*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-DEC-07 2JZ2 *TITLE SOLUTION NMR STRUCTURE OF SSL0352 PROTEIN FROM *TITLE 2 SYNECHOCYSTIS SP. PCC 6803. NORTHEAST STRUCTURAL GENOMICS *TITLE 3 CONSORTIUM TARGET SGR42 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SSL0352 PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 STRAIN: PCC 6803; *SOURCE 5 GENE: SSL0352; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21-23C *KEYWDS SH3-LIKE, SYNECHOCYSTIS SP. PCC 6803, SSL0352 PROTEIN, *KEYWDS 2 TARGET SGR42, PSI, PROTEIN STRUCTURE INITIATIVE, NORTHEAST *KEYWDS 3 STRUCTURAL GENOMICS CONSORTIUM, NESG, STRUCTURAL GENOMICS, *KEYWDS 4 UNKNOWN FUNCTION *EXPDTA NMR, 20 STRUCTURES *AUTHOR A.ELETSKY, D.SUKUMARAN, D.WANG, K.HAMILTON, E.L.FOOTE, *AUTHOR 2 R.XIAO, J.LIU, M.C.BARAN, G.V.T.SWAPNA, T.B.ACTON, B.ROST, *AUTHOR 3 G.T.MONTELIONE, T.SZYPERSKI, NORTHEAST STRUCTURAL GENOMICS *AUTHOR 4 CONSORTIUM (NESG) *REVDAT 1 22-JAN-08 2JZ2 0 8 VAL H 8 VAL HB 3.76 #peak 3 7 THR HB 8 VAL H 3.95 #peak 4 51 GLU H 51 GLU HB 4.15 #peak 5 32 ALA HA 33 ALA H 2.59 #peak 9 58 ILE HA 59 LEU H 2.65 #peak 12 26 ARG H 33 ALA H 3.08 #peak 13 25 GLN HB2 26 ARG H 3.64 #peak 15 25 GLN H 26 ARG H 2.77 #peak 16 28 SER HB 29 ASP H 5.02 #peak 21 28 SER H 31 LYS H 3.67 #peak 30 29 ASP H 30 GLY H 3.70 #peak 38 55 VAL HA 56 LYS H 2.65 #peak 39 42 ASP HA 43 LYS H 2.74 #peak 397 41 TRP HB2 42 ASP H 3.76 #peak 45 22 GLY HA3 23 LEU H 2.96 #peak 48 32 ALA H 47 PHE H 3.21 #peak 217 22 GLY HA2 23 LEU H 2.96 #peak 376 41 TRP HA 42 ASP H 2.77 #peak 55 27 VAL HA 28 SER H 2.46 #peak 60 14 ASP H 14 ASP HB2 3.27 #peak 64 9 ARG HA 10 VAL H 2.68 #peak 67 34 VAL H 46 THR HA 3.61 #peak 70 12 ASN HB 13 VAL H 5.30 #peak 71 42 ASP H 42 ASP HB3 3.98 #peak 73 2 ILE HB 3 PHE H 3.83 #peak 74 20 PHE HA 21 GLU H 2.62 #peak 76 13 VAL H 13 VAL HB 3.11 #peak 77 35 LEU H 35 LEU HB3 2.93 #peak 80 59 LEU HA 60 GLU H 2.74 #peak 81 10 VAL H 10 VAL HB 3.02 #peak 82 2 ILE HA 3 PHE H 2.52 #peak 83 20 PHE HB2 21 GLU H 3.83 #peak 85 44 LEU HA 45 VAL H 2.62 #peak 99 21 GLU HB 22 GLY H 4.71 #peak 101 18 TYR H 18 TYR HB3 2.80 #peak 108 35 LEU H 35 LEU HB2 3.33 #peak 111 4 PRO HA 6 ALA H 3.48 #peak 129 41 TRP H 41 TRP HB2 3.33 #peak 131 60 GLU HA 61 HIS H 3.33 #peak 134 5 GLY H 6 ALA H 2.96 #peak 135 24 VAL H 24 VAL HB 2.93 #peak 145 15 ASP H 15 ASP HB2 2.93 #peak 153 9 ARG H 53 GLU H 2.99 #peak 218 43 LYS H 43 LYS HB2 3.58 #peak 155 26 ARG HA 27 VAL H 2.52 #peak 165 15 ASP H 15 ASP HB3 2.93 #peak 167 8 VAL H 22 GLY H 3.05 #peak 170 11 THR H 12 ASN H 3.02 #peak 172 19 ARG H 20 PHE H 3.39 #peak 386 35 LEU HA 45 VAL H 3.92 #peak 177 41 TRP H 41 TRP HB3 3.27 #peak 178 10 VAL HA 12 ASN H 3.61 #peak 184 26 ARG H 27 VAL H 3.92 #peak 195 33 ALA HA 46 THR H 4.04 #peak 197 6 ALA HA 7 THR H 2.59 #peak 198 46 THR HB 47 PHE H 3.76 #peak 199 31 LYS H 31 LYS HB3 3.39 #peak 203 30 GLY H 31 LYS H 2.96 #peak 210 13 VAL H 14 ASP H 2.99 #peak 228 7 THR H 7 THR HB 2.93 #peak 230 14 ASP H 15 ASP H 2.93 #peak 232 31 LYS HA 49 LEU H 3.14 #peak 233 31 LYS HB2 32 ALA H 3.89 #peak 238 40 ASN H 40 ASN HB3 4.04 #peak 242 40 ASN H 41 TRP H 3.55 #peak 243 31 LYS HA 32 ALA H 2.65 #peak 246 15 ASP HA 16 THR H 2.65 #peak 252 52 LEU H 52 LEU HB2 2.96 #peak 253 40 ASN HB3 41 TRP H 4.01 #peak 258 16 THR H 17 TYR H 3.64 #peak 260 48 ARG HB2 50 SER H 3.27 #peak 261 49 LEU HB2 50 SER H 3.14 #peak 262 49 LEU H 50 SER H 3.08 #peak 273 31 LYS HB3 32 ALA H 3.08 #peak 270 48 ARG HB2 51 GLU H 3.64 #peak 281 35 LEU HA 36 PHE H 2.65 #peak 287 51 GLU H 52 LEU H 2.87 #peak 227 51 GLU HB 52 LEU H 4.80 #peak 297 36 PHE H 43 LYS H 3.45 #peak 161 55 VAL H 55 VAL HB 3.11 #peak 301 23 LEU H 35 LEU H 3.24 #peak 370 36 PHE H 36 PHE HB2 3.27 #peak 311 17 TYR H 18 TYR H 3.17 #peak 193 32 ALA H 48 ARG HA 3.73 #peak 322 54 ALA HA 55 VAL H 2.49 #peak 333 34 VAL H 34 VAL HB 3.02 #peak 339 8 VAL HA 55 VAL H 2.99 #peak 345 55 VAL HB 56 LYS H 2.99 #peak 353 33 ALA HA 34 VAL H 2.59 #peak 355 30 GLY H 30 GLY HA2 2.83 #peak 359 48 ARG HA 49 LEU H 2.74 #peak 365 47 PHE HA 48 ARG H 2.83 #peak 367 25 GLN H 34 VAL HA 3.33 #peak 371 25 GLN H 33 ALA H 3.83 #peak 376 29 ASP HA 30 GLY H 3.08 #peak 383 19 ARG H 19 ARG HA 2.68 #peak 390 36 PHE HB2 37 GLU H 3.86 #peak 392 12 ASN HB 15 ASP H 4.96 #peak 399 16 THR H 16 THR HB 3.21 #peak 400 12 ASN HA 13 VAL H 2.49 #peak 403 25 GLN H 25 GLN HB3 3.76 #peak 410 18 TYR HA 19 ARG H 2.68 #peak 414 36 PHE HB3 37 GLU H 3.42 #peak 415 8 VAL HB 9 ARG H 2.83 #peak 421 57 PRO HA 58 ILE H 2.59 #peak 422 4 PRO HA 5 GLY H 2.56 #peak 426 49 LEU HB3 50 SER H 3.95 #peak 428 3 PHE H 3 PHE HB2 3.52 #peak 431 25 GLN H 35 LEU H 3.92 #peak 438 49 LEU H 51 GLU H 3.42 #peak 441 51 GLU H 51 GLU HG 4.18 #peak 7 58 ILE H 58 ILE HG12 4.11 #peak 14 56 LYS H 56 LYS HG 5.42 #peak 27 36 PHE HD 37 GLU H 6.64 #peak 105 37 GLU HG 38 ASN H 6.35 #peak 116 44 LEU HG 45 VAL H 3.55 #peak 127 9 ARG H 53 GLU HG 5.48 #peak 151 17 TYR HE 45 VAL H 7.51 #peak 181 45 VAL H 47 PHE HE 6.95 #peak 185 12 ASN HD21 51 GLU HB 5.95 #peak 204 12 ASN HD22 51 GLU HG 5.76 #peak 208 13 VAL H 18 TYR HE 7.11 #peak 220 35 LEU HG 36 PHE H 4.04 #peak 226 51 GLU H 52 LEU HG 4.45 #peak 250 16 THR H 17 TYR HD 7.50 #peak 256 18 TYR HD 19 ARG H 6.14 #peak 296 48 ARG H 48 ARG HG3 4.35 #peak 303 53 GLU HG 54 ALA H 5.36 #peak 329 23 LEU H 35 LEU HB2 4.42 #peak 336 23 LEU H 35 LEU HB3 4.29 #peak 340 17 TYR H 17 TYR HD 6.98 #peak 348 19 ARG H 19 ARG HG3 4.48 #peak 358 10 VAL HB 19 ARG H 3.33 #peak 363 22 GLY H 36 PHE HE 6.95 #peak 378 19 ARG H 19 ARG HG2 4.48 #peak 382 60 GLU H 60 GLU HG 5.42 #peak 411 12 ASN H 18 TYR HD 6.20 #peak 434 27 VAL HG2 28 SER H 4.47 #peak 25 30 GLY H 49 LEU HD1 4.50 #peak 32 31 LYS H 49 LEU HD1 4.35 #peak 41 10 VAL H 10 VAL HG1 4.88 #peak 44 32 ALA H 32 ALA HB 3.48 #peak 47 34 VAL HG1 35 LEU H 3.70 #peak 72 36 PHE H 44 LEU HD1 4.66 #peak 90 5 GLY H 24 VAL HG1 4.26 #peak 104 11 THR H 11 THR HG2 3.95 #peak 110 6 ALA H 24 VAL HG1 4.50 #peak 121 7 THR HG2 8 VAL H 3.76 #peak 140 9 ARG H 55 VAL HG2 4.32 #peak 144 35 LEU HD1 43 LYS H 4.04 #peak 150 27 VAL H 27 VAL HG2 3.88 #peak 157 11 THR H 52 LEU HD2 4.75 #peak 160 8 VAL HG2 24 VAL H 4.04 #peak 201 49 LEU H 49 LEU HD1 4.50 #peak 205 46 THR HG2 47 PHE H 3.82 #peak 209 6 ALA HB 7 THR H 3.64 #peak 214 24 VAL HG1 33 ALA H 4.81 #peak 215 35 LEU H 44 LEU HD1 4.91 #peak 219 52 LEU H 52 LEU HD1 5.00 #peak 235 46 THR H 46 THR HG2 4.94 #peak 251 45 VAL HG1 46 THR H 3.42 #peak 274 10 VAL HG1 18 TYR H 4.66 #peak 276 10 VAL HG1 19 ARG H 4.60 #peak 288 33 ALA HB 34 VAL H 4.38 #peak 291 54 ALA H 54 ALA HB 3.42 #peak 294 52 LEU HD2 53 GLU H 4.88 #peak 309 22 GLY H 34 VAL HG1 4.97 #peak 312 7 THR HG2 22 GLY H 4.38 #peak 320 8 VAL HG1 54 ALA H 4.44 #peak 321 34 VAL H 34 VAL HG2 3.70 #peak 323 32 ALA HB 33 ALA H 3.91 #peak 324 23 LEU H 34 VAL HG1 4.16 #peak 332 27 VAL HG1 28 SER H 3.64 #peak 334 8 VAL HG1 55 VAL H 4.26 #peak 337 55 VAL H 55 VAL HG1 4.26 #peak 341 49 LEU H 49 LEU HD2 4.07 #peak 347 55 VAL HG1 56 LYS H 4.13 #peak 349 23 LEU H 23 LEU HD 6.57 #peak 351 58 ILE H 58 ILE HG2 4.35 #peak 361 24 VAL HG1 25 GLN H 4.10 #peak 374 8 VAL HG2 22 GLY H 4.01 #peak 379 25 GLN HE21 35 LEU HD2 4.38 #peak 380 16 THR H 16 THR HG2 4.41 #peak 384 13 VAL HG 14 ASP H 5.31 #peak 401 25 GLN HE22 35 LEU HD2 4.38 #peak 404 10 VAL HG1 11 THR H 4.10 #peak 407 3 PHE H 6 ALA HB 3.45 #peak 419 36 PHE HA 37 GLU H 2.65 #peak 24 36 PHE HA 36 PHE HB3 2.99 #peak 2 25 GLN HB3 26 ARG H 3.64 #peak 12 7 THR HA 8 VAL H 2.59 #peak 1 40 ASN HB2 41 TRP H 4.01 #peak 37 8 VAL HA 9 ARG H 2.68 #peak 418 18 TYR H 18 TYR HB2 2.80 #peak 130 31 LYS H 31 LYS HB2 2.93 #peak 436 50 SER H 50 SER HB2 3.55 #peak 70 50 SER HA 50 SER HB2 2.74 #peak 410 46 THR H 46 THR HB 2.83 #peak 423 28 SER HA 29 ASP H 2.74 #peak 385 48 ARG HB3 49 LEU H 3.70 #peak 147 48 ARG H 48 ARG HB3 3.61 #peak 335 58 ILE H 58 ILE HB 2.99 #peak 19 23 LEU HA 24 VAL H 2.56 #peak 57 23 LEU H 23 LEU HB2 3.39 #peak 122 12 ASN H 12 ASN HB 4.09 #peak 58 10 VAL HA 11 THR H 2.68 #peak 66 43 LYS HA 44 LEU H 2.52 #peak 46 53 GLU H 53 GLU HB3 4.01 #peak 155 8 VAL HA 8 VAL HB 2.90 #peak 42 17 TYR HA 18 TYR H 2.93 #peak 280 56 LYS H 56 LYS HB3 3.48 #peak 18 31 LYS HA 31 LYS HB3 2.99 #peak 209 52 LEU H 52 LEU HB3 3.61 #peak 237 52 LEU HB3 53 GLU H 3.48 #peak 93 52 LEU HA 53 GLU H 2.65 #peak 100 60 GLU H 60 GLU HB 4.15 #peak 86 45 VAL HA 46 THR H 2.52 #peak 56 50 SER H 50 SER HB3 3.08 #peak 269 50 SER HA 50 SER HB3 2.83 #peak 411 47 PHE HB3 48 ARG H 3.14 #peak 10 47 PHE H 47 PHE HB3 4.07 #peak 265 46 THR HA 47 PHE H 2.59 #peak 223 48 ARG H 48 ARG HB2 3.39 #peak 290 57 PRO HB2 58 ILE H 4.14 #peak 295 26 ARG HB 27 VAL H 4.46 #peak 20 53 GLU HA 54 ALA H 2.71 #peak 325 35 LEU HB3 36 PHE H 4.11 #peak 346 34 VAL HA 35 LEU H 2.62 #peak 398 13 VAL HB 14 ASP H 4.01 #peak 75 43 LYS H 43 LYS HB3 3.58 #peak 152 56 LYS H 56 LYS HB2 3.48 #peak 415 49 LEU H 49 LEU HB2 2.80 #peak 267 45 VAL H 45 VAL HB 3.17 #peak 112 13 VAL HA 13 VAL HB 2.96 #peak 371 20 PHE HB3 21 GLU H 3.30 #peak 65 20 PHE H 20 PHE HB3 3.52 #peak 381 25 GLN H 25 GLN HB2 3.76 #peak 453 42 ASP HB3 43 LYS H 3.86 #peak 462 47 PHE HB2 48 ARG H 3.30 #peak 63 47 PHE H 47 PHE HB2 3.39 #peak 231 20 PHE H 20 PHE HB2 3.11 #peak 397 42 ASP H 42 ASP HB2 3.98 #peak 494 42 ASP HB2 43 LYS H 3.86 #peak 495 57 PRO HB3 58 ILE H 3.79 #peak 179 9 ARG H 9 ARG HB2 3.86 #peak 527 14 ASP H 14 ASP HB3 3.27 #peak 95 9 ARG H 9 ARG HB3 3.86 #peak 546 23 LEU H 23 LEU HB3 3.39 #peak 571 44 LEU H 44 LEU HB2 3.21 #peak 575 24 VAL HA 25 GLN H 2.59 #peak 584 29 ASP H 29 ASP HA 2.83 #peak 29 21 GLU HA 22 GLY H 2.68 #peak 123 53 GLU H 53 GLU HB2 4.01 #peak 625 49 LEU H 49 LEU HB3 3.67 #peak 632 44 LEU H 44 LEU HB3 3.33 #peak 638 16 THR HB 17 TYR H 3.45 #peak 364 3 PHE H 3 PHE HB3 4.20 #peak 666 8 VAL HA 54 ALA HA 2.93 #peak 703 9 ARG HA 21 GLU HA 2.90 #peak 722 9 ARG HA 22 GLY H 4.01 #peak 723 24 VAL HA 26 ARG H 3.55 #peak 342 24 VAL HA 35 LEU H 4.01 #peak 840 26 ARG HB 27 VAL HA 5.42 #peak 868 27 VAL H 27 VAL HB 3.08 #peak 189 27 VAL HA 28 SER HB 5.08 #peak 883 31 LYS HA 48 ARG HA 3.14 #peak 889 24 VAL HA 34 VAL HA 2.87 #peak 838 38 ASN H 38 ASN HB2 3.89 #peak 937 38 ASN H 38 ASN HB3 3.89 #peak 938 40 ASN H 40 ASN HB2 4.04 #peak 940 33 ALA HA 46 THR HA 2.93 #peak 977 48 ARG HB3 50 SER H 3.11 #peak 257 50 SER HA 52 LEU H 3.79 #peak 1010 10 VAL HA 52 LEU HA 3.27 #peak 742 11 THR H 52 LEU HA 3.52 #peak 168 58 ILE HB 59 LEU H 3.33 #peak 338 36 PHE HA 36 PHE HD 5.61 #peak 47 56 LYS HA 57 PRO HD3 3.11 #peak 5 43 LYS HA 43 LYS HD 5.98 #peak 7 35 LEU HB2 35 LEU HG 2.87 #peak 523 3 PHE HA 4 PRO HD 4.03 #peak 142 3 PHE HB2 4 PRO HD 4.90 #peak 327 2 ILE HA 2 ILE HG12 4.23 #peak 161 53 GLU H 53 GLU HG 5.76 #peak 88 31 LYS HA 31 LYS HG2 3.83 #peak 210 49 LEU H 49 LEU HG 3.58 #peak 271 48 ARG H 48 ARG HG2 4.35 #peak 307 19 ARG HA 19 ARG HD 5.70 #peak 367 44 LEU H 44 LEU HG 4.88 #peak 400 31 LYS HA 31 LYS HG3 3.83 #peak 207 52 LEU H 52 LEU HG 3.08 #peak 277 37 GLU H 37 GLU HG 4.89 #peak 328 25 GLN H 25 GLN HG 6.38 #peak 486 58 ILE H 58 ILE HG13 4.11 #peak 31 56 LYS HA 57 PRO HD2 3.11 #peak 6 3 PHE HB3 4 PRO HD 5.18 #peak 560 18 TYR HA 18 TYR HD 6.14 #peak 579 2 ILE HA 2 ILE HG13 4.23 #peak 587 4 PRO HG2 27 VAL H 5.10 #peak 674 4 PRO HG3 27 VAL H 5.10 #peak 678 7 THR HB 55 VAL HB 4.26 #peak 692 7 THR HB 55 VAL H 5.04 #peak 695 8 VAL HB 52 LEU HB3 4.17 #peak 707 8 VAL HB 53 GLU H 4.63 #peak 708 10 VAL HB 18 TYR HA 3.95 #peak 797 10 VAL HB 20 PHE H 3.86 #peak 304 13 VAL HA 18 TYR HB3 5.22 #peak 767 13 VAL HA 18 TYR HD 7.16 #peak 769 13 VAL HA 18 TYR HE 7.48 #peak 14 12 ASN HB 15 ASP HB2 5.39 #peak 776 12 ASN HB 15 ASP HB3 6.04 #peak 777 16 THR HB 17 TYR HE 7.57 #peak 779 17 TYR HA 20 PHE HD 7.07 #peak 788 17 TYR HA 20 PHE HE 7.63 #peak 789 17 TYR HB 20 PHE HB2 5.48 #peak 810 17 TYR HB 47 PHE HE 8.51 #peak 795 13 VAL HA 18 TYR HB2 5.22 #peak 768 20 PHE HB2 36 PHE HZ 4.94 #peak 811 20 PHE HB3 36 PHE HD 7.04 #peak 69 22 GLY HA3 36 PHE HD 7.57 #peak 824 23 LEU HB2 35 LEU HB3 5.25 #peak 827 23 LEU HB3 35 LEU HB3 5.25 #peak 828 6 ALA H 24 VAL HB 2.77 #peak 409 5 GLY H 24 VAL HB 3.05 #peak 350 25 GLN HG 35 LEU H 5.39 #peak 222 26 ARG HB 33 ALA H 5.82 #peak 315 4 PRO HD 27 VAL HB 6.39 #peak 874 31 LYS HG2 48 ARG HA 5.04 #peak 893 31 LYS HG3 48 ARG HA 5.04 #peak 894 34 VAL HB 47 PHE HD 7.07 #peak 915 34 VAL HB 47 PHE HE 6.39 #peak 916 25 GLN HG 35 LEU HB2 5.51 #peak 922 36 PHE HB2 43 LYS H 5.07 #peak 932 35 LEU HG 37 GLU HG 5.82 #peak 924 38 ASN HB2 41 TRP HE3 5.25 #peak 936 38 ASN HB3 41 TRP HE3 5.25 #peak 939 37 GLU HG 42 ASP HB3 6.38 #peak 947 43 LYS HG 44 LEU H 6.38 #peak 954 36 PHE HE 45 VAL HB 6.14 #peak 72 36 PHE HD 45 VAL HB 7.41 #peak 19 45 VAL HB 47 PHE HE 6.55 #peak 973 47 PHE HB3 52 LEU HG 4.85 #peak 985 47 PHE HB2 52 LEU HG 4.79 #peak 989 50 SER HB3 51 GLU HG 6.38 #peak 1013 12 ASN HB 51 GLU HB 7.26 #peak 1015 47 PHE HB3 51 GLU HB 6.38 #peak 1016 47 PHE HD 51 GLU HB 8.51 #peak 1017 48 ARG HB2 51 GLU HG 5.54 #peak 1018 12 ASN HB 51 GLU HG 7.26 #peak 1019 12 ASN HD21 51 GLU HG 5.89 #peak 200 53 GLU HG 55 VAL HA 6.38 #peak 1046 8 VAL HA 53 GLU HG 6.38 #peak 1094 11 THR HA 18 TYR HD 7.63 #peak 1095 16 THR HB 17 TYR HD 7.63 #peak 1096 37 GLU HG 42 ASP HB2 6.38 #peak 1113 48 ARG HB3 51 GLU HG 6.04 #peak 1121 13 VAL H 13 VAL HG 4.53 #peak 69 59 LEU HA 59 LEU HD2 4.81 #peak 1080 58 ILE HA 58 ILE HD1 6.27 #peak 64 8 VAL H 8 VAL HG2 4.44 #peak 97 44 LEU HA 44 LEU HD1 4.63 #peak 167 52 LEU HA 52 LEU HD2 4.44 #peak 223 54 ALA HB 55 VAL H 3.88 #peak 293 52 LEU HA 52 LEU HD1 6.52 #peak 226 10 VAL H 10 VAL HG2 3.54 #peak 54 33 ALA H 33 ALA HB 3.48 #peak 196 6 ALA H 6 ALA HB 3.42 #peak 52 49 LEU HA 49 LEU HD2 4.19 #peak 392 49 LEU HA 49 LEU HD1 6.36 #peak 1007 35 LEU HA 35 LEU HD1 4.19 #peak 502 23 LEU HA 23 LEU HD 6.08 #peak 526 2 ILE HA 2 ILE HD1 5.00 #peak 556 45 VAL H 45 VAL HG2 5.71 #peak 564 55 VAL H 55 VAL HG2 3.45 #peak 325 2 ILE HG2 6 ALA HB 6.24 #peak 658 2 ILE HG2 6 ALA HA 6.52 #peak 659 2 ILE HG2 3 PHE H 3.73 #peak 346 2 ILE HD1 54 ALA HB 7.54 #peak 662 2 ILE HD1 54 ALA H 4.66 #peak 211 4 PRO HA 24 VAL HG1 4.16 #peak 667 6 ALA HB 54 ALA HB 6.70 #peak 1050 2 ILE HA 6 ALA HB 5.71 #peak 686 7 THR HB 55 VAL HG2 5.68 #peak 690 7 THR HB 55 VAL HG1 6.52 #peak 691 7 THR HG2 55 VAL HG2 6.05 #peak 696 7 THR HG2 21 GLU HB 7.37 #peak 697 8 VAL HA 55 VAL HG2 5.06 #peak 1063 6 ALA HB 8 VAL HG1 7.45 #peak 709 8 VAL HG1 54 ALA HB 7.54 #peak 710 7 THR HA 8 VAL HG1 6.24 #peak 712 8 VAL HG2 34 VAL HG1 6.48 #peak 713 7 THR HA 8 VAL HG2 5.68 #peak 715 8 VAL HG2 9 ARG HA 6.52 #peak 716 8 VAL HG2 53 GLU H 6.49 #peak 717 9 ARG HB2 55 VAL HG2 6.12 #peak 724 9 ARG HB2 11 THR HG2 6.52 #peak 726 9 ARG HB3 55 VAL HG2 6.12 #peak 729 9 ARG HB3 11 THR HG2 6.52 #peak 730 10 VAL HA 52 LEU HD2 4.63 #peak 741 10 VAL HG1 18 TYR HA 4.81 #peak 796 10 VAL HG1 12 ASN HA 6.33 #peak 749 10 VAL HG1 12 ASN H 3.42 #peak 180 10 VAL HG1 18 TYR HD 8.65 #peak 751 10 VAL HG1 47 PHE HE 8.65 #peak 752 10 VAL HG2 17 TYR HB 6.93 #peak 790 10 VAL HG2 20 PHE HB2 6.52 #peak 755 10 VAL HG2 47 PHE HZ 5.93 #peak 757 10 VAL HG2 47 PHE HE 8.65 #peak 758 11 THR HG2 53 GLU HB2 5.15 #peak 1039 11 THR HG2 53 GLU HB3 5.15 #peak 1041 11 THR HG2 53 GLU H 6.52 #peak 763 10 VAL HG1 12 ASN HB 7.25 #peak 747 13 VAL HG 18 TYR HE 8.43 #peak 63 13 VAL HG 18 TYR HD 9.73 #peak 772 10 VAL HG1 15 ASP HB3 5.43 #peak 774 10 VAL HG1 15 ASP HB2 5.87 #peak 775 43 LYS HE 45 VAL HG2 7.40 #peak 782 44 LEU HA 45 VAL HG2 6.52 #peak 784 10 VAL HG1 17 TYR HB 7.40 #peak 791 24 VAL HG2 32 ALA HB 6.76 #peak 829 24 VAL HG2 34 VAL HA 6.52 #peak 832 5 GLY H 24 VAL HG2 5.71 #peak 836 6 ALA HB 24 VAL HB 5.96 #peak 685 24 VAL HG1 32 ALA HB 6.55 #peak 847 24 VAL HG1 26 ARG H 3.54 #peak 416 25 GLN HG 44 LEU HD1 6.10 #peak 964 26 ARG HB 33 ALA HB 6.41 #peak 865 27 VAL HG1 28 SER HA 6.52 #peak 878 4 PRO HD 27 VAL HG1 7.41 #peak 879 3 PHE HA 27 VAL HG2 5.00 #peak 1101 30 GLY HA3 49 LEU HD1 5.84 #peak 886 30 GLY HA2 49 LEU HD1 5.03 #peak 887 31 LYS HA 46 THR HG2 6.52 #peak 888 31 LYS HB3 46 THR HG2 5.09 #peak 890 31 LYS HB2 46 THR HG2 5.96 #peak 891 31 LYS HD2 46 THR HG2 5.53 #peak 896 31 LYS HD3 46 THR HG2 5.53 #peak 897 27 VAL HG1 32 ALA HA 6.52 #peak 901 27 VAL HA 32 ALA HB 5.62 #peak 902 32 ALA HA 33 ALA HB 5.56 #peak 907 26 ARG H 33 ALA HB 3.91 #peak 420 34 VAL HG2 47 PHE HE 8.65 #peak 920 35 LEU HD1 44 LEU HA 5.46 #peak 926 35 LEU HD2 37 GLU HG 7.40 #peak 933 35 LEU HD1 42 ASP HB2 5.40 #peak 945 35 LEU HD1 42 ASP HB3 5.40 #peak 925 44 LEU HD1 45 VAL H 6.52 #peak 967 25 GLN HG 44 LEU HD2 7.40 #peak 969 33 ALA HB 34 VAL HA 6.52 #peak 970 33 ALA HB 46 THR HA 6.43 #peak 976 47 PHE HB3 52 LEU HD1 5.71 #peak 984 47 PHE HB2 52 LEU HD1 5.03 #peak 1029 32 ALA HB 49 LEU HA 6.52 #peak 1001 49 LEU HD1 50 SER H 6.52 #peak 1008 51 GLU HB 52 LEU HD2 7.40 #peak 1014 32 ALA HB 52 LEU HD1 6.33 #peak 1028 49 LEU HA 52 LEU HD1 5.19 #peak 1031 47 PHE HD 52 LEU HD1 8.65 #peak 1032 32 ALA H 52 LEU HD1 6.52 #peak 1033 8 VAL HB 52 LEU HD2 5.28 #peak 1034 47 PHE HB2 52 LEU HD2 5.43 #peak 1035 47 PHE HB3 52 LEU HD2 5.71 #peak 983 47 PHE HD 52 LEU HD2 8.65 #peak 1038 11 THR HG2 53 GLU HG 6.84 #peak 761 53 GLU HG 55 VAL HG1 7.40 #peak 1043 8 VAL HG1 54 ALA HA 4.54 #peak 711 8 VAL HA 54 ALA HB 6.12 #peak 702 7 THR HG2 55 VAL HB 5.46 #peak 1054 58 ILE HG2 59 LEU H 5.81 #peak 1078 2 ILE HG2 54 ALA HB 7.54 #peak 1091 43 LYS HD 45 VAL HG2 6.97 #peak 1093 24 VAL HA 34 VAL HG1 6.52 #peak 1099 26 ARG HD 33 ALA HB 7.40 #peak 1100 4 PRO HD 27 VAL HG2 6.60 #peak 1102 24 VAL HG2 34 VAL HG1 7.54 #peak 1108 43 LYS HG 45 VAL HG2 7.22 #peak 1114 33 ALA HB 44 LEU HD2 7.54 #peak 1117 34 VAL HG2 46 THR HA 6.52 #peak 1118 47 PHE HA 47 PHE HD 6.73 #peak 1 36 PHE H 36 PHE HD 6.42 #peak 405 17 TYR HE 41 TRP HZ2 6.98 #peak 12 18 TYR HE 19 ARG HD 8.21 #peak 15 11 THR HA 18 TYR HE 5.56 #peak 16 20 PHE H 20 PHE HD 6.26 #peak 357 22 GLY HA2 36 PHE HD 7.57 #peak 20 36 PHE HE 47 PHE HE 9.39 #peak 24 38 ASN H 41 TRP HE3 3.83 #peak 122 36 PHE HB2 41 TRP HH2 4.76 #peak 31 17 TYR HE 41 TRP HH2 6.21 #peak 95 36 PHE HB2 41 TRP HZ3 4.23 #peak 931 17 TYR HB 47 PHE HZ 5.02 #peak 39 17 TYR HD 47 PHE HZ 7.60 #peak 40 47 PHE H 47 PHE HD 6.30 #peak 247 20 PHE HB3 36 PHE HE 7.32 #peak 46 36 PHE HB3 41 TRP HH2 4.45 #peak 53 3 PHE HA 3 PHE HD 7.26 #peak 54 3 PHE HD 4 PRO HD 8.52 #peak 57 17 TYR HE 45 VAL HB 7.63 #peak 60 41 TRP HA 41 TRP HD1 4.54 #peak 64 20 PHE HA 20 PHE HD 7.54 #peak 67 41 TRP HB3 41 TRP HE3 4.20 #peak 71 34 VAL HB 36 PHE HZ 4.45 #peak 75 36 PHE HZ 47 PHE HE 6.45 #peak 76 37 GLU HA 41 TRP HE3 4.17 #peak 77 41 TRP HZ2 43 LYS HG 6.38 #peak 79 41 TRP HZ2 43 LYS HD 5.64 #peak 80 36 PHE HB3 41 TRP HZ3 4.20 #peak 930 45 VAL HB 47 PHE HZ 4.01 #peak 88 41 TRP HB2 41 TRP HD1 3.48 #peak 90 17 TYR HA 17 TYR HD 6.92 #peak 186 18 TYR H 20 PHE HD 7.63 #peak 100 17 TYR HD 45 VAL HG1 7.35 #peak 8 34 VAL HG1 36 PHE HE 7.66 #peak 21 36 PHE HE 45 VAL HG2 7.26 #peak 22 10 VAL HG2 36 PHE HZ 3.91 #peak 25 10 VAL HG1 47 PHE HZ 5.40 #peak 38 10 VAL HG2 36 PHE HE 7.23 #peak 44 17 TYR HE 45 VAL HG1 6.82 #peak 59 36 PHE HD 45 VAL HG2 6.54 #peak 68 34 VAL HG1 36 PHE HZ 4.97 #peak 74 34 VAL HG2 47 PHE HD 6.45 #peak 84 1 MET HB 3 PHE HD 7.31 #peak 647 1 MET HG 3 PHE HD 7.31 #peak 650 4 PRO HB 26 ARG HA 4.79 #peak 671 4 PRO HG 26 ARG HA 4.18 #peak 676 4 PRO HG 27 VAL H 4.44 #peak 678 7 THR HG2 21 GLU HG 6.29 #peak 698 9 ARG H 9 ARG HB 3.36 #peak 527 9 ARG H 9 ARG HG 5.34 #peak 79 9 ARG HA 21 GLU HG 4.27 #peak 721 9 ARG HB 10 VAL H 3.91 #peak 78 9 ARG HB 21 GLU HG 4.35 #peak 727 9 ARG HB 53 GLU HG 6.11 #peak 1045 9 ARG HB 55 VAL HG1 6.29 #peak 725 9 ARG HB 55 VAL HG2 5.31 #peak 724 9 ARG HG 19 ARG HA 4.82 #peak 733 9 ARG HG 21 GLU HG 4.55 #peak 816 10 VAL HG1 18 TYR HB 6.29 #peak 801 11 THR HG2 53 GLU HB 4.52 #peak 1039 13 VAL HA 18 TYR HB 4.53 #peak 768 14 ASP H 14 ASP HB 2.67 #peak 95 14 ASP HA 14 ASP HB 2.58 #peak 1065 15 ASP H 18 TYR HB 3.41 #peak 182 18 TYR HE 19 ARG HG 6.86 #peak 13 19 ARG H 19 ARG HG 3.93 #peak 382 19 ARG HA 19 ARG HG 3.62 #peak 477 21 GLU H 21 GLU HG 3.50 #peak 96 21 GLU HA 21 GLU HG 3.69 #peak 619 21 GLU HG 55 VAL HG2 6.29 #peak 820 22 GLY HA 34 VAL HG1 4.70 #peak 917 22 GLY HA 36 PHE HA 3.94 #peak 823 23 LEU HB 25 GLN HE2 3.22 #peak 366 23 LEU HB 35 LEU HB2 4.15 #peak 1112 23 LEU HB 35 LEU HG 4.06 #peak 1098 25 GLN H 25 GLN HB 3.06 #peak 410 25 GLN H 25 GLN HE2 4.41 #peak 186 25 GLN HA 25 GLN HE2 4.12 #peak 396 25 GLN HB 33 ALA HB 5.33 #peak 856 25 GLN HB 44 LEU HD1 6.29 #peak 1116 25 GLN HE2 35 LEU HB3 3.55 #peak 388 25 GLN HE2 35 LEU HD2 3.78 #peak 404 26 ARG H 26 ARG HG 5.11 #peak 466 26 ARG HG 27 VAL H 4.94 #peak 871 26 ARG HG 33 ALA H 4.41 #peak 318 29 ASP H 29 ASP HB 3.49 #peak 417 29 ASP HB 30 GLY H 3.94 #peak 343 31 LYS HG 48 ARG HA 4.17 #peak 893 31 LYS HG 48 ARG HG 4.99 #peak 1120 35 LEU HD1 42 ASP HB 4.74 #peak 925 36 PHE HB2 43 LYS HB 5.17 #peak 951 37 GLU H 37 GLU HB 3.01 #peak 103 37 GLU HA 42 ASP HB 4.76 #peak 948 37 GLU HB 38 ASN H 3.94 #peak 295 37 GLU HG 42 ASP HB 5.55 #peak 947 38 ASN HB 39 GLY H 3.91 #peak 284 38 ASN HB 41 TRP HE3 4.58 #peak 936 39 GLY HA 40 ASN H 3.13 #peak 363 40 ASN HB 40 ASN HD2 3.00 #peak 206 40 ASN HB 41 TRP H 3.52 #peak 258 41 TRP HZ2 43 LYS HB 4.15 #peak 52 42 ASP H 42 ASP HB 3.32 #peak 73 43 LYS H 43 LYS HB 3.13 #peak 152 48 ARG H 48 ARG HG 3.55 #peak 303 53 GLU H 53 GLU HB 3.50 #peak 625 53 GLU HB 54 ALA H 3.53 #peak 326 56 LYS H 56 LYS HB 2.85 #peak 18 56 LYS HA 57 PRO HD 2.70 #peak 5 56 LYS HB 57 PRO HD 3.84 #peak 1072 58 ILE H 58 ILE HG1 3.58 #peak 31 1 8.834 0.000 H 30 2 104.177 0.000 N 30 5 9.053 0.000 H 45 6 128.928 0.000 N 45 7 9.276 0.000 H 36 8 128.444 0.000 N 36 9 9.648 0.000 H 25 10 128.129 0.000 N 25 11 8.654 0.000 H 35 12 127.433 0.000 N 35 13 8.271 0.000 H 44 14 127.381 0.000 N 44 17 9.380 0.000 H 34 18 127.357 0.000 N 34 19 8.779 0.000 H 54 20 126.778 0.000 N 54 21 9.150 0.000 H 24 22 125.985 0.000 N 24 23 8.238 0.000 H 59 24 125.747 0.000 N 59 27 8.386 0.000 H 33 28 125.181 0.000 N 33 29 9.233 0.000 H 29 30 125.003 0.000 N 29 31 8.306 0.000 H 56 32 124.982 0.000 N 56 33 7.956 0.000 H 13 34 124.955 0.000 N 13 35 8.588 0.000 H 16 36 124.360 0.000 N 16 37 7.948 0.000 H 10 38 123.758 0.000 N 10 39 8.910 0.000 H 47 40 123.683 0.000 N 47 41 8.856 0.000 H 27 42 123.359 0.000 N 27 43 7.782 0.000 H 6 44 122.579 0.000 N 6 45 8.404 0.000 H 2 46 122.568 0.000 N 2 47 8.924 0.000 H 20 48 122.532 0.000 N 20 49 8.178 0.000 H 46 50 122.218 0.000 N 46 51 6.737 0.000 H 3 52 122.170 0.000 N 3 55 7.668 0.000 H 15 56 121.775 0.000 N 15 57 8.069 0.000 H 49 58 121.403 0.000 N 49 59 8.228 0.000 H 60 60 121.370 0.000 N 60 61 8.324 0.000 H 58 62 121.128 0.000 N 58 63 8.088 0.000 H 31 64 120.994 0.000 N 31 65 8.751 0.000 H 38 66 120.983 0.000 N 38 67 9.275 0.000 H 32 68 120.936 0.000 N 32 69 8.850 0.000 H 37 70 120.972 0.000 N 37 71 7.971 0.000 H 41 72 120.597 0.000 N 41 75 7.820 0.000 H 51 76 120.614 0.000 N 51 77 7.553 0.000 H 18 78 120.582 0.000 N 18 79 8.289 0.000 H 55 80 120.191 0.000 N 55 81 8.383 0.000 H 43 82 120.157 0.000 N 43 83 9.253 0.000 H 48 84 119.790 0.000 N 48 85 9.797 0.000 H 17 86 119.764 0.000 N 17 87 8.450 0.000 H 61 88 119.627 0.000 N 61 89 8.781 0.000 H 28 90 119.413 0.000 N 28 91 7.980 0.000 H 23 92 119.401 0.000 N 23 93 8.454 0.000 H 19 94 119.027 0.000 N 19 95 6.705 0.000 H 12 96 119.138 0.000 N 12 97 9.010 0.000 H 11 98 119.053 0.000 N 11 99 8.528 0.000 H 7 100 118.546 0.000 N 7 101 8.921 0.000 H 9 102 118.296 0.000 N 9 103 8.447 0.000 H 21 104 118.146 0.000 N 21 105 8.530 0.000 H 53 106 117.786 0.000 N 53 107 9.030 0.000 H 8 108 117.547 0.000 N 8 109 7.544 0.000 H 14 110 117.348 0.000 N 14 111 7.301 0.000 H 52 112 116.595 0.000 N 52 113 7.284 0.000 H 26 114 115.150 0.000 N 26 115 9.018 0.000 H 5 116 113.008 0.000 N 5 121 8.852 0.000 H 39 122 112.983 0.000 N 39 139 8.837 0.000 H 22 140 108.959 0.000 N 22 141 7.858 0.000 H 50 142 108.609 0.000 N 50 651 45.868 0.000 CA 30 654 61.257 0.000 CA 45 655 35.267 0.000 CB 45 658 56.443 0.000 CA 36 659 40.699 0.000 CB 36 662 56.015 0.000 CA 25 663 30.662 0.000 CB 25 666 53.118 0.000 CA 35 667 45.035 0.000 CB 35 670 53.413 0.000 CA 44 671 43.359 0.000 CB 44 675 61.254 0.000 CA 34 676 34.022 0.000 CB 34 679 52.493 0.000 CA 54 680 18.381 0.000 CB 54 683 63.893 0.000 CA 24 684 31.331 0.000 CB 24 687 54.721 0.000 CA 59 688 42.237 0.000 CB 59 695 50.789 0.000 CA 33 696 19.591 0.000 CB 33 699 55.165 0.000 CA 29 700 39.851 0.000 CB 29 703 53.826 0.000 CA 56 704 32.350 0.000 CB 56 707 62.567 0.000 CA 13 708 31.521 0.000 CB 13 711 65.658 0.000 CA 16 712 69.263 0.000 CB 16 715 62.103 0.000 CA 10 716 31.234 0.000 CB 10 719 56.674 0.000 CA 47 720 44.197 0.000 CB 47 723 61.408 0.000 CA 27 724 34.529 0.000 CB 27 726 52.071 0.000 CA 6 727 18.634 0.000 CB 6 733 58.661 0.000 CA 20 734 39.390 0.000 CB 20 737 61.843 0.000 CA 46 738 69.232 0.000 CB 46 741 53.821 0.000 CA 3 742 39.219 0.000 CB 3 749 54.173 0.000 CA 15 750 45.096 0.000 CB 15 753 58.572 0.000 CA 49 754 40.688 0.000 CB 49 757 56.036 0.000 CA 60 758 30.191 0.000 CB 60 761 61.100 0.000 CA 58 762 38.519 0.000 CB 58 764 54.669 0.000 CA 31 765 36.337 0.000 CB 31 768 53.041 0.000 CA 38 769 39.350 0.000 CB 38 772 49.517 0.000 CA 32 773 22.338 0.000 CB 32 776 55.678 0.000 CA 37 777 31.968 0.000 CB 37 780 56.935 0.000 CA 41 781 29.988 0.000 CB 41 784 56.235 0.000 CA 51 785 30.627 0.000 CB 51 788 59.454 0.000 CA 18 789 37.665 0.000 CB 18 792 60.843 0.000 CA 55 793 33.682 0.000 CB 55 796 55.565 0.000 CA 43 797 36.014 0.000 CB 43 800 56.972 0.000 CA 48 801 30.633 0.000 CB 48 805 55.246 0.000 CA 61 806 29.434 0.000 CB 61 809 57.780 0.000 CA 28 810 63.991 0.000 CB 28 812 52.941 0.000 CA 23 813 45.451 0.000 CB 23 817 52.557 0.000 CA 12 818 38.124 0.000 CB 12 821 61.475 0.000 CA 11 822 68.695 0.000 CB 11 825 62.562 0.000 CA 7 826 68.841 0.000 CB 7 829 52.542 0.000 CA 9 830 34.578 0.000 CB 9 833 53.843 0.000 CA 21 834 32.382 0.000 CB 21 837 54.189 0.000 CA 53 838 33.338 0.000 CB 53 841 57.474 0.000 CA 8 842 36.130 0.000 CB 8 845 54.126 0.000 CA 14 846 41.234 0.000 CB 14 849 52.587 0.000 CA 52 850 47.265 0.000 CB 52 853 55.190 0.000 CA 26 854 33.647 0.000 CB 26 857 44.363 0.000 CA 5 860 46.389 0.000 CA 39 863 45.091 0.000 CA 22 866 59.496 0.000 CA 50 867 62.312 0.000 CB 50 872 59.502 0.000 CA 19 873 27.991 0.000 CB 19 1325 4.327 0.000 HA 29 1326 5.090 0.000 HA 44 1327 4.786 0.000 HA 35 1328 3.823 0.000 HA 24 1329 4.137 0.000 HA 34 1330 4.347 0.000 HA 43 1331 4.803 0.000 HA 33 1332 4.623 0.000 HA 53 1333 5.035 0.000 HA 23 1334 4.095 0.000 HA 58 1335 5.308 0.000 HA 32 1336 4.556 0.000 HA 28 1337 4.212 0.000 HA 55 1338 4.772 0.000 HA 12 1339 4.683 0.000 HA 15 1340 5.469 0.000 HA 9 1341 5.211 0.000 HA 46 1342 4.517 0.000 HA 26 1343 3.273 0.000 HA 19 1344 4.123 0.000 HA 45 1345 4.612 0.000 HA 14 1346 4.671 0.000 HA 48 1347 4.330 0.000 HA 59 1348 4.441 0.000 HA 57 1349 4.830 0.000 HA 37 1350 5.148 0.000 HA 31 1351 5.149 0.000 HA 36 1352 4.269 0.000 HA 50 1353 3.917 0.000 HA 17 1354 4.629 0.000 HA 54 1355 4.949 0.000 HA 42 1356 4.856 0.000 HA 47 1357 3.797 0.000 HA 16 1358 4.178 0.000 HA 60 1359 4.813 0.000 HA 27 1360 3.974 0.000 HA 18 1361 4.525 0.000 HA 11 1362 4.314 0.000 HA 10 1363 4.234 0.000 HA 6 1364 5.356 0.000 HA 8 1365 4.378 0.000 HA 20 1366 5.287 0.000 HA 52 1367 5.065 0.000 HA 7 1368 2.231 0.000 HA 13 1369 4.396 0.000 HA 51 1370 4.417 0.000 HA 25 1371 3.867 0.000 HA 4 1372 4.811 0.000 HA 38 1373 5.803 0.000 HA 21 1374 3.799 0.000 HA 49 1375 4.515 0.000 HA2 5 1376 4.161 0.000 HA2 30 1377 4.602 0.000 HA2 22 1378 3.564 0.000 HA3 5 1379 3.673 0.000 HA3 30 1380 3.404 0.000 HA3 22 1381 2.196 0.000 HB 24 1382 1.825 0.000 HB 34 1383 1.209 0.000 HB 33 1384 1.800 0.000 HB 58 1385 1.081 0.000 HB 32 1386 1.891 0.000 HB 55 1387 3.789 0.000 HB 46 1388 1.695 0.000 HB 45 1389 1.329 0.000 HB 54 1390 3.618 0.000 HB 16 1391 1.926 0.000 HB 27 1392 4.508 0.000 HB 11 1393 2.465 0.000 HB 10 1394 1.031 0.000 HB 6 1395 1.865 0.000 HB 8 1396 3.995 0.000 HB 7 1397 1.637 0.000 HB 13 1398 2.903 0.000 HB2 29 1399 1.659 0.000 HB2 44 1400 1.836 0.000 HB2 35 1401 2.916 0.000 HB 12 1403 1.846 0.000 HB2 19 1404 2.790 0.000 HB2 14 1405 2.134 0.000 HB2 48 1406 1.564 0.000 HB2 59 1407 1.862 0.000 HB2 57 1408 2.081 0.000 HB2 37 1409 1.569 0.000 HB3 31 1410 3.477 0.000 HB2 36 1411 4.099 0.000 HB2 50 1412 2.624 0.000 HB2 42 1413 3.450 0.000 HB2 47 1414 3.829 0.000 HB2 18 1415 3.388 0.000 HB2 20 1416 1.757 0.000 HB2 52 1417 2.495 0.000 HB 51 1418 2.183 0.000 HB2 25 1419 2.128 0.000 HB2 4 1420 2.765 0.000 HB2 38 1421 1.722 0.000 HB2 49 1422 2.538 0.000 HB3 29 1423 1.264 0.000 HB3 44 1424 1.078 0.000 HB3 35 1425 1.527 0.000 HB3 43 1426 1.815 0.000 HB3 53 1427 1.396 0.000 HB3 23 1428 3.754 0.000 HB 28 1429 2.579 0.000 HB3 15 1430 1.513 0.000 HB3 9 1431 1.756 0.000 HB 26 1432 1.696 0.000 HB3 19 1433 2.459 0.000 HB3 14 1434 1.830 0.000 HB3 48 1435 1.474 0.000 HB3 59 1436 2.271 0.000 HB3 57 1437 1.999 0.000 HB3 37 1438 1.757 0.000 HB2 31 1439 2.884 0.000 HB3 36 1440 3.867 0.000 HB3 50 1441 2.814 0.000 HB 17 1442 2.398 0.000 HB3 47 1443 1.847 0.000 HB 60 1444 2.685 0.000 HB3 18 1445 2.660 0.000 HB3 20 1446 0.887 0.000 HB3 52 1447 1.705 0.000 HB3 25 1448 2.693 0.000 HB3 38 1449 1.859 0.000 HB 21 1450 1.472 0.000 HB3 49 1451 63.893 0.000 CA 4 1452 31.028 0.000 CB 4 1453 1.971 0.000 HB3 4 1454 28.899 0.000 CG 4 1455 2.369 0.000 HG2 4 1456 1.692 0.000 HG3 4 1457 50.760 0.000 CD 4 1458 3.786 0.000 HD 4 1459 21.022 0.000 CG2 7 1460 1.126 0.000 HG2 7 1461 22.242 0.000 CG1 8 1462 19.260 0.000 CG2 8 1463 0.571 0.000 HG1 8 1464 0.538 0.000 HG2 8 1465 1.580 0.000 HB2 9 1466 26.955 0.000 CG 9 1467 1.350 0.000 HG2 9 1468 1.306 0.000 HG3 9 1469 43.305 0.000 CD 9 1470 3.036 0.000 HD2 9 1471 3.089 0.000 HD3 9 1472 20.555 0.000 CG1 10 1473 0.932 0.000 HG1 10 1474 20.839 0.000 CG2 10 1475 0.424 0.000 HG2 10 1476 22.263 0.000 CG2 11 1477 1.049 0.000 HG2 11 1478 20.159 0.000 CG1 13 1480 0.696 0.000 HG 13 1481 2.732 0.000 HB2 15 1482 21.003 0.000 CG2 16 1483 0.634 0.000 HG2 16 1484 57.816 0.000 CA 17 1485 36.777 0.000 CB 17 1486 26.799 0.000 CG 19 1487 0.225 0.000 HG2 19 1488 0.754 0.000 HG3 19 1489 43.320 0.000 CD 19 1490 2.809 0.000 HD 19 1491 36.351 0.000 CG 21 1492 2.285 0.000 HG2 21 1493 2.004 0.000 HG3 21 1494 1.499 0.000 HB2 23 1495 27.138 0.000 CG 23 1496 1.420 0.000 HG 23 1498 24.515 0.000 CD1 23 1500 0.789 0.000 HD 23 1501 24.480 0.000 CG2 24 1502 22.781 0.000 CG1 24 1503 0.789 0.000 HG2 24 1504 0.536 0.000 HG1 24 1505 34.420 0.000 CG 25 1506 2.221 0.000 HG 25 1507 27.098 0.000 CG 26 1508 1.537 0.000 HG2 26 1509 1.445 0.000 HG3 26 1510 42.927 0.000 CD 26 1511 3.130 0.000 HD 26 1512 21.306 0.000 CG2 27 1513 20.998 0.000 CG1 27 1514 0.693 0.000 HG2 27 1515 0.882 0.000 HG1 27 1516 24.935 0.000 CG 31 1517 1.233 0.000 HG2 31 1518 1.383 0.000 HG3 31 1519 28.920 0.000 CD 31 1520 1.483 0.000 HD2 31 1521 1.580 0.000 HD3 31 1522 41.982 0.000 CE 31 1523 2.898 0.000 HE 31 1524 22.784 0.000 CG2 34 1525 21.395 0.000 CG1 34 1526 0.737 0.000 HG2 34 1527 -0.102 0.000 HG1 34 1528 27.153 0.000 CG 35 1529 1.239 0.000 HG 35 1530 25.803 0.000 CD2 35 1531 23.178 0.000 CD1 35 1532 0.746 0.000 HD1 35 1533 0.768 0.000 HD2 35 1534 35.889 0.000 CG 37 1535 2.249 0.000 HG 37 1536 53.394 0.000 CA 42 1537 42.446 0.000 CB 42 1538 2.547 0.000 HB3 42 1539 1.634 0.000 HB2 43 1540 24.750 0.000 CG 43 1541 1.363 0.000 HG 43 1542 28.883 0.000 CD 43 1543 1.697 0.000 HD 43 1544 41.994 0.000 CE 43 1545 2.999 0.000 HE 43 1546 26.697 0.000 CG 44 1547 1.282 0.000 HG 44 1548 25.388 0.000 CD2 44 1549 24.083 0.000 CD1 44 1550 0.727 0.000 HD2 44 1551 0.633 0.000 HD1 44 1552 22.302 0.000 CG1 45 1553 20.996 0.000 CG2 45 1554 0.392 0.000 HG1 45 1555 0.631 0.000 HG2 45 1556 22.266 0.000 CG2 46 1557 1.012 0.000 HG2 46 1558 28.169 0.000 CG 48 1559 1.900 0.000 HG2 48 1560 1.708 0.000 HG3 48 1561 43.327 0.000 CD 48 1562 3.282 0.000 HD2 48 1563 3.229 0.000 HD3 48 1564 27.175 0.000 CG 49 1565 1.387 0.000 HG 49 1566 25.355 0.000 CD1 49 1567 23.181 0.000 CD2 49 1568 0.865 0.000 HD1 49 1569 0.737 0.000 HD2 49 1570 37.927 0.000 CG 51 1571 2.369 0.000 HG 51 1572 25.805 0.000 CG 52 1573 1.613 0.000 HG 52 1574 26.725 0.000 CD1 52 1575 22.540 0.000 CD2 52 1576 0.672 0.000 HD1 52 1577 0.299 0.000 HD2 52 1578 1.913 0.000 HB2 53 1579 35.465 0.000 CG 53 1580 2.130 0.000 HG 53 1581 21.004 0.000 CG1 55 1582 20.113 0.000 CG2 55 1583 0.792 0.000 HG1 55 1584 0.671 0.000 HG2 55 1585 62.753 0.000 CA 57 1586 31.969 0.000 CB 57 1587 27.150 0.000 CG 57 1588 2.025 0.000 HG 57 1589 50.670 0.000 CD 57 1590 3.853 0.000 HD2 57 1591 3.696 0.000 HD3 57 1592 27.177 0.000 CG1 58 1593 17.472 0.000 CG2 58 1594 0.849 0.000 HG2 58 1595 1.478 0.000 HG12 58 1596 1.170 0.000 HG13 58 1597 12.712 0.000 CD1 58 1598 0.835 0.000 HD1 58 1599 26.749 0.000 CG 59 1600 1.537 0.000 HG 59 1601 24.758 0.000 CD1 59 1602 23.218 0.000 CD2 59 1603 0.884 0.000 HD1 59 1604 0.819 0.000 HD2 59 1605 35.675 0.000 CG 60 1606 2.146 0.000 HG 60 1607 4.620 0.000 HA 56 1608 1.819 0.000 HB2 56 1609 1.718 0.000 HB3 56 1610 24.518 0.000 CG 56 1611 1.468 0.000 HG 56 1612 29.135 0.000 CD 56 1613 1.698 0.000 HD 56 1614 42.002 0.000 CE 56 1615 2.939 0.000 HE 56 1616 3.713 0.000 HA2 39 1617 4.007 0.000 HA3 39 1619 5.014 0.000 HA 3 1621 3.082 0.000 HB2 3 1622 2.901 0.000 HB3 3 1623 3.812 0.000 HA 2 1624 61.060 0.000 CA 2 1625 37.901 0.000 CB 2 1626 1.671 0.000 HB 2 1627 18.385 0.000 CG2 2 1628 27.572 0.000 CG1 2 1629 1.461 0.000 HG12 2 1630 0.982 0.000 HG13 2 1631 0.589 0.000 HG2 2 1632 12.705 0.000 CD1 2 1633 0.644 0.000 HD1 2 1638 4.086 0.000 HA 1 1639 54.725 0.000 CA 1 1640 33.215 0.000 CB 1 1641 2.087 0.000 HB2 1 1642 2.026 0.000 HB3 1 1643 31.024 0.000 CG 1 1644 2.537 0.000 HG2 1 1645 2.440 0.000 HG3 1 1646 4.734 0.000 HA 41 1647 53.344 0.000 CA 40 1648 4.702 0.000 HA 40 1649 38.482 0.000 CB 40 1650 2.617 0.000 HB2 40 1651 2.760 0.000 HB3 40 1652 3.477 0.000 HB2 41 1653 3.245 0.000 HB3 41 1654 7.932 0.000 H 42 1655 121.388 0.000 N 42 1656 8.621 0.000 H 40 1657 121.824 0.000 N 40 1658 8.732 0.000 HD21 12 1659 112.575 0.000 ND2 12 1660 7.106 0.000 HD22 12 1661 7.390 0.000 HD21 38 1662 111.776 0.000 ND2 38 1663 6.642 0.000 HD22 38 1664 7.448 0.000 HD21 40 1665 112.187 0.000 ND2 40 1666 6.890 0.000 HD22 40 1667 6.586 0.000 HE21 25 1668 112.986 0.000 NE2 25 1669 7.092 0.000 HE22 25 1670 6.910 0.000 HD 18 1671 133.015 0.000 CD1 18 1672 118.142 0.000 CE1 18 1673 6.730 0.000 HE 18 1674 6.386 0.000 HD 17 1675 132.812 0.000 CD1 17 1676 117.290 0.000 CE1 17 1677 6.494 0.000 HE 17 1678 7.312 0.000 HD1 41 1679 127.764 0.000 CD1 41 1680 10.159 0.000 HE1 41 1681 129.361 0.000 NE1 41 1682 7.463 0.000 HZ2 41 1683 114.640 0.000 CZ2 41 1684 123.844 0.000 CH2 41 1685 7.059 0.000 HH2 41 1686 121.204 0.000 CZ3 41 1687 7.027 0.000 HZ3 41 1688 7.152 0.000 HD 3 1689 132.575 0.000 CD1 3 1690 130.968 0.000 CE1 3 1691 7.282 0.000 HE 3 1692 129.764 0.000 CZ 3 1693 7.308 0.000 HZ 3 1694 7.151 0.000 HD 36 1695 131.659 0.000 CD1 36 1696 130.366 0.000 CE1 36 1697 6.772 0.000 HE 36 1698 128.479 0.000 CZ 36 1699 6.829 0.000 HZ 36 1700 7.180 0.000 HD 47 1701 131.899 0.000 CD1 47 1702 6.950 0.000 HD 20 1703 130.850 0.000 CD1 20 1704 131.108 0.000 CE1 20 1705 7.249 0.000 HE 20 1706 120.810 0.000 CE3 41 1707 7.504 0.000 HE3 41 1708 131.232 0.000 CE1 47 1709 7.393 0.000 HE 47 1710 129.538 0.000 CZ 47 1711 7.092 0.000 HZ 47 1712 7.155 0.000 HZ 20 1713 129.496 0.000 CZ 20 1714 7.355 0.000 HE 9 1715 83.825 0.000 NE 9 1716 6.825 0.000 HE 19 1717 84.625 0.000 NE 19 1718 7.203 0.000 HE 26 1720 84.113 0.000 NE 26 1721 2.064 0.000 HE 1 1722 16.615 0.000 CE 1 1724 175.710 0.000 C 29 1725 176.212 0.000 C 44 1726 175.829 0.000 C 35 1727 176.514 0.000 C 24 1728 172.136 0.000 C 34 1729 173.269 0.000 C 43 1730 175.743 0.000 C 33 1731 174.842 0.000 C 53 1732 177.968 0.000 C 23 1733 176.220 0.000 C 58 1734 175.101 0.000 C 32 1735 175.240 0.000 C 55 1736 174.361 0.000 C 28 1737 175.158 0.000 C 12 1738 177.380 0.000 C 15 1739 175.404 0.000 C 9 1740 173.400 0.000 C 46 1741 173.639 0.000 C 26 1742 173.977 0.000 C 5 1743 171.914 0.000 C 1 1744 175.952 0.000 C 19 1745 174.141 0.000 C 45 1746 172.798 0.000 C 2 1747 175.651 0.000 C 14 1748 178.847 0.000 C 48 1749 176.843 0.000 C 59 1750 176.796 0.000 C 57 1751 174.351 0.000 C 30 1752 175.863 0.000 C 37 1753 173.975 0.000 C 31 1754 174.959 0.000 C 36 1755 174.336 0.000 C 40 1756 175.334 0.000 C 50 1757 174.354 0.000 C 17 1758 177.383 0.000 C 54 1759 174.689 0.000 C 42 1760 176.461 0.000 C 47 1761 174.808 0.000 C 16 1762 175.958 0.000 C 60 1763 175.033 0.000 C 27 1764 170.740 0.000 C 22 1765 176.537 0.000 C 18 1766 174.162 0.000 C 11 1767 178.552 0.000 C 10 1768 176.657 0.000 C 6 1769 173.129 0.000 C 8 1770 175.232 0.000 C 20 1771 176.101 0.000 C 52 1772 174.650 0.000 C 7 1773 175.624 0.000 C 13 1774 173.857 0.000 C 51 1775 175.395 0.000 C 25 1776 176.282 0.000 C 4 1777 175.233 0.000 C 38 1778 176.669 0.000 C 21 1779 178.461 0.000 C 49 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 9.622 -4.835 4.771 2 H1 MET 1 H1 MET 1 7.832 -6.665 6.259 3 H2 MET 1 H2 MET 1 7.911 -4.986 6.469 4 H3 MET 1 H3 MET 1 9.256 -5.947 6.840 5 HB2 MET 1 HB2 MET 1 10.048 -6.773 3.329 6 HB3 MET 1 HB3 MET 1 10.522 -7.104 4.990 7 HG2 MET 1 HG2 MET 1 8.424 -8.343 5.318 8 HG3 MET 1 HG3 MET 1 8.001 -8.050 3.633 9 HE1 MET 1 HE1 MET 1 11.543 -8.804 5.106 10 HE2 MET 1 HE2 MET 1 11.656 -10.554 4.932 11 HE3 MET 1 HE3 MET 1 10.517 -9.853 6.083 12 H ILE 2 H ILE 2 8.898 -4.060 2.853 13 HA ILE 2 HA ILE 2 6.208 -4.858 1.960 14 HB ILE 2 HB ILE 2 7.205 -2.003 2.040 15 HG12 ILE 2 HG12 ILE 2 5.066 -3.341 3.714 16 HG13 ILE 2 HG13 ILE 2 6.657 -2.866 4.296 17 HG21 ILE 2 HG21 ILE 2 4.526 -3.142 1.253 18 HG22 ILE 2 HG22 ILE 2 5.723 -2.448 0.159 19 HG23 ILE 2 HG23 ILE 2 4.922 -1.426 1.353 20 HD11 ILE 2 HD11 ILE 2 4.509 -1.013 3.289 21 HD12 ILE 2 HD12 ILE 2 6.107 -0.524 3.854 22 HD13 ILE 2 HD13 ILE 2 4.966 -1.270 4.973 23 H PHE 3 H PHE 3 5.932 -4.855 -0.275 24 HA PHE 3 HA PHE 3 8.295 -4.244 -1.907 25 HD1 PHE 3 HD1 PHE 3 10.333 -6.014 -1.960 26 HD2 PHE 3 HD2 PHE 3 7.054 -7.992 -0.108 27 HE1 PHE 3 HE1 PHE 3 11.877 -7.074 -0.366 28 HE2 PHE 3 HE2 PHE 3 8.590 -9.054 1.493 29 HZ PHE 3 HZ PHE 3 11.010 -8.595 1.363 30 HB2 PHE 3 HB2 PHE 3 6.714 -6.827 -2.078 31 HB3 PHE 3 HB3 PHE 3 8.072 -6.374 -3.099 32 HA PRO 4 HA PRO 4 5.372 -2.691 -4.936 33 HB2 PRO 4 HB2 PRO 4 6.791 -4.309 -6.978 34 HB3 PRO 4 HB3 PRO 4 6.484 -2.570 -6.937 35 HG2 PRO 4 HG2 PRO 4 8.924 -3.534 -6.466 36 HG3 PRO 4 HG3 PRO 4 8.295 -2.149 -5.554 37 HD2 PRO 4 HD2 PRO 4 8.534 -5.014 -4.722 38 HD3 PRO 4 HD3 PRO 4 8.846 -3.538 -3.785 39 H GLY 5 H GLY 5 3.374 -3.453 -5.016 40 HA2 GLY 5 HA2 GLY 5 1.813 -5.025 -6.035 41 HA3 GLY 5 HA3 GLY 5 2.980 -6.298 -5.702 42 H ALA 6 H ALA 6 3.077 -4.315 -3.101 43 HA ALA 6 HA ALA 6 1.197 -5.991 -1.608 44 HB1 ALA 6 HB1 ALA 6 3.379 -4.170 -0.598 45 HB2 ALA 6 HB2 ALA 6 3.500 -5.919 -0.789 46 HB3 ALA 6 HB3 ALA 6 2.380 -5.237 0.390 47 H THR 7 H THR 7 -0.466 -5.166 -0.434 48 HA THR 7 HA THR 7 -1.445 -2.560 -1.178 49 HB THR 7 HB THR 7 -2.712 -4.382 0.854 50 HG1 THR 7 HG1 THR 7 -3.452 -4.718 -1.813 51 HG21 THR 7 HG21 THR 7 -4.785 -3.487 -0.129 52 HG22 THR 7 HG22 THR 7 -3.825 -2.516 -1.246 53 HG23 THR 7 HG23 THR 7 -3.746 -2.204 0.487 54 H VAL 8 H VAL 8 -1.359 -0.737 0.040 55 HA VAL 8 HA VAL 8 -0.497 -0.988 2.838 56 HB VAL 8 HB VAL 8 0.944 1.031 2.512 57 HG11 VAL 8 HG11 VAL 8 1.912 -1.203 2.663 58 HG12 VAL 8 HG12 VAL 8 2.823 -0.196 1.536 59 HG13 VAL 8 HG13 VAL 8 1.707 -1.415 0.923 60 HG21 VAL 8 HG21 VAL 8 0.500 0.427 -0.410 61 HG22 VAL 8 HG22 VAL 8 1.700 1.553 0.226 62 HG23 VAL 8 HG23 VAL 8 -0.020 1.878 0.451 63 H ARG 9 H ARG 9 -1.051 0.723 4.196 64 HA ARG 9 HA ARG 9 -3.147 2.514 3.156 65 HE ARG 9 HE ARG 9 -6.896 2.591 5.687 66 HB2 ARG 9 HB2 ARG 9 -4.213 1.028 4.652 67 HB3 ARG 9 HB3 ARG 9 -2.877 1.088 5.793 68 HG2 ARG 9 HG2 ARG 9 -3.468 3.327 6.441 69 HG3 ARG 9 HG3 ARG 9 -4.712 3.398 5.191 70 HD2 ARG 9 HD2 ARG 9 -4.795 1.248 7.266 71 HD3 ARG 9 HD3 ARG 9 -5.371 2.866 7.655 72 HH11 ARG 9 HH11 ARG 9 -5.683 -0.232 7.398 73 HH12 ARG 9 HH12 ARG 9 -7.069 -1.199 7.004 74 HH21 ARG 9 HH21 ARG 9 -8.737 1.313 5.230 75 HH22 ARG 9 HH22 ARG 9 -8.790 -0.337 5.789 76 H VAL 10 H VAL 10 -2.967 4.666 3.571 77 HA VAL 10 HA VAL 10 -0.400 5.613 4.484 78 HB VAL 10 HB VAL 10 -2.830 7.211 3.661 79 HG11 VAL 10 HG11 VAL 10 -1.218 8.500 4.974 80 HG12 VAL 10 HG12 VAL 10 -1.254 9.034 3.293 81 HG13 VAL 10 HG13 VAL 10 0.069 8.020 3.867 82 HG21 VAL 10 HG21 VAL 10 -1.734 7.421 1.484 83 HG22 VAL 10 HG22 VAL 10 -2.103 5.739 1.863 84 HG23 VAL 10 HG23 VAL 10 -0.451 6.337 2.025 85 H THR 11 H THR 11 0.038 5.915 6.560 86 HA THR 11 HA THR 11 -2.186 6.406 8.409 87 HB THR 11 HB THR 11 -0.144 5.800 10.048 88 HG1 THR 11 HG1 THR 11 1.343 4.572 9.083 89 HG21 THR 11 HG21 THR 11 -1.026 3.515 10.077 90 HG22 THR 11 HG22 THR 11 -1.834 3.805 8.537 91 HG23 THR 11 HG23 THR 11 -2.329 4.698 9.973 92 H ASN 12 H ASN 12 -0.467 8.384 6.757 93 HA ASN 12 HA ASN 12 0.548 10.051 8.919 94 HB2 ASN 12 HB2 ASN 12 1.788 9.874 6.752 95 HB3 ASN 12 HB3 ASN 12 0.432 10.658 5.953 96 HD21 ASN 12 HD21 ASN 12 3.347 11.353 6.520 97 HD22 ASN 12 HD22 ASN 12 3.262 12.976 7.122 98 H VAL 13 H VAL 13 -0.761 11.327 9.992 99 HA VAL 13 HA VAL 13 -3.515 11.452 9.346 100 HB VAL 13 HB VAL 13 -2.047 13.091 11.406 101 HG11 VAL 13 HG11 VAL 13 -4.309 13.882 10.991 102 HG12 VAL 13 HG12 VAL 13 -4.198 13.123 12.579 103 HG13 VAL 13 HG13 VAL 13 -4.938 12.252 11.235 104 HG21 VAL 13 HG21 VAL 13 -2.584 11.301 12.981 105 HG22 VAL 13 HG22 VAL 13 -1.545 10.725 11.680 106 HG23 VAL 13 HG23 VAL 13 -3.267 10.349 11.664 107 H ASP 14 H ASP 14 -0.862 13.604 8.704 108 HA ASP 14 HA ASP 14 -2.663 15.843 8.166 109 HB2 ASP 14 HB2 ASP 14 -0.531 16.168 9.455 110 HB3 ASP 14 HB3 ASP 14 0.360 15.786 7.987 111 H ASP 15 H ASP 15 -2.436 13.348 6.467 112 HA ASP 15 HA ASP 15 -1.786 14.739 3.953 113 HB2 ASP 15 HB2 ASP 15 -0.405 12.693 4.467 114 HB3 ASP 15 HB3 ASP 15 -1.885 11.745 4.338 115 H THR 16 H THR 16 -3.129 14.136 2.085 116 HA THR 16 HA THR 16 -5.897 14.336 2.705 117 HB THR 16 HB THR 16 -4.664 13.701 0.020 118 HG1 THR 16 HG1 THR 16 -4.680 16.025 1.560 119 HG21 THR 16 HG21 THR 16 -6.645 14.871 -0.853 120 HG22 THR 16 HG22 THR 16 -7.246 15.070 0.792 121 HG23 THR 16 HG23 THR 16 -7.093 13.457 0.100 122 H TYR 17 H TYR 17 -3.752 11.694 1.858 123 HA TYR 17 HA TYR 17 -6.033 9.920 1.397 124 HD1 TYR 17 HD1 TYR 17 -6.287 8.984 -0.911 125 HD2 TYR 17 HD2 TYR 17 -2.507 10.935 -0.870 126 HE1 TYR 17 HE1 TYR 17 -6.719 9.856 -3.171 127 HE2 TYR 17 HE2 TYR 17 -2.929 11.810 -3.127 128 HH TYR 17 HH TYR 17 -4.343 11.160 -5.115 129 HB2 TYR 17 HB2 TYR 17 -3.078 9.559 0.906 130 HB3 TYR 17 HB3 TYR 17 -4.276 8.294 0.641 131 H TYR 18 H TYR 18 -5.170 10.903 4.082 132 HA TYR 18 HA TYR 18 -4.064 8.809 5.573 133 HD1 TYR 18 HD2 TYR 18 -3.350 9.042 8.101 134 HD2 TYR 18 HD1 TYR 18 -7.418 10.289 8.096 135 HE1 TYR 18 HE2 TYR 18 -3.654 8.038 10.323 136 HE2 TYR 18 HE1 TYR 18 -7.734 9.284 10.317 137 HH TYR 18 HH TYR 18 -5.169 8.310 12.286 138 HB2 TYR 18 HB2 TYR 18 -4.301 10.971 6.598 139 HB3 TYR 18 HB3 TYR 18 -6.045 10.955 6.356 140 H ARG 19 H ARG 19 -4.816 6.913 6.226 141 HA ARG 19 HA ARG 19 -6.180 5.234 6.854 142 HE ARG 19 HE ARG 19 -10.329 4.124 9.239 143 HB2 ARG 19 HB2 ARG 19 -7.706 7.098 7.694 144 HB3 ARG 19 HB3 ARG 19 -8.589 6.904 6.183 145 HG2 ARG 19 HG2 ARG 19 -8.732 4.444 6.803 146 HG3 ARG 19 HG3 ARG 19 -8.251 4.954 8.419 147 HD2 ARG 19 HD2 ARG 19 -10.163 6.575 8.378 148 HD3 ARG 19 HD3 ARG 19 -10.694 5.813 6.879 149 HH11 ARG 19 HH11 ARG 19 -12.485 5.678 6.948 150 HH12 ARG 19 HH12 ARG 19 -13.884 4.781 7.466 151 HH21 ARG 19 HH21 ARG 19 -12.170 2.961 9.928 152 HH22 ARG 19 HH22 ARG 19 -13.713 3.252 9.180 153 H PHE 20 H PHE 20 -6.335 6.807 3.835 154 HA PHE 20 HA PHE 20 -7.973 4.875 2.508 155 HD1 PHE 20 HD2 PHE 20 -9.539 5.966 0.500 156 HD2 PHE 20 HD1 PHE 20 -7.193 8.903 2.495 157 HE1 PHE 20 HE2 PHE 20 -11.509 7.433 0.650 158 HE2 PHE 20 HE1 PHE 20 -9.160 10.372 2.649 159 HZ PHE 20 HZ PHE 20 -11.318 9.638 1.725 160 HB2 PHE 20 HB2 PHE 20 -6.146 7.052 1.496 161 HB3 PHE 20 HB3 PHE 20 -7.028 5.975 0.422 162 H GLU 21 H GLU 21 -7.194 3.496 0.760 163 HA GLU 21 HA GLU 21 -4.616 2.287 1.505 164 HB2 GLU 21 HB2 GLU 21 -7.123 0.924 0.502 165 HB3 GLU 21 HB3 GLU 21 -5.608 0.120 0.893 166 HG2 GLU 21 HG2 GLU 21 -5.832 0.624 3.197 167 HG3 GLU 21 HG3 GLU 21 -7.172 1.725 2.888 168 H GLY 22 H GLY 22 -3.228 1.703 -0.074 169 HA2 GLY 22 HA2 GLY 22 -4.097 1.962 -2.869 170 HA3 GLY 22 HA3 GLY 22 -2.709 2.893 -2.319 171 H LEU 23 H LEU 23 -2.022 1.406 -4.288 172 HA LEU 23 HA LEU 23 -0.920 -1.070 -3.117 173 HG LEU 23 HG LEU 23 0.144 -2.325 -5.637 174 HB2 LEU 23 HB2 LEU 23 -2.636 -1.399 -4.906 175 HB3 LEU 23 HB3 LEU 23 -1.578 -0.551 -6.016 176 HD11 LEU 23 HD11 LEU 23 -2.122 -3.725 -4.225 177 HD12 LEU 23 HD12 LEU 23 -0.661 -3.099 -3.461 178 HD13 LEU 23 HD13 LEU 23 -0.551 -4.421 -4.623 179 HD21 LEU 23 HD21 LEU 23 -2.529 -3.246 -6.675 180 HD22 LEU 23 HD22 LEU 23 -0.968 -3.986 -7.030 181 HD23 LEU 23 HD23 LEU 23 -1.315 -2.349 -7.585 182 H VAL 24 H VAL 24 1.222 -1.064 -2.909 183 HA VAL 24 HA VAL 24 2.913 0.967 -3.920 184 HB VAL 24 HB VAL 24 3.680 -1.808 -2.982 185 HG11 VAL 24 HG11 VAL 24 5.338 0.693 -3.299 186 HG12 VAL 24 HG12 VAL 24 5.464 -0.778 -4.264 187 HG13 VAL 24 HG13 VAL 24 5.891 -0.806 -2.552 188 HG21 VAL 24 HG21 VAL 24 2.457 -0.589 -1.269 189 HG22 VAL 24 HG22 VAL 24 3.529 0.797 -1.468 190 HG23 VAL 24 HG23 VAL 24 4.160 -0.723 -0.832 191 H GLN 25 H GLN 25 3.495 1.294 -5.919 192 HA GLN 25 HA GLN 25 3.217 -0.856 -7.865 193 HB2 GLN 25 HB2 GLN 25 3.746 2.100 -8.130 194 HB3 GLN 25 HB3 GLN 25 3.722 1.000 -9.498 195 HG2 GLN 25 HG2 GLN 25 1.432 1.529 -7.620 196 HG3 GLN 25 HG3 GLN 25 1.611 2.187 -9.245 197 HE21 GLN 25 HE21 GLN 25 0.923 -0.634 -7.351 198 HE22 GLN 25 HE22 GLN 25 0.298 -1.603 -8.640 199 H ARG 26 H ARG 26 5.678 1.053 -6.322 200 HA ARG 26 HA ARG 26 7.785 -0.615 -7.162 201 HE ARG 26 HE ARG 26 6.686 1.585 -10.821 202 HB2 ARG 26 HB2 ARG 26 8.989 1.006 -8.568 203 HB3 ARG 26 HB3 ARG 26 7.466 0.523 -9.299 204 HG2 ARG 26 HG2 ARG 26 6.442 2.616 -8.485 205 HG3 ARG 26 HG3 ARG 26 8.012 3.105 -7.844 206 HD2 ARG 26 HD2 ARG 26 7.581 4.131 -10.018 207 HD3 ARG 26 HD3 ARG 26 8.960 3.034 -10.088 208 HH11 ARG 26 HH11 ARG 26 8.538 4.312 -12.014 209 HH12 ARG 26 HH12 ARG 26 8.213 3.952 -13.682 210 HH21 ARG 26 HH21 ARG 26 6.224 1.138 -12.990 211 HH22 ARG 26 HH22 ARG 26 6.879 2.146 -14.250 212 H VAL 27 H VAL 27 9.711 -0.064 -6.198 213 HA VAL 27 HA VAL 27 9.586 1.828 -3.997 214 HB VAL 27 HB VAL 27 11.843 -0.011 -4.840 215 HG11 VAL 27 HG11 VAL 27 11.457 1.580 -2.306 216 HG12 VAL 27 HG12 VAL 27 12.670 1.872 -3.553 217 HG13 VAL 27 HG13 VAL 27 12.737 0.398 -2.585 218 HG21 VAL 27 HG21 VAL 27 11.142 -1.403 -2.933 219 HG22 VAL 27 HG22 VAL 27 9.898 -1.288 -4.177 220 HG23 VAL 27 HG23 VAL 27 9.751 -0.344 -2.696 221 H SER 28 H SER 28 10.351 3.846 -4.143 222 HA SER 28 HA SER 28 12.105 4.477 -6.421 223 HG SER 28 HG SER 28 10.059 5.176 -7.857 224 HB2 SER 28 HB2 SER 28 9.934 6.218 -5.233 225 HB3 SER 28 HB3 SER 28 11.008 6.676 -6.555 226 H ASP 29 H ASP 29 14.027 4.510 -5.450 227 HA ASP 29 HA ASP 29 15.778 5.210 -4.200 228 HB2 ASP 29 HB2 ASP 29 14.141 7.739 -4.283 229 HB3 ASP 29 HB3 ASP 29 15.761 7.670 -3.598 230 H GLY 30 H GLY 30 13.868 3.786 -2.736 231 HA2 GLY 30 HA2 GLY 30 14.078 3.170 -0.454 232 HA3 GLY 30 HA3 GLY 30 14.510 4.830 -0.074 233 H LYS 31 H LYS 31 12.091 5.455 -1.971 234 HA LYS 31 HA LYS 31 10.077 5.350 0.142 235 HB2 LYS 31 HB2 LYS 31 10.272 6.903 -2.445 236 HB3 LYS 31 HB3 LYS 31 8.888 6.952 -1.379 237 HG2 LYS 31 HG2 LYS 31 10.316 7.849 0.413 238 HG3 LYS 31 HG3 LYS 31 11.680 7.844 -0.710 239 HD2 LYS 31 HD2 LYS 31 10.492 9.384 -2.177 240 HD3 LYS 31 HD3 LYS 31 9.105 9.372 -1.089 241 HE2 LYS 31 HE2 LYS 31 10.522 10.314 0.687 242 HE3 LYS 31 HE3 LYS 31 11.876 10.365 -0.442 243 HZ1 LYS 31 HZ1 LYS 31 10.626 11.889 -1.832 244 HZ2 LYS 31 HZ2 LYS 31 10.773 12.515 -0.262 245 HZ3 LYS 31 HZ3 LYS 31 9.308 11.828 -0.765 246 H ALA 32 H ALA 32 7.743 5.208 -0.940 247 HA ALA 32 HA ALA 32 7.763 2.980 -2.871 248 HB1 ALA 32 HB1 ALA 32 5.957 3.217 -0.467 249 HB2 ALA 32 HB2 ALA 32 7.321 2.113 -0.619 250 HB3 ALA 32 HB3 ALA 32 5.922 1.931 -1.673 251 H ALA 33 H ALA 33 6.553 3.338 -4.609 252 HA ALA 33 HA ALA 33 4.937 5.739 -4.744 253 HB1 ALA 33 HB1 ALA 33 5.498 3.657 -6.857 254 HB2 ALA 33 HB2 ALA 33 6.427 5.134 -6.603 255 HB3 ALA 33 HB3 ALA 33 4.742 5.228 -7.117 256 H VAL 34 H VAL 34 2.963 5.640 -3.917 257 HA VAL 34 HA VAL 34 1.519 3.102 -3.923 258 HB VAL 34 HB VAL 34 0.781 5.702 -2.571 259 HG11 VAL 34 HG11 VAL 34 -0.704 4.293 -1.209 260 HG12 VAL 34 HG12 VAL 34 -0.264 2.896 -2.191 261 HG13 VAL 34 HG13 VAL 34 -1.131 4.248 -2.919 262 HG21 VAL 34 HG21 VAL 34 2.902 4.861 -1.727 263 HG22 VAL 34 HG22 VAL 34 2.172 3.283 -1.429 264 HG23 VAL 34 HG23 VAL 34 1.631 4.691 -0.516 265 H LEU 35 H LEU 35 0.015 2.683 -5.361 266 HA LEU 35 HA LEU 35 -1.111 4.871 -6.948 267 HG LEU 35 HG LEU 35 -3.095 3.182 -8.524 268 HB2 LEU 35 HB2 LEU 35 -0.135 2.893 -8.097 269 HB3 LEU 35 HB3 LEU 35 -1.354 1.895 -7.345 270 HD11 LEU 35 HD11 LEU 35 -0.776 4.488 -9.931 271 HD12 LEU 35 HD12 LEU 35 -1.880 5.281 -8.808 272 HD13 LEU 35 HD13 LEU 35 -2.478 4.673 -10.351 273 HD21 LEU 35 HD21 LEU 35 -0.984 1.971 -10.295 274 HD22 LEU 35 HD22 LEU 35 -2.668 2.243 -10.743 275 HD23 LEU 35 HD23 LEU 35 -2.271 1.097 -9.462 276 H PHE 36 H PHE 36 -3.057 5.597 -6.527 277 HA PHE 36 HA PHE 36 -4.954 3.882 -5.082 278 HD1 PHE 36 HD2 PHE 36 -5.453 5.071 -2.433 279 HD2 PHE 36 HD1 PHE 36 -3.019 7.597 -4.847 280 HE1 PHE 36 HE2 PHE 36 -4.006 5.526 -0.496 281 HE2 PHE 36 HE1 PHE 36 -1.572 8.054 -2.911 282 HZ PHE 36 HZ PHE 36 -2.064 7.017 -0.734 283 HB2 PHE 36 HB2 PHE 36 -5.163 6.850 -5.634 284 HB3 PHE 36 HB3 PHE 36 -6.227 5.900 -4.607 285 H GLU 37 H GLU 37 -6.872 3.304 -6.025 286 HA GLU 37 HA GLU 37 -7.356 4.131 -8.797 287 HB2 GLU 37 HB2 GLU 37 -5.865 1.921 -8.328 288 HB3 GLU 37 HB3 GLU 37 -7.469 1.210 -8.266 289 HG2 GLU 37 HG2 GLU 37 -6.405 2.828 -10.568 290 HG3 GLU 37 HG3 GLU 37 -6.385 1.069 -10.478 291 H ASN 38 H ASN 38 -9.513 4.239 -9.258 292 HA ASN 38 HA ASN 38 -11.375 2.997 -7.332 293 HB2 ASN 38 HB2 ASN 38 -10.953 5.526 -7.038 294 HB3 ASN 38 HB3 ASN 38 -11.875 5.722 -8.523 295 HD21 ASN 38 HD21 ASN 38 -14.091 5.479 -8.473 296 HD22 ASN 38 HD22 ASN 38 -14.986 5.250 -7.011 297 H GLY 39 H GLY 39 -10.434 2.435 -10.194 298 HA2 GLY 39 HA2 GLY 39 -11.694 1.001 -11.609 299 HA3 GLY 39 HA3 GLY 39 -13.157 1.845 -11.129 300 H ASN 40 H ASN 40 -10.641 3.961 -11.787 301 HA ASN 40 HA ASN 40 -10.455 4.283 -14.481 302 HB2 ASN 40 HB2 ASN 40 -12.903 4.456 -14.642 303 HB3 ASN 40 HB3 ASN 40 -12.897 5.780 -13.478 304 HD21 ASN 40 HD21 ASN 40 -12.031 4.811 -16.730 305 HD22 ASN 40 HD22 ASN 40 -11.882 6.418 -17.364 306 H TRP 41 H TRP 41 -11.355 6.138 -11.615 307 HA TRP 41 HA TRP 41 -9.453 8.222 -12.189 308 HD1 TRP 41 HD1 TRP 41 -9.751 11.041 -10.782 309 HE1 TRP 41 HE1 TRP 41 -8.489 11.997 -8.755 310 HE3 TRP 41 HE3 TRP 41 -10.047 7.001 -7.657 311 HZ2 TRP 41 HZ2 TRP 41 -7.735 11.158 -6.167 312 HZ3 TRP 41 HZ3 TRP 41 -9.034 7.163 -5.422 313 HH2 TRP 41 HH2 TRP 41 -7.900 9.201 -4.694 314 HB2 TRP 41 HB2 TRP 41 -11.386 8.911 -11.007 315 HB3 TRP 41 HB3 TRP 41 -11.224 7.631 -9.813 316 H ASP 42 H ASP 42 -7.484 8.493 -11.320 317 HA ASP 42 HA ASP 42 -6.502 6.751 -9.241 318 HB2 ASP 42 HB2 ASP 42 -4.822 5.626 -10.448 319 HB3 ASP 42 HB3 ASP 42 -6.251 5.481 -11.460 320 H LYS 43 H LYS 43 -4.330 7.293 -8.594 321 HA LYS 43 HA LYS 43 -2.921 9.478 -9.749 322 HB2 LYS 43 HB2 LYS 43 -4.653 10.740 -8.474 323 HB3 LYS 43 HB3 LYS 43 -4.100 9.956 -7.000 324 HG2 LYS 43 HG2 LYS 43 -1.867 10.959 -7.351 325 HG3 LYS 43 HG3 LYS 43 -2.509 11.814 -8.754 326 HD2 LYS 43 HD2 LYS 43 -4.132 12.951 -7.308 327 HD3 LYS 43 HD3 LYS 43 -3.477 12.098 -5.908 328 HE2 LYS 43 HE2 LYS 43 -1.275 13.134 -6.366 329 HE3 LYS 43 HE3 LYS 43 -2.012 14.055 -7.675 330 HZ1 LYS 43 HZ1 LYS 43 -1.917 15.435 -5.755 331 HZ2 LYS 43 HZ2 LYS 43 -2.632 14.252 -4.775 332 HZ3 LYS 43 HZ3 LYS 43 -3.544 15.015 -5.983 333 H LEU 44 H LEU 44 -1.030 8.460 -9.717 334 HA LEU 44 HA LEU 44 -0.207 6.794 -7.520 335 HG LEU 44 HG LEU 44 1.854 5.518 -7.961 336 HB2 LEU 44 HB2 LEU 44 0.406 6.428 -9.935 337 HB3 LEU 44 HB3 LEU 44 1.445 7.832 -9.828 338 HD11 LEU 44 HD11 LEU 44 3.453 4.591 -9.578 339 HD12 LEU 44 HD12 LEU 44 2.913 5.771 -10.775 340 HD13 LEU 44 HD13 LEU 44 1.797 4.539 -10.181 341 HD21 LEU 44 HD21 LEU 44 4.157 6.310 -7.993 342 HD22 LEU 44 HD22 LEU 44 3.059 7.613 -7.540 343 HD23 LEU 44 HD23 LEU 44 3.729 7.551 -9.171 344 H VAL 45 H VAL 45 0.623 7.522 -5.686 345 HA VAL 45 HA VAL 45 2.199 10.014 -5.738 346 HB VAL 45 HB VAL 45 0.363 9.213 -3.470 347 HG11 VAL 45 HG11 VAL 45 0.795 11.486 -2.661 348 HG12 VAL 45 HG12 VAL 45 1.894 11.754 -4.013 349 HG13 VAL 45 HG13 VAL 45 2.282 10.546 -2.788 350 HG21 VAL 45 HG21 VAL 45 -0.073 11.325 -5.581 351 HG22 VAL 45 HG22 VAL 45 -1.101 11.041 -4.175 352 HG23 VAL 45 HG23 VAL 45 -0.963 9.812 -5.433 353 H THR 46 H THR 46 4.188 9.720 -4.986 354 HA THR 46 HA THR 46 4.887 7.210 -3.735 355 HB THR 46 HB THR 46 6.771 9.506 -4.124 356 HG1 THR 46 HG1 THR 46 5.695 9.213 -6.128 357 HG21 THR 46 HG21 THR 46 7.103 6.509 -4.245 358 HG22 THR 46 HG22 THR 46 7.613 7.563 -2.925 359 HG23 THR 46 HG23 THR 46 8.388 7.688 -4.505 360 H PHE 47 H PHE 47 5.180 6.884 -1.666 361 HA PHE 47 HA PHE 47 5.469 9.175 0.167 362 HD1 PHE 47 HD1 PHE 47 3.285 10.148 1.581 363 HD2 PHE 47 HD2 PHE 47 2.064 6.822 -0.771 364 HE1 PHE 47 HE1 PHE 47 1.210 11.332 0.993 365 HE2 PHE 47 HE2 PHE 47 -0.012 7.998 -1.368 366 HZ PHE 47 HZ PHE 47 -0.442 10.258 -0.485 367 HB2 PHE 47 HB2 PHE 47 3.903 6.625 0.652 368 HB3 PHE 47 HB3 PHE 47 4.241 7.836 1.877 369 H ARG 48 H ARG 48 6.260 8.196 2.403 370 HA ARG 48 HA ARG 48 8.636 6.634 1.815 371 HE ARG 48 HE ARG 48 10.127 11.418 3.767 372 HB2 ARG 48 HB2 ARG 48 7.682 7.638 4.501 373 HB3 ARG 48 HB3 ARG 48 9.291 7.073 4.092 374 HG2 ARG 48 HG2 ARG 48 9.697 9.011 2.742 375 HG3 ARG 48 HG3 ARG 48 8.021 9.543 2.934 376 HD2 ARG 48 HD2 ARG 48 8.411 9.653 5.390 377 HD3 ARG 48 HD3 ARG 48 10.110 9.299 5.092 378 HH11 ARG 48 HH11 ARG 48 7.750 10.882 6.287 379 HH12 ARG 48 HH12 ARG 48 7.566 12.572 6.662 380 HH21 ARG 48 HH21 ARG 48 9.898 13.643 4.257 381 HH22 ARG 48 HH22 ARG 48 8.782 14.144 5.502 382 H LEU 49 H LEU 49 9.144 4.748 3.173 383 HA LEU 49 HA LEU 49 7.015 2.884 3.370 384 HG LEU 49 HG LEU 49 10.276 1.163 2.702 385 HB2 LEU 49 HB2 LEU 49 9.893 2.907 4.227 386 HB3 LEU 49 HB3 LEU 49 8.838 1.596 4.702 387 HD11 LEU 49 HD11 LEU 49 8.499 0.065 1.418 388 HD12 LEU 49 HD12 LEU 49 7.296 0.989 2.319 389 HD13 LEU 49 HD13 LEU 49 8.314 -0.186 3.154 390 HD21 LEU 49 HD21 LEU 49 8.411 3.111 1.377 391 HD22 LEU 49 HD22 LEU 49 9.553 2.055 0.545 392 HD23 LEU 49 HD23 LEU 49 10.144 3.322 1.622 393 H SER 50 H SER 50 8.663 5.060 5.514 394 HA SER 50 HA SER 50 7.550 4.169 7.956 395 HG SER 50 HG SER 50 8.125 7.816 7.020 396 HB2 SER 50 HB2 SER 50 8.163 6.509 8.717 397 HB3 SER 50 HB3 SER 50 9.485 5.581 8.010 398 H GLU 51 H GLU 51 6.265 5.894 5.275 399 HA GLU 51 HA GLU 51 4.234 7.248 6.893 400 HB2 GLU 51 HB2 GLU 51 4.495 7.191 3.883 401 HB3 GLU 51 HB3 GLU 51 3.466 8.256 4.826 402 HG2 GLU 51 HG2 GLU 51 6.453 8.271 4.609 403 HG3 GLU 51 HG3 GLU 51 5.313 9.533 4.152 404 H LEU 52 H LEU 52 4.587 4.209 5.640 405 HA LEU 52 HA LEU 52 1.702 3.894 5.176 406 HG LEU 52 HG LEU 52 3.692 4.777 3.006 407 HB2 LEU 52 HB2 LEU 52 3.976 2.428 3.843 408 HB3 LEU 52 HB3 LEU 52 2.274 2.178 3.537 409 HD11 LEU 52 HD11 LEU 52 3.663 4.114 0.647 410 HD12 LEU 52 HD12 LEU 52 3.048 2.527 1.107 411 HD13 LEU 52 HD13 LEU 52 4.656 3.032 1.622 412 HD21 LEU 52 HD21 LEU 52 1.281 4.963 3.328 413 HD22 LEU 52 HD22 LEU 52 1.016 3.718 2.107 414 HD23 LEU 52 HD23 LEU 52 1.728 5.266 1.650 415 H GLU 53 H GLU 53 0.764 1.921 5.808 416 HA GLU 53 HA GLU 53 2.534 -0.011 7.139 417 HB2 GLU 53 HB2 GLU 53 0.699 -0.607 8.677 418 HB3 GLU 53 HB3 GLU 53 1.243 1.047 8.901 419 HG2 GLU 53 HG2 GLU 53 -0.686 1.895 7.764 420 HG3 GLU 53 HG3 GLU 53 -1.193 0.266 7.318 421 H ALA 54 H ALA 54 1.983 -2.206 6.826 422 HA ALA 54 HA ALA 54 0.836 -2.623 4.216 423 HB1 ALA 54 HB1 ALA 54 2.866 -3.808 4.925 424 HB2 ALA 54 HB2 ALA 54 1.577 -4.922 4.469 425 HB3 ALA 54 HB3 ALA 54 1.934 -4.640 6.172 426 H VAL 55 H VAL 55 -1.120 -3.398 3.723 427 HA VAL 55 HA VAL 55 -2.951 -4.000 5.924 428 HB VAL 55 HB VAL 55 -3.761 -3.916 3.028 429 HG11 VAL 55 HG11 VAL 55 -5.416 -4.690 4.622 430 HG12 VAL 55 HG12 VAL 55 -5.891 -3.125 3.961 431 HG13 VAL 55 HG13 VAL 55 -5.203 -3.226 5.582 432 HG21 VAL 55 HG21 VAL 55 -2.503 -1.871 3.349 433 HG22 VAL 55 HG22 VAL 55 -3.406 -1.518 4.823 434 HG23 VAL 55 HG23 VAL 55 -4.225 -1.506 3.261 435 H LYS 56 H LYS 56 -4.614 -5.822 5.224 436 HA LYS 56 HA LYS 56 -2.980 -8.187 4.782 437 HB2 LYS 56 HB2 LYS 56 -5.677 -7.659 5.949 438 HB3 LYS 56 HB3 LYS 56 -5.342 -9.258 5.308 439 HG2 LYS 56 HG2 LYS 56 -4.942 -9.189 7.690 440 HG3 LYS 56 HG3 LYS 56 -3.438 -9.474 6.819 441 HD2 LYS 56 HD2 LYS 56 -2.808 -7.145 7.107 442 HD3 LYS 56 HD3 LYS 56 -4.350 -6.808 7.894 443 HE2 LYS 56 HE2 LYS 56 -3.787 -8.267 9.728 444 HE3 LYS 56 HE3 LYS 56 -2.306 -8.773 8.918 445 HZ1 LYS 56 HZ1 LYS 56 -1.959 -7.088 10.672 446 HZ2 LYS 56 HZ2 LYS 56 -2.867 -5.979 9.759 447 HZ3 LYS 56 HZ3 LYS 56 -1.409 -6.590 9.147 448 HA PRO 57 HA PRO 57 -4.487 -8.624 0.590 449 HB2 PRO 57 HB2 PRO 57 -3.458 -11.061 0.100 450 HB3 PRO 57 HB3 PRO 57 -2.438 -9.619 0.190 451 HG2 PRO 57 HG2 PRO 57 -2.936 -11.721 2.263 452 HG3 PRO 57 HG3 PRO 57 -1.408 -10.951 1.800 453 HD2 PRO 57 HD2 PRO 57 -2.847 -10.218 3.994 454 HD3 PRO 57 HD3 PRO 57 -1.807 -9.098 3.091 455 H ILE 58 H ILE 58 -5.347 -10.843 -0.587 456 HA ILE 58 HA ILE 58 -7.880 -11.356 0.591 457 HB ILE 58 HB ILE 58 -6.623 -13.091 -1.525 458 HG12 ILE 58 HG12 ILE 58 -7.941 -11.497 -3.123 459 HG13 ILE 58 HG13 ILE 58 -7.817 -10.343 -1.804 460 HG21 ILE 58 HG21 ILE 58 -8.692 -13.924 -0.624 461 HG22 ILE 58 HG22 ILE 58 -8.941 -13.375 -2.281 462 HG23 ILE 58 HG23 ILE 58 -9.483 -12.378 -0.931 463 HD11 ILE 58 HD11 ILE 58 -5.392 -10.450 -1.919 464 HD12 ILE 58 HD12 ILE 58 -6.087 -10.008 -3.479 465 HD13 ILE 58 HD13 ILE 58 -5.500 -11.649 -3.209 466 H LEU 59 H LEU 59 -8.666 -13.434 1.329 467 HA LEU 59 HA LEU 59 -6.669 -14.613 3.080 468 HG LEU 59 HG LEU 59 -9.442 -13.945 5.414 469 HB2 LEU 59 HB2 LEU 59 -9.676 -14.745 3.047 470 HB3 LEU 59 HB3 LEU 59 -8.712 -15.769 4.092 471 HD11 LEU 59 HD11 LEU 59 -6.613 -13.335 4.585 472 HD12 LEU 59 HD12 LEU 59 -7.096 -14.593 5.723 473 HD13 LEU 59 HD13 LEU 59 -7.384 -12.895 6.110 474 HD21 LEU 59 HD21 LEU 59 -10.100 -12.408 3.650 475 HD22 LEU 59 HD22 LEU 59 -8.407 -12.102 3.264 476 HD23 LEU 59 HD23 LEU 59 -9.060 -11.600 4.823 477 H GLU 60 H GLU 60 -5.584 -15.761 1.401 478 HA GLU 60 HA GLU 60 -6.853 -17.978 0.101 479 HB2 GLU 60 HB2 GLU 60 -3.914 -17.456 0.587 480 HB3 GLU 60 HB3 GLU 60 -4.578 -18.638 -0.527 481 HG2 GLU 60 HG2 GLU 60 -5.546 -16.848 -1.867 482 HG3 GLU 60 HG3 GLU 60 -4.892 -15.654 -0.742 483 H HIS 61 H HIS 61 -6.423 -20.223 0.541 484 HA HIS 61 HA HIS 61 -5.920 -20.728 3.382 485 HD1 HIS 61 HD1 HIS 61 -8.279 -22.521 4.749 486 HD2 HIS 61 HD2 HIS 61 -5.529 -24.770 2.579 487 HE1 HIS 61 HE1 HIS 61 -7.774 -24.534 6.167 488 HE2 HIS 61 HE2 HIS 61 -6.011 -25.813 4.901 489 HB2 HIS 61 HB2 HIS 61 -7.976 -21.698 2.353 490 HB3 HIS 61 HB3 HIS 61 -6.953 -22.652 1.283 491 H HIS 62 H HIS 62 -3.740 -20.712 3.622 492 HA HIS 62 HA HIS 62 -2.074 -22.169 1.749 493 HD1 HIS 62 HD1 HIS 62 -2.206 -18.804 4.728 494 HD2 HIS 62 HD2 HIS 62 -0.147 -22.267 5.780 495 HE1 HIS 62 HE1 HIS 62 -1.961 -18.720 7.236 496 HE2 HIS 62 HE2 HIS 62 -0.726 -20.836 7.857 497 HB2 HIS 62 HB2 HIS 62 -0.182 -21.383 3.047 498 HB3 HIS 62 HB3 HIS 62 -1.268 -20.039 2.731 499 H HIS 63 H HIS 63 -0.871 -24.030 2.250 500 HA HIS 63 HA HIS 63 -1.172 -25.329 4.786 501 HD1 HIS 63 HD1 HIS 63 -1.950 -28.753 2.025 502 HD2 HIS 63 HD2 HIS 63 -3.590 -25.061 1.013 503 HE1 HIS 63 HE1 HIS 63 -2.490 -28.895 -0.429 504 HE2 HIS 63 HE2 HIS 63 -3.494 -26.658 -1.023 505 HB2 HIS 63 HB2 HIS 63 -2.394 -27.299 4.027 506 HB3 HIS 63 HB3 HIS 63 -3.369 -25.857 3.786 507 H HIS 64 H HIS 64 0.336 -26.883 5.106 508 HA HIS 64 HA HIS 64 1.782 -27.960 2.802 509 HD1 HIS 64 HD1 HIS 64 3.649 -24.307 4.498 510 HD2 HIS 64 HD2 HIS 64 3.683 -26.944 1.284 511 HE1 HIS 64 HE1 HIS 64 4.347 -22.941 2.508 512 HE2 HIS 64 HE2 HIS 64 4.517 -24.588 0.611 513 HB2 HIS 64 HB2 HIS 64 3.023 -26.581 5.182 514 HB3 HIS 64 HB3 HIS 64 3.911 -27.785 4.253 515 H HIS 65 H HIS 65 3.064 -29.922 3.468 516 HA HIS 65 HA HIS 65 2.170 -31.170 5.932 517 HD1 HIS 65 HD1 HIS 65 1.945 -34.695 3.142 518 HD2 HIS 65 HD2 HIS 65 1.235 -30.894 1.608 519 HE1 HIS 65 HE1 HIS 65 2.258 -34.898 0.656 520 HE2 HIS 65 HE2 HIS 65 2.035 -32.544 -0.220 521 HB2 HIS 65 HB2 HIS 65 1.179 -33.114 4.887 522 HB3 HIS 65 HB3 HIS 65 0.351 -31.671 4.319 523 H HIS 66 H HIS 66 3.329 -33.053 6.480 524 HA HIS 66 HA HIS 66 5.741 -33.502 4.859 525 HD1 HIS 66 HD1 HIS 66 4.658 -31.728 8.747 526 HD2 HIS 66 HD2 HIS 66 5.785 -35.739 8.849 527 HE1 HIS 66 HE1 HIS 66 3.802 -32.627 10.935 528 HE2 HIS 66 HE2 HIS 66 4.529 -35.039 11.004 529 HB2 HIS 66 HB2 HIS 66 6.969 -34.012 6.936 530 HB3 HIS 66 HB3 HIS 66 6.353 -32.368 6.937 Start of MODEL 2 1 HA MET 1 HA MET 1 10.622 -3.288 3.964 2 H1 MET 1 H1 MET 1 9.122 -3.388 5.829 3 H2 MET 1 H2 MET 1 10.629 -4.045 6.248 4 H3 MET 1 H3 MET 1 9.310 -5.068 5.934 5 HB2 MET 1 HB2 MET 1 11.985 -5.253 4.664 6 HB3 MET 1 HB3 MET 1 10.661 -6.308 4.190 7 HG2 MET 1 HG2 MET 1 10.872 -5.555 1.887 8 HG3 MET 1 HG3 MET 1 12.190 -4.478 2.355 9 HE1 MET 1 HE1 MET 1 12.523 -6.496 -0.011 10 HE2 MET 1 HE2 MET 1 14.093 -7.220 0.333 11 HE3 MET 1 HE3 MET 1 13.851 -5.488 0.562 12 H ILE 2 H ILE 2 9.196 -2.638 2.501 13 HA ILE 2 HA ILE 2 6.766 -4.227 2.098 14 HB ILE 2 HB ILE 2 7.371 -1.406 1.192 15 HG12 ILE 2 HG12 ILE 2 5.698 -2.423 3.499 16 HG13 ILE 2 HG13 ILE 2 7.236 -1.579 3.638 17 HG21 ILE 2 HG21 ILE 2 4.791 -2.968 1.159 18 HG22 ILE 2 HG22 ILE 2 5.742 -2.489 -0.247 19 HG23 ILE 2 HG23 ILE 2 4.961 -1.260 0.748 20 HD11 ILE 2 HD11 ILE 2 6.215 0.420 2.668 21 HD12 ILE 2 HD12 ILE 2 5.380 -0.105 4.130 22 HD13 ILE 2 HD13 ILE 2 4.674 -0.431 2.548 23 H PHE 3 H PHE 3 6.110 -4.883 0.048 24 HA PHE 3 HA PHE 3 8.261 -4.928 -1.960 25 HD1 PHE 3 HD1 PHE 3 9.665 -7.543 -2.327 26 HD2 PHE 3 HD2 PHE 3 6.913 -7.437 0.915 27 HE1 PHE 3 HE1 PHE 3 11.324 -8.654 -0.884 28 HE2 PHE 3 HE2 PHE 3 8.558 -8.551 2.359 29 HZ PHE 3 HZ PHE 3 10.771 -9.160 1.459 30 HB2 PHE 3 HB2 PHE 3 6.183 -7.039 -1.346 31 HB3 PHE 3 HB3 PHE 3 7.310 -7.112 -2.696 32 HA PRO 4 HA PRO 4 5.474 -2.946 -4.779 33 HB2 PRO 4 HB2 PRO 4 6.843 -4.465 -6.907 34 HB3 PRO 4 HB3 PRO 4 6.718 -2.719 -6.677 35 HG2 PRO 4 HG2 PRO 4 9.022 -4.020 -6.251 36 HG3 PRO 4 HG3 PRO 4 8.532 -2.641 -5.248 37 HD2 PRO 4 HD2 PRO 4 8.388 -5.571 -4.640 38 HD3 PRO 4 HD3 PRO 4 8.855 -4.222 -3.582 39 H GLY 5 H GLY 5 3.505 -3.444 -5.524 40 HA2 GLY 5 HA2 GLY 5 1.965 -4.820 -6.723 41 HA3 GLY 5 HA3 GLY 5 2.947 -6.221 -6.316 42 H ALA 6 H ALA 6 2.902 -4.577 -3.542 43 HA ALA 6 HA ALA 6 0.616 -6.100 -2.533 44 HB1 ALA 6 HB1 ALA 6 2.750 -6.479 -1.419 45 HB2 ALA 6 HB2 ALA 6 1.592 -5.737 -0.314 46 HB3 ALA 6 HB3 ALA 6 2.869 -4.760 -1.040 47 H THR 7 H THR 7 -0.762 -5.082 -0.891 48 HA THR 7 HA THR 7 -1.310 -2.290 -1.605 49 HB THR 7 HB THR 7 -3.071 -4.137 0.006 50 HG1 THR 7 HG1 THR 7 -2.512 -4.114 -2.679 51 HG21 THR 7 HG21 THR 7 -4.852 -2.612 -0.691 52 HG22 THR 7 HG22 THR 7 -3.683 -1.646 -1.587 53 HG23 THR 7 HG23 THR 7 -3.584 -1.741 0.171 54 H VAL 8 H VAL 8 -1.031 -0.684 -0.186 55 HA VAL 8 HA VAL 8 -0.560 -1.383 2.635 56 HB VAL 8 HB VAL 8 1.026 0.518 2.778 57 HG11 VAL 8 HG11 VAL 8 1.796 -1.608 0.785 58 HG12 VAL 8 HG12 VAL 8 1.854 -1.759 2.541 59 HG13 VAL 8 HG13 VAL 8 2.915 -0.614 1.720 60 HG21 VAL 8 HG21 VAL 8 1.978 1.458 0.732 61 HG22 VAL 8 HG22 VAL 8 0.252 1.801 0.859 62 HG23 VAL 8 HG23 VAL 8 0.822 0.535 -0.229 63 H ARG 9 H ARG 9 -1.147 0.267 4.160 64 HA ARG 9 HA ARG 9 -3.187 2.102 3.086 65 HE ARG 9 HE ARG 9 -3.728 1.724 7.786 66 HB2 ARG 9 HB2 ARG 9 -3.881 0.316 4.762 67 HB3 ARG 9 HB3 ARG 9 -2.917 1.181 5.951 68 HG2 ARG 9 HG2 ARG 9 -4.316 3.198 5.509 69 HG3 ARG 9 HG3 ARG 9 -5.347 2.192 4.491 70 HD2 ARG 9 HD2 ARG 9 -6.373 2.295 6.632 71 HD3 ARG 9 HD3 ARG 9 -5.671 0.684 6.465 72 HH11 ARG 9 HH11 ARG 9 -7.103 2.544 8.205 73 HH12 ARG 9 HH12 ARG 9 -6.899 3.074 9.856 74 HH21 ARG 9 HH21 ARG 9 -3.443 2.378 9.933 75 HH22 ARG 9 HH22 ARG 9 -4.808 2.961 10.847 76 H VAL 10 H VAL 10 -3.106 4.270 3.620 77 HA VAL 10 HA VAL 10 -0.563 5.291 4.502 78 HB VAL 10 HB VAL 10 -3.144 6.784 3.989 79 HG11 VAL 10 HG11 VAL 10 -1.599 8.067 5.365 80 HG12 VAL 10 HG12 VAL 10 -1.705 8.759 3.746 81 HG13 VAL 10 HG13 VAL 10 -0.305 7.786 4.201 82 HG21 VAL 10 HG21 VAL 10 -2.122 7.336 1.806 83 HG22 VAL 10 HG22 VAL 10 -2.443 5.613 1.999 84 HG23 VAL 10 HG23 VAL 10 -0.800 6.227 2.176 85 H THR 11 H THR 11 0.003 5.357 6.567 86 HA THR 11 HA THR 11 -2.026 5.290 8.651 87 HB THR 11 HB THR 11 0.965 5.276 9.040 88 HG1 THR 11 HG1 THR 11 -0.718 2.990 8.699 89 HG21 THR 11 HG21 THR 11 -1.303 4.117 10.664 90 HG22 THR 11 HG22 THR 11 -0.416 5.591 11.050 91 HG23 THR 11 HG23 THR 11 0.411 4.032 11.073 92 H ASN 12 H ASN 12 0.003 7.582 7.110 93 HA ASN 12 HA ASN 12 0.403 9.373 9.266 94 HB2 ASN 12 HB2 ASN 12 1.721 9.454 7.162 95 HB3 ASN 12 HB3 ASN 12 0.290 10.024 6.309 96 HD21 ASN 12 HD21 ASN 12 1.242 11.963 5.725 97 HD22 ASN 12 HD22 ASN 12 1.570 13.227 6.866 98 H VAL 13 H VAL 13 -1.203 10.193 10.390 99 HA VAL 13 HA VAL 13 -3.869 10.411 9.443 100 HB VAL 13 HB VAL 13 -2.631 11.642 11.905 101 HG11 VAL 13 HG11 VAL 13 -4.901 11.643 12.798 102 HG12 VAL 13 HG12 VAL 13 -5.506 11.011 11.266 103 HG13 VAL 13 HG13 VAL 13 -4.785 12.620 11.334 104 HG21 VAL 13 HG21 VAL 13 -3.473 9.652 13.081 105 HG22 VAL 13 HG22 VAL 13 -2.259 9.247 11.869 106 HG23 VAL 13 HG23 VAL 13 -3.967 8.965 11.533 107 H ASP 14 H ASP 14 -1.190 12.611 9.636 108 HA ASP 14 HA ASP 14 -2.608 15.037 9.431 109 HB2 ASP 14 HB2 ASP 14 -0.280 14.967 10.152 110 HB3 ASP 14 HB3 ASP 14 0.208 14.351 8.576 111 H ASP 15 H ASP 15 -1.778 12.627 7.088 112 HA ASP 15 HA ASP 15 -2.024 14.410 4.828 113 HB2 ASP 15 HB2 ASP 15 -0.505 12.347 4.952 114 HB3 ASP 15 HB3 ASP 15 -1.968 11.403 4.693 115 H THR 16 H THR 16 -3.601 14.131 3.155 116 HA THR 16 HA THR 16 -6.250 13.918 4.187 117 HB THR 16 HB THR 16 -5.558 14.033 1.258 118 HG1 THR 16 HG1 THR 16 -5.636 16.279 3.024 119 HG21 THR 16 HG21 THR 16 -7.563 15.435 1.154 120 HG22 THR 16 HG22 THR 16 -7.763 15.290 2.902 121 HG23 THR 16 HG23 THR 16 -7.928 13.865 1.873 122 H TYR 17 H TYR 17 -4.071 11.782 2.506 123 HA TYR 17 HA TYR 17 -6.201 9.968 1.709 124 HD1 TYR 17 HD1 TYR 17 -5.921 9.177 -1.063 125 HD2 TYR 17 HD2 TYR 17 -2.937 11.933 0.205 126 HE1 TYR 17 HE1 TYR 17 -6.247 10.475 -3.128 127 HE2 TYR 17 HE2 TYR 17 -3.259 13.235 -1.851 128 HH TYR 17 HH TYR 17 -5.903 12.732 -3.960 129 HB2 TYR 17 HB2 TYR 17 -3.202 9.846 1.339 130 HB3 TYR 17 HB3 TYR 17 -4.319 8.621 0.746 131 H TYR 18 H TYR 18 -5.446 10.497 4.566 132 HA TYR 18 HA TYR 18 -4.299 8.170 5.662 133 HD1 TYR 18 HD2 TYR 18 -3.690 7.680 7.969 134 HD2 TYR 18 HD1 TYR 18 -7.383 9.659 8.709 135 HE1 TYR 18 HE2 TYR 18 -3.966 6.380 10.037 136 HE2 TYR 18 HE1 TYR 18 -7.669 8.366 10.780 137 HH TYR 18 HH TYR 18 -5.134 6.528 12.161 138 HB2 TYR 18 HB2 TYR 18 -4.458 10.148 7.012 139 HB3 TYR 18 HB3 TYR 18 -6.205 10.207 6.823 140 H ARG 19 H ARG 19 -5.100 6.239 6.173 141 HA ARG 19 HA ARG 19 -6.486 4.470 6.428 142 HE ARG 19 HE ARG 19 -9.717 3.506 8.815 143 HB2 ARG 19 HB2 ARG 19 -8.661 6.539 6.268 144 HB3 ARG 19 HB3 ARG 19 -9.008 4.822 6.372 145 HG2 ARG 19 HG2 ARG 19 -7.588 4.822 8.482 146 HG3 ARG 19 HG3 ARG 19 -7.695 6.585 8.408 147 HD2 ARG 19 HD2 ARG 19 -9.437 5.753 9.847 148 HD3 ARG 19 HD3 ARG 19 -10.162 6.387 8.370 149 HH11 ARG 19 HH11 ARG 19 -11.722 6.169 7.743 150 HH12 ARG 19 HH12 ARG 19 -13.033 5.145 7.239 151 HH21 ARG 19 HH21 ARG 19 -11.429 2.152 8.162 152 HH22 ARG 19 HH22 ARG 19 -12.880 2.861 7.512 153 H PHE 20 H PHE 20 -6.068 6.176 3.681 154 HA PHE 20 HA PHE 20 -7.778 4.534 2.016 155 HD1 PHE 20 HD1 PHE 20 -7.384 8.046 2.784 156 HD2 PHE 20 HD2 PHE 20 -8.408 6.089 -0.854 157 HE1 PHE 20 HE1 PHE 20 -9.325 9.533 2.534 158 HE2 PHE 20 HE2 PHE 20 -10.353 7.574 -1.108 159 HZ PHE 20 HZ PHE 20 -10.812 9.298 0.585 160 HB2 PHE 20 HB2 PHE 20 -5.738 6.659 1.438 161 HB3 PHE 20 HB3 PHE 20 -6.363 5.638 0.158 162 H GLU 21 H GLU 21 -7.018 3.046 0.507 163 HA GLU 21 HA GLU 21 -4.480 1.779 1.268 164 HB2 GLU 21 HB2 GLU 21 -6.977 0.532 0.098 165 HB3 GLU 21 HB3 GLU 21 -5.476 -0.330 0.416 166 HG2 GLU 21 HG2 GLU 21 -5.700 0.165 2.799 167 HG3 GLU 21 HG3 GLU 21 -7.205 1.023 2.478 168 H GLY 22 H GLY 22 -2.936 1.709 -0.217 169 HA2 GLY 22 HA2 GLY 22 -3.711 2.194 -3.024 170 HA3 GLY 22 HA3 GLY 22 -2.340 3.008 -2.282 171 H LEU 23 H LEU 23 -2.277 1.375 -4.615 172 HA LEU 23 HA LEU 23 -1.043 -1.111 -3.752 173 HG LEU 23 HG LEU 23 -2.877 -2.336 -4.837 174 HB2 LEU 23 HB2 LEU 23 -1.838 -0.006 -6.438 175 HB3 LEU 23 HB3 LEU 23 -0.935 -1.486 -6.257 176 HD11 LEU 23 HD11 LEU 23 -3.973 -0.237 -4.377 177 HD12 LEU 23 HD12 LEU 23 -5.052 -1.282 -5.302 178 HD13 LEU 23 HD13 LEU 23 -4.215 0.049 -6.100 179 HD21 LEU 23 HD21 LEU 23 -2.431 -3.106 -7.100 180 HD22 LEU 23 HD22 LEU 23 -3.339 -1.741 -7.753 181 HD23 LEU 23 HD23 LEU 23 -4.165 -2.977 -6.806 182 H VAL 24 H VAL 24 1.059 -1.110 -3.323 183 HA VAL 24 HA VAL 24 2.855 0.954 -4.065 184 HB VAL 24 HB VAL 24 3.505 -1.876 -3.208 185 HG11 VAL 24 HG11 VAL 24 5.408 -0.770 -4.241 186 HG12 VAL 24 HG12 VAL 24 5.659 -0.930 -2.502 187 HG13 VAL 24 HG13 VAL 24 5.190 0.627 -3.183 188 HG21 VAL 24 HG21 VAL 24 2.107 -0.752 -1.566 189 HG22 VAL 24 HG22 VAL 24 3.203 0.629 -1.559 190 HG23 VAL 24 HG23 VAL 24 3.753 -0.936 -0.960 191 H GLN 25 H GLN 25 3.291 1.362 -6.132 192 HA GLN 25 HA GLN 25 3.252 -0.757 -8.096 193 HB2 GLN 25 HB2 GLN 25 3.875 2.188 -8.306 194 HB3 GLN 25 HB3 GLN 25 3.902 1.091 -9.676 195 HG2 GLN 25 HG2 GLN 25 1.539 1.837 -7.973 196 HG3 GLN 25 HG3 GLN 25 1.811 2.231 -9.671 197 HE21 GLN 25 HE21 GLN 25 0.839 -0.188 -7.412 198 HE22 GLN 25 HE22 GLN 25 0.258 -1.351 -8.561 199 H ARG 26 H ARG 26 5.631 1.110 -6.383 200 HA ARG 26 HA ARG 26 7.690 -0.745 -6.933 201 HE ARG 26 HE ARG 26 8.751 4.911 -8.817 202 HB2 ARG 26 HB2 ARG 26 9.194 0.654 -8.216 203 HB3 ARG 26 HB3 ARG 26 7.684 0.482 -9.097 204 HG2 ARG 26 HG2 ARG 26 6.982 2.697 -8.303 205 HG3 ARG 26 HG3 ARG 26 8.529 2.871 -7.473 206 HD2 ARG 26 HD2 ARG 26 9.682 2.631 -9.645 207 HD3 ARG 26 HD3 ARG 26 8.113 2.558 -10.445 208 HH11 ARG 26 HH11 ARG 26 8.225 3.481 -11.972 209 HH12 ARG 26 HH12 ARG 26 8.130 5.018 -12.785 210 HH21 ARG 26 HH21 ARG 26 8.589 6.924 -9.880 211 HH22 ARG 26 HH22 ARG 26 8.309 6.970 -11.593 212 H VAL 27 H VAL 27 9.314 -0.528 -5.511 213 HA VAL 27 HA VAL 27 9.115 1.570 -3.504 214 HB VAL 27 HB VAL 27 10.937 -0.849 -3.594 215 HG11 VAL 27 HG11 VAL 27 11.874 0.943 -2.240 216 HG12 VAL 27 HG12 VAL 27 11.330 -0.386 -1.217 217 HG13 VAL 27 HG13 VAL 27 10.359 1.081 -1.349 218 HG21 VAL 27 HG21 VAL 27 9.438 -1.817 -1.924 219 HG22 VAL 27 HG22 VAL 27 8.576 -1.470 -3.423 220 HG23 VAL 27 HG23 VAL 27 8.393 -0.401 -2.034 221 H SER 28 H SER 28 10.607 3.174 -3.263 222 HA SER 28 HA SER 28 12.899 3.152 -5.109 223 HG SER 28 HG SER 28 11.130 3.666 -6.485 224 HB2 SER 28 HB2 SER 28 11.160 5.547 -4.455 225 HB3 SER 28 HB3 SER 28 12.570 5.547 -5.516 226 H ASP 29 H ASP 29 14.350 2.585 -3.585 227 HA ASP 29 HA ASP 29 15.929 2.859 -2.003 228 HB2 ASP 29 HB2 ASP 29 16.270 5.116 -2.830 229 HB3 ASP 29 HB3 ASP 29 14.920 5.692 -1.857 230 H GLY 30 H GLY 30 13.585 4.997 -0.699 231 HA2 GLY 30 HA2 GLY 30 12.900 3.083 1.406 232 HA3 GLY 30 HA3 GLY 30 13.485 4.674 1.875 233 H LYS 31 H LYS 31 11.780 4.731 -1.000 234 HA LYS 31 HA LYS 31 9.361 5.704 0.332 235 HB2 LYS 31 HB2 LYS 31 10.600 6.445 -2.334 236 HB3 LYS 31 HB3 LYS 31 9.107 7.096 -1.695 237 HG2 LYS 31 HG2 LYS 31 10.246 8.196 0.083 238 HG3 LYS 31 HG3 LYS 31 11.755 7.372 -0.316 239 HD2 LYS 31 HD2 LYS 31 10.317 9.320 -2.119 240 HD3 LYS 31 HD3 LYS 31 11.700 9.719 -1.098 241 HE2 LYS 31 HE2 LYS 31 13.039 8.032 -2.308 242 HE3 LYS 31 HE3 LYS 31 11.658 7.718 -3.358 243 HZ1 LYS 31 HZ1 LYS 31 13.204 9.228 -4.408 244 HZ2 LYS 31 HZ2 LYS 31 13.101 10.302 -3.102 245 HZ3 LYS 31 HZ3 LYS 31 11.744 10.031 -4.083 246 H ALA 32 H ALA 32 7.380 5.434 -1.065 247 HA ALA 32 HA ALA 32 7.540 3.109 -2.861 248 HB1 ALA 32 HB1 ALA 32 5.536 2.142 -1.870 249 HB2 ALA 32 HB2 ALA 32 5.486 3.438 -0.676 250 HB3 ALA 32 HB3 ALA 32 6.819 2.283 -0.669 251 H ALA 33 H ALA 33 6.385 3.331 -4.678 252 HA ALA 33 HA ALA 33 4.908 5.792 -5.079 253 HB1 ALA 33 HB1 ALA 33 5.450 3.502 -6.972 254 HB2 ALA 33 HB2 ALA 33 6.396 4.986 -6.843 255 HB3 ALA 33 HB3 ALA 33 4.727 5.049 -7.407 256 H VAL 34 H VAL 34 2.977 5.755 -4.084 257 HA VAL 34 HA VAL 34 1.446 3.279 -4.014 258 HB VAL 34 HB VAL 34 0.888 5.936 -2.675 259 HG11 VAL 34 HG11 VAL 34 -0.329 3.217 -2.202 260 HG12 VAL 34 HG12 VAL 34 -1.121 4.584 -2.990 261 HG13 VAL 34 HG13 VAL 34 -0.676 4.683 -1.286 262 HG21 VAL 34 HG21 VAL 34 2.137 3.418 -1.577 263 HG22 VAL 34 HG22 VAL 34 1.708 4.847 -0.636 264 HG23 VAL 34 HG23 VAL 34 2.961 4.951 -1.873 265 H LEU 35 H LEU 35 0.019 2.877 -5.529 266 HA LEU 35 HA LEU 35 -1.123 5.058 -7.094 267 HG LEU 35 HG LEU 35 -3.116 3.388 -8.667 268 HB2 LEU 35 HB2 LEU 35 -0.171 3.033 -8.189 269 HB3 LEU 35 HB3 LEU 35 -1.424 2.082 -7.431 270 HD11 LEU 35 HD11 LEU 35 -1.822 5.432 -9.004 271 HD12 LEU 35 HD12 LEU 35 -2.420 4.788 -10.533 272 HD13 LEU 35 HD13 LEU 35 -0.732 4.561 -10.082 273 HD21 LEU 35 HD21 LEU 35 -2.692 2.355 -10.840 274 HD22 LEU 35 HD22 LEU 35 -2.347 1.245 -9.515 275 HD23 LEU 35 HD23 LEU 35 -1.024 2.044 -10.362 276 H PHE 36 H PHE 36 -3.023 5.868 -6.577 277 HA PHE 36 HA PHE 36 -4.926 4.254 -5.030 278 HD1 PHE 36 HD2 PHE 36 -5.370 5.390 -2.500 279 HD2 PHE 36 HD1 PHE 36 -2.939 8.003 -4.820 280 HE1 PHE 36 HE2 PHE 36 -3.973 5.835 -0.525 281 HE2 PHE 36 HE1 PHE 36 -1.535 8.453 -2.850 282 HZ PHE 36 HZ PHE 36 -2.051 7.369 -0.701 283 HB2 PHE 36 HB2 PHE 36 -4.974 7.213 -5.687 284 HB3 PHE 36 HB3 PHE 36 -6.137 6.376 -4.673 285 H GLU 37 H GLU 37 -7.070 3.945 -5.805 286 HA GLU 37 HA GLU 37 -7.380 4.518 -8.673 287 HB2 GLU 37 HB2 GLU 37 -6.636 2.159 -8.241 288 HB3 GLU 37 HB3 GLU 37 -8.152 1.897 -7.389 289 HG2 GLU 37 HG2 GLU 37 -9.409 2.327 -9.399 290 HG3 GLU 37 HG3 GLU 37 -7.933 2.747 -10.266 291 H ASN 38 H ASN 38 -9.157 3.305 -5.828 292 HA ASN 38 HA ASN 38 -11.286 3.578 -5.102 293 HB2 ASN 38 HB2 ASN 38 -10.924 5.919 -4.966 294 HB3 ASN 38 HB3 ASN 38 -11.014 6.117 -6.711 295 HD21 ASN 38 HD21 ASN 38 -12.863 5.475 -3.804 296 HD22 ASN 38 HD22 ASN 38 -14.401 5.947 -4.452 297 H GLY 39 H GLY 39 -11.461 4.722 -8.488 298 HA2 GLY 39 HA2 GLY 39 -12.858 2.400 -9.376 299 HA3 GLY 39 HA3 GLY 39 -13.964 3.744 -9.115 300 H ASN 40 H ASN 40 -11.435 2.445 -11.064 301 HA ASN 40 HA ASN 40 -10.708 2.883 -13.169 302 HB2 ASN 40 HB2 ASN 40 -12.948 3.285 -13.911 303 HB3 ASN 40 HB3 ASN 40 -12.973 4.880 -13.176 304 HD21 ASN 40 HD21 ASN 40 -12.180 6.588 -14.266 305 HD22 ASN 40 HD22 ASN 40 -11.549 6.510 -15.879 306 H TRP 41 H TRP 41 -11.259 5.690 -11.153 307 HA TRP 41 HA TRP 41 -9.409 7.473 -12.220 308 HD1 TRP 41 HD1 TRP 41 -9.043 10.163 -11.252 309 HE1 TRP 41 HE1 TRP 41 -7.536 11.463 -9.613 310 HE3 TRP 41 HE3 TRP 41 -9.237 6.959 -7.250 311 HZ2 TRP 41 HZ2 TRP 41 -6.580 11.172 -6.978 312 HZ3 TRP 41 HZ3 TRP 41 -7.999 7.560 -5.211 313 HH2 TRP 41 HH2 TRP 41 -6.696 9.619 -5.080 314 HB2 TRP 41 HB2 TRP 41 -10.985 8.174 -10.557 315 HB3 TRP 41 HB3 TRP 41 -10.375 7.011 -9.394 316 H ASP 42 H ASP 42 -7.271 8.017 -11.522 317 HA ASP 42 HA ASP 42 -5.810 6.052 -9.959 318 HB2 ASP 42 HB2 ASP 42 -4.164 5.522 -11.572 319 HB3 ASP 42 HB3 ASP 42 -5.696 5.338 -12.409 320 H LYS 43 H LYS 43 -3.812 6.791 -9.229 321 HA LYS 43 HA LYS 43 -2.719 9.317 -9.894 322 HB2 LYS 43 HB2 LYS 43 -4.759 10.008 -8.587 323 HB3 LYS 43 HB3 LYS 43 -4.077 9.183 -7.193 324 HG2 LYS 43 HG2 LYS 43 -2.193 10.692 -7.171 325 HG3 LYS 43 HG3 LYS 43 -2.771 11.474 -8.645 326 HD2 LYS 43 HD2 LYS 43 -4.805 12.170 -7.472 327 HD3 LYS 43 HD3 LYS 43 -4.217 11.394 -6.001 328 HE2 LYS 43 HE2 LYS 43 -3.803 13.770 -5.884 329 HE3 LYS 43 HE3 LYS 43 -2.275 12.904 -6.006 330 HZ1 LYS 43 HZ1 LYS 43 -2.546 14.959 -7.424 331 HZ2 LYS 43 HZ2 LYS 43 -3.613 14.056 -8.384 332 HZ3 LYS 43 HZ3 LYS 43 -2.001 13.565 -8.220 333 H LEU 44 H LEU 44 -0.665 8.741 -9.774 334 HA LEU 44 HA LEU 44 0.185 6.809 -7.766 335 HG LEU 44 HG LEU 44 3.163 7.009 -8.234 336 HB2 LEU 44 HB2 LEU 44 0.876 6.578 -10.152 337 HB3 LEU 44 HB3 LEU 44 1.767 8.080 -10.003 338 HD11 LEU 44 HD11 LEU 44 1.582 5.307 -7.533 339 HD12 LEU 44 HD12 LEU 44 3.110 4.582 -8.035 340 HD13 LEU 44 HD13 LEU 44 1.712 4.521 -9.109 341 HD21 LEU 44 HD21 LEU 44 4.486 5.658 -9.792 342 HD22 LEU 44 HD22 LEU 44 3.941 7.158 -10.545 343 HD23 LEU 44 HD23 LEU 44 3.133 5.637 -10.926 344 H VAL 45 H VAL 45 0.583 7.683 -5.829 345 HA VAL 45 HA VAL 45 2.181 10.161 -5.768 346 HB VAL 45 HB VAL 45 0.275 9.251 -3.607 347 HG11 VAL 45 HG11 VAL 45 0.595 11.543 -2.754 348 HG12 VAL 45 HG12 VAL 45 1.770 11.839 -4.036 349 HG13 VAL 45 HG13 VAL 45 2.102 10.628 -2.799 350 HG21 VAL 45 HG21 VAL 45 -0.126 11.360 -5.731 351 HG22 VAL 45 HG22 VAL 45 -1.203 11.062 -4.366 352 HG23 VAL 45 HG23 VAL 45 -0.988 9.825 -5.604 353 H THR 46 H THR 46 4.180 9.804 -5.111 354 HA THR 46 HA THR 46 4.906 7.372 -3.766 355 HB THR 46 HB THR 46 6.721 9.731 -4.105 356 HG1 THR 46 HG1 THR 46 5.793 9.468 -6.140 357 HG21 THR 46 HG21 THR 46 8.422 8.001 -4.418 358 HG22 THR 46 HG22 THR 46 7.188 6.754 -4.244 359 HG23 THR 46 HG23 THR 46 7.581 7.802 -2.881 360 H PHE 47 H PHE 47 5.131 7.070 -1.684 361 HA PHE 47 HA PHE 47 5.311 9.386 0.126 362 HD1 PHE 47 HD1 PHE 47 3.231 10.377 1.460 363 HD2 PHE 47 HD2 PHE 47 1.867 7.003 -0.745 364 HE1 PHE 47 HE1 PHE 47 1.168 11.589 0.894 365 HE2 PHE 47 HE2 PHE 47 -0.200 8.211 -1.319 366 HZ PHE 47 HZ PHE 47 -0.553 10.508 -0.497 367 HB2 PHE 47 HB2 PHE 47 3.769 6.819 0.560 368 HB3 PHE 47 HB3 PHE 47 4.096 7.991 1.826 369 H ARG 48 H ARG 48 6.056 8.457 2.393 370 HA ARG 48 HA ARG 48 8.474 6.913 1.872 371 HE ARG 48 HE ARG 48 10.739 11.189 1.972 372 HB2 ARG 48 HB2 ARG 48 7.572 8.067 4.517 373 HB3 ARG 48 HB3 ARG 48 9.188 7.550 4.068 374 HG2 ARG 48 HG2 ARG 48 7.701 9.952 3.029 375 HG3 ARG 48 HG3 ARG 48 9.107 9.946 4.097 376 HD2 ARG 48 HD2 ARG 48 10.445 8.935 2.308 377 HD3 ARG 48 HD3 ARG 48 9.038 8.964 1.245 378 HH11 ARG 48 HH11 ARG 48 7.596 10.261 0.741 379 HH12 ARG 48 HH12 ARG 48 7.349 11.745 -0.131 380 HH21 ARG 48 HH21 ARG 48 10.438 13.127 0.827 381 HH22 ARG 48 HH22 ARG 48 8.965 13.387 -0.065 382 H LEU 49 H LEU 49 8.991 5.144 3.478 383 HA LEU 49 HA LEU 49 6.783 3.292 3.432 384 HG LEU 49 HG LEU 49 9.596 3.227 1.993 385 HB2 LEU 49 HB2 LEU 49 9.618 2.950 4.417 386 HB3 LEU 49 HB3 LEU 49 8.437 1.661 4.299 387 HD11 LEU 49 HD11 LEU 49 10.613 1.096 1.377 388 HD12 LEU 49 HD12 LEU 49 9.941 0.350 2.826 389 HD13 LEU 49 HD13 LEU 49 11.152 1.624 2.972 390 HD21 LEU 49 HD21 LEU 49 8.352 1.708 0.560 391 HD22 LEU 49 HD22 LEU 49 7.256 2.618 1.601 392 HD23 LEU 49 HD23 LEU 49 7.635 0.938 1.977 393 H SER 50 H SER 50 8.370 5.335 5.682 394 HA SER 50 HA SER 50 7.341 4.123 8.057 395 HG SER 50 HG SER 50 7.923 7.756 7.291 396 HB2 SER 50 HB2 SER 50 7.945 6.419 9.032 397 HB3 SER 50 HB3 SER 50 9.267 5.488 8.328 398 H GLU 51 H GLU 51 6.025 5.961 5.549 399 HA GLU 51 HA GLU 51 3.962 7.201 7.226 400 HB2 GLU 51 HB2 GLU 51 4.134 7.311 4.218 401 HB3 GLU 51 HB3 GLU 51 3.307 8.424 5.299 402 HG2 GLU 51 HG2 GLU 51 6.273 8.096 4.942 403 HG3 GLU 51 HG3 GLU 51 5.282 9.473 4.468 404 H LEU 52 H LEU 52 4.466 4.331 5.603 405 HA LEU 52 HA LEU 52 1.596 3.899 5.140 406 HG LEU 52 HG LEU 52 3.609 4.951 3.039 407 HB2 LEU 52 HB2 LEU 52 3.964 2.595 3.798 408 HB3 LEU 52 HB3 LEU 52 2.281 2.276 3.443 409 HD11 LEU 52 HD11 LEU 52 3.021 2.780 1.037 410 HD12 LEU 52 HD12 LEU 52 4.618 3.302 1.577 411 HD13 LEU 52 HD13 LEU 52 3.593 4.404 0.657 412 HD21 LEU 52 HD21 LEU 52 1.194 5.066 3.368 413 HD22 LEU 52 HD22 LEU 52 0.957 3.871 2.092 414 HD23 LEU 52 HD23 LEU 52 1.630 5.454 1.704 415 H GLU 53 H GLU 53 0.822 1.730 5.487 416 HA GLU 53 HA GLU 53 2.543 0.075 7.203 417 HB2 GLU 53 HB2 GLU 53 0.497 -0.700 8.367 418 HB3 GLU 53 HB3 GLU 53 0.803 1.014 8.599 419 HG2 GLU 53 HG2 GLU 53 -0.867 1.515 6.856 420 HG3 GLU 53 HG3 GLU 53 -1.205 -0.209 6.721 421 H ALA 54 H ALA 54 2.846 -1.944 6.522 422 HA ALA 54 HA ALA 54 1.694 -2.696 3.985 423 HB1 ALA 54 HB1 ALA 54 4.048 -3.146 4.436 424 HB2 ALA 54 HB2 ALA 54 3.167 -4.642 4.129 425 HB3 ALA 54 HB3 ALA 54 3.600 -4.199 5.780 426 H VAL 55 H VAL 55 -0.315 -3.429 3.966 427 HA VAL 55 HA VAL 55 -1.490 -4.908 6.118 428 HB VAL 55 HB VAL 55 -2.602 -4.917 3.328 429 HG11 VAL 55 HG11 VAL 55 -3.799 -6.184 5.011 430 HG12 VAL 55 HG12 VAL 55 -4.750 -4.788 4.507 431 HG13 VAL 55 HG13 VAL 55 -3.892 -4.759 6.047 432 HG21 VAL 55 HG21 VAL 55 -1.917 -2.610 3.682 433 HG22 VAL 55 HG22 VAL 55 -2.746 -2.586 5.239 434 HG23 VAL 55 HG23 VAL 55 -3.675 -2.741 3.747 435 H LYS 56 H LYS 56 -2.587 -7.121 5.453 436 HA LYS 56 HA LYS 56 -0.486 -8.935 5.036 437 HB2 LYS 56 HB2 LYS 56 -2.227 -10.655 5.045 438 HB3 LYS 56 HB3 LYS 56 -2.441 -9.511 6.356 439 HG2 LYS 56 HG2 LYS 56 -4.157 -8.357 4.955 440 HG3 LYS 56 HG3 LYS 56 -4.016 -9.685 3.802 441 HD2 LYS 56 HD2 LYS 56 -4.573 -11.256 5.672 442 HD3 LYS 56 HD3 LYS 56 -4.914 -9.844 6.675 443 HE2 LYS 56 HE2 LYS 56 -6.992 -10.588 5.800 444 HE3 LYS 56 HE3 LYS 56 -6.557 -9.122 4.920 445 HZ1 LYS 56 HZ1 LYS 56 -6.278 -11.923 3.963 446 HZ2 LYS 56 HZ2 LYS 56 -5.672 -10.570 3.132 447 HZ3 LYS 56 HZ3 LYS 56 -7.341 -10.739 3.368 448 HA PRO 57 HA PRO 57 -0.294 -8.956 0.615 449 HB2 PRO 57 HB2 PRO 57 1.126 -11.496 0.828 450 HB3 PRO 57 HB3 PRO 57 1.737 -9.918 0.326 451 HG2 PRO 57 HG2 PRO 57 2.465 -11.088 2.654 452 HG3 PRO 57 HG3 PRO 57 2.350 -9.330 2.462 453 HD2 PRO 57 HD2 PRO 57 0.401 -11.228 3.720 454 HD3 PRO 57 HD3 PRO 57 0.921 -9.618 4.268 455 H ILE 58 H ILE 58 -0.378 -10.881 -1.134 456 HA ILE 58 HA ILE 58 -2.974 -12.102 -0.805 457 HB ILE 58 HB ILE 58 -1.084 -12.715 -3.060 458 HG12 ILE 58 HG12 ILE 58 -2.942 -10.328 -2.890 459 HG13 ILE 58 HG13 ILE 58 -1.189 -10.241 -2.767 460 HG21 ILE 58 HG21 ILE 58 -3.182 -12.943 -4.331 461 HG22 ILE 58 HG22 ILE 58 -4.090 -12.592 -2.859 462 HG23 ILE 58 HG23 ILE 58 -3.097 -14.046 -2.959 463 HD11 ILE 58 HD11 ILE 58 -2.739 -11.177 -5.173 464 HD12 ILE 58 HD12 ILE 58 -0.983 -11.062 -5.049 465 HD13 ILE 58 HD13 ILE 58 -1.970 -9.602 -4.977 466 H LEU 59 H LEU 59 -3.330 -14.395 -0.983 467 HA LEU 59 HA LEU 59 -1.309 -15.790 0.588 468 HG LEU 59 HG LEU 59 -4.783 -15.448 -0.538 469 HB2 LEU 59 HB2 LEU 59 -3.150 -17.453 0.986 470 HB3 LEU 59 HB3 LEU 59 -3.411 -15.849 1.636 471 HD11 LEU 59 HD11 LEU 59 -4.844 -18.459 -0.397 472 HD12 LEU 59 HD12 LEU 59 -4.117 -17.500 -1.687 473 HD13 LEU 59 HD13 LEU 59 -5.860 -17.443 -1.421 474 HD21 LEU 59 HD21 LEU 59 -5.768 -17.257 1.665 475 HD22 LEU 59 HD22 LEU 59 -6.788 -16.325 0.568 476 HD23 LEU 59 HD23 LEU 59 -5.724 -15.495 1.702 477 H GLU 60 H GLU 60 -0.585 -17.864 0.112 478 HA GLU 60 HA GLU 60 -0.504 -18.466 -2.730 479 HB2 GLU 60 HB2 GLU 60 1.534 -18.403 -1.165 480 HB3 GLU 60 HB3 GLU 60 0.938 -19.922 -0.519 481 HG2 GLU 60 HG2 GLU 60 1.576 -19.508 -3.429 482 HG3 GLU 60 HG3 GLU 60 2.750 -20.086 -2.251 483 H HIS 61 H HIS 61 -0.514 -20.656 -0.012 484 HA HIS 61 HA HIS 61 -3.140 -21.694 -0.583 485 HD1 HIS 61 HD1 HIS 61 -0.753 -22.719 -3.736 486 HD2 HIS 61 HD2 HIS 61 -4.427 -23.907 -2.182 487 HE1 HIS 61 HE1 HIS 61 -2.264 -23.040 -5.723 488 HE2 HIS 61 HE2 HIS 61 -4.415 -23.952 -4.766 489 HB2 HIS 61 HB2 HIS 61 -0.654 -23.199 -1.291 490 HB3 HIS 61 HB3 HIS 61 -1.997 -24.098 -0.593 491 H HIS 62 H HIS 62 -3.496 -23.683 0.963 492 HA HIS 62 HA HIS 62 -2.654 -22.773 3.582 493 HD1 HIS 62 HD1 HIS 62 -6.290 -23.161 1.799 494 HD2 HIS 62 HD2 HIS 62 -4.928 -22.360 5.640 495 HE1 HIS 62 HE1 HIS 62 -7.765 -21.324 2.669 496 HE2 HIS 62 HE2 HIS 62 -6.753 -20.691 4.888 497 HB2 HIS 62 HB2 HIS 62 -4.602 -24.864 2.639 498 HB3 HIS 62 HB3 HIS 62 -4.118 -24.759 4.330 499 H HIS 63 H HIS 63 -0.649 -23.267 4.097 500 HA HIS 63 HA HIS 63 0.362 -25.983 3.585 501 HD1 HIS 63 HD1 HIS 63 4.104 -24.658 2.360 502 HD2 HIS 63 HD2 HIS 63 0.209 -23.511 1.467 503 HE1 HIS 63 HE1 HIS 63 4.092 -24.173 -0.107 504 HE2 HIS 63 HE2 HIS 63 1.786 -23.259 -0.575 505 HB2 HIS 63 HB2 HIS 63 1.753 -23.401 4.342 506 HB3 HIS 63 HB3 HIS 63 2.570 -24.957 4.295 507 H HIS 64 H HIS 64 1.112 -27.268 5.312 508 HA HIS 64 HA HIS 64 -0.009 -26.684 7.869 509 HD1 HIS 64 HD1 HIS 64 1.966 -29.274 5.038 510 HD2 HIS 64 HD2 HIS 64 3.673 -29.361 8.827 511 HE1 HIS 64 HE1 HIS 64 4.227 -30.330 4.738 512 HE2 HIS 64 HE2 HIS 64 5.122 -30.598 7.081 513 HB2 HIS 64 HB2 HIS 64 1.033 -28.725 8.660 514 HB3 HIS 64 HB3 HIS 64 0.280 -29.009 7.102 515 H HIS 65 H HIS 65 0.737 -25.355 9.318 516 HA HIS 65 HA HIS 65 3.120 -23.900 8.727 517 HD1 HIS 65 HD1 HIS 65 2.504 -22.442 12.910 518 HD2 HIS 65 HD2 HIS 65 -0.270 -25.110 11.327 519 HE1 HIS 65 HE1 HIS 65 1.303 -23.436 14.886 520 HE2 HIS 65 HE2 HIS 65 -0.217 -25.189 13.907 521 HB2 HIS 65 HB2 HIS 65 2.470 -22.388 10.424 522 HB3 HIS 65 HB3 HIS 65 0.974 -22.940 9.684 523 H HIS 66 H HIS 66 4.782 -23.394 10.283 524 HA HIS 66 HA HIS 66 5.447 -25.687 12.008 525 HD1 HIS 66 HD1 HIS 66 7.735 -24.326 8.320 526 HD2 HIS 66 HD2 HIS 66 6.721 -27.636 10.633 527 HE1 HIS 66 HE1 HIS 66 7.771 -26.292 6.750 528 HE2 HIS 66 HE2 HIS 66 7.307 -28.300 8.197 529 HB2 HIS 66 HB2 HIS 66 7.304 -23.706 10.663 530 HB3 HIS 66 HB3 HIS 66 7.816 -24.981 11.764 Start of MODEL 3 1 HA MET 1 HA MET 1 9.324 -5.281 5.269 2 H1 MET 1 H1 MET 1 7.206 -7.253 5.882 3 H2 MET 1 H2 MET 1 7.478 -5.773 6.658 4 H3 MET 1 H3 MET 1 8.613 -7.025 6.800 5 HB2 MET 1 HB2 MET 1 9.958 -6.772 3.420 6 HB3 MET 1 HB3 MET 1 10.189 -7.542 4.982 7 HG2 MET 1 HG2 MET 1 8.181 -8.839 4.690 8 HG3 MET 1 HG3 MET 1 7.816 -7.996 3.187 9 HE1 MET 1 HE1 MET 1 9.226 -8.246 0.966 10 HE2 MET 1 HE2 MET 1 10.673 -9.243 0.827 11 HE3 MET 1 HE3 MET 1 10.697 -7.790 1.826 12 H ILE 2 H ILE 2 8.787 -3.824 3.781 13 HA ILE 2 HA ILE 2 6.234 -4.114 2.364 14 HB ILE 2 HB ILE 2 8.088 -1.729 2.402 15 HG12 ILE 2 HG12 ILE 2 5.621 -2.246 4.079 16 HG13 ILE 2 HG13 ILE 2 7.275 -2.255 4.676 17 HG21 ILE 2 HG21 ILE 2 6.120 -0.494 1.625 18 HG22 ILE 2 HG22 ILE 2 5.204 -2.001 1.572 19 HG23 ILE 2 HG23 ILE 2 6.587 -1.769 0.501 20 HD11 ILE 2 HD11 ILE 2 6.149 -0.187 5.240 21 HD12 ILE 2 HD12 ILE 2 5.820 0.118 3.534 22 HD13 ILE 2 HD13 ILE 2 7.482 0.112 4.125 23 H PHE 3 H PHE 3 6.133 -4.293 0.161 24 HA PHE 3 HA PHE 3 8.578 -4.316 -1.409 25 HD1 PHE 3 HD2 PHE 3 10.537 -6.260 -1.351 26 HD2 PHE 3 HD1 PHE 3 7.086 -7.619 -3.439 27 HE1 PHE 3 HE2 PHE 3 11.975 -7.158 -3.134 28 HE2 PHE 3 HE1 PHE 3 8.517 -8.524 -5.225 29 HZ PHE 3 HZ PHE 3 10.967 -8.292 -5.075 30 HB2 PHE 3 HB2 PHE 3 8.301 -6.579 -0.238 31 HB3 PHE 3 HB3 PHE 3 6.880 -6.815 -1.245 32 HA PRO 4 HA PRO 4 5.799 -2.872 -4.604 33 HB2 PRO 4 HB2 PRO 4 7.478 -4.578 -6.377 34 HB3 PRO 4 HB3 PRO 4 7.039 -2.875 -6.546 35 HG2 PRO 4 HG2 PRO 4 9.484 -3.580 -5.762 36 HG3 PRO 4 HG3 PRO 4 8.670 -2.171 -5.054 37 HD2 PRO 4 HD2 PRO 4 9.106 -4.891 -3.906 38 HD3 PRO 4 HD3 PRO 4 9.100 -3.311 -3.096 39 H GLY 5 H GLY 5 3.876 -3.638 -5.240 40 HA2 GLY 5 HA2 GLY 5 2.502 -5.282 -6.320 41 HA3 GLY 5 HA3 GLY 5 3.592 -6.529 -5.727 42 H ALA 6 H ALA 6 3.481 -4.769 -3.115 43 HA ALA 6 HA ALA 6 1.254 -6.293 -1.995 44 HB1 ALA 6 HB1 ALA 6 2.198 -5.720 0.187 45 HB2 ALA 6 HB2 ALA 6 3.406 -4.703 -0.598 46 HB3 ALA 6 HB3 ALA 6 3.419 -6.448 -0.857 47 H THR 7 H THR 7 -0.105 -5.200 -0.350 48 HA THR 7 HA THR 7 -0.963 -2.589 -1.345 49 HB THR 7 HB THR 7 -2.389 -4.356 0.648 50 HG1 THR 7 HG1 THR 7 -3.660 -4.757 -1.477 51 HG21 THR 7 HG21 THR 7 -3.377 -2.170 -1.194 52 HG22 THR 7 HG22 THR 7 -3.146 -2.022 0.548 53 HG23 THR 7 HG23 THR 7 -4.374 -3.115 -0.089 54 H VAL 8 H VAL 8 -0.825 -0.764 -0.114 55 HA VAL 8 HA VAL 8 0.038 -1.096 2.681 56 HB VAL 8 HB VAL 8 1.341 1.033 2.431 57 HG11 VAL 8 HG11 VAL 8 2.226 -1.322 0.771 58 HG12 VAL 8 HG12 VAL 8 2.448 -1.132 2.510 59 HG13 VAL 8 HG13 VAL 8 3.281 -0.053 1.390 60 HG21 VAL 8 HG21 VAL 8 2.047 1.692 0.178 61 HG22 VAL 8 HG22 VAL 8 0.304 1.865 0.386 62 HG23 VAL 8 HG23 VAL 8 0.956 0.492 -0.511 63 H ARG 9 H ARG 9 -0.650 0.450 4.145 64 HA ARG 9 HA ARG 9 -3.031 1.925 3.257 65 HE ARG 9 HE ARG 9 -5.592 2.763 8.083 66 HB2 ARG 9 HB2 ARG 9 -3.355 0.198 4.992 67 HB3 ARG 9 HB3 ARG 9 -2.191 1.020 6.017 68 HG2 ARG 9 HG2 ARG 9 -3.643 2.878 6.317 69 HG3 ARG 9 HG3 ARG 9 -4.753 2.281 5.077 70 HD2 ARG 9 HD2 ARG 9 -5.257 0.333 6.439 71 HD3 ARG 9 HD3 ARG 9 -4.105 0.867 7.660 72 HH11 ARG 9 HH11 ARG 9 -6.910 0.075 6.246 73 HH12 ARG 9 HH12 ARG 9 -8.544 0.351 6.795 74 HH21 ARG 9 HH21 ARG 9 -7.715 3.113 8.800 75 HH22 ARG 9 HH22 ARG 9 -9.003 2.082 8.253 76 H VAL 10 H VAL 10 -2.881 4.075 3.131 77 HA VAL 10 HA VAL 10 -0.478 5.417 3.882 78 HB VAL 10 HB VAL 10 -3.109 6.665 3.063 79 HG11 VAL 10 HG11 VAL 10 -0.289 7.743 2.981 80 HG12 VAL 10 HG12 VAL 10 -1.554 8.234 4.108 81 HG13 VAL 10 HG13 VAL 10 -1.730 8.571 2.386 82 HG21 VAL 10 HG21 VAL 10 -0.771 5.804 1.361 83 HG22 VAL 10 HG22 VAL 10 -2.161 6.730 0.794 84 HG23 VAL 10 HG23 VAL 10 -2.377 5.077 1.374 85 H THR 11 H THR 11 -0.036 5.624 5.965 86 HA THR 11 HA THR 11 -2.204 6.386 7.790 87 HB THR 11 HB THR 11 -0.551 5.541 9.568 88 HG1 THR 11 HG1 THR 11 1.013 5.294 7.503 89 HG21 THR 11 HG21 THR 11 -1.790 3.629 7.588 90 HG22 THR 11 HG22 THR 11 -2.593 4.360 8.979 91 HG23 THR 11 HG23 THR 11 -1.276 3.211 9.222 92 H ASN 12 H ASN 12 -0.430 8.133 6.079 93 HA ASN 12 HA ASN 12 1.125 9.673 7.927 94 HB2 ASN 12 HB2 ASN 12 1.472 9.684 5.427 95 HB3 ASN 12 HB3 ASN 12 -0.036 10.577 5.275 96 HD21 ASN 12 HD21 ASN 12 2.572 11.419 4.443 97 HD22 ASN 12 HD22 ASN 12 2.937 12.870 5.311 98 H VAL 13 H VAL 13 0.152 10.613 9.599 99 HA VAL 13 HA VAL 13 -2.625 11.103 9.740 100 HB VAL 13 HB VAL 13 -0.484 12.279 11.510 101 HG11 VAL 13 HG11 VAL 13 -2.685 13.266 11.830 102 HG12 VAL 13 HG12 VAL 13 -2.219 12.291 13.223 103 HG13 VAL 13 HG13 VAL 13 -3.380 11.662 12.055 104 HG21 VAL 13 HG21 VAL 13 -0.206 9.858 11.308 105 HG22 VAL 13 HG22 VAL 13 -1.894 9.626 11.767 106 HG23 VAL 13 HG23 VAL 13 -0.751 10.312 12.922 107 H ASP 14 H ASP 14 0.013 13.024 8.627 108 HA ASP 14 HA ASP 14 -1.408 15.538 8.884 109 HB2 ASP 14 HB2 ASP 14 0.960 15.580 9.298 110 HB3 ASP 14 HB3 ASP 14 1.298 14.814 7.752 111 H ASP 15 H ASP 15 -1.003 13.062 6.534 112 HA ASP 15 HA ASP 15 -1.539 14.848 4.294 113 HB2 ASP 15 HB2 ASP 15 0.149 12.972 4.149 114 HB3 ASP 15 HB3 ASP 15 -1.204 11.846 4.215 115 H THR 16 H THR 16 -3.271 14.397 2.778 116 HA THR 16 HA THR 16 -5.738 13.991 4.197 117 HB THR 16 HB THR 16 -5.241 14.626 1.282 118 HG1 THR 16 HG1 THR 16 -4.941 16.100 3.472 119 HG21 THR 16 HG21 THR 16 -7.469 13.653 1.631 120 HG22 THR 16 HG22 THR 16 -7.577 15.369 1.242 121 HG23 THR 16 HG23 THR 16 -7.786 14.832 2.908 122 H TYR 17 H TYR 17 -3.710 12.066 2.136 123 HA TYR 17 HA TYR 17 -5.804 10.282 1.302 124 HD1 TYR 17 HD1 TYR 17 -5.548 9.398 -1.269 125 HD2 TYR 17 HD2 TYR 17 -2.325 11.977 -0.247 126 HE1 TYR 17 HE1 TYR 17 -5.785 10.541 -3.432 127 HE2 TYR 17 HE2 TYR 17 -2.555 13.129 -2.408 128 HH TYR 17 HH TYR 17 -5.244 12.809 -4.381 129 HB2 TYR 17 HB2 TYR 17 -2.797 10.118 1.118 130 HB3 TYR 17 HB3 TYR 17 -3.855 8.833 0.546 131 H TYR 18 H TYR 18 -4.916 10.813 4.205 132 HA TYR 18 HA TYR 18 -4.237 8.259 5.267 133 HD1 TYR 18 HD2 TYR 18 -3.239 7.876 7.669 134 HD2 TYR 18 HD1 TYR 18 -6.566 10.411 8.450 135 HE1 TYR 18 HE2 TYR 18 -3.575 6.764 9.841 136 HE2 TYR 18 HE1 TYR 18 -6.908 9.315 10.622 137 HH TYR 18 HH TYR 18 -4.615 7.374 12.083 138 HB2 TYR 18 HB2 TYR 18 -3.658 10.241 6.521 139 HB3 TYR 18 HB3 TYR 18 -5.332 10.775 6.545 140 H ARG 19 H ARG 19 -5.800 7.019 4.110 141 HA ARG 19 HA ARG 19 -7.845 5.970 5.565 142 HE ARG 19 HE ARG 19 -10.610 9.193 1.135 143 HB2 ARG 19 HB2 ARG 19 -9.911 6.811 4.632 144 HB3 ARG 19 HB3 ARG 19 -9.016 8.150 5.329 145 HG2 ARG 19 HG2 ARG 19 -8.261 8.778 3.063 146 HG3 ARG 19 HG3 ARG 19 -9.253 7.475 2.402 147 HD2 ARG 19 HD2 ARG 19 -11.235 8.515 3.474 148 HD3 ARG 19 HD3 ARG 19 -10.215 9.859 3.979 149 HH11 ARG 19 HH11 ARG 19 -10.471 11.492 3.754 150 HH12 ARG 19 HH12 ARG 19 -10.936 12.845 2.768 151 HH21 ARG 19 HH21 ARG 19 -11.209 10.988 -0.196 152 HH22 ARG 19 HH22 ARG 19 -11.358 12.561 0.538 153 H PHE 20 H PHE 20 -6.327 6.641 2.582 154 HA PHE 20 HA PHE 20 -7.737 4.555 1.146 155 HD1 PHE 20 HD2 PHE 20 -8.669 5.503 -1.326 156 HD2 PHE 20 HD1 PHE 20 -6.397 8.499 0.667 157 HE1 PHE 20 HE2 PHE 20 -10.328 7.194 -1.986 158 HE2 PHE 20 HE1 PHE 20 -8.052 10.196 0.008 159 HZ PHE 20 HZ PHE 20 -10.018 9.546 -1.321 160 HB2 PHE 20 HB2 PHE 20 -5.474 6.363 0.308 161 HB3 PHE 20 HB3 PHE 20 -6.259 5.196 -0.735 162 H GLU 21 H GLU 21 -6.831 2.710 0.383 163 HA GLU 21 HA GLU 21 -4.140 2.002 1.331 164 HB2 GLU 21 HB2 GLU 21 -6.498 0.111 1.088 165 HB3 GLU 21 HB3 GLU 21 -4.894 -0.277 1.699 166 HG2 GLU 21 HG2 GLU 21 -5.232 1.167 3.609 167 HG3 GLU 21 HG3 GLU 21 -6.801 1.668 2.982 168 H GLY 22 H GLY 22 -2.818 1.591 -0.351 169 HA2 GLY 22 HA2 GLY 22 -4.107 0.952 -2.930 170 HA3 GLY 22 HA3 GLY 22 -2.917 2.236 -2.801 171 H LEU 23 H LEU 23 -2.298 0.531 -4.639 172 HA LEU 23 HA LEU 23 -0.730 -1.655 -3.545 173 HG LEU 23 HG LEU 23 -3.341 -1.773 -5.228 174 HB2 LEU 23 HB2 LEU 23 -1.386 -0.842 -6.372 175 HB3 LEU 23 HB3 LEU 23 -0.453 -2.250 -5.932 176 HD11 LEU 23 HD11 LEU 23 -2.984 -2.250 -7.597 177 HD12 LEU 23 HD12 LEU 23 -3.800 -3.583 -6.781 178 HD13 LEU 23 HD13 LEU 23 -2.084 -3.705 -7.165 179 HD21 LEU 23 HD21 LEU 23 -2.205 -3.057 -3.502 180 HD22 LEU 23 HD22 LEU 23 -1.571 -4.162 -4.722 181 HD23 LEU 23 HD23 LEU 23 -3.308 -4.084 -4.418 182 H VAL 24 H VAL 24 1.467 -1.754 -3.627 183 HA VAL 24 HA VAL 24 2.914 0.705 -4.171 184 HB VAL 24 HB VAL 24 3.958 -2.001 -3.301 185 HG11 VAL 24 HG11 VAL 24 5.977 -0.800 -2.644 186 HG12 VAL 24 HG12 VAL 24 5.291 0.708 -3.248 187 HG13 VAL 24 HG13 VAL 24 5.664 -0.600 -4.368 188 HG21 VAL 24 HG21 VAL 24 3.277 0.452 -1.685 189 HG22 VAL 24 HG22 VAL 24 4.103 -0.977 -1.063 190 HG23 VAL 24 HG23 VAL 24 2.443 -1.101 -1.647 191 H GLN 25 H GLN 25 3.556 1.196 -6.162 192 HA GLN 25 HA GLN 25 3.862 -0.807 -8.212 193 HB2 GLN 25 HB2 GLN 25 4.442 2.145 -8.110 194 HB3 GLN 25 HB3 GLN 25 4.920 1.168 -9.488 195 HG2 GLN 25 HG2 GLN 25 2.843 2.268 -9.956 196 HG3 GLN 25 HG3 GLN 25 2.580 0.530 -9.829 197 HE21 GLN 25 HE21 GLN 25 1.320 -0.277 -8.202 198 HE22 GLN 25 HE22 GLN 25 0.403 0.728 -7.133 199 H ARG 26 H ARG 26 5.982 0.974 -6.074 200 HA ARG 26 HA ARG 26 8.126 -0.820 -6.381 201 HE ARG 26 HE ARG 26 9.279 0.978 -10.111 202 HB2 ARG 26 HB2 ARG 26 9.756 0.724 -7.440 203 HB3 ARG 26 HB3 ARG 26 8.478 0.220 -8.535 204 HG2 ARG 26 HG2 ARG 26 7.371 2.345 -8.296 205 HG3 ARG 26 HG3 ARG 26 8.535 2.849 -7.068 206 HD2 ARG 26 HD2 ARG 26 8.976 3.797 -9.325 207 HD3 ARG 26 HD3 ARG 26 10.314 2.851 -8.674 208 HH11 ARG 26 HH11 ARG 26 9.356 4.385 -10.963 209 HH12 ARG 26 HH12 ARG 26 9.333 4.078 -12.670 210 HH21 ARG 26 HH21 ARG 26 9.245 0.584 -12.334 211 HH22 ARG 26 HH22 ARG 26 9.216 1.913 -13.458 212 H VAL 27 H VAL 27 9.503 -0.610 -4.754 213 HA VAL 27 HA VAL 27 9.313 1.735 -3.017 214 HB VAL 27 HB VAL 27 10.758 -0.890 -2.557 215 HG11 VAL 27 HG11 VAL 27 10.213 1.411 -0.687 216 HG12 VAL 27 HG12 VAL 27 11.785 0.928 -1.325 217 HG13 VAL 27 HG13 VAL 27 10.915 -0.138 -0.222 218 HG21 VAL 27 HG21 VAL 27 8.958 -1.393 -0.972 219 HG22 VAL 27 HG22 VAL 27 8.343 -1.206 -2.614 220 HG23 VAL 27 HG23 VAL 27 8.134 0.094 -1.440 221 H SER 28 H SER 28 10.648 3.332 -3.608 222 HA SER 28 HA SER 28 13.055 2.717 -5.115 223 HG SER 28 HG SER 28 11.248 6.343 -4.762 224 HB2 SER 28 HB2 SER 28 13.138 5.279 -5.272 225 HB3 SER 28 HB3 SER 28 11.800 4.463 -6.079 226 H ASP 29 H ASP 29 13.161 1.857 -2.505 227 HA ASP 29 HA ASP 29 14.545 1.760 -0.725 228 HB2 ASP 29 HB2 ASP 29 16.297 2.057 -2.457 229 HB3 ASP 29 HB3 ASP 29 16.207 3.797 -2.217 230 H GLY 30 H GLY 30 13.092 2.585 0.738 231 HA2 GLY 30 HA2 GLY 30 12.903 4.042 2.608 232 HA3 GLY 30 HA3 GLY 30 13.684 5.307 1.671 233 H LYS 31 H LYS 31 11.972 4.816 -0.663 234 HA LYS 31 HA LYS 31 9.473 5.972 0.352 235 HB2 LYS 31 HB2 LYS 31 11.163 6.639 -2.051 236 HB3 LYS 31 HB3 LYS 31 9.485 7.123 -1.930 237 HG2 LYS 31 HG2 LYS 31 9.898 8.594 -0.170 238 HG3 LYS 31 HG3 LYS 31 11.428 7.815 0.235 239 HD2 LYS 31 HD2 LYS 31 11.760 9.995 -0.845 240 HD3 LYS 31 HD3 LYS 31 12.435 8.673 -1.796 241 HE2 LYS 31 HE2 LYS 31 10.442 8.696 -3.223 242 HE3 LYS 31 HE3 LYS 31 9.792 10.042 -2.287 243 HZ1 LYS 31 HZ1 LYS 31 12.338 10.095 -3.820 244 HZ2 LYS 31 HZ2 LYS 31 11.661 11.395 -2.959 245 HZ3 LYS 31 HZ3 LYS 31 10.875 10.787 -4.332 246 H ALA 32 H ALA 32 7.604 5.642 -1.143 247 HA ALA 32 HA ALA 32 7.859 3.348 -2.939 248 HB1 ALA 32 HB1 ALA 32 7.317 2.370 -0.764 249 HB2 ALA 32 HB2 ALA 32 5.992 2.164 -1.910 250 HB3 ALA 32 HB3 ALA 32 5.890 3.399 -0.655 251 H ALA 33 H ALA 33 6.426 3.373 -4.617 252 HA ALA 33 HA ALA 33 4.754 5.760 -4.871 253 HB1 ALA 33 HB1 ALA 33 5.492 3.644 -6.902 254 HB2 ALA 33 HB2 ALA 33 6.265 5.220 -6.720 255 HB3 ALA 33 HB3 ALA 33 4.580 5.116 -7.233 256 H VAL 34 H VAL 34 2.680 5.624 -4.302 257 HA VAL 34 HA VAL 34 1.408 2.967 -4.240 258 HB VAL 34 HB VAL 34 0.587 5.477 -2.765 259 HG11 VAL 34 HG11 VAL 34 -0.831 3.981 -1.451 260 HG12 VAL 34 HG12 VAL 34 -0.332 2.623 -2.461 261 HG13 VAL 34 HG13 VAL 34 -1.262 3.949 -3.159 262 HG21 VAL 34 HG21 VAL 34 2.748 4.704 -1.966 263 HG22 VAL 34 HG22 VAL 34 2.107 3.076 -1.754 264 HG23 VAL 34 HG23 VAL 34 1.500 4.398 -0.759 265 H LEU 35 H LEU 35 -0.161 2.562 -5.635 266 HA LEU 35 HA LEU 35 -1.264 4.707 -7.257 267 HG LEU 35 HG LEU 35 -3.508 3.150 -8.558 268 HB2 LEU 35 HB2 LEU 35 -0.594 2.513 -8.238 269 HB3 LEU 35 HB3 LEU 35 -1.885 1.761 -7.331 270 HD11 LEU 35 HD11 LEU 35 -2.075 5.022 -9.137 271 HD12 LEU 35 HD12 LEU 35 -2.799 4.317 -10.583 272 HD13 LEU 35 HD13 LEU 35 -1.116 3.977 -10.183 273 HD21 LEU 35 HD21 LEU 35 -3.041 0.886 -9.287 274 HD22 LEU 35 HD22 LEU 35 -1.696 1.468 -10.268 275 HD23 LEU 35 HD23 LEU 35 -3.348 1.934 -10.672 276 H PHE 36 H PHE 36 -3.079 5.710 -6.812 277 HA PHE 36 HA PHE 36 -5.022 4.434 -5.022 278 HD1 PHE 36 HD2 PHE 36 -5.237 5.758 -2.606 279 HD2 PHE 36 HD1 PHE 36 -2.691 7.965 -5.205 280 HE1 PHE 36 HE2 PHE 36 -3.685 6.158 -0.742 281 HE2 PHE 36 HE1 PHE 36 -1.137 8.367 -3.345 282 HZ PHE 36 HZ PHE 36 -1.632 7.462 -1.111 283 HB2 PHE 36 HB2 PHE 36 -4.833 7.314 -5.929 284 HB3 PHE 36 HB3 PHE 36 -6.020 6.676 -4.799 285 H GLU 37 H GLU 37 -7.144 4.155 -5.657 286 HA GLU 37 HA GLU 37 -7.834 4.671 -8.446 287 HB2 GLU 37 HB2 GLU 37 -6.661 2.392 -8.103 288 HB3 GLU 37 HB3 GLU 37 -8.133 1.901 -7.285 289 HG2 GLU 37 HG2 GLU 37 -8.085 2.950 -10.096 290 HG3 GLU 37 HG3 GLU 37 -7.933 1.242 -9.695 291 H ASN 38 H ASN 38 -9.806 5.531 -8.445 292 HA ASN 38 HA ASN 38 -11.805 4.497 -6.568 293 HB2 ASN 38 HB2 ASN 38 -10.850 6.540 -5.546 294 HB3 ASN 38 HB3 ASN 38 -11.298 7.450 -6.988 295 HD21 ASN 38 HD21 ASN 38 -12.664 8.832 -5.913 296 HD22 ASN 38 HD22 ASN 38 -14.195 8.325 -5.287 297 H GLY 39 H GLY 39 -12.802 3.457 -8.261 298 HA2 GLY 39 HA2 GLY 39 -14.551 3.325 -9.761 299 HA3 GLY 39 HA3 GLY 39 -14.688 5.073 -9.699 300 H ASN 40 H ASN 40 -13.599 6.328 -11.177 301 HA ASN 40 HA ASN 40 -12.277 4.873 -13.376 302 HB2 ASN 40 HB2 ASN 40 -13.856 7.450 -13.397 303 HB3 ASN 40 HB3 ASN 40 -12.881 6.905 -14.754 304 HD21 ASN 40 HD21 ASN 40 -15.725 7.381 -14.621 305 HD22 ASN 40 HD22 ASN 40 -16.490 5.882 -15.053 306 H TRP 41 H TRP 41 -11.807 6.960 -10.824 307 HA TRP 41 HA TRP 41 -9.694 8.512 -12.069 308 HD1 TRP 41 HD1 TRP 41 -8.821 11.273 -11.080 309 HE1 TRP 41 HE1 TRP 41 -7.001 12.056 -9.436 310 HE3 TRP 41 HE3 TRP 41 -9.706 7.985 -7.275 311 HZ2 TRP 41 HZ2 TRP 41 -6.076 11.371 -6.856 312 HZ3 TRP 41 HZ3 TRP 41 -8.315 8.114 -5.252 313 HH2 TRP 41 HH2 TRP 41 -6.536 9.775 -5.049 314 HB2 TRP 41 HB2 TRP 41 -11.063 9.769 -10.619 315 HB3 TRP 41 HB3 TRP 41 -10.959 8.578 -9.332 316 H ASP 42 H ASP 42 -7.587 8.327 -11.707 317 HA ASP 42 HA ASP 42 -6.627 6.467 -9.679 318 HB2 ASP 42 HB2 ASP 42 -5.205 5.239 -11.118 319 HB3 ASP 42 HB3 ASP 42 -6.771 5.255 -11.908 320 H LYS 43 H LYS 43 -4.436 6.790 -9.112 321 HA LYS 43 HA LYS 43 -2.952 8.975 -10.199 322 HB2 LYS 43 HB2 LYS 43 -4.694 10.151 -8.842 323 HB3 LYS 43 HB3 LYS 43 -4.065 9.343 -7.414 324 HG2 LYS 43 HG2 LYS 43 -1.905 10.432 -7.747 325 HG3 LYS 43 HG3 LYS 43 -2.541 11.247 -9.178 326 HD2 LYS 43 HD2 LYS 43 -4.224 12.359 -7.795 327 HD3 LYS 43 HD3 LYS 43 -3.583 11.548 -6.362 328 HE2 LYS 43 HE2 LYS 43 -2.703 13.787 -6.448 329 HE3 LYS 43 HE3 LYS 43 -1.399 12.649 -6.777 330 HZ1 LYS 43 HZ1 LYS 43 -1.235 14.441 -8.312 331 HZ2 LYS 43 HZ2 LYS 43 -2.865 14.308 -8.753 332 HZ3 LYS 43 HZ3 LYS 43 -1.771 13.086 -9.183 333 H LEU 44 H LEU 44 -0.936 8.328 -10.056 334 HA LEU 44 HA LEU 44 -0.112 6.492 -7.948 335 HG LEU 44 HG LEU 44 2.038 5.313 -8.408 336 HB2 LEU 44 HB2 LEU 44 0.512 6.129 -10.352 337 HB3 LEU 44 HB3 LEU 44 1.471 7.590 -10.281 338 HD11 LEU 44 HD11 LEU 44 3.051 5.619 -11.230 339 HD12 LEU 44 HD12 LEU 44 2.000 4.336 -10.632 340 HD13 LEU 44 HD13 LEU 44 3.658 4.465 -10.042 341 HD21 LEU 44 HD21 LEU 44 4.309 6.235 -8.505 342 HD22 LEU 44 HD22 LEU 44 3.142 7.444 -7.970 343 HD23 LEU 44 HD23 LEU 44 3.751 7.482 -9.624 344 H VAL 45 H VAL 45 0.543 7.329 -6.081 345 HA VAL 45 HA VAL 45 2.040 9.875 -6.144 346 HB VAL 45 HB VAL 45 0.179 8.975 -3.930 347 HG11 VAL 45 HG11 VAL 45 2.025 10.335 -3.126 348 HG12 VAL 45 HG12 VAL 45 0.512 11.238 -3.052 349 HG13 VAL 45 HG13 VAL 45 1.672 11.563 -4.341 350 HG21 VAL 45 HG21 VAL 45 -1.115 9.585 -5.882 351 HG22 VAL 45 HG22 VAL 45 -0.209 11.089 -6.044 352 HG23 VAL 45 HG23 VAL 45 -1.260 10.841 -4.650 353 H THR 46 H THR 46 4.000 9.810 -5.248 354 HA THR 46 HA THR 46 4.910 7.383 -3.967 355 HB THR 46 HB THR 46 6.554 9.876 -4.197 356 HG1 THR 46 HG1 THR 46 5.392 8.505 -6.255 357 HG21 THR 46 HG21 THR 46 7.212 6.944 -4.493 358 HG22 THR 46 HG22 THR 46 7.507 7.924 -3.057 359 HG23 THR 46 HG23 THR 46 8.369 8.274 -4.555 360 H PHE 47 H PHE 47 5.204 7.093 -1.858 361 HA PHE 47 HA PHE 47 5.087 9.418 -0.057 362 HD1 PHE 47 HD1 PHE 47 3.030 10.135 1.643 363 HD2 PHE 47 HD2 PHE 47 1.811 7.208 -1.192 364 HE1 PHE 47 HE1 PHE 47 0.976 11.416 1.212 365 HE2 PHE 47 HE2 PHE 47 -0.245 8.486 -1.630 366 HZ PHE 47 HZ PHE 47 -0.665 10.592 -0.427 367 HB2 PHE 47 HB2 PHE 47 3.640 6.787 0.211 368 HB3 PHE 47 HB3 PHE 47 3.972 7.807 1.603 369 H ARG 48 H ARG 48 5.675 8.397 2.287 370 HA ARG 48 HA ARG 48 8.300 7.156 1.899 371 HE ARG 48 HE ARG 48 10.357 11.058 4.246 372 HB2 ARG 48 HB2 ARG 48 7.191 8.475 4.382 373 HB3 ARG 48 HB3 ARG 48 8.860 8.022 4.078 374 HG2 ARG 48 HG2 ARG 48 9.176 9.750 2.537 375 HG3 ARG 48 HG3 ARG 48 7.443 10.009 2.341 376 HD2 ARG 48 HD2 ARG 48 8.049 11.791 3.675 377 HD3 ARG 48 HD3 ARG 48 7.502 10.611 4.861 378 HH11 ARG 48 HH11 ARG 48 7.786 10.370 6.508 379 HH12 ARG 48 HH12 ARG 48 8.780 10.618 7.913 380 HH21 ARG 48 HH21 ARG 48 11.680 11.378 6.115 381 HH22 ARG 48 HH22 ARG 48 10.974 11.180 7.691 382 H LEU 49 H LEU 49 8.931 5.511 3.483 383 HA LEU 49 HA LEU 49 6.880 3.504 3.591 384 HG LEU 49 HG LEU 49 9.582 3.553 2.031 385 HB2 LEU 49 HB2 LEU 49 9.768 3.439 4.469 386 HB3 LEU 49 HB3 LEU 49 8.694 2.055 4.496 387 HD11 LEU 49 HD11 LEU 49 10.770 1.487 1.497 388 HD12 LEU 49 HD12 LEU 49 10.266 0.795 3.040 389 HD13 LEU 49 HD13 LEU 49 11.348 2.189 3.009 390 HD21 LEU 49 HD21 LEU 49 8.450 1.756 0.803 391 HD22 LEU 49 HD22 LEU 49 7.322 2.714 1.764 392 HD23 LEU 49 HD23 LEU 49 7.829 1.120 2.326 393 H SER 50 H SER 50 8.367 5.726 5.747 394 HA SER 50 HA SER 50 7.501 4.465 8.156 395 HG SER 50 HG SER 50 7.924 7.971 7.023 396 HB2 SER 50 HB2 SER 50 7.886 6.919 9.014 397 HB3 SER 50 HB3 SER 50 9.266 5.942 8.510 398 H GLU 51 H GLU 51 5.981 6.254 5.700 399 HA GLU 51 HA GLU 51 3.787 7.094 7.485 400 HB2 GLU 51 HB2 GLU 51 4.657 7.915 4.742 401 HB3 GLU 51 HB3 GLU 51 2.984 8.165 5.223 402 HG2 GLU 51 HG2 GLU 51 4.434 10.140 5.555 403 HG3 GLU 51 HG3 GLU 51 3.643 9.581 7.027 404 H LEU 52 H LEU 52 4.582 4.478 5.677 405 HA LEU 52 HA LEU 52 1.767 3.875 5.053 406 HG LEU 52 HG LEU 52 3.664 5.244 3.021 407 HB2 LEU 52 HB2 LEU 52 4.272 2.910 3.665 408 HB3 LEU 52 HB3 LEU 52 2.642 2.416 3.272 409 HD11 LEU 52 HD11 LEU 52 4.817 3.758 1.470 410 HD12 LEU 52 HD12 LEU 52 3.697 4.820 0.616 411 HD13 LEU 52 HD13 LEU 52 3.267 3.134 0.904 412 HD21 LEU 52 HD21 LEU 52 1.136 3.932 2.024 413 HD22 LEU 52 HD22 LEU 52 1.624 5.600 1.727 414 HD23 LEU 52 HD23 LEU 52 1.247 5.071 3.366 415 H GLU 53 H GLU 53 0.937 2.142 6.110 416 HA GLU 53 HA GLU 53 2.869 0.256 7.263 417 HB2 GLU 53 HB2 GLU 53 1.135 -0.523 8.752 418 HB3 GLU 53 HB3 GLU 53 1.274 1.222 8.881 419 HG2 GLU 53 HG2 GLU 53 -0.751 1.572 7.741 420 HG3 GLU 53 HG3 GLU 53 -0.801 -0.094 7.162 421 H ALA 54 H ALA 54 2.893 -1.835 6.657 422 HA ALA 54 HA ALA 54 1.792 -2.409 4.089 423 HB1 ALA 54 HB1 ALA 54 4.022 -3.186 4.763 424 HB2 ALA 54 HB2 ALA 54 2.984 -4.523 4.274 425 HB3 ALA 54 HB3 ALA 54 3.282 -4.222 5.984 426 H VAL 55 H VAL 55 -0.039 -3.411 3.608 427 HA VAL 55 HA VAL 55 -1.560 -4.659 5.790 428 HB VAL 55 HB VAL 55 -2.693 -4.182 3.057 429 HG11 VAL 55 HG11 VAL 55 -4.781 -3.877 4.319 430 HG12 VAL 55 HG12 VAL 55 -3.895 -4.163 5.817 431 HG13 VAL 55 HG13 VAL 55 -4.032 -5.446 4.615 432 HG21 VAL 55 HG21 VAL 55 -2.511 -2.066 5.202 433 HG22 VAL 55 HG22 VAL 55 -3.422 -1.937 3.697 434 HG23 VAL 55 HG23 VAL 55 -1.662 -2.047 3.655 435 H LYS 56 H LYS 56 -2.871 -6.597 4.998 436 HA LYS 56 HA LYS 56 -1.053 -8.354 3.513 437 HB2 LYS 56 HB2 LYS 56 -2.998 -8.807 5.746 438 HB3 LYS 56 HB3 LYS 56 -2.632 -10.127 4.651 439 HG2 LYS 56 HG2 LYS 56 -1.270 -10.186 6.690 440 HG3 LYS 56 HG3 LYS 56 -0.289 -10.016 5.236 441 HD2 LYS 56 HD2 LYS 56 -0.065 -7.627 5.651 442 HD3 LYS 56 HD3 LYS 56 -1.096 -7.769 7.076 443 HE2 LYS 56 HE2 LYS 56 1.511 -9.241 6.743 444 HE3 LYS 56 HE3 LYS 56 1.369 -7.672 7.536 445 HZ1 LYS 56 HZ1 LYS 56 1.347 -9.449 9.150 446 HZ2 LYS 56 HZ2 LYS 56 0.030 -10.185 8.386 447 HZ3 LYS 56 HZ3 LYS 56 -0.162 -8.676 9.133 448 HA PRO 57 HA PRO 57 -3.879 -8.500 0.106 449 HB2 PRO 57 HB2 PRO 57 -3.006 -11.347 -0.026 450 HB3 PRO 57 HB3 PRO 57 -3.018 -10.113 -1.292 451 HG2 PRO 57 HG2 PRO 57 -0.730 -10.830 -0.147 452 HG3 PRO 57 HG3 PRO 57 -1.051 -9.128 -0.533 453 HD2 PRO 57 HD2 PRO 57 -1.174 -10.527 2.109 454 HD3 PRO 57 HD3 PRO 57 -0.586 -8.896 1.723 455 H ILE 58 H ILE 58 -5.972 -9.165 -0.250 456 HA ILE 58 HA ILE 58 -7.434 -10.146 1.938 457 HB ILE 58 HB ILE 58 -8.479 -10.373 -0.868 458 HG12 ILE 58 HG12 ILE 58 -9.370 -7.952 -0.354 459 HG13 ILE 58 HG13 ILE 58 -7.965 -7.863 0.702 460 HG21 ILE 58 HG21 ILE 58 -10.610 -9.832 0.197 461 HG22 ILE 58 HG22 ILE 58 -9.790 -9.695 1.752 462 HG23 ILE 58 HG23 ILE 58 -9.854 -11.250 0.923 463 HD11 ILE 58 HD11 ILE 58 -7.916 -8.409 -2.259 464 HD12 ILE 58 HD12 ILE 58 -6.506 -8.304 -1.204 465 HD13 ILE 58 HD13 ILE 58 -7.513 -6.882 -1.474 466 H LEU 59 H LEU 59 -8.538 -12.119 2.181 467 HA LEU 59 HA LEU 59 -7.224 -14.364 0.822 468 HG LEU 59 HG LEU 59 -5.627 -15.738 2.110 469 HB2 LEU 59 HB2 LEU 59 -6.417 -13.656 3.237 470 HB3 LEU 59 HB3 LEU 59 -7.859 -14.514 3.740 471 HD11 LEU 59 HD11 LEU 59 -5.008 -16.881 4.177 472 HD12 LEU 59 HD12 LEU 59 -6.230 -15.958 5.052 473 HD13 LEU 59 HD13 LEU 59 -4.850 -15.130 4.329 474 HD21 LEU 59 HD21 LEU 59 -7.815 -16.815 1.798 475 HD22 LEU 59 HD22 LEU 59 -7.951 -17.024 3.543 476 HD23 LEU 59 HD23 LEU 59 -6.680 -17.859 2.652 477 H GLU 60 H GLU 60 -8.713 -15.518 -0.144 478 HA GLU 60 HA GLU 60 -11.208 -16.079 1.300 479 HB2 GLU 60 HB2 GLU 60 -12.261 -16.351 -1.000 480 HB3 GLU 60 HB3 GLU 60 -11.887 -14.708 -0.507 481 HG2 GLU 60 HG2 GLU 60 -11.100 -14.627 -2.618 482 HG3 GLU 60 HG3 GLU 60 -9.645 -15.210 -1.815 483 H HIS 61 H HIS 61 -11.918 -18.233 1.220 484 HA HIS 61 HA HIS 61 -10.016 -20.096 -0.030 485 HD1 HIS 61 HD1 HIS 61 -11.072 -22.895 3.430 486 HD2 HIS 61 HD2 HIS 61 -8.320 -21.939 0.458 487 HE1 HIS 61 HE1 HIS 61 -9.836 -25.029 2.928 488 HE2 HIS 61 HE2 HIS 61 -8.119 -24.407 1.190 489 HB2 HIS 61 HB2 HIS 61 -9.655 -19.896 2.453 490 HB3 HIS 61 HB3 HIS 61 -11.282 -20.526 2.685 491 H HIS 62 H HIS 62 -11.062 -21.142 -1.552 492 HA HIS 62 HA HIS 62 -13.870 -21.494 -1.643 493 HD1 HIS 62 HD1 HIS 62 -10.777 -22.044 -5.206 494 HD2 HIS 62 HD2 HIS 62 -13.543 -19.622 -3.260 495 HE1 HIS 62 HE1 HIS 62 -10.567 -19.777 -6.273 496 HE2 HIS 62 HE2 HIS 62 -12.014 -18.280 -4.850 497 HB2 HIS 62 HB2 HIS 62 -11.755 -23.104 -3.101 498 HB3 HIS 62 HB3 HIS 62 -13.452 -22.948 -3.552 499 H HIS 63 H HIS 63 -15.095 -22.853 -0.533 500 HA HIS 63 HA HIS 63 -13.874 -25.261 0.617 501 HD1 HIS 63 HD1 HIS 63 -16.882 -24.257 3.742 502 HD2 HIS 63 HD2 HIS 63 -13.214 -26.210 3.447 503 HE1 HIS 63 HE1 HIS 63 -16.903 -26.023 5.538 504 HE2 HIS 63 HE2 HIS 63 -14.603 -27.042 5.476 505 HB2 HIS 63 HB2 HIS 63 -13.623 -23.536 2.310 506 HB3 HIS 63 HB3 HIS 63 -15.324 -23.112 2.178 507 H HIS 64 H HIS 64 -15.108 -26.953 0.243 508 HA HIS 64 HA HIS 64 -17.897 -26.723 -0.430 509 HD1 HIS 64 HD1 HIS 64 -17.448 -31.160 0.723 510 HD2 HIS 64 HD2 HIS 64 -14.136 -28.651 0.598 511 HE1 HIS 64 HE1 HIS 64 -15.664 -32.323 2.057 512 HE2 HIS 64 HE2 HIS 64 -13.607 -30.898 1.764 513 HB2 HIS 64 HB2 HIS 64 -17.882 -29.140 -0.630 514 HB3 HIS 64 HB3 HIS 64 -16.432 -28.505 -1.397 515 H HIS 65 H HIS 65 -19.662 -27.346 0.854 516 HA HIS 65 HA HIS 65 -19.468 -26.660 3.560 517 HD1 HIS 65 HD1 HIS 65 -23.354 -29.151 3.656 518 HD2 HIS 65 HD2 HIS 65 -21.343 -25.956 5.408 519 HE1 HIS 65 HE1 HIS 65 -24.332 -28.915 5.965 520 HE2 HIS 65 HE2 HIS 65 -23.016 -27.056 7.051 521 HB2 HIS 65 HB2 HIS 65 -21.566 -26.456 2.342 522 HB3 HIS 65 HB3 HIS 65 -21.649 -28.203 2.144 523 H HIS 66 H HIS 66 -18.196 -27.754 4.876 524 HA HIS 66 HA HIS 66 -19.103 -30.162 6.001 525 HD1 HIS 66 HD1 HIS 66 -15.212 -31.979 6.085 526 HD2 HIS 66 HD2 HIS 66 -19.204 -33.076 5.636 527 HE1 HIS 66 HE1 HIS 66 -15.472 -34.157 7.320 528 HE2 HIS 66 HE2 HIS 66 -17.865 -34.853 6.947 529 HB2 HIS 66 HB2 HIS 66 -17.989 -31.058 3.906 530 HB3 HIS 66 HB3 HIS 66 -16.466 -30.447 4.546 Start of MODEL 4 1 HA MET 1 HA MET 1 8.292 -6.083 4.534 2 H1 MET 1 H1 MET 1 6.929 -8.013 4.258 3 H2 MET 1 H2 MET 1 8.501 -8.484 4.679 4 H3 MET 1 H3 MET 1 7.972 -8.634 3.072 5 HB2 MET 1 HB2 MET 1 10.454 -7.154 4.065 6 HB3 MET 1 HB3 MET 1 10.006 -7.357 2.380 7 HG2 MET 1 HG2 MET 1 11.557 -5.482 2.766 8 HG3 MET 1 HG3 MET 1 10.037 -4.985 2.025 9 HE1 MET 1 HE1 MET 1 12.184 -3.029 3.455 10 HE2 MET 1 HE2 MET 1 11.083 -1.933 4.289 11 HE3 MET 1 HE3 MET 1 10.721 -2.464 2.649 12 H ILE 2 H ILE 2 7.929 -4.219 3.221 13 HA ILE 2 HA ILE 2 5.754 -4.524 1.401 14 HB ILE 2 HB ILE 2 7.412 -2.042 1.799 15 HG12 ILE 2 HG12 ILE 2 4.988 -2.930 3.379 16 HG13 ILE 2 HG13 ILE 2 6.640 -2.958 3.981 17 HG21 ILE 2 HG21 ILE 2 4.531 -2.396 0.993 18 HG22 ILE 2 HG22 ILE 2 5.863 -2.032 -0.103 19 HG23 ILE 2 HG23 ILE 2 5.399 -0.866 1.135 20 HD11 ILE 2 HD11 ILE 2 6.747 -0.519 3.758 21 HD12 ILE 2 HD12 ILE 2 5.451 -1.038 4.835 22 HD13 ILE 2 HD13 ILE 2 5.075 -0.508 3.195 23 H PHE 3 H PHE 3 5.764 -4.594 -0.741 24 HA PHE 3 HA PHE 3 8.113 -3.928 -2.304 25 HD1 PHE 3 HD1 PHE 3 10.194 -5.008 -3.092 26 HD2 PHE 3 HD2 PHE 3 8.374 -7.701 -0.344 27 HE1 PHE 3 HE1 PHE 3 12.393 -5.459 -2.083 28 HE2 PHE 3 HE2 PHE 3 10.568 -8.151 0.672 29 HZ PHE 3 HZ PHE 3 12.580 -7.030 -0.198 30 HB2 PHE 3 HB2 PHE 3 7.079 -6.736 -1.978 31 HB3 PHE 3 HB3 PHE 3 7.869 -6.243 -3.469 32 HA PRO 4 HA PRO 4 5.265 -2.889 -5.567 33 HB2 PRO 4 HB2 PRO 4 6.548 -4.948 -7.298 34 HB3 PRO 4 HB3 PRO 4 6.255 -3.235 -7.618 35 HG2 PRO 4 HG2 PRO 4 8.700 -4.102 -7.028 36 HG3 PRO 4 HG3 PRO 4 8.107 -2.556 -6.391 37 HD2 PRO 4 HD2 PRO 4 8.408 -5.185 -5.010 38 HD3 PRO 4 HD3 PRO 4 8.672 -3.544 -4.387 39 H GLY 5 H GLY 5 3.211 -3.489 -5.636 40 HA2 GLY 5 HA2 GLY 5 1.524 -5.018 -6.441 41 HA3 GLY 5 HA3 GLY 5 2.567 -6.351 -5.964 42 H ALA 6 H ALA 6 3.108 -4.612 -3.440 43 HA ALA 6 HA ALA 6 1.095 -5.889 -1.827 44 HB1 ALA 6 HB1 ALA 6 3.401 -5.701 -1.037 45 HB2 ALA 6 HB2 ALA 6 2.280 -4.904 0.068 46 HB3 ALA 6 HB3 ALA 6 3.262 -3.943 -1.037 47 H THR 7 H THR 7 -0.319 -4.777 -0.353 48 HA THR 7 HA THR 7 -1.339 -2.280 -1.496 49 HB THR 7 HB THR 7 -2.683 -3.955 0.617 50 HG1 THR 7 HG1 THR 7 -2.204 -4.602 -1.963 51 HG21 THR 7 HG21 THR 7 -3.733 -2.010 -1.440 52 HG22 THR 7 HG22 THR 7 -3.574 -1.709 0.292 53 HG23 THR 7 HG23 THR 7 -4.718 -2.918 -0.293 54 H VAL 8 H VAL 8 -1.175 -0.401 -0.446 55 HA VAL 8 HA VAL 8 -0.489 -0.443 2.412 56 HB VAL 8 HB VAL 8 0.923 1.597 2.019 57 HG11 VAL 8 HG11 VAL 8 1.836 -0.959 0.714 58 HG12 VAL 8 HG12 VAL 8 1.933 -0.571 2.431 59 HG13 VAL 8 HG13 VAL 8 2.889 0.344 1.264 60 HG21 VAL 8 HG21 VAL 8 1.804 1.982 -0.225 61 HG22 VAL 8 HG22 VAL 8 0.055 2.206 -0.181 62 HG23 VAL 8 HG23 VAL 8 0.741 0.730 -0.863 63 H ARG 9 H ARG 9 -1.040 1.527 3.544 64 HA ARG 9 HA ARG 9 -3.143 3.092 2.222 65 HE ARG 9 HE ARG 9 -5.135 1.857 6.709 66 HB2 ARG 9 HB2 ARG 9 -4.199 1.282 3.502 67 HB3 ARG 9 HB3 ARG 9 -3.345 1.801 4.948 68 HG2 ARG 9 HG2 ARG 9 -4.612 3.770 5.115 69 HG3 ARG 9 HG3 ARG 9 -5.241 3.598 3.475 70 HD2 ARG 9 HD2 ARG 9 -6.905 2.992 5.184 71 HD3 ARG 9 HD3 ARG 9 -6.504 1.643 4.123 72 HH11 ARG 9 HH11 ARG 9 -7.400 0.182 4.618 73 HH12 ARG 9 HH12 ARG 9 -7.548 -1.190 5.668 74 HH21 ARG 9 HH21 ARG 9 -5.319 0.077 8.083 75 HH22 ARG 9 HH22 ARG 9 -6.392 -1.234 7.671 76 H VAL 10 H VAL 10 -3.157 5.219 2.717 77 HA VAL 10 HA VAL 10 -0.851 6.302 4.022 78 HB VAL 10 HB VAL 10 -3.322 7.743 3.037 79 HG11 VAL 10 HG11 VAL 10 -2.026 9.095 4.579 80 HG12 VAL 10 HG12 VAL 10 -1.863 9.713 2.934 81 HG13 VAL 10 HG13 VAL 10 -0.556 8.773 3.657 82 HG21 VAL 10 HG21 VAL 10 -1.977 8.221 1.022 83 HG22 VAL 10 HG22 VAL 10 -2.311 6.501 1.228 84 HG23 VAL 10 HG23 VAL 10 -0.721 7.147 1.634 85 H THR 11 H THR 11 -0.623 6.691 6.123 86 HA THR 11 HA THR 11 -3.015 6.671 7.811 87 HB THR 11 HB THR 11 -1.429 6.318 9.698 88 HG1 THR 11 HG1 THR 11 0.528 5.974 7.646 89 HG21 THR 11 HG21 THR 11 -1.186 4.336 7.432 90 HG22 THR 11 HG22 THR 11 -2.512 4.419 8.591 91 HG23 THR 11 HG23 THR 11 -0.889 3.998 9.138 92 H ASN 12 H ASN 12 -1.345 8.975 6.299 93 HA ASN 12 HA ASN 12 -0.991 10.825 8.491 94 HB2 ASN 12 HB2 ASN 12 0.469 10.959 6.493 95 HB3 ASN 12 HB3 ASN 12 -0.937 11.359 5.508 96 HD21 ASN 12 HD21 ASN 12 0.054 13.338 4.920 97 HD22 ASN 12 HD22 ASN 12 0.108 14.673 6.019 98 H VAL 13 H VAL 13 -2.688 11.658 9.457 99 HA VAL 13 HA VAL 13 -5.298 11.471 8.333 100 HB VAL 13 HB VAL 13 -4.456 12.945 10.824 101 HG11 VAL 13 HG11 VAL 13 -6.698 13.526 10.106 102 HG12 VAL 13 HG12 VAL 13 -6.760 12.536 11.563 103 HG13 VAL 13 HG13 VAL 13 -7.126 11.818 9.994 104 HG21 VAL 13 HG21 VAL 13 -5.008 10.892 12.034 105 HG22 VAL 13 HG22 VAL 13 -3.677 10.644 10.904 106 HG23 VAL 13 HG23 VAL 13 -5.295 10.068 10.501 107 H ASP 14 H ASP 14 -2.920 13.997 8.522 108 HA ASP 14 HA ASP 14 -4.799 16.124 8.053 109 HB2 ASP 14 HB2 ASP 14 -2.687 16.465 9.323 110 HB3 ASP 14 HB3 ASP 14 -1.782 16.184 7.839 111 H ASP 15 H ASP 15 -3.561 13.757 6.093 112 HA ASP 15 HA ASP 15 -3.316 15.475 3.742 113 HB2 ASP 15 HB2 ASP 15 -1.668 13.574 4.287 114 HB3 ASP 15 HB3 ASP 15 -2.951 12.484 3.769 115 H THR 16 H THR 16 -4.424 14.794 1.743 116 HA THR 16 HA THR 16 -7.218 14.361 2.308 117 HB THR 16 HB THR 16 -5.875 14.811 -0.363 118 HG1 THR 16 HG1 THR 16 -6.220 16.482 1.760 119 HG21 THR 16 HG21 THR 16 -8.063 15.637 -1.063 120 HG22 THR 16 HG22 THR 16 -8.718 15.301 0.540 121 HG23 THR 16 HG23 THR 16 -8.189 13.972 -0.492 122 H TYR 17 H TYR 17 -4.519 12.499 1.248 123 HA TYR 17 HA TYR 17 -6.188 10.435 0.039 124 HD1 TYR 17 HD1 TYR 17 -5.817 11.073 -2.066 125 HD2 TYR 17 HD2 TYR 17 -1.784 11.627 -0.832 126 HE1 TYR 17 HE1 TYR 17 -5.442 12.577 -3.977 127 HE2 TYR 17 HE2 TYR 17 -1.403 13.134 -2.733 128 HH TYR 17 HH TYR 17 -3.872 14.469 -4.547 129 HB2 TYR 17 HB2 TYR 17 -3.202 10.412 0.525 130 HB3 TYR 17 HB3 TYR 17 -4.105 9.309 -0.506 131 H TYR 18 H TYR 18 -6.191 11.221 2.941 132 HA TYR 18 HA TYR 18 -4.999 9.179 4.473 133 HD1 TYR 18 HD2 TYR 18 -4.677 8.893 6.699 134 HD2 TYR 18 HD1 TYR 18 -8.517 10.690 7.036 135 HE1 TYR 18 HE2 TYR 18 -4.991 7.797 8.878 136 HE2 TYR 18 HE1 TYR 18 -8.844 9.597 9.212 137 HH TYR 18 HH TYR 18 -6.311 8.053 10.903 138 HB2 TYR 18 HB2 TYR 18 -5.625 11.291 5.488 139 HB3 TYR 18 HB3 TYR 18 -7.320 11.013 5.105 140 H ARG 19 H ARG 19 -5.556 7.183 4.852 141 HA ARG 19 HA ARG 19 -6.696 5.261 5.083 142 HE ARG 19 HE ARG 19 -8.424 6.738 9.402 143 HB2 ARG 19 HB2 ARG 19 -9.093 7.084 5.057 144 HB3 ARG 19 HB3 ARG 19 -9.218 5.339 5.252 145 HG2 ARG 19 HG2 ARG 19 -7.659 5.542 7.200 146 HG3 ARG 19 HG3 ARG 19 -7.830 7.291 7.063 147 HD2 ARG 19 HD2 ARG 19 -10.231 7.094 7.420 148 HD3 ARG 19 HD3 ARG 19 -10.083 5.338 7.509 149 HH11 ARG 19 HH11 ARG 19 -11.580 5.351 8.813 150 HH12 ARG 19 HH12 ARG 19 -11.959 5.185 10.497 151 HH21 ARG 19 HH21 ARG 19 -8.905 6.502 11.616 152 HH22 ARG 19 HH22 ARG 19 -10.439 5.836 12.097 153 H PHE 20 H PHE 20 -6.518 6.919 2.324 154 HA PHE 20 HA PHE 20 -8.082 5.123 0.711 155 HD1 PHE 20 HD1 PHE 20 -7.521 8.832 1.106 156 HD2 PHE 20 HD2 PHE 20 -8.711 6.360 -2.145 157 HE1 PHE 20 HE1 PHE 20 -9.423 10.330 0.668 158 HE2 PHE 20 HE2 PHE 20 -10.612 7.852 -2.587 159 HZ PHE 20 HZ PHE 20 -10.970 9.840 -1.184 160 HB2 PHE 20 HB2 PHE 20 -5.986 7.176 0.068 161 HB3 PHE 20 HB3 PHE 20 -6.585 6.074 -1.153 162 H GLU 21 H GLU 21 -7.290 3.455 -0.521 163 HA GLU 21 HA GLU 21 -4.789 2.293 0.494 164 HB2 GLU 21 HB2 GLU 21 -7.272 0.870 -0.493 165 HB3 GLU 21 HB3 GLU 21 -5.806 0.088 0.086 166 HG2 GLU 21 HG2 GLU 21 -6.145 1.002 2.294 167 HG3 GLU 21 HG3 GLU 21 -7.555 1.899 1.736 168 H GLY 22 H GLY 22 -3.261 1.773 -0.941 169 HA2 GLY 22 HA2 GLY 22 -4.000 1.727 -3.788 170 HA3 GLY 22 HA3 GLY 22 -2.734 2.816 -3.241 171 H LEU 23 H LEU 23 -2.207 0.948 -5.172 172 HA LEU 23 HA LEU 23 -0.890 -1.274 -3.814 173 HG LEU 23 HG LEU 23 -2.562 -3.028 -6.587 174 HB2 LEU 23 HB2 LEU 23 -1.624 -0.709 -6.669 175 HB3 LEU 23 HB3 LEU 23 -0.475 -1.957 -6.264 176 HD11 LEU 23 HD11 LEU 23 -1.305 -3.880 -4.701 177 HD12 LEU 23 HD12 LEU 23 -3.037 -4.002 -4.396 178 HD13 LEU 23 HD13 LEU 23 -2.095 -2.725 -3.629 179 HD21 LEU 23 HD21 LEU 23 -4.601 -2.404 -5.398 180 HD22 LEU 23 HD22 LEU 23 -4.014 -1.079 -6.402 181 HD23 LEU 23 HD23 LEU 23 -3.760 -1.045 -4.657 182 H VAL 24 H VAL 24 1.240 -1.321 -3.532 183 HA VAL 24 HA VAL 24 2.910 0.870 -4.189 184 HB VAL 24 HB VAL 24 3.738 -1.948 -3.461 185 HG11 VAL 24 HG11 VAL 24 5.820 -0.892 -2.694 186 HG12 VAL 24 HG12 VAL 24 5.248 0.657 -3.313 187 HG13 VAL 24 HG13 VAL 24 5.565 -0.675 -4.425 188 HG21 VAL 24 HG21 VAL 24 2.268 -1.020 -1.768 189 HG22 VAL 24 HG22 VAL 24 3.244 0.447 -1.699 190 HG23 VAL 24 HG23 VAL 24 3.925 -1.090 -1.167 191 H GLN 25 H GLN 25 3.464 1.398 -6.185 192 HA GLN 25 HA GLN 25 3.469 -0.466 -8.352 193 HB2 GLN 25 HB2 GLN 25 4.599 2.334 -8.165 194 HB3 GLN 25 HB3 GLN 25 4.402 1.422 -9.654 195 HG2 GLN 25 HG2 GLN 25 2.188 2.305 -7.815 196 HG3 GLN 25 HG3 GLN 25 2.621 3.052 -9.352 197 HE21 GLN 25 HE21 GLN 25 1.140 0.322 -7.804 198 HE22 GLN 25 HE22 GLN 25 0.384 -0.329 -9.218 199 H ARG 26 H ARG 26 5.876 0.984 -6.283 200 HA ARG 26 HA ARG 26 7.686 -1.120 -6.508 201 HE ARG 26 HE ARG 26 9.690 4.086 -8.689 202 HB2 ARG 26 HB2 ARG 26 9.488 -0.177 -7.766 203 HB3 ARG 26 HB3 ARG 26 8.053 -0.078 -8.774 204 HG2 ARG 26 HG2 ARG 26 7.818 2.278 -8.254 205 HG3 ARG 26 HG3 ARG 26 9.209 2.193 -7.169 206 HD2 ARG 26 HD2 ARG 26 10.560 1.416 -9.139 207 HD3 ARG 26 HD3 ARG 26 9.172 1.802 -10.153 208 HH11 ARG 26 HH11 ARG 26 11.410 2.071 -10.991 209 HH12 ARG 26 HH12 ARG 26 12.384 3.377 -11.591 210 HH21 ARG 26 HH21 ARG 26 10.999 5.795 -9.462 211 HH22 ARG 26 HH22 ARG 26 12.171 5.491 -10.711 212 H VAL 27 H VAL 27 9.372 -0.875 -5.071 213 HA VAL 27 HA VAL 27 9.110 1.335 -3.177 214 HB VAL 27 HB VAL 27 10.787 -1.179 -2.978 215 HG11 VAL 27 HG11 VAL 27 10.954 -0.610 -0.593 216 HG12 VAL 27 HG12 VAL 27 10.091 0.896 -0.901 217 HG13 VAL 27 HG13 VAL 27 11.679 0.628 -1.619 218 HG21 VAL 27 HG21 VAL 27 8.405 -1.693 -3.022 219 HG22 VAL 27 HG22 VAL 27 8.121 -0.528 -1.728 220 HG23 VAL 27 HG23 VAL 27 9.081 -1.974 -1.417 221 H SER 28 H SER 28 10.561 2.942 -3.068 222 HA SER 28 HA SER 28 13.052 2.650 -4.610 223 HG SER 28 HG SER 28 13.648 4.498 -6.012 224 HB2 SER 28 HB2 SER 28 11.358 4.041 -5.818 225 HB3 SER 28 HB3 SER 28 11.351 5.155 -4.454 226 H ASP 29 H ASP 29 13.892 2.041 -2.526 227 HA ASP 29 HA ASP 29 15.059 2.385 -0.622 228 HB2 ASP 29 HB2 ASP 29 16.432 3.615 -2.305 229 HB3 ASP 29 HB3 ASP 29 15.628 5.101 -1.811 230 H GLY 30 H GLY 30 13.224 2.363 0.743 231 HA2 GLY 30 HA2 GLY 30 12.283 3.186 2.685 232 HA3 GLY 30 HA3 GLY 30 13.115 4.708 2.406 233 H LYS 31 H LYS 31 11.728 4.454 -0.413 234 HA LYS 31 HA LYS 31 9.197 5.645 0.457 235 HB2 LYS 31 HB2 LYS 31 10.951 6.176 -1.942 236 HB3 LYS 31 HB3 LYS 31 9.338 6.825 -1.759 237 HG2 LYS 31 HG2 LYS 31 9.985 8.120 0.137 238 HG3 LYS 31 HG3 LYS 31 11.556 7.318 0.203 239 HD2 LYS 31 HD2 LYS 31 11.835 9.493 -0.787 240 HD3 LYS 31 HD3 LYS 31 12.083 8.264 -2.030 241 HE2 LYS 31 HE2 LYS 31 9.730 8.617 -2.760 242 HE3 LYS 31 HE3 LYS 31 9.609 9.940 -1.599 243 HZ1 LYS 31 HZ1 LYS 31 11.435 9.786 -3.936 244 HZ2 LYS 31 HZ2 LYS 31 11.490 11.013 -2.764 245 HZ3 LYS 31 HZ3 LYS 31 10.115 10.839 -3.741 246 H ALA 32 H ALA 32 7.368 5.304 -0.971 247 HA ALA 32 HA ALA 32 7.592 3.030 -2.810 248 HB1 ALA 32 HB1 ALA 32 5.571 2.004 -1.877 249 HB2 ALA 32 HB2 ALA 32 5.532 3.236 -0.614 250 HB3 ALA 32 HB3 ALA 32 6.866 2.084 -0.683 251 H ALA 33 H ALA 33 6.478 3.343 -4.648 252 HA ALA 33 HA ALA 33 4.968 5.803 -4.951 253 HB1 ALA 33 HB1 ALA 33 5.631 3.637 -6.953 254 HB2 ALA 33 HB2 ALA 33 6.523 5.142 -6.717 255 HB3 ALA 33 HB3 ALA 33 4.867 5.182 -7.326 256 H VAL 34 H VAL 34 2.950 5.757 -4.192 257 HA VAL 34 HA VAL 34 1.467 3.246 -4.189 258 HB VAL 34 HB VAL 34 0.650 5.903 -3.008 259 HG11 VAL 34 HG11 VAL 34 -0.309 3.099 -2.463 260 HG12 VAL 34 HG12 VAL 34 -1.191 4.348 -3.342 261 HG13 VAL 34 HG13 VAL 34 -0.846 4.555 -1.625 262 HG21 VAL 34 HG21 VAL 34 2.763 5.191 -2.034 263 HG22 VAL 34 HG22 VAL 34 2.074 3.608 -1.671 264 HG23 VAL 34 HG23 VAL 34 1.450 5.047 -0.866 265 H LEU 35 H LEU 35 0.115 2.786 -5.797 266 HA LEU 35 HA LEU 35 -1.028 4.978 -7.362 267 HG LEU 35 HG LEU 35 -2.875 3.460 -9.089 268 HB2 LEU 35 HB2 LEU 35 0.024 2.980 -8.485 269 HB3 LEU 35 HB3 LEU 35 -1.294 2.029 -7.847 270 HD11 LEU 35 HD11 LEU 35 -0.368 4.616 -10.286 271 HD12 LEU 35 HD12 LEU 35 -1.535 5.466 -9.271 272 HD13 LEU 35 HD13 LEU 35 -2.005 4.901 -10.876 273 HD21 LEU 35 HD21 LEU 35 -2.395 2.511 -11.293 274 HD22 LEU 35 HD22 LEU 35 -2.166 1.326 -10.006 275 HD23 LEU 35 HD23 LEU 35 -0.768 2.098 -10.753 276 H PHE 36 H PHE 36 -2.787 5.767 -6.467 277 HA PHE 36 HA PHE 36 -4.645 4.095 -5.014 278 HD1 PHE 36 HD2 PHE 36 -4.866 5.325 -2.528 279 HD2 PHE 36 HD1 PHE 36 -2.915 8.021 -5.181 280 HE1 PHE 36 HE2 PHE 36 -3.332 5.996 -0.724 281 HE2 PHE 36 HE1 PHE 36 -1.378 8.688 -3.384 282 HZ PHE 36 HZ PHE 36 -1.588 7.676 -1.149 283 HB2 PHE 36 HB2 PHE 36 -4.929 6.990 -5.827 284 HB3 PHE 36 HB3 PHE 36 -5.924 6.137 -4.658 285 H GLU 37 H GLU 37 -6.553 3.361 -5.752 286 HA GLU 37 HA GLU 37 -6.979 3.658 -8.651 287 HB2 GLU 37 HB2 GLU 37 -6.213 1.411 -7.902 288 HB3 GLU 37 HB3 GLU 37 -7.654 1.282 -6.907 289 HG2 GLU 37 HG2 GLU 37 -9.017 1.511 -8.981 290 HG3 GLU 37 HG3 GLU 37 -7.519 1.417 -9.906 291 H ASN 38 H ASN 38 -8.728 2.880 -5.651 292 HA ASN 38 HA ASN 38 -10.805 3.352 -4.900 293 HB2 ASN 38 HB2 ASN 38 -10.408 5.671 -5.357 294 HB3 ASN 38 HB3 ASN 38 -10.712 5.444 -7.075 295 HD21 ASN 38 HD21 ASN 38 -12.155 5.640 -3.912 296 HD22 ASN 38 HD22 ASN 38 -13.778 5.910 -4.452 297 H GLY 39 H GLY 39 -10.746 3.257 -8.465 298 HA2 GLY 39 HA2 GLY 39 -12.050 0.948 -8.935 299 HA3 GLY 39 HA3 GLY 39 -13.378 2.037 -8.557 300 H ASN 40 H ASN 40 -12.646 4.353 -9.714 301 HA ASN 40 HA ASN 40 -12.116 3.753 -12.552 302 HB2 ASN 40 HB2 ASN 40 -14.553 4.029 -12.086 303 HB3 ASN 40 HB3 ASN 40 -14.237 5.650 -11.509 304 HD21 ASN 40 HD21 ASN 40 -14.284 3.568 -14.307 305 HD22 ASN 40 HD22 ASN 40 -14.330 4.831 -15.488 306 H TRP 41 H TRP 41 -11.034 5.071 -9.965 307 HA TRP 41 HA TRP 41 -10.295 7.715 -10.998 308 HD1 TRP 41 HD1 TRP 41 -10.404 10.107 -9.804 309 HE1 TRP 41 HE1 TRP 41 -8.955 11.695 -8.384 310 HE3 TRP 41 HE3 TRP 41 -8.670 6.739 -6.366 311 HZ2 TRP 41 HZ2 TRP 41 -7.288 11.528 -6.105 312 HZ3 TRP 41 HZ3 TRP 41 -7.156 7.538 -4.599 313 HH2 TRP 41 HH2 TRP 41 -6.481 9.880 -4.474 314 HB2 TRP 41 HB2 TRP 41 -11.478 7.562 -8.825 315 HB3 TRP 41 HB3 TRP 41 -10.179 6.571 -8.191 316 H ASP 42 H ASP 42 -8.016 8.399 -10.211 317 HA ASP 42 HA ASP 42 -6.115 6.251 -9.865 318 HB2 ASP 42 HB2 ASP 42 -4.750 6.702 -11.767 319 HB3 ASP 42 HB3 ASP 42 -6.382 6.479 -12.367 320 H LYS 43 H LYS 43 -4.096 6.960 -9.174 321 HA LYS 43 HA LYS 43 -3.249 9.640 -9.133 322 HB2 LYS 43 HB2 LYS 43 -5.140 9.654 -7.381 323 HB3 LYS 43 HB3 LYS 43 -4.051 8.694 -6.386 324 HG2 LYS 43 HG2 LYS 43 -3.333 10.659 -5.615 325 HG3 LYS 43 HG3 LYS 43 -2.440 10.763 -7.133 326 HD2 LYS 43 HD2 LYS 43 -5.144 11.955 -6.516 327 HD3 LYS 43 HD3 LYS 43 -3.637 12.824 -6.801 328 HE2 LYS 43 HE2 LYS 43 -4.998 11.077 -8.842 329 HE3 LYS 43 HE3 LYS 43 -5.227 12.819 -8.725 330 HZ1 LYS 43 HZ1 LYS 43 -3.554 12.040 -10.399 331 HZ2 LYS 43 HZ2 LYS 43 -2.560 11.584 -9.103 332 HZ3 LYS 43 HZ3 LYS 43 -2.997 13.209 -9.303 333 H LEU 44 H LEU 44 -1.174 9.113 -9.509 334 HA LEU 44 HA LEU 44 0.076 7.064 -7.830 335 HG LEU 44 HG LEU 44 2.981 7.740 -8.765 336 HB2 LEU 44 HB2 LEU 44 0.473 6.928 -10.244 337 HB3 LEU 44 HB3 LEU 44 1.149 8.547 -10.235 338 HD11 LEU 44 HD11 LEU 44 3.314 5.351 -8.462 339 HD12 LEU 44 HD12 LEU 44 1.792 5.022 -9.290 340 HD13 LEU 44 HD13 LEU 44 1.787 5.867 -7.743 341 HD21 LEU 44 HD21 LEU 44 3.305 7.862 -11.181 342 HD22 LEU 44 HD22 LEU 44 2.659 6.230 -11.359 343 HD23 LEU 44 HD23 LEU 44 4.176 6.486 -10.496 344 H VAL 45 H VAL 45 0.793 7.780 -5.945 345 HA VAL 45 HA VAL 45 2.455 10.206 -5.916 346 HB VAL 45 HB VAL 45 0.498 9.531 -3.707 347 HG11 VAL 45 HG11 VAL 45 1.084 11.722 -2.821 348 HG12 VAL 45 HG12 VAL 45 2.202 11.979 -4.161 349 HG13 VAL 45 HG13 VAL 45 2.518 10.707 -2.980 350 HG21 VAL 45 HG21 VAL 45 0.284 11.702 -5.794 351 HG22 VAL 45 HG22 VAL 45 -0.806 11.469 -4.426 352 HG23 VAL 45 HG23 VAL 45 -0.720 10.254 -5.703 353 H THR 46 H THR 46 4.373 9.867 -4.955 354 HA THR 46 HA THR 46 4.845 7.309 -3.664 355 HB THR 46 HB THR 46 6.858 9.490 -4.137 356 HG1 THR 46 HG1 THR 46 6.977 8.917 -6.198 357 HG21 THR 46 HG21 THR 46 7.597 7.699 -2.677 358 HG22 THR 46 HG22 THR 46 8.443 7.613 -4.222 359 HG23 THR 46 HG23 THR 46 7.121 6.497 -3.879 360 H PHE 47 H PHE 47 5.198 7.034 -1.578 361 HA PHE 47 HA PHE 47 5.586 9.361 0.181 362 HD1 PHE 47 HD1 PHE 47 3.609 10.587 1.583 363 HD2 PHE 47 HD2 PHE 47 1.922 7.425 -0.709 364 HE1 PHE 47 HE1 PHE 47 1.708 12.033 0.995 365 HE2 PHE 47 HE2 PHE 47 0.017 8.866 -1.304 366 HZ PHE 47 HZ PHE 47 -0.090 11.174 -0.448 367 HB2 PHE 47 HB2 PHE 47 3.748 7.003 0.661 368 HB3 PHE 47 HB3 PHE 47 4.220 8.140 1.915 369 H ARG 48 H ARG 48 6.176 8.256 2.517 370 HA ARG 48 HA ARG 48 8.452 6.539 1.965 371 HE ARG 48 HE ARG 48 10.414 10.971 3.970 372 HB2 ARG 48 HB2 ARG 48 7.463 7.594 4.618 373 HB3 ARG 48 HB3 ARG 48 8.992 6.788 4.330 374 HG2 ARG 48 HG2 ARG 48 9.744 8.647 2.964 375 HG3 ARG 48 HG3 ARG 48 8.186 9.451 3.188 376 HD2 ARG 48 HD2 ARG 48 8.603 9.378 5.654 377 HD3 ARG 48 HD3 ARG 48 10.225 8.788 5.303 378 HH11 ARG 48 HH11 ARG 48 8.463 10.582 6.860 379 HH12 ARG 48 HH12 ARG 48 8.693 12.217 7.398 380 HH21 ARG 48 HH21 ARG 48 10.735 13.129 4.681 381 HH22 ARG 48 HH22 ARG 48 9.990 13.662 6.160 382 H LEU 49 H LEU 49 8.767 4.687 3.498 383 HA LEU 49 HA LEU 49 6.487 2.933 3.356 384 HG LEU 49 HG LEU 49 9.337 2.788 2.068 385 HB2 LEU 49 HB2 LEU 49 9.241 2.492 4.519 386 HB3 LEU 49 HB3 LEU 49 8.024 1.249 4.312 387 HD11 LEU 49 HD11 LEU 49 9.743 -0.045 3.016 388 HD12 LEU 49 HD12 LEU 49 10.901 1.279 3.158 389 HD13 LEU 49 HD13 LEU 49 10.454 0.666 1.566 390 HD21 LEU 49 HD21 LEU 49 7.064 2.100 1.515 391 HD22 LEU 49 HD22 LEU 49 7.430 0.449 2.016 392 HD23 LEU 49 HD23 LEU 49 8.242 1.144 0.614 393 H SER 50 H SER 50 8.070 4.931 5.650 394 HA SER 50 HA SER 50 6.857 3.759 7.972 395 HG SER 50 HG SER 50 7.958 7.305 7.397 396 HB2 SER 50 HB2 SER 50 7.759 5.893 9.050 397 HB3 SER 50 HB3 SER 50 8.957 4.824 8.317 398 H GLU 51 H GLU 51 5.953 6.009 5.542 399 HA GLU 51 HA GLU 51 4.042 7.409 7.251 400 HB2 GLU 51 HB2 GLU 51 4.218 7.630 4.250 401 HB3 GLU 51 HB3 GLU 51 3.533 8.786 5.379 402 HG2 GLU 51 HG2 GLU 51 6.424 8.156 4.896 403 HG3 GLU 51 HG3 GLU 51 5.580 9.676 4.623 404 H LEU 52 H LEU 52 4.128 4.582 5.468 405 HA LEU 52 HA LEU 52 1.212 4.534 5.096 406 HG LEU 52 HG LEU 52 3.354 5.382 3.005 407 HB2 LEU 52 HB2 LEU 52 3.322 2.945 3.643 408 HB3 LEU 52 HB3 LEU 52 1.605 2.945 3.308 409 HD11 LEU 52 HD11 LEU 52 3.285 4.919 0.603 410 HD12 LEU 52 HD12 LEU 52 2.453 3.397 0.924 411 HD13 LEU 52 HD13 LEU 52 4.107 3.637 1.488 412 HD21 LEU 52 HD21 LEU 52 0.577 4.741 2.012 413 HD22 LEU 52 HD22 LEU 52 1.481 6.216 1.668 414 HD23 LEU 52 HD23 LEU 52 0.978 5.852 3.320 415 H GLU 53 H GLU 53 0.138 2.559 5.606 416 HA GLU 53 HA GLU 53 1.745 0.717 7.238 417 HB2 GLU 53 HB2 GLU 53 -0.269 -0.001 8.329 418 HB3 GLU 53 HB3 GLU 53 -0.226 1.753 8.377 419 HG2 GLU 53 HG2 GLU 53 -1.902 1.942 6.738 420 HG3 GLU 53 HG3 GLU 53 -1.762 0.243 6.287 421 H ALA 54 H ALA 54 2.034 -1.317 6.570 422 HA ALA 54 HA ALA 54 1.090 -2.095 3.975 423 HB1 ALA 54 HB1 ALA 54 3.315 -2.742 4.760 424 HB2 ALA 54 HB2 ALA 54 2.337 -4.156 4.365 425 HB3 ALA 54 HB3 ALA 54 2.583 -3.696 6.049 426 H VAL 55 H VAL 55 -0.827 -3.005 3.574 427 HA VAL 55 HA VAL 55 -2.479 -3.897 5.773 428 HB VAL 55 HB VAL 55 -3.252 -4.289 2.903 429 HG11 VAL 55 HG11 VAL 55 -4.760 -5.123 4.595 430 HG12 VAL 55 HG12 VAL 55 -5.486 -3.747 3.763 431 HG13 VAL 55 HG13 VAL 55 -4.798 -3.541 5.374 432 HG21 VAL 55 HG21 VAL 55 -3.323 -1.651 4.367 433 HG22 VAL 55 HG22 VAL 55 -4.105 -1.978 2.822 434 HG23 VAL 55 HG23 VAL 55 -2.347 -2.033 2.948 435 H LYS 56 H LYS 56 -3.689 -6.036 5.438 436 HA LYS 56 HA LYS 56 -1.615 -8.068 5.119 437 HB2 LYS 56 HB2 LYS 56 -4.258 -8.111 6.579 438 HB3 LYS 56 HB3 LYS 56 -3.137 -9.454 6.498 439 HG2 LYS 56 HG2 LYS 56 -1.447 -8.118 7.658 440 HG3 LYS 56 HG3 LYS 56 -2.589 -6.774 7.747 441 HD2 LYS 56 HD2 LYS 56 -4.116 -8.151 9.061 442 HD3 LYS 56 HD3 LYS 56 -2.990 -9.505 8.964 443 HE2 LYS 56 HE2 LYS 56 -1.307 -8.151 10.147 444 HE3 LYS 56 HE3 LYS 56 -2.483 -6.845 10.287 445 HZ1 LYS 56 HZ1 LYS 56 -2.330 -8.222 12.298 446 HZ2 LYS 56 HZ2 LYS 56 -2.839 -9.571 11.412 447 HZ3 LYS 56 HZ3 LYS 56 -3.881 -8.251 11.623 448 HA PRO 57 HA PRO 57 -3.637 -10.023 1.643 449 HB2 PRO 57 HB2 PRO 57 -3.379 -12.665 2.426 450 HB3 PRO 57 HB3 PRO 57 -2.129 -11.733 1.597 451 HG2 PRO 57 HG2 PRO 57 -2.424 -12.340 4.508 452 HG3 PRO 57 HG3 PRO 57 -0.956 -12.283 3.514 453 HD2 PRO 57 HD2 PRO 57 -1.618 -10.282 5.179 454 HD3 PRO 57 HD3 PRO 57 -0.828 -9.974 3.617 455 H ILE 58 H ILE 58 -5.639 -10.853 1.132 456 HA ILE 58 HA ILE 58 -7.651 -10.462 3.085 457 HB ILE 58 HB ILE 58 -8.129 -11.895 0.485 458 HG12 ILE 58 HG12 ILE 58 -8.663 -9.458 -0.336 459 HG13 ILE 58 HG13 ILE 58 -7.539 -8.987 0.931 460 HG21 ILE 58 HG21 ILE 58 -9.838 -10.024 2.103 461 HG22 ILE 58 HG22 ILE 58 -10.003 -11.778 2.006 462 HG23 ILE 58 HG23 ILE 58 -10.300 -10.786 0.580 463 HD11 ILE 58 HD11 ILE 58 -6.915 -10.804 -1.384 464 HD12 ILE 58 HD12 ILE 58 -5.791 -10.315 -0.116 465 HD13 ILE 58 HD13 ILE 58 -6.444 -9.111 -1.227 466 H LEU 59 H LEU 59 -9.183 -11.959 3.840 467 HA LEU 59 HA LEU 59 -8.240 -14.742 3.949 468 HG LEU 59 HG LEU 59 -7.087 -12.799 6.015 469 HB2 LEU 59 HB2 LEU 59 -9.532 -13.097 6.124 470 HB3 LEU 59 HB3 LEU 59 -9.311 -14.832 6.219 471 HD11 LEU 59 HD11 LEU 59 -8.015 -14.465 8.349 472 HD12 LEU 59 HD12 LEU 59 -8.236 -12.725 8.168 473 HD13 LEU 59 HD13 LEU 59 -6.611 -13.396 8.329 474 HD21 LEU 59 HD21 LEU 59 -6.508 -14.921 4.967 475 HD22 LEU 59 HD22 LEU 59 -7.007 -15.787 6.420 476 HD23 LEU 59 HD23 LEU 59 -5.619 -14.701 6.475 477 H GLU 60 H GLU 60 -9.564 -16.062 2.994 478 HA GLU 60 HA GLU 60 -11.428 -17.133 2.294 479 HB2 GLU 60 HB2 GLU 60 -12.340 -16.764 4.560 480 HB3 GLU 60 HB3 GLU 60 -12.975 -15.210 4.039 481 HG2 GLU 60 HG2 GLU 60 -14.416 -16.326 2.430 482 HG3 GLU 60 HG3 GLU 60 -13.769 -17.889 2.924 483 H HIS 61 H HIS 61 -12.371 -17.001 0.380 484 HA HIS 61 HA HIS 61 -12.511 -14.425 -0.925 485 HD1 HIS 61 HD1 HIS 61 -11.319 -14.599 -3.835 486 HD2 HIS 61 HD2 HIS 61 -10.360 -17.910 -1.503 487 HE1 HIS 61 HE1 HIS 61 -8.885 -15.064 -4.281 488 HE2 HIS 61 HE2 HIS 61 -8.385 -17.188 -3.021 489 HB2 HIS 61 HB2 HIS 61 -13.058 -17.239 -1.862 490 HB3 HIS 61 HB3 HIS 61 -13.358 -15.832 -2.877 491 H HIS 62 H HIS 62 -14.214 -13.146 -0.628 492 HA HIS 62 HA HIS 62 -16.797 -14.091 0.115 493 HD1 HIS 62 HD1 HIS 62 -17.615 -11.999 2.261 494 HD2 HIS 62 HD2 HIS 62 -18.990 -11.022 -1.536 495 HE1 HIS 62 HE1 HIS 62 -20.009 -11.290 2.567 496 HE2 HIS 62 HE2 HIS 62 -20.758 -10.524 0.285 497 HB2 HIS 62 HB2 HIS 62 -15.755 -11.738 0.469 498 HB3 HIS 62 HB3 HIS 62 -16.262 -11.424 -1.187 499 H HIS 63 H HIS 63 -17.686 -15.505 -1.303 500 HA HIS 63 HA HIS 63 -16.856 -15.495 -4.015 501 HD1 HIS 63 HD1 HIS 63 -20.312 -18.429 -4.263 502 HD2 HIS 63 HD2 HIS 63 -19.325 -16.714 -0.606 503 HE1 HIS 63 HE1 HIS 63 -22.324 -18.768 -2.789 504 HE2 HIS 63 HE2 HIS 63 -21.778 -17.542 -0.653 505 HB2 HIS 63 HB2 HIS 63 -18.026 -17.558 -4.263 506 HB3 HIS 63 HB3 HIS 63 -17.268 -17.557 -2.679 507 H HIS 64 H HIS 64 -19.579 -14.057 -2.482 508 HA HIS 64 HA HIS 64 -21.403 -12.931 -3.294 509 HD1 HIS 64 HD1 HIS 64 -20.792 -10.166 -3.593 510 HD2 HIS 64 HD2 HIS 64 -17.538 -11.855 -5.553 511 HE1 HIS 64 HE1 HIS 64 -18.868 -8.596 -3.197 512 HE2 HIS 64 HE2 HIS 64 -17.012 -9.496 -4.642 513 HB2 HIS 64 HB2 HIS 64 -19.930 -13.020 -5.946 514 HB3 HIS 64 HB3 HIS 64 -21.304 -11.995 -5.569 515 H HIS 65 H HIS 65 -22.554 -13.118 -5.945 516 HA HIS 65 HA HIS 65 -23.082 -16.005 -6.219 517 HD1 HIS 65 HD1 HIS 65 -25.888 -17.232 -5.610 518 HD2 HIS 65 HD2 HIS 65 -25.330 -13.558 -3.731 519 HE1 HIS 65 HE1 HIS 65 -26.793 -17.513 -3.275 520 HE2 HIS 65 HE2 HIS 65 -26.676 -15.210 -2.260 521 HB2 HIS 65 HB2 HIS 65 -25.003 -13.693 -6.488 522 HB3 HIS 65 HB3 HIS 65 -25.329 -15.261 -7.217 523 H HIS 66 H HIS 66 -22.249 -16.749 -8.038 524 HA HIS 66 HA HIS 66 -21.483 -14.883 -10.132 525 HD1 HIS 66 HD1 HIS 66 -19.471 -17.862 -7.746 526 HD2 HIS 66 HD2 HIS 66 -18.516 -14.783 -10.374 527 HE1 HIS 66 HE1 HIS 66 -17.340 -16.859 -6.867 528 HE2 HIS 66 HE2 HIS 66 -16.797 -14.961 -8.441 529 HB2 HIS 66 HB2 HIS 66 -20.948 -17.838 -9.761 530 HB3 HIS 66 HB3 HIS 66 -20.381 -16.904 -11.140 Start of MODEL 5 1 HA MET 1 HA MET 1 8.422 -4.772 5.221 2 H1 MET 1 H1 MET 1 7.818 -6.516 6.709 3 H2 MET 1 H2 MET 1 7.030 -7.373 5.475 4 H3 MET 1 H3 MET 1 6.412 -5.884 6.004 5 HB2 MET 1 HB2 MET 1 9.900 -6.745 5.329 6 HB3 MET 1 HB3 MET 1 9.001 -7.489 4.016 7 HG2 MET 1 HG2 MET 1 10.867 -6.649 2.956 8 HG3 MET 1 HG3 MET 1 9.656 -5.406 2.664 9 HE1 MET 1 HE1 MET 1 9.507 -3.619 5.223 10 HE2 MET 1 HE2 MET 1 9.747 -2.987 3.595 11 HE3 MET 1 HE3 MET 1 10.799 -2.461 4.910 12 H ILE 2 H ILE 2 7.755 -3.511 3.624 13 HA ILE 2 HA ILE 2 5.529 -4.305 1.999 14 HB ILE 2 HB ILE 2 7.147 -1.775 1.753 15 HG12 ILE 2 HG12 ILE 2 4.712 -2.269 3.478 16 HG13 ILE 2 HG13 ILE 2 6.360 -2.133 4.084 17 HG21 ILE 2 HG21 ILE 2 5.077 -0.844 0.837 18 HG22 ILE 2 HG22 ILE 2 4.302 -2.418 1.008 19 HG23 ILE 2 HG23 ILE 2 5.650 -2.217 -0.111 20 HD11 ILE 2 HD11 ILE 2 5.176 -0.064 4.418 21 HD12 ILE 2 HD12 ILE 2 4.781 0.021 2.702 22 HD13 ILE 2 HD13 ILE 2 6.457 0.167 3.228 23 H PHE 3 H PHE 3 5.527 -4.841 -0.110 24 HA PHE 3 HA PHE 3 8.024 -4.732 -1.613 25 HD1 PHE 3 HD1 PHE 3 5.980 -7.398 0.769 26 HD2 PHE 3 HD2 PHE 3 5.306 -7.486 -3.432 27 HE1 PHE 3 HE1 PHE 3 3.843 -8.556 1.140 28 HE2 PHE 3 HE2 PHE 3 3.168 -8.643 -3.068 29 HZ PHE 3 HZ PHE 3 2.431 -9.181 -0.779 30 HB2 PHE 3 HB2 PHE 3 7.453 -6.954 -2.550 31 HB3 PHE 3 HB3 PHE 3 7.794 -7.014 -0.832 32 HA PRO 4 HA PRO 4 5.643 -3.040 -4.944 33 HB2 PRO 4 HB2 PRO 4 6.814 -5.046 -6.783 34 HB3 PRO 4 HB3 PRO 4 6.894 -3.283 -6.843 35 HG2 PRO 4 HG2 PRO 4 9.024 -4.737 -6.147 36 HG3 PRO 4 HG3 PRO 4 8.677 -3.176 -5.377 37 HD2 PRO 4 HD2 PRO 4 8.214 -5.948 -4.341 38 HD3 PRO 4 HD3 PRO 4 8.792 -4.505 -3.480 39 H GLY 5 H GLY 5 3.563 -3.356 -5.411 40 HA2 GLY 5 HA2 GLY 5 1.820 -4.555 -6.514 41 HA3 GLY 5 HA3 GLY 5 2.658 -6.055 -6.145 42 H ALA 6 H ALA 6 2.909 -4.413 -3.375 43 HA ALA 6 HA ALA 6 0.722 -5.891 -2.180 44 HB1 ALA 6 HB1 ALA 6 2.843 -4.176 -0.892 45 HB2 ALA 6 HB2 ALA 6 2.918 -5.925 -1.116 46 HB3 ALA 6 HB3 ALA 6 1.702 -5.224 -0.048 47 H THR 7 H THR 7 -0.997 -5.023 -1.060 48 HA THR 7 HA THR 7 -1.751 -2.312 -1.730 49 HB THR 7 HB THR 7 -3.304 -4.114 0.106 50 HG1 THR 7 HG1 THR 7 -3.827 -4.252 -2.639 51 HG21 THR 7 HG21 THR 7 -5.218 -3.004 -0.971 52 HG22 THR 7 HG22 THR 7 -4.102 -2.066 -1.963 53 HG23 THR 7 HG23 THR 7 -4.127 -1.848 -0.213 54 H VAL 8 H VAL 8 -1.443 -0.609 -0.436 55 HA VAL 8 HA VAL 8 -0.893 -1.086 2.416 56 HB VAL 8 HB VAL 8 0.753 0.795 2.324 57 HG11 VAL 8 HG11 VAL 8 1.502 -1.516 2.419 58 HG12 VAL 8 HG12 VAL 8 2.579 -0.567 1.395 59 HG13 VAL 8 HG13 VAL 8 1.389 -1.644 0.664 60 HG21 VAL 8 HG21 VAL 8 1.722 1.405 0.168 61 HG22 VAL 8 HG22 VAL 8 0.007 1.811 0.228 62 HG23 VAL 8 HG23 VAL 8 0.543 0.383 -0.657 63 H ARG 9 H ARG 9 -1.628 0.415 3.836 64 HA ARG 9 HA ARG 9 -3.511 2.398 2.776 65 HE ARG 9 HE ARG 9 -4.956 3.286 8.252 66 HB2 ARG 9 HB2 ARG 9 -4.589 0.990 4.321 67 HB3 ARG 9 HB3 ARG 9 -3.215 0.992 5.417 68 HG2 ARG 9 HG2 ARG 9 -3.689 3.254 6.086 69 HG3 ARG 9 HG3 ARG 9 -4.977 3.379 4.884 70 HD2 ARG 9 HD2 ARG 9 -6.376 1.933 6.049 71 HD3 ARG 9 HD3 ARG 9 -5.044 1.226 6.963 72 HH11 ARG 9 HH11 ARG 9 -7.851 2.789 6.328 73 HH12 ARG 9 HH12 ARG 9 -8.856 3.753 7.372 74 HH21 ARG 9 HH21 ARG 9 -6.260 4.534 9.613 75 HH22 ARG 9 HH22 ARG 9 -7.945 4.756 9.238 76 H VAL 10 H VAL 10 -3.084 4.521 2.907 77 HA VAL 10 HA VAL 10 -0.595 5.476 3.920 78 HB VAL 10 HB VAL 10 -3.066 7.086 3.236 79 HG11 VAL 10 HG11 VAL 10 -0.169 7.909 3.429 80 HG12 VAL 10 HG12 VAL 10 -1.448 8.335 4.567 81 HG13 VAL 10 HG13 VAL 10 -1.501 8.940 2.911 82 HG21 VAL 10 HG21 VAL 10 -2.365 5.704 1.352 83 HG22 VAL 10 HG22 VAL 10 -0.723 6.333 1.491 84 HG23 VAL 10 HG23 VAL 10 -2.045 7.411 1.040 85 H THR 11 H THR 11 -0.122 5.648 6.016 86 HA THR 11 HA THR 11 -2.368 5.956 7.900 87 HB THR 11 HB THR 11 0.282 4.665 8.537 88 HG1 THR 11 HG1 THR 11 -1.183 3.749 6.722 89 HG21 THR 11 HG21 THR 11 -1.124 5.299 10.453 90 HG22 THR 11 HG22 THR 11 -1.026 3.545 10.288 91 HG23 THR 11 HG23 THR 11 -2.474 4.402 9.758 92 H ASN 12 H ASN 12 -0.165 7.870 6.587 93 HA ASN 12 HA ASN 12 0.812 9.127 9.004 94 HB2 ASN 12 HB2 ASN 12 2.119 9.203 6.856 95 HB3 ASN 12 HB3 ASN 12 0.865 10.243 6.187 96 HD21 ASN 12 HD21 ASN 12 3.709 10.784 6.643 97 HD22 ASN 12 HD22 ASN 12 3.751 12.185 7.670 98 H VAL 13 H VAL 13 -0.481 10.269 10.228 99 HA VAL 13 HA VAL 13 -3.134 10.918 9.482 100 HB VAL 13 HB VAL 13 -1.618 12.016 11.842 101 HG11 VAL 13 HG11 VAL 13 -3.776 13.070 11.474 102 HG12 VAL 13 HG12 VAL 13 -3.824 12.053 12.915 103 HG13 VAL 13 HG13 VAL 13 -4.553 11.487 11.413 104 HG21 VAL 13 HG21 VAL 13 -1.316 9.618 11.807 105 HG22 VAL 13 HG22 VAL 13 -3.049 9.380 11.578 106 HG23 VAL 13 HG23 VAL 13 -2.446 10.059 13.089 107 H ASP 14 H ASP 14 -0.167 12.606 9.185 108 HA ASP 14 HA ASP 14 -1.156 15.274 9.257 109 HB2 ASP 14 HB2 ASP 14 1.191 14.827 9.651 110 HB3 ASP 14 HB3 ASP 14 1.360 14.099 8.057 111 H ASP 15 H ASP 15 -0.966 12.832 6.778 112 HA ASP 15 HA ASP 15 -1.292 14.780 4.645 113 HB2 ASP 15 HB2 ASP 15 0.213 12.823 4.331 114 HB3 ASP 15 HB3 ASP 15 -1.189 11.762 4.448 115 H THR 16 H THR 16 -2.963 14.430 2.992 116 HA THR 16 HA THR 16 -5.529 14.421 4.271 117 HB THR 16 HB THR 16 -4.877 14.691 1.332 118 HG1 THR 16 HG1 THR 16 -3.760 16.269 2.531 119 HG21 THR 16 HG21 THR 16 -6.987 15.921 1.210 120 HG22 THR 16 HG22 THR 16 -7.260 15.646 2.931 121 HG23 THR 16 HG23 THR 16 -7.257 14.284 1.811 122 H TYR 17 H TYR 17 -3.648 12.116 2.482 123 HA TYR 17 HA TYR 17 -5.983 10.546 1.747 124 HD1 TYR 17 HD2 TYR 17 -2.951 12.344 0.023 125 HD2 TYR 17 HD1 TYR 17 -5.778 9.345 -1.033 126 HE1 TYR 17 HE2 TYR 17 -3.387 13.510 -2.098 127 HE2 TYR 17 HE1 TYR 17 -6.221 10.504 -3.157 128 HH TYR 17 HH TYR 17 -6.037 12.803 -4.079 129 HB2 TYR 17 HB2 TYR 17 -3.034 10.210 1.221 130 HB3 TYR 17 HB3 TYR 17 -4.217 8.982 0.784 131 H TYR 18 H TYR 18 -5.036 10.987 4.577 132 HA TYR 18 HA TYR 18 -4.168 8.454 5.559 133 HD1 TYR 18 HD2 TYR 18 -3.359 7.780 7.729 134 HD2 TYR 18 HD1 TYR 18 -6.249 10.607 9.050 135 HE1 TYR 18 HE2 TYR 18 -3.561 6.571 9.860 136 HE2 TYR 18 HE1 TYR 18 -6.462 9.404 11.183 137 HH TYR 18 HH TYR 18 -6.075 7.170 12.082 138 HB2 TYR 18 HB2 TYR 18 -3.670 10.416 6.855 139 HB3 TYR 18 HB3 TYR 18 -5.369 10.854 6.951 140 H ARG 19 H ARG 19 -5.684 7.150 4.414 141 HA ARG 19 HA ARG 19 -7.576 5.877 5.890 142 HE ARG 19 HE ARG 19 -10.884 6.928 2.892 143 HB2 ARG 19 HB2 ARG 19 -9.742 6.618 4.897 144 HB3 ARG 19 HB3 ARG 19 -9.003 7.830 5.932 145 HG2 ARG 19 HG2 ARG 19 -8.362 9.160 4.098 146 HG3 ARG 19 HG3 ARG 19 -8.675 7.859 2.947 147 HD2 ARG 19 HD2 ARG 19 -10.817 9.104 4.649 148 HD3 ARG 19 HD3 ARG 19 -10.403 9.694 3.040 149 HH11 ARG 19 HH11 ARG 19 -12.638 9.910 3.484 150 HH12 ARG 19 HH12 ARG 19 -14.127 9.305 2.827 151 HH21 ARG 19 HH21 ARG 19 -12.840 6.160 2.007 152 HH22 ARG 19 HH22 ARG 19 -14.248 7.187 1.988 153 H PHE 20 H PHE 20 -6.506 6.987 2.788 154 HA PHE 20 HA PHE 20 -7.958 5.023 1.287 155 HD1 PHE 20 HD2 PHE 20 -9.059 6.074 -0.990 156 HD2 PHE 20 HD1 PHE 20 -6.812 9.022 1.101 157 HE1 PHE 20 HE2 PHE 20 -10.872 7.694 -1.340 158 HE2 PHE 20 HE1 PHE 20 -8.626 10.650 0.756 159 HZ PHE 20 HZ PHE 20 -10.658 9.988 -0.466 160 HB2 PHE 20 HB2 PHE 20 -5.804 6.986 0.505 161 HB3 PHE 20 HB3 PHE 20 -6.579 5.892 -0.628 162 H GLU 21 H GLU 21 -7.083 3.373 0.052 163 HA GLU 21 HA GLU 21 -4.500 2.319 0.998 164 HB2 GLU 21 HB2 GLU 21 -7.043 0.761 0.457 165 HB3 GLU 21 HB3 GLU 21 -5.493 0.063 0.913 166 HG2 GLU 21 HG2 GLU 21 -5.590 0.964 3.074 167 HG3 GLU 21 HG3 GLU 21 -6.880 2.080 2.640 168 H GLY 22 H GLY 22 -3.114 1.921 -0.613 169 HA2 GLY 22 HA2 GLY 22 -4.215 1.620 -3.338 170 HA3 GLY 22 HA3 GLY 22 -2.930 2.774 -3.010 171 H LEU 23 H LEU 23 -2.158 1.225 -4.871 172 HA LEU 23 HA LEU 23 -0.908 -1.172 -3.755 173 HG LEU 23 HG LEU 23 -3.367 -1.383 -5.429 174 HB2 LEU 23 HB2 LEU 23 -1.482 -0.253 -6.560 175 HB3 LEU 23 HB3 LEU 23 -0.465 -1.626 -6.210 176 HD11 LEU 23 HD11 LEU 23 -3.088 -1.590 -7.838 177 HD12 LEU 23 HD12 LEU 23 -3.751 -3.073 -7.152 178 HD13 LEU 23 HD13 LEU 23 -2.049 -2.997 -7.606 179 HD21 LEU 23 HD21 LEU 23 -2.037 -2.762 -3.890 180 HD22 LEU 23 HD22 LEU 23 -1.480 -3.730 -5.254 181 HD23 LEU 23 HD23 LEU 23 -3.188 -3.728 -4.815 182 H VAL 24 H VAL 24 1.252 -1.359 -3.566 183 HA VAL 24 HA VAL 24 2.942 0.913 -4.057 184 HB VAL 24 HB VAL 24 3.727 -1.914 -3.322 185 HG11 VAL 24 HG11 VAL 24 5.263 0.677 -3.141 186 HG12 VAL 24 HG12 VAL 24 5.578 -0.648 -4.262 187 HG13 VAL 24 HG13 VAL 24 5.808 -0.885 -2.529 188 HG21 VAL 24 HG21 VAL 24 3.881 -1.061 -1.031 189 HG22 VAL 24 HG22 VAL 24 2.237 -0.964 -1.662 190 HG23 VAL 24 HG23 VAL 24 3.235 0.488 -1.571 191 H GLN 25 H GLN 25 3.527 1.455 -6.017 192 HA GLN 25 HA GLN 25 3.535 -0.372 -8.227 193 HB2 GLN 25 HB2 GLN 25 3.031 2.053 -8.436 194 HB3 GLN 25 HB3 GLN 25 4.686 2.418 -8.003 195 HG2 GLN 25 HG2 GLN 25 4.455 2.612 -10.367 196 HG3 GLN 25 HG3 GLN 25 5.454 1.206 -10.006 197 HE21 GLN 25 HE21 GLN 25 1.970 1.264 -9.670 198 HE22 GLN 25 HE22 GLN 25 1.627 0.192 -10.981 199 H ARG 26 H ARG 26 5.904 1.125 -6.163 200 HA ARG 26 HA ARG 26 7.938 -0.766 -6.741 201 HE ARG 26 HE ARG 26 8.162 5.009 -8.735 202 HB2 ARG 26 HB2 ARG 26 9.557 0.897 -7.710 203 HB3 ARG 26 HB3 ARG 26 8.225 0.488 -8.784 204 HG2 ARG 26 HG2 ARG 26 7.075 2.563 -7.984 205 HG3 ARG 26 HG3 ARG 26 8.575 2.989 -7.161 206 HD2 ARG 26 HD2 ARG 26 9.765 3.088 -9.228 207 HD3 ARG 26 HD3 ARG 26 8.395 2.414 -10.111 208 HH11 ARG 26 HH11 ARG 26 8.184 3.149 -11.706 209 HH12 ARG 26 HH12 ARG 26 7.382 4.382 -12.632 210 HH21 ARG 26 HH21 ARG 26 7.079 6.620 -9.941 211 HH22 ARG 26 HH22 ARG 26 6.751 6.353 -11.636 212 H VAL 27 H VAL 27 9.377 -0.792 -5.157 213 HA VAL 27 HA VAL 27 9.126 1.167 -3.003 214 HB VAL 27 HB VAL 27 10.659 -1.449 -3.049 215 HG11 VAL 27 HG11 VAL 27 9.934 0.350 -0.734 216 HG12 VAL 27 HG12 VAL 27 11.543 0.162 -1.431 217 HG13 VAL 27 HG13 VAL 27 10.768 -1.201 -0.624 218 HG21 VAL 27 HG21 VAL 27 8.256 -1.805 -3.272 219 HG22 VAL 27 HG22 VAL 27 7.966 -0.805 -1.848 220 HG23 VAL 27 HG23 VAL 27 8.831 -2.335 -1.691 221 H SER 28 H SER 28 10.783 2.488 -2.369 222 HA SER 28 HA SER 28 13.321 2.278 -3.841 223 HG SER 28 HG SER 28 13.896 4.221 -5.203 224 HB2 SER 28 HB2 SER 28 11.710 4.105 -4.697 225 HB3 SER 28 HB3 SER 28 12.040 4.931 -3.177 226 H ASP 29 H ASP 29 13.533 1.082 -1.721 227 HA ASP 29 HA ASP 29 13.748 1.071 0.631 228 HB2 ASP 29 HB2 ASP 29 16.189 1.371 1.011 229 HB3 ASP 29 HB3 ASP 29 15.779 0.344 -0.352 230 H GLY 30 H GLY 30 12.363 2.536 1.495 231 HA2 GLY 30 HA2 GLY 30 12.508 4.233 3.290 232 HA3 GLY 30 HA3 GLY 30 13.521 5.162 2.190 233 H LYS 31 H LYS 31 12.149 4.792 -0.174 234 HA LYS 31 HA LYS 31 9.611 6.185 0.323 235 HB2 LYS 31 HB2 LYS 31 11.569 6.192 -1.973 236 HB3 LYS 31 HB3 LYS 31 9.946 6.822 -2.137 237 HG2 LYS 31 HG2 LYS 31 11.678 7.843 0.057 238 HG3 LYS 31 HG3 LYS 31 11.949 8.404 -1.594 239 HD2 LYS 31 HD2 LYS 31 9.541 9.038 -1.703 240 HD3 LYS 31 HD3 LYS 31 9.403 8.621 0.007 241 HE2 LYS 31 HE2 LYS 31 10.976 10.316 0.616 242 HE3 LYS 31 HE3 LYS 31 11.359 10.640 -1.075 243 HZ1 LYS 31 HZ1 LYS 31 9.138 11.481 -1.405 244 HZ2 LYS 31 HZ2 LYS 31 9.868 12.302 -0.114 245 HZ3 LYS 31 HZ3 LYS 31 8.706 11.101 0.190 246 H ALA 32 H ALA 32 7.930 5.747 -1.361 247 HA ALA 32 HA ALA 32 8.101 3.351 -2.945 248 HB1 ALA 32 HB1 ALA 32 6.231 2.181 -1.882 249 HB2 ALA 32 HB2 ALA 32 6.177 3.409 -0.617 250 HB3 ALA 32 HB3 ALA 32 7.586 2.357 -0.766 251 H ALA 33 H ALA 33 6.626 3.400 -4.614 252 HA ALA 33 HA ALA 33 5.084 5.875 -4.827 253 HB1 ALA 33 HB1 ALA 33 6.521 5.273 -6.703 254 HB2 ALA 33 HB2 ALA 33 4.825 5.266 -7.190 255 HB3 ALA 33 HB3 ALA 33 5.662 3.744 -6.887 256 H VAL 34 H VAL 34 3.036 5.866 -4.171 257 HA VAL 34 HA VAL 34 1.603 3.309 -4.039 258 HB VAL 34 HB VAL 34 0.846 5.959 -2.800 259 HG11 VAL 34 HG11 VAL 34 -0.649 4.577 -1.397 260 HG12 VAL 34 HG12 VAL 34 -0.221 3.172 -2.373 261 HG13 VAL 34 HG13 VAL 34 -1.073 4.528 -3.108 262 HG21 VAL 34 HG21 VAL 34 2.225 3.582 -1.562 263 HG22 VAL 34 HG22 VAL 34 1.638 4.994 -0.685 264 HG23 VAL 34 HG23 VAL 34 2.939 5.166 -1.863 265 H LEU 35 H LEU 35 0.212 2.836 -5.582 266 HA LEU 35 HA LEU 35 -0.960 4.979 -7.201 267 HG LEU 35 HG LEU 35 -2.818 3.256 -8.846 268 HB2 LEU 35 HB2 LEU 35 0.120 3.002 -8.294 269 HB3 LEU 35 HB3 LEU 35 -1.114 1.997 -7.580 270 HD11 LEU 35 HD11 LEU 35 -0.436 4.541 -10.159 271 HD12 LEU 35 HD12 LEU 35 -1.619 5.347 -9.129 272 HD13 LEU 35 HD13 LEU 35 -2.110 4.693 -10.691 273 HD21 LEU 35 HD21 LEU 35 -0.644 2.009 -10.511 274 HD22 LEU 35 HD22 LEU 35 -2.320 2.245 -11.007 275 HD23 LEU 35 HD23 LEU 35 -1.939 1.146 -9.682 276 H PHE 36 H PHE 36 -2.814 5.731 -6.515 277 HA PHE 36 HA PHE 36 -4.552 4.145 -4.822 278 HD1 PHE 36 HD2 PHE 36 -5.049 5.581 -2.471 279 HD2 PHE 36 HD1 PHE 36 -2.903 7.996 -5.246 280 HE1 PHE 36 HE2 PHE 36 -3.618 6.404 -0.647 281 HE2 PHE 36 HE1 PHE 36 -1.474 8.820 -3.423 282 HZ PHE 36 HZ PHE 36 -1.830 8.026 -1.122 283 HB2 PHE 36 HB2 PHE 36 -4.913 6.943 -5.905 284 HB3 PHE 36 HB3 PHE 36 -5.958 6.165 -4.726 285 H GLU 37 H GLU 37 -6.564 3.412 -5.357 286 HA GLU 37 HA GLU 37 -7.395 3.649 -8.160 287 HB2 GLU 37 HB2 GLU 37 -6.055 1.523 -7.699 288 HB3 GLU 37 HB3 GLU 37 -7.381 1.016 -6.667 289 HG2 GLU 37 HG2 GLU 37 -7.687 1.671 -9.587 290 HG3 GLU 37 HG3 GLU 37 -7.372 0.052 -8.975 291 H ASN 38 H ASN 38 -9.361 4.537 -8.077 292 HA ASN 38 HA ASN 38 -11.327 3.296 -6.313 293 HB2 ASN 38 HB2 ASN 38 -10.487 5.276 -5.094 294 HB3 ASN 38 HB3 ASN 38 -10.953 6.295 -6.454 295 HD21 ASN 38 HD21 ASN 38 -12.348 7.491 -5.178 296 HD22 ASN 38 HD22 ASN 38 -13.877 6.863 -4.659 297 H GLY 39 H GLY 39 -11.890 2.372 -8.403 298 HA2 GLY 39 HA2 GLY 39 -13.698 2.201 -9.845 299 HA3 GLY 39 HA3 GLY 39 -14.123 3.862 -9.472 300 H ASN 40 H ASN 40 -13.642 5.412 -10.883 301 HA ASN 40 HA ASN 40 -12.242 4.632 -13.336 302 HB2 ASN 40 HB2 ASN 40 -14.524 5.720 -13.380 303 HB3 ASN 40 HB3 ASN 40 -13.772 7.178 -12.752 304 HD21 ASN 40 HD21 ASN 40 -12.503 8.432 -14.088 305 HD22 ASN 40 HD22 ASN 40 -12.442 8.194 -15.809 306 H TRP 41 H TRP 41 -11.769 6.273 -10.445 307 HA TRP 41 HA TRP 41 -9.797 8.127 -11.526 308 HD1 TRP 41 HD1 TRP 41 -9.724 11.063 -10.382 309 HE1 TRP 41 HE1 TRP 41 -7.916 12.097 -8.880 310 HE3 TRP 41 HE3 TRP 41 -9.208 7.257 -7.009 311 HZ2 TRP 41 HZ2 TRP 41 -6.460 11.394 -6.564 312 HZ3 TRP 41 HZ3 TRP 41 -7.586 7.516 -5.181 313 HH2 TRP 41 HH2 TRP 41 -6.239 9.542 -4.965 314 HB2 TRP 41 HB2 TRP 41 -11.403 9.035 -9.976 315 HB3 TRP 41 HB3 TRP 41 -10.984 7.843 -8.760 316 H ASP 42 H ASP 42 -7.712 8.083 -11.078 317 HA ASP 42 HA ASP 42 -6.584 6.292 -9.118 318 HB2 ASP 42 HB2 ASP 42 -5.124 5.072 -10.608 319 HB3 ASP 42 HB3 ASP 42 -6.788 4.815 -11.107 320 H LYS 43 H LYS 43 -4.383 6.747 -8.684 321 HA LYS 43 HA LYS 43 -3.132 9.036 -9.917 322 HB2 LYS 43 HB2 LYS 43 -4.808 10.133 -8.510 323 HB3 LYS 43 HB3 LYS 43 -4.245 9.236 -7.109 324 HG2 LYS 43 HG2 LYS 43 -2.116 10.397 -7.184 325 HG3 LYS 43 HG3 LYS 43 -2.617 11.251 -8.646 326 HD2 LYS 43 HD2 LYS 43 -4.389 12.366 -7.448 327 HD3 LYS 43 HD3 LYS 43 -4.052 11.423 -5.996 328 HE2 LYS 43 HE2 LYS 43 -1.838 12.464 -5.847 329 HE3 LYS 43 HE3 LYS 43 -2.189 13.414 -7.290 330 HZ1 LYS 43 HZ1 LYS 43 -3.794 14.656 -6.172 331 HZ2 LYS 43 HZ2 LYS 43 -2.540 14.513 -5.037 332 HZ3 LYS 43 HZ3 LYS 43 -3.922 13.545 -4.896 333 H LEU 44 H LEU 44 -0.982 8.872 -9.690 334 HA LEU 44 HA LEU 44 0.062 6.858 -7.837 335 HG LEU 44 HG LEU 44 3.033 7.391 -8.560 336 HB2 LEU 44 HB2 LEU 44 0.630 6.610 -10.214 337 HB3 LEU 44 HB3 LEU 44 1.357 8.206 -10.212 338 HD11 LEU 44 HD11 LEU 44 1.837 4.686 -9.157 339 HD12 LEU 44 HD12 LEU 44 1.699 5.548 -7.625 340 HD13 LEU 44 HD13 LEU 44 3.278 5.001 -8.190 341 HD21 LEU 44 HD21 LEU 44 3.559 7.474 -10.930 342 HD22 LEU 44 HD22 LEU 44 2.874 5.863 -11.152 343 HD23 LEU 44 HD23 LEU 44 4.323 6.077 -10.170 344 H VAL 45 H VAL 45 0.663 7.659 -5.929 345 HA VAL 45 HA VAL 45 2.191 10.183 -5.924 346 HB VAL 45 HB VAL 45 0.378 9.247 -3.691 347 HG11 VAL 45 HG11 VAL 45 1.855 11.850 -4.083 348 HG12 VAL 45 HG12 VAL 45 2.309 10.570 -2.958 349 HG13 VAL 45 HG13 VAL 45 0.796 11.447 -2.730 350 HG21 VAL 45 HG21 VAL 45 -0.048 11.457 -5.699 351 HG22 VAL 45 HG22 VAL 45 -1.092 11.096 -4.323 352 HG23 VAL 45 HG23 VAL 45 -0.928 9.932 -5.638 353 H THR 46 H THR 46 4.216 9.849 -5.338 354 HA THR 46 HA THR 46 5.070 7.453 -4.040 355 HB THR 46 HB THR 46 6.785 9.891 -4.196 356 HG1 THR 46 HG1 THR 46 6.260 8.198 -6.437 357 HG21 THR 46 HG21 THR 46 8.501 8.220 -4.793 358 HG22 THR 46 HG22 THR 46 7.281 6.953 -4.671 359 HG23 THR 46 HG23 THR 46 7.741 7.875 -3.240 360 H PHE 47 H PHE 47 5.289 7.089 -1.965 361 HA PHE 47 HA PHE 47 5.378 9.343 -0.077 362 HD1 PHE 47 HD1 PHE 47 3.420 10.135 1.559 363 HD2 PHE 47 HD2 PHE 47 1.942 7.127 -1.064 364 HE1 PHE 47 HE1 PHE 47 1.369 11.449 1.214 365 HE2 PHE 47 HE2 PHE 47 -0.108 8.439 -1.420 366 HZ PHE 47 HZ PHE 47 -0.396 10.605 -0.278 367 HB2 PHE 47 HB2 PHE 47 3.876 6.730 0.155 368 HB3 PHE 47 HB3 PHE 47 4.264 7.715 1.559 369 H ARG 48 H ARG 48 6.026 8.080 2.195 370 HA ARG 48 HA ARG 48 8.513 6.675 1.567 371 HE ARG 48 HE ARG 48 7.605 9.474 5.273 372 HB2 ARG 48 HB2 ARG 48 7.535 7.902 4.158 373 HB3 ARG 48 HB3 ARG 48 9.067 7.068 3.960 374 HG2 ARG 48 HG2 ARG 48 9.859 8.748 2.442 375 HG3 ARG 48 HG3 ARG 48 8.280 9.536 2.432 376 HD2 ARG 48 HD2 ARG 48 10.093 9.253 4.829 377 HD3 ARG 48 HD3 ARG 48 9.878 10.719 3.871 378 HH11 ARG 48 HH11 ARG 48 9.711 12.229 4.732 379 HH12 ARG 48 HH12 ARG 48 8.686 13.331 5.604 380 HH21 ARG 48 HH21 ARG 48 6.260 10.930 6.400 381 HH22 ARG 48 HH22 ARG 48 6.742 12.598 6.566 382 H LEU 49 H LEU 49 9.034 4.946 3.284 383 HA LEU 49 HA LEU 49 6.994 2.943 3.029 384 HG LEU 49 HG LEU 49 9.875 2.925 1.897 385 HB2 LEU 49 HB2 LEU 49 9.710 2.876 4.339 386 HB3 LEU 49 HB3 LEU 49 8.641 1.492 4.251 387 HD11 LEU 49 HD11 LEU 49 11.448 1.564 3.202 388 HD12 LEU 49 HD12 LEU 49 11.144 0.881 1.605 389 HD13 LEU 49 HD13 LEU 49 10.374 0.176 3.026 390 HD21 LEU 49 HD21 LEU 49 7.665 2.075 1.339 391 HD22 LEU 49 HD22 LEU 49 8.091 0.495 2.000 392 HD23 LEU 49 HD23 LEU 49 8.917 1.103 0.564 393 H SER 50 H SER 50 8.261 4.999 5.527 394 HA SER 50 HA SER 50 6.989 3.692 7.704 395 HG SER 50 HG SER 50 7.495 7.230 6.941 396 HB2 SER 50 HB2 SER 50 7.419 5.958 8.833 397 HB3 SER 50 HB3 SER 50 8.834 5.078 8.250 398 H GLU 51 H GLU 51 5.838 5.548 5.133 399 HA GLU 51 HA GLU 51 3.635 6.755 6.627 400 HB2 GLU 51 HB2 GLU 51 3.779 6.656 3.631 401 HB3 GLU 51 HB3 GLU 51 3.044 7.876 4.658 402 HG2 GLU 51 HG2 GLU 51 5.971 7.418 4.178 403 HG3 GLU 51 HG3 GLU 51 4.997 8.780 3.635 404 H LEU 52 H LEU 52 4.265 3.754 5.247 405 HA LEU 52 HA LEU 52 1.476 3.365 4.411 406 HG LEU 52 HG LEU 52 3.947 4.159 2.591 407 HB2 LEU 52 HB2 LEU 52 3.951 1.891 3.529 408 HB3 LEU 52 HB3 LEU 52 2.328 1.634 2.926 409 HD11 LEU 52 HD11 LEU 52 3.188 2.005 0.624 410 HD12 LEU 52 HD12 LEU 52 4.806 2.342 1.240 411 HD13 LEU 52 HD13 LEU 52 3.988 3.526 0.222 412 HD21 LEU 52 HD21 LEU 52 1.228 3.416 1.518 413 HD22 LEU 52 HD22 LEU 52 2.137 4.871 1.108 414 HD23 LEU 52 HD23 LEU 52 1.561 4.625 2.757 415 H GLU 53 H GLU 53 0.269 1.965 5.439 416 HA GLU 53 HA GLU 53 1.544 -0.121 7.081 417 HB2 GLU 53 HB2 GLU 53 0.041 1.377 8.325 418 HB3 GLU 53 HB3 GLU 53 -1.262 1.013 7.206 419 HG2 GLU 53 HG2 GLU 53 -1.601 -0.219 9.225 420 HG3 GLU 53 HG3 GLU 53 -1.182 -1.345 7.937 421 H ALA 54 H ALA 54 1.622 -2.022 6.075 422 HA ALA 54 HA ALA 54 0.200 -2.705 3.766 423 HB1 ALA 54 HB1 ALA 54 0.958 -4.995 4.182 424 HB2 ALA 54 HB2 ALA 54 1.432 -4.541 5.819 425 HB3 ALA 54 HB3 ALA 54 2.260 -3.833 4.432 426 H VAL 55 H VAL 55 -1.779 -3.499 3.415 427 HA VAL 55 HA VAL 55 -3.610 -3.747 5.637 428 HB VAL 55 HB VAL 55 -4.288 -4.495 2.810 429 HG11 VAL 55 HG11 VAL 55 -6.480 -3.548 3.412 430 HG12 VAL 55 HG12 VAL 55 -5.867 -3.215 5.032 431 HG13 VAL 55 HG13 VAL 55 -5.998 -4.880 4.465 432 HG21 VAL 55 HG21 VAL 55 -3.101 -2.389 2.603 433 HG22 VAL 55 HG22 VAL 55 -4.093 -1.679 3.875 434 HG23 VAL 55 HG23 VAL 55 -4.826 -2.135 2.337 435 H LYS 56 H LYS 56 -5.157 -5.735 5.496 436 HA LYS 56 HA LYS 56 -3.627 -8.052 6.010 437 HB2 LYS 56 HB2 LYS 56 -5.803 -9.164 6.273 438 HB3 LYS 56 HB3 LYS 56 -5.753 -7.642 7.143 439 HG2 LYS 56 HG2 LYS 56 -7.043 -6.569 5.398 440 HG3 LYS 56 HG3 LYS 56 -7.027 -8.054 4.446 441 HD2 LYS 56 HD2 LYS 56 -8.245 -9.197 6.247 442 HD3 LYS 56 HD3 LYS 56 -8.288 -7.689 7.160 443 HE2 LYS 56 HE2 LYS 56 -9.552 -6.640 5.334 444 HE3 LYS 56 HE3 LYS 56 -9.537 -8.167 4.454 445 HZ1 LYS 56 HZ1 LYS 56 -10.765 -7.752 7.127 446 HZ2 LYS 56 HZ2 LYS 56 -10.809 -9.186 6.219 447 HZ3 LYS 56 HZ3 LYS 56 -11.618 -7.804 5.661 448 HA PRO 57 HA PRO 57 -3.268 -9.804 1.927 449 HB2 PRO 57 HB2 PRO 57 -3.539 -12.406 3.324 450 HB3 PRO 57 HB3 PRO 57 -2.239 -11.820 2.283 451 HG2 PRO 57 HG2 PRO 57 -1.911 -12.022 4.924 452 HG3 PRO 57 HG3 PRO 57 -1.191 -10.688 4.001 453 HD2 PRO 57 HD2 PRO 57 -3.627 -10.696 5.738 454 HD3 PRO 57 HD3 PRO 57 -2.376 -9.446 5.554 455 H ILE 58 H ILE 58 -4.578 -10.919 0.415 456 HA ILE 58 HA ILE 58 -7.331 -10.582 0.748 457 HB ILE 58 HB ILE 58 -6.264 -12.602 -1.194 458 HG12 ILE 58 HG12 ILE 58 -6.170 -10.482 -2.767 459 HG13 ILE 58 HG13 ILE 58 -5.882 -9.631 -1.254 460 HG21 ILE 58 HG21 ILE 58 -8.665 -12.356 -1.066 461 HG22 ILE 58 HG22 ILE 58 -8.076 -11.747 -2.612 462 HG23 ILE 58 HG23 ILE 58 -8.522 -10.618 -1.333 463 HD11 ILE 58 HD11 ILE 58 -3.918 -11.023 -0.844 464 HD12 ILE 58 HD12 ILE 58 -3.799 -10.168 -2.382 465 HD13 ILE 58 HD13 ILE 58 -4.214 -11.882 -2.356 466 H LEU 59 H LEU 59 -8.994 -12.081 0.960 467 HA LEU 59 HA LEU 59 -8.301 -14.120 2.892 468 HG LEU 59 HG LEU 59 -11.498 -13.575 0.977 469 HB2 LEU 59 HB2 LEU 59 -10.709 -14.280 3.324 470 HB3 LEU 59 HB3 LEU 59 -10.114 -12.644 3.488 471 HD11 LEU 59 HD11 LEU 59 -12.743 -12.365 3.442 472 HD12 LEU 59 HD12 LEU 59 -13.003 -14.001 2.836 473 HD13 LEU 59 HD13 LEU 59 -13.554 -12.614 1.896 474 HD21 LEU 59 HD21 LEU 59 -11.961 -11.196 0.706 475 HD22 LEU 59 HD22 LEU 59 -10.227 -11.484 0.841 476 HD23 LEU 59 HD23 LEU 59 -11.126 -10.850 2.219 477 H GLU 60 H GLU 60 -7.563 -15.903 1.946 478 HA GLU 60 HA GLU 60 -9.254 -17.160 -0.100 479 HB2 GLU 60 HB2 GLU 60 -6.401 -17.895 0.533 480 HB3 GLU 60 HB3 GLU 60 -7.343 -18.366 -0.874 481 HG2 GLU 60 HG2 GLU 60 -7.397 -15.974 -1.554 482 HG3 GLU 60 HG3 GLU 60 -6.297 -15.624 -0.223 483 H HIS 61 H HIS 61 -6.844 -18.631 1.935 484 HA HIS 61 HA HIS 61 -8.853 -19.863 3.646 485 HD1 HIS 61 HD1 HIS 61 -10.174 -22.568 3.391 486 HD2 HIS 61 HD2 HIS 61 -8.639 -21.373 -0.283 487 HE1 HIS 61 HE1 HIS 61 -11.956 -23.115 1.702 488 HE2 HIS 61 HE2 HIS 61 -10.913 -22.583 -0.532 489 HB2 HIS 61 HB2 HIS 61 -6.938 -21.400 1.889 490 HB3 HIS 61 HB3 HIS 61 -7.598 -22.095 3.365 491 H HIS 62 H HIS 62 -8.137 -20.154 5.696 492 HA HIS 62 HA HIS 62 -5.571 -19.053 6.384 493 HD1 HIS 62 HD1 HIS 62 -5.401 -17.418 8.733 494 HD2 HIS 62 HD2 HIS 62 -6.060 -21.233 10.262 495 HE1 HIS 62 HE1 HIS 62 -3.991 -17.572 10.808 496 HE2 HIS 62 HE2 HIS 62 -4.533 -19.818 11.805 497 HB2 HIS 62 HB2 HIS 62 -7.566 -18.716 7.815 498 HB3 HIS 62 HB3 HIS 62 -7.606 -20.443 8.145 499 H HIS 63 H HIS 63 -4.043 -20.384 5.453 500 HA HIS 63 HA HIS 63 -3.981 -23.207 5.808 501 HD1 HIS 63 HD1 HIS 63 0.246 -23.315 5.328 502 HD2 HIS 63 HD2 HIS 63 -3.220 -24.561 3.391 503 HE1 HIS 63 HE1 HIS 63 0.771 -25.584 4.379 504 HE2 HIS 63 HE2 HIS 63 -1.269 -26.217 3.042 505 HB2 HIS 63 HB2 HIS 63 -2.728 -21.713 4.062 506 HB3 HIS 63 HB3 HIS 63 -1.510 -21.556 5.323 507 H HIS 64 H HIS 64 -2.786 -24.441 7.278 508 HA HIS 64 HA HIS 64 -2.700 -23.258 9.876 509 HD1 HIS 64 HD1 HIS 64 -3.753 -27.803 9.320 510 HD2 HIS 64 HD2 HIS 64 -4.966 -23.886 10.010 511 HE1 HIS 64 HE1 HIS 64 -6.259 -27.878 9.426 512 HE2 HIS 64 HE2 HIS 64 -6.972 -25.464 9.609 513 HB2 HIS 64 HB2 HIS 64 -1.896 -26.019 8.948 514 HB3 HIS 64 HB3 HIS 64 -1.994 -25.519 10.632 515 H HIS 65 H HIS 65 -0.884 -23.450 11.353 516 HA HIS 65 HA HIS 65 1.349 -22.077 10.290 517 HD1 HIS 65 HD1 HIS 65 2.767 -24.615 13.394 518 HD2 HIS 65 HD2 HIS 65 -1.096 -23.234 14.101 519 HE1 HIS 65 HE1 HIS 65 1.794 -26.173 15.110 520 HE2 HIS 65 HE2 HIS 65 -0.596 -25.415 15.407 521 HB2 HIS 65 HB2 HIS 65 2.239 -22.121 12.573 522 HB3 HIS 65 HB3 HIS 65 0.543 -21.657 12.565 523 H HIS 66 H HIS 66 3.606 -22.692 10.864 524 HA HIS 66 HA HIS 66 4.348 -25.136 9.640 525 HD1 HIS 66 HD1 HIS 66 7.138 -24.672 8.117 526 HD2 HIS 66 HD2 HIS 66 7.776 -25.269 12.183 527 HE1 HIS 66 HE1 HIS 66 9.198 -26.100 8.283 528 HE2 HIS 66 HE2 HIS 66 9.700 -26.221 10.740 529 HB2 HIS 66 HB2 HIS 66 5.763 -23.114 9.635 530 HB3 HIS 66 HB3 HIS 66 5.980 -23.263 11.373 Start of MODEL 6 1 HA MET 1 HA MET 1 9.744 -3.592 4.894 2 H1 MET 1 H1 MET 1 9.313 -2.965 7.173 3 H2 MET 1 H2 MET 1 7.647 -3.189 6.939 4 H3 MET 1 H3 MET 1 8.469 -1.976 6.084 5 HB2 MET 1 HB2 MET 1 9.784 -5.291 6.693 6 HB3 MET 1 HB3 MET 1 8.082 -5.621 6.403 7 HG2 MET 1 HG2 MET 1 8.597 -6.397 4.157 8 HG3 MET 1 HG3 MET 1 10.303 -6.035 4.414 9 HE1 MET 1 HE1 MET 1 11.256 -8.606 7.215 10 HE2 MET 1 HE2 MET 1 10.681 -6.956 7.454 11 HE3 MET 1 HE3 MET 1 11.835 -7.309 6.169 12 H ILE 2 H ILE 2 8.770 -2.655 3.185 13 HA ILE 2 HA ILE 2 6.109 -3.703 2.454 14 HB ILE 2 HB ILE 2 7.191 -0.978 1.725 15 HG12 ILE 2 HG12 ILE 2 5.053 -1.735 3.730 16 HG13 ILE 2 HG13 ILE 2 6.649 -1.108 4.120 17 HG21 ILE 2 HG21 ILE 2 5.695 -1.880 0.048 18 HG22 ILE 2 HG22 ILE 2 4.917 -0.554 0.910 19 HG23 ILE 2 HG23 ILE 2 4.486 -2.223 1.283 20 HD11 ILE 2 HD11 ILE 2 6.088 0.993 3.005 21 HD12 ILE 2 HD12 ILE 2 4.967 0.619 4.314 22 HD13 ILE 2 HD13 ILE 2 4.481 0.364 2.640 23 H PHE 3 H PHE 3 5.875 -4.451 0.412 24 HA PHE 3 HA PHE 3 8.271 -4.420 -1.301 25 HD1 PHE 3 HD1 PHE 3 9.961 -6.277 -1.116 26 HD2 PHE 3 HD2 PHE 3 6.607 -7.659 1.107 27 HE1 PHE 3 HE1 PHE 3 11.479 -7.268 0.548 28 HE2 PHE 3 HE2 PHE 3 8.118 -8.650 2.777 29 HZ PHE 3 HZ PHE 3 10.557 -8.455 2.499 30 HB2 PHE 3 HB2 PHE 3 6.258 -6.649 -0.922 31 HB3 PHE 3 HB3 PHE 3 7.557 -6.664 -2.109 32 HA PRO 4 HA PRO 4 5.755 -2.805 -4.591 33 HB2 PRO 4 HB2 PRO 4 7.180 -4.614 -6.437 34 HB3 PRO 4 HB3 PRO 4 7.120 -2.849 -6.421 35 HG2 PRO 4 HG2 PRO 4 9.334 -4.180 -5.704 36 HG3 PRO 4 HG3 PRO 4 8.854 -2.669 -4.908 37 HD2 PRO 4 HD2 PRO 4 8.546 -5.494 -3.957 38 HD3 PRO 4 HD3 PRO 4 9.010 -4.041 -3.044 39 H GLY 5 H GLY 5 3.772 -3.340 -5.265 40 HA2 GLY 5 HA2 GLY 5 2.232 -4.788 -6.387 41 HA3 GLY 5 HA3 GLY 5 3.184 -6.164 -5.848 42 H ALA 6 H ALA 6 3.232 -4.505 -3.171 43 HA ALA 6 HA ALA 6 1.012 -5.986 -2.041 44 HB1 ALA 6 HB1 ALA 6 3.068 -4.260 -0.668 45 HB2 ALA 6 HB2 ALA 6 3.203 -5.998 -0.932 46 HB3 ALA 6 HB3 ALA 6 1.934 -5.360 0.115 47 H THR 7 H THR 7 -0.647 -5.088 -0.808 48 HA THR 7 HA THR 7 -1.481 -2.441 -1.641 49 HB THR 7 HB THR 7 -2.951 -4.272 0.250 50 HG1 THR 7 HG1 THR 7 -3.919 -4.499 -2.227 51 HG21 THR 7 HG21 THR 7 -4.928 -3.145 -0.634 52 HG22 THR 7 HG22 THR 7 -3.916 -2.194 -1.719 53 HG23 THR 7 HG23 THR 7 -3.790 -1.974 0.025 54 H VAL 8 H VAL 8 -1.375 -0.659 -0.388 55 HA VAL 8 HA VAL 8 -0.712 -0.995 2.455 56 HB VAL 8 HB VAL 8 0.757 1.001 2.300 57 HG11 VAL 8 HG11 VAL 8 1.588 -1.311 0.555 58 HG12 VAL 8 HG12 VAL 8 1.702 -1.247 2.315 59 HG13 VAL 8 HG13 VAL 8 2.673 -0.154 1.326 60 HG21 VAL 8 HG21 VAL 8 1.585 1.730 0.117 61 HG22 VAL 8 HG22 VAL 8 -0.153 1.981 0.259 62 HG23 VAL 8 HG23 VAL 8 0.467 0.623 -0.680 63 H ARG 9 H ARG 9 -1.418 0.656 3.822 64 HA ARG 9 HA ARG 9 -3.457 2.427 2.655 65 HE ARG 9 HE ARG 9 -6.970 1.093 5.271 66 HB2 ARG 9 HB2 ARG 9 -4.332 0.832 4.309 67 HB3 ARG 9 HB3 ARG 9 -3.175 1.419 5.494 68 HG2 ARG 9 HG2 ARG 9 -4.244 3.648 5.362 69 HG3 ARG 9 HG3 ARG 9 -5.461 2.960 4.286 70 HD2 ARG 9 HD2 ARG 9 -4.896 2.091 7.120 71 HD3 ARG 9 HD3 ARG 9 -6.267 3.062 6.584 72 HH11 ARG 9 HH11 ARG 9 -4.701 0.634 7.908 73 HH12 ARG 9 HH12 ARG 9 -5.192 -1.009 8.210 74 HH21 ARG 9 HH21 ARG 9 -7.655 -1.048 5.704 75 HH22 ARG 9 HH22 ARG 9 -6.882 -1.962 6.962 76 H VAL 10 H VAL 10 -3.297 4.601 2.990 77 HA VAL 10 HA VAL 10 -0.730 5.598 3.790 78 HB VAL 10 HB VAL 10 -3.229 7.155 3.109 79 HG11 VAL 10 HG11 VAL 10 -1.651 8.980 2.597 80 HG12 VAL 10 HG12 VAL 10 -0.333 7.988 3.218 81 HG13 VAL 10 HG13 VAL 10 -1.622 8.517 4.298 82 HG21 VAL 10 HG21 VAL 10 -2.228 7.378 0.870 83 HG22 VAL 10 HG22 VAL 10 -2.609 5.702 1.271 84 HG23 VAL 10 HG23 VAL 10 -0.942 6.273 1.352 85 H THR 11 H THR 11 -0.179 5.781 5.846 86 HA THR 11 HA THR 11 -2.192 6.463 7.850 87 HB THR 11 HB THR 11 -0.172 6.070 9.423 88 HG1 THR 11 HG1 THR 11 1.316 4.502 8.341 89 HG21 THR 11 HG21 THR 11 -1.314 3.775 7.822 90 HG22 THR 11 HG22 THR 11 -2.067 4.530 9.224 91 HG23 THR 11 HG23 THR 11 -0.552 3.651 9.409 92 H ASN 12 H ASN 12 -0.309 8.080 5.792 93 HA ASN 12 HA ASN 12 0.854 10.083 7.452 94 HB2 ASN 12 HB2 ASN 12 1.704 9.612 5.200 95 HB3 ASN 12 HB3 ASN 12 0.172 10.127 4.501 96 HD21 ASN 12 HD21 ASN 12 3.082 11.140 6.098 97 HD22 ASN 12 HD22 ASN 12 2.956 12.819 5.704 98 H VAL 13 H VAL 13 -0.239 11.539 8.572 99 HA VAL 13 HA VAL 13 -3.018 12.099 7.878 100 HB VAL 13 HB VAL 13 -1.519 13.077 10.304 101 HG11 VAL 13 HG11 VAL 13 -3.745 13.230 11.307 102 HG12 VAL 13 HG12 VAL 13 -4.464 12.683 9.793 103 HG13 VAL 13 HG13 VAL 13 -3.618 14.229 9.860 104 HG21 VAL 13 HG21 VAL 13 -1.352 10.652 10.226 105 HG22 VAL 13 HG22 VAL 13 -3.097 10.526 10.001 106 HG23 VAL 13 HG23 VAL 13 -2.445 11.160 11.514 107 H ASP 14 H ASP 14 -0.004 13.394 7.316 108 HA ASP 14 HA ASP 14 -0.511 16.170 7.459 109 HB2 ASP 14 HB2 ASP 14 1.766 15.428 7.307 110 HB3 ASP 14 HB3 ASP 14 1.451 14.583 5.795 111 H ASP 15 H ASP 15 -1.016 13.773 4.934 112 HA ASP 15 HA ASP 15 -2.282 15.843 3.275 113 HB2 ASP 15 HB2 ASP 15 -0.479 14.334 2.291 114 HB3 ASP 15 HB3 ASP 15 -1.641 13.014 2.421 115 H THR 16 H THR 16 -4.217 14.758 1.926 116 HA THR 16 HA THR 16 -6.133 14.211 4.041 117 HB THR 16 HB THR 16 -6.803 14.640 1.141 118 HG1 THR 16 HG1 THR 16 -5.896 16.494 3.082 119 HG21 THR 16 HG21 THR 16 -8.618 13.992 2.676 120 HG22 THR 16 HG22 THR 16 -8.838 15.629 2.060 121 HG23 THR 16 HG23 THR 16 -8.237 15.374 3.698 122 H TYR 17 H TYR 17 -4.392 12.404 1.762 123 HA TYR 17 HA TYR 17 -6.457 10.483 1.190 124 HD1 TYR 17 HD1 TYR 17 -6.415 9.311 -1.343 125 HD2 TYR 17 HD2 TYR 17 -3.660 12.514 -0.880 126 HE1 TYR 17 HE1 TYR 17 -7.200 10.283 -3.459 127 HE2 TYR 17 HE2 TYR 17 -4.437 13.496 -2.994 128 HH TYR 17 HH TYR 17 -7.261 12.376 -4.611 129 HB2 TYR 17 HB2 TYR 17 -3.525 10.630 0.552 130 HB3 TYR 17 HB3 TYR 17 -4.458 9.172 0.222 131 H TYR 18 H TYR 18 -5.819 10.921 4.003 132 HA TYR 18 HA TYR 18 -4.533 8.587 5.012 133 HD1 TYR 18 HD2 TYR 18 -3.392 8.774 7.447 134 HD2 TYR 18 HD1 TYR 18 -7.578 9.272 8.025 135 HE1 TYR 18 HE2 TYR 18 -3.262 7.438 9.508 136 HE2 TYR 18 HE1 TYR 18 -7.458 7.940 10.088 137 HH TYR 18 HH TYR 18 -4.537 7.156 11.604 138 HB2 TYR 18 HB2 TYR 18 -4.773 10.654 6.341 139 HB3 TYR 18 HB3 TYR 18 -6.521 10.460 6.327 140 H ARG 19 H ARG 19 -5.392 6.642 5.577 141 HA ARG 19 HA ARG 19 -6.814 4.877 5.681 142 HE ARG 19 HE ARG 19 -9.348 6.303 10.086 143 HB2 ARG 19 HB2 ARG 19 -8.846 7.075 5.768 144 HB3 ARG 19 HB3 ARG 19 -9.356 5.404 5.590 145 HG2 ARG 19 HG2 ARG 19 -8.041 4.912 7.689 146 HG3 ARG 19 HG3 ARG 19 -7.893 6.661 7.891 147 HD2 ARG 19 HD2 ARG 19 -10.310 6.887 7.904 148 HD3 ARG 19 HD3 ARG 19 -10.492 5.158 7.618 149 HH11 ARG 19 HH11 ARG 19 -11.158 3.831 8.396 150 HH12 ARG 19 HH12 ARG 19 -11.712 3.063 9.855 151 HH21 ARG 19 HH21 ARG 19 -10.035 5.278 12.006 152 HH22 ARG 19 HH22 ARG 19 -11.057 3.869 11.907 153 H PHE 20 H PHE 20 -6.020 6.333 3.061 154 HA PHE 20 HA PHE 20 -7.981 5.063 1.320 155 HD1 PHE 20 HD1 PHE 20 -7.394 8.454 2.034 156 HD2 PHE 20 HD2 PHE 20 -8.181 6.550 -1.686 157 HE1 PHE 20 HE1 PHE 20 -9.199 10.067 1.597 158 HE2 PHE 20 HE2 PHE 20 -9.991 8.154 -2.131 159 HZ PHE 20 HZ PHE 20 -10.501 9.919 -0.488 160 HB2 PHE 20 HB2 PHE 20 -5.717 6.950 0.850 161 HB3 PHE 20 HB3 PHE 20 -6.291 5.956 -0.473 162 H GLU 21 H GLU 21 -7.401 3.536 -0.232 163 HA GLU 21 HA GLU 21 -5.295 1.727 0.729 164 HB2 GLU 21 HB2 GLU 21 -7.548 1.004 -1.145 165 HB3 GLU 21 HB3 GLU 21 -6.558 -0.073 -0.172 166 HG2 GLU 21 HG2 GLU 21 -8.519 1.903 0.969 167 HG3 GLU 21 HG3 GLU 21 -8.896 0.218 0.629 168 H GLY 22 H GLY 22 -3.510 1.556 -0.493 169 HA2 GLY 22 HA2 GLY 22 -3.770 2.100 -3.384 170 HA3 GLY 22 HA3 GLY 22 -2.490 2.851 -2.443 171 H LEU 23 H LEU 23 -1.952 1.297 -4.670 172 HA LEU 23 HA LEU 23 -0.804 -1.129 -3.446 173 HG LEU 23 HG LEU 23 -0.759 -3.180 -4.710 174 HB2 LEU 23 HB2 LEU 23 -2.583 -1.393 -5.270 175 HB3 LEU 23 HB3 LEU 23 -1.385 -0.763 -6.382 176 HD11 LEU 23 HD11 LEU 23 -2.913 -3.617 -5.801 177 HD12 LEU 23 HD12 LEU 23 -1.621 -4.598 -6.492 178 HD13 LEU 23 HD13 LEU 23 -2.210 -3.179 -7.357 179 HD21 LEU 23 HD21 LEU 23 0.698 -3.707 -6.590 180 HD22 LEU 23 HD22 LEU 23 1.051 -2.094 -5.968 181 HD23 LEU 23 HD23 LEU 23 0.122 -2.282 -7.457 182 H VAL 24 H VAL 24 1.316 -1.178 -3.310 183 HA VAL 24 HA VAL 24 2.953 0.972 -4.167 184 HB VAL 24 HB VAL 24 3.774 -1.779 -3.214 185 HG11 VAL 24 HG11 VAL 24 5.363 0.782 -3.373 186 HG12 VAL 24 HG12 VAL 24 5.582 -0.637 -4.395 187 HG13 VAL 24 HG13 VAL 24 5.919 -0.735 -2.667 188 HG21 VAL 24 HG21 VAL 24 2.377 -0.577 -1.603 189 HG22 VAL 24 HG22 VAL 24 3.470 0.804 -1.690 190 HG23 VAL 24 HG23 VAL 24 4.040 -0.730 -1.032 191 H GLN 25 H GLN 25 3.571 1.371 -6.166 192 HA GLN 25 HA GLN 25 3.545 -0.684 -8.199 193 HB2 GLN 25 HB2 GLN 25 4.449 2.199 -8.298 194 HB3 GLN 25 HB3 GLN 25 4.309 1.139 -9.689 195 HG2 GLN 25 HG2 GLN 25 2.079 2.116 -7.922 196 HG3 GLN 25 HG3 GLN 25 2.406 2.598 -9.584 197 HE21 GLN 25 HE21 GLN 25 1.036 0.209 -7.511 198 HE22 GLN 25 HE22 GLN 25 0.319 -0.762 -8.749 199 H ARG 26 H ARG 26 5.886 1.047 -6.298 200 HA ARG 26 HA ARG 26 7.943 -0.824 -6.786 201 HE ARG 26 HE ARG 26 8.059 3.573 -10.597 202 HB2 ARG 26 HB2 ARG 26 9.531 0.580 -7.926 203 HB3 ARG 26 HB3 ARG 26 8.061 0.546 -8.890 204 HG2 ARG 26 HG2 ARG 26 7.439 2.735 -8.116 205 HG3 ARG 26 HG3 ARG 26 8.793 2.760 -6.986 206 HD2 ARG 26 HD2 ARG 26 9.512 4.050 -8.802 207 HD3 ARG 26 HD3 ARG 26 10.290 2.487 -9.028 208 HH11 ARG 26 HH11 ARG 26 10.487 1.105 -10.106 209 HH12 ARG 26 HH12 ARG 26 10.315 0.423 -11.692 210 HH21 ARG 26 HH21 ARG 26 7.874 2.728 -12.720 211 HH22 ARG 26 HH22 ARG 26 8.846 1.359 -13.190 212 H VAL 27 H VAL 27 9.711 -0.444 -5.441 213 HA VAL 27 HA VAL 27 9.298 1.603 -3.364 214 HB VAL 27 HB VAL 27 10.861 -0.983 -3.165 215 HG11 VAL 27 HG11 VAL 27 10.245 1.091 -1.065 216 HG12 VAL 27 HG12 VAL 27 11.825 0.777 -1.783 217 HG13 VAL 27 HG13 VAL 27 11.052 -0.451 -0.781 218 HG21 VAL 27 HG21 VAL 27 9.103 -1.712 -1.637 219 HG22 VAL 27 HG22 VAL 27 8.444 -1.354 -3.234 220 HG23 VAL 27 HG23 VAL 27 8.231 -0.206 -1.912 221 H SER 28 H SER 28 10.763 3.191 -3.236 222 HA SER 28 HA SER 28 13.319 2.809 -4.644 223 HG SER 28 HG SER 28 14.202 4.667 -5.600 224 HB2 SER 28 HB2 SER 28 11.764 4.205 -5.988 225 HB3 SER 28 HB3 SER 28 11.654 5.341 -4.645 226 H ASP 29 H ASP 29 14.222 2.292 -2.641 227 HA ASP 29 HA ASP 29 15.284 2.668 -0.661 228 HB2 ASP 29 HB2 ASP 29 16.066 5.139 -2.214 229 HB3 ASP 29 HB3 ASP 29 16.910 4.535 -0.792 230 H GLY 30 H GLY 30 13.298 2.938 0.577 231 HA2 GLY 30 HA2 GLY 30 12.710 4.047 2.585 232 HA3 GLY 30 HA3 GLY 30 13.387 5.531 1.932 233 H LYS 31 H LYS 31 11.967 5.229 -0.629 234 HA LYS 31 HA LYS 31 9.282 5.938 0.315 235 HB2 LYS 31 HB2 LYS 31 11.027 6.968 -1.852 236 HB3 LYS 31 HB3 LYS 31 9.303 6.924 -2.168 237 HG2 LYS 31 HG2 LYS 31 9.141 8.125 0.146 238 HG3 LYS 31 HG3 LYS 31 10.826 8.537 -0.183 239 HD2 LYS 31 HD2 LYS 31 10.233 9.640 -2.218 240 HD3 LYS 31 HD3 LYS 31 8.576 9.043 -2.123 241 HE2 LYS 31 HE2 LYS 31 8.355 10.337 0.023 242 HE3 LYS 31 HE3 LYS 31 9.915 11.070 -0.349 243 HZ1 LYS 31 HZ1 LYS 31 8.981 11.918 -2.420 244 HZ2 LYS 31 HZ2 LYS 31 8.091 12.472 -1.082 245 HZ3 LYS 31 HZ3 LYS 31 7.479 11.222 -2.048 246 H ALA 32 H ALA 32 7.508 5.476 -1.181 247 HA ALA 32 HA ALA 32 7.950 3.278 -3.053 248 HB1 ALA 32 HB1 ALA 32 6.066 1.999 -2.128 249 HB2 ALA 32 HB2 ALA 32 5.936 3.160 -0.807 250 HB3 ALA 32 HB3 ALA 32 7.381 2.160 -0.966 251 H ALA 33 H ALA 33 6.623 3.376 -4.806 252 HA ALA 33 HA ALA 33 5.023 5.783 -5.081 253 HB1 ALA 33 HB1 ALA 33 5.628 3.588 -7.069 254 HB2 ALA 33 HB2 ALA 33 6.504 5.110 -6.904 255 HB3 ALA 33 HB3 ALA 33 4.820 5.115 -7.433 256 H VAL 34 H VAL 34 3.062 5.705 -4.200 257 HA VAL 34 HA VAL 34 1.602 3.184 -4.123 258 HB VAL 34 HB VAL 34 0.894 5.846 -2.878 259 HG11 VAL 34 HG11 VAL 34 -0.632 4.539 -1.480 260 HG12 VAL 34 HG12 VAL 34 -0.206 3.084 -2.383 261 HG13 VAL 34 HG13 VAL 34 -1.043 4.411 -3.191 262 HG21 VAL 34 HG21 VAL 34 2.226 3.437 -1.652 263 HG22 VAL 34 HG22 VAL 34 1.696 4.876 -0.780 264 HG23 VAL 34 HG23 VAL 34 2.986 4.996 -1.978 265 H LEU 35 H LEU 35 0.248 2.716 -5.711 266 HA LEU 35 HA LEU 35 -0.995 4.861 -7.251 267 HG LEU 35 HG LEU 35 -2.935 3.239 -8.842 268 HB2 LEU 35 HB2 LEU 35 0.001 2.834 -8.362 269 HB3 LEU 35 HB3 LEU 35 -1.266 1.884 -7.624 270 HD11 LEU 35 HD11 LEU 35 -2.220 4.659 -10.685 271 HD12 LEU 35 HD12 LEU 35 -0.535 4.397 -10.242 272 HD13 LEU 35 HD13 LEU 35 -1.610 5.261 -9.143 273 HD21 LEU 35 HD21 LEU 35 -0.877 1.878 -10.568 274 HD22 LEU 35 HD22 LEU 35 -2.545 2.222 -11.027 275 HD23 LEU 35 HD23 LEU 35 -2.206 1.090 -9.718 276 H PHE 36 H PHE 36 -2.867 5.625 -6.644 277 HA PHE 36 HA PHE 36 -4.538 4.158 -4.777 278 HD1 PHE 36 HD2 PHE 36 -5.121 5.709 -2.498 279 HD2 PHE 36 HD1 PHE 36 -2.760 7.864 -5.305 280 HE1 PHE 36 HE2 PHE 36 -3.699 6.525 -0.666 281 HE2 PHE 36 HE1 PHE 36 -1.332 8.690 -3.478 282 HZ PHE 36 HZ PHE 36 -1.803 8.021 -1.154 283 HB2 PHE 36 HB2 PHE 36 -4.825 6.926 -5.960 284 HB3 PHE 36 HB3 PHE 36 -5.928 6.227 -4.780 285 H GLU 37 H GLU 37 -6.666 3.580 -5.172 286 HA GLU 37 HA GLU 37 -7.556 3.604 -7.962 287 HB2 GLU 37 HB2 GLU 37 -6.380 1.450 -7.406 288 HB3 GLU 37 HB3 GLU 37 -7.594 1.161 -6.172 289 HG2 GLU 37 HG2 GLU 37 -8.354 1.562 -9.041 290 HG3 GLU 37 HG3 GLU 37 -7.827 -0.008 -8.439 291 H ASN 38 H ASN 38 -9.533 4.429 -8.045 292 HA ASN 38 HA ASN 38 -11.397 3.965 -5.825 293 HB2 ASN 38 HB2 ASN 38 -10.192 6.157 -5.509 294 HB3 ASN 38 HB3 ASN 38 -10.896 6.700 -7.025 295 HD21 ASN 38 HD21 ASN 38 -12.000 8.390 -6.028 296 HD22 ASN 38 HD22 ASN 38 -13.390 8.115 -5.033 297 H GLY 39 H GLY 39 -11.396 2.674 -8.265 298 HA2 GLY 39 HA2 GLY 39 -13.308 2.075 -9.559 299 HA3 GLY 39 HA3 GLY 39 -13.858 3.745 -9.467 300 H ASN 40 H ASN 40 -13.360 5.110 -11.058 301 HA ASN 40 HA ASN 40 -11.719 4.116 -13.261 302 HB2 ASN 40 HB2 ASN 40 -13.780 5.023 -14.009 303 HB3 ASN 40 HB3 ASN 40 -13.624 6.437 -12.977 304 HD21 ASN 40 HD21 ASN 40 -12.344 4.841 -15.835 305 HD22 ASN 40 HD22 ASN 40 -11.730 6.280 -16.584 306 H TRP 41 H TRP 41 -11.820 6.566 -10.805 307 HA TRP 41 HA TRP 41 -9.576 8.036 -11.783 308 HD1 TRP 41 HD1 TRP 41 -9.441 11.094 -10.780 309 HE1 TRP 41 HE1 TRP 41 -7.629 12.089 -9.250 310 HE3 TRP 41 HE3 TRP 41 -9.223 7.383 -7.269 311 HZ2 TRP 41 HZ2 TRP 41 -6.292 11.394 -6.866 312 HZ3 TRP 41 HZ3 TRP 41 -7.648 7.625 -5.395 313 HH2 TRP 41 HH2 TRP 41 -6.214 9.590 -5.202 314 HB2 TRP 41 HB2 TRP 41 -11.204 9.151 -10.418 315 HB3 TRP 41 HB3 TRP 41 -10.947 8.030 -9.091 316 H ASP 42 H ASP 42 -7.523 7.968 -11.209 317 HA ASP 42 HA ASP 42 -6.581 6.180 -9.115 318 HB2 ASP 42 HB2 ASP 42 -5.025 4.990 -10.476 319 HB3 ASP 42 HB3 ASP 42 -6.564 4.890 -11.319 320 H LYS 43 H LYS 43 -4.186 6.566 -8.751 321 HA LYS 43 HA LYS 43 -3.017 8.962 -9.784 322 HB2 LYS 43 HB2 LYS 43 -4.708 9.904 -8.223 323 HB3 LYS 43 HB3 LYS 43 -3.955 9.012 -6.908 324 HG2 LYS 43 HG2 LYS 43 -1.904 10.278 -7.202 325 HG3 LYS 43 HG3 LYS 43 -2.622 11.152 -8.557 326 HD2 LYS 43 HD2 LYS 43 -4.374 11.994 -7.034 327 HD3 LYS 43 HD3 LYS 43 -3.560 11.188 -5.692 328 HE2 LYS 43 HE2 LYS 43 -2.981 13.548 -5.763 329 HE3 LYS 43 HE3 LYS 43 -1.569 12.543 -6.079 330 HZ1 LYS 43 HZ1 LYS 43 -3.159 13.603 -8.327 331 HZ2 LYS 43 HZ2 LYS 43 -1.519 13.153 -8.289 332 HZ3 LYS 43 HZ3 LYS 43 -2.024 14.592 -7.550 333 H LEU 44 H LEU 44 -0.840 8.961 -9.445 334 HA LEU 44 HA LEU 44 0.187 6.800 -7.730 335 HG LEU 44 HG LEU 44 3.160 7.203 -8.487 336 HB2 LEU 44 HB2 LEU 44 0.708 6.604 -10.145 337 HB3 LEU 44 HB3 LEU 44 1.529 8.151 -10.075 338 HD11 LEU 44 HD11 LEU 44 3.228 4.800 -8.115 339 HD12 LEU 44 HD12 LEU 44 1.732 4.607 -9.027 340 HD13 LEU 44 HD13 LEU 44 1.727 5.492 -7.500 341 HD21 LEU 44 HD21 LEU 44 3.656 7.217 -10.869 342 HD22 LEU 44 HD22 LEU 44 2.856 5.658 -11.057 343 HD23 LEU 44 HD23 LEU 44 4.330 5.780 -10.099 344 H VAL 45 H VAL 45 0.802 7.581 -5.825 345 HA VAL 45 HA VAL 45 2.368 10.080 -5.795 346 HB VAL 45 HB VAL 45 0.557 9.165 -3.557 347 HG11 VAL 45 HG11 VAL 45 0.954 11.399 -2.655 348 HG12 VAL 45 HG12 VAL 45 2.014 11.765 -4.016 349 HG13 VAL 45 HG13 VAL 45 2.466 10.514 -2.859 350 HG21 VAL 45 HG21 VAL 45 -0.940 10.994 -4.206 351 HG22 VAL 45 HG22 VAL 45 -0.799 9.785 -5.482 352 HG23 VAL 45 HG23 VAL 45 0.068 11.315 -5.615 353 H THR 46 H THR 46 4.348 9.816 -5.062 354 HA THR 46 HA THR 46 5.119 7.317 -3.815 355 HB THR 46 HB THR 46 7.008 9.573 -4.179 356 HG1 THR 46 HG1 THR 46 5.859 9.549 -6.155 357 HG21 THR 46 HG21 THR 46 8.522 7.748 -4.831 358 HG22 THR 46 HG22 THR 46 7.197 6.602 -4.619 359 HG23 THR 46 HG23 THR 46 7.817 7.499 -3.233 360 H PHE 47 H PHE 47 4.848 7.142 -1.741 361 HA PHE 47 HA PHE 47 5.376 9.430 0.042 362 HD1 PHE 47 HD1 PHE 47 3.382 10.499 1.477 363 HD2 PHE 47 HD2 PHE 47 1.801 7.250 -0.770 364 HE1 PHE 47 HE1 PHE 47 1.366 11.822 0.990 365 HE2 PHE 47 HE2 PHE 47 -0.214 8.571 -1.267 366 HZ PHE 47 HZ PHE 47 -0.432 10.860 -0.384 367 HB2 PHE 47 HB2 PHE 47 3.719 6.941 0.497 368 HB3 PHE 47 HB3 PHE 47 4.138 8.071 1.771 369 H ARG 48 H ARG 48 6.085 8.515 2.312 370 HA ARG 48 HA ARG 48 8.449 6.885 1.824 371 HE ARG 48 HE ARG 48 10.675 11.456 3.376 372 HB2 ARG 48 HB2 ARG 48 7.485 8.267 4.339 373 HB3 ARG 48 HB3 ARG 48 9.029 7.450 4.153 374 HG2 ARG 48 HG2 ARG 48 9.825 9.060 2.638 375 HG3 ARG 48 HG3 ARG 48 8.218 9.740 2.392 376 HD2 ARG 48 HD2 ARG 48 8.199 10.536 4.701 377 HD3 ARG 48 HD3 ARG 48 9.799 9.841 4.957 378 HH11 ARG 48 HH11 ARG 48 7.381 12.055 4.474 379 HH12 ARG 48 HH12 ARG 48 7.465 13.762 4.140 380 HH21 ARG 48 HH21 ARG 48 10.763 13.699 2.982 381 HH22 ARG 48 HH22 ARG 48 9.375 14.686 3.311 382 H LEU 49 H LEU 49 8.932 5.101 3.312 383 HA LEU 49 HA LEU 49 6.780 3.232 3.279 384 HG LEU 49 HG LEU 49 9.641 3.290 2.028 385 HB2 LEU 49 HB2 LEU 49 9.546 3.013 4.478 386 HB3 LEU 49 HB3 LEU 49 8.428 1.678 4.275 387 HD11 LEU 49 HD11 LEU 49 11.298 1.914 3.162 388 HD12 LEU 49 HD12 LEU 49 10.932 1.267 1.562 389 HD13 LEU 49 HD13 LEU 49 10.255 0.502 3.000 390 HD21 LEU 49 HD21 LEU 49 7.436 2.429 1.461 391 HD22 LEU 49 HD22 LEU 49 7.920 0.813 1.978 392 HD23 LEU 49 HD23 LEU 49 8.692 1.562 0.579 393 H SER 50 H SER 50 8.248 5.307 5.610 394 HA SER 50 HA SER 50 7.013 4.080 7.892 395 HG SER 50 HG SER 50 8.327 7.745 7.615 396 HB2 SER 50 HB2 SER 50 7.825 6.241 8.999 397 HB3 SER 50 HB3 SER 50 9.067 5.198 8.305 398 H GLU 51 H GLU 51 6.000 6.063 5.374 399 HA GLU 51 HA GLU 51 3.907 7.365 6.996 400 HB2 GLU 51 HB2 GLU 51 4.604 7.803 4.086 401 HB3 GLU 51 HB3 GLU 51 3.466 8.749 5.037 402 HG2 GLU 51 HG2 GLU 51 5.301 9.451 6.501 403 HG3 GLU 51 HG3 GLU 51 6.431 8.550 5.491 404 H LEU 52 H LEU 52 4.305 4.522 5.574 405 HA LEU 52 HA LEU 52 1.490 4.295 4.762 406 HG LEU 52 HG LEU 52 3.609 5.276 2.790 407 HB2 LEU 52 HB2 LEU 52 3.888 2.896 3.573 408 HB3 LEU 52 HB3 LEU 52 2.221 2.624 3.122 409 HD11 LEU 52 HD11 LEU 52 3.854 4.702 0.443 410 HD12 LEU 52 HD12 LEU 52 3.170 3.105 0.746 411 HD13 LEU 52 HD13 LEU 52 4.720 3.549 1.457 412 HD21 LEU 52 HD21 LEU 52 1.166 5.378 2.904 413 HD22 LEU 52 HD22 LEU 52 1.054 4.173 1.622 414 HD23 LEU 52 HD23 LEU 52 1.748 5.758 1.284 415 H GLU 53 H GLU 53 0.485 2.306 5.286 416 HA GLU 53 HA GLU 53 2.125 0.478 6.907 417 HB2 GLU 53 HB2 GLU 53 0.123 -0.206 8.107 418 HB3 GLU 53 HB3 GLU 53 0.344 1.531 8.248 419 HG2 GLU 53 HG2 GLU 53 -1.413 1.972 6.732 420 HG3 GLU 53 HG3 GLU 53 -1.504 0.282 6.239 421 H ALA 54 H ALA 54 2.469 -1.425 6.008 422 HA ALA 54 HA ALA 54 1.153 -2.133 3.555 423 HB1 ALA 54 HB1 ALA 54 2.638 -4.078 3.562 424 HB2 ALA 54 HB2 ALA 54 3.161 -3.676 5.198 425 HB3 ALA 54 HB3 ALA 54 3.534 -2.589 3.860 426 H VAL 55 H VAL 55 -0.659 -3.287 3.391 427 HA VAL 55 HA VAL 55 -1.731 -4.587 5.762 428 HB VAL 55 HB VAL 55 -3.036 -4.739 3.071 429 HG11 VAL 55 HG11 VAL 55 -4.015 -5.980 4.921 430 HG12 VAL 55 HG12 VAL 55 -5.088 -4.685 4.385 431 HG13 VAL 55 HG13 VAL 55 -4.140 -4.492 5.862 432 HG21 VAL 55 HG21 VAL 55 -4.155 -2.587 3.490 433 HG22 VAL 55 HG22 VAL 55 -2.413 -2.398 3.282 434 HG23 VAL 55 HG23 VAL 55 -3.120 -2.337 4.898 435 H LYS 56 H LYS 56 -2.708 -6.810 5.388 436 HA LYS 56 HA LYS 56 -2.272 -9.025 5.270 437 HB2 LYS 56 HB2 LYS 56 -2.523 -8.682 2.846 438 HB3 LYS 56 HB3 LYS 56 -0.814 -8.291 2.733 439 HG2 LYS 56 HG2 LYS 56 -0.370 -10.606 3.673 440 HG3 LYS 56 HG3 LYS 56 -2.077 -10.938 3.378 441 HD2 LYS 56 HD2 LYS 56 -0.811 -11.741 1.509 442 HD3 LYS 56 HD3 LYS 56 -1.720 -10.319 0.997 443 HE2 LYS 56 HE2 LYS 56 0.230 -8.939 1.135 444 HE3 LYS 56 HE3 LYS 56 1.162 -10.241 1.876 445 HZ1 LYS 56 HZ1 LYS 56 0.114 -10.154 -0.904 446 HZ2 LYS 56 HZ2 LYS 56 0.830 -11.518 -0.204 447 HZ3 LYS 56 HZ3 LYS 56 1.742 -10.109 -0.422 448 HA PRO 57 HA PRO 57 1.646 -8.893 7.496 449 HB2 PRO 57 HB2 PRO 57 0.841 -11.695 8.046 450 HB3 PRO 57 HB3 PRO 57 1.302 -10.414 9.173 451 HG2 PRO 57 HG2 PRO 57 -1.243 -11.179 8.938 452 HG3 PRO 57 HG3 PRO 57 -0.816 -9.474 9.177 453 HD2 PRO 57 HD2 PRO 57 -1.637 -10.889 6.670 454 HD3 PRO 57 HD3 PRO 57 -2.075 -9.265 7.244 455 H ILE 58 H ILE 58 3.676 -9.824 7.162 456 HA ILE 58 HA ILE 58 4.212 -10.857 4.597 457 HB ILE 58 HB ILE 58 6.079 -11.139 6.952 458 HG12 ILE 58 HG12 ILE 58 6.986 -8.872 5.961 459 HG13 ILE 58 HG13 ILE 58 5.333 -8.687 5.393 460 HG21 ILE 58 HG21 ILE 58 6.805 -12.266 4.945 461 HG22 ILE 58 HG22 ILE 58 7.824 -10.857 5.239 462 HG23 ILE 58 HG23 ILE 58 6.570 -10.795 4.002 463 HD11 ILE 58 HD11 ILE 58 4.542 -8.893 7.711 464 HD12 ILE 58 HD12 ILE 58 5.639 -7.532 7.484 465 HD13 ILE 58 HD13 ILE 58 6.218 -9.009 8.251 466 H LEU 59 H LEU 59 5.260 -12.948 4.145 467 HA LEU 59 HA LEU 59 5.250 -15.218 4.068 468 HG LEU 59 HG LEU 59 4.126 -17.412 5.892 469 HB2 LEU 59 HB2 LEU 59 5.915 -15.057 6.490 470 HB3 LEU 59 HB3 LEU 59 4.219 -15.157 6.913 471 HD11 LEU 59 HD11 LEU 59 6.221 -18.556 5.347 472 HD12 LEU 59 HD12 LEU 59 7.099 -17.042 5.581 473 HD13 LEU 59 HD13 LEU 59 5.918 -17.186 4.278 474 HD21 LEU 59 HD21 LEU 59 6.237 -17.041 8.011 475 HD22 LEU 59 HD22 LEU 59 5.386 -18.545 7.655 476 HD23 LEU 59 HD23 LEU 59 4.498 -17.156 8.281 477 H GLU 60 H GLU 60 3.443 -17.112 4.783 478 HA GLU 60 HA GLU 60 1.008 -16.144 3.507 479 HB2 GLU 60 HB2 GLU 60 1.752 -18.977 4.255 480 HB3 GLU 60 HB3 GLU 60 0.451 -18.474 3.186 481 HG2 GLU 60 HG2 GLU 60 2.141 -17.554 1.631 482 HG3 GLU 60 HG3 GLU 60 3.405 -18.189 2.681 483 H HIS 61 H HIS 61 -1.060 -16.445 4.439 484 HA HIS 61 HA HIS 61 -1.393 -15.900 7.103 485 HD1 HIS 61 HD1 HIS 61 -3.098 -16.231 3.257 486 HD2 HIS 61 HD2 HIS 61 -4.102 -19.434 5.710 487 HE1 HIS 61 HE1 HIS 61 -3.870 -18.054 1.707 488 HE2 HIS 61 HE2 HIS 61 -4.288 -20.042 3.193 489 HB2 HIS 61 HB2 HIS 61 -3.727 -16.875 6.853 490 HB3 HIS 61 HB3 HIS 61 -3.283 -15.609 5.717 491 H HIS 62 H HIS 62 -1.307 -16.943 8.949 492 HA HIS 62 HA HIS 62 -0.984 -19.864 8.896 493 HD1 HIS 62 HD1 HIS 62 1.124 -17.748 12.430 494 HD2 HIS 62 HD2 HIS 62 1.313 -16.254 8.551 495 HE1 HIS 62 HE1 HIS 62 1.867 -15.353 12.656 496 HE2 HIS 62 HE2 HIS 62 2.101 -14.508 10.289 497 HB2 HIS 62 HB2 HIS 62 0.816 -19.534 10.684 498 HB3 HIS 62 HB3 HIS 62 1.259 -19.122 9.034 499 H HIS 63 H HIS 63 -1.080 -20.782 11.171 500 HA HIS 63 HA HIS 63 -3.614 -19.948 12.226 501 HD1 HIS 63 HD1 HIS 63 -3.770 -24.220 13.693 502 HD2 HIS 63 HD2 HIS 63 -5.266 -20.933 11.626 503 HE1 HIS 63 HE1 HIS 63 -6.158 -24.791 13.144 504 HE2 HIS 63 HE2 HIS 63 -6.984 -22.872 11.734 505 HB2 HIS 63 HB2 HIS 63 -2.001 -22.309 12.267 506 HB3 HIS 63 HB3 HIS 63 -2.406 -21.878 13.925 507 H HIS 64 H HIS 64 -3.817 -18.323 13.612 508 HA HIS 64 HA HIS 64 -1.643 -17.357 15.194 509 HD1 HIS 64 HD1 HIS 64 -5.934 -17.523 16.303 510 HD2 HIS 64 HD2 HIS 64 -4.886 -15.612 12.759 511 HE1 HIS 64 HE1 HIS 64 -8.014 -17.504 14.897 512 HE2 HIS 64 HE2 HIS 64 -7.409 -16.164 12.852 513 HB2 HIS 64 HB2 HIS 64 -3.644 -16.040 16.322 514 HB3 HIS 64 HB3 HIS 64 -3.037 -15.603 14.733 515 H HIS 65 H HIS 65 -2.153 -16.898 17.644 516 HA HIS 65 HA HIS 65 -1.988 -19.420 18.919 517 HD1 HIS 65 HD1 HIS 65 0.642 -18.473 20.873 518 HD2 HIS 65 HD2 HIS 65 -0.809 -15.351 18.533 519 HE1 HIS 65 HE1 HIS 65 2.671 -17.208 20.086 520 HE2 HIS 65 HE2 HIS 65 1.757 -15.233 18.807 521 HB2 HIS 65 HB2 HIS 65 -2.565 -16.769 20.264 522 HB3 HIS 65 HB3 HIS 65 -1.867 -18.203 21.006 523 H HIS 66 H HIS 66 -4.367 -16.845 19.480 524 HA HIS 66 HA HIS 66 -6.395 -18.917 19.978 525 HD1 HIS 66 HD1 HIS 66 -7.132 -18.940 22.926 526 HD2 HIS 66 HD2 HIS 66 -4.278 -15.960 22.420 527 HE1 HIS 66 HE1 HIS 66 -5.639 -19.078 24.943 528 HE2 HIS 66 HE2 HIS 66 -3.789 -17.433 24.484 529 HB2 HIS 66 HB2 HIS 66 -6.434 -15.975 20.708 530 HB3 HIS 66 HB3 HIS 66 -7.699 -17.138 21.085 Start of MODEL 7 1 HA MET 1 HA MET 1 9.809 -3.982 4.820 2 H1 MET 1 H1 MET 1 8.959 -4.527 7.019 3 H2 MET 1 H2 MET 1 7.547 -5.156 6.316 4 H3 MET 1 H3 MET 1 7.918 -3.509 6.149 5 HB2 MET 1 HB2 MET 1 10.260 -6.336 4.118 6 HB3 MET 1 HB3 MET 1 10.555 -6.029 5.824 7 HG2 MET 1 HG2 MET 1 8.258 -6.987 6.261 8 HG3 MET 1 HG3 MET 1 8.263 -7.517 4.578 9 HE1 MET 1 HE1 MET 1 10.257 -9.137 3.590 10 HE2 MET 1 HE2 MET 1 11.514 -9.825 4.623 11 HE3 MET 1 HE3 MET 1 11.472 -8.087 4.326 12 H ILE 2 H ILE 2 9.172 -3.224 2.938 13 HA ILE 2 HA ILE 2 6.569 -4.129 1.899 14 HB ILE 2 HB ILE 2 7.962 -1.502 1.358 15 HG12 ILE 2 HG12 ILE 2 5.680 -2.143 3.243 16 HG13 ILE 2 HG13 ILE 2 7.312 -1.693 3.720 17 HG21 ILE 2 HG21 ILE 2 5.175 -2.463 0.741 18 HG22 ILE 2 HG22 ILE 2 6.460 -2.130 -0.422 19 HG23 ILE 2 HG23 ILE 2 5.750 -0.812 0.511 20 HD11 ILE 2 HD11 ILE 2 6.992 0.507 2.708 21 HD12 ILE 2 HD12 ILE 2 5.786 0.169 3.949 22 HD13 ILE 2 HD13 ILE 2 5.354 0.047 2.244 23 H PHE 3 H PHE 3 6.312 -4.630 -0.232 24 HA PHE 3 HA PHE 3 8.692 -4.629 -1.959 25 HD1 PHE 3 HD1 PHE 3 10.387 -6.714 -1.994 26 HD2 PHE 3 HD2 PHE 3 7.078 -7.782 0.460 27 HE1 PHE 3 HE1 PHE 3 11.925 -7.774 -0.394 28 HE2 PHE 3 HE2 PHE 3 8.610 -8.847 2.067 29 HZ PHE 3 HZ PHE 3 11.039 -8.842 1.641 30 HB2 PHE 3 HB2 PHE 3 6.698 -6.893 -1.649 31 HB3 PHE 3 HB3 PHE 3 7.984 -6.839 -2.848 32 HA PRO 4 HA PRO 4 5.987 -2.839 -4.994 33 HB2 PRO 4 HB2 PRO 4 7.247 -4.530 -7.056 34 HB3 PRO 4 HB3 PRO 4 7.216 -2.769 -6.914 35 HG2 PRO 4 HG2 PRO 4 9.454 -4.170 -6.453 36 HG3 PRO 4 HG3 PRO 4 9.058 -2.717 -5.518 37 HD2 PRO 4 HD2 PRO 4 8.758 -5.600 -4.757 38 HD3 PRO 4 HD3 PRO 4 9.329 -4.230 -3.779 39 H GLY 5 H GLY 5 3.922 -3.379 -5.202 40 HA2 GLY 5 HA2 GLY 5 2.224 -4.723 -6.267 41 HA3 GLY 5 HA3 GLY 5 3.246 -6.131 -6.014 42 H ALA 6 H ALA 6 3.585 -4.440 -3.263 43 HA ALA 6 HA ALA 6 1.645 -6.127 -1.890 44 HB1 ALA 6 HB1 ALA 6 3.806 -4.364 -0.736 45 HB2 ALA 6 HB2 ALA 6 3.975 -6.081 -1.099 46 HB3 ALA 6 HB3 ALA 6 2.840 -5.550 0.142 47 H THR 7 H THR 7 0.227 -5.290 -0.284 48 HA THR 7 HA THR 7 -0.863 -2.694 -1.030 49 HB THR 7 HB THR 7 -2.027 -4.635 0.964 50 HG1 THR 7 HG1 THR 7 -1.770 -4.866 -1.773 51 HG21 THR 7 HG21 THR 7 -4.150 -3.602 0.278 52 HG22 THR 7 HG22 THR 7 -3.272 -2.539 -0.822 53 HG23 THR 7 HG23 THR 7 -3.025 -2.404 0.919 54 H VAL 8 H VAL 8 -0.751 -0.925 0.245 55 HA VAL 8 HA VAL 8 0.277 -1.285 2.978 56 HB VAL 8 HB VAL 8 1.445 0.908 2.737 57 HG11 VAL 8 HG11 VAL 8 2.682 -1.174 2.605 58 HG12 VAL 8 HG12 VAL 8 3.357 0.010 1.484 59 HG13 VAL 8 HG13 VAL 8 2.334 -1.293 0.880 60 HG21 VAL 8 HG21 VAL 8 0.199 1.790 0.841 61 HG22 VAL 8 HG22 VAL 8 0.856 0.520 -0.193 62 HG23 VAL 8 HG23 VAL 8 1.928 1.742 0.490 63 H ARG 9 H ARG 9 -0.223 0.485 4.425 64 HA ARG 9 HA ARG 9 -2.680 1.928 3.679 65 HE ARG 9 HE ARG 9 -6.108 2.160 7.884 66 HB2 ARG 9 HB2 ARG 9 -3.004 -0.045 5.256 67 HB3 ARG 9 HB3 ARG 9 -2.063 0.853 6.437 68 HG2 ARG 9 HG2 ARG 9 -3.708 2.560 6.573 69 HG3 ARG 9 HG3 ARG 9 -4.580 1.912 5.181 70 HD2 ARG 9 HD2 ARG 9 -4.970 -0.175 6.490 71 HD3 ARG 9 HD3 ARG 9 -4.257 0.626 7.889 72 HH11 ARG 9 HH11 ARG 9 -6.464 -0.656 5.822 73 HH12 ARG 9 HH12 ARG 9 -8.195 -0.520 5.744 74 HH21 ARG 9 HH21 ARG 9 -8.374 2.321 7.785 75 HH22 ARG 9 HH22 ARG 9 -9.278 1.188 6.827 76 H VAL 10 H VAL 10 -2.619 4.078 4.058 77 HA VAL 10 HA VAL 10 -0.107 5.253 4.669 78 HB VAL 10 HB VAL 10 -2.800 6.616 4.457 79 HG11 VAL 10 HG11 VAL 10 -1.487 8.627 3.955 80 HG12 VAL 10 HG12 VAL 10 0.000 7.724 4.242 81 HG13 VAL 10 HG13 VAL 10 -1.132 8.000 5.566 82 HG21 VAL 10 HG21 VAL 10 -0.692 6.179 2.337 83 HG22 VAL 10 HG22 VAL 10 -2.201 7.071 2.140 84 HG23 VAL 10 HG23 VAL 10 -2.237 5.333 2.437 85 H THR 11 H THR 11 0.706 5.240 6.626 86 HA THR 11 HA THR 11 -0.989 5.336 8.981 87 HB THR 11 HB THR 11 2.032 5.267 8.906 88 HG1 THR 11 HG1 THR 11 0.231 3.049 8.867 89 HG21 THR 11 HG21 THR 11 0.037 4.243 10.930 90 HG22 THR 11 HG22 THR 11 0.995 5.715 11.088 91 HG23 THR 11 HG23 THR 11 1.790 4.140 11.062 92 H ASN 12 H ASN 12 0.819 7.475 7.023 93 HA ASN 12 HA ASN 12 1.533 9.427 8.943 94 HB2 ASN 12 HB2 ASN 12 2.584 9.352 6.735 95 HB3 ASN 12 HB3 ASN 12 1.044 9.727 5.972 96 HD21 ASN 12 HD21 ASN 12 1.914 11.560 5.011 97 HD22 ASN 12 HD22 ASN 12 2.236 13.003 5.904 98 H VAL 13 H VAL 13 0.101 10.356 10.214 99 HA VAL 13 HA VAL 13 -2.663 10.618 9.517 100 HB VAL 13 HB VAL 13 -1.242 11.871 11.863 101 HG11 VAL 13 HG11 VAL 13 -3.481 12.735 11.470 102 HG12 VAL 13 HG12 VAL 13 -3.431 11.767 12.945 103 HG13 VAL 13 HG13 VAL 13 -4.127 11.094 11.468 104 HG21 VAL 13 HG21 VAL 13 -0.753 9.501 11.850 105 HG22 VAL 13 HG22 VAL 13 -2.462 9.122 11.645 106 HG23 VAL 13 HG23 VAL 13 -1.895 9.870 13.137 107 H ASP 14 H ASP 14 0.125 12.585 9.291 108 HA ASP 14 HA ASP 14 -1.069 15.148 9.347 109 HB2 ASP 14 HB2 ASP 14 1.312 14.839 9.730 110 HB3 ASP 14 HB3 ASP 14 1.518 14.191 8.108 111 H ASP 15 H ASP 15 -0.787 12.728 6.897 112 HA ASP 15 HA ASP 15 -1.222 14.586 4.714 113 HB2 ASP 15 HB2 ASP 15 0.256 12.509 4.585 114 HB3 ASP 15 HB3 ASP 15 -1.235 11.574 4.534 115 H THR 16 H THR 16 -2.972 14.071 3.109 116 HA THR 16 HA THR 16 -5.497 13.991 4.515 117 HB THR 16 HB THR 16 -5.122 14.212 1.527 118 HG1 THR 16 HG1 THR 16 -4.378 16.182 1.782 119 HG21 THR 16 HG21 THR 16 -7.191 15.531 1.673 120 HG22 THR 16 HG22 THR 16 -7.230 15.270 3.415 121 HG23 THR 16 HG23 THR 16 -7.414 13.903 2.316 122 H TYR 17 H TYR 17 -3.530 11.853 2.622 123 HA TYR 17 HA TYR 17 -5.732 10.072 1.986 124 HD1 TYR 17 HD1 TYR 17 -5.597 9.082 -0.705 125 HD2 TYR 17 HD2 TYR 17 -2.482 11.834 0.200 126 HE1 TYR 17 HE1 TYR 17 -5.988 10.220 -2.850 127 HE2 TYR 17 HE2 TYR 17 -2.865 12.982 -1.939 128 HH TYR 17 HH TYR 17 -5.613 12.412 -3.879 129 HB2 TYR 17 HB2 TYR 17 -2.755 9.859 1.516 130 HB3 TYR 17 HB3 TYR 17 -3.903 8.609 1.053 131 H TYR 18 H TYR 18 -4.853 10.682 4.785 132 HA TYR 18 HA TYR 18 -3.696 8.387 5.936 133 HD1 TYR 18 HD2 TYR 18 -2.973 7.926 8.099 134 HD2 TYR 18 HD1 TYR 18 -6.426 10.159 9.199 135 HE1 TYR 18 HE2 TYR 18 -3.058 6.731 10.244 136 HE2 TYR 18 HE1 TYR 18 -6.517 8.966 11.345 137 HH TYR 18 HH TYR 18 -3.961 6.796 12.355 138 HB2 TYR 18 HB2 TYR 18 -3.759 10.472 7.162 139 HB3 TYR 18 HB3 TYR 18 -5.518 10.495 7.112 140 H ARG 19 H ARG 19 -4.506 6.490 6.516 141 HA ARG 19 HA ARG 19 -5.918 4.783 6.955 142 HE ARG 19 HE ARG 19 -7.710 6.159 11.341 143 HB2 ARG 19 HB2 ARG 19 -7.989 6.955 6.943 144 HB3 ARG 19 HB3 ARG 19 -8.447 5.261 7.045 145 HG2 ARG 19 HG2 ARG 19 -6.941 5.084 9.047 146 HG3 ARG 19 HG3 ARG 19 -6.800 6.844 8.994 147 HD2 ARG 19 HD2 ARG 19 -9.142 7.117 9.337 148 HD3 ARG 19 HD3 ARG 19 -9.434 5.392 9.117 149 HH11 ARG 19 HH11 ARG 19 -10.900 5.230 10.258 150 HH12 ARG 19 HH12 ARG 19 -11.430 4.712 11.828 151 HH21 ARG 19 HH21 ARG 19 -8.397 5.507 13.406 152 HH22 ARG 19 HH22 ARG 19 -10.012 4.889 13.626 153 H PHE 20 H PHE 20 -5.627 6.341 4.116 154 HA PHE 20 HA PHE 20 -7.537 4.746 2.644 155 HD1 PHE 20 HD2 PHE 20 -6.834 8.340 3.127 156 HD2 PHE 20 HD1 PHE 20 -8.338 6.094 -0.156 157 HE1 PHE 20 HE2 PHE 20 -8.722 9.905 2.933 158 HE2 PHE 20 HE1 PHE 20 -10.233 7.653 -0.362 159 HZ PHE 20 HZ PHE 20 -10.427 9.563 1.185 160 HB2 PHE 20 HB2 PHE 20 -5.427 6.730 1.857 161 HB3 PHE 20 HB3 PHE 20 -6.168 5.689 0.652 162 H GLU 21 H GLU 21 -6.868 3.262 0.975 163 HA GLU 21 HA GLU 21 -4.442 1.779 1.731 164 HB2 GLU 21 HB2 GLU 21 -7.060 0.688 0.675 165 HB3 GLU 21 HB3 GLU 21 -5.638 -0.269 1.067 166 HG2 GLU 21 HG2 GLU 21 -5.843 0.278 3.393 167 HG3 GLU 21 HG3 GLU 21 -7.157 1.402 3.054 168 H GLY 22 H GLY 22 -3.129 1.034 0.083 169 HA2 GLY 22 HA2 GLY 22 -4.011 1.210 -2.671 170 HA3 GLY 22 HA3 GLY 22 -2.774 2.381 -2.224 171 H LEU 23 H LEU 23 -2.272 0.531 -4.190 172 HA LEU 23 HA LEU 23 -0.610 -1.493 -2.885 173 HG LEU 23 HG LEU 23 -1.889 -3.430 -3.523 174 HB2 LEU 23 HB2 LEU 23 -1.831 -1.266 -5.614 175 HB3 LEU 23 HB3 LEU 23 -0.478 -2.330 -5.328 176 HD11 LEU 23 HD11 LEU 23 -4.073 -1.886 -4.910 177 HD12 LEU 23 HD12 LEU 23 -3.543 -1.676 -3.240 178 HD13 LEU 23 HD13 LEU 23 -4.312 -3.184 -3.738 179 HD21 LEU 23 HD21 LEU 23 -1.464 -4.461 -5.684 180 HD22 LEU 23 HD22 LEU 23 -2.825 -3.582 -6.382 181 HD23 LEU 23 HD23 LEU 23 -3.107 -4.797 -5.134 182 H VAL 24 H VAL 24 1.532 -1.379 -2.987 183 HA VAL 24 HA VAL 24 2.815 0.951 -4.020 184 HB VAL 24 HB VAL 24 4.048 -1.646 -3.059 185 HG11 VAL 24 HG11 VAL 24 5.261 1.098 -3.428 186 HG12 VAL 24 HG12 VAL 24 5.589 -0.326 -4.418 187 HG13 VAL 24 HG13 VAL 24 6.073 -0.299 -2.721 188 HG21 VAL 24 HG21 VAL 24 4.390 -0.436 -0.946 189 HG22 VAL 24 HG22 VAL 24 2.680 -0.616 -1.336 190 HG23 VAL 24 HG23 VAL 24 3.485 0.932 -1.592 191 H GLN 25 H GLN 25 3.308 1.317 -6.053 192 HA GLN 25 HA GLN 25 3.229 -0.861 -7.974 193 HB2 GLN 25 HB2 GLN 25 3.697 2.104 -8.311 194 HB3 GLN 25 HB3 GLN 25 3.588 0.959 -9.632 195 HG2 GLN 25 HG2 GLN 25 1.429 1.770 -7.713 196 HG3 GLN 25 HG3 GLN 25 1.493 2.051 -9.452 197 HE21 GLN 25 HE21 GLN 25 0.771 -0.205 -6.937 198 HE22 GLN 25 HE22 GLN 25 0.057 -1.417 -7.945 199 H ARG 26 H ARG 26 5.533 1.158 -6.396 200 HA ARG 26 HA ARG 26 7.721 -0.458 -7.283 201 HE ARG 26 HE ARG 26 9.665 3.673 -8.125 202 HB2 ARG 26 HB2 ARG 26 8.989 1.629 -8.100 203 HB3 ARG 26 HB3 ARG 26 7.824 0.890 -9.187 204 HG2 ARG 26 HG2 ARG 26 6.229 2.592 -8.779 205 HG3 ARG 26 HG3 ARG 26 7.168 3.239 -7.433 206 HD2 ARG 26 HD2 ARG 26 8.201 3.151 -10.258 207 HD3 ARG 26 HD3 ARG 26 7.296 4.519 -9.610 208 HH11 ARG 26 HH11 ARG 26 8.248 5.871 -10.456 209 HH12 ARG 26 HH12 ARG 26 9.425 7.118 -10.200 210 HH21 ARG 26 HH21 ARG 26 11.214 5.330 -7.760 211 HH22 ARG 26 HH22 ARG 26 11.119 6.807 -8.679 212 H VAL 27 H VAL 27 9.095 -0.621 -5.684 213 HA VAL 27 HA VAL 27 9.042 1.348 -3.520 214 HB VAL 27 HB VAL 27 10.382 -1.365 -3.599 215 HG11 VAL 27 HG11 VAL 27 9.956 0.546 -1.305 216 HG12 VAL 27 HG12 VAL 27 11.496 0.170 -2.074 217 HG13 VAL 27 HG13 VAL 27 10.633 -1.079 -1.179 218 HG21 VAL 27 HG21 VAL 27 8.588 -2.087 -2.102 219 HG22 VAL 27 HG22 VAL 27 7.954 -1.555 -3.659 220 HG23 VAL 27 HG23 VAL 27 7.829 -0.503 -2.252 221 H SER 28 H SER 28 10.518 2.883 -3.506 222 HA SER 28 HA SER 28 13.060 2.447 -4.906 223 HG SER 28 HG SER 28 11.275 3.569 -6.068 224 HB2 SER 28 HB2 SER 28 11.825 5.027 -3.893 225 HB3 SER 28 HB3 SER 28 13.290 4.886 -4.871 226 H ASP 29 H ASP 29 14.831 3.948 -3.654 227 HA ASP 29 HA ASP 29 15.180 2.605 -1.154 228 HB2 ASP 29 HB2 ASP 29 17.049 3.185 -2.793 229 HB3 ASP 29 HB3 ASP 29 16.912 4.840 -2.206 230 H GLY 30 H GLY 30 13.316 3.424 -0.107 231 HA2 GLY 30 HA2 GLY 30 13.320 4.715 2.044 232 HA3 GLY 30 HA3 GLY 30 13.782 6.099 1.066 233 H LYS 31 H LYS 31 11.980 5.333 -1.128 234 HA LYS 31 HA LYS 31 9.444 6.084 0.133 235 HB2 LYS 31 HB2 LYS 31 10.769 7.050 -2.389 236 HB3 LYS 31 HB3 LYS 31 9.052 7.231 -2.121 237 HG2 LYS 31 HG2 LYS 31 9.475 8.559 -0.128 238 HG3 LYS 31 HG3 LYS 31 11.211 8.335 -0.349 239 HD2 LYS 31 HD2 LYS 31 11.080 9.505 -2.501 240 HD3 LYS 31 HD3 LYS 31 9.345 9.733 -2.269 241 HE2 LYS 31 HE2 LYS 31 9.759 11.080 -0.299 242 HE3 LYS 31 HE3 LYS 31 11.492 10.796 -0.436 243 HZ1 LYS 31 HZ1 LYS 31 11.570 12.034 -2.448 244 HZ2 LYS 31 HZ2 LYS 31 10.730 12.977 -1.317 245 HZ3 LYS 31 HZ3 LYS 31 9.878 12.150 -2.529 246 H ALA 32 H ALA 32 7.525 5.480 -1.057 247 HA ALA 32 HA ALA 32 7.856 3.319 -3.020 248 HB1 ALA 32 HB1 ALA 32 6.145 1.976 -1.907 249 HB2 ALA 32 HB2 ALA 32 6.041 3.164 -0.607 250 HB3 ALA 32 HB3 ALA 32 7.525 2.240 -0.843 251 H ALA 33 H ALA 33 6.356 3.387 -4.649 252 HA ALA 33 HA ALA 33 4.677 5.764 -4.677 253 HB1 ALA 33 HB1 ALA 33 5.342 3.795 -6.862 254 HB2 ALA 33 HB2 ALA 33 6.082 5.377 -6.613 255 HB3 ALA 33 HB3 ALA 33 4.382 5.258 -7.070 256 H VAL 34 H VAL 34 2.736 5.580 -3.839 257 HA VAL 34 HA VAL 34 1.383 3.000 -3.834 258 HB VAL 34 HB VAL 34 0.563 5.598 -2.514 259 HG11 VAL 34 HG11 VAL 34 -1.310 4.083 -2.883 260 HG12 VAL 34 HG12 VAL 34 -0.917 4.193 -1.168 261 HG13 VAL 34 HG13 VAL 34 -0.422 2.778 -2.096 262 HG21 VAL 34 HG21 VAL 34 2.699 4.775 -1.657 263 HG22 VAL 34 HG22 VAL 34 1.965 3.204 -1.335 264 HG23 VAL 34 HG23 VAL 34 1.420 4.630 -0.451 265 H LEU 35 H LEU 35 -0.183 2.508 -5.199 266 HA LEU 35 HA LEU 35 -1.140 4.555 -7.034 267 HG LEU 35 HG LEU 35 -3.285 2.969 -8.391 268 HB2 LEU 35 HB2 LEU 35 -0.404 2.308 -7.840 269 HB3 LEU 35 HB3 LEU 35 -1.758 1.608 -6.983 270 HD11 LEU 35 HD11 LEU 35 -0.762 3.612 -9.896 271 HD12 LEU 35 HD12 LEU 35 -1.787 4.749 -9.020 272 HD13 LEU 35 HD13 LEU 35 -2.400 3.938 -10.461 273 HD21 LEU 35 HD21 LEU 35 -3.042 1.587 -10.390 274 HD22 LEU 35 HD22 LEU 35 -2.855 0.644 -8.911 275 HD23 LEU 35 HD23 LEU 35 -1.434 1.102 -9.852 276 H PHE 36 H PHE 36 -2.944 5.609 -6.671 277 HA PHE 36 HA PHE 36 -5.086 4.287 -5.147 278 HD1 PHE 36 HD2 PHE 36 -5.480 5.486 -2.627 279 HD2 PHE 36 HD1 PHE 36 -2.681 7.782 -4.868 280 HE1 PHE 36 HE2 PHE 36 -4.109 5.781 -0.604 281 HE2 PHE 36 HE1 PHE 36 -1.302 8.079 -2.853 282 HZ PHE 36 HZ PHE 36 -2.015 7.079 -0.715 283 HB2 PHE 36 HB2 PHE 36 -4.781 7.221 -5.805 284 HB3 PHE 36 HB3 PHE 36 -6.052 6.513 -4.825 285 H GLU 37 H GLU 37 -7.004 3.911 -6.135 286 HA GLU 37 HA GLU 37 -7.376 4.822 -8.876 287 HB2 GLU 37 HB2 GLU 37 -6.072 2.697 -8.961 288 HB3 GLU 37 HB3 GLU 37 -7.398 1.894 -8.132 289 HG2 GLU 37 HG2 GLU 37 -8.882 2.408 -10.006 290 HG3 GLU 37 HG3 GLU 37 -7.549 3.212 -10.835 291 H ASN 38 H ASN 38 -9.427 5.286 -9.275 292 HA ASN 38 HA ASN 38 -11.524 4.046 -7.636 293 HB2 ASN 38 HB2 ASN 38 -10.916 6.309 -6.708 294 HB3 ASN 38 HB3 ASN 38 -11.406 7.010 -8.244 295 HD21 ASN 38 HD21 ASN 38 -13.582 7.104 -8.771 296 HD22 ASN 38 HD22 ASN 38 -14.826 6.864 -7.590 297 H GLY 39 H GLY 39 -11.635 2.806 -9.650 298 HA2 GLY 39 HA2 GLY 39 -12.808 2.253 -11.538 299 HA3 GLY 39 HA3 GLY 39 -13.779 3.694 -11.271 300 H ASN 40 H ASN 40 -13.353 5.524 -12.414 301 HA ASN 40 HA ASN 40 -11.685 5.183 -14.766 302 HB2 ASN 40 HB2 ASN 40 -14.004 6.104 -14.894 303 HB3 ASN 40 HB3 ASN 40 -13.465 7.500 -13.971 304 HD21 ASN 40 HD21 ASN 40 -13.920 8.958 -15.574 305 HD22 ASN 40 HD22 ASN 40 -13.021 9.053 -17.048 306 H TRP 41 H TRP 41 -11.597 6.720 -11.709 307 HA TRP 41 HA TRP 41 -9.562 8.647 -12.505 308 HD1 TRP 41 HD1 TRP 41 -9.467 11.455 -11.223 309 HE1 TRP 41 HE1 TRP 41 -7.821 12.383 -9.470 310 HE3 TRP 41 HE3 TRP 41 -9.509 7.542 -7.925 311 HZ2 TRP 41 HZ2 TRP 41 -6.693 11.556 -7.018 312 HZ3 TRP 41 HZ3 TRP 41 -8.117 7.689 -5.899 313 HH2 TRP 41 HH2 TRP 41 -6.739 9.658 -5.459 314 HB2 TRP 41 HB2 TRP 41 -11.295 9.454 -11.030 315 HB3 TRP 41 HB3 TRP 41 -10.967 8.179 -9.865 316 H ASP 42 H ASP 42 -7.512 8.707 -11.678 317 HA ASP 42 HA ASP 42 -6.563 6.553 -9.982 318 HB2 ASP 42 HB2 ASP 42 -4.902 5.712 -11.464 319 HB3 ASP 42 HB3 ASP 42 -6.409 5.710 -12.367 320 H LYS 43 H LYS 43 -4.425 6.914 -9.197 321 HA LYS 43 HA LYS 43 -2.908 9.199 -9.998 322 HB2 LYS 43 HB2 LYS 43 -4.754 9.477 -7.781 323 HB3 LYS 43 HB3 LYS 43 -3.092 9.704 -7.255 324 HG2 LYS 43 HG2 LYS 43 -2.812 11.368 -9.093 325 HG3 LYS 43 HG3 LYS 43 -4.537 11.210 -9.419 326 HD2 LYS 43 HD2 LYS 43 -5.029 11.957 -7.132 327 HD3 LYS 43 HD3 LYS 43 -3.298 12.138 -6.827 328 HE2 LYS 43 HE2 LYS 43 -4.933 13.639 -8.872 329 HE3 LYS 43 HE3 LYS 43 -4.292 14.289 -7.364 330 HZ1 LYS 43 HZ1 LYS 43 -2.938 14.886 -9.298 331 HZ2 LYS 43 HZ2 LYS 43 -2.637 13.245 -9.604 332 HZ3 LYS 43 HZ3 LYS 43 -2.062 13.961 -8.178 333 H LEU 44 H LEU 44 -0.810 8.834 -9.625 334 HA LEU 44 HA LEU 44 -0.115 6.647 -7.782 335 HG LEU 44 HG LEU 44 2.901 6.806 -8.247 336 HB2 LEU 44 HB2 LEU 44 0.591 6.355 -10.133 337 HB3 LEU 44 HB3 LEU 44 1.507 7.848 -10.034 338 HD11 LEU 44 HD11 LEU 44 1.395 4.314 -9.024 339 HD12 LEU 44 HD12 LEU 44 1.326 5.134 -7.463 340 HD13 LEU 44 HD13 LEU 44 2.824 4.371 -7.995 341 HD21 LEU 44 HD21 LEU 44 3.658 6.868 -10.571 342 HD22 LEU 44 HD22 LEU 44 2.829 5.343 -10.885 343 HD23 LEU 44 HD23 LEU 44 4.190 5.391 -9.765 344 H VAL 45 H VAL 45 0.307 7.486 -5.835 345 HA VAL 45 HA VAL 45 1.870 9.978 -5.733 346 HB VAL 45 HB VAL 45 -0.007 8.961 -3.593 347 HG11 VAL 45 HG11 VAL 45 0.251 11.232 -2.676 348 HG12 VAL 45 HG12 VAL 45 1.432 11.589 -3.935 349 HG13 VAL 45 HG13 VAL 45 1.777 10.353 -2.727 350 HG21 VAL 45 HG21 VAL 45 -0.453 11.133 -5.642 351 HG22 VAL 45 HG22 VAL 45 -1.527 10.752 -4.296 352 HG23 VAL 45 HG23 VAL 45 -1.274 9.574 -5.584 353 H THR 46 H THR 46 3.871 9.709 -5.087 354 HA THR 46 HA THR 46 4.699 7.266 -3.794 355 HB THR 46 HB THR 46 6.453 9.650 -4.278 356 HG1 THR 46 HG1 THR 46 5.269 9.137 -6.227 357 HG21 THR 46 HG21 THR 46 8.171 7.927 -4.624 358 HG22 THR 46 HG22 THR 46 6.965 6.680 -4.300 359 HG23 THR 46 HG23 THR 46 7.429 7.810 -3.028 360 H PHE 47 H PHE 47 5.060 6.998 -1.717 361 HA PHE 47 HA PHE 47 5.212 9.350 0.052 362 HD1 PHE 47 HD1 PHE 47 3.098 10.162 1.669 363 HD2 PHE 47 HD2 PHE 47 1.932 6.869 -0.759 364 HE1 PHE 47 HE1 PHE 47 0.951 11.270 1.206 365 HE2 PHE 47 HE2 PHE 47 -0.213 7.973 -1.234 366 HZ PHE 47 HZ PHE 47 -0.708 10.177 -0.252 367 HB2 PHE 47 HB2 PHE 47 3.834 6.709 0.594 368 HB3 PHE 47 HB3 PHE 47 4.175 7.905 1.833 369 H ARG 48 H ARG 48 6.107 8.454 2.315 370 HA ARG 48 HA ARG 48 8.592 7.082 1.605 371 HE ARG 48 HE ARG 48 11.060 9.826 4.239 372 HB2 ARG 48 HB2 ARG 48 7.823 8.608 4.097 373 HB3 ARG 48 HB3 ARG 48 9.393 7.880 3.804 374 HG2 ARG 48 HG2 ARG 48 9.900 9.366 2.072 375 HG3 ARG 48 HG3 ARG 48 8.224 9.896 1.925 376 HD2 ARG 48 HD2 ARG 48 9.590 11.588 3.017 377 HD3 ARG 48 HD3 ARG 48 8.363 10.962 4.115 378 HH11 ARG 48 HH11 ARG 48 8.571 11.863 5.643 379 HH12 ARG 48 HH12 ARG 48 9.327 11.922 7.208 380 HH21 ARG 48 HH21 ARG 48 12.054 9.914 6.308 381 HH22 ARG 48 HH22 ARG 48 11.283 10.817 7.581 382 H LEU 49 H LEU 49 9.463 5.565 3.276 383 HA LEU 49 HA LEU 49 7.551 3.441 3.500 384 HG LEU 49 HG LEU 49 10.225 3.718 1.889 385 HB2 LEU 49 HB2 LEU 49 10.451 3.575 4.329 386 HB3 LEU 49 HB3 LEU 49 9.472 2.122 4.340 387 HD11 LEU 49 HD11 LEU 49 11.146 1.014 2.851 388 HD12 LEU 49 HD12 LEU 49 12.105 2.494 2.842 389 HD13 LEU 49 HD13 LEU 49 11.584 1.772 1.320 390 HD21 LEU 49 HD21 LEU 49 8.027 2.682 1.656 391 HD22 LEU 49 HD22 LEU 49 8.701 1.127 2.140 392 HD23 LEU 49 HD23 LEU 49 9.217 1.880 0.632 393 H SER 50 H SER 50 8.890 5.830 5.580 394 HA SER 50 HA SER 50 8.094 4.457 8.000 395 HG SER 50 HG SER 50 9.911 8.094 7.734 396 HB2 SER 50 HB2 SER 50 8.782 6.709 9.030 397 HB3 SER 50 HB3 SER 50 10.054 5.759 8.263 398 H GLU 51 H GLU 51 6.607 6.220 5.592 399 HA GLU 51 HA GLU 51 4.600 7.378 7.414 400 HB2 GLU 51 HB2 GLU 51 4.876 7.685 4.422 401 HB3 GLU 51 HB3 GLU 51 3.767 8.574 5.461 402 HG2 GLU 51 HG2 GLU 51 5.668 9.584 6.617 403 HG3 GLU 51 HG3 GLU 51 6.772 8.703 5.564 404 H LEU 52 H LEU 52 5.123 4.578 5.724 405 HA LEU 52 HA LEU 52 2.248 4.019 5.514 406 HG LEU 52 HG LEU 52 3.891 5.313 3.228 407 HB2 LEU 52 HB2 LEU 52 4.478 2.941 3.789 408 HB3 LEU 52 HB3 LEU 52 2.784 2.545 3.642 409 HD11 LEU 52 HD11 LEU 52 3.639 4.886 0.841 410 HD12 LEU 52 HD12 LEU 52 3.181 3.217 1.182 411 HD13 LEU 52 HD13 LEU 52 4.807 3.784 1.568 412 HD21 LEU 52 HD21 LEU 52 1.211 4.091 2.573 413 HD22 LEU 52 HD22 LEU 52 1.731 5.720 2.147 414 HD23 LEU 52 HD23 LEU 52 1.537 5.270 3.840 415 H GLU 53 H GLU 53 1.581 1.945 6.153 416 HA GLU 53 HA GLU 53 3.687 0.244 7.316 417 HB2 GLU 53 HB2 GLU 53 2.021 -0.758 8.753 418 HB3 GLU 53 HB3 GLU 53 1.988 0.986 8.961 419 HG2 GLU 53 HG2 GLU 53 -0.012 1.181 7.697 420 HG3 GLU 53 HG3 GLU 53 0.083 -0.503 7.182 421 H ALA 54 H ALA 54 3.627 -1.983 6.861 422 HA ALA 54 HA ALA 54 2.530 -2.502 4.217 423 HB1 ALA 54 HB1 ALA 54 4.880 -3.040 4.644 424 HB2 ALA 54 HB2 ALA 54 3.953 -4.474 4.207 425 HB3 ALA 54 HB3 ALA 54 4.389 -4.184 5.891 426 H VAL 55 H VAL 55 0.773 -3.622 3.862 427 HA VAL 55 HA VAL 55 -0.396 -5.229 6.028 428 HB VAL 55 HB VAL 55 -1.763 -4.598 3.412 429 HG11 VAL 55 HG11 VAL 55 -2.847 -6.242 4.827 430 HG12 VAL 55 HG12 VAL 55 -3.805 -4.762 4.776 431 HG13 VAL 55 HG13 VAL 55 -2.815 -5.125 6.191 432 HG21 VAL 55 HG21 VAL 55 -2.743 -2.595 4.427 433 HG22 VAL 55 HG22 VAL 55 -0.992 -2.458 4.271 434 HG23 VAL 55 HG23 VAL 55 -1.713 -2.812 5.841 435 H LYS 56 H LYS 56 -1.769 -7.130 4.726 436 HA LYS 56 HA LYS 56 -1.701 -9.104 3.632 437 HB2 LYS 56 HB2 LYS 56 -1.130 -7.737 1.660 438 HB3 LYS 56 HB3 LYS 56 0.566 -7.861 2.082 439 HG2 LYS 56 HG2 LYS 56 0.558 -10.227 1.648 440 HG3 LYS 56 HG3 LYS 56 -1.191 -10.204 1.392 441 HD2 LYS 56 HD2 LYS 56 -0.823 -8.626 -0.506 442 HD3 LYS 56 HD3 LYS 56 0.913 -8.849 -0.295 443 HE2 LYS 56 HE2 LYS 56 0.712 -11.200 -0.799 444 HE3 LYS 56 HE3 LYS 56 -1.046 -11.065 -0.876 445 HZ1 LYS 56 HZ1 LYS 56 -0.759 -9.510 -2.754 446 HZ2 LYS 56 HZ2 LYS 56 -0.166 -11.058 -3.094 447 HZ3 LYS 56 HZ3 LYS 56 0.914 -9.800 -2.721 448 HA PRO 57 HA PRO 57 1.181 -10.793 6.592 449 HB2 PRO 57 HB2 PRO 57 0.256 -13.367 6.370 450 HB3 PRO 57 HB3 PRO 57 -0.483 -12.128 7.389 451 HG2 PRO 57 HG2 PRO 57 -1.277 -13.067 4.662 452 HG3 PRO 57 HG3 PRO 57 -2.302 -12.661 6.051 453 HD2 PRO 57 HD2 PRO 57 -1.961 -10.963 3.990 454 HD3 PRO 57 HD3 PRO 57 -2.150 -10.387 5.661 455 H ILE 58 H ILE 58 3.113 -11.770 6.452 456 HA ILE 58 HA ILE 58 4.216 -12.404 3.901 457 HB ILE 58 HB ILE 58 5.479 -13.140 6.535 458 HG12 ILE 58 HG12 ILE 58 5.495 -10.400 5.239 459 HG13 ILE 58 HG13 ILE 58 4.626 -10.817 6.711 460 HG21 ILE 58 HG21 ILE 58 6.620 -12.233 3.897 461 HG22 ILE 58 HG22 ILE 58 6.640 -13.876 4.535 462 HG23 ILE 58 HG23 ILE 58 7.563 -12.608 5.340 463 HD11 ILE 58 HD11 ILE 58 6.722 -11.263 7.847 464 HD12 ILE 58 HD12 ILE 58 6.714 -9.632 7.172 465 HD13 ILE 58 HD13 ILE 58 7.614 -10.917 6.366 466 H LEU 59 H LEU 59 5.249 -14.505 3.418 467 HA LEU 59 HA LEU 59 3.351 -16.621 3.983 468 HG LEU 59 HG LEU 59 4.295 -18.281 0.820 469 HB2 LEU 59 HB2 LEU 59 4.240 -16.096 1.672 470 HB3 LEU 59 HB3 LEU 59 5.781 -16.740 2.194 471 HD11 LEU 59 HD11 LEU 59 5.246 -19.226 3.520 472 HD12 LEU 59 HD12 LEU 59 6.193 -19.156 2.034 473 HD13 LEU 59 HD13 LEU 59 4.836 -20.274 2.163 474 HD21 LEU 59 HD21 LEU 59 2.774 -18.426 3.417 475 HD22 LEU 59 HD22 LEU 59 2.541 -19.481 2.022 476 HD23 LEU 59 HD23 LEU 59 2.180 -17.759 1.896 477 H GLU 60 H GLU 60 3.615 -17.755 5.744 478 HA GLU 60 HA GLU 60 6.090 -19.201 6.141 479 HB2 GLU 60 HB2 GLU 60 5.618 -16.929 7.699 480 HB3 GLU 60 HB3 GLU 60 5.089 -18.261 8.714 481 HG2 GLU 60 HG2 GLU 60 7.812 -17.887 7.489 482 HG3 GLU 60 HG3 GLU 60 7.386 -17.765 9.194 483 H HIS 61 H HIS 61 5.466 -20.507 8.469 484 HA HIS 61 HA HIS 61 3.165 -22.071 7.611 485 HD1 HIS 61 HD1 HIS 61 7.226 -22.204 8.522 486 HD2 HIS 61 HD2 HIS 61 4.615 -25.043 6.960 487 HE1 HIS 61 HE1 HIS 61 8.546 -23.452 6.786 488 HE2 HIS 61 HE2 HIS 61 6.866 -24.968 5.678 489 HB2 HIS 61 HB2 HIS 61 5.084 -22.548 9.913 490 HB3 HIS 61 HB3 HIS 61 3.889 -23.692 9.311 491 H HIS 62 H HIS 62 4.260 -21.120 10.837 492 HA HIS 62 HA HIS 62 1.767 -19.745 11.389 493 HD1 HIS 62 HD1 HIS 62 1.578 -24.078 11.565 494 HD2 HIS 62 HD2 HIS 62 -0.918 -20.764 11.863 495 HE1 HIS 62 HE1 HIS 62 -0.589 -24.755 10.473 496 HE2 HIS 62 HE2 HIS 62 -2.147 -22.814 10.874 497 HB2 HIS 62 HB2 HIS 62 2.604 -22.248 12.869 498 HB3 HIS 62 HB3 HIS 62 1.489 -21.068 13.547 499 H HIS 63 H HIS 63 1.890 -18.783 13.674 500 HA HIS 63 HA HIS 63 4.688 -18.020 14.159 501 HD1 HIS 63 HD1 HIS 63 0.822 -15.943 13.250 502 HD2 HIS 63 HD2 HIS 63 1.709 -16.762 17.231 503 HE1 HIS 63 HE1 HIS 63 -1.366 -15.764 14.484 504 HE2 HIS 63 HE2 HIS 63 -0.759 -16.052 16.914 505 HB2 HIS 63 HB2 HIS 63 3.800 -16.038 15.335 506 HB3 HIS 63 HB3 HIS 63 3.271 -16.107 13.660 507 H HIS 64 H HIS 64 5.340 -17.725 16.400 508 HA HIS 64 HA HIS 64 4.425 -20.014 17.941 509 HD1 HIS 64 HD1 HIS 64 9.004 -19.790 18.533 510 HD2 HIS 64 HD2 HIS 64 5.897 -20.566 15.873 511 HE1 HIS 64 HE1 HIS 64 9.995 -21.226 16.722 512 HE2 HIS 64 HE2 HIS 64 8.155 -21.501 15.022 513 HB2 HIS 64 HB2 HIS 64 6.683 -18.059 18.437 514 HB3 HIS 64 HB3 HIS 64 6.347 -19.476 19.421 515 H HIS 65 H HIS 65 3.854 -19.872 20.185 516 HA HIS 65 HA HIS 65 2.083 -17.755 20.810 517 HD1 HIS 65 HD1 HIS 65 3.484 -21.898 22.024 518 HD2 HIS 65 HD2 HIS 65 4.447 -18.646 24.434 519 HE1 HIS 65 HE1 HIS 65 5.385 -22.670 23.480 520 HE2 HIS 65 HE2 HIS 65 5.860 -20.735 25.024 521 HB2 HIS 65 HB2 HIS 65 1.885 -18.777 23.016 522 HB3 HIS 65 HB3 HIS 65 1.853 -20.024 21.778 523 H HIS 66 H HIS 66 2.269 -16.227 22.569 524 HA HIS 66 HA HIS 66 5.028 -15.235 22.780 525 HD1 HIS 66 HD1 HIS 66 1.658 -12.472 21.063 526 HD2 HIS 66 HD2 HIS 66 5.362 -14.313 20.595 527 HE1 HIS 66 HE1 HIS 66 2.248 -12.212 18.631 528 HE2 HIS 66 HE2 HIS 66 4.558 -13.206 18.406 529 HB2 HIS 66 HB2 HIS 66 2.397 -13.772 23.109 530 HB3 HIS 66 HB3 HIS 66 3.987 -13.045 23.324 Start of MODEL 8 1 HA MET 1 HA MET 1 9.610 -3.947 5.022 2 H1 MET 1 H1 MET 1 7.499 -5.015 6.790 3 H2 MET 1 H2 MET 1 7.972 -3.392 6.663 4 H3 MET 1 H3 MET 1 9.055 -4.545 7.274 5 HB2 MET 1 HB2 MET 1 9.788 -6.181 4.110 6 HB3 MET 1 HB3 MET 1 10.062 -6.244 5.843 7 HG2 MET 1 HG2 MET 1 7.505 -6.998 4.437 8 HG3 MET 1 HG3 MET 1 8.712 -8.121 5.054 9 HE1 MET 1 HE1 MET 1 5.604 -8.256 5.733 10 HE2 MET 1 HE2 MET 1 5.638 -8.595 7.463 11 HE3 MET 1 HE3 MET 1 6.768 -9.412 6.382 12 H ILE 2 H ILE 2 8.946 -3.237 3.109 13 HA ILE 2 HA ILE 2 6.203 -3.894 2.239 14 HB ILE 2 HB ILE 2 7.581 -1.233 1.842 15 HG12 ILE 2 HG12 ILE 2 5.285 -1.970 3.675 16 HG13 ILE 2 HG13 ILE 2 6.921 -1.588 4.194 17 HG21 ILE 2 HG21 ILE 2 4.771 -2.114 1.187 18 HG22 ILE 2 HG22 ILE 2 6.063 -1.804 0.026 19 HG23 ILE 2 HG23 ILE 2 5.411 -0.480 0.994 20 HD11 ILE 2 HD11 ILE 2 6.655 0.683 3.318 21 HD12 ILE 2 HD12 ILE 2 5.450 0.294 4.546 22 HD13 ILE 2 HD13 ILE 2 5.004 0.289 2.841 23 H PHE 3 H PHE 3 5.932 -4.305 0.076 24 HA PHE 3 HA PHE 3 8.315 -4.257 -1.635 25 HD1 PHE 3 HD1 PHE 3 10.073 -6.402 -2.019 26 HD2 PHE 3 HD2 PHE 3 7.189 -7.267 0.985 27 HE1 PHE 3 HE1 PHE 3 11.846 -7.337 -0.591 28 HE2 PHE 3 HE2 PHE 3 8.954 -8.200 2.420 29 HZ PHE 3 HZ PHE 3 11.286 -8.237 1.632 30 HB2 PHE 3 HB2 PHE 3 6.493 -6.627 -1.168 31 HB3 PHE 3 HB3 PHE 3 7.632 -6.524 -2.505 32 HA PRO 4 HA PRO 4 5.565 -2.734 -4.775 33 HB2 PRO 4 HB2 PRO 4 7.075 -4.372 -6.712 34 HB3 PRO 4 HB3 PRO 4 6.865 -2.619 -6.647 35 HG2 PRO 4 HG2 PRO 4 9.205 -3.761 -6.033 36 HG3 PRO 4 HG3 PRO 4 8.616 -2.333 -5.163 37 HD2 PRO 4 HD2 PRO 4 8.573 -5.210 -4.329 38 HD3 PRO 4 HD3 PRO 4 8.958 -3.764 -3.368 39 H GLY 5 H GLY 5 3.576 -3.444 -5.173 40 HA2 GLY 5 HA2 GLY 5 2.143 -5.029 -6.354 41 HA3 GLY 5 HA3 GLY 5 3.202 -6.313 -5.787 42 H ALA 6 H ALA 6 2.965 -4.228 -3.280 43 HA ALA 6 HA ALA 6 0.778 -5.791 -2.092 44 HB1 ALA 6 HB1 ALA 6 2.998 -4.295 -0.704 45 HB2 ALA 6 HB2 ALA 6 2.951 -6.036 -0.989 46 HB3 ALA 6 HB3 ALA 6 1.759 -5.281 0.072 47 H THR 7 H THR 7 -0.873 -4.805 -1.014 48 HA THR 7 HA THR 7 -1.407 -2.029 -1.647 49 HB THR 7 HB THR 7 -3.094 -3.840 0.079 50 HG1 THR 7 HG1 THR 7 -4.091 -3.936 -2.323 51 HG21 THR 7 HG21 THR 7 -4.939 -2.488 -0.840 52 HG22 THR 7 HG22 THR 7 -3.766 -1.518 -1.733 53 HG23 THR 7 HG23 THR 7 -3.764 -1.502 0.031 54 H VAL 8 H VAL 8 -1.195 -0.338 -0.251 55 HA VAL 8 HA VAL 8 -0.641 -0.956 2.573 56 HB VAL 8 HB VAL 8 1.032 0.846 2.635 57 HG11 VAL 8 HG11 VAL 8 1.618 -1.295 0.598 58 HG12 VAL 8 HG12 VAL 8 1.810 -1.427 2.347 59 HG13 VAL 8 HG13 VAL 8 2.830 -0.319 1.428 60 HG21 VAL 8 HG21 VAL 8 1.919 1.808 0.580 61 HG22 VAL 8 HG22 VAL 8 0.204 2.173 0.760 62 HG23 VAL 8 HG23 VAL 8 0.721 0.916 -0.362 63 H ARG 9 H ARG 9 -1.268 0.631 4.071 64 HA ARG 9 HA ARG 9 -3.151 2.618 3.001 65 HE ARG 9 HE ARG 9 -4.719 4.137 8.160 66 HB2 ARG 9 HB2 ARG 9 -4.241 1.208 4.595 67 HB3 ARG 9 HB3 ARG 9 -2.912 1.361 5.736 68 HG2 ARG 9 HG2 ARG 9 -3.444 3.716 6.065 69 HG3 ARG 9 HG3 ARG 9 -4.759 3.590 4.898 70 HD2 ARG 9 HD2 ARG 9 -6.037 2.234 6.316 71 HD3 ARG 9 HD3 ARG 9 -4.651 1.840 7.333 72 HH11 ARG 9 HH11 ARG 9 -7.587 2.954 6.508 73 HH12 ARG 9 HH12 ARG 9 -8.638 4.111 7.270 74 HH21 ARG 9 HH21 ARG 9 -6.121 5.630 9.161 75 HH22 ARG 9 HH22 ARG 9 -7.814 5.623 8.766 76 H VAL 10 H VAL 10 -2.778 4.744 3.246 77 HA VAL 10 HA VAL 10 -0.249 5.716 3.970 78 HB VAL 10 HB VAL 10 -2.848 7.263 3.908 79 HG11 VAL 10 HG11 VAL 10 0.014 8.178 3.686 80 HG12 VAL 10 HG12 VAL 10 -1.088 8.488 5.027 81 HG13 VAL 10 HG13 VAL 10 -1.402 9.200 3.444 82 HG21 VAL 10 HG21 VAL 10 -2.248 7.829 1.602 83 HG22 VAL 10 HG22 VAL 10 -2.485 6.092 1.810 84 HG23 VAL 10 HG23 VAL 10 -0.853 6.753 1.708 85 H THR 11 H THR 11 0.615 5.718 5.924 86 HA THR 11 HA THR 11 -1.132 5.848 8.271 87 HB THR 11 HB THR 11 1.841 5.320 8.288 88 HG1 THR 11 HG1 THR 11 0.028 3.844 7.060 89 HG21 THR 11 HG21 THR 11 1.307 4.094 10.340 90 HG22 THR 11 HG22 THR 11 -0.400 4.486 10.136 91 HG23 THR 11 HG23 THR 11 0.768 5.770 10.450 92 H ASN 12 H ASN 12 0.737 7.817 6.343 93 HA ASN 12 HA ASN 12 1.792 9.599 8.313 94 HB2 ASN 12 HB2 ASN 12 2.835 9.453 6.114 95 HB3 ASN 12 HB3 ASN 12 1.337 9.959 5.339 96 HD21 ASN 12 HD21 ASN 12 2.375 11.709 4.373 97 HD22 ASN 12 HD22 ASN 12 2.828 13.114 5.270 98 H VAL 13 H VAL 13 0.572 10.853 9.535 99 HA VAL 13 HA VAL 13 -2.163 11.403 8.999 100 HB VAL 13 HB VAL 13 -0.399 12.810 10.998 101 HG11 VAL 13 HG11 VAL 13 -3.374 12.325 10.951 102 HG12 VAL 13 HG12 VAL 13 -2.559 13.866 10.675 103 HG13 VAL 13 HG13 VAL 13 -2.479 13.096 12.261 104 HG21 VAL 13 HG21 VAL 13 -1.922 10.230 11.332 105 HG22 VAL 13 HG22 VAL 13 -1.069 11.098 12.608 106 HG23 VAL 13 HG23 VAL 13 -0.168 10.401 11.261 107 H ASP 14 H ASP 14 0.801 13.039 8.288 108 HA ASP 14 HA ASP 14 -0.190 15.671 7.961 109 HB2 ASP 14 HB2 ASP 14 2.165 15.359 8.216 110 HB3 ASP 14 HB3 ASP 14 2.230 14.238 6.863 111 H ASP 15 H ASP 15 -0.214 12.864 5.921 112 HA ASP 15 HA ASP 15 -0.521 14.304 3.464 113 HB2 ASP 15 HB2 ASP 15 0.543 12.124 3.452 114 HB3 ASP 15 HB3 ASP 15 -0.914 11.379 4.109 115 H THR 16 H THR 16 -2.375 14.047 2.037 116 HA THR 16 HA THR 16 -4.806 14.620 3.534 117 HB THR 16 HB THR 16 -4.363 14.885 0.554 118 HG1 THR 16 HG1 THR 16 -3.055 16.469 1.064 119 HG21 THR 16 HG21 THR 16 -6.699 14.974 1.294 120 HG22 THR 16 HG22 THR 16 -6.153 16.546 0.709 121 HG23 THR 16 HG23 THR 16 -6.287 16.248 2.443 122 H TYR 17 H TYR 17 -3.398 12.008 1.883 123 HA TYR 17 HA TYR 17 -5.997 10.793 1.284 124 HD1 TYR 17 HD1 TYR 17 -6.093 10.314 -1.557 125 HD2 TYR 17 HD2 TYR 17 -2.177 11.529 -0.431 126 HE1 TYR 17 HE1 TYR 17 -5.937 11.687 -3.594 127 HE2 TYR 17 HE2 TYR 17 -2.010 12.902 -2.457 128 HH TYR 17 HH TYR 17 -4.664 13.675 -4.403 129 HB2 TYR 17 HB2 TYR 17 -3.224 9.738 0.700 130 HB3 TYR 17 HB3 TYR 17 -4.740 9.054 0.128 131 H TYR 18 H TYR 18 -4.793 11.270 3.977 132 HA TYR 18 HA TYR 18 -3.898 8.824 5.069 133 HD1 TYR 18 HD2 TYR 18 -2.629 8.487 7.054 134 HD2 TYR 18 HD1 TYR 18 -5.728 10.940 8.625 135 HE1 TYR 18 HE2 TYR 18 -2.427 7.345 9.222 136 HE2 TYR 18 HE1 TYR 18 -5.528 9.811 10.796 137 HH TYR 18 HH TYR 18 -2.922 7.802 11.598 138 HB2 TYR 18 HB2 TYR 18 -3.379 10.958 6.127 139 HB3 TYR 18 HB3 TYR 18 -5.087 11.245 6.439 140 H ARG 19 H ARG 19 -5.425 7.384 4.208 141 HA ARG 19 HA ARG 19 -7.096 6.175 5.956 142 HE ARG 19 HE ARG 19 -10.681 6.463 3.202 143 HB2 ARG 19 HB2 ARG 19 -9.385 6.681 5.205 144 HB3 ARG 19 HB3 ARG 19 -8.621 8.097 5.909 145 HG2 ARG 19 HG2 ARG 19 -8.401 9.156 3.848 146 HG3 ARG 19 HG3 ARG 19 -8.613 7.651 2.950 147 HD2 ARG 19 HD2 ARG 19 -10.763 8.940 4.624 148 HD3 ARG 19 HD3 ARG 19 -10.584 9.189 2.886 149 HH11 ARG 19 HH11 ARG 19 -12.777 9.123 4.121 150 HH12 ARG 19 HH12 ARG 19 -14.236 8.196 3.931 151 HH21 ARG 19 HH21 ARG 19 -12.590 5.254 2.969 152 HH22 ARG 19 HH22 ARG 19 -14.134 6.006 3.240 153 H PHE 20 H PHE 20 -6.290 7.000 2.706 154 HA PHE 20 HA PHE 20 -7.786 4.900 1.468 155 HD1 PHE 20 HD2 PHE 20 -8.934 5.714 -0.928 156 HD2 PHE 20 HD1 PHE 20 -6.710 8.835 0.919 157 HE1 PHE 20 HE2 PHE 20 -10.775 7.282 -1.374 158 HE2 PHE 20 HE1 PHE 20 -8.544 10.415 0.470 159 HZ PHE 20 HZ PHE 20 -10.581 9.637 -0.678 160 HB2 PHE 20 HB2 PHE 20 -5.673 6.778 0.430 161 HB3 PHE 20 HB3 PHE 20 -6.467 5.573 -0.569 162 H GLU 21 H GLU 21 -6.981 3.139 0.361 163 HA GLU 21 HA GLU 21 -4.368 2.142 1.277 164 HB2 GLU 21 HB2 GLU 21 -6.849 0.540 0.626 165 HB3 GLU 21 HB3 GLU 21 -5.322 -0.103 1.220 166 HG2 GLU 21 HG2 GLU 21 -5.667 0.680 3.354 167 HG3 GLU 21 HG3 GLU 21 -6.759 1.957 2.822 168 H GLY 22 H GLY 22 -2.988 2.178 -0.383 169 HA2 GLY 22 HA2 GLY 22 -4.105 1.847 -3.098 170 HA3 GLY 22 HA3 GLY 22 -2.776 2.930 -2.719 171 H LEU 23 H LEU 23 -2.240 1.358 -4.703 172 HA LEU 23 HA LEU 23 -0.984 -1.087 -3.653 173 HG LEU 23 HG LEU 23 -1.711 -2.813 -6.855 174 HB2 LEU 23 HB2 LEU 23 -2.652 -0.984 -5.663 175 HB3 LEU 23 HB3 LEU 23 -1.275 -0.386 -6.561 176 HD11 LEU 23 HD11 LEU 23 0.936 -2.150 -5.585 177 HD12 LEU 23 HD12 LEU 23 0.507 -1.920 -7.280 178 HD13 LEU 23 HD13 LEU 23 0.598 -3.547 -6.606 179 HD21 LEU 23 HD21 LEU 23 -1.117 -4.351 -5.049 180 HD22 LEU 23 HD22 LEU 23 -2.492 -3.331 -4.621 181 HD23 LEU 23 HD23 LEU 23 -0.894 -2.981 -3.962 182 H VAL 24 H VAL 24 1.177 -1.122 -3.408 183 HA VAL 24 HA VAL 24 2.809 1.081 -4.313 184 HB VAL 24 HB VAL 24 3.618 -1.533 -3.017 185 HG11 VAL 24 HG11 VAL 24 5.205 0.996 -3.467 186 HG12 VAL 24 HG12 VAL 24 5.471 -0.559 -4.260 187 HG13 VAL 24 HG13 VAL 24 5.741 -0.395 -2.524 188 HG21 VAL 24 HG21 VAL 24 3.231 1.216 -1.847 189 HG22 VAL 24 HG22 VAL 24 3.865 -0.185 -0.986 190 HG23 VAL 24 HG23 VAL 24 2.202 -0.191 -1.573 191 H GLN 25 H GLN 25 3.429 1.240 -6.371 192 HA GLN 25 HA GLN 25 3.524 -1.111 -8.056 193 HB2 GLN 25 HB2 GLN 25 3.758 1.809 -8.494 194 HB3 GLN 25 HB3 GLN 25 4.630 0.786 -9.628 195 HG2 GLN 25 HG2 GLN 25 2.505 1.233 -10.567 196 HG3 GLN 25 HG3 GLN 25 2.495 -0.445 -10.029 197 HE21 GLN 25 HE21 GLN 25 0.264 -0.508 -9.904 198 HE22 GLN 25 HE22 GLN 25 -0.604 0.311 -8.648 199 H ARG 26 H ARG 26 5.788 0.913 -6.364 200 HA ARG 26 HA ARG 26 7.933 -0.892 -6.807 201 HE ARG 26 HE ARG 26 7.155 1.567 -10.659 202 HB2 ARG 26 HB2 ARG 26 9.403 0.650 -8.046 203 HB3 ARG 26 HB3 ARG 26 7.987 0.201 -8.987 204 HG2 ARG 26 HG2 ARG 26 6.939 2.350 -8.357 205 HG3 ARG 26 HG3 ARG 26 8.426 2.795 -7.521 206 HD2 ARG 26 HD2 ARG 26 8.517 3.820 -9.649 207 HD3 ARG 26 HD3 ARG 26 9.625 2.453 -9.704 208 HH11 ARG 26 HH11 ARG 26 9.735 3.762 -11.560 209 HH12 ARG 26 HH12 ARG 26 9.366 3.698 -13.264 210 HH21 ARG 26 HH21 ARG 26 6.659 1.495 -12.904 211 HH22 ARG 26 HH22 ARG 26 7.632 2.407 -14.019 212 H VAL 27 H VAL 27 9.298 -0.736 -5.183 213 HA VAL 27 HA VAL 27 9.198 1.550 -3.381 214 HB VAL 27 HB VAL 27 10.753 -1.044 -3.162 215 HG11 VAL 27 HG11 VAL 27 11.850 0.754 -1.945 216 HG12 VAL 27 HG12 VAL 27 11.117 -0.392 -0.824 217 HG13 VAL 27 HG13 VAL 27 10.334 1.156 -1.140 218 HG21 VAL 27 HG21 VAL 27 9.096 -1.634 -1.442 219 HG22 VAL 27 HG22 VAL 27 8.353 -1.412 -3.026 220 HG23 VAL 27 HG23 VAL 27 8.211 -0.151 -1.801 221 H SER 28 H SER 28 10.653 3.153 -3.483 222 HA SER 28 HA SER 28 13.093 2.688 -5.053 223 HG SER 28 HG SER 28 13.778 4.342 -6.415 224 HB2 SER 28 HB2 SER 28 11.357 3.891 -6.387 225 HB3 SER 28 HB3 SER 28 11.387 5.184 -5.190 226 H ASP 29 H ASP 29 14.301 2.493 -3.204 227 HA ASP 29 HA ASP 29 15.646 3.154 -1.512 228 HB2 ASP 29 HB2 ASP 29 15.543 5.750 -3.051 229 HB3 ASP 29 HB3 ASP 29 16.737 5.353 -1.820 230 H GLY 30 H GLY 30 13.825 2.914 -0.013 231 HA2 GLY 30 HA2 GLY 30 13.085 3.677 2.052 232 HA3 GLY 30 HA3 GLY 30 13.707 5.269 1.654 233 H LYS 31 H LYS 31 12.101 5.090 -0.941 234 HA LYS 31 HA LYS 31 9.535 5.863 0.240 235 HB2 LYS 31 HB2 LYS 31 10.887 6.685 -2.337 236 HB3 LYS 31 HB3 LYS 31 9.283 7.186 -1.855 237 HG2 LYS 31 HG2 LYS 31 10.241 8.277 0.135 238 HG3 LYS 31 HG3 LYS 31 11.849 7.825 -0.429 239 HD2 LYS 31 HD2 LYS 31 11.387 10.119 -1.043 240 HD3 LYS 31 HD3 LYS 31 11.452 9.119 -2.497 241 HE2 LYS 31 HE2 LYS 31 8.995 8.997 -2.497 242 HE3 LYS 31 HE3 LYS 31 8.955 10.034 -1.072 243 HZ1 LYS 31 HZ1 LYS 31 9.992 11.794 -2.359 244 HZ2 LYS 31 HZ2 LYS 31 8.554 11.288 -3.095 245 HZ3 LYS 31 HZ3 LYS 31 10.050 10.793 -3.729 246 H ALA 32 H ALA 32 7.632 5.500 -1.226 247 HA ALA 32 HA ALA 32 7.933 3.254 -3.081 248 HB1 ALA 32 HB1 ALA 32 6.053 2.051 -2.068 249 HB2 ALA 32 HB2 ALA 32 5.980 3.253 -0.780 250 HB3 ALA 32 HB3 ALA 32 7.399 2.217 -0.938 251 H ALA 33 H ALA 33 6.439 3.254 -4.743 252 HA ALA 33 HA ALA 33 4.892 5.718 -4.997 253 HB1 ALA 33 HB1 ALA 33 5.568 3.581 -7.020 254 HB2 ALA 33 HB2 ALA 33 6.359 5.147 -6.847 255 HB3 ALA 33 HB3 ALA 33 4.674 5.062 -7.366 256 H VAL 34 H VAL 34 2.911 5.624 -4.191 257 HA VAL 34 HA VAL 34 1.496 3.050 -4.212 258 HB VAL 34 HB VAL 34 0.921 5.535 -2.579 259 HG11 VAL 34 HG11 VAL 34 -0.556 4.080 -1.273 260 HG12 VAL 34 HG12 VAL 34 -0.234 2.755 -2.390 261 HG13 VAL 34 HG13 VAL 34 -1.074 4.199 -2.955 262 HG21 VAL 34 HG21 VAL 34 3.043 4.531 -1.949 263 HG22 VAL 34 HG22 VAL 34 2.268 2.956 -1.785 264 HG23 VAL 34 HG23 VAL 34 1.837 4.269 -0.688 265 H LEU 35 H LEU 35 0.016 2.780 -5.701 266 HA LEU 35 HA LEU 35 -1.213 5.079 -7.011 267 HG LEU 35 HG LEU 35 -3.346 3.536 -8.523 268 HB2 LEU 35 HB2 LEU 35 -0.372 3.167 -8.347 269 HB3 LEU 35 HB3 LEU 35 -1.536 2.138 -7.553 270 HD11 LEU 35 HD11 LEU 35 -1.080 4.751 -10.081 271 HD12 LEU 35 HD12 LEU 35 -2.099 5.576 -8.901 272 HD13 LEU 35 HD13 LEU 35 -2.796 4.991 -10.413 273 HD21 LEU 35 HD21 LEU 35 -1.446 2.207 -10.442 274 HD22 LEU 35 HD22 LEU 35 -3.126 2.608 -10.796 275 HD23 LEU 35 HD23 LEU 35 -2.748 1.429 -9.539 276 H PHE 36 H PHE 36 -2.996 5.878 -6.171 277 HA PHE 36 HA PHE 36 -4.927 4.154 -4.837 278 HD1 PHE 36 HD2 PHE 36 -4.926 5.181 -2.337 279 HD2 PHE 36 HD1 PHE 36 -3.345 8.267 -4.800 280 HE1 PHE 36 HE2 PHE 36 -3.380 5.819 -0.535 281 HE2 PHE 36 HE1 PHE 36 -1.790 8.906 -3.005 282 HZ PHE 36 HZ PHE 36 -1.807 7.684 -0.868 283 HB2 PHE 36 HB2 PHE 36 -5.213 7.087 -5.508 284 HB3 PHE 36 HB3 PHE 36 -6.166 6.164 -4.355 285 H GLU 37 H GLU 37 -6.817 3.493 -5.807 286 HA GLU 37 HA GLU 37 -7.397 4.379 -8.508 287 HB2 GLU 37 HB2 GLU 37 -5.585 2.612 -8.635 288 HB3 GLU 37 HB3 GLU 37 -6.744 1.476 -7.965 289 HG2 GLU 37 HG2 GLU 37 -7.308 2.996 -10.485 290 HG3 GLU 37 HG3 GLU 37 -6.381 1.499 -10.491 291 H ASN 38 H ASN 38 -9.527 4.508 -8.690 292 HA ASN 38 HA ASN 38 -11.202 2.390 -7.668 293 HB2 ASN 38 HB2 ASN 38 -10.982 3.991 -5.748 294 HB3 ASN 38 HB3 ASN 38 -11.730 5.223 -6.755 295 HD21 ASN 38 HD21 ASN 38 -13.915 5.076 -7.247 296 HD22 ASN 38 HD22 ASN 38 -14.987 4.008 -6.406 297 H GLY 39 H GLY 39 -11.493 2.114 -9.918 298 HA2 GLY 39 HA2 GLY 39 -13.098 2.100 -11.577 299 HA3 GLY 39 HA3 GLY 39 -13.937 3.388 -10.726 300 H ASN 40 H ASN 40 -13.497 5.518 -11.217 301 HA ASN 40 HA ASN 40 -12.443 5.864 -13.915 302 HB2 ASN 40 HB2 ASN 40 -13.931 7.802 -12.131 303 HB3 ASN 40 HB3 ASN 40 -13.470 8.103 -13.800 304 HD21 ASN 40 HD21 ASN 40 -14.090 5.383 -14.677 305 HD22 ASN 40 HD22 ASN 40 -15.824 5.278 -14.693 306 H TRP 41 H TRP 41 -11.514 6.441 -10.682 307 HA TRP 41 HA TRP 41 -9.612 8.508 -11.543 308 HD1 TRP 41 HD1 TRP 41 -9.022 11.073 -10.364 309 HE1 TRP 41 HE1 TRP 41 -7.317 11.927 -8.638 310 HE3 TRP 41 HE3 TRP 41 -9.627 7.475 -6.775 311 HZ2 TRP 41 HZ2 TRP 41 -6.358 11.178 -6.096 312 HZ3 TRP 41 HZ3 TRP 41 -8.273 7.618 -4.725 313 HH2 TRP 41 HH2 TRP 41 -6.671 9.433 -4.395 314 HB2 TRP 41 HB2 TRP 41 -11.180 9.340 -9.929 315 HB3 TRP 41 HB3 TRP 41 -10.844 8.008 -8.834 316 H ASP 42 H ASP 42 -7.537 8.391 -11.047 317 HA ASP 42 HA ASP 42 -6.510 6.338 -9.270 318 HB2 ASP 42 HB2 ASP 42 -4.923 5.414 -10.832 319 HB3 ASP 42 HB3 ASP 42 -6.523 5.274 -11.539 320 H LYS 43 H LYS 43 -4.351 6.775 -8.604 321 HA LYS 43 HA LYS 43 -3.048 9.210 -9.421 322 HB2 LYS 43 HB2 LYS 43 -4.881 10.021 -7.935 323 HB3 LYS 43 HB3 LYS 43 -4.203 9.058 -6.630 324 HG2 LYS 43 HG2 LYS 43 -3.537 11.352 -6.377 325 HG3 LYS 43 HG3 LYS 43 -2.125 10.375 -6.779 326 HD2 LYS 43 HD2 LYS 43 -2.232 11.100 -9.086 327 HD3 LYS 43 HD3 LYS 43 -3.713 12.003 -8.758 328 HE2 LYS 43 HE2 LYS 43 -2.466 13.419 -7.173 329 HE3 LYS 43 HE3 LYS 43 -0.991 12.536 -7.569 330 HZ1 LYS 43 HZ1 LYS 43 -1.155 13.298 -9.834 331 HZ2 LYS 43 HZ2 LYS 43 -1.183 14.631 -8.787 332 HZ3 LYS 43 HZ3 LYS 43 -2.619 14.092 -9.505 333 H LEU 44 H LEU 44 -1.032 8.487 -9.510 334 HA LEU 44 HA LEU 44 -0.061 6.587 -7.515 335 HG LEU 44 HG LEU 44 2.869 6.810 -8.220 336 HB2 LEU 44 HB2 LEU 44 0.441 6.201 -9.900 337 HB3 LEU 44 HB3 LEU 44 1.294 7.733 -9.962 338 HD11 LEU 44 HD11 LEU 44 1.429 5.033 -7.381 339 HD12 LEU 44 HD12 LEU 44 2.963 4.389 -7.966 340 HD13 LEU 44 HD13 LEU 44 1.507 4.224 -8.946 341 HD21 LEU 44 HD21 LEU 44 2.709 5.398 -10.880 342 HD22 LEU 44 HD22 LEU 44 4.131 5.461 -9.840 343 HD23 LEU 44 HD23 LEU 44 3.501 6.941 -10.560 344 H VAL 45 H VAL 45 0.495 7.537 -5.651 345 HA VAL 45 HA VAL 45 2.176 9.957 -5.804 346 HB VAL 45 HB VAL 45 0.421 9.201 -3.466 347 HG11 VAL 45 HG11 VAL 45 1.893 11.747 -4.152 348 HG12 VAL 45 HG12 VAL 45 2.336 10.593 -2.894 349 HG13 VAL 45 HG13 VAL 45 0.840 11.516 -2.756 350 HG21 VAL 45 HG21 VAL 45 -0.990 9.698 -5.392 351 HG22 VAL 45 HG22 VAL 45 -0.127 11.216 -5.644 352 HG23 VAL 45 HG23 VAL 45 -1.096 10.983 -4.189 353 H THR 46 H THR 46 4.168 9.712 -5.080 354 HA THR 46 HA THR 46 4.940 7.256 -3.768 355 HB THR 46 HB THR 46 6.731 9.599 -4.331 356 HG1 THR 46 HG1 THR 46 5.553 9.035 -6.263 357 HG21 THR 46 HG21 THR 46 8.439 7.871 -4.589 358 HG22 THR 46 HG22 THR 46 7.232 6.627 -4.271 359 HG23 THR 46 HG23 THR 46 7.671 7.773 -3.005 360 H PHE 47 H PHE 47 5.355 7.008 -1.690 361 HA PHE 47 HA PHE 47 5.483 9.373 0.067 362 HD1 PHE 47 HD1 PHE 47 3.284 10.344 1.244 363 HD2 PHE 47 HD2 PHE 47 2.167 6.731 -0.707 364 HE1 PHE 47 HE1 PHE 47 1.160 11.376 0.558 365 HE2 PHE 47 HE2 PHE 47 0.044 7.758 -1.399 366 HZ PHE 47 HZ PHE 47 -0.463 10.084 -0.768 367 HB2 PHE 47 HB2 PHE 47 4.049 6.766 0.623 368 HB3 PHE 47 HB3 PHE 47 4.290 8.049 1.799 369 H ARG 48 H ARG 48 6.158 8.366 2.417 370 HA ARG 48 HA ARG 48 8.689 7.003 1.945 371 HE ARG 48 HE ARG 48 9.663 11.462 2.227 372 HB2 ARG 48 HB2 ARG 48 7.499 7.965 4.552 373 HB3 ARG 48 HB3 ARG 48 9.152 7.435 4.291 374 HG2 ARG 48 HG2 ARG 48 7.873 9.868 3.069 375 HG3 ARG 48 HG3 ARG 48 9.001 9.856 4.427 376 HD2 ARG 48 HD2 ARG 48 10.689 8.805 2.950 377 HD3 ARG 48 HD3 ARG 48 9.564 8.969 1.603 378 HH11 ARG 48 HH11 ARG 48 12.325 9.210 2.569 379 HH12 ARG 48 HH12 ARG 48 13.548 10.409 2.289 380 HH21 ARG 48 HH21 ARG 48 11.274 13.065 1.919 381 HH22 ARG 48 HH22 ARG 48 12.959 12.613 1.961 382 H LEU 49 H LEU 49 9.264 5.159 3.358 383 HA LEU 49 HA LEU 49 7.139 3.195 3.288 384 HG LEU 49 HG LEU 49 9.720 3.266 1.594 385 HB2 LEU 49 HB2 LEU 49 10.062 2.964 4.021 386 HB3 LEU 49 HB3 LEU 49 8.946 1.614 4.002 387 HD11 LEU 49 HD11 LEU 49 11.567 1.902 2.392 388 HD12 LEU 49 HD12 LEU 49 10.915 1.244 0.891 389 HD13 LEU 49 HD13 LEU 49 10.522 0.482 2.433 390 HD21 LEU 49 HD21 LEU 49 7.459 2.375 1.426 391 HD22 LEU 49 HD22 LEU 49 8.051 0.766 1.835 392 HD23 LEU 49 HD23 LEU 49 8.550 1.532 0.327 393 H SER 50 H SER 50 8.870 5.135 5.529 394 HA SER 50 HA SER 50 8.144 3.665 7.870 395 HG SER 50 HG SER 50 10.357 6.238 6.580 396 HB2 SER 50 HB2 SER 50 8.899 5.954 8.933 397 HB3 SER 50 HB3 SER 50 10.088 4.880 8.197 398 H GLU 51 H GLU 51 6.463 5.706 5.791 399 HA GLU 51 HA GLU 51 4.502 6.245 7.946 400 HB2 GLU 51 HB2 GLU 51 3.687 8.154 6.581 401 HB3 GLU 51 HB3 GLU 51 5.336 8.344 7.159 402 HG2 GLU 51 HG2 GLU 51 6.131 7.610 4.924 403 HG3 GLU 51 HG3 GLU 51 4.453 7.625 4.378 404 H LEU 52 H LEU 52 4.952 4.012 5.879 405 HA LEU 52 HA LEU 52 2.106 3.774 5.204 406 HG LEU 52 HG LEU 52 3.906 5.306 3.231 407 HB2 LEU 52 HB2 LEU 52 4.473 2.911 3.540 408 HB3 LEU 52 HB3 LEU 52 2.811 2.499 3.195 409 HD11 LEU 52 HD11 LEU 52 4.849 3.989 1.406 410 HD12 LEU 52 HD12 LEU 52 3.716 5.198 0.801 411 HD13 LEU 52 HD13 LEU 52 3.227 3.506 0.908 412 HD21 LEU 52 HD21 LEU 52 1.533 5.198 3.767 413 HD22 LEU 52 HD22 LEU 52 1.241 4.214 2.333 414 HD23 LEU 52 HD23 LEU 52 1.783 5.883 2.161 415 H GLU 53 H GLU 53 1.289 1.612 5.316 416 HA GLU 53 HA GLU 53 3.160 -0.516 5.926 417 HB2 GLU 53 HB2 GLU 53 2.437 0.425 8.150 418 HB3 GLU 53 HB3 GLU 53 0.795 -0.073 7.755 419 HG2 GLU 53 HG2 GLU 53 1.450 -2.379 7.679 420 HG3 GLU 53 HG3 GLU 53 3.147 -1.948 7.865 421 H ALA 54 H ALA 54 2.435 -2.520 5.293 422 HA ALA 54 HA ALA 54 0.527 -2.457 3.187 423 HB1 ALA 54 HB1 ALA 54 1.917 -4.824 4.434 424 HB2 ALA 54 HB2 ALA 54 2.535 -3.852 3.098 425 HB3 ALA 54 HB3 ALA 54 1.070 -4.810 2.886 426 H VAL 55 H VAL 55 -1.494 -3.198 3.060 427 HA VAL 55 HA VAL 55 -2.880 -3.802 5.544 428 HB VAL 55 HB VAL 55 -4.204 -3.857 2.853 429 HG11 VAL 55 HG11 VAL 55 -5.125 -2.897 5.557 430 HG12 VAL 55 HG12 VAL 55 -5.499 -4.460 4.833 431 HG13 VAL 55 HG13 VAL 55 -6.107 -2.980 4.094 432 HG21 VAL 55 HG21 VAL 55 -2.867 -1.835 2.770 433 HG22 VAL 55 HG22 VAL 55 -3.466 -1.347 4.355 434 HG23 VAL 55 HG23 VAL 55 -4.570 -1.422 2.981 435 H LYS 56 H LYS 56 -4.584 -5.639 5.314 436 HA LYS 56 HA LYS 56 -3.252 -7.983 4.156 437 HB2 LYS 56 HB2 LYS 56 -4.813 -7.732 6.732 438 HB3 LYS 56 HB3 LYS 56 -4.154 -9.221 6.088 439 HG2 LYS 56 HG2 LYS 56 -1.919 -8.463 6.392 440 HG3 LYS 56 HG3 LYS 56 -2.479 -6.837 6.791 441 HD2 LYS 56 HD2 LYS 56 -3.602 -7.742 8.787 442 HD3 LYS 56 HD3 LYS 56 -2.966 -9.341 8.397 443 HE2 LYS 56 HE2 LYS 56 -0.695 -8.515 8.617 444 HE3 LYS 56 HE3 LYS 56 -1.297 -6.891 8.942 445 HZ1 LYS 56 HZ1 LYS 56 -0.655 -8.112 10.961 446 HZ2 LYS 56 HZ2 LYS 56 -1.849 -9.269 10.636 447 HZ3 LYS 56 HZ3 LYS 56 -2.291 -7.663 10.972 448 HA PRO 57 HA PRO 57 -7.171 -9.090 2.241 449 HB2 PRO 57 HB2 PRO 57 -6.709 -11.805 3.357 450 HB3 PRO 57 HB3 PRO 57 -7.007 -11.314 1.685 451 HG2 PRO 57 HG2 PRO 57 -4.575 -12.069 2.489 452 HG3 PRO 57 HG3 PRO 57 -4.794 -10.758 1.315 453 HD2 PRO 57 HD2 PRO 57 -4.134 -10.611 4.227 454 HD3 PRO 57 HD3 PRO 57 -3.541 -9.611 2.883 455 H ILE 58 H ILE 58 -9.196 -8.888 3.047 456 HA ILE 58 HA ILE 58 -9.523 -8.489 5.821 457 HB ILE 58 HB ILE 58 -11.823 -8.973 3.943 458 HG12 ILE 58 HG12 ILE 58 -11.776 -6.351 3.832 459 HG13 ILE 58 HG13 ILE 58 -10.071 -6.548 4.209 460 HG21 ILE 58 HG21 ILE 58 -13.025 -7.464 5.428 461 HG22 ILE 58 HG22 ILE 58 -11.575 -7.279 6.414 462 HG23 ILE 58 HG23 ILE 58 -12.373 -8.847 6.303 463 HD11 ILE 58 HD11 ILE 58 -11.499 -7.711 1.828 464 HD12 ILE 58 HD12 ILE 58 -9.785 -7.904 2.201 465 HD13 ILE 58 HD13 ILE 58 -10.432 -6.307 1.826 466 H LEU 59 H LEU 59 -10.796 -9.637 7.282 467 HA LEU 59 HA LEU 59 -10.824 -12.525 6.761 468 HG LEU 59 HG LEU 59 -11.510 -10.696 9.943 469 HB2 LEU 59 HB2 LEU 59 -10.449 -12.900 9.127 470 HB3 LEU 59 HB3 LEU 59 -9.176 -11.896 8.467 471 HD11 LEU 59 HD11 LEU 59 -8.910 -11.692 11.105 472 HD12 LEU 59 HD12 LEU 59 -10.516 -12.344 11.427 473 HD13 LEU 59 HD13 LEU 59 -10.104 -10.712 11.956 474 HD21 LEU 59 HD21 LEU 59 -10.174 -9.143 8.658 475 HD22 LEU 59 HD22 LEU 59 -8.693 -9.773 9.381 476 HD23 LEU 59 HD23 LEU 59 -9.861 -8.907 10.379 477 H GLU 60 H GLU 60 -12.567 -13.732 7.471 478 HA GLU 60 HA GLU 60 -15.055 -12.321 7.490 479 HB2 GLU 60 HB2 GLU 60 -14.649 -14.612 6.483 480 HB3 GLU 60 HB3 GLU 60 -14.612 -15.240 8.124 481 HG2 GLU 60 HG2 GLU 60 -16.885 -14.546 8.488 482 HG3 GLU 60 HG3 GLU 60 -16.938 -13.779 6.902 483 H HIS 61 H HIS 61 -15.168 -11.043 9.246 484 HA HIS 61 HA HIS 61 -14.614 -12.104 11.882 485 HD1 HIS 61 HD1 HIS 61 -13.982 -8.763 9.293 486 HD2 HIS 61 HD2 HIS 61 -17.530 -8.513 11.448 487 HE1 HIS 61 HE1 HIS 61 -15.407 -7.095 8.065 488 HE2 HIS 61 HE2 HIS 61 -17.474 -6.829 9.480 489 HB2 HIS 61 HB2 HIS 61 -15.280 -9.767 12.626 490 HB3 HIS 61 HB3 HIS 61 -13.863 -9.877 11.592 491 H HIS 62 H HIS 62 -16.036 -13.164 13.006 492 HA HIS 62 HA HIS 62 -18.845 -13.025 12.212 493 HD1 HIS 62 HD1 HIS 62 -20.027 -16.609 12.374 494 HD2 HIS 62 HD2 HIS 62 -16.495 -15.107 10.766 495 HE1 HIS 62 HE1 HIS 62 -19.771 -17.729 10.131 496 HE2 HIS 62 HE2 HIS 62 -17.669 -16.747 9.140 497 HB2 HIS 62 HB2 HIS 62 -17.196 -15.013 13.736 498 HB3 HIS 62 HB3 HIS 62 -18.949 -15.019 13.890 499 H HIS 63 H HIS 63 -20.499 -12.859 13.750 500 HA HIS 63 HA HIS 63 -20.115 -11.144 15.964 501 HD1 HIS 63 HD1 HIS 63 -23.791 -13.978 16.693 502 HD2 HIS 63 HD2 HIS 63 -21.998 -13.481 12.973 503 HE1 HIS 63 HE1 HIS 63 -24.546 -15.932 15.301 504 HE2 HIS 63 HE2 HIS 63 -23.271 -15.721 13.137 505 HB2 HIS 63 HB2 HIS 63 -22.459 -11.888 16.581 506 HB3 HIS 63 HB3 HIS 63 -22.294 -11.229 14.961 507 H HIS 64 H HIS 64 -18.759 -11.779 17.573 508 HA HIS 64 HA HIS 64 -19.428 -14.264 18.945 509 HD1 HIS 64 HD1 HIS 64 -14.817 -14.515 19.308 510 HD2 HIS 64 HD2 HIS 64 -16.612 -12.139 16.408 511 HE1 HIS 64 HE1 HIS 64 -13.015 -12.960 18.493 512 HE2 HIS 64 HE2 HIS 64 -14.066 -11.717 16.575 513 HB2 HIS 64 HB2 HIS 64 -17.160 -15.116 18.994 514 HB3 HIS 64 HB3 HIS 64 -17.676 -14.907 17.328 515 H HIS 65 H HIS 65 -20.260 -12.702 20.453 516 HA HIS 65 HA HIS 65 -18.155 -12.049 22.383 517 HD1 HIS 65 HD1 HIS 65 -17.558 -9.108 23.647 518 HD2 HIS 65 HD2 HIS 65 -18.083 -9.468 19.538 519 HE1 HIS 65 HE1 HIS 65 -15.671 -7.808 22.607 520 HE2 HIS 65 HE2 HIS 65 -15.893 -8.219 20.130 521 HB2 HIS 65 HB2 HIS 65 -20.202 -10.189 21.286 522 HB3 HIS 65 HB3 HIS 65 -19.822 -10.064 22.999 523 H HIS 66 H HIS 66 -18.973 -14.205 23.042 524 HA HIS 66 HA HIS 66 -20.653 -13.868 25.319 525 HD1 HIS 66 HD1 HIS 66 -22.141 -17.611 24.980 526 HD2 HIS 66 HD2 HIS 66 -23.944 -13.942 25.755 527 HE1 HIS 66 HE1 HIS 66 -23.827 -18.051 26.793 528 HE2 HIS 66 HE2 HIS 66 -25.003 -15.847 27.150 529 HB2 HIS 66 HB2 HIS 66 -22.349 -14.181 23.478 530 HB3 HIS 66 HB3 HIS 66 -21.663 -15.778 23.196 Start of MODEL 9 1 HA MET 1 HA MET 1 10.431 -0.931 4.171 2 H1 MET 1 H1 MET 1 10.611 -2.187 6.230 3 H2 MET 1 H2 MET 1 9.450 -3.289 5.662 4 H3 MET 1 H3 MET 1 9.028 -1.669 5.914 5 HB2 MET 1 HB2 MET 1 11.649 -2.524 2.750 6 HB3 MET 1 HB3 MET 1 12.226 -2.554 4.407 7 HG2 MET 1 HG2 MET 1 10.948 -4.595 4.812 8 HG3 MET 1 HG3 MET 1 10.379 -4.563 3.143 9 HE1 MET 1 HE1 MET 1 11.262 -7.084 2.906 10 HE2 MET 1 HE2 MET 1 11.885 -7.052 4.555 11 HE3 MET 1 HE3 MET 1 12.927 -7.567 3.229 12 H ILE 2 H ILE 2 8.409 -3.819 4.292 13 HA ILE 2 HA ILE 2 6.536 -4.408 3.163 14 HB ILE 2 HB ILE 2 6.648 -1.643 1.938 15 HG12 ILE 2 HG12 ILE 2 5.085 -2.668 4.323 16 HG13 ILE 2 HG13 ILE 2 6.508 -1.636 4.413 17 HG21 ILE 2 HG21 ILE 2 4.371 -3.616 2.090 18 HG22 ILE 2 HG22 ILE 2 5.263 -3.164 0.636 19 HG23 ILE 2 HG23 ILE 2 4.269 -1.969 1.469 20 HD11 ILE 2 HD11 ILE 2 3.863 -0.912 3.169 21 HD12 ILE 2 HD12 ILE 2 5.288 0.126 3.230 22 HD13 ILE 2 HD13 ILE 2 4.482 -0.353 4.723 23 H PHE 3 H PHE 3 5.972 -5.374 1.206 24 HA PHE 3 HA PHE 3 8.193 -5.575 -0.681 25 HD1 PHE 3 HD1 PHE 3 9.434 -7.564 -0.191 26 HD2 PHE 3 HD2 PHE 3 5.649 -8.529 1.496 27 HE1 PHE 3 HE1 PHE 3 10.559 -8.854 1.579 28 HE2 PHE 3 HE2 PHE 3 6.763 -9.818 3.268 29 HZ PHE 3 HZ PHE 3 9.219 -9.981 3.314 30 HB2 PHE 3 HB2 PHE 3 5.715 -7.295 -0.416 31 HB3 PHE 3 HB3 PHE 3 7.068 -7.602 -1.498 32 HA PRO 4 HA PRO 4 6.051 -3.171 -3.750 33 HB2 PRO 4 HB2 PRO 4 7.609 -4.653 -5.751 34 HB3 PRO 4 HB3 PRO 4 7.634 -2.930 -5.362 35 HG2 PRO 4 HG2 PRO 4 9.680 -4.556 -4.731 36 HG3 PRO 4 HG3 PRO 4 9.212 -3.188 -3.704 37 HD2 PRO 4 HD2 PRO 4 8.613 -6.106 -3.361 38 HD3 PRO 4 HD3 PRO 4 9.085 -4.902 -2.141 39 H GLY 5 H GLY 5 4.250 -3.458 -4.967 40 HA2 GLY 5 HA2 GLY 5 2.729 -4.629 -6.325 41 HA3 GLY 5 HA3 GLY 5 3.614 -6.116 -6.006 42 H ALA 6 H ALA 6 3.221 -4.494 -3.150 43 HA ALA 6 HA ALA 6 0.962 -6.221 -2.419 44 HB1 ALA 6 HB1 ALA 6 3.012 -6.517 -1.122 45 HB2 ALA 6 HB2 ALA 6 1.702 -5.912 -0.108 46 HB3 ALA 6 HB3 ALA 6 2.971 -4.817 -0.659 47 H THR 7 H THR 7 -0.600 -5.335 -0.866 48 HA THR 7 HA THR 7 -1.437 -2.687 -1.714 49 HB THR 7 HB THR 7 -2.871 -4.469 0.249 50 HG1 THR 7 HG1 THR 7 -2.510 -4.764 -2.507 51 HG21 THR 7 HG21 THR 7 -3.730 -2.195 0.008 52 HG22 THR 7 HG22 THR 7 -4.866 -3.363 -0.670 53 HG23 THR 7 HG23 THR 7 -3.835 -2.412 -1.739 54 H VAL 8 H VAL 8 -1.302 -0.891 -0.500 55 HA VAL 8 HA VAL 8 -0.561 -1.165 2.327 56 HB VAL 8 HB VAL 8 0.925 0.816 2.077 57 HG11 VAL 8 HG11 VAL 8 2.808 -0.420 1.130 58 HG12 VAL 8 HG12 VAL 8 1.689 -1.603 0.453 59 HG13 VAL 8 HG13 VAL 8 1.841 -1.432 2.202 60 HG21 VAL 8 HG21 VAL 8 1.752 1.392 -0.162 61 HG22 VAL 8 HG22 VAL 8 0.029 1.729 0.015 62 HG23 VAL 8 HG23 VAL 8 0.562 0.300 -0.871 63 H ARG 9 H ARG 9 -1.208 0.511 3.675 64 HA ARG 9 HA ARG 9 -3.221 2.337 2.521 65 HE ARG 9 HE ARG 9 -4.017 1.813 7.153 66 HB2 ARG 9 HB2 ARG 9 -4.155 0.578 4.038 67 HB3 ARG 9 HB3 ARG 9 -3.149 1.212 5.333 68 HG2 ARG 9 HG2 ARG 9 -4.323 3.379 5.130 69 HG3 ARG 9 HG3 ARG 9 -5.375 2.661 3.911 70 HD2 ARG 9 HD2 ARG 9 -6.533 2.606 5.998 71 HD3 ARG 9 HD3 ARG 9 -6.052 0.954 5.603 72 HH11 ARG 9 HH11 ARG 9 -7.499 1.768 7.603 73 HH12 ARG 9 HH12 ARG 9 -7.394 1.711 9.338 74 HH21 ARG 9 HH21 ARG 9 -3.885 1.700 9.416 75 HH22 ARG 9 HH22 ARG 9 -5.348 1.681 10.365 76 H VAL 10 H VAL 10 -3.103 4.490 3.106 77 HA VAL 10 HA VAL 10 -0.614 5.392 4.235 78 HB VAL 10 HB VAL 10 -3.053 7.033 3.534 79 HG11 VAL 10 HG11 VAL 10 -0.178 7.824 3.989 80 HG12 VAL 10 HG12 VAL 10 -1.550 8.200 5.033 81 HG13 VAL 10 HG13 VAL 10 -1.454 8.902 3.416 82 HG21 VAL 10 HG21 VAL 10 -0.613 6.417 1.866 83 HG22 VAL 10 HG22 VAL 10 -1.910 7.529 1.430 84 HG23 VAL 10 HG23 VAL 10 -2.243 5.805 1.588 85 H THR 11 H THR 11 -0.323 5.129 6.339 86 HA THR 11 HA THR 11 -2.561 5.305 8.182 87 HB THR 11 HB THR 11 0.296 4.783 8.975 88 HG1 THR 11 HG1 THR 11 -1.201 2.536 8.468 89 HG21 THR 11 HG21 THR 11 -0.775 3.361 10.672 90 HG22 THR 11 HG22 THR 11 -2.359 3.775 10.016 91 HG23 THR 11 HG23 THR 11 -1.364 5.024 10.761 92 H ASN 12 H ASN 12 -0.415 7.455 6.854 93 HA ASN 12 HA ASN 12 0.195 9.080 9.110 94 HB2 ASN 12 HB2 ASN 12 1.442 9.211 6.957 95 HB3 ASN 12 HB3 ASN 12 0.015 9.915 6.203 96 HD21 ASN 12 HD21 ASN 12 1.140 11.799 5.691 97 HD22 ASN 12 HD22 ASN 12 1.549 12.975 6.889 98 H VAL 13 H VAL 13 -1.384 9.821 10.332 99 HA VAL 13 HA VAL 13 -4.067 10.027 9.523 100 HB VAL 13 HB VAL 13 -2.829 11.332 11.940 101 HG11 VAL 13 HG11 VAL 13 -5.111 12.041 11.524 102 HG12 VAL 13 HG12 VAL 13 -5.050 10.993 12.941 103 HG13 VAL 13 HG13 VAL 13 -5.633 10.362 11.402 104 HG21 VAL 13 HG21 VAL 13 -3.303 9.261 13.137 105 HG22 VAL 13 HG22 VAL 13 -2.171 8.983 11.814 106 HG23 VAL 13 HG23 VAL 13 -3.861 8.516 11.639 107 H ASP 14 H ASP 14 -1.523 12.428 9.720 108 HA ASP 14 HA ASP 14 -3.328 14.662 9.575 109 HB2 ASP 14 HB2 ASP 14 -1.230 14.868 10.806 110 HB3 ASP 14 HB3 ASP 14 -0.315 14.530 9.339 111 H ASP 15 H ASP 15 -2.152 12.526 7.275 112 HA ASP 15 HA ASP 15 -1.767 14.493 5.174 113 HB2 ASP 15 HB2 ASP 15 -0.483 12.251 5.444 114 HB3 ASP 15 HB3 ASP 15 -1.909 11.529 4.700 115 H THR 16 H THR 16 -2.944 14.316 3.120 116 HA THR 16 HA THR 16 -5.756 14.373 3.556 117 HB THR 16 HB THR 16 -4.376 14.333 0.870 118 HG1 THR 16 HG1 THR 16 -4.922 16.670 2.408 119 HG21 THR 16 HG21 THR 16 -6.935 15.614 1.846 120 HG22 THR 16 HG22 THR 16 -6.810 14.204 0.793 121 HG23 THR 16 HG23 THR 16 -6.266 15.783 0.223 122 H TYR 17 H TYR 17 -3.483 12.039 2.281 123 HA TYR 17 HA TYR 17 -5.594 10.374 1.177 124 HD1 TYR 17 HD2 TYR 17 -2.283 12.266 0.298 125 HD2 TYR 17 HD1 TYR 17 -4.631 9.290 -1.631 126 HE1 TYR 17 HE2 TYR 17 -2.147 13.532 -1.803 127 HE2 TYR 17 HE1 TYR 17 -4.496 10.546 -3.742 128 HH TYR 17 HH TYR 17 -2.340 13.177 -4.182 129 HB2 TYR 17 HB2 TYR 17 -2.595 10.020 1.284 130 HB3 TYR 17 HB3 TYR 17 -3.694 8.870 0.533 131 H TYR 18 H TYR 18 -5.220 10.900 4.122 132 HA TYR 18 HA TYR 18 -4.296 8.600 5.408 133 HD1 TYR 18 HD2 TYR 18 -4.022 8.096 7.718 134 HD2 TYR 18 HD1 TYR 18 -7.784 10.052 8.000 135 HE1 TYR 18 HE2 TYR 18 -4.561 6.746 9.698 136 HE2 TYR 18 HE1 TYR 18 -8.341 8.710 9.986 137 HH TYR 18 HH TYR 18 -5.996 6.733 11.587 138 HB2 TYR 18 HB2 TYR 18 -4.670 10.588 6.700 139 HB3 TYR 18 HB3 TYR 18 -6.377 10.616 6.261 140 H ARG 19 H ARG 19 -5.060 6.669 5.713 141 HA ARG 19 HA ARG 19 -6.424 4.896 5.969 142 HE ARG 19 HE ARG 19 -11.182 4.262 8.835 143 HB2 ARG 19 HB2 ARG 19 -8.053 6.807 6.852 144 HB3 ARG 19 HB3 ARG 19 -8.945 6.364 5.400 145 HG2 ARG 19 HG2 ARG 19 -8.607 3.934 6.284 146 HG3 ARG 19 HG3 ARG 19 -8.352 4.747 7.828 147 HD2 ARG 19 HD2 ARG 19 -10.544 5.928 7.432 148 HD3 ARG 19 HD3 ARG 19 -10.803 4.824 6.080 149 HH11 ARG 19 HH11 ARG 19 -10.235 2.772 5.796 150 HH12 ARG 19 HH12 ARG 19 -10.480 1.152 6.371 151 HH21 ARG 19 HH21 ARG 19 -11.557 2.127 9.572 152 HH22 ARG 19 HH22 ARG 19 -11.221 0.782 8.518 153 H PHE 20 H PHE 20 -6.137 6.688 3.181 154 HA PHE 20 HA PHE 20 -7.785 5.028 1.508 155 HD1 PHE 20 HD2 PHE 20 -8.711 6.360 -0.962 156 HD2 PHE 20 HD1 PHE 20 -6.889 8.854 1.965 157 HE1 PHE 20 HE2 PHE 20 -10.576 7.952 -1.159 158 HE2 PHE 20 HE1 PHE 20 -8.749 10.448 1.768 159 HZ PHE 20 HZ PHE 20 -10.596 9.997 0.206 160 HB2 PHE 20 HB2 PHE 20 -5.655 7.069 0.923 161 HB3 PHE 20 HB3 PHE 20 -6.370 6.092 -0.344 162 H GLU 21 H GLU 21 -6.994 3.515 -0.023 163 HA GLU 21 HA GLU 21 -4.498 2.221 0.839 164 HB2 GLU 21 HB2 GLU 21 -7.054 0.787 0.092 165 HB3 GLU 21 HB3 GLU 21 -5.567 0.053 0.678 166 HG2 GLU 21 HG2 GLU 21 -5.853 1.210 2.821 167 HG3 GLU 21 HG3 GLU 21 -7.364 1.902 2.235 168 H GLY 22 H GLY 22 -3.198 1.481 -0.719 169 HA2 GLY 22 HA2 GLY 22 -4.188 1.173 -3.447 170 HA3 GLY 22 HA3 GLY 22 -2.949 2.397 -3.188 171 H LEU 23 H LEU 23 -1.882 0.819 -4.810 172 HA LEU 23 HA LEU 23 -0.554 -1.311 -3.291 173 HG LEU 23 HG LEU 23 -1.540 -3.268 -4.107 174 HB2 LEU 23 HB2 LEU 23 -1.352 -1.071 -6.155 175 HB3 LEU 23 HB3 LEU 23 0.032 -2.048 -5.735 176 HD11 LEU 23 HD11 LEU 23 -3.586 -1.928 -5.866 177 HD12 LEU 23 HD12 LEU 23 -3.352 -1.651 -4.139 178 HD13 LEU 23 HD13 LEU 23 -3.902 -3.225 -4.713 179 HD21 LEU 23 HD21 LEU 23 -0.681 -4.275 -6.142 180 HD22 LEU 23 HD22 LEU 23 -1.962 -3.507 -7.080 181 HD23 LEU 23 HD23 LEU 23 -2.363 -4.732 -5.877 182 H VAL 24 H VAL 24 1.675 -1.579 -3.501 183 HA VAL 24 HA VAL 24 3.140 0.848 -4.143 184 HB VAL 24 HB VAL 24 4.102 -1.798 -3.031 185 HG11 VAL 24 HG11 VAL 24 6.170 -0.593 -2.489 186 HG12 VAL 24 HG12 VAL 24 5.547 0.837 -3.314 187 HG13 VAL 24 HG13 VAL 24 5.879 -0.635 -4.230 188 HG21 VAL 24 HG21 VAL 24 2.622 -0.597 -1.502 189 HG22 VAL 24 HG22 VAL 24 3.617 0.851 -1.669 190 HG23 VAL 24 HG23 VAL 24 4.284 -0.595 -0.910 191 H GLN 25 H GLN 25 3.792 1.177 -6.186 192 HA GLN 25 HA GLN 25 4.026 -1.037 -8.022 193 HB2 GLN 25 HB2 GLN 25 3.998 1.887 -8.206 194 HB3 GLN 25 HB3 GLN 25 5.096 1.115 -9.344 195 HG2 GLN 25 HG2 GLN 25 2.899 1.468 -10.330 196 HG3 GLN 25 HG3 GLN 25 3.277 -0.248 -10.208 197 HE21 GLN 25 HE21 GLN 25 1.169 -0.918 -10.255 198 HE22 GLN 25 HE22 GLN 25 0.065 -0.643 -8.950 199 H ARG 26 H ARG 26 6.151 0.857 -6.057 200 HA ARG 26 HA ARG 26 8.317 -0.905 -6.405 201 HE ARG 26 HE ARG 26 7.536 3.753 -9.993 202 HB2 ARG 26 HB2 ARG 26 9.899 0.865 -7.373 203 HB3 ARG 26 HB3 ARG 26 8.811 0.048 -8.484 204 HG2 ARG 26 HG2 ARG 26 7.318 1.970 -8.466 205 HG3 ARG 26 HG3 ARG 26 8.378 2.793 -7.317 206 HD2 ARG 26 HD2 ARG 26 10.126 2.943 -8.907 207 HD3 ARG 26 HD3 ARG 26 9.315 1.828 -10.005 208 HH11 ARG 26 HH11 ARG 26 11.030 4.065 -9.994 209 HH12 ARG 26 HH12 ARG 26 11.025 5.539 -10.925 210 HH21 ARG 26 HH21 ARG 26 7.523 5.679 -11.214 211 HH22 ARG 26 HH22 ARG 26 9.020 6.458 -11.626 212 H VAL 27 H VAL 27 9.582 -0.798 -4.709 213 HA VAL 27 HA VAL 27 9.235 1.379 -2.802 214 HB VAL 27 HB VAL 27 10.734 -1.236 -2.503 215 HG11 VAL 27 HG11 VAL 27 10.689 -0.731 -0.092 216 HG12 VAL 27 HG12 VAL 27 9.988 0.847 -0.452 217 HG13 VAL 27 HG13 VAL 27 11.615 0.458 -1.011 218 HG21 VAL 27 HG21 VAL 27 7.999 -0.432 -1.513 219 HG22 VAL 27 HG22 VAL 27 8.836 -1.933 -1.108 220 HG23 VAL 27 HG23 VAL 27 8.351 -1.614 -2.774 221 H SER 28 H SER 28 10.815 2.816 -2.310 222 HA SER 28 HA SER 28 13.302 2.623 -3.867 223 HG SER 28 HG SER 28 14.136 4.572 -4.545 224 HB2 SER 28 HB2 SER 28 11.734 4.586 -4.247 225 HB3 SER 28 HB3 SER 28 12.133 5.112 -2.613 226 H ASP 29 H ASP 29 14.651 4.615 -2.391 227 HA ASP 29 HA ASP 29 15.942 3.067 -0.466 228 HB2 ASP 29 HB2 ASP 29 17.109 4.872 -1.530 229 HB3 ASP 29 HB3 ASP 29 15.943 6.041 -0.918 230 H GLY 30 H GLY 30 13.378 5.315 -0.196 231 HA2 GLY 30 HA2 GLY 30 12.722 4.321 2.442 232 HA3 GLY 30 HA3 GLY 30 13.139 6.026 2.375 233 H LYS 31 H LYS 31 11.879 5.791 -0.495 234 HA LYS 31 HA LYS 31 9.162 6.350 0.416 235 HB2 LYS 31 HB2 LYS 31 10.678 7.079 -2.090 236 HB3 LYS 31 HB3 LYS 31 8.982 7.427 -1.844 237 HG2 LYS 31 HG2 LYS 31 9.515 8.839 0.055 238 HG3 LYS 31 HG3 LYS 31 11.228 8.454 -0.133 239 HD2 LYS 31 HD2 LYS 31 11.223 9.481 -2.345 240 HD3 LYS 31 HD3 LYS 31 9.502 9.839 -2.185 241 HE2 LYS 31 HE2 LYS 31 10.798 11.817 -1.700 242 HE3 LYS 31 HE3 LYS 31 10.007 11.250 -0.231 243 HZ1 LYS 31 HZ1 LYS 31 12.851 10.824 -0.974 244 HZ2 LYS 31 HZ2 LYS 31 12.107 10.197 0.418 245 HZ3 LYS 31 HZ3 LYS 31 12.272 11.872 0.227 246 H ALA 32 H ALA 32 7.455 5.835 -1.272 247 HA ALA 32 HA ALA 32 8.005 3.558 -2.993 248 HB1 ALA 32 HB1 ALA 32 6.191 2.202 -2.063 249 HB2 ALA 32 HB2 ALA 32 5.949 3.399 -0.789 250 HB3 ALA 32 HB3 ALA 32 7.457 2.488 -0.869 251 H ALA 33 H ALA 33 6.611 3.465 -4.733 252 HA ALA 33 HA ALA 33 4.903 5.809 -5.078 253 HB1 ALA 33 HB1 ALA 33 6.452 5.263 -6.880 254 HB2 ALA 33 HB2 ALA 33 4.786 5.099 -7.433 255 HB3 ALA 33 HB3 ALA 33 5.729 3.663 -7.042 256 H VAL 34 H VAL 34 2.857 5.643 -4.426 257 HA VAL 34 HA VAL 34 1.604 2.987 -4.396 258 HB VAL 34 HB VAL 34 0.722 5.484 -2.939 259 HG11 VAL 34 HG11 VAL 34 -0.647 3.928 -1.614 260 HG12 VAL 34 HG12 VAL 34 -0.140 2.608 -2.667 261 HG13 VAL 34 HG13 VAL 34 -1.098 3.937 -3.319 262 HG21 VAL 34 HG21 VAL 34 1.642 4.433 -0.926 263 HG22 VAL 34 HG22 VAL 34 2.893 4.759 -2.125 264 HG23 VAL 34 HG23 VAL 34 2.281 3.119 -1.912 265 H LEU 35 H LEU 35 0.137 2.547 -5.885 266 HA LEU 35 HA LEU 35 -1.072 4.694 -7.433 267 HG LEU 35 HG LEU 35 -3.165 3.011 -8.876 268 HB2 LEU 35 HB2 LEU 35 -0.210 2.618 -8.514 269 HB3 LEU 35 HB3 LEU 35 -1.450 1.715 -7.679 270 HD11 LEU 35 HD11 LEU 35 -0.824 4.163 -10.371 271 HD12 LEU 35 HD12 LEU 35 -1.901 5.040 -9.283 272 HD13 LEU 35 HD13 LEU 35 -2.522 4.376 -10.795 273 HD21 LEU 35 HD21 LEU 35 -1.153 1.626 -10.641 274 HD22 LEU 35 HD22 LEU 35 -2.838 1.947 -11.055 275 HD23 LEU 35 HD23 LEU 35 -2.450 0.850 -9.729 276 H PHE 36 H PHE 36 -2.944 5.548 -6.903 277 HA PHE 36 HA PHE 36 -4.716 4.083 -5.085 278 HD1 PHE 36 HD2 PHE 36 -5.275 5.326 -2.606 279 HD2 PHE 36 HD1 PHE 36 -2.421 7.473 -4.917 280 HE1 PHE 36 HE2 PHE 36 -3.861 5.584 -0.608 281 HE2 PHE 36 HE1 PHE 36 -0.999 7.733 -2.930 282 HZ PHE 36 HZ PHE 36 -1.717 6.788 -0.770 283 HB2 PHE 36 HB2 PHE 36 -4.562 7.016 -5.795 284 HB3 PHE 36 HB3 PHE 36 -5.835 6.319 -4.798 285 H GLU 37 H GLU 37 -6.969 4.026 -5.501 286 HA GLU 37 HA GLU 37 -7.608 4.187 -8.369 287 HB2 GLU 37 HB2 GLU 37 -7.214 1.862 -7.274 288 HB3 GLU 37 HB3 GLU 37 -8.777 2.121 -6.519 289 HG2 GLU 37 HG2 GLU 37 -8.445 2.317 -9.487 290 HG3 GLU 37 HG3 GLU 37 -8.650 0.760 -8.690 291 H ASN 38 H ASN 38 -9.250 3.705 -5.246 292 HA ASN 38 HA ASN 38 -11.090 4.605 -4.280 293 HB2 ASN 38 HB2 ASN 38 -9.991 6.781 -4.700 294 HB3 ASN 38 HB3 ASN 38 -10.754 6.846 -6.286 295 HD21 ASN 38 HD21 ASN 38 -12.972 7.244 -6.426 296 HD22 ASN 38 HD22 ASN 38 -13.872 7.891 -5.098 297 H GLY 39 H GLY 39 -11.304 5.207 -7.773 298 HA2 GLY 39 HA2 GLY 39 -13.152 3.424 -8.577 299 HA3 GLY 39 HA3 GLY 39 -14.143 4.656 -7.805 300 H ASN 40 H ASN 40 -12.401 3.764 -10.590 301 HA ASN 40 HA ASN 40 -12.323 4.633 -12.699 302 HB2 ASN 40 HB2 ASN 40 -14.565 5.497 -12.504 303 HB3 ASN 40 HB3 ASN 40 -14.011 6.851 -11.523 304 HD21 ASN 40 HD21 ASN 40 -14.713 8.451 -12.824 305 HD22 ASN 40 HD22 ASN 40 -14.074 8.763 -14.408 306 H TRP 41 H TRP 41 -11.788 6.910 -10.091 307 HA TRP 41 HA TRP 41 -9.902 8.566 -11.357 308 HD1 TRP 41 HD1 TRP 41 -8.925 10.984 -10.274 309 HE1 TRP 41 HE1 TRP 41 -6.996 11.881 -8.825 310 HE3 TRP 41 HE3 TRP 41 -8.998 7.451 -6.553 311 HZ2 TRP 41 HZ2 TRP 41 -5.695 11.193 -6.415 312 HZ3 TRP 41 HZ3 TRP 41 -7.378 7.658 -4.712 313 HH2 TRP 41 HH2 TRP 41 -5.761 9.488 -4.648 314 HB2 TRP 41 HB2 TRP 41 -11.033 9.248 -9.352 315 HB3 TRP 41 HB3 TRP 41 -10.407 7.874 -8.457 316 H ASP 42 H ASP 42 -7.623 8.624 -11.085 317 HA ASP 42 HA ASP 42 -6.281 6.344 -9.924 318 HB2 ASP 42 HB2 ASP 42 -5.027 5.702 -11.883 319 HB3 ASP 42 HB3 ASP 42 -6.738 5.590 -12.248 320 H LYS 43 H LYS 43 -4.185 6.746 -9.399 321 HA LYS 43 HA LYS 43 -2.787 9.110 -10.156 322 HB2 LYS 43 HB2 LYS 43 -4.733 9.840 -8.567 323 HB3 LYS 43 HB3 LYS 43 -3.721 9.158 -7.303 324 HG2 LYS 43 HG2 LYS 43 -3.397 11.549 -7.468 325 HG3 LYS 43 HG3 LYS 43 -1.921 10.695 -7.923 326 HD2 LYS 43 HD2 LYS 43 -2.210 11.163 -10.192 327 HD3 LYS 43 HD3 LYS 43 -3.917 11.558 -9.985 328 HE2 LYS 43 HE2 LYS 43 -1.671 13.175 -8.796 329 HE3 LYS 43 HE3 LYS 43 -2.393 13.521 -10.368 330 HZ1 LYS 43 HZ1 LYS 43 -4.516 13.870 -9.308 331 HZ2 LYS 43 HZ2 LYS 43 -3.354 14.862 -8.573 332 HZ3 LYS 43 HZ3 LYS 43 -3.881 13.451 -7.793 333 H LEU 44 H LEU 44 -0.705 8.598 -9.933 334 HA LEU 44 HA LEU 44 0.005 6.522 -7.986 335 HG LEU 44 HG LEU 44 2.993 6.577 -8.446 336 HB2 LEU 44 HB2 LEU 44 0.681 6.202 -10.351 337 HB3 LEU 44 HB3 LEU 44 1.636 7.668 -10.252 338 HD11 LEU 44 HD11 LEU 44 1.345 4.913 -7.756 339 HD12 LEU 44 HD12 LEU 44 2.873 4.161 -8.214 340 HD13 LEU 44 HD13 LEU 44 1.499 4.109 -9.319 341 HD21 LEU 44 HD21 LEU 44 3.748 6.682 -10.778 342 HD22 LEU 44 HD22 LEU 44 2.932 5.153 -11.106 343 HD23 LEU 44 HD23 LEU 44 4.288 5.206 -9.981 344 H VAL 45 H VAL 45 0.414 7.412 -6.069 345 HA VAL 45 HA VAL 45 1.889 9.961 -6.012 346 HB VAL 45 HB VAL 45 0.079 8.886 -3.844 347 HG11 VAL 45 HG11 VAL 45 1.308 11.613 -4.248 348 HG12 VAL 45 HG12 VAL 45 1.822 10.411 -3.062 349 HG13 VAL 45 HG13 VAL 45 0.224 11.148 -2.936 350 HG21 VAL 45 HG21 VAL 45 -1.557 10.542 -4.567 351 HG22 VAL 45 HG22 VAL 45 -1.213 9.394 -5.862 352 HG23 VAL 45 HG23 VAL 45 -0.508 11.011 -5.904 353 H THR 46 H THR 46 3.909 9.793 -5.362 354 HA THR 46 HA THR 46 4.956 7.496 -4.050 355 HB THR 46 HB THR 46 6.386 10.111 -3.998 356 HG1 THR 46 HG1 THR 46 5.507 8.744 -6.291 357 HG21 THR 46 HG21 THR 46 8.302 8.670 -4.586 358 HG22 THR 46 HG22 THR 46 7.219 7.278 -4.616 359 HG23 THR 46 HG23 THR 46 7.496 8.146 -3.107 360 H PHE 47 H PHE 47 5.047 7.081 -1.956 361 HA PHE 47 HA PHE 47 4.840 9.292 -0.025 362 HD1 PHE 47 HD1 PHE 47 2.861 9.859 1.720 363 HD2 PHE 47 HD2 PHE 47 1.574 7.131 -1.282 364 HE1 PHE 47 HE1 PHE 47 0.814 11.183 1.402 365 HE2 PHE 47 HE2 PHE 47 -0.470 8.455 -1.609 366 HZ PHE 47 HZ PHE 47 -0.854 10.482 -0.269 367 HB2 PHE 47 HB2 PHE 47 3.442 6.624 0.016 368 HB3 PHE 47 HB3 PHE 47 3.763 7.500 1.507 369 H ARG 48 H ARG 48 5.414 8.072 2.265 370 HA ARG 48 HA ARG 48 8.079 6.959 1.794 371 HE ARG 48 HE ARG 48 8.420 12.193 3.067 372 HB2 ARG 48 HB2 ARG 48 6.991 8.061 4.380 373 HB3 ARG 48 HB3 ARG 48 8.669 7.753 3.963 374 HG2 ARG 48 HG2 ARG 48 8.720 9.574 2.439 375 HG3 ARG 48 HG3 ARG 48 6.973 9.783 2.539 376 HD2 ARG 48 HD2 ARG 48 7.327 10.255 5.010 377 HD3 ARG 48 HD3 ARG 48 9.046 10.375 4.630 378 HH11 ARG 48 HH11 ARG 48 6.349 11.383 5.762 379 HH12 ARG 48 HH12 ARG 48 5.544 12.920 5.787 380 HH21 ARG 48 HH21 ARG 48 7.354 14.230 3.068 381 HH22 ARG 48 HH22 ARG 48 6.080 14.531 4.223 382 H LEU 49 H LEU 49 8.769 5.321 3.418 383 HA LEU 49 HA LEU 49 6.885 3.176 3.322 384 HG LEU 49 HG LEU 49 9.740 3.504 2.118 385 HB2 LEU 49 HB2 LEU 49 9.633 3.337 4.560 386 HB3 LEU 49 HB3 LEU 49 8.689 1.866 4.428 387 HD11 LEU 49 HD11 LEU 49 11.487 2.286 3.303 388 HD12 LEU 49 HD12 LEU 49 11.188 1.591 1.710 389 HD13 LEU 49 HD13 LEU 49 10.557 0.795 3.152 390 HD21 LEU 49 HD21 LEU 49 7.602 2.455 1.591 391 HD22 LEU 49 HD22 LEU 49 8.226 0.895 2.134 392 HD23 LEU 49 HD23 LEU 49 8.926 1.681 0.717 393 H SER 50 H SER 50 8.148 5.305 5.804 394 HA SER 50 HA SER 50 6.965 3.998 7.995 395 HG SER 50 HG SER 50 9.537 4.820 8.490 396 HB2 SER 50 HB2 SER 50 7.731 6.874 7.786 397 HB3 SER 50 HB3 SER 50 7.749 5.851 9.196 398 H GLU 51 H GLU 51 5.784 5.954 5.486 399 HA GLU 51 HA GLU 51 3.539 7.002 7.035 400 HB2 GLU 51 HB2 GLU 51 4.710 7.513 4.367 401 HB3 GLU 51 HB3 GLU 51 2.969 7.705 4.486 402 HG2 GLU 51 HG2 GLU 51 4.168 9.808 4.821 403 HG3 GLU 51 HG3 GLU 51 3.217 9.345 6.228 404 H LEU 52 H LEU 52 4.232 4.151 5.468 405 HA LEU 52 HA LEU 52 1.424 3.699 4.707 406 HG LEU 52 HG LEU 52 3.555 4.765 2.745 407 HB2 LEU 52 HB2 LEU 52 3.929 2.444 3.590 408 HB3 LEU 52 HB3 LEU 52 2.296 2.048 3.109 409 HD11 LEU 52 HD11 LEU 52 4.678 3.081 1.386 410 HD12 LEU 52 HD12 LEU 52 3.716 4.167 0.383 411 HD13 LEU 52 HD13 LEU 52 3.124 2.546 0.748 412 HD21 LEU 52 HD21 LEU 52 1.633 5.208 1.317 413 HD22 LEU 52 HD22 LEU 52 1.100 4.775 2.941 414 HD23 LEU 52 HD23 LEU 52 1.000 3.594 1.637 415 H GLU 53 H GLU 53 0.557 1.615 5.081 416 HA GLU 53 HA GLU 53 2.173 -0.204 6.738 417 HB2 GLU 53 HB2 GLU 53 0.246 -0.797 8.061 418 HB3 GLU 53 HB3 GLU 53 0.421 0.951 8.111 419 HG2 GLU 53 HG2 GLU 53 -1.349 1.217 6.491 420 HG3 GLU 53 HG3 GLU 53 -1.484 -0.531 6.314 421 H ALA 54 H ALA 54 1.850 -2.414 6.315 422 HA ALA 54 HA ALA 54 0.880 -3.034 3.693 423 HB1 ALA 54 HB1 ALA 54 2.789 -4.220 4.719 424 HB2 ALA 54 HB2 ALA 54 1.515 -5.317 4.186 425 HB3 ALA 54 HB3 ALA 54 1.684 -4.929 5.898 426 H VAL 55 H VAL 55 -1.155 -3.410 3.153 427 HA VAL 55 HA VAL 55 -3.190 -3.732 5.157 428 HB VAL 55 HB VAL 55 -3.553 -4.126 2.188 429 HG11 VAL 55 HG11 VAL 55 -5.435 -4.812 3.578 430 HG12 VAL 55 HG12 VAL 55 -5.837 -3.404 2.595 431 HG13 VAL 55 HG13 VAL 55 -5.478 -3.207 4.310 432 HG21 VAL 55 HG21 VAL 55 -2.435 -1.979 2.567 433 HG22 VAL 55 HG22 VAL 55 -3.696 -1.532 3.716 434 HG23 VAL 55 HG23 VAL 55 -4.095 -1.754 2.013 435 H LYS 56 H LYS 56 -4.835 -5.549 4.703 436 HA LYS 56 HA LYS 56 -3.303 -8.048 4.772 437 HB2 LYS 56 HB2 LYS 56 -5.661 -7.022 6.297 438 HB3 LYS 56 HB3 LYS 56 -5.524 -8.750 6.031 439 HG2 LYS 56 HG2 LYS 56 -4.618 -8.098 8.198 440 HG3 LYS 56 HG3 LYS 56 -3.370 -8.779 7.159 441 HD2 LYS 56 HD2 LYS 56 -2.508 -6.851 8.348 442 HD3 LYS 56 HD3 LYS 56 -2.602 -6.499 6.623 443 HE2 LYS 56 HE2 LYS 56 -4.662 -5.262 6.968 444 HE3 LYS 56 HE3 LYS 56 -4.631 -5.652 8.687 445 HZ1 LYS 56 HZ1 LYS 56 -3.790 -3.421 8.251 446 HZ2 LYS 56 HZ2 LYS 56 -2.569 -4.054 7.256 447 HZ3 LYS 56 HZ3 LYS 56 -2.581 -4.409 8.912 448 HA PRO 57 HA PRO 57 -5.338 -9.198 0.977 449 HB2 PRO 57 HB2 PRO 57 -4.995 -11.912 2.169 450 HB3 PRO 57 HB3 PRO 57 -4.558 -11.329 0.558 451 HG2 PRO 57 HG2 PRO 57 -2.686 -11.703 2.412 452 HG3 PRO 57 HG3 PRO 57 -2.608 -10.314 1.310 453 HD2 PRO 57 HD2 PRO 57 -3.406 -10.414 4.185 454 HD3 PRO 57 HD3 PRO 57 -2.532 -9.150 3.296 455 H ILE 58 H ILE 58 -7.444 -9.581 0.455 456 HA ILE 58 HA ILE 58 -9.364 -9.525 2.509 457 HB ILE 58 HB ILE 58 -10.088 -10.481 -0.239 458 HG12 ILE 58 HG12 ILE 58 -10.432 -7.910 -0.671 459 HG13 ILE 58 HG13 ILE 58 -9.177 -7.730 0.548 460 HG21 ILE 58 HG21 ILE 58 -11.479 -8.706 1.756 461 HG22 ILE 58 HG22 ILE 58 -11.824 -10.410 1.454 462 HG23 ILE 58 HG23 ILE 58 -12.131 -9.211 0.196 463 HD11 ILE 58 HD11 ILE 58 -8.928 -9.228 -2.046 464 HD12 ILE 58 HD12 ILE 58 -7.667 -9.086 -0.821 465 HD13 ILE 58 HD13 ILE 58 -8.234 -7.649 -1.675 466 H LEU 59 H LEU 59 -10.883 -11.077 3.105 467 HA LEU 59 HA LEU 59 -10.219 -13.853 2.642 468 HG LEU 59 HG LEU 59 -9.021 -11.283 4.811 469 HB2 LEU 59 HB2 LEU 59 -10.130 -14.053 5.272 470 HB3 LEU 59 HB3 LEU 59 -8.695 -13.727 4.323 471 HD11 LEU 59 HD11 LEU 59 -11.381 -11.312 5.374 472 HD12 LEU 59 HD12 LEU 59 -10.428 -10.670 6.710 473 HD13 LEU 59 HD13 LEU 59 -11.049 -12.318 6.783 474 HD21 LEU 59 HD21 LEU 59 -7.385 -12.601 6.015 475 HD22 LEU 59 HD22 LEU 59 -8.619 -13.133 7.156 476 HD23 LEU 59 HD23 LEU 59 -8.145 -11.435 7.097 477 H GLU 60 H GLU 60 -11.584 -15.152 4.492 478 HA GLU 60 HA GLU 60 -14.309 -14.138 4.046 479 HB2 GLU 60 HB2 GLU 60 -13.652 -16.247 2.867 480 HB3 GLU 60 HB3 GLU 60 -13.419 -17.004 4.433 481 HG2 GLU 60 HG2 GLU 60 -16.049 -15.826 3.593 482 HG3 GLU 60 HG3 GLU 60 -15.587 -17.483 3.219 483 H HIS 61 H HIS 61 -15.135 -13.285 5.813 484 HA HIS 61 HA HIS 61 -15.141 -14.948 8.229 485 HD1 HIS 61 HD1 HIS 61 -13.868 -14.762 10.602 486 HD2 HIS 61 HD2 HIS 61 -11.844 -12.072 8.163 487 HE1 HIS 61 HE1 HIS 61 -11.431 -15.012 11.187 488 HE2 HIS 61 HE2 HIS 61 -10.246 -13.255 9.818 489 HB2 HIS 61 HB2 HIS 61 -14.538 -12.006 8.072 490 HB3 HIS 61 HB3 HIS 61 -15.304 -12.675 9.505 491 H HIS 62 H HIS 62 -17.168 -15.504 8.655 492 HA HIS 62 HA HIS 62 -19.377 -14.262 7.388 493 HD1 HIS 62 HD1 HIS 62 -18.131 -18.161 8.904 494 HD2 HIS 62 HD2 HIS 62 -19.682 -15.548 11.748 495 HE1 HIS 62 HE1 HIS 62 -17.344 -19.031 11.129 496 HE2 HIS 62 HE2 HIS 62 -18.179 -17.363 12.823 497 HB2 HIS 62 HB2 HIS 62 -20.753 -15.657 9.024 498 HB3 HIS 62 HB3 HIS 62 -19.707 -16.526 7.914 499 H HIS 63 H HIS 63 -20.701 -12.704 8.008 500 HA HIS 63 HA HIS 63 -19.683 -10.864 9.913 501 HD1 HIS 63 HD1 HIS 63 -23.626 -8.820 9.353 502 HD2 HIS 63 HD2 HIS 63 -19.521 -8.186 9.481 503 HE1 HIS 63 HE1 HIS 63 -23.326 -6.498 10.272 504 HE2 HIS 63 HE2 HIS 63 -20.832 -6.216 10.521 505 HB2 HIS 63 HB2 HIS 63 -20.874 -10.311 7.755 506 HB3 HIS 63 HB3 HIS 63 -22.377 -10.777 8.541 507 H HIS 64 H HIS 64 -20.877 -9.904 11.648 508 HA HIS 64 HA HIS 64 -21.625 -11.501 13.713 509 HD1 HIS 64 HD1 HIS 64 -24.675 -8.718 14.751 510 HD2 HIS 64 HD2 HIS 64 -21.128 -10.050 16.475 511 HE1 HIS 64 HE1 HIS 64 -25.104 -8.790 17.231 512 HE2 HIS 64 HE2 HIS 64 -22.899 -9.446 18.259 513 HB2 HIS 64 HB2 HIS 64 -21.131 -9.061 13.800 514 HB3 HIS 64 HB3 HIS 64 -22.728 -8.745 13.140 515 H HIS 65 H HIS 65 -23.493 -12.322 14.584 516 HA HIS 65 HA HIS 65 -25.719 -12.647 12.720 517 HD1 HIS 65 HD1 HIS 65 -27.156 -15.317 12.465 518 HD2 HIS 65 HD2 HIS 65 -27.383 -14.426 16.526 519 HE1 HIS 65 HE1 HIS 65 -29.391 -16.184 13.237 520 HE2 HIS 65 HE2 HIS 65 -29.504 -15.652 15.697 521 HB2 HIS 65 HB2 HIS 65 -24.851 -14.699 13.651 522 HB3 HIS 65 HB3 HIS 65 -24.964 -14.063 15.287 523 H HIS 66 H HIS 66 -27.750 -11.878 13.087 524 HA HIS 66 HA HIS 66 -28.207 -10.501 15.649 525 HD1 HIS 66 HD1 HIS 66 -27.717 -9.591 11.337 526 HD2 HIS 66 HD2 HIS 66 -31.567 -9.225 12.877 527 HE1 HIS 66 HE1 HIS 66 -29.253 -9.620 9.349 528 HE2 HIS 66 HE2 HIS 66 -31.582 -9.524 10.304 529 HB2 HIS 66 HB2 HIS 66 -29.376 -8.703 14.562 530 HB3 HIS 66 HB3 HIS 66 -27.796 -8.863 13.814 Start of MODEL 10 1 HA MET 1 HA MET 1 10.853 -3.441 3.733 2 H1 MET 1 H1 MET 1 11.037 -3.781 6.100 3 H2 MET 1 H2 MET 1 9.531 -4.560 6.134 4 H3 MET 1 H3 MET 1 9.631 -2.920 5.712 5 HB2 MET 1 HB2 MET 1 11.978 -5.455 4.533 6 HB3 MET 1 HB3 MET 1 10.443 -6.305 4.618 7 HG2 MET 1 HG2 MET 1 10.198 -6.108 2.194 8 HG3 MET 1 HG3 MET 1 11.742 -5.262 2.109 9 HE1 MET 1 HE1 MET 1 13.538 -6.828 4.185 10 HE2 MET 1 HE2 MET 1 14.073 -6.370 2.568 11 HE3 MET 1 HE3 MET 1 14.288 -8.026 3.133 12 H ILE 2 H ILE 2 9.487 -2.923 2.201 13 HA ILE 2 HA ILE 2 6.914 -4.360 2.035 14 HB ILE 2 HB ILE 2 7.333 -1.452 1.315 15 HG12 ILE 2 HG12 ILE 2 5.914 -2.650 3.709 16 HG13 ILE 2 HG13 ILE 2 7.452 -1.793 3.755 17 HG21 ILE 2 HG21 ILE 2 4.821 -3.116 1.458 18 HG22 ILE 2 HG22 ILE 2 5.614 -2.555 -0.013 19 HG23 ILE 2 HG23 ILE 2 4.894 -1.391 1.097 20 HD11 ILE 2 HD11 ILE 2 4.799 -0.613 2.965 21 HD12 ILE 2 HD12 ILE 2 6.340 0.247 3.019 22 HD13 ILE 2 HD13 ILE 2 5.627 -0.381 4.506 23 H PHE 3 H PHE 3 6.281 -4.965 -0.034 24 HA PHE 3 HA PHE 3 8.298 -4.552 -2.117 25 HD1 PHE 3 HD1 PHE 3 7.018 -7.333 0.591 26 HD2 PHE 3 HD2 PHE 3 5.258 -7.372 -3.285 27 HE1 PHE 3 HE1 PHE 3 5.093 -8.578 1.485 28 HE2 PHE 3 HE2 PHE 3 3.329 -8.618 -2.399 29 HZ PHE 3 HZ PHE 3 3.243 -9.221 -0.012 30 HB2 PHE 3 HB2 PHE 3 7.555 -6.773 -2.989 31 HB3 PHE 3 HB3 PHE 3 8.333 -6.845 -1.418 32 HA PRO 4 HA PRO 4 5.197 -2.760 -4.732 33 HB2 PRO 4 HB2 PRO 4 6.458 -4.251 -6.958 34 HB3 PRO 4 HB3 PRO 4 6.229 -2.510 -6.755 35 HG2 PRO 4 HG2 PRO 4 8.644 -3.617 -6.502 36 HG3 PRO 4 HG3 PRO 4 8.137 -2.279 -5.456 37 HD2 PRO 4 HD2 PRO 4 8.256 -5.210 -4.857 38 HD3 PRO 4 HD3 PRO 4 8.718 -3.833 -3.833 39 H GLY 5 H GLY 5 3.233 -3.313 -5.576 40 HA2 GLY 5 HA2 GLY 5 1.640 -4.771 -6.543 41 HA3 GLY 5 HA3 GLY 5 2.692 -6.130 -6.175 42 H ALA 6 H ALA 6 2.835 -4.485 -3.432 43 HA ALA 6 HA ALA 6 0.800 -6.140 -2.183 44 HB1 ALA 6 HB1 ALA 6 3.004 -6.089 -1.172 45 HB2 ALA 6 HB2 ALA 6 1.813 -5.398 -0.069 46 HB3 ALA 6 HB3 ALA 6 2.896 -4.341 -0.974 47 H THR 7 H THR 7 -0.942 -5.405 -1.058 48 HA THR 7 HA THR 7 -1.931 -2.785 -1.718 49 HB THR 7 HB THR 7 -3.208 -4.642 0.266 50 HG1 THR 7 HG1 THR 7 -3.507 -4.868 -2.558 51 HG21 THR 7 HG21 THR 7 -5.276 -3.758 -0.743 52 HG22 THR 7 HG22 THR 7 -4.307 -2.764 -1.828 53 HG23 THR 7 HG23 THR 7 -4.262 -2.472 -0.089 54 H VAL 8 H VAL 8 -1.703 -1.011 -0.497 55 HA VAL 8 HA VAL 8 -0.987 -1.341 2.333 56 HB VAL 8 HB VAL 8 0.542 0.622 2.117 57 HG11 VAL 8 HG11 VAL 8 1.290 -1.783 0.462 58 HG12 VAL 8 HG12 VAL 8 1.409 -1.658 2.216 59 HG13 VAL 8 HG13 VAL 8 2.413 -0.634 1.190 60 HG21 VAL 8 HG21 VAL 8 0.216 0.133 -0.843 61 HG22 VAL 8 HG22 VAL 8 1.393 1.217 -0.101 62 HG23 VAL 8 HG23 VAL 8 -0.331 1.557 0.043 63 H ARG 9 H ARG 9 -1.686 0.223 3.719 64 HA ARG 9 HA ARG 9 -3.572 2.211 2.634 65 HE ARG 9 HE ARG 9 -4.016 2.025 7.481 66 HB2 ARG 9 HB2 ARG 9 -4.605 0.577 4.157 67 HB3 ARG 9 HB3 ARG 9 -3.418 0.964 5.394 68 HG2 ARG 9 HG2 ARG 9 -4.309 3.290 5.426 69 HG3 ARG 9 HG3 ARG 9 -5.572 2.767 4.311 70 HD2 ARG 9 HD2 ARG 9 -6.439 2.733 6.555 71 HD3 ARG 9 HD3 ARG 9 -6.286 1.076 5.968 72 HH11 ARG 9 HH11 ARG 9 -7.147 0.434 7.633 73 HH12 ARG 9 HH12 ARG 9 -6.816 -0.329 9.164 74 HH21 ARG 9 HH21 ARG 9 -3.585 1.010 9.489 75 HH22 ARG 9 HH22 ARG 9 -4.818 0.027 10.225 76 H VAL 10 H VAL 10 -3.129 4.339 2.977 77 HA VAL 10 HA VAL 10 -0.637 5.031 4.270 78 HB VAL 10 HB VAL 10 -2.760 6.884 3.163 79 HG11 VAL 10 HG11 VAL 10 -0.944 8.531 3.079 80 HG12 VAL 10 HG12 VAL 10 0.144 7.367 3.835 81 HG13 VAL 10 HG13 VAL 10 -1.246 7.982 4.729 82 HG21 VAL 10 HG21 VAL 10 -1.922 5.383 1.435 83 HG22 VAL 10 HG22 VAL 10 -0.264 5.809 1.854 84 HG23 VAL 10 HG23 VAL 10 -1.341 7.028 1.175 85 H THR 11 H THR 11 -0.679 4.798 6.415 86 HA THR 11 HA THR 11 -2.995 5.824 7.893 87 HB THR 11 HB THR 11 -0.792 4.116 9.048 88 HG1 THR 11 HG1 THR 11 -2.115 2.322 8.545 89 HG21 THR 11 HG21 THR 11 -3.695 4.479 9.803 90 HG22 THR 11 HG22 THR 11 -2.328 5.230 10.625 91 HG23 THR 11 HG23 THR 11 -2.519 3.477 10.651 92 H ASN 12 H ASN 12 -0.364 7.144 6.773 93 HA ASN 12 HA ASN 12 0.899 8.352 8.979 94 HB2 ASN 12 HB2 ASN 12 1.771 8.497 6.655 95 HB3 ASN 12 HB3 ASN 12 0.414 9.535 6.227 96 HD21 ASN 12 HD21 ASN 12 1.816 11.206 5.629 97 HD22 ASN 12 HD22 ASN 12 2.668 12.147 6.803 98 H VAL 13 H VAL 13 -0.111 9.437 10.535 99 HA VAL 13 HA VAL 13 -2.844 9.937 10.475 100 HB VAL 13 HB VAL 13 -0.831 11.198 12.329 101 HG11 VAL 13 HG11 VAL 13 -3.002 12.269 12.465 102 HG12 VAL 13 HG12 VAL 13 -2.704 11.308 13.913 103 HG13 VAL 13 HG13 VAL 13 -3.787 10.701 12.658 104 HG21 VAL 13 HG21 VAL 13 -2.311 8.583 12.565 105 HG22 VAL 13 HG22 VAL 13 -1.299 9.308 13.815 106 HG23 VAL 13 HG23 VAL 13 -0.580 8.784 12.291 107 H ASP 14 H ASP 14 -0.168 12.240 10.111 108 HA ASP 14 HA ASP 14 -2.120 14.383 9.702 109 HB2 ASP 14 HB2 ASP 14 -0.200 14.606 11.360 110 HB3 ASP 14 HB3 ASP 14 0.875 14.681 9.969 111 H ASP 15 H ASP 15 -1.878 12.485 7.658 112 HA ASP 15 HA ASP 15 -0.514 14.031 5.544 113 HB2 ASP 15 HB2 ASP 15 0.021 11.518 5.967 114 HB3 ASP 15 HB3 ASP 15 -1.526 11.221 5.180 115 H THR 16 H THR 16 -1.649 14.126 3.446 116 HA THR 16 HA THR 16 -4.445 14.761 3.818 117 HB THR 16 HB THR 16 -2.826 14.803 1.259 118 HG1 THR 16 HG1 THR 16 -1.805 16.239 2.566 119 HG21 THR 16 HG21 THR 16 -5.356 16.253 2.042 120 HG22 THR 16 HG22 THR 16 -5.259 14.881 0.939 121 HG23 THR 16 HG23 THR 16 -4.501 16.413 0.506 122 H TYR 17 H TYR 17 -2.532 12.142 2.650 123 HA TYR 17 HA TYR 17 -4.856 10.882 1.387 124 HD1 TYR 17 HD2 TYR 17 -1.553 12.422 0.222 125 HD2 TYR 17 HD1 TYR 17 -4.234 9.520 -1.353 126 HE1 TYR 17 HE2 TYR 17 -1.549 13.597 -1.936 127 HE2 TYR 17 HE1 TYR 17 -4.238 10.690 -3.515 128 HH TYR 17 HH TYR 17 -2.001 13.179 -4.269 129 HB2 TYR 17 HB2 TYR 17 -1.910 10.253 1.347 130 HB3 TYR 17 HB3 TYR 17 -3.118 9.127 0.734 131 H TYR 18 H TYR 18 -4.441 11.253 4.308 132 HA TYR 18 HA TYR 18 -3.899 8.775 5.519 133 HD1 TYR 18 HD2 TYR 18 -3.436 8.349 7.797 134 HD2 TYR 18 HD1 TYR 18 -7.068 10.516 8.248 135 HE1 TYR 18 HE2 TYR 18 -3.961 7.038 9.806 136 HE2 TYR 18 HE1 TYR 18 -7.601 9.210 10.264 137 HH TYR 18 HH TYR 18 -5.295 7.133 11.779 138 HB2 TYR 18 HB2 TYR 18 -3.976 10.859 6.808 139 HB3 TYR 18 HB3 TYR 18 -5.695 11.021 6.470 140 H ARG 19 H ARG 19 -4.999 6.977 5.628 141 HA ARG 19 HA ARG 19 -6.657 5.449 5.610 142 HE ARG 19 HE ARG 19 -9.748 4.793 6.430 143 HB2 ARG 19 HB2 ARG 19 -8.430 7.867 5.566 144 HB3 ARG 19 HB3 ARG 19 -9.087 6.247 5.399 145 HG2 ARG 19 HG2 ARG 19 -7.627 5.855 7.584 146 HG3 ARG 19 HG3 ARG 19 -7.921 7.590 7.756 147 HD2 ARG 19 HD2 ARG 19 -9.648 6.272 8.887 148 HD3 ARG 19 HD3 ARG 19 -10.320 7.216 7.558 149 HH11 ARG 19 HH11 ARG 19 -11.665 5.816 9.184 150 HH12 ARG 19 HH12 ARG 19 -12.783 4.489 9.051 151 HH21 ARG 19 HH21 ARG 19 -11.209 3.075 6.248 152 HH22 ARG 19 HH22 ARG 19 -12.518 2.921 7.379 153 H PHE 20 H PHE 20 -5.593 7.099 3.092 154 HA PHE 20 HA PHE 20 -7.424 5.935 1.165 155 HD1 PHE 20 HD1 PHE 20 -6.450 9.246 2.130 156 HD2 PHE 20 HD2 PHE 20 -7.322 7.639 -1.713 157 HE1 PHE 20 HE1 PHE 20 -8.002 11.104 1.712 158 HE2 PHE 20 HE2 PHE 20 -8.883 9.495 -2.136 159 HZ PHE 20 HZ PHE 20 -9.223 11.233 -0.426 160 HB2 PHE 20 HB2 PHE 20 -4.931 7.582 0.920 161 HB3 PHE 20 HB3 PHE 20 -5.586 6.733 -0.466 162 H GLU 21 H GLU 21 -6.802 4.316 -0.299 163 HA GLU 21 HA GLU 21 -4.656 2.578 0.694 164 HB2 GLU 21 HB2 GLU 21 -7.489 1.760 0.005 165 HB3 GLU 21 HB3 GLU 21 -6.180 0.638 0.355 166 HG2 GLU 21 HG2 GLU 21 -6.009 1.422 2.600 167 HG3 GLU 21 HG3 GLU 21 -7.133 2.743 2.281 168 H GLY 22 H GLY 22 -3.588 1.378 -0.826 169 HA2 GLY 22 HA2 GLY 22 -4.466 1.192 -3.541 170 HA3 GLY 22 HA3 GLY 22 -3.215 2.413 -3.335 171 H LEU 23 H LEU 23 -2.137 0.851 -4.875 172 HA LEU 23 HA LEU 23 -0.821 -1.297 -3.358 173 HG LEU 23 HG LEU 23 -1.751 -3.322 -4.177 174 HB2 LEU 23 HB2 LEU 23 -1.711 -1.087 -6.195 175 HB3 LEU 23 HB3 LEU 23 -0.299 -2.044 -5.830 176 HD11 LEU 23 HD11 LEU 23 -4.149 -3.250 -4.520 177 HD12 LEU 23 HD12 LEU 23 -3.961 -1.970 -5.719 178 HD13 LEU 23 HD13 LEU 23 -3.556 -1.663 -4.030 179 HD21 LEU 23 HD21 LEU 23 -1.063 -4.230 -6.329 180 HD22 LEU 23 HD22 LEU 23 -2.435 -3.443 -7.110 181 HD23 LEU 23 HD23 LEU 23 -2.708 -4.725 -5.930 182 H VAL 24 H VAL 24 1.338 -1.287 -3.204 183 HA VAL 24 HA VAL 24 2.907 0.942 -3.977 184 HB VAL 24 HB VAL 24 3.838 -1.857 -3.292 185 HG11 VAL 24 HG11 VAL 24 5.301 0.781 -3.236 186 HG12 VAL 24 HG12 VAL 24 5.564 -0.535 -4.382 187 HG13 VAL 24 HG13 VAL 24 5.942 -0.763 -2.674 188 HG21 VAL 24 HG21 VAL 24 4.157 -0.973 -1.019 189 HG22 VAL 24 HG22 VAL 24 2.463 -0.950 -1.511 190 HG23 VAL 24 HG23 VAL 24 3.404 0.542 -1.515 191 H GLN 25 H GLN 25 3.690 1.448 -5.913 192 HA GLN 25 HA GLN 25 3.532 -0.531 -8.048 193 HB2 GLN 25 HB2 GLN 25 4.187 2.413 -8.044 194 HB3 GLN 25 HB3 GLN 25 4.205 1.418 -9.489 195 HG2 GLN 25 HG2 GLN 25 1.826 1.979 -7.733 196 HG3 GLN 25 HG3 GLN 25 2.141 2.676 -9.321 197 HE21 GLN 25 HE21 GLN 25 1.110 -0.125 -7.572 198 HE22 GLN 25 HE22 GLN 25 0.524 -1.017 -8.934 199 H ARG 26 H ARG 26 5.850 1.181 -6.142 200 HA ARG 26 HA ARG 26 7.987 -0.527 -6.831 201 HE ARG 26 HE ARG 26 10.528 2.672 -8.787 202 HB2 ARG 26 HB2 ARG 26 9.445 1.208 -7.899 203 HB3 ARG 26 HB3 ARG 26 8.100 0.684 -8.903 204 HG2 ARG 26 HG2 ARG 26 6.865 2.698 -8.323 205 HG3 ARG 26 HG3 ARG 26 8.187 3.219 -7.277 206 HD2 ARG 26 HD2 ARG 26 8.419 2.734 -10.242 207 HD3 ARG 26 HD3 ARG 26 8.191 4.315 -9.497 208 HH11 ARG 26 HH11 ARG 26 9.143 5.579 -10.174 209 HH12 ARG 26 HH12 ARG 26 10.662 6.425 -10.248 210 HH21 ARG 26 HH21 ARG 26 12.539 3.760 -8.917 211 HH22 ARG 26 HH22 ARG 26 12.601 5.385 -9.530 212 H VAL 27 H VAL 27 9.490 -0.454 -5.318 213 HA VAL 27 HA VAL 27 9.294 1.631 -3.257 214 HB VAL 27 HB VAL 27 10.658 -1.066 -3.083 215 HG11 VAL 27 HG11 VAL 27 9.970 0.938 -0.937 216 HG12 VAL 27 HG12 VAL 27 11.586 0.584 -1.546 217 HG13 VAL 27 HG13 VAL 27 10.684 -0.654 -0.672 218 HG21 VAL 27 HG21 VAL 27 8.750 -1.741 -1.698 219 HG22 VAL 27 HG22 VAL 27 8.273 -1.362 -3.351 220 HG23 VAL 27 HG23 VAL 27 7.962 -0.205 -2.058 221 H SER 28 H SER 28 11.098 2.824 -2.663 222 HA SER 28 HA SER 28 13.519 2.399 -4.288 223 HG SER 28 HG SER 28 13.891 5.625 -5.258 224 HB2 SER 28 HB2 SER 28 12.126 4.431 -4.901 225 HB3 SER 28 HB3 SER 28 12.504 5.080 -3.306 226 H ASP 29 H ASP 29 12.984 1.236 -1.795 227 HA ASP 29 HA ASP 29 13.694 0.956 0.340 228 HB2 ASP 29 HB2 ASP 29 16.168 2.037 -0.995 229 HB3 ASP 29 HB3 ASP 29 16.172 1.476 0.675 230 H GLY 30 H GLY 30 12.324 2.335 1.402 231 HA2 GLY 30 HA2 GLY 30 12.485 3.945 3.248 232 HA3 GLY 30 HA3 GLY 30 13.487 4.934 2.188 233 H LYS 31 H LYS 31 12.139 4.880 -0.146 234 HA LYS 31 HA LYS 31 9.543 6.075 0.501 235 HB2 LYS 31 HB2 LYS 31 11.421 6.529 -1.832 236 HB3 LYS 31 HB3 LYS 31 9.843 7.259 -1.673 237 HG2 LYS 31 HG2 LYS 31 10.563 8.479 0.296 238 HG3 LYS 31 HG3 LYS 31 12.133 7.674 0.232 239 HD2 LYS 31 HD2 LYS 31 12.388 9.847 -0.728 240 HD3 LYS 31 HD3 LYS 31 12.470 8.665 -2.034 241 HE2 LYS 31 HE2 LYS 31 11.117 10.427 -2.827 242 HE3 LYS 31 HE3 LYS 31 10.014 9.114 -2.420 243 HZ1 LYS 31 HZ1 LYS 31 9.653 10.257 -0.258 244 HZ2 LYS 31 HZ2 LYS 31 9.105 11.134 -1.597 245 HZ3 LYS 31 HZ3 LYS 31 10.558 11.566 -0.835 246 H ALA 32 H ALA 32 7.851 5.751 -1.160 247 HA ALA 32 HA ALA 32 8.206 3.561 -3.027 248 HB1 ALA 32 HB1 ALA 32 6.180 3.336 -0.803 249 HB2 ALA 32 HB2 ALA 32 7.673 2.407 -0.922 250 HB3 ALA 32 HB3 ALA 32 6.406 2.197 -2.131 251 H ALA 33 H ALA 33 6.728 3.622 -4.702 252 HA ALA 33 HA ALA 33 5.064 6.024 -4.799 253 HB1 ALA 33 HB1 ALA 33 5.779 4.029 -6.950 254 HB2 ALA 33 HB2 ALA 33 6.526 5.608 -6.698 255 HB3 ALA 33 HB3 ALA 33 4.836 5.499 -7.188 256 H VAL 34 H VAL 34 3.018 5.885 -4.202 257 HA VAL 34 HA VAL 34 1.754 3.236 -4.116 258 HB VAL 34 HB VAL 34 0.778 5.774 -2.802 259 HG11 VAL 34 HG11 VAL 34 0.134 2.864 -2.339 260 HG12 VAL 34 HG12 VAL 34 -0.928 4.079 -3.050 261 HG13 VAL 34 HG13 VAL 34 -0.458 4.203 -1.355 262 HG21 VAL 34 HG21 VAL 34 1.790 4.929 -0.726 263 HG22 VAL 34 HG22 VAL 34 2.999 5.289 -1.959 264 HG23 VAL 34 HG23 VAL 34 2.536 3.618 -1.641 265 H LEU 35 H LEU 35 0.261 2.737 -5.559 266 HA LEU 35 HA LEU 35 -0.954 4.860 -7.160 267 HG LEU 35 HG LEU 35 -2.956 3.191 -8.637 268 HB2 LEU 35 HB2 LEU 35 -0.002 2.810 -8.246 269 HB3 LEU 35 HB3 LEU 35 -1.244 1.884 -7.436 270 HD11 LEU 35 HD11 LEU 35 -0.600 4.314 -10.133 271 HD12 LEU 35 HD12 LEU 35 -1.676 5.213 -9.064 272 HD13 LEU 35 HD13 LEU 35 -2.294 4.532 -10.569 273 HD21 LEU 35 HD21 LEU 35 -2.266 1.022 -9.467 274 HD22 LEU 35 HD22 LEU 35 -0.945 1.773 -10.363 275 HD23 LEU 35 HD23 LEU 35 -2.617 2.115 -10.807 276 H PHE 36 H PHE 36 -2.637 5.734 -6.204 277 HA PHE 36 HA PHE 36 -4.428 4.168 -4.537 278 HD1 PHE 36 HD2 PHE 36 -4.468 5.518 -2.013 279 HD2 PHE 36 HD1 PHE 36 -2.405 7.863 -4.899 280 HE1 PHE 36 HE2 PHE 36 -2.756 6.068 -0.335 281 HE2 PHE 36 HE1 PHE 36 -0.687 8.423 -3.227 282 HZ PHE 36 HZ PHE 36 -0.862 7.523 -0.939 283 HB2 PHE 36 HB2 PHE 36 -4.594 7.081 -5.334 284 HB3 PHE 36 HB3 PHE 36 -5.554 6.293 -4.091 285 H GLU 37 H GLU 37 -6.552 3.711 -5.059 286 HA GLU 37 HA GLU 37 -7.459 4.459 -7.731 287 HB2 GLU 37 HB2 GLU 37 -6.296 2.251 -7.884 288 HB3 GLU 37 HB3 GLU 37 -7.478 1.598 -6.756 289 HG2 GLU 37 HG2 GLU 37 -9.268 2.074 -8.338 290 HG3 GLU 37 HG3 GLU 37 -8.095 2.766 -9.459 291 H ASN 38 H ASN 38 -9.514 4.983 -7.778 292 HA ASN 38 HA ASN 38 -11.382 3.851 -5.834 293 HB2 ASN 38 HB2 ASN 38 -10.672 6.002 -4.863 294 HB3 ASN 38 HB3 ASN 38 -11.091 6.825 -6.359 295 HD21 ASN 38 HD21 ASN 38 -12.979 4.242 -4.889 296 HD22 ASN 38 HD22 ASN 38 -14.349 5.231 -4.491 297 H GLY 39 H GLY 39 -12.299 2.670 -7.458 298 HA2 GLY 39 HA2 GLY 39 -13.885 2.307 -9.102 299 HA3 GLY 39 HA3 GLY 39 -14.099 4.048 -9.233 300 H ASN 40 H ASN 40 -13.468 4.930 -11.062 301 HA ASN 40 HA ASN 40 -11.751 3.437 -12.895 302 HB2 ASN 40 HB2 ASN 40 -13.908 4.620 -13.589 303 HB3 ASN 40 HB3 ASN 40 -13.052 6.133 -13.331 304 HD21 ASN 40 HD21 ASN 40 -14.233 5.133 -15.747 305 HD22 ASN 40 HD22 ASN 40 -12.961 5.015 -16.917 306 H TRP 41 H TRP 41 -11.761 6.175 -10.800 307 HA TRP 41 HA TRP 41 -9.517 7.527 -11.911 308 HD1 TRP 41 HD1 TRP 41 -9.042 10.561 -11.074 309 HE1 TRP 41 HE1 TRP 41 -7.391 11.582 -9.384 310 HE3 TRP 41 HE3 TRP 41 -9.710 7.299 -7.192 311 HZ2 TRP 41 HZ2 TRP 41 -6.494 11.078 -6.760 312 HZ3 TRP 41 HZ3 TRP 41 -8.419 7.642 -5.126 313 HH2 TRP 41 HH2 TRP 41 -6.845 9.493 -4.920 314 HB2 TRP 41 HB2 TRP 41 -11.077 8.832 -10.719 315 HB3 TRP 41 HB3 TRP 41 -11.019 7.783 -9.310 316 H ASP 42 H ASP 42 -7.462 7.494 -11.384 317 HA ASP 42 HA ASP 42 -6.521 5.991 -9.078 318 HB2 ASP 42 HB2 ASP 42 -4.847 4.761 -10.346 319 HB3 ASP 42 HB3 ASP 42 -6.448 4.377 -10.965 320 H LYS 43 H LYS 43 -4.320 6.540 -8.513 321 HA LYS 43 HA LYS 43 -3.162 8.875 -9.794 322 HB2 LYS 43 HB2 LYS 43 -5.023 9.624 -8.186 323 HB3 LYS 43 HB3 LYS 43 -3.954 9.095 -6.896 324 HG2 LYS 43 HG2 LYS 43 -2.263 10.685 -7.626 325 HG3 LYS 43 HG3 LYS 43 -3.311 11.198 -8.953 326 HD2 LYS 43 HD2 LYS 43 -5.024 11.833 -7.251 327 HD3 LYS 43 HD3 LYS 43 -3.835 11.483 -5.997 328 HE2 LYS 43 HE2 LYS 43 -2.340 13.178 -6.984 329 HE3 LYS 43 HE3 LYS 43 -3.587 13.551 -8.176 330 HZ1 LYS 43 HZ1 LYS 43 -3.714 15.133 -6.405 331 HZ2 LYS 43 HZ2 LYS 43 -3.769 13.909 -5.233 332 HZ3 LYS 43 HZ3 LYS 43 -5.073 14.124 -6.292 333 H LEU 44 H LEU 44 -1.039 8.512 -9.799 334 HA LEU 44 HA LEU 44 0.101 6.724 -7.792 335 HG LEU 44 HG LEU 44 3.059 7.267 -8.671 336 HB2 LEU 44 HB2 LEU 44 0.610 6.287 -10.148 337 HB3 LEU 44 HB3 LEU 44 1.304 7.889 -10.306 338 HD11 LEU 44 HD11 LEU 44 3.345 4.926 -8.063 339 HD12 LEU 44 HD12 LEU 44 1.830 4.526 -8.872 340 HD13 LEU 44 HD13 LEU 44 1.821 5.570 -7.450 341 HD21 LEU 44 HD21 LEU 44 3.492 7.068 -11.051 342 HD22 LEU 44 HD22 LEU 44 2.815 5.440 -11.056 343 HD23 LEU 44 HD23 LEU 44 4.299 5.774 -10.163 344 H VAL 45 H VAL 45 0.752 7.652 -5.984 345 HA VAL 45 HA VAL 45 2.293 10.160 -6.181 346 HB VAL 45 HB VAL 45 0.502 9.424 -3.856 347 HG11 VAL 45 HG11 VAL 45 2.001 11.954 -4.532 348 HG12 VAL 45 HG12 VAL 45 2.373 10.825 -3.227 349 HG13 VAL 45 HG13 VAL 45 0.881 11.764 -3.182 350 HG21 VAL 45 HG21 VAL 45 0.002 11.407 -6.075 351 HG22 VAL 45 HG22 VAL 45 -0.998 11.201 -4.637 352 HG23 VAL 45 HG23 VAL 45 -0.866 9.895 -5.814 353 H THR 46 H THR 46 4.286 10.011 -5.345 354 HA THR 46 HA THR 46 5.092 7.556 -4.071 355 HB THR 46 HB THR 46 6.843 9.962 -4.445 356 HG1 THR 46 HG1 THR 46 6.186 9.733 -6.497 357 HG21 THR 46 HG21 THR 46 7.815 8.140 -3.182 358 HG22 THR 46 HG22 THR 46 8.585 8.238 -4.766 359 HG23 THR 46 HG23 THR 46 7.376 6.994 -4.449 360 H PHE 47 H PHE 47 5.485 7.246 -2.009 361 HA PHE 47 HA PHE 47 5.588 9.526 -0.158 362 HD1 PHE 47 HD1 PHE 47 3.711 10.450 1.503 363 HD2 PHE 47 HD2 PHE 47 2.037 7.626 -1.202 364 HE1 PHE 47 HE1 PHE 47 1.802 11.951 1.126 365 HE2 PHE 47 HE2 PHE 47 0.123 9.121 -1.581 366 HZ PHE 47 HZ PHE 47 0.004 11.289 -0.418 367 HB2 PHE 47 HB2 PHE 47 3.891 7.041 0.063 368 HB3 PHE 47 HB3 PHE 47 4.340 7.982 1.481 369 H ARG 48 H ARG 48 5.866 7.934 2.156 370 HA ARG 48 HA ARG 48 8.423 6.592 1.620 371 HE ARG 48 HE ARG 48 7.312 9.620 4.967 372 HB2 ARG 48 HB2 ARG 48 7.373 7.841 4.165 373 HB3 ARG 48 HB3 ARG 48 8.884 6.956 4.034 374 HG2 ARG 48 HG2 ARG 48 9.785 8.598 2.536 375 HG3 ARG 48 HG3 ARG 48 8.237 9.444 2.476 376 HD2 ARG 48 HD2 ARG 48 9.939 9.077 4.941 377 HD3 ARG 48 HD3 ARG 48 9.857 10.548 3.970 378 HH11 ARG 48 HH11 ARG 48 10.105 11.638 5.599 379 HH12 ARG 48 HH12 ARG 48 9.261 12.650 6.735 380 HH21 ARG 48 HH21 ARG 48 6.196 10.967 6.439 381 HH22 ARG 48 HH22 ARG 48 7.057 12.278 7.207 382 H LEU 49 H LEU 49 8.838 4.883 3.427 383 HA LEU 49 HA LEU 49 6.739 2.927 3.105 384 HG LEU 49 HG LEU 49 9.678 2.977 2.028 385 HB2 LEU 49 HB2 LEU 49 9.435 2.734 4.458 386 HB3 LEU 49 HB3 LEU 49 8.337 1.389 4.217 387 HD11 LEU 49 HD11 LEU 49 11.237 1.562 3.227 388 HD12 LEU 49 HD12 LEU 49 10.913 0.896 1.626 389 HD13 LEU 49 HD13 LEU 49 10.154 0.181 3.048 390 HD21 LEU 49 HD21 LEU 49 7.896 0.546 1.879 391 HD22 LEU 49 HD22 LEU 49 8.757 1.280 0.526 392 HD23 LEU 49 HD23 LEU 49 7.479 2.175 1.348 393 H SER 50 H SER 50 8.067 4.962 5.590 394 HA SER 50 HA SER 50 6.778 3.752 7.805 395 HG SER 50 HG SER 50 7.103 7.384 7.105 396 HB2 SER 50 HB2 SER 50 7.157 6.019 8.873 397 HB3 SER 50 HB3 SER 50 8.604 5.242 8.233 398 H GLU 51 H GLU 51 5.662 5.582 5.174 399 HA GLU 51 HA GLU 51 3.409 6.758 6.603 400 HB2 GLU 51 HB2 GLU 51 3.741 6.742 3.617 401 HB3 GLU 51 HB3 GLU 51 2.901 7.915 4.620 402 HG2 GLU 51 HG2 GLU 51 5.879 7.528 4.434 403 HG3 GLU 51 HG3 GLU 51 4.942 8.849 3.747 404 H LEU 52 H LEU 52 4.114 3.800 5.199 405 HA LEU 52 HA LEU 52 1.337 3.344 4.347 406 HG LEU 52 HG LEU 52 3.702 4.211 2.478 407 HB2 LEU 52 HB2 LEU 52 3.866 1.955 3.468 408 HB3 LEU 52 HB3 LEU 52 2.252 1.598 2.894 409 HD11 LEU 52 HD11 LEU 52 4.705 2.394 1.215 410 HD12 LEU 52 HD12 LEU 52 3.842 3.498 0.145 411 HD13 LEU 52 HD13 LEU 52 3.122 1.947 0.575 412 HD21 LEU 52 HD21 LEU 52 1.281 4.497 2.600 413 HD22 LEU 52 HD22 LEU 52 1.060 3.219 1.404 414 HD23 LEU 52 HD23 LEU 52 1.858 4.724 0.949 415 H GLU 53 H GLU 53 0.196 1.700 5.195 416 HA GLU 53 HA GLU 53 1.656 -0.340 6.746 417 HB2 GLU 53 HB2 GLU 53 -1.198 0.608 7.019 418 HB3 GLU 53 HB3 GLU 53 -0.579 -0.840 7.794 419 HG2 GLU 53 HG2 GLU 53 1.148 0.672 8.882 420 HG3 GLU 53 HG3 GLU 53 0.140 2.015 8.335 421 H ALA 54 H ALA 54 1.931 -2.094 5.532 422 HA ALA 54 HA ALA 54 0.310 -2.781 3.310 423 HB1 ALA 54 HB1 ALA 54 2.172 -4.517 4.937 424 HB2 ALA 54 HB2 ALA 54 2.610 -3.565 3.517 425 HB3 ALA 54 HB3 ALA 54 1.501 -4.926 3.358 426 H VAL 55 H VAL 55 -1.511 -4.009 3.164 427 HA VAL 55 HA VAL 55 -2.891 -4.623 5.632 428 HB VAL 55 HB VAL 55 -3.921 -5.534 2.987 429 HG11 VAL 55 HG11 VAL 55 -5.195 -6.060 4.972 430 HG12 VAL 55 HG12 VAL 55 -6.078 -4.920 3.958 431 HG13 VAL 55 HG13 VAL 55 -5.252 -4.353 5.408 432 HG21 VAL 55 HG21 VAL 55 -3.964 -2.663 3.910 433 HG22 VAL 55 HG22 VAL 55 -4.896 -3.311 2.561 434 HG23 VAL 55 HG23 VAL 55 -3.133 -3.292 2.487 435 H LYS 56 H LYS 56 -3.872 -6.732 5.950 436 HA LYS 56 HA LYS 56 -3.561 -8.797 6.714 437 HB2 LYS 56 HB2 LYS 56 -3.616 -10.395 5.120 438 HB3 LYS 56 HB3 LYS 56 -3.996 -9.000 4.144 439 HG2 LYS 56 HG2 LYS 56 -1.651 -8.891 3.412 440 HG3 LYS 56 HG3 LYS 56 -1.315 -10.351 4.348 441 HD2 LYS 56 HD2 LYS 56 -2.794 -11.646 2.993 442 HD3 LYS 56 HD3 LYS 56 -3.398 -10.203 2.176 443 HE2 LYS 56 HE2 LYS 56 -0.566 -11.231 2.044 444 HE3 LYS 56 HE3 LYS 56 -1.795 -11.475 0.804 445 HZ1 LYS 56 HZ1 LYS 56 -1.930 -9.062 0.531 446 HZ2 LYS 56 HZ2 LYS 56 -0.364 -9.634 0.224 447 HZ3 LYS 56 HZ3 LYS 56 -0.714 -8.857 1.691 448 HA PRO 57 HA PRO 57 0.533 -9.296 8.289 449 HB2 PRO 57 HB2 PRO 57 0.386 -11.860 9.175 450 HB3 PRO 57 HB3 PRO 57 -0.400 -10.512 10.005 451 HG2 PRO 57 HG2 PRO 57 -1.570 -12.522 8.121 452 HG3 PRO 57 HG3 PRO 57 -2.237 -11.887 9.637 453 HD2 PRO 57 HD2 PRO 57 -3.037 -10.997 7.209 454 HD3 PRO 57 HD3 PRO 57 -2.994 -9.950 8.640 455 H ILE 58 H ILE 58 2.529 -10.369 7.868 456 HA ILE 58 HA ILE 58 2.877 -11.272 5.210 457 HB ILE 58 HB ILE 58 4.882 -11.963 7.321 458 HG12 ILE 58 HG12 ILE 58 4.427 -9.177 6.219 459 HG13 ILE 58 HG13 ILE 58 4.078 -9.675 7.871 460 HG21 ILE 58 HG21 ILE 58 5.058 -10.915 4.498 461 HG22 ILE 58 HG22 ILE 58 5.345 -12.574 5.025 462 HG23 ILE 58 HG23 ILE 58 6.441 -11.286 5.528 463 HD11 ILE 58 HD11 ILE 58 6.447 -10.117 8.239 464 HD12 ILE 58 HD12 ILE 58 6.169 -8.450 7.735 465 HD13 ILE 58 HD13 ILE 58 6.798 -9.628 6.581 466 H LEU 59 H LEU 59 3.587 -13.433 4.525 467 HA LEU 59 HA LEU 59 1.884 -15.335 5.967 468 HG LEU 59 HG LEU 59 0.148 -14.490 4.455 469 HB2 LEU 59 HB2 LEU 59 2.671 -15.297 3.058 470 HB3 LEU 59 HB3 LEU 59 1.665 -16.517 3.810 471 HD11 LEU 59 HD11 LEU 59 0.178 -12.706 2.777 472 HD12 LEU 59 HD12 LEU 59 1.657 -13.380 2.094 473 HD13 LEU 59 HD13 LEU 59 1.658 -12.735 3.735 474 HD21 LEU 59 HD21 LEU 59 0.313 -15.521 1.630 475 HD22 LEU 59 HD22 LEU 59 -1.095 -14.775 2.387 476 HD23 LEU 59 HD23 LEU 59 -0.489 -16.323 2.980 477 H GLU 60 H GLU 60 2.913 -16.708 7.169 478 HA GLU 60 HA GLU 60 4.150 -18.491 7.779 479 HB2 GLU 60 HB2 GLU 60 4.645 -18.881 4.833 480 HB3 GLU 60 HB3 GLU 60 4.765 -20.099 6.094 481 HG2 GLU 60 HG2 GLU 60 2.261 -18.727 5.137 482 HG3 GLU 60 HG3 GLU 60 2.721 -20.407 4.873 483 H HIS 61 H HIS 61 5.776 -17.412 8.860 484 HA HIS 61 HA HIS 61 8.380 -17.739 7.559 485 HD1 HIS 61 HD1 HIS 61 6.231 -14.570 6.787 486 HD2 HIS 61 HD2 HIS 61 10.312 -15.263 6.402 487 HE1 HIS 61 HE1 HIS 61 6.873 -13.646 4.532 488 HE2 HIS 61 HE2 HIS 61 9.364 -13.989 4.364 489 HB2 HIS 61 HB2 HIS 61 7.425 -15.260 8.985 490 HB3 HIS 61 HB3 HIS 61 9.137 -15.658 8.885 491 H HIS 62 H HIS 62 10.159 -17.814 9.165 492 HA HIS 62 HA HIS 62 9.341 -19.389 11.458 493 HD1 HIS 62 HD1 HIS 62 11.191 -22.092 11.344 494 HD2 HIS 62 HD2 HIS 62 11.478 -19.734 7.931 495 HE1 HIS 62 HE1 HIS 62 11.158 -23.691 9.405 496 HE2 HIS 62 HE2 HIS 62 11.109 -22.226 7.356 497 HB2 HIS 62 HB2 HIS 62 12.094 -18.608 10.461 498 HB3 HIS 62 HB3 HIS 62 11.792 -19.665 11.835 499 H HIS 63 H HIS 63 8.744 -18.381 13.234 500 HA HIS 63 HA HIS 63 10.149 -15.916 13.997 501 HD1 HIS 63 HD1 HIS 63 6.386 -14.898 16.195 502 HD2 HIS 63 HD2 HIS 63 9.609 -13.277 14.127 503 HE1 HIS 63 HE1 HIS 63 6.781 -12.632 17.214 504 HE2 HIS 63 HE2 HIS 63 8.846 -11.756 16.069 505 HB2 HIS 63 HB2 HIS 63 7.831 -15.529 13.044 506 HB3 HIS 63 HB3 HIS 63 7.200 -16.415 14.427 507 H HIS 64 H HIS 64 10.831 -15.833 16.059 508 HA HIS 64 HA HIS 64 10.749 -18.149 17.697 509 HD1 HIS 64 HD1 HIS 64 13.801 -18.027 19.279 510 HD2 HIS 64 HD2 HIS 64 13.228 -15.517 16.013 511 HE1 HIS 64 HE1 HIS 64 15.908 -18.196 17.912 512 HE2 HIS 64 HE2 HIS 64 15.611 -16.517 16.051 513 HB2 HIS 64 HB2 HIS 64 11.549 -15.299 18.339 514 HB3 HIS 64 HB3 HIS 64 11.722 -16.635 19.469 515 H HIS 65 H HIS 65 9.180 -18.847 18.970 516 HA HIS 65 HA HIS 65 6.769 -17.324 19.246 517 HD1 HIS 65 HD1 HIS 65 6.164 -19.777 22.654 518 HD2 HIS 65 HD2 HIS 65 3.990 -18.964 19.196 519 HE1 HIS 65 HE1 HIS 65 3.754 -19.657 23.372 520 HE2 HIS 65 HE2 HIS 65 2.465 -19.066 21.287 521 HB2 HIS 65 HB2 HIS 65 6.707 -19.770 18.979 522 HB3 HIS 65 HB3 HIS 65 7.544 -19.962 20.517 523 H HIS 66 H HIS 66 6.077 -16.129 20.886 524 HA HIS 66 HA HIS 66 7.107 -16.544 23.563 525 HD1 HIS 66 HD1 HIS 66 9.018 -15.220 25.295 526 HD2 HIS 66 HD2 HIS 66 6.374 -12.197 24.212 527 HE1 HIS 66 HE1 HIS 66 8.720 -13.810 27.351 528 HE2 HIS 66 HE2 HIS 66 6.968 -12.113 26.732 529 HB2 HIS 66 HB2 HIS 66 8.663 -14.856 22.670 530 HB3 HIS 66 HB3 HIS 66 7.301 -13.834 22.218 Start of MODEL 11 1 HA MET 1 HA MET 1 10.704 -2.707 4.704 2 H1 MET 1 H1 MET 1 8.767 -2.904 6.057 3 H2 MET 1 H2 MET 1 9.832 -4.174 6.427 4 H3 MET 1 H3 MET 1 8.459 -4.470 5.483 5 HB2 MET 1 HB2 MET 1 11.385 -5.066 4.794 6 HB3 MET 1 HB3 MET 1 10.017 -5.502 3.780 7 HG2 MET 1 HG2 MET 1 12.032 -5.439 2.462 8 HG3 MET 1 HG3 MET 1 10.947 -4.144 1.959 9 HE1 MET 1 HE1 MET 1 12.884 -2.895 0.672 10 HE2 MET 1 HE2 MET 1 13.984 -4.206 1.102 11 HE3 MET 1 HE3 MET 1 14.454 -2.529 1.385 12 H ILE 2 H ILE 2 7.768 -4.447 3.746 13 HA ILE 2 HA ILE 2 6.100 -3.935 2.291 14 HB ILE 2 HB ILE 2 7.536 -1.307 1.866 15 HG12 ILE 2 HG12 ILE 2 5.094 -1.981 3.525 16 HG13 ILE 2 HG13 ILE 2 6.701 -1.668 4.171 17 HG21 ILE 2 HG21 ILE 2 4.772 -2.155 1.024 18 HG22 ILE 2 HG22 ILE 2 6.144 -1.865 -0.045 19 HG23 ILE 2 HG23 ILE 2 5.440 -0.530 0.869 20 HD11 ILE 2 HD11 ILE 2 4.993 0.299 2.665 21 HD12 ILE 2 HD12 ILE 2 6.599 0.612 3.325 22 HD13 ILE 2 HD13 ILE 2 5.252 0.262 4.409 23 H PHE 3 H PHE 3 5.729 -4.277 0.089 24 HA PHE 3 HA PHE 3 8.137 -4.647 -1.549 25 HD1 PHE 3 HD1 PHE 3 9.574 -7.025 -1.316 26 HD2 PHE 3 HD2 PHE 3 6.014 -7.336 0.994 27 HE1 PHE 3 HE1 PHE 3 10.835 -8.152 0.471 28 HE2 PHE 3 HE2 PHE 3 7.269 -8.466 2.783 29 HZ PHE 3 HZ PHE 3 9.682 -8.874 2.524 30 HB2 PHE 3 HB2 PHE 3 5.895 -6.661 -1.246 31 HB3 PHE 3 HB3 PHE 3 7.276 -6.820 -2.322 32 HA PRO 4 HA PRO 4 5.716 -2.765 -4.803 33 HB2 PRO 4 HB2 PRO 4 7.237 -4.546 -6.610 34 HB3 PRO 4 HB3 PRO 4 7.123 -2.782 -6.606 35 HG2 PRO 4 HG2 PRO 4 9.348 -4.035 -5.805 36 HG3 PRO 4 HG3 PRO 4 8.789 -2.547 -5.021 37 HD2 PRO 4 HD2 PRO 4 8.564 -5.379 -4.094 38 HD3 PRO 4 HD3 PRO 4 8.912 -3.911 -3.159 39 H GLY 5 H GLY 5 3.727 -3.321 -5.386 40 HA2 GLY 5 HA2 GLY 5 2.176 -4.724 -6.537 41 HA3 GLY 5 HA3 GLY 5 3.177 -6.111 -6.133 42 H ALA 6 H ALA 6 3.146 -4.344 -3.407 43 HA ALA 6 HA ALA 6 0.922 -5.915 -2.305 44 HB1 ALA 6 HB1 ALA 6 3.239 -4.612 -0.880 45 HB2 ALA 6 HB2 ALA 6 3.115 -6.319 -1.301 46 HB3 ALA 6 HB3 ALA 6 1.996 -5.614 -0.134 47 H THR 7 H THR 7 -0.481 -4.946 -0.764 48 HA THR 7 HA THR 7 -1.136 -2.199 -1.419 49 HB THR 7 HB THR 7 -2.621 -3.998 0.497 50 HG1 THR 7 HG1 THR 7 -3.872 -4.254 -1.705 51 HG21 THR 7 HG21 THR 7 -3.513 -1.745 -1.312 52 HG22 THR 7 HG22 THR 7 -3.299 -1.641 0.434 53 HG23 THR 7 HG23 THR 7 -4.557 -2.677 -0.238 54 H VAL 8 H VAL 8 -0.867 -0.492 -0.086 55 HA VAL 8 HA VAL 8 -0.032 -1.030 2.687 56 HB VAL 8 HB VAL 8 1.309 1.078 2.584 57 HG11 VAL 8 HG11 VAL 8 2.349 -1.129 2.434 58 HG12 VAL 8 HG12 VAL 8 3.219 0.062 1.465 59 HG13 VAL 8 HG13 VAL 8 2.151 -1.104 0.683 60 HG21 VAL 8 HG21 VAL 8 1.975 1.930 0.386 61 HG22 VAL 8 HG22 VAL 8 0.238 2.100 0.647 62 HG23 VAL 8 HG23 VAL 8 0.852 0.810 -0.387 63 H ARG 9 H ARG 9 -0.594 0.568 4.233 64 HA ARG 9 HA ARG 9 -3.025 2.051 3.473 65 HE ARG 9 HE ARG 9 -6.412 2.234 7.265 66 HB2 ARG 9 HB2 ARG 9 -3.326 0.180 5.069 67 HB3 ARG 9 HB3 ARG 9 -2.190 0.948 6.163 68 HG2 ARG 9 HG2 ARG 9 -3.723 2.849 6.399 69 HG3 ARG 9 HG3 ARG 9 -4.870 2.034 5.328 70 HD2 ARG 9 HD2 ARG 9 -4.931 0.131 6.890 71 HD3 ARG 9 HD3 ARG 9 -3.851 1.004 7.972 72 HH11 ARG 9 HH11 ARG 9 -4.342 0.678 9.627 73 HH12 ARG 9 HH12 ARG 9 -5.404 1.015 10.967 74 HH21 ARG 9 HH21 ARG 9 -7.784 2.721 9.024 75 HH22 ARG 9 HH22 ARG 9 -7.355 2.210 10.629 76 H VAL 10 H VAL 10 -2.796 4.207 3.455 77 HA VAL 10 HA VAL 10 -0.417 5.429 4.509 78 HB VAL 10 HB VAL 10 -2.876 6.823 3.444 79 HG11 VAL 10 HG11 VAL 10 -1.326 8.651 2.948 80 HG12 VAL 10 HG12 VAL 10 -0.010 7.732 3.677 81 HG13 VAL 10 HG13 VAL 10 -1.361 8.280 4.671 82 HG21 VAL 10 HG21 VAL 10 -1.723 6.886 1.282 83 HG22 VAL 10 HG22 VAL 10 -2.072 5.233 1.791 84 HG23 VAL 10 HG23 VAL 10 -0.436 5.876 1.945 85 H THR 11 H THR 11 -0.322 5.364 6.696 86 HA THR 11 HA THR 11 -2.634 6.365 8.199 87 HB THR 11 HB THR 11 -1.381 5.366 10.180 88 HG1 THR 11 HG1 THR 11 0.375 4.183 9.799 89 HG21 THR 11 HG21 THR 11 -2.146 3.091 9.669 90 HG22 THR 11 HG22 THR 11 -2.292 3.523 7.966 91 HG23 THR 11 HG23 THR 11 -3.331 4.295 9.162 92 H ASN 12 H ASN 12 -0.216 7.762 6.800 93 HA ASN 12 HA ASN 12 1.203 9.153 8.792 94 HB2 ASN 12 HB2 ASN 12 1.869 9.083 6.403 95 HB3 ASN 12 HB3 ASN 12 0.478 10.083 6.001 96 HD21 ASN 12 HD21 ASN 12 1.817 11.670 5.124 97 HD22 ASN 12 HD22 ASN 12 2.757 12.721 6.128 98 H VAL 13 H VAL 13 0.375 10.437 10.300 99 HA VAL 13 HA VAL 13 -2.364 11.188 10.250 100 HB VAL 13 HB VAL 13 -0.245 12.141 12.173 101 HG11 VAL 13 HG11 VAL 13 -2.313 13.389 12.344 102 HG12 VAL 13 HG12 VAL 13 -2.121 12.340 13.748 103 HG13 VAL 13 HG13 VAL 13 -3.235 11.889 12.457 104 HG21 VAL 13 HG21 VAL 13 -0.876 10.238 13.577 105 HG22 VAL 13 HG22 VAL 13 -0.213 9.710 12.030 106 HG23 VAL 13 HG23 VAL 13 -1.954 9.661 12.308 107 H ASP 14 H ASP 14 0.588 12.821 9.462 108 HA ASP 14 HA ASP 14 -0.829 15.373 9.149 109 HB2 ASP 14 HB2 ASP 14 1.329 15.365 10.402 110 HB3 ASP 14 HB3 ASP 14 2.142 14.780 8.958 111 H ASP 15 H ASP 15 -1.514 13.309 7.431 112 HA ASP 15 HA ASP 15 -0.347 14.192 4.869 113 HB2 ASP 15 HB2 ASP 15 -0.068 11.715 5.722 114 HB3 ASP 15 HB3 ASP 15 -1.729 11.549 5.161 115 H THR 16 H THR 16 -2.056 13.272 3.082 116 HA THR 16 HA THR 16 -4.611 14.584 3.762 117 HB THR 16 HB THR 16 -3.426 14.146 1.012 118 HG1 THR 16 HG1 THR 16 -2.862 16.000 2.930 119 HG21 THR 16 HG21 THR 16 -5.855 14.412 1.022 120 HG22 THR 16 HG22 THR 16 -5.076 15.827 0.315 121 HG23 THR 16 HG23 THR 16 -5.698 15.896 1.964 122 H TYR 17 H TYR 17 -3.070 11.696 2.574 123 HA TYR 17 HA TYR 17 -5.674 10.535 1.863 124 HD1 TYR 17 HD1 TYR 17 -5.967 10.003 -0.742 125 HD2 TYR 17 HD2 TYR 17 -1.974 11.323 -0.077 126 HE1 TYR 17 HE1 TYR 17 -6.092 11.386 -2.770 127 HE2 TYR 17 HE2 TYR 17 -2.091 12.714 -2.104 128 HH TYR 17 HH TYR 17 -4.989 13.446 -3.654 129 HB2 TYR 17 HB2 TYR 17 -2.861 9.601 1.260 130 HB3 TYR 17 HB3 TYR 17 -4.327 8.756 0.767 131 H TYR 18 H TYR 18 -5.097 10.919 4.573 132 HA TYR 18 HA TYR 18 -4.075 8.687 5.919 133 HD1 TYR 18 HD1 TYR 18 -6.803 8.191 8.194 134 HD2 TYR 18 HD2 TYR 18 -3.364 10.624 8.760 135 HE1 TYR 18 HE1 TYR 18 -6.468 7.190 10.410 136 HE2 TYR 18 HE2 TYR 18 -3.020 9.625 10.979 137 HH TYR 18 HH TYR 18 -4.505 8.491 12.739 138 HB2 TYR 18 HB2 TYR 18 -4.665 10.967 6.888 139 HB3 TYR 18 HB3 TYR 18 -6.342 10.439 6.894 140 H ARG 19 H ARG 19 -4.784 6.694 6.103 141 HA ARG 19 HA ARG 19 -6.144 4.907 6.428 142 HE ARG 19 HE ARG 19 -8.281 6.164 10.643 143 HB2 ARG 19 HB2 ARG 19 -8.303 6.976 6.330 144 HB3 ARG 19 HB3 ARG 19 -8.708 5.268 6.277 145 HG2 ARG 19 HG2 ARG 19 -7.564 4.928 8.410 146 HG3 ARG 19 HG3 ARG 19 -7.154 6.645 8.456 147 HD2 ARG 19 HD2 ARG 19 -9.511 7.226 8.490 148 HD3 ARG 19 HD3 ARG 19 -9.950 5.523 8.386 149 HH11 ARG 19 HH11 ARG 19 -11.544 5.854 9.427 150 HH12 ARG 19 HH12 ARG 19 -12.273 5.839 11.006 151 HH21 ARG 19 HH21 ARG 19 -9.215 6.102 12.729 152 HH22 ARG 19 HH22 ARG 19 -10.945 5.951 12.893 153 H PHE 20 H PHE 20 -5.693 6.529 3.660 154 HA PHE 20 HA PHE 20 -7.406 4.892 2.002 155 HD1 PHE 20 HD1 PHE 20 -6.929 8.298 2.820 156 HD2 PHE 20 HD2 PHE 20 -7.872 6.583 -0.959 157 HE1 PHE 20 HE1 PHE 20 -8.785 9.889 2.565 158 HE2 PHE 20 HE2 PHE 20 -9.733 8.173 -1.217 159 HZ PHE 20 HZ PHE 20 -10.189 9.830 0.548 160 HB2 PHE 20 HB2 PHE 20 -5.263 6.908 1.398 161 HB3 PHE 20 HB3 PHE 20 -5.956 5.903 0.142 162 H GLU 21 H GLU 21 -6.678 3.316 0.566 163 HA GLU 21 HA GLU 21 -4.110 2.086 1.291 164 HB2 GLU 21 HB2 GLU 21 -6.751 0.690 0.806 165 HB3 GLU 21 HB3 GLU 21 -5.210 -0.130 1.017 166 HG2 GLU 21 HG2 GLU 21 -5.029 0.732 3.276 167 HG3 GLU 21 HG3 GLU 21 -6.528 1.636 3.070 168 H GLY 22 H GLY 22 -2.823 1.708 -0.385 169 HA2 GLY 22 HA2 GLY 22 -4.018 1.379 -3.051 170 HA3 GLY 22 HA3 GLY 22 -2.792 2.619 -2.811 171 H LEU 23 H LEU 23 -2.202 0.833 -4.681 172 HA LEU 23 HA LEU 23 -0.675 -1.319 -3.424 173 HG LEU 23 HG LEU 23 -1.950 -3.187 -4.254 174 HB2 LEU 23 HB2 LEU 23 -1.761 -0.872 -6.177 175 HB3 LEU 23 HB3 LEU 23 -0.457 -2.001 -5.918 176 HD11 LEU 23 HD11 LEU 23 -3.531 -1.395 -3.829 177 HD12 LEU 23 HD12 LEU 23 -4.362 -2.809 -4.477 178 HD13 LEU 23 HD13 LEU 23 -4.042 -1.421 -5.515 179 HD21 LEU 23 HD21 LEU 23 -1.560 -4.064 -6.480 180 HD22 LEU 23 HD22 LEU 23 -2.841 -3.039 -7.126 181 HD23 LEU 23 HD23 LEU 23 -3.235 -4.334 -5.995 182 H VAL 24 H VAL 24 1.434 -1.168 -3.227 183 HA VAL 24 HA VAL 24 2.956 1.034 -4.177 184 HB VAL 24 HB VAL 24 3.917 -1.655 -3.173 185 HG11 VAL 24 HG11 VAL 24 5.664 -0.485 -4.393 186 HG12 VAL 24 HG12 VAL 24 6.016 -0.481 -2.665 187 HG13 VAL 24 HG13 VAL 24 5.382 0.971 -3.440 188 HG21 VAL 24 HG21 VAL 24 2.524 -0.540 -1.536 189 HG22 VAL 24 HG22 VAL 24 3.461 0.943 -1.714 190 HG23 VAL 24 HG23 VAL 24 4.213 -0.496 -1.027 191 H GLN 25 H GLN 25 3.632 1.388 -6.172 192 HA GLN 25 HA GLN 25 3.610 -0.712 -8.151 193 HB2 GLN 25 HB2 GLN 25 4.566 2.152 -8.290 194 HB3 GLN 25 HB3 GLN 25 4.460 1.068 -9.665 195 HG2 GLN 25 HG2 GLN 25 2.169 2.035 -7.974 196 HG3 GLN 25 HG3 GLN 25 2.559 2.559 -9.610 197 HE21 GLN 25 HE21 GLN 25 1.220 0.037 -7.648 198 HE22 GLN 25 HE22 GLN 25 0.545 -0.888 -8.943 199 H ARG 26 H ARG 26 5.958 1.022 -6.265 200 HA ARG 26 HA ARG 26 7.948 -0.949 -6.523 201 HE ARG 26 HE ARG 26 8.654 0.789 -10.511 202 HB2 ARG 26 HB2 ARG 26 9.645 0.327 -7.742 203 HB3 ARG 26 HB3 ARG 26 8.243 0.028 -8.757 204 HG2 ARG 26 HG2 ARG 26 7.467 2.303 -8.384 205 HG3 ARG 26 HG3 ARG 26 8.848 2.610 -7.328 206 HD2 ARG 26 HD2 ARG 26 9.233 3.510 -9.561 207 HD3 ARG 26 HD3 ARG 26 10.367 2.210 -9.198 208 HH11 ARG 26 HH11 ARG 26 9.505 4.111 -11.197 209 HH12 ARG 26 HH12 ARG 26 9.172 3.992 -12.894 210 HH21 ARG 26 HH21 ARG 26 8.211 0.607 -12.742 211 HH22 ARG 26 HH22 ARG 26 8.446 1.982 -13.784 212 H VAL 27 H VAL 27 9.451 -0.697 -4.977 213 HA VAL 27 HA VAL 27 9.247 1.653 -3.242 214 HB VAL 27 HB VAL 27 10.741 -0.934 -2.737 215 HG11 VAL 27 HG11 VAL 27 11.619 0.985 -1.493 216 HG12 VAL 27 HG12 VAL 27 10.838 -0.178 -0.420 217 HG13 VAL 27 HG13 VAL 27 10.006 1.313 -0.862 218 HG21 VAL 27 HG21 VAL 27 8.901 -1.515 -1.235 219 HG22 VAL 27 HG22 VAL 27 8.336 -1.332 -2.896 220 HG23 VAL 27 HG23 VAL 27 8.040 -0.054 -1.718 221 H SER 28 H SER 28 10.429 3.187 -4.317 222 HA SER 28 HA SER 28 13.140 2.463 -5.171 223 HG SER 28 HG SER 28 11.138 5.331 -5.077 224 HB2 SER 28 HB2 SER 28 12.993 4.610 -6.494 225 HB3 SER 28 HB3 SER 28 11.841 3.364 -6.973 226 H ASP 29 H ASP 29 14.640 2.884 -3.752 227 HA ASP 29 HA ASP 29 16.019 3.975 -2.331 228 HB2 ASP 29 HB2 ASP 29 15.786 5.722 -4.167 229 HB3 ASP 29 HB3 ASP 29 14.633 6.538 -3.113 230 H GLY 30 H GLY 30 13.619 2.910 -1.264 231 HA2 GLY 30 HA2 GLY 30 12.855 2.786 0.924 232 HA3 GLY 30 HA3 GLY 30 13.691 4.293 1.268 233 H LYS 31 H LYS 31 11.862 4.743 -1.455 234 HA LYS 31 HA LYS 31 9.547 5.675 0.083 235 HB2 LYS 31 HB2 LYS 31 10.779 6.720 -2.471 236 HB3 LYS 31 HB3 LYS 31 9.285 7.304 -1.779 237 HG2 LYS 31 HG2 LYS 31 10.347 8.294 0.034 238 HG3 LYS 31 HG3 LYS 31 11.805 7.327 -0.181 239 HD2 LYS 31 HD2 LYS 31 10.844 9.505 -2.033 240 HD3 LYS 31 HD3 LYS 31 12.161 9.646 -0.865 241 HE2 LYS 31 HE2 LYS 31 13.303 7.764 -2.055 242 HE3 LYS 31 HE3 LYS 31 12.043 7.856 -3.285 243 HZ1 LYS 31 HZ1 LYS 31 12.705 10.210 -3.619 244 HZ2 LYS 31 HZ2 LYS 31 13.909 9.093 -4.034 245 HZ3 LYS 31 HZ3 LYS 31 14.018 9.951 -2.574 246 H ALA 32 H ALA 32 7.501 5.273 -0.817 247 HA ALA 32 HA ALA 32 7.534 3.090 -2.799 248 HB1 ALA 32 HB1 ALA 32 5.567 2.177 -1.703 249 HB2 ALA 32 HB2 ALA 32 5.577 3.506 -0.543 250 HB3 ALA 32 HB3 ALA 32 6.898 2.337 -0.557 251 H ALA 33 H ALA 33 6.553 3.501 -4.658 252 HA ALA 33 HA ALA 33 4.875 5.843 -4.951 253 HB1 ALA 33 HB1 ALA 33 5.606 3.704 -6.956 254 HB2 ALA 33 HB2 ALA 33 6.461 5.230 -6.722 255 HB3 ALA 33 HB3 ALA 33 4.799 5.230 -7.315 256 H VAL 34 H VAL 34 2.909 5.630 -4.043 257 HA VAL 34 HA VAL 34 1.583 3.033 -4.090 258 HB VAL 34 HB VAL 34 0.741 5.580 -2.695 259 HG11 VAL 34 HG11 VAL 34 -0.654 4.087 -1.334 260 HG12 VAL 34 HG12 VAL 34 -0.165 2.724 -2.341 261 HG13 VAL 34 HG13 VAL 34 -1.107 4.043 -3.037 262 HG21 VAL 34 HG21 VAL 34 2.897 4.846 -1.868 263 HG22 VAL 34 HG22 VAL 34 2.277 3.210 -1.639 264 HG23 VAL 34 HG23 VAL 34 1.649 4.537 -0.662 265 H LEU 35 H LEU 35 0.135 2.554 -5.565 266 HA LEU 35 HA LEU 35 -1.003 4.654 -7.237 267 HG LEU 35 HG LEU 35 -2.985 2.896 -8.738 268 HB2 LEU 35 HB2 LEU 35 -0.044 2.573 -8.211 269 HB3 LEU 35 HB3 LEU 35 -1.303 1.660 -7.417 270 HD11 LEU 35 HD11 LEU 35 -0.577 4.025 -10.152 271 HD12 LEU 35 HD12 LEU 35 -1.736 4.927 -9.175 272 HD13 LEU 35 HD13 LEU 35 -2.250 4.185 -10.688 273 HD21 LEU 35 HD21 LEU 35 -2.511 1.759 -10.865 274 HD22 LEU 35 HD22 LEU 35 -2.228 0.717 -9.471 275 HD23 LEU 35 HD23 LEU 35 -0.863 1.450 -10.315 276 H PHE 36 H PHE 36 -2.973 5.434 -6.940 277 HA PHE 36 HA PHE 36 -4.845 3.897 -5.266 278 HD1 PHE 36 HD2 PHE 36 -5.378 4.944 -2.736 279 HD2 PHE 36 HD1 PHE 36 -2.715 7.496 -4.857 280 HE1 PHE 36 HE2 PHE 36 -4.037 5.231 -0.695 281 HE2 PHE 36 HE1 PHE 36 -1.365 7.787 -2.822 282 HZ PHE 36 HZ PHE 36 -2.029 6.652 -0.736 283 HB2 PHE 36 HB2 PHE 36 -4.762 6.866 -5.822 284 HB3 PHE 36 HB3 PHE 36 -6.005 6.057 -4.881 285 H GLU 37 H GLU 37 -6.888 3.547 -5.946 286 HA GLU 37 HA GLU 37 -7.685 4.506 -8.590 287 HB2 GLU 37 HB2 GLU 37 -6.704 2.223 -8.840 288 HB3 GLU 37 HB3 GLU 37 -7.907 1.614 -7.714 289 HG2 GLU 37 HG2 GLU 37 -9.687 2.268 -9.265 290 HG3 GLU 37 HG3 GLU 37 -8.473 2.869 -10.394 291 H ASN 38 H ASN 38 -9.722 5.233 -8.574 292 HA ASN 38 HA ASN 38 -11.571 4.208 -6.535 293 HB2 ASN 38 HB2 ASN 38 -10.627 6.354 -5.715 294 HB3 ASN 38 HB3 ASN 38 -11.231 7.148 -7.166 295 HD21 ASN 38 HD21 ASN 38 -12.628 8.511 -6.160 296 HD22 ASN 38 HD22 ASN 38 -14.036 7.983 -5.310 297 H GLY 39 H GLY 39 -12.566 3.030 -8.174 298 HA2 GLY 39 HA2 GLY 39 -14.296 2.705 -9.661 299 HA3 GLY 39 HA3 GLY 39 -14.647 4.420 -9.541 300 H ASN 40 H ASN 40 -13.312 5.882 -10.807 301 HA ASN 40 HA ASN 40 -12.176 4.634 -13.229 302 HB2 ASN 40 HB2 ASN 40 -14.535 5.710 -13.419 303 HB3 ASN 40 HB3 ASN 40 -13.689 7.242 -13.281 304 HD21 ASN 40 HD21 ASN 40 -15.251 6.149 -15.480 305 HD22 ASN 40 HD22 ASN 40 -14.201 6.148 -16.853 306 H TRP 41 H TRP 41 -11.702 6.497 -10.564 307 HA TRP 41 HA TRP 41 -9.859 8.400 -11.761 308 HD1 TRP 41 HD1 TRP 41 -9.365 11.143 -10.582 309 HE1 TRP 41 HE1 TRP 41 -7.515 12.078 -9.054 310 HE3 TRP 41 HE3 TRP 41 -9.220 7.391 -7.104 311 HZ2 TRP 41 HZ2 TRP 41 -6.184 11.318 -6.683 312 HZ3 TRP 41 HZ3 TRP 41 -7.633 7.579 -5.236 313 HH2 TRP 41 HH2 TRP 41 -6.146 9.501 -5.032 314 HB2 TRP 41 HB2 TRP 41 -11.265 9.248 -10.038 315 HB3 TRP 41 HB3 TRP 41 -10.806 7.969 -8.929 316 H ASP 42 H ASP 42 -7.732 8.370 -11.601 317 HA ASP 42 HA ASP 42 -6.417 6.195 -10.106 318 HB2 ASP 42 HB2 ASP 42 -5.803 6.979 -12.966 319 HB3 ASP 42 HB3 ASP 42 -4.816 5.904 -11.992 320 H LYS 43 H LYS 43 -4.393 6.709 -9.305 321 HA LYS 43 HA LYS 43 -2.953 9.021 -10.130 322 HB2 LYS 43 HB2 LYS 43 -4.619 10.219 -8.850 323 HB3 LYS 43 HB3 LYS 43 -4.374 9.158 -7.468 324 HG2 LYS 43 HG2 LYS 43 -2.215 10.043 -7.058 325 HG3 LYS 43 HG3 LYS 43 -2.202 10.902 -8.598 326 HD2 LYS 43 HD2 LYS 43 -4.226 11.481 -6.452 327 HD3 LYS 43 HD3 LYS 43 -2.653 12.281 -6.506 328 HE2 LYS 43 HE2 LYS 43 -3.180 13.028 -8.817 329 HE3 LYS 43 HE3 LYS 43 -4.790 12.333 -8.635 330 HZ1 LYS 43 HZ1 LYS 43 -4.556 14.790 -8.191 331 HZ2 LYS 43 HZ2 LYS 43 -3.736 14.377 -6.764 332 HZ3 LYS 43 HZ3 LYS 43 -5.346 13.889 -6.991 333 H LEU 44 H LEU 44 -0.877 8.870 -9.605 334 HA LEU 44 HA LEU 44 -0.078 6.710 -7.779 335 HG LEU 44 HG LEU 44 2.946 7.181 -8.199 336 HB2 LEU 44 HB2 LEU 44 0.699 6.508 -10.098 337 HB3 LEU 44 HB3 LEU 44 1.454 8.087 -9.988 338 HD11 LEU 44 HD11 LEU 44 3.132 4.770 -7.948 339 HD12 LEU 44 HD12 LEU 44 1.768 4.538 -9.042 340 HD13 LEU 44 HD13 LEU 44 1.522 5.324 -7.482 341 HD21 LEU 44 HD21 LEU 44 4.391 5.950 -9.717 342 HD22 LEU 44 HD22 LEU 44 3.696 7.362 -10.513 343 HD23 LEU 44 HD23 LEU 44 3.052 5.755 -10.849 344 H VAL 45 H VAL 45 0.345 7.476 -5.792 345 HA VAL 45 HA VAL 45 1.790 10.042 -5.600 346 HB VAL 45 HB VAL 45 0.017 8.840 -3.469 347 HG11 VAL 45 HG11 VAL 45 0.185 11.062 -2.438 348 HG12 VAL 45 HG12 VAL 45 1.294 11.562 -3.716 349 HG13 VAL 45 HG13 VAL 45 1.759 10.284 -2.595 350 HG21 VAL 45 HG21 VAL 45 -1.338 9.476 -5.392 351 HG22 VAL 45 HG22 VAL 45 -0.608 11.081 -5.392 352 HG23 VAL 45 HG23 VAL 45 -1.616 10.570 -4.037 353 H THR 46 H THR 46 3.829 9.785 -5.027 354 HA THR 46 HA THR 46 4.785 7.357 -3.847 355 HB THR 46 HB THR 46 6.437 9.840 -4.008 356 HG1 THR 46 HG1 THR 46 6.629 8.513 -6.325 357 HG21 THR 46 HG21 THR 46 7.005 6.937 -4.596 358 HG22 THR 46 HG22 THR 46 7.408 7.783 -3.102 359 HG23 THR 46 HG23 THR 46 8.187 8.246 -4.615 360 H PHE 47 H PHE 47 5.046 6.949 -1.774 361 HA PHE 47 HA PHE 47 5.007 9.176 0.156 362 HD1 PHE 47 HD1 PHE 47 2.916 9.861 1.630 363 HD2 PHE 47 HD2 PHE 47 1.789 6.592 -0.846 364 HE1 PHE 47 HE1 PHE 47 0.750 10.941 1.194 365 HE2 PHE 47 HE2 PHE 47 -0.372 7.671 -1.295 366 HZ PHE 47 HZ PHE 47 -0.894 9.848 -0.273 367 HB2 PHE 47 HB2 PHE 47 3.723 6.452 0.412 368 HB3 PHE 47 HB3 PHE 47 3.974 7.530 1.775 369 H ARG 48 H ARG 48 5.783 8.189 2.385 370 HA ARG 48 HA ARG 48 8.380 6.966 1.843 371 HE ARG 48 HE ARG 48 7.957 12.144 3.151 372 HB2 ARG 48 HB2 ARG 48 7.454 8.127 4.470 373 HB3 ARG 48 HB3 ARG 48 9.096 7.813 3.950 374 HG2 ARG 48 HG2 ARG 48 8.942 10.109 3.810 375 HG3 ARG 48 HG3 ARG 48 8.627 9.608 2.148 376 HD2 ARG 48 HD2 ARG 48 6.297 9.954 2.384 377 HD3 ARG 48 HD3 ARG 48 6.419 10.094 4.135 378 HH11 ARG 48 HH11 ARG 48 4.630 11.144 2.736 379 HH12 ARG 48 HH12 ARG 48 4.015 12.760 2.581 380 HH21 ARG 48 HH21 ARG 48 7.151 14.286 2.997 381 HH22 ARG 48 HH22 ARG 48 5.449 14.549 2.763 382 H LEU 49 H LEU 49 9.078 5.218 3.241 383 HA LEU 49 HA LEU 49 7.017 3.274 3.625 384 HG LEU 49 HG LEU 49 9.771 3.313 2.000 385 HB2 LEU 49 HB2 LEU 49 9.929 3.188 4.425 386 HB3 LEU 49 HB3 LEU 49 8.832 1.821 4.450 387 HD11 LEU 49 HD11 LEU 49 10.371 0.540 3.016 388 HD12 LEU 49 HD12 LEU 49 11.491 1.901 2.944 389 HD13 LEU 49 HD13 LEU 49 10.873 1.188 1.455 390 HD21 LEU 49 HD21 LEU 49 7.482 2.560 1.707 391 HD22 LEU 49 HD22 LEU 49 7.928 0.938 2.233 392 HD23 LEU 49 HD23 LEU 49 8.581 1.587 0.729 393 H SER 50 H SER 50 8.903 5.411 5.607 394 HA SER 50 HA SER 50 8.087 4.408 8.131 395 HG SER 50 HG SER 50 8.612 7.839 6.894 396 HB2 SER 50 HB2 SER 50 8.868 6.752 8.858 397 HB3 SER 50 HB3 SER 50 10.062 5.699 8.099 398 H GLU 51 H GLU 51 6.470 6.079 5.706 399 HA GLU 51 HA GLU 51 4.554 7.274 7.614 400 HB2 GLU 51 HB2 GLU 51 5.452 8.031 4.880 401 HB3 GLU 51 HB3 GLU 51 3.780 8.366 5.302 402 HG2 GLU 51 HG2 GLU 51 5.299 10.274 5.673 403 HG3 GLU 51 HG3 GLU 51 4.449 9.759 7.126 404 H LEU 52 H LEU 52 4.851 4.449 6.148 405 HA LEU 52 HA LEU 52 2.012 4.304 5.405 406 HG LEU 52 HG LEU 52 3.993 5.099 3.244 407 HB2 LEU 52 HB2 LEU 52 4.371 2.864 4.207 408 HB3 LEU 52 HB3 LEU 52 2.706 2.447 3.873 409 HD11 LEU 52 HD11 LEU 52 4.850 3.297 1.845 410 HD12 LEU 52 HD12 LEU 52 3.819 4.384 0.915 411 HD13 LEU 52 HD13 LEU 52 3.202 2.817 1.439 412 HD21 LEU 52 HD21 LEU 52 1.940 5.561 2.019 413 HD22 LEU 52 HD22 LEU 52 1.600 5.284 3.727 414 HD23 LEU 52 HD23 LEU 52 1.265 4.019 2.543 415 H GLU 53 H GLU 53 0.839 2.557 6.063 416 HA GLU 53 HA GLU 53 2.106 0.803 8.048 417 HB2 GLU 53 HB2 GLU 53 0.115 2.033 8.807 418 HB3 GLU 53 HB3 GLU 53 -0.820 1.364 7.479 419 HG2 GLU 53 HG2 GLU 53 -0.532 -0.879 8.408 420 HG3 GLU 53 HG3 GLU 53 0.401 -0.203 9.742 421 H ALA 54 H ALA 54 2.894 -0.963 7.091 422 HA ALA 54 HA ALA 54 1.898 -2.057 4.671 423 HB1 ALA 54 HB1 ALA 54 3.676 -3.335 6.750 424 HB2 ALA 54 HB2 ALA 54 4.224 -2.361 5.384 425 HB3 ALA 54 HB3 ALA 54 3.429 -3.911 5.102 426 H VAL 55 H VAL 55 0.200 -3.330 4.366 427 HA VAL 55 HA VAL 55 -1.373 -4.199 6.612 428 HB VAL 55 HB VAL 55 -1.902 -5.027 3.777 429 HG11 VAL 55 HG11 VAL 55 -3.350 -5.952 5.480 430 HG12 VAL 55 HG12 VAL 55 -4.246 -4.821 4.465 431 HG13 VAL 55 HG13 VAL 55 -3.717 -4.332 6.075 432 HG21 VAL 55 HG21 VAL 55 -2.500 -2.319 4.959 433 HG22 VAL 55 HG22 VAL 55 -3.146 -2.922 3.433 434 HG23 VAL 55 HG23 VAL 55 -1.411 -2.662 3.614 435 H LYS 56 H LYS 56 -2.276 -6.509 6.471 436 HA LYS 56 HA LYS 56 -0.089 -8.300 6.826 437 HB2 LYS 56 HB2 LYS 56 -1.825 -9.914 7.442 438 HB3 LYS 56 HB3 LYS 56 -2.084 -8.382 8.257 439 HG2 LYS 56 HG2 LYS 56 -3.821 -7.803 6.657 440 HG3 LYS 56 HG3 LYS 56 -3.535 -9.312 5.787 441 HD2 LYS 56 HD2 LYS 56 -4.146 -10.549 7.850 442 HD3 LYS 56 HD3 LYS 56 -4.558 -9.009 8.609 443 HE2 LYS 56 HE2 LYS 56 -6.558 -10.094 7.754 444 HE3 LYS 56 HE3 LYS 56 -6.234 -8.611 6.857 445 HZ1 LYS 56 HZ1 LYS 56 -5.532 -11.357 5.948 446 HZ2 LYS 56 HZ2 LYS 56 -5.275 -9.921 5.077 447 HZ3 LYS 56 HZ3 LYS 56 -6.855 -10.445 5.396 448 HA PRO 57 HA PRO 57 0.005 -10.083 2.742 449 HB2 PRO 57 HB2 PRO 57 0.814 -12.617 3.445 450 HB3 PRO 57 HB3 PRO 57 1.900 -11.241 3.242 451 HG2 PRO 57 HG2 PRO 57 0.781 -12.423 5.744 452 HG3 PRO 57 HG3 PRO 57 2.397 -11.760 5.443 453 HD2 PRO 57 HD2 PRO 57 0.485 -10.393 6.785 454 HD3 PRO 57 HD3 PRO 57 1.701 -9.589 5.772 455 H ILE 58 H ILE 58 -1.585 -10.911 1.567 456 HA ILE 58 HA ILE 58 -3.940 -11.920 2.844 457 HB ILE 58 HB ILE 58 -3.448 -11.986 -0.130 458 HG12 ILE 58 HG12 ILE 58 -4.349 -9.589 1.489 459 HG13 ILE 58 HG13 ILE 58 -2.770 -9.759 0.730 460 HG21 ILE 58 HG21 ILE 58 -5.857 -11.574 -0.244 461 HG22 ILE 58 HG22 ILE 58 -5.934 -11.533 1.518 462 HG23 ILE 58 HG23 ILE 58 -5.495 -13.027 0.686 463 HD11 ILE 58 HD11 ILE 58 -3.815 -9.796 -1.465 464 HD12 ILE 58 HD12 ILE 58 -4.258 -8.340 -0.574 465 HD13 ILE 58 HD13 ILE 58 -5.408 -9.669 -0.720 466 H LEU 59 H LEU 59 -4.989 -13.949 2.140 467 HA LEU 59 HA LEU 59 -5.103 -16.173 1.733 468 HG LEU 59 HG LEU 59 -4.046 -14.624 -0.753 469 HB2 LEU 59 HB2 LEU 59 -2.347 -15.844 0.548 470 HB3 LEU 59 HB3 LEU 59 -3.321 -17.298 0.442 471 HD11 LEU 59 HD11 LEU 59 -3.579 -15.682 -2.896 472 HD12 LEU 59 HD12 LEU 59 -3.076 -17.156 -2.070 473 HD13 LEU 59 HD13 LEU 59 -2.143 -15.671 -1.873 474 HD21 LEU 59 HD21 LEU 59 -6.008 -15.910 -0.120 475 HD22 LEU 59 HD22 LEU 59 -5.375 -17.322 -0.968 476 HD23 LEU 59 HD23 LEU 59 -5.829 -15.878 -1.875 477 H GLU 60 H GLU 60 -4.310 -15.172 4.207 478 HA GLU 60 HA GLU 60 -2.151 -16.610 5.328 479 HB2 GLU 60 HB2 GLU 60 -3.472 -16.273 7.515 480 HB3 GLU 60 HB3 GLU 60 -2.908 -14.843 6.667 481 HG2 GLU 60 HG2 GLU 60 -5.651 -15.832 6.092 482 HG3 GLU 60 HG3 GLU 60 -5.355 -15.012 7.625 483 H HIS 61 H HIS 61 -1.936 -18.700 5.635 484 HA HIS 61 HA HIS 61 -4.068 -20.470 4.939 485 HD1 HIS 61 HD1 HIS 61 -0.173 -19.609 4.095 486 HD2 HIS 61 HD2 HIS 61 -2.875 -22.448 2.707 487 HE1 HIS 61 HE1 HIS 61 0.175 -19.720 1.602 488 HE2 HIS 61 HE2 HIS 61 -1.593 -21.321 0.768 489 HB2 HIS 61 HB2 HIS 61 -1.273 -20.998 5.957 490 HB3 HIS 61 HB3 HIS 61 -2.397 -22.267 5.475 491 H HIS 62 H HIS 62 -5.659 -20.883 6.217 492 HA HIS 62 HA HIS 62 -5.411 -20.737 9.097 493 HD1 HIS 62 HD1 HIS 62 -8.393 -19.313 10.255 494 HD2 HIS 62 HD2 HIS 62 -8.611 -23.341 9.240 495 HE1 HIS 62 HE1 HIS 62 -9.836 -20.379 12.015 496 HE2 HIS 62 HE2 HIS 62 -10.143 -22.757 11.233 497 HB2 HIS 62 HB2 HIS 62 -7.387 -19.798 8.016 498 HB3 HIS 62 HB3 HIS 62 -7.761 -21.355 7.289 499 H HIS 63 H HIS 63 -4.349 -22.429 9.943 500 HA HIS 63 HA HIS 63 -3.870 -24.532 10.631 501 HD1 HIS 63 HD1 HIS 63 -7.761 -26.698 12.001 502 HD2 HIS 63 HD2 HIS 63 -3.693 -26.942 11.158 503 HE1 HIS 63 HE1 HIS 63 -6.985 -28.865 13.015 504 HE2 HIS 63 HE2 HIS 63 -4.564 -29.071 12.353 505 HB2 HIS 63 HB2 HIS 63 -6.252 -24.319 11.400 506 HB3 HIS 63 HB3 HIS 63 -6.750 -25.138 9.927 507 H HIS 64 H HIS 64 -2.505 -24.604 8.710 508 HA HIS 64 HA HIS 64 -3.156 -26.942 7.088 509 HD1 HIS 64 HD1 HIS 64 -4.749 -26.280 4.039 510 HD2 HIS 64 HD2 HIS 64 -0.595 -26.380 4.277 511 HE1 HIS 64 HE1 HIS 64 -3.986 -27.595 2.032 512 HE2 HIS 64 HE2 HIS 64 -1.463 -27.582 2.148 513 HB2 HIS 64 HB2 HIS 64 -3.881 -24.828 5.843 514 HB3 HIS 64 HB3 HIS 64 -2.175 -24.402 5.772 515 H HIS 65 H HIS 65 -1.502 -28.189 7.692 516 HA HIS 65 HA HIS 65 0.897 -27.021 8.735 517 HD1 HIS 65 HD1 HIS 65 2.726 -30.838 8.355 518 HD2 HIS 65 HD2 HIS 65 1.867 -28.103 11.368 519 HE1 HIS 65 HE1 HIS 65 4.691 -30.912 9.921 520 HE2 HIS 65 HE2 HIS 65 4.026 -29.445 11.856 521 HB2 HIS 65 HB2 HIS 65 -0.225 -29.106 9.627 522 HB3 HIS 65 HB3 HIS 65 0.391 -29.952 8.212 523 H HIS 66 H HIS 66 2.013 -26.011 7.152 524 HA HIS 66 HA HIS 66 3.855 -27.616 5.710 525 HD1 HIS 66 HD1 HIS 66 1.654 -27.906 1.745 526 HD2 HIS 66 HD2 HIS 66 4.184 -29.307 4.730 527 HE1 HIS 66 HE1 HIS 66 2.379 -30.194 0.999 528 HE2 HIS 66 HE2 HIS 66 3.703 -31.108 2.939 529 HB2 HIS 66 HB2 HIS 66 1.498 -26.732 4.264 530 HB3 HIS 66 HB3 HIS 66 2.964 -26.058 3.562 Start of MODEL 12 1 HA MET 1 HA MET 1 10.841 -3.498 3.635 2 H1 MET 1 H1 MET 1 9.633 -4.443 5.516 3 H2 MET 1 H2 MET 1 11.296 -4.761 5.576 4 H3 MET 1 H3 MET 1 10.220 -5.983 5.109 5 HB2 MET 1 HB2 MET 1 11.413 -6.414 3.095 6 HB3 MET 1 HB3 MET 1 11.552 -5.168 1.863 7 HG2 MET 1 HG2 MET 1 13.232 -4.026 3.233 8 HG3 MET 1 HG3 MET 1 13.111 -5.312 4.430 9 HE1 MET 1 HE1 MET 1 15.827 -4.341 3.055 10 HE2 MET 1 HE2 MET 1 16.620 -5.885 2.748 11 HE3 MET 1 HE3 MET 1 15.767 -5.621 4.268 12 H ILE 2 H ILE 2 9.398 -2.810 2.225 13 HA ILE 2 HA ILE 2 6.957 -4.359 1.804 14 HB ILE 2 HB ILE 2 7.644 -1.575 0.824 15 HG12 ILE 2 HG12 ILE 2 6.039 -2.414 3.252 16 HG13 ILE 2 HG13 ILE 2 7.647 -1.704 3.288 17 HG21 ILE 2 HG21 ILE 2 5.886 -2.609 -0.481 18 HG22 ILE 2 HG22 ILE 2 5.215 -1.331 0.534 19 HG23 ILE 2 HG23 ILE 2 5.005 -3.021 0.991 20 HD11 ILE 2 HD11 ILE 2 5.161 -0.354 2.264 21 HD12 ILE 2 HD12 ILE 2 6.771 0.357 2.331 22 HD13 ILE 2 HD13 ILE 2 5.931 -0.065 3.823 23 H PHE 3 H PHE 3 6.238 -4.954 -0.290 24 HA PHE 3 HA PHE 3 8.308 -4.886 -2.378 25 HD1 PHE 3 HD1 PHE 3 9.992 -7.146 -2.675 26 HD2 PHE 3 HD2 PHE 3 7.152 -7.764 0.433 27 HE1 PHE 3 HE1 PHE 3 11.756 -8.119 -1.264 28 HE2 PHE 3 HE2 PHE 3 8.908 -8.747 1.849 29 HZ PHE 3 HZ PHE 3 11.214 -8.924 1.002 30 HB2 PHE 3 HB2 PHE 3 6.426 -7.171 -1.733 31 HB3 PHE 3 HB3 PHE 3 7.541 -7.131 -3.095 32 HA PRO 4 HA PRO 4 5.294 -3.092 -5.114 33 HB2 PRO 4 HB2 PRO 4 6.446 -4.941 -7.140 34 HB3 PRO 4 HB3 PRO 4 6.233 -3.188 -7.205 35 HG2 PRO 4 HG2 PRO 4 8.643 -4.245 -6.816 36 HG3 PRO 4 HG3 PRO 4 8.143 -2.777 -5.956 37 HD2 PRO 4 HD2 PRO 4 8.319 -5.593 -4.960 38 HD3 PRO 4 HD3 PRO 4 8.718 -4.076 -4.129 39 H GLY 5 H GLY 5 3.223 -3.588 -5.348 40 HA2 GLY 5 HA2 GLY 5 1.467 -4.998 -6.190 41 HA3 GLY 5 HA3 GLY 5 2.480 -6.393 -5.846 42 H ALA 6 H ALA 6 2.869 -4.412 -3.281 43 HA ALA 6 HA ALA 6 0.902 -5.871 -1.697 44 HB1 ALA 6 HB1 ALA 6 3.228 -5.784 -0.906 45 HB2 ALA 6 HB2 ALA 6 2.111 -5.045 0.241 46 HB3 ALA 6 HB3 ALA 6 3.114 -4.027 -0.794 47 H THR 7 H THR 7 -0.857 -4.964 -0.813 48 HA THR 7 HA THR 7 -1.519 -2.240 -1.489 49 HB THR 7 HB THR 7 -3.123 -4.026 0.324 50 HG1 THR 7 HG1 THR 7 -4.081 -4.281 -2.102 51 HG21 THR 7 HG21 THR 7 -3.854 -1.708 0.091 52 HG22 THR 7 HG22 THR 7 -5.008 -2.807 -0.667 53 HG23 THR 7 HG23 THR 7 -3.881 -1.887 -1.664 54 H VAL 8 H VAL 8 -1.170 -0.545 -0.218 55 HA VAL 8 HA VAL 8 -0.573 -1.026 2.627 56 HB VAL 8 HB VAL 8 0.953 0.952 2.522 57 HG11 VAL 8 HG11 VAL 8 1.692 -1.384 0.758 58 HG12 VAL 8 HG12 VAL 8 1.820 -1.328 2.516 59 HG13 VAL 8 HG13 VAL 8 2.823 -0.270 1.527 60 HG21 VAL 8 HG21 VAL 8 0.654 0.607 -0.466 61 HG22 VAL 8 HG22 VAL 8 1.797 1.680 0.343 62 HG23 VAL 8 HG23 VAL 8 0.064 1.974 0.480 63 H ARG 9 H ARG 9 -1.367 0.408 4.104 64 HA ARG 9 HA ARG 9 -3.464 2.201 3.110 65 HE ARG 9 HE ARG 9 -2.915 2.922 7.355 66 HB2 ARG 9 HB2 ARG 9 -4.064 0.517 4.831 67 HB3 ARG 9 HB3 ARG 9 -2.898 1.251 5.925 68 HG2 ARG 9 HG2 ARG 9 -4.323 3.418 5.399 69 HG3 ARG 9 HG3 ARG 9 -5.570 2.212 5.067 70 HD2 ARG 9 HD2 ARG 9 -5.700 2.905 7.380 71 HD3 ARG 9 HD3 ARG 9 -5.160 1.226 7.292 72 HH11 ARG 9 HH11 ARG 9 -5.478 1.756 9.435 73 HH12 ARG 9 HH12 ARG 9 -4.559 1.987 10.896 74 HH21 ARG 9 HH21 ARG 9 -1.698 3.188 9.258 75 HH22 ARG 9 HH22 ARG 9 -2.401 2.773 10.797 76 H VAL 10 H VAL 10 -3.217 4.366 3.204 77 HA VAL 10 HA VAL 10 -0.766 5.551 3.911 78 HB VAL 10 HB VAL 10 -3.460 6.898 3.674 79 HG11 VAL 10 HG11 VAL 10 -1.770 8.276 4.796 80 HG12 VAL 10 HG12 VAL 10 -2.194 8.921 3.211 81 HG13 VAL 10 HG13 VAL 10 -0.682 8.041 3.427 82 HG21 VAL 10 HG21 VAL 10 -2.915 5.640 1.659 83 HG22 VAL 10 HG22 VAL 10 -1.333 6.420 1.589 84 HG23 VAL 10 HG23 VAL 10 -2.797 7.375 1.361 85 H THR 11 H THR 11 0.047 5.976 5.850 86 HA THR 11 HA THR 11 -1.813 6.186 8.128 87 HB THR 11 HB THR 11 1.049 5.200 8.217 88 HG1 THR 11 HG1 THR 11 -0.523 3.878 6.992 89 HG21 THR 11 HG21 THR 11 0.412 4.317 10.410 90 HG22 THR 11 HG22 THR 11 -1.207 4.991 10.224 91 HG23 THR 11 HG23 THR 11 0.185 6.065 10.352 92 H ASN 12 H ASN 12 -0.143 8.070 6.167 93 HA ASN 12 HA ASN 12 1.250 9.744 8.032 94 HB2 ASN 12 HB2 ASN 12 1.775 9.693 5.579 95 HB3 ASN 12 HB3 ASN 12 0.226 10.470 5.272 96 HD21 ASN 12 HD21 ASN 12 2.977 11.376 4.738 97 HD22 ASN 12 HD22 ASN 12 3.126 12.904 5.528 98 H VAL 13 H VAL 13 0.146 10.703 9.615 99 HA VAL 13 HA VAL 13 -2.611 11.012 9.659 100 HB VAL 13 HB VAL 13 -2.115 12.370 11.702 101 HG11 VAL 13 HG11 VAL 13 -2.471 9.968 11.812 102 HG12 VAL 13 HG12 VAL 13 -1.251 10.472 12.979 103 HG13 VAL 13 HG13 VAL 13 -0.761 9.699 11.473 104 HG21 VAL 13 HG21 VAL 13 -0.002 13.339 11.041 105 HG22 VAL 13 HG22 VAL 13 0.725 11.733 10.965 106 HG23 VAL 13 HG23 VAL 13 0.200 12.394 12.516 107 H ASP 14 H ASP 14 -0.164 13.094 8.380 108 HA ASP 14 HA ASP 14 -1.809 15.481 8.565 109 HB2 ASP 14 HB2 ASP 14 0.616 15.699 8.811 110 HB3 ASP 14 HB3 ASP 14 0.858 15.008 7.209 111 H ASP 15 H ASP 15 -1.008 12.999 6.279 112 HA ASP 15 HA ASP 15 -1.526 14.433 3.905 113 HB2 ASP 15 HB2 ASP 15 -0.167 12.403 3.912 114 HB3 ASP 15 HB3 ASP 15 -1.567 11.448 4.392 115 H THR 16 H THR 16 -3.223 13.988 2.355 116 HA THR 16 HA THR 16 -5.796 14.320 3.616 117 HB THR 16 HB THR 16 -5.217 14.243 0.652 118 HG1 THR 16 HG1 THR 16 -5.225 16.715 1.250 119 HG21 THR 16 HG21 THR 16 -7.306 15.724 2.259 120 HG22 THR 16 HG22 THR 16 -7.587 14.241 1.347 121 HG23 THR 16 HG23 THR 16 -7.142 15.724 0.504 122 H TYR 17 H TYR 17 -4.048 11.775 2.051 123 HA TYR 17 HA TYR 17 -6.473 10.278 1.414 124 HD1 TYR 17 HD2 TYR 17 -2.824 11.647 0.039 125 HD2 TYR 17 HD1 TYR 17 -6.212 9.652 -1.603 126 HE1 TYR 17 HE2 TYR 17 -2.700 13.084 -1.948 127 HE2 TYR 17 HE1 TYR 17 -6.090 11.088 -3.600 128 HH TYR 17 HH TYR 17 -3.380 13.186 -4.196 129 HB2 TYR 17 HB2 TYR 17 -3.581 9.517 0.944 130 HB3 TYR 17 HB3 TYR 17 -4.995 8.702 0.287 131 H TYR 18 H TYR 18 -5.453 10.842 4.172 132 HA TYR 18 HA TYR 18 -4.367 8.446 5.248 133 HD1 TYR 18 HD2 TYR 18 -3.107 8.149 7.232 134 HD2 TYR 18 HD1 TYR 18 -6.267 10.503 8.830 135 HE1 TYR 18 HE2 TYR 18 -2.818 7.047 9.411 136 HE2 TYR 18 HE1 TYR 18 -5.993 9.406 11.012 137 HH TYR 18 HH TYR 18 -5.100 7.375 11.950 138 HB2 TYR 18 HB2 TYR 18 -3.982 10.616 6.308 139 HB3 TYR 18 HB3 TYR 18 -5.702 10.788 6.628 140 H ARG 19 H ARG 19 -5.879 6.977 4.297 141 HA ARG 19 HA ARG 19 -7.433 5.589 6.005 142 HE ARG 19 HE ARG 19 -10.338 9.305 6.018 143 HB2 ARG 19 HB2 ARG 19 -9.737 6.097 5.626 144 HB3 ARG 19 HB3 ARG 19 -8.958 7.613 6.051 145 HG2 ARG 19 HG2 ARG 19 -8.845 8.172 3.642 146 HG3 ARG 19 HG3 ARG 19 -9.759 6.703 3.299 147 HD2 ARG 19 HD2 ARG 19 -11.310 8.511 3.344 148 HD3 ARG 19 HD3 ARG 19 -11.553 7.573 4.818 149 HH11 ARG 19 HH11 ARG 19 -11.551 10.070 2.821 150 HH12 ARG 19 HH12 ARG 19 -11.444 11.791 3.049 151 HH21 ARG 19 HH21 ARG 19 -10.239 11.558 6.347 152 HH22 ARG 19 HH22 ARG 19 -10.690 12.639 5.065 153 H PHE 20 H PHE 20 -6.699 6.671 2.853 154 HA PHE 20 HA PHE 20 -8.036 4.581 1.419 155 HD1 PHE 20 HD1 PHE 20 -7.276 8.478 1.412 156 HD2 PHE 20 HD2 PHE 20 -8.925 5.628 -1.282 157 HE1 PHE 20 HE1 PHE 20 -9.136 10.017 0.927 158 HE2 PHE 20 HE2 PHE 20 -10.784 7.161 -1.776 159 HZ PHE 20 HZ PHE 20 -10.890 9.361 -0.669 160 HB2 PHE 20 HB2 PHE 20 -5.963 6.617 0.602 161 HB3 PHE 20 HB3 PHE 20 -6.646 5.438 -0.505 162 H GLU 21 H GLU 21 -7.032 2.944 0.222 163 HA GLU 21 HA GLU 21 -4.360 2.144 1.150 164 HB2 GLU 21 HB2 GLU 21 -6.717 0.333 0.553 165 HB3 GLU 21 HB3 GLU 21 -5.108 -0.200 1.028 166 HG2 GLU 21 HG2 GLU 21 -5.353 0.693 3.201 167 HG3 GLU 21 HG3 GLU 21 -6.802 1.589 2.744 168 H GLY 22 H GLY 22 -2.936 1.776 -0.442 169 HA2 GLY 22 HA2 GLY 22 -4.007 1.469 -3.175 170 HA3 GLY 22 HA3 GLY 22 -2.738 2.636 -2.826 171 H LEU 23 H LEU 23 -2.253 0.797 -4.745 172 HA LEU 23 HA LEU 23 -0.799 -1.407 -3.502 173 HG LEU 23 HG LEU 23 -2.215 -3.131 -4.463 174 HB2 LEU 23 HB2 LEU 23 -1.681 -0.811 -6.312 175 HB3 LEU 23 HB3 LEU 23 -0.489 -2.041 -5.977 176 HD11 LEU 23 HD11 LEU 23 -3.676 -1.180 -4.214 177 HD12 LEU 23 HD12 LEU 23 -4.543 -2.578 -4.848 178 HD13 LEU 23 HD13 LEU 23 -4.072 -1.266 -5.931 179 HD21 LEU 23 HD21 LEU 23 -2.794 -2.898 -7.411 180 HD22 LEU 23 HD22 LEU 23 -3.388 -4.172 -6.345 181 HD23 LEU 23 HD23 LEU 23 -1.659 -4.011 -6.651 182 H VAL 24 H VAL 24 1.335 -1.331 -3.241 183 HA VAL 24 HA VAL 24 2.888 0.904 -4.077 184 HB VAL 24 HB VAL 24 3.854 -1.801 -3.116 185 HG11 VAL 24 HG11 VAL 24 5.911 -0.604 -2.524 186 HG12 VAL 24 HG12 VAL 24 5.257 0.871 -3.235 187 HG13 VAL 24 HG13 VAL 24 5.592 -0.527 -4.257 188 HG21 VAL 24 HG21 VAL 24 2.361 -0.720 -1.505 189 HG22 VAL 24 HG22 VAL 24 3.346 0.742 -1.567 190 HG23 VAL 24 HG23 VAL 24 4.023 -0.752 -0.917 191 H GLN 25 H GLN 25 3.676 1.303 -5.998 192 HA GLN 25 HA GLN 25 3.656 -0.763 -8.039 193 HB2 GLN 25 HB2 GLN 25 4.190 2.201 -8.091 194 HB3 GLN 25 HB3 GLN 25 4.395 1.178 -9.503 195 HG2 GLN 25 HG2 GLN 25 1.832 1.519 -7.962 196 HG3 GLN 25 HG3 GLN 25 2.230 2.336 -9.472 197 HE21 GLN 25 HE21 GLN 25 1.376 -0.674 -7.975 198 HE22 GLN 25 HE22 GLN 25 0.976 -1.529 -9.426 199 H ARG 26 H ARG 26 5.913 0.989 -6.087 200 HA ARG 26 HA ARG 26 8.044 -0.749 -6.755 201 HE ARG 26 HE ARG 26 7.398 3.100 -10.300 202 HB2 ARG 26 HB2 ARG 26 9.579 0.895 -7.702 203 HB3 ARG 26 HB3 ARG 26 8.162 0.717 -8.724 204 HG2 ARG 26 HG2 ARG 26 7.230 2.778 -7.749 205 HG3 ARG 26 HG3 ARG 26 8.705 2.966 -6.799 206 HD2 ARG 26 HD2 ARG 26 8.852 4.345 -8.764 207 HD3 ARG 26 HD3 ARG 26 10.005 3.019 -8.903 208 HH11 ARG 26 HH11 ARG 26 10.759 2.112 -10.120 209 HH12 ARG 26 HH12 ARG 26 10.799 1.518 -11.750 210 HH21 ARG 26 HH21 ARG 26 7.444 2.303 -12.427 211 HH22 ARG 26 HH22 ARG 26 8.912 1.610 -13.061 212 H VAL 27 H VAL 27 9.640 -0.655 -5.283 213 HA VAL 27 HA VAL 27 9.251 1.193 -3.023 214 HB VAL 27 HB VAL 27 10.459 -1.580 -2.923 215 HG11 VAL 27 HG11 VAL 27 9.617 0.278 -0.703 216 HG12 VAL 27 HG12 VAL 27 11.277 -0.084 -1.176 217 HG13 VAL 27 HG13 VAL 27 10.255 -1.355 -0.503 218 HG21 VAL 27 HG21 VAL 27 8.388 -2.282 -1.825 219 HG22 VAL 27 HG22 VAL 27 8.093 -1.717 -3.471 220 HG23 VAL 27 HG23 VAL 27 7.703 -0.679 -2.099 221 H SER 28 H SER 28 11.021 2.227 -2.177 222 HA SER 28 HA SER 28 13.653 1.614 -3.323 223 HG SER 28 HG SER 28 11.450 4.108 -2.548 224 HB2 SER 28 HB2 SER 28 14.117 4.093 -3.349 225 HB3 SER 28 HB3 SER 28 12.921 3.565 -4.534 226 H ASP 29 H ASP 29 15.251 3.263 -1.921 227 HA ASP 29 HA ASP 29 15.078 2.123 0.700 228 HB2 ASP 29 HB2 ASP 29 17.102 3.980 -0.557 229 HB3 ASP 29 HB3 ASP 29 17.215 3.416 1.106 230 H GLY 30 H GLY 30 13.013 3.196 1.143 231 HA2 GLY 30 HA2 GLY 30 12.670 4.609 3.188 232 HA3 GLY 30 HA3 GLY 30 13.504 5.873 2.299 233 H LYS 31 H LYS 31 12.124 5.021 -0.217 234 HA LYS 31 HA LYS 31 9.540 6.268 0.369 235 HB2 LYS 31 HB2 LYS 31 11.377 6.595 -2.008 236 HB3 LYS 31 HB3 LYS 31 9.760 7.244 -1.913 237 HG2 LYS 31 HG2 LYS 31 10.363 8.722 -0.138 238 HG3 LYS 31 HG3 LYS 31 11.940 7.944 0.026 239 HD2 LYS 31 HD2 LYS 31 10.972 9.465 -2.398 240 HD3 LYS 31 HD3 LYS 31 12.090 10.085 -1.181 241 HE2 LYS 31 HE2 LYS 31 13.681 8.295 -1.745 242 HE3 LYS 31 HE3 LYS 31 12.557 7.696 -2.967 243 HZ1 LYS 31 HZ1 LYS 31 14.216 9.027 -4.022 244 HZ2 LYS 31 HZ2 LYS 31 13.955 10.317 -2.963 245 HZ3 LYS 31 HZ3 LYS 31 12.749 9.876 -4.083 246 H ALA 32 H ALA 32 7.835 5.795 -1.210 247 HA ALA 32 HA ALA 32 8.176 3.515 -2.969 248 HB1 ALA 32 HB1 ALA 32 6.399 2.187 -1.976 249 HB2 ALA 32 HB2 ALA 32 6.208 3.373 -0.685 250 HB3 ALA 32 HB3 ALA 32 7.700 2.442 -0.815 251 H ALA 33 H ALA 33 6.622 3.442 -4.593 252 HA ALA 33 HA ALA 33 4.970 5.858 -4.792 253 HB1 ALA 33 HB1 ALA 33 5.700 3.799 -6.879 254 HB2 ALA 33 HB2 ALA 33 6.451 5.379 -6.667 255 HB3 ALA 33 HB3 ALA 33 4.764 5.267 -7.168 256 H VAL 34 H VAL 34 2.916 5.717 -4.184 257 HA VAL 34 HA VAL 34 1.656 3.068 -4.063 258 HB VAL 34 HB VAL 34 0.676 5.636 -2.817 259 HG11 VAL 34 HG11 VAL 34 -0.025 2.749 -2.324 260 HG12 VAL 34 HG12 VAL 34 -1.054 3.968 -3.078 261 HG13 VAL 34 HG13 VAL 34 -0.616 4.112 -1.374 262 HG21 VAL 34 HG21 VAL 34 2.873 5.097 -1.927 263 HG22 VAL 34 HG22 VAL 34 2.340 3.453 -1.576 264 HG23 VAL 34 HG23 VAL 34 1.622 4.814 -0.716 265 H LEU 35 H LEU 35 0.065 2.526 -5.390 266 HA LEU 35 HA LEU 35 -1.040 4.577 -7.173 267 HG LEU 35 HG LEU 35 -2.892 2.772 -8.728 268 HB2 LEU 35 HB2 LEU 35 0.047 2.560 -8.156 269 HB3 LEU 35 HB3 LEU 35 -1.184 1.578 -7.399 270 HD11 LEU 35 HD11 LEU 35 -2.175 4.082 -10.668 271 HD12 LEU 35 HD12 LEU 35 -0.505 3.980 -10.108 272 HD13 LEU 35 HD13 LEU 35 -1.707 4.841 -9.147 273 HD21 LEU 35 HD21 LEU 35 -2.371 1.653 -10.841 274 HD22 LEU 35 HD22 LEU 35 -2.056 0.620 -9.448 275 HD23 LEU 35 HD23 LEU 35 -0.715 1.399 -10.288 276 H PHE 36 H PHE 36 -2.958 5.337 -6.718 277 HA PHE 36 HA PHE 36 -4.880 3.674 -5.237 278 HD1 PHE 36 HD2 PHE 36 -5.255 4.728 -2.628 279 HD2 PHE 36 HD1 PHE 36 -2.890 7.427 -4.916 280 HE1 PHE 36 HE2 PHE 36 -3.819 5.127 -0.671 281 HE2 PHE 36 HE1 PHE 36 -1.447 7.824 -2.963 282 HZ PHE 36 HZ PHE 36 -1.912 6.677 -0.838 283 HB2 PHE 36 HB2 PHE 36 -4.943 6.656 -5.767 284 HB3 PHE 36 HB3 PHE 36 -6.074 5.761 -4.761 285 H GLU 37 H GLU 37 -6.970 3.367 -6.059 286 HA GLU 37 HA GLU 37 -7.637 4.451 -8.669 287 HB2 GLU 37 HB2 GLU 37 -6.397 2.381 -9.203 288 HB3 GLU 37 HB3 GLU 37 -7.502 1.465 -8.186 289 HG2 GLU 37 HG2 GLU 37 -9.341 2.430 -9.723 290 HG3 GLU 37 HG3 GLU 37 -8.008 2.762 -10.828 291 H ASN 38 H ASN 38 -9.722 5.002 -8.657 292 HA ASN 38 HA ASN 38 -11.648 3.281 -7.290 293 HB2 ASN 38 HB2 ASN 38 -11.113 5.086 -5.674 294 HB3 ASN 38 HB3 ASN 38 -11.579 6.282 -6.879 295 HD21 ASN 38 HD21 ASN 38 -13.208 7.133 -5.631 296 HD22 ASN 38 HD22 ASN 38 -14.681 6.277 -5.301 297 H GLY 39 H GLY 39 -12.203 2.632 -9.377 298 HA2 GLY 39 HA2 GLY 39 -13.613 2.674 -11.194 299 HA3 GLY 39 HA3 GLY 39 -14.247 4.206 -10.609 300 H ASN 40 H ASN 40 -13.677 6.034 -11.621 301 HA ASN 40 HA ASN 40 -11.994 5.801 -13.979 302 HB2 ASN 40 HB2 ASN 40 -14.110 6.973 -14.221 303 HB3 ASN 40 HB3 ASN 40 -13.685 8.075 -12.914 304 HD21 ASN 40 HD21 ASN 40 -13.096 7.202 -16.228 305 HD22 ASN 40 HD22 ASN 40 -12.252 8.651 -16.664 306 H TRP 41 H TRP 41 -11.984 7.235 -10.818 307 HA TRP 41 HA TRP 41 -9.755 8.957 -11.301 308 HD1 TRP 41 HD1 TRP 41 -9.224 11.358 -9.434 309 HE1 TRP 41 HE1 TRP 41 -7.531 11.704 -7.521 310 HE3 TRP 41 HE3 TRP 41 -9.859 6.914 -6.983 311 HZ2 TRP 41 HZ2 TRP 41 -6.600 10.278 -5.273 312 HZ3 TRP 41 HZ3 TRP 41 -8.529 6.487 -4.956 313 HH2 TRP 41 HH2 TRP 41 -6.934 8.132 -4.120 314 HB2 TRP 41 HB2 TRP 41 -11.310 9.620 -9.637 315 HB3 TRP 41 HB3 TRP 41 -11.164 8.094 -8.777 316 H ASP 42 H ASP 42 -7.694 8.674 -10.902 317 HA ASP 42 HA ASP 42 -6.754 6.353 -9.413 318 HB2 ASP 42 HB2 ASP 42 -5.207 5.607 -11.051 319 HB3 ASP 42 HB3 ASP 42 -6.738 5.775 -11.892 320 H LYS 43 H LYS 43 -4.529 6.615 -8.716 321 HA LYS 43 HA LYS 43 -3.361 9.244 -9.005 322 HB2 LYS 43 HB2 LYS 43 -5.207 9.360 -7.213 323 HB3 LYS 43 HB3 LYS 43 -4.124 8.390 -6.224 324 HG2 LYS 43 HG2 LYS 43 -3.897 10.740 -5.690 325 HG3 LYS 43 HG3 LYS 43 -2.406 10.125 -6.412 326 HD2 LYS 43 HD2 LYS 43 -3.152 11.022 -8.597 327 HD3 LYS 43 HD3 LYS 43 -4.556 11.726 -7.795 328 HE2 LYS 43 HE2 LYS 43 -3.111 13.095 -6.414 329 HE3 LYS 43 HE3 LYS 43 -1.682 12.348 -7.129 330 HZ1 LYS 43 HZ1 LYS 43 -2.063 14.452 -8.162 331 HZ2 LYS 43 HZ2 LYS 43 -3.674 14.064 -8.509 332 HZ3 LYS 43 HZ3 LYS 43 -2.420 13.243 -9.295 333 H LEU 44 H LEU 44 -1.362 8.565 -9.486 334 HA LEU 44 HA LEU 44 -0.063 6.610 -7.724 335 HG LEU 44 HG LEU 44 2.785 7.161 -8.882 336 HB2 LEU 44 HB2 LEU 44 0.186 6.276 -10.144 337 HB3 LEU 44 HB3 LEU 44 0.878 7.881 -10.301 338 HD11 LEU 44 HD11 LEU 44 3.111 4.765 -8.474 339 HD12 LEU 44 HD12 LEU 44 1.501 4.441 -9.119 340 HD13 LEU 44 HD13 LEU 44 1.685 5.385 -7.639 341 HD21 LEU 44 HD21 LEU 44 3.842 5.741 -10.594 342 HD22 LEU 44 HD22 LEU 44 2.990 7.115 -11.299 343 HD23 LEU 44 HD23 LEU 44 2.267 5.507 -11.351 344 H VAL 45 H VAL 45 0.790 7.493 -5.944 345 HA VAL 45 HA VAL 45 2.305 10.006 -6.235 346 HB VAL 45 HB VAL 45 0.565 9.327 -3.852 347 HG11 VAL 45 HG11 VAL 45 2.214 11.763 -4.511 348 HG12 VAL 45 HG12 VAL 45 2.492 10.611 -3.204 349 HG13 VAL 45 HG13 VAL 45 1.071 11.655 -3.172 350 HG21 VAL 45 HG21 VAL 45 0.128 11.390 -6.009 351 HG22 VAL 45 HG22 VAL 45 -0.860 11.180 -4.563 352 HG23 VAL 45 HG23 VAL 45 -0.804 9.910 -5.785 353 H THR 46 H THR 46 4.299 9.910 -5.415 354 HA THR 46 HA THR 46 5.204 7.515 -4.102 355 HB THR 46 HB THR 46 6.911 9.940 -4.352 356 HG1 THR 46 HG1 THR 46 6.184 10.015 -6.395 357 HG21 THR 46 HG21 THR 46 8.610 8.255 -4.937 358 HG22 THR 46 HG22 THR 46 7.381 6.996 -4.818 359 HG23 THR 46 HG23 THR 46 7.847 7.913 -3.386 360 H PHE 47 H PHE 47 5.352 7.235 -2.014 361 HA PHE 47 HA PHE 47 5.454 9.563 -0.208 362 HD1 PHE 47 HD1 PHE 47 3.322 10.451 1.147 363 HD2 PHE 47 HD2 PHE 47 2.113 7.074 -1.142 364 HE1 PHE 47 HE1 PHE 47 1.227 11.601 0.561 365 HE2 PHE 47 HE2 PHE 47 0.018 8.217 -1.732 366 HZ PHE 47 HZ PHE 47 -0.427 10.486 -0.880 367 HB2 PHE 47 HB2 PHE 47 4.002 6.930 0.194 368 HB3 PHE 47 HB3 PHE 47 4.280 8.096 1.478 369 H ARG 48 H ARG 48 6.069 8.337 2.123 370 HA ARG 48 HA ARG 48 8.620 7.033 1.565 371 HE ARG 48 HE ARG 48 10.305 11.500 3.532 372 HB2 ARG 48 HB2 ARG 48 7.465 8.009 4.183 373 HB3 ARG 48 HB3 ARG 48 9.077 7.357 3.957 374 HG2 ARG 48 HG2 ARG 48 9.722 9.235 2.625 375 HG3 ARG 48 HG3 ARG 48 8.067 9.853 2.621 376 HD2 ARG 48 HD2 ARG 48 8.171 10.149 5.044 377 HD3 ARG 48 HD3 ARG 48 9.816 9.518 5.055 378 HH11 ARG 48 HH11 ARG 48 7.813 11.533 6.000 379 HH12 ARG 48 HH12 ARG 48 7.950 13.239 6.303 380 HH21 ARG 48 HH21 ARG 48 10.484 13.738 3.927 381 HH22 ARG 48 HH22 ARG 48 9.450 14.495 5.100 382 H LEU 49 H LEU 49 9.109 5.325 3.396 383 HA LEU 49 HA LEU 49 7.133 3.227 3.045 384 HG LEU 49 HG LEU 49 10.084 3.465 1.985 385 HB2 LEU 49 HB2 LEU 49 9.825 3.198 4.428 386 HB3 LEU 49 HB3 LEU 49 8.813 1.792 4.160 387 HD11 LEU 49 HD11 LEU 49 11.528 1.531 1.628 388 HD12 LEU 49 HD12 LEU 49 10.782 0.709 3.000 389 HD13 LEU 49 HD13 LEU 49 11.729 2.175 3.259 390 HD21 LEU 49 HD21 LEU 49 9.332 1.680 0.491 391 HD22 LEU 49 HD22 LEU 49 7.970 2.467 1.288 392 HD23 LEU 49 HD23 LEU 49 8.523 0.887 1.844 393 H SER 50 H SER 50 8.425 5.313 5.494 394 HA SER 50 HA SER 50 7.240 4.045 7.739 395 HG SER 50 HG SER 50 7.657 7.699 7.116 396 HB2 SER 50 HB2 SER 50 7.728 6.297 8.824 397 HB3 SER 50 HB3 SER 50 9.118 5.475 8.112 398 H GLU 51 H GLU 51 6.027 6.038 5.243 399 HA GLU 51 HA GLU 51 3.901 7.192 6.862 400 HB2 GLU 51 HB2 GLU 51 3.967 7.301 3.864 401 HB3 GLU 51 HB3 GLU 51 3.307 8.470 4.995 402 HG2 GLU 51 HG2 GLU 51 6.223 7.926 4.526 403 HG3 GLU 51 HG3 GLU 51 5.311 9.295 3.901 404 H LEU 52 H LEU 52 4.395 4.247 5.450 405 HA LEU 52 HA LEU 52 1.567 3.904 4.726 406 HG LEU 52 HG LEU 52 3.805 4.799 2.773 407 HB2 LEU 52 HB2 LEU 52 3.993 2.474 3.647 408 HB3 LEU 52 HB3 LEU 52 2.339 2.192 3.154 409 HD11 LEU 52 HD11 LEU 52 4.797 3.020 1.433 410 HD12 LEU 52 HD12 LEU 52 3.933 4.181 0.425 411 HD13 LEU 52 HD13 LEU 52 3.206 2.615 0.786 412 HD21 LEU 52 HD21 LEU 52 1.161 3.811 1.713 413 HD22 LEU 52 HD22 LEU 52 1.936 5.338 1.292 414 HD23 LEU 52 HD23 LEU 52 1.392 5.055 2.945 415 H GLU 53 H GLU 53 0.448 2.280 5.611 416 HA GLU 53 HA GLU 53 1.827 0.440 7.428 417 HB2 GLU 53 HB2 GLU 53 -0.166 1.605 8.301 418 HB3 GLU 53 HB3 GLU 53 -1.131 0.943 6.991 419 HG2 GLU 53 HG2 GLU 53 -1.546 -0.285 9.012 420 HG3 GLU 53 HG3 GLU 53 -0.715 -1.320 7.855 421 H ALA 54 H ALA 54 2.634 -1.235 6.332 422 HA ALA 54 HA ALA 54 1.600 -2.084 3.821 423 HB1 ALA 54 HB1 ALA 54 3.974 -2.264 4.392 424 HB2 ALA 54 HB2 ALA 54 3.295 -3.822 3.925 425 HB3 ALA 54 HB3 ALA 54 3.583 -3.461 5.627 426 H VAL 55 H VAL 55 -0.322 -3.036 3.701 427 HA VAL 55 HA VAL 55 -1.178 -4.894 5.770 428 HB VAL 55 HB VAL 55 -2.722 -4.414 3.247 429 HG11 VAL 55 HG11 VAL 55 -3.559 -6.075 4.797 430 HG12 VAL 55 HG12 VAL 55 -4.651 -4.692 4.734 431 HG13 VAL 55 HG13 VAL 55 -3.556 -4.891 6.103 432 HG21 VAL 55 HG21 VAL 55 -2.060 -2.180 3.982 433 HG22 VAL 55 HG22 VAL 55 -2.673 -2.522 5.599 434 HG23 VAL 55 HG23 VAL 55 -3.785 -2.438 4.232 435 H LYS 56 H LYS 56 -2.195 -6.984 4.888 436 HA LYS 56 HA LYS 56 -0.284 -8.164 3.018 437 HB2 LYS 56 HB2 LYS 56 -1.853 -9.406 5.279 438 HB3 LYS 56 HB3 LYS 56 -0.824 -10.293 4.172 439 HG2 LYS 56 HG2 LYS 56 1.113 -9.020 4.933 440 HG3 LYS 56 HG3 LYS 56 0.078 -8.116 6.040 441 HD2 LYS 56 HD2 LYS 56 -0.493 -10.218 7.189 442 HD3 LYS 56 HD3 LYS 56 0.597 -11.088 6.107 443 HE2 LYS 56 HE2 LYS 56 2.484 -9.810 6.942 444 HE3 LYS 56 HE3 LYS 56 1.410 -8.860 7.968 445 HZ1 LYS 56 HZ1 LYS 56 2.488 -10.574 9.248 446 HZ2 LYS 56 HZ2 LYS 56 1.922 -11.777 8.194 447 HZ3 LYS 56 HZ3 LYS 56 0.825 -10.902 9.149 448 HA PRO 57 HA PRO 57 -3.668 -8.756 0.181 449 HB2 PRO 57 HB2 PRO 57 -1.986 -11.009 -0.769 450 HB3 PRO 57 HB3 PRO 57 -2.644 -9.641 -1.674 451 HG2 PRO 57 HG2 PRO 57 -0.048 -9.767 -1.069 452 HG3 PRO 57 HG3 PRO 57 -0.921 -8.224 -1.036 453 HD2 PRO 57 HD2 PRO 57 -0.084 -9.979 1.237 454 HD3 PRO 57 HD3 PRO 57 -0.085 -8.208 1.122 455 H ILE 58 H ILE 58 -5.422 -10.118 0.087 456 HA ILE 58 HA ILE 58 -5.806 -11.916 2.227 457 HB ILE 58 HB ILE 58 -7.505 -12.073 -0.224 458 HG12 ILE 58 HG12 ILE 58 -8.866 -10.174 1.019 459 HG13 ILE 58 HG13 ILE 58 -7.280 -9.742 1.648 460 HG21 ILE 58 HG21 ILE 58 -9.292 -12.378 1.437 461 HG22 ILE 58 HG22 ILE 58 -8.088 -12.241 2.719 462 HG23 ILE 58 HG23 ILE 58 -8.008 -13.581 1.575 463 HD11 ILE 58 HD11 ILE 58 -8.026 -9.907 -1.262 464 HD12 ILE 58 HD12 ILE 58 -6.450 -9.447 -0.618 465 HD13 ILE 58 HD13 ILE 58 -7.858 -8.430 -0.313 466 H LEU 59 H LEU 59 -5.975 -14.124 2.238 467 HA LEU 59 HA LEU 59 -4.774 -15.500 -0.056 468 HG LEU 59 HG LEU 59 -4.373 -14.762 3.497 469 HB2 LEU 59 HB2 LEU 59 -3.637 -17.007 1.642 470 HB3 LEU 59 HB3 LEU 59 -2.975 -15.402 1.419 471 HD11 LEU 59 HD11 LEU 59 -5.723 -16.786 3.622 472 HD12 LEU 59 HD12 LEU 59 -4.745 -16.591 5.075 473 HD13 LEU 59 HD13 LEU 59 -4.268 -17.756 3.841 474 HD21 LEU 59 HD21 LEU 59 -1.947 -14.838 3.447 475 HD22 LEU 59 HD22 LEU 59 -1.982 -16.581 3.722 476 HD23 LEU 59 HD23 LEU 59 -2.560 -15.479 4.972 477 H GLU 60 H GLU 60 -5.354 -17.668 -0.336 478 HA GLU 60 HA GLU 60 -8.086 -18.130 0.566 479 HB2 GLU 60 HB2 GLU 60 -8.112 -19.785 -1.312 480 HB3 GLU 60 HB3 GLU 60 -7.796 -18.127 -1.808 481 HG2 GLU 60 HG2 GLU 60 -5.358 -18.684 -1.814 482 HG3 GLU 60 HG3 GLU 60 -5.807 -20.368 -1.544 483 H HIS 61 H HIS 61 -8.757 -20.396 0.924 484 HA HIS 61 HA HIS 61 -6.654 -22.049 2.144 485 HD1 HIS 61 HD1 HIS 61 -6.337 -23.109 4.834 486 HD2 HIS 61 HD2 HIS 61 -10.430 -23.604 4.287 487 HE1 HIS 61 HE1 HIS 61 -6.956 -25.174 6.133 488 HE2 HIS 61 HE2 HIS 61 -9.406 -25.540 5.657 489 HB2 HIS 61 HB2 HIS 61 -7.753 -20.936 3.978 490 HB3 HIS 61 HB3 HIS 61 -9.341 -21.317 3.326 491 H HIS 62 H HIS 62 -6.741 -24.152 1.637 492 HA HIS 62 HA HIS 62 -9.176 -25.161 0.295 493 HD1 HIS 62 HD1 HIS 62 -8.705 -25.571 -3.022 494 HD2 HIS 62 HD2 HIS 62 -5.836 -23.227 -1.133 495 HE1 HIS 62 HE1 HIS 62 -8.270 -23.649 -4.574 496 HE2 HIS 62 HE2 HIS 62 -6.686 -22.148 -3.330 497 HB2 HIS 62 HB2 HIS 62 -6.294 -25.914 -0.254 498 HB3 HIS 62 HB3 HIS 62 -7.694 -26.690 -0.984 499 H HIS 63 H HIS 63 -9.346 -27.595 0.451 500 HA HIS 63 HA HIS 63 -8.081 -28.657 2.868 501 HD1 HIS 63 HD1 HIS 63 -12.014 -27.147 1.544 502 HD2 HIS 63 HD2 HIS 63 -11.707 -31.253 2.126 503 HE1 HIS 63 HE1 HIS 63 -13.957 -28.157 0.300 504 HE2 HIS 63 HE2 HIS 63 -13.862 -30.624 0.848 505 HB2 HIS 63 HB2 HIS 63 -10.143 -29.577 3.706 506 HB3 HIS 63 HB3 HIS 63 -10.375 -27.855 3.447 507 H HIS 64 H HIS 64 -7.700 -30.867 2.848 508 HA HIS 64 HA HIS 64 -7.790 -32.079 0.196 509 HD1 HIS 64 HD1 HIS 64 -5.945 -35.581 1.666 510 HD2 HIS 64 HD2 HIS 64 -5.190 -32.472 -0.991 511 HE1 HIS 64 HE1 HIS 64 -4.743 -36.626 -0.286 512 HE2 HIS 64 HE2 HIS 64 -4.125 -34.688 -1.781 513 HB2 HIS 64 HB2 HIS 64 -5.769 -31.996 1.876 514 HB3 HIS 64 HB3 HIS 64 -6.572 -33.380 2.607 515 H HIS 65 H HIS 65 -9.073 -33.798 -0.320 516 HA HIS 65 HA HIS 65 -11.413 -34.181 1.177 517 HD1 HIS 65 HD1 HIS 65 -10.644 -34.450 -3.196 518 HD2 HIS 65 HD2 HIS 65 -13.490 -33.647 -0.272 519 HE1 HIS 65 HE1 HIS 65 -12.210 -32.762 -4.213 520 HE2 HIS 65 HE2 HIS 65 -13.812 -32.159 -2.357 521 HB2 HIS 65 HB2 HIS 65 -10.229 -35.722 -1.121 522 HB3 HIS 65 HB3 HIS 65 -11.753 -36.194 -0.378 523 H HIS 66 H HIS 66 -9.435 -36.992 0.316 524 HA HIS 66 HA HIS 66 -8.886 -37.792 2.973 525 HD1 HIS 66 HD1 HIS 66 -10.931 -41.647 2.626 526 HD2 HIS 66 HD2 HIS 66 -10.055 -38.691 5.420 527 HE1 HIS 66 HE1 HIS 66 -10.590 -42.849 4.810 528 HE2 HIS 66 HE2 HIS 66 -10.301 -41.020 6.518 529 HB2 HIS 66 HB2 HIS 66 -11.418 -38.102 2.837 530 HB3 HIS 66 HB3 HIS 66 -11.107 -39.373 1.663 Start of MODEL 13 1 HA MET 1 HA MET 1 9.517 -3.770 5.319 2 H1 MET 1 H1 MET 1 8.189 -5.986 6.748 3 H2 MET 1 H2 MET 1 7.903 -4.337 7.006 4 H3 MET 1 H3 MET 1 9.423 -5.001 7.353 5 HB2 MET 1 HB2 MET 1 10.464 -5.484 3.886 6 HB3 MET 1 HB3 MET 1 10.910 -5.797 5.556 7 HG2 MET 1 HG2 MET 1 8.676 -7.187 4.097 8 HG3 MET 1 HG3 MET 1 10.308 -7.822 4.279 9 HE1 MET 1 HE1 MET 1 7.632 -9.401 5.144 10 HE2 MET 1 HE2 MET 1 8.193 -10.110 6.659 11 HE3 MET 1 HE3 MET 1 9.267 -10.053 5.262 12 H ILE 2 H ILE 2 8.808 -3.388 3.231 13 HA ILE 2 HA ILE 2 6.073 -4.350 2.671 14 HB ILE 2 HB ILE 2 7.291 -1.687 1.897 15 HG12 ILE 2 HG12 ILE 2 5.174 -2.314 3.970 16 HG13 ILE 2 HG13 ILE 2 6.847 -1.911 4.334 17 HG21 ILE 2 HG21 ILE 2 4.483 -2.743 1.585 18 HG22 ILE 2 HG22 ILE 2 5.645 -2.457 0.288 19 HG23 ILE 2 HG23 ILE 2 5.006 -1.101 1.216 20 HD11 ILE 2 HD11 ILE 2 4.849 -0.108 2.986 21 HD12 ILE 2 HD12 ILE 2 6.528 0.297 3.342 22 HD13 ILE 2 HD13 ILE 2 5.394 0.001 4.659 23 H PHE 3 H PHE 3 5.578 -4.911 0.545 24 HA PHE 3 HA PHE 3 7.916 -5.238 -1.216 25 HD1 PHE 3 HD1 PHE 3 9.154 -7.713 -1.227 26 HD2 PHE 3 HD2 PHE 3 5.724 -7.859 1.286 27 HE1 PHE 3 HE1 PHE 3 10.427 -9.011 0.428 28 HE2 PHE 3 HE2 PHE 3 6.990 -9.159 2.947 29 HZ PHE 3 HZ PHE 3 9.347 -9.737 2.519 30 HB2 PHE 3 HB2 PHE 3 5.526 -7.072 -0.911 31 HB3 PHE 3 HB3 PHE 3 6.826 -7.290 -2.074 32 HA PRO 4 HA PRO 4 5.605 -2.984 -4.327 33 HB2 PRO 4 HB2 PRO 4 7.158 -4.618 -6.245 34 HB3 PRO 4 HB3 PRO 4 7.070 -2.861 -6.084 35 HG2 PRO 4 HG2 PRO 4 9.256 -4.215 -5.339 36 HG3 PRO 4 HG3 PRO 4 8.691 -2.800 -4.431 37 HD2 PRO 4 HD2 PRO 4 8.382 -5.709 -3.794 38 HD3 PRO 4 HD3 PRO 4 8.752 -4.352 -2.710 39 H GLY 5 H GLY 5 3.730 -3.419 -5.373 40 HA2 GLY 5 HA2 GLY 5 2.238 -4.736 -6.654 41 HA3 GLY 5 HA3 GLY 5 3.166 -6.168 -6.224 42 H ALA 6 H ALA 6 3.053 -4.827 -3.384 43 HA ALA 6 HA ALA 6 0.638 -6.253 -2.597 44 HB1 ALA 6 HB1 ALA 6 2.715 -6.731 -1.385 45 HB2 ALA 6 HB2 ALA 6 1.481 -6.055 -0.321 46 HB3 ALA 6 HB3 ALA 6 2.809 -5.042 -0.885 47 H THR 7 H THR 7 -0.702 -5.247 -0.853 48 HA THR 7 HA THR 7 -1.352 -2.516 -1.640 49 HB THR 7 HB THR 7 -2.880 -4.347 0.217 50 HG1 THR 7 HG1 THR 7 -3.962 -4.036 -2.267 51 HG21 THR 7 HG21 THR 7 -3.489 -1.980 0.390 52 HG22 THR 7 HG22 THR 7 -4.791 -2.914 -0.346 53 HG23 THR 7 HG23 THR 7 -3.745 -1.914 -1.353 54 H VAL 8 H VAL 8 -1.237 -0.777 -0.263 55 HA VAL 8 HA VAL 8 -0.346 -1.290 2.497 56 HB VAL 8 HB VAL 8 1.043 0.816 2.314 57 HG11 VAL 8 HG11 VAL 8 1.873 -1.573 0.675 58 HG12 VAL 8 HG12 VAL 8 2.052 -1.390 2.420 59 HG13 VAL 8 HG13 VAL 8 2.960 -0.348 1.326 60 HG21 VAL 8 HG21 VAL 8 1.823 1.453 0.084 61 HG22 VAL 8 HG22 VAL 8 0.086 1.696 0.255 62 HG23 VAL 8 HG23 VAL 8 0.698 0.305 -0.639 63 H ARG 9 H ARG 9 -0.999 0.191 4.031 64 HA ARG 9 HA ARG 9 -3.140 2.024 3.171 65 HE ARG 9 HE ARG 9 -5.654 -0.232 5.795 66 HB2 ARG 9 HB2 ARG 9 -3.823 0.184 4.701 67 HB3 ARG 9 HB3 ARG 9 -2.679 0.780 5.896 68 HG2 ARG 9 HG2 ARG 9 -3.944 2.959 5.845 69 HG3 ARG 9 HG3 ARG 9 -5.170 2.123 4.890 70 HD2 ARG 9 HD2 ARG 9 -4.243 1.384 7.661 71 HD3 ARG 9 HD3 ARG 9 -5.778 2.140 7.241 72 HH11 ARG 9 HH11 ARG 9 -5.655 0.745 9.167 73 HH12 ARG 9 HH12 ARG 9 -6.409 -0.719 9.718 74 HH21 ARG 9 HH21 ARG 9 -6.657 -2.163 6.527 75 HH22 ARG 9 HH22 ARG 9 -6.986 -2.367 8.228 76 H VAL 10 H VAL 10 -3.041 4.172 3.805 77 HA VAL 10 HA VAL 10 -0.480 5.125 4.740 78 HB VAL 10 HB VAL 10 -3.024 6.688 4.250 79 HG11 VAL 10 HG11 VAL 10 -0.167 7.616 4.527 80 HG12 VAL 10 HG12 VAL 10 -1.462 7.867 5.698 81 HG13 VAL 10 HG13 VAL 10 -1.547 8.635 4.113 82 HG21 VAL 10 HG21 VAL 10 -0.659 6.221 2.432 83 HG22 VAL 10 HG22 VAL 10 -2.026 7.285 2.097 84 HG23 VAL 10 HG23 VAL 10 -2.275 5.545 2.230 85 H THR 11 H THR 11 0.034 4.988 6.795 86 HA THR 11 HA THR 11 -2.036 4.943 8.846 87 HB THR 11 HB THR 11 0.919 4.683 9.354 88 HG1 THR 11 HG1 THR 11 -0.766 2.478 8.734 89 HG21 THR 11 HG21 THR 11 -0.539 4.806 11.307 90 HG22 THR 11 HG22 THR 11 0.140 3.186 11.152 91 HG23 THR 11 HG23 THR 11 -1.529 3.492 10.671 92 H ASN 12 H ASN 12 0.016 7.199 7.408 93 HA ASN 12 HA ASN 12 0.660 8.839 9.621 94 HB2 ASN 12 HB2 ASN 12 1.779 8.972 7.400 95 HB3 ASN 12 HB3 ASN 12 0.300 9.636 6.721 96 HD21 ASN 12 HD21 ASN 12 3.080 10.685 7.030 97 HD22 ASN 12 HD22 ASN 12 2.859 12.243 7.758 98 H VAL 13 H VAL 13 -0.813 9.632 10.938 99 HA VAL 13 HA VAL 13 -3.561 9.860 10.221 100 HB VAL 13 HB VAL 13 -2.760 9.207 12.479 101 HG11 VAL 13 HG11 VAL 13 -0.923 10.787 12.713 102 HG12 VAL 13 HG12 VAL 13 -2.045 10.914 14.065 103 HG13 VAL 13 HG13 VAL 13 -2.070 12.125 12.783 104 HG21 VAL 13 HG21 VAL 13 -4.445 10.478 13.744 105 HG22 VAL 13 HG22 VAL 13 -5.054 9.925 12.184 106 HG23 VAL 13 HG23 VAL 13 -4.579 11.609 12.399 107 H ASP 14 H ASP 14 -0.900 12.024 10.213 108 HA ASP 14 HA ASP 14 -2.582 14.400 10.287 109 HB2 ASP 14 HB2 ASP 14 -0.427 14.351 11.509 110 HB3 ASP 14 HB3 ASP 14 0.421 14.150 9.980 111 H ASP 15 H ASP 15 -1.528 12.224 7.991 112 HA ASP 15 HA ASP 15 -1.259 14.142 5.834 113 HB2 ASP 15 HB2 ASP 15 0.106 12.052 5.891 114 HB3 ASP 15 HB3 ASP 15 -1.374 11.119 5.694 115 H THR 16 H THR 16 -2.577 13.766 3.826 116 HA THR 16 HA THR 16 -5.326 14.118 4.480 117 HB THR 16 HB THR 16 -4.040 13.812 1.761 118 HG1 THR 16 HG1 THR 16 -4.249 16.258 1.986 119 HG21 THR 16 HG21 THR 16 -6.619 15.143 2.595 120 HG22 THR 16 HG22 THR 16 -6.482 13.619 1.719 121 HG23 THR 16 HG23 THR 16 -5.950 15.122 0.964 122 H TYR 17 H TYR 17 -3.418 11.460 3.169 123 HA TYR 17 HA TYR 17 -5.868 10.060 2.398 124 HD1 TYR 17 HD2 TYR 17 -2.714 11.740 0.751 125 HD2 TYR 17 HD1 TYR 17 -5.829 9.102 -0.449 126 HE1 TYR 17 HE2 TYR 17 -3.118 13.130 -1.236 127 HE2 TYR 17 HE1 TYR 17 -6.247 10.493 -2.434 128 HH TYR 17 HH TYR 17 -4.125 13.086 -3.360 129 HB2 TYR 17 HB2 TYR 17 -2.959 9.532 1.784 130 HB3 TYR 17 HB3 TYR 17 -4.268 8.455 1.295 131 H TYR 18 H TYR 18 -5.015 10.410 5.196 132 HA TYR 18 HA TYR 18 -4.195 7.954 6.282 133 HD1 TYR 18 HD2 TYR 18 -3.612 7.470 8.638 134 HD2 TYR 18 HD1 TYR 18 -7.224 9.637 9.217 135 HE1 TYR 18 HE2 TYR 18 -4.046 6.188 10.693 136 HE2 TYR 18 HE1 TYR 18 -7.669 8.364 11.267 137 HH TYR 18 HH TYR 18 -5.342 6.466 12.810 138 HB2 TYR 18 HB2 TYR 18 -4.193 9.947 7.644 139 HB3 TYR 18 HB3 TYR 18 -5.926 10.159 7.419 140 H ARG 19 H ARG 19 -5.205 6.097 6.616 141 HA ARG 19 HA ARG 19 -6.786 4.480 6.751 142 HE ARG 19 HE ARG 19 -10.175 7.842 8.843 143 HB2 ARG 19 HB2 ARG 19 -8.728 6.777 6.632 144 HB3 ARG 19 HB3 ARG 19 -9.257 5.102 6.628 145 HG2 ARG 19 HG2 ARG 19 -7.903 4.860 8.779 146 HG3 ARG 19 HG3 ARG 19 -7.868 6.625 8.797 147 HD2 ARG 19 HD2 ARG 19 -10.336 4.893 8.745 148 HD3 ARG 19 HD3 ARG 19 -9.717 5.774 10.140 149 HH11 ARG 19 HH11 ARG 19 -11.865 4.876 8.039 150 HH12 ARG 19 HH12 ARG 19 -13.245 5.701 7.376 151 HH21 ARG 19 HH21 ARG 19 -11.999 8.924 7.957 152 HH22 ARG 19 HH22 ARG 19 -13.331 7.983 7.347 153 H PHE 20 H PHE 20 -5.986 6.192 4.138 154 HA PHE 20 HA PHE 20 -7.730 4.691 2.346 155 HD1 PHE 20 HD1 PHE 20 -7.151 8.253 3.339 156 HD2 PHE 20 HD2 PHE 20 -8.567 6.468 -0.253 157 HE1 PHE 20 HE1 PHE 20 -9.051 9.819 3.311 158 HE2 PHE 20 HE2 PHE 20 -10.467 8.024 -0.282 159 HZ PHE 20 HZ PHE 20 -10.711 9.703 1.500 160 HB2 PHE 20 HB2 PHE 20 -5.685 6.845 1.856 161 HB3 PHE 20 HB3 PHE 20 -6.424 5.932 0.556 162 H GLU 21 H GLU 21 -6.895 3.265 0.802 163 HA GLU 21 HA GLU 21 -4.249 2.165 1.478 164 HB2 GLU 21 HB2 GLU 21 -6.708 0.499 0.904 165 HB3 GLU 21 HB3 GLU 21 -5.118 -0.093 1.372 166 HG2 GLU 21 HG2 GLU 21 -5.382 1.104 3.534 167 HG3 GLU 21 HG3 GLU 21 -7.028 1.509 3.056 168 H GLY 22 H GLY 22 -2.975 1.771 -0.222 169 HA2 GLY 22 HA2 GLY 22 -4.225 1.731 -2.898 170 HA3 GLY 22 HA3 GLY 22 -2.869 2.797 -2.558 171 H LEU 23 H LEU 23 -2.212 1.415 -4.531 172 HA LEU 23 HA LEU 23 -1.119 -1.178 -3.684 173 HG LEU 23 HG LEU 23 0.256 -1.780 -6.364 174 HB2 LEU 23 HB2 LEU 23 -2.605 -1.147 -5.652 175 HB3 LEU 23 HB3 LEU 23 -1.518 -0.027 -6.450 176 HD11 LEU 23 HD11 LEU 23 -0.600 -3.088 -4.505 177 HD12 LEU 23 HD12 LEU 23 -0.436 -4.091 -5.948 178 HD13 LEU 23 HD13 LEU 23 -2.028 -3.519 -5.448 179 HD21 LEU 23 HD21 LEU 23 -1.092 -1.393 -8.367 180 HD22 LEU 23 HD22 LEU 23 -2.290 -2.546 -7.779 181 HD23 LEU 23 HD23 LEU 23 -0.664 -3.094 -8.189 182 H VAL 24 H VAL 24 1.046 -1.465 -3.500 183 HA VAL 24 HA VAL 24 2.828 0.741 -3.888 184 HB VAL 24 HB VAL 24 3.519 -2.169 -3.445 185 HG11 VAL 24 HG11 VAL 24 5.663 -1.295 -2.634 186 HG12 VAL 24 HG12 VAL 24 5.161 0.334 -3.087 187 HG13 VAL 24 HG13 VAL 24 5.387 -0.898 -4.329 188 HG21 VAL 24 HG21 VAL 24 3.217 0.067 -1.452 189 HG22 VAL 24 HG22 VAL 24 3.778 -1.566 -1.095 190 HG23 VAL 24 HG23 VAL 24 2.124 -1.304 -1.649 191 H GLN 25 H GLN 25 3.427 1.423 -5.822 192 HA GLN 25 HA GLN 25 3.286 -0.295 -8.135 193 HB2 GLN 25 HB2 GLN 25 2.883 2.304 -7.928 194 HB3 GLN 25 HB3 GLN 25 4.623 2.387 -8.166 195 HG2 GLN 25 HG2 GLN 25 3.968 2.543 -10.319 196 HG3 GLN 25 HG3 GLN 25 4.053 0.787 -10.191 197 HE21 GLN 25 HE21 GLN 25 2.096 -0.406 -10.002 198 HE22 GLN 25 HE22 GLN 25 0.587 0.288 -10.493 199 H ARG 26 H ARG 26 5.711 1.016 -6.006 200 HA ARG 26 HA ARG 26 7.644 -0.905 -6.604 201 HE ARG 26 HE ARG 26 9.303 1.999 -10.354 202 HB2 ARG 26 HB2 ARG 26 9.348 0.504 -7.717 203 HB3 ARG 26 HB3 ARG 26 7.935 0.238 -8.727 204 HG2 ARG 26 HG2 ARG 26 7.526 2.626 -7.239 205 HG3 ARG 26 HG3 ARG 26 9.132 2.686 -7.969 206 HD2 ARG 26 HD2 ARG 26 6.540 2.137 -9.413 207 HD3 ARG 26 HD3 ARG 26 7.459 3.642 -9.463 208 HH11 ARG 26 HH11 ARG 26 5.895 2.075 -11.150 209 HH12 ARG 26 HH12 ARG 26 6.108 1.376 -12.722 210 HH21 ARG 26 HH21 ARG 26 9.598 1.107 -12.451 211 HH22 ARG 26 HH22 ARG 26 8.211 0.863 -13.476 212 H VAL 27 H VAL 27 9.060 -0.973 -4.984 213 HA VAL 27 HA VAL 27 9.248 1.327 -3.156 214 HB VAL 27 HB VAL 27 10.160 -1.530 -2.713 215 HG11 VAL 27 HG11 VAL 27 10.027 0.814 -0.820 216 HG12 VAL 27 HG12 VAL 27 11.486 0.040 -1.434 217 HG13 VAL 27 HG13 VAL 27 10.404 -0.846 -0.360 218 HG21 VAL 27 HG21 VAL 27 8.273 -1.691 -1.146 219 HG22 VAL 27 HG22 VAL 27 7.741 -1.421 -2.804 220 HG23 VAL 27 HG23 VAL 27 7.734 -0.088 -1.649 221 H SER 28 H SER 28 10.902 2.632 -3.646 222 HA SER 28 HA SER 28 13.493 1.516 -4.305 223 HG SER 28 HG SER 28 14.028 3.609 -6.886 224 HB2 SER 28 HB2 SER 28 12.258 1.534 -6.464 225 HB3 SER 28 HB3 SER 28 12.026 3.271 -6.290 226 H ASP 29 H ASP 29 15.138 2.844 -3.825 227 HA ASP 29 HA ASP 29 16.343 4.674 -3.244 228 HB2 ASP 29 HB2 ASP 29 15.083 5.611 -5.264 229 HB3 ASP 29 HB3 ASP 29 14.025 6.400 -4.103 230 H GLY 30 H GLY 30 14.148 3.445 -1.502 231 HA2 GLY 30 HA2 GLY 30 14.044 3.694 0.837 232 HA3 GLY 30 HA3 GLY 30 14.515 5.377 0.663 233 H LYS 31 H LYS 31 12.199 4.893 -1.591 234 HA LYS 31 HA LYS 31 10.024 5.673 0.225 235 HB2 LYS 31 HB2 LYS 31 10.840 6.731 -2.486 236 HB3 LYS 31 HB3 LYS 31 9.284 7.062 -1.761 237 HG2 LYS 31 HG2 LYS 31 10.153 8.477 -0.186 238 HG3 LYS 31 HG3 LYS 31 11.722 7.669 -0.182 239 HD2 LYS 31 HD2 LYS 31 10.682 9.337 -2.471 240 HD3 LYS 31 HD3 LYS 31 11.746 9.950 -1.203 241 HE2 LYS 31 HE2 LYS 31 13.445 8.319 -1.821 242 HE3 LYS 31 HE3 LYS 31 12.376 7.648 -3.048 243 HZ1 LYS 31 HZ1 LYS 31 12.498 9.648 -4.298 244 HZ2 LYS 31 HZ2 LYS 31 14.091 9.202 -3.903 245 HZ3 LYS 31 HZ3 LYS 31 13.328 10.457 -3.056 246 H ALA 32 H ALA 32 7.845 5.468 -1.053 247 HA ALA 32 HA ALA 32 7.890 3.160 -2.866 248 HB1 ALA 32 HB1 ALA 32 7.453 2.275 -0.621 249 HB2 ALA 32 HB2 ALA 32 6.052 2.093 -1.676 250 HB3 ALA 32 HB3 ALA 32 6.081 3.370 -0.461 251 H ALA 33 H ALA 33 6.579 3.428 -4.578 252 HA ALA 33 HA ALA 33 4.983 5.860 -4.708 253 HB1 ALA 33 HB1 ALA 33 5.546 3.767 -6.813 254 HB2 ALA 33 HB2 ALA 33 6.430 5.277 -6.596 255 HB3 ALA 33 HB3 ALA 33 4.736 5.311 -7.080 256 H VAL 34 H VAL 34 2.935 5.829 -4.066 257 HA VAL 34 HA VAL 34 1.532 3.262 -3.961 258 HB VAL 34 HB VAL 34 0.789 5.896 -2.677 259 HG11 VAL 34 HG11 VAL 34 -0.787 4.546 -1.357 260 HG12 VAL 34 HG12 VAL 34 -0.358 3.126 -2.313 261 HG13 VAL 34 HG13 VAL 34 -1.156 4.498 -3.080 262 HG21 VAL 34 HG21 VAL 34 2.854 4.976 -1.759 263 HG22 VAL 34 HG22 VAL 34 2.048 3.434 -1.472 264 HG23 VAL 34 HG23 VAL 34 1.538 4.875 -0.589 265 H LEU 35 H LEU 35 0.194 2.788 -5.511 266 HA LEU 35 HA LEU 35 -0.882 4.868 -7.231 267 HG LEU 35 HG LEU 35 -2.899 3.159 -8.698 268 HB2 LEU 35 HB2 LEU 35 0.027 2.740 -8.160 269 HB3 LEU 35 HB3 LEU 35 -1.268 1.887 -7.355 270 HD11 LEU 35 HD11 LEU 35 -0.445 4.177 -10.110 271 HD12 LEU 35 HD12 LEU 35 -1.586 5.136 -9.166 272 HD13 LEU 35 HD13 LEU 35 -2.104 4.379 -10.673 273 HD21 LEU 35 HD21 LEU 35 -2.163 0.933 -9.384 274 HD22 LEU 35 HD22 LEU 35 -0.843 1.655 -10.305 275 HD23 LEU 35 HD23 LEU 35 -2.516 1.956 -10.776 276 H PHE 36 H PHE 36 -2.704 5.805 -6.702 277 HA PHE 36 HA PHE 36 -4.712 4.341 -5.174 278 HD1 PHE 36 HD2 PHE 36 -5.378 5.546 -2.839 279 HD2 PHE 36 HD1 PHE 36 -2.707 8.072 -4.985 280 HE1 PHE 36 HE2 PHE 36 -4.166 6.030 -0.752 281 HE2 PHE 36 HE1 PHE 36 -1.491 8.561 -2.904 282 HZ PHE 36 HZ PHE 36 -2.221 7.540 -0.782 283 HB2 PHE 36 HB2 PHE 36 -4.626 7.231 -6.045 284 HB3 PHE 36 HB3 PHE 36 -5.923 6.508 -5.110 285 H GLU 37 H GLU 37 -6.636 3.795 -5.991 286 HA GLU 37 HA GLU 37 -7.402 4.411 -8.688 287 HB2 GLU 37 HB2 GLU 37 -5.601 2.649 -8.895 288 HB3 GLU 37 HB3 GLU 37 -6.635 1.564 -7.986 289 HG2 GLU 37 HG2 GLU 37 -7.566 2.823 -10.534 290 HG3 GLU 37 HG3 GLU 37 -6.584 1.361 -10.532 291 H ASN 38 H ASN 38 -9.465 4.823 -8.320 292 HA ASN 38 HA ASN 38 -11.043 2.899 -6.772 293 HB2 ASN 38 HB2 ASN 38 -10.503 4.628 -5.173 294 HB3 ASN 38 HB3 ASN 38 -10.981 5.888 -6.307 295 HD21 ASN 38 HD21 ASN 38 -12.137 3.281 -4.278 296 HD22 ASN 38 HD22 ASN 38 -13.778 3.834 -4.184 297 H GLY 39 H GLY 39 -12.208 2.145 -8.421 298 HA2 GLY 39 HA2 GLY 39 -14.017 2.074 -9.834 299 HA3 GLY 39 HA3 GLY 39 -14.400 3.716 -9.343 300 H ASN 40 H ASN 40 -13.119 5.438 -10.330 301 HA ASN 40 HA ASN 40 -12.325 4.775 -13.091 302 HB2 ASN 40 HB2 ASN 40 -14.629 5.786 -12.901 303 HB3 ASN 40 HB3 ASN 40 -13.870 7.235 -12.255 304 HD21 ASN 40 HD21 ASN 40 -14.431 8.584 -13.875 305 HD22 ASN 40 HD22 ASN 40 -13.830 8.445 -15.502 306 H TRP 41 H TRP 41 -11.655 6.341 -10.168 307 HA TRP 41 HA TRP 41 -9.941 8.372 -11.329 308 HD1 TRP 41 HD1 TRP 41 -9.117 10.862 -10.160 309 HE1 TRP 41 HE1 TRP 41 -7.310 11.747 -8.551 310 HE3 TRP 41 HE3 TRP 41 -9.488 7.313 -6.489 311 HZ2 TRP 41 HZ2 TRP 41 -6.201 11.039 -6.059 312 HZ3 TRP 41 HZ3 TRP 41 -8.021 7.500 -4.519 313 HH2 TRP 41 HH2 TRP 41 -6.413 9.324 -4.313 314 HB2 TRP 41 HB2 TRP 41 -11.265 9.105 -9.512 315 HB3 TRP 41 HB3 TRP 41 -10.774 7.754 -8.501 316 H ASP 42 H ASP 42 -7.819 8.441 -11.262 317 HA ASP 42 HA ASP 42 -6.306 6.269 -9.977 318 HB2 ASP 42 HB2 ASP 42 -5.938 7.245 -12.811 319 HB3 ASP 42 HB3 ASP 42 -4.793 6.221 -11.971 320 H LYS 43 H LYS 43 -4.332 6.887 -9.186 321 HA LYS 43 HA LYS 43 -3.001 9.271 -9.988 322 HB2 LYS 43 HB2 LYS 43 -4.841 10.233 -8.596 323 HB3 LYS 43 HB3 LYS 43 -4.222 9.320 -7.225 324 HG2 LYS 43 HG2 LYS 43 -2.155 10.539 -7.274 325 HG3 LYS 43 HG3 LYS 43 -2.637 11.374 -8.751 326 HD2 LYS 43 HD2 LYS 43 -4.502 12.418 -7.529 327 HD3 LYS 43 HD3 LYS 43 -3.977 11.606 -6.055 328 HE2 LYS 43 HE2 LYS 43 -3.198 13.918 -6.111 329 HE3 LYS 43 HE3 LYS 43 -1.844 12.790 -6.153 330 HZ1 LYS 43 HZ1 LYS 43 -2.990 14.264 -8.465 331 HZ2 LYS 43 HZ2 LYS 43 -1.751 13.108 -8.580 332 HZ3 LYS 43 HZ3 LYS 43 -1.488 14.551 -7.729 333 H LEU 44 H LEU 44 -0.934 8.755 -9.822 334 HA LEU 44 HA LEU 44 -0.109 6.796 -7.809 335 HG LEU 44 HG LEU 44 2.930 7.139 -8.428 336 HB2 LEU 44 HB2 LEU 44 0.555 6.365 -10.127 337 HB3 LEU 44 HB3 LEU 44 1.362 7.921 -10.196 338 HD11 LEU 44 HD11 LEU 44 3.041 4.751 -7.935 339 HD12 LEU 44 HD12 LEU 44 1.567 4.490 -8.866 340 HD13 LEU 44 HD13 LEU 44 1.521 5.460 -7.394 341 HD21 LEU 44 HD21 LEU 44 2.807 5.414 -10.896 342 HD22 LEU 44 HD22 LEU 44 4.226 5.682 -9.883 343 HD23 LEU 44 HD23 LEU 44 3.525 7.021 -10.792 344 H VAL 45 H VAL 45 0.456 7.658 -5.926 345 HA VAL 45 HA VAL 45 2.073 10.129 -5.966 346 HB VAL 45 HB VAL 45 0.276 9.247 -3.701 347 HG11 VAL 45 HG11 VAL 45 1.746 11.831 -4.216 348 HG12 VAL 45 HG12 VAL 45 2.151 10.621 -2.999 349 HG13 VAL 45 HG13 VAL 45 0.646 11.529 -2.871 350 HG21 VAL 45 HG21 VAL 45 -0.244 11.369 -5.780 351 HG22 VAL 45 HG22 VAL 45 -1.246 11.035 -4.369 352 HG23 VAL 45 HG23 VAL 45 -1.086 9.827 -5.643 353 H THR 46 H THR 46 4.097 9.795 -5.335 354 HA THR 46 HA THR 46 4.857 7.349 -4.023 355 HB THR 46 HB THR 46 6.603 9.763 -4.433 356 HG1 THR 46 HG1 THR 46 5.354 8.492 -6.346 357 HG21 THR 46 HG21 THR 46 7.214 6.811 -4.288 358 HG22 THR 46 HG22 THR 46 7.531 7.999 -3.025 359 HG23 THR 46 HG23 THR 46 8.399 8.093 -4.556 360 H PHE 47 H PHE 47 5.175 7.044 -1.942 361 HA PHE 47 HA PHE 47 5.084 9.362 -0.130 362 HD1 PHE 47 HD1 PHE 47 2.945 10.066 1.449 363 HD2 PHE 47 HD2 PHE 47 1.879 6.944 -1.236 364 HE1 PHE 47 HE1 PHE 47 0.828 11.219 0.956 365 HE2 PHE 47 HE2 PHE 47 -0.235 8.094 -1.739 366 HZ PHE 47 HZ PHE 47 -0.763 10.234 -0.641 367 HB2 PHE 47 HB2 PHE 47 3.724 6.682 0.177 368 HB3 PHE 47 HB3 PHE 47 3.990 7.771 1.530 369 H ARG 48 H ARG 48 5.751 8.445 2.166 370 HA ARG 48 HA ARG 48 8.376 7.248 1.766 371 HE ARG 48 HE ARG 48 10.119 9.935 4.855 372 HB2 ARG 48 HB2 ARG 48 7.145 8.618 4.168 373 HB3 ARG 48 HB3 ARG 48 8.794 8.011 4.092 374 HG2 ARG 48 HG2 ARG 48 9.439 9.618 2.517 375 HG3 ARG 48 HG3 ARG 48 7.770 10.014 2.115 376 HD2 ARG 48 HD2 ARG 48 8.666 11.797 3.422 377 HD3 ARG 48 HD3 ARG 48 7.496 10.925 4.407 378 HH11 ARG 48 HH11 ARG 48 7.972 12.602 5.593 379 HH12 ARG 48 HH12 ARG 48 8.826 13.064 7.039 380 HH21 ARG 48 HH21 ARG 48 11.227 10.514 6.767 381 HH22 ARG 48 HH22 ARG 48 10.680 11.868 7.711 382 H LEU 49 H LEU 49 9.070 5.644 3.380 383 HA LEU 49 HA LEU 49 7.237 3.470 3.414 384 HG LEU 49 HG LEU 49 10.133 3.822 2.271 385 HB2 LEU 49 HB2 LEU 49 9.948 3.765 4.718 386 HB3 LEU 49 HB3 LEU 49 9.042 2.268 4.619 387 HD11 LEU 49 HD11 LEU 49 10.970 1.206 3.510 388 HD12 LEU 49 HD12 LEU 49 11.881 2.715 3.526 389 HD13 LEU 49 HD13 LEU 49 11.604 1.868 2.004 390 HD21 LEU 49 HD21 LEU 49 8.045 2.711 1.693 391 HD22 LEU 49 HD22 LEU 49 8.643 1.198 2.373 392 HD23 LEU 49 HD23 LEU 49 9.412 1.885 0.943 393 H SER 50 H SER 50 8.235 5.900 5.687 394 HA SER 50 HA SER 50 7.062 4.726 7.974 395 HG SER 50 HG SER 50 9.512 6.229 7.025 396 HB2 SER 50 HB2 SER 50 7.702 7.591 7.418 397 HB3 SER 50 HB3 SER 50 7.552 6.826 8.976 398 H GLU 51 H GLU 51 5.823 6.164 5.190 399 HA GLU 51 HA GLU 51 3.478 7.330 6.476 400 HB2 GLU 51 HB2 GLU 51 4.673 7.389 3.822 401 HB3 GLU 51 HB3 GLU 51 2.934 7.153 3.756 402 HG2 GLU 51 HG2 GLU 51 3.513 9.499 3.612 403 HG3 GLU 51 HG3 GLU 51 2.598 9.164 5.079 404 H LEU 52 H LEU 52 4.412 4.273 5.259 405 HA LEU 52 HA LEU 52 1.610 3.524 4.763 406 HG LEU 52 HG LEU 52 3.630 4.665 2.668 407 HB2 LEU 52 HB2 LEU 52 4.114 2.385 3.533 408 HB3 LEU 52 HB3 LEU 52 2.471 1.924 3.147 409 HD11 LEU 52 HD11 LEU 52 4.727 2.999 1.284 410 HD12 LEU 52 HD12 LEU 52 3.670 4.026 0.315 411 HD13 LEU 52 HD13 LEU 52 3.159 2.394 0.749 412 HD21 LEU 52 HD21 LEU 52 1.216 4.673 2.990 413 HD22 LEU 52 HD22 LEU 52 1.040 3.406 1.773 414 HD23 LEU 52 HD23 LEU 52 1.631 5.002 1.306 415 H GLU 53 H GLU 53 0.809 1.701 5.642 416 HA GLU 53 HA GLU 53 2.665 -0.074 7.082 417 HB2 GLU 53 HB2 GLU 53 0.753 -0.876 8.361 418 HB3 GLU 53 HB3 GLU 53 0.868 0.871 8.498 419 HG2 GLU 53 HG2 GLU 53 -0.902 1.110 6.817 420 HG3 GLU 53 HG3 GLU 53 -1.029 -0.648 6.720 421 H ALA 54 H ALA 54 2.700 -2.235 6.537 422 HA ALA 54 HA ALA 54 1.710 -2.888 3.918 423 HB1 ALA 54 HB1 ALA 54 3.140 -4.623 5.940 424 HB2 ALA 54 HB2 ALA 54 3.903 -3.694 4.648 425 HB3 ALA 54 HB3 ALA 54 2.832 -5.039 4.256 426 H VAL 55 H VAL 55 -0.305 -3.504 3.570 427 HA VAL 55 HA VAL 55 -2.034 -4.383 5.660 428 HB VAL 55 HB VAL 55 -2.567 -4.686 2.707 429 HG11 VAL 55 HG11 VAL 55 -4.906 -4.367 3.349 430 HG12 VAL 55 HG12 VAL 55 -4.421 -4.242 5.040 431 HG13 VAL 55 HG13 VAL 55 -4.189 -5.755 4.165 432 HG21 VAL 55 HG21 VAL 55 -1.812 -2.408 3.088 433 HG22 VAL 55 HG22 VAL 55 -2.969 -2.230 4.408 434 HG23 VAL 55 HG23 VAL 55 -3.544 -2.435 2.752 435 H LYS 56 H LYS 56 -3.355 -6.474 5.167 436 HA LYS 56 HA LYS 56 -1.397 -8.569 5.473 437 HB2 LYS 56 HB2 LYS 56 -4.407 -8.704 5.704 438 HB3 LYS 56 HB3 LYS 56 -3.242 -9.864 6.325 439 HG2 LYS 56 HG2 LYS 56 -2.393 -8.233 7.896 440 HG3 LYS 56 HG3 LYS 56 -3.466 -7.004 7.229 441 HD2 LYS 56 HD2 LYS 56 -5.396 -8.446 7.897 442 HD3 LYS 56 HD3 LYS 56 -4.247 -9.500 8.727 443 HE2 LYS 56 HE2 LYS 56 -5.249 -7.940 10.295 444 HE3 LYS 56 HE3 LYS 56 -3.528 -7.606 10.110 445 HZ1 LYS 56 HZ1 LYS 56 -5.636 -6.141 8.615 446 HZ2 LYS 56 HZ2 LYS 56 -3.999 -5.728 8.759 447 HZ3 LYS 56 HZ3 LYS 56 -5.024 -5.610 10.102 448 HA PRO 57 HA PRO 57 -1.666 -10.310 1.440 449 HB2 PRO 57 HB2 PRO 57 -1.876 -12.969 2.736 450 HB3 PRO 57 HB3 PRO 57 -0.678 -12.370 1.584 451 HG2 PRO 57 HG2 PRO 57 -0.067 -12.695 4.162 452 HG3 PRO 57 HG3 PRO 57 0.575 -11.329 3.229 453 HD2 PRO 57 HD2 PRO 57 -1.658 -11.386 5.216 454 HD3 PRO 57 HD3 PRO 57 -0.411 -10.150 4.959 455 H ILE 58 H ILE 58 -3.051 -11.497 0.006 456 HA ILE 58 HA ILE 58 -5.824 -11.351 0.773 457 HB ILE 58 HB ILE 58 -4.717 -12.495 -1.792 458 HG12 ILE 58 HG12 ILE 58 -5.450 -10.134 -2.662 459 HG13 ILE 58 HG13 ILE 58 -5.230 -9.645 -0.987 460 HG21 ILE 58 HG21 ILE 58 -6.901 -11.909 -2.723 461 HG22 ILE 58 HG22 ILE 58 -7.414 -11.342 -1.134 462 HG23 ILE 58 HG23 ILE 58 -7.038 -13.046 -1.381 463 HD11 ILE 58 HD11 ILE 58 -3.128 -10.844 -2.779 464 HD12 ILE 58 HD12 ILE 58 -2.895 -10.371 -1.096 465 HD13 ILE 58 HD13 ILE 58 -3.264 -9.148 -2.312 466 H LEU 59 H LEU 59 -7.280 -13.224 0.515 467 HA LEU 59 HA LEU 59 -5.959 -15.509 1.800 468 HG LEU 59 HG LEU 59 -7.386 -13.138 3.209 469 HB2 LEU 59 HB2 LEU 59 -8.851 -14.648 1.900 470 HB3 LEU 59 HB3 LEU 59 -8.168 -16.019 2.753 471 HD11 LEU 59 HD11 LEU 59 -9.654 -13.555 3.955 472 HD12 LEU 59 HD12 LEU 59 -8.575 -13.385 5.340 473 HD13 LEU 59 HD13 LEU 59 -9.121 -14.986 4.838 474 HD21 LEU 59 HD21 LEU 59 -6.610 -15.685 4.627 475 HD22 LEU 59 HD22 LEU 59 -6.258 -14.059 5.213 476 HD23 LEU 59 HD23 LEU 59 -5.551 -14.623 3.698 477 H GLU 60 H GLU 60 -5.472 -16.982 0.322 478 HA GLU 60 HA GLU 60 -7.569 -17.805 -1.578 479 HB2 GLU 60 HB2 GLU 60 -5.381 -16.959 -2.524 480 HB3 GLU 60 HB3 GLU 60 -4.593 -18.342 -1.778 481 HG2 GLU 60 HG2 GLU 60 -6.055 -19.830 -3.117 482 HG3 GLU 60 HG3 GLU 60 -6.704 -18.399 -3.917 483 H HIS 61 H HIS 61 -6.801 -18.551 1.346 484 HA HIS 61 HA HIS 61 -7.057 -21.436 0.931 485 HD1 HIS 61 HD1 HIS 61 -3.061 -19.912 1.063 486 HD2 HIS 61 HD2 HIS 61 -5.128 -23.503 0.653 487 HE1 HIS 61 HE1 HIS 61 -1.754 -21.268 -0.607 488 HE2 HIS 61 HE2 HIS 61 -3.035 -23.426 -0.866 489 HB2 HIS 61 HB2 HIS 61 -4.982 -20.070 2.628 490 HB3 HIS 61 HB3 HIS 61 -5.520 -21.707 2.994 491 H HIS 62 H HIS 62 -7.617 -22.550 3.018 492 HA HIS 62 HA HIS 62 -10.006 -21.504 4.042 493 HD1 HIS 62 HD1 HIS 62 -9.337 -24.173 7.499 494 HD2 HIS 62 HD2 HIS 62 -12.171 -23.257 4.590 495 HE1 HIS 62 HE1 HIS 62 -11.575 -24.503 8.595 496 HE2 HIS 62 HE2 HIS 62 -13.275 -23.934 6.832 497 HB2 HIS 62 HB2 HIS 62 -9.322 -23.937 3.926 498 HB3 HIS 62 HB3 HIS 62 -8.289 -23.646 5.319 499 H HIS 63 H HIS 63 -10.514 -20.422 5.889 500 HA HIS 63 HA HIS 63 -8.576 -18.742 7.034 501 HD1 HIS 63 HD1 HIS 63 -12.911 -19.954 6.809 502 HD2 HIS 63 HD2 HIS 63 -11.069 -19.803 10.534 503 HE1 HIS 63 HE1 HIS 63 -14.362 -21.317 8.345 504 HE2 HIS 63 HE2 HIS 63 -13.309 -21.089 10.619 505 HB2 HIS 63 HB2 HIS 63 -10.302 -17.955 8.506 506 HB3 HIS 63 HB3 HIS 63 -11.027 -18.245 6.932 507 H HIS 64 H HIS 64 -7.822 -18.609 9.191 508 HA HIS 64 HA HIS 64 -7.521 -21.253 10.460 509 HD1 HIS 64 HD1 HIS 64 -3.714 -18.667 9.340 510 HD2 HIS 64 HD2 HIS 64 -5.939 -22.128 8.707 511 HE1 HIS 64 HE1 HIS 64 -2.738 -19.738 7.279 512 HE2 HIS 64 HE2 HIS 64 -4.171 -21.768 6.849 513 HB2 HIS 64 HB2 HIS 64 -5.787 -18.786 10.777 514 HB3 HIS 64 HB3 HIS 64 -5.489 -20.356 11.505 515 H HIS 65 H HIS 65 -7.194 -21.010 12.956 516 HA HIS 65 HA HIS 65 -9.446 -19.374 13.894 517 HD1 HIS 65 HD1 HIS 65 -9.323 -23.899 14.803 518 HD2 HIS 65 HD2 HIS 65 -11.520 -20.566 13.630 519 HE1 HIS 65 HE1 HIS 65 -11.397 -24.806 13.705 520 HE2 HIS 65 HE2 HIS 65 -12.804 -22.774 13.208 521 HB2 HIS 65 HB2 HIS 65 -8.061 -21.770 15.102 522 HB3 HIS 65 HB3 HIS 65 -9.239 -20.804 15.985 523 H HIS 66 H HIS 66 -9.264 -18.325 15.988 524 HA HIS 66 HA HIS 66 -6.557 -17.682 16.876 525 HD1 HIS 66 HD1 HIS 66 -8.186 -15.024 13.688 526 HD2 HIS 66 HD2 HIS 66 -4.686 -16.096 15.652 527 HE1 HIS 66 HE1 HIS 66 -6.347 -14.748 11.994 528 HE2 HIS 66 HE2 HIS 66 -4.221 -15.187 13.276 529 HB2 HIS 66 HB2 HIS 66 -8.613 -15.644 16.009 530 HB3 HIS 66 HB3 HIS 66 -7.265 -15.245 17.064 Start of MODEL 14 1 HA MET 1 HA MET 1 10.228 -4.502 4.548 2 H1 MET 1 H1 MET 1 9.846 -5.655 6.655 3 H2 MET 1 H2 MET 1 8.352 -6.208 6.065 4 H3 MET 1 H3 MET 1 8.624 -4.548 6.258 5 HB2 MET 1 HB2 MET 1 10.742 -6.543 3.230 6 HB3 MET 1 HB3 MET 1 11.293 -6.640 4.893 7 HG2 MET 1 HG2 MET 1 8.729 -7.878 3.920 8 HG3 MET 1 HG3 MET 1 10.269 -8.732 3.967 9 HE1 MET 1 HE1 MET 1 7.551 -9.690 5.378 10 HE2 MET 1 HE2 MET 1 8.154 -10.269 6.932 11 HE3 MET 1 HE3 MET 1 9.039 -10.633 5.448 12 H ILE 2 H ILE 2 9.265 -3.495 2.943 13 HA ILE 2 HA ILE 2 6.653 -4.494 2.021 14 HB ILE 2 HB ILE 2 7.843 -1.748 1.590 15 HG12 ILE 2 HG12 ILE 2 5.737 -2.623 3.583 16 HG13 ILE 2 HG13 ILE 2 7.401 -2.215 3.988 17 HG21 ILE 2 HG21 ILE 2 5.549 -1.121 0.959 18 HG22 ILE 2 HG22 ILE 2 5.051 -2.802 1.148 19 HG23 ILE 2 HG23 ILE 2 6.211 -2.364 -0.105 20 HD11 ILE 2 HD11 ILE 2 7.024 0.070 3.212 21 HD12 ILE 2 HD12 ILE 2 5.896 -0.381 4.493 22 HD13 ILE 2 HD13 ILE 2 5.357 -0.346 2.813 23 H PHE 3 H PHE 3 6.276 -4.856 -0.141 24 HA PHE 3 HA PHE 3 8.612 -4.753 -1.929 25 HD1 PHE 3 HD1 PHE 3 10.317 -6.582 -1.818 26 HD2 PHE 3 HD2 PHE 3 6.966 -8.252 0.204 27 HE1 PHE 3 HE1 PHE 3 11.832 -7.719 -0.250 28 HE2 PHE 3 HE2 PHE 3 8.476 -9.386 1.778 29 HZ PHE 3 HZ PHE 3 10.913 -9.119 1.551 30 HB2 PHE 3 HB2 PHE 3 6.617 -7.021 -1.695 31 HB3 PHE 3 HB3 PHE 3 7.917 -6.924 -2.877 32 HA PRO 4 HA PRO 4 5.859 -2.981 -4.939 33 HB2 PRO 4 HB2 PRO 4 7.062 -4.622 -7.055 34 HB3 PRO 4 HB3 PRO 4 7.111 -2.871 -6.836 35 HG2 PRO 4 HG2 PRO 4 9.284 -4.433 -6.467 36 HG3 PRO 4 HG3 PRO 4 9.005 -2.951 -5.534 37 HD2 PRO 4 HD2 PRO 4 8.583 -5.804 -4.736 38 HD3 PRO 4 HD3 PRO 4 9.221 -4.447 -3.783 39 H GLY 5 H GLY 5 3.811 -3.475 -5.435 40 HA2 GLY 5 HA2 GLY 5 2.080 -4.798 -6.346 41 HA3 GLY 5 HA3 GLY 5 3.147 -6.195 -6.284 42 H ALA 6 H ALA 6 2.841 -4.085 -3.549 43 HA ALA 6 HA ALA 6 1.189 -6.114 -2.198 44 HB1 ALA 6 HB1 ALA 6 3.387 -4.458 -0.964 45 HB2 ALA 6 HB2 ALA 6 3.508 -6.162 -1.401 46 HB3 ALA 6 HB3 ALA 6 2.390 -5.652 -0.136 47 H THR 7 H THR 7 -0.419 -5.398 -0.845 48 HA THR 7 HA THR 7 -1.362 -2.714 -1.288 49 HB THR 7 HB THR 7 -2.579 -4.758 0.563 50 HG1 THR 7 HG1 THR 7 -3.561 -5.677 -1.192 51 HG21 THR 7 HG21 THR 7 -4.676 -3.627 -0.059 52 HG22 THR 7 HG22 THR 7 -3.763 -2.507 -1.071 53 HG23 THR 7 HG23 THR 7 -3.526 -2.508 0.677 54 H VAL 8 H VAL 8 -1.182 -1.044 0.064 55 HA VAL 8 HA VAL 8 -0.263 -1.565 2.808 56 HB VAL 8 HB VAL 8 1.080 0.523 2.697 57 HG11 VAL 8 HG11 VAL 8 2.169 -1.633 2.479 58 HG12 VAL 8 HG12 VAL 8 2.963 -0.437 1.452 59 HG13 VAL 8 HG13 VAL 8 1.871 -1.626 0.740 60 HG21 VAL 8 HG21 VAL 8 1.710 1.396 0.471 61 HG22 VAL 8 HG22 VAL 8 0.008 1.645 0.853 62 HG23 VAL 8 HG23 VAL 8 0.483 0.355 -0.252 63 H ARG 9 H ARG 9 -0.654 0.231 4.273 64 HA ARG 9 HA ARG 9 -3.075 1.746 3.551 65 HE ARG 9 HE ARG 9 -2.573 0.253 7.953 66 HB2 ARG 9 HB2 ARG 9 -3.681 0.029 5.089 67 HB3 ARG 9 HB3 ARG 9 -2.290 0.352 6.108 68 HG2 ARG 9 HG2 ARG 9 -3.272 2.497 6.759 69 HG3 ARG 9 HG3 ARG 9 -4.676 2.152 5.741 70 HD2 ARG 9 HD2 ARG 9 -4.949 1.614 8.197 71 HD3 ARG 9 HD3 ARG 9 -5.303 0.295 7.080 72 HH11 ARG 9 HH11 ARG 9 -5.845 -0.674 8.859 73 HH12 ARG 9 HH12 ARG 9 -5.310 -1.907 9.967 74 HH21 ARG 9 HH21 ARG 9 -1.886 -1.377 9.376 75 HH22 ARG 9 HH22 ARG 9 -3.068 -2.325 10.238 76 H VAL 10 H VAL 10 -2.862 3.895 3.666 77 HA VAL 10 HA VAL 10 -0.352 5.058 4.286 78 HB VAL 10 HB VAL 10 -3.004 6.464 3.934 79 HG11 VAL 10 HG11 VAL 10 -1.622 8.396 3.284 80 HG12 VAL 10 HG12 VAL 10 -0.171 7.480 3.696 81 HG13 VAL 10 HG13 VAL 10 -1.337 7.901 4.952 82 HG21 VAL 10 HG21 VAL 10 -2.530 5.079 2.005 83 HG22 VAL 10 HG22 VAL 10 -0.898 5.737 1.900 84 HG23 VAL 10 HG23 VAL 10 -2.289 6.777 1.595 85 H THR 11 H THR 11 0.441 5.349 6.242 86 HA THR 11 HA THR 11 -1.373 5.522 8.527 87 HB THR 11 HB THR 11 1.554 5.462 8.955 88 HG1 THR 11 HG1 THR 11 0.121 3.427 7.588 89 HG21 THR 11 HG21 THR 11 0.901 3.788 10.637 90 HG22 THR 11 HG22 THR 11 -0.761 3.862 10.054 91 HG23 THR 11 HG23 THR 11 -0.028 5.277 10.807 92 H ASN 12 H ASN 12 0.462 7.534 6.537 93 HA ASN 12 HA ASN 12 1.344 9.483 8.383 94 HB2 ASN 12 HB2 ASN 12 2.239 9.357 6.107 95 HB3 ASN 12 HB3 ASN 12 0.659 9.764 5.446 96 HD21 ASN 12 HD21 ASN 12 1.568 11.555 4.389 97 HD22 ASN 12 HD22 ASN 12 1.961 13.004 5.254 98 H VAL 13 H VAL 13 0.120 10.661 9.662 99 HA VAL 13 HA VAL 13 -2.707 10.764 9.370 100 HB VAL 13 HB VAL 13 -0.953 12.345 11.246 101 HG11 VAL 13 HG11 VAL 13 -3.156 13.312 11.091 102 HG12 VAL 13 HG12 VAL 13 -2.994 12.475 12.636 103 HG13 VAL 13 HG13 VAL 13 -3.901 11.729 11.319 104 HG21 VAL 13 HG21 VAL 13 -1.465 10.596 12.885 105 HG22 VAL 13 HG22 VAL 13 -0.587 9.954 11.495 106 HG23 VAL 13 HG23 VAL 13 -2.326 9.692 11.638 107 H ASP 14 H ASP 14 -0.115 13.070 8.779 108 HA ASP 14 HA ASP 14 -1.998 15.198 8.177 109 HB2 ASP 14 HB2 ASP 14 0.154 15.670 9.360 110 HB3 ASP 14 HB3 ASP 14 1.021 15.188 7.906 111 H ASP 15 H ASP 15 -2.137 12.838 6.616 112 HA ASP 15 HA ASP 15 -1.321 13.871 3.983 113 HB2 ASP 15 HB2 ASP 15 -0.363 11.624 4.835 114 HB3 ASP 15 HB3 ASP 15 -1.975 10.987 4.520 115 H THR 16 H THR 16 -2.804 13.397 2.216 116 HA THR 16 HA THR 16 -5.525 13.928 2.945 117 HB THR 16 HB THR 16 -4.445 13.226 0.209 118 HG1 THR 16 HG1 THR 16 -3.780 15.300 1.723 119 HG21 THR 16 HG21 THR 16 -6.862 14.817 1.071 120 HG22 THR 16 HG22 THR 16 -6.883 13.197 0.377 121 HG23 THR 16 HG23 THR 16 -6.339 14.564 -0.594 122 H TYR 17 H TYR 17 -3.641 11.142 2.036 123 HA TYR 17 HA TYR 17 -6.064 9.545 1.594 124 HD1 TYR 17 HD1 TYR 17 -6.152 9.072 -1.140 125 HD2 TYR 17 HD2 TYR 17 -2.282 10.577 -0.204 126 HE1 TYR 17 HE1 TYR 17 -6.180 10.417 -3.201 127 HE2 TYR 17 HE2 TYR 17 -2.299 11.923 -2.259 128 HH TYR 17 HH TYR 17 -5.132 12.428 -4.089 129 HB2 TYR 17 HB2 TYR 17 -3.181 8.799 1.070 130 HB3 TYR 17 HB3 TYR 17 -4.616 7.935 0.522 131 H TYR 18 H TYR 18 -5.024 10.424 4.224 132 HA TYR 18 HA TYR 18 -3.802 8.349 5.634 133 HD1 TYR 18 HD2 TYR 18 -3.043 8.076 7.660 134 HD2 TYR 18 HD1 TYR 18 -6.281 10.558 8.862 135 HE1 TYR 18 HE2 TYR 18 -2.840 7.219 9.959 136 HE2 TYR 18 HE1 TYR 18 -6.084 9.717 11.158 137 HH TYR 18 HH TYR 18 -3.411 7.896 12.241 138 HB2 TYR 18 HB2 TYR 18 -4.008 10.613 6.527 139 HB3 TYR 18 HB3 TYR 18 -5.756 10.438 6.621 140 H ARG 19 H ARG 19 -4.441 6.457 6.347 141 HA ARG 19 HA ARG 19 -5.692 4.714 7.064 142 HE ARG 19 HE ARG 19 -8.415 4.286 9.702 143 HB2 ARG 19 HB2 ARG 19 -8.028 6.611 6.892 144 HB3 ARG 19 HB3 ARG 19 -8.145 4.957 7.470 145 HG2 ARG 19 HG2 ARG 19 -6.441 5.566 9.219 146 HG3 ARG 19 HG3 ARG 19 -6.647 7.245 8.711 147 HD2 ARG 19 HD2 ARG 19 -8.080 6.914 10.573 148 HD3 ARG 19 HD3 ARG 19 -9.108 6.960 9.143 149 HH11 ARG 19 HH11 ARG 19 -10.448 6.883 10.902 150 HH12 ARG 19 HH12 ARG 19 -11.552 5.819 11.714 151 HH21 ARG 19 HH21 ARG 19 -9.847 2.887 10.808 152 HH22 ARG 19 HH22 ARG 19 -11.204 3.551 11.675 153 H PHE 20 H PHE 20 -6.024 6.197 4.079 154 HA PHE 20 HA PHE 20 -7.889 4.306 2.969 155 HD1 PHE 20 HD2 PHE 20 -9.605 5.332 1.036 156 HD2 PHE 20 HD1 PHE 20 -7.146 8.314 2.815 157 HE1 PHE 20 HE2 PHE 20 -11.573 6.781 1.315 158 HE2 PHE 20 HE1 PHE 20 -9.111 9.767 3.100 159 HZ PHE 20 HZ PHE 20 -11.327 9.002 2.350 160 HB2 PHE 20 HB2 PHE 20 -6.161 6.453 1.750 161 HB3 PHE 20 HB3 PHE 20 -7.120 5.351 0.772 162 H GLU 21 H GLU 21 -7.333 2.896 1.174 163 HA GLU 21 HA GLU 21 -4.807 1.521 1.758 164 HB2 GLU 21 HB2 GLU 21 -7.288 0.426 0.417 165 HB3 GLU 21 HB3 GLU 21 -5.888 -0.495 0.951 166 HG2 GLU 21 HG2 GLU 21 -6.396 0.019 3.262 167 HG3 GLU 21 HG3 GLU 21 -7.750 1.027 2.758 168 H GLY 22 H GLY 22 -3.370 1.056 0.156 169 HA2 GLY 22 HA2 GLY 22 -4.112 1.609 -2.627 170 HA3 GLY 22 HA3 GLY 22 -2.783 2.530 -1.937 171 H LEU 23 H LEU 23 -2.157 1.085 -4.096 172 HA LEU 23 HA LEU 23 -0.849 -1.318 -2.987 173 HG LEU 23 HG LEU 23 -1.147 -3.421 -4.128 174 HB2 LEU 23 HB2 LEU 23 -2.761 -1.537 -4.753 175 HB3 LEU 23 HB3 LEU 23 -1.542 -1.009 -5.894 176 HD11 LEU 23 HD11 LEU 23 -1.862 -4.785 -6.029 177 HD12 LEU 23 HD12 LEU 23 -2.304 -3.324 -6.912 178 HD13 LEU 23 HD13 LEU 23 -3.173 -3.762 -5.442 179 HD21 LEU 23 HD21 LEU 23 0.103 -2.575 -6.741 180 HD22 LEU 23 HD22 LEU 23 0.473 -4.046 -5.841 181 HD23 LEU 23 HD23 LEU 23 0.861 -2.470 -5.152 182 H VAL 24 H VAL 24 1.299 -1.214 -2.973 183 HA VAL 24 HA VAL 24 2.703 1.017 -4.066 184 HB VAL 24 HB VAL 24 3.893 -1.566 -3.049 185 HG11 VAL 24 HG11 VAL 24 5.047 1.209 -3.298 186 HG12 VAL 24 HG12 VAL 24 5.444 -0.178 -4.313 187 HG13 VAL 24 HG13 VAL 24 5.863 -0.190 -2.599 188 HG21 VAL 24 HG21 VAL 24 3.206 0.950 -1.536 189 HG22 VAL 24 HG22 VAL 24 4.116 -0.415 -0.893 190 HG23 VAL 24 HG23 VAL 24 2.428 -0.622 -1.358 191 H GLN 25 H GLN 25 3.455 1.304 -6.019 192 HA GLN 25 HA GLN 25 3.461 -0.973 -7.873 193 HB2 GLN 25 HB2 GLN 25 3.435 2.011 -8.279 194 HB3 GLN 25 HB3 GLN 25 3.701 0.879 -9.596 195 HG2 GLN 25 HG2 GLN 25 1.256 0.985 -7.842 196 HG3 GLN 25 HG3 GLN 25 1.378 1.641 -9.471 197 HE21 GLN 25 HE21 GLN 25 1.163 -1.229 -7.545 198 HE22 GLN 25 HE22 GLN 25 0.813 -2.317 -8.840 199 H ARG 26 H ARG 26 5.507 1.352 -6.355 200 HA ARG 26 HA ARG 26 7.860 0.140 -7.549 201 HE ARG 26 HE ARG 26 11.416 3.579 -9.516 202 HB2 ARG 26 HB2 ARG 26 7.118 2.045 -9.030 203 HB3 ARG 26 HB3 ARG 26 7.408 3.126 -7.676 204 HG2 ARG 26 HG2 ARG 26 9.751 2.617 -7.697 205 HG3 ARG 26 HG3 ARG 26 9.509 1.367 -8.920 206 HD2 ARG 26 HD2 ARG 26 8.654 3.122 -10.457 207 HD3 ARG 26 HD3 ARG 26 9.071 4.332 -9.245 208 HH11 ARG 26 HH11 ARG 26 9.085 2.989 -12.066 209 HH12 ARG 26 HH12 ARG 26 10.280 2.924 -13.324 210 HH21 ARG 26 HH21 ARG 26 12.999 3.481 -11.178 211 HH22 ARG 26 HH22 ARG 26 12.500 3.195 -12.819 212 H VAL 27 H VAL 27 9.173 -0.276 -5.947 213 HA VAL 27 HA VAL 27 9.013 1.332 -3.489 214 HB VAL 27 HB VAL 27 10.205 -1.420 -3.893 215 HG11 VAL 27 HG11 VAL 27 10.299 -1.507 -1.440 216 HG12 VAL 27 HG12 VAL 27 9.767 0.173 -1.368 217 HG13 VAL 27 HG13 VAL 27 11.322 -0.230 -2.097 218 HG21 VAL 27 HG21 VAL 27 8.286 -2.216 -2.596 219 HG22 VAL 27 HG22 VAL 27 7.788 -1.458 -4.108 220 HG23 VAL 27 HG23 VAL 27 7.621 -0.581 -2.586 221 H SER 28 H SER 28 10.636 2.603 -2.916 222 HA SER 28 HA SER 28 13.212 2.326 -4.305 223 HG SER 28 HG SER 28 14.127 5.019 -4.632 224 HB2 SER 28 HB2 SER 28 12.070 4.506 -4.591 225 HB3 SER 28 HB3 SER 28 12.027 4.710 -2.841 226 H ASP 29 H ASP 29 14.986 3.387 -2.676 227 HA ASP 29 HA ASP 29 15.107 1.521 -0.484 228 HB2 ASP 29 HB2 ASP 29 17.015 3.541 -1.628 229 HB3 ASP 29 HB3 ASP 29 17.353 2.747 -0.094 230 H GLY 30 H GLY 30 13.072 3.577 -0.345 231 HA2 GLY 30 HA2 GLY 30 13.079 4.284 2.305 232 HA3 GLY 30 HA3 GLY 30 13.881 5.619 1.490 233 H LYS 31 H LYS 31 12.299 5.270 -0.948 234 HA LYS 31 HA LYS 31 9.813 6.493 -0.023 235 HB2 LYS 31 HB2 LYS 31 11.198 6.555 -2.714 236 HB3 LYS 31 HB3 LYS 31 9.708 7.382 -2.322 237 HG2 LYS 31 HG2 LYS 31 10.839 8.799 -0.740 238 HG3 LYS 31 HG3 LYS 31 12.341 7.901 -0.976 239 HD2 LYS 31 HD2 LYS 31 12.401 8.599 -3.312 240 HD3 LYS 31 HD3 LYS 31 10.888 9.482 -3.097 241 HE2 LYS 31 HE2 LYS 31 13.400 10.045 -1.527 242 HE3 LYS 31 HE3 LYS 31 12.971 10.883 -3.019 243 HZ1 LYS 31 HZ1 LYS 31 11.026 11.767 -1.997 244 HZ2 LYS 31 HZ2 LYS 31 12.329 12.074 -0.956 245 HZ3 LYS 31 HZ3 LYS 31 11.239 10.819 -0.608 246 H ALA 32 H ALA 32 7.873 6.028 -1.388 247 HA ALA 32 HA ALA 32 7.912 3.523 -2.868 248 HB1 ALA 32 HB1 ALA 32 6.150 3.884 -0.444 249 HB2 ALA 32 HB2 ALA 32 7.522 2.784 -0.572 250 HB3 ALA 32 HB3 ALA 32 6.094 2.529 -1.573 251 H ALA 33 H ALA 33 6.378 3.477 -4.464 252 HA ALA 33 HA ALA 33 4.695 5.884 -4.683 253 HB1 ALA 33 HB1 ALA 33 6.245 5.439 -6.540 254 HB2 ALA 33 HB2 ALA 33 4.561 5.361 -7.060 255 HB3 ALA 33 HB3 ALA 33 5.475 3.874 -6.801 256 H VAL 34 H VAL 34 2.696 5.608 -3.955 257 HA VAL 34 HA VAL 34 1.503 2.927 -4.025 258 HB VAL 34 HB VAL 34 0.671 5.378 -2.464 259 HG11 VAL 34 HG11 VAL 34 -0.822 3.857 -1.258 260 HG12 VAL 34 HG12 VAL 34 -0.364 2.549 -2.347 261 HG13 VAL 34 HG13 VAL 34 -1.235 3.950 -2.970 262 HG21 VAL 34 HG21 VAL 34 2.764 4.493 -1.662 263 HG22 VAL 34 HG22 VAL 34 2.089 2.863 -1.614 264 HG23 VAL 34 HG23 VAL 34 1.478 4.102 -0.518 265 H LEU 35 H LEU 35 -0.120 2.465 -5.321 266 HA LEU 35 HA LEU 35 -1.268 4.585 -6.968 267 HG LEU 35 HG LEU 35 -3.321 2.878 -8.405 268 HB2 LEU 35 HB2 LEU 35 -0.373 2.493 -7.992 269 HB3 LEU 35 HB3 LEU 35 -1.617 1.595 -7.160 270 HD11 LEU 35 HD11 LEU 35 -2.648 4.193 -10.350 271 HD12 LEU 35 HD12 LEU 35 -0.953 3.959 -9.922 272 HD13 LEU 35 HD13 LEU 35 -2.010 4.885 -8.857 273 HD21 LEU 35 HD21 LEU 35 -1.289 1.406 -10.072 274 HD22 LEU 35 HD22 LEU 35 -2.947 1.751 -10.560 275 HD23 LEU 35 HD23 LEU 35 -2.635 0.690 -9.186 276 H PHE 36 H PHE 36 -3.234 5.361 -6.620 277 HA PHE 36 HA PHE 36 -5.063 3.791 -4.932 278 HD1 PHE 36 HD2 PHE 36 -5.384 4.905 -2.355 279 HD2 PHE 36 HD1 PHE 36 -3.012 7.477 -4.779 280 HE1 PHE 36 HE2 PHE 36 -3.855 5.277 -0.463 281 HE2 PHE 36 HE1 PHE 36 -1.478 7.850 -2.894 282 HZ PHE 36 HZ PHE 36 -1.898 6.750 -0.733 283 HB2 PHE 36 HB2 PHE 36 -5.136 6.752 -5.533 284 HB3 PHE 36 HB3 PHE 36 -6.236 5.892 -4.468 285 H GLU 37 H GLU 37 -7.061 3.285 -5.689 286 HA GLU 37 HA GLU 37 -7.541 3.881 -8.527 287 HB2 GLU 37 HB2 GLU 37 -6.740 1.596 -8.311 288 HB3 GLU 37 HB3 GLU 37 -7.940 1.260 -7.070 289 HG2 GLU 37 HG2 GLU 37 -9.721 1.483 -8.665 290 HG3 GLU 37 HG3 GLU 37 -8.584 1.980 -9.918 291 H ASN 38 H ASN 38 -9.297 5.021 -8.776 292 HA ASN 38 HA ASN 38 -11.562 4.602 -6.939 293 HB2 ASN 38 HB2 ASN 38 -10.675 6.875 -6.877 294 HB3 ASN 38 HB3 ASN 38 -10.836 7.014 -8.623 295 HD21 ASN 38 HD21 ASN 38 -12.722 7.717 -9.445 296 HD22 ASN 38 HD22 ASN 38 -14.152 8.031 -8.523 297 H GLY 39 H GLY 39 -10.462 4.003 -10.051 298 HA2 GLY 39 HA2 GLY 39 -11.865 2.561 -11.430 299 HA3 GLY 39 HA3 GLY 39 -13.232 3.574 -10.985 300 H ASN 40 H ASN 40 -13.076 5.886 -11.663 301 HA ASN 40 HA ASN 40 -12.095 6.038 -14.400 302 HB2 ASN 40 HB2 ASN 40 -14.384 6.823 -13.777 303 HB3 ASN 40 HB3 ASN 40 -13.649 8.085 -12.800 304 HD21 ASN 40 HD21 ASN 40 -14.167 6.905 -16.040 305 HD22 ASN 40 HD22 ASN 40 -13.828 8.396 -16.847 306 H TRP 41 H TRP 41 -11.175 6.939 -11.277 307 HA TRP 41 HA TRP 41 -9.221 8.890 -12.284 308 HD1 TRP 41 HD1 TRP 41 -8.657 11.701 -10.885 309 HE1 TRP 41 HE1 TRP 41 -6.865 12.348 -9.153 310 HE3 TRP 41 HE3 TRP 41 -9.094 7.697 -7.738 311 HZ2 TRP 41 HZ2 TRP 41 -5.789 11.295 -6.764 312 HZ3 TRP 41 HZ3 TRP 41 -7.650 7.597 -5.752 313 HH2 TRP 41 HH2 TRP 41 -6.033 9.356 -5.278 314 HB2 TRP 41 HB2 TRP 41 -10.676 9.957 -10.755 315 HB3 TRP 41 HB3 TRP 41 -10.565 8.645 -9.594 316 H ASP 42 H ASP 42 -7.152 8.588 -11.959 317 HA ASP 42 HA ASP 42 -6.231 6.428 -10.192 318 HB2 ASP 42 HB2 ASP 42 -5.324 6.848 -13.053 319 HB3 ASP 42 HB3 ASP 42 -4.504 5.806 -11.901 320 H LYS 43 H LYS 43 -4.154 6.768 -9.335 321 HA LYS 43 HA LYS 43 -2.553 8.990 -10.130 322 HB2 LYS 43 HB2 LYS 43 -4.358 10.159 -8.901 323 HB3 LYS 43 HB3 LYS 43 -3.984 9.201 -7.478 324 HG2 LYS 43 HG2 LYS 43 -1.749 10.198 -7.393 325 HG3 LYS 43 HG3 LYS 43 -2.138 11.166 -8.818 326 HD2 LYS 43 HD2 LYS 43 -3.909 12.292 -7.622 327 HD3 LYS 43 HD3 LYS 43 -3.655 11.260 -6.214 328 HE2 LYS 43 HE2 LYS 43 -1.373 12.178 -5.994 329 HE3 LYS 43 HE3 LYS 43 -1.700 13.254 -7.350 330 HZ1 LYS 43 HZ1 LYS 43 -2.007 14.319 -5.170 331 HZ2 LYS 43 HZ2 LYS 43 -3.253 13.218 -4.824 332 HZ3 LYS 43 HZ3 LYS 43 -3.428 14.319 -6.104 333 H LEU 44 H LEU 44 -0.598 8.220 -9.899 334 HA LEU 44 HA LEU 44 0.037 6.371 -7.734 335 HG LEU 44 HG LEU 44 3.056 6.382 -8.106 336 HB2 LEU 44 HB2 LEU 44 0.801 5.947 -10.066 337 HB3 LEU 44 HB3 LEU 44 1.770 7.406 -9.983 338 HD11 LEU 44 HD11 LEU 44 2.864 3.965 -7.755 339 HD12 LEU 44 HD12 LEU 44 1.481 3.919 -8.849 340 HD13 LEU 44 HD13 LEU 44 1.371 4.803 -7.326 341 HD21 LEU 44 HD21 LEU 44 3.884 6.316 -10.407 342 HD22 LEU 44 HD22 LEU 44 3.016 4.804 -10.678 343 HD23 LEU 44 HD23 LEU 44 4.341 4.865 -9.516 344 H VAL 45 H VAL 45 0.489 7.296 -5.830 345 HA VAL 45 HA VAL 45 1.889 9.889 -5.844 346 HB VAL 45 HB VAL 45 0.374 8.734 -3.511 347 HG11 VAL 45 HG11 VAL 45 1.242 11.544 -4.180 348 HG12 VAL 45 HG12 VAL 45 1.979 10.483 -2.979 349 HG13 VAL 45 HG13 VAL 45 0.329 11.060 -2.751 350 HG21 VAL 45 HG21 VAL 45 -0.674 10.602 -5.633 351 HG22 VAL 45 HG22 VAL 45 -1.504 10.181 -4.135 352 HG23 VAL 45 HG23 VAL 45 -1.196 8.942 -5.350 353 H THR 46 H THR 46 3.923 9.929 -5.145 354 HA THR 46 HA THR 46 5.072 7.587 -3.904 355 HB THR 46 HB THR 46 6.524 10.174 -4.338 356 HG1 THR 46 HG1 THR 46 5.360 8.584 -6.227 357 HG21 THR 46 HG21 THR 46 8.431 8.664 -4.706 358 HG22 THR 46 HG22 THR 46 7.373 7.277 -4.446 359 HG23 THR 46 HG23 THR 46 7.693 8.403 -3.126 360 H PHE 47 H PHE 47 5.463 7.339 -1.850 361 HA PHE 47 HA PHE 47 5.355 9.641 -0.015 362 HD1 PHE 47 HD1 PHE 47 2.968 10.229 1.102 363 HD2 PHE 47 HD2 PHE 47 2.502 6.450 -0.798 364 HE1 PHE 47 HE1 PHE 47 0.694 10.859 0.405 365 HE2 PHE 47 HE2 PHE 47 0.234 7.078 -1.501 366 HZ PHE 47 HZ PHE 47 -0.672 9.285 -0.900 367 HB2 PHE 47 HB2 PHE 47 4.351 6.829 0.529 368 HB3 PHE 47 HB3 PHE 47 4.367 8.151 1.686 369 H ARG 48 H ARG 48 6.158 8.331 2.277 370 HA ARG 48 HA ARG 48 8.761 7.194 1.543 371 HE ARG 48 HE ARG 48 7.754 10.691 4.733 372 HB2 ARG 48 HB2 ARG 48 7.816 8.428 4.139 373 HB3 ARG 48 HB3 ARG 48 9.384 7.672 3.916 374 HG2 ARG 48 HG2 ARG 48 9.953 9.331 2.219 375 HG3 ARG 48 HG3 ARG 48 8.374 10.089 2.434 376 HD2 ARG 48 HD2 ARG 48 10.477 9.794 4.577 377 HD3 ARG 48 HD3 ARG 48 10.171 11.259 3.645 378 HH11 ARG 48 HH11 ARG 48 10.973 11.148 6.042 379 HH12 ARG 48 HH12 ARG 48 10.394 11.712 7.587 380 HH21 ARG 48 HH21 ARG 48 6.993 11.451 6.736 381 HH22 ARG 48 HH22 ARG 48 8.139 11.877 7.977 382 H LEU 49 H LEU 49 9.506 5.430 3.008 383 HA LEU 49 HA LEU 49 7.518 3.366 3.051 384 HG LEU 49 HG LEU 49 10.112 3.442 1.498 385 HB2 LEU 49 HB2 LEU 49 10.397 3.420 3.955 386 HB3 LEU 49 HB3 LEU 49 9.388 1.990 4.047 387 HD11 LEU 49 HD11 LEU 49 12.034 2.314 2.488 388 HD12 LEU 49 HD12 LEU 49 11.492 1.480 1.032 389 HD13 LEU 49 HD13 LEU 49 11.101 0.820 2.619 390 HD21 LEU 49 HD21 LEU 49 7.940 2.360 1.357 391 HD22 LEU 49 HD22 LEU 49 8.632 0.856 1.965 392 HD23 LEU 49 HD23 LEU 49 9.130 1.485 0.394 393 H SER 50 H SER 50 8.902 5.561 5.320 394 HA SER 50 HA SER 50 7.847 4.206 7.634 395 HG SER 50 HG SER 50 9.939 6.903 6.381 396 HB2 SER 50 HB2 SER 50 8.531 6.388 8.771 397 HB3 SER 50 HB3 SER 50 9.828 5.461 8.016 398 H GLU 51 H GLU 51 6.572 6.104 5.182 399 HA GLU 51 HA GLU 51 4.532 7.378 6.852 400 HB2 GLU 51 HB2 GLU 51 4.850 7.312 3.845 401 HB3 GLU 51 HB3 GLU 51 3.657 8.263 4.718 402 HG2 GLU 51 HG2 GLU 51 6.629 8.570 5.037 403 HG3 GLU 51 HG3 GLU 51 5.637 9.535 3.948 404 H LEU 52 H LEU 52 5.003 4.407 5.413 405 HA LEU 52 HA LEU 52 2.120 3.861 5.255 406 HG LEU 52 HG LEU 52 3.698 5.159 3.007 407 HB2 LEU 52 HB2 LEU 52 4.311 2.737 3.513 408 HB3 LEU 52 HB3 LEU 52 2.604 2.385 3.384 409 HD11 LEU 52 HD11 LEU 52 4.783 3.697 1.392 410 HD12 LEU 52 HD12 LEU 52 3.598 4.735 0.598 411 HD13 LEU 52 HD13 LEU 52 3.216 3.042 0.912 412 HD21 LEU 52 HD21 LEU 52 1.126 3.838 2.147 413 HD22 LEU 52 HD22 LEU 52 1.596 5.503 1.805 414 HD23 LEU 52 HD23 LEU 52 1.307 4.992 3.468 415 H GLU 53 H GLU 53 1.596 1.565 5.525 416 HA GLU 53 HA GLU 53 3.723 -0.219 6.293 417 HB2 GLU 53 HB2 GLU 53 2.346 -1.042 8.296 418 HB3 GLU 53 HB3 GLU 53 3.279 0.429 8.494 419 HG2 GLU 53 HG2 GLU 53 1.325 1.032 9.486 420 HG3 GLU 53 HG3 GLU 53 1.030 1.589 7.842 421 H ALA 54 H ALA 54 3.131 -2.439 6.071 422 HA ALA 54 HA ALA 54 1.214 -2.704 3.925 423 HB1 ALA 54 HB1 ALA 54 2.993 -4.778 5.201 424 HB2 ALA 54 HB2 ALA 54 3.405 -3.800 3.793 425 HB3 ALA 54 HB3 ALA 54 2.084 -4.966 3.703 426 H VAL 55 H VAL 55 -0.678 -3.830 3.963 427 HA VAL 55 HA VAL 55 -1.926 -4.249 6.505 428 HB VAL 55 HB VAL 55 -3.040 -5.383 3.967 429 HG11 VAL 55 HG11 VAL 55 -4.309 -4.007 6.325 430 HG12 VAL 55 HG12 VAL 55 -4.273 -5.743 6.020 431 HG13 VAL 55 HG13 VAL 55 -5.171 -4.679 4.940 432 HG21 VAL 55 HG21 VAL 55 -3.975 -3.217 3.344 433 HG22 VAL 55 HG22 VAL 55 -2.211 -3.168 3.339 434 HG23 VAL 55 HG23 VAL 55 -3.108 -2.451 4.678 435 H LYS 56 H LYS 56 -3.057 -6.445 6.857 436 HA LYS 56 HA LYS 56 -0.978 -8.388 7.078 437 HB2 LYS 56 HB2 LYS 56 -3.922 -8.535 7.749 438 HB3 LYS 56 HB3 LYS 56 -2.735 -9.750 8.178 439 HG2 LYS 56 HG2 LYS 56 -1.551 -8.064 9.539 440 HG3 LYS 56 HG3 LYS 56 -2.830 -6.909 9.160 441 HD2 LYS 56 HD2 LYS 56 -3.204 -7.935 11.340 442 HD3 LYS 56 HD3 LYS 56 -4.476 -8.390 10.203 443 HE2 LYS 56 HE2 LYS 56 -3.800 -10.332 11.478 444 HE3 LYS 56 HE3 LYS 56 -3.306 -10.527 9.798 445 HZ1 LYS 56 HZ1 LYS 56 -1.066 -9.704 10.508 446 HZ2 LYS 56 HZ2 LYS 56 -1.507 -11.210 11.144 447 HZ3 LYS 56 HZ3 LYS 56 -1.591 -9.828 12.117 448 HA PRO 57 HA PRO 57 -1.825 -10.811 3.336 449 HB2 PRO 57 HB2 PRO 57 -0.918 -12.927 5.246 450 HB3 PRO 57 HB3 PRO 57 -0.418 -12.636 3.575 451 HG2 PRO 57 HG2 PRO 57 1.163 -11.957 5.605 452 HG3 PRO 57 HG3 PRO 57 1.031 -10.927 4.167 453 HD2 PRO 57 HD2 PRO 57 -0.128 -10.545 6.886 454 HD3 PRO 57 HD3 PRO 57 0.453 -9.336 5.725 455 H ILE 58 H ILE 58 -3.836 -11.496 2.898 456 HA ILE 58 HA ILE 58 -5.823 -11.119 4.732 457 HB ILE 58 HB ILE 58 -6.405 -13.050 2.567 458 HG12 ILE 58 HG12 ILE 58 -6.727 -10.879 1.112 459 HG13 ILE 58 HG13 ILE 58 -5.479 -10.229 2.169 460 HG21 ILE 58 HG21 ILE 58 -8.440 -11.693 2.370 461 HG22 ILE 58 HG22 ILE 58 -7.832 -10.638 3.646 462 HG23 ILE 58 HG23 ILE 58 -8.197 -12.328 3.997 463 HD11 ILE 58 HD11 ILE 58 -5.228 -12.668 0.422 464 HD12 ILE 58 HD12 ILE 58 -3.974 -12.032 1.488 465 HD13 ILE 58 HD13 ILE 58 -4.527 -11.080 0.109 466 H LEU 59 H LEU 59 -6.926 -12.206 6.078 467 HA LEU 59 HA LEU 59 -6.363 -15.063 6.497 468 HG LEU 59 HG LEU 59 -5.860 -15.765 8.796 469 HB2 LEU 59 HB2 LEU 59 -5.757 -13.282 8.310 470 HB3 LEU 59 HB3 LEU 59 -7.483 -13.225 8.601 471 HD11 LEU 59 HD11 LEU 59 -5.039 -14.144 10.419 472 HD12 LEU 59 HD12 LEU 59 -5.928 -15.442 11.216 473 HD13 LEU 59 HD13 LEU 59 -6.685 -13.866 10.987 474 HD21 LEU 59 HD21 LEU 59 -7.772 -16.592 10.055 475 HD22 LEU 59 HD22 LEU 59 -8.267 -16.072 8.444 476 HD23 LEU 59 HD23 LEU 59 -8.597 -15.047 9.841 477 H GLU 60 H GLU 60 -7.951 -16.122 5.541 478 HA GLU 60 HA GLU 60 -10.265 -14.988 4.559 479 HB2 GLU 60 HB2 GLU 60 -9.057 -17.192 3.964 480 HB3 GLU 60 HB3 GLU 60 -10.083 -17.911 5.199 481 HG2 GLU 60 HG2 GLU 60 -12.013 -17.550 3.991 482 HG3 GLU 60 HG3 GLU 60 -11.287 -16.267 3.022 483 H HIS 61 H HIS 61 -12.461 -15.211 5.083 484 HA HIS 61 HA HIS 61 -13.118 -14.228 7.514 485 HD1 HIS 61 HD1 HIS 61 -17.162 -16.284 6.843 486 HD2 HIS 61 HD2 HIS 61 -15.245 -12.919 8.363 487 HE1 HIS 61 HE1 HIS 61 -18.718 -15.335 8.578 488 HE2 HIS 61 HE2 HIS 61 -17.467 -13.397 9.592 489 HB2 HIS 61 HB2 HIS 61 -14.648 -14.237 5.587 490 HB3 HIS 61 HB3 HIS 61 -14.933 -15.959 5.824 491 H HIS 62 H HIS 62 -12.772 -14.957 9.431 492 HA HIS 62 HA HIS 62 -12.602 -17.695 10.133 493 HD1 HIS 62 HD1 HIS 62 -11.634 -13.561 10.976 494 HD2 HIS 62 HD2 HIS 62 -14.618 -15.174 13.391 495 HE1 HIS 62 HE1 HIS 62 -12.891 -11.595 11.911 496 HE2 HIS 62 HE2 HIS 62 -14.666 -12.583 13.404 497 HB2 HIS 62 HB2 HIS 62 -12.515 -16.848 12.475 498 HB3 HIS 62 HB3 HIS 62 -11.359 -16.063 11.407 499 H HIS 63 H HIS 63 -13.985 -18.939 11.364 500 HA HIS 63 HA HIS 63 -16.774 -18.513 10.870 501 HD1 HIS 63 HD1 HIS 63 -16.716 -21.732 14.093 502 HD2 HIS 63 HD2 HIS 63 -13.151 -20.492 12.335 503 HE1 HIS 63 HE1 HIS 63 -14.889 -22.474 15.659 504 HE2 HIS 63 HE2 HIS 63 -12.739 -21.840 14.505 505 HB2 HIS 63 HB2 HIS 63 -17.091 -20.698 11.876 506 HB3 HIS 63 HB3 HIS 63 -15.712 -20.764 10.786 507 H HIS 64 H HIS 64 -18.292 -19.114 12.816 508 HA HIS 64 HA HIS 64 -17.959 -17.110 14.832 509 HD1 HIS 64 HD1 HIS 64 -20.155 -19.577 17.329 510 HD2 HIS 64 HD2 HIS 64 -20.794 -15.764 15.779 511 HE1 HIS 64 HE1 HIS 64 -21.181 -18.244 19.196 512 HE2 HIS 64 HE2 HIS 64 -21.581 -15.944 18.244 513 HB2 HIS 64 HB2 HIS 64 -20.189 -17.864 14.009 514 HB3 HIS 64 HB3 HIS 64 -19.910 -19.428 14.765 515 H HIS 65 H HIS 65 -16.621 -17.300 16.506 516 HA HIS 65 HA HIS 65 -16.091 -20.015 17.528 517 HD1 HIS 65 HD1 HIS 65 -12.622 -17.585 19.190 518 HD2 HIS 65 HD2 HIS 65 -14.779 -16.138 15.937 519 HE1 HIS 65 HE1 HIS 65 -12.107 -15.129 19.072 520 HE2 HIS 65 HE2 HIS 65 -13.637 -14.240 17.279 521 HB2 HIS 65 HB2 HIS 65 -13.796 -19.394 17.981 522 HB3 HIS 65 HB3 HIS 65 -14.150 -19.052 16.294 523 H HIS 66 H HIS 66 -15.177 -19.963 19.797 524 HA HIS 66 HA HIS 66 -16.581 -17.923 21.393 525 HD1 HIS 66 HD1 HIS 66 -17.538 -22.293 21.121 526 HD2 HIS 66 HD2 HIS 66 -19.184 -18.596 22.076 527 HE1 HIS 66 HE1 HIS 66 -19.983 -22.469 20.548 528 HE2 HIS 66 HE2 HIS 66 -20.938 -20.186 21.037 529 HB2 HIS 66 HB2 HIS 66 -15.876 -20.780 22.110 530 HB3 HIS 66 HB3 HIS 66 -16.569 -19.614 23.231 Start of MODEL 15 1 HA MET 1 HA MET 1 11.616 -3.660 3.450 2 H1 MET 1 H1 MET 1 12.157 -4.690 5.540 3 H2 MET 1 H2 MET 1 10.796 -5.696 5.439 4 H3 MET 1 H3 MET 1 10.603 -4.019 5.587 5 HB2 MET 1 HB2 MET 1 11.992 -5.620 1.965 6 HB3 MET 1 HB3 MET 1 13.090 -5.566 3.335 7 HG2 MET 1 HG2 MET 1 11.785 -7.261 4.475 8 HG3 MET 1 HG3 MET 1 10.628 -7.286 3.145 9 HE1 MET 1 HE1 MET 1 14.537 -6.922 2.804 10 HE2 MET 1 HE2 MET 1 15.031 -8.612 2.691 11 HE3 MET 1 HE3 MET 1 14.359 -7.990 4.197 12 H ILE 2 H ILE 2 10.167 -3.159 1.908 13 HA ILE 2 HA ILE 2 7.536 -4.492 2.060 14 HB ILE 2 HB ILE 2 8.148 -1.676 1.126 15 HG12 ILE 2 HG12 ILE 2 6.855 -2.685 3.671 16 HG13 ILE 2 HG13 ILE 2 8.422 -1.892 3.545 17 HG21 ILE 2 HG21 ILE 2 6.238 -2.569 -0.047 18 HG22 ILE 2 HG22 ILE 2 5.693 -1.386 1.143 19 HG23 ILE 2 HG23 ILE 2 5.519 -3.111 1.468 20 HD11 ILE 2 HD11 ILE 2 7.330 0.166 2.835 21 HD12 ILE 2 HD12 ILE 2 6.717 -0.379 4.396 22 HD13 ILE 2 HD13 ILE 2 5.758 -0.624 2.936 23 H PHE 3 H PHE 3 6.479 -4.991 0.093 24 HA PHE 3 HA PHE 3 8.332 -5.216 -2.185 25 HD1 PHE 3 HD1 PHE 3 9.543 -7.775 -2.403 26 HD2 PHE 3 HD2 PHE 3 6.685 -7.762 0.750 27 HE1 PHE 3 HE1 PHE 3 11.090 -9.076 -1.001 28 HE2 PHE 3 HE2 PHE 3 8.228 -9.057 2.161 29 HZ PHE 3 HZ PHE 3 10.434 -9.719 1.285 30 HB2 PHE 3 HB2 PHE 3 6.063 -7.068 -1.418 31 HB3 PHE 3 HB3 PHE 3 7.141 -7.274 -2.793 32 HA PRO 4 HA PRO 4 5.337 -3.031 -4.669 33 HB2 PRO 4 HB2 PRO 4 6.323 -4.557 -6.966 34 HB3 PRO 4 HB3 PRO 4 6.431 -2.824 -6.650 35 HG2 PRO 4 HG2 PRO 4 8.591 -4.434 -6.567 36 HG3 PRO 4 HG3 PRO 4 8.420 -3.018 -5.514 37 HD2 PRO 4 HD2 PRO 4 7.974 -5.915 -4.884 38 HD3 PRO 4 HD3 PRO 4 8.761 -4.657 -3.904 39 H GLY 5 H GLY 5 3.378 -3.419 -5.745 40 HA2 GLY 5 HA2 GLY 5 1.617 -4.683 -6.585 41 HA3 GLY 5 HA3 GLY 5 2.589 -6.136 -6.384 42 H ALA 6 H ALA 6 2.772 -4.449 -3.566 43 HA ALA 6 HA ALA 6 0.680 -6.098 -2.341 44 HB1 ALA 6 HB1 ALA 6 1.868 -5.732 -0.227 45 HB2 ALA 6 HB2 ALA 6 3.039 -4.710 -1.063 46 HB3 ALA 6 HB3 ALA 6 2.929 -6.427 -1.453 47 H THR 7 H THR 7 -0.705 -5.185 -0.762 48 HA THR 7 HA THR 7 -1.436 -2.443 -1.359 49 HB THR 7 HB THR 7 -2.847 -4.334 0.519 50 HG1 THR 7 HG1 THR 7 -4.171 -4.696 -1.473 51 HG21 THR 7 HG21 THR 7 -4.818 -2.999 -0.082 52 HG22 THR 7 HG22 THR 7 -3.813 -1.986 -1.117 53 HG23 THR 7 HG23 THR 7 -3.554 -1.996 0.627 54 H VAL 8 H VAL 8 -1.048 -0.780 -0.065 55 HA VAL 8 HA VAL 8 -0.244 -1.292 2.722 56 HB VAL 8 HB VAL 8 1.193 0.749 2.570 57 HG11 VAL 8 HG11 VAL 8 2.174 -1.475 2.457 58 HG12 VAL 8 HG12 VAL 8 3.050 -0.360 1.409 59 HG13 VAL 8 HG13 VAL 8 1.916 -1.517 0.713 60 HG21 VAL 8 HG21 VAL 8 1.875 1.559 0.369 61 HG22 VAL 8 HG22 VAL 8 0.139 1.772 0.611 62 HG23 VAL 8 HG23 VAL 8 0.734 0.453 -0.399 63 H ARG 9 H ARG 9 -0.700 0.492 4.190 64 HA ARG 9 HA ARG 9 -2.976 2.120 3.264 65 HE ARG 9 HE ARG 9 -5.682 3.094 7.753 66 HB2 ARG 9 HB2 ARG 9 -3.657 0.336 4.810 67 HB3 ARG 9 HB3 ARG 9 -2.509 0.923 6.000 68 HG2 ARG 9 HG2 ARG 9 -3.754 2.916 6.337 69 HG3 ARG 9 HG3 ARG 9 -4.801 2.562 4.959 70 HD2 ARG 9 HD2 ARG 9 -5.770 0.696 6.077 71 HD3 ARG 9 HD3 ARG 9 -4.575 0.772 7.369 72 HH11 ARG 9 HH11 ARG 9 -7.307 0.142 6.797 73 HH12 ARG 9 HH12 ARG 9 -8.785 0.533 7.615 74 HH21 ARG 9 HH21 ARG 9 -7.618 3.602 8.855 75 HH22 ARG 9 HH22 ARG 9 -8.962 2.505 8.798 76 H VAL 10 H VAL 10 -2.779 4.246 3.470 77 HA VAL 10 HA VAL 10 -0.234 5.314 4.215 78 HB VAL 10 HB VAL 10 -2.761 6.826 3.540 79 HG11 VAL 10 HG11 VAL 10 -1.258 8.645 2.935 80 HG12 VAL 10 HG12 VAL 10 0.131 7.668 3.410 81 HG13 VAL 10 HG13 VAL 10 -1.038 8.189 4.623 82 HG21 VAL 10 HG21 VAL 10 -0.546 5.878 1.727 83 HG22 VAL 10 HG22 VAL 10 -1.881 6.928 1.253 84 HG23 VAL 10 HG23 VAL 10 -2.202 5.268 1.757 85 H THR 11 H THR 11 0.380 5.704 6.210 86 HA THR 11 HA THR 11 -1.634 6.287 8.271 87 HB THR 11 HB THR 11 1.288 5.764 8.792 88 HG1 THR 11 HG1 THR 11 -0.598 4.022 7.802 89 HG21 THR 11 HG21 THR 11 0.424 4.878 10.921 90 HG22 THR 11 HG22 THR 11 -1.219 5.254 10.406 91 HG23 THR 11 HG23 THR 11 -0.060 6.556 10.674 92 H ASN 12 H ASN 12 0.349 7.932 6.202 93 HA ASN 12 HA ASN 12 1.540 9.871 7.881 94 HB2 ASN 12 HB2 ASN 12 2.245 9.498 5.542 95 HB3 ASN 12 HB3 ASN 12 0.706 10.152 4.987 96 HD21 ASN 12 HD21 ASN 12 3.765 10.896 6.510 97 HD22 ASN 12 HD22 ASN 12 3.689 12.612 6.253 98 H VAL 13 H VAL 13 0.532 11.257 9.125 99 HA VAL 13 HA VAL 13 -2.298 11.667 8.907 100 HB VAL 13 HB VAL 13 -0.409 13.026 10.820 101 HG11 VAL 13 HG11 VAL 13 -2.652 13.947 10.804 102 HG12 VAL 13 HG12 VAL 13 -2.350 13.076 12.308 103 HG13 VAL 13 HG13 VAL 13 -3.331 12.336 11.043 104 HG21 VAL 13 HG21 VAL 13 -0.848 11.169 12.370 105 HG22 VAL 13 HG22 VAL 13 0.020 10.649 10.925 106 HG23 VAL 13 HG23 VAL 13 -1.706 10.320 11.084 107 H ASP 14 H ASP 14 0.385 13.259 7.623 108 HA ASP 14 HA ASP 14 -0.608 15.941 7.831 109 HB2 ASP 14 HB2 ASP 14 1.753 15.726 7.702 110 HB3 ASP 14 HB3 ASP 14 1.654 14.714 6.264 111 H ASP 15 H ASP 15 -0.413 13.558 5.200 112 HA ASP 15 HA ASP 15 -1.578 15.427 3.339 113 HB2 ASP 15 HB2 ASP 15 0.148 13.674 2.723 114 HB3 ASP 15 HB3 ASP 15 -1.136 12.477 2.874 115 H THR 16 H THR 16 -3.476 14.881 2.057 116 HA THR 16 HA THR 16 -5.758 14.512 3.612 117 HB THR 16 HB THR 16 -6.684 14.162 1.150 118 HG1 THR 16 HG1 THR 16 -4.195 14.133 0.623 119 HG21 THR 16 HG21 THR 16 -7.137 16.105 2.569 120 HG22 THR 16 HG22 THR 16 -6.790 16.598 0.912 121 HG23 THR 16 HG23 THR 16 -5.555 16.769 2.160 122 H TYR 17 H TYR 17 -3.817 12.247 1.766 123 HA TYR 17 HA TYR 17 -5.901 10.264 1.644 124 HD1 TYR 17 HD1 TYR 17 -6.092 8.977 -0.782 125 HD2 TYR 17 HD2 TYR 17 -3.083 11.982 -0.788 126 HE1 TYR 17 HE1 TYR 17 -6.934 9.805 -2.938 127 HE2 TYR 17 HE2 TYR 17 -3.915 12.820 -2.944 128 HH TYR 17 HH TYR 17 -6.923 11.869 -4.246 129 HB2 TYR 17 HB2 TYR 17 -3.005 10.237 0.817 130 HB3 TYR 17 HB3 TYR 17 -4.051 8.828 0.667 131 H TYR 18 H TYR 18 -4.815 11.194 4.278 132 HA TYR 18 HA TYR 18 -3.620 8.987 5.568 133 HD1 TYR 18 HD2 TYR 18 -2.746 8.973 8.007 134 HD2 TYR 18 HD1 TYR 18 -6.546 10.820 8.499 135 HE1 TYR 18 HE2 TYR 18 -2.926 7.991 10.254 136 HE2 TYR 18 HE1 TYR 18 -6.738 9.839 10.747 137 HH TYR 18 HH TYR 18 -4.157 8.517 12.411 138 HB2 TYR 18 HB2 TYR 18 -3.615 11.128 6.657 139 HB3 TYR 18 HB3 TYR 18 -5.367 11.241 6.578 140 H ARG 19 H ARG 19 -4.432 7.091 6.157 141 HA ARG 19 HA ARG 19 -5.856 5.401 6.653 142 HE ARG 19 HE ARG 19 -9.067 8.529 8.148 143 HB2 ARG 19 HB2 ARG 19 -7.927 7.586 6.755 144 HB3 ARG 19 HB3 ARG 19 -8.310 5.892 7.033 145 HG2 ARG 19 HG2 ARG 19 -6.647 5.896 8.887 146 HG3 ARG 19 HG3 ARG 19 -6.475 7.636 8.655 147 HD2 ARG 19 HD2 ARG 19 -9.035 6.196 9.341 148 HD3 ARG 19 HD3 ARG 19 -8.027 7.099 10.471 149 HH11 ARG 19 HH11 ARG 19 -9.191 7.905 11.587 150 HH12 ARG 19 HH12 ARG 19 -10.233 9.260 11.923 151 HH21 ARG 19 HH21 ARG 19 -10.383 10.332 8.588 152 HH22 ARG 19 HH22 ARG 19 -10.882 10.659 10.224 153 H PHE 20 H PHE 20 -5.290 6.413 3.887 154 HA PHE 20 HA PHE 20 -7.489 4.996 2.548 155 HD1 PHE 20 HD1 PHE 20 -6.947 8.236 3.290 156 HD2 PHE 20 HD2 PHE 20 -8.152 6.837 -0.543 157 HE1 PHE 20 HE1 PHE 20 -8.724 9.936 3.232 158 HE2 PHE 20 HE2 PHE 20 -9.932 8.532 -0.605 159 HZ PHE 20 HZ PHE 20 -10.220 10.086 1.283 160 HB2 PHE 20 HB2 PHE 20 -5.396 6.899 1.521 161 HB3 PHE 20 HB3 PHE 20 -6.334 5.884 0.448 162 H GLU 21 H GLU 21 -6.980 3.336 1.068 163 HA GLU 21 HA GLU 21 -4.408 2.016 1.611 164 HB2 GLU 21 HB2 GLU 21 -6.975 0.881 0.472 165 HB3 GLU 21 HB3 GLU 21 -5.477 -0.021 0.619 166 HG2 GLU 21 HG2 GLU 21 -6.701 -0.705 2.453 167 HG3 GLU 21 HG3 GLU 21 -5.628 0.521 3.123 168 H GLY 22 H GLY 22 -3.042 1.439 -0.054 169 HA2 GLY 22 HA2 GLY 22 -3.856 2.107 -2.790 170 HA3 GLY 22 HA3 GLY 22 -2.455 2.931 -2.123 171 H LEU 23 H LEU 23 -2.070 1.526 -4.370 172 HA LEU 23 HA LEU 23 -0.924 -1.047 -3.502 173 HG LEU 23 HG LEU 23 0.059 -1.983 -6.217 174 HB2 LEU 23 HB2 LEU 23 -2.673 -1.099 -5.284 175 HB3 LEU 23 HB3 LEU 23 -1.615 -0.139 -6.299 176 HD11 LEU 23 HD11 LEU 23 -0.653 -2.983 -4.110 177 HD12 LEU 23 HD12 LEU 23 -0.648 -4.169 -5.415 178 HD13 LEU 23 HD13 LEU 23 -2.172 -3.478 -4.854 179 HD21 LEU 23 HD21 LEU 23 -1.509 -1.764 -8.085 180 HD22 LEU 23 HD22 LEU 23 -2.672 -2.772 -7.223 181 HD23 LEU 23 HD23 LEU 23 -1.131 -3.454 -7.747 182 H VAL 24 H VAL 24 1.222 -1.154 -3.351 183 HA VAL 24 HA VAL 24 2.926 0.987 -4.146 184 HB VAL 24 HB VAL 24 3.707 -1.839 -3.409 185 HG11 VAL 24 HG11 VAL 24 5.497 -0.642 -4.521 186 HG12 VAL 24 HG12 VAL 24 5.865 -0.818 -2.805 187 HG13 VAL 24 HG13 VAL 24 5.291 0.728 -3.430 188 HG21 VAL 24 HG21 VAL 24 2.361 -0.788 -1.655 189 HG22 VAL 24 HG22 VAL 24 3.448 0.600 -1.649 190 HG23 VAL 24 HG23 VAL 24 4.039 -0.984 -1.149 191 H GLN 25 H GLN 25 3.494 1.452 -6.154 192 HA GLN 25 HA GLN 25 3.313 -0.554 -8.244 193 HB2 GLN 25 HB2 GLN 25 4.084 2.361 -8.262 194 HB3 GLN 25 HB3 GLN 25 4.131 1.355 -9.700 195 HG2 GLN 25 HG2 GLN 25 1.682 1.885 -8.036 196 HG3 GLN 25 HG3 GLN 25 2.085 2.695 -9.548 197 HE21 GLN 25 HE21 GLN 25 0.978 -0.249 -8.078 198 HE22 GLN 25 HE22 GLN 25 0.455 -1.020 -9.537 199 H ARG 26 H ARG 26 5.777 1.075 -6.412 200 HA ARG 26 HA ARG 26 7.672 -0.940 -6.882 201 HE ARG 26 HE ARG 26 6.932 1.832 -10.159 202 HB2 ARG 26 HB2 ARG 26 9.310 0.101 -8.209 203 HB3 ARG 26 HB3 ARG 26 7.810 0.407 -9.067 204 HG2 ARG 26 HG2 ARG 26 9.078 2.409 -7.213 205 HG3 ARG 26 HG3 ARG 26 9.434 2.320 -8.938 206 HD2 ARG 26 HD2 ARG 26 6.698 2.742 -7.750 207 HD3 ARG 26 HD3 ARG 26 7.739 4.021 -8.370 208 HH11 ARG 26 HH11 ARG 26 6.860 5.224 -9.279 209 HH12 ARG 26 HH12 ARG 26 6.124 5.730 -10.765 210 HH21 ARG 26 HH21 ARG 26 5.963 2.484 -12.108 211 HH22 ARG 26 HH22 ARG 26 5.583 4.164 -12.378 212 H VAL 27 H VAL 27 9.321 -0.804 -5.439 213 HA VAL 27 HA VAL 27 8.961 1.223 -3.356 214 HB VAL 27 HB VAL 27 10.555 -1.342 -3.186 215 HG11 VAL 27 HG11 VAL 27 9.515 0.510 -1.045 216 HG12 VAL 27 HG12 VAL 27 11.199 0.331 -1.543 217 HG13 VAL 27 HG13 VAL 27 10.358 -1.013 -0.768 218 HG21 VAL 27 HG21 VAL 27 8.649 -2.300 -2.001 219 HG22 VAL 27 HG22 VAL 27 8.209 -1.845 -3.648 220 HG23 VAL 27 HG23 VAL 27 7.721 -0.829 -2.291 221 H SER 28 H SER 28 10.511 2.622 -2.815 222 HA SER 28 HA SER 28 13.012 2.565 -4.364 223 HG SER 28 HG SER 28 13.278 5.371 -5.129 224 HB2 SER 28 HB2 SER 28 11.436 4.581 -4.508 225 HB3 SER 28 HB3 SER 28 11.861 4.912 -2.831 226 H ASP 29 H ASP 29 14.700 3.992 -2.847 227 HA ASP 29 HA ASP 29 15.188 2.176 -0.668 228 HB2 ASP 29 HB2 ASP 29 16.938 3.170 -2.322 229 HB3 ASP 29 HB3 ASP 29 16.902 4.566 -1.246 230 H GLY 30 H GLY 30 13.333 2.803 0.530 231 HA2 GLY 30 HA2 GLY 30 12.969 3.722 2.734 232 HA3 GLY 30 HA3 GLY 30 13.863 5.152 2.233 233 H LYS 31 H LYS 31 11.941 4.188 -0.263 234 HA LYS 31 HA LYS 31 9.629 5.778 0.561 235 HB2 LYS 31 HB2 LYS 31 11.572 7.078 -0.663 236 HB3 LYS 31 HB3 LYS 31 10.919 6.303 -2.096 237 HG2 LYS 31 HG2 LYS 31 8.841 7.401 -1.854 238 HG3 LYS 31 HG3 LYS 31 9.253 7.974 -0.237 239 HD2 LYS 31 HD2 LYS 31 10.684 8.779 -2.771 240 HD3 LYS 31 HD3 LYS 31 9.433 9.732 -1.973 241 HE2 LYS 31 HE2 LYS 31 10.831 9.861 0.044 242 HE3 LYS 31 HE3 LYS 31 12.083 8.927 -0.772 243 HZ1 LYS 31 HZ1 LYS 31 12.514 11.327 -0.807 244 HZ2 LYS 31 HZ2 LYS 31 11.083 11.575 -1.683 245 HZ3 LYS 31 HZ3 LYS 31 12.351 10.688 -2.369 246 H ALA 32 H ALA 32 7.960 5.672 -1.348 247 HA ALA 32 HA ALA 32 8.157 3.445 -3.145 248 HB1 ALA 32 HB1 ALA 32 6.372 2.084 -2.190 249 HB2 ALA 32 HB2 ALA 32 6.262 3.178 -0.811 250 HB3 ALA 32 HB3 ALA 32 7.722 2.224 -1.066 251 H ALA 33 H ALA 33 6.544 3.489 -4.727 252 HA ALA 33 HA ALA 33 4.942 5.942 -4.714 253 HB1 ALA 33 HB1 ALA 33 4.640 5.542 -7.108 254 HB2 ALA 33 HB2 ALA 33 5.524 4.022 -6.971 255 HB3 ALA 33 HB3 ALA 33 6.347 5.553 -6.671 256 H VAL 34 H VAL 34 2.883 5.878 -4.184 257 HA VAL 34 HA VAL 34 1.549 3.269 -4.048 258 HB VAL 34 HB VAL 34 0.731 5.895 -2.781 259 HG11 VAL 34 HG11 VAL 34 -0.208 3.073 -2.291 260 HG12 VAL 34 HG12 VAL 34 -1.123 4.360 -3.076 261 HG13 VAL 34 HG13 VAL 34 -0.698 4.495 -1.369 262 HG21 VAL 34 HG21 VAL 34 1.614 4.975 -0.696 263 HG22 VAL 34 HG22 VAL 34 2.879 5.164 -1.912 264 HG23 VAL 34 HG23 VAL 34 2.211 3.567 -1.572 265 H LEU 35 H LEU 35 0.044 2.781 -5.488 266 HA LEU 35 HA LEU 35 -1.103 4.900 -7.144 267 HG LEU 35 HG LEU 35 -3.084 3.241 -8.651 268 HB2 LEU 35 HB2 LEU 35 -0.148 2.838 -8.178 269 HB3 LEU 35 HB3 LEU 35 -1.405 1.915 -7.389 270 HD11 LEU 35 HD11 LEU 35 -0.665 4.266 -10.114 271 HD12 LEU 35 HD12 LEU 35 -1.762 5.218 -9.112 272 HD13 LEU 35 HD13 LEU 35 -2.340 4.497 -10.615 273 HD21 LEU 35 HD21 LEU 35 -2.725 2.079 -10.775 274 HD22 LEU 35 HD22 LEU 35 -2.424 1.028 -9.391 275 HD23 LEU 35 HD23 LEU 35 -1.070 1.719 -10.286 276 H PHE 36 H PHE 36 -2.978 5.728 -6.606 277 HA PHE 36 HA PHE 36 -4.869 4.162 -5.015 278 HD1 PHE 36 HD2 PHE 36 -5.247 5.422 -2.548 279 HD2 PHE 36 HD1 PHE 36 -2.981 7.983 -5.086 280 HE1 PHE 36 HE2 PHE 36 -3.797 6.011 -0.652 281 HE2 PHE 36 HE1 PHE 36 -1.527 8.575 -3.190 282 HZ PHE 36 HZ PHE 36 -1.935 7.591 -0.971 283 HB2 PHE 36 HB2 PHE 36 -5.016 7.066 -5.850 284 HB3 PHE 36 HB3 PHE 36 -6.118 6.252 -4.749 285 H GLU 37 H GLU 37 -6.855 3.571 -5.811 286 HA GLU 37 HA GLU 37 -7.380 4.072 -8.639 287 HB2 GLU 37 HB2 GLU 37 -5.882 2.031 -8.334 288 HB3 GLU 37 HB3 GLU 37 -7.241 1.264 -7.530 289 HG2 GLU 37 HG2 GLU 37 -7.448 2.350 -10.317 290 HG3 GLU 37 HG3 GLU 37 -6.847 0.728 -9.981 291 H ASN 38 H ASN 38 -9.414 4.712 -8.708 292 HA ASN 38 HA ASN 38 -11.399 3.266 -7.118 293 HB2 ASN 38 HB2 ASN 38 -10.865 5.242 -5.806 294 HB3 ASN 38 HB3 ASN 38 -11.124 6.277 -7.206 295 HD21 ASN 38 HD21 ASN 38 -12.709 4.089 -4.958 296 HD22 ASN 38 HD22 ASN 38 -14.287 4.777 -5.123 297 H GLY 39 H GLY 39 -12.068 2.262 -8.998 298 HA2 GLY 39 HA2 GLY 39 -13.683 1.997 -10.610 299 HA3 GLY 39 HA3 GLY 39 -14.177 3.659 -10.324 300 H ASN 40 H ASN 40 -13.233 5.321 -11.523 301 HA ASN 40 HA ASN 40 -11.834 4.399 -13.948 302 HB2 ASN 40 HB2 ASN 40 -14.245 5.345 -14.098 303 HB3 ASN 40 HB3 ASN 40 -13.499 6.907 -13.787 304 HD21 ASN 40 HD21 ASN 40 -13.731 4.234 -15.994 305 HD22 ASN 40 HD22 ASN 40 -13.098 5.058 -17.384 306 H TRP 41 H TRP 41 -11.692 6.323 -11.170 307 HA TRP 41 HA TRP 41 -9.692 8.151 -12.256 308 HD1 TRP 41 HD1 TRP 41 -9.360 11.097 -11.075 309 HE1 TRP 41 HE1 TRP 41 -7.687 11.972 -9.321 310 HE3 TRP 41 HE3 TRP 41 -9.766 7.348 -7.613 311 HZ2 TRP 41 HZ2 TRP 41 -6.686 11.180 -6.809 312 HZ3 TRP 41 HZ3 TRP 41 -8.416 7.488 -5.563 313 HH2 TRP 41 HH2 TRP 41 -6.906 9.366 -5.172 314 HB2 TRP 41 HB2 TRP 41 -11.310 9.235 -10.894 315 HB3 TRP 41 HB3 TRP 41 -11.164 8.033 -9.621 316 H ASP 42 H ASP 42 -7.618 8.231 -11.573 317 HA ASP 42 HA ASP 42 -6.674 6.394 -9.527 318 HB2 ASP 42 HB2 ASP 42 -5.052 5.279 -10.867 319 HB3 ASP 42 HB3 ASP 42 -6.574 5.145 -11.731 320 H LYS 43 H LYS 43 -4.488 6.846 -8.877 321 HA LYS 43 HA LYS 43 -3.131 9.152 -9.934 322 HB2 LYS 43 HB2 LYS 43 -4.773 10.288 -8.529 323 HB3 LYS 43 HB3 LYS 43 -4.336 9.276 -7.160 324 HG2 LYS 43 HG2 LYS 43 -2.029 10.225 -7.299 325 HG3 LYS 43 HG3 LYS 43 -2.637 11.355 -8.509 326 HD2 LYS 43 HD2 LYS 43 -3.850 11.093 -5.771 327 HD3 LYS 43 HD3 LYS 43 -2.519 12.195 -6.119 328 HE2 LYS 43 HE2 LYS 43 -3.913 13.273 -7.849 329 HE3 LYS 43 HE3 LYS 43 -5.248 12.212 -7.393 330 HZ1 LYS 43 HZ1 LYS 43 -5.298 14.458 -6.349 331 HZ2 LYS 43 HZ2 LYS 43 -3.892 14.047 -5.497 332 HZ3 LYS 43 HZ3 LYS 43 -5.322 13.174 -5.241 333 H LEU 44 H LEU 44 -1.000 8.905 -9.635 334 HA LEU 44 HA LEU 44 -0.108 6.852 -7.741 335 HG LEU 44 HG LEU 44 2.899 7.256 -8.377 336 HB2 LEU 44 HB2 LEU 44 0.519 6.517 -10.084 337 HB3 LEU 44 HB3 LEU 44 1.300 8.086 -10.109 338 HD11 LEU 44 HD11 LEU 44 1.603 4.601 -8.971 339 HD12 LEU 44 HD12 LEU 44 1.494 5.487 -7.449 340 HD13 LEU 44 HD13 LEU 44 3.048 4.854 -7.994 341 HD21 LEU 44 HD21 LEU 44 2.777 5.676 -10.944 342 HD22 LEU 44 HD22 LEU 44 4.202 5.886 -9.927 343 HD23 LEU 44 HD23 LEU 44 3.490 7.276 -10.745 344 H VAL 45 H VAL 45 0.445 7.693 -5.832 345 HA VAL 45 HA VAL 45 2.049 10.173 -5.817 346 HB VAL 45 HB VAL 45 0.202 9.249 -3.603 347 HG11 VAL 45 HG11 VAL 45 1.764 11.808 -3.964 348 HG12 VAL 45 HG12 VAL 45 2.125 10.522 -2.813 349 HG13 VAL 45 HG13 VAL 45 0.644 11.464 -2.645 350 HG21 VAL 45 HG21 VAL 45 -1.118 9.970 -5.499 351 HG22 VAL 45 HG22 VAL 45 -0.171 11.452 -5.630 352 HG23 VAL 45 HG23 VAL 45 -1.194 11.180 -4.220 353 H THR 46 H THR 46 4.044 9.905 -5.081 354 HA THR 46 HA THR 46 4.844 7.428 -3.862 355 HB THR 46 HB THR 46 6.565 9.869 -4.130 356 HG1 THR 46 HG1 THR 46 6.633 8.061 -6.223 357 HG21 THR 46 HG21 THR 46 8.336 8.207 -4.484 358 HG22 THR 46 HG22 THR 46 7.147 6.915 -4.309 359 HG23 THR 46 HG23 THR 46 7.515 7.966 -2.941 360 H PHE 47 H PHE 47 5.168 7.055 -1.791 361 HA PHE 47 HA PHE 47 5.328 9.287 0.115 362 HD1 PHE 47 HD1 PHE 47 3.321 10.232 1.609 363 HD2 PHE 47 HD2 PHE 47 1.812 7.077 -0.815 364 HE1 PHE 47 HE1 PHE 47 1.282 11.541 1.180 365 HE2 PHE 47 HE2 PHE 47 -0.226 8.380 -1.247 366 HZ PHE 47 HZ PHE 47 -0.494 10.614 -0.250 367 HB2 PHE 47 HB2 PHE 47 3.733 6.737 0.440 368 HB3 PHE 47 HB3 PHE 47 4.128 7.810 1.773 369 H ARG 48 H ARG 48 6.086 8.191 2.344 370 HA ARG 48 HA ARG 48 8.477 6.684 1.599 371 HE ARG 48 HE ARG 48 8.090 10.424 4.536 372 HB2 ARG 48 HB2 ARG 48 7.818 8.234 4.106 373 HB3 ARG 48 HB3 ARG 48 9.275 7.276 3.898 374 HG2 ARG 48 HG2 ARG 48 9.992 9.412 3.400 375 HG3 ARG 48 HG3 ARG 48 9.669 8.731 1.805 376 HD2 ARG 48 HD2 ARG 48 8.762 10.949 1.875 377 HD3 ARG 48 HD3 ARG 48 7.418 9.807 1.878 378 HH11 ARG 48 HH11 ARG 48 6.614 11.897 1.713 379 HH12 ARG 48 HH12 ARG 48 5.702 13.044 2.643 380 HH21 ARG 48 HH21 ARG 48 6.871 11.911 5.760 381 HH22 ARG 48 HH22 ARG 48 5.845 13.059 4.952 382 H LEU 49 H LEU 49 9.190 5.276 3.672 383 HA LEU 49 HA LEU 49 7.249 3.148 3.618 384 HG LEU 49 HG LEU 49 10.325 3.447 2.626 385 HB2 LEU 49 HB2 LEU 49 9.928 3.274 5.010 386 HB3 LEU 49 HB3 LEU 49 8.959 1.831 4.779 387 HD11 LEU 49 HD11 LEU 49 11.607 1.392 2.284 388 HD12 LEU 49 HD12 LEU 49 10.763 0.643 3.640 389 HD13 LEU 49 HD13 LEU 49 11.818 2.029 3.915 390 HD21 LEU 49 HD21 LEU 49 8.593 0.991 2.355 391 HD22 LEU 49 HD22 LEU 49 9.485 1.784 1.056 392 HD23 LEU 49 HD23 LEU 49 8.152 2.622 1.850 393 H SER 50 H SER 50 8.351 5.565 5.832 394 HA SER 50 HA SER 50 7.018 4.511 8.137 395 HG SER 50 HG SER 50 7.741 7.878 6.807 396 HB2 SER 50 HB2 SER 50 7.339 7.016 8.862 397 HB3 SER 50 HB3 SER 50 8.756 5.979 8.683 398 H GLU 51 H GLU 51 6.091 6.109 5.315 399 HA GLU 51 HA GLU 51 3.728 7.377 6.432 400 HB2 GLU 51 HB2 GLU 51 5.012 7.248 3.731 401 HB3 GLU 51 HB3 GLU 51 3.330 7.736 3.857 402 HG2 GLU 51 HG2 GLU 51 5.218 9.517 3.848 403 HG3 GLU 51 HG3 GLU 51 3.825 9.697 4.912 404 H LEU 52 H LEU 52 4.594 4.355 5.172 405 HA LEU 52 HA LEU 52 1.792 3.698 4.567 406 HG LEU 52 HG LEU 52 3.836 4.898 2.530 407 HB2 LEU 52 HB2 LEU 52 4.283 2.563 3.302 408 HB3 LEU 52 HB3 LEU 52 2.633 2.159 2.888 409 HD11 LEU 52 HD11 LEU 52 4.946 3.236 1.112 410 HD12 LEU 52 HD12 LEU 52 3.965 4.355 0.166 411 HD13 LEU 52 HD13 LEU 52 3.375 2.726 0.493 412 HD21 LEU 52 HD21 LEU 52 1.402 4.878 2.796 413 HD22 LEU 52 HD22 LEU 52 1.272 3.679 1.508 414 HD23 LEU 52 HD23 LEU 52 1.867 5.299 1.147 415 H GLU 53 H GLU 53 0.990 2.213 5.967 416 HA GLU 53 HA GLU 53 2.852 0.434 7.320 417 HB2 GLU 53 HB2 GLU 53 0.931 -0.362 8.604 418 HB3 GLU 53 HB3 GLU 53 1.033 1.390 8.658 419 HG2 GLU 53 HG2 GLU 53 -0.780 1.609 7.120 420 HG3 GLU 53 HG3 GLU 53 -0.806 -0.131 6.828 421 H ALA 54 H ALA 54 3.448 -1.397 6.440 422 HA ALA 54 HA ALA 54 2.134 -2.438 4.116 423 HB1 ALA 54 HB1 ALA 54 4.563 -2.587 4.375 424 HB2 ALA 54 HB2 ALA 54 3.843 -4.183 4.178 425 HB3 ALA 54 HB3 ALA 54 4.356 -3.637 5.775 426 H VAL 55 H VAL 55 0.234 -3.370 4.341 427 HA VAL 55 HA VAL 55 -0.586 -4.663 6.755 428 HB VAL 55 HB VAL 55 -2.065 -5.014 4.177 429 HG11 VAL 55 HG11 VAL 55 -4.028 -4.749 5.646 430 HG12 VAL 55 HG12 VAL 55 -2.941 -4.560 7.022 431 HG13 VAL 55 HG13 VAL 55 -2.978 -6.081 6.130 432 HG21 VAL 55 HG21 VAL 55 -2.051 -2.456 5.780 433 HG22 VAL 55 HG22 VAL 55 -3.125 -2.825 4.430 434 HG23 VAL 55 HG23 VAL 55 -1.391 -2.666 4.159 435 H LYS 56 H LYS 56 -1.598 -6.885 6.598 436 HA LYS 56 HA LYS 56 0.400 -8.736 5.703 437 HB2 LYS 56 HB2 LYS 56 -1.137 -10.420 6.725 438 HB3 LYS 56 HB3 LYS 56 -0.669 -9.138 7.830 439 HG2 LYS 56 HG2 LYS 56 -2.838 -8.006 7.254 440 HG3 LYS 56 HG3 LYS 56 -3.293 -9.485 6.410 441 HD2 LYS 56 HD2 LYS 56 -3.040 -10.755 8.482 442 HD3 LYS 56 HD3 LYS 56 -2.560 -9.283 9.331 443 HE2 LYS 56 HE2 LYS 56 -4.768 -8.299 8.687 444 HE3 LYS 56 HE3 LYS 56 -5.233 -9.887 8.080 445 HZ1 LYS 56 HZ1 LYS 56 -4.870 -10.777 10.311 446 HZ2 LYS 56 HZ2 LYS 56 -6.048 -9.560 10.307 447 HZ3 LYS 56 HZ3 LYS 56 -4.491 -9.227 10.881 448 HA PRO 57 HA PRO 57 -1.327 -9.695 1.763 449 HB2 PRO 57 HB2 PRO 57 -0.754 -12.359 1.583 450 HB3 PRO 57 HB3 PRO 57 0.441 -11.080 1.346 451 HG2 PRO 57 HG2 PRO 57 -0.089 -12.749 3.770 452 HG3 PRO 57 HG3 PRO 57 1.463 -12.256 3.066 453 HD2 PRO 57 HD2 PRO 57 0.412 -11.023 5.223 454 HD3 PRO 57 HD3 PRO 57 1.360 -10.144 4.005 455 H ILE 58 H ILE 58 -2.967 -10.967 0.699 456 HA ILE 58 HA ILE 58 -5.259 -11.476 2.274 457 HB ILE 58 HB ILE 58 -4.837 -12.571 -0.508 458 HG12 ILE 58 HG12 ILE 58 -4.083 -10.237 -0.538 459 HG13 ILE 58 HG13 ILE 58 -5.604 -10.409 -1.404 460 HG21 ILE 58 HG21 ILE 58 -6.903 -13.222 0.595 461 HG22 ILE 58 HG22 ILE 58 -7.241 -12.113 -0.734 462 HG23 ILE 58 HG23 ILE 58 -7.279 -11.531 0.931 463 HD11 ILE 58 HD11 ILE 58 -5.581 -8.394 -0.058 464 HD12 ILE 58 HD12 ILE 58 -5.273 -9.350 1.392 465 HD13 ILE 58 HD13 ILE 58 -6.802 -9.523 0.530 466 H LEU 59 H LEU 59 -6.392 -13.720 2.170 467 HA LEU 59 HA LEU 59 -4.628 -15.469 3.550 468 HG LEU 59 HG LEU 59 -7.262 -14.161 4.471 469 HB2 LEU 59 HB2 LEU 59 -7.493 -15.823 2.704 470 HB3 LEU 59 HB3 LEU 59 -6.610 -16.996 3.662 471 HD11 LEU 59 HD11 LEU 59 -8.278 -16.820 5.460 472 HD12 LEU 59 HD12 LEU 59 -9.186 -15.635 4.523 473 HD13 LEU 59 HD13 LEU 59 -8.663 -15.250 6.162 474 HD21 LEU 59 HD21 LEU 59 -5.800 -16.329 5.977 475 HD22 LEU 59 HD22 LEU 59 -6.307 -14.777 6.643 476 HD23 LEU 59 HD23 LEU 59 -5.098 -14.831 5.360 477 H GLU 60 H GLU 60 -3.124 -15.695 1.690 478 HA GLU 60 HA GLU 60 -3.865 -17.918 -0.043 479 HB2 GLU 60 HB2 GLU 60 -1.552 -17.685 -0.930 480 HB3 GLU 60 HB3 GLU 60 -2.482 -16.203 -1.069 481 HG2 GLU 60 HG2 GLU 60 -1.340 -15.280 0.868 482 HG3 GLU 60 HG3 GLU 60 -0.443 -16.784 1.066 483 H HIS 61 H HIS 61 -3.304 -20.004 0.390 484 HA HIS 61 HA HIS 61 -2.465 -20.474 3.112 485 HD1 HIS 61 HD1 HIS 61 -4.209 -21.796 4.622 486 HD2 HIS 61 HD2 HIS 61 -6.064 -21.589 0.903 487 HE1 HIS 61 HE1 HIS 61 -6.625 -21.298 5.100 488 HE2 HIS 61 HE2 HIS 61 -7.652 -20.900 2.833 489 HB2 HIS 61 HB2 HIS 61 -3.439 -22.317 0.939 490 HB3 HIS 61 HB3 HIS 61 -2.883 -22.905 2.507 491 H HIS 62 H HIS 62 -0.386 -19.425 2.443 492 HA HIS 62 HA HIS 62 1.574 -21.366 1.463 493 HD1 HIS 62 HD1 HIS 62 2.764 -20.688 -0.712 494 HD2 HIS 62 HD2 HIS 62 4.913 -18.496 2.100 495 HE1 HIS 62 HE1 HIS 62 5.156 -20.749 -1.487 496 HE2 HIS 62 HE2 HIS 62 6.359 -19.168 0.060 497 HB2 HIS 62 HB2 HIS 62 1.423 -18.775 0.911 498 HB3 HIS 62 HB3 HIS 62 2.252 -18.612 2.453 499 H HIS 63 H HIS 63 3.584 -21.608 2.887 500 HA HIS 63 HA HIS 63 4.537 -22.268 4.845 501 HD1 HIS 63 HD1 HIS 63 5.653 -20.352 7.618 502 HD2 HIS 63 HD2 HIS 63 3.802 -18.546 4.364 503 HE1 HIS 63 HE1 HIS 63 7.028 -18.311 7.107 504 HE2 HIS 63 HE2 HIS 63 5.772 -17.119 5.276 505 HB2 HIS 63 HB2 HIS 63 2.408 -20.514 6.072 506 HB3 HIS 63 HB3 HIS 63 3.528 -21.452 7.049 507 H HIS 64 H HIS 64 4.347 -24.386 5.070 508 HA HIS 64 HA HIS 64 1.725 -25.614 5.140 509 HD1 HIS 64 HD1 HIS 64 1.764 -28.030 2.943 510 HD2 HIS 64 HD2 HIS 64 3.192 -29.107 6.700 511 HE1 HIS 64 HE1 HIS 64 0.742 -30.275 3.443 512 HE2 HIS 64 HE2 HIS 64 1.539 -30.866 5.762 513 HB2 HIS 64 HB2 HIS 64 3.622 -26.527 3.772 514 HB3 HIS 64 HB3 HIS 64 4.433 -26.964 5.273 515 H HIS 65 H HIS 65 4.477 -25.165 7.274 516 HA HIS 65 HA HIS 65 4.797 -25.465 9.500 517 HD1 HIS 65 HD1 HIS 65 1.565 -27.395 11.617 518 HD2 HIS 65 HD2 HIS 65 4.076 -24.147 12.282 519 HE1 HIS 65 HE1 HIS 65 1.983 -27.355 14.097 520 HE2 HIS 65 HE2 HIS 65 3.335 -25.265 14.492 521 HB2 HIS 65 HB2 HIS 65 2.622 -24.362 9.823 522 HB3 HIS 65 HB3 HIS 65 1.800 -25.901 9.603 523 H HIS 66 H HIS 66 5.506 -27.145 10.715 524 HA HIS 66 HA HIS 66 4.870 -29.833 9.734 525 HD1 HIS 66 HD1 HIS 66 7.591 -31.289 8.856 526 HD2 HIS 66 HD2 HIS 66 8.168 -27.238 9.612 527 HE1 HIS 66 HE1 HIS 66 9.132 -30.477 7.049 528 HE2 HIS 66 HE2 HIS 66 9.286 -27.988 7.400 529 HB2 HIS 66 HB2 HIS 66 7.031 -28.855 11.614 530 HB3 HIS 66 HB3 HIS 66 6.791 -30.540 11.174 Start of MODEL 16 1 HA MET 1 HA MET 1 11.046 -3.800 3.169 2 H1 MET 1 H1 MET 1 9.737 -4.302 5.769 3 H2 MET 1 H2 MET 1 10.276 -2.818 5.147 4 H3 MET 1 H3 MET 1 11.397 -4.017 5.565 5 HB2 MET 1 HB2 MET 1 10.780 -6.219 2.735 6 HB3 MET 1 HB3 MET 1 11.907 -5.882 4.037 7 HG2 MET 1 HG2 MET 1 9.043 -6.646 4.518 8 HG3 MET 1 HG3 MET 1 10.343 -7.826 4.367 9 HE1 MET 1 HE1 MET 1 9.702 -8.810 6.773 10 HE2 MET 1 HE2 MET 1 8.403 -7.623 6.877 11 HE3 MET 1 HE3 MET 1 9.538 -7.805 8.214 12 H ILE 2 H ILE 2 9.641 -3.075 1.773 13 HA ILE 2 HA ILE 2 6.924 -4.225 1.778 14 HB ILE 2 HB ILE 2 7.635 -1.397 0.966 15 HG12 ILE 2 HG12 ILE 2 6.095 -2.398 3.375 16 HG13 ILE 2 HG13 ILE 2 7.715 -1.712 3.412 17 HG21 ILE 2 HG21 ILE 2 4.968 -2.793 1.128 18 HG22 ILE 2 HG22 ILE 2 5.810 -2.326 -0.349 19 HG23 ILE 2 HG23 ILE 2 5.208 -1.086 0.756 20 HD11 ILE 2 HD11 ILE 2 6.820 0.424 2.620 21 HD12 ILE 2 HD12 ILE 2 6.071 -0.087 4.133 22 HD13 ILE 2 HD13 ILE 2 5.196 -0.264 2.613 23 H PHE 3 H PHE 3 6.124 -4.766 -0.276 24 HA PHE 3 HA PHE 3 8.095 -4.582 -2.460 25 HD1 PHE 3 HD1 PHE 3 9.946 -6.726 -2.912 26 HD2 PHE 3 HD2 PHE 3 7.457 -7.398 0.475 27 HE1 PHE 3 HE1 PHE 3 11.908 -7.447 -1.616 28 HE2 PHE 3 HE2 PHE 3 9.417 -8.117 1.777 29 HZ PHE 3 HZ PHE 3 11.646 -8.143 0.731 30 HB2 PHE 3 HB2 PHE 3 6.496 -7.027 -1.668 31 HB3 PHE 3 HB3 PHE 3 7.497 -6.902 -3.115 32 HA PRO 4 HA PRO 4 4.850 -3.028 -5.006 33 HB2 PRO 4 HB2 PRO 4 6.042 -4.629 -7.194 34 HB3 PRO 4 HB3 PRO 4 5.773 -2.886 -7.094 35 HG2 PRO 4 HG2 PRO 4 8.227 -3.911 -6.876 36 HG3 PRO 4 HG3 PRO 4 7.721 -2.521 -5.898 37 HD2 PRO 4 HD2 PRO 4 7.981 -5.400 -5.113 38 HD3 PRO 4 HD3 PRO 4 8.411 -3.938 -4.199 39 H GLY 5 H GLY 5 2.860 -3.628 -5.728 40 HA2 GLY 5 HA2 GLY 5 1.221 -5.113 -6.549 41 HA3 GLY 5 HA3 GLY 5 2.322 -6.454 -6.262 42 H ALA 6 H ALA 6 2.348 -4.489 -3.594 43 HA ALA 6 HA ALA 6 0.288 -6.113 -2.260 44 HB1 ALA 6 HB1 ALA 6 2.717 -4.800 -1.035 45 HB2 ALA 6 HB2 ALA 6 2.565 -6.512 -1.427 46 HB3 ALA 6 HB3 ALA 6 1.534 -5.796 -0.188 47 H THR 7 H THR 7 -0.935 -5.053 -0.564 48 HA THR 7 HA THR 7 -1.562 -2.307 -1.293 49 HB THR 7 HB THR 7 -2.994 -4.004 0.746 50 HG1 THR 7 HG1 THR 7 -4.124 -4.928 -0.861 51 HG21 THR 7 HG21 THR 7 -3.908 -1.707 -0.988 52 HG22 THR 7 HG22 THR 7 -3.531 -1.612 0.733 53 HG23 THR 7 HG23 THR 7 -4.900 -2.578 0.180 54 H VAL 8 H VAL 8 -1.028 -0.605 -0.095 55 HA VAL 8 HA VAL 8 -0.150 -1.047 2.679 56 HB VAL 8 HB VAL 8 1.341 0.964 2.389 57 HG11 VAL 8 HG11 VAL 8 1.999 -1.456 0.713 58 HG12 VAL 8 HG12 VAL 8 2.213 -1.319 2.457 59 HG13 VAL 8 HG13 VAL 8 3.159 -0.300 1.374 60 HG21 VAL 8 HG21 VAL 8 2.064 1.522 0.105 61 HG22 VAL 8 HG22 VAL 8 0.357 1.890 0.369 62 HG23 VAL 8 HG23 VAL 8 0.820 0.448 -0.538 63 H ARG 9 H ARG 9 -0.804 0.432 4.185 64 HA ARG 9 HA ARG 9 -2.987 2.184 3.305 65 HE ARG 9 HE ARG 9 -3.575 0.807 8.069 66 HB2 ARG 9 HB2 ARG 9 -3.619 0.499 4.935 67 HB3 ARG 9 HB3 ARG 9 -2.339 1.020 6.020 68 HG2 ARG 9 HG2 ARG 9 -3.455 2.977 6.596 69 HG3 ARG 9 HG3 ARG 9 -4.520 2.897 5.188 70 HD2 ARG 9 HD2 ARG 9 -5.599 2.293 7.372 71 HD3 ARG 9 HD3 ARG 9 -5.739 1.075 6.108 72 HH11 ARG 9 HH11 ARG 9 -6.690 -0.275 6.860 73 HH12 ARG 9 HH12 ARG 9 -6.607 -1.814 7.667 74 HH21 ARG 9 HH21 ARG 9 -3.486 -1.223 9.139 75 HH22 ARG 9 HH22 ARG 9 -4.803 -2.340 8.967 76 H VAL 10 H VAL 10 -2.752 4.290 3.347 77 HA VAL 10 HA VAL 10 -0.285 5.516 3.930 78 HB VAL 10 HB VAL 10 -3.003 6.818 3.623 79 HG11 VAL 10 HG11 VAL 10 -0.239 7.993 3.340 80 HG12 VAL 10 HG12 VAL 10 -1.361 8.296 4.667 81 HG13 VAL 10 HG13 VAL 10 -1.760 8.831 3.034 82 HG21 VAL 10 HG21 VAL 10 -2.329 7.178 1.287 83 HG22 VAL 10 HG22 VAL 10 -2.433 5.464 1.683 84 HG23 VAL 10 HG23 VAL 10 -0.858 6.247 1.575 85 H THR 11 H THR 11 0.562 5.934 5.830 86 HA THR 11 HA THR 11 -1.227 6.141 8.150 87 HB THR 11 HB THR 11 1.736 5.564 8.250 88 HG1 THR 11 HG1 THR 11 0.171 4.050 6.975 89 HG21 THR 11 HG21 THR 11 0.687 6.185 10.372 90 HG22 THR 11 HG22 THR 11 1.136 4.478 10.378 91 HG23 THR 11 HG23 THR 11 -0.546 4.948 10.136 92 H ASN 12 H ASN 12 0.087 8.156 6.083 93 HA ASN 12 HA ASN 12 1.550 10.043 7.530 94 HB2 ASN 12 HB2 ASN 12 -0.368 10.371 5.222 95 HB3 ASN 12 HB3 ASN 12 0.569 11.710 5.880 96 HD21 ASN 12 HD21 ASN 12 2.793 11.741 5.598 97 HD22 ASN 12 HD22 ASN 12 3.582 10.758 4.421 98 H VAL 13 H VAL 13 0.997 10.997 9.363 99 HA VAL 13 HA VAL 13 -1.648 10.703 10.377 100 HB VAL 13 HB VAL 13 0.327 10.523 11.814 101 HG11 VAL 13 HG11 VAL 13 0.634 13.487 11.372 102 HG12 VAL 13 HG12 VAL 13 1.742 12.224 10.836 103 HG13 VAL 13 HG13 VAL 13 1.526 12.535 12.559 104 HG21 VAL 13 HG21 VAL 13 -1.546 12.748 12.600 105 HG22 VAL 13 HG22 VAL 13 -0.504 11.855 13.708 106 HG23 VAL 13 HG23 VAL 13 -1.804 11.022 12.853 107 H ASP 14 H ASP 14 0.112 13.398 8.976 108 HA ASP 14 HA ASP 14 -2.015 15.238 9.816 109 HB2 ASP 14 HB2 ASP 14 0.310 15.870 10.354 110 HB3 ASP 14 HB3 ASP 14 0.707 15.844 8.640 111 H ASP 15 H ASP 15 -1.354 13.305 7.264 112 HA ASP 15 HA ASP 15 -2.012 15.197 5.164 113 HB2 ASP 15 HB2 ASP 15 -0.356 13.311 4.851 114 HB3 ASP 15 HB3 ASP 15 -1.723 12.200 4.899 115 H THR 16 H THR 16 -3.757 14.545 3.582 116 HA THR 16 HA THR 16 -6.204 14.258 5.106 117 HB THR 16 HB THR 16 -5.869 14.749 2.140 118 HG1 THR 16 HG1 THR 16 -4.952 16.309 3.892 119 HG21 THR 16 HG21 THR 16 -8.167 15.306 4.022 120 HG22 THR 16 HG22 THR 16 -8.120 14.036 2.795 121 HG23 THR 16 HG23 THR 16 -8.111 15.734 2.310 122 H TYR 17 H TYR 17 -4.231 12.385 2.938 123 HA TYR 17 HA TYR 17 -6.364 10.490 2.362 124 HD1 TYR 17 HD1 TYR 17 -6.380 9.758 -0.540 125 HD2 TYR 17 HD2 TYR 17 -3.651 12.820 0.582 126 HE1 TYR 17 HE1 TYR 17 -7.137 11.119 -2.441 127 HE2 TYR 17 HE2 TYR 17 -4.398 14.190 -1.318 128 HH TYR 17 HH TYR 17 -7.195 13.520 -3.078 129 HB2 TYR 17 HB2 TYR 17 -3.465 10.599 1.519 130 HB3 TYR 17 HB3 TYR 17 -4.576 9.318 1.042 131 H TYR 18 H TYR 18 -5.238 10.912 5.084 132 HA TYR 18 HA TYR 18 -3.805 8.635 5.910 133 HD1 TYR 18 HD2 TYR 18 -2.567 8.494 7.993 134 HD2 TYR 18 HD1 TYR 18 -6.426 9.487 9.475 135 HE1 TYR 18 HE2 TYR 18 -2.115 7.185 10.022 136 HE2 TYR 18 HE1 TYR 18 -5.987 8.183 11.514 137 HH TYR 18 HH TYR 18 -2.958 7.192 12.448 138 HB2 TYR 18 HB2 TYR 18 -4.053 10.665 7.283 139 HB3 TYR 18 HB3 TYR 18 -5.775 10.349 7.447 140 H ARG 19 H ARG 19 -4.413 6.619 6.435 141 HA ARG 19 HA ARG 19 -5.700 4.806 6.954 142 HE ARG 19 HE ARG 19 -8.811 8.054 7.583 143 HB2 ARG 19 HB2 ARG 19 -8.053 6.672 6.692 144 HB3 ARG 19 HB3 ARG 19 -8.188 4.970 7.106 145 HG2 ARG 19 HG2 ARG 19 -7.083 5.285 9.166 146 HG3 ARG 19 HG3 ARG 19 -6.561 6.912 8.717 147 HD2 ARG 19 HD2 ARG 19 -9.407 6.017 9.165 148 HD3 ARG 19 HD3 ARG 19 -8.442 6.995 10.270 149 HH11 ARG 19 HH11 ARG 19 -9.890 8.073 10.920 150 HH12 ARG 19 HH12 ARG 19 -10.591 9.659 10.809 151 HH21 ARG 19 HH21 ARG 19 -9.780 10.126 7.433 152 HH22 ARG 19 HH22 ARG 19 -10.568 10.803 8.834 153 H PHE 20 H PHE 20 -5.855 6.582 4.082 154 HA PHE 20 HA PHE 20 -7.490 4.771 2.595 155 HD1 PHE 20 HD1 PHE 20 -7.091 8.216 3.378 156 HD2 PHE 20 HD2 PHE 20 -8.353 6.443 -0.277 157 HE1 PHE 20 HE1 PHE 20 -9.031 9.726 3.318 158 HE2 PHE 20 HE2 PHE 20 -10.297 7.948 -0.342 159 HZ PHE 20 HZ PHE 20 -10.636 9.595 1.455 160 HB2 PHE 20 HB2 PHE 20 -5.525 6.897 1.780 161 HB3 PHE 20 HB3 PHE 20 -6.307 5.860 0.603 162 H GLU 21 H GLU 21 -6.807 3.261 1.043 163 HA GLU 21 HA GLU 21 -4.150 2.117 1.599 164 HB2 GLU 21 HB2 GLU 21 -6.741 0.690 0.963 165 HB3 GLU 21 HB3 GLU 21 -5.173 -0.097 1.094 166 HG2 GLU 21 HG2 GLU 21 -5.014 0.394 3.403 167 HG3 GLU 21 HG3 GLU 21 -6.395 1.485 3.336 168 H GLY 22 H GLY 22 -2.857 1.673 -0.093 169 HA2 GLY 22 HA2 GLY 22 -4.022 1.905 -2.791 170 HA3 GLY 22 HA3 GLY 22 -2.617 2.865 -2.354 171 H LEU 23 H LEU 23 -2.262 1.382 -4.480 172 HA LEU 23 HA LEU 23 -1.145 -1.205 -3.645 173 HG LEU 23 HG LEU 23 -0.025 -1.958 -6.399 174 HB2 LEU 23 HB2 LEU 23 -2.796 -1.182 -5.485 175 HB3 LEU 23 HB3 LEU 23 -1.734 -0.137 -6.410 176 HD11 LEU 23 HD11 LEU 23 -0.773 -4.225 -5.815 177 HD12 LEU 23 HD12 LEU 23 -2.288 -3.560 -5.205 178 HD13 LEU 23 HD13 LEU 23 -0.765 -3.153 -4.415 179 HD21 LEU 23 HD21 LEU 23 -1.536 -1.594 -8.297 180 HD22 LEU 23 HD22 LEU 23 -2.711 -2.684 -7.562 181 HD23 LEU 23 HD23 LEU 23 -1.148 -3.302 -8.090 182 H VAL 24 H VAL 24 1.000 -1.429 -3.469 183 HA VAL 24 HA VAL 24 2.818 0.673 -4.081 184 HB VAL 24 HB VAL 24 3.487 -2.234 -3.579 185 HG11 VAL 24 HG11 VAL 24 5.654 -1.350 -2.835 186 HG12 VAL 24 HG12 VAL 24 5.144 0.272 -3.306 187 HG13 VAL 24 HG13 VAL 24 5.338 -0.984 -4.530 188 HG21 VAL 24 HG21 VAL 24 2.144 -1.350 -1.752 189 HG22 VAL 24 HG22 VAL 24 3.223 0.037 -1.614 190 HG23 VAL 24 HG23 VAL 24 3.816 -1.581 -1.243 191 H GLN 25 H GLN 25 3.402 1.261 -6.031 192 HA GLN 25 HA GLN 25 3.270 -0.624 -8.244 193 HB2 GLN 25 HB2 GLN 25 3.869 2.328 -8.075 194 HB3 GLN 25 HB3 GLN 25 3.986 1.417 -9.574 195 HG2 GLN 25 HG2 GLN 25 1.491 1.614 -7.908 196 HG3 GLN 25 HG3 GLN 25 1.855 2.660 -9.281 197 HE21 GLN 25 HE21 GLN 25 0.986 -0.541 -8.263 198 HE22 GLN 25 HE22 GLN 25 0.538 -1.135 -9.825 199 H ARG 26 H ARG 26 5.643 1.060 -6.314 200 HA ARG 26 HA ARG 26 7.734 -0.669 -7.074 201 HE ARG 26 HE ARG 26 7.174 2.342 -10.601 202 HB2 ARG 26 HB2 ARG 26 9.198 0.963 -8.162 203 HB3 ARG 26 HB3 ARG 26 7.723 0.732 -9.093 204 HG2 ARG 26 HG2 ARG 26 6.818 2.809 -8.198 205 HG3 ARG 26 HG3 ARG 26 8.283 3.036 -7.239 206 HD2 ARG 26 HD2 ARG 26 8.356 4.378 -9.267 207 HD3 ARG 26 HD3 ARG 26 9.611 3.141 -9.284 208 HH11 ARG 26 HH11 ARG 26 10.281 3.930 -10.983 209 HH12 ARG 26 HH12 ARG 26 10.321 3.692 -12.709 210 HH21 ARG 26 HH21 ARG 26 7.234 2.017 -12.838 211 HH22 ARG 26 HH22 ARG 26 8.579 2.600 -13.773 212 H VAL 27 H VAL 27 9.500 -0.418 -5.778 213 HA VAL 27 HA VAL 27 9.160 1.397 -3.490 214 HB VAL 27 HB VAL 27 10.897 -1.075 -3.678 215 HG11 VAL 27 HG11 VAL 27 11.705 0.534 -2.043 216 HG12 VAL 27 HG12 VAL 27 11.043 -0.890 -1.241 217 HG13 VAL 27 HG13 VAL 27 10.108 0.602 -1.299 218 HG21 VAL 27 HG21 VAL 27 8.557 -1.690 -3.834 219 HG22 VAL 27 HG22 VAL 27 8.183 -0.723 -2.408 220 HG23 VAL 27 HG23 VAL 27 9.203 -2.154 -2.260 221 H SER 28 H SER 28 10.798 2.774 -2.892 222 HA SER 28 HA SER 28 13.159 2.860 -4.641 223 HG SER 28 HG SER 28 13.518 4.929 -5.851 224 HB2 SER 28 HB2 SER 28 11.359 4.575 -5.239 225 HB3 SER 28 HB3 SER 28 11.709 5.333 -3.688 226 H ASP 29 H ASP 29 14.274 5.119 -3.400 227 HA ASP 29 HA ASP 29 15.542 3.882 -1.178 228 HB2 ASP 29 HB2 ASP 29 15.800 6.765 -2.065 229 HB3 ASP 29 HB3 ASP 29 16.938 5.851 -1.080 230 H GLY 30 H GLY 30 13.859 3.555 0.228 231 HA2 GLY 30 HA2 GLY 30 12.945 4.048 2.310 232 HA3 GLY 30 HA3 GLY 30 13.543 5.693 2.148 233 H LYS 31 H LYS 31 11.901 4.834 -0.602 234 HA LYS 31 HA LYS 31 9.385 5.973 0.350 235 HB2 LYS 31 HB2 LYS 31 11.003 6.658 -2.100 236 HB3 LYS 31 HB3 LYS 31 9.333 7.125 -1.887 237 HG2 LYS 31 HG2 LYS 31 9.933 8.412 0.103 238 HG3 LYS 31 HG3 LYS 31 11.616 7.925 -0.104 239 HD2 LYS 31 HD2 LYS 31 10.008 9.510 -2.107 240 HD3 LYS 31 HD3 LYS 31 11.167 10.194 -0.968 241 HE2 LYS 31 HE2 LYS 31 11.802 8.160 -3.104 242 HE3 LYS 31 HE3 LYS 31 12.129 9.887 -3.217 243 HZ1 LYS 31 HZ1 LYS 31 13.335 7.972 -1.293 244 HZ2 LYS 31 HZ2 LYS 31 13.567 9.644 -1.234 245 HZ3 LYS 31 HZ3 LYS 31 14.117 8.761 -2.573 246 H ALA 32 H ALA 32 7.601 5.583 -1.221 247 HA ALA 32 HA ALA 32 7.968 3.350 -3.047 248 HB1 ALA 32 HB1 ALA 32 6.208 2.003 -2.077 249 HB2 ALA 32 HB2 ALA 32 5.948 3.202 -0.811 250 HB3 ALA 32 HB3 ALA 32 7.459 2.295 -0.868 251 H ALA 33 H ALA 33 6.467 3.338 -4.709 252 HA ALA 33 HA ALA 33 4.880 5.778 -4.916 253 HB1 ALA 33 HB1 ALA 33 5.437 3.640 -6.977 254 HB2 ALA 33 HB2 ALA 33 6.323 5.153 -6.796 255 HB3 ALA 33 HB3 ALA 33 4.625 5.179 -7.268 256 H VAL 34 H VAL 34 2.915 5.687 -4.066 257 HA VAL 34 HA VAL 34 1.483 3.138 -4.004 258 HB VAL 34 HB VAL 34 0.835 5.761 -2.640 259 HG11 VAL 34 HG11 VAL 34 -1.162 4.441 -3.007 260 HG12 VAL 34 HG12 VAL 34 -0.726 4.409 -1.300 261 HG13 VAL 34 HG13 VAL 34 -0.377 3.018 -2.322 262 HG21 VAL 34 HG21 VAL 34 2.878 4.808 -1.767 263 HG22 VAL 34 HG22 VAL 34 2.094 3.241 -1.571 264 HG23 VAL 34 HG23 VAL 34 1.577 4.612 -0.593 265 H LEU 35 H LEU 35 -0.007 2.709 -5.465 266 HA LEU 35 HA LEU 35 -1.132 4.883 -7.066 267 HG LEU 35 HG LEU 35 -3.116 3.227 -8.640 268 HB2 LEU 35 HB2 LEU 35 -0.179 2.841 -8.154 269 HB3 LEU 35 HB3 LEU 35 -1.450 1.908 -7.402 270 HD11 LEU 35 HD11 LEU 35 -0.724 4.421 -10.030 271 HD12 LEU 35 HD12 LEU 35 -1.831 5.271 -8.951 272 HD13 LEU 35 HD13 LEU 35 -2.411 4.647 -10.493 273 HD21 LEU 35 HD21 LEU 35 -2.416 1.100 -9.529 274 HD22 LEU 35 HD22 LEU 35 -1.020 1.848 -10.304 275 HD23 LEU 35 HD23 LEU 35 -2.651 2.240 -10.855 276 H PHE 36 H PHE 36 -2.974 5.725 -6.445 277 HA PHE 36 HA PHE 36 -4.926 4.110 -4.995 278 HD1 PHE 36 HD2 PHE 36 -5.601 5.391 -2.542 279 HD2 PHE 36 HD1 PHE 36 -2.970 7.812 -4.851 280 HE1 PHE 36 HE2 PHE 36 -4.316 5.923 -0.511 281 HE2 PHE 36 HE1 PHE 36 -1.680 8.352 -2.825 282 HZ PHE 36 HZ PHE 36 -2.354 7.408 -0.650 283 HB2 PHE 36 HB2 PHE 36 -5.002 7.030 -5.785 284 HB3 PHE 36 HB3 PHE 36 -6.205 6.211 -4.799 285 H GLU 37 H GLU 37 -6.922 3.598 -5.840 286 HA GLU 37 HA GLU 37 -7.409 4.192 -8.652 287 HB2 GLU 37 HB2 GLU 37 -6.133 2.123 -8.699 288 HB3 GLU 37 HB3 GLU 37 -7.188 1.403 -7.496 289 HG2 GLU 37 HG2 GLU 37 -8.449 2.333 -10.006 290 HG3 GLU 37 HG3 GLU 37 -7.407 0.916 -10.107 291 H ASN 38 H ASN 38 -9.496 4.532 -9.064 292 HA ASN 38 HA ASN 38 -11.529 3.253 -7.421 293 HB2 ASN 38 HB2 ASN 38 -11.001 5.452 -6.322 294 HB3 ASN 38 HB3 ASN 38 -11.529 6.256 -7.796 295 HD21 ASN 38 HD21 ASN 38 -13.180 7.327 -6.726 296 HD22 ASN 38 HD22 ASN 38 -14.616 6.514 -6.195 297 H GLY 39 H GLY 39 -11.486 2.199 -9.593 298 HA2 GLY 39 HA2 GLY 39 -12.873 1.720 -11.395 299 HA3 GLY 39 HA3 GLY 39 -13.691 3.255 -11.142 300 H ASN 40 H ASN 40 -12.869 5.129 -12.095 301 HA ASN 40 HA ASN 40 -11.065 4.642 -14.372 302 HB2 ASN 40 HB2 ASN 40 -13.311 5.535 -14.902 303 HB3 ASN 40 HB3 ASN 40 -12.998 6.925 -13.877 304 HD21 ASN 40 HD21 ASN 40 -11.629 8.552 -14.603 305 HD22 ASN 40 HD22 ASN 40 -11.086 8.639 -16.245 306 H TRP 41 H TRP 41 -11.374 6.194 -11.371 307 HA TRP 41 HA TRP 41 -9.451 8.277 -11.885 308 HD1 TRP 41 HD1 TRP 41 -9.412 10.825 -10.357 309 HE1 TRP 41 HE1 TRP 41 -7.986 11.695 -8.401 310 HE3 TRP 41 HE3 TRP 41 -9.637 6.730 -7.311 311 HZ2 TRP 41 HZ2 TRP 41 -7.080 10.764 -5.900 312 HZ3 TRP 41 HZ3 TRP 41 -8.466 6.804 -5.152 313 HH2 TRP 41 HH2 TRP 41 -7.213 8.780 -4.463 314 HB2 TRP 41 HB2 TRP 41 -11.229 8.769 -10.385 315 HB3 TRP 41 HB3 TRP 41 -10.859 7.387 -9.366 316 H ASP 42 H ASP 42 -7.415 8.280 -11.508 317 HA ASP 42 HA ASP 42 -6.161 6.101 -9.973 318 HB2 ASP 42 HB2 ASP 42 -5.267 7.227 -12.635 319 HB3 ASP 42 HB3 ASP 42 -4.200 6.308 -11.585 320 H LYS 43 H LYS 43 -4.213 6.690 -8.918 321 HA LYS 43 HA LYS 43 -3.245 9.399 -9.096 322 HB2 LYS 43 HB2 LYS 43 -5.223 9.560 -7.554 323 HB3 LYS 43 HB3 LYS 43 -4.400 8.456 -6.463 324 HG2 LYS 43 HG2 LYS 43 -2.568 10.069 -6.230 325 HG3 LYS 43 HG3 LYS 43 -3.425 11.180 -7.299 326 HD2 LYS 43 HD2 LYS 43 -5.320 11.165 -5.689 327 HD3 LYS 43 HD3 LYS 43 -4.336 10.183 -4.602 328 HE2 LYS 43 HE2 LYS 43 -4.177 12.471 -3.906 329 HE3 LYS 43 HE3 LYS 43 -2.633 11.999 -4.611 330 HZ1 LYS 43 HZ1 LYS 43 -3.334 13.072 -6.692 331 HZ2 LYS 43 HZ2 LYS 43 -3.265 14.166 -5.402 332 HZ3 LYS 43 HZ3 LYS 43 -4.765 13.590 -5.938 333 H LEU 44 H LEU 44 -1.201 8.710 -9.462 334 HA LEU 44 HA LEU 44 -0.028 6.739 -7.649 335 HG LEU 44 HG LEU 44 2.879 7.172 -8.593 336 HB2 LEU 44 HB2 LEU 44 0.338 6.474 -10.070 337 HB3 LEU 44 HB3 LEU 44 1.120 8.043 -10.118 338 HD11 LEU 44 HD11 LEU 44 1.557 5.401 -7.545 339 HD12 LEU 44 HD12 LEU 44 3.062 4.783 -8.223 340 HD13 LEU 44 HD13 LEU 44 1.538 4.516 -9.070 341 HD21 LEU 44 HD21 LEU 44 4.008 5.807 -10.283 342 HD22 LEU 44 HD22 LEU 44 3.228 7.215 -11.005 343 HD23 LEU 44 HD23 LEU 44 2.483 5.622 -11.152 344 H VAL 45 H VAL 45 0.663 7.579 -5.795 345 HA VAL 45 HA VAL 45 2.266 10.049 -5.919 346 HB VAL 45 HB VAL 45 0.368 9.304 -3.681 347 HG11 VAL 45 HG11 VAL 45 2.056 11.774 -4.087 348 HG12 VAL 45 HG12 VAL 45 2.361 10.499 -2.906 349 HG13 VAL 45 HG13 VAL 45 0.916 11.504 -2.769 350 HG21 VAL 45 HG21 VAL 45 -0.849 10.032 -5.653 351 HG22 VAL 45 HG22 VAL 45 0.170 11.467 -5.771 352 HG23 VAL 45 HG23 VAL 45 -0.917 11.270 -4.398 353 H THR 46 H THR 46 4.247 9.804 -5.153 354 HA THR 46 HA THR 46 5.058 7.377 -3.860 355 HB THR 46 HB THR 46 6.755 9.843 -4.007 356 HG1 THR 46 HG1 THR 46 5.883 9.657 -6.090 357 HG21 THR 46 HG21 THR 46 7.677 7.877 -2.887 358 HG22 THR 46 HG22 THR 46 8.545 8.207 -4.386 359 HG23 THR 46 HG23 THR 46 7.360 6.903 -4.325 360 H PHE 47 H PHE 47 5.270 7.009 -1.768 361 HA PHE 47 HA PHE 47 5.241 9.273 0.117 362 HD1 PHE 47 HD1 PHE 47 3.062 9.980 1.630 363 HD2 PHE 47 HD2 PHE 47 2.041 6.827 -1.039 364 HE1 PHE 47 HE1 PHE 47 0.950 11.125 1.095 365 HE2 PHE 47 HE2 PHE 47 -0.072 7.967 -1.584 366 HZ PHE 47 HZ PHE 47 -0.621 10.118 -0.515 367 HB2 PHE 47 HB2 PHE 47 3.873 6.588 0.396 368 HB3 PHE 47 HB3 PHE 47 4.124 7.693 1.743 369 H ARG 48 H ARG 48 5.915 8.075 2.420 370 HA ARG 48 HA ARG 48 8.536 6.922 1.794 371 HE ARG 48 HE ARG 48 7.983 11.851 3.249 372 HB2 ARG 48 HB2 ARG 48 7.530 8.205 4.340 373 HB3 ARG 48 HB3 ARG 48 9.156 7.593 4.081 374 HG2 ARG 48 HG2 ARG 48 9.542 9.240 2.354 375 HG3 ARG 48 HG3 ARG 48 7.879 9.815 2.507 376 HD2 ARG 48 HD2 ARG 48 9.008 9.850 5.091 377 HD3 ARG 48 HD3 ARG 48 10.190 10.578 4.004 378 HH11 ARG 48 HH11 ARG 48 9.192 11.134 6.467 379 HH12 ARG 48 HH12 ARG 48 8.440 12.526 7.193 380 HH21 ARG 48 HH21 ARG 48 7.039 13.713 4.199 381 HH22 ARG 48 HH22 ARG 48 7.234 13.987 5.901 382 H LEU 49 H LEU 49 9.343 5.310 3.423 383 HA LEU 49 HA LEU 49 7.423 3.166 3.499 384 HG LEU 49 HG LEU 49 10.143 3.465 1.957 385 HB2 LEU 49 HB2 LEU 49 10.307 3.267 4.391 386 HB3 LEU 49 HB3 LEU 49 9.325 1.817 4.351 387 HD11 LEU 49 HD11 LEU 49 11.983 2.191 2.924 388 HD12 LEU 49 HD12 LEU 49 11.493 1.521 1.367 389 HD13 LEU 49 HD13 LEU 49 11.005 0.723 2.865 390 HD21 LEU 49 HD21 LEU 49 7.951 2.486 1.614 391 HD22 LEU 49 HD22 LEU 49 8.549 0.910 2.129 392 HD23 LEU 49 HD23 LEU 49 9.155 1.639 0.641 393 H SER 50 H SER 50 8.686 5.489 5.673 394 HA SER 50 HA SER 50 7.716 4.116 8.032 395 HG SER 50 HG SER 50 10.180 7.141 7.452 396 HB2 SER 50 HB2 SER 50 8.368 6.415 9.060 397 HB3 SER 50 HB3 SER 50 9.654 5.355 8.478 398 H GLU 51 H GLU 51 6.564 6.192 5.611 399 HA GLU 51 HA GLU 51 4.401 7.267 7.269 400 HB2 GLU 51 HB2 GLU 51 5.047 7.741 4.350 401 HB3 GLU 51 HB3 GLU 51 3.783 8.561 5.257 402 HG2 GLU 51 HG2 GLU 51 6.739 8.721 5.821 403 HG3 GLU 51 HG3 GLU 51 5.775 9.945 4.999 404 H LEU 52 H LEU 52 5.010 4.507 5.615 405 HA LEU 52 HA LEU 52 2.173 4.065 4.993 406 HG LEU 52 HG LEU 52 3.957 5.226 2.832 407 HB2 LEU 52 HB2 LEU 52 4.625 2.964 3.626 408 HB3 LEU 52 HB3 LEU 52 2.997 2.410 3.317 409 HD11 LEU 52 HD11 LEU 52 5.068 3.670 1.339 410 HD12 LEU 52 HD12 LEU 52 3.873 4.620 0.457 411 HD13 LEU 52 HD13 LEU 52 3.518 2.951 0.904 412 HD21 LEU 52 HD21 LEU 52 1.561 5.075 3.282 413 HD22 LEU 52 HD22 LEU 52 1.401 3.823 2.051 414 HD23 LEU 52 HD23 LEU 52 1.862 5.459 1.590 415 H GLU 53 H GLU 53 1.420 1.888 5.297 416 HA GLU 53 HA GLU 53 3.155 0.122 6.852 417 HB2 GLU 53 HB2 GLU 53 1.660 1.472 8.385 418 HB3 GLU 53 HB3 GLU 53 0.286 0.676 7.628 419 HG2 GLU 53 HG2 GLU 53 0.811 -0.423 9.694 420 HG3 GLU 53 HG3 GLU 53 1.188 -1.500 8.350 421 H ALA 54 H ALA 54 3.152 -1.834 5.957 422 HA ALA 54 HA ALA 54 1.539 -2.537 3.761 423 HB1 ALA 54 HB1 ALA 54 2.524 -4.757 3.970 424 HB2 ALA 54 HB2 ALA 54 3.122 -4.354 5.579 425 HB3 ALA 54 HB3 ALA 54 3.752 -3.506 4.167 426 H VAL 55 H VAL 55 -0.377 -3.537 3.588 427 HA VAL 55 HA VAL 55 -1.763 -4.150 6.105 428 HB VAL 55 HB VAL 55 -3.203 -3.935 3.491 429 HG11 VAL 55 HG11 VAL 55 -4.984 -3.032 4.913 430 HG12 VAL 55 HG12 VAL 55 -3.920 -3.152 6.315 431 HG13 VAL 55 HG13 VAL 55 -4.439 -4.613 5.476 432 HG21 VAL 55 HG21 VAL 55 -1.743 -1.980 3.516 433 HG22 VAL 55 HG22 VAL 55 -2.329 -1.559 5.127 434 HG23 VAL 55 HG23 VAL 55 -3.430 -1.524 3.748 435 H LYS 56 H LYS 56 -3.765 -5.718 5.231 436 HA LYS 56 HA LYS 56 -2.673 -8.294 5.189 437 HB2 LYS 56 HB2 LYS 56 -4.994 -9.015 4.846 438 HB3 LYS 56 HB3 LYS 56 -4.900 -7.757 6.075 439 HG2 LYS 56 HG2 LYS 56 -5.737 -6.114 4.598 440 HG3 LYS 56 HG3 LYS 56 -5.525 -7.159 3.197 441 HD2 LYS 56 HD2 LYS 56 -7.846 -7.072 3.715 442 HD3 LYS 56 HD3 LYS 56 -7.254 -8.673 4.158 443 HE2 LYS 56 HE2 LYS 56 -7.265 -8.135 6.462 444 HE3 LYS 56 HE3 LYS 56 -7.492 -6.418 6.130 445 HZ1 LYS 56 HZ1 LYS 56 -9.680 -6.867 5.285 446 HZ2 LYS 56 HZ2 LYS 56 -9.548 -7.520 6.846 447 HZ3 LYS 56 HZ3 LYS 56 -9.473 -8.536 5.492 448 HA PRO 57 HA PRO 57 -2.695 -9.164 0.723 449 HB2 PRO 57 HB2 PRO 57 -2.907 -11.986 1.392 450 HB3 PRO 57 HB3 PRO 57 -1.536 -11.124 0.694 451 HG2 PRO 57 HG2 PRO 57 -1.513 -12.168 3.209 452 HG3 PRO 57 HG3 PRO 57 -0.558 -10.752 2.730 453 HD2 PRO 57 HD2 PRO 57 -3.167 -10.866 4.202 454 HD3 PRO 57 HD3 PRO 57 -1.749 -9.836 4.496 455 H ILE 58 H ILE 58 -4.249 -10.299 -0.740 456 HA ILE 58 HA ILE 58 -6.922 -9.905 0.239 457 HB ILE 58 HB ILE 58 -6.031 -10.961 -2.457 458 HG12 ILE 58 HG12 ILE 58 -6.788 -8.603 -3.183 459 HG13 ILE 58 HG13 ILE 58 -6.685 -8.183 -1.480 460 HG21 ILE 58 HG21 ILE 58 -8.725 -9.969 -1.559 461 HG22 ILE 58 HG22 ILE 58 -8.310 -11.613 -2.043 462 HG23 ILE 58 HG23 ILE 58 -8.281 -10.309 -3.232 463 HD11 ILE 58 HD11 ILE 58 -4.305 -8.767 -1.497 464 HD12 ILE 58 HD12 ILE 58 -4.697 -7.493 -2.652 465 HD13 ILE 58 HD13 ILE 58 -4.423 -9.142 -3.215 466 H LEU 59 H LEU 59 -8.604 -11.593 -0.122 467 HA LEU 59 HA LEU 59 -9.559 -13.558 0.476 468 HG LEU 59 HG LEU 59 -8.650 -16.375 0.910 469 HB2 LEU 59 HB2 LEU 59 -7.957 -14.435 -1.300 470 HB3 LEU 59 HB3 LEU 59 -6.889 -14.880 0.015 471 HD11 LEU 59 HD11 LEU 59 -10.599 -15.222 0.032 472 HD12 LEU 59 HD12 LEU 59 -10.588 -16.912 -0.468 473 HD13 LEU 59 HD13 LEU 59 -10.129 -15.652 -1.612 474 HD21 LEU 59 HD21 LEU 59 -6.926 -17.276 -0.540 475 HD22 LEU 59 HD22 LEU 59 -7.887 -16.874 -1.963 476 HD23 LEU 59 HD23 LEU 59 -8.464 -18.093 -0.826 477 H GLU 60 H GLU 60 -8.750 -15.683 1.984 478 HA GLU 60 HA GLU 60 -8.702 -14.670 4.591 479 HB2 GLU 60 HB2 GLU 60 -9.606 -16.864 4.077 480 HB3 GLU 60 HB3 GLU 60 -8.033 -17.418 3.524 481 HG2 GLU 60 HG2 GLU 60 -7.166 -17.180 5.809 482 HG3 GLU 60 HG3 GLU 60 -8.768 -16.677 6.350 483 H HIS 61 H HIS 61 -7.055 -13.629 5.533 484 HA HIS 61 HA HIS 61 -4.337 -14.109 4.675 485 HD1 HIS 61 HD1 HIS 61 -7.366 -11.651 6.624 486 HD2 HIS 61 HD2 HIS 61 -3.939 -12.290 8.901 487 HE1 HIS 61 HE1 HIS 61 -8.011 -11.116 8.999 488 HE2 HIS 61 HE2 HIS 61 -5.962 -11.620 10.371 489 HB2 HIS 61 HB2 HIS 61 -3.679 -12.313 6.153 490 HB3 HIS 61 HB3 HIS 61 -5.099 -11.810 5.250 491 H HIS 62 H HIS 62 -3.015 -15.552 5.505 492 HA HIS 62 HA HIS 62 -3.974 -17.095 7.776 493 HD1 HIS 62 HD1 HIS 62 -3.181 -17.780 3.677 494 HD2 HIS 62 HD2 HIS 62 -4.826 -19.848 6.884 495 HE1 HIS 62 HE1 HIS 62 -5.142 -19.039 2.736 496 HE2 HIS 62 HE2 HIS 62 -6.298 -19.990 4.768 497 HB2 HIS 62 HB2 HIS 62 -1.779 -17.621 5.770 498 HB3 HIS 62 HB3 HIS 62 -2.186 -18.708 7.095 499 H HIS 63 H HIS 63 -2.988 -17.297 9.675 500 HA HIS 63 HA HIS 63 -1.260 -15.219 10.540 501 HD1 HIS 63 HD1 HIS 63 -2.738 -14.283 12.941 502 HD2 HIS 63 HD2 HIS 63 0.130 -17.093 14.033 503 HE1 HIS 63 HE1 HIS 63 -1.640 -13.367 15.012 504 HE2 HIS 63 HE2 HIS 63 -0.080 -15.195 15.779 505 HB2 HIS 63 HB2 HIS 63 -3.007 -16.659 11.847 506 HB3 HIS 63 HB3 HIS 63 -1.672 -17.785 12.058 507 H HIS 64 H HIS 64 0.924 -15.394 11.308 508 HA HIS 64 HA HIS 64 2.639 -16.767 9.585 509 HD1 HIS 64 HD1 HIS 64 5.829 -15.015 9.952 510 HD2 HIS 64 HD2 HIS 64 2.015 -13.376 10.141 511 HE1 HIS 64 HE1 HIS 64 5.898 -12.969 8.491 512 HE2 HIS 64 HE2 HIS 64 3.507 -12.177 8.404 513 HB2 HIS 64 HB2 HIS 64 3.048 -15.327 12.175 514 HB3 HIS 64 HB3 HIS 64 4.372 -16.267 11.492 515 H HIS 65 H HIS 65 4.014 -18.504 9.857 516 HA HIS 65 HA HIS 65 2.824 -20.599 11.511 517 HD1 HIS 65 HD1 HIS 65 3.046 -19.535 7.575 518 HD2 HIS 65 HD2 HIS 65 1.454 -22.834 9.550 519 HE1 HIS 65 HE1 HIS 65 0.863 -20.028 6.426 520 HE2 HIS 65 HE2 HIS 65 -0.142 -21.951 7.713 521 HB2 HIS 65 HB2 HIS 65 4.709 -20.719 9.149 522 HB3 HIS 65 HB3 HIS 65 4.137 -22.132 10.032 523 H HIS 66 H HIS 66 4.936 -22.378 11.615 524 HA HIS 66 HA HIS 66 6.512 -21.183 13.741 525 HD1 HIS 66 HD1 HIS 66 6.027 -22.983 16.319 526 HD2 HIS 66 HD2 HIS 66 3.602 -24.221 13.171 527 HE1 HIS 66 HE1 HIS 66 3.780 -23.483 17.343 528 HE2 HIS 66 HE2 HIS 66 2.305 -24.159 15.410 529 HB2 HIS 66 HB2 HIS 66 6.367 -24.039 12.747 530 HB3 HIS 66 HB3 HIS 66 7.310 -23.505 14.133 Start of MODEL 17 1 HA MET 1 HA MET 1 11.207 -5.225 3.634 2 H1 MET 1 H1 MET 1 11.229 -4.818 6.057 3 H2 MET 1 H2 MET 1 9.544 -4.612 5.996 4 H3 MET 1 H3 MET 1 10.563 -3.566 5.135 5 HB2 MET 1 HB2 MET 1 11.317 -7.059 5.297 6 HB3 MET 1 HB3 MET 1 9.560 -7.137 5.302 7 HG2 MET 1 HG2 MET 1 9.601 -7.707 2.911 8 HG3 MET 1 HG3 MET 1 11.362 -7.698 2.957 9 HE1 MET 1 HE1 MET 1 8.819 -9.035 5.682 10 HE2 MET 1 HE2 MET 1 8.698 -10.728 5.205 11 HE3 MET 1 HE3 MET 1 8.084 -9.464 4.138 12 H ILE 2 H ILE 2 10.063 -4.025 2.189 13 HA ILE 2 HA ILE 2 7.242 -4.811 1.835 14 HB ILE 2 HB ILE 2 8.319 -2.019 1.389 15 HG12 ILE 2 HG12 ILE 2 6.432 -3.057 3.518 16 HG13 ILE 2 HG13 ILE 2 8.098 -2.563 3.790 17 HG21 ILE 2 HG21 ILE 2 5.978 -1.411 0.971 18 HG22 ILE 2 HG22 ILE 2 5.510 -3.100 1.159 19 HG23 ILE 2 HG23 ILE 2 6.546 -2.618 -0.184 20 HD11 ILE 2 HD11 ILE 2 6.559 -0.847 4.510 21 HD12 ILE 2 HD12 ILE 2 5.839 -0.786 2.903 22 HD13 ILE 2 HD13 ILE 2 7.510 -0.276 3.140 23 H PHE 3 H PHE 3 6.590 -5.080 -0.287 24 HA PHE 3 HA PHE 3 8.665 -4.795 -2.353 25 HD1 PHE 3 HD1 PHE 3 10.404 -6.758 -2.931 26 HD2 PHE 3 HD2 PHE 3 7.653 -8.246 -0.042 27 HE1 PHE 3 HE1 PHE 3 12.252 -7.882 -1.760 28 HE2 PHE 3 HE2 PHE 3 9.498 -9.367 1.138 29 HZ PHE 3 HZ PHE 3 11.801 -9.188 0.282 30 HB2 PHE 3 HB2 PHE 3 6.854 -7.188 -1.943 31 HB3 PHE 3 HB3 PHE 3 7.890 -6.948 -3.344 32 HA PRO 4 HA PRO 4 5.487 -2.861 -4.810 33 HB2 PRO 4 HB2 PRO 4 6.731 -4.258 -7.108 34 HB3 PRO 4 HB3 PRO 4 6.470 -2.529 -6.853 35 HG2 PRO 4 HG2 PRO 4 8.914 -3.594 -6.679 36 HG3 PRO 4 HG3 PRO 4 8.397 -2.290 -5.591 37 HD2 PRO 4 HD2 PRO 4 8.615 -5.229 -5.060 38 HD3 PRO 4 HD3 PRO 4 9.034 -3.861 -4.008 39 H GLY 5 H GLY 5 3.466 -3.499 -5.225 40 HA2 GLY 5 HA2 GLY 5 1.912 -5.013 -6.317 41 HA3 GLY 5 HA3 GLY 5 3.001 -6.334 -5.912 42 H ALA 6 H ALA 6 3.178 -4.578 -3.254 43 HA ALA 6 HA ALA 6 1.134 -6.126 -1.888 44 HB1 ALA 6 HB1 ALA 6 2.193 -5.365 0.161 45 HB2 ALA 6 HB2 ALA 6 3.220 -4.265 -0.758 46 HB3 ALA 6 HB3 ALA 6 3.403 -6.010 -0.949 47 H THR 7 H THR 7 -0.528 -5.228 -0.656 48 HA THR 7 HA THR 7 -1.413 -2.600 -1.534 49 HB THR 7 HB THR 7 -2.864 -4.493 0.319 50 HG1 THR 7 HG1 THR 7 -2.534 -4.528 -2.479 51 HG21 THR 7 HG21 THR 7 -4.860 -3.371 -0.551 52 HG22 THR 7 HG22 THR 7 -3.846 -2.337 -1.558 53 HG23 THR 7 HG23 THR 7 -3.759 -2.217 0.200 54 H VAL 8 H VAL 8 -1.471 -0.816 -0.276 55 HA VAL 8 HA VAL 8 -0.713 -1.092 2.545 56 HB VAL 8 HB VAL 8 0.744 0.949 2.259 57 HG11 VAL 8 HG11 VAL 8 1.591 -1.556 0.804 58 HG12 VAL 8 HG12 VAL 8 1.686 -1.287 2.544 59 HG13 VAL 8 HG13 VAL 8 2.673 -0.321 1.449 60 HG21 VAL 8 HG21 VAL 8 1.617 1.406 0.012 61 HG22 VAL 8 HG22 VAL 8 -0.119 1.707 0.113 62 HG23 VAL 8 HG23 VAL 8 0.477 0.237 -0.661 63 H ARG 9 H ARG 9 -1.419 0.528 3.912 64 HA ARG 9 HA ARG 9 -3.383 2.402 2.760 65 HE ARG 9 HE ARG 9 -4.447 1.814 7.491 66 HB2 ARG 9 HB2 ARG 9 -4.376 0.694 4.261 67 HB3 ARG 9 HB3 ARG 9 -3.318 1.235 5.557 68 HG2 ARG 9 HG2 ARG 9 -4.393 3.393 5.599 69 HG3 ARG 9 HG3 ARG 9 -5.381 2.962 4.202 70 HD2 ARG 9 HD2 ARG 9 -6.725 2.726 6.170 71 HD3 ARG 9 HD3 ARG 9 -6.372 1.117 5.547 72 HH11 ARG 9 HH11 ARG 9 -7.811 0.865 7.192 73 HH12 ARG 9 HH12 ARG 9 -7.904 0.223 8.804 74 HH21 ARG 9 HH21 ARG 9 -4.553 0.964 9.589 75 HH22 ARG 9 HH22 ARG 9 -6.038 0.262 10.168 76 H VAL 10 H VAL 10 -3.134 4.549 3.184 77 HA VAL 10 HA VAL 10 -0.648 5.421 4.332 78 HB VAL 10 HB VAL 10 -3.032 7.102 3.522 79 HG11 VAL 10 HG11 VAL 10 -1.446 8.255 4.995 80 HG12 VAL 10 HG12 VAL 10 -1.433 8.931 3.366 81 HG13 VAL 10 HG13 VAL 10 -0.133 7.858 3.885 82 HG21 VAL 10 HG21 VAL 10 -1.867 7.439 1.400 83 HG22 VAL 10 HG22 VAL 10 -2.232 5.734 1.660 84 HG23 VAL 10 HG23 VAL 10 -0.594 6.334 1.918 85 H THR 11 H THR 11 -0.393 5.298 6.483 86 HA THR 11 HA THR 11 -2.713 5.578 8.216 87 HB THR 11 HB THR 11 0.085 4.986 9.148 88 HG1 THR 11 HG1 THR 11 -1.665 2.884 8.522 89 HG21 THR 11 HG21 THR 11 -2.640 4.119 10.130 90 HG22 THR 11 HG22 THR 11 -1.640 5.381 10.852 91 HG23 THR 11 HG23 THR 11 -1.092 3.705 10.868 92 H ASN 12 H ASN 12 -0.380 7.624 6.975 93 HA ASN 12 HA ASN 12 0.145 9.296 9.207 94 HB2 ASN 12 HB2 ASN 12 1.420 9.378 7.042 95 HB3 ASN 12 HB3 ASN 12 0.015 10.131 6.295 96 HD21 ASN 12 HD21 ASN 12 2.644 11.245 6.492 97 HD22 ASN 12 HD22 ASN 12 2.501 12.697 7.428 98 H VAL 13 H VAL 13 -1.364 10.324 10.356 99 HA VAL 13 HA VAL 13 -4.037 10.624 9.308 100 HB VAL 13 HB VAL 13 -3.124 11.645 11.979 101 HG11 VAL 13 HG11 VAL 13 -5.403 12.162 11.309 102 HG12 VAL 13 HG12 VAL 13 -5.392 11.036 12.665 103 HG13 VAL 13 HG13 VAL 13 -5.726 10.450 11.035 104 HG21 VAL 13 HG21 VAL 13 -2.205 9.400 11.781 105 HG22 VAL 13 HG22 VAL 13 -3.789 8.778 11.319 106 HG23 VAL 13 HG23 VAL 13 -3.535 9.430 12.938 107 H ASP 14 H ASP 14 -1.347 12.448 9.026 108 HA ASP 14 HA ASP 14 -2.726 15.031 9.217 109 HB2 ASP 14 HB2 ASP 14 -0.588 14.953 10.354 110 HB3 ASP 14 HB3 ASP 14 0.199 14.314 8.915 111 H ASP 15 H ASP 15 -1.654 12.687 6.976 112 HA ASP 15 HA ASP 15 -0.951 14.483 4.864 113 HB2 ASP 15 HB2 ASP 15 0.046 12.198 5.164 114 HB3 ASP 15 HB3 ASP 15 -1.493 11.516 4.647 115 H THR 16 H THR 16 -1.922 14.530 2.790 116 HA THR 16 HA THR 16 -4.669 15.135 2.821 117 HB THR 16 HB THR 16 -2.864 14.640 0.441 118 HG1 THR 16 HG1 THR 16 -1.884 16.223 1.628 119 HG21 THR 16 HG21 THR 16 -5.374 16.297 0.717 120 HG22 THR 16 HG22 THR 16 -5.223 14.781 -0.173 121 HG23 THR 16 HG23 THR 16 -4.351 16.215 -0.717 122 H TYR 17 H TYR 17 -2.875 12.247 1.938 123 HA TYR 17 HA TYR 17 -5.321 10.999 0.889 124 HD1 TYR 17 HD1 TYR 17 -5.217 10.038 -1.749 125 HD2 TYR 17 HD2 TYR 17 -1.603 12.009 -0.663 126 HE1 TYR 17 HE1 TYR 17 -5.196 11.186 -3.925 127 HE2 TYR 17 HE2 TYR 17 -1.578 13.169 -2.833 128 HH TYR 17 HH TYR 17 -4.225 13.312 -4.881 129 HB2 TYR 17 HB2 TYR 17 -2.410 10.224 0.663 130 HB3 TYR 17 HB3 TYR 17 -3.728 9.202 0.106 131 H TYR 18 H TYR 18 -4.867 11.440 3.748 132 HA TYR 18 HA TYR 18 -4.016 9.190 5.122 133 HD1 TYR 18 HD2 TYR 18 -3.958 8.663 7.478 134 HD2 TYR 18 HD1 TYR 18 -7.667 10.752 7.477 135 HE1 TYR 18 HE2 TYR 18 -4.679 7.370 9.439 136 HE2 TYR 18 HE1 TYR 18 -8.398 9.462 9.441 137 HH TYR 18 HH TYR 18 -6.227 7.427 11.228 138 HB2 TYR 18 HB2 TYR 18 -4.468 11.172 6.370 139 HB3 TYR 18 HB3 TYR 18 -6.137 11.223 5.813 140 H ARG 19 H ARG 19 -4.821 7.306 5.654 141 HA ARG 19 HA ARG 19 -5.992 5.420 5.661 142 HE ARG 19 HE ARG 19 -10.979 8.901 5.788 143 HB2 ARG 19 HB2 ARG 19 -8.271 5.445 6.387 144 HB3 ARG 19 HB3 ARG 19 -7.375 6.681 7.246 145 HG2 ARG 19 HG2 ARG 19 -8.376 8.396 5.829 146 HG3 ARG 19 HG3 ARG 19 -9.257 7.150 4.942 147 HD2 ARG 19 HD2 ARG 19 -10.509 6.552 6.879 148 HD3 ARG 19 HD3 ARG 19 -9.501 7.558 7.914 149 HH11 ARG 19 HH11 ARG 19 -10.767 8.041 9.184 150 HH12 ARG 19 HH12 ARG 19 -11.841 9.310 9.698 151 HH21 ARG 19 HH21 ARG 19 -12.411 10.556 6.478 152 HH22 ARG 19 HH22 ARG 19 -12.782 10.716 8.167 153 H PHE 20 H PHE 20 -5.755 6.984 2.994 154 HA PHE 20 HA PHE 20 -7.665 5.435 1.459 155 HD1 PHE 20 HD2 PHE 20 -8.474 6.579 -1.141 156 HD2 PHE 20 HD1 PHE 20 -6.511 9.205 1.569 157 HE1 PHE 20 HE2 PHE 20 -10.231 8.262 -1.506 158 HE2 PHE 20 HE1 PHE 20 -8.262 10.892 1.208 159 HZ PHE 20 HZ PHE 20 -10.124 10.424 -0.331 160 HB2 PHE 20 HB2 PHE 20 -5.395 7.262 0.717 161 HB3 PHE 20 HB3 PHE 20 -6.148 6.228 -0.481 162 H GLU 21 H GLU 21 -7.026 3.755 0.039 163 HA GLU 21 HA GLU 21 -4.622 2.332 0.950 164 HB2 GLU 21 HB2 GLU 21 -7.373 1.224 0.351 165 HB3 GLU 21 HB3 GLU 21 -5.942 0.218 0.549 166 HG2 GLU 21 HG2 GLU 21 -5.683 0.878 2.812 167 HG3 GLU 21 HG3 GLU 21 -6.892 2.148 2.647 168 H GLY 22 H GLY 22 -3.279 1.623 -0.593 169 HA2 GLY 22 HA2 GLY 22 -4.244 1.505 -3.357 170 HA3 GLY 22 HA3 GLY 22 -2.942 2.627 -2.992 171 H LEU 23 H LEU 23 -2.044 1.137 -4.749 172 HA LEU 23 HA LEU 23 -0.859 -1.266 -3.509 173 HG LEU 23 HG LEU 23 0.424 -2.563 -5.722 174 HB2 LEU 23 HB2 LEU 23 -2.395 -1.516 -5.528 175 HB3 LEU 23 HB3 LEU 23 -1.144 -0.717 -6.460 176 HD11 LEU 23 HD11 LEU 23 -2.177 -3.833 -4.875 177 HD12 LEU 23 HD12 LEU 23 -0.858 -3.349 -3.807 178 HD13 LEU 23 HD13 LEU 23 -0.617 -4.648 -4.976 179 HD21 LEU 23 HD21 LEU 23 -1.982 -3.309 -7.381 180 HD22 LEU 23 HD22 LEU 23 -0.429 -4.144 -7.385 181 HD23 LEU 23 HD23 LEU 23 -0.537 -2.480 -7.959 182 H VAL 24 H VAL 24 1.312 -1.364 -3.330 183 HA VAL 24 HA VAL 24 2.947 0.872 -4.004 184 HB VAL 24 HB VAL 24 3.799 -1.929 -3.237 185 HG11 VAL 24 HG11 VAL 24 5.337 0.665 -3.172 186 HG12 VAL 24 HG12 VAL 24 5.576 -0.647 -4.328 187 HG13 VAL 24 HG13 VAL 24 5.921 -0.903 -2.617 188 HG21 VAL 24 HG21 VAL 24 2.399 -0.939 -1.523 189 HG22 VAL 24 HG22 VAL 24 3.376 0.528 -1.539 190 HG23 VAL 24 HG23 VAL 24 4.075 -0.992 -0.979 191 H GLN 25 H GLN 25 3.557 1.383 -5.987 192 HA GLN 25 HA GLN 25 3.510 -0.566 -8.116 193 HB2 GLN 25 HB2 GLN 25 4.224 2.359 -7.994 194 HB3 GLN 25 HB3 GLN 25 4.421 1.414 -9.460 195 HG2 GLN 25 HG2 GLN 25 1.823 1.778 -7.993 196 HG3 GLN 25 HG3 GLN 25 2.330 2.717 -9.394 197 HE21 GLN 25 HE21 GLN 25 1.163 -0.339 -8.266 198 HE22 GLN 25 HE22 GLN 25 0.830 -1.021 -9.820 199 H ARG 26 H ARG 26 5.879 1.023 -6.133 200 HA ARG 26 HA ARG 26 7.957 -0.745 -6.737 201 HE ARG 26 HE ARG 26 8.264 4.896 -8.975 202 HB2 ARG 26 HB2 ARG 26 9.472 0.837 -7.917 203 HB3 ARG 26 HB3 ARG 26 8.078 0.375 -8.883 204 HG2 ARG 26 HG2 ARG 26 6.987 2.507 -8.218 205 HG3 ARG 26 HG3 ARG 26 8.495 2.969 -7.424 206 HD2 ARG 26 HD2 ARG 26 9.680 2.801 -9.550 207 HD3 ARG 26 HD3 ARG 26 8.187 2.306 -10.352 208 HH11 ARG 26 HH11 ARG 26 8.179 3.083 -11.966 209 HH12 ARG 26 HH12 ARG 26 7.684 4.437 -12.933 210 HH21 ARG 26 HH21 ARG 26 7.569 6.677 -10.228 211 HH22 ARG 26 HH22 ARG 26 7.306 6.483 -11.936 212 H VAL 27 H VAL 27 9.658 -0.441 -5.390 213 HA VAL 27 HA VAL 27 9.348 1.649 -3.350 214 HB VAL 27 HB VAL 27 10.764 -1.019 -3.114 215 HG11 VAL 27 HG11 VAL 27 10.908 -0.512 -0.731 216 HG12 VAL 27 HG12 VAL 27 10.155 1.058 -1.014 217 HG13 VAL 27 HG13 VAL 27 11.747 0.708 -1.691 218 HG21 VAL 27 HG21 VAL 27 8.917 -1.655 -1.637 219 HG22 VAL 27 HG22 VAL 27 8.348 -1.301 -3.268 220 HG23 VAL 27 HG23 VAL 27 8.117 -0.122 -1.978 221 H SER 28 H SER 28 10.887 3.156 -3.200 222 HA SER 28 HA SER 28 13.450 2.656 -4.552 223 HG SER 28 HG SER 28 14.531 4.462 -5.258 224 HB2 SER 28 HB2 SER 28 12.071 4.648 -5.291 225 HB3 SER 28 HB3 SER 28 12.354 5.343 -3.696 226 H ASP 29 H ASP 29 13.718 1.323 -2.551 227 HA ASP 29 HA ASP 29 15.025 0.901 -0.772 228 HB2 ASP 29 HB2 ASP 29 16.629 2.440 -1.825 229 HB3 ASP 29 HB3 ASP 29 15.886 3.774 -0.946 230 H GLY 30 H GLY 30 14.144 4.189 -0.102 231 HA2 GLY 30 HA2 GLY 30 13.067 3.289 2.480 232 HA3 GLY 30 HA3 GLY 30 13.812 4.855 2.227 233 H LYS 31 H LYS 31 12.147 4.603 -0.466 234 HA LYS 31 HA LYS 31 9.634 5.577 0.687 235 HB2 LYS 31 HB2 LYS 31 11.326 6.624 -1.563 236 HB3 LYS 31 HB3 LYS 31 9.619 6.995 -1.458 237 HG2 LYS 31 HG2 LYS 31 9.915 8.133 0.618 238 HG3 LYS 31 HG3 LYS 31 11.584 7.571 0.741 239 HD2 LYS 31 HD2 LYS 31 10.559 9.340 -1.474 240 HD3 LYS 31 HD3 LYS 31 11.341 9.942 -0.011 241 HE2 LYS 31 HE2 LYS 31 13.376 8.832 -0.545 242 HE3 LYS 31 HE3 LYS 31 12.613 7.935 -1.855 243 HZ1 LYS 31 HZ1 LYS 31 14.013 9.888 -2.520 244 HZ2 LYS 31 HZ2 LYS 31 12.815 10.890 -1.854 245 HZ3 LYS 31 HZ3 LYS 31 12.441 9.861 -3.153 246 H ALA 32 H ALA 32 7.853 5.551 -1.062 247 HA ALA 32 HA ALA 32 8.167 3.415 -3.018 248 HB1 ALA 32 HB1 ALA 32 6.260 2.136 -2.193 249 HB2 ALA 32 HB2 ALA 32 6.107 3.237 -0.824 250 HB3 ALA 32 HB3 ALA 32 7.538 2.219 -0.977 251 H ALA 33 H ALA 33 6.600 3.453 -4.651 252 HA ALA 33 HA ALA 33 5.025 5.925 -4.783 253 HB1 ALA 33 HB1 ALA 33 5.650 3.893 -6.932 254 HB2 ALA 33 HB2 ALA 33 6.494 5.420 -6.679 255 HB3 ALA 33 HB3 ALA 33 4.798 5.418 -7.164 256 H VAL 34 H VAL 34 2.959 5.845 -4.223 257 HA VAL 34 HA VAL 34 1.649 3.222 -4.086 258 HB VAL 34 HB VAL 34 0.761 5.825 -2.833 259 HG11 VAL 34 HG11 VAL 34 -0.670 4.406 -1.448 260 HG12 VAL 34 HG12 VAL 34 -0.110 2.982 -2.326 261 HG13 VAL 34 HG13 VAL 34 -1.047 4.222 -3.161 262 HG21 VAL 34 HG21 VAL 34 2.275 3.530 -1.598 263 HG22 VAL 34 HG22 VAL 34 1.642 4.930 -0.733 264 HG23 VAL 34 HG23 VAL 34 2.917 5.137 -1.933 265 H LEU 35 H LEU 35 0.266 2.698 -5.622 266 HA LEU 35 HA LEU 35 -0.946 4.795 -7.259 267 HG LEU 35 HG LEU 35 -2.862 3.075 -8.811 268 HB2 LEU 35 HB2 LEU 35 0.084 2.766 -8.304 269 HB3 LEU 35 HB3 LEU 35 -1.164 1.806 -7.544 270 HD11 LEU 35 HD11 LEU 35 -0.485 4.255 -10.233 271 HD12 LEU 35 HD12 LEU 35 -1.585 5.126 -9.163 272 HD13 LEU 35 HD13 LEU 35 -2.176 4.463 -10.688 273 HD21 LEU 35 HD21 LEU 35 -2.038 0.921 -9.614 274 HD22 LEU 35 HD22 LEU 35 -0.755 1.745 -10.503 275 HD23 LEU 35 HD23 LEU 35 -2.442 1.997 -10.951 276 H PHE 36 H PHE 36 -2.796 5.597 -6.620 277 HA PHE 36 HA PHE 36 -4.592 4.043 -4.923 278 HD1 PHE 36 HD2 PHE 36 -4.954 5.381 -2.493 279 HD2 PHE 36 HD1 PHE 36 -2.675 7.796 -5.156 280 HE1 PHE 36 HE2 PHE 36 -3.462 6.012 -0.642 281 HE2 PHE 36 HE1 PHE 36 -1.180 8.428 -3.309 282 HZ PHE 36 HZ PHE 36 -1.576 7.538 -1.049 283 HB2 PHE 36 HB2 PHE 36 -4.756 6.922 -5.839 284 HB3 PHE 36 HB3 PHE 36 -5.846 6.153 -4.693 285 H GLU 37 H GLU 37 -6.701 3.556 -5.503 286 HA GLU 37 HA GLU 37 -7.474 4.015 -8.275 287 HB2 GLU 37 HB2 GLU 37 -6.160 1.787 -7.881 288 HB3 GLU 37 HB3 GLU 37 -7.654 1.236 -7.143 289 HG2 GLU 37 HG2 GLU 37 -7.651 2.393 -9.899 290 HG3 GLU 37 HG3 GLU 37 -7.185 0.718 -9.627 291 H ASN 38 H ASN 38 -9.418 4.902 -8.127 292 HA ASN 38 HA ASN 38 -11.336 3.785 -6.198 293 HB2 ASN 38 HB2 ASN 38 -10.394 5.925 -5.322 294 HB3 ASN 38 HB3 ASN 38 -10.992 6.740 -6.764 295 HD21 ASN 38 HD21 ASN 38 -13.219 7.055 -7.017 296 HD22 ASN 38 HD22 ASN 38 -14.313 6.911 -5.685 297 H GLY 39 H GLY 39 -12.018 2.626 -8.131 298 HA2 GLY 39 HA2 GLY 39 -13.739 2.269 -9.614 299 HA3 GLY 39 HA3 GLY 39 -14.338 3.875 -9.228 300 H ASN 40 H ASN 40 -13.658 5.634 -10.448 301 HA ASN 40 HA ASN 40 -12.613 4.923 -13.097 302 HB2 ASN 40 HB2 ASN 40 -14.800 6.065 -12.981 303 HB3 ASN 40 HB3 ASN 40 -14.045 7.416 -12.149 304 HD21 ASN 40 HD21 ASN 40 -14.528 8.928 -13.671 305 HD22 ASN 40 HD22 ASN 40 -13.830 8.945 -15.259 306 H TRP 41 H TRP 41 -11.868 6.561 -10.207 307 HA TRP 41 HA TRP 41 -9.873 8.288 -11.443 308 HD1 TRP 41 HD1 TRP 41 -9.381 11.099 -10.455 309 HE1 TRP 41 HE1 TRP 41 -7.484 12.084 -9.016 310 HE3 TRP 41 HE3 TRP 41 -9.206 7.532 -6.785 311 HZ2 TRP 41 HZ2 TRP 41 -6.098 11.433 -6.647 312 HZ3 TRP 41 HZ3 TRP 41 -7.563 7.792 -4.966 313 HH2 TRP 41 HH2 TRP 41 -6.043 9.701 -4.902 314 HB2 TRP 41 HB2 TRP 41 -11.307 9.259 -9.757 315 HB3 TRP 41 HB3 TRP 41 -10.833 8.040 -8.587 316 H ASP 42 H ASP 42 -7.747 8.163 -11.082 317 HA ASP 42 HA ASP 42 -6.626 6.207 -9.258 318 HB2 ASP 42 HB2 ASP 42 -5.216 5.101 -10.893 319 HB3 ASP 42 HB3 ASP 42 -6.895 4.927 -11.377 320 H LYS 43 H LYS 43 -4.354 6.566 -8.884 321 HA LYS 43 HA LYS 43 -3.101 8.921 -9.943 322 HB2 LYS 43 HB2 LYS 43 -4.793 9.897 -8.413 323 HB3 LYS 43 HB3 LYS 43 -4.094 8.983 -7.086 324 HG2 LYS 43 HG2 LYS 43 -3.300 11.214 -6.941 325 HG3 LYS 43 HG3 LYS 43 -1.955 10.204 -7.469 326 HD2 LYS 43 HD2 LYS 43 -2.274 10.923 -9.758 327 HD3 LYS 43 HD3 LYS 43 -3.697 11.858 -9.291 328 HE2 LYS 43 HE2 LYS 43 -0.856 12.329 -8.395 329 HE3 LYS 43 HE3 LYS 43 -1.775 13.319 -9.526 330 HZ1 LYS 43 HZ1 LYS 43 -1.778 14.348 -7.376 331 HZ2 LYS 43 HZ2 LYS 43 -2.352 12.938 -6.637 332 HZ3 LYS 43 HZ3 LYS 43 -3.348 13.795 -7.704 333 H LEU 44 H LEU 44 -0.985 8.588 -9.859 334 HA LEU 44 HA LEU 44 0.082 6.683 -7.902 335 HG LEU 44 HG LEU 44 3.062 7.305 -8.649 336 HB2 LEU 44 HB2 LEU 44 0.689 6.336 -10.247 337 HB3 LEU 44 HB3 LEU 44 1.351 7.957 -10.330 338 HD11 LEU 44 HD11 LEU 44 1.859 5.523 -7.548 339 HD12 LEU 44 HD12 LEU 44 3.395 4.926 -8.176 340 HD13 LEU 44 HD13 LEU 44 1.891 4.556 -9.021 341 HD21 LEU 44 HD21 LEU 44 3.568 7.247 -11.035 342 HD22 LEU 44 HD22 LEU 44 2.975 5.588 -11.130 343 HD23 LEU 44 HD23 LEU 44 4.412 5.960 -10.175 344 H VAL 45 H VAL 45 0.695 7.545 -6.031 345 HA VAL 45 HA VAL 45 2.168 10.098 -6.121 346 HB VAL 45 HB VAL 45 0.310 9.252 -3.886 347 HG11 VAL 45 HG11 VAL 45 0.675 11.530 -3.046 348 HG12 VAL 45 HG12 VAL 45 1.821 11.824 -4.354 349 HG13 VAL 45 HG13 VAL 45 2.179 10.612 -3.123 350 HG21 VAL 45 HG21 VAL 45 -0.993 9.834 -5.841 351 HG22 VAL 45 HG22 VAL 45 -0.083 11.329 -6.040 352 HG23 VAL 45 HG23 VAL 45 -1.126 11.113 -4.634 353 H THR 46 H THR 46 4.166 9.929 -5.348 354 HA THR 46 HA THR 46 5.101 7.580 -4.039 355 HB THR 46 HB THR 46 6.532 10.229 -4.171 356 HG1 THR 46 HG1 THR 46 5.799 9.660 -6.273 357 HG21 THR 46 HG21 THR 46 8.539 8.836 -4.225 358 HG22 THR 46 HG22 THR 46 7.541 7.384 -4.157 359 HG23 THR 46 HG23 THR 46 7.574 8.495 -2.788 360 H PHE 47 H PHE 47 5.554 7.225 -1.962 361 HA PHE 47 HA PHE 47 5.225 9.361 0.021 362 HD1 PHE 47 HD2 PHE 47 2.340 7.457 -1.656 363 HD2 PHE 47 HD1 PHE 47 2.793 9.401 2.100 364 HE1 PHE 47 HE2 PHE 47 0.195 8.607 -1.995 365 HE2 PHE 47 HE1 PHE 47 0.644 10.546 1.768 366 HZ PHE 47 HZ PHE 47 -0.657 10.151 -0.281 367 HB2 PHE 47 HB2 PHE 47 3.907 6.643 0.070 368 HB3 PHE 47 HB3 PHE 47 4.175 7.573 1.532 369 H ARG 48 H ARG 48 5.898 8.241 2.255 370 HA ARG 48 HA ARG 48 8.447 6.887 1.820 371 HE ARG 48 HE ARG 48 10.234 11.097 3.810 372 HB2 ARG 48 HB2 ARG 48 7.114 7.920 4.332 373 HB3 ARG 48 HB3 ARG 48 8.652 7.081 4.315 374 HG2 ARG 48 HG2 ARG 48 9.629 8.860 2.970 375 HG3 ARG 48 HG3 ARG 48 8.074 9.703 2.957 376 HD2 ARG 48 HD2 ARG 48 8.138 10.000 5.324 377 HD3 ARG 48 HD3 ARG 48 9.553 8.963 5.474 378 HH11 ARG 48 HH11 ARG 48 9.218 10.576 7.109 379 HH12 ARG 48 HH12 ARG 48 10.164 11.886 7.751 380 HH21 ARG 48 HH21 ARG 48 11.512 12.835 4.654 381 HH22 ARG 48 HH22 ARG 48 11.478 13.147 6.368 382 H LEU 49 H LEU 49 8.774 5.142 3.725 383 HA LEU 49 HA LEU 49 6.746 3.120 3.224 384 HG LEU 49 HG LEU 49 9.785 3.214 2.323 385 HB2 LEU 49 HB2 LEU 49 9.372 2.965 4.717 386 HB3 LEU 49 HB3 LEU 49 8.310 1.604 4.412 387 HD11 LEU 49 HD11 LEU 49 11.222 1.726 3.606 388 HD12 LEU 49 HD12 LEU 49 11.022 1.149 1.952 389 HD13 LEU 49 HD13 LEU 49 10.139 0.375 3.267 390 HD21 LEU 49 HD21 LEU 49 7.632 2.484 1.471 391 HD22 LEU 49 HD22 LEU 49 7.954 0.837 2.013 392 HD23 LEU 49 HD23 LEU 49 8.934 1.553 0.733 393 H SER 50 H SER 50 8.035 5.105 5.802 394 HA SER 50 HA SER 50 6.593 3.965 7.916 395 HG SER 50 HG SER 50 9.564 5.813 7.749 396 HB2 SER 50 HB2 SER 50 7.691 6.724 7.583 397 HB3 SER 50 HB3 SER 50 7.250 5.966 9.083 398 H GLU 51 H GLU 51 5.666 5.885 5.287 399 HA GLU 51 HA GLU 51 3.468 7.235 6.593 400 HB2 GLU 51 HB2 GLU 51 4.138 6.898 3.662 401 HB3 GLU 51 HB3 GLU 51 2.850 7.916 4.287 402 HG2 GLU 51 HG2 GLU 51 5.770 8.259 4.907 403 HG3 GLU 51 HG3 GLU 51 4.875 9.171 3.692 404 H LEU 52 H LEU 52 4.031 4.163 5.296 405 HA LEU 52 HA LEU 52 1.172 3.710 4.789 406 HG LEU 52 HG LEU 52 3.333 4.590 2.738 407 HB2 LEU 52 HB2 LEU 52 3.548 2.248 3.640 408 HB3 LEU 52 HB3 LEU 52 1.868 2.001 3.217 409 HD11 LEU 52 HD11 LEU 52 4.374 2.787 1.463 410 HD12 LEU 52 HD12 LEU 52 3.499 3.900 0.412 411 HD13 LEU 52 HD13 LEU 52 2.797 2.332 0.814 412 HD21 LEU 52 HD21 LEU 52 0.901 4.786 2.882 413 HD22 LEU 52 HD22 LEU 52 0.722 3.516 1.671 414 HD23 LEU 52 HD23 LEU 52 1.468 5.053 1.234 415 H GLU 53 H GLU 53 0.302 1.705 5.412 416 HA GLU 53 HA GLU 53 2.028 -0.019 7.056 417 HB2 GLU 53 HB2 GLU 53 0.112 -0.630 8.408 418 HB3 GLU 53 HB3 GLU 53 0.295 1.118 8.429 419 HG2 GLU 53 HG2 GLU 53 -1.500 1.356 6.825 420 HG3 GLU 53 HG3 GLU 53 -1.647 -0.396 6.702 421 H ALA 54 H ALA 54 1.782 -2.258 6.713 422 HA ALA 54 HA ALA 54 0.848 -2.954 4.090 423 HB1 ALA 54 HB1 ALA 54 1.669 -5.184 4.601 424 HB2 ALA 54 HB2 ALA 54 1.874 -4.739 6.295 425 HB3 ALA 54 HB3 ALA 54 2.866 -3.970 5.056 426 H VAL 55 H VAL 55 -1.162 -3.560 3.579 427 HA VAL 55 HA VAL 55 -3.078 -4.088 5.674 428 HB VAL 55 HB VAL 55 -3.646 -4.579 2.774 429 HG11 VAL 55 HG11 VAL 55 -5.354 -3.539 5.022 430 HG12 VAL 55 HG12 VAL 55 -5.348 -5.192 4.407 431 HG13 VAL 55 HG13 VAL 55 -5.894 -3.868 3.376 432 HG21 VAL 55 HG21 VAL 55 -4.262 -2.221 2.503 433 HG22 VAL 55 HG22 VAL 55 -2.541 -2.403 2.845 434 HG23 VAL 55 HG23 VAL 55 -3.645 -1.880 4.118 435 H LYS 56 H LYS 56 -4.467 -6.058 5.484 436 HA LYS 56 HA LYS 56 -2.656 -8.350 5.337 437 HB2 LYS 56 HB2 LYS 56 -5.110 -7.777 6.988 438 HB3 LYS 56 HB3 LYS 56 -4.471 -9.399 6.822 439 HG2 LYS 56 HG2 LYS 56 -3.730 -8.347 8.896 440 HG3 LYS 56 HG3 LYS 56 -2.369 -8.703 7.835 441 HD2 LYS 56 HD2 LYS 56 -2.196 -6.408 7.175 442 HD3 LYS 56 HD3 LYS 56 -3.699 -6.003 8.004 443 HE2 LYS 56 HE2 LYS 56 -1.248 -7.048 9.406 444 HE3 LYS 56 HE3 LYS 56 -1.596 -5.332 9.197 445 HZ1 LYS 56 HZ1 LYS 56 -3.192 -7.323 10.717 446 HZ2 LYS 56 HZ2 LYS 56 -3.754 -5.769 10.346 447 HZ3 LYS 56 HZ3 LYS 56 -2.378 -5.960 11.323 448 HA PRO 57 HA PRO 57 -4.891 -9.769 1.741 449 HB2 PRO 57 HB2 PRO 57 -4.211 -12.448 2.206 450 HB3 PRO 57 HB3 PRO 57 -3.316 -11.308 1.199 451 HG2 PRO 57 HG2 PRO 57 -2.810 -12.176 3.998 452 HG3 PRO 57 HG3 PRO 57 -1.655 -11.725 2.733 453 HD2 PRO 57 HD2 PRO 57 -2.237 -10.082 4.783 454 HD3 PRO 57 HD3 PRO 57 -1.892 -9.458 3.153 455 H ILE 58 H ILE 58 -6.978 -10.301 1.586 456 HA ILE 58 HA ILE 58 -8.492 -10.872 3.908 457 HB ILE 58 HB ILE 58 -9.566 -11.364 1.154 458 HG12 ILE 58 HG12 ILE 58 -9.221 -8.647 2.442 459 HG13 ILE 58 HG13 ILE 58 -8.284 -9.239 1.074 460 HG21 ILE 58 HG21 ILE 58 -11.619 -10.474 2.136 461 HG22 ILE 58 HG22 ILE 58 -10.767 -10.200 3.654 462 HG23 ILE 58 HG23 ILE 58 -10.996 -11.844 3.058 463 HD11 ILE 58 HD11 ILE 58 -11.253 -8.742 1.108 464 HD12 ILE 58 HD12 ILE 58 -10.329 -9.363 -0.261 465 HD13 ILE 58 HD13 ILE 58 -10.029 -7.732 0.337 466 H LEU 59 H LEU 59 -9.708 -12.721 4.371 467 HA LEU 59 HA LEU 59 -8.791 -15.217 3.138 468 HG LEU 59 HG LEU 59 -9.187 -17.191 5.379 469 HB2 LEU 59 HB2 LEU 59 -7.550 -14.655 5.289 470 HB3 LEU 59 HB3 LEU 59 -9.081 -14.844 6.121 471 HD11 LEU 59 HD11 LEU 59 -6.435 -16.669 4.264 472 HD12 LEU 59 HD12 LEU 59 -7.890 -16.978 3.318 473 HD13 LEU 59 HD13 LEU 59 -7.233 -18.237 4.363 474 HD21 LEU 59 HD21 LEU 59 -6.627 -16.450 6.788 475 HD22 LEU 59 HD22 LEU 59 -7.407 -18.030 6.829 476 HD23 LEU 59 HD23 LEU 59 -8.208 -16.632 7.547 477 H GLU 60 H GLU 60 -10.309 -17.051 3.747 478 HA GLU 60 HA GLU 60 -12.968 -16.092 3.260 479 HB2 GLU 60 HB2 GLU 60 -11.938 -18.906 3.609 480 HB3 GLU 60 HB3 GLU 60 -13.555 -18.475 3.061 481 HG2 GLU 60 HG2 GLU 60 -12.521 -17.294 1.136 482 HG3 GLU 60 HG3 GLU 60 -10.952 -17.907 1.662 483 H HIS 61 H HIS 61 -12.778 -14.963 5.418 484 HA HIS 61 HA HIS 61 -14.374 -16.551 7.299 485 HD1 HIS 61 HD1 HIS 61 -13.102 -17.308 10.367 486 HD2 HIS 61 HD2 HIS 61 -10.464 -16.955 7.171 487 HE1 HIS 61 HE1 HIS 61 -11.531 -19.258 10.562 488 HE2 HIS 61 HE2 HIS 61 -10.099 -19.144 8.495 489 HB2 HIS 61 HB2 HIS 61 -12.078 -14.709 7.977 490 HB3 HIS 61 HB3 HIS 61 -13.326 -15.113 9.147 491 H HIS 62 H HIS 62 -16.015 -15.352 8.354 492 HA HIS 62 HA HIS 62 -16.710 -12.939 6.843 493 HD1 HIS 62 HD1 HIS 62 -18.747 -16.856 7.804 494 HD2 HIS 62 HD2 HIS 62 -18.681 -13.863 10.691 495 HE1 HIS 62 HE1 HIS 62 -19.271 -17.996 9.979 496 HE2 HIS 62 HE2 HIS 62 -18.983 -16.209 11.730 497 HB2 HIS 62 HB2 HIS 62 -18.999 -13.262 7.787 498 HB3 HIS 62 HB3 HIS 62 -18.436 -14.604 6.801 499 H HIS 63 H HIS 63 -14.928 -13.362 9.386 500 HA HIS 63 HA HIS 63 -14.325 -12.150 11.212 501 HD1 HIS 63 HD1 HIS 63 -14.566 -9.334 7.709 502 HD2 HIS 63 HD2 HIS 63 -12.093 -10.801 10.716 503 HE1 HIS 63 HE1 HIS 63 -12.226 -9.176 6.802 504 HE2 HIS 63 HE2 HIS 63 -10.744 -9.888 8.709 505 HB2 HIS 63 HB2 HIS 63 -15.849 -10.038 9.678 506 HB3 HIS 63 HB3 HIS 63 -14.956 -9.697 11.154 507 H HIS 64 H HIS 64 -15.709 -10.100 12.605 508 HA HIS 64 HA HIS 64 -18.393 -11.012 13.142 509 HD1 HIS 64 HD1 HIS 64 -18.420 -13.949 15.412 510 HD2 HIS 64 HD2 HIS 64 -19.318 -10.007 16.381 511 HE1 HIS 64 HE1 HIS 64 -20.540 -14.046 16.761 512 HE2 HIS 64 HE2 HIS 64 -21.157 -11.643 17.167 513 HB2 HIS 64 HB2 HIS 64 -16.711 -12.407 14.576 514 HB3 HIS 64 HB3 HIS 64 -16.554 -10.930 15.520 515 H HIS 65 H HIS 65 -19.034 -8.968 12.530 516 HA HIS 65 HA HIS 65 -17.873 -6.686 13.963 517 HD1 HIS 65 HD1 HIS 65 -17.674 -7.793 9.975 518 HD2 HIS 65 HD2 HIS 65 -16.522 -4.472 12.203 519 HE1 HIS 65 HE1 HIS 65 -15.438 -7.099 9.060 520 HE2 HIS 65 HE2 HIS 65 -14.839 -4.996 10.309 521 HB2 HIS 65 HB2 HIS 65 -19.520 -6.896 11.450 522 HB3 HIS 65 HB3 HIS 65 -19.246 -5.359 12.261 523 H HIS 66 H HIS 66 -19.218 -5.064 14.836 524 HA HIS 66 HA HIS 66 -22.057 -5.390 14.941 525 HD1 HIS 66 HD1 HIS 66 -23.826 -7.175 17.204 526 HD2 HIS 66 HD2 HIS 66 -22.331 -3.530 18.541 527 HE1 HIS 66 HE1 HIS 66 -25.696 -6.104 18.500 528 HE2 HIS 66 HE2 HIS 66 -24.834 -3.814 19.117 529 HB2 HIS 66 HB2 HIS 66 -21.350 -6.918 16.787 530 HB3 HIS 66 HB3 HIS 66 -20.532 -5.561 17.556 Start of MODEL 18 1 HA MET 1 HA MET 1 9.929 -4.468 4.763 2 H1 MET 1 H1 MET 1 7.758 -5.474 5.112 3 H2 MET 1 H2 MET 1 9.011 -6.593 5.343 4 H3 MET 1 H3 MET 1 8.088 -6.635 3.921 5 HB2 MET 1 HB2 MET 1 11.088 -6.481 3.996 6 HB3 MET 1 HB3 MET 1 10.113 -6.504 2.535 7 HG2 MET 1 HG2 MET 1 12.295 -5.637 2.042 8 HG3 MET 1 HG3 MET 1 11.100 -4.353 1.868 9 HE1 MET 1 HE1 MET 1 14.246 -2.409 3.146 10 HE2 MET 1 HE2 MET 1 13.008 -2.517 1.894 11 HE3 MET 1 HE3 MET 1 14.223 -3.787 2.045 12 H ILE 2 H ILE 2 7.326 -5.523 2.745 13 HA ILE 2 HA ILE 2 5.945 -4.428 1.320 14 HB ILE 2 HB ILE 2 7.640 -1.965 1.713 15 HG12 ILE 2 HG12 ILE 2 5.020 -2.725 3.024 16 HG13 ILE 2 HG13 ILE 2 6.592 -2.747 3.817 17 HG21 ILE 2 HG21 ILE 2 5.692 -0.760 0.832 18 HG22 ILE 2 HG22 ILE 2 4.897 -2.303 0.518 19 HG23 ILE 2 HG23 ILE 2 6.377 -1.881 -0.344 20 HD11 ILE 2 HD11 ILE 2 6.778 -0.333 3.503 21 HD12 ILE 2 HD12 ILE 2 5.339 -0.767 4.426 22 HD13 ILE 2 HD13 ILE 2 5.195 -0.314 2.727 23 H PHE 3 H PHE 3 5.874 -4.479 -0.808 24 HA PHE 3 HA PHE 3 8.267 -4.133 -2.423 25 HD1 PHE 3 HD1 PHE 3 10.307 -5.941 -2.838 26 HD2 PHE 3 HD2 PHE 3 7.407 -7.630 -0.219 27 HE1 PHE 3 HE1 PHE 3 12.111 -6.830 -1.418 28 HE2 PHE 3 HE2 PHE 3 9.202 -8.520 1.204 29 HZ PHE 3 HZ PHE 3 11.558 -8.124 0.608 30 HB2 PHE 3 HB2 PHE 3 6.737 -6.745 -2.266 31 HB3 PHE 3 HB3 PHE 3 7.907 -6.360 -3.521 32 HA PRO 4 HA PRO 4 5.347 -2.771 -5.526 33 HB2 PRO 4 HB2 PRO 4 6.651 -4.585 -7.476 34 HB3 PRO 4 HB3 PRO 4 6.411 -2.837 -7.560 35 HG2 PRO 4 HG2 PRO 4 8.825 -3.874 -7.073 36 HG3 PRO 4 HG3 PRO 4 8.287 -2.384 -6.273 37 HD2 PRO 4 HD2 PRO 4 8.446 -5.169 -5.193 38 HD3 PRO 4 HD3 PRO 4 8.810 -3.627 -4.394 39 H GLY 5 H GLY 5 3.322 -3.522 -5.334 40 HA2 GLY 5 HA2 GLY 5 1.690 -5.100 -6.285 41 HA3 GLY 5 HA3 GLY 5 2.848 -6.376 -5.932 42 H ALA 6 H ALA 6 3.273 -4.552 -3.365 43 HA ALA 6 HA ALA 6 1.402 -6.101 -1.761 44 HB1 ALA 6 HB1 ALA 6 3.639 -4.242 -0.948 45 HB2 ALA 6 HB2 ALA 6 3.715 -6.002 -1.022 46 HB3 ALA 6 HB3 ALA 6 2.668 -5.213 0.158 47 H THR 7 H THR 7 -0.129 -5.203 -0.389 48 HA THR 7 HA THR 7 -1.117 -2.581 -1.171 49 HB THR 7 HB THR 7 -2.348 -4.448 0.856 50 HG1 THR 7 HG1 THR 7 -3.625 -5.123 -1.072 51 HG21 THR 7 HG21 THR 7 -4.436 -3.355 0.140 52 HG22 THR 7 HG22 THR 7 -3.515 -2.333 -0.964 53 HG23 THR 7 HG23 THR 7 -3.276 -2.191 0.778 54 H VAL 8 H VAL 8 -0.988 -0.791 0.071 55 HA VAL 8 HA VAL 8 -0.028 -1.113 2.830 56 HB VAL 8 HB VAL 8 1.256 1.016 2.554 57 HG11 VAL 8 HG11 VAL 8 2.114 -1.289 0.809 58 HG12 VAL 8 HG12 VAL 8 2.384 -1.144 2.546 59 HG13 VAL 8 HG13 VAL 8 3.170 -0.023 1.436 60 HG21 VAL 8 HG21 VAL 8 1.845 1.758 0.312 61 HG22 VAL 8 HG22 VAL 8 0.103 1.852 0.562 62 HG23 VAL 8 HG23 VAL 8 0.786 0.530 -0.385 63 H ARG 9 H ARG 9 -0.636 0.521 4.288 64 HA ARG 9 HA ARG 9 -3.030 2.002 3.420 65 HE ARG 9 HE ARG 9 -5.966 0.165 5.804 66 HB2 ARG 9 HB2 ARG 9 -3.414 0.267 5.145 67 HB3 ARG 9 HB3 ARG 9 -2.244 1.059 6.190 68 HG2 ARG 9 HG2 ARG 9 -3.662 2.986 6.401 69 HG3 ARG 9 HG3 ARG 9 -4.801 2.327 5.222 70 HD2 ARG 9 HD2 ARG 9 -4.109 1.102 7.893 71 HD3 ARG 9 HD3 ARG 9 -5.588 1.988 7.518 72 HH11 ARG 9 HH11 ARG 9 -4.098 -0.411 8.710 73 HH12 ARG 9 HH12 ARG 9 -4.517 -2.095 8.781 74 HH21 ARG 9 HH21 ARG 9 -6.499 -2.044 5.895 75 HH22 ARG 9 HH22 ARG 9 -5.904 -3.014 7.218 76 H VAL 10 H VAL 10 -2.993 4.159 3.549 77 HA VAL 10 HA VAL 10 -0.465 5.413 4.042 78 HB VAL 10 HB VAL 10 -3.121 6.727 3.450 79 HG11 VAL 10 HG11 VAL 10 -1.476 8.283 4.329 80 HG12 VAL 10 HG12 VAL 10 -1.742 8.578 2.611 81 HG13 VAL 10 HG13 VAL 10 -0.290 7.730 3.145 82 HG21 VAL 10 HG21 VAL 10 -2.403 6.736 1.115 83 HG22 VAL 10 HG22 VAL 10 -2.552 5.092 1.733 84 HG23 VAL 10 HG23 VAL 10 -0.958 5.825 1.548 85 H THR 11 H THR 11 0.115 5.437 6.133 86 HA THR 11 HA THR 11 -1.680 6.211 8.245 87 HB THR 11 HB THR 11 1.328 6.123 8.472 88 HG1 THR 11 HG1 THR 11 -0.405 3.864 8.713 89 HG21 THR 11 HG21 THR 11 0.829 5.357 10.748 90 HG22 THR 11 HG22 THR 11 -0.897 5.426 10.393 91 HG23 THR 11 HG23 THR 11 0.057 6.910 10.417 92 H ASN 12 H ASN 12 0.150 7.786 5.919 93 HA ASN 12 HA ASN 12 0.901 10.146 7.293 94 HB2 ASN 12 HB2 ASN 12 1.886 9.389 5.130 95 HB3 ASN 12 HB3 ASN 12 0.358 9.749 4.338 96 HD21 ASN 12 HD21 ASN 12 3.047 10.832 3.903 97 HD22 ASN 12 HD22 ASN 12 2.900 12.548 4.082 98 H VAL 13 H VAL 13 -0.576 11.326 8.305 99 HA VAL 13 HA VAL 13 -3.250 11.675 7.218 100 HB VAL 13 HB VAL 13 -2.863 11.228 9.635 101 HG11 VAL 13 HG11 VAL 13 -2.113 13.070 11.082 102 HG12 VAL 13 HG12 VAL 13 -1.706 14.003 9.642 103 HG13 VAL 13 HG13 VAL 13 -0.851 12.501 9.988 104 HG21 VAL 13 HG21 VAL 13 -4.951 12.226 8.897 105 HG22 VAL 13 HG22 VAL 13 -4.238 13.835 9.008 106 HG23 VAL 13 HG23 VAL 13 -4.480 12.876 10.468 107 H ASP 14 H ASP 14 -0.272 13.212 7.121 108 HA ASP 14 HA ASP 14 -1.037 15.934 7.012 109 HB2 ASP 14 HB2 ASP 14 1.283 15.346 7.386 110 HB3 ASP 14 HB3 ASP 14 1.358 14.499 5.843 111 H ASP 15 H ASP 15 -0.811 13.388 4.607 112 HA ASP 15 HA ASP 15 -1.468 15.145 2.408 113 HB2 ASP 15 HB2 ASP 15 -0.050 13.015 2.252 114 HB3 ASP 15 HB3 ASP 15 -1.563 12.125 2.377 115 H THR 16 H THR 16 -3.349 13.860 0.953 116 HA THR 16 HA THR 16 -5.738 14.455 2.541 117 HB THR 16 HB THR 16 -5.568 14.015 -0.448 118 HG1 THR 16 HG1 THR 16 -4.418 15.933 0.929 119 HG21 THR 16 HG21 THR 16 -7.826 13.927 0.539 120 HG22 THR 16 HG22 THR 16 -7.620 15.345 -0.490 121 HG23 THR 16 HG23 THR 16 -7.560 15.514 1.264 122 H TYR 17 H TYR 17 -4.039 11.818 1.138 123 HA TYR 17 HA TYR 17 -6.385 10.092 1.029 124 HD1 TYR 17 HD1 TYR 17 -6.757 9.675 -1.391 125 HD2 TYR 17 HD2 TYR 17 -2.637 10.717 -1.281 126 HE1 TYR 17 HE1 TYR 17 -6.983 10.789 -3.571 127 HE2 TYR 17 HE2 TYR 17 -2.851 11.829 -3.457 128 HH TYR 17 HH TYR 17 -5.878 12.520 -4.875 129 HB2 TYR 17 HB2 TYR 17 -3.492 9.445 0.421 130 HB3 TYR 17 HB3 TYR 17 -4.883 8.430 0.061 131 H TYR 18 H TYR 18 -5.792 11.027 3.581 132 HA TYR 18 HA TYR 18 -4.301 9.330 5.213 133 HD1 TYR 18 HD2 TYR 18 -4.060 9.509 7.861 134 HD2 TYR 18 HD1 TYR 18 -8.188 10.422 7.362 135 HE1 TYR 18 HE2 TYR 18 -4.531 8.591 10.095 136 HE2 TYR 18 HE1 TYR 18 -8.666 9.507 9.594 137 HH TYR 18 HH TYR 18 -6.216 8.778 11.851 138 HB2 TYR 18 HB2 TYR 18 -5.042 11.353 6.169 139 HB3 TYR 18 HB3 TYR 18 -6.713 11.062 5.703 140 H ARG 19 H ARG 19 -4.572 7.370 5.962 141 HA ARG 19 HA ARG 19 -5.323 5.325 6.432 142 HE ARG 19 HE ARG 19 -10.828 7.675 6.447 143 HB2 ARG 19 HB2 ARG 19 -7.410 5.022 7.487 144 HB3 ARG 19 HB3 ARG 19 -6.863 6.632 7.928 145 HG2 ARG 19 HG2 ARG 19 -8.397 7.621 6.346 146 HG3 ARG 19 HG3 ARG 19 -8.885 6.023 5.784 147 HD2 ARG 19 HD2 ARG 19 -9.817 5.500 7.942 148 HD3 ARG 19 HD3 ARG 19 -9.224 7.021 8.606 149 HH11 ARG 19 HH11 ARG 19 -11.257 5.924 9.447 150 HH12 ARG 19 HH12 ARG 19 -12.869 6.522 9.721 151 HH21 ARG 19 HH21 ARG 19 -12.940 8.457 6.777 152 HH22 ARG 19 HH22 ARG 19 -13.845 7.940 8.174 153 H PHE 20 H PHE 20 -5.695 6.511 3.571 154 HA PHE 20 HA PHE 20 -7.579 4.628 2.470 155 HD1 PHE 20 HD1 PHE 20 -7.319 8.107 2.579 156 HD2 PHE 20 HD2 PHE 20 -8.447 5.620 -0.680 157 HE1 PHE 20 HE1 PHE 20 -9.342 9.466 2.257 158 HE2 PHE 20 HE2 PHE 20 -10.480 6.969 -1.014 159 HZ PHE 20 HZ PHE 20 -10.929 8.899 0.457 160 HB2 PHE 20 HB2 PHE 20 -5.677 6.620 1.293 161 HB3 PHE 20 HB3 PHE 20 -6.353 5.362 0.272 162 H GLU 21 H GLU 21 -6.964 2.958 0.956 163 HA GLU 21 HA GLU 21 -4.384 1.731 1.668 164 HB2 GLU 21 HB2 GLU 21 -7.000 0.319 1.078 165 HB3 GLU 21 HB3 GLU 21 -5.477 -0.462 1.488 166 HG2 GLU 21 HG2 GLU 21 -5.525 0.459 3.697 167 HG3 GLU 21 HG3 GLU 21 -6.925 1.454 3.302 168 H GLY 22 H GLY 22 -3.044 1.533 -0.007 169 HA2 GLY 22 HA2 GLY 22 -4.236 1.430 -2.711 170 HA3 GLY 22 HA3 GLY 22 -2.913 2.524 -2.336 171 H LEU 23 H LEU 23 -2.353 1.027 -4.368 172 HA LEU 23 HA LEU 23 -1.001 -1.389 -3.366 173 HG LEU 23 HG LEU 23 0.062 -2.455 -5.915 174 HB2 LEU 23 HB2 LEU 23 -2.741 -1.627 -5.166 175 HB3 LEU 23 HB3 LEU 23 -1.696 -0.690 -6.218 176 HD11 LEU 23 HD11 LEU 23 -0.685 -4.650 -5.099 177 HD12 LEU 23 HD12 LEU 23 -2.219 -3.933 -4.610 178 HD13 LEU 23 HD13 LEU 23 -0.720 -3.421 -3.836 179 HD21 LEU 23 HD21 LEU 23 -0.973 -4.027 -7.458 180 HD22 LEU 23 HD22 LEU 23 -1.363 -2.366 -7.901 181 HD23 LEU 23 HD23 LEU 23 -2.565 -3.365 -7.084 182 H VAL 24 H VAL 24 1.157 -1.306 -3.204 183 HA VAL 24 HA VAL 24 2.672 0.922 -4.127 184 HB VAL 24 HB VAL 24 3.693 -1.789 -3.253 185 HG11 VAL 24 HG11 VAL 24 5.080 0.888 -3.387 186 HG12 VAL 24 HG12 VAL 24 5.340 -0.462 -4.490 187 HG13 VAL 24 HG13 VAL 24 5.781 -0.616 -2.790 188 HG21 VAL 24 HG21 VAL 24 2.304 -0.748 -1.537 189 HG22 VAL 24 HG22 VAL 24 3.259 0.731 -1.651 190 HG23 VAL 24 HG23 VAL 24 4.001 -0.758 -1.061 191 H GLN 25 H GLN 25 3.423 1.317 -6.064 192 HA GLN 25 HA GLN 25 3.234 -0.780 -8.087 193 HB2 GLN 25 HB2 GLN 25 3.606 2.200 -8.218 194 HB3 GLN 25 HB3 GLN 25 3.807 1.178 -9.630 195 HG2 GLN 25 HG2 GLN 25 1.311 1.431 -7.969 196 HG3 GLN 25 HG3 GLN 25 1.581 2.147 -9.558 197 HE21 GLN 25 HE21 GLN 25 0.986 -0.790 -7.797 198 HE22 GLN 25 HE22 GLN 25 0.594 -1.776 -9.167 199 H ARG 26 H ARG 26 5.565 1.022 -6.329 200 HA ARG 26 HA ARG 26 7.690 -0.670 -7.090 201 HE ARG 26 HE ARG 26 7.559 5.117 -9.196 202 HB2 ARG 26 HB2 ARG 26 9.121 1.110 -8.129 203 HB3 ARG 26 HB3 ARG 26 7.781 0.570 -9.127 204 HG2 ARG 26 HG2 ARG 26 6.504 2.574 -8.346 205 HG3 ARG 26 HG3 ARG 26 7.989 3.136 -7.571 206 HD2 ARG 26 HD2 ARG 26 9.126 3.185 -9.691 207 HD3 ARG 26 HD3 ARG 26 7.730 2.480 -10.499 208 HH11 ARG 26 HH11 ARG 26 7.201 3.055 -11.998 209 HH12 ARG 26 HH12 ARG 26 6.471 4.289 -12.973 210 HH21 ARG 26 HH21 ARG 26 6.602 6.746 -10.471 211 HH22 ARG 26 HH22 ARG 26 6.154 6.396 -12.119 212 H VAL 27 H VAL 27 9.197 -0.644 -5.590 213 HA VAL 27 HA VAL 27 9.012 1.367 -3.457 214 HB VAL 27 HB VAL 27 10.354 -1.347 -3.376 215 HG11 VAL 27 HG11 VAL 27 9.669 0.590 -1.171 216 HG12 VAL 27 HG12 VAL 27 11.286 0.210 -1.764 217 HG13 VAL 27 HG13 VAL 27 10.333 -1.027 -0.942 218 HG21 VAL 27 HG21 VAL 27 8.429 -2.056 -2.017 219 HG22 VAL 27 HG22 VAL 27 7.974 -1.640 -3.669 220 HG23 VAL 27 HG23 VAL 27 7.646 -0.513 -2.353 221 H SER 28 H SER 28 10.886 2.354 -2.659 222 HA SER 28 HA SER 28 13.403 1.831 -4.047 223 HG SER 28 HG SER 28 11.175 4.220 -3.203 224 HB2 SER 28 HB2 SER 28 13.775 4.376 -4.066 225 HB3 SER 28 HB3 SER 28 12.668 3.722 -5.272 226 H ASP 29 H ASP 29 15.076 3.496 -2.802 227 HA ASP 29 HA ASP 29 15.124 2.391 -0.170 228 HB2 ASP 29 HB2 ASP 29 17.011 4.198 -1.670 229 HB3 ASP 29 HB3 ASP 29 17.279 3.742 0.010 230 H GLY 30 H GLY 30 13.190 3.365 0.561 231 HA2 GLY 30 HA2 GLY 30 12.943 4.775 2.584 232 HA3 GLY 30 HA3 GLY 30 13.697 6.065 1.659 233 H LYS 31 H LYS 31 12.142 5.139 -0.753 234 HA LYS 31 HA LYS 31 9.613 6.432 -0.022 235 HB2 LYS 31 HB2 LYS 31 11.234 6.577 -2.570 236 HB3 LYS 31 HB3 LYS 31 9.664 7.306 -2.347 237 HG2 LYS 31 HG2 LYS 31 10.523 8.813 -0.690 238 HG3 LYS 31 HG3 LYS 31 12.087 7.993 -0.713 239 HD2 LYS 31 HD2 LYS 31 10.851 9.416 -3.071 240 HD3 LYS 31 HD3 LYS 31 12.075 10.110 -2.005 241 HE2 LYS 31 HE2 LYS 31 13.638 8.344 -2.630 242 HE3 LYS 31 HE3 LYS 31 12.410 7.610 -3.662 243 HZ1 LYS 31 HZ1 LYS 31 14.017 8.956 -4.901 244 HZ2 LYS 31 HZ2 LYS 31 13.530 10.339 -4.046 245 HZ3 LYS 31 HZ3 LYS 31 12.435 9.545 -5.069 246 H ALA 32 H ALA 32 7.751 5.827 -1.299 247 HA ALA 32 HA ALA 32 7.958 3.458 -2.990 248 HB1 ALA 32 HB1 ALA 32 6.209 2.249 -1.793 249 HB2 ALA 32 HB2 ALA 32 6.145 3.523 -0.577 250 HB3 ALA 32 HB3 ALA 32 7.596 2.535 -0.742 251 H ALA 33 H ALA 33 6.408 3.428 -4.592 252 HA ALA 33 HA ALA 33 4.731 5.829 -4.737 253 HB1 ALA 33 HB1 ALA 33 5.410 3.789 -6.861 254 HB2 ALA 33 HB2 ALA 33 6.199 5.351 -6.635 255 HB3 ALA 33 HB3 ALA 33 4.501 5.281 -7.107 256 H VAL 34 H VAL 34 2.744 5.638 -3.979 257 HA VAL 34 HA VAL 34 1.438 3.012 -3.964 258 HB VAL 34 HB VAL 34 0.591 5.568 -2.586 259 HG11 VAL 34 HG11 VAL 34 -0.863 4.116 -1.264 260 HG12 VAL 34 HG12 VAL 34 -0.352 2.727 -2.224 261 HG13 VAL 34 HG13 VAL 34 -1.258 4.036 -2.981 262 HG21 VAL 34 HG21 VAL 34 2.716 4.815 -1.708 263 HG22 VAL 34 HG22 VAL 34 2.081 3.184 -1.498 264 HG23 VAL 34 HG23 VAL 34 1.438 4.513 -0.531 265 H LEU 35 H LEU 35 -0.079 2.546 -5.386 266 HA LEU 35 HA LEU 35 -1.153 4.664 -7.080 267 HG LEU 35 HG LEU 35 -3.158 2.995 -8.625 268 HB2 LEU 35 HB2 LEU 35 -0.247 2.533 -8.045 269 HB3 LEU 35 HB3 LEU 35 -1.565 1.689 -7.276 270 HD11 LEU 35 HD11 LEU 35 -2.358 4.296 -10.522 271 HD12 LEU 35 HD12 LEU 35 -0.692 4.028 -10.008 272 HD13 LEU 35 HD13 LEU 35 -1.785 4.976 -8.999 273 HD21 LEU 35 HD21 LEU 35 -1.066 1.516 -10.204 274 HD22 LEU 35 HD22 LEU 35 -2.711 1.860 -10.743 275 HD23 LEU 35 HD23 LEU 35 -2.439 0.793 -9.365 276 H PHE 36 H PHE 36 -2.975 5.583 -6.522 277 HA PHE 36 HA PHE 36 -5.012 4.048 -5.076 278 HD1 PHE 36 HD2 PHE 36 -5.441 5.199 -2.536 279 HD2 PHE 36 HD1 PHE 36 -2.845 7.682 -4.816 280 HE1 PHE 36 HE2 PHE 36 -4.040 5.544 -0.549 281 HE2 PHE 36 HE1 PHE 36 -1.432 8.029 -2.831 282 HZ PHE 36 HZ PHE 36 -2.030 6.954 -0.694 283 HB2 PHE 36 HB2 PHE 36 -4.919 7.008 -5.707 284 HB3 PHE 36 HB3 PHE 36 -6.124 6.203 -4.712 285 H GLU 37 H GLU 37 -7.039 3.714 -5.963 286 HA GLU 37 HA GLU 37 -7.417 4.491 -8.755 287 HB2 GLU 37 HB2 GLU 37 -6.315 2.257 -8.689 288 HB3 GLU 37 HB3 GLU 37 -7.674 1.651 -7.752 289 HG2 GLU 37 HG2 GLU 37 -9.160 2.271 -9.660 290 HG3 GLU 37 HG3 GLU 37 -7.705 2.638 -10.587 291 H ASN 38 H ASN 38 -9.500 4.826 -9.307 292 HA ASN 38 HA ASN 38 -11.656 3.672 -7.766 293 HB2 ASN 38 HB2 ASN 38 -10.973 5.888 -6.639 294 HB3 ASN 38 HB3 ASN 38 -11.631 6.675 -8.069 295 HD21 ASN 38 HD21 ASN 38 -12.338 4.821 -5.233 296 HD22 ASN 38 HD22 ASN 38 -14.050 5.075 -5.230 297 H GLY 39 H GLY 39 -11.757 2.647 -9.861 298 HA2 GLY 39 HA2 GLY 39 -12.866 2.347 -11.853 299 HA3 GLY 39 HA3 GLY 39 -13.661 3.892 -11.583 300 H ASN 40 H ASN 40 -13.126 5.528 -12.886 301 HA ASN 40 HA ASN 40 -10.986 5.137 -14.800 302 HB2 ASN 40 HB2 ASN 40 -13.116 7.235 -14.469 303 HB3 ASN 40 HB3 ASN 40 -11.795 7.446 -15.611 304 HD21 ASN 40 HD21 ASN 40 -11.667 6.104 -17.410 305 HD22 ASN 40 HD22 ASN 40 -13.033 5.183 -17.960 306 H TRP 41 H TRP 41 -11.374 6.591 -11.774 307 HA TRP 41 HA TRP 41 -9.335 8.609 -12.185 308 HD1 TRP 41 HD1 TRP 41 -9.530 11.279 -10.610 309 HE1 TRP 41 HE1 TRP 41 -8.028 12.091 -8.681 310 HE3 TRP 41 HE3 TRP 41 -9.461 7.020 -7.785 311 HZ2 TRP 41 HZ2 TRP 41 -6.962 11.057 -6.278 312 HZ3 TRP 41 HZ3 TRP 41 -8.183 7.017 -5.690 313 HH2 TRP 41 HH2 TRP 41 -6.959 8.993 -4.955 314 HB2 TRP 41 HB2 TRP 41 -11.208 9.178 -10.775 315 HB3 TRP 41 HB3 TRP 41 -10.900 7.804 -9.723 316 H ASP 42 H ASP 42 -7.352 8.610 -11.321 317 HA ASP 42 HA ASP 42 -6.398 6.344 -9.771 318 HB2 ASP 42 HB2 ASP 42 -4.651 5.705 -11.259 319 HB3 ASP 42 HB3 ASP 42 -6.110 5.769 -12.239 320 H LYS 43 H LYS 43 -4.165 6.728 -9.009 321 HA LYS 43 HA LYS 43 -2.984 9.309 -9.300 322 HB2 LYS 43 HB2 LYS 43 -5.061 9.200 -7.467 323 HB3 LYS 43 HB3 LYS 43 -3.628 9.001 -6.469 324 HG2 LYS 43 HG2 LYS 43 -4.130 11.268 -8.386 325 HG3 LYS 43 HG3 LYS 43 -4.306 11.339 -6.633 326 HD2 LYS 43 HD2 LYS 43 -1.879 10.714 -6.467 327 HD3 LYS 43 HD3 LYS 43 -1.777 10.923 -8.215 328 HE2 LYS 43 HE2 LYS 43 -1.030 12.937 -7.117 329 HE3 LYS 43 HE3 LYS 43 -2.550 13.249 -7.954 330 HZ1 LYS 43 HZ1 LYS 43 -2.192 12.797 -5.038 331 HZ2 LYS 43 HZ2 LYS 43 -3.695 12.943 -5.808 332 HZ3 LYS 43 HZ3 LYS 43 -2.618 14.250 -5.798 333 H LEU 44 H LEU 44 -0.955 8.578 -9.471 334 HA LEU 44 HA LEU 44 -0.011 6.550 -7.587 335 HG LEU 44 HG LEU 44 2.942 6.771 -8.323 336 HB2 LEU 44 HB2 LEU 44 0.482 6.248 -9.987 337 HB3 LEU 44 HB3 LEU 44 1.368 7.761 -9.988 338 HD11 LEU 44 HD11 LEU 44 2.948 4.326 -8.076 339 HD12 LEU 44 HD12 LEU 44 1.410 4.254 -8.937 340 HD13 LEU 44 HD13 LEU 44 1.512 5.075 -7.379 341 HD21 LEU 44 HD21 LEU 44 4.112 5.356 -9.952 342 HD22 LEU 44 HD22 LEU 44 3.507 6.843 -10.682 343 HD23 LEU 44 HD23 LEU 44 2.659 5.321 -10.950 344 H VAL 45 H VAL 45 0.562 7.415 -5.692 345 HA VAL 45 HA VAL 45 2.035 9.975 -5.717 346 HB VAL 45 HB VAL 45 0.535 8.815 -3.369 347 HG11 VAL 45 HG11 VAL 45 1.582 11.587 -3.920 348 HG12 VAL 45 HG12 VAL 45 2.295 10.410 -2.817 349 HG13 VAL 45 HG13 VAL 45 0.700 11.085 -2.478 350 HG21 VAL 45 HG21 VAL 45 -1.051 9.251 -5.161 351 HG22 VAL 45 HG22 VAL 45 -0.412 10.884 -5.343 352 HG23 VAL 45 HG23 VAL 45 -1.243 10.424 -3.857 353 H THR 46 H THR 46 4.107 9.895 -5.086 354 HA THR 46 HA THR 46 5.143 7.459 -3.912 355 HB THR 46 HB THR 46 6.763 9.938 -4.255 356 HG1 THR 46 HG1 THR 46 5.388 8.732 -6.241 357 HG21 THR 46 HG21 THR 46 8.535 8.342 -4.773 358 HG22 THR 46 HG22 THR 46 7.382 7.014 -4.662 359 HG23 THR 46 HG23 THR 46 7.778 7.960 -3.227 360 H PHE 47 H PHE 47 5.215 7.172 -1.841 361 HA PHE 47 HA PHE 47 5.238 9.481 -0.005 362 HD1 PHE 47 HD1 PHE 47 3.145 10.053 1.590 363 HD2 PHE 47 HD2 PHE 47 2.138 6.754 -0.898 364 HE1 PHE 47 HE1 PHE 47 0.922 11.030 1.200 365 HE2 PHE 47 HE2 PHE 47 -0.085 7.727 -1.295 366 HZ PHE 47 HZ PHE 47 -0.697 9.868 -0.246 367 HB2 PHE 47 HB2 PHE 47 4.103 6.698 0.343 368 HB3 PHE 47 HB3 PHE 47 4.343 7.802 1.689 369 H ARG 48 H ARG 48 6.030 8.272 2.293 370 HA ARG 48 HA ARG 48 8.647 7.145 1.613 371 HE ARG 48 HE ARG 48 10.746 11.390 1.757 372 HB2 ARG 48 HB2 ARG 48 7.719 8.367 4.221 373 HB3 ARG 48 HB3 ARG 48 9.337 7.793 3.868 374 HG2 ARG 48 HG2 ARG 48 7.937 10.141 2.620 375 HG3 ARG 48 HG3 ARG 48 9.324 10.175 3.712 376 HD2 ARG 48 HD2 ARG 48 10.669 9.013 2.036 377 HD3 ARG 48 HD3 ARG 48 9.283 8.965 0.949 378 HH11 ARG 48 HH11 ARG 48 8.534 9.735 -0.394 379 HH12 ARG 48 HH12 ARG 48 8.538 11.004 -1.584 380 HH21 ARG 48 HH21 ARG 48 10.786 13.037 0.197 381 HH22 ARG 48 HH22 ARG 48 9.830 12.883 -1.247 382 H LEU 49 H LEU 49 9.414 5.448 3.071 383 HA LEU 49 HA LEU 49 7.482 3.351 3.195 384 HG LEU 49 HG LEU 49 10.197 3.545 1.726 385 HB2 LEU 49 HB2 LEU 49 10.333 3.474 4.182 386 HB3 LEU 49 HB3 LEU 49 9.349 2.023 4.195 387 HD11 LEU 49 HD11 LEU 49 12.058 2.388 2.779 388 HD12 LEU 49 HD12 LEU 49 11.587 1.574 1.288 389 HD13 LEU 49 HD13 LEU 49 11.116 0.898 2.848 390 HD21 LEU 49 HD21 LEU 49 9.260 1.661 0.497 391 HD22 LEU 49 HD22 LEU 49 8.020 2.457 1.464 392 HD23 LEU 49 HD23 LEU 49 8.717 0.931 2.008 393 H SER 50 H SER 50 8.875 5.583 5.443 394 HA SER 50 HA SER 50 7.864 4.332 7.801 395 HG SER 50 HG SER 50 8.150 8.033 7.212 396 HB2 SER 50 HB2 SER 50 8.375 6.578 8.818 397 HB3 SER 50 HB3 SER 50 9.741 5.834 7.989 398 H GLU 51 H GLU 51 6.542 6.279 5.302 399 HA GLU 51 HA GLU 51 4.462 7.413 7.013 400 HB2 GLU 51 HB2 GLU 51 4.871 7.712 4.034 401 HB3 GLU 51 HB3 GLU 51 3.730 8.622 5.017 402 HG2 GLU 51 HG2 GLU 51 6.727 8.750 5.052 403 HG3 GLU 51 HG3 GLU 51 5.579 10.029 4.656 404 H LEU 52 H LEU 52 4.893 4.555 5.460 405 HA LEU 52 HA LEU 52 2.010 4.180 5.030 406 HG LEU 52 HG LEU 52 3.912 5.138 2.815 407 HB2 LEU 52 HB2 LEU 52 4.325 2.819 3.654 408 HB3 LEU 52 HB3 LEU 52 2.635 2.470 3.378 409 HD11 LEU 52 HD11 LEU 52 4.873 3.407 1.392 410 HD12 LEU 52 HD12 LEU 52 3.829 4.485 0.466 411 HD13 LEU 52 HD13 LEU 52 3.256 2.882 0.927 412 HD21 LEU 52 HD21 LEU 52 1.249 3.986 1.994 413 HD22 LEU 52 HD22 LEU 52 1.882 5.571 1.553 414 HD23 LEU 52 HD23 LEU 52 1.498 5.213 3.237 415 H GLU 53 H GLU 53 1.070 2.391 5.956 416 HA GLU 53 HA GLU 53 2.869 0.648 7.498 417 HB2 GLU 53 HB2 GLU 53 0.888 -0.013 8.806 418 HB3 GLU 53 HB3 GLU 53 1.177 1.717 8.899 419 HG2 GLU 53 HG2 GLU 53 -0.615 2.165 7.387 420 HG3 GLU 53 HG3 GLU 53 -0.824 0.449 7.046 421 H ALA 54 H ALA 54 3.068 -1.423 6.928 422 HA ALA 54 HA ALA 54 1.917 -2.310 4.475 423 HB1 ALA 54 HB1 ALA 54 4.135 -3.031 5.137 424 HB2 ALA 54 HB2 ALA 54 3.073 -4.427 4.957 425 HB3 ALA 54 HB3 ALA 54 3.474 -3.827 6.566 426 H VAL 55 H VAL 55 0.007 -3.235 4.169 427 HA VAL 55 HA VAL 55 -1.598 -4.012 6.451 428 HB VAL 55 HB VAL 55 -2.399 -4.488 3.595 429 HG11 VAL 55 HG11 VAL 55 -4.648 -4.059 4.444 430 HG12 VAL 55 HG12 VAL 55 -3.983 -3.757 6.050 431 HG13 VAL 55 HG13 VAL 55 -3.856 -5.362 5.330 432 HG21 VAL 55 HG21 VAL 55 -1.570 -2.196 3.651 433 HG22 VAL 55 HG22 VAL 55 -2.592 -1.850 5.046 434 HG23 VAL 55 HG23 VAL 55 -3.325 -2.220 3.485 435 H LYS 56 H LYS 56 -2.803 -6.169 6.197 436 HA LYS 56 HA LYS 56 -0.738 -8.190 6.025 437 HB2 LYS 56 HB2 LYS 56 -3.571 -8.281 7.082 438 HB3 LYS 56 HB3 LYS 56 -2.464 -9.637 7.101 439 HG2 LYS 56 HG2 LYS 56 -2.388 -8.741 9.263 440 HG3 LYS 56 HG3 LYS 56 -0.910 -8.188 8.476 441 HD2 LYS 56 HD2 LYS 56 -2.018 -6.025 8.001 442 HD3 LYS 56 HD3 LYS 56 -3.442 -6.589 8.875 443 HE2 LYS 56 HE2 LYS 56 -2.105 -6.813 10.913 444 HE3 LYS 56 HE3 LYS 56 -0.676 -6.269 10.035 445 HZ1 LYS 56 HZ1 LYS 56 -1.601 -4.450 11.269 446 HZ2 LYS 56 HZ2 LYS 56 -3.128 -4.677 10.566 447 HZ3 LYS 56 HZ3 LYS 56 -1.829 -4.150 9.616 448 HA PRO 57 HA PRO 57 -2.210 -9.509 2.050 449 HB2 PRO 57 HB2 PRO 57 -0.874 -11.867 1.921 450 HB3 PRO 57 HB3 PRO 57 -0.082 -10.305 1.685 451 HG2 PRO 57 HG2 PRO 57 -0.170 -12.039 4.124 452 HG3 PRO 57 HG3 PRO 57 1.200 -11.148 3.436 453 HD2 PRO 57 HD2 PRO 57 -0.224 -10.242 5.558 454 HD3 PRO 57 HD3 PRO 57 0.540 -9.154 4.381 455 H ILE 58 H ILE 58 -3.104 -11.661 1.108 456 HA ILE 58 HA ILE 58 -5.352 -12.457 2.649 457 HB ILE 58 HB ILE 58 -4.321 -14.062 0.330 458 HG12 ILE 58 HG12 ILE 58 -5.848 -11.457 0.136 459 HG13 ILE 58 HG13 ILE 58 -4.157 -11.672 -0.305 460 HG21 ILE 58 HG21 ILE 58 -7.086 -13.330 1.265 461 HG22 ILE 58 HG22 ILE 58 -6.282 -14.883 1.499 462 HG23 ILE 58 HG23 ILE 58 -6.710 -14.347 -0.127 463 HD11 ILE 58 HD11 ILE 58 -4.804 -13.212 -2.074 464 HD12 ILE 58 HD12 ILE 58 -5.611 -11.654 -2.260 465 HD13 ILE 58 HD13 ILE 58 -6.499 -13.037 -1.618 466 H LEU 59 H LEU 59 -5.804 -14.609 3.418 467 HA LEU 59 HA LEU 59 -3.490 -15.654 4.807 468 HG LEU 59 HG LEU 59 -5.905 -14.154 5.998 469 HB2 LEU 59 HB2 LEU 59 -6.421 -16.332 5.000 470 HB3 LEU 59 HB3 LEU 59 -5.176 -17.082 5.978 471 HD11 LEU 59 HD11 LEU 59 -6.726 -14.625 8.253 472 HD12 LEU 59 HD12 LEU 59 -6.363 -16.337 8.025 473 HD13 LEU 59 HD13 LEU 59 -7.597 -15.557 7.035 474 HD21 LEU 59 HD21 LEU 59 -4.374 -14.013 7.910 475 HD22 LEU 59 HD22 LEU 59 -3.534 -14.477 6.430 476 HD23 LEU 59 HD23 LEU 59 -3.906 -15.694 7.650 477 H GLU 60 H GLU 60 -2.267 -16.893 3.541 478 HA GLU 60 HA GLU 60 -3.127 -18.836 1.716 479 HB2 GLU 60 HB2 GLU 60 -0.762 -17.895 2.142 480 HB3 GLU 60 HB3 GLU 60 -0.656 -19.072 3.438 481 HG2 GLU 60 HG2 GLU 60 -1.311 -19.897 0.637 482 HG3 GLU 60 HG3 GLU 60 0.354 -19.655 1.158 483 H HIS 61 H HIS 61 -4.122 -20.753 2.044 484 HA HIS 61 HA HIS 61 -5.317 -21.115 4.579 485 HD1 HIS 61 HD1 HIS 61 -6.325 -21.180 0.463 486 HD2 HIS 61 HD2 HIS 61 -8.278 -21.111 4.136 487 HE1 HIS 61 HE1 HIS 61 -8.319 -19.673 0.148 488 HE2 HIS 61 HE2 HIS 61 -9.430 -19.559 2.410 489 HB2 HIS 61 HB2 HIS 61 -5.368 -22.815 2.094 490 HB3 HIS 61 HB3 HIS 61 -6.322 -23.172 3.530 491 H HIS 62 H HIS 62 -2.493 -22.571 3.151 492 HA HIS 62 HA HIS 62 -2.482 -24.629 5.252 493 HD1 HIS 62 HD1 HIS 62 -2.588 -24.841 0.994 494 HD2 HIS 62 HD2 HIS 62 -2.720 -27.439 4.240 495 HE1 HIS 62 HE1 HIS 62 -4.195 -26.658 0.343 496 HE2 HIS 62 HE2 HIS 62 -4.464 -28.049 2.430 497 HB2 HIS 62 HB2 HIS 62 -0.853 -24.314 2.730 498 HB3 HIS 62 HB3 HIS 62 -0.533 -25.550 3.942 499 H HIS 63 H HIS 63 -1.652 -21.569 5.130 500 HA HIS 63 HA HIS 63 1.072 -21.702 6.087 501 HD1 HIS 63 HD1 HIS 63 2.610 -19.127 4.808 502 HD2 HIS 63 HD2 HIS 63 0.594 -18.255 8.341 503 HE1 HIS 63 HE1 HIS 63 4.165 -17.656 6.136 504 HE2 HIS 63 HE2 HIS 63 2.840 -16.984 8.170 505 HB2 HIS 63 HB2 HIS 63 0.162 -19.771 4.758 506 HB3 HIS 63 HB3 HIS 63 -0.836 -19.353 6.144 507 H HIS 64 H HIS 64 1.539 -22.317 8.088 508 HA HIS 64 HA HIS 64 -0.506 -22.189 10.162 509 HD1 HIS 64 HD1 HIS 64 2.090 -25.666 8.961 510 HD2 HIS 64 HD2 HIS 64 -1.543 -24.574 10.668 511 HE1 HIS 64 HE1 HIS 64 0.497 -27.537 8.429 512 HE2 HIS 64 HE2 HIS 64 -1.621 -26.952 9.658 513 HB2 HIS 64 HB2 HIS 64 2.226 -23.477 10.062 514 HB3 HIS 64 HB3 HIS 64 1.228 -23.456 11.512 515 H HIS 65 H HIS 65 0.451 -21.688 12.430 516 HA HIS 65 HA HIS 65 2.237 -19.351 12.243 517 HD1 HIS 65 HD1 HIS 65 0.871 -19.703 16.236 518 HD2 HIS 65 HD2 HIS 65 -2.199 -20.286 13.477 519 HE1 HIS 65 HE1 HIS 65 -0.959 -20.887 17.490 520 HE2 HIS 65 HE2 HIS 65 -2.859 -21.103 15.848 521 HB2 HIS 65 HB2 HIS 65 1.015 -18.245 14.017 522 HB3 HIS 65 HB3 HIS 65 -0.110 -18.656 12.731 523 H HIS 66 H HIS 66 3.431 -18.936 14.250 524 HA HIS 66 HA HIS 66 3.931 -21.425 15.732 525 HD1 HIS 66 HD1 HIS 66 6.511 -17.869 16.886 526 HD2 HIS 66 HD2 HIS 66 5.628 -18.579 12.880 527 HE1 HIS 66 HE1 HIS 66 6.960 -15.697 15.696 528 HE2 HIS 66 HE2 HIS 66 6.573 -16.194 13.245 529 HB2 HIS 66 HB2 HIS 66 6.134 -20.316 16.356 530 HB3 HIS 66 HB3 HIS 66 5.960 -20.773 14.668 Start of MODEL 19 1 HA MET 1 HA MET 1 8.361 -2.863 5.679 2 H1 MET 1 H1 MET 1 7.633 -4.263 7.523 3 H2 MET 1 H2 MET 1 6.725 -5.205 6.444 4 H3 MET 1 H3 MET 1 6.336 -3.571 6.672 5 HB2 MET 1 HB2 MET 1 9.857 -4.555 4.616 6 HB3 MET 1 HB3 MET 1 9.849 -4.623 6.370 7 HG2 MET 1 HG2 MET 1 8.265 -6.526 6.234 8 HG3 MET 1 HG3 MET 1 8.441 -6.493 4.480 9 HE1 MET 1 HE1 MET 1 11.868 -7.457 7.424 10 HE2 MET 1 HE2 MET 1 10.209 -7.122 7.912 11 HE3 MET 1 HE3 MET 1 11.201 -5.834 7.225 12 H ILE 2 H ILE 2 7.873 -2.074 3.746 13 HA ILE 2 HA ILE 2 5.633 -3.268 2.343 14 HB ILE 2 HB ILE 2 7.075 -0.678 1.800 15 HG12 ILE 2 HG12 ILE 2 4.510 -1.180 3.322 16 HG13 ILE 2 HG13 ILE 2 6.055 -0.760 4.054 17 HG21 ILE 2 HG21 ILE 2 4.422 -1.719 0.834 18 HG22 ILE 2 HG22 ILE 2 5.867 -1.446 -0.140 19 HG23 ILE 2 HG23 ILE 2 5.019 -0.079 0.581 20 HD11 ILE 2 HD11 ILE 2 4.469 0.966 2.168 21 HD12 ILE 2 HD12 ILE 2 6.014 1.390 2.905 22 HD13 ILE 2 HD13 ILE 2 4.586 1.169 3.917 23 H PHE 3 H PHE 3 5.600 -3.930 0.258 24 HA PHE 3 HA PHE 3 8.080 -3.919 -1.303 25 HD1 PHE 3 HD1 PHE 3 9.949 -5.772 -1.145 26 HD2 PHE 3 HD2 PHE 3 6.708 -7.089 1.276 27 HE1 PHE 3 HE1 PHE 3 11.546 -6.567 0.548 28 HE2 PHE 3 HE2 PHE 3 8.297 -7.889 2.976 29 HZ PHE 3 HZ PHE 3 10.722 -7.627 2.613 30 HB2 PHE 3 HB2 PHE 3 6.290 -6.328 -0.864 31 HB3 PHE 3 HB3 PHE 3 7.588 -6.252 -2.049 32 HA PRO 4 HA PRO 4 5.404 -2.681 -4.621 33 HB2 PRO 4 HB2 PRO 4 6.502 -4.052 -6.735 34 HB3 PRO 4 HB3 PRO 4 7.151 -2.543 -6.085 35 HG2 PRO 4 HG2 PRO 4 8.033 -5.352 -5.607 36 HG3 PRO 4 HG3 PRO 4 9.010 -3.887 -5.802 37 HD2 PRO 4 HD2 PRO 4 8.530 -4.998 -3.383 38 HD3 PRO 4 HD3 PRO 4 8.717 -3.246 -3.606 39 H GLY 5 H GLY 5 3.447 -3.343 -5.264 40 HA2 GLY 5 HA2 GLY 5 1.920 -4.904 -6.197 41 HA3 GLY 5 HA3 GLY 5 2.966 -6.212 -5.657 42 H ALA 6 H ALA 6 2.967 -4.277 -3.090 43 HA ALA 6 HA ALA 6 0.870 -5.852 -1.799 44 HB1 ALA 6 HB1 ALA 6 3.115 -5.852 -0.807 45 HB2 ALA 6 HB2 ALA 6 1.905 -5.195 0.295 46 HB3 ALA 6 HB3 ALA 6 2.998 -4.109 -0.563 47 H THR 7 H THR 7 -0.783 -4.951 -0.596 48 HA THR 7 HA THR 7 -1.585 -2.277 -1.373 49 HB THR 7 HB THR 7 -3.048 -4.167 0.464 50 HG1 THR 7 HG1 THR 7 -4.157 -4.261 -1.917 51 HG21 THR 7 HG21 THR 7 -3.864 -1.871 0.465 52 HG22 THR 7 HG22 THR 7 -5.028 -2.942 -0.313 53 HG23 THR 7 HG23 THR 7 -3.994 -1.905 -1.293 54 H VAL 8 H VAL 8 -1.343 -0.539 -0.142 55 HA VAL 8 HA VAL 8 -0.651 -0.921 2.689 56 HB VAL 8 HB VAL 8 0.857 1.048 2.512 57 HG11 VAL 8 HG11 VAL 8 1.553 -1.322 0.784 58 HG12 VAL 8 HG12 VAL 8 1.780 -1.190 2.527 59 HG13 VAL 8 HG13 VAL 8 2.711 -0.162 1.437 60 HG21 VAL 8 HG21 VAL 8 1.654 1.726 0.288 61 HG22 VAL 8 HG22 VAL 8 -0.063 2.064 0.512 62 HG23 VAL 8 HG23 VAL 8 0.444 0.676 -0.450 63 H ARG 9 H ARG 9 -1.318 0.649 4.111 64 HA ARG 9 HA ARG 9 -3.402 2.451 3.074 65 HE ARG 9 HE ARG 9 -4.596 0.919 7.758 66 HB2 ARG 9 HB2 ARG 9 -4.334 0.786 4.545 67 HB3 ARG 9 HB3 ARG 9 -3.107 1.104 5.761 68 HG2 ARG 9 HG2 ARG 9 -4.085 3.114 6.396 69 HG3 ARG 9 HG3 ARG 9 -5.014 3.244 4.900 70 HD2 ARG 9 HD2 ARG 9 -6.351 2.601 6.918 71 HD3 ARG 9 HD3 ARG 9 -6.474 1.486 5.558 72 HH11 ARG 9 HH11 ARG 9 -7.393 0.028 5.823 73 HH12 ARG 9 HH12 ARG 9 -7.535 -1.544 6.558 74 HH21 ARG 9 HH21 ARG 9 -4.801 -1.150 8.699 75 HH22 ARG 9 HH22 ARG 9 -6.088 -2.209 8.186 76 H VAL 10 H VAL 10 -3.205 4.582 3.408 77 HA VAL 10 HA VAL 10 -0.703 5.570 4.411 78 HB VAL 10 HB VAL 10 -3.135 7.163 3.576 79 HG11 VAL 10 HG11 VAL 10 -1.539 8.973 3.206 80 HG12 VAL 10 HG12 VAL 10 -0.227 7.941 3.777 81 HG13 VAL 10 HG13 VAL 10 -1.510 8.432 4.886 82 HG21 VAL 10 HG21 VAL 10 -2.066 7.364 1.388 83 HG22 VAL 10 HG22 VAL 10 -2.414 5.680 1.771 84 HG23 VAL 10 HG23 VAL 10 -0.768 6.294 1.916 85 H THR 11 H THR 11 -0.510 5.309 6.585 86 HA THR 11 HA THR 11 -2.637 6.380 8.293 87 HB THR 11 HB THR 11 -1.136 5.337 10.129 88 HG1 THR 11 HG1 THR 11 0.174 3.641 9.359 89 HG21 THR 11 HG21 THR 11 -2.574 3.578 8.141 90 HG22 THR 11 HG22 THR 11 -3.333 4.478 9.455 91 HG23 THR 11 HG23 THR 11 -2.209 3.167 9.817 92 H ASN 12 H ASN 12 -0.126 7.591 6.756 93 HA ASN 12 HA ASN 12 1.210 9.064 8.797 94 HB2 ASN 12 HB2 ASN 12 2.239 8.660 6.591 95 HB3 ASN 12 HB3 ASN 12 0.983 9.631 5.828 96 HD21 ASN 12 HD21 ASN 12 2.537 11.031 4.984 97 HD22 ASN 12 HD22 ASN 12 3.355 12.193 5.963 98 H VAL 13 H VAL 13 -0.002 10.288 10.082 99 HA VAL 13 HA VAL 13 -2.548 11.266 9.428 100 HB VAL 13 HB VAL 13 -0.748 12.244 11.640 101 HG11 VAL 13 HG11 VAL 13 -3.753 12.284 11.378 102 HG12 VAL 13 HG12 VAL 13 -2.680 13.682 11.310 103 HG13 VAL 13 HG13 VAL 13 -2.846 12.768 12.810 104 HG21 VAL 13 HG21 VAL 13 -2.663 9.919 11.589 105 HG22 VAL 13 HG22 VAL 13 -1.879 10.548 13.037 106 HG23 VAL 13 HG23 VAL 13 -0.908 9.841 11.746 107 H ASP 14 H ASP 14 0.596 12.715 9.089 108 HA ASP 14 HA ASP 14 -0.404 15.412 8.907 109 HB2 ASP 14 HB2 ASP 14 1.809 14.927 9.868 110 HB3 ASP 14 HB3 ASP 14 2.348 14.303 8.314 111 H ASP 15 H ASP 15 -0.421 12.866 6.771 112 HA ASP 15 HA ASP 15 0.301 14.430 4.425 113 HB2 ASP 15 HB2 ASP 15 0.970 12.023 4.666 114 HB3 ASP 15 HB3 ASP 15 -0.733 11.593 4.505 115 H THR 16 H THR 16 -1.150 14.402 2.511 116 HA THR 16 HA THR 16 -3.686 15.513 3.255 117 HB THR 16 HB THR 16 -2.719 14.950 0.456 118 HG1 THR 16 HG1 THR 16 -2.055 17.125 2.196 119 HG21 THR 16 HG21 THR 16 -4.490 17.103 1.618 120 HG22 THR 16 HG22 THR 16 -5.022 15.731 0.645 121 HG23 THR 16 HG23 THR 16 -4.005 16.981 -0.073 122 H TYR 17 H TYR 17 -2.568 12.426 2.059 123 HA TYR 17 HA TYR 17 -5.337 11.665 1.420 124 HD1 TYR 17 HD1 TYR 17 -5.977 11.012 -1.147 125 HD2 TYR 17 HD2 TYR 17 -1.931 12.287 -0.850 126 HE1 TYR 17 HE1 TYR 17 -6.292 12.442 -3.120 127 HE2 TYR 17 HE2 TYR 17 -2.235 13.730 -2.819 128 HH TYR 17 HH TYR 17 -5.267 14.516 -4.061 129 HB2 TYR 17 HB2 TYR 17 -2.702 10.509 0.509 130 HB3 TYR 17 HB3 TYR 17 -4.259 9.744 0.188 131 H TYR 18 H TYR 18 -4.147 11.798 4.096 132 HA TYR 18 HA TYR 18 -3.794 9.160 5.078 133 HD1 TYR 18 HD2 TYR 18 -3.372 8.304 7.285 134 HD2 TYR 18 HD1 TYR 18 -5.397 11.826 8.532 135 HE1 TYR 18 HE2 TYR 18 -3.930 7.220 9.417 136 HE2 TYR 18 HE1 TYR 18 -5.965 10.751 10.669 137 HH TYR 18 HH TYR 18 -4.610 7.668 11.587 138 HB2 TYR 18 HB2 TYR 18 -2.943 10.955 6.404 139 HB3 TYR 18 HB3 TYR 18 -4.499 11.772 6.418 140 H ARG 19 H ARG 19 -5.496 8.054 4.040 141 HA ARG 19 HA ARG 19 -7.589 7.291 5.599 142 HE ARG 19 HE ARG 19 -8.998 11.546 1.508 143 HB2 ARG 19 HB2 ARG 19 -9.591 8.265 4.561 144 HB3 ARG 19 HB3 ARG 19 -8.611 9.492 5.344 145 HG2 ARG 19 HG2 ARG 19 -7.732 10.177 3.170 146 HG3 ARG 19 HG3 ARG 19 -8.713 8.939 2.384 147 HD2 ARG 19 HD2 ARG 19 -10.744 10.002 3.249 148 HD3 ARG 19 HD3 ARG 19 -9.766 11.240 4.031 149 HH11 ARG 19 HH11 ARG 19 -12.200 11.122 2.859 150 HH12 ARG 19 HH12 ARG 19 -12.989 12.044 1.622 151 HH21 ARG 19 HH21 ARG 19 -10.047 12.768 -0.145 152 HH22 ARG 19 HH22 ARG 19 -11.777 12.962 -0.091 153 H PHE 20 H PHE 20 -6.241 7.704 2.435 154 HA PHE 20 HA PHE 20 -7.950 5.675 1.264 155 HD1 PHE 20 HD2 PHE 20 -9.123 6.139 -0.827 156 HD2 PHE 20 HD1 PHE 20 -6.666 9.533 -0.094 157 HE1 PHE 20 HE2 PHE 20 -10.953 7.614 -1.553 158 HE2 PHE 20 HE1 PHE 20 -8.495 11.014 -0.813 159 HZ PHE 20 HZ PHE 20 -10.640 10.055 -1.546 160 HB2 PHE 20 HB2 PHE 20 -5.772 7.439 0.171 161 HB3 PHE 20 HB3 PHE 20 -6.465 6.126 -0.770 162 H GLU 21 H GLU 21 -7.108 3.848 0.144 163 HA GLU 21 HA GLU 21 -4.555 2.819 1.206 164 HB2 GLU 21 HB2 GLU 21 -7.058 1.201 0.652 165 HB3 GLU 21 HB3 GLU 21 -5.557 0.607 1.349 166 HG2 GLU 21 HG2 GLU 21 -5.906 1.865 3.353 167 HG3 GLU 21 HG3 GLU 21 -7.290 2.695 2.646 168 H GLY 22 H GLY 22 -3.210 1.892 -0.339 169 HA2 GLY 22 HA2 GLY 22 -4.281 1.586 -3.059 170 HA3 GLY 22 HA3 GLY 22 -2.983 2.745 -2.813 171 H LEU 23 H LEU 23 -2.287 0.975 -4.574 172 HA LEU 23 HA LEU 23 -0.885 -1.168 -3.139 173 HG LEU 23 HG LEU 23 -2.382 -2.973 -3.708 174 HB2 LEU 23 HB2 LEU 23 -1.965 -0.991 -5.939 175 HB3 LEU 23 HB3 LEU 23 -0.751 -2.163 -5.499 176 HD11 LEU 23 HD11 LEU 23 -3.862 -1.033 -3.711 177 HD12 LEU 23 HD12 LEU 23 -4.742 -2.509 -4.107 178 HD13 LEU 23 HD13 LEU 23 -4.312 -1.368 -5.382 179 HD21 LEU 23 HD21 LEU 23 -1.932 -4.253 -5.711 180 HD22 LEU 23 HD22 LEU 23 -3.082 -3.278 -6.626 181 HD23 LEU 23 HD23 LEU 23 -3.654 -4.325 -5.327 182 H VAL 24 H VAL 24 1.267 -1.160 -3.149 183 HA VAL 24 HA VAL 24 2.725 1.039 -4.218 184 HB VAL 24 HB VAL 24 3.745 -1.587 -3.116 185 HG11 VAL 24 HG11 VAL 24 5.420 -0.423 -4.484 186 HG12 VAL 24 HG12 VAL 24 5.855 -0.415 -2.776 187 HG13 VAL 24 HG13 VAL 24 5.188 1.037 -3.520 188 HG21 VAL 24 HG21 VAL 24 3.328 1.092 -1.800 189 HG22 VAL 24 HG22 VAL 24 4.073 -0.318 -1.049 190 HG23 VAL 24 HG23 VAL 24 2.374 -0.364 -1.523 191 H GLN 25 H GLN 25 3.548 1.325 -6.156 192 HA GLN 25 HA GLN 25 3.425 -0.888 -8.071 193 HB2 GLN 25 HB2 GLN 25 3.671 2.093 -8.313 194 HB3 GLN 25 HB3 GLN 25 4.064 1.052 -9.672 195 HG2 GLN 25 HG2 GLN 25 1.419 1.085 -8.237 196 HG3 GLN 25 HG3 GLN 25 1.764 1.931 -9.746 197 HE21 GLN 25 HE21 GLN 25 1.260 -1.156 -8.241 198 HE22 GLN 25 HE22 GLN 25 1.064 -2.067 -9.701 199 H ARG 26 H ARG 26 5.680 1.056 -6.341 200 HA ARG 26 HA ARG 26 7.928 -0.456 -7.202 201 HE ARG 26 HE ARG 26 9.505 4.527 -8.845 202 HB2 ARG 26 HB2 ARG 26 9.129 1.515 -8.226 203 HB3 ARG 26 HB3 ARG 26 7.828 0.841 -9.199 204 HG2 ARG 26 HG2 ARG 26 6.339 2.641 -8.406 205 HG3 ARG 26 HG3 ARG 26 7.694 3.335 -7.514 206 HD2 ARG 26 HD2 ARG 26 7.707 2.864 -10.487 207 HD3 ARG 26 HD3 ARG 26 7.225 4.386 -9.742 208 HH11 ARG 26 HH11 ARG 26 8.936 2.266 -11.448 209 HH12 ARG 26 HH12 ARG 26 10.539 2.426 -12.113 210 HH21 ARG 26 HH21 ARG 26 11.614 4.730 -9.674 211 HH22 ARG 26 HH22 ARG 26 12.073 3.825 -11.092 212 H VAL 27 H VAL 27 9.391 -0.413 -5.671 213 HA VAL 27 HA VAL 27 9.276 1.670 -3.611 214 HB VAL 27 HB VAL 27 10.815 -0.942 -3.655 215 HG11 VAL 27 HG11 VAL 27 10.457 1.078 -1.441 216 HG12 VAL 27 HG12 VAL 27 11.950 0.739 -2.316 217 HG13 VAL 27 HG13 VAL 27 11.239 -0.495 -1.277 218 HG21 VAL 27 HG21 VAL 27 8.329 -0.156 -2.133 219 HG22 VAL 27 HG22 VAL 27 9.194 -1.685 -1.979 220 HG23 VAL 27 HG23 VAL 27 8.399 -1.270 -3.498 221 H SER 28 H SER 28 10.864 3.170 -3.410 222 HA SER 28 HA SER 28 13.088 3.000 -5.339 223 HG SER 28 HG SER 28 13.861 5.793 -5.442 224 HB2 SER 28 HB2 SER 28 11.218 4.772 -5.651 225 HB3 SER 28 HB3 SER 28 11.963 5.584 -4.275 226 H ASP 29 H ASP 29 13.148 1.904 -2.762 227 HA ASP 29 HA ASP 29 14.452 1.727 -0.926 228 HB2 ASP 29 HB2 ASP 29 16.120 3.702 -2.475 229 HB3 ASP 29 HB3 ASP 29 16.625 3.048 -0.920 230 H GLY 30 H GLY 30 13.257 2.385 0.739 231 HA2 GLY 30 HA2 GLY 30 12.856 3.736 2.597 232 HA3 GLY 30 HA3 GLY 30 13.714 5.050 1.799 233 H LYS 31 H LYS 31 12.179 4.792 -0.646 234 HA LYS 31 HA LYS 31 9.596 5.888 0.259 235 HB2 LYS 31 HB2 LYS 31 11.497 7.321 -0.981 236 HB3 LYS 31 HB3 LYS 31 10.722 6.630 -2.394 237 HG2 LYS 31 HG2 LYS 31 8.587 7.579 -1.682 238 HG3 LYS 31 HG3 LYS 31 9.380 8.296 -0.278 239 HD2 LYS 31 HD2 LYS 31 10.025 8.882 -3.169 240 HD3 LYS 31 HD3 LYS 31 9.114 9.930 -2.083 241 HE2 LYS 31 HE2 LYS 31 11.068 10.190 -0.661 242 HE3 LYS 31 HE3 LYS 31 11.977 9.071 -1.677 243 HZ1 LYS 31 HZ1 LYS 31 10.888 11.699 -2.546 244 HZ2 LYS 31 HZ2 LYS 31 11.766 10.623 -3.518 245 HZ3 LYS 31 HZ3 LYS 31 12.514 11.371 -2.193 246 H ALA 32 H ALA 32 7.894 5.684 -1.460 247 HA ALA 32 HA ALA 32 8.213 3.583 -3.416 248 HB1 ALA 32 HB1 ALA 32 6.481 2.121 -2.491 249 HB2 ALA 32 HB2 ALA 32 6.385 3.143 -1.057 250 HB3 ALA 32 HB3 ALA 32 7.864 2.247 -1.404 251 H ALA 33 H ALA 33 6.538 3.555 -4.935 252 HA ALA 33 HA ALA 33 4.838 5.941 -4.849 253 HB1 ALA 33 HB1 ALA 33 4.502 5.562 -7.237 254 HB2 ALA 33 HB2 ALA 33 5.423 4.062 -7.143 255 HB3 ALA 33 HB3 ALA 33 6.220 5.606 -6.848 256 H VAL 34 H VAL 34 2.873 5.709 -4.086 257 HA VAL 34 HA VAL 34 1.636 3.065 -4.062 258 HB VAL 34 HB VAL 34 0.734 5.613 -2.705 259 HG11 VAL 34 HG11 VAL 34 -0.683 4.124 -1.361 260 HG12 VAL 34 HG12 VAL 34 -0.158 2.752 -2.337 261 HG13 VAL 34 HG13 VAL 34 -1.096 4.052 -3.074 262 HG21 VAL 34 HG21 VAL 34 2.874 4.911 -1.834 263 HG22 VAL 34 HG22 VAL 34 2.283 3.265 -1.623 264 HG23 VAL 34 HG23 VAL 34 1.613 4.573 -0.651 265 H LEU 35 H LEU 35 0.094 2.524 -5.430 266 HA LEU 35 HA LEU 35 -1.034 4.588 -7.165 267 HG LEU 35 HG LEU 35 -2.874 2.795 -8.792 268 HB2 LEU 35 HB2 LEU 35 0.040 2.526 -8.113 269 HB3 LEU 35 HB3 LEU 35 -1.256 1.603 -7.401 270 HD11 LEU 35 HD11 LEU 35 -0.450 4.087 -10.029 271 HD12 LEU 35 HD12 LEU 35 -1.679 4.901 -9.062 272 HD13 LEU 35 HD13 LEU 35 -2.101 4.216 -10.631 273 HD21 LEU 35 HD21 LEU 35 -0.605 1.533 -10.316 274 HD22 LEU 35 HD22 LEU 35 -2.242 1.766 -10.926 275 HD23 LEU 35 HD23 LEU 35 -1.954 0.682 -9.564 276 H PHE 36 H PHE 36 -2.797 5.439 -6.380 277 HA PHE 36 HA PHE 36 -4.807 3.797 -5.048 278 HD1 PHE 36 HD2 PHE 36 -5.135 4.842 -2.536 279 HD2 PHE 36 HD1 PHE 36 -2.916 7.669 -4.814 280 HE1 PHE 36 HE2 PHE 36 -3.736 5.322 -0.567 281 HE2 PHE 36 HE1 PHE 36 -1.510 8.152 -2.855 282 HZ PHE 36 HZ PHE 36 -1.921 6.979 -0.726 283 HB2 PHE 36 HB2 PHE 36 -4.870 6.753 -5.696 284 HB3 PHE 36 HB3 PHE 36 -6.007 5.887 -4.672 285 H GLU 37 H GLU 37 -6.818 3.392 -5.942 286 HA GLU 37 HA GLU 37 -7.508 4.385 -8.552 287 HB2 GLU 37 HB2 GLU 37 -5.893 2.532 -9.023 288 HB3 GLU 37 HB3 GLU 37 -6.957 1.428 -8.171 289 HG2 GLU 37 HG2 GLU 37 -7.973 2.988 -10.505 290 HG3 GLU 37 HG3 GLU 37 -7.007 1.536 -10.754 291 H ASN 38 H ASN 38 -9.637 4.596 -8.622 292 HA ASN 38 HA ASN 38 -11.375 2.710 -7.278 293 HB2 ASN 38 HB2 ASN 38 -10.699 4.397 -5.519 294 HB3 ASN 38 HB3 ASN 38 -11.508 5.623 -6.488 295 HD21 ASN 38 HD21 ASN 38 -11.901 2.897 -4.410 296 HD22 ASN 38 HD22 ASN 38 -13.607 3.057 -4.176 297 H GLY 39 H GLY 39 -12.483 2.255 -9.081 298 HA2 GLY 39 HA2 GLY 39 -14.306 2.547 -10.475 299 HA3 GLY 39 HA3 GLY 39 -14.406 4.222 -9.950 300 H ASN 40 H ASN 40 -13.013 5.774 -10.945 301 HA ASN 40 HA ASN 40 -11.976 4.935 -13.578 302 HB2 ASN 40 HB2 ASN 40 -14.284 6.220 -13.444 303 HB3 ASN 40 HB3 ASN 40 -13.250 7.622 -13.218 304 HD21 ASN 40 HD21 ASN 40 -14.986 7.245 -15.401 305 HD22 ASN 40 HD22 ASN 40 -14.025 7.130 -16.835 306 H TRP 41 H TRP 41 -11.313 6.233 -10.652 307 HA TRP 41 HA TRP 41 -9.501 8.300 -11.646 308 HD1 TRP 41 HD1 TRP 41 -8.521 10.655 -10.339 309 HE1 TRP 41 HE1 TRP 41 -6.983 11.434 -8.425 310 HE3 TRP 41 HE3 TRP 41 -9.949 7.303 -6.757 311 HZ2 TRP 41 HZ2 TRP 41 -6.465 10.718 -5.736 312 HZ3 TRP 41 HZ3 TRP 41 -8.890 7.418 -4.540 313 HH2 TRP 41 HH2 TRP 41 -7.180 9.094 -4.040 314 HB2 TRP 41 HB2 TRP 41 -10.954 9.148 -10.026 315 HB3 TRP 41 HB3 TRP 41 -10.745 7.763 -8.966 316 H ASP 42 H ASP 42 -7.405 8.238 -11.446 317 HA ASP 42 HA ASP 42 -6.142 6.011 -9.968 318 HB2 ASP 42 HB2 ASP 42 -5.020 7.370 -12.432 319 HB3 ASP 42 HB3 ASP 42 -4.330 5.993 -11.585 320 H LYS 43 H LYS 43 -4.357 6.547 -8.717 321 HA LYS 43 HA LYS 43 -3.331 9.276 -8.860 322 HB2 LYS 43 HB2 LYS 43 -5.277 9.099 -7.174 323 HB3 LYS 43 HB3 LYS 43 -4.162 8.161 -6.190 324 HG2 LYS 43 HG2 LYS 43 -4.149 10.438 -5.449 325 HG3 LYS 43 HG3 LYS 43 -2.595 10.078 -6.211 326 HD2 LYS 43 HD2 LYS 43 -3.343 11.150 -8.264 327 HD3 LYS 43 HD3 LYS 43 -4.918 11.474 -7.538 328 HE2 LYS 43 HE2 LYS 43 -3.870 12.900 -5.868 329 HE3 LYS 43 HE3 LYS 43 -2.281 12.556 -6.556 330 HZ1 LYS 43 HZ1 LYS 43 -3.051 13.554 -8.644 331 HZ2 LYS 43 HZ2 LYS 43 -3.075 14.657 -7.360 332 HZ3 LYS 43 HZ3 LYS 43 -4.523 13.965 -7.905 333 H LEU 44 H LEU 44 -1.222 8.896 -9.168 334 HA LEU 44 HA LEU 44 0.043 6.785 -7.553 335 HG LEU 44 HG LEU 44 2.867 7.141 -8.574 336 HB2 LEU 44 HB2 LEU 44 0.271 6.620 -10.026 337 HB3 LEU 44 HB3 LEU 44 1.108 8.162 -10.018 338 HD11 LEU 44 HD11 LEU 44 2.967 4.701 -8.420 339 HD12 LEU 44 HD12 LEU 44 1.378 4.591 -9.177 340 HD13 LEU 44 HD13 LEU 44 1.550 5.350 -7.595 341 HD21 LEU 44 HD21 LEU 44 3.197 7.337 -10.966 342 HD22 LEU 44 HD22 LEU 44 2.358 5.809 -11.229 343 HD23 LEU 44 HD23 LEU 44 3.901 5.833 -10.375 344 H VAL 45 H VAL 45 0.769 7.622 -5.712 345 HA VAL 45 HA VAL 45 2.342 10.111 -5.851 346 HB VAL 45 HB VAL 45 0.550 9.372 -3.531 347 HG11 VAL 45 HG11 VAL 45 2.468 10.711 -2.895 348 HG12 VAL 45 HG12 VAL 45 0.995 11.677 -2.797 349 HG13 VAL 45 HG13 VAL 45 2.097 11.883 -4.161 350 HG21 VAL 45 HG21 VAL 45 0.088 11.412 -5.703 351 HG22 VAL 45 HG22 VAL 45 -0.901 11.214 -4.256 352 HG23 VAL 45 HG23 VAL 45 -0.824 9.924 -5.456 353 H THR 46 H THR 46 4.293 10.003 -4.887 354 HA THR 46 HA THR 46 5.153 7.475 -3.817 355 HB THR 46 HB THR 46 6.982 9.772 -3.732 356 HG1 THR 46 HG1 THR 46 6.370 10.458 -5.650 357 HG21 THR 46 HG21 THR 46 8.471 8.173 -4.872 358 HG22 THR 46 HG22 THR 46 7.132 7.030 -4.981 359 HG23 THR 46 HG23 THR 46 7.774 7.493 -3.405 360 H PHE 47 H PHE 47 5.153 7.002 -1.745 361 HA PHE 47 HA PHE 47 5.427 9.143 0.263 362 HD1 PHE 47 HD1 PHE 47 3.203 10.173 1.225 363 HD2 PHE 47 HD2 PHE 47 1.989 6.631 -0.795 364 HE1 PHE 47 HE1 PHE 47 1.158 11.310 0.469 365 HE2 PHE 47 HE2 PHE 47 -0.062 7.762 -1.554 366 HZ PHE 47 HZ PHE 47 -0.479 10.105 -0.922 367 HB2 PHE 47 HB2 PHE 47 3.850 6.571 0.555 368 HB3 PHE 47 HB3 PHE 47 4.066 7.787 1.806 369 H ARG 48 H ARG 48 6.173 8.013 2.449 370 HA ARG 48 HA ARG 48 8.549 6.513 1.708 371 HE ARG 48 HE ARG 48 8.791 11.382 3.663 372 HB2 ARG 48 HB2 ARG 48 7.712 7.500 4.432 373 HB3 ARG 48 HB3 ARG 48 9.295 6.891 3.976 374 HG2 ARG 48 HG2 ARG 48 9.608 8.789 2.479 375 HG3 ARG 48 HG3 ARG 48 8.010 9.399 2.916 376 HD2 ARG 48 HD2 ARG 48 8.906 9.286 5.342 377 HD3 ARG 48 HD3 ARG 48 10.493 9.231 4.576 378 HH11 ARG 48 HH11 ARG 48 11.206 10.359 5.992 379 HH12 ARG 48 HH12 ARG 48 11.682 11.983 6.404 380 HH21 ARG 48 HH21 ARG 48 9.424 13.508 4.190 381 HH22 ARG 48 HH22 ARG 48 10.667 13.775 5.371 382 H LEU 49 H LEU 49 9.199 4.714 3.184 383 HA LEU 49 HA LEU 49 7.145 2.703 3.011 384 HG LEU 49 HG LEU 49 9.849 2.979 1.503 385 HB2 LEU 49 HB2 LEU 49 10.021 2.539 3.919 386 HB3 LEU 49 HB3 LEU 49 8.954 1.160 3.741 387 HD11 LEU 49 HD11 LEU 49 10.630 0.146 2.176 388 HD12 LEU 49 HD12 LEU 49 11.650 1.573 2.359 389 HD13 LEU 49 HD13 LEU 49 11.142 1.054 0.753 390 HD21 LEU 49 HD21 LEU 49 7.620 2.077 1.124 391 HD22 LEU 49 HD22 LEU 49 8.209 0.449 1.459 392 HD23 LEU 49 HD23 LEU 49 8.795 1.324 0.044 393 H SER 50 H SER 50 8.607 4.662 5.422 394 HA SER 50 HA SER 50 7.594 3.036 7.601 395 HG SER 50 HG SER 50 9.054 5.374 9.797 396 HB2 SER 50 HB2 SER 50 9.857 4.095 7.700 397 HB3 SER 50 HB3 SER 50 9.057 5.659 7.717 398 H GLU 51 H GLU 51 6.405 5.344 5.532 399 HA GLU 51 HA GLU 51 4.764 6.682 7.565 400 HB2 GLU 51 HB2 GLU 51 4.922 7.112 4.582 401 HB3 GLU 51 HB3 GLU 51 3.921 8.054 5.679 402 HG2 GLU 51 HG2 GLU 51 6.013 8.684 6.893 403 HG3 GLU 51 HG3 GLU 51 6.919 7.914 5.594 404 H LEU 52 H LEU 52 4.541 3.911 5.737 405 HA LEU 52 HA LEU 52 1.603 4.055 5.634 406 HG LEU 52 HG LEU 52 3.587 4.960 3.383 407 HB2 LEU 52 HB2 LEU 52 3.442 2.495 3.821 408 HB3 LEU 52 HB3 LEU 52 1.704 2.626 3.683 409 HD11 LEU 52 HD11 LEU 52 3.970 3.317 1.622 410 HD12 LEU 52 HD12 LEU 52 3.189 4.764 0.987 411 HD13 LEU 52 HD13 LEU 52 2.245 3.298 1.257 412 HD21 LEU 52 HD21 LEU 52 1.654 6.084 2.434 413 HD22 LEU 52 HD22 LEU 52 1.305 5.538 4.073 414 HD23 LEU 52 HD23 LEU 52 0.670 4.646 2.691 415 H GLU 53 H GLU 53 0.527 1.939 5.819 416 HA GLU 53 HA GLU 53 2.169 -0.074 7.209 417 HB2 GLU 53 HB2 GLU 53 0.187 -0.712 8.515 418 HB3 GLU 53 HB3 GLU 53 0.665 0.952 8.819 419 HG2 GLU 53 HG2 GLU 53 -1.126 1.763 7.430 420 HG3 GLU 53 HG3 GLU 53 -1.563 0.117 6.974 421 H ALA 54 H ALA 54 1.450 -2.293 6.921 422 HA ALA 54 HA ALA 54 0.494 -2.644 4.178 423 HB1 ALA 54 HB1 ALA 54 2.650 -3.648 4.776 424 HB2 ALA 54 HB2 ALA 54 1.467 -4.870 4.308 425 HB3 ALA 54 HB3 ALA 54 1.850 -4.618 6.011 426 H VAL 55 H VAL 55 -1.479 -3.348 3.769 427 HA VAL 55 HA VAL 55 -3.191 -4.273 5.915 428 HB VAL 55 HB VAL 55 -3.988 -4.325 3.023 429 HG11 VAL 55 HG11 VAL 55 -6.173 -3.679 3.940 430 HG12 VAL 55 HG12 VAL 55 -5.474 -3.683 5.560 431 HG13 VAL 55 HG13 VAL 55 -5.564 -5.181 4.635 432 HG21 VAL 55 HG21 VAL 55 -2.879 -2.166 3.299 433 HG22 VAL 55 HG22 VAL 55 -3.872 -1.826 4.717 434 HG23 VAL 55 HG23 VAL 55 -4.621 -1.957 3.125 435 H LYS 56 H LYS 56 -4.598 -6.290 5.319 436 HA LYS 56 HA LYS 56 -2.671 -8.399 4.636 437 HB2 LYS 56 HB2 LYS 56 -3.851 -8.296 6.928 438 HB3 LYS 56 HB3 LYS 56 -5.282 -8.838 6.063 439 HG2 LYS 56 HG2 LYS 56 -4.188 -10.730 7.048 440 HG3 LYS 56 HG3 LYS 56 -4.024 -10.816 5.291 441 HD2 LYS 56 HD2 LYS 56 -1.762 -9.819 5.501 442 HD3 LYS 56 HD3 LYS 56 -1.936 -9.876 7.255 443 HE2 LYS 56 HE2 LYS 56 -1.988 -12.243 5.391 444 HE3 LYS 56 HE3 LYS 56 -0.639 -11.771 6.420 445 HZ1 LYS 56 HZ1 LYS 56 -1.764 -13.478 7.545 446 HZ2 LYS 56 HZ2 LYS 56 -3.283 -12.801 7.248 447 HZ3 LYS 56 HZ3 LYS 56 -2.224 -12.050 8.338 448 HA PRO 57 HA PRO 57 -4.865 -8.899 0.788 449 HB2 PRO 57 HB2 PRO 57 -3.499 -11.539 0.870 450 HB3 PRO 57 HB3 PRO 57 -3.495 -10.309 -0.399 451 HG2 PRO 57 HG2 PRO 57 -1.362 -10.668 1.150 452 HG3 PRO 57 HG3 PRO 57 -1.865 -9.042 0.652 453 HD2 PRO 57 HD2 PRO 57 -2.234 -10.418 3.283 454 HD3 PRO 57 HD3 PRO 57 -1.845 -8.719 2.942 455 H ILE 58 H ILE 58 -6.570 -10.129 -0.023 456 HA ILE 58 HA ILE 58 -8.315 -11.268 1.878 457 HB ILE 58 HB ILE 58 -8.545 -11.837 -1.063 458 HG12 ILE 58 HG12 ILE 58 -9.302 -9.238 0.300 459 HG13 ILE 58 HG13 ILE 58 -7.949 -9.435 -0.808 460 HG21 ILE 58 HG21 ILE 58 -10.943 -11.629 -0.604 461 HG22 ILE 58 HG22 ILE 58 -10.585 -11.243 1.078 462 HG23 ILE 58 HG23 ILE 58 -10.191 -12.838 0.438 463 HD11 ILE 58 HD11 ILE 58 -9.848 -8.418 -1.915 464 HD12 ILE 58 HD12 ILE 58 -10.855 -9.800 -1.486 465 HD13 ILE 58 HD13 ILE 58 -9.504 -10.006 -2.599 466 H LEU 59 H LEU 59 -9.138 -13.461 1.886 467 HA LEU 59 HA LEU 59 -7.011 -15.394 1.304 468 HG LEU 59 HG LEU 59 -10.269 -15.879 3.106 469 HB2 LEU 59 HB2 LEU 59 -7.855 -16.754 3.137 470 HB3 LEU 59 HB3 LEU 59 -7.402 -15.157 3.690 471 HD11 LEU 59 HD11 LEU 59 -10.511 -16.304 5.514 472 HD12 LEU 59 HD12 LEU 59 -8.764 -16.152 5.709 473 HD13 LEU 59 HD13 LEU 59 -9.434 -17.470 4.747 474 HD21 LEU 59 HD21 LEU 59 -10.723 -14.038 4.650 475 HD22 LEU 59 HD22 LEU 59 -9.752 -13.497 3.279 476 HD23 LEU 59 HD23 LEU 59 -8.990 -13.771 4.847 477 H GLU 60 H GLU 60 -8.371 -17.747 1.590 478 HA GLU 60 HA GLU 60 -9.926 -17.657 -0.889 479 HB2 GLU 60 HB2 GLU 60 -9.450 -20.093 -1.017 480 HB3 GLU 60 HB3 GLU 60 -8.013 -19.084 -1.020 481 HG2 GLU 60 HG2 GLU 60 -9.060 -20.474 1.437 482 HG3 GLU 60 HG3 GLU 60 -7.877 -21.189 0.342 483 H HIS 61 H HIS 61 -11.366 -16.819 1.291 484 HA HIS 61 HA HIS 61 -13.483 -17.025 2.086 485 HD1 HIS 61 HD1 HIS 61 -15.481 -20.604 2.124 486 HD2 HIS 61 HD2 HIS 61 -16.388 -16.885 0.497 487 HE1 HIS 61 HE1 HIS 61 -17.944 -20.275 2.511 488 HE2 HIS 61 HE2 HIS 61 -18.455 -17.974 1.612 489 HB2 HIS 61 HB2 HIS 61 -13.929 -18.069 -0.151 490 HB3 HIS 61 HB3 HIS 61 -13.635 -19.645 0.573 491 H HIS 62 H HIS 62 -11.007 -18.945 2.945 492 HA HIS 62 HA HIS 62 -12.128 -21.098 4.326 493 HD1 HIS 62 HD1 HIS 62 -8.158 -20.625 6.723 494 HD2 HIS 62 HD2 HIS 62 -11.228 -23.166 5.524 495 HE1 HIS 62 HE1 HIS 62 -8.072 -22.586 8.293 496 HE2 HIS 62 HE2 HIS 62 -10.040 -24.028 7.654 497 HB2 HIS 62 HB2 HIS 62 -9.743 -20.924 3.753 498 HB3 HIS 62 HB3 HIS 62 -9.557 -19.625 4.925 499 H HIS 63 H HIS 63 -11.727 -17.757 5.272 500 HA HIS 63 HA HIS 63 -12.321 -16.554 7.096 501 HD1 HIS 63 HD1 HIS 63 -15.886 -18.971 5.900 502 HD2 HIS 63 HD2 HIS 63 -14.567 -15.102 6.675 503 HE1 HIS 63 HE1 HIS 63 -17.278 -17.475 4.441 504 HE2 HIS 63 HE2 HIS 63 -16.266 -15.186 4.723 505 HB2 HIS 63 HB2 HIS 63 -14.118 -18.930 7.607 506 HB3 HIS 63 HB3 HIS 63 -14.147 -17.462 8.575 507 H HIS 64 H HIS 64 -10.572 -16.322 8.342 508 HA HIS 64 HA HIS 64 -9.743 -18.625 9.975 509 HD1 HIS 64 HD1 HIS 64 -6.115 -16.352 11.025 510 HD2 HIS 64 HD2 HIS 64 -7.532 -20.068 9.796 511 HE1 HIS 64 HE1 HIS 64 -4.547 -18.046 12.031 512 HE2 HIS 64 HE2 HIS 64 -5.349 -20.279 11.176 513 HB2 HIS 64 HB2 HIS 64 -8.133 -17.420 8.349 514 HB3 HIS 64 HB3 HIS 64 -8.099 -16.144 9.561 515 H HIS 65 H HIS 65 -9.638 -15.071 10.303 516 HA HIS 65 HA HIS 65 -10.078 -13.674 12.037 517 HD1 HIS 65 HD1 HIS 65 -11.523 -15.016 15.620 518 HD2 HIS 65 HD2 HIS 65 -12.978 -12.241 12.878 519 HE1 HIS 65 HE1 HIS 65 -12.430 -13.116 16.994 520 HE2 HIS 65 HE2 HIS 65 -13.456 -11.528 15.320 521 HB2 HIS 65 HB2 HIS 65 -12.325 -14.793 11.961 522 HB3 HIS 65 HB3 HIS 65 -11.754 -15.919 13.185 523 H HIS 66 H HIS 66 -8.424 -13.219 13.328 524 HA HIS 66 HA HIS 66 -6.880 -15.216 14.605 525 HD1 HIS 66 HD1 HIS 66 -5.832 -11.629 17.199 526 HD2 HIS 66 HD2 HIS 66 -8.261 -11.097 13.859 527 HE1 HIS 66 HE1 HIS 66 -6.955 -9.401 17.523 528 HE2 HIS 66 HE2 HIS 66 -8.600 -9.227 15.618 529 HB2 HIS 66 HB2 HIS 66 -5.559 -13.445 15.569 530 HB3 HIS 66 HB3 HIS 66 -5.937 -13.014 13.910 Start of MODEL 20 1 HA MET 1 HA MET 1 10.364 -5.639 3.061 2 H1 MET 1 H1 MET 1 11.069 -3.788 4.388 3 H2 MET 1 H2 MET 1 9.489 -3.173 4.439 4 H3 MET 1 H3 MET 1 10.323 -3.261 2.961 5 HB2 MET 1 HB2 MET 1 8.902 -6.781 4.761 6 HB3 MET 1 HB3 MET 1 10.390 -6.092 5.390 7 HG2 MET 1 HG2 MET 1 7.836 -4.550 5.516 8 HG3 MET 1 HG3 MET 1 8.192 -5.802 6.704 9 HE1 MET 1 HE1 MET 1 10.187 -5.714 8.411 10 HE2 MET 1 HE2 MET 1 11.440 -4.474 8.392 11 HE3 MET 1 HE3 MET 1 11.308 -5.615 7.053 12 H ILE 2 H ILE 2 8.372 -3.069 2.714 13 HA ILE 2 HA ILE 2 6.112 -4.587 1.691 14 HB ILE 2 HB ILE 2 6.715 -1.641 1.373 15 HG12 ILE 2 HG12 ILE 2 4.874 -3.026 3.340 16 HG13 ILE 2 HG13 ILE 2 6.428 -2.303 3.744 17 HG21 ILE 2 HG21 ILE 2 4.342 -1.446 0.804 18 HG22 ILE 2 HG22 ILE 2 4.174 -3.197 0.929 19 HG23 ILE 2 HG23 ILE 2 5.199 -2.496 -0.326 20 HD11 ILE 2 HD11 ILE 2 4.596 -0.841 4.371 21 HD12 ILE 2 HD12 ILE 2 4.011 -0.838 2.707 22 HD13 ILE 2 HD13 ILE 2 5.567 -0.105 3.095 23 H PHE 3 H PHE 3 5.725 -4.949 -0.481 24 HA PHE 3 HA PHE 3 8.009 -4.418 -2.258 25 HD1 PHE 3 HD1 PHE 3 9.863 -6.191 -2.153 26 HD2 PHE 3 HD2 PHE 3 6.503 -8.082 -0.350 27 HE1 PHE 3 HE1 PHE 3 11.356 -7.301 -0.545 28 HE2 PHE 3 HE2 PHE 3 7.990 -9.195 1.264 29 HZ PHE 3 HZ PHE 3 10.421 -8.804 1.168 30 HB2 PHE 3 HB2 PHE 3 6.201 -6.845 -2.265 31 HB3 PHE 3 HB3 PHE 3 7.567 -6.570 -3.337 32 HA PRO 4 HA PRO 4 5.229 -2.603 -5.219 33 HB2 PRO 4 HB2 PRO 4 6.244 -3.747 -7.530 34 HB3 PRO 4 HB3 PRO 4 6.874 -2.288 -6.760 35 HG2 PRO 4 HG2 PRO 4 7.866 -5.092 -6.619 36 HG3 PRO 4 HG3 PRO 4 8.782 -3.575 -6.663 37 HD2 PRO 4 HD2 PRO 4 8.431 -4.980 -4.385 38 HD3 PRO 4 HD3 PRO 4 8.520 -3.208 -4.397 39 H GLY 5 H GLY 5 3.208 -3.201 -5.663 40 HA2 GLY 5 HA2 GLY 5 1.650 -4.686 -6.773 41 HA3 GLY 5 HA3 GLY 5 2.709 -6.026 -6.351 42 H ALA 6 H ALA 6 2.855 -4.298 -3.671 43 HA ALA 6 HA ALA 6 0.734 -5.831 -2.388 44 HB1 ALA 6 HB1 ALA 6 2.925 -4.163 -1.156 45 HB2 ALA 6 HB2 ALA 6 2.980 -5.905 -1.419 46 HB3 ALA 6 HB3 ALA 6 1.809 -5.222 -0.292 47 H THR 7 H THR 7 -0.780 -4.876 -0.970 48 HA THR 7 HA THR 7 -1.549 -2.170 -1.764 49 HB THR 7 HB THR 7 -3.146 -4.022 0.000 50 HG1 THR 7 HG1 THR 7 -2.691 -4.114 -2.773 51 HG21 THR 7 HG21 THR 7 -5.047 -2.786 -0.930 52 HG22 THR 7 HG22 THR 7 -3.947 -1.835 -1.927 53 HG23 THR 7 HG23 THR 7 -3.897 -1.687 -0.171 54 H VAL 8 H VAL 8 -1.399 -0.462 -0.415 55 HA VAL 8 HA VAL 8 -0.673 -0.982 2.392 56 HB VAL 8 HB VAL 8 0.755 1.060 2.308 57 HG11 VAL 8 HG11 VAL 8 1.511 -1.167 0.423 58 HG12 VAL 8 HG12 VAL 8 1.757 -1.146 2.169 59 HG13 VAL 8 HG13 VAL 8 2.632 -0.011 1.141 60 HG21 VAL 8 HG21 VAL 8 -0.247 2.131 0.357 61 HG22 VAL 8 HG22 VAL 8 0.342 0.823 -0.669 62 HG23 VAL 8 HG23 VAL 8 1.487 1.900 0.130 63 H ARG 9 H ARG 9 -1.192 0.678 3.887 64 HA ARG 9 HA ARG 9 -3.422 2.411 3.033 65 HE ARG 9 HE ARG 9 -6.893 2.654 7.201 66 HB2 ARG 9 HB2 ARG 9 -4.082 0.383 4.366 67 HB3 ARG 9 HB3 ARG 9 -3.117 1.004 5.696 68 HG2 ARG 9 HG2 ARG 9 -4.567 2.883 5.961 69 HG3 ARG 9 HG3 ARG 9 -5.450 2.471 4.484 70 HD2 ARG 9 HD2 ARG 9 -6.155 0.359 5.503 71 HD3 ARG 9 HD3 ARG 9 -5.292 0.779 6.977 72 HH11 ARG 9 HH11 ARG 9 -7.732 -0.042 5.122 73 HH12 ARG 9 HH12 ARG 9 -9.437 0.094 5.420 74 HH21 ARG 9 HH21 ARG 9 -9.170 2.823 7.602 75 HH22 ARG 9 HH22 ARG 9 -10.246 1.716 6.805 76 H VAL 10 H VAL 10 -3.013 4.507 3.351 77 HA VAL 10 HA VAL 10 -0.561 5.421 4.380 78 HB VAL 10 HB VAL 10 -3.087 7.028 3.974 79 HG11 VAL 10 HG11 VAL 10 -1.591 8.945 3.745 80 HG12 VAL 10 HG12 VAL 10 -0.202 7.908 4.075 81 HG13 VAL 10 HG13 VAL 10 -1.410 8.188 5.330 82 HG21 VAL 10 HG21 VAL 10 -2.177 7.559 1.765 83 HG22 VAL 10 HG22 VAL 10 -2.458 5.827 1.947 84 HG23 VAL 10 HG23 VAL 10 -0.820 6.471 2.064 85 H THR 11 H THR 11 0.093 5.497 6.395 86 HA THR 11 HA THR 11 -1.835 5.449 8.567 87 HB THR 11 HB THR 11 1.176 5.326 8.775 88 HG1 THR 11 HG1 THR 11 -0.435 3.021 8.871 89 HG21 THR 11 HG21 THR 11 0.720 4.166 10.879 90 HG22 THR 11 HG22 THR 11 -1.014 4.336 10.607 91 HG23 THR 11 HG23 THR 11 -0.021 5.769 10.877 92 H ASN 12 H ASN 12 0.447 7.638 7.100 93 HA ASN 12 HA ASN 12 0.804 9.426 9.260 94 HB2 ASN 12 HB2 ASN 12 2.218 9.364 7.192 95 HB3 ASN 12 HB3 ASN 12 0.885 10.091 6.304 96 HD21 ASN 12 HD21 ASN 12 3.597 11.078 6.770 97 HD22 ASN 12 HD22 ASN 12 3.411 12.617 7.554 98 H VAL 13 H VAL 13 -0.733 10.538 10.257 99 HA VAL 13 HA VAL 13 -3.374 10.723 9.176 100 HB VAL 13 HB VAL 13 -2.288 12.061 11.649 101 HG11 VAL 13 HG11 VAL 13 -5.097 11.304 10.867 102 HG12 VAL 13 HG12 VAL 13 -4.442 12.937 10.984 103 HG13 VAL 13 HG13 VAL 13 -4.617 11.951 12.435 104 HG21 VAL 13 HG21 VAL 13 -3.091 10.102 12.882 105 HG22 VAL 13 HG22 VAL 13 -1.824 9.678 11.731 106 HG23 VAL 13 HG23 VAL 13 -3.509 9.324 11.355 107 H ASP 14 H ASP 14 -0.634 12.803 9.246 108 HA ASP 14 HA ASP 14 -2.142 15.257 9.012 109 HB2 ASP 14 HB2 ASP 14 0.089 15.034 10.182 110 HB3 ASP 14 HB3 ASP 14 0.822 14.854 8.593 111 H ASP 15 H ASP 15 -1.082 12.859 6.862 112 HA ASP 15 HA ASP 15 -0.505 14.591 4.647 113 HB2 ASP 15 HB2 ASP 15 0.536 12.342 4.893 114 HB3 ASP 15 HB3 ASP 15 -1.044 11.613 4.610 115 H THR 16 H THR 16 -1.672 14.478 2.600 116 HA THR 16 HA THR 16 -4.388 15.177 2.929 117 HB THR 16 HB THR 16 -2.915 14.556 0.363 118 HG1 THR 16 HG1 THR 16 -1.800 16.290 0.863 119 HG21 THR 16 HG21 THR 16 -5.358 14.724 0.114 120 HG22 THR 16 HG22 THR 16 -4.533 16.076 -0.662 121 HG23 THR 16 HG23 THR 16 -5.322 16.304 0.899 122 H TYR 17 H TYR 17 -2.770 12.234 1.813 123 HA TYR 17 HA TYR 17 -5.384 11.103 1.104 124 HD1 TYR 17 HD1 TYR 17 -5.705 9.872 -1.508 125 HD2 TYR 17 HD2 TYR 17 -2.243 12.294 -1.013 126 HE1 TYR 17 HE1 TYR 17 -6.230 11.038 -3.607 127 HE2 TYR 17 HE2 TYR 17 -2.752 13.463 -3.116 128 HH TYR 17 HH TYR 17 -5.773 13.185 -4.683 129 HB2 TYR 17 HB2 TYR 17 -2.568 10.345 0.353 130 HB3 TYR 17 HB3 TYR 17 -3.928 9.256 0.078 131 H TYR 18 H TYR 18 -4.327 11.439 3.854 132 HA TYR 18 HA TYR 18 -3.671 8.984 4.993 133 HD1 TYR 18 HD2 TYR 18 -3.174 8.433 7.320 134 HD2 TYR 18 HD1 TYR 18 -6.602 10.877 7.927 135 HE1 TYR 18 HE2 TYR 18 -3.723 7.150 9.337 136 HE2 TYR 18 HE1 TYR 18 -7.161 9.596 9.951 137 HH TYR 18 HH TYR 18 -4.967 7.363 11.376 138 HB2 TYR 18 HB2 TYR 18 -3.539 10.953 6.351 139 HB3 TYR 18 HB3 TYR 18 -5.248 11.305 6.118 140 H ARG 19 H ARG 19 -4.791 7.242 5.648 141 HA ARG 19 HA ARG 19 -6.453 5.811 6.133 142 HE ARG 19 HE ARG 19 -10.570 5.391 8.722 143 HB2 ARG 19 HB2 ARG 19 -7.528 7.983 7.047 144 HB3 ARG 19 HB3 ARG 19 -8.523 7.909 5.595 145 HG2 ARG 19 HG2 ARG 19 -9.105 5.565 6.272 146 HG3 ARG 19 HG3 ARG 19 -8.349 5.913 7.824 147 HD2 ARG 19 HD2 ARG 19 -9.873 7.821 8.117 148 HD3 ARG 19 HD3 ARG 19 -10.664 7.401 6.597 149 HH11 ARG 19 HH11 ARG 19 -12.404 7.616 6.746 150 HH12 ARG 19 HH12 ARG 19 -13.945 7.042 7.310 151 HH21 ARG 19 HH21 ARG 19 -12.586 4.600 9.434 152 HH22 ARG 19 HH22 ARG 19 -14.052 5.306 8.817 153 H PHE 20 H PHE 20 -5.748 6.992 3.255 154 HA PHE 20 HA PHE 20 -7.796 5.438 1.865 155 HD1 PHE 20 HD2 PHE 20 -9.195 6.601 -0.182 156 HD2 PHE 20 HD1 PHE 20 -6.647 9.413 1.744 157 HE1 PHE 20 HE2 PHE 20 -11.035 8.235 -0.145 158 HE2 PHE 20 HE1 PHE 20 -8.480 11.053 1.786 159 HZ PHE 20 HZ PHE 20 -10.681 10.465 0.840 160 HB2 PHE 20 HB2 PHE 20 -5.751 7.426 0.885 161 HB3 PHE 20 HB3 PHE 20 -6.680 6.408 -0.201 162 H GLU 21 H GLU 21 -7.137 3.851 0.317 163 HA GLU 21 HA GLU 21 -4.595 2.574 1.074 164 HB2 GLU 21 HB2 GLU 21 -7.126 1.236 0.087 165 HB3 GLU 21 HB3 GLU 21 -5.666 0.429 0.644 166 HG2 GLU 21 HG2 GLU 21 -6.009 1.317 2.885 167 HG3 GLU 21 HG3 GLU 21 -7.451 2.167 2.335 168 H GLY 22 H GLY 22 -3.247 1.850 -0.523 169 HA2 GLY 22 HA2 GLY 22 -4.128 2.093 -3.305 170 HA3 GLY 22 HA3 GLY 22 -2.763 3.072 -2.788 171 H LEU 23 H LEU 23 -2.159 1.525 -4.782 172 HA LEU 23 HA LEU 23 -0.985 -0.926 -3.637 173 HG LEU 23 HG LEU 23 -0.922 -2.910 -5.028 174 HB2 LEU 23 HB2 LEU 23 -2.729 -1.088 -5.493 175 HB3 LEU 23 HB3 LEU 23 -1.523 -0.394 -6.554 176 HD11 LEU 23 HD11 LEU 23 -1.716 -4.189 -6.976 177 HD12 LEU 23 HD12 LEU 23 -2.388 -2.706 -7.656 178 HD13 LEU 23 HD13 LEU 23 -3.026 -3.351 -6.144 179 HD21 LEU 23 HD21 LEU 23 0.013 -1.818 -7.683 180 HD22 LEU 23 HD22 LEU 23 0.544 -3.326 -6.940 181 HD23 LEU 23 HD23 LEU 23 0.920 -1.786 -6.169 182 H VAL 24 H VAL 24 1.157 -1.005 -3.486 183 HA VAL 24 HA VAL 24 2.821 1.169 -4.238 184 HB VAL 24 HB VAL 24 3.632 -1.643 -3.472 185 HG11 VAL 24 HG11 VAL 24 5.436 -0.419 -4.555 186 HG12 VAL 24 HG12 VAL 24 5.764 -0.626 -2.834 187 HG13 VAL 24 HG13 VAL 24 5.202 0.931 -3.443 188 HG21 VAL 24 HG21 VAL 24 2.243 -0.615 -1.760 189 HG22 VAL 24 HG22 VAL 24 3.274 0.817 -1.766 190 HG23 VAL 24 HG23 VAL 24 3.915 -0.732 -1.217 191 H GLN 25 H GLN 25 3.495 1.658 -6.187 192 HA GLN 25 HA GLN 25 3.408 -0.248 -8.344 193 HB2 GLN 25 HB2 GLN 25 4.360 2.612 -8.189 194 HB3 GLN 25 HB3 GLN 25 4.375 1.666 -9.668 195 HG2 GLN 25 HG2 GLN 25 1.949 2.412 -8.052 196 HG3 GLN 25 HG3 GLN 25 2.439 3.112 -9.593 197 HE21 GLN 25 HE21 GLN 25 1.045 0.374 -8.006 198 HE22 GLN 25 HE22 GLN 25 0.467 -0.421 -9.433 199 H ARG 26 H ARG 26 5.833 1.245 -6.316 200 HA ARG 26 HA ARG 26 7.711 -0.791 -6.765 201 HE ARG 26 HE ARG 26 10.036 4.482 -8.151 202 HB2 ARG 26 HB2 ARG 26 9.391 0.269 -8.034 203 HB3 ARG 26 HB3 ARG 26 7.906 0.561 -8.924 204 HG2 ARG 26 HG2 ARG 26 7.806 2.825 -8.075 205 HG3 ARG 26 HG3 ARG 26 9.232 2.539 -7.074 206 HD2 ARG 26 HD2 ARG 26 10.436 1.963 -9.241 207 HD3 ARG 26 HD3 ARG 26 9.050 2.659 -10.074 208 HH11 ARG 26 HH11 ARG 26 10.807 3.129 -11.288 209 HH12 ARG 26 HH12 ARG 26 11.752 4.503 -11.786 210 HH21 ARG 26 HH21 ARG 26 11.313 6.260 -8.781 211 HH22 ARG 26 HH22 ARG 26 12.076 6.262 -10.351 212 H VAL 27 H VAL 27 9.296 -0.731 -5.277 213 HA VAL 27 HA VAL 27 9.362 1.547 -3.422 214 HB VAL 27 HB VAL 27 10.377 -1.280 -3.023 215 HG11 VAL 27 HG11 VAL 27 10.229 1.015 -1.070 216 HG12 VAL 27 HG12 VAL 27 11.702 0.352 -1.782 217 HG13 VAL 27 HG13 VAL 27 10.725 -0.637 -0.694 218 HG21 VAL 27 HG21 VAL 27 8.531 -1.507 -1.434 219 HG22 VAL 27 HG22 VAL 27 7.942 -1.170 -3.062 220 HG23 VAL 27 HG23 VAL 27 7.970 0.114 -1.852 221 H SER 28 H SER 28 11.063 2.879 -3.565 222 HA SER 28 HA SER 28 13.685 1.890 -4.271 223 HG SER 28 HG SER 28 12.467 1.189 -6.153 224 HB2 SER 28 HB2 SER 28 12.256 3.846 -6.093 225 HB3 SER 28 HB3 SER 28 13.966 3.430 -6.199 226 H ASP 29 H ASP 29 15.261 3.109 -3.410 227 HA ASP 29 HA ASP 29 16.400 4.820 -2.459 228 HB2 ASP 29 HB2 ASP 29 14.125 6.595 -3.379 229 HB3 ASP 29 HB3 ASP 29 15.714 7.132 -2.850 230 H GLY 30 H GLY 30 14.004 3.384 -1.167 231 HA2 GLY 30 HA2 GLY 30 13.471 3.313 1.124 232 HA3 GLY 30 HA3 GLY 30 14.066 4.960 1.288 233 H LYS 31 H LYS 31 12.178 4.913 -1.394 234 HA LYS 31 HA LYS 31 9.788 5.721 0.100 235 HB2 LYS 31 HB2 LYS 31 10.898 6.639 -2.559 236 HB3 LYS 31 HB3 LYS 31 9.337 7.112 -1.927 237 HG2 LYS 31 HG2 LYS 31 10.352 8.260 -0.083 238 HG3 LYS 31 HG3 LYS 31 11.942 7.640 -0.529 239 HD2 LYS 31 HD2 LYS 31 11.762 9.924 -1.259 240 HD3 LYS 31 HD3 LYS 31 11.767 8.870 -2.674 241 HE2 LYS 31 HE2 LYS 31 9.302 9.024 -2.751 242 HE3 LYS 31 HE3 LYS 31 9.354 10.158 -1.401 243 HZ1 LYS 31 HZ1 LYS 31 10.525 10.556 -4.103 244 HZ2 LYS 31 HZ2 LYS 31 10.743 11.621 -2.796 245 HZ3 LYS 31 HZ3 LYS 31 9.197 11.379 -3.441 246 H ALA 32 H ALA 32 7.747 5.394 -1.112 247 HA ALA 32 HA ALA 32 7.826 3.149 -3.004 248 HB1 ALA 32 HB1 ALA 32 5.990 2.035 -1.842 249 HB2 ALA 32 HB2 ALA 32 6.020 3.274 -0.586 250 HB3 ALA 32 HB3 ALA 32 7.397 2.190 -0.791 251 H ALA 33 H ALA 33 6.592 3.545 -4.733 252 HA ALA 33 HA ALA 33 4.981 5.954 -4.770 253 HB1 ALA 33 HB1 ALA 33 4.770 5.515 -7.164 254 HB2 ALA 33 HB2 ALA 33 5.556 3.951 -6.955 255 HB3 ALA 33 HB3 ALA 33 6.456 5.440 -6.657 256 H VAL 34 H VAL 34 2.927 5.892 -4.104 257 HA VAL 34 HA VAL 34 1.521 3.323 -4.134 258 HB VAL 34 HB VAL 34 0.767 5.890 -2.739 259 HG11 VAL 34 HG11 VAL 34 -0.778 4.468 -1.459 260 HG12 VAL 34 HG12 VAL 34 -0.340 3.099 -2.482 261 HG13 VAL 34 HG13 VAL 34 -1.161 4.494 -3.181 262 HG21 VAL 34 HG21 VAL 34 2.843 4.976 -1.859 263 HG22 VAL 34 HG22 VAL 34 2.071 3.405 -1.640 264 HG23 VAL 34 HG23 VAL 34 1.531 4.793 -0.696 265 H LEU 35 H LEU 35 0.172 2.919 -5.735 266 HA LEU 35 HA LEU 35 -1.083 5.123 -7.178 267 HG LEU 35 HG LEU 35 -2.989 3.589 -8.860 268 HB2 LEU 35 HB2 LEU 35 -0.057 3.163 -8.373 269 HB3 LEU 35 HB3 LEU 35 -1.321 2.175 -7.689 270 HD11 LEU 35 HD11 LEU 35 -0.563 4.763 -10.190 271 HD12 LEU 35 HD12 LEU 35 -1.668 5.606 -9.105 272 HD13 LEU 35 HD13 LEU 35 -2.237 5.034 -10.672 273 HD21 LEU 35 HD21 LEU 35 -2.253 1.463 -9.795 274 HD22 LEU 35 HD22 LEU 35 -0.931 2.285 -10.625 275 HD23 LEU 35 HD23 LEU 35 -2.603 2.637 -11.065 276 H PHE 36 H PHE 36 -2.810 5.887 -6.179 277 HA PHE 36 HA PHE 36 -4.603 4.191 -4.686 278 HD1 PHE 36 HD2 PHE 36 -5.178 5.520 -2.187 279 HD2 PHE 36 HD1 PHE 36 -2.742 7.885 -4.748 280 HE1 PHE 36 HE2 PHE 36 -3.742 6.101 -0.275 281 HE2 PHE 36 HE1 PHE 36 -1.296 8.468 -2.846 282 HZ PHE 36 HZ PHE 36 -1.799 7.576 -0.604 283 HB2 PHE 36 HB2 PHE 36 -4.868 7.095 -5.485 284 HB3 PHE 36 HB3 PHE 36 -5.954 6.244 -4.395 285 H GLU 37 H GLU 37 -6.647 3.574 -5.292 286 HA GLU 37 HA GLU 37 -7.437 4.061 -8.066 287 HB2 GLU 37 HB2 GLU 37 -6.091 2.006 -8.070 288 HB3 GLU 37 HB3 GLU 37 -7.137 1.314 -6.838 289 HG2 GLU 37 HG2 GLU 37 -9.009 1.336 -8.370 290 HG3 GLU 37 HG3 GLU 37 -8.018 2.122 -9.601 291 H ASN 38 H ASN 38 -9.505 4.573 -8.148 292 HA ASN 38 HA ASN 38 -11.337 3.411 -6.152 293 HB2 ASN 38 HB2 ASN 38 -10.849 5.808 -5.627 294 HB3 ASN 38 HB3 ASN 38 -11.496 6.243 -7.206 295 HD21 ASN 38 HD21 ASN 38 -13.185 7.421 -6.462 296 HD22 ASN 38 HD22 ASN 38 -14.526 6.740 -5.607 297 H GLY 39 H GLY 39 -11.946 1.846 -7.675 298 HA2 GLY 39 HA2 GLY 39 -13.295 0.985 -9.331 299 HA3 GLY 39 HA3 GLY 39 -14.062 2.565 -9.433 300 H ASN 40 H ASN 40 -13.463 3.976 -11.017 301 HA ASN 40 HA ASN 40 -11.179 3.218 -12.701 302 HB2 ASN 40 HB2 ASN 40 -13.339 2.931 -13.855 303 HB3 ASN 40 HB3 ASN 40 -13.645 4.640 -13.633 304 HD21 ASN 40 HD21 ASN 40 -13.296 2.913 -16.041 305 HD22 ASN 40 HD22 ASN 40 -12.090 3.715 -16.986 306 H TRP 41 H TRP 41 -9.912 4.356 -11.584 307 HA TRP 41 HA TRP 41 -9.376 7.030 -12.107 308 HD1 TRP 41 HD1 TRP 41 -10.198 9.904 -11.204 309 HE1 TRP 41 HE1 TRP 41 -8.904 11.484 -9.630 310 HE3 TRP 41 HE3 TRP 41 -9.030 6.576 -7.486 311 HZ2 TRP 41 HZ2 TRP 41 -7.566 11.328 -7.157 312 HZ3 TRP 41 HZ3 TRP 41 -7.746 7.384 -5.549 313 HH2 TRP 41 HH2 TRP 41 -7.031 9.711 -5.391 314 HB2 TRP 41 HB2 TRP 41 -11.311 7.485 -10.739 315 HB3 TRP 41 HB3 TRP 41 -10.667 6.533 -9.421 316 H ASP 42 H ASP 42 -7.365 7.508 -11.481 317 HA ASP 42 HA ASP 42 -6.025 5.752 -9.566 318 HB2 ASP 42 HB2 ASP 42 -4.156 5.303 -10.999 319 HB3 ASP 42 HB3 ASP 42 -5.612 4.860 -11.875 320 H LYS 43 H LYS 43 -4.166 6.593 -8.645 321 HA LYS 43 HA LYS 43 -3.246 9.237 -9.332 322 HB2 LYS 43 HB2 LYS 43 -5.171 9.791 -7.928 323 HB3 LYS 43 HB3 LYS 43 -4.577 8.729 -6.662 324 HG2 LYS 43 HG2 LYS 43 -4.154 11.094 -6.178 325 HG3 LYS 43 HG3 LYS 43 -2.665 10.160 -6.305 326 HD2 LYS 43 HD2 LYS 43 -2.416 12.291 -7.436 327 HD3 LYS 43 HD3 LYS 43 -2.369 10.972 -8.603 328 HE2 LYS 43 HE2 LYS 43 -4.731 11.393 -9.143 329 HE3 LYS 43 HE3 LYS 43 -4.733 12.747 -8.012 330 HZ1 LYS 43 HZ1 LYS 43 -3.110 13.876 -9.347 331 HZ2 LYS 43 HZ2 LYS 43 -4.397 13.411 -10.353 332 HZ3 LYS 43 HZ3 LYS 43 -2.945 12.538 -10.378 333 H LEU 44 H LEU 44 -1.158 8.740 -9.452 334 HA LEU 44 HA LEU 44 0.039 6.933 -7.515 335 HG LEU 44 HG LEU 44 2.962 7.642 -8.217 336 HB2 LEU 44 HB2 LEU 44 0.620 6.744 -9.900 337 HB3 LEU 44 HB3 LEU 44 1.264 8.374 -9.870 338 HD11 LEU 44 HD11 LEU 44 3.307 5.209 -7.932 339 HD12 LEU 44 HD12 LEU 44 1.779 4.924 -8.763 340 HD13 LEU 44 HD13 LEU 44 1.797 5.779 -7.223 341 HD21 LEU 44 HD21 LEU 44 3.510 7.721 -10.593 342 HD22 LEU 44 HD22 LEU 44 2.905 6.077 -10.799 343 HD23 LEU 44 HD23 LEU 44 4.331 6.373 -9.805 344 H VAL 45 H VAL 45 0.558 7.760 -5.619 345 HA VAL 45 HA VAL 45 2.095 10.281 -5.575 346 HB VAL 45 HB VAL 45 0.278 9.320 -3.352 347 HG11 VAL 45 HG11 VAL 45 1.737 11.935 -3.733 348 HG12 VAL 45 HG12 VAL 45 2.175 10.658 -2.599 349 HG13 VAL 45 HG13 VAL 45 0.660 11.537 -2.394 350 HG21 VAL 45 HG21 VAL 45 -0.204 11.534 -5.345 351 HG22 VAL 45 HG22 VAL 45 -1.226 11.151 -3.961 352 HG23 VAL 45 HG23 VAL 45 -1.060 9.994 -5.280 353 H THR 46 H THR 46 4.123 9.922 -4.925 354 HA THR 46 HA THR 46 4.843 7.379 -3.794 355 HB THR 46 HB THR 46 6.713 9.697 -4.101 356 HG1 THR 46 HG1 THR 46 6.217 9.673 -6.161 357 HG21 THR 46 HG21 THR 46 7.082 6.720 -4.400 358 HG22 THR 46 HG22 THR 46 7.554 7.682 -3.000 359 HG23 THR 46 HG23 THR 46 8.345 7.940 -4.554 360 H PHE 47 H PHE 47 5.219 6.926 -1.771 361 HA PHE 47 HA PHE 47 5.508 9.100 0.198 362 HD1 PHE 47 HD1 PHE 47 3.499 9.985 1.684 363 HD2 PHE 47 HD2 PHE 47 2.025 6.783 -0.697 364 HE1 PHE 47 HE1 PHE 47 1.429 11.244 1.277 365 HE2 PHE 47 HE2 PHE 47 -0.045 8.043 -1.113 366 HZ PHE 47 HZ PHE 47 -0.345 10.275 -0.125 367 HB2 PHE 47 HB2 PHE 47 3.981 6.499 0.499 368 HB3 PHE 47 HB3 PHE 47 4.369 7.571 1.839 369 H ARG 48 H ARG 48 6.141 7.581 2.400 370 HA ARG 48 HA ARG 48 8.554 6.156 1.526 371 HE ARG 48 HE ARG 48 9.606 11.297 3.410 372 HB2 ARG 48 HB2 ARG 48 7.986 7.421 4.213 373 HB3 ARG 48 HB3 ARG 48 9.483 6.647 3.729 374 HG2 ARG 48 HG2 ARG 48 9.784 8.360 1.993 375 HG3 ARG 48 HG3 ARG 48 8.320 9.161 2.566 376 HD2 ARG 48 HD2 ARG 48 9.403 9.351 4.812 377 HD3 ARG 48 HD3 ARG 48 10.884 8.728 4.090 378 HH11 ARG 48 HH11 ARG 48 12.413 9.213 3.531 379 HH12 ARG 48 HH12 ARG 48 13.514 10.450 3.000 380 HH21 ARG 48 HH21 ARG 48 11.028 12.933 2.765 381 HH22 ARG 48 HH22 ARG 48 12.732 12.591 2.596 382 H LEU 49 H LEU 49 9.186 4.324 2.932 383 HA LEU 49 HA LEU 49 7.083 2.470 3.205 384 HG LEU 49 HG LEU 49 10.308 0.725 2.457 385 HB2 LEU 49 HB2 LEU 49 9.965 2.467 4.067 386 HB3 LEU 49 HB3 LEU 49 8.900 1.125 4.420 387 HD11 LEU 49 HD11 LEU 49 8.550 -0.058 0.959 388 HD12 LEU 49 HD12 LEU 49 7.377 0.952 1.805 389 HD13 LEU 49 HD13 LEU 49 8.151 -0.391 2.644 390 HD21 LEU 49 HD21 LEU 49 8.813 3.022 1.217 391 HD22 LEU 49 HD22 LEU 49 9.871 1.903 0.355 392 HD23 LEU 49 HD23 LEU 49 10.536 2.967 1.595 393 H SER 50 H SER 50 8.769 4.567 5.414 394 HA SER 50 HA SER 50 7.546 3.508 7.776 395 HG SER 50 HG SER 50 8.994 7.064 7.247 396 HB2 SER 50 HB2 SER 50 8.524 5.665 8.760 397 HB3 SER 50 HB3 SER 50 9.672 4.513 8.070 398 H GLU 51 H GLU 51 6.429 5.346 5.236 399 HA GLU 51 HA GLU 51 4.574 6.940 6.865 400 HB2 GLU 51 HB2 GLU 51 5.023 6.819 3.877 401 HB3 GLU 51 HB3 GLU 51 3.838 7.857 4.658 402 HG2 GLU 51 HG2 GLU 51 6.797 7.964 5.178 403 HG3 GLU 51 HG3 GLU 51 5.939 9.002 4.039 404 H LEU 52 H LEU 52 4.698 3.909 5.393 405 HA LEU 52 HA LEU 52 1.772 3.772 5.156 406 HG LEU 52 HG LEU 52 3.556 4.970 3.002 407 HB2 LEU 52 HB2 LEU 52 3.820 2.473 3.366 408 HB3 LEU 52 HB3 LEU 52 2.083 2.357 3.202 409 HD11 LEU 52 HD11 LEU 52 4.426 3.483 1.304 410 HD12 LEU 52 HD12 LEU 52 3.389 4.708 0.574 411 HD13 LEU 52 HD13 LEU 52 2.789 3.065 0.799 412 HD21 LEU 52 HD21 LEU 52 1.531 5.696 1.853 413 HD22 LEU 52 HD22 LEU 52 1.167 5.111 3.478 414 HD23 LEU 52 HD23 LEU 52 0.822 4.095 2.078 415 H GLU 53 H GLU 53 0.813 1.846 5.740 416 HA GLU 53 HA GLU 53 2.605 -0.326 6.597 417 HB2 GLU 53 HB2 GLU 53 0.940 -1.007 8.232 418 HB3 GLU 53 HB3 GLU 53 1.395 0.667 8.512 419 HG2 GLU 53 HG2 GLU 53 -0.670 1.339 7.268 420 HG3 GLU 53 HG3 GLU 53 -1.133 -0.362 7.253 421 H ALA 54 H ALA 54 2.060 -2.399 5.911 422 HA ALA 54 HA ALA 54 0.508 -2.450 3.479 423 HB1 ALA 54 HB1 ALA 54 1.905 -4.710 4.916 424 HB2 ALA 54 HB2 ALA 54 2.614 -3.705 3.650 425 HB3 ALA 54 HB3 ALA 54 1.250 -4.762 3.280 426 H VAL 55 H VAL 55 -1.499 -3.303 3.182 427 HA VAL 55 HA VAL 55 -3.168 -3.690 5.448 428 HB VAL 55 HB VAL 55 -3.898 -4.703 2.720 429 HG11 VAL 55 HG11 VAL 55 -6.138 -3.937 3.359 430 HG12 VAL 55 HG12 VAL 55 -5.495 -3.404 4.912 431 HG13 VAL 55 HG13 VAL 55 -5.482 -5.117 4.494 432 HG21 VAL 55 HG21 VAL 55 -2.920 -2.523 2.311 433 HG22 VAL 55 HG22 VAL 55 -3.904 -1.816 3.591 434 HG23 VAL 55 HG23 VAL 55 -4.672 -2.432 2.129 435 H LYS 56 H LYS 56 -4.533 -5.739 5.626 436 HA LYS 56 HA LYS 56 -2.732 -8.056 5.546 437 HB2 LYS 56 HB2 LYS 56 -2.533 -6.959 7.736 438 HB3 LYS 56 HB3 LYS 56 -4.275 -7.036 7.941 439 HG2 LYS 56 HG2 LYS 56 -4.166 -9.472 7.997 440 HG3 LYS 56 HG3 LYS 56 -2.414 -9.395 7.783 441 HD2 LYS 56 HD2 LYS 56 -2.196 -8.180 9.882 442 HD3 LYS 56 HD3 LYS 56 -3.949 -8.193 10.091 443 HE2 LYS 56 HE2 LYS 56 -3.905 -10.643 10.184 444 HE3 LYS 56 HE3 LYS 56 -2.153 -10.615 9.998 445 HZ1 LYS 56 HZ1 LYS 56 -2.873 -10.864 12.321 446 HZ2 LYS 56 HZ2 LYS 56 -3.626 -9.345 12.246 447 HZ3 LYS 56 HZ3 LYS 56 -1.940 -9.473 12.074 448 HA PRO 57 HA PRO 57 -6.342 -10.268 4.055 449 HB2 PRO 57 HB2 PRO 57 -5.048 -12.477 5.587 450 HB3 PRO 57 HB3 PRO 57 -5.642 -12.464 3.922 451 HG2 PRO 57 HG2 PRO 57 -3.033 -12.337 4.436 452 HG3 PRO 57 HG3 PRO 57 -3.747 -11.387 3.119 453 HD2 PRO 57 HD2 PRO 57 -2.834 -10.507 5.818 454 HD3 PRO 57 HD3 PRO 57 -2.763 -9.650 4.267 455 H ILE 58 H ILE 58 -8.308 -10.616 4.929 456 HA ILE 58 HA ILE 58 -8.820 -9.701 7.526 457 HB ILE 58 HB ILE 58 -10.778 -11.432 6.066 458 HG12 ILE 58 HG12 ILE 58 -10.158 -8.539 5.400 459 HG13 ILE 58 HG13 ILE 58 -9.748 -9.918 4.384 460 HG21 ILE 58 HG21 ILE 58 -11.403 -10.584 8.252 461 HG22 ILE 58 HG22 ILE 58 -12.396 -9.848 6.994 462 HG23 ILE 58 HG23 ILE 58 -11.075 -8.935 7.723 463 HD11 ILE 58 HD11 ILE 58 -12.532 -9.051 5.132 464 HD12 ILE 58 HD12 ILE 58 -12.115 -10.424 4.108 465 HD13 ILE 58 HD13 ILE 58 -11.740 -8.784 3.579 466 H LEU 59 H LEU 59 -9.722 -10.797 9.313 467 HA LEU 59 HA LEU 59 -8.987 -13.638 9.491 468 HG LEU 59 HG LEU 59 -6.830 -11.456 9.945 469 HB2 LEU 59 HB2 LEU 59 -8.666 -11.514 11.613 470 HB3 LEU 59 HB3 LEU 59 -8.371 -13.225 11.853 471 HD11 LEU 59 HD11 LEU 59 -6.380 -10.863 12.251 472 HD12 LEU 59 HD12 LEU 59 -5.001 -11.718 11.562 473 HD13 LEU 59 HD13 LEU 59 -6.099 -12.557 12.657 474 HD21 LEU 59 HD21 LEU 59 -6.387 -14.316 10.803 475 HD22 LEU 59 HD22 LEU 59 -5.315 -13.368 9.771 476 HD23 LEU 59 HD23 LEU 59 -6.936 -13.781 9.214 477 H GLU 60 H GLU 60 -10.328 -14.946 10.690 478 HA GLU 60 HA GLU 60 -13.037 -13.935 11.021 479 HB2 GLU 60 HB2 GLU 60 -11.993 -16.317 10.108 480 HB3 GLU 60 HB3 GLU 60 -12.493 -16.730 11.741 481 HG2 GLU 60 HG2 GLU 60 -14.336 -15.349 9.825 482 HG3 GLU 60 HG3 GLU 60 -14.157 -17.101 9.849 483 H HIS 61 H HIS 61 -14.233 -14.683 13.021 484 HA HIS 61 HA HIS 61 -12.967 -13.501 15.255 485 HD1 HIS 61 HD1 HIS 61 -16.850 -12.621 16.688 486 HD2 HIS 61 HD2 HIS 61 -14.765 -12.408 13.094 487 HE1 HIS 61 HE1 HIS 61 -17.585 -10.475 15.599 488 HE2 HIS 61 HE2 HIS 61 -16.166 -10.279 13.525 489 HB2 HIS 61 HB2 HIS 61 -15.536 -15.065 14.975 490 HB3 HIS 61 HB3 HIS 61 -15.016 -14.356 16.499 491 H HIS 62 H HIS 62 -11.875 -14.316 16.910 492 HA HIS 62 HA HIS 62 -11.869 -17.143 17.498 493 HD1 HIS 62 HD1 HIS 62 -9.760 -14.887 14.472 494 HD2 HIS 62 HD2 HIS 62 -7.663 -15.309 18.038 495 HE1 HIS 62 HE1 HIS 62 -7.983 -13.110 14.434 496 HE2 HIS 62 HE2 HIS 62 -6.845 -13.271 16.669 497 HB2 HIS 62 HB2 HIS 62 -9.405 -17.363 17.252 498 HB3 HIS 62 HB3 HIS 62 -10.223 -17.113 15.718 499 H HIS 63 H HIS 63 -10.711 -17.632 19.471 500 HA HIS 63 HA HIS 63 -10.149 -17.274 21.639 501 HD1 HIS 63 HD1 HIS 63 -8.411 -13.622 23.204 502 HD2 HIS 63 HD2 HIS 63 -7.626 -17.659 22.581 503 HE1 HIS 63 HE1 HIS 63 -7.028 -14.361 25.171 504 HE2 HIS 63 HE2 HIS 63 -6.798 -16.852 24.894 505 HB2 HIS 63 HB2 HIS 63 -8.427 -15.736 20.357 506 HB3 HIS 63 HB3 HIS 63 -9.373 -14.433 21.064 507 H HIS 64 H HIS 64 -10.346 -14.724 23.081 508 HA HIS 64 HA HIS 64 -11.787 -13.301 24.080 509 HD1 HIS 64 HD1 HIS 64 -15.987 -13.129 22.433 510 HD2 HIS 64 HD2 HIS 64 -12.998 -10.826 24.184 511 HE1 HIS 64 HE1 HIS 64 -17.182 -11.314 23.707 512 HE2 HIS 64 HE2 HIS 64 -15.357 -9.994 24.842 513 HB2 HIS 64 HB2 HIS 64 -12.529 -12.670 21.810 514 HB3 HIS 64 HB3 HIS 64 -13.728 -13.958 21.855 515 H HIS 65 H HIS 65 -12.999 -16.468 23.174 516 HA HIS 65 HA HIS 65 -15.038 -16.744 25.077 517 HD1 HIS 65 HD1 HIS 65 -16.258 -20.244 24.652 518 HD2 HIS 65 HD2 HIS 65 -15.311 -17.414 21.749 519 HE1 HIS 65 HE1 HIS 65 -18.156 -20.298 23.004 520 HE2 HIS 65 HE2 HIS 65 -17.616 -18.522 21.307 521 HB2 HIS 65 HB2 HIS 65 -13.262 -18.622 23.609 522 HB3 HIS 65 HB3 HIS 65 -14.058 -19.247 25.048 523 H HIS 66 H HIS 66 -11.565 -17.202 25.311 524 HA HIS 66 HA HIS 66 -11.682 -16.649 28.142 525 HD1 HIS 66 HD1 HIS 66 -8.362 -18.614 26.566 526 HD2 HIS 66 HD2 HIS 66 -11.687 -21.110 26.473 527 HE1 HIS 66 HE1 HIS 66 -7.777 -20.460 24.967 528 HE2 HIS 66 HE2 HIS 66 -9.719 -22.061 25.089 529 HB2 HIS 66 HB2 HIS 66 -10.185 -18.550 28.728 530 HB3 HIS 66 HB3 HIS 66 -11.784 -19.070 28.219