1# Charmm Parameters from CHARMM22 2# 3# Radius and epsilon from par_all27_prot_na.prm 4# Charges from par_all27_prot_na.prm 5# 6# V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6] 7# 8# epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j) 9# Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j 10# 11ALA N -0.47 1.850000 NH1 12ALA HN 0.31 0.224500 H 13ALA CA 0.07 2.275000 CT1 14ALA HA 0.09 1.320000 HB 15ALA CB -0.27 2.060000 CT3 16ALA HB1 0.09 1.320000 HA 17ALA HB2 0.09 1.320000 HA 18ALA HB3 0.09 1.320000 HA 19ALA C 0.51 2.000000 C 20ALA O -0.51 1.700000 O 21ARG N -0.47 1.850000 NH1 22ARG HN 0.31 0.224500 H 23ARG CA 0.07 2.275000 CT1 24ARG HA 0.09 1.320000 HB 25ARG CB -0.18 2.175000 CT2 26ARG HB1 0.09 1.320000 HA 27ARG HB2 0.09 1.320000 HA 28ARG CG -0.18 2.175000 CT2 29ARG HG1 0.09 1.320000 HA 30ARG HG2 0.09 1.320000 HA 31ARG CD 0.20 2.175000 CT2 32ARG HD1 0.09 1.320000 HA 33ARG HD2 0.09 1.320000 HA 34ARG NE -0.70 1.850000 NC2 35ARG HE 0.44 0.224500 HC 36ARG CZ 0.64 2.000000 C 37ARG NH1 -0.80 1.850000 NC2 38ARG HH11 0.46 0.224500 HC 39ARG HH12 0.46 0.224500 HC 40ARG NH2 -0.80 1.850000 NC2 41ARG HH21 0.46 0.224500 HC 42ARG HH22 0.46 0.224500 HC 43ARG C 0.51 2.000000 C 44ARG O -0.51 1.700000 O 45ASN N -0.47 1.850000 NH1 46ASN HN 0.31 0.224500 H 47ASN CA 0.07 2.275000 CT1 48ASN HA 0.09 1.320000 HB 49ASN CB -0.18 2.175000 CT2 50ASN HB1 0.09 1.320000 HA 51ASN HB2 0.09 1.320000 HA 52ASN CG 0.55 2.000000 CC 53ASN OD1 -0.55 1.700000 O 54ASN ND2 -0.62 1.850000 NH2 55ASN HD21 0.32 0.224500 H 56ASN HD22 0.30 0.224500 H 57ASN C 0.51 2.000000 C 58ASN O -0.51 1.700000 O 59ASP N -0.47 1.850000 NH1 60ASP HN 0.31 0.224500 H 61ASP CA 0.07 2.275000 CT1 62ASP HA 0.09 1.320000 HB 63ASP CB -0.28 2.175000 CT2 64ASP HB1 0.09 1.320000 HA 65ASP HB2 0.09 1.320000 HA 66ASP CG 0.62 2.000000 CC 67ASP OD1 -0.76 1.700000 OC 68ASP OD2 -0.76 1.700000 OC 69ASP C 0.51 2.000000 C 70ASP O -0.51 1.700000 O 71CYS N -0.47 1.850000 NH1 72CYS HN 0.31 0.224500 H 73CYS CA 0.07 2.275000 CT1 74CYS HA 0.09 1.320000 HB 75CYS CB -0.11 2.175000 CT2 76CYS HB1 0.09 1.320000 HA 77CYS HB2 0.09 1.320000 HA 78CYS SG -0.23 2.000000 S 79CYS HG1 0.16 0.450000 HS 80CYS C 0.51 2.000000 C 81CYS O -0.51 1.700000 O 82GLN N -0.47 1.850000 NH1 83GLN HN 0.31 0.224500 H 84GLN CA 0.07 2.275000 CT1 85GLN HA 0.09 1.320000 HB 86GLN CB -0.18 2.175000 CT2 87GLN HB1 0.09 1.320000 HA 88GLN HB2 0.09 1.320000 HA 89GLN CG -0.18 2.175000 CT2 90GLN HG1 0.09 1.320000 HA 91GLN HG2 0.09 1.320000 HA 92GLN CD 0.55 2.000000 CC 93GLN OE1 -0.55 1.700000 O 94GLN NE2 -0.62 1.850000 NH2 95GLN HE21 0.32 0.224500 H 96GLN HE22 0.30 0.224500 H 97GLN C 0.51 2.000000 C 98GLN O -0.51 1.700000 O 99GLU N -0.47 1.850000 NH1 100GLU HN 0.31 0.224500 H 101GLU CA 0.07 2.275000 CT1 102GLU HA 0.09 1.320000 HB 103GLU CB -0.18 2.175000 CT2 104GLU HB1 0.09 1.320000 HA 105GLU HB2 0.09 1.320000 HA 106GLU CG -0.28 2.175000 CT2 107GLU HG1 0.09 1.320000 HA 108GLU HG2 0.09 1.320000 HA 109GLU CD 0.62 2.000000 CC 110GLU OE1 -0.76 1.700000 OC 111GLU OE2 -0.76 1.700000 OC 112GLU C 0.51 2.000000 C 113GLU O -0.51 1.700000 O 114GLY N -0.47 1.850000 NH1 115GLY HN 0.31 0.224500 H 116GLY CA -0.02 2.175000 CT2 117GLY HA1 0.09 1.320000 HB 118GLY HA2 0.09 1.320000 HB 119GLY C 0.51 2.000000 C 120GLY O -0.51 1.700000 O 121HSD N -0.47 1.850000 NH1 122HSD HN 0.31 0.224500 H 123HSD CA 0.07 2.275000 CT1 124HSD HA 0.09 1.320000 HB 125HSD CB -0.09 2.175000 CT2 126HSD HB1 0.09 1.320000 HA 127HSD HB2 0.09 1.320000 HA 128HSD ND1 -0.36 1.850000 NR1 129HSD HD1 0.32 0.224500 H 130HSD CG -0.05 1.800000 CPH1 131HSD CE1 0.25 1.800000 CPH2 132HSD HE1 0.13 0.900000 HR1 133HSD NE2 -0.70 1.850000 NR2 134HSD CD2 0.22 1.800000 CPH1 135HSD HD2 0.10 1.468000 HR3 136HSD C 0.51 2.000000 C 137HSD O -0.51 1.700000 O 138HSE N -0.47 1.850000 NH1 139HSE HN 0.31 0.224500 H 140HSE CA 0.07 2.275000 CT1 141HSE HA 0.09 1.320000 HB 142HSE CB -0.08 2.175000 CT2 143HSE HB1 0.09 1.320000 HA 144HSE HB2 0.09 1.320000 HA 145HSE ND1 -0.70 1.850000 NR2 146HSE CG 0.22 1.800000 CPH1 147HSE CE1 0.25 1.800000 CPH2 148HSE HE1 0.13 0.900000 HR1 149HSE NE2 -0.36 1.850000 NR1 150HSE HE2 0.32 0.224500 H 151HSE CD2 -0.05 1.800000 CPH1 152HSE HD2 0.09 1.468000 HR3 153HSE C 0.51 2.000000 C 154HSE O -0.51 1.700000 O 155HSP N -0.47 1.850000 NH1 156HSP HN 0.31 0.224500 H 157HSP CA 0.07 2.275000 CT1 158HSP HA 0.09 1.320000 HB 159HSP CB -0.05 2.175000 CT2 160HSP HB1 0.09 1.320000 HA 161HSP HB2 0.09 1.320000 HA 162HSP CD2 0.19 1.800000 CPH1 163HSP HD2 0.13 0.900000 HR1 164HSP CG 0.19 1.800000 CPH1 165HSP NE2 -0.51 1.850000 NR3 166HSP HE2 0.44 0.224500 H 167HSP ND1 -0.51 1.850000 NR3 168HSP HD1 0.44 0.224500 H 169HSP CE1 0.32 1.800000 CPH2 170HSP HE1 0.18 0.700000 HR2 171HSP C 0.51 2.000000 C 172HSP O -0.51 1.700000 O 173ILE N -0.47 1.850000 NH1 174ILE HN 0.31 0.224500 H 175ILE CA 0.07 2.275000 CT1 176ILE HA 0.09 1.320000 HB 177ILE CB -0.09 2.275000 CT1 178ILE HB 0.09 1.320000 HA 179ILE CG2 -0.27 2.060000 CT3 180ILE HG21 0.09 1.320000 HA 181ILE HG22 0.09 1.320000 HA 182ILE HG23 0.09 1.320000 HA 183ILE CG1 -0.18 2.175000 CT2 184ILE HG11 0.09 1.320000 HA 185ILE HG12 0.09 1.320000 HA 186ILE CD -0.27 2.060000 CT3 187ILE HD1 0.09 1.320000 HA 188ILE HD2 0.09 1.320000 HA 189ILE HD3 0.09 1.320000 HA 190ILE C 0.51 2.000000 C 191ILE O -0.51 1.700000 O 192LEU N -0.47 1.850000 NH1 193LEU HN 0.31 0.224500 H 194LEU CA 0.07 2.275000 CT1 195LEU HA 0.09 1.320000 HB 196LEU CB -0.18 2.175000 CT2 197LEU HB1 0.09 1.320000 HA 198LEU HB2 0.09 1.320000 HA 199LEU CG -0.09 2.275000 CT1 200LEU HG 0.09 1.320000 HA 201LEU CD1 -0.27 2.060000 CT3 202LEU HD11 0.09 1.320000 HA 203LEU HD12 0.09 1.320000 HA 204LEU HD13 0.09 1.320000 HA 205LEU CD2 -0.27 2.060000 CT3 206LEU HD21 0.09 1.320000 HA 207LEU HD22 0.09 1.320000 HA 208LEU HD23 0.09 1.320000 HA 209LEU C 0.51 2.000000 C 210LEU O -0.51 1.700000 O 211LYS N -0.47 1.850000 NH1 212LYS HN 0.31 0.224500 H 213LYS CA 0.07 2.275000 CT1 214LYS HA 0.09 1.320000 HB 215LYS CB -0.18 2.175000 CT2 216LYS HB1 0.09 1.320000 HA 217LYS HB2 0.09 1.320000 HA 218LYS CG -0.18 2.175000 CT2 219LYS HG1 0.09 1.320000 HA 220LYS HG2 0.09 1.320000 HA 221LYS CD -0.18 2.175000 CT2 222LYS HD1 0.09 1.320000 HA 223LYS HD2 0.09 1.320000 HA 224LYS CE 0.21 2.175000 CT2 225LYS HE1 0.05 1.320000 HA 226LYS HE2 0.05 1.320000 HA 227LYS NZ -0.30 1.850000 NH3 228LYS HZ1 0.33 0.224500 HC 229LYS HZ2 0.33 0.224500 HC 230LYS HZ3 0.33 0.224500 HC 231LYS C 0.51 2.000000 C 232LYS O -0.51 1.700000 O 233MET N -0.47 1.850000 NH1 234MET HN 0.31 0.224500 H 235MET CA 0.07 2.275000 CT1 236MET HA 0.09 1.320000 HB 237MET CB -0.18 2.175000 CT2 238MET HB1 0.09 1.320000 HA 239MET HB2 0.09 1.320000 HA 240MET CG -0.14 2.175000 CT2 241MET HG1 0.09 1.320000 HA 242MET HG2 0.09 1.320000 HA 243MET SD -0.09 2.000000 S 244MET CE -0.22 2.060000 CT3 245MET HE1 0.09 1.320000 HA 246MET HE2 0.09 1.320000 HA 247MET HE3 0.09 1.320000 HA 248MET C 0.51 2.000000 C 249MET O -0.51 1.700000 O 250PHE N -0.47 1.850000 NH1 251PHE HN 0.31 0.224500 H 252PHE CA 0.07 2.275000 CT1 253PHE HA 0.09 1.320000 HB 254PHE CB -0.18 2.175000 CT2 255PHE HB1 0.09 1.320000 HA 256PHE HB2 0.09 1.320000 HA 257PHE CG 0.00 1.992400 CA 258PHE CD1 -0.115 1.992400 CA 259PHE HD1 0.115 1.358200 HP 260PHE CE1 -0.115 1.992400 CA 261PHE HE1 0.115 1.358200 HP 262PHE CZ -0.115 1.992400 CA 263PHE HZ 0.115 1.358200 HP 264PHE CD2 -0.115 1.992400 CA 265PHE HD2 0.115 1.358200 HP 266PHE CE2 -0.115 1.992400 CA 267PHE HE2 0.115 1.358200 HP 268PHE C 0.51 2.000000 C 269PHE O -0.51 1.700000 O 270PRO N -0.29 1.850000 N 271PRO CD 0.00 2.175000 CP3 272PRO HD1 0.09 1.320000 HA 273PRO HD2 0.09 1.320000 HA 274PRO CA 0.02 2.275000 CP1 275PRO HA 0.09 1.320000 HB 276PRO CB -0.18 2.175000 CP2 277PRO HB1 0.09 1.320000 HA 278PRO HB2 0.09 1.320000 HA 279PRO CG -0.18 2.175000 CP2 280PRO HG1 0.09 1.320000 HA 281PRO HG2 0.09 1.320000 HA 282PRO C 0.51 2.000000 C 283PRO O -0.51 1.700000 O 284SER N -0.47 1.850000 NH1 285SER HN 0.31 0.224500 H 286SER CA 0.07 2.275000 CT1 287SER HA 0.09 1.320000 HB 288SER CB 0.05 2.175000 CT2 289SER HB1 0.09 1.320000 HA 290SER HB2 0.09 1.320000 HA 291SER OG -0.66 1.770000 OH1 292SER HG1 0.43 0.224500 H 293SER C 0.51 2.000000 C 294SER O -0.51 1.700000 O 295THR N -0.47 1.850000 NH1 296THR HN 0.31 0.224500 H 297THR CA 0.07 2.275000 CT1 298THR HA 0.09 1.320000 HB 299THR CB 0.14 2.275000 CT1 300THR HB 0.09 1.320000 HA 301THR OG1 -0.66 1.770000 OH1 302THR HG1 0.43 0.224500 H 303THR CG2 -0.27 2.060000 CT3 304THR HG21 0.09 1.320000 HA 305THR HG22 0.09 1.320000 HA 306THR HG23 0.09 1.320000 HA 307THR C 0.51 2.000000 C 308THR O -0.51 1.700000 O 309TRP N -0.47 1.850000 NH1 310TRP HN 0.31 0.224500 H 311TRP CA 0.07 2.275000 CT1 312TRP HA 0.09 1.320000 HB 313TRP CB -0.18 2.175000 CT2 314TRP HB1 0.09 1.320000 HA 315TRP HB2 0.09 1.320000 HA 316TRP CG -0.03 1.992400 CY 317TRP CD1 0.035 1.992400 CA 318TRP HD1 0.115 1.358200 HP 319TRP NE1 -0.61 1.850000 NY 320TRP HE1 0.38 0.224500 H 321TRP CE2 0.13 1.800000 CPT 322TRP CD2 -0.02 1.800000 CPT 323TRP CE3 -0.115 1.992400 CA 324TRP HE3 0.115 1.358200 HP 325TRP CZ3 -0.115 1.992400 CA 326TRP HZ3 0.115 1.358200 HP 327TRP CZ2 -0.115 1.992400 CA 328TRP HZ2 0.115 1.358200 HP 329TRP CH2 -0.115 1.992400 CA 330TRP HH2 0.115 1.358200 HP 331TRP C 0.51 2.000000 C 332TRP O -0.51 1.700000 O 333TYR N -0.47 1.850000 NH1 334TYR HN 0.31 0.224500 H 335TYR CA 0.07 2.275000 CT1 336TYR HA 0.09 1.320000 HB 337TYR CB -0.18 2.175000 CT2 338TYR HB1 0.09 1.320000 HA 339TYR HB2 0.09 1.320000 HA 340TYR CG 0.00 1.992400 CA 341TYR CD1 -0.115 1.992400 CA 342TYR HD1 0.115 1.358200 HP 343TYR CE1 -0.115 1.992400 CA 344TYR HE1 0.115 1.358200 HP 345TYR CZ 0.11 1.992400 CA 346TYR OH -0.54 1.770000 OH1 347TYR HH 0.43 0.224500 H 348TYR CD2 -0.115 1.992400 CA 349TYR HD2 0.115 1.358200 HP 350TYR CE2 -0.115 1.992400 CA 351TYR HE2 0.115 1.358200 HP 352TYR C 0.51 2.000000 C 353TYR O -0.51 1.700000 O 354VAL N -0.47 1.850000 NH1 355VAL HN 0.31 0.224500 H 356VAL CA 0.07 2.275000 CT1 357VAL HA 0.09 1.320000 HB 358VAL CB -0.09 2.275000 CT1 359VAL HB 0.09 1.320000 HA 360VAL CG1 -0.27 2.060000 CT3 361VAL HG11 0.09 1.320000 HA 362VAL HG12 0.09 1.320000 HA 363VAL HG13 0.09 1.320000 HA 364VAL CG2 -0.27 2.060000 CT3 365VAL HG21 0.09 1.320000 HA 366VAL HG22 0.09 1.320000 HA 367VAL HG23 0.09 1.320000 HA 368VAL C 0.51 2.000000 C 369VAL O -0.51 1.700000 O 370TIP3 OH2 -0.834 1.768200 OT 371TIP3 H1 0.417 0.224500 HT 372TIP3 H2 0.417 0.224500 HT 373TP3M OH2 -0.834 1.768200 OT 374TP3M H1 0.417 0.224500 HT 375TP3M H2 0.417 0.224500 HT 376CAL CAL 2.00 1.367 CAL 377ZN2 ZN 2.00 1.090000 ZN 378HEME FE 0.24 0.650000 FE 379HEME NA -0.18 1.850000 NPH 380HEME NB -0.18 1.850000 NPH 381HEME NC -0.18 1.850000 NPH 382HEME ND -0.18 1.850000 NPH 383HEME C1A 0.12 1.800000 CPA 384HEME C2A -0.06 1.800000 CPB 385HEME C3A -0.06 1.800000 CPB 386HEME C4A 0.12 1.800000 CPA 387HEME C1B 0.12 1.800000 CPA 388HEME C2B -0.06 1.800000 CPB 389HEME C3B -0.06 1.800000 CPB 390HEME C4B 0.12 1.800000 CPA 391HEME C1C 0.12 1.800000 CPA 392HEME C2C -0.06 1.800000 CPB 393HEME C3C -0.06 1.800000 CPB 394HEME C4C 0.12 1.800000 CPA 395HEME C1D 0.12 1.800000 CPA 396HEME C2D -0.06 1.800000 CPB 397HEME C3D -0.06 1.800000 CPB 398HEME C4D 0.12 1.800000 CPA 399HEME CHA -0.10 1.800000 CPM 400HEME HA 0.10 1.320000 HA 401HEME CHB -0.10 1.800000 CPM 402HEME HB 0.10 1.320000 HA 403HEME CHC -0.10 1.800000 CPM 404HEME HC 0.10 1.320000 HA 405HEME CHD -0.10 1.800000 CPM 406HEME HD 0.10 1.320000 HA 407HEME CMA -0.27 2.060000 CT3 408HEME HMA1 0.09 1.320000 HA 409HEME HMA2 0.09 1.320000 HA 410HEME HMA3 0.09 1.320000 HA 411HEME CAA -0.18 2.175000 CT2 412HEME HAA1 0.09 1.320000 HA 413HEME HAA2 0.09 1.320000 HA 414HEME CBA -0.28 2.175000 CT2 415HEME HBA1 0.09 1.320000 HA 416HEME HBA2 0.09 1.320000 HA 417HEME CGA 0.62 2.000000 CC 418HEME O1A -0.76 1.700000 OC 419HEME O2A -0.76 1.700000 OC 420HEME CMB -0.27 2.060000 CT3 421HEME HMB1 0.09 1.320000 HA 422HEME HMB2 0.09 1.320000 HA 423HEME HMB3 0.09 1.320000 HA 424HEME CAB -0.20 2.000000 C 425HEME HAB 0.20 1.320000 HA 426HEME CBB -0.20 2.000000 C 427HEME HBB1 0.10 1.320000 HA 428HEME HBB2 0.10 1.320000 HA 429HEME CMC -0.27 2.060000 CT3 430HEME HMC1 0.09 1.320000 HA 431HEME HMC2 0.09 1.320000 HA 432HEME HMC3 0.09 1.320000 HA 433HEME CAC -0.20 2.000000 C 434HEME HAC 0.20 1.320000 HA 435HEME CBC -0.20 2.000000 C 436HEME HBC1 0.10 1.320000 HA 437HEME HBC2 0.10 1.320000 HA 438HEME CMD -0.27 2.060000 CT3 439HEME HMD1 0.09 1.320000 HA 440HEME HMD2 0.09 1.320000 HA 441HEME HMD3 0.09 1.320000 HA 442HEME CAD -0.18 2.175000 CT2 443HEME HAD1 0.09 1.320000 HA 444HEME HAD2 0.09 1.320000 HA 445HEME CBD -0.28 2.175000 CT2 446HEME HBD1 0.09 1.320000 HA 447HEME HBD2 0.09 1.320000 HA 448HEME CGD 0.62 2.000000 CC 449HEME O1D -0.76 1.700000 OC 450HEME O2D -0.76 1.700000 OC 451NTER N -0.30 1.850000 NH3 452NTER HT1 0.33 0.224500 HC 453NTER HT2 0.33 0.224500 HC 454NTER HT3 0.33 0.224500 HC 455NTER CA 0.21 2.275000 CT1 456NTER HA 0.10 1.320000 HB 457GLYP N -0.30 1.850000 NH3 458GLYP HT1 0.33 0.224500 HC 459GLYP HT2 0.33 0.224500 HC 460GLYP HT3 0.33 0.224500 HC 461GLYP CA 0.13 2.175000 CT2 462GLYP HA1 0.09 1.320000 HB 463GLYP HA2 0.09 1.320000 HB 464PROP N -0.07 1.850000 NP 465PROP HN1 0.24 0.224500 HC 466PROP HN2 0.24 0.224500 HC 467PROP CD 0.16 2.175000 CP3 468PROP HD1 0.09 1.320000 HA 469PROP HD2 0.09 1.320000 HA 470PROP CA 0.16 2.275000 CP1 471PROP HA 0.09 1.320000 HB 472ACE CAY -0.27 2.060000 CT3 473ACE HY1 0.09 1.320000 HA 474ACE HY2 0.09 1.320000 HA 475ACE HY3 0.09 1.320000 HA 476ACE CY 0.51 2.000000 C 477ACE OY -0.51 1.700000 O 478ACP CAY -0.27 2.060000 CT3 479ACP HY1 0.09 1.320000 HA 480ACP HY2 0.09 1.320000 HA 481ACP HY3 0.09 1.320000 HA 482ACP CY 0.51 2.000000 C 483ACP OY -0.51 1.700000 O 484CTER C 0.34 2.000000 CC 485CTER OT1 -0.67 1.700000 OC 486CTER OT2 -0.67 1.700000 OC 487CT1 N -0.47 1.850000 NH1 488CT1 HN 0.31 0.224500 H 489CT1 CA 0.17 2.275000 CT1 490CT1 HA 0.09 1.320000 HB 491CT1 C 0.63 2.000000 CD 492CT1 OT1 -0.52 1.700000 OB 493CT1 OT2 -0.34 1.770000 OS 494CT1 CT -0.14 2.060000 CT3 495CT1 HT1 0.09 1.320000 HA 496CT1 HT2 0.09 1.320000 HA 497CT1 HT3 0.09 1.320000 HA 498CT2 C 0.55 2.000000 CC 499CT2 O -0.55 1.700000 O 500CT2 NT -0.62 1.850000 NH2 501CT2 HT1 0.32 0.224500 H 502CT2 HT2 0.30 0.224500 H 503CT3 C 0.51 2.000000 C 504CT3 O -0.51 1.700000 O 505CT3 NT -0.47 1.850000 NH1 506CT3 HNT 0.31 0.224500 H 507CT3 CAT -0.11 2.060000 CT3 508CT3 HT1 0.09 1.320000 HA 509CT3 HT2 0.09 1.320000 HA 510CT3 HT3 0.09 1.320000 HA 511ASPP CB -0.21 2.175000 CT2 512ASPP HB1 0.09 1.320000 HA 513ASPP HB2 0.09 1.320000 HA 514ASPP CG 0.75 2.000000 CD 515ASPP OD1 -0.55 1.700000 OB 516ASPP OD2 -0.61 1.770000 OH1 517ASPP HD2 0.44 0.224500 H 518GLUP CG -0.21 2.175000 CT2 519GLUP HG1 0.09 1.320000 HA 520GLUP HG2 0.09 1.320000 HA 521GLUP CD 0.75 2.000000 CD 522GLUP OE1 -0.55 1.700000 OB 523GLUP OE2 -0.61 1.770000 OH1 524GLUP HE2 0.44 0.224500 H 525DISU 1CB -0.10 2.175000 CT2 526DISU 1SG -0.08 1.975000 SM 527DISU 2SG -0.08 1.975000 SM 528DISU 2CB -0.10 2.175000 CT2 529HS2 CE1 0.25 1.800000 CPH2 530HS2 HE1 0.13 0.900000 HR1 531HS2 ND1 -0.70 1.850000 NR2 532HS2 CG 0.22 1.800000 CPH1 533HS2 CB -0.08 2.175000 CT2 534HS2 HB1 0.09 1.320000 HA 535HS2 HB2 0.09 1.320000 HA 536HS2 NE2 -0.36 1.850000 NR1 537HS2 HE2 0.32 0.224500 H 538HS2 CD2 -0.05 1.800000 CPH1 539HS2 HD2 0.09 1.468000 HR3 540O2 O1 0.021 1.700000 OM 541O2 O2 -0.021 1.700000 OM 542CO C 0.021 2.100000 CM 543CO O -0.021 1.700000 OM 544DUM DUM 0.00 0.000000 DUM 545TP1 CE1 -0.21 1.992400 CA 546TP1 HE1 0.21 1.358200 HP 547TP1 CE2 -0.21 1.992400 CA 548TP1 HE2 0.21 1.358200 HP 549TP1 CZ -0.16 1.992400 CA 550TP1 OH -0.36 1.77 ON2b 551TP1 P1 1.40 2.15 P 552TP1 O2 -0.76 1.77 ON4 553TP1 H2 0.40 0.2245 HN4 554TP1 O3 -0.76 1.70 ON3 555TP1 O4 -0.76 1.70 ON3 556TP1A CG -0.115 1.992400 CA 557TP1A HG 0.115 1.358200 HP 558TP1A CE1 -0.21 1.992400 CA 559TP1A HE1 0.21 1.358200 HP 560TP1A CE2 -0.21 1.992400 CA 561TP1A HE2 0.21 1.358200 HP 562TP1A CZ -0.16 1.992400 CA 563TP1A OH -0.36 1.77 ON2B 564TP1A P1 1.40 2.15 P 565TP1A O2 -0.76 1.77 ON4 566TP1A H2 0.40 0.2245 HN4 567TP1A O3 -0.76 1.70 ON3 568TP1A O4 -0.76 1.70 ON3 569TP2 CE1 -0.21 1.992400 CA 570TP2 HE1 0.21 1.358200 HP 571TP2 CE2 -0.21 1.992400 CA 572TP2 HE2 0.21 1.358200 HP 573TP2 CZ -0.28 1.992400 CA 574TP2 OH -0.28 1.77 ON2B 575TP2 P1 1.44 2.15 P 576TP2 O2 -0.96 1.70 ON3 577TP2 O3 -0.96 1.70 ON3 578TP2 O4 -0.96 1.70 ON3 579TP2A CG -0.115 1.992400 CA 580TP2A HG 0.115 1.358200 HP 581TP2A CE1 -0.21 1.992400 CA 582TP2A HE1 0.21 1.358200 HP 583TP2A CE2 -0.21 1.992400 CA 584TP2A HE2 0.21 1.358200 HP 585TP2A CZ -0.28 1.992400 CA 586TP2A OH -0.28 1.77 ON2B 587TP2A P1 1.44 2.15 P 588TP2A O2 -0.96 1.70 ON3 589TP2A O3 -0.96 1.70 ON3 590TP2A O4 -0.96 1.70 ON3 591GUA P 1.50 2.15 P 592GUA O1P -0.78 1.70 ON3 593GUA O2P -0.78 1.70 ON3 594GUA O5' -0.57 1.77 ON2 595GUA C5' -0.08 2.010 CN8B 596GUA H5' 0.09 1.3400 HN8 597GUA H5'' 0.09 1.3400 HN8 598GUA C4' 0.16 2.275 CN7 599GUA H4' 0.09 1.3200 HN7 600GUA O4' -0.50 1.77 ON6B 601GUA C1' 0.16 2.275 CN7B 602GUA H1' 0.09 1.3200 HN7 603GUA N9 -0.02 1.85 NN2B 604GUA C4 0.26 1.9000 CN5 605GUA N2 -0.68 1.85 NN1 606GUA H21 0.32 0.2245 HN1 607GUA H22 0.35 0.2245 HN1 608GUA N3 -0.74 1.85 NN3G 609GUA C2 0.75 1.9000 CN2 610GUA N1 -0.34 1.85 NN2G 611GUA H1 0.26 0.2245 HN2 612GUA C6 0.54 1.9000 CN1 613GUA O6 -0.51 1.70 ON1 614GUA C5 0.00 1.9000 CN5G 615GUA N7 -0.60 1.85 NN4 616GUA C8 0.25 1.9000 CN4 617GUA H8 0.16 1.1000 HN3 618GUA C2' 0.14 2.275 CN7B 619GUA H2'' 0.09 1.3200 HN7 620GUA O2' -0.66 1.77 ON5 621GUA H2' 0.43 0.2245 HN5 622GUA C3' 0.01 2.275 CN7 623GUA H3' 0.09 1.3200 HN7 624GUA O3' -0.57 1.77 ON2 625ADE P 1.50 2.15 P 626ADE O1P -0.78 1.70 ON3 627ADE O2P -0.78 1.70 ON3 628ADE O5' -0.57 1.77 ON2 629ADE C5' -0.08 2.010 CN8B 630ADE H5' 0.09 1.3400 HN8 631ADE H5'' 0.09 1.3400 HN8 632ADE C4' 0.16 2.275 CN7 633ADE H4' 0.09 1.3200 HN7 634ADE O4' -0.50 1.77 ON6B 635ADE C1' 0.16 2.275 CN7B 636ADE H1' 0.09 1.3200 HN7 637ADE N9 -0.05 1.85 NN2 638ADE C5 0.28 1.9000 CN5 639ADE N7 -0.71 1.85 NN4 640ADE C8 0.34 1.9000 CN4 641ADE H8 0.12 1.1000 HN3 642ADE N1 -0.74 1.85 NN3A 643ADE C2 0.50 1.9000 CN4 644ADE H2 0.13 1.1000 HN3 645ADE N3 -0.75 1.85 NN3A 646ADE C4 0.43 1.9000 CN5 647ADE C6 0.46 1.9000 CN2 648ADE N6 -0.77 1.85 NN1 649ADE H61 0.38 0.2245 HN1 650ADE H62 0.38 0.2245 HN1 651ADE C2' 0.14 2.275 CN7B 652ADE H2'' 0.09 1.3200 HN7 653ADE O2' -0.66 1.77 ON5 654ADE H2' 0.43 0.2245 HN5 655ADE C3' 0.01 2.275 CN7 656ADE H3' 0.09 1.3200 HN7 657ADE O3' -0.57 1.77 ON2 658CYT P 1.50 2.15 P 659CYT O1P -0.78 1.70 ON3 660CYT O2P -0.78 1.70 ON3 661CYT O5' -0.57 1.77 ON2 662CYT C5' -0.08 2.010 CN8B 663CYT H5' 0.09 1.3400 HN8 664CYT H5'' 0.09 1.3400 HN8 665CYT C4' 0.16 2.275 CN7 666CYT H4' 0.09 1.3200 HN7 667CYT O4' -0.50 1.77 ON6B 668CYT C1' 0.16 2.275 CN7B 669CYT H1' 0.09 1.3200 HN7 670CYT N1 -0.13 1.85 NN2 671CYT C6 0.05 1.9000 CN3 672CYT H6 0.17 1.1000 HN3 673CYT C5 -0.13 1.9000 CN3 674CYT H5 0.07 1.1000 HN3 675CYT C2 0.52 1.9000 CN1 676CYT O2 -0.49 1.70 ON1C 677CYT N3 -0.66 1.85 NN3 678CYT C4 0.65 1.9000 CN2 679CYT N4 -0.75 1.85 NN1 680CYT H41 0.37 0.2245 HN1 681CYT H42 0.33 0.2245 HN1 682CYT C2' 0.14 2.275 CN7B 683CYT H2'' 0.09 1.3200 HN7 684CYT O2' -0.66 1.77 ON5 685CYT H2' 0.43 0.2245 HN5 686CYT C3' 0.01 2.275 CN7 687CYT H3' 0.09 1.3200 HN7 688CYT O3' -0.57 1.77 ON2 689THY P 1.50 2.15 P 690THY O1P -0.78 1.70 ON3 691THY O2P -0.78 1.70 ON3 692THY O5' -0.57 1.77 ON2 693THY C5' -0.08 2.010 CN8B 694THY H5' 0.09 1.3400 HN8 695THY H5'' 0.09 1.3400 HN8 696THY C4' 0.16 2.275 CN7 697THY H4' 0.09 1.3200 HN7 698THY O4' -0.50 1.77 ON6B 699THY C1' 0.16 2.275 CN7B 700THY H1' 0.09 1.3200 HN7 701THY N1 -0.34 1.85 NN2B 702THY C6 0.17 1.9000 CN3 703THY H6 0.17 1.1000 HN3 704THY C2 0.51 1.9000 CN1T 705THY O2 -0.41 1.70 ON1 706THY N3 -0.46 1.85 NN2U 707THY H3 0.36 0.2245 HN2 708THY C4 0.50 1.9000 CN1 709THY O4 -0.45 1.70 ON1 710THY C5 -0.15 1.9000 CN3T 711THY C5M -0.11 2.040 CN9 712THY H51 0.07 1.3400 HN9 713THY H52 0.07 1.3400 HN9 714THY H53 0.07 1.3400 HN9 715THY C2' 0.14 2.275 CN7B 716THY H2'' 0.09 1.3200 HN7 717THY O2' -0.66 1.77 ON5 718THY H2' 0.43 0.2245 HN5 719THY C3' 0.01 2.275 CN7 720THY H3' 0.09 1.3200 HN7 721THY O3' -0.57 1.77 ON2 722URA P 1.50 2.15 P 723URA O1P -0.78 1.70 ON3 724URA O2P -0.78 1.70 ON3 725URA O5' -0.57 1.77 ON2 726URA C5' -0.08 2.010 CN8B 727URA H5' 0.09 1.3400 HN8 728URA H5'' 0.09 1.3400 HN8 729URA C4' 0.16 2.275 CN7 730URA H4' 0.09 1.3200 HN7 731URA O4' -0.50 1.77 ON6B 732URA C1' 0.16 2.275 CN7B 733URA H1' 0.09 1.3200 HN7 734URA N1 -0.34 1.85 NN2B 735URA C6 0.20 1.9000 CN3 736URA H6 0.14 1.1000 HN3 737URA C2 0.55 1.9000 CN1T 738URA O2 -0.45 1.70 ON1 739URA N3 -0.46 1.85 NN2U 740URA H3 0.36 0.2245 HN2 741URA C4 0.53 1.9000 CN1 742URA O4 -0.48 1.70 ON1 743URA C5 -0.15 1.9000 CN3 744URA H5 0.10 1.1000 HN3 745URA C2' 0.14 2.275 CN7B 746URA H2'' 0.09 1.3200 HN7 747URA O2' -0.66 1.77 ON5 748URA H2' 0.43 0.2245 HN5 749URA C3' 0.01 2.275 CN7 750URA H3' 0.09 1.3200 HN7 751URA O3' -0.57 1.77 ON2 752DMPA P1 1.500 2.15 P 753DMPA O3 -0.780 1.70 ON3 754DMPA O4 -0.780 1.70 ON3 755DMPA O1 -0.570 1.77 ON2 756DMPA O2 -0.570 1.77 ON2 757DMPA C1 -0.170 2.040 CN9 758DMPA H11 0.090 1.3400 HN9 759DMPA H12 0.090 1.3400 HN9 760DMPA H13 0.090 1.3400 HN9 761DMPA C2 -0.170 2.040 CN9 762DMPA H21 0.090 1.3400 HN9 763DMPA H22 0.090 1.3400 HN9 764DMPA H23 0.090 1.3400 HN9 765MP_0 C1 -0.17 2.040 CN9 766MP_0 O1 -0.56 1.77 ON2 767MP_0 P1 1.50 2.15 P 768MP_0 O2 -0.63 1.77 ON4 769MP_0 O3 -0.63 1.77 ON4 770MP_0 O4 -0.64 1.70 ON3 771MP_0 H11 0.09 1.3400 HN9 772MP_0 H12 0.09 1.3400 HN9 773MP_0 H13 0.09 1.3400 HN9 774MP_0 H2 0.43 0.2245 HN4 775MP_0 H3 0.43 0.2245 HN4 776MP_1 C1 -0.170 2.040 CN9 777MP_1 O1 -0.620 1.77 ON2 778MP_1 P1 1.500 2.15 P 779MP_1 O2 -0.680 1.77 ON4 780MP_1 O3 -0.820 1.70 ON3 781MP_1 O4 -0.820 1.70 ON3 782MP_1 H11 0.090 1.3400 HN9 783MP_1 H12 0.090 1.3400 HN9 784MP_1 H13 0.090 1.3400 HN9 785MP_1 H2 0.340 0.2245 HN4 786MP_2 P1 1.100 2.15 P 787MP_2 O1 -0.400 1.77 ON2 788MP_2 O2 -0.900 1.70 ON3 789MP_2 O3 -0.900 1.70 ON3 790MP_2 O4 -0.900 1.70 ON3 791MP_2 C1 -0.270 2.040 CN9 792MP_2 H11 0.090 1.3400 HN9 793MP_2 H12 0.090 1.3400 HN9 794MP_2 H13 0.090 1.3400 HN9 795SOD SOD 1.00 1.36375 SOD 796MG MG 2.00 1.18500 MG 797POT POT 1.00 1.76375 POT 798CES CES 1.00 2.100 CES 799CAL CAL 2.00 1.367 CAL 800CLA CLA -1.00 2.27 CLA 801DEO1 C4' 0.16 2.275 CN7 802DEO1 H4' 0.09 1.3200 HN7 803DEO1 O4' -0.50 1.77 ON6 804DEO1 C1' 0.16 2.275 CN7B 805DEO1 H1' 0.09 1.3200 HN7 806DEO1 C2' -0.18 2.010 CN8 807DEO1 H2' 0.09 1.3400 HN8 808DEO1 H2'' 0.09 1.3400 HN8 809DEO2 C4' 0.16 2.275 CN7 810DEO2 H4' 0.09 1.3200 HN7 811DEO2 O4' -0.50 1.77 ON6 812DEO2 C1' 0.16 2.275 CN7B 813DEO2 H1' 0.09 1.3200 HN7 814DEO2 C2' -0.18 2.010 CN8 815DEO2 H2' 0.09 1.3400 HN8 816DEO2 H2'' 0.09 1.3400 HN8 817PYRC N1 -0.50 1.85 NN2 818PYRC H1 0.37 0.2245 HN2 819PYRC C6 0.05 1.9000 CN3 820PYRC H6 0.17 1.1000 HN3 821PYRC C2 0.52 1.9000 CN1 822PYRC O2 -0.49 1.70 ON1C 823PYRC N3 -0.66 1.85 NN3 824PYRC C4 0.65 1.9000 CN2 825PYRC N4 -0.75 1.85 NN1 826PYRC H41 0.37 0.2245 HN1 827PYRC H42 0.33 0.2245 HN1 828PYRC C5 -0.13 1.9000 CN3 829PYRC H5 0.07 1.1000 HN3 830PYRU N1 -0.82 1.85 NN2B 831PYRU H1 0.48 0.2245 HN2 832PYRU C6 0.20 1.9000 CN3 833PYRU H6 0.14 1.1000 HN3 834PYRT N1 -0.80 1.85 NN2B 835PYRT H1 0.46 0.2245 HN2 836PYRT C6 0.17 1.9000 CN3 837PYRT H6 0.17 1.1000 HN3 838PURG N9 -0.38 1.85 NN2B 839PURG C4 0.26 1.9000 CN5 840PURG H9 0.36 0.2245 HN2 841PURG N3 -0.74 1.85 NN3G 842PURG C2 0.75 1.9000 CN2 843PURG N1 -0.34 1.85 NN2G 844PURG H1 0.26 0.2245 HN2 845PURG N2 -0.68 1.85 NN1 846PURG H21 0.32 0.2245 HN1 847PURG H22 0.35 0.2245 HN1 848PURG C6 0.54 1.9000 CN1 849PURG O6 -0.51 1.70 ON1 850PURG C5 0.00 1.9000 CN5G 851PURG N7 -0.60 1.85 NN4 852PURG C8 0.25 1.9000 CN4 853PURG H8 0.16 1.1000 HN3 854PURA C5 0.28 1.9000 CN5 855PURA N7 -0.71 1.85 NN4 856PURA C8 0.34 1.9000 CN4 857PURA H8 0.12 1.1000 HN3 858PURA N9 -0.37 1.85 NN2 859PURA H9 0.32 0.2245 HN2 860PURA N1 -0.74 1.85 NN3A 861PURA C2 0.50 1.9000 CN4 862PURA H2 0.13 1.1000 HN3 863PURA N3 -0.75 1.85 NN3A 864PURA C4 0.43 1.9000 CN5 865PURA C6 0.46 1.9000 CN2 866PURA N6 -0.77 1.85 NN1 867PURA H61 0.38 0.2245 HN1 868PURA H62 0.38 0.2245 HN1 8695TER H5T 0.43 0.2245 HN5 8705TER O5' -0.66 1.77 ON5 8715TER C5' 0.05 2.010 CN8B 8725TER H5' 0.09 1.3400 HN8 8735TER H5'' 0.09 1.3400 HN8 8745MET C5' -0.27 2.040 CN9 8755MET H5' 0.09 1.3400 HN9 8765MET H5'' 0.09 1.3400 HN9 8775MET H53' 0.09 1.3400 HN9 8785PHO C5' -0.08 2.010 CN8B 8795PHO H5' 0.09 1.3400 HN8 8805PHO H5'' 0.09 1.3400 HN8 8815PHO P 1.50 2.15 P 8825PHO O1P -0.82 1.70 ON3 8835PHO O2P -0.82 1.70 ON3 8845PHO O5' -0.62 1.77 ON2 8855PHO O5T -0.68 1.77 ON4 8865PHO H5T 0.34 0.2245 HN4 8875POM C5' -0.08 2.010 CN8B 8885POM H5' 0.09 1.3400 HN8 8895POM H5'' 0.09 1.3400 HN8 8905POM P 1.50 2.15 P 8915POM O1P -0.78 1.70 ON3 8925POM O2P -0.78 1.70 ON3 8935POM O5' -0.57 1.77 ON2 8945POM O5T -0.57 1.77 ON2 8955POM C5T -0.17 2.040 CN9 8965POM H5T1 0.09 1.3400 HN9 8975POM H5T2 0.09 1.3400 HN9 8985POM H5T3 0.09 1.3400 HN9 8993TER C3' 0.14 2.275 CN7 9003TER H3' 0.09 1.3200 HN7 9013TER O3' -0.66 1.77 ON5 9023TER H3T 0.43 0.2245 HN5 9033PHO C3' 0.01 2.275 CN7 9043PHO H3' 0.09 1.3200 HN7 9053PHO P3 1.50 2.15 P 9063PHO O1P3 -0.82 1.70 ON3 9073PHO O2P3 -0.82 1.70 ON3 9083PHO O3' -0.62 1.77 ON2 9093PHO O3T -0.68 1.77 ON4 9103PHO H3T 0.34 0.2245 HN4 9113POM C3' 0.01 2.275 CN7 9123POM H3' 0.09 1.3200 HN7 9133POM P3 1.50 2.15 P 9143POM O1P3 -0.78 1.70 ON3 9153POM O2P3 -0.78 1.70 ON3 9163POM O3' -0.57 1.77 ON2 9173POM O3T -0.57 1.77 ON2 9183POM C3T -0.17 2.040 CN9 9193POM H3T1 0.09 1.3400 HN9 9203POM H3T2 0.09 1.3400 HN9 9213POM H3T3 0.09 1.3400 HN9 9223PO3 C3' -0.09 2.275 CN7 9233PO3 H3' 0.09 1.3200 HN7 9243PO3 P3 1.10 2.15 P 9253PO3 O3' -0.40 1.77 ON2 9263PO3 O1P3 -0.90 1.70 ON3 9273PO3 O2P3 -0.90 1.70 ON3 9283PO3 O3P3 -0.90 1.70 ON3 92925P1 1C3' -0.18 2.010 CN8 93025P1 1H3' 0.09 1.3400 HN8 93125P1 1H3'' 0.09 1.3400 HN8 93225P1 1C2' 0.01 2.275 CN7 93325P1 1H2'' 0.09 1.3200 HN7 93425P1 1O2' -0.55 1.77 ON2 93525P1 2P 1.50 2.15 P 93625P1 2O1P -0.80 1.70 ON3 93725P1 2O2P -0.80 1.70 ON3 93825P1 2O5' -0.55 1.77 ON2 93925P1 2C5' -0.08 2.010 CN8B 94025P1 2H5' 0.09 1.3400 HN8 94125P1 2H5'' 0.09 1.3400 HN8 94225P2 1C3' -0.18 2.010 CN8 94325P2 1H3' 0.09 1.3400 HN8 94425P2 1H3'' 0.09 1.3400 HN8 94525P2 1C2' 0.01 2.275 CN7 94625P2 1H2'' 0.09 1.3200 HN7 94725P2 1O2' -0.55 1.77 ON2 94825P2 2P 1.50 2.15 P 94925P2 2O1P -0.80 1.70 ON3 95025P2 2O2P -0.80 1.70 ON3 95125P2 2O5' -0.55 1.77 ON2 95225P2 2C5' -0.08 2.010 CN8 95325P2 2H5' 0.09 1.3400 HN8 95425P2 2H5'' 0.09 1.3400 HN8 9559MG N9 -0.02 1.85 NN2B 9569MG C4 0.26 1.9000 CN5 9579MG C9 -0.27 2.040 CN9 9589MG N3 -0.74 1.85 NN3G 9599MG C2 0.75 1.9000 CN2 9609MG N1 -0.34 1.85 NN2G 9619MG H1 0.26 0.2245 HN2 9629MG N2 -0.68 1.85 NN1 9639MG H21 0.32 0.2245 HN1 9649MG H22 0.35 0.2245 HN1 9659MG C6 0.54 1.9000 CN1 9669MG O6 -0.51 1.70 ON1 9679MG C5 0.00 1.9000 CN5G 9689MG N7 -0.60 1.85 NN4 9699MG C8 0.25 1.9000 CN4 9709MG H8 0.16 1.1000 HN3 9719MG H91 0.09 1.3400 HN9 9729MG H92 0.09 1.3400 HN9 9739MG H93 0.09 1.3400 HN9 9749EG C9 -0.18 2.010 CN8 9759EG H91 0.09 1.3400 HN8 9769EG H92 0.09 1.3400 HN8 9779EG C9B -0.27 2.040 CN9 9789EG H9B1 0.09 1.3400 HN9 9799EG H9B2 0.09 1.3400 HN9 9809EG H9B3 0.09 1.3400 HN9 9819MA C5 0.28 1.9000 CN5 9829MA N7 -0.71 1.85 NN4 9839MA C8 0.34 1.9000 CN4 9849MA H8 0.12 1.1000 HN3 9859MA N9 -0.05 1.85 NN2 9869MA C9 -0.27 2.040 CN9 9879MA N1 -0.74 1.85 NN3A 9889MA C2 0.50 1.9000 CN4 9899MA H2 0.13 1.1000 HN3 9909MA N3 -0.75 1.85 NN3A 9919MA C4 0.43 1.9000 CN5 9929MA C6 0.46 1.9000 CN2 9939MA N6 -0.77 1.85 NN1 9949MA H61 0.38 0.2245 HN1 9959MA H62 0.38 0.2245 HN1 9969MA H91 0.09 1.3400 HN9 9979MA H92 0.09 1.3400 HN9 9989MA H93 0.09 1.3400 HN9 9991MC N1 -0.13 1.85 NN2 10001MC C1 -0.27 2.040 CN9 10011MC C6 0.05 1.9000 CN3 10021MC H6 0.17 1.1000 HN3 10031MC C2 0.52 1.9000 CN1 10041MC O2 -0.49 1.70 ON1C 10051MC N3 -0.66 1.85 NN3 10061MC C4 0.65 1.9000 CN2 10071MC N4 -0.75 1.85 NN1 10081MC H41 0.37 0.2245 HN1 10091MC H42 0.33 0.2245 HN1 10101MC C5 -0.13 1.9000 CN3 10111MC H5 0.07 1.1000 HN3 10121MC H11 0.09 1.3400 HN9 10131MC H12 0.09 1.3400 HN9 10141MC H13 0.09 1.3400 HN9 10155MC1 N1 -0.50 1.85 NN2 10165MC1 H1 0.37 0.2245 HN2 10175MC1 C6 0.05 1.9000 CN3 10185MC1 H6 0.17 1.1000 HN3 10195MC1 C5 -0.11 1.9000 CN3D 10205MC1 C5M -0.22 2.040 CN9 10215MC1 H5M1 0.09 1.3400 HN9 10225MC1 H5M2 0.09 1.3400 HN9 10235MC1 H5M3 0.09 1.3400 HN9 10245MC2 C5 -0.11 1.9000 CN3D 10255MC2 C5M -0.22 2.040 CN9 10265MC2 H5M1 0.09 1.3400 HN9 10275MC2 H5M2 0.09 1.3400 HN9 10285MC2 H5M3 0.09 1.3400 HN9 1029INO1 N3 -0.61 1.85 NN3I 1030INO1 C2 0.50 1.9000 CN4 1031INO1 H2 0.08 1.1000 HN3 1032INO1 N1 -0.32 1.85 NN2G 1033INO1 H1 0.27 0.2245 HN2 10341MT N1 -0.34 1.85 NN2B 10351MT C1 -0.27 2.040 CN9 10361MT C6 0.17 1.9000 CN3 10371MT H6 0.17 1.1000 HN3 10381MT C2 0.51 1.9000 CN1T 10391MT O2 -0.41 1.70 ON1 10401MT N3 -0.46 1.85 NN2U 10411MT H3 0.36 0.2245 HN2 10421MT C4 0.50 1.9000 CN1 10431MT O4 -0.45 1.70 ON1 10441MT C5 -0.15 1.9000 CN3T 10451MT C5M -0.11 2.040 CN9 10461MT H51 0.07 1.3400 HN9 10471MT H52 0.07 1.3400 HN9 10481MT H53 0.07 1.3400 HN9 10491MT H11 0.09 1.3400 HN9 10501MT H12 0.09 1.3400 HN9 10511MT H13 0.09 1.3400 HN9 10521MU N1 -0.34 1.85 NN2B 10531MU C1 -0.27 2.040 CN9 10541MU C6 0.20 1.9000 CN3 10551MU H6 0.14 1.1000 HN3 10561MU C2 0.55 1.9000 CN1T 10571MU O2 -0.45 1.70 ON1 10581MU N3 -0.46 1.85 NN2U 10591MU H3 0.36 0.2245 HN2 10601MU C4 0.53 1.9000 CN1 10611MU O4 -0.48 1.70 ON1 10621MU C5 -0.15 1.9000 CN3 10631MU H5 0.10 1.1000 HN3 10641MU H11 0.09 1.3400 HN9 10651MU H12 0.09 1.3400 HN9 10661MU H13 0.09 1.3400 HN9 1067NIC H1 0.45 0.2245 HN2 1068NIC N2 -0.52 1.85 NN2 1069NIC C3 0.16 1.8000 CN3B 1070NIC H4 0.19 0.9000 HN3B 1071NIC C5 -0.10 1.9000 CN3 1072NIC H6 0.16 0.9000 HN3B 1073NIC C7 -0.05 1.8000 CN3A 1074NIC H8 0.16 0.9000 HN3B 1075NIC C9 0.05 1.9000 CN3 1076NIC C10 0.18 1.8000 CN3B 1077NIC H11 0.16 0.9000 HN3B 1078NIC C12 0.68 2.0000 CN1A 1079NIC O13 -0.40 1.70 ON1 1080NIC N14 -0.82 1.85 NN1 1081NIC H15 0.34 0.2245 HN1 1082NIC H16 0.36 0.2245 HN1 1083NICH H1 0.42 0.2245 HN2 1084NICH N2 -0.69 1.85 NN2 1085NICH C3 -0.06 1.8000 CN3C 1086NICH H4 0.17 1.3200 HN6 1087NICH C5 -0.18 1.9000 CN3 1088NICH H6 0.14 1.3200 HN6 1089NICH C7 -0.28 2.010 CN8 1090NICH H8 0.09 1.3400 HN8 1091NICH H17 0.09 1.3400 HN8 1092NICH C10 -0.10 1.8000 CN3C 1093NICH H11 0.14 1.3200 HN6 1094NICH C9 0.36 1.9000 CN3 1095NICH C12 0.55 2.0000 CN1A 1096NICH O13 -0.51 1.70 ON1 1097NICH N14 -0.72 1.85 NN1 1098NICH H15 0.26 0.2245 HN1 1099NICH H16 0.32 0.2245 HN1 1100PPI1 C1 -0.17 2.040 CN9 1101PPI1 O11 -0.62 1.77 ON2 1102PPI1 P1 1.50 2.15 P 1103PPI1 O12 -0.74 1.77 ON2 1104PPI1 O13 -0.82 1.70 ON3 1105PPI1 O14 -0.82 1.70 ON3 1106PPI1 P2 1.10 2.15 P2 1107PPI1 O22 -0.90 1.70 ON3 1108PPI1 O23 -0.90 1.70 ON3 1109PPI1 O24 -0.90 1.70 ON3 1110PPI1 H11 0.09 1.3400 HN9 1111PPI1 H12 0.09 1.3400 HN9 1112PPI1 H13 0.09 1.3400 HN9 1113ADP C4' 0.16 2.275 CN7 1114ADP H4' 0.09 1.3200 HN7 1115ADP O4' -0.50 1.77 ON6B 1116ADP C1' 0.16 2.275 CN7B 1117ADP H1' 0.09 1.3200 HN7 1118ADP C5 0.28 1.9000 CN5 1119ADP N7 -0.71 1.85 NN4 1120ADP C8 0.34 1.9000 CN4 1121ADP H8 0.12 1.1000 HN3 1122ADP N9 -0.05 1.85 NN2 1123ADP N1 -0.74 1.85 NN3A 1124ADP C2 0.50 1.9000 CN4 1125ADP H2 0.13 1.1000 HN3 1126ADP N3 -0.75 1.85 NN3A 1127ADP C4 0.43 1.9000 CN5 1128ADP C6 0.46 1.9000 CN2 1129ADP N6 -0.77 1.85 NN1 1130ADP H61 0.38 0.2245 HN1 1131ADP H62 0.38 0.2245 HN1 1132ADP C2' 0.14 2.275 CN7 1133ADP H2'' 0.09 1.3200 HN7 1134ADP O2' -0.66 1.77 ON5 1135ADP H2' 0.43 0.2245 HN5 1136ADP C3' 0.14 2.275 CN7 1137ADP H3' 0.09 1.3200 HN7 1138ADP O3' -0.66 1.77 ON5 1139ADP H3T 0.43 0.2245 HN5 1140ADP C5' -0.08 2.010 CN8 1141ADP H5' 0.09 1.3400 HN8 1142ADP H5'' 0.09 1.3400 HN8 1143ADP O5' -0.62 1.77 ON2 1144ADP PA 1.50 2.15 P 1145ADP O1A -0.82 1.70 ON3 1146ADP O2A -0.82 1.70 ON3 1147ADP O3A -0.74 1.77 ON2 1148ADP PB 1.10 2.15 P2 1149ADP O1B -0.90 1.70 ON3 1150ADP O2B -0.90 1.70 ON3 1151ADP O3B -0.90 1.70 ON3 1152ATP C4' 0.16 2.275 CN7 1153ATP H4' 0.09 1.3200 HN7 1154ATP O4' -0.50 1.77 ON6B 1155ATP C1' 0.16 2.275 CN7B 1156ATP H1' 0.09 1.3200 HN7 1157ATP C5 0.28 1.9000 CN5 1158ATP N7 -0.71 1.85 NN4 1159ATP C8 0.34 1.9000 CN4 1160ATP H8 0.12 1.1000 HN3 1161ATP N9 -0.05 1.85 NN2 1162ATP N1 -0.74 1.85 NN3A 1163ATP C2 0.50 1.9000 CN4 1164ATP H2 0.13 1.1000 HN3 1165ATP N3 -0.75 1.85 NN3A 1166ATP C4 0.43 1.9000 CN5 1167ATP C6 0.46 1.9000 CN2 1168ATP N6 -0.77 1.85 NN1 1169ATP H61 0.38 0.2245 HN1 1170ATP H62 0.38 0.2245 HN1 1171ATP C2' 0.14 2.275 CN7 1172ATP H2'' 0.09 1.3200 HN7 1173ATP O2' -0.66 1.77 ON5 1174ATP H2' 0.43 0.2245 HN5 1175ATP C3' 0.14 2.275 CN7 1176ATP H3' 0.09 1.3200 HN7 1177ATP O3' -0.66 1.77 ON5 1178ATP H3T 0.43 0.2245 HN5 1179ATP C5' -0.08 2.010 CN8 1180ATP H5' 0.09 1.3400 HN8 1181ATP H5'' 0.09 1.3400 HN8 1182ATP O5' -0.62 1.77 ON2 1183ATP PA 1.50 2.15 P 1184ATP O1A -0.82 1.70 ON3 1185ATP O2A -0.82 1.70 ON3 1186ATP O3A -0.74 1.77 ON2 1187ATP PB 1.50 2.15 P2 1188ATP O1B -0.82 1.70 ON3 1189ATP O2B -0.82 1.70 ON3 1190ATP O3B -0.86 1.77 ON2 1191ATP PG 1.10 2.15 P2 1192ATP O1G -0.90 1.70 ON3 1193ATP O2G -0.90 1.70 ON3 1194ATP O3G -0.90 1.70 ON3 11955DP C5' -0.08 2.010 CN8 11965DP H5' 0.09 1.3400 HN8 11975DP H5'' 0.09 1.3400 HN8 11985DP O5' -0.62 1.77 ON2 11995DP P 1.50 2.15 P 12005DP O1P -0.82 1.70 ON3 12015DP O2P -0.82 1.70 ON3 12025DP O13 -0.74 1.77 ON2 12035DP P2 1.10 2.15 P2 12045DP O21 -0.90 1.70 ON3 12055DP O22 -0.90 1.70 ON3 12065DP O23 -0.90 1.70 ON3 1207NAD AC4' 0.16 2.275 CN7 1208NAD AH4' 0.09 1.3200 HN7 1209NAD AO4' -0.50 1.77 ON6B 1210NAD AC1' 0.16 2.275 CN7B 1211NAD AH1' 0.09 1.3200 HN7 1212NAD AC5 0.28 1.9000 CN5 1213NAD AN7 -0.71 1.85 NN4 1214NAD AC8 0.34 1.9000 CN4 1215NAD AH8 0.12 1.1000 HN3 1216NAD AN9 -0.05 1.85 NN2 1217NAD AN1 -0.74 1.85 NN3A 1218NAD AC2 0.50 1.9000 CN4 1219NAD AH2 0.13 1.1000 HN3 1220NAD AN3 -0.75 1.85 NN3A 1221NAD AC4 0.43 1.9000 CN5 1222NAD AC6 0.46 1.9000 CN2 1223NAD AN6 -0.77 1.85 NN1 1224NAD AH61 0.38 0.2245 HN1 1225NAD AH62 0.38 0.2245 HN1 1226NAD AC2' 0.14 2.275 CN7B 1227NAD AH2' 0.09 1.3200 HN7 1228NAD AO2' -0.66 1.77 ON5 1229NAD AH2T 0.43 0.2245 HN5 1230NAD AC3' 0.14 2.275 CN7 1231NAD AH3' 0.09 1.3200 HN7 1232NAD AO3' -0.66 1.77 ON5 1233NAD AH3T 0.43 0.2245 HN5 1234NAD AC5' -0.08 2.010 CN8B 1235NAD AH5' 0.09 1.3400 HN8 1236NAD AH5s 0.09 1.3400 HN8 1237NAD AP 1.50 2.15 P 1238NAD AO1 -0.82 1.70 ON3 1239NAD AO2 -0.82 1.70 ON3 1240NAD AO5' -0.62 1.77 ON2 1241NAD O3 -0.68 1.77 ON2 1242NAD NP 1.50 2.15 P 1243NAD NO1 -0.82 1.70 ON3 1244NAD NO2 -0.82 1.70 ON3 1245NAD NO5' -0.62 1.77 ON2 1246NAD NC5' -0.08 2.010 CN8B 1247NAD NH5s 0.09 1.3400 HN8 1248NAD NH5' 0.09 1.3400 HN8 1249NAD NC2' 0.14 2.275 CN7B 1250NAD NH2' 0.09 1.3200 HN7 1251NAD NO2' -0.66 1.77 ON5 1252NAD NH2T 0.43 0.2245 HN5 1253NAD NC3' 0.14 2.275 CN7 1254NAD NH3' 0.09 1.3200 HN7 1255NAD NO3' -0.66 1.77 ON5 1256NAD NH3T 0.43 0.2245 HN5 1257NAD NC1' 0.16 2.275 CN7B 1258NAD NH1' 0.09 1.3200 HN7 1259NAD NC4' 0.16 2.275 CN7 1260NAD NH4' 0.09 1.3200 HN7 1261NAD NO4' -0.50 1.77 ON6B 1262NAD NN1 -0.07 1.85 NN2 1263NAD NC6 0.16 1.8000 CN3B 1264NAD NH6 0.19 0.9000 HN3B 1265NAD NC5 -0.10 1.9000 CN3 1266NAD NH5 0.16 0.9000 HN3B 1267NAD NC4 -0.05 1.8000 CN3A 1268NAD NH4 0.16 0.9000 HN3B 1269NAD NC3 0.05 1.9000 CN3 1270NAD NC2 0.18 1.8000 CN3B 1271NAD NH2 0.16 0.9000 HN3B 1272NAD NC7 0.68 2.0000 CN1A 1273NAD NO7 -0.40 1.70 ON1 1274NAD NN7 -0.82 1.85 NN1 1275NAD NH71 0.34 0.2245 HN1 1276NAD NH72 0.36 0.2245 HN1 1277NADH AC4' 0.16 2.275 CN7 1278NADH AH4' 0.09 1.3200 HN7 1279NADH AO4' -0.50 1.77 ON6B 1280NADH AC1' 0.16 2.275 CN7B 1281NADH AH1' 0.09 1.3200 HN7 1282NADH AC5 0.28 1.9000 CN5 1283NADH AN7 -0.71 1.85 NN4 1284NADH AC8 0.34 1.9000 CN4 1285NADH AH8 0.12 1.1000 HN3 1286NADH AN9 -0.05 1.85 NN2 1287NADH AN1 -0.74 1.85 NN3A 1288NADH AC2 0.50 1.9000 CN4 1289NADH AH2 0.13 1.1000 HN3 1290NADH AN3 -0.75 1.85 NN3A 1291NADH AC4 0.43 1.9000 CN5 1292NADH AC6 0.46 1.9000 CN2 1293NADH AN6 -0.77 1.85 NN1 1294NADH AH61 0.38 0.2245 HN1 1295NADH AH62 0.38 0.2245 HN1 1296NADH AC2' 0.14 2.275 CN7B 1297NADH AH2' 0.09 1.3200 HN7 1298NADH AO2' -0.66 1.77 ON5 1299NADH AH2T 0.43 0.2245 HN5 1300NADH AC3' 0.14 2.275 CN7 1301NADH AH3' 0.09 1.3200 HN7 1302NADH AO3' -0.66 1.77 ON5 1303NADH AH3T 0.43 0.2245 HN5 1304NADH AC5' -0.08 2.010 CN8B 1305NADH AH5' 0.09 1.3400 HN8 1306NADH AH5s 0.09 1.3400 HN8 1307NADH AP 1.50 2.15 P 1308NADH AO1 -0.82 1.70 ON3 1309NADH AO2 -0.82 1.70 ON3 1310NADH AO5' -0.62 1.77 ON2 1311NADH O3 -0.68 1.77 ON2 1312NADH NP 1.50 2.15 P 1313NADH NO1 -0.82 1.70 ON3 1314NADH NO2 -0.82 1.70 ON3 1315NADH NO5' -0.62 1.77 ON2 1316NADH NC5' -0.08 2.010 CN8B 1317NADH NH5s 0.09 1.3400 HN8 1318NADH NH5' 0.09 1.3400 HN8 1319NADH NC2' 0.14 2.275 CN7B 1320NADH NH2' 0.09 1.3200 HN7 1321NADH NO2' -0.66 1.77 ON5 1322NADH NH2T 0.43 0.2245 HN5 1323NADH NC3' 0.14 2.275 CN7 1324NADH NH3' 0.09 1.3200 HN7 1325NADH NO3' -0.66 1.77 ON5 1326NADH NH3T 0.43 0.2245 HN5 1327NADH NC1' 0.16 2.275 CN7B 1328NADH NH1' 0.09 1.3200 HN7 1329NADH NC4' 0.16 2.275 CN7 1330NADH NH4' 0.09 1.3200 HN7 1331NADH NO4' -0.50 1.77 ON6B 1332NADH NN1 -0.27 1.85 NN2 1333NADH NC6 -0.06 1.8000 CN3C 1334NADH NH6 0.17 1.3200 HN6 1335NADH NC5 -0.18 1.9000 CN3 1336NADH NH5 0.14 1.3200 HN6 1337NADH NC4 -0.28 2.010 CN8 1338NADH NH4 0.09 1.3400 HN8 1339NADH NH42 0.09 1.3400 HN8 1340NADH NC3 0.36 1.9000 CN3 1341NADH NC2 -0.10 1.8000 CN3C 1342NADH NH2 0.14 1.3200 HN6 1343NADH NC7 0.55 2.0000 CN1A 1344NADH NO7 -0.51 1.70 ON1 1345NADH NN7 -0.72 1.85 NN1 1346NADH NH71 0.26 0.2245 HN1 1347NADH NH72 0.32 0.2245 HN1 1348NADP AC4' 0.16 2.275 CN7 1349NADP AH4' 0.09 1.3200 HN7 1350NADP AO4' -0.50 1.77 ON6B 1351NADP AC1' 0.16 2.275 CN7B 1352NADP AH1' 0.09 1.3200 HN7 1353NADP AC5 0.28 1.9000 CN5 1354NADP AN7 -0.71 1.85 NN4 1355NADP AC8 0.34 1.9000 CN4 1356NADP AH8 0.12 1.1000 HN3 1357NADP AN9 -0.05 1.85 NN2 1358NADP AN1 -0.74 1.85 NN3A 1359NADP AC2 0.50 1.9000 CN4 1360NADP AH2 0.13 1.1000 HN3 1361NADP AN3 -0.75 1.85 NN3A 1362NADP AC4 0.43 1.9000 CN5 1363NADP AC6 0.46 1.9000 CN2 1364NADP AN6 -0.77 1.85 NN1 1365NADP AH61 0.38 0.2245 HN1 1366NADP AH62 0.38 0.2245 HN1 1367NADP AC2' 0.01 2.275 CN7B 1368NADP AH2' 0.09 1.3200 HN7 1369NADP AO2' -0.62 1.77 ON2 1370NADP AP2 1.50 2.15 P 1371NADP AO1P -0.82 1.70 ON3 1372NADP AO2P -0.82 1.70 ON3 1373NADP AO2T -0.68 1.77 ON4 1374NADP AH2T 0.34 0.2245 HN4 1375NADP AC3' 0.14 2.275 CN7 1376NADP AH3' 0.09 1.3200 HN7 1377NADP AO3' -0.66 1.77 ON5 1378NADP AH3T 0.43 0.2245 HN5 1379NADP AC5' -0.08 2.010 CN8B 1380NADP AH5' 0.09 1.3400 HN8 1381NADP AH5s 0.09 1.3400 HN8 1382NADP AP 1.50 2.15 P 1383NADP AO1 -0.82 1.70 ON3 1384NADP AO2 -0.82 1.70 ON3 1385NADP AO5' -0.62 1.77 ON2 1386NADP O3 -0.68 1.77 ON2 1387NADP NP 1.50 2.15 P 1388NADP NO1 -0.82 1.70 ON3 1389NADP NO2 -0.82 1.70 ON3 1390NADP NO5' -0.62 1.77 ON2 1391NADP NC5' -0.08 2.010 CN8B 1392NADP NH5s 0.09 1.3400 HN8 1393NADP NH5' 0.09 1.3400 HN8 1394NADP NC2' 0.14 2.275 CN7B 1395NADP NH2' 0.09 1.3200 HN7 1396NADP NO2' -0.66 1.77 ON5 1397NADP NH2T 0.43 0.2245 HN5 1398NADP NC3' 0.14 2.275 CN7 1399NADP NH3' 0.09 1.3200 HN7 1400NADP NO3' -0.66 1.77 ON5 1401NADP NH3T 0.43 0.2245 HN5 1402NADP NC1' 0.16 2.275 CN7B 1403NADP NH1' 0.09 1.3200 HN7 1404NADP NC4' 0.16 2.275 CN7 1405NADP NH4' 0.09 1.3200 HN7 1406NADP NO4' -0.50 1.77 ON6B 1407NADP NN1 -0.07 1.85 NN2 1408NADP NC6 0.16 1.8000 CN3B 1409NADP NH6 0.19 0.9000 HN3B 1410NADP NC5 -0.10 1.9000 CN3 1411NADP NH5 0.16 0.9000 HN3B 1412NADP NC4 -0.05 1.8000 CN3A 1413NADP NH4 0.16 0.9000 HN3B 1414NADP NC3 0.05 1.9000 CN3 1415NADP NC2 0.18 1.8000 CN3B 1416NADP NH2 0.16 0.9000 HN3B 1417NADP NC7 0.68 2.0000 CN1A 1418NADP NO7 -0.40 1.70 ON1 1419NADP NN7 -0.82 1.85 NN1 1420NADP NH71 0.34 0.2245 HN1 1421NADP NH72 0.36 0.2245 HN1 1422NDPH AC4' 0.16 2.275 CN7 1423NDPH AH4' 0.09 1.3200 HN7 1424NDPH AO4' -0.50 1.77 ON6B 1425NDPH AC1' 0.16 2.275 CN7B 1426NDPH AH1' 0.09 1.3200 HN7 1427NDPH AC5 0.28 1.9000 CN5 1428NDPH AN7 -0.71 1.85 NN4 1429NDPH AC8 0.34 1.9000 CN4 1430NDPH AH8 0.12 1.1000 HN3 1431NDPH AN9 -0.05 1.85 NN2 1432NDPH AN1 -0.74 1.85 NN3A 1433NDPH AC2 0.50 1.9000 CN4 1434NDPH AH2 0.13 1.1000 HN3 1435NDPH AN3 -0.75 1.85 NN3A 1436NDPH AC4 0.43 1.9000 CN5 1437NDPH AC6 0.46 1.9000 CN2 1438NDPH AN6 -0.77 1.85 NN1 1439NDPH AH61 0.38 0.2245 HN1 1440NDPH AH62 0.38 0.2245 HN1 1441NDPH AC2' 0.01 2.275 CN7B 1442NDPH AH2' 0.09 1.3200 HN7 1443NDPH AO2' -0.62 1.77 ON2 1444NDPH AP2 1.50 2.15 P 1445NDPH AO1P -0.82 1.70 ON3 1446NDPH AO2P -0.82 1.70 ON3 1447NDPH AO2T -0.68 1.77 ON4 1448NDPH AH2T 0.34 0.2245 HN4 1449NDPH AC3' 0.14 2.275 CN7 1450NDPH AH3' 0.09 1.3200 HN7 1451NDPH AO3' -0.66 1.77 ON5 1452NDPH AH3T 0.43 0.2245 HN5 1453NDPH AC5' -0.08 2.010 CN8B 1454NDPH AH5' 0.09 1.3400 HN8 1455NDPH AH5s 0.09 1.3400 HN8 1456NDPH AP 1.50 2.15 P 1457NDPH AO1 -0.82 1.70 ON3 1458NDPH AO2 -0.82 1.70 ON3 1459NDPH AO5' -0.62 1.77 ON2 1460NDPH O3 -0.68 1.77 ON2 1461NDPH NP 1.50 2.15 P 1462NDPH NO1 -0.82 1.70 ON3 1463NDPH NO2 -0.82 1.70 ON3 1464NDPH NO5' -0.62 1.77 ON2 1465NDPH NC5' -0.08 2.010 CN8B 1466NDPH NH5s 0.09 1.3400 HN8 1467NDPH NH5' 0.09 1.3400 HN8 1468NDPH NC2' 0.14 2.275 CN7B 1469NDPH NH2' 0.09 1.3200 HN7 1470NDPH NO2' -0.66 1.77 ON5 1471NDPH NH2T 0.43 0.2245 HN5 1472NDPH NC3' 0.14 2.275 CN7 1473NDPH NH3' 0.09 1.3200 HN7 1474NDPH NO3' -0.66 1.77 ON5 1475NDPH NH3T 0.43 0.2245 HN5 1476NDPH NC1' 0.16 2.275 CN7B 1477NDPH NH1' 0.09 1.3200 HN7 1478NDPH NC4' 0.16 2.275 CN7 1479NDPH NH4' 0.09 1.3200 HN7 1480NDPH NO4' -0.50 1.77 ON6B 1481NDPH NN1 -0.27 1.85 NN2 1482NDPH NC6 -0.06 1.8000 CN3C 1483NDPH NH6 0.17 1.3200 HN6 1484NDPH NC5 -0.18 1.9000 CN3 1485NDPH NH5 0.14 1.3200 HN6 1486NDPH NC4 -0.28 2.010 CN8 1487NDPH NH4 0.09 1.3400 HN8 1488NDPH NH42 0.09 1.3400 HN8 1489NDPH NC3 0.36 1.9000 CN3 1490NDPH NC2 -0.10 1.8000 CN3C 1491NDPH NH2 0.14 1.3200 HN6 1492NDPH NC7 0.55 2.0000 CN1A 1493NDPH NO7 -0.51 1.70 ON1 1494NDPH NN7 -0.72 1.85 NN1 1495NDPH NH71 0.26 0.2245 HN1 1496NDPH NH72 0.32 0.2245 HN1 1497THF O4' -0.50 1.77 ON6 1498THF C4' 0.07 2.010 CN8 1499THF C3' -0.18 2.010 CN8 1500THF C2' -0.18 2.010 CN8 1501THF C1' 0.07 2.010 CN8 1502THF H11' 0.09 1.3400 HN8 1503THF H12' 0.09 1.3400 HN8 1504THF H21' 0.09 1.3400 HN8 1505THF H22' 0.09 1.3400 HN8 1506THF H31' 0.09 1.3400 HN8 1507THF H32' 0.09 1.3400 HN8 1508THF H41' 0.09 1.3400 HN8 1509THF H42' 0.09 1.3400 HN8 1510THFM O4' -0.50 1.77 ON6 1511THFM C1' 0.07 2.010 CN8 1512THFM C2' -0.18 2.010 CN8 1513THFM C3' -0.18 2.010 CN8 1514THFM C4' 0.16 2.010 CN8 1515THFM H11' 0.09 1.3400 HN8 1516THFM H12' 0.09 1.3400 HN8 1517THFM H21' 0.09 1.3400 HN8 1518THFM H22' 0.09 1.3400 HN8 1519THFM H31' 0.09 1.3400 HN8 1520THFM H32' 0.09 1.3400 HN8 1521THFM H42' 0.09 1.3200 HN7 1522THFM C5' -0.27 2.040 CN9 1523THFM H51' 0.09 1.3400 HN9 1524THFM H52' 0.09 1.3400 HN9 1525THFM H53' 0.09 1.3400 HN9 1526THFO O4' -0.50 1.77 ON6 1527THFO C1' 0.07 2.275 CN7B 1528THFO C2' -0.18 2.010 CN8 1529THFO C4' 0.07 2.275 CN7 1530THFO H11' 0.09 1.3200 HN7 1531THFO H12' 0.09 1.3200 HN7 1532THFO H21' 0.09 1.3400 HN8 1533THFO H22' 0.09 1.3400 HN8 1534THFO H41' 0.09 1.3200 HN7 1535THFO H42' 0.09 1.3200 HN7 1536THFO C3' 0.14 2.275 CN7 1537THFO H31' 0.09 1.3200 HN7 1538THFO O3' -0.66 1.77 ON5 1539THFO H32' 0.43 0.2245 HN5 1540THFI O4' -0.50 1.77 ON6 1541THFI C1' 0.16 2.275 CN7B 1542THFI H12' 0.09 1.3200 HN7 1543THFI C4' 0.07 2.275 CN7 1544THFI H41' 0.09 1.3200 HN7 1545THFI H42' 0.09 1.3200 HN7 1546THFI C2' -0.18 2.010 CN8 1547THFI H21' 0.09 1.3400 HN8 1548THFI H22' 0.09 1.3400 HN8 1549THFI C3' -0.18 2.275 CN7 1550THFI H31' 0.09 1.3200 HN7 1551THFI H32' 0.09 1.3200 HN7 1552THFI CG -0.05 1.800000 CPH1 1553THFI HG 0.09 1.468000 HR3 1554THFI CD2 0.22 1.800000 CPH1 1555THFI HD2 0.10 1.468000 HR3 1556THFI ND1 -0.04 1.850000 NR1 1557THFI CE1 0.25 1.800000 CPH2 1558THFI HE1 0.13 0.900000 HR1 1559THFI NE2 -0.70 1.850000 NR2 1560THMI O4' -0.50 1.77 ON6 1561THMI C1' 0.16 2.275 CN7B 1562THMI H12' 0.09 1.3200 HN7 1563THMI C4' 0.16 2.275 CN7 1564THMI H42' 0.09 1.3200 HN7 1565THMI C2' -0.18 2.010 CN8 1566THMI H21' 0.09 1.3400 HN8 1567THMI H22' 0.09 1.3400 HN8 1568THMI C3' -0.18 2.275 CN7 1569THMI H31' 0.09 1.3200 HN7 1570THMI H32' 0.09 1.3200 HN7 1571THMI C5' -0.27 2.010 CN8B 1572THMI H51' 0.09 1.3400 HN8 1573THMI H52' 0.09 1.3400 HN8 1574THMI H53' 0.09 1.3400 HN8 1575THMI CG -0.05 1.800000 CPH1 1576THMI HG 0.09 1.468000 HR3 1577THMI CD2 0.22 1.800000 CPH1 1578THMI HD2 0.10 1.468000 HR3 1579THMI ND1 -0.04 1.850000 NR1 1580THMI CE1 0.25 1.800000 CPH2 1581THMI HE1 0.13 0.900000 HR1 1582THMI NE2 -0.70 1.850000 NR2 1583THFC O4' -0.50 1.77 ON6 1584THFC C1' 0.07 2.010 CN8 1585THFC H11' 0.09 1.3400 HN8 1586THFC H12' 0.09 1.3400 HN8 1587THFC C4' 0.16 2.275 CN7 1588THFC H42' 0.09 1.3200 HN7 1589THFC C2' -0.18 2.010 CN8 1590THFC H21' 0.09 1.3400 HN8 1591THFC H22' 0.09 1.3400 HN8 1592THFC H31' 0.09 1.3200 HN7 1593THFC C3' 0.14 2.275 CN7 1594THFC O3' -0.66 1.77 ON5 1595THFC H32' 0.43 0.2245 HN5 1596THFC C5' -0.27 2.040 CN9 1597THFC H51' 0.09 1.3400 HN9 1598THFC H52' 0.09 1.3400 HN9 1599THFC H53' 0.09 1.3400 HN9 1600TH5P O4' -0.50 1.77 ON6 1601TH5P C1' 0.07 2.275 CN7B 1602TH5P H1' 0.09 1.3200 HN7 1603TH5P H1'' 0.09 1.3200 HN7 1604TH5P C4' 0.16 2.275 CN7 1605TH5P H4'' 0.09 1.3200 HN7 1606TH5P C2' -0.18 2.010 CN8 1607TH5P H2' 0.09 1.3400 HN8 1608TH5P H2'' 0.09 1.3400 HN8 1609TH5P C3' -0.18 2.275 CN7 1610TH5P H3' 0.09 1.3200 HN7 1611TH5P H3'' 0.09 1.3200 HN7 1612TH5P C5' -0.18 2.010 CN8B 1613TH5P H5' 0.09 1.3400 HN8 1614TH5P H5'' 0.09 1.3400 HN8 1615TH5P O5' -0.40 1.77 ON2 1616TH5P P 1.10 2.15 P 1617TH5P O1P -0.90 1.70 ON3 1618TH5P O2P -0.90 1.70 ON3 1619TH5P O3P -0.90 1.70 ON3 1620TH5H O4' -0.50 1.77 ON6 1621TH5H C1' 0.07 2.275 CN7B 1622TH5H H1' 0.09 1.3200 HN7 1623TH5H H1'' 0.09 1.3200 HN7 1624TH5H C4' 0.16 2.275 CN7 1625TH5H H4'' 0.09 1.3200 HN7 1626TH5H C2' -0.18 2.010 CN8 1627TH5H H2' 0.09 1.3400 HN8 1628TH5H H2'' 0.09 1.3400 HN8 1629TH5H C3' -0.18 2.275 CN7 1630TH5H H3' 0.09 1.3200 HN7 1631TH5H H3'' 0.09 1.3200 HN7 1632TH5H C5' 0.05 2.010 CN8B 1633TH5H H5' 0.09 1.3400 HN8 1634TH5H H5'' 0.09 1.3400 HN8 1635TH5H O5' -0.66 1.77 ON5 1636TH5H H5T 0.43 0.2245 HN5 1637T5PH C5' -0.08 2.010 CN8B 1638T5PH H5' 0.09 1.3400 HN8 1639T5PH H5'' 0.09 1.3400 HN8 1640T5PH O5' -0.62 1.77 ON2 1641T5PH P 1.50 2.15 P 1642T5PH O1P -0.82 1.70 ON3 1643T5PH O2P -0.82 1.70 ON3 1644T5PH O3P -0.68 1.77 ON4 1645T5PH H5T 0.34 0.2245 HN4 1646T5PH O4' -0.50 1.77 ON6 1647T5PH C1' 0.07 2.275 CN7B 1648T5PH H1' 0.09 1.3200 HN7 1649T5PH H1'' 0.09 1.3200 HN7 1650T5PH C4' 0.16 2.275 CN7 1651T5PH H4'' 0.09 1.3200 HN7 1652T5PH C2' -0.18 2.010 CN8 1653T5PH H2' 0.09 1.3400 HN8 1654T5PH H2'' 0.09 1.3400 HN8 1655T5PH C3' -0.18 2.275 CN7 1656T5PH H3' 0.09 1.3200 HN7 1657T5PH H3'' 0.09 1.3200 HN7 1658TH3P O4' -0.50 1.77 ON6 1659TH3P C1' 0.07 2.275 CN7B 1660TH3P H11' 0.09 1.3200 HN7 1661TH3P H12' 0.09 1.3200 HN7 1662TH3P C4' 0.07 2.275 CN7 1663TH3P H41' 0.09 1.3200 HN7 1664TH3P H42' 0.09 1.3200 HN7 1665TH3P C2' -0.18 2.010 CN8 1666TH3P H21' 0.09 1.3400 HN8 1667TH3P H22' 0.09 1.3400 HN8 1668TH3P C3' -0.09 2.275 CN7 1669TH3P H31' 0.09 1.3200 HN7 1670TH3P O3' -0.40 1.77 ON2 1671TH3P P 1.10 2.15 P 1672TH3P O1P -0.90 1.70 ON3 1673TH3P O2P -0.90 1.70 ON3 1674TH3P O3P -0.90 1.70 ON3 1675T3PH O4' -0.50 1.77 ON6 1676T3PH C1' 0.07 2.275 CN7B 1677T3PH H11' 0.09 1.3200 HN7 1678T3PH H12' 0.09 1.3200 HN7 1679T3PH C4' 0.07 2.275 CN7 1680T3PH H41' 0.09 1.3200 HN7 1681T3PH H42' 0.09 1.3200 HN7 1682T3PH C2' -0.18 2.010 CN8 1683T3PH H21' 0.09 1.3400 HN8 1684T3PH H22' 0.09 1.3400 HN8 1685T3PH C3' 0.01 2.275 CN7 1686T3PH H31' 0.09 1.3200 HN7 1687T3PH O3' -0.62 1.77 ON2 1688T3PH P 1.50 2.15 P 1689T3PH O1P -0.82 1.70 ON3 1690T3PH O2P -0.82 1.70 ON3 1691T3PH O3T -0.68 1.77 ON4 1692T3PH H3T 0.34 0.2245 HN4 1693R3PH O4' -0.50 1.77 ON6B 1694R3PH C1' 0.07 2.275 CN7B 1695R3PH H11' 0.09 1.3200 HN7 1696R3PH H12' 0.09 1.3200 HN7 1697R3PH C4' 0.07 2.275 CN7 1698R3PH H41' 0.09 1.3200 HN7 1699R3PH H42' 0.09 1.3200 HN7 1700R3PH C2' 0.14 2.275 CN7B 1701R3PH H21' 0.09 1.3200 HN7 1702R3PH O2' -0.66 1.77 ON5 1703R3PH H22' 0.43 0.2245 HN5 1704R3PH C3' 0.01 2.275 CN7 1705R3PH H31' 0.09 1.3200 HN7 1706R3PH O3' -0.62 1.77 ON2 1707R3PH P 1.50 2.15 P 1708R3PH O1P -0.82 1.70 ON3 1709R3PH O2P -0.82 1.70 ON3 1710R3PH O3T -0.68 1.77 ON4 1711R3PH H3T 0.34 0.2245 HN4 1712A3PH O4' -0.50 1.77 ON6 1713A3PH C1' 0.07 2.275 CN7B 1714A3PH H11' 0.09 1.3200 HN7 1715A3PH H12' 0.09 1.3200 HN7 1716A3PH C4' 0.07 2.275 CN7 1717A3PH H41' 0.09 1.3200 HN7 1718A3PH H42' 0.09 1.3200 HN7 1719A3PH C2' 0.14 2.275 CN7C 1720A3PH H22' 0.09 1.3200 HN7 1721A3PH O2' -0.66 1.77 ON5 1722A3PH H21' 0.43 0.2245 HN5 1723A3PH C3' 0.01 2.275 CN7 1724A3PH H31' 0.09 1.3200 HN7 1725A3PH O3' -0.62 1.77 ON2 1726A3PH P 1.50 2.15 P 1727A3PH O1P -0.82 1.70 ON3 1728A3PH O2P -0.82 1.70 ON3 1729A3PH O3T -0.68 1.77 ON4 1730A3PH H3T 0.34 0.2245 HN4 1731T3PM O4' -0.50 1.77 ON6 1732T3PM C1' 0.07 2.275 CN7B 1733T3PM H11' 0.09 1.3200 HN7 1734T3PM H12' 0.09 1.3200 HN7 1735T3PM C4' 0.07 2.275 CN7 1736T3PM H41' 0.09 1.3200 HN7 1737T3PM H42' 0.09 1.3200 HN7 1738T3PM C2' -0.18 2.010 CN8 1739T3PM H21' 0.09 1.3400 HN8 1740T3PM H22' 0.09 1.3400 HN8 1741T3PM C3' 0.01 2.275 CN7 1742T3PM H31' 0.09 1.3200 HN7 1743T3PM O3' -0.57 1.77 ON2 1744T3PM P 1.50 2.15 P 1745T3PM O1P -0.78 1.70 ON3 1746T3PM O2P -0.78 1.70 ON3 1747T3PM O3T -0.57 1.77 ON2 1748T3PM C3T -0.17 2.010 CN8B 1749T3PM H3T1 0.09 1.3400 HN8 1750T3PM H3T2 0.09 1.3400 HN8 1751T3PM H3T3 0.09 1.3400 HN8 1752TM3P O4' -0.50 1.77 ON6 1753TM3P C1' 0.07 2.275 CN7B 1754TM3P H11' 0.09 1.3200 HN7 1755TM3P H12' 0.09 1.3200 HN7 1756TM3P C4' 0.16 2.275 CN7 1757TM3P H42' 0.09 1.3200 HN7 1758TM3P C2' -0.18 2.010 CN8 1759TM3P H21' 0.09 1.3400 HN8 1760TM3P H22' 0.09 1.3400 HN8 1761TM3P C3' -0.09 2.275 CN7 1762TM3P H31' 0.09 1.3200 HN7 1763TM3P O3' -0.40 1.77 ON2 1764TM3P P 1.10 2.15 P 1765TM3P O1P -0.90 1.70 ON3 1766TM3P O2P -0.90 1.70 ON3 1767TM3P O3P -0.90 1.70 ON3 1768TM3P C5' -0.27 2.010 CN8B 1769TM3P H51' 0.09 1.3400 HN8 1770TM3P H52' 0.09 1.3400 HN8 1771TM3P H53' 0.09 1.3400 HN8 1772RM3P O4' -0.50 1.77 ON6B 1773RM3P C1' 0.07 2.275 CN7B 1774RM3P H11' 0.09 1.3200 HN7 1775RM3P H12' 0.09 1.3200 HN7 1776RM3P C4' 0.16 2.275 CN7 1777RM3P H42' 0.09 1.3200 HN7 1778RM3P C2' -0.18 2.275 CN7B 1779RM3P H21' 0.09 1.3200 HN7 1780RM3P H22' 0.09 1.3200 HN7 1781RM3P C3' -0.09 2.275 CN7 1782RM3P H31' 0.09 1.3200 HN7 1783RM3P O3' -0.40 1.77 ON2 1784RM3P P 1.10 2.15 P 1785RM3P O1P -0.90 1.70 ON3 1786RM3P O2P -0.90 1.70 ON3 1787RM3P O3P -0.90 1.70 ON3 1788RM3P C5' -0.27 2.010 CN8B 1789RM3P H51' 0.09 1.3400 HN8 1790RM3P H52' 0.09 1.3400 HN8 1791RM3P H53' 0.09 1.3400 HN8 1792T35P O4' -0.50 1.77 ON6 1793T35P C1' 0.07 2.275 CN7B 1794T35P H1' 0.09 1.3200 HN7 1795T35P H1'' 0.09 1.3200 HN7 1796T35P C4' 0.16 2.275 CN7 1797T35P H4'' 0.09 1.3200 HN7 1798T35P C2' -0.18 2.010 CN8 1799T35P H2' 0.09 1.3400 HN8 1800T35P H2'' 0.09 1.3400 HN8 1801T35P C3' -0.09 2.275 CN7 1802T35P H3' 0.09 1.3200 HN7 1803T35P O3' -0.40 1.77 ON2 1804T35P P3 1.10 2.15 P 1805T35P O31P -0.90 1.70 ON3 1806T35P O32P -0.90 1.70 ON3 1807T35P O33P -0.90 1.70 ON3 1808T35P C5' -0.18 2.010 CN8B 1809T35P H5' 0.09 1.3400 HN8 1810T35P H5'' 0.09 1.3400 HN8 1811T35P O5' -0.40 1.77 ON2 1812T35P P 1.10 2.15 P 1813T35P O1P -0.90 1.70 ON3 1814T35P O2P -0.90 1.70 ON3 1815T35P O3P -0.90 1.70 ON3 1816T2FU O4' -0.50 1.77 ON6 1817T2FU C1' 0.07 2.275 CN7B 1818T2FU C4' 0.07 2.275 CN7 1819T2FU H11' 0.09 1.3200 HN7 1820T2FU H12' 0.09 1.3200 HN7 1821T2FU H41' 0.09 1.3200 HN7 1822T2FU H42' 0.09 1.3200 HN7 1823T2FU C2' 0.14 2.275 CN7C 1824T2FU H22' 0.09 1.3200 HN7 1825T2FU F2' -0.23 1.70 FN1 1826T2FU C3' -0.09 2.275 CN7 1827T2FU H31' 0.09 1.3200 HN7 1828T2FU O3' -0.40 1.77 ON2 1829T2FU P 1.10 2.15 P 1830T2FU O1P -0.90 1.70 ON3 1831T2FU O2P -0.90 1.70 ON3 1832T2FU O3P -0.90 1.70 ON3 1833TMFU O4' -0.50 1.77 ON6 1834TMFU C1' 0.07 2.275 CN7B 1835TMFU H11' 0.09 1.3200 HN7 1836TMFU H12' 0.09 1.3200 HN7 1837TMFU C4' 0.16 2.275 CN7 1838TMFU H42' 0.09 1.3200 HN7 1839TMFU C2' 0.19 2.275 CN7C 1840TMFU H22' 0.09 1.3200 HN7 1841TMFU F2' -0.28 1.70 FN1 1842TMFU C3' -0.09 2.275 CN7 1843TMFU H31' 0.09 1.3200 HN7 1844TMFU O3' -0.40 1.77 ON2 1845TMFU P 1.10 2.15 P 1846TMFU O1P -0.90 1.70 ON3 1847TMFU O2P -0.90 1.70 ON3 1848TMFU O3P -0.90 1.70 ON3 1849TMFU C5' -0.27 2.010 CN8B 1850TMFU H51' 0.09 1.3400 HN8 1851TMFU H52' 0.09 1.3400 HN8 1852TMFU H53' 0.09 1.3400 HN8 1853T2FD O4' -0.50 1.77 ON6 1854T2FD C1' 0.07 2.275 CN7B 1855T2FD C4' 0.07 2.275 CN7 1856T2FD H11' 0.09 1.3200 HN7 1857T2FD H12' 0.09 1.3200 HN7 1858T2FD H41' 0.09 1.3200 HN7 1859T2FD H42' 0.09 1.3200 HN7 1860T2FD C2' 0.14 2.275 CN7C 1861T2FD H21' 0.09 1.3200 HN7 1862T2FD F2' -0.23 1.70 FN1 1863T2FD C3' -0.09 2.275 CN7 1864T2FD H31' 0.09 1.3200 HN7 1865T2FD O3' -0.40 1.77 ON2 1866T2FD P 1.10 2.15 P 1867T2FD O1P -0.90 1.70 ON3 1868T2FD O2P -0.90 1.70 ON3 1869T2FD O3P -0.90 1.70 ON3 1870TMFD O4' -0.50 1.77 ON6 1871TMFD C1' 0.07 2.275 CN7B 1872TMFD H11' 0.09 1.3200 HN7 1873TMFD H12' 0.09 1.3200 HN7 1874TMFD C4' 0.16 2.275 CN7 1875TMFD H42' 0.09 1.3200 HN7 1876TMFD C2' 0.19 2.275 CN7D 1877TMFD H21' 0.09 1.3200 HN7 1878TMFD F2' -0.28 1.70 FN1 1879TMFD C3' -0.09 2.275 CN7 1880TMFD H31' 0.09 1.3200 HN7 1881TMFD O3' -0.40 1.77 ON2 1882TMFD P 1.10 2.15 P 1883TMFD O1P -0.90 1.70 ON3 1884TMFD O2P -0.90 1.70 ON3 1885TMFD O3P -0.90 1.70 ON3 1886TMFD C5' -0.27 2.010 CN8B 1887TMFD H51' 0.09 1.3400 HN8 1888TMFD H52' 0.09 1.3400 HN8 1889TMFD H53' 0.09 1.3400 HN8 1890ARMO O4' -0.50 1.77 ON6 1891ARMO C1' 0.07 2.010 CN8 1892ARMO H11' 0.09 1.3200 HN7 1893ARMO H12' 0.09 1.3200 HN7 1894ARMO C4' 0.16 2.275 CN7 1895ARMO H42' 0.09 1.3200 HN7 1896ARMO C2' 0.14 2.275 CN7 1897ARMO H22' 0.09 1.3200 HN7 1898ARMO O2' -0.66 1.77 ON5 1899ARMO H21' 0.43 0.2245 HN5 1900ARMO C3' 0.14 2.275 CN7 1901ARMO H31' 0.09 1.3200 HN7 1902ARMO O3' -0.66 1.77 ON5 1903ARMO H32' 0.43 0.2245 HN5 1904ARMO C5' -0.27 2.010 CN8B 1905ARMO H51' 0.09 1.3400 HN8 1906ARMO H52' 0.09 1.3400 HN8 1907ARMO H53' 0.09 1.3400 HN8 1908THFA O4' -0.50 1.77 ON6 1909THFA C4' 0.16 2.275 CN7 1910THFA H42' 0.09 1.3200 HN7 1911THFA C1' 0.16 2.275 CN7B 1912THFA H12' 0.09 1.3200 HN7 1913THFA C2' -0.18 2.010 CN8 1914THFA H21' 0.09 1.3400 HN8 1915THFA H22' 0.09 1.3400 HN8 1916THFA H31' 0.09 1.3200 HN7 1917THFA C3' 0.14 2.275 CN7 1918THFA O3' -0.66 1.77 ON5 1919THFA H32' 0.43 0.2245 HN5 1920THFA C5' -0.27 2.010 CN8B 1921THFA H51' 0.09 1.3400 HN8 1922THFA H52' 0.09 1.3400 HN8 1923THFA H53' 0.09 1.3400 HN8 1924THFA CG -0.05 1.800000 CPH1 1925THFA HG 0.09 1.468000 HR3 1926THFA CD2 0.22 1.800000 CPH1 1927THFA HD2 0.10 1.468000 HR3 1928THFA ND1 -0.04 1.850000 NR1 1929THFA CE1 0.25 1.800000 CPH2 1930THFA HE1 0.13 0.900000 HR1 1931THFA NE2 -0.70 1.850000 NR2 1932ARAO O4' -0.50 1.77 ON6 1933ARAO C1' 0.07 2.010 CN8 1934ARAO H11' 0.09 1.3400 HN8 1935ARAO H12' 0.09 1.3400 HN8 1936ARAO C4' 0.07 2.010 CN8B 1937ARAO H41' 0.09 1.3400 HN8 1938ARAO H42' 0.09 1.3400 HN8 1939ARAO C2' 0.14 2.275 CN7 1940ARAO H22' 0.09 1.3200 HN7 1941ARAO O2' -0.66 1.77 ON5 1942ARAO H21' 0.43 0.2245 HN5 1943ARAO C3' 0.14 2.275 CN7 1944ARAO H31' 0.09 1.3200 HN7 1945ARAO O3' -0.66 1.77 ON5 1946ARAO H32' 0.43 0.2245 HN5 1947ARIM O4' -0.50 1.77 ON6 1948ARIM C1' 0.16 2.275 CN7B 1949ARIM H12' 0.09 1.3200 HN7 1950ARIM C4' 0.07 2.010 CN8 1951ARIM H41' 0.09 1.3400 HN8 1952ARIM H42' 0.09 1.3400 HN8 1953ARIM C3' -0.18 2.010 CN8 1954ARIM H31' 0.09 1.3400 HN8 1955ARIM H32' 0.09 1.3400 HN8 1956ARIM C2' 0.14 2.275 CN7 1957ARIM H22' 0.09 1.3200 HN7 1958ARIM O2' -0.66 1.77 ON5 1959ARIM H21' 0.43 0.2245 HN5 1960ARIM CG -0.05 1.800000 CPH1 1961ARIM HG 0.09 1.468000 HR3 1962ARIM CD2 0.22 1.800000 CPH1 1963ARIM HD2 0.10 1.468000 HR3 1964ARIM ND1 -0.04 1.850000 NR1 1965ARIM CE1 0.25 1.800000 CPH2 1966ARIM HE1 0.13 0.900000 HR1 1967ARIM NE2 -0.70 1.850000 NR2 1968AR3P O4' -0.50 1.77 ON6 1969AR3P C1' 0.07 2.010 CN8 1970AR3P C4' 0.07 2.010 CN8B 1971AR3P H11' 0.09 1.3400 HN8 1972AR3P H12' 0.09 1.3400 HN8 1973AR3P H41' 0.09 1.3400 HN8 1974AR3P H42' 0.09 1.3400 HN8 1975AR3P C2' 0.14 2.275 CN7 1976AR3P H22' 0.09 1.3200 HN7 1977AR3P O2' -0.66 1.77 ON5 1978AR3P H21' 0.43 0.2245 HN5 1979AR3P C3' -0.09 2.275 CN7 1980AR3P H31' 0.09 1.3200 HN7 1981AR3P O3' -0.40 1.77 ON5 1982AR3P P 1.10 2.15 P 1983AR3P O1P -0.90 1.70 ON3 1984AR3P O2P -0.90 1.70 ON3 1985AR3P O3P -0.90 1.70 ON3 1986RIBO O4' -0.50 1.77 ON6 1987RIBO C1' 0.07 2.010 CN8 1988RIBO C4' 0.07 2.010 CN8B 1989RIBO H11' 0.09 1.3400 HN8 1990RIBO H12' 0.09 1.3400 HN8 1991RIBO H41' 0.09 1.3400 HN8 1992RIBO H42' 0.09 1.3400 HN8 1993RIBO C2' 0.14 2.275 CN7 1994RIBO H21' 0.09 1.3200 HN7 1995RIBO O2' -0.66 1.77 ON5 1996RIBO H22' 0.43 0.2245 HN5 1997RIBO C3' 0.14 2.275 CN7 1998RIBO H31' 0.09 1.3200 HN7 1999RIBO O3' -0.66 1.77 ON5 2000RIBO H32' 0.43 0.2245 HN5 2001TMPM O4' -0.50 1.77 ON6 2002TMPM C1' 0.07 2.010 CN8 2003TMPM H11' 0.09 1.3400 HN8 2004TMPM H12' 0.09 1.3400 HN8 2005TMPM C4' 0.16 2.275 CN7 2006TMPM H42' 0.09 1.3200 HN7 2007TMPM C2' -0.18 2.010 CN8 2008TMPM H21' 0.09 1.3400 HN8 2009TMPM H22' 0.09 1.3400 HN8 2010TMPM C3' 0.01 2.275 CN7 2011TMPM H31' 0.09 1.3200 HN7 2012TMPM O3' -0.57 1.77 ON2 2013TMPM P 1.50 2.15 P 2014TMPM O1P -0.78 1.70 ON3 2015TMPM O2P -0.78 1.70 ON3 2016TMPM O3P -0.57 1.77 ON2 2017TMPM C3T -0.17 2.040 CN9 2018TMPM H3T1 0.09 1.3400 HN9 2019TMPM H3T2 0.09 1.3400 HN9 2020TMPM H3T3 0.09 1.3400 HN9 2021TMPM C5' -0.27 2.010 CN8B 2022TMPM H51' 0.09 1.3400 HN8 2023TMPM H52' 0.09 1.3400 HN8 2024TMPM H53' 0.09 1.3400 HN8 2025TADE C5 0.28 1.9000 CN5 2026TADE N7 -0.71 1.85 NN4 2027TADE C8 0.34 1.9000 CN4 2028TADE H8 0.12 1.1000 HN3 2029TADE N9 -0.05 1.85 NN2 2030TADE C1' 0.16 2.275 CN7B 2031TADE N1 -0.74 1.85 NN3A 2032TADE C2 0.50 1.9000 CN4 2033TADE H2 0.13 1.1000 HN3 2034TADE N3 -0.75 1.85 NN3A 2035TADE C4 0.43 1.9000 CN5 2036TADE C6 0.46 1.9000 CN2 2037TADE N6 -0.77 1.85 NN1 2038TADE H61 0.38 0.2245 HN1 2039TADE H62 0.38 0.2245 HN1 2040TADE O4' -0.50 1.77 ON6 2041TADE H12' 0.09 1.3200 HN7 2042TADE C4' 0.07 2.275 CN7 2043TADE H41' 0.09 1.3200 HN7 2044TADE H42' 0.09 1.3200 HN7 2045TADE C2' -0.18 2.010 CN8 2046TADE H21' 0.09 1.3400 HN8 2047TADE H22' 0.09 1.3400 HN8 2048TADE C3' -0.18 2.275 CN7 2049TADE H31' 0.09 1.3200 HN7 2050TADE H32' 0.09 1.3200 HN7 2051TCYT N1 -0.13 1.85 NN2 2052TCYT C1' 0.16 2.275 CN7B 2053TCYT C6 0.05 1.9000 CN3 2054TCYT H6 0.17 1.1000 HN3 2055TCYT C2 0.52 1.9000 CN1 2056TCYT O2 -0.49 1.70 ON1C 2057TCYT N3 -0.66 1.85 NN3 2058TCYT C4 0.65 1.9000 CN2 2059TCYT N4 -0.75 1.85 NN1 2060TCYT H41 0.37 0.2245 HN1 2061TCYT H42 0.33 0.2245 HN1 2062TCYT C5 -0.13 1.9000 CN3 2063TCYT H5 0.07 1.1000 HN3 2064TCYT O4' -0.50 1.77 ON6 2065TCYT H12' 0.09 1.3200 HN7 2066TCYT C4' 0.07 2.275 CN7 2067TCYT H41' 0.09 1.3200 HN7 2068TCYT H42' 0.09 1.3200 HN7 2069TCYT C2' -0.18 2.010 CN8 2070TCYT H21' 0.09 1.3400 HN8 2071TCYT H22' 0.09 1.3400 HN8 2072TCYT C3' -0.18 2.275 CN7 2073TCYT H31' 0.09 1.3200 HN7 2074TCYT H32' 0.09 1.3200 HN7 2075TGUA N9 -0.02 1.85 NN2B 2076TGUA C4 0.26 1.9000 CN5 2077TGUA C1' 0.16 2.275 CN7B 2078TGUA N3 -0.74 1.85 NN3G 2079TGUA C2 0.75 1.9000 CN2 2080TGUA N1 -0.34 1.85 NN2G 2081TGUA H1 0.26 0.2245 HN2 2082TGUA N2 -0.68 1.85 NN1 2083TGUA H21 0.32 0.2245 HN1 2084TGUA H22 0.35 0.2245 HN1 2085TGUA C6 0.54 1.9000 CN1 2086TGUA O6 -0.51 1.70 ON1 2087TGUA C5 0.00 1.9000 CN5G 2088TGUA N7 -0.60 1.85 NN4 2089TGUA C8 0.25 1.9000 CN4 2090TGUA H8 0.16 1.1000 HN3 2091TGUA O4' -0.50 1.77 ON6 2092TGUA H12' 0.09 1.3200 HN7 2093TGUA C4' 0.07 2.275 CN7 2094TGUA H41' 0.09 1.3200 HN7 2095TGUA H42' 0.09 1.3200 HN7 2096TGUA C2' -0.18 2.010 CN8 2097TGUA H21' 0.09 1.3400 HN8 2098TGUA H22' 0.09 1.3400 HN8 2099TGUA C3' -0.18 2.275 CN7 2100TGUA H31' 0.09 1.3200 HN7 2101TGUA H32' 0.09 1.3200 HN7 2102TTHY N1 -0.34 1.85 NN2B 2103TTHY C1' 0.16 2.275 CN7B 2104TTHY C6 0.17 1.9000 CN3 2105TTHY H6 0.17 1.1000 HN3 2106TTHY C2 0.51 1.9000 CN1T 2107TTHY O2 -0.41 1.70 ON1 2108TTHY N3 -0.46 1.85 NN2U 2109TTHY H3 0.36 0.2245 HN2 2110TTHY C4 0.50 1.9000 CN1 2111TTHY O4 -0.45 1.70 ON1 2112TTHY C5 -0.15 1.9000 CN3T 2113TTHY C5M -0.11 2.040 CN9 2114TTHY H51 0.07 1.3400 HN9 2115TTHY H52 0.07 1.3400 HN9 2116TTHY H53 0.07 1.3400 HN9 2117TTHY O4' -0.50 1.77 ON6 2118TTHY H12' 0.09 1.3200 HN7 2119TTHY C4' 0.07 2.275 CN7 2120TTHY H41' 0.09 1.3200 HN7 2121TTHY H42' 0.09 1.3200 HN7 2122TTHY C2' -0.18 2.010 CN8 2123TTHY H21' 0.09 1.3400 HN8 2124TTHY H22' 0.09 1.3400 HN8 2125TTHY C3' -0.18 2.275 CN7 2126TTHY H31' 0.09 1.3200 HN7 2127TTHY H32' 0.09 1.3200 HN7 2128TURA N1 -0.34 1.85 NN2B 2129TURA C1' 0.16 2.275 CN7B 2130TURA C6 0.20 1.9000 CN3 2131TURA H6 0.14 1.1000 HN3 2132TURA C2 0.55 1.9000 CN1T 2133TURA O2 -0.45 1.70 ON1 2134TURA N3 -0.46 1.85 NN2U 2135TURA H3 0.36 0.2245 HN2 2136TURA C4 0.53 1.9000 CN1 2137TURA O4 -0.48 1.70 ON1 2138TURA C5 -0.15 1.9000 CN3 2139TURA H5 0.10 1.1000 HN3 2140TURA O4' -0.50 1.77 ON6 2141TURA H12' 0.09 1.3200 HN7 2142TURA C4' 0.07 2.275 CN7 2143TURA H41' 0.09 1.3200 HN7 2144TURA H42' 0.09 1.3200 HN7 2145TURA C2' -0.18 2.010 CN8 2146TURA H21' 0.09 1.3400 HN8 2147TURA H22' 0.09 1.3400 HN8 2148TURA C3' -0.18 2.275 CN7 2149TURA H31' 0.09 1.3200 HN7 2150TURA H32' 0.09 1.3200 HN7 2151THAO O4' -0.50 1.77 ON6 2152THAO C4' 0.16 2.275 CN7 2153THAO H42' 0.09 1.3200 HN7 2154THAO C1' 0.16 2.275 CN7B 2155THAO H12' 0.09 1.3200 HN7 2156THAO C2' -0.18 2.010 CN8 2157THAO H21' 0.09 1.3400 HN8 2158THAO H22' 0.09 1.3400 HN8 2159THAO H31' 0.09 1.3200 HN7 2160THAO C3' 0.14 2.275 CN7 2161THAO O3' -0.66 1.77 ON5 2162THAO H32' 0.43 0.2245 HN5 2163THAO C5' 0.05 2.010 CN8B 2164THAO H51' 0.09 1.3400 HN8 2165THAO H52' 0.09 1.3400 HN8 2166THAO O5' -0.66 1.77 ON5 2167THAO H5T 0.43 0.2245 HN5 2168THAO CG -0.05 1.800000 CPH1 2169THAO HG 0.09 1.468000 HR3 2170THAO CD2 0.22 1.800000 CPH1 2171THAO HD2 0.10 1.468000 HR3 2172THAO ND1 -0.04 1.850000 NR1 2173THAO CE1 0.25 1.800000 CPH2 2174THAO HE1 0.13 0.900000 HR1 2175THAO NE2 -0.70 1.850000 NR2 2176NUSA O4' -0.50 1.77 ON6 2177NUSA C4' 0.16 2.275 CN7 2178NUSA H42' 0.09 1.3200 HN7 2179NUSA C1' 0.16 2.275 CN7B 2180NUSA H12' 0.09 1.3200 HN7 2181NUSA C2' -0.18 2.010 CN8 2182NUSA H21' 0.09 1.3400 HN8 2183NUSA H22' 0.09 1.3400 HN8 2184NUSA C5 0.28 1.9000 CN5 2185NUSA N7 -0.71 1.85 NN4 2186NUSA C8 0.34 1.9000 CN4 2187NUSA H8 0.12 1.1000 HN3 2188NUSA N9 -0.05 1.85 NN2 2189NUSA N1 -0.74 1.85 NN3A 2190NUSA C2 0.50 1.9000 CN4 2191NUSA H2 0.13 1.1000 HN3 2192NUSA N3 -0.75 1.85 NN3A 2193NUSA C4 0.43 1.9000 CN5 2194NUSA C6 0.46 1.9000 CN2 2195NUSA N6 -0.77 1.85 NN1 2196NUSA H61 0.38 0.2245 HN1 2197NUSA H62 0.38 0.2245 HN1 2198NUSA H31' 0.09 1.3200 HN7 2199NUSA C3' 0.14 2.275 CN7 2200NUSA O3' -0.66 1.77 ON5 2201NUSA H32' 0.43 0.2245 HN5 2202NUSA C5' 0.05 2.010 CN8B 2203NUSA H51' 0.09 1.3400 HN8 2204NUSA H52' 0.09 1.3400 HN8 2205NUSA O5' -0.66 1.77 ON5 2206NUSA H5T 0.43 0.2245 HN5 2207NUSG O4' -0.50 1.77 ON6 2208NUSG C4' 0.16 2.275 CN7 2209NUSG H42' 0.09 1.3200 HN7 2210NUSG C1' 0.16 2.275 CN7B 2211NUSG H12' 0.09 1.3200 HN7 2212NUSG C2' -0.18 2.010 CN8 2213NUSG H21' 0.09 1.3400 HN8 2214NUSG H22' 0.09 1.3400 HN8 2215NUSG N9 -0.02 1.85 NN2B 2216NUSG C4 0.26 1.9000 CN5 2217NUSG N3 -0.74 1.85 NN3G 2218NUSG C2 0.75 1.9000 CN2 2219NUSG N1 -0.34 1.85 NN2G 2220NUSG H1 0.26 0.2245 HN2 2221NUSG N2 -0.68 1.85 NN1 2222NUSG H21 0.32 0.2245 HN1 2223NUSG H22 0.35 0.2245 HN1 2224NUSG C6 0.54 1.9000 CN1 2225NUSG O6 -0.51 1.70 ON1 2226NUSG C5 0.00 1.9000 CN5G 2227NUSG N7 -0.60 1.85 NN4 2228NUSG C8 0.25 1.9000 CN4 2229NUSG H8 0.16 1.1000 HN3 2230NUSG H31' 0.09 1.3200 HN7 2231NUSG C3' 0.14 2.275 CN7 2232NUSG O3' -0.66 1.77 ON5 2233NUSG H32' 0.43 0.2245 HN5 2234NUSG C5' 0.05 2.010 CN8B 2235NUSG H51' 0.09 1.3400 HN8 2236NUSG H52' 0.09 1.3400 HN8 2237NUSG O5' -0.66 1.77 ON5 2238NUSG H5T 0.43 0.2245 HN5 2239NUSC O4' -0.50 1.77 ON6 2240NUSC C4' 0.16 2.275 CN7 2241NUSC H42' 0.09 1.3200 HN7 2242NUSC C1' 0.16 2.275 CN7B 2243NUSC H12' 0.09 1.3200 HN7 2244NUSC C2' -0.18 2.010 CN8 2245NUSC H21' 0.09 1.3400 HN8 2246NUSC H22' 0.09 1.3400 HN8 2247NUSC N1 -0.13 1.85 NN2 2248NUSC C6 0.05 1.9000 CN3 2249NUSC H6 0.17 1.1000 HN3 2250NUSC C2 0.52 1.9000 CN1 2251NUSC O2 -0.49 1.70 ON1C 2252NUSC N3 -0.66 1.85 NN3 2253NUSC C4 0.65 1.9000 CN2 2254NUSC N4 -0.75 1.85 NN1 2255NUSC H41 0.37 0.2245 HN1 2256NUSC H42 0.33 0.2245 HN1 2257NUSC C5 -0.13 1.9000 CN3 2258NUSC H5 0.07 1.1000 HN3 2259NUSC H31' 0.09 1.3200 HN7 2260NUSC C3' 0.14 2.275 CN7 2261NUSC O3' -0.66 1.77 ON5 2262NUSC H32' 0.43 0.2245 HN5 2263NUSC C5' 0.05 2.010 CN8B 2264NUSC H51' 0.09 1.3400 HN8 2265NUSC H52' 0.09 1.3400 HN8 2266NUSC O5' -0.66 1.77 ON5 2267NUSC H5T 0.43 0.2245 HN5 2268NUST O4' -0.50 1.77 ON6 2269NUST C4' 0.16 2.275 CN7 2270NUST H42' 0.09 1.3200 HN7 2271NUST C1' 0.16 2.275 CN7B 2272NUST H12' 0.09 1.3200 HN7 2273NUST C2' -0.18 2.010 CN8 2274NUST H21' 0.09 1.3400 HN8 2275NUST H22' 0.09 1.3400 HN8 2276NUST N1 -0.34 1.85 NN2B 2277NUST C6 0.17 1.9000 CN3 2278NUST H6 0.17 1.1000 HN3 2279NUST C2 0.51 1.9000 CN1T 2280NUST O2 -0.41 1.70 ON1 2281NUST N3 -0.46 1.85 NN2U 2282NUST H3 0.36 0.2245 HN2 2283NUST C4 0.50 1.9000 CN1 2284NUST O4 -0.45 1.70 ON1 2285NUST C5 -0.15 1.9000 CN3T 2286NUST C5M -0.11 2.040 CN9 2287NUST H51 0.07 1.3400 HN9 2288NUST H52 0.07 1.3400 HN9 2289NUST H53 0.07 1.3400 HN9 2290NUST H31' 0.09 1.3200 HN7 2291NUST C3' 0.14 2.275 CN7 2292NUST O3' -0.66 1.77 ON5 2293NUST H32' 0.43 0.2245 HN5 2294NUST C5' 0.05 2.010 CN8B 2295NUST H51' 0.09 1.3400 HN8 2296NUST H52' 0.09 1.3400 HN8 2297NUST O5' -0.66 1.77 ON5 2298NUST H5T 0.43 0.2245 HN5 2299NUSU O4' -0.50 1.77 ON6 2300NUSU C4' 0.16 2.275 CN7 2301NUSU H42' 0.09 1.3200 HN7 2302NUSU C1' 0.16 2.275 CN7B 2303NUSU H12' 0.09 1.3200 HN7 2304NUSU C2' -0.18 2.010 CN8 2305NUSU H21' 0.09 1.3400 HN8 2306NUSU H22' 0.09 1.3400 HN8 2307NUSU N1 -0.34 1.85 NN2B 2308NUSU C6 0.20 1.9000 CN3 2309NUSU H6 0.14 1.1000 HN3 2310NUSU C2 0.55 1.9000 CN1T 2311NUSU O2 -0.45 1.70 ON1 2312NUSU N3 -0.46 1.85 NN2U 2313NUSU H3 0.36 0.2245 HN2 2314NUSU C4 0.53 1.9000 CN1 2315NUSU O4 -0.48 1.70 ON1 2316NUSU C5 -0.15 1.9000 CN3 2317NUSU H5 0.10 1.1000 HN3 2318NUSU H31' 0.09 1.3200 HN7 2319NUSU C3' 0.14 2.275 CN7 2320NUSU O3' -0.66 1.77 ON5 2321NUSU H32' 0.43 0.2245 HN5 2322NUSU C5' 0.05 2.010 CN8B 2323NUSU H51' 0.09 1.3400 HN8 2324NUSU H52' 0.09 1.3400 HN8 2325NUSU O5' -0.66 1.77 ON5 2326NUSU H5T 0.43 0.2245 HN5 2327RNUS O4' -0.50 1.77 ON6B 2328RNUS C4' 0.16 2.275 CN7 2329RNUS H42' 0.09 1.3200 HN7 2330RNUS C1' 0.16 2.275 CN7B 2331RNUS H12' 0.09 1.3200 HN7 2332RNUS C2' 0.14 2.275 CN7B 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0.2245 HN1 2437RNUC C5 -0.13 1.9000 CN3 2438RNUC H5 0.07 1.1000 HN3 2439RNUC H31' 0.09 1.3200 HN7 2440RNUC C3' 0.14 2.275 CN7 2441RNUC O3' -0.66 1.77 ON5 2442RNUC H32' 0.43 0.2245 HN5 2443RNUC C5' 0.05 2.010 CN8B 2444RNUC H51' 0.09 1.3400 HN8 2445RNUC H52' 0.09 1.3400 HN8 2446RNUC O5' -0.66 1.77 ON5 2447RNUC H5T 0.43 0.2245 HN5 2448NUCL O4' -0.50 1.77 ON6 2449NUCL C1' 0.16 2.275 CN7B 2450NUCL H12' 0.09 1.3200 HN7 2451NUCL C4' 0.16 2.275 CN7 2452NUCL H42' 0.09 1.3200 HN7 2453NUCL CG -0.05 1.800000 CPH1 2454NUCL HG 0.09 1.468000 HR3 2455NUCL CD2 0.22 1.800000 CPH1 2456NUCL HD2 0.10 1.468000 HR3 2457NUCL ND1 -0.04 1.850000 NR1 2458NUCL CE1 0.25 1.800000 CPH2 2459NUCL HE1 0.13 0.900000 HR1 2460NUCL NE2 -0.70 1.850000 NR2 2461NUCL C2' -0.18 2.010 CN8 2462NUCL H21' 0.09 1.3400 HN8 2463NUCL H22' 0.09 1.3400 HN8 2464NUCL C3' 0.01 2.275 CN7 2465NUCL H31' 0.09 1.3200 HN7 2466NUCL O3' -0.57 1.77 ON2 2467NUCL P 1.50 2.15 P 2468NUCL O1P -0.78 1.70 ON3 2469NUCL O2P -0.78 1.70 ON3 2470NUCL O3P -0.57 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2540NTHY C3' 0.01 2.275 CN7 2541NTHY H31' 0.09 1.3200 HN7 2542NTHY O3' -0.57 1.77 ON2 2543NTHY P 1.50 2.15 P 2544NTHY O1P -0.78 1.70 ON3 2545NTHY O2P -0.78 1.70 ON3 2546NTHY O3P -0.57 1.77 ON2 2547NTHY C3T -0.17 2.010 CN8B 2548NTHY H3T1 0.09 1.3200 HN7 2549NTHY H3T2 0.09 1.3200 HN7 2550NTHY H3T3 0.09 1.3200 HN7 2551NTHY C5' 0.05 2.010 CN8B 2552NTHY H51' 0.09 1.3400 HN8 2553NTHY H52' 0.09 1.3400 HN8 2554NTHY H5T 0.43 0.2245 HN5 2555NTHY O5' -0.66 1.77 ON5 2556FEX1 C2' 0.19 2.275 CN7D 2557FEX1 F2' -0.28 1.70 FN1 2558FEX1 H2'' 0.09 1.3200 HN7 2559FEX2 C2' 0.19 2.275 CN7D 2560FEX2 F2' -0.28 1.70 FN1 2561FEX2 H2'' 0.09 1.3200 HN7 2562FEN1 C2' 0.19 2.275 CN7D 2563FEN1 F2' -0.28 1.70 FN1 2564FEN1 H2' 0.09 1.3200 HN7 2565FEN2 C2' 0.19 2.275 CN7D 2566FEN2 F2' -0.28 1.70 FN1 2567FEN2 H2' 0.09 1.3200 HN7 2568SEP N -0.30 1.8500 NH1 2569SEP HN 0.33 0.2245 H 2570SEP CA 0.21 2.2750 CT1 2571SEP HA 0.10 1.3200 HB 2572SEP CB -0.181 2.1750 CT2 2573SEP HB1 0.088 1.3200 HA 2574SEP HB2 0.088 1.3200 HA 2575SEP OG -0.401 1.7700 ON2 2576SEP P 1.099 2.1500 P 2577SEP O1P -0.901 1.7000 ON3 2578SEP O2P -0.901 1.7000 ON3 2579SEP O3P -0.901 1.7000 ON3 2580SEP C 0.34 2.0000 C 2581SEP O -0.67 1.7000 O 2582SEP1 N -0.30 1.8500 NH1 2583SEP1 HN 0.33 0.2245 H 2584SEP1 CA 0.21 2.2750 CT1 2585SEP1 HA 0.10 1.3200 HB 2586SEP1 CB -0.081 2.1750 CT2 2587SEP1 HB1 0.088 1.3200 HA 2588SEP1 HB2 0.088 1.3200 HA 2589SEP1 OG -0.621 1.7700 OH1 2590SEP1 P 1.499 2.1500 P 2591SEP1 O1P -0.821 1.7000 ON3 2592SEP1 O2P -0.821 1.7000 ON3 2593SEP1 O3P -0.681 1.7700 ON4 2594SEP1 HT 0.34 0.2245 H 2595SEP1 C 0.34 2.0000 C 2596SEP1 O -0.67 1.7000 O 2597DUM DUM 0.00 0.000000 DUM 2598