NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
545610 | 2lvb | 18561 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 7.176 13.690 -3.290 2 H2 MET 1 2H MET 1 8.453 14.539 -2.585 3 H3 MET 1 3H MET 1 7.026 15.346 -2.991 4 HA MET 1 HA MET 1 7.294 13.215 -0.972 5 HB2 MET 1 2HB MET 1 8.399 15.202 -0.169 6 HB3 MET 1 3HB MET 1 7.095 16.242 -0.725 7 HG2 MET 1 2HG MET 1 7.104 15.976 1.726 8 HG3 MET 1 3HG MET 1 5.614 15.365 1.002 9 HE1 MET 1 3HE MET 1 6.155 12.989 4.066 10 HE2 MET 1 1HE MET 1 5.010 14.043 3.235 11 HE3 MET 1 2HE MET 1 6.472 14.720 3.958 12 H GLY 2 H GLY 2 5.410 12.468 -0.104 13 HA2 GLY 2 2HA GLY 2 2.833 13.693 -0.571 14 HA3 GLY 2 3HA GLY 2 3.108 12.237 -1.526 15 H LYS 3 H LYS 3 1.636 10.897 -0.516 16 HA LYS 3 HA LYS 3 2.378 9.857 2.096 17 HB2 LYS 3 2HB LYS 3 0.839 11.684 2.702 18 HB3 LYS 3 3HB LYS 3 -0.385 11.050 1.609 19 HG2 LYS 3 2HG LYS 3 -0.639 9.050 2.992 20 HG3 LYS 3 3HG LYS 3 0.672 9.576 4.044 21 HD2 LYS 3 2HD LYS 3 -1.542 9.950 5.058 22 HD3 LYS 3 3HD LYS 3 -0.658 11.456 4.833 23 HE2 LYS 3 2HE LYS 3 -2.765 10.518 2.858 24 HE3 LYS 3 3HE LYS 3 -3.168 11.471 4.284 25 HZ1 LYS 3 3HZ LYS 3 -1.410 13.089 3.392 26 HZ2 LYS 3 1HZ LYS 3 -2.916 13.041 2.627 27 HZ3 LYS 3 2HZ LYS 3 -1.588 12.275 1.922 28 H VAL 4 H VAL 4 1.432 7.777 2.543 29 HA VAL 4 HA VAL 4 0.202 6.380 0.256 30 HB VAL 4 HB VAL 4 2.666 6.205 0.016 31 HG11 VAL 4 1HG1 VAL 4 4.043 4.963 1.580 32 HG12 VAL 4 2HG1 VAL 4 2.654 4.710 2.637 33 HG13 VAL 4 3HG1 VAL 4 3.295 6.343 2.395 34 HG21 VAL 4 3HG2 VAL 4 1.251 4.369 -0.820 35 HG22 VAL 4 1HG2 VAL 4 1.395 3.546 0.733 36 HG23 VAL 4 2HG2 VAL 4 2.822 3.774 -0.286 37 H LEU 5 H LEU 5 -0.937 4.506 0.784 38 HA LEU 5 HA LEU 5 -1.387 3.866 3.639 39 HB2 LEU 5 2HB LEU 5 -3.420 4.540 2.429 40 HB3 LEU 5 3HB LEU 5 -3.106 3.364 1.166 41 HG LEU 5 HG LEU 5 -3.491 1.510 2.816 42 HD11 LEU 5 1HD1 LEU 5 -4.494 1.983 5.006 43 HD12 LEU 5 2HD1 LEU 5 -4.236 3.712 4.754 44 HD13 LEU 5 3HD1 LEU 5 -2.855 2.620 4.877 45 HD21 LEU 5 3HD2 LEU 5 -5.796 3.469 2.586 46 HD22 LEU 5 1HD2 LEU 5 -5.935 1.755 2.996 47 HD23 LEU 5 2HD2 LEU 5 -5.343 2.236 1.407 48 H LEU 6 H LEU 6 -0.233 2.123 4.252 49 HA LEU 6 HA LEU 6 0.697 0.103 2.368 50 HB2 LEU 6 2HB LEU 6 2.222 1.008 4.115 51 HB3 LEU 6 3HB LEU 6 1.142 0.424 5.368 52 HG LEU 6 HG LEU 6 1.622 -1.940 4.625 53 HD11 LEU 6 1HD1 LEU 6 3.519 -2.390 3.150 54 HD12 LEU 6 2HD1 LEU 6 3.695 -0.662 2.828 55 HD13 LEU 6 3HD1 LEU 6 2.240 -1.518 2.306 56 HD21 LEU 6 3HD2 LEU 6 4.067 -0.338 5.431 57 HD22 LEU 6 1HD2 LEU 6 3.866 -2.084 5.608 58 HD23 LEU 6 2HD2 LEU 6 2.838 -0.981 6.519 59 H VAL 7 H VAL 7 -1.259 -0.917 1.804 60 HA VAL 7 HA VAL 7 -3.016 -2.151 3.749 61 HB VAL 7 HB VAL 7 -2.829 -2.467 0.713 62 HG11 VAL 7 1HG1 VAL 7 -5.070 -3.522 0.815 63 HG12 VAL 7 2HG1 VAL 7 -5.005 -3.485 2.577 64 HG13 VAL 7 3HG1 VAL 7 -3.862 -4.481 1.675 65 HG21 VAL 7 3HG2 VAL 7 -4.775 -0.857 2.403 66 HG22 VAL 7 1HG2 VAL 7 -4.837 -1.030 0.644 67 HG23 VAL 7 2HG2 VAL 7 -3.475 -0.199 1.404 68 H ILE 8 H ILE 8 -2.311 -3.883 4.861 69 HA ILE 8 HA ILE 8 -0.594 -5.900 3.545 70 HB ILE 8 HB ILE 8 -0.799 -5.329 6.539 71 HG12 ILE 8 2HG1 ILE 8 1.416 -4.627 4.558 72 HG13 ILE 8 3HG1 ILE 8 0.345 -3.485 5.361 73 HG21 ILE 8 1HG2 ILE 8 -0.285 -7.704 6.071 74 HG22 ILE 8 2HG2 ILE 8 1.122 -6.895 6.760 75 HG23 ILE 8 3HG2 ILE 8 1.055 -7.222 5.027 76 HD11 ILE 8 3HD1 ILE 8 2.596 -3.576 6.315 77 HD12 ILE 8 1HD1 ILE 8 2.328 -5.252 6.781 78 HD13 ILE 8 2HD1 ILE 8 1.339 -3.967 7.478 79 H SER 9 H SER 9 -1.357 -7.862 3.347 80 HA SER 9 HA SER 9 -3.191 -9.078 5.221 81 HB2 SER 9 2HB SER 9 -4.863 -8.139 3.732 82 HB3 SER 9 3HB SER 9 -3.945 -8.591 2.304 83 HG SER 9 HG SER 9 -5.345 -10.193 2.375 84 H THR 10 H THR 10 -3.085 -11.351 5.084 85 HA THR 10 HA THR 10 -0.779 -12.472 3.659 86 HB THR 10 HB THR 10 -1.413 -14.556 5.025 87 HG1 THR 10 HG1 THR 10 -3.186 -14.483 6.182 88 HG21 THR 10 3HG2 THR 10 -0.855 -12.007 6.599 89 HG22 THR 10 1HG2 THR 10 0.364 -12.994 5.785 90 HG23 THR 10 2HG2 THR 10 -0.540 -13.654 7.148 91 H ASP 11 H ASP 11 -4.154 -12.181 3.321 92 HA ASP 11 HA ASP 11 -4.557 -14.492 1.582 93 HB2 ASP 11 2HB ASP 11 -6.402 -12.279 2.586 94 HB3 ASP 11 3HB ASP 11 -6.927 -13.520 1.452 95 H THR 12 H THR 12 -3.259 -14.024 -0.215 96 HA THR 12 HA THR 12 -3.172 -11.588 -1.643 97 HB THR 12 HB THR 12 -2.176 -13.002 -3.512 98 HG1 THR 12 HG1 THR 12 -3.345 -14.951 -2.993 99 HG21 THR 12 3HG2 THR 12 -0.130 -13.615 -2.270 100 HG22 THR 12 1HG2 THR 12 -0.994 -13.442 -0.739 101 HG23 THR 12 2HG2 THR 12 -0.719 -12.030 -1.767 102 H ASN 13 H ASN 13 -5.455 -14.224 -1.752 103 HA ASN 13 HA ASN 13 -6.685 -13.609 -4.238 104 HB2 ASN 13 2HB ASN 13 -8.583 -14.993 -3.405 105 HB3 ASN 13 3HB ASN 13 -7.032 -15.792 -3.201 106 HD21 ASN 13 1HD2 ASN 13 -9.467 -16.414 -1.803 107 HD22 ASN 13 2HD2 ASN 13 -9.157 -16.171 -0.122 108 H ILE 14 H ILE 14 -7.193 -12.430 -0.918 109 HA ILE 14 HA ILE 14 -9.439 -10.741 -1.547 110 HB ILE 14 HB ILE 14 -7.546 -10.758 0.839 111 HG12 ILE 14 2HG1 ILE 14 -8.896 -12.789 0.747 112 HG13 ILE 14 3HG1 ILE 14 -9.494 -11.778 2.054 113 HG21 ILE 14 1HG2 ILE 14 -8.463 -8.502 0.625 114 HG22 ILE 14 2HG2 ILE 14 -9.184 -9.314 2.015 115 HG23 ILE 14 3HG2 ILE 14 -10.101 -9.149 0.517 116 HD11 ILE 14 3HD1 ILE 14 -11.373 -11.068 0.617 117 HD12 ILE 14 1HD1 ILE 14 -11.316 -12.811 0.872 118 HD13 ILE 14 2HD1 ILE 14 -10.776 -12.133 -0.660 119 H ILE 15 H ILE 15 -5.948 -10.229 -1.116 120 HA ILE 15 HA ILE 15 -5.769 -7.462 -1.332 121 HB ILE 15 HB ILE 15 -3.781 -9.580 -2.275 122 HG12 ILE 15 2HG1 ILE 15 -3.784 -8.015 0.341 123 HG13 ILE 15 3HG1 ILE 15 -4.468 -9.626 0.174 124 HG21 ILE 15 1HG2 ILE 15 -2.042 -7.821 -2.070 125 HG22 ILE 15 2HG2 ILE 15 -3.297 -6.627 -1.731 126 HG23 ILE 15 3HG2 ILE 15 -3.237 -7.421 -3.306 127 HD11 ILE 15 3HD1 ILE 15 -2.252 -9.676 1.136 128 HD12 ILE 15 1HD1 ILE 15 -1.589 -8.898 -0.297 129 HD13 ILE 15 2HD1 ILE 15 -2.290 -10.513 -0.412 130 H SER 16 H SER 16 -5.353 -9.907 -3.904 131 HA SER 16 HA SER 16 -5.090 -8.160 -6.071 132 HB2 SER 16 2HB SER 16 -4.399 -10.521 -6.162 133 HB3 SER 16 3HB SER 16 -6.076 -11.045 -6.032 134 HG SER 16 HG SER 16 -5.890 -11.028 -8.138 135 H SER 17 H SER 17 -7.982 -9.568 -4.547 136 HA SER 17 HA SER 17 -9.849 -8.977 -6.589 137 HB2 SER 17 2HB SER 17 -10.253 -10.605 -4.706 138 HB3 SER 17 3HB SER 17 -10.436 -9.236 -3.604 139 HG SER 17 HG SER 17 -11.988 -9.716 -5.934 140 H VAL 18 H VAL 18 -9.133 -7.291 -3.535 141 HA VAL 18 HA VAL 18 -10.780 -5.033 -3.950 142 HB VAL 18 HB VAL 18 -8.316 -5.350 -2.167 143 HG11 VAL 18 1HG1 VAL 18 -10.487 -3.218 -2.083 144 HG12 VAL 18 2HG1 VAL 18 -8.800 -2.965 -2.535 145 HG13 VAL 18 3HG1 VAL 18 -9.208 -3.423 -0.885 146 HG21 VAL 18 3HG2 VAL 18 -11.270 -5.648 -1.497 147 HG22 VAL 18 1HG2 VAL 18 -9.932 -5.786 -0.351 148 HG23 VAL 18 2HG2 VAL 18 -10.110 -6.971 -1.649 149 H GLN 19 H GLN 19 -7.441 -5.745 -4.719 150 HA GLN 19 HA GLN 19 -6.485 -3.221 -5.474 151 HB2 GLN 19 2HB GLN 19 -5.065 -5.153 -5.019 152 HB3 GLN 19 3HB GLN 19 -5.748 -6.019 -6.386 153 HG2 GLN 19 2HG GLN 19 -4.728 -4.266 -7.885 154 HG3 GLN 19 3HG GLN 19 -3.924 -3.612 -6.455 155 HE21 GLN 19 1HE2 GLN 19 -3.437 -6.250 -5.211 156 HE22 GLN 19 2HE2 GLN 19 -2.187 -6.978 -6.150 157 H GLU 20 H GLU 20 -8.043 -5.821 -7.365 158 HA GLU 20 HA GLU 20 -8.112 -4.540 -9.864 159 HB2 GLU 20 2HB GLU 20 -9.992 -6.591 -8.625 160 HB3 GLU 20 3HB GLU 20 -10.163 -6.032 -10.286 161 HG2 GLU 20 2HG GLU 20 -7.776 -7.499 -9.133 162 HG3 GLU 20 3HG GLU 20 -9.018 -8.192 -10.173 163 H ARG 21 H ARG 21 -10.551 -4.680 -7.269 164 HA ARG 21 HA ARG 21 -12.558 -3.110 -8.397 165 HB2 ARG 21 2HB ARG 21 -11.797 -3.373 -5.459 166 HB3 ARG 21 3HB ARG 21 -13.346 -2.775 -6.054 167 HG2 ARG 21 2HG ARG 21 -13.898 -4.955 -6.972 168 HG3 ARG 21 3HG ARG 21 -12.292 -5.570 -6.579 169 HD2 ARG 21 2HD ARG 21 -12.895 -4.961 -4.123 170 HD3 ARG 21 3HD ARG 21 -14.560 -4.885 -4.711 171 HE ARG 21 HE ARG 21 -13.248 -7.330 -5.439 172 HH11 ARG 21 1HH1 ARG 21 -14.946 -5.769 -2.768 173 HH12 ARG 21 2HH1 ARG 21 -15.412 -7.269 -2.032 174 HH21 ARG 21 1HH2 ARG 21 -13.790 -9.282 -4.416 175 HH22 ARG 21 2HH2 ARG 21 -14.748 -9.264 -2.976 176 H ALA 22 H ALA 22 -9.666 -2.157 -6.620 177 HA ALA 22 HA ALA 22 -10.404 0.570 -6.171 178 HB1 ALA 22 3HB ALA 22 -8.864 -0.613 -4.660 179 HB2 ALA 22 1HB ALA 22 -8.098 0.823 -5.344 180 HB3 ALA 22 2HB ALA 22 -7.689 -0.780 -5.968 181 H LYS 23 H LYS 23 -8.322 -1.140 -8.505 182 HA LYS 23 HA LYS 23 -7.359 1.235 -9.807 183 HB2 LYS 23 2HB LYS 23 -7.244 -1.700 -10.621 184 HB3 LYS 23 3HB LYS 23 -6.488 -0.404 -11.551 185 HG2 LYS 23 2HG LYS 23 -5.069 0.161 -9.601 186 HG3 LYS 23 3HG LYS 23 -5.808 -1.160 -8.686 187 HD2 LYS 23 2HD LYS 23 -4.936 -2.786 -10.356 188 HD3 LYS 23 3HD LYS 23 -4.188 -1.460 -11.252 189 HE2 LYS 23 2HE LYS 23 -2.777 -0.954 -9.267 190 HE3 LYS 23 3HE LYS 23 -3.501 -2.324 -8.421 191 HZ1 LYS 23 3HZ LYS 23 -1.915 -2.475 -10.932 192 HZ2 LYS 23 1HZ LYS 23 -2.603 -3.792 -10.121 193 HZ3 LYS 23 2HZ LYS 23 -1.368 -2.900 -9.388 194 H HIS 24 H HIS 24 -10.076 -0.947 -10.351 195 HA HIS 24 HA HIS 24 -10.639 0.111 -13.009 196 HB2 HIS 24 2HB HIS 24 -12.134 -1.953 -11.338 197 HB3 HIS 24 3HB HIS 24 -12.591 -1.477 -12.971 198 HD1 HIS 24 HD1 HIS 24 -10.108 -1.664 -14.588 199 HD2 HIS 24 HD2 HIS 24 -10.909 -4.368 -11.525 200 HE1 HIS 24 HE1 HIS 24 -8.747 -3.711 -15.114 201 HE2 HIS 24 HE2 HIS 24 -9.348 -5.365 -13.316 202 H ASN 25 H ASN 25 -11.875 0.480 -9.708 203 HA ASN 25 HA ASN 25 -14.146 2.120 -10.506 204 HB2 ASN 25 2HB ASN 25 -14.061 0.681 -8.366 205 HB3 ASN 25 3HB ASN 25 -12.993 1.895 -7.678 206 HD21 ASN 25 1HD2 ASN 25 -13.899 4.108 -7.501 207 HD22 ASN 25 2HD2 ASN 25 -15.595 4.293 -7.245 208 H TYR 26 H TYR 26 -10.848 2.576 -9.314 209 HA TYR 26 HA TYR 26 -11.037 5.500 -9.824 210 HB2 TYR 26 2HB TYR 26 -9.109 4.182 -7.849 211 HB3 TYR 26 3HB TYR 26 -9.414 5.904 -8.058 212 HD1 TYR 26 HD1 TYR 26 -11.770 6.812 -7.412 213 HD2 TYR 26 HD2 TYR 26 -10.406 2.918 -6.258 214 HE1 TYR 26 HE1 TYR 26 -13.544 6.685 -5.708 215 HE2 TYR 26 HE2 TYR 26 -12.178 2.804 -4.553 216 HH TYR 26 HH TYR 26 -14.797 5.015 -4.504 217 HA PRO 27 HA PRO 27 -8.057 3.508 -12.816 218 HB2 PRO 27 2HB PRO 27 -9.006 4.555 -15.133 219 HB3 PRO 27 3HB PRO 27 -9.834 3.215 -14.311 220 HG2 PRO 27 2HG PRO 27 -10.525 6.136 -14.303 221 HG3 PRO 27 3HG PRO 27 -11.597 4.724 -14.443 222 HD2 PRO 27 2HD PRO 27 -11.157 6.104 -12.073 223 HD3 PRO 27 3HD PRO 27 -11.698 4.415 -12.157 224 H GLY 28 H GLY 28 -8.805 6.818 -12.138 225 HA2 GLY 28 2HA GLY 28 -6.393 7.877 -13.467 226 HA3 GLY 28 3HA GLY 28 -7.718 8.808 -12.776 227 H ARG 29 H ARG 29 -6.256 6.107 -11.074 228 HA ARG 29 HA ARG 29 -4.806 7.970 -9.283 229 HB2 ARG 29 2HB ARG 29 -6.870 7.127 -8.177 230 HB3 ARG 29 3HB ARG 29 -6.357 5.468 -8.461 231 HG2 ARG 29 2HG ARG 29 -5.961 6.188 -6.123 232 HG3 ARG 29 3HG ARG 29 -4.458 5.748 -6.939 233 HD2 ARG 29 2HD ARG 29 -4.222 7.797 -5.550 234 HD3 ARG 29 3HD ARG 29 -3.902 8.117 -7.260 235 HE ARG 29 HE ARG 29 -6.634 8.606 -6.429 236 HH11 ARG 29 1HH1 ARG 29 -3.461 10.110 -6.736 237 HH12 ARG 29 2HH1 ARG 29 -4.108 11.720 -6.798 238 HH21 ARG 29 1HH2 ARG 29 -7.453 10.712 -6.605 239 HH22 ARG 29 2HH2 ARG 29 -6.363 12.057 -6.726 240 H GLU 30 H GLU 30 -2.740 7.465 -8.917 241 HA GLU 30 HA GLU 30 -1.458 5.116 -9.970 242 HB2 GLU 30 2HB GLU 30 -0.433 7.220 -8.012 243 HB3 GLU 30 3HB GLU 30 0.561 6.031 -8.846 244 HG2 GLU 30 2HG GLU 30 -0.997 8.277 -10.165 245 HG3 GLU 30 3HG GLU 30 0.733 8.292 -9.827 246 H ILE 31 H ILE 31 -2.071 3.258 -9.010 247 HA ILE 31 HA ILE 31 -1.973 2.977 -6.052 248 HB ILE 31 HB ILE 31 -3.483 1.326 -8.139 249 HG12 ILE 31 2HG1 ILE 31 -4.519 3.121 -5.896 250 HG13 ILE 31 3HG1 ILE 31 -4.515 3.532 -7.608 251 HG21 ILE 31 1HG2 ILE 31 -3.390 0.880 -5.130 252 HG22 ILE 31 2HG2 ILE 31 -2.643 -0.156 -6.347 253 HG23 ILE 31 3HG2 ILE 31 -4.400 -0.009 -6.277 254 HD11 ILE 31 3HD1 ILE 31 -6.065 1.686 -8.036 255 HD12 ILE 31 1HD1 ILE 31 -6.707 2.867 -6.896 256 HD13 ILE 31 2HD1 ILE 31 -6.094 1.320 -6.308 257 H ARG 32 H ARG 32 -0.731 1.215 -5.240 258 HA ARG 32 HA ARG 32 1.212 0.021 -7.142 259 HB2 ARG 32 2HB ARG 32 1.669 1.209 -4.380 260 HB3 ARG 32 3HB ARG 32 2.811 0.076 -5.094 261 HG2 ARG 32 2HG ARG 32 2.046 2.793 -6.207 262 HG3 ARG 32 3HG ARG 32 3.574 2.352 -5.438 263 HD2 ARG 32 2HD ARG 32 3.773 0.575 -7.332 264 HD3 ARG 32 3HD ARG 32 2.508 1.499 -8.140 265 HE ARG 32 HE ARG 32 4.007 3.381 -8.251 266 HH11 ARG 32 1HH1 ARG 32 5.532 0.345 -7.316 267 HH12 ARG 32 2HH1 ARG 32 7.116 0.857 -7.780 268 HH21 ARG 32 1HH2 ARG 32 6.116 4.016 -8.886 269 HH22 ARG 32 2HH2 ARG 32 7.442 2.926 -8.663 270 H THR 33 H THR 33 2.296 -1.908 -6.300 271 HA THR 33 HA THR 33 0.873 -3.558 -4.371 272 HB THR 33 HB THR 33 1.163 -4.496 -7.272 273 HG1 THR 33 HG1 THR 33 -1.000 -3.375 -5.849 274 HG21 THR 33 3HG2 THR 33 1.321 -6.335 -5.618 275 HG22 THR 33 1HG2 THR 33 -0.183 -6.434 -6.538 276 HG23 THR 33 2HG2 THR 33 -0.200 -5.812 -4.888 277 H ALA 34 H ALA 34 2.581 -4.208 -3.143 278 HA ALA 34 HA ALA 34 5.229 -4.608 -4.406 279 HB1 ALA 34 3HB ALA 34 5.149 -2.924 -2.630 280 HB2 ALA 34 1HB ALA 34 6.163 -4.287 -2.157 281 HB3 ALA 34 2HB ALA 34 4.535 -4.121 -1.492 282 H THR 35 H THR 35 6.213 -6.521 -4.380 283 HA THR 35 HA THR 35 5.092 -8.837 -2.961 284 HB THR 35 HB THR 35 7.401 -8.628 -4.952 285 HG1 THR 35 HG1 THR 35 4.647 -9.171 -5.224 286 HG21 THR 35 3HG2 THR 35 7.304 -11.074 -5.111 287 HG22 THR 35 1HG2 THR 35 6.029 -11.129 -3.898 288 HG23 THR 35 2HG2 THR 35 7.651 -10.596 -3.447 289 H SER 36 H SER 36 8.065 -6.880 -3.166 290 HA SER 36 HA SER 36 8.901 -7.648 -0.476 291 HB2 SER 36 2HB SER 36 10.653 -8.265 -2.906 292 HB3 SER 36 3HB SER 36 11.157 -8.413 -1.221 293 HG SER 36 HG SER 36 9.146 -9.857 -1.144 294 H SER 37 H SER 37 11.377 -6.648 -0.349 295 HA SER 37 HA SER 37 10.922 -3.932 0.071 296 HB2 SER 37 2HB SER 37 13.590 -5.383 -0.049 297 HB3 SER 37 3HB SER 37 13.273 -3.844 0.757 298 HG SER 37 HG SER 37 11.526 -5.705 1.599 299 H GLN 38 H GLN 38 12.263 -5.521 -2.742 300 HA GLN 38 HA GLN 38 13.564 -3.435 -4.071 301 HB2 GLN 38 2HB GLN 38 13.716 -5.709 -4.893 302 HB3 GLN 38 3HB GLN 38 11.978 -5.831 -5.083 303 HG2 GLN 38 2HG GLN 38 13.013 -5.670 -7.262 304 HG3 GLN 38 3HG GLN 38 12.077 -4.209 -6.959 305 HE21 GLN 38 1HE2 GLN 38 15.295 -5.536 -7.323 306 HE22 GLN 38 2HE2 GLN 38 16.094 -4.021 -7.540 307 H ASP 39 H ASP 39 10.153 -4.466 -4.258 308 HA ASP 39 HA ASP 39 9.241 -2.364 -5.931 309 HB2 ASP 39 2HB ASP 39 7.578 -3.975 -3.939 310 HB3 ASP 39 3HB ASP 39 6.980 -3.099 -5.344 311 H ILE 40 H ILE 40 9.100 -2.919 -2.427 312 HA ILE 40 HA ILE 40 7.753 -0.785 -1.404 313 HB ILE 40 HB ILE 40 10.238 -2.205 -0.400 314 HG12 ILE 40 2HG1 ILE 40 8.204 -3.609 -0.547 315 HG13 ILE 40 3HG1 ILE 40 8.718 -3.414 1.121 316 HG21 ILE 40 1HG2 ILE 40 10.308 -0.048 0.688 317 HG22 ILE 40 2HG2 ILE 40 9.868 -1.293 1.858 318 HG23 ILE 40 3HG2 ILE 40 8.630 -0.215 1.209 319 HD11 ILE 40 3HD1 ILE 40 6.315 -3.343 0.916 320 HD12 ILE 40 1HD1 ILE 40 6.414 -1.985 -0.203 321 HD13 ILE 40 2HD1 ILE 40 6.924 -1.787 1.477 322 H ARG 41 H ARG 41 11.239 -0.808 -2.192 323 HA ARG 41 HA ARG 41 11.697 1.928 -1.477 324 HB2 ARG 41 2HB ARG 41 13.390 -0.150 -2.919 325 HB3 ARG 41 3HB ARG 41 13.963 1.494 -2.631 326 HG2 ARG 41 2HG ARG 41 13.811 1.188 -0.223 327 HG3 ARG 41 3HG ARG 41 13.085 -0.409 -0.429 328 HD2 ARG 41 2HD ARG 41 15.122 -1.343 -1.239 329 HD3 ARG 41 3HD ARG 41 15.842 0.247 -1.501 330 HE ARG 41 HE ARG 41 16.270 0.454 0.770 331 HH11 ARG 41 1HH1 ARG 41 14.653 -2.611 0.204 332 HH12 ARG 41 2HH1 ARG 41 15.067 -3.246 1.764 333 HH21 ARG 41 1HH2 ARG 41 16.805 -0.377 2.787 334 HH22 ARG 41 2HH2 ARG 41 16.294 -1.972 3.231 335 H ASP 42 H ASP 42 11.084 0.226 -4.545 336 HA ASP 42 HA ASP 42 11.500 2.383 -6.330 337 HB2 ASP 42 2HB ASP 42 11.277 -0.003 -7.043 338 HB3 ASP 42 3HB ASP 42 9.578 0.017 -6.598 339 H ILE 43 H ILE 43 8.806 1.539 -4.257 340 HA ILE 43 HA ILE 43 6.795 3.248 -5.384 341 HB ILE 43 HB ILE 43 7.013 1.831 -2.691 342 HG12 ILE 43 2HG1 ILE 43 5.232 1.135 -5.068 343 HG13 ILE 43 3HG1 ILE 43 6.811 0.413 -4.806 344 HG21 ILE 43 1HG2 ILE 43 4.617 2.286 -2.351 345 HG22 ILE 43 2HG2 ILE 43 4.584 3.260 -3.817 346 HG23 ILE 43 3HG2 ILE 43 5.542 3.785 -2.431 347 HD11 ILE 43 3HD1 ILE 43 6.005 -0.495 -2.656 348 HD12 ILE 43 1HD1 ILE 43 5.103 -1.080 -4.052 349 HD13 ILE 43 2HD1 ILE 43 4.406 0.160 -3.016 350 H ILE 44 H ILE 44 8.826 3.437 -2.439 351 HA ILE 44 HA ILE 44 7.954 5.990 -1.562 352 HB ILE 44 HB ILE 44 10.531 4.458 -0.957 353 HG12 ILE 44 2HG1 ILE 44 7.934 4.618 0.662 354 HG13 ILE 44 3HG1 ILE 44 8.380 3.268 -0.373 355 HG21 ILE 44 1HG2 ILE 44 10.749 5.849 1.080 356 HG22 ILE 44 2HG2 ILE 44 9.348 6.802 0.583 357 HG23 ILE 44 3HG2 ILE 44 10.826 6.840 -0.381 358 HD11 ILE 44 3HD1 ILE 44 9.829 4.150 2.123 359 HD12 ILE 44 1HD1 ILE 44 10.316 2.820 1.066 360 HD13 ILE 44 2HD1 ILE 44 8.787 2.738 1.939 361 H LYS 45 H LYS 45 10.484 4.944 -3.781 362 HA LYS 45 HA LYS 45 11.687 7.468 -4.316 363 HB2 LYS 45 2HB LYS 45 12.885 5.446 -4.822 364 HB3 LYS 45 3HB LYS 45 11.598 4.843 -5.847 365 HG2 LYS 45 2HG LYS 45 12.944 7.403 -6.674 366 HG3 LYS 45 3HG LYS 45 13.872 5.912 -6.831 367 HD2 LYS 45 2HD LYS 45 11.137 6.417 -8.087 368 HD3 LYS 45 3HD LYS 45 12.681 6.531 -8.937 369 HE2 LYS 45 2HE LYS 45 13.088 4.135 -8.568 370 HE3 LYS 45 3HE LYS 45 11.601 4.003 -7.628 371 HZ1 LYS 45 3HZ LYS 45 11.326 3.209 -9.892 372 HZ2 LYS 45 1HZ LYS 45 11.751 4.726 -10.503 373 HZ3 LYS 45 2HZ LYS 45 10.338 4.545 -9.596 374 H SER 46 H SER 46 8.932 5.726 -5.764 375 HA SER 46 HA SER 46 8.330 7.517 -7.863 376 HB2 SER 46 2HB SER 46 7.358 5.231 -7.626 377 HB3 SER 46 3HB SER 46 6.387 5.790 -6.265 378 HG SER 46 HG SER 46 6.260 6.689 -8.958 379 H MET 47 H MET 47 7.715 7.679 -4.431 380 HA MET 47 HA MET 47 5.874 9.907 -4.479 381 HB2 MET 47 2HB MET 47 7.520 8.843 -2.141 382 HB3 MET 47 3HB MET 47 6.095 9.876 -2.040 383 HG2 MET 47 2HG MET 47 4.715 8.057 -2.953 384 HG3 MET 47 3HG MET 47 6.143 7.033 -3.071 385 HE1 MET 47 3HE MET 47 4.161 8.390 0.836 386 HE2 MET 47 1HE MET 47 3.524 8.700 -0.776 387 HE3 MET 47 2HE MET 47 4.984 9.529 -0.228 388 H LYS 48 H LYS 48 9.379 9.446 -4.057 389 HA LYS 48 HA LYS 48 10.086 12.117 -3.517 390 HB2 LYS 48 2HB LYS 48 11.745 10.047 -5.010 391 HB3 LYS 48 3HB LYS 48 12.360 11.540 -4.302 392 HG2 LYS 48 2HG LYS 48 11.222 9.151 -2.836 393 HG3 LYS 48 3HG LYS 48 12.898 9.712 -2.849 394 HD2 LYS 48 2HD LYS 48 12.082 11.865 -1.754 395 HD3 LYS 48 3HD LYS 48 10.497 11.095 -1.581 396 HE2 LYS 48 2HE LYS 48 11.778 10.879 0.490 397 HE3 LYS 48 3HE LYS 48 11.543 9.289 -0.245 398 HZ1 LYS 48 3HZ LYS 48 13.789 9.527 -1.221 399 HZ2 LYS 48 1HZ LYS 48 13.794 9.482 0.464 400 HZ3 LYS 48 2HZ LYS 48 13.999 10.947 -0.335 401 H ASP 49 H ASP 49 9.448 10.552 -6.649 402 HA ASP 49 HA ASP 49 10.680 12.423 -8.353 403 HB2 ASP 49 2HB ASP 49 8.275 10.633 -8.904 404 HB3 ASP 49 3HB ASP 49 9.164 11.509 -10.148 405 H ASN 50 H ASN 50 7.339 12.327 -7.137 406 HA ASN 50 HA ASN 50 7.252 15.250 -7.222 407 HB2 ASN 50 2HB ASN 50 6.132 14.615 -9.356 408 HB3 ASN 50 3HB ASN 50 5.025 13.567 -8.471 409 HD21 ASN 50 1HD2 ASN 50 5.912 16.903 -9.119 410 HD22 ASN 50 2HD2 ASN 50 4.451 17.616 -8.533 411 H GLY 51 H GLY 51 5.142 12.450 -6.598 412 HA2 GLY 51 2HA GLY 51 4.806 11.714 -4.277 413 HA3 GLY 51 3HA GLY 51 4.693 13.399 -3.815 414 H LYS 52 H LYS 52 2.990 10.668 -4.762 415 HA LYS 52 HA LYS 52 0.466 12.181 -5.092 416 HB2 LYS 52 2HB LYS 52 -0.343 10.525 -6.678 417 HB3 LYS 52 3HB LYS 52 1.197 11.135 -7.260 418 HG2 LYS 52 2HG LYS 52 1.049 8.554 -5.695 419 HG3 LYS 52 3HG LYS 52 0.681 8.587 -7.414 420 HD2 LYS 52 2HD LYS 52 3.314 9.599 -6.274 421 HD3 LYS 52 3HD LYS 52 3.066 7.926 -6.777 422 HE2 LYS 52 2HE LYS 52 2.432 8.812 -9.073 423 HE3 LYS 52 3HE LYS 52 2.960 10.407 -8.526 424 HZ1 LYS 52 3HZ LYS 52 4.656 7.972 -8.611 425 HZ2 LYS 52 1HZ LYS 52 5.165 9.515 -8.153 426 HZ3 LYS 52 2HZ LYS 52 4.690 9.220 -9.746 427 HA PRO 53 HA PRO 53 -1.251 9.421 -1.850 428 HB2 PRO 53 2HB PRO 53 -3.725 9.273 -3.563 429 HB3 PRO 53 3HB PRO 53 -3.563 9.771 -1.865 430 HG2 PRO 53 2HG PRO 53 -4.021 11.585 -3.761 431 HG3 PRO 53 3HG PRO 53 -2.909 11.943 -2.417 432 HD2 PRO 53 2HD PRO 53 -2.241 11.151 -5.255 433 HD3 PRO 53 3HD PRO 53 -1.485 12.390 -4.223 434 H LEU 54 H LEU 54 0.054 7.599 -2.226 435 HA LEU 54 HA LEU 54 -0.764 5.634 -4.285 436 HB2 LEU 54 2HB LEU 54 1.667 5.870 -2.480 437 HB3 LEU 54 3HB LEU 54 1.326 4.382 -3.349 438 HG LEU 54 HG LEU 54 1.816 7.087 -4.667 439 HD11 LEU 54 1HD1 LEU 54 3.859 6.206 -3.621 440 HD12 LEU 54 2HD1 LEU 54 3.969 6.210 -5.378 441 HD13 LEU 54 3HD1 LEU 54 3.673 4.696 -4.517 442 HD21 LEU 54 3HD2 LEU 54 0.352 5.709 -6.027 443 HD22 LEU 54 1HD2 LEU 54 1.449 4.333 -5.890 444 HD23 LEU 54 2HD2 LEU 54 1.945 5.783 -6.768 445 H VAL 55 H VAL 55 -1.526 3.603 -3.786 446 HA VAL 55 HA VAL 55 -1.959 2.898 -0.922 447 HB VAL 55 HB VAL 55 -3.755 2.105 -3.286 448 HG11 VAL 55 1HG1 VAL 55 -3.735 0.401 -1.513 449 HG12 VAL 55 2HG1 VAL 55 -5.299 1.218 -1.555 450 HG13 VAL 55 3HG1 VAL 55 -4.123 1.626 -0.301 451 HG21 VAL 55 3HG2 VAL 55 -5.476 3.609 -2.322 452 HG22 VAL 55 1HG2 VAL 55 -4.030 4.506 -2.802 453 HG23 VAL 55 2HG2 VAL 55 -4.321 4.147 -1.098 454 H VAL 56 H VAL 56 -0.223 1.531 -0.599 455 HA VAL 56 HA VAL 56 0.636 -0.360 -2.651 456 HB VAL 56 HB VAL 56 1.660 0.037 0.200 457 HG11 VAL 56 1HG1 VAL 56 3.657 -1.252 -0.515 458 HG12 VAL 56 2HG1 VAL 56 2.905 -1.555 -2.083 459 HG13 VAL 56 3HG1 VAL 56 2.193 -2.236 -0.618 460 HG21 VAL 56 3HG2 VAL 56 3.514 1.258 -0.804 461 HG22 VAL 56 1HG2 VAL 56 1.984 2.012 -1.255 462 HG23 VAL 56 2HG2 VAL 56 2.845 1.004 -2.418 463 H PHE 57 H PHE 57 -0.841 -1.989 -2.884 464 HA PHE 57 HA PHE 57 -1.696 -3.666 -0.676 465 HB2 PHE 57 2HB PHE 57 -1.764 -4.021 -3.714 466 HB3 PHE 57 3HB PHE 57 -2.426 -5.187 -2.586 467 HD1 PHE 57 HD1 PHE 57 -2.915 -1.861 -4.111 468 HD2 PHE 57 HD2 PHE 57 -4.515 -4.753 -1.387 469 HE1 PHE 57 HE1 PHE 57 -5.081 -0.694 -4.130 470 HE2 PHE 57 HE2 PHE 57 -6.668 -3.575 -1.410 471 HZ PHE 57 HZ PHE 57 -6.956 -1.549 -2.781 472 H VAL 58 H VAL 58 0.051 -4.692 0.381 473 HA VAL 58 HA VAL 58 2.209 -5.843 -1.224 474 HB VAL 58 HB VAL 58 3.260 -6.569 0.869 475 HG11 VAL 58 1HG1 VAL 58 2.379 -3.665 1.000 476 HG12 VAL 58 2HG1 VAL 58 3.734 -4.304 0.070 477 HG13 VAL 58 3HG1 VAL 58 3.779 -4.354 1.831 478 HG21 VAL 58 3HG2 VAL 58 2.373 -5.947 3.091 479 HG22 VAL 58 1HG2 VAL 58 1.309 -7.080 2.255 480 HG23 VAL 58 2HG2 VAL 58 0.886 -5.370 2.332 481 H ASN 59 H ASN 59 1.863 -7.690 -2.245 482 HA ASN 59 HA ASN 59 -0.211 -9.557 -1.612 483 HB2 ASN 59 2HB ASN 59 2.102 -9.687 -3.593 484 HB3 ASN 59 3HB ASN 59 0.996 -11.034 -3.378 485 HD21 ASN 59 1HD2 ASN 59 1.487 -9.508 -5.770 486 HD22 ASN 59 2HD2 ASN 59 -0.025 -8.818 -6.232 487 H GLY 60 H GLY 60 0.329 -9.930 0.622 488 HA2 GLY 60 2HA GLY 60 1.138 -11.148 2.371 489 HA3 GLY 60 3HA GLY 60 1.455 -12.400 1.181 490 H ALA 61 H ALA 61 2.962 -9.176 1.468 491 HA ALA 61 HA ALA 61 5.613 -10.173 1.180 492 HB1 ALA 61 3HB ALA 61 4.999 -7.881 0.505 493 HB2 ALA 61 1HB ALA 61 6.343 -7.867 1.648 494 HB3 ALA 61 2HB ALA 61 4.714 -7.445 2.191 495 H SER 62 H SER 62 7.259 -10.393 2.711 496 HA SER 62 HA SER 62 6.565 -11.463 5.241 497 HB2 SER 62 2HB SER 62 9.305 -10.517 4.275 498 HB3 SER 62 3HB SER 62 8.991 -11.669 5.576 499 HG SER 62 HG SER 62 8.979 -12.029 2.844 500 H GLN 63 H GLN 63 7.146 -10.655 7.361 501 HA GLN 63 HA GLN 63 6.512 -7.972 7.887 502 HB2 GLN 63 2HB GLN 63 6.222 -9.768 9.571 503 HB3 GLN 63 3HB GLN 63 7.967 -9.941 9.713 504 HG2 GLN 63 2HG GLN 63 6.978 -8.657 11.598 505 HG3 GLN 63 3HG GLN 63 8.157 -7.711 10.687 506 HE21 GLN 63 1HE2 GLN 63 7.341 -5.731 11.296 507 HE22 GLN 63 2HE2 GLN 63 5.809 -5.124 10.778 508 H ASN 64 H ASN 64 9.561 -9.516 7.182 509 HA ASN 64 HA ASN 64 11.412 -7.560 7.865 510 HB2 ASN 64 2HB ASN 64 12.045 -9.798 7.034 511 HB3 ASN 64 3HB ASN 64 11.408 -9.417 5.439 512 HD21 ASN 64 1HD2 ASN 64 12.592 -7.954 4.103 513 HD22 ASN 64 2HD2 ASN 64 14.248 -7.591 4.428 514 H ASP 65 H ASP 65 9.530 -7.926 4.827 515 HA ASP 65 HA ASP 65 10.539 -5.605 3.533 516 HB2 ASP 65 2HB ASP 65 7.858 -6.947 2.998 517 HB3 ASP 65 3HB ASP 65 8.756 -5.915 1.889 518 H VAL 66 H VAL 66 7.793 -6.159 5.675 519 HA VAL 66 HA VAL 66 6.484 -3.661 5.459 520 HB VAL 66 HB VAL 66 6.627 -5.585 7.834 521 HG11 VAL 66 1HG1 VAL 66 4.638 -3.336 7.324 522 HG12 VAL 66 2HG1 VAL 66 5.873 -3.361 8.586 523 HG13 VAL 66 3HG1 VAL 66 4.539 -4.515 8.636 524 HG21 VAL 66 3HG2 VAL 66 4.461 -6.457 7.000 525 HG22 VAL 66 1HG2 VAL 66 5.736 -6.646 5.791 526 HG23 VAL 66 2HG2 VAL 66 4.544 -5.354 5.623 527 H ASN 67 H ASN 67 9.062 -4.852 7.592 528 HA ASN 67 HA ASN 67 9.432 -2.513 9.147 529 HB2 ASN 67 2HB ASN 67 11.387 -4.774 8.526 530 HB3 ASN 67 3HB ASN 67 11.675 -3.523 9.734 531 HD21 ASN 67 1HD2 ASN 67 11.459 -6.422 9.993 532 HD22 ASN 67 2HD2 ASN 67 10.212 -6.719 11.150 533 H GLU 68 H GLU 68 10.945 -3.692 6.134 534 HA GLU 68 HA GLU 68 12.839 -1.657 5.774 535 HB2 GLU 68 2HB GLU 68 11.343 -3.216 3.618 536 HB3 GLU 68 3HB GLU 68 12.805 -2.265 3.354 537 HG2 GLU 68 2HG GLU 68 12.552 -4.766 5.035 538 HG3 GLU 68 3HG GLU 68 13.323 -4.640 3.465 539 H PHE 69 H PHE 69 9.408 -1.863 4.825 540 HA PHE 69 HA PHE 69 9.195 0.469 3.287 541 HB2 PHE 69 2HB PHE 69 7.442 -1.304 3.403 542 HB3 PHE 69 3HB PHE 69 7.069 -0.828 5.052 543 HD1 PHE 69 HD1 PHE 69 5.802 1.268 5.505 544 HD2 PHE 69 HD2 PHE 69 6.716 0.060 1.499 545 HE1 PHE 69 HE1 PHE 69 4.138 2.850 4.636 546 HE2 PHE 69 HE2 PHE 69 5.047 1.644 0.647 547 HZ PHE 69 HZ PHE 69 3.762 3.024 2.214 548 H GLN 70 H GLN 70 8.576 -0.079 6.719 549 HA GLN 70 HA GLN 70 7.808 2.511 7.445 550 HB2 GLN 70 2HB GLN 70 9.067 0.295 9.116 551 HB3 GLN 70 3HB GLN 70 8.319 1.743 9.792 552 HG2 GLN 70 2HG GLN 70 6.149 1.102 8.925 553 HG3 GLN 70 3HG GLN 70 6.847 -0.261 8.050 554 HE21 GLN 70 1HE2 GLN 70 7.534 -2.097 9.249 555 HE22 GLN 70 2HE2 GLN 70 6.944 -2.400 10.841 556 H ASN 71 H ASN 71 10.992 0.908 7.591 557 HA ASN 71 HA ASN 71 12.448 2.989 8.831 558 HB2 ASN 71 2HB ASN 71 13.440 0.694 7.075 559 HB3 ASN 71 3HB ASN 71 14.496 1.745 8.016 560 HD21 ASN 71 1HD2 ASN 71 14.228 -1.108 8.183 561 HD22 ASN 71 2HD2 ASN 71 13.728 -1.477 9.795 562 H GLU 72 H GLU 72 12.190 2.037 5.392 563 HA GLU 72 HA GLU 72 13.959 3.982 4.360 564 HB2 GLU 72 2HB GLU 72 11.747 2.450 2.933 565 HB3 GLU 72 3HB GLU 72 12.956 3.438 2.117 566 HG2 GLU 72 2HG GLU 72 13.489 0.932 3.741 567 HG3 GLU 72 3HG GLU 72 13.491 1.050 1.984 568 H ALA 73 H ALA 73 10.513 4.083 5.077 569 HA ALA 73 HA ALA 73 10.008 6.542 3.660 570 HB1 ALA 73 3HB ALA 73 7.800 6.462 4.719 571 HB2 ALA 73 1HB ALA 73 8.338 5.148 5.776 572 HB3 ALA 73 2HB ALA 73 8.224 4.892 4.034 573 H LYS 74 H LYS 74 10.434 5.705 7.149 574 HA LYS 74 HA LYS 74 9.900 8.373 8.038 575 HB2 LYS 74 2HB LYS 74 10.444 7.560 10.321 576 HB3 LYS 74 3HB LYS 74 9.284 6.547 9.490 577 HG2 LYS 74 2HG LYS 74 10.610 4.973 10.556 578 HG3 LYS 74 3HG LYS 74 11.324 5.017 8.951 579 HD2 LYS 74 2HD LYS 74 13.076 4.925 10.648 580 HD3 LYS 74 3HD LYS 74 13.144 6.473 9.805 581 HE2 LYS 74 2HE LYS 74 12.006 7.564 11.702 582 HE3 LYS 74 3HE LYS 74 11.881 6.011 12.533 583 HZ1 LYS 74 3HZ LYS 74 14.277 5.899 12.637 584 HZ2 LYS 74 1HZ LYS 74 13.738 7.336 13.341 585 HZ3 LYS 74 2HZ LYS 74 14.425 7.358 11.797 586 H LYS 75 H LYS 75 12.885 6.655 7.281 587 HA LYS 75 HA LYS 75 14.701 8.475 8.511 588 HB2 LYS 75 2HB LYS 75 16.450 7.404 7.243 589 HB3 LYS 75 3HB LYS 75 15.315 6.159 7.756 590 HG2 LYS 75 2HG LYS 75 14.315 6.092 5.541 591 HG3 LYS 75 3HG LYS 75 15.326 7.439 5.013 592 HD2 LYS 75 2HD LYS 75 17.345 5.930 5.486 593 HD3 LYS 75 3HD LYS 75 16.190 4.600 5.664 594 HE2 LYS 75 2HE LYS 75 15.361 5.050 3.378 595 HE3 LYS 75 3HE LYS 75 16.549 6.343 3.211 596 HZ1 LYS 75 3HZ LYS 75 17.303 4.308 2.169 597 HZ2 LYS 75 1HZ LYS 75 17.154 3.462 3.621 598 HZ3 LYS 75 2HZ LYS 75 18.302 4.692 3.472 599 H GLU 76 H GLU 76 12.963 8.502 5.502 600 HA GLU 76 HA GLU 76 14.451 10.757 4.362 601 HB2 GLU 76 2HB GLU 76 12.083 9.169 3.281 602 HB3 GLU 76 3HB GLU 76 13.008 10.370 2.381 603 HG2 GLU 76 2HG GLU 76 14.068 7.728 3.436 604 HG3 GLU 76 3HG GLU 76 13.631 8.070 1.765 605 H GLY 77 H GLY 77 11.675 10.163 6.282 606 HA2 GLY 77 2HA GLY 77 10.389 11.756 7.398 607 HA3 GLY 77 3HA GLY 77 10.851 12.982 6.229 608 H VAL 78 H VAL 78 9.945 10.207 4.607 609 HA VAL 78 HA VAL 78 7.633 11.269 3.409 610 HB VAL 78 HB VAL 78 8.680 8.399 3.528 611 HG11 VAL 78 1HG1 VAL 78 6.479 9.476 1.728 612 HG12 VAL 78 2HG1 VAL 78 6.267 8.308 3.035 613 HG13 VAL 78 3HG1 VAL 78 7.212 7.874 1.609 614 HG21 VAL 78 3HG2 VAL 78 10.184 9.969 2.377 615 HG22 VAL 78 1HG2 VAL 78 8.860 10.499 1.333 616 HG23 VAL 78 2HG2 VAL 78 9.468 8.845 1.217 617 H SER 79 H SER 79 5.585 11.321 4.051 618 HA SER 79 HA SER 79 4.701 10.269 6.582 619 HB2 SER 79 2HB SER 79 3.234 11.786 4.374 620 HB3 SER 79 3HB SER 79 2.542 11.397 5.955 621 HG SER 79 HG SER 79 5.018 12.664 5.949 622 H TYR 80 H TYR 80 3.699 8.370 6.893 623 HA TYR 80 HA TYR 80 2.332 6.989 4.685 624 HB2 TYR 80 2HB TYR 80 3.514 4.870 5.121 625 HB3 TYR 80 3HB TYR 80 4.627 6.120 4.599 626 HD1 TYR 80 HD2 TYR 80 5.873 7.416 6.583 627 HD2 TYR 80 HD1 TYR 80 4.144 3.525 6.969 628 HE1 TYR 80 HE2 TYR 80 7.369 6.942 8.467 629 HE2 TYR 80 HE1 TYR 80 5.645 3.054 8.857 630 HH TYR 80 HH TYR 80 7.903 3.882 9.674 631 H ASP 81 H ASP 81 0.858 5.480 5.318 632 HA ASP 81 HA ASP 81 0.207 5.196 8.197 633 HB2 ASP 81 2HB ASP 81 -1.533 6.525 7.033 634 HB3 ASP 81 3HB ASP 81 -1.703 5.273 5.808 635 H VAL 82 H VAL 82 -0.405 3.064 8.830 636 HA VAL 82 HA VAL 82 0.211 0.906 6.884 637 HB VAL 82 HB VAL 82 0.932 0.945 9.857 638 HG11 VAL 82 1HG1 VAL 82 2.063 -1.224 9.445 639 HG12 VAL 82 2HG1 VAL 82 1.457 -1.222 7.788 640 HG13 VAL 82 3HG1 VAL 82 0.325 -1.336 9.139 641 HG21 VAL 82 3HG2 VAL 82 3.298 0.918 9.108 642 HG22 VAL 82 1HG2 VAL 82 2.460 2.369 8.546 643 HG23 VAL 82 2HG2 VAL 82 2.764 1.036 7.429 644 H LEU 83 H LEU 83 -1.181 -0.763 6.852 645 HA LEU 83 HA LEU 83 -3.482 -0.903 8.705 646 HB2 LEU 83 2HB LEU 83 -4.163 0.374 6.705 647 HB3 LEU 83 3HB LEU 83 -3.515 -0.873 5.652 648 HG LEU 83 HG LEU 83 -5.291 -2.458 6.601 649 HD11 LEU 83 1HD1 LEU 83 -6.470 0.081 7.764 650 HD12 LEU 83 2HD1 LEU 83 -5.791 -1.269 8.679 651 HD13 LEU 83 3HD1 LEU 83 -7.245 -1.506 7.712 652 HD21 LEU 83 3HD2 LEU 83 -6.272 -0.008 5.105 653 HD22 LEU 83 1HD2 LEU 83 -7.090 -1.572 5.183 654 HD23 LEU 83 2HD2 LEU 83 -5.521 -1.439 4.392 655 H LYS 84 H LYS 84 -3.742 -2.991 9.386 656 HA LYS 84 HA LYS 84 -2.873 -5.245 7.654 657 HB2 LYS 84 2HB LYS 84 -2.596 -4.935 10.671 658 HB3 LYS 84 3HB LYS 84 -2.700 -6.533 9.948 659 HG2 LYS 84 2HG LYS 84 -0.397 -6.186 10.197 660 HG3 LYS 84 3HG LYS 84 -0.699 -5.837 8.496 661 HD2 LYS 84 2HD LYS 84 0.739 -4.104 9.151 662 HD3 LYS 84 3HD LYS 84 -0.846 -3.346 9.233 663 HE2 LYS 84 2HE LYS 84 0.763 -4.413 11.574 664 HE3 LYS 84 3HE LYS 84 0.548 -2.721 11.143 665 HZ1 LYS 84 3HZ LYS 84 -0.899 -3.248 12.945 666 HZ2 LYS 84 1HZ LYS 84 -1.543 -4.587 12.137 667 HZ3 LYS 84 2HZ LYS 84 -1.858 -3.032 11.574 668 H SER 85 H SER 85 -4.757 -5.825 6.754 669 HA SER 85 HA SER 85 -6.894 -6.942 8.378 670 HB2 SER 85 2HB SER 85 -7.456 -4.579 6.507 671 HB3 SER 85 3HB SER 85 -8.705 -5.595 7.235 672 HG SER 85 HG SER 85 -7.379 -4.899 9.268 673 H THR 86 H THR 86 -7.879 -8.629 7.293 674 HA THR 86 HA THR 86 -7.104 -9.126 4.469 675 HB THR 86 HB THR 86 -7.435 -11.521 4.940 676 HG1 THR 86 HG1 THR 86 -8.990 -11.688 6.456 677 HG21 THR 86 3HG2 THR 86 -5.751 -10.231 7.124 678 HG22 THR 86 1HG2 THR 86 -5.197 -10.610 5.490 679 HG23 THR 86 2HG2 THR 86 -5.638 -11.911 6.597 680 H ASP 87 H ASP 87 -9.543 -7.762 6.028 681 HA ASP 87 HA ASP 87 -11.850 -9.165 4.964 682 HB2 ASP 87 2HB ASP 87 -11.689 -6.419 6.295 683 HB3 ASP 87 3HB ASP 87 -13.156 -7.356 6.021 684 HA PRO 88 HA PRO 88 -11.268 -7.111 0.942 685 HB2 PRO 88 2HB PRO 88 -13.800 -7.807 -0.111 686 HB3 PRO 88 3HB PRO 88 -12.334 -8.804 -0.202 687 HG2 PRO 88 2HG PRO 88 -14.609 -8.977 1.735 688 HG3 PRO 88 3HG PRO 88 -13.679 -10.282 0.963 689 HD2 PRO 88 2HD PRO 88 -13.218 -9.590 3.525 690 HD3 PRO 88 3HD PRO 88 -11.881 -10.081 2.456 691 H GLU 89 H GLU 89 -14.359 -6.710 2.729 692 HA GLU 89 HA GLU 89 -15.154 -4.320 1.428 693 HB2 GLU 89 2HB GLU 89 -16.798 -4.058 3.218 694 HB3 GLU 89 3HB GLU 89 -16.725 -5.745 2.721 695 HG2 GLU 89 2HG GLU 89 -15.322 -6.255 4.706 696 HG3 GLU 89 3HG GLU 89 -15.442 -4.572 5.214 697 H GLU 90 H GLU 90 -13.150 -4.916 4.304 698 HA GLU 90 HA GLU 90 -12.992 -2.294 5.330 699 HB2 GLU 90 2HB GLU 90 -12.267 -4.358 6.566 700 HB3 GLU 90 3HB GLU 90 -10.898 -4.507 5.475 701 HG2 GLU 90 2HG GLU 90 -10.013 -3.544 7.446 702 HG3 GLU 90 3HG GLU 90 -10.137 -2.207 6.305 703 H LEU 91 H LEU 91 -10.749 -4.132 3.252 704 HA LEU 91 HA LEU 91 -8.858 -2.094 2.873 705 HB2 LEU 91 2HB LEU 91 -9.428 -4.413 0.981 706 HB3 LEU 91 3HB LEU 91 -7.936 -3.489 1.083 707 HG LEU 91 HG LEU 91 -9.018 -5.421 3.171 708 HD11 LEU 91 1HD1 LEU 91 -6.533 -5.589 1.436 709 HD12 LEU 91 2HD1 LEU 91 -8.013 -6.532 1.236 710 HD13 LEU 91 3HD1 LEU 91 -7.020 -6.754 2.674 711 HD21 LEU 91 3HD2 LEU 91 -7.978 -3.552 4.331 712 HD22 LEU 91 1HD2 LEU 91 -6.533 -3.685 3.326 713 HD23 LEU 91 2HD2 LEU 91 -6.952 -4.977 4.452 714 H THR 92 H THR 92 -11.731 -2.964 0.973 715 HA THR 92 HA THR 92 -11.324 -1.369 -1.309 716 HB THR 92 HB THR 92 -13.952 -2.311 -0.065 717 HG1 THR 92 HG1 THR 92 -12.223 -3.856 -0.907 718 HG21 THR 92 3HG2 THR 92 -13.444 -1.303 -2.891 719 HG22 THR 92 1HG2 THR 92 -14.393 -0.468 -1.660 720 HG23 THR 92 2HG2 THR 92 -14.953 -2.012 -2.312 721 H GLN 93 H GLN 93 -13.119 -0.653 1.726 722 HA GLN 93 HA GLN 93 -13.757 2.017 0.834 723 HB2 GLN 93 2HB GLN 93 -14.915 2.309 2.935 724 HB3 GLN 93 3HB GLN 93 -15.311 0.737 2.269 725 HG2 GLN 93 2HG GLN 93 -15.088 0.281 4.535 726 HG3 GLN 93 3HG GLN 93 -13.514 -0.189 3.900 727 HE21 GLN 93 1HE2 GLN 93 -14.538 3.149 4.488 728 HE22 GLN 93 2HE2 GLN 93 -13.410 3.447 5.757 729 H ARG 94 H ARG 94 -11.105 0.568 2.601 730 HA ARG 94 HA ARG 94 -10.114 2.955 3.811 731 HB2 ARG 94 2HB ARG 94 -8.706 0.350 3.106 732 HB3 ARG 94 3HB ARG 94 -7.897 1.678 3.932 733 HG2 ARG 94 2HG ARG 94 -10.342 0.230 5.003 734 HG3 ARG 94 3HG ARG 94 -8.681 -0.140 5.454 735 HD2 ARG 94 2HD ARG 94 -8.421 2.095 6.423 736 HD3 ARG 94 3HD ARG 94 -10.058 2.532 5.920 737 HE ARG 94 HE ARG 94 -10.760 0.580 7.391 738 HH11 ARG 94 1HH1 ARG 94 -7.953 2.568 8.145 739 HH12 ARG 94 2HH1 ARG 94 -8.055 2.268 9.851 740 HH21 ARG 94 1HH2 ARG 94 -10.865 0.166 9.583 741 HH22 ARG 94 2HH2 ARG 94 -9.724 0.891 10.669 742 H VAL 95 H VAL 95 -9.705 1.538 0.577 743 HA VAL 95 HA VAL 95 -7.600 3.152 -0.368 744 HB VAL 95 HB VAL 95 -9.967 2.046 -1.959 745 HG11 VAL 95 1HG1 VAL 95 -7.294 3.091 -2.986 746 HG12 VAL 95 2HG1 VAL 95 -8.869 3.855 -3.219 747 HG13 VAL 95 3HG1 VAL 95 -8.527 2.296 -3.972 748 HG21 VAL 95 3HG2 VAL 95 -8.688 0.255 -0.861 749 HG22 VAL 95 1HG2 VAL 95 -7.186 0.874 -1.549 750 HG23 VAL 95 2HG2 VAL 95 -8.435 0.205 -2.605 751 H ARG 96 H ARG 96 -11.159 3.672 -0.705 752 HA ARG 96 HA ARG 96 -10.936 6.207 -1.947 753 HB2 ARG 96 2HB ARG 96 -13.366 6.451 -1.536 754 HB3 ARG 96 3HB ARG 96 -12.949 4.889 -2.227 755 HG2 ARG 96 2HG ARG 96 -13.226 3.786 -0.093 756 HG3 ARG 96 3HG ARG 96 -13.471 5.329 0.729 757 HD2 ARG 96 2HD ARG 96 -15.598 4.174 0.407 758 HD3 ARG 96 3HD ARG 96 -15.561 5.665 -0.541 759 HE ARG 96 HE ARG 96 -14.703 3.437 -2.102 760 HH11 ARG 96 1HH1 ARG 96 -17.638 4.963 -0.871 761 HH12 ARG 96 2HH1 ARG 96 -18.634 4.319 -2.135 762 HH21 ARG 96 1HH2 ARG 96 -16.014 2.628 -3.737 763 HH22 ARG 96 2HH2 ARG 96 -17.708 2.994 -3.765 764 H GLU 97 H GLU 97 -11.359 5.301 1.475 765 HA GLU 97 HA GLU 97 -11.813 7.894 2.503 766 HB2 GLU 97 2HB GLU 97 -10.709 5.362 3.775 767 HB3 GLU 97 3HB GLU 97 -10.902 6.851 4.696 768 HG2 GLU 97 2HG GLU 97 -13.094 5.251 3.347 769 HG3 GLU 97 3HG GLU 97 -12.797 5.388 5.080 770 H PHE 98 H PHE 98 -8.866 6.025 1.928 771 HA PHE 98 HA PHE 98 -7.012 7.845 3.008 772 HB2 PHE 98 2HB PHE 98 -6.311 5.545 2.560 773 HB3 PHE 98 3HB PHE 98 -6.639 5.730 0.836 774 HD1 PHE 98 HD1 PHE 98 -4.539 7.151 3.595 775 HD2 PHE 98 HD2 PHE 98 -4.885 6.438 -0.621 776 HE1 PHE 98 HE1 PHE 98 -2.295 8.069 3.238 777 HE2 PHE 98 HE2 PHE 98 -2.637 7.357 -0.948 778 HZ PHE 98 HZ PHE 98 -1.360 8.179 0.971 779 H LEU 99 H LEU 99 -8.209 7.404 -0.343 780 HA LEU 99 HA LEU 99 -6.546 9.344 -1.553 781 HB2 LEU 99 2HB LEU 99 -9.274 8.371 -2.504 782 HB3 LEU 99 3HB LEU 99 -8.093 9.226 -3.486 783 HG LEU 99 HG LEU 99 -7.850 6.405 -2.382 784 HD11 LEU 99 1HD1 LEU 99 -9.282 6.579 -4.351 785 HD12 LEU 99 2HD1 LEU 99 -7.794 5.714 -4.725 786 HD13 LEU 99 3HD1 LEU 99 -7.991 7.392 -5.242 787 HD21 LEU 99 3HD2 LEU 99 -5.663 6.267 -3.515 788 HD22 LEU 99 1HD2 LEU 99 -5.659 7.447 -2.206 789 HD23 LEU 99 2HD2 LEU 99 -5.746 7.991 -3.883 790 H LYS 100 H LYS 100 -9.692 9.552 -0.013 791 HA LYS 100 HA LYS 100 -10.376 12.187 -0.843 792 HB2 LYS 100 2HB LYS 100 -12.085 10.617 -0.116 793 HB3 LYS 100 3HB LYS 100 -11.342 10.475 1.472 794 HG2 LYS 100 2HG LYS 100 -11.912 12.851 1.937 795 HG3 LYS 100 3HG LYS 100 -12.673 12.967 0.349 796 HD2 LYS 100 2HD LYS 100 -14.312 12.613 2.208 797 HD3 LYS 100 3HD LYS 100 -14.373 11.347 0.978 798 HE2 LYS 100 2HE LYS 100 -13.019 9.871 2.447 799 HE3 LYS 100 3HE LYS 100 -12.973 11.141 3.672 800 HZ1 LYS 100 3HZ LYS 100 -15.464 9.893 2.659 801 HZ2 LYS 100 1HZ LYS 100 -15.317 10.965 3.957 802 HZ3 LYS 100 2HZ LYS 100 -14.664 9.409 4.064 803 H THR 101 H THR 101 -8.790 10.887 2.132 804 HA THR 101 HA THR 101 -8.559 13.515 3.338 805 HB THR 101 HB THR 101 -8.771 11.486 4.761 806 HG1 THR 101 HG1 THR 101 -7.575 13.540 5.390 807 HG21 THR 101 3HG2 THR 101 -6.822 10.038 5.173 808 HG22 THR 101 1HG2 THR 101 -5.921 10.872 3.902 809 HG23 THR 101 2HG2 THR 101 -7.349 9.919 3.494 810 H ALA 102 H ALA 102 -6.575 11.557 1.265 811 HA ALA 102 HA ALA 102 -4.142 13.095 1.624 812 HB1 ALA 102 3HB ALA 102 -4.036 10.700 1.121 813 HB2 ALA 102 1HB ALA 102 -3.256 11.639 -0.154 814 HB3 ALA 102 2HB ALA 102 -4.869 10.964 -0.413 815 H GLY 103 H GLY 103 -6.965 13.174 -0.388 816 HA2 GLY 103 2HA GLY 103 -5.833 14.844 -2.487 817 HA3 GLY 103 3HA GLY 103 -7.492 14.281 -2.346 818 H SER 104 H SER 104 -8.594 15.198 -0.220 819 HA SER 104 HA SER 104 -7.903 17.885 0.514 820 HB2 SER 104 2HB SER 104 -9.958 18.962 -0.507 821 HB3 SER 104 3HB SER 104 -8.780 18.418 -1.703 822 HG SER 104 HG SER 104 -11.304 17.350 -1.061 823 H LEU 105 H LEU 105 -8.092 16.926 2.597 824 HA LEU 105 HA LEU 105 -10.782 17.476 3.667 825 HB2 LEU 105 2HB LEU 105 -9.075 15.065 4.405 826 HB3 LEU 105 3HB LEU 105 -10.212 15.743 5.555 827 HG LEU 105 HG LEU 105 -10.889 14.439 2.885 828 HD11 LEU 105 1HD1 LEU 105 -11.535 13.608 5.736 829 HD12 LEU 105 2HD1 LEU 105 -10.388 12.829 4.645 830 HD13 LEU 105 3HD1 LEU 105 -12.105 12.802 4.271 831 HD21 LEU 105 3HD2 LEU 105 -12.788 15.798 4.830 832 HD22 LEU 105 1HD2 LEU 105 -13.266 14.815 3.441 833 HD23 LEU 105 2HD2 LEU 105 -12.401 16.328 3.191 834 H GLU 106 H GLU 106 -10.490 17.759 6.214 835 HA GLU 106 HA GLU 106 -8.714 20.038 6.398 836 HB2 GLU 106 2HB GLU 106 -10.650 18.900 8.455 837 HB3 GLU 106 3HB GLU 106 -9.835 20.459 8.565 838 HG2 GLU 106 2HG GLU 106 -11.926 19.629 6.531 839 HG3 GLU 106 3HG GLU 106 -12.130 20.788 7.841 840 H HIS 107 H HIS 107 -9.061 16.928 8.158 841 HA HIS 107 HA HIS 107 -6.715 17.377 9.781 842 HB2 HIS 107 2HB HIS 107 -8.569 15.923 10.600 843 HB3 HIS 107 3HB HIS 107 -8.258 14.784 9.296 844 HD1 HIS 107 HD1 HIS 107 -6.866 15.977 12.578 845 HD2 HIS 107 HD2 HIS 107 -6.054 13.053 9.746 846 HE1 HIS 107 HE1 HIS 107 -5.197 14.443 13.649 847 HE2 HIS 107 HE2 HIS 107 -4.890 12.580 11.992 848 H HIS 108 H HIS 108 -4.758 17.367 8.883 849 HA HIS 108 HA HIS 108 -3.969 15.928 6.555 850 HB2 HIS 108 2HB HIS 108 -2.747 17.969 7.280 851 HB3 HIS 108 3HB HIS 108 -2.258 17.164 8.767 852 HD1 HIS 108 HD1 HIS 108 -1.475 17.359 5.117 853 HD2 HIS 108 HD2 HIS 108 -0.127 15.307 8.463 854 HE1 HIS 108 HE1 HIS 108 0.693 16.310 4.439 855 HE2 HIS 108 HE2 HIS 108 1.587 15.271 6.548 856 H HIS 109 H HIS 109 -4.374 13.811 6.717 857 HA HIS 109 HA HIS 109 -4.106 12.123 8.940 858 HB2 HIS 109 2HB HIS 109 -5.434 11.653 6.833 859 HB3 HIS 109 3HB HIS 109 -3.919 11.368 5.983 860 HD1 HIS 109 HD1 HIS 109 -5.840 9.994 8.959 861 HD2 HIS 109 HD2 HIS 109 -3.163 8.730 6.041 862 HE1 HIS 109 HE1 HIS 109 -5.621 7.519 9.268 863 HE2 HIS 109 HE2 HIS 109 -4.191 6.764 7.354 864 H HIS 110 H HIS 110 -2.255 11.627 9.967 865 HA HIS 110 HA HIS 110 0.181 10.920 8.517 866 HB2 HIS 110 2HB HIS 110 0.300 13.419 8.872 867 HB3 HIS 110 3HB HIS 110 0.188 13.154 10.607 868 HD1 HIS 110 HD1 HIS 110 2.482 13.819 11.389 869 HD2 HIS 110 HD2 HIS 110 2.630 11.312 8.089 870 HE1 HIS 110 HE1 HIS 110 4.915 13.339 11.011 871 HE2 HIS 110 HE2 HIS 110 4.924 11.581 9.221 872 H HIS 111 H HIS 111 -0.229 8.878 9.307 873 HA HIS 111 HA HIS 111 -0.813 8.208 12.002 874 HB2 HIS 111 2HB HIS 111 -1.387 6.758 10.075 875 HB3 HIS 111 3HB HIS 111 0.320 6.477 9.758 876 HD1 HIS 111 HD1 HIS 111 1.206 4.372 10.756 877 HD2 HIS 111 HD2 HIS 111 -2.150 5.730 12.798 878 HE1 HIS 111 HE1 HIS 111 0.686 2.603 12.457 879 HE2 HIS 111 HE2 HIS 111 -1.266 3.509 13.761 880 H HIS 112 H HIS 112 2.179 8.122 10.069 881 HA HIS 112 HA HIS 112 3.780 8.568 12.474 882 HB2 HIS 112 2HB HIS 112 3.745 6.072 12.079 883 HB3 HIS 112 3HB HIS 112 4.459 6.344 10.491 884 HD1 HIS 112 HD1 HIS 112 6.947 7.304 10.485 885 HD2 HIS 112 HD2 HIS 112 5.547 6.070 14.192 886 HE1 HIS 112 HE1 HIS 112 8.976 7.110 11.943 887 HE2 HIS 112 HE2 HIS 112 8.117 6.236 14.132 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.052 16.540 1.160 2 H2 MET 1 2H MET 1 -1.983 15.311 1.845 3 H3 MET 1 3H MET 1 -2.473 16.027 0.396 4 HA MET 1 HA MET 1 -1.527 13.851 0.023 5 HB2 MET 1 2HB MET 1 0.238 16.122 -1.011 6 HB3 MET 1 3HB MET 1 0.107 14.524 -1.738 7 HG2 MET 1 2HG MET 1 -2.003 16.686 -1.636 8 HG3 MET 1 3HG MET 1 -1.222 15.997 -3.061 9 HE1 MET 1 3HE MET 1 -4.305 16.227 -3.175 10 HE2 MET 1 1HE MET 1 -4.811 14.601 -3.627 11 HE3 MET 1 2HE MET 1 -3.398 15.327 -4.393 12 H GLY 2 H GLY 2 1.267 13.481 -0.599 13 HA2 GLY 2 2HA GLY 2 3.416 13.381 0.238 14 HA3 GLY 2 3HA GLY 2 2.883 14.141 1.724 15 H LYS 3 H LYS 3 1.052 11.361 0.731 16 HA LYS 3 HA LYS 3 2.667 9.551 2.350 17 HB2 LYS 3 2HB LYS 3 0.698 8.815 3.714 18 HB3 LYS 3 3HB LYS 3 1.321 10.409 4.102 19 HG2 LYS 3 2HG LYS 3 -0.575 11.506 3.245 20 HG3 LYS 3 3HG LYS 3 -1.060 10.114 2.271 21 HD2 LYS 3 2HD LYS 3 -2.487 10.515 4.344 22 HD3 LYS 3 3HD LYS 3 -1.809 8.897 4.197 23 HE2 LYS 3 2HE LYS 3 0.002 9.560 5.799 24 HE3 LYS 3 3HE LYS 3 -0.805 11.118 6.005 25 HZ1 LYS 3 3HZ LYS 3 -2.811 9.803 6.699 26 HZ2 LYS 3 1HZ LYS 3 -1.507 9.730 7.767 27 HZ3 LYS 3 2HZ LYS 3 -1.835 8.430 6.745 28 H VAL 4 H VAL 4 1.520 7.391 2.605 29 HA VAL 4 HA VAL 4 0.291 6.464 0.105 30 HB VAL 4 HB VAL 4 2.700 6.278 -0.260 31 HG11 VAL 4 1HG1 VAL 4 3.480 6.251 2.053 32 HG12 VAL 4 2HG1 VAL 4 4.176 4.917 1.130 33 HG13 VAL 4 3HG1 VAL 4 2.847 4.612 2.252 34 HG21 VAL 4 3HG2 VAL 4 2.897 3.889 -0.778 35 HG22 VAL 4 1HG2 VAL 4 1.289 4.490 -1.186 36 HG23 VAL 4 2HG2 VAL 4 1.525 3.538 0.280 37 H LEU 5 H LEU 5 -0.885 4.527 0.369 38 HA LEU 5 HA LEU 5 -1.510 3.759 3.142 39 HB2 LEU 5 2HB LEU 5 -3.367 4.543 1.640 40 HB3 LEU 5 3HB LEU 5 -3.051 3.190 0.569 41 HG LEU 5 HG LEU 5 -3.665 1.610 2.420 42 HD11 LEU 5 1HD1 LEU 5 -4.794 2.458 4.432 43 HD12 LEU 5 2HD1 LEU 5 -4.396 4.111 3.963 44 HD13 LEU 5 3HD1 LEU 5 -3.107 2.967 4.352 45 HD21 LEU 5 3HD2 LEU 5 -6.086 1.986 2.334 46 HD22 LEU 5 1HD2 LEU 5 -5.348 2.260 0.756 47 HD23 LEU 5 2HD2 LEU 5 -5.827 3.632 1.755 48 H LEU 6 H LEU 6 0.049 2.281 3.608 49 HA LEU 6 HA LEU 6 0.808 0.086 1.924 50 HB2 LEU 6 2HB LEU 6 2.273 1.147 3.679 51 HB3 LEU 6 3HB LEU 6 1.203 0.526 4.924 52 HG LEU 6 HG LEU 6 1.821 -1.803 4.273 53 HD11 LEU 6 1HD1 LEU 6 3.703 -2.212 2.753 54 HD12 LEU 6 2HD1 LEU 6 3.737 -0.498 2.331 55 HD13 LEU 6 3HD1 LEU 6 2.328 -1.481 1.926 56 HD21 LEU 6 3HD2 LEU 6 4.106 -1.784 5.191 57 HD22 LEU 6 1HD2 LEU 6 3.048 -0.696 6.088 58 HD23 LEU 6 2HD2 LEU 6 4.210 -0.041 4.931 59 H VAL 7 H VAL 7 -1.134 -0.931 1.375 60 HA VAL 7 HA VAL 7 -2.992 -2.004 3.322 61 HB VAL 7 HB VAL 7 -2.858 -2.624 0.327 62 HG11 VAL 7 1HG1 VAL 7 -5.244 -3.243 0.563 63 HG12 VAL 7 2HG1 VAL 7 -5.159 -2.939 2.299 64 HG13 VAL 7 3HG1 VAL 7 -4.211 -4.246 1.585 65 HG21 VAL 7 3HG2 VAL 7 -4.443 -0.434 1.711 66 HG22 VAL 7 1HG2 VAL 7 -4.568 -0.875 0.005 67 HG23 VAL 7 2HG2 VAL 7 -3.062 -0.204 0.636 68 H ILE 8 H ILE 8 -2.332 -3.665 4.482 69 HA ILE 8 HA ILE 8 -0.627 -5.782 3.355 70 HB ILE 8 HB ILE 8 -0.944 -5.095 6.314 71 HG12 ILE 8 2HG1 ILE 8 1.301 -4.183 4.458 72 HG13 ILE 8 3HG1 ILE 8 0.032 -3.145 5.092 73 HG21 ILE 8 1HG2 ILE 8 -0.176 -7.392 5.844 74 HG22 ILE 8 2HG2 ILE 8 1.109 -6.442 6.589 75 HG23 ILE 8 3HG2 ILE 8 1.145 -6.762 4.854 76 HD11 ILE 8 3HD1 ILE 8 2.112 -2.878 6.295 77 HD12 ILE 8 1HD1 ILE 8 2.095 -4.580 6.746 78 HD13 ILE 8 2HD1 ILE 8 0.839 -3.491 7.346 79 H SER 9 H SER 9 -1.682 -7.594 3.034 80 HA SER 9 HA SER 9 -3.408 -8.705 5.128 81 HB2 SER 9 2HB SER 9 -4.969 -8.011 3.356 82 HB3 SER 9 3HB SER 9 -3.976 -8.789 2.131 83 HG SER 9 HG SER 9 -5.324 -10.377 2.482 84 H THR 10 H THR 10 -2.957 -10.835 5.512 85 HA THR 10 HA THR 10 -0.556 -11.996 4.376 86 HB THR 10 HB THR 10 -1.069 -13.873 6.003 87 HG1 THR 10 HG1 THR 10 -3.195 -13.897 6.383 88 HG21 THR 10 3HG2 THR 10 -0.642 -12.570 8.059 89 HG22 THR 10 1HG2 THR 10 -1.103 -11.081 7.230 90 HG23 THR 10 2HG2 THR 10 0.342 -11.961 6.727 91 H ASP 11 H ASP 11 -3.936 -12.094 3.810 92 HA ASP 11 HA ASP 11 -3.882 -14.606 2.300 93 HB2 ASP 11 2HB ASP 11 -5.804 -14.059 3.885 94 HB3 ASP 11 3HB ASP 11 -6.260 -12.752 2.793 95 H THR 12 H THR 12 -3.379 -14.535 0.216 96 HA THR 12 HA THR 12 -2.879 -12.108 -1.205 97 HB THR 12 HB THR 12 -2.265 -13.662 -3.108 98 HG1 THR 12 HG1 THR 12 -3.510 -15.444 -2.870 99 HG21 THR 12 3HG2 THR 12 -0.330 -14.706 -1.971 100 HG22 THR 12 1HG2 THR 12 -1.065 -14.378 -0.403 101 HG23 THR 12 2HG2 THR 12 -0.558 -13.036 -1.440 102 H ASN 13 H ASN 13 -5.586 -14.293 -1.098 103 HA ASN 13 HA ASN 13 -6.751 -13.699 -3.647 104 HB2 ASN 13 2HB ASN 13 -8.014 -14.878 -1.120 105 HB3 ASN 13 3HB ASN 13 -8.790 -14.835 -2.700 106 HD21 ASN 13 1HD2 ASN 13 -8.972 -17.138 -2.427 107 HD22 ASN 13 2HD2 ASN 13 -7.638 -18.167 -2.810 108 H ILE 14 H ILE 14 -7.157 -12.455 -0.337 109 HA ILE 14 HA ILE 14 -9.301 -10.659 -0.857 110 HB ILE 14 HB ILE 14 -7.164 -10.387 1.311 111 HG12 ILE 14 2HG1 ILE 14 -8.228 -12.564 1.540 112 HG13 ILE 14 3HG1 ILE 14 -8.820 -11.520 2.819 113 HG21 ILE 14 1HG2 ILE 14 -9.953 -9.180 1.169 114 HG22 ILE 14 2HG2 ILE 14 -8.433 -8.302 0.980 115 HG23 ILE 14 3HG2 ILE 14 -8.839 -9.041 2.531 116 HD11 ILE 14 3HD1 ILE 14 -10.925 -11.228 1.597 117 HD12 ILE 14 1HD1 ILE 14 -10.577 -12.922 1.924 118 HD13 ILE 14 2HD1 ILE 14 -10.326 -12.273 0.307 119 H ILE 15 H ILE 15 -5.757 -10.238 -0.793 120 HA ILE 15 HA ILE 15 -5.536 -7.523 -1.417 121 HB ILE 15 HB ILE 15 -3.687 -9.787 -2.323 122 HG12 ILE 15 2HG1 ILE 15 -3.383 -7.996 0.124 123 HG13 ILE 15 3HG1 ILE 15 -4.125 -9.586 0.182 124 HG21 ILE 15 1HG2 ILE 15 -1.909 -8.065 -2.494 125 HG22 ILE 15 2HG2 ILE 15 -3.087 -6.807 -2.115 126 HG23 ILE 15 3HG2 ILE 15 -3.240 -7.731 -3.609 127 HD11 ILE 15 3HD1 ILE 15 -2.023 -10.588 -0.566 128 HD12 ILE 15 1HD1 ILE 15 -1.842 -9.674 0.930 129 HD13 ILE 15 2HD1 ILE 15 -1.280 -8.987 -0.591 130 H SER 16 H SER 16 -5.795 -10.350 -3.567 131 HA SER 16 HA SER 16 -5.563 -9.007 -6.045 132 HB2 SER 16 2HB SER 16 -5.228 -11.457 -5.722 133 HB3 SER 16 3HB SER 16 -6.954 -11.652 -5.421 134 HG SER 16 HG SER 16 -5.653 -11.583 -7.760 135 H SER 17 H SER 17 -8.380 -9.808 -4.019 136 HA SER 17 HA SER 17 -10.430 -9.071 -5.815 137 HB2 SER 17 2HB SER 17 -10.441 -9.024 -2.770 138 HB3 SER 17 3HB SER 17 -11.876 -8.924 -3.791 139 HG SER 17 HG SER 17 -10.081 -11.077 -4.055 140 H VAL 18 H VAL 18 -8.992 -7.252 -3.109 141 HA VAL 18 HA VAL 18 -10.532 -4.904 -3.495 142 HB VAL 18 HB VAL 18 -7.907 -5.174 -1.952 143 HG11 VAL 18 1HG1 VAL 18 -10.152 -3.139 -1.642 144 HG12 VAL 18 2HG1 VAL 18 -8.560 -2.822 -2.336 145 HG13 VAL 18 3HG1 VAL 18 -8.708 -3.250 -0.633 146 HG21 VAL 18 3HG2 VAL 18 -10.741 -5.593 -0.942 147 HG22 VAL 18 1HG2 VAL 18 -9.266 -5.655 0.029 148 HG23 VAL 18 2HG2 VAL 18 -9.551 -6.862 -1.224 149 H GLN 19 H GLN 19 -7.307 -5.872 -4.551 150 HA GLN 19 HA GLN 19 -6.280 -3.336 -5.265 151 HB2 GLN 19 2HB GLN 19 -4.891 -5.356 -4.862 152 HB3 GLN 19 3HB GLN 19 -5.522 -6.090 -6.329 153 HG2 GLN 19 2HG GLN 19 -4.434 -4.374 -7.684 154 HG3 GLN 19 3HG GLN 19 -3.870 -3.549 -6.231 155 HE21 GLN 19 1HE2 GLN 19 -3.159 -6.055 -4.820 156 HE22 GLN 19 2HE2 GLN 19 -1.719 -6.616 -5.589 157 H GLU 20 H GLU 20 -7.659 -5.935 -7.304 158 HA GLU 20 HA GLU 20 -7.519 -4.443 -9.726 159 HB2 GLU 20 2HB GLU 20 -9.161 -6.914 -9.062 160 HB3 GLU 20 3HB GLU 20 -8.888 -6.286 -10.684 161 HG2 GLU 20 2HG GLU 20 -6.807 -7.423 -8.801 162 HG3 GLU 20 3HG GLU 20 -7.408 -8.159 -10.285 163 H ARG 21 H ARG 21 -10.075 -4.932 -7.325 164 HA ARG 21 HA ARG 21 -12.139 -3.562 -8.747 165 HB2 ARG 21 2HB ARG 21 -11.777 -4.102 -5.773 166 HB3 ARG 21 3HB ARG 21 -13.208 -3.324 -6.444 167 HG2 ARG 21 2HG ARG 21 -13.671 -5.364 -7.787 168 HG3 ARG 21 3HG ARG 21 -12.264 -6.142 -7.058 169 HD2 ARG 21 2HD ARG 21 -13.317 -5.823 -4.808 170 HD3 ARG 21 3HD ARG 21 -14.750 -5.174 -5.617 171 HE ARG 21 HE ARG 21 -14.028 -7.785 -6.568 172 HH11 ARG 21 1HH1 ARG 21 -15.722 -6.097 -3.995 173 HH12 ARG 21 2HH1 ARG 21 -16.752 -7.441 -3.618 174 HH21 ARG 21 1HH2 ARG 21 -15.373 -9.552 -6.068 175 HH22 ARG 21 2HH2 ARG 21 -16.549 -9.407 -4.798 176 H ALA 22 H ALA 22 -9.526 -2.490 -6.595 177 HA ALA 22 HA ALA 22 -10.513 0.150 -6.149 178 HB1 ALA 22 3HB ALA 22 -8.836 -0.871 -4.657 179 HB2 ALA 22 1HB ALA 22 -8.262 0.668 -5.303 180 HB3 ALA 22 2HB ALA 22 -7.649 -0.852 -5.964 181 H LYS 23 H LYS 23 -8.176 -1.228 -8.393 182 HA LYS 23 HA LYS 23 -7.341 1.076 -9.759 183 HB2 LYS 23 2HB LYS 23 -7.431 -1.854 -10.572 184 HB3 LYS 23 3HB LYS 23 -6.604 -0.619 -11.515 185 HG2 LYS 23 2HG LYS 23 -4.945 -0.275 -9.827 186 HG3 LYS 23 3HG LYS 23 -5.896 -1.128 -8.605 187 HD2 LYS 23 2HD LYS 23 -4.007 -2.523 -9.365 188 HD3 LYS 23 3HD LYS 23 -5.548 -3.265 -9.799 189 HE2 LYS 23 2HE LYS 23 -5.250 -2.254 -12.114 190 HE3 LYS 23 3HE LYS 23 -3.617 -1.804 -11.625 191 HZ1 LYS 23 3HZ LYS 23 -3.056 -4.085 -11.324 192 HZ2 LYS 23 1HZ LYS 23 -3.757 -3.926 -12.852 193 HZ3 LYS 23 2HZ LYS 23 -4.652 -4.593 -11.578 194 H HIS 24 H HIS 24 -10.101 -1.088 -10.334 195 HA HIS 24 HA HIS 24 -10.785 0.171 -12.876 196 HB2 HIS 24 2HB HIS 24 -11.033 -2.254 -12.736 197 HB3 HIS 24 3HB HIS 24 -12.122 -2.104 -11.355 198 HD1 HIS 24 HD1 HIS 24 -12.018 -0.810 -14.944 199 HD2 HIS 24 HD2 HIS 24 -14.744 -2.255 -12.149 200 HE1 HIS 24 HE1 HIS 24 -14.235 -0.830 -16.117 201 HE2 HIS 24 HE2 HIS 24 -15.886 -1.527 -14.353 202 H ASN 25 H ASN 25 -12.423 -0.315 -9.727 203 HA ASN 25 HA ASN 25 -14.800 1.082 -10.271 204 HB2 ASN 25 2HB ASN 25 -14.569 -0.487 -8.371 205 HB3 ASN 25 3HB ASN 25 -13.443 0.603 -7.575 206 HD21 ASN 25 1HD2 ASN 25 -14.271 2.504 -6.609 207 HD22 ASN 25 2HD2 ASN 25 -15.949 2.674 -6.248 208 H TYR 26 H TYR 26 -11.801 2.179 -8.678 209 HA TYR 26 HA TYR 26 -12.759 4.942 -8.573 210 HB2 TYR 26 2HB TYR 26 -10.130 3.739 -7.597 211 HB3 TYR 26 3HB TYR 26 -10.716 5.364 -7.257 212 HD1 TYR 26 HD1 TYR 26 -12.717 5.673 -5.754 213 HD2 TYR 26 HD2 TYR 26 -10.897 1.868 -6.302 214 HE1 TYR 26 HE1 TYR 26 -13.880 4.816 -3.765 215 HE2 TYR 26 HE2 TYR 26 -12.044 1.004 -4.318 216 HH TYR 26 HH TYR 26 -13.072 1.860 -2.268 217 HA PRO 27 HA PRO 27 -11.253 5.539 -12.644 218 HB2 PRO 27 2HB PRO 27 -11.271 8.275 -12.858 219 HB3 PRO 27 3HB PRO 27 -12.754 7.306 -12.728 220 HG2 PRO 27 2HG PRO 27 -11.311 8.816 -10.573 221 HG3 PRO 27 3HG PRO 27 -13.052 8.733 -10.915 222 HD2 PRO 27 2HD PRO 27 -11.905 7.241 -8.957 223 HD3 PRO 27 3HD PRO 27 -13.313 6.675 -9.886 224 H GLY 28 H GLY 28 -9.174 4.602 -12.368 225 HA2 GLY 28 2HA GLY 28 -6.917 4.512 -12.756 226 HA3 GLY 28 3HA GLY 28 -7.129 6.065 -13.555 227 H ARG 29 H ARG 29 -7.310 4.964 -10.173 228 HA ARG 29 HA ARG 29 -6.163 7.421 -9.217 229 HB2 ARG 29 2HB ARG 29 -6.893 4.879 -7.735 230 HB3 ARG 29 3HB ARG 29 -6.396 6.377 -6.955 231 HG2 ARG 29 2HG ARG 29 -8.867 6.053 -8.686 232 HG3 ARG 29 3HG ARG 29 -8.844 6.002 -6.926 233 HD2 ARG 29 2HD ARG 29 -9.600 8.172 -7.556 234 HD3 ARG 29 3HD ARG 29 -7.951 8.365 -6.953 235 HE ARG 29 HE ARG 29 -8.333 8.088 -9.846 236 HH11 ARG 29 1HH1 ARG 29 -7.716 10.300 -7.159 237 HH12 ARG 29 2HH1 ARG 29 -7.120 11.558 -8.197 238 HH21 ARG 29 1HH2 ARG 29 -7.512 9.721 -11.161 239 HH22 ARG 29 2HH2 ARG 29 -7.003 11.227 -10.460 240 H GLU 30 H GLU 30 -4.419 7.396 -7.565 241 HA GLU 30 HA GLU 30 -2.012 6.340 -8.732 242 HB2 GLU 30 2HB GLU 30 -2.292 7.950 -6.165 243 HB3 GLU 30 3HB GLU 30 -0.847 7.758 -7.145 244 HG2 GLU 30 2HG GLU 30 -3.346 9.318 -7.842 245 HG3 GLU 30 3HG GLU 30 -1.734 9.960 -7.525 246 H ILE 31 H ILE 31 -2.268 4.131 -8.465 247 HA ILE 31 HA ILE 31 -2.094 3.041 -5.706 248 HB ILE 31 HB ILE 31 -3.537 1.838 -8.122 249 HG12 ILE 31 2HG1 ILE 31 -4.649 2.849 -5.461 250 HG13 ILE 31 3HG1 ILE 31 -4.780 3.690 -7.000 251 HG21 ILE 31 1HG2 ILE 31 -4.183 -0.022 -6.621 252 HG22 ILE 31 2HG2 ILE 31 -3.186 0.668 -5.338 253 HG23 ILE 31 3HG2 ILE 31 -2.428 0.073 -6.814 254 HD11 ILE 31 3HD1 ILE 31 -6.846 2.612 -6.456 255 HD12 ILE 31 1HD1 ILE 31 -6.044 1.047 -6.298 256 HD13 ILE 31 2HD1 ILE 31 -6.138 1.842 -7.874 257 H ARG 32 H ARG 32 -0.389 1.781 -5.342 258 HA ARG 32 HA ARG 32 1.296 0.790 -7.572 259 HB2 ARG 32 2HB ARG 32 2.066 1.451 -4.693 260 HB3 ARG 32 3HB ARG 32 3.164 0.842 -5.922 261 HG2 ARG 32 2HG ARG 32 1.737 3.509 -6.002 262 HG3 ARG 32 3HG ARG 32 3.420 3.262 -5.548 263 HD2 ARG 32 2HD ARG 32 3.918 2.446 -7.831 264 HD3 ARG 32 3HD ARG 32 2.227 2.678 -8.285 265 HE ARG 32 HE ARG 32 2.643 5.113 -7.704 266 HH11 ARG 32 1HH1 ARG 32 5.194 3.076 -9.012 267 HH12 ARG 32 2HH1 ARG 32 6.039 4.414 -9.709 268 HH21 ARG 32 1HH2 ARG 32 3.783 6.844 -8.625 269 HH22 ARG 32 2HH2 ARG 32 5.250 6.528 -9.492 270 H THR 33 H THR 33 2.622 -1.161 -6.772 271 HA THR 33 HA THR 33 1.187 -2.998 -4.988 272 HB THR 33 HB THR 33 1.888 -3.760 -7.877 273 HG1 THR 33 HG1 THR 33 -0.570 -2.958 -6.698 274 HG21 THR 33 3HG2 THR 33 0.318 -5.273 -5.759 275 HG22 THR 33 1HG2 THR 33 1.956 -5.665 -6.296 276 HG23 THR 33 2HG2 THR 33 0.600 -5.805 -7.418 277 H ALA 34 H ALA 34 2.632 -4.389 -3.961 278 HA ALA 34 HA ALA 34 5.457 -4.448 -4.839 279 HB1 ALA 34 3HB ALA 34 5.268 -2.720 -3.100 280 HB2 ALA 34 1HB ALA 34 6.190 -4.100 -2.508 281 HB3 ALA 34 2HB ALA 34 4.512 -3.875 -2.002 282 H THR 35 H THR 35 6.145 -6.497 -4.975 283 HA THR 35 HA THR 35 4.754 -8.677 -3.593 284 HB THR 35 HB THR 35 7.175 -8.827 -5.458 285 HG1 THR 35 HG1 THR 35 5.781 -9.058 -7.108 286 HG21 THR 35 3HG2 THR 35 6.881 -10.870 -4.089 287 HG22 THR 35 1HG2 THR 35 6.507 -11.185 -5.784 288 HG23 THR 35 2HG2 THR 35 5.201 -10.991 -4.617 289 H SER 36 H SER 36 7.945 -7.092 -3.694 290 HA SER 36 HA SER 36 8.694 -8.170 -1.084 291 HB2 SER 36 2HB SER 36 9.351 -9.899 -2.818 292 HB3 SER 36 3HB SER 36 10.429 -8.704 -3.542 293 HG SER 36 HG SER 36 10.567 -9.606 -0.843 294 H SER 37 H SER 37 11.291 -7.483 -0.934 295 HA SER 37 HA SER 37 11.143 -4.809 -0.182 296 HB2 SER 37 2HB SER 37 13.601 -5.106 0.318 297 HB3 SER 37 3HB SER 37 12.564 -6.377 0.971 298 HG SER 37 HG SER 37 14.101 -7.519 0.010 299 H GLN 38 H GLN 38 12.368 -6.216 -3.160 300 HA GLN 38 HA GLN 38 13.784 -4.072 -4.257 301 HB2 GLN 38 2HB GLN 38 13.775 -6.278 -5.296 302 HB3 GLN 38 3HB GLN 38 12.043 -6.191 -5.587 303 HG2 GLN 38 2HG GLN 38 13.332 -5.876 -7.653 304 HG3 GLN 38 3HG GLN 38 12.386 -4.444 -7.263 305 HE21 GLN 38 1HE2 GLN 38 13.458 -2.515 -6.852 306 HE22 GLN 38 2HE2 GLN 38 15.165 -2.319 -7.077 307 H ASP 39 H ASP 39 10.324 -4.841 -4.459 308 HA ASP 39 HA ASP 39 9.526 -2.572 -5.985 309 HB2 ASP 39 2HB ASP 39 7.813 -4.263 -4.111 310 HB3 ASP 39 3HB ASP 39 7.240 -3.264 -5.443 311 H ILE 40 H ILE 40 9.384 -3.381 -2.535 312 HA ILE 40 HA ILE 40 8.206 -1.227 -1.324 313 HB ILE 40 HB ILE 40 10.599 -2.908 -0.468 314 HG12 ILE 40 2HG1 ILE 40 8.471 -4.159 -0.704 315 HG13 ILE 40 3HG1 ILE 40 9.008 -4.130 0.968 316 HG21 ILE 40 1HG2 ILE 40 9.122 -0.937 1.286 317 HG22 ILE 40 2HG2 ILE 40 10.812 -0.859 0.788 318 HG23 ILE 40 3HG2 ILE 40 10.269 -2.147 1.863 319 HD11 ILE 40 3HD1 ILE 40 6.608 -3.880 0.787 320 HD12 ILE 40 1HD1 ILE 40 6.802 -2.435 -0.204 321 HD13 ILE 40 2HD1 ILE 40 7.331 -2.431 1.482 322 H ARG 41 H ARG 41 11.675 -1.547 -2.063 323 HA ARG 41 HA ARG 41 12.518 1.015 -1.201 324 HB2 ARG 41 2HB ARG 41 13.716 -1.104 -3.026 325 HB3 ARG 41 3HB ARG 41 14.582 0.379 -2.650 326 HG2 ARG 41 2HG ARG 41 13.574 -1.461 -0.467 327 HG3 ARG 41 3HG ARG 41 15.129 -1.714 -1.260 328 HD2 ARG 41 2HD ARG 41 14.309 0.816 0.212 329 HD3 ARG 41 3HD ARG 41 15.365 -0.458 0.845 330 HE ARG 41 HE ARG 41 16.450 0.340 -1.591 331 HH11 ARG 41 1HH1 ARG 41 15.910 1.821 1.543 332 HH12 ARG 41 2HH1 ARG 41 17.247 2.908 1.386 333 HH21 ARG 41 1HH2 ARG 41 18.208 1.749 -1.768 334 HH22 ARG 41 2HH2 ARG 41 18.550 2.868 -0.488 335 H ASP 42 H ASP 42 11.568 -0.279 -4.351 336 HA ASP 42 HA ASP 42 12.422 1.871 -5.975 337 HB2 ASP 42 2HB ASP 42 11.957 -0.497 -6.750 338 HB3 ASP 42 3HB ASP 42 10.235 -0.174 -6.578 339 H ILE 43 H ILE 43 9.351 1.181 -4.373 340 HA ILE 43 HA ILE 43 7.804 3.231 -5.659 341 HB ILE 43 HB ILE 43 7.260 1.595 -3.132 342 HG12 ILE 43 2HG1 ILE 43 6.023 1.312 -5.919 343 HG13 ILE 43 3HG1 ILE 43 7.379 0.347 -5.355 344 HG21 ILE 43 1HG2 ILE 43 5.357 3.453 -4.616 345 HG22 ILE 43 2HG2 ILE 43 5.996 3.696 -2.988 346 HG23 ILE 43 3HG2 ILE 43 4.899 2.356 -3.316 347 HD11 ILE 43 3HD1 ILE 43 5.978 -0.604 -3.595 348 HD12 ILE 43 1HD1 ILE 43 5.310 -0.885 -5.202 349 HD13 ILE 43 2HD1 ILE 43 4.609 0.357 -4.164 350 H ILE 44 H ILE 44 9.415 2.953 -2.458 351 HA ILE 44 HA ILE 44 8.814 5.537 -1.471 352 HB ILE 44 HB ILE 44 11.247 3.774 -0.905 353 HG12 ILE 44 2HG1 ILE 44 8.673 4.130 0.706 354 HG13 ILE 44 3HG1 ILE 44 9.021 2.758 -0.340 355 HG21 ILE 44 1HG2 ILE 44 11.763 6.103 -0.279 356 HG22 ILE 44 2HG2 ILE 44 11.586 5.101 1.162 357 HG23 ILE 44 3HG2 ILE 44 10.282 6.188 0.680 358 HD11 ILE 44 3HD1 ILE 44 10.894 2.139 1.085 359 HD12 ILE 44 1HD1 ILE 44 9.380 2.217 1.978 360 HD13 ILE 44 2HD1 ILE 44 10.554 3.517 2.138 361 H LYS 45 H LYS 45 11.375 4.338 -3.600 362 HA LYS 45 HA LYS 45 12.905 6.734 -3.817 363 HB2 LYS 45 2HB LYS 45 13.575 4.289 -4.397 364 HB3 LYS 45 3HB LYS 45 12.751 4.525 -5.922 365 HG2 LYS 45 2HG LYS 45 15.050 6.288 -5.011 366 HG3 LYS 45 3HG LYS 45 15.305 4.786 -5.889 367 HD2 LYS 45 2HD LYS 45 13.786 7.209 -6.923 368 HD3 LYS 45 3HD LYS 45 15.424 6.744 -7.378 369 HE2 LYS 45 2HE LYS 45 14.577 4.665 -8.381 370 HE3 LYS 45 3HE LYS 45 12.931 5.088 -7.894 371 HZ1 LYS 45 3HZ LYS 45 13.350 5.633 -10.211 372 HZ2 LYS 45 1HZ LYS 45 14.629 6.648 -9.774 373 HZ3 LYS 45 2HZ LYS 45 13.047 7.036 -9.322 374 H SER 46 H SER 46 10.103 5.430 -5.571 375 HA SER 46 HA SER 46 9.939 7.443 -7.590 376 HB2 SER 46 2HB SER 46 8.786 5.235 -7.777 377 HB3 SER 46 3HB SER 46 7.696 5.693 -6.465 378 HG SER 46 HG SER 46 7.851 6.670 -9.110 379 H MET 47 H MET 47 8.716 7.174 -4.295 380 HA MET 47 HA MET 47 7.150 9.597 -4.322 381 HB2 MET 47 2HB MET 47 8.080 7.913 -1.958 382 HB3 MET 47 3HB MET 47 6.910 9.223 -1.875 383 HG2 MET 47 2HG MET 47 5.506 7.862 -3.539 384 HG3 MET 47 3HG MET 47 6.593 6.524 -3.179 385 HE1 MET 47 3HE MET 47 3.726 8.510 -0.158 386 HE2 MET 47 1HE MET 47 3.769 8.877 -1.883 387 HE3 MET 47 2HE MET 47 5.106 9.375 -0.840 388 H LYS 48 H LYS 48 10.491 8.829 -3.807 389 HA LYS 48 HA LYS 48 11.314 11.174 -2.446 390 HB2 LYS 48 2HB LYS 48 12.783 9.316 -4.342 391 HB3 LYS 48 3HB LYS 48 13.583 10.677 -3.578 392 HG2 LYS 48 2HG LYS 48 12.166 8.678 -1.825 393 HG3 LYS 48 3HG LYS 48 13.710 8.229 -2.551 394 HD2 LYS 48 2HD LYS 48 14.129 9.092 -0.338 395 HD3 LYS 48 3HD LYS 48 14.750 10.252 -1.507 396 HE2 LYS 48 2HE LYS 48 12.754 11.664 -1.148 397 HE3 LYS 48 3HE LYS 48 12.128 10.484 0.006 398 HZ1 LYS 48 3HZ LYS 48 14.579 12.137 0.283 399 HZ2 LYS 48 1HZ LYS 48 14.186 10.864 1.325 400 HZ3 LYS 48 2HZ LYS 48 13.176 12.215 1.222 401 H ASP 49 H ASP 49 10.729 10.460 -5.850 402 HA ASP 49 HA ASP 49 11.526 13.033 -6.847 403 HB2 ASP 49 2HB ASP 49 11.472 11.077 -8.344 404 HB3 ASP 49 3HB ASP 49 9.745 10.876 -8.082 405 H ASN 50 H ASN 50 8.369 11.473 -6.181 406 HA ASN 50 HA ASN 50 7.151 14.086 -5.617 407 HB2 ASN 50 2HB ASN 50 6.745 13.679 -8.043 408 HB3 ASN 50 3HB ASN 50 5.994 12.137 -7.662 409 HD21 ASN 50 1HD2 ASN 50 5.528 15.204 -5.888 410 HD22 ASN 50 2HD2 ASN 50 3.853 15.347 -6.277 411 H GLY 51 H GLY 51 6.724 13.665 -3.515 412 HA2 GLY 51 2HA GLY 51 5.629 11.201 -2.479 413 HA3 GLY 51 3HA GLY 51 5.847 12.713 -1.603 414 H LYS 52 H LYS 52 3.757 10.946 -3.777 415 HA LYS 52 HA LYS 52 1.526 12.868 -3.366 416 HB2 LYS 52 2HB LYS 52 0.738 12.249 -5.575 417 HB3 LYS 52 3HB LYS 52 2.432 12.694 -5.698 418 HG2 LYS 52 2HG LYS 52 3.031 10.265 -5.762 419 HG3 LYS 52 3HG LYS 52 1.311 9.870 -5.728 420 HD2 LYS 52 2HD LYS 52 2.827 11.337 -7.918 421 HD3 LYS 52 3HD LYS 52 2.039 9.765 -8.032 422 HE2 LYS 52 2HE LYS 52 -0.169 10.925 -7.659 423 HE3 LYS 52 3HE LYS 52 0.685 12.467 -7.736 424 HZ1 LYS 52 3HZ LYS 52 1.399 11.882 -9.991 425 HZ2 LYS 52 1HZ LYS 52 -0.284 11.939 -9.857 426 HZ3 LYS 52 2HZ LYS 52 0.507 10.451 -9.907 427 HA PRO 53 HA PRO 53 -0.916 9.774 -1.315 428 HB2 PRO 53 2HB PRO 53 -3.439 9.899 -2.387 429 HB3 PRO 53 3HB PRO 53 -2.756 11.225 -1.420 430 HG2 PRO 53 2HG PRO 53 -2.854 10.956 -4.418 431 HG3 PRO 53 3HG PRO 53 -3.310 12.347 -3.402 432 HD2 PRO 53 2HD PRO 53 -0.911 12.262 -4.617 433 HD3 PRO 53 3HD PRO 53 -1.083 12.949 -2.987 434 H LEU 54 H LEU 54 0.204 7.898 -1.935 435 HA LEU 54 HA LEU 54 -0.830 6.345 -4.241 436 HB2 LEU 54 2HB LEU 54 1.738 6.193 -2.633 437 HB3 LEU 54 3HB LEU 54 1.248 4.870 -3.679 438 HG LEU 54 HG LEU 54 1.758 7.724 -4.619 439 HD11 LEU 54 1HD1 LEU 54 3.843 6.641 -3.919 440 HD12 LEU 54 2HD1 LEU 54 3.793 6.874 -5.663 441 HD13 LEU 54 3HD1 LEU 54 3.507 5.271 -4.980 442 HD21 LEU 54 3HD2 LEU 54 0.098 6.608 -5.998 443 HD22 LEU 54 1HD2 LEU 54 1.142 5.198 -6.191 444 HD23 LEU 54 2HD2 LEU 54 1.607 6.756 -6.888 445 H VAL 55 H VAL 55 -1.184 4.022 -3.939 446 HA VAL 55 HA VAL 55 -1.788 3.141 -1.166 447 HB VAL 55 HB VAL 55 -3.561 2.588 -3.622 448 HG11 VAL 55 1HG1 VAL 55 -5.110 1.499 -2.028 449 HG12 VAL 55 2HG1 VAL 55 -3.949 1.751 -0.723 450 HG13 VAL 55 3HG1 VAL 55 -3.542 0.689 -2.074 451 HG21 VAL 55 3HG2 VAL 55 -4.173 4.348 -1.213 452 HG22 VAL 55 1HG2 VAL 55 -5.307 3.943 -2.505 453 HG23 VAL 55 2HG2 VAL 55 -3.873 4.908 -2.859 454 H VAL 56 H VAL 56 -0.024 1.757 -0.962 455 HA VAL 56 HA VAL 56 0.730 -0.056 -3.149 456 HB VAL 56 HB VAL 56 1.993 0.380 -0.396 457 HG11 VAL 56 1HG1 VAL 56 3.009 -1.348 -2.691 458 HG12 VAL 56 2HG1 VAL 56 2.413 -1.935 -1.136 459 HG13 VAL 56 3HG1 VAL 56 3.896 -0.985 -1.208 460 HG21 VAL 56 3HG2 VAL 56 2.243 2.278 -1.971 461 HG22 VAL 56 1HG2 VAL 56 3.000 1.197 -3.139 462 HG23 VAL 56 2HG2 VAL 56 3.787 1.516 -1.594 463 H PHE 57 H PHE 57 -0.606 -1.812 -3.324 464 HA PHE 57 HA PHE 57 -1.417 -3.393 -1.015 465 HB2 PHE 57 2HB PHE 57 -1.608 -3.886 -4.019 466 HB3 PHE 57 3HB PHE 57 -2.200 -5.020 -2.812 467 HD1 PHE 57 HD1 PHE 57 -2.724 -1.649 -4.297 468 HD2 PHE 57 HD2 PHE 57 -4.282 -4.646 -1.665 469 HE1 PHE 57 HE1 PHE 57 -4.883 -0.466 -4.219 470 HE2 PHE 57 HE2 PHE 57 -6.425 -3.450 -1.595 471 HZ PHE 57 HZ PHE 57 -6.733 -1.365 -2.867 472 H VAL 58 H VAL 58 0.235 -4.407 0.044 473 HA VAL 58 HA VAL 58 2.452 -5.600 -1.436 474 HB VAL 58 HB VAL 58 3.336 -6.309 0.818 475 HG11 VAL 58 1HG1 VAL 58 4.126 -4.267 -0.262 476 HG12 VAL 58 2HG1 VAL 58 4.069 -4.046 1.486 477 HG13 VAL 58 3HG1 VAL 58 2.812 -3.339 0.464 478 HG21 VAL 58 3HG2 VAL 58 2.412 -5.290 2.870 479 HG22 VAL 58 1HG2 VAL 58 1.252 -6.385 2.116 480 HG23 VAL 58 2HG2 VAL 58 1.055 -4.641 1.943 481 H ASN 59 H ASN 59 2.042 -7.409 -2.449 482 HA ASN 59 HA ASN 59 0.090 -9.350 -1.705 483 HB2 ASN 59 2HB ASN 59 2.295 -9.385 -3.798 484 HB3 ASN 59 3HB ASN 59 1.161 -10.718 -3.582 485 HD21 ASN 59 1HD2 ASN 59 -1.023 -10.401 -4.130 486 HD22 ASN 59 2HD2 ASN 59 -1.533 -9.102 -5.139 487 H GLY 60 H GLY 60 0.666 -9.775 0.437 488 HA2 GLY 60 2HA GLY 60 1.528 -10.991 2.156 489 HA3 GLY 60 3HA GLY 60 1.895 -12.202 0.935 490 H ALA 61 H ALA 61 3.253 -8.935 1.189 491 HA ALA 61 HA ALA 61 5.932 -9.791 0.876 492 HB1 ALA 61 3HB ALA 61 5.216 -7.539 0.208 493 HB2 ALA 61 1HB ALA 61 6.559 -7.450 1.351 494 HB3 ALA 61 2HB ALA 61 4.910 -7.114 1.891 495 H SER 62 H SER 62 7.524 -10.183 2.344 496 HA SER 62 HA SER 62 6.829 -11.251 4.844 497 HB2 SER 62 2HB SER 62 8.806 -11.913 3.388 498 HB3 SER 62 3HB SER 62 9.621 -10.449 3.926 499 HG SER 62 HG SER 62 10.284 -12.090 5.235 500 H GLN 63 H GLN 63 7.694 -10.610 6.970 501 HA GLN 63 HA GLN 63 6.717 -8.101 7.721 502 HB2 GLN 63 2HB GLN 63 6.756 -9.998 9.268 503 HB3 GLN 63 3HB GLN 63 8.513 -10.025 9.251 504 HG2 GLN 63 2HG GLN 63 7.697 -9.041 11.327 505 HG3 GLN 63 3HG GLN 63 8.570 -7.838 10.379 506 HE21 GLN 63 1HE2 GLN 63 7.586 -6.134 11.419 507 HE22 GLN 63 2HE2 GLN 63 5.936 -5.707 11.178 508 H ASN 64 H ASN 64 10.037 -9.175 7.125 509 HA ASN 64 HA ASN 64 11.510 -6.945 7.990 510 HB2 ASN 64 2HB ASN 64 12.571 -9.093 7.307 511 HB3 ASN 64 3HB ASN 64 12.090 -8.808 5.631 512 HD21 ASN 64 1HD2 ASN 64 14.153 -8.722 4.789 513 HD22 ASN 64 2HD2 ASN 64 15.288 -7.478 5.166 514 H ASP 65 H ASP 65 10.019 -7.671 4.874 515 HA ASP 65 HA ASP 65 11.004 -5.459 3.389 516 HB2 ASP 65 2HB ASP 65 8.485 -7.113 2.843 517 HB3 ASP 65 3HB ASP 65 9.375 -6.144 1.672 518 H VAL 66 H VAL 66 7.977 -6.088 5.088 519 HA VAL 66 HA VAL 66 6.598 -3.689 4.570 520 HB VAL 66 HB VAL 66 6.434 -5.593 6.954 521 HG11 VAL 66 1HG1 VAL 66 5.543 -3.409 7.648 522 HG12 VAL 66 2HG1 VAL 66 4.234 -4.579 7.476 523 HG13 VAL 66 3HG1 VAL 66 4.497 -3.363 6.226 524 HG21 VAL 66 3HG2 VAL 66 4.420 -6.483 5.822 525 HG22 VAL 66 1HG2 VAL 66 5.844 -6.618 4.786 526 HG23 VAL 66 2HG2 VAL 66 4.659 -5.343 4.494 527 H ASN 67 H ASN 67 8.855 -4.625 7.169 528 HA ASN 67 HA ASN 67 8.789 -2.166 8.614 529 HB2 ASN 67 2HB ASN 67 10.919 -4.359 8.579 530 HB3 ASN 67 3HB ASN 67 10.942 -2.984 9.683 531 HD21 ASN 67 1HD2 ASN 67 10.783 -5.816 10.284 532 HD22 ASN 67 2HD2 ASN 67 9.348 -6.035 11.211 533 H GLU 68 H GLU 68 10.650 -3.283 5.846 534 HA GLU 68 HA GLU 68 12.562 -1.155 5.776 535 HB2 GLU 68 2HB GLU 68 11.532 -3.013 3.586 536 HB3 GLU 68 3HB GLU 68 12.806 -1.825 3.317 537 HG2 GLU 68 2HG GLU 68 14.189 -2.937 5.038 538 HG3 GLU 68 3HG GLU 68 12.929 -4.139 5.266 539 H PHE 69 H PHE 69 9.299 -1.603 4.494 540 HA PHE 69 HA PHE 69 9.185 0.747 2.923 541 HB2 PHE 69 2HB PHE 69 7.562 -1.244 2.841 542 HB3 PHE 69 3HB PHE 69 6.784 -0.568 4.267 543 HD1 PHE 69 HD2 PHE 69 7.427 -0.093 0.656 544 HD2 PHE 69 HD1 PHE 69 5.385 1.455 4.084 545 HE1 PHE 69 HE2 PHE 69 6.070 1.353 -0.801 546 HE2 PHE 69 HE1 PHE 69 4.037 2.893 2.622 547 HZ PHE 69 HZ PHE 69 4.378 2.845 0.183 548 H GLN 70 H GLN 70 8.152 0.046 6.240 549 HA GLN 70 HA GLN 70 7.039 2.576 6.846 550 HB2 GLN 70 2HB GLN 70 8.111 0.409 8.708 551 HB3 GLN 70 3HB GLN 70 7.079 1.751 9.205 552 HG2 GLN 70 2HG GLN 70 5.233 0.908 7.872 553 HG3 GLN 70 3HG GLN 70 6.261 -0.342 7.170 554 HE21 GLN 70 1HE2 GLN 70 4.433 0.603 9.984 555 HE22 GLN 70 2HE2 GLN 70 4.552 -0.912 10.801 556 H ASN 71 H ASN 71 10.172 1.119 7.759 557 HA ASN 71 HA ASN 71 11.112 3.350 9.229 558 HB2 ASN 71 2HB ASN 71 12.423 0.810 8.229 559 HB3 ASN 71 3HB ASN 71 13.415 2.081 8.932 560 HD21 ASN 71 1HD2 ASN 71 10.864 -0.247 9.602 561 HD22 ASN 71 2HD2 ASN 71 10.998 -0.194 11.310 562 H GLU 72 H GLU 72 11.865 2.264 5.851 563 HA GLU 72 HA GLU 72 13.716 4.383 5.384 564 HB2 GLU 72 2HB GLU 72 12.185 2.629 3.433 565 HB3 GLU 72 3HB GLU 72 13.266 3.906 2.890 566 HG2 GLU 72 2HG GLU 72 14.040 1.525 4.582 567 HG3 GLU 72 3HG GLU 72 14.387 1.740 2.867 568 H ALA 73 H ALA 73 10.188 4.148 4.804 569 HA ALA 73 HA ALA 73 9.852 6.527 3.357 570 HB1 ALA 73 3HB ALA 73 7.501 6.471 4.076 571 HB2 ALA 73 1HB ALA 73 7.902 5.266 5.313 572 HB3 ALA 73 2HB ALA 73 8.058 4.868 3.602 573 H LYS 74 H LYS 74 9.473 6.053 6.923 574 HA LYS 74 HA LYS 74 9.075 8.796 7.515 575 HB2 LYS 74 2HB LYS 74 9.314 8.191 9.884 576 HB3 LYS 74 3HB LYS 74 8.334 7.005 9.040 577 HG2 LYS 74 2HG LYS 74 9.633 5.612 10.347 578 HG3 LYS 74 3HG LYS 74 10.602 5.660 8.875 579 HD2 LYS 74 2HD LYS 74 11.912 7.590 10.023 580 HD3 LYS 74 3HD LYS 74 11.098 7.098 11.507 581 HE2 LYS 74 2HE LYS 74 12.858 5.310 9.802 582 HE3 LYS 74 3HE LYS 74 13.366 6.123 11.276 583 HZ1 LYS 74 3HZ LYS 74 11.814 4.834 12.528 584 HZ2 LYS 74 1HZ LYS 74 12.774 3.789 11.614 585 HZ3 LYS 74 2HZ LYS 74 11.185 4.119 11.133 586 H LYS 75 H LYS 75 12.019 6.913 7.139 587 HA LYS 75 HA LYS 75 13.825 8.839 8.273 588 HB2 LYS 75 2HB LYS 75 14.924 6.846 8.359 589 HB3 LYS 75 3HB LYS 75 13.939 6.126 7.100 590 HG2 LYS 75 2HG LYS 75 15.372 6.820 5.387 591 HG3 LYS 75 3HG LYS 75 16.156 8.026 6.401 592 HD2 LYS 75 2HD LYS 75 17.185 6.187 7.756 593 HD3 LYS 75 3HD LYS 75 16.434 5.005 6.675 594 HE2 LYS 75 2HE LYS 75 18.409 7.130 5.789 595 HE3 LYS 75 3HE LYS 75 18.837 5.457 6.153 596 HZ1 LYS 75 3HZ LYS 75 17.373 4.728 4.391 597 HZ2 LYS 75 1HZ LYS 75 18.530 5.802 3.790 598 HZ3 LYS 75 2HZ LYS 75 16.936 6.311 4.051 599 H GLU 76 H GLU 76 12.359 8.345 5.152 600 HA GLU 76 HA GLU 76 14.125 10.292 3.827 601 HB2 GLU 76 2HB GLU 76 11.949 8.438 2.770 602 HB3 GLU 76 3HB GLU 76 12.828 9.587 1.775 603 HG2 GLU 76 2HG GLU 76 13.925 7.143 3.168 604 HG3 GLU 76 3HG GLU 76 13.822 7.441 1.437 605 H GLY 77 H GLY 77 11.579 10.598 5.802 606 HA2 GLY 77 2HA GLY 77 10.302 12.460 6.299 607 HA3 GLY 77 3HA GLY 77 10.815 13.207 4.794 608 H VAL 78 H VAL 78 9.791 10.264 3.890 609 HA VAL 78 HA VAL 78 7.309 11.155 2.761 610 HB VAL 78 HB VAL 78 8.640 8.386 2.749 611 HG11 VAL 78 1HG1 VAL 78 7.183 7.848 0.839 612 HG12 VAL 78 2HG1 VAL 78 6.378 9.409 0.994 613 HG13 VAL 78 3HG1 VAL 78 6.227 8.208 2.279 614 HG21 VAL 78 3HG2 VAL 78 9.431 8.946 0.484 615 HG22 VAL 78 1HG2 VAL 78 10.049 10.102 1.668 616 HG23 VAL 78 2HG2 VAL 78 8.708 10.552 0.612 617 H SER 79 H SER 79 5.450 11.153 3.943 618 HA SER 79 HA SER 79 5.098 9.614 6.348 619 HB2 SER 79 2HB SER 79 3.052 11.219 4.737 620 HB3 SER 79 3HB SER 79 2.830 10.614 6.382 621 HG SER 79 HG SER 79 4.693 12.564 5.492 622 H TYR 80 H TYR 80 3.520 7.921 6.622 623 HA TYR 80 HA TYR 80 2.324 6.711 4.241 624 HB2 TYR 80 2HB TYR 80 3.132 4.429 4.851 625 HB3 TYR 80 3HB TYR 80 4.452 5.502 4.412 626 HD1 TYR 80 HD2 TYR 80 6.047 6.310 6.139 627 HD2 TYR 80 HD1 TYR 80 2.953 3.532 7.134 628 HE1 TYR 80 HE2 TYR 80 7.188 5.785 8.241 629 HE2 TYR 80 HE1 TYR 80 4.106 3.011 9.239 630 HH TYR 80 HH TYR 80 6.209 3.171 10.285 631 H ASP 81 H ASP 81 0.978 4.766 4.999 632 HA ASP 81 HA ASP 81 -0.364 5.210 7.580 633 HB2 ASP 81 2HB ASP 81 -1.365 6.587 5.522 634 HB3 ASP 81 3HB ASP 81 -2.030 5.039 5.035 635 H VAL 82 H VAL 82 -0.687 3.229 8.426 636 HA VAL 82 HA VAL 82 -0.240 0.846 6.750 637 HB VAL 82 HB VAL 82 -0.240 1.073 9.803 638 HG11 VAL 82 1HG1 VAL 82 0.743 -1.199 9.800 639 HG12 VAL 82 2HG1 VAL 82 0.568 -1.287 8.047 640 HG13 VAL 82 3HG1 VAL 82 -0.864 -1.204 9.072 641 HG21 VAL 82 3HG2 VAL 82 2.217 0.862 9.650 642 HG22 VAL 82 1HG2 VAL 82 1.650 2.302 8.799 643 HG23 VAL 82 2HG2 VAL 82 2.120 0.865 7.887 644 H LEU 83 H LEU 83 -2.020 0.019 5.942 645 HA LEU 83 HA LEU 83 -4.502 -0.249 7.528 646 HB2 LEU 83 2HB LEU 83 -4.806 0.823 5.367 647 HB3 LEU 83 3HB LEU 83 -3.906 -0.440 4.544 648 HG LEU 83 HG LEU 83 -5.720 -2.045 4.944 649 HD11 LEU 83 1HD1 LEU 83 -7.879 -1.357 5.915 650 HD12 LEU 83 2HD1 LEU 83 -7.169 0.194 6.374 651 HD13 LEU 83 3HD1 LEU 83 -6.561 -1.303 7.084 652 HD21 LEU 83 3HD2 LEU 83 -5.809 -0.716 2.898 653 HD22 LEU 83 1HD2 LEU 83 -6.723 0.550 3.722 654 HD23 LEU 83 2HD2 LEU 83 -7.438 -1.048 3.478 655 H LYS 84 H LYS 84 -4.323 -2.089 8.713 656 HA LYS 84 HA LYS 84 -3.168 -4.549 7.524 657 HB2 LYS 84 2HB LYS 84 -2.044 -3.563 9.584 658 HB3 LYS 84 3HB LYS 84 -3.537 -3.842 10.470 659 HG2 LYS 84 2HG LYS 84 -2.153 -5.672 11.039 660 HG3 LYS 84 3HG LYS 84 -3.284 -6.318 9.847 661 HD2 LYS 84 2HD LYS 84 -1.074 -7.149 9.334 662 HD3 LYS 84 3HD LYS 84 -1.529 -5.983 8.085 663 HE2 LYS 84 2HE LYS 84 0.824 -5.722 8.820 664 HE3 LYS 84 3HE LYS 84 -0.135 -4.275 9.126 665 HZ1 LYS 84 3HZ LYS 84 0.566 -6.337 11.143 666 HZ2 LYS 84 1HZ LYS 84 -0.316 -4.930 11.436 667 HZ3 LYS 84 2HZ LYS 84 1.306 -4.827 10.984 668 H SER 85 H SER 85 -4.891 -5.709 6.688 669 HA SER 85 HA SER 85 -6.759 -6.954 8.425 670 HB2 SER 85 2HB SER 85 -7.966 -4.797 8.330 671 HB3 SER 85 3HB SER 85 -7.968 -4.848 6.570 672 HG SER 85 HG SER 85 -9.928 -5.599 7.744 673 H THR 86 H THR 86 -8.134 -8.468 7.351 674 HA THR 86 HA THR 86 -7.365 -9.255 4.594 675 HB THR 86 HB THR 86 -7.868 -11.617 5.320 676 HG1 THR 86 HG1 THR 86 -9.003 -11.781 7.101 677 HG21 THR 86 3HG2 THR 86 -5.506 -10.829 5.451 678 HG22 THR 86 1HG2 THR 86 -5.875 -12.007 6.718 679 HG23 THR 86 2HG2 THR 86 -5.792 -10.289 7.106 680 H ASP 87 H ASP 87 -9.634 -7.521 5.781 681 HA ASP 87 HA ASP 87 -12.049 -8.965 4.893 682 HB2 ASP 87 2HB ASP 87 -11.678 -6.223 6.184 683 HB3 ASP 87 3HB ASP 87 -13.237 -6.856 5.662 684 HA PRO 88 HA PRO 88 -11.256 -7.242 0.756 685 HB2 PRO 88 2HB PRO 88 -14.095 -7.986 0.142 686 HB3 PRO 88 3HB PRO 88 -12.595 -8.516 -0.646 687 HG2 PRO 88 2HG PRO 88 -13.995 -10.165 0.944 688 HG3 PRO 88 3HG PRO 88 -12.225 -10.218 0.857 689 HD2 PRO 88 2HD PRO 88 -13.969 -9.039 3.005 690 HD3 PRO 88 3HD PRO 88 -12.435 -9.929 3.152 691 H GLU 89 H GLU 89 -14.561 -6.661 1.982 692 HA GLU 89 HA GLU 89 -14.960 -4.267 0.523 693 HB2 GLU 89 2HB GLU 89 -17.037 -4.058 1.825 694 HB3 GLU 89 3HB GLU 89 -16.811 -5.687 1.202 695 HG2 GLU 89 2HG GLU 89 -15.970 -6.377 3.467 696 HG3 GLU 89 3HG GLU 89 -16.384 -4.772 4.064 697 H GLU 90 H GLU 90 -13.640 -4.855 3.752 698 HA GLU 90 HA GLU 90 -13.892 -2.162 4.705 699 HB2 GLU 90 2HB GLU 90 -13.652 -4.097 6.259 700 HB3 GLU 90 3HB GLU 90 -11.998 -4.337 5.693 701 HG2 GLU 90 2HG GLU 90 -11.419 -2.053 6.505 702 HG3 GLU 90 3HG GLU 90 -13.057 -1.869 7.116 703 H LEU 91 H LEU 91 -11.193 -4.065 3.325 704 HA LEU 91 HA LEU 91 -9.224 -2.067 3.305 705 HB2 LEU 91 2HB LEU 91 -9.621 -4.372 1.358 706 HB3 LEU 91 3HB LEU 91 -8.178 -3.380 1.416 707 HG LEU 91 HG LEU 91 -9.132 -5.289 3.591 708 HD11 LEU 91 1HD1 LEU 91 -8.178 -6.433 1.639 709 HD12 LEU 91 2HD1 LEU 91 -7.131 -6.596 3.045 710 HD13 LEU 91 3HD1 LEU 91 -6.712 -5.457 1.761 711 HD21 LEU 91 3HD2 LEU 91 -7.057 -4.784 4.774 712 HD22 LEU 91 1HD2 LEU 91 -8.061 -3.345 4.612 713 HD23 LEU 91 2HD2 LEU 91 -6.650 -3.555 3.573 714 H THR 92 H THR 92 -11.811 -2.806 0.977 715 HA THR 92 HA THR 92 -11.027 -1.097 -1.134 716 HB THR 92 HB THR 92 -13.819 -2.125 -0.440 717 HG1 THR 92 HG1 THR 92 -11.896 -3.591 -1.026 718 HG21 THR 92 3HG2 THR 92 -14.393 -1.719 -2.814 719 HG22 THR 92 1HG2 THR 92 -12.803 -1.004 -3.086 720 HG23 THR 92 2HG2 THR 92 -13.957 -0.204 -2.014 721 H GLN 93 H GLN 93 -13.391 -0.587 1.530 722 HA GLN 93 HA GLN 93 -14.056 2.077 0.710 723 HB2 GLN 93 2HB GLN 93 -15.340 2.252 2.804 724 HB3 GLN 93 3HB GLN 93 -15.694 0.754 1.966 725 HG2 GLN 93 2HG GLN 93 -15.625 0.128 4.213 726 HG3 GLN 93 3HG GLN 93 -14.054 -0.364 3.598 727 HE21 GLN 93 1HE2 GLN 93 -14.874 2.973 4.465 728 HE22 GLN 93 2HE2 GLN 93 -13.807 3.058 5.816 729 H ARG 94 H ARG 94 -11.530 0.712 2.656 730 HA ARG 94 HA ARG 94 -10.810 3.178 3.959 731 HB2 ARG 94 2HB ARG 94 -10.320 0.519 4.497 732 HB3 ARG 94 3HB ARG 94 -8.783 0.978 3.791 733 HG2 ARG 94 2HG ARG 94 -10.096 2.364 6.143 734 HG3 ARG 94 3HG ARG 94 -8.851 1.126 6.271 735 HD2 ARG 94 2HD ARG 94 -7.339 2.655 4.909 736 HD3 ARG 94 3HD ARG 94 -8.565 3.913 5.104 737 HE ARG 94 HE ARG 94 -7.991 2.955 7.645 738 HH11 ARG 94 1HH1 ARG 94 -6.246 4.665 5.094 739 HH12 ARG 94 2HH1 ARG 94 -5.163 5.434 6.210 740 HH21 ARG 94 1HH2 ARG 94 -6.509 3.916 9.053 741 HH22 ARG 94 2HH2 ARG 94 -5.312 5.010 8.437 742 H VAL 95 H VAL 95 -9.968 1.559 0.926 743 HA VAL 95 HA VAL 95 -7.761 3.184 0.194 744 HB VAL 95 HB VAL 95 -9.797 1.760 -1.586 745 HG11 VAL 95 1HG1 VAL 95 -8.216 2.059 -3.480 746 HG12 VAL 95 2HG1 VAL 95 -7.206 3.094 -2.469 747 HG13 VAL 95 3HG1 VAL 95 -8.841 3.603 -2.895 748 HG21 VAL 95 3HG2 VAL 95 -8.407 0.236 -0.248 749 HG22 VAL 95 1HG2 VAL 95 -6.943 1.002 -0.860 750 HG23 VAL 95 2HG2 VAL 95 -7.996 0.103 -1.956 751 H ARG 96 H ARG 96 -11.318 3.596 -0.341 752 HA ARG 96 HA ARG 96 -11.035 6.056 -1.770 753 HB2 ARG 96 2HB ARG 96 -13.431 6.372 -1.587 754 HB3 ARG 96 3HB ARG 96 -13.087 4.697 -1.972 755 HG2 ARG 96 2HG ARG 96 -13.604 3.986 0.265 756 HG3 ARG 96 3HG ARG 96 -13.760 5.659 0.813 757 HD2 ARG 96 2HD ARG 96 -15.951 4.634 0.515 758 HD3 ARG 96 3HD ARG 96 -15.729 5.943 -0.646 759 HE ARG 96 HE ARG 96 -15.024 3.943 -2.181 760 HH11 ARG 96 1HH1 ARG 96 -17.689 3.974 0.117 761 HH12 ARG 96 2HH1 ARG 96 -18.632 2.834 -0.787 762 HH21 ARG 96 1HH2 ARG 96 -16.263 2.454 -3.343 763 HH22 ARG 96 2HH2 ARG 96 -17.822 1.974 -2.750 764 H GLU 97 H GLU 97 -11.622 5.320 1.666 765 HA GLU 97 HA GLU 97 -12.026 7.990 2.530 766 HB2 GLU 97 2HB GLU 97 -11.161 5.490 4.036 767 HB3 GLU 97 3HB GLU 97 -11.416 7.034 4.837 768 HG2 GLU 97 2HG GLU 97 -13.496 5.413 3.351 769 HG3 GLU 97 3HG GLU 97 -13.382 5.639 5.093 770 H PHE 98 H PHE 98 -9.129 6.024 2.092 771 HA PHE 98 HA PHE 98 -7.229 7.771 3.249 772 HB2 PHE 98 2HB PHE 98 -6.601 5.463 2.680 773 HB3 PHE 98 3HB PHE 98 -6.906 5.761 0.970 774 HD1 PHE 98 HD1 PHE 98 -4.647 6.556 3.810 775 HD2 PHE 98 HD2 PHE 98 -5.212 6.830 -0.426 776 HE1 PHE 98 HE1 PHE 98 -2.326 7.313 3.536 777 HE2 PHE 98 HE2 PHE 98 -2.887 7.587 -0.684 778 HZ PHE 98 HZ PHE 98 -1.448 7.832 1.296 779 H LEU 99 H LEU 99 -8.125 7.297 -0.191 780 HA LEU 99 HA LEU 99 -6.621 9.359 -1.332 781 HB2 LEU 99 2HB LEU 99 -9.269 8.176 -2.272 782 HB3 LEU 99 3HB LEU 99 -8.195 9.129 -3.279 783 HG LEU 99 HG LEU 99 -7.430 6.442 -2.068 784 HD11 LEU 99 1HD1 LEU 99 -7.779 5.462 -4.289 785 HD12 LEU 99 2HD1 LEU 99 -8.381 7.006 -4.897 786 HD13 LEU 99 3HD1 LEU 99 -9.279 6.136 -3.651 787 HD21 LEU 99 3HD2 LEU 99 -5.492 7.849 -2.558 788 HD22 LEU 99 1HD2 LEU 99 -6.062 8.096 -4.212 789 HD23 LEU 99 2HD2 LEU 99 -5.568 6.488 -3.673 790 H LYS 100 H LYS 100 -9.719 9.417 0.224 791 HA LYS 100 HA LYS 100 -10.726 11.932 -0.653 792 HB2 LYS 100 2HB LYS 100 -12.065 9.985 0.297 793 HB3 LYS 100 3HB LYS 100 -11.405 10.365 1.882 794 HG2 LYS 100 2HG LYS 100 -13.642 11.244 1.719 795 HG3 LYS 100 3HG LYS 100 -12.509 12.600 1.759 796 HD2 LYS 100 2HD LYS 100 -12.805 13.057 -0.569 797 HD3 LYS 100 3HD LYS 100 -13.567 11.490 -0.867 798 HE2 LYS 100 2HE LYS 100 -14.785 13.742 0.776 799 HE3 LYS 100 3HE LYS 100 -15.204 13.337 -0.892 800 HZ1 LYS 100 3HZ LYS 100 -15.853 11.103 -0.086 801 HZ2 LYS 100 1HZ LYS 100 -16.790 12.349 0.566 802 HZ3 LYS 100 2HZ LYS 100 -15.584 11.623 1.500 803 H THR 101 H THR 101 -9.168 10.834 2.371 804 HA THR 101 HA THR 101 -9.124 13.515 3.477 805 HB THR 101 HB THR 101 -9.592 11.471 4.865 806 HG1 THR 101 HG1 THR 101 -7.446 12.503 6.194 807 HG21 THR 101 3HG2 THR 101 -7.723 10.112 5.696 808 HG22 THR 101 1HG2 THR 101 -6.596 10.979 4.645 809 HG23 THR 101 2HG2 THR 101 -7.846 9.952 3.944 810 H ALA 102 H ALA 102 -6.993 11.583 1.611 811 HA ALA 102 HA ALA 102 -4.475 12.698 2.379 812 HB1 ALA 102 3HB ALA 102 -4.637 10.518 1.256 813 HB2 ALA 102 1HB ALA 102 -3.605 11.621 0.344 814 HB3 ALA 102 2HB ALA 102 -5.256 11.298 -0.200 815 H GLY 103 H GLY 103 -7.083 13.803 0.380 816 HA2 GLY 103 2HA GLY 103 -5.751 15.820 -1.121 817 HA3 GLY 103 3HA GLY 103 -7.453 15.803 -0.690 818 H SER 104 H SER 104 -6.093 15.568 2.219 819 HA SER 104 HA SER 104 -5.514 18.447 2.647 820 HB2 SER 104 2HB SER 104 -7.634 17.534 3.718 821 HB3 SER 104 3HB SER 104 -6.633 16.433 4.664 822 HG SER 104 HG SER 104 -6.857 19.242 4.819 823 H LEU 105 H LEU 105 -4.237 18.561 4.939 824 HA LEU 105 HA LEU 105 -1.813 16.958 4.740 825 HB2 LEU 105 2HB LEU 105 -2.670 19.106 6.722 826 HB3 LEU 105 3HB LEU 105 -1.111 18.300 6.779 827 HG LEU 105 HG LEU 105 -2.110 20.114 4.545 828 HD11 LEU 105 1HD1 LEU 105 -1.533 21.343 6.586 829 HD12 LEU 105 2HD1 LEU 105 -0.405 21.691 5.281 830 HD13 LEU 105 3HD1 LEU 105 0.075 20.610 6.593 831 HD21 LEU 105 3HD2 LEU 105 -0.679 18.353 3.606 832 HD22 LEU 105 1HD2 LEU 105 0.591 18.731 4.773 833 HD23 LEU 105 2HD2 LEU 105 0.130 19.914 3.546 834 H GLU 106 H GLU 106 -3.082 14.943 5.008 835 HA GLU 106 HA GLU 106 -4.230 14.299 7.560 836 HB2 GLU 106 2HB GLU 106 -5.074 13.175 5.568 837 HB3 GLU 106 3HB GLU 106 -3.478 12.543 5.187 838 HG2 GLU 106 2HG GLU 106 -4.925 10.794 6.095 839 HG3 GLU 106 3HG GLU 106 -3.558 11.087 7.161 840 H HIS 107 H HIS 107 -3.184 13.743 9.325 841 HA HIS 107 HA HIS 107 -0.310 12.999 9.242 842 HB2 HIS 107 2HB HIS 107 -1.934 14.422 11.400 843 HB3 HIS 107 3HB HIS 107 -0.239 13.967 11.571 844 HD1 HIS 107 HD1 HIS 107 -2.266 16.776 10.667 845 HD2 HIS 107 HD2 HIS 107 1.375 15.267 9.372 846 HE1 HIS 107 HE1 HIS 107 -1.127 18.678 9.481 847 HE2 HIS 107 HE2 HIS 107 1.127 17.768 8.843 848 H HIS 108 H HIS 108 -2.899 11.289 9.181 849 HA HIS 108 HA HIS 108 -2.866 9.606 11.475 850 HB2 HIS 108 2HB HIS 108 -4.710 9.699 9.709 851 HB3 HIS 108 3HB HIS 108 -3.646 8.821 8.621 852 HD1 HIS 108 HD1 HIS 108 -6.361 8.253 10.819 853 HD2 HIS 108 HD2 HIS 108 -2.884 6.163 9.933 854 HE1 HIS 108 HE1 HIS 108 -6.779 5.896 11.554 855 HE2 HIS 108 HE2 HIS 108 -4.686 4.642 10.967 856 H HIS 109 H HIS 109 -0.743 9.161 11.982 857 HA HIS 109 HA HIS 109 0.723 7.093 10.692 858 HB2 HIS 109 2HB HIS 109 1.354 8.808 9.067 859 HB3 HIS 109 3HB HIS 109 1.713 9.975 10.334 860 HD1 HIS 109 HD1 HIS 109 4.130 10.182 10.881 861 HD2 HIS 109 HD2 HIS 109 3.243 6.489 9.217 862 HE1 HIS 109 HE1 HIS 109 6.318 8.964 10.753 863 HE2 HIS 109 HE2 HIS 109 5.684 6.654 10.030 864 H HIS 110 H HIS 110 2.108 6.224 12.148 865 HA HIS 110 HA HIS 110 3.016 7.789 14.489 866 HB2 HIS 110 2HB HIS 110 1.854 4.976 14.404 867 HB3 HIS 110 3HB HIS 110 2.952 5.461 15.696 868 HD1 HIS 110 HD1 HIS 110 -0.561 5.403 14.906 869 HD2 HIS 110 HD2 HIS 110 1.940 7.897 17.093 870 HE1 HIS 110 HE1 HIS 110 -2.069 6.735 16.410 871 HE2 HIS 110 HE2 HIS 110 -0.545 8.340 17.600 872 H HIS 111 H HIS 111 4.830 6.249 15.595 873 HA HIS 111 HA HIS 111 7.079 6.773 13.958 874 HB2 HIS 111 2HB HIS 111 6.858 5.259 16.601 875 HB3 HIS 111 3HB HIS 111 8.392 5.671 15.842 876 HD1 HIS 111 HD1 HIS 111 9.165 7.196 17.718 877 HD2 HIS 111 HD2 HIS 111 5.502 8.347 16.126 878 HE1 HIS 111 HE1 HIS 111 8.674 9.451 18.709 879 HE2 HIS 111 HE2 HIS 111 6.367 10.025 17.886 880 H HIS 112 H HIS 112 5.186 3.912 14.359 881 HA HIS 112 HA HIS 112 6.671 2.579 12.224 882 HB2 HIS 112 2HB HIS 112 7.559 1.622 14.376 883 HB3 HIS 112 3HB HIS 112 5.928 1.126 14.816 884 HD1 HIS 112 HD1 HIS 112 5.383 -1.240 14.196 885 HD2 HIS 112 HD2 HIS 112 8.408 0.332 11.811 886 HE1 HIS 112 HE1 HIS 112 6.147 -3.133 12.730 887 HE2 HIS 112 HE2 HIS 112 8.082 -2.197 11.431 Start of MODEL 3 1 H1 MET 1 1H MET 1 0.296 14.728 1.218 2 H2 MET 1 2H MET 1 0.242 13.753 -0.159 3 H3 MET 1 3H MET 1 -0.258 15.360 -0.246 4 HA MET 1 HA MET 1 1.897 15.129 -1.239 5 HB2 MET 1 2HB MET 1 1.981 16.556 1.454 6 HB3 MET 1 3HB MET 1 3.126 16.820 0.146 7 HG2 MET 1 2HG MET 1 1.305 17.690 -1.265 8 HG3 MET 1 3HG MET 1 0.161 17.426 0.048 9 HE1 MET 1 3HE MET 1 0.308 18.772 2.419 10 HE2 MET 1 1HE MET 1 1.526 20.004 2.741 11 HE3 MET 1 2HE MET 1 2.000 18.310 2.596 12 H GLY 2 H GLY 2 3.009 13.226 -1.376 13 HA2 GLY 2 2HA GLY 2 4.516 11.562 -0.900 14 HA3 GLY 2 3HA GLY 2 5.181 12.665 0.297 15 H LYS 3 H LYS 3 2.094 10.902 0.007 16 HA LYS 3 HA LYS 3 2.471 9.755 2.717 17 HB2 LYS 3 2HB LYS 3 0.999 11.794 2.807 18 HB3 LYS 3 3HB LYS 3 -0.098 11.044 1.652 19 HG2 LYS 3 2HG LYS 3 -0.749 9.352 3.217 20 HG3 LYS 3 3HG LYS 3 0.550 9.776 4.334 21 HD2 LYS 3 2HD LYS 3 -0.548 11.990 4.715 22 HD3 LYS 3 3HD LYS 3 -1.867 11.496 3.648 23 HE2 LYS 3 2HE LYS 3 -2.366 11.251 6.101 24 HE3 LYS 3 3HE LYS 3 -2.542 9.750 5.186 25 HZ1 LYS 3 3HZ LYS 3 -0.417 9.014 5.985 26 HZ2 LYS 3 1HZ LYS 3 -1.361 9.457 7.310 27 HZ3 LYS 3 2HZ LYS 3 -0.127 10.483 6.772 28 H VAL 4 H VAL 4 1.570 7.671 2.970 29 HA VAL 4 HA VAL 4 0.480 6.361 0.578 30 HB VAL 4 HB VAL 4 2.990 6.230 0.487 31 HG11 VAL 4 1HG1 VAL 4 4.235 4.755 1.948 32 HG12 VAL 4 2HG1 VAL 4 2.789 4.472 2.920 33 HG13 VAL 4 3HG1 VAL 4 3.505 6.087 2.853 34 HG21 VAL 4 3HG2 VAL 4 3.101 3.854 -0.103 35 HG22 VAL 4 1HG2 VAL 4 1.610 4.594 -0.685 36 HG23 VAL 4 2HG2 VAL 4 1.581 3.563 0.749 37 H LEU 5 H LEU 5 -0.741 4.546 0.986 38 HA LEU 5 HA LEU 5 -1.290 3.867 3.816 39 HB2 LEU 5 2HB LEU 5 -3.243 4.630 2.482 40 HB3 LEU 5 3HB LEU 5 -2.944 3.367 1.299 41 HG LEU 5 HG LEU 5 -3.471 1.634 2.999 42 HD11 LEU 5 1HD1 LEU 5 -4.474 2.242 5.160 43 HD12 LEU 5 2HD1 LEU 5 -4.091 3.939 4.860 44 HD13 LEU 5 3HD1 LEU 5 -2.791 2.754 5.037 45 HD21 LEU 5 3HD2 LEU 5 -5.900 2.011 3.139 46 HD22 LEU 5 1HD2 LEU 5 -5.279 2.432 1.544 47 HD23 LEU 5 2HD2 LEU 5 -5.676 3.706 2.698 48 H LEU 6 H LEU 6 0.170 2.337 4.313 49 HA LEU 6 HA LEU 6 0.954 0.142 2.625 50 HB2 LEU 6 2HB LEU 6 2.500 1.007 4.315 51 HB3 LEU 6 3HB LEU 6 1.337 0.731 5.596 52 HG LEU 6 HG LEU 6 1.608 -1.734 5.290 53 HD11 LEU 6 1HD1 LEU 6 3.779 -1.026 3.308 54 HD12 LEU 6 2HD1 LEU 6 2.246 -1.821 2.944 55 HD13 LEU 6 3HD1 LEU 6 3.439 -2.636 3.951 56 HD21 LEU 6 3HD2 LEU 6 3.844 -1.911 6.309 57 HD22 LEU 6 1HD2 LEU 6 2.936 -0.563 6.992 58 HD23 LEU 6 2HD2 LEU 6 4.213 -0.256 5.812 59 H VAL 7 H VAL 7 -0.962 -0.894 2.026 60 HA VAL 7 HA VAL 7 -2.777 -2.076 3.964 61 HB VAL 7 HB VAL 7 -2.598 -2.421 0.921 62 HG11 VAL 7 1HG1 VAL 7 -4.735 -3.453 2.822 63 HG12 VAL 7 2HG1 VAL 7 -3.601 -4.427 1.886 64 HG13 VAL 7 3HG1 VAL 7 -4.835 -3.481 1.058 65 HG21 VAL 7 3HG2 VAL 7 -4.620 -0.999 0.870 66 HG22 VAL 7 1HG2 VAL 7 -3.247 -0.160 1.596 67 HG23 VAL 7 2HG2 VAL 7 -4.530 -0.804 2.624 68 H ILE 8 H ILE 8 -1.912 -3.650 5.153 69 HA ILE 8 HA ILE 8 -0.382 -5.865 3.931 70 HB ILE 8 HB ILE 8 -0.774 -5.236 6.908 71 HG12 ILE 8 2HG1 ILE 8 1.655 -4.680 5.144 72 HG13 ILE 8 3HG1 ILE 8 0.559 -3.466 5.787 73 HG21 ILE 8 1HG2 ILE 8 1.117 -7.220 5.570 74 HG22 ILE 8 2HG2 ILE 8 -0.334 -7.631 6.485 75 HG23 ILE 8 3HG2 ILE 8 1.036 -6.880 7.302 76 HD11 ILE 8 3HD1 ILE 8 1.269 -3.993 8.043 77 HD12 ILE 8 1HD1 ILE 8 2.638 -3.569 7.019 78 HD13 ILE 8 2HD1 ILE 8 2.339 -5.257 7.427 79 H SER 9 H SER 9 -1.324 -7.829 3.766 80 HA SER 9 HA SER 9 -3.352 -8.765 5.602 81 HB2 SER 9 2HB SER 9 -4.770 -7.591 3.924 82 HB3 SER 9 3HB SER 9 -4.012 -8.508 2.628 83 HG SER 9 HG SER 9 -6.148 -9.171 3.888 84 H THR 10 H THR 10 -3.685 -11.053 5.372 85 HA THR 10 HA THR 10 -1.311 -12.480 4.524 86 HB THR 10 HB THR 10 -2.588 -14.487 5.466 87 HG1 THR 10 HG1 THR 10 -4.713 -13.820 5.250 88 HG21 THR 10 3HG2 THR 10 -2.401 -13.786 7.813 89 HG22 THR 10 1HG2 THR 10 -2.335 -12.092 7.319 90 HG23 THR 10 2HG2 THR 10 -1.026 -13.194 6.881 91 H ASP 11 H ASP 11 -4.696 -12.232 3.566 92 HA ASP 11 HA ASP 11 -4.570 -14.316 1.558 93 HB2 ASP 11 2HB ASP 11 -6.754 -12.244 2.062 94 HB3 ASP 11 3HB ASP 11 -6.910 -13.719 1.109 95 H THR 12 H THR 12 -3.137 -13.724 -0.021 96 HA THR 12 HA THR 12 -2.860 -11.241 -1.327 97 HB THR 12 HB THR 12 -1.694 -12.545 -3.118 98 HG1 THR 12 HG1 THR 12 -2.674 -14.461 -3.369 99 HG21 THR 12 3HG2 THR 12 0.061 -13.579 -1.709 100 HG22 THR 12 1HG2 THR 12 -1.013 -13.516 -0.309 101 HG23 THR 12 2HG2 THR 12 -0.433 -12.021 -1.047 102 H ASN 13 H ASN 13 -5.124 -13.810 -1.698 103 HA ASN 13 HA ASN 13 -6.335 -13.265 -4.167 104 HB2 ASN 13 2HB ASN 13 -7.739 -14.304 -1.656 105 HB3 ASN 13 3HB ASN 13 -8.245 -14.544 -3.328 106 HD21 ASN 13 1HD2 ASN 13 -7.121 -16.081 -4.614 107 HD22 ASN 13 2HD2 ASN 13 -6.074 -17.259 -3.903 108 H ILE 14 H ILE 14 -7.176 -12.132 -0.897 109 HA ILE 14 HA ILE 14 -9.347 -10.441 -1.632 110 HB ILE 14 HB ILE 14 -7.616 -10.543 0.884 111 HG12 ILE 14 2HG1 ILE 14 -8.988 -12.552 0.545 112 HG13 ILE 14 3HG1 ILE 14 -9.594 -11.642 1.920 113 HG21 ILE 14 1HG2 ILE 14 -10.147 -8.912 0.503 114 HG22 ILE 14 2HG2 ILE 14 -8.515 -8.280 0.721 115 HG23 ILE 14 3HG2 ILE 14 -9.301 -9.158 2.031 116 HD11 ILE 14 3HD1 ILE 14 -11.438 -10.785 0.531 117 HD12 ILE 14 1HD1 ILE 14 -11.408 -12.548 0.588 118 HD13 ILE 14 2HD1 ILE 14 -10.821 -11.706 -0.844 119 H ILE 15 H ILE 15 -5.953 -9.805 -0.858 120 HA ILE 15 HA ILE 15 -5.676 -7.077 -1.116 121 HB ILE 15 HB ILE 15 -3.829 -9.377 -1.875 122 HG12 ILE 15 2HG1 ILE 15 -3.785 -7.459 0.498 123 HG13 ILE 15 3HG1 ILE 15 -4.415 -9.101 0.529 124 HG21 ILE 15 1HG2 ILE 15 -3.098 -7.486 -3.239 125 HG22 ILE 15 2HG2 ILE 15 -1.924 -7.813 -1.965 126 HG23 ILE 15 3HG2 ILE 15 -3.041 -6.459 -1.808 127 HD11 ILE 15 3HD1 ILE 15 -2.175 -9.959 0.033 128 HD12 ILE 15 1HD1 ILE 15 -2.232 -9.013 1.519 129 HD13 ILE 15 2HD1 ILE 15 -1.550 -8.306 0.056 130 H SER 16 H SER 16 -5.386 -9.483 -3.717 131 HA SER 16 HA SER 16 -4.939 -7.702 -5.865 132 HB2 SER 16 2HB SER 16 -4.282 -10.097 -5.897 133 HB3 SER 16 3HB SER 16 -5.979 -10.577 -5.900 134 HG SER 16 HG SER 16 -5.342 -8.788 -7.869 135 H SER 17 H SER 17 -7.839 -9.336 -4.678 136 HA SER 17 HA SER 17 -9.640 -8.668 -6.699 137 HB2 SER 17 2HB SER 17 -10.066 -10.388 -4.980 138 HB3 SER 17 3HB SER 17 -10.205 -9.138 -3.743 139 HG SER 17 HG SER 17 -12.249 -9.281 -4.279 140 H VAL 18 H VAL 18 -9.246 -7.084 -3.527 141 HA VAL 18 HA VAL 18 -10.984 -4.925 -3.800 142 HB VAL 18 HB VAL 18 -8.397 -5.181 -2.183 143 HG11 VAL 18 1HG1 VAL 18 -10.538 -3.033 -1.918 144 HG12 VAL 18 2HG1 VAL 18 -8.880 -2.792 -2.476 145 HG13 VAL 18 3HG1 VAL 18 -9.186 -3.281 -0.812 146 HG21 VAL 18 3HG2 VAL 18 -10.158 -6.801 -1.602 147 HG22 VAL 18 1HG2 VAL 18 -11.308 -5.484 -1.346 148 HG23 VAL 18 2HG2 VAL 18 -9.900 -5.650 -0.293 149 H GLN 19 H GLN 19 -7.533 -5.167 -4.569 150 HA GLN 19 HA GLN 19 -7.003 -2.487 -5.130 151 HB2 GLN 19 2HB GLN 19 -5.301 -4.245 -4.744 152 HB3 GLN 19 3HB GLN 19 -5.685 -4.963 -6.306 153 HG2 GLN 19 2HG GLN 19 -4.946 -2.878 -7.415 154 HG3 GLN 19 3HG GLN 19 -4.509 -2.209 -5.844 155 HE21 GLN 19 1HE2 GLN 19 -3.453 -4.798 -4.841 156 HE22 GLN 19 2HE2 GLN 19 -1.937 -5.001 -5.642 157 H GLU 20 H GLU 20 -7.956 -5.096 -7.361 158 HA GLU 20 HA GLU 20 -7.781 -3.528 -9.736 159 HB2 GLU 20 2HB GLU 20 -9.310 -6.114 -9.250 160 HB3 GLU 20 3HB GLU 20 -8.950 -5.419 -10.826 161 HG2 GLU 20 2HG GLU 20 -6.989 -6.563 -8.830 162 HG3 GLU 20 3HG GLU 20 -7.396 -7.199 -10.421 163 H ARG 21 H ARG 21 -10.449 -4.342 -7.563 164 HA ARG 21 HA ARG 21 -12.567 -3.142 -9.028 165 HB2 ARG 21 2HB ARG 21 -12.292 -3.538 -6.015 166 HB3 ARG 21 3HB ARG 21 -13.803 -3.186 -6.858 167 HG2 ARG 21 2HG ARG 21 -13.697 -5.334 -8.020 168 HG3 ARG 21 3HG ARG 21 -12.108 -5.653 -7.333 169 HD2 ARG 21 2HD ARG 21 -13.214 -5.595 -5.034 170 HD3 ARG 21 3HD ARG 21 -14.768 -5.586 -5.876 171 HE ARG 21 HE ARG 21 -12.766 -7.725 -6.295 172 HH11 ARG 21 1HH1 ARG 21 -16.071 -6.855 -5.451 173 HH12 ARG 21 2HH1 ARG 21 -16.630 -8.497 -5.434 174 HH21 ARG 21 1HH2 ARG 21 -13.488 -9.862 -6.270 175 HH22 ARG 21 2HH2 ARG 21 -15.153 -10.211 -5.899 176 H ALA 22 H ALA 22 -10.202 -1.886 -6.756 177 HA ALA 22 HA ALA 22 -11.341 0.740 -6.473 178 HB1 ALA 22 3HB ALA 22 -8.544 -0.258 -5.822 179 HB2 ALA 22 1HB ALA 22 -9.921 -0.244 -4.718 180 HB3 ALA 22 2HB ALA 22 -9.242 1.278 -5.298 181 H LYS 23 H LYS 23 -8.996 -0.764 -8.653 182 HA LYS 23 HA LYS 23 -8.074 1.647 -9.904 183 HB2 LYS 23 2HB LYS 23 -8.048 -1.259 -10.831 184 HB3 LYS 23 3HB LYS 23 -7.304 0.050 -11.749 185 HG2 LYS 23 2HG LYS 23 -5.743 0.503 -9.922 186 HG3 LYS 23 3HG LYS 23 -6.525 -0.718 -8.915 187 HD2 LYS 23 2HD LYS 23 -5.831 -2.491 -10.464 188 HD3 LYS 23 3HD LYS 23 -5.130 -1.296 -11.559 189 HE2 LYS 23 2HE LYS 23 -3.407 -0.738 -9.966 190 HE3 LYS 23 3HE LYS 23 -4.185 -1.692 -8.699 191 HZ1 LYS 23 3HZ LYS 23 -2.325 -2.895 -9.639 192 HZ2 LYS 23 1HZ LYS 23 -2.972 -2.770 -11.200 193 HZ3 LYS 23 2HZ LYS 23 -3.762 -3.692 -10.025 194 H HIS 24 H HIS 24 -10.625 -0.704 -10.684 195 HA HIS 24 HA HIS 24 -11.403 0.630 -13.135 196 HB2 HIS 24 2HB HIS 24 -12.651 -1.703 -11.627 197 HB3 HIS 24 3HB HIS 24 -13.305 -1.063 -13.130 198 HD1 HIS 24 HD1 HIS 24 -11.557 -1.146 -15.233 199 HD2 HIS 24 HD2 HIS 24 -10.745 -3.652 -12.015 200 HE1 HIS 24 HE1 HIS 24 -9.936 -2.852 -16.103 201 HE2 HIS 24 HE2 HIS 24 -9.582 -4.429 -14.188 202 H ASN 25 H ASN 25 -12.317 0.882 -9.790 203 HA ASN 25 HA ASN 25 -14.746 2.401 -10.381 204 HB2 ASN 25 2HB ASN 25 -14.567 0.921 -8.334 205 HB3 ASN 25 3HB ASN 25 -13.377 2.036 -7.669 206 HD21 ASN 25 1HD2 ASN 25 -14.794 2.358 -5.877 207 HD22 ASN 25 2HD2 ASN 25 -16.188 3.373 -6.010 208 H TYR 26 H TYR 26 -11.412 3.043 -9.340 209 HA TYR 26 HA TYR 26 -11.871 5.967 -9.641 210 HB2 TYR 26 2HB TYR 26 -9.655 4.656 -7.985 211 HB3 TYR 26 3HB TYR 26 -10.101 6.363 -8.014 212 HD1 TYR 26 HD1 TYR 26 -12.567 6.929 -7.282 213 HD2 TYR 26 HD2 TYR 26 -10.609 3.261 -6.310 214 HE1 TYR 26 HE1 TYR 26 -14.237 6.493 -5.542 215 HE2 TYR 26 HE2 TYR 26 -12.269 2.834 -4.554 216 HH TYR 26 HH TYR 26 -15.191 4.557 -4.374 217 HA PRO 27 HA PRO 27 -9.511 4.671 -13.412 218 HB2 PRO 27 2HB PRO 27 -10.314 7.465 -14.221 219 HB3 PRO 27 3HB PRO 27 -10.480 5.936 -15.114 220 HG2 PRO 27 2HG PRO 27 -12.606 7.077 -14.014 221 HG3 PRO 27 3HG PRO 27 -12.414 5.309 -13.956 222 HD2 PRO 27 2HD PRO 27 -11.913 7.342 -11.789 223 HD3 PRO 27 3HD PRO 27 -12.679 5.740 -11.685 224 H GLY 28 H GLY 28 -9.311 7.912 -11.973 225 HA2 GLY 28 2HA GLY 28 -6.544 8.301 -12.891 226 HA3 GLY 28 3HA GLY 28 -7.630 9.526 -12.248 227 H ARG 29 H ARG 29 -6.684 6.347 -10.933 228 HA ARG 29 HA ARG 29 -5.120 7.674 -8.808 229 HB2 ARG 29 2HB ARG 29 -7.266 5.546 -8.417 230 HB3 ARG 29 3HB ARG 29 -5.990 5.793 -7.232 231 HG2 ARG 29 2HG ARG 29 -8.066 7.839 -8.077 232 HG3 ARG 29 3HG ARG 29 -8.022 6.948 -6.553 233 HD2 ARG 29 2HD ARG 29 -5.837 8.042 -6.016 234 HD3 ARG 29 3HD ARG 29 -5.976 8.994 -7.499 235 HE ARG 29 HE ARG 29 -7.345 9.416 -5.010 236 HH11 ARG 29 1HH1 ARG 29 -7.505 10.028 -8.475 237 HH12 ARG 29 2HH1 ARG 29 -8.576 11.380 -8.299 238 HH21 ARG 29 1HH2 ARG 29 -8.800 11.114 -4.812 239 HH22 ARG 29 2HH2 ARG 29 -9.301 11.985 -6.217 240 H GLU 30 H GLU 30 -3.157 6.950 -8.809 241 HA GLU 30 HA GLU 30 -2.356 4.447 -10.057 242 HB2 GLU 30 2HB GLU 30 -0.740 6.644 -8.665 243 HB3 GLU 30 3HB GLU 30 -0.042 5.243 -9.467 244 HG2 GLU 30 2HG GLU 30 0.157 7.157 -10.919 245 HG3 GLU 30 3HG GLU 30 -0.983 6.015 -11.623 246 H ILE 31 H ILE 31 -2.196 2.589 -8.919 247 HA ILE 31 HA ILE 31 -1.936 2.684 -5.961 248 HB ILE 31 HB ILE 31 -3.427 0.572 -7.618 249 HG12 ILE 31 2HG1 ILE 31 -4.539 2.735 -5.752 250 HG13 ILE 31 3HG1 ILE 31 -4.701 2.706 -7.503 251 HG21 ILE 31 1HG2 ILE 31 -4.102 -0.360 -5.421 252 HG22 ILE 31 2HG2 ILE 31 -3.102 0.844 -4.603 253 HG23 ILE 31 3HG2 ILE 31 -2.349 -0.381 -5.625 254 HD11 ILE 31 3HD1 ILE 31 -6.750 2.019 -6.458 255 HD12 ILE 31 1HD1 ILE 31 -5.918 0.744 -5.568 256 HD13 ILE 31 2HD1 ILE 31 -6.047 0.656 -7.326 257 H ARG 32 H ARG 32 -0.363 1.370 -5.085 258 HA ARG 32 HA ARG 32 1.495 0.033 -6.953 259 HB2 ARG 32 2HB ARG 32 1.900 1.155 -4.149 260 HB3 ARG 32 3HB ARG 32 3.128 0.216 -4.991 261 HG2 ARG 32 2HG ARG 32 1.985 2.863 -5.925 262 HG3 ARG 32 3HG ARG 32 3.546 2.637 -5.135 263 HD2 ARG 32 2HD ARG 32 4.313 1.250 -7.031 264 HD3 ARG 32 3HD ARG 32 2.741 1.446 -7.814 265 HE ARG 32 HE ARG 32 3.550 4.000 -7.473 266 HH11 ARG 32 1HH1 ARG 32 5.122 1.201 -8.934 267 HH12 ARG 32 2HH1 ARG 32 6.030 2.152 -10.067 268 HH21 ARG 32 1HH2 ARG 32 4.726 5.227 -8.995 269 HH22 ARG 32 2HH2 ARG 32 5.804 4.434 -10.101 270 H THR 33 H THR 33 2.488 -1.913 -6.342 271 HA THR 33 HA THR 33 1.332 -3.535 -4.166 272 HB THR 33 HB THR 33 1.754 -4.518 -7.044 273 HG1 THR 33 HG1 THR 33 -0.192 -3.256 -6.560 274 HG21 THR 33 3HG2 THR 33 2.291 -6.280 -5.399 275 HG22 THR 33 1HG2 THR 33 0.805 -6.658 -6.266 276 HG23 THR 33 2HG2 THR 33 0.727 -6.039 -4.614 277 H ALA 34 H ALA 34 3.022 -4.401 -2.991 278 HA ALA 34 HA ALA 34 5.754 -3.989 -3.846 279 HB1 ALA 34 3HB ALA 34 6.336 -4.986 -1.673 280 HB2 ALA 34 1HB ALA 34 4.647 -5.434 -1.415 281 HB3 ALA 34 2HB ALA 34 5.107 -3.732 -1.496 282 H THR 35 H THR 35 6.366 -5.259 -5.478 283 HA THR 35 HA THR 35 5.766 -8.004 -5.901 284 HB THR 35 HB THR 35 8.229 -6.499 -6.929 285 HG1 THR 35 HG1 THR 35 6.939 -5.308 -8.111 286 HG21 THR 35 3HG2 THR 35 8.174 -8.926 -7.490 287 HG22 THR 35 1HG2 THR 35 7.974 -7.929 -8.931 288 HG23 THR 35 2HG2 THR 35 6.574 -8.724 -8.208 289 H SER 36 H SER 36 8.326 -6.251 -4.293 290 HA SER 36 HA SER 36 9.255 -8.403 -2.667 291 HB2 SER 36 2HB SER 36 10.340 -9.069 -4.817 292 HB3 SER 36 3HB SER 36 11.082 -7.476 -4.947 293 HG SER 36 HG SER 36 12.236 -9.472 -3.929 294 H SER 37 H SER 37 11.473 -7.623 -1.647 295 HA SER 37 HA SER 37 11.292 -5.149 -0.343 296 HB2 SER 37 2HB SER 37 13.748 -5.632 0.198 297 HB3 SER 37 3HB SER 37 12.623 -6.937 0.581 298 HG SER 37 HG SER 37 13.268 -8.030 -1.242 299 H GLN 38 H GLN 38 12.934 -6.093 -3.329 300 HA GLN 38 HA GLN 38 14.337 -3.721 -3.922 301 HB2 GLN 38 2HB GLN 38 14.723 -5.854 -5.104 302 HB3 GLN 38 3HB GLN 38 13.109 -5.792 -5.799 303 HG2 GLN 38 2HG GLN 38 14.729 -5.161 -7.477 304 HG3 GLN 38 3HG GLN 38 13.758 -3.750 -7.065 305 HE21 GLN 38 1HE2 GLN 38 14.747 -2.047 -5.869 306 HE22 GLN 38 2HE2 GLN 38 16.468 -1.886 -5.799 307 H ASP 39 H ASP 39 11.018 -4.737 -4.621 308 HA ASP 39 HA ASP 39 10.293 -2.463 -6.193 309 HB2 ASP 39 2HB ASP 39 9.184 -4.759 -6.246 310 HB3 ASP 39 3HB ASP 39 8.415 -4.355 -4.720 311 H ILE 40 H ILE 40 10.047 -3.270 -2.738 312 HA ILE 40 HA ILE 40 8.512 -1.160 -1.735 313 HB ILE 40 HB ILE 40 10.914 -2.634 -0.557 314 HG12 ILE 40 2HG1 ILE 40 8.850 -3.978 -0.863 315 HG13 ILE 40 3HG1 ILE 40 9.272 -3.818 0.834 316 HG21 ILE 40 1HG2 ILE 40 10.927 -0.477 0.550 317 HG22 ILE 40 2HG2 ILE 40 10.365 -1.711 1.676 318 HG23 ILE 40 3HG2 ILE 40 9.205 -0.610 0.928 319 HD11 ILE 40 3HD1 ILE 40 6.879 -3.662 0.500 320 HD12 ILE 40 1HD1 ILE 40 7.086 -2.301 -0.600 321 HD13 ILE 40 2HD1 ILE 40 7.502 -2.129 1.107 322 H ARG 41 H ARG 41 12.023 -1.261 -2.386 323 HA ARG 41 HA ARG 41 12.681 1.394 -1.668 324 HB2 ARG 41 2HB ARG 41 13.971 -0.459 -3.709 325 HB3 ARG 41 3HB ARG 41 14.708 1.027 -3.129 326 HG2 ARG 41 2HG ARG 41 14.007 -1.345 -1.377 327 HG3 ARG 41 3HG ARG 41 15.603 -1.046 -2.066 328 HD2 ARG 41 2HD ARG 41 15.706 1.111 -0.804 329 HD3 ARG 41 3HD ARG 41 14.143 0.727 -0.074 330 HE ARG 41 HE ARG 41 15.298 -1.336 0.803 331 HH11 ARG 41 1HH1 ARG 41 17.095 1.662 0.307 332 HH12 ARG 41 2HH1 ARG 41 18.273 1.281 1.524 333 HH21 ARG 41 1HH2 ARG 41 16.813 -1.772 2.416 334 HH22 ARG 41 2HH2 ARG 41 18.109 -0.655 2.707 335 H ASP 42 H ASP 42 11.799 -0.030 -4.805 336 HA ASP 42 HA ASP 42 11.982 2.223 -6.451 337 HB2 ASP 42 2HB ASP 42 11.778 0.050 -7.460 338 HB3 ASP 42 3HB ASP 42 10.244 -0.268 -6.653 339 H ILE 43 H ILE 43 9.219 1.070 -4.534 340 HA ILE 43 HA ILE 43 7.244 2.860 -5.435 341 HB ILE 43 HB ILE 43 7.487 1.448 -2.728 342 HG12 ILE 43 2HG1 ILE 43 5.706 0.742 -5.111 343 HG13 ILE 43 3HG1 ILE 43 7.239 -0.041 -4.759 344 HG21 ILE 43 1HG2 ILE 43 6.032 3.426 -2.505 345 HG22 ILE 43 2HG2 ILE 43 5.102 1.940 -2.384 346 HG23 ILE 43 3HG2 ILE 43 5.057 2.881 -3.873 347 HD11 ILE 43 3HD1 ILE 43 5.438 -1.414 -4.005 348 HD12 ILE 43 1HD1 ILE 43 4.768 -0.094 -3.047 349 HD13 ILE 43 2HD1 ILE 43 6.322 -0.807 -2.606 350 H ILE 44 H ILE 44 9.346 3.005 -2.551 351 HA ILE 44 HA ILE 44 8.285 5.459 -1.564 352 HB ILE 44 HB ILE 44 10.821 3.929 -0.813 353 HG12 ILE 44 2HG1 ILE 44 8.056 4.042 0.501 354 HG13 ILE 44 3HG1 ILE 44 8.647 2.715 -0.491 355 HG21 ILE 44 1HG2 ILE 44 11.060 6.280 -0.099 356 HG22 ILE 44 2HG2 ILE 44 10.816 5.238 1.301 357 HG23 ILE 44 3HG2 ILE 44 9.481 6.218 0.690 358 HD11 ILE 44 3HD1 ILE 44 9.758 3.575 2.172 359 HD12 ILE 44 1HD1 ILE 44 10.387 2.265 1.169 360 HD13 ILE 44 2HD1 ILE 44 8.762 2.158 1.843 361 H LYS 45 H LYS 45 11.022 4.663 -3.642 362 HA LYS 45 HA LYS 45 12.176 7.240 -3.913 363 HB2 LYS 45 2HB LYS 45 13.266 5.172 -4.680 364 HB3 LYS 45 3HB LYS 45 12.021 4.921 -5.889 365 HG2 LYS 45 2HG LYS 45 13.612 7.462 -6.024 366 HG3 LYS 45 3HG LYS 45 14.427 5.970 -6.469 367 HD2 LYS 45 2HD LYS 45 11.802 6.825 -7.737 368 HD3 LYS 45 3HD LYS 45 13.369 7.340 -8.355 369 HE2 LYS 45 2HE LYS 45 12.648 5.457 -9.663 370 HE3 LYS 45 3HE LYS 45 13.985 4.913 -8.656 371 HZ1 LYS 45 3HZ LYS 45 12.447 3.815 -7.205 372 HZ2 LYS 45 1HZ LYS 45 12.122 3.328 -8.791 373 HZ3 LYS 45 2HZ LYS 45 11.116 4.452 -8.031 374 H SER 46 H SER 46 9.517 5.623 -5.633 375 HA SER 46 HA SER 46 8.902 7.775 -7.424 376 HB2 SER 46 2HB SER 46 8.297 5.408 -7.897 377 HB3 SER 46 3HB SER 46 7.178 5.413 -6.534 378 HG SER 46 HG SER 46 6.933 6.538 -9.061 379 H MET 47 H MET 47 7.974 6.943 -4.163 380 HA MET 47 HA MET 47 5.627 8.496 -3.864 381 HB2 MET 47 2HB MET 47 7.658 7.407 -1.877 382 HB3 MET 47 3HB MET 47 6.354 8.449 -1.331 383 HG2 MET 47 2HG MET 47 6.014 5.784 -2.720 384 HG3 MET 47 3HG MET 47 5.800 6.108 -0.997 385 HE1 MET 47 3HE MET 47 2.767 8.730 -1.278 386 HE2 MET 47 1HE MET 47 4.468 9.150 -1.481 387 HE3 MET 47 2HE MET 47 3.975 8.064 -0.181 388 H LYS 48 H LYS 48 9.037 9.168 -3.207 389 HA LYS 48 HA LYS 48 8.678 11.851 -2.288 390 HB2 LYS 48 2HB LYS 48 11.180 10.613 -3.503 391 HB3 LYS 48 3HB LYS 48 11.102 12.067 -2.512 392 HG2 LYS 48 2HG LYS 48 10.267 10.614 -0.604 393 HG3 LYS 48 3HG LYS 48 10.605 9.214 -1.630 394 HD2 LYS 48 2HD LYS 48 12.519 9.562 -0.171 395 HD3 LYS 48 3HD LYS 48 12.996 9.974 -1.818 396 HE2 LYS 48 2HE LYS 48 12.593 12.379 -1.287 397 HE3 LYS 48 3HE LYS 48 12.234 11.923 0.380 398 HZ1 LYS 48 3HZ LYS 48 14.494 11.046 0.571 399 HZ2 LYS 48 1HZ LYS 48 14.514 12.680 0.151 400 HZ3 LYS 48 2HZ LYS 48 14.830 11.503 -1.017 401 H ASP 49 H ASP 49 9.554 10.429 -5.419 402 HA ASP 49 HA ASP 49 10.285 12.741 -6.851 403 HB2 ASP 49 2HB ASP 49 10.787 10.446 -7.657 404 HB3 ASP 49 3HB ASP 49 9.073 10.115 -7.865 405 H ASN 50 H ASN 50 7.224 11.003 -6.689 406 HA ASN 50 HA ASN 50 5.773 12.803 -8.415 407 HB2 ASN 50 2HB ASN 50 4.859 10.476 -6.663 408 HB3 ASN 50 3HB ASN 50 3.801 11.368 -7.744 409 HD21 ASN 50 1HD2 ASN 50 7.146 10.399 -8.557 410 HD22 ASN 50 2HD2 ASN 50 6.689 9.250 -9.754 411 H GLY 51 H GLY 51 5.990 12.134 -4.940 412 HA2 GLY 51 2HA GLY 51 5.338 13.321 -3.089 413 HA3 GLY 51 3HA GLY 51 5.090 14.716 -4.126 414 H LYS 52 H LYS 52 3.433 11.755 -4.848 415 HA LYS 52 HA LYS 52 0.836 13.058 -4.318 416 HB2 LYS 52 2HB LYS 52 -0.106 11.587 -5.966 417 HB3 LYS 52 3HB LYS 52 1.376 12.241 -6.649 418 HG2 LYS 52 2HG LYS 52 2.555 10.152 -6.278 419 HG3 LYS 52 3HG LYS 52 1.195 9.497 -5.362 420 HD2 LYS 52 2HD LYS 52 1.234 8.546 -7.626 421 HD3 LYS 52 3HD LYS 52 -0.211 9.534 -7.403 422 HE2 LYS 52 2HE LYS 52 0.804 11.358 -8.656 423 HE3 LYS 52 3HE LYS 52 2.320 10.468 -8.783 424 HZ1 LYS 52 3HZ LYS 52 -0.278 9.661 -9.995 425 HZ2 LYS 52 1HZ LYS 52 1.151 8.761 -10.079 426 HZ3 LYS 52 2HZ LYS 52 1.058 10.274 -10.823 427 HA PRO 53 HA PRO 53 -0.113 9.672 -1.395 428 HB2 PRO 53 2HB PRO 53 -2.974 9.689 -2.093 429 HB3 PRO 53 3HB PRO 53 -2.185 10.304 -0.626 430 HG2 PRO 53 2HG PRO 53 -3.348 11.944 -2.449 431 HG3 PRO 53 3HG PRO 53 -1.945 12.442 -1.477 432 HD2 PRO 53 2HD PRO 53 -2.001 11.404 -4.316 433 HD3 PRO 53 3HD PRO 53 -1.144 12.819 -3.645 434 H LEU 54 H LEU 54 0.468 7.612 -1.841 435 HA LEU 54 HA LEU 54 -0.912 6.105 -4.020 436 HB2 LEU 54 2HB LEU 54 1.914 5.827 -2.906 437 HB3 LEU 54 3HB LEU 54 1.170 4.564 -3.871 438 HG LEU 54 HG LEU 54 1.683 7.401 -4.865 439 HD11 LEU 54 1HD1 LEU 54 3.242 4.869 -5.508 440 HD12 LEU 54 2HD1 LEU 54 3.811 6.210 -4.512 441 HD13 LEU 54 3HD1 LEU 54 3.494 6.466 -6.224 442 HD21 LEU 54 3HD2 LEU 54 0.718 4.934 -6.336 443 HD22 LEU 54 1HD2 LEU 54 1.154 6.475 -7.088 444 HD23 LEU 54 2HD2 LEU 54 -0.214 6.391 -5.983 445 H VAL 55 H VAL 55 -1.206 3.775 -3.569 446 HA VAL 55 HA VAL 55 -1.452 3.076 -0.687 447 HB VAL 55 HB VAL 55 -3.398 2.248 -2.922 448 HG11 VAL 55 1HG1 VAL 55 -4.734 1.226 -1.113 449 HG12 VAL 55 2HG1 VAL 55 -3.472 1.627 0.055 450 HG13 VAL 55 3HG1 VAL 55 -3.141 0.481 -1.247 451 HG21 VAL 55 3HG2 VAL 55 -3.866 4.144 -0.587 452 HG22 VAL 55 1HG2 VAL 55 -5.086 3.613 -1.752 453 HG23 VAL 55 2HG2 VAL 55 -3.727 4.602 -2.286 454 H VAL 56 H VAL 56 0.063 1.544 -0.288 455 HA VAL 56 HA VAL 56 0.961 -0.275 -2.431 456 HB VAL 56 HB VAL 56 2.140 0.260 0.341 457 HG11 VAL 56 1HG1 VAL 56 3.257 -1.478 -1.901 458 HG12 VAL 56 2HG1 VAL 56 2.652 -2.047 -0.343 459 HG13 VAL 56 3HG1 VAL 56 4.103 -1.048 -0.410 460 HG21 VAL 56 3HG2 VAL 56 2.334 2.136 -1.232 461 HG22 VAL 56 1HG2 VAL 56 3.103 1.076 -2.415 462 HG23 VAL 56 2HG2 VAL 56 3.906 1.423 -0.883 463 H PHE 57 H PHE 57 -0.468 -1.924 -2.584 464 HA PHE 57 HA PHE 57 -1.263 -3.554 -0.330 465 HB2 PHE 57 2HB PHE 57 -1.411 -3.877 -3.356 466 HB3 PHE 57 3HB PHE 57 -1.923 -5.138 -2.256 467 HD1 PHE 57 HD1 PHE 57 -2.614 -1.608 -3.255 468 HD2 PHE 57 HD2 PHE 57 -4.111 -5.105 -1.308 469 HE1 PHE 57 HE1 PHE 57 -4.856 -0.600 -3.147 470 HE2 PHE 57 HE2 PHE 57 -6.345 -4.095 -1.207 471 HZ PHE 57 HZ PHE 57 -6.721 -1.840 -2.122 472 H VAL 58 H VAL 58 0.408 -4.569 0.733 473 HA VAL 58 HA VAL 58 2.592 -5.826 -0.778 474 HB VAL 58 HB VAL 58 3.588 -6.407 1.421 475 HG11 VAL 58 1HG1 VAL 58 4.190 -4.290 0.373 476 HG12 VAL 58 2HG1 VAL 58 4.188 -4.118 2.125 477 HG13 VAL 58 3HG1 VAL 58 2.845 -3.475 1.172 478 HG21 VAL 58 3HG2 VAL 58 2.690 -5.485 3.530 479 HG22 VAL 58 1HG2 VAL 58 1.583 -6.653 2.805 480 HG23 VAL 58 2HG2 VAL 58 1.251 -4.926 2.671 481 H ASN 59 H ASN 59 2.202 -7.751 -1.654 482 HA ASN 59 HA ASN 59 -0.022 -9.388 -0.843 483 HB2 ASN 59 2HB ASN 59 2.061 -9.792 -3.015 484 HB3 ASN 59 3HB ASN 59 0.757 -10.932 -2.703 485 HD21 ASN 59 1HD2 ASN 59 -0.321 -10.674 -4.612 486 HD22 ASN 59 2HD2 ASN 59 -1.080 -9.202 -5.103 487 H GLY 60 H GLY 60 0.524 -9.879 1.272 488 HA2 GLY 60 2HA GLY 60 1.305 -11.159 2.990 489 HA3 GLY 60 3HA GLY 60 1.629 -12.388 1.777 490 H ALA 61 H ALA 61 3.137 -9.199 1.850 491 HA ALA 61 HA ALA 61 5.758 -10.218 1.559 492 HB1 ALA 61 3HB ALA 61 4.943 -7.429 2.436 493 HB2 ALA 61 1HB ALA 61 5.128 -7.972 0.766 494 HB3 ALA 61 2HB ALA 61 6.531 -7.912 1.832 495 H SER 62 H SER 62 7.449 -10.427 3.021 496 HA SER 62 HA SER 62 6.683 -11.401 5.589 497 HB2 SER 62 2HB SER 62 8.545 -12.331 4.147 498 HB3 SER 62 3HB SER 62 9.502 -10.905 4.536 499 HG SER 62 HG SER 62 8.783 -13.084 6.126 500 H GLN 63 H GLN 63 7.822 -10.736 7.625 501 HA GLN 63 HA GLN 63 7.087 -8.140 8.329 502 HB2 GLN 63 2HB GLN 63 7.186 -9.955 9.968 503 HB3 GLN 63 3HB GLN 63 8.927 -10.099 9.769 504 HG2 GLN 63 2HG GLN 63 8.350 -8.967 11.870 505 HG3 GLN 63 3HG GLN 63 9.265 -7.907 10.801 506 HE21 GLN 63 1HE2 GLN 63 8.538 -6.073 11.860 507 HE22 GLN 63 2HE2 GLN 63 6.919 -5.490 11.715 508 H ASN 64 H ASN 64 10.293 -9.406 7.409 509 HA ASN 64 HA ASN 64 11.845 -7.100 7.930 510 HB2 ASN 64 2HB ASN 64 12.246 -9.333 5.893 511 HB3 ASN 64 3HB ASN 64 13.404 -8.020 6.106 512 HD21 ASN 64 1HD2 ASN 64 15.009 -9.506 6.730 513 HD22 ASN 64 2HD2 ASN 64 15.018 -10.244 8.293 514 H ASP 65 H ASP 65 9.947 -8.001 5.037 515 HA ASP 65 HA ASP 65 10.716 -5.815 3.374 516 HB2 ASP 65 2HB ASP 65 8.085 -7.366 3.321 517 HB3 ASP 65 3HB ASP 65 8.697 -6.341 2.022 518 H VAL 66 H VAL 66 8.111 -6.269 5.689 519 HA VAL 66 HA VAL 66 6.759 -3.800 5.351 520 HB VAL 66 HB VAL 66 6.893 -5.590 7.834 521 HG11 VAL 66 1HG1 VAL 66 4.910 -3.390 7.137 522 HG12 VAL 66 2HG1 VAL 66 6.126 -3.333 8.414 523 HG13 VAL 66 3HG1 VAL 66 4.789 -4.477 8.523 524 HG21 VAL 66 3HG2 VAL 66 4.751 -6.534 7.037 525 HG22 VAL 66 1HG2 VAL 66 6.041 -6.792 5.860 526 HG23 VAL 66 2HG2 VAL 66 4.839 -5.529 5.587 527 H ASN 67 H ASN 67 9.364 -4.848 7.530 528 HA ASN 67 HA ASN 67 9.675 -2.512 9.066 529 HB2 ASN 67 2HB ASN 67 11.732 -4.656 8.328 530 HB3 ASN 67 3HB ASN 67 12.060 -3.365 9.481 531 HD21 ASN 67 1HD2 ASN 67 12.039 -6.241 9.846 532 HD22 ASN 67 2HD2 ASN 67 10.909 -6.569 11.108 533 H GLU 68 H GLU 68 11.255 -3.561 6.087 534 HA GLU 68 HA GLU 68 12.961 -1.365 5.677 535 HB2 GLU 68 2HB GLU 68 11.719 -3.356 3.738 536 HB3 GLU 68 3HB GLU 68 12.898 -2.149 3.231 537 HG2 GLU 68 2HG GLU 68 13.383 -4.304 5.307 538 HG3 GLU 68 3HG GLU 68 13.912 -4.360 3.628 539 H PHE 69 H PHE 69 9.599 -1.903 4.736 540 HA PHE 69 HA PHE 69 9.297 0.368 3.076 541 HB2 PHE 69 2HB PHE 69 7.660 -1.548 3.168 542 HB3 PHE 69 3HB PHE 69 7.116 -0.978 4.742 543 HD1 PHE 69 HD2 PHE 69 7.226 -0.201 1.128 544 HD2 PHE 69 HD1 PHE 69 5.637 0.958 4.918 545 HE1 PHE 69 HE2 PHE 69 5.656 1.313 0.008 546 HE2 PHE 69 HE1 PHE 69 4.070 2.482 3.792 547 HZ PHE 69 HZ PHE 69 4.080 2.656 1.334 548 H GLN 70 H GLN 70 8.746 -0.161 6.521 549 HA GLN 70 HA GLN 70 7.708 2.433 7.108 550 HB2 GLN 70 2HB GLN 70 8.882 0.328 8.976 551 HB3 GLN 70 3HB GLN 70 7.963 1.744 9.488 552 HG2 GLN 70 2HG GLN 70 5.968 0.905 8.346 553 HG3 GLN 70 3HG GLN 70 6.881 -0.476 7.731 554 HE21 GLN 70 1HE2 GLN 70 7.537 -2.111 9.202 555 HE22 GLN 70 2HE2 GLN 70 6.771 -2.297 10.738 556 H ASN 71 H ASN 71 10.947 0.999 7.190 557 HA ASN 71 HA ASN 71 12.281 3.068 8.642 558 HB2 ASN 71 2HB ASN 71 13.379 0.924 6.755 559 HB3 ASN 71 3HB ASN 71 14.409 2.019 7.672 560 HD21 ASN 71 1HD2 ASN 71 14.187 -0.893 7.733 561 HD22 ASN 71 2HD2 ASN 71 13.874 -1.308 9.381 562 H GLU 72 H GLU 72 12.269 2.216 5.178 563 HA GLU 72 HA GLU 72 13.682 4.468 4.262 564 HB2 GLU 72 2HB GLU 72 11.766 2.624 2.801 565 HB3 GLU 72 3HB GLU 72 12.723 3.861 1.997 566 HG2 GLU 72 2HG GLU 72 13.861 1.554 3.580 567 HG3 GLU 72 3HG GLU 72 13.669 1.567 1.827 568 H ALA 73 H ALA 73 10.223 3.982 4.845 569 HA ALA 73 HA ALA 73 9.381 6.363 3.523 570 HB1 ALA 73 3HB ALA 73 7.824 4.534 3.984 571 HB2 ALA 73 1HB ALA 73 7.244 6.048 4.681 572 HB3 ALA 73 2HB ALA 73 7.975 4.818 5.719 573 H LYS 74 H LYS 74 10.023 5.634 6.987 574 HA LYS 74 HA LYS 74 9.188 8.196 7.919 575 HB2 LYS 74 2HB LYS 74 9.966 7.536 10.117 576 HB3 LYS 74 3HB LYS 74 9.173 6.165 9.362 577 HG2 LYS 74 2HG LYS 74 11.417 5.229 8.798 578 HG3 LYS 74 3HG LYS 74 12.163 6.563 9.670 579 HD2 LYS 74 2HD LYS 74 10.283 4.526 10.942 580 HD3 LYS 74 3HD LYS 74 12.041 4.401 10.954 581 HE2 LYS 74 2HE LYS 74 11.442 5.293 13.062 582 HE3 LYS 74 3HE LYS 74 12.078 6.654 12.140 583 HZ1 LYS 74 3HZ LYS 74 10.079 7.239 13.375 584 HZ2 LYS 74 1HZ LYS 74 9.192 6.053 12.570 585 HZ3 LYS 74 2HZ LYS 74 9.802 7.380 11.722 586 H LYS 75 H LYS 75 12.346 6.940 6.983 587 HA LYS 75 HA LYS 75 13.898 9.101 8.088 588 HB2 LYS 75 2HB LYS 75 15.810 8.115 6.940 589 HB3 LYS 75 3HB LYS 75 14.860 6.840 7.692 590 HG2 LYS 75 2HG LYS 75 13.833 6.333 5.495 591 HG3 LYS 75 3HG LYS 75 14.839 7.576 4.756 592 HD2 LYS 75 2HD LYS 75 15.868 5.064 6.128 593 HD3 LYS 75 3HD LYS 75 15.728 5.296 4.387 594 HE2 LYS 75 2HE LYS 75 17.351 7.209 4.578 595 HE3 LYS 75 3HE LYS 75 17.559 6.794 6.284 596 HZ1 LYS 75 3HZ LYS 75 18.335 4.592 5.613 597 HZ2 LYS 75 1HZ LYS 75 19.297 5.798 4.920 598 HZ3 LYS 75 2HZ LYS 75 18.146 4.990 3.985 599 H GLU 76 H GLU 76 12.497 8.419 4.914 600 HA GLU 76 HA GLU 76 13.729 10.711 3.606 601 HB2 GLU 76 2HB GLU 76 11.594 8.780 2.606 602 HB3 GLU 76 3HB GLU 76 12.450 9.960 1.629 603 HG2 GLU 76 2HG GLU 76 13.671 7.542 2.984 604 HG3 GLU 76 3HG GLU 76 13.334 7.714 1.266 605 H GLY 77 H GLY 77 10.997 10.215 5.545 606 HA2 GLY 77 2HA GLY 77 9.635 11.907 6.398 607 HA3 GLY 77 3HA GLY 77 10.033 12.936 5.032 608 H VAL 78 H VAL 78 9.182 9.809 4.040 609 HA VAL 78 HA VAL 78 6.661 10.588 2.910 610 HB VAL 78 HB VAL 78 7.906 7.796 3.121 611 HG11 VAL 78 1HG1 VAL 78 6.425 7.190 1.243 612 HG12 VAL 78 2HG1 VAL 78 5.683 8.791 1.304 613 HG13 VAL 78 3HG1 VAL 78 5.503 7.681 2.666 614 HG21 VAL 78 3HG2 VAL 78 9.401 9.344 1.951 615 HG22 VAL 78 1HG2 VAL 78 8.096 9.826 0.863 616 HG23 VAL 78 2HG2 VAL 78 8.723 8.175 0.817 617 H SER 79 H SER 79 4.871 10.782 4.104 618 HA SER 79 HA SER 79 4.476 9.703 6.718 619 HB2 SER 79 2HB SER 79 3.530 11.866 6.097 620 HB3 SER 79 3HB SER 79 2.596 11.134 4.798 621 HG SER 79 HG SER 79 2.277 10.459 7.540 622 H TYR 80 H TYR 80 4.500 7.471 6.643 623 HA TYR 80 HA TYR 80 2.695 6.031 4.827 624 HB2 TYR 80 2HB TYR 80 3.871 4.010 5.516 625 HB3 TYR 80 3HB TYR 80 5.044 5.240 5.079 626 HD1 TYR 80 HD2 TYR 80 6.264 6.509 6.962 627 HD2 TYR 80 HD1 TYR 80 3.944 3.001 7.711 628 HE1 TYR 80 HE2 TYR 80 7.400 6.217 9.109 629 HE2 TYR 80 HE1 TYR 80 5.098 2.713 9.860 630 HH TYR 80 HH TYR 80 7.233 3.378 10.917 631 H ASP 81 H ASP 81 0.952 4.833 5.508 632 HA ASP 81 HA ASP 81 0.170 4.923 8.381 633 HB2 ASP 81 2HB ASP 81 -1.689 4.669 5.953 634 HB3 ASP 81 3HB ASP 81 -2.178 4.813 7.640 635 H VAL 82 H VAL 82 0.221 2.928 9.311 636 HA VAL 82 HA VAL 82 0.533 0.575 7.580 637 HB VAL 82 HB VAL 82 0.853 0.692 10.634 638 HG11 VAL 82 1HG1 VAL 82 1.973 -1.499 10.365 639 HG12 VAL 82 2HG1 VAL 82 1.675 -1.453 8.626 640 HG13 VAL 82 3HG1 VAL 82 0.318 -1.569 9.751 641 HG21 VAL 82 3HG2 VAL 82 2.995 0.780 8.462 642 HG22 VAL 82 1HG2 VAL 82 3.296 0.709 10.203 643 HG23 VAL 82 2HG2 VAL 82 2.522 2.128 9.495 644 H LEU 83 H LEU 83 -1.112 -0.687 7.121 645 HA LEU 83 HA LEU 83 -3.529 -0.790 8.844 646 HB2 LEU 83 2HB LEU 83 -3.930 0.543 6.772 647 HB3 LEU 83 3HB LEU 83 -3.334 -0.782 5.791 648 HG LEU 83 HG LEU 83 -5.282 -2.173 6.614 649 HD11 LEU 83 1HD1 LEU 83 -5.812 -0.972 8.673 650 HD12 LEU 83 2HD1 LEU 83 -7.213 -1.058 7.609 651 HD13 LEU 83 3HD1 LEU 83 -6.302 0.447 7.739 652 HD21 LEU 83 3HD2 LEU 83 -5.313 -1.116 4.400 653 HD22 LEU 83 1HD2 LEU 83 -5.986 0.363 5.095 654 HD23 LEU 83 2HD2 LEU 83 -6.924 -1.133 5.110 655 H LYS 84 H LYS 84 -4.084 -2.830 9.415 656 HA LYS 84 HA LYS 84 -3.196 -5.141 7.776 657 HB2 LYS 84 2HB LYS 84 -3.151 -4.857 10.814 658 HB3 LYS 84 3HB LYS 84 -3.283 -6.438 10.054 659 HG2 LYS 84 2HG LYS 84 -1.007 -6.232 10.523 660 HG3 LYS 84 3HG LYS 84 -1.122 -5.855 8.808 661 HD2 LYS 84 2HD LYS 84 0.381 -4.270 9.659 662 HD3 LYS 84 3HD LYS 84 -1.131 -3.379 9.527 663 HE2 LYS 84 2HE LYS 84 -0.017 -4.584 12.087 664 HE3 LYS 84 3HE LYS 84 0.108 -2.893 11.614 665 HZ1 LYS 84 3HZ LYS 84 -2.367 -4.375 12.305 666 HZ2 LYS 84 1HZ LYS 84 -2.357 -2.822 11.633 667 HZ3 LYS 84 2HZ LYS 84 -1.658 -3.091 13.143 668 H SER 85 H SER 85 -5.015 -5.830 6.806 669 HA SER 85 HA SER 85 -7.436 -6.421 8.329 670 HB2 SER 85 2HB SER 85 -7.498 -4.417 6.027 671 HB3 SER 85 3HB SER 85 -8.924 -5.059 6.838 672 HG SER 85 HG SER 85 -8.576 -3.760 8.467 673 H THR 86 H THR 86 -8.391 -8.229 7.502 674 HA THR 86 HA THR 86 -7.547 -9.221 4.846 675 HB THR 86 HB THR 86 -8.393 -11.460 5.734 676 HG1 THR 86 HG1 THR 86 -9.420 -11.400 7.565 677 HG21 THR 86 3HG2 THR 86 -6.131 -10.167 7.302 678 HG22 THR 86 1HG2 THR 86 -5.978 -10.954 5.728 679 HG23 THR 86 2HG2 THR 86 -6.424 -11.899 7.148 680 H ASP 87 H ASP 87 -10.218 -7.803 6.401 681 HA ASP 87 HA ASP 87 -12.365 -9.019 4.939 682 HB2 ASP 87 2HB ASP 87 -12.148 -6.410 6.503 683 HB3 ASP 87 3HB ASP 87 -13.586 -6.768 5.556 684 HA PRO 88 HA PRO 88 -11.312 -6.936 1.014 685 HB2 PRO 88 2HB PRO 88 -13.583 -7.732 -0.401 686 HB3 PRO 88 3HB PRO 88 -12.154 -8.762 -0.162 687 HG2 PRO 88 2HG PRO 88 -14.728 -8.742 1.374 688 HG3 PRO 88 3HG PRO 88 -13.777 -10.125 0.784 689 HD2 PRO 88 2HD PRO 88 -13.645 -9.357 3.355 690 HD3 PRO 88 3HD PRO 88 -12.206 -9.959 2.504 691 H GLU 89 H GLU 89 -14.604 -6.745 2.397 692 HA GLU 89 HA GLU 89 -15.454 -4.405 1.085 693 HB2 GLU 89 2HB GLU 89 -17.238 -4.293 2.789 694 HB3 GLU 89 3HB GLU 89 -17.014 -5.939 2.204 695 HG2 GLU 89 2HG GLU 89 -15.704 -6.468 4.254 696 HG3 GLU 89 3HG GLU 89 -15.988 -4.829 4.831 697 H GLU 90 H GLU 90 -13.721 -4.860 4.129 698 HA GLU 90 HA GLU 90 -13.763 -2.163 5.002 699 HB2 GLU 90 2HB GLU 90 -13.278 -4.085 6.539 700 HB3 GLU 90 3HB GLU 90 -11.739 -4.327 5.715 701 HG2 GLU 90 2HG GLU 90 -11.097 -1.983 6.370 702 HG3 GLU 90 3HG GLU 90 -12.571 -1.898 7.336 703 H LEU 91 H LEU 91 -11.278 -4.129 3.333 704 HA LEU 91 HA LEU 91 -9.324 -2.144 3.080 705 HB2 LEU 91 2HB LEU 91 -9.902 -4.571 1.346 706 HB3 LEU 91 3HB LEU 91 -8.522 -3.524 1.057 707 HG LEU 91 HG LEU 91 -8.997 -5.193 3.561 708 HD11 LEU 91 1HD1 LEU 91 -8.331 -6.524 1.597 709 HD12 LEU 91 2HD1 LEU 91 -7.055 -6.490 2.809 710 HD13 LEU 91 3HD1 LEU 91 -6.918 -5.490 1.359 711 HD21 LEU 91 3HD2 LEU 91 -6.745 -4.453 4.257 712 HD22 LEU 91 1HD2 LEU 91 -7.879 -3.107 4.158 713 HD23 LEU 91 2HD2 LEU 91 -6.684 -3.345 2.882 714 H THR 92 H THR 92 -12.079 -2.877 0.997 715 HA THR 92 HA THR 92 -11.429 -1.209 -1.191 716 HB THR 92 HB THR 92 -14.189 -2.124 -0.259 717 HG1 THR 92 HG1 THR 92 -12.346 -3.686 -0.880 718 HG21 THR 92 3HG2 THR 92 -14.347 -0.309 -1.943 719 HG22 THR 92 1HG2 THR 92 -14.868 -1.854 -2.620 720 HG23 THR 92 2HG2 THR 92 -13.273 -1.211 -3.016 721 H GLN 93 H GLN 93 -13.366 -0.602 1.776 722 HA GLN 93 HA GLN 93 -13.837 2.141 1.036 723 HB2 GLN 93 2HB GLN 93 -14.934 2.436 3.165 724 HB3 GLN 93 3HB GLN 93 -15.473 0.960 2.396 725 HG2 GLN 93 2HG GLN 93 -15.346 0.468 4.676 726 HG3 GLN 93 3HG GLN 93 -13.932 -0.293 3.963 727 HE21 GLN 93 1HE2 GLN 93 -14.180 3.158 4.725 728 HE22 GLN 93 2HE2 GLN 93 -12.995 3.130 5.981 729 H ARG 94 H ARG 94 -11.300 0.530 2.926 730 HA ARG 94 HA ARG 94 -10.212 2.790 4.252 731 HB2 ARG 94 2HB ARG 94 -8.842 0.243 3.272 732 HB3 ARG 94 3HB ARG 94 -8.037 1.439 4.276 733 HG2 ARG 94 2HG ARG 94 -10.502 -0.110 5.112 734 HG3 ARG 94 3HG ARG 94 -8.849 -0.571 5.508 735 HD2 ARG 94 2HD ARG 94 -8.591 1.622 6.705 736 HD3 ARG 94 3HD ARG 94 -10.305 1.938 6.398 737 HE ARG 94 HE ARG 94 -10.092 -0.564 7.641 738 HH11 ARG 94 1HH1 ARG 94 -9.570 2.826 8.462 739 HH12 ARG 94 2HH1 ARG 94 -9.903 2.584 10.151 740 HH21 ARG 94 1HH2 ARG 94 -10.568 -0.858 9.836 741 HH22 ARG 94 2HH2 ARG 94 -10.473 0.493 10.933 742 H VAL 95 H VAL 95 -9.429 1.286 1.156 743 HA VAL 95 HA VAL 95 -7.327 2.960 0.348 744 HB VAL 95 HB VAL 95 -9.271 1.268 -1.290 745 HG11 VAL 95 1HG1 VAL 95 -6.681 2.549 -2.240 746 HG12 VAL 95 2HG1 VAL 95 -8.312 2.947 -2.785 747 HG13 VAL 95 3HG1 VAL 95 -7.629 1.362 -3.144 748 HG21 VAL 95 3HG2 VAL 95 -7.467 -0.389 -1.344 749 HG22 VAL 95 1HG2 VAL 95 -7.876 0.011 0.324 750 HG23 VAL 95 2HG2 VAL 95 -6.418 0.681 -0.410 751 H ARG 96 H ARG 96 -10.848 3.150 -0.361 752 HA ARG 96 HA ARG 96 -10.605 5.418 -2.076 753 HB2 ARG 96 2HB ARG 96 -12.988 5.541 -2.112 754 HB3 ARG 96 3HB ARG 96 -12.545 3.840 -2.131 755 HG2 ARG 96 2HG ARG 96 -13.179 3.591 0.192 756 HG3 ARG 96 3HG ARG 96 -13.440 5.327 0.355 757 HD2 ARG 96 2HD ARG 96 -15.581 4.243 0.172 758 HD3 ARG 96 3HD ARG 96 -15.291 5.160 -1.305 759 HE ARG 96 HE ARG 96 -14.709 3.029 -2.384 760 HH11 ARG 96 1HH1 ARG 96 -16.708 2.934 0.531 761 HH12 ARG 96 2HH1 ARG 96 -17.436 1.407 0.129 762 HH21 ARG 96 1HH2 ARG 96 -15.698 1.030 -2.899 763 HH22 ARG 96 2HH2 ARG 96 -16.861 0.330 -1.814 764 H GLU 97 H GLU 97 -11.213 5.086 1.406 765 HA GLU 97 HA GLU 97 -11.889 7.768 1.975 766 HB2 GLU 97 2HB GLU 97 -10.559 5.652 3.719 767 HB3 GLU 97 3HB GLU 97 -10.959 7.250 4.329 768 HG2 GLU 97 2HG GLU 97 -12.919 5.195 3.275 769 HG3 GLU 97 3HG GLU 97 -12.659 5.621 4.963 770 H PHE 98 H PHE 98 -8.783 6.098 1.902 771 HA PHE 98 HA PHE 98 -7.101 8.261 2.560 772 HB2 PHE 98 2HB PHE 98 -6.363 5.890 2.638 773 HB3 PHE 98 3HB PHE 98 -6.496 5.774 0.886 774 HD1 PHE 98 HD1 PHE 98 -4.623 7.408 3.651 775 HD2 PHE 98 HD2 PHE 98 -4.689 6.520 -0.526 776 HE1 PHE 98 HE1 PHE 98 -2.309 8.195 3.444 777 HE2 PHE 98 HE2 PHE 98 -2.370 7.308 -0.725 778 HZ PHE 98 HZ PHE 98 -1.186 8.150 1.258 779 H LEU 99 H LEU 99 -8.088 6.959 -0.605 780 HA LEU 99 HA LEU 99 -6.548 8.716 -2.219 781 HB2 LEU 99 2HB LEU 99 -8.993 7.030 -2.881 782 HB3 LEU 99 3HB LEU 99 -8.041 7.879 -4.089 783 HG LEU 99 HG LEU 99 -7.072 5.586 -2.331 784 HD11 LEU 99 1HD1 LEU 99 -8.600 4.851 -4.096 785 HD12 LEU 99 2HD1 LEU 99 -6.961 4.300 -4.421 786 HD13 LEU 99 3HD1 LEU 99 -7.620 5.669 -5.315 787 HD21 LEU 99 3HD2 LEU 99 -4.986 5.648 -3.631 788 HD22 LEU 99 1HD2 LEU 99 -5.230 7.148 -2.736 789 HD23 LEU 99 2HD2 LEU 99 -5.541 7.098 -4.472 790 H LYS 100 H LYS 100 -9.650 9.092 -0.689 791 HA LYS 100 HA LYS 100 -10.456 11.367 -2.335 792 HB2 LYS 100 2HB LYS 100 -12.144 9.753 -1.527 793 HB3 LYS 100 3HB LYS 100 -11.744 10.141 0.139 794 HG2 LYS 100 2HG LYS 100 -12.647 12.390 -0.106 795 HG3 LYS 100 3HG LYS 100 -12.884 12.149 -1.837 796 HD2 LYS 100 2HD LYS 100 -15.036 11.930 -0.764 797 HD3 LYS 100 3HD LYS 100 -14.551 10.326 -1.303 798 HE2 LYS 100 2HE LYS 100 -14.247 11.331 1.548 799 HE3 LYS 100 3HE LYS 100 -15.625 10.403 0.970 800 HZ1 LYS 100 3HZ LYS 100 -14.131 8.938 2.040 801 HZ2 LYS 100 1HZ LYS 100 -12.811 9.476 1.137 802 HZ3 LYS 100 2HZ LYS 100 -14.052 8.602 0.391 803 H THR 101 H THR 101 -9.256 10.805 1.006 804 HA THR 101 HA THR 101 -9.648 13.571 1.779 805 HB THR 101 HB THR 101 -9.904 11.775 3.479 806 HG1 THR 101 HG1 THR 101 -9.134 14.039 3.960 807 HG21 THR 101 3HG2 THR 101 -6.882 11.460 3.337 808 HG22 THR 101 1HG2 THR 101 -8.070 10.257 2.836 809 HG23 THR 101 2HG2 THR 101 -7.946 10.715 4.534 810 H ALA 102 H ALA 102 -6.849 11.520 1.040 811 HA ALA 102 HA ALA 102 -4.937 13.682 1.334 812 HB1 ALA 102 3HB ALA 102 -4.346 11.406 2.033 813 HB2 ALA 102 1HB ALA 102 -3.280 11.950 0.739 814 HB3 ALA 102 2HB ALA 102 -4.584 10.810 0.389 815 H GLY 103 H GLY 103 -6.222 11.642 -1.309 816 HA2 GLY 103 2HA GLY 103 -5.130 13.422 -3.380 817 HA3 GLY 103 3HA GLY 103 -6.006 11.916 -3.631 818 H SER 104 H SER 104 -6.572 15.122 -2.169 819 HA SER 104 HA SER 104 -9.390 15.000 -2.378 820 HB2 SER 104 2HB SER 104 -8.132 16.419 -0.742 821 HB3 SER 104 3HB SER 104 -7.642 17.468 -2.069 822 HG SER 104 HG SER 104 -10.089 17.228 -0.791 823 H LEU 105 H LEU 105 -10.761 15.556 -3.977 824 HA LEU 105 HA LEU 105 -9.669 16.073 -6.626 825 HB2 LEU 105 2HB LEU 105 -12.431 15.293 -5.647 826 HB3 LEU 105 3HB LEU 105 -12.068 15.590 -7.342 827 HG LEU 105 HG LEU 105 -10.694 13.456 -5.652 828 HD11 LEU 105 1HD1 LEU 105 -13.071 12.905 -5.941 829 HD12 LEU 105 2HD1 LEU 105 -12.042 11.806 -6.851 830 HD13 LEU 105 3HD1 LEU 105 -12.917 13.088 -7.692 831 HD21 LEU 105 3HD2 LEU 105 -10.597 13.979 -8.645 832 HD22 LEU 105 1HD2 LEU 105 -9.842 12.618 -7.807 833 HD23 LEU 105 2HD2 LEU 105 -9.292 14.260 -7.489 834 H GLU 106 H GLU 106 -9.003 18.218 -6.126 835 HA GLU 106 HA GLU 106 -10.965 20.301 -5.652 836 HB2 GLU 106 2HB GLU 106 -8.582 20.215 -4.701 837 HB3 GLU 106 3HB GLU 106 -7.999 20.621 -6.304 838 HG2 GLU 106 2HG GLU 106 -9.896 22.367 -4.709 839 HG3 GLU 106 3HG GLU 106 -8.148 22.539 -4.665 840 H HIS 107 H HIS 107 -8.860 19.227 -8.333 841 HA HIS 107 HA HIS 107 -9.380 21.412 -10.053 842 HB2 HIS 107 2HB HIS 107 -8.285 18.635 -10.628 843 HB3 HIS 107 3HB HIS 107 -8.358 19.917 -11.838 844 HD1 HIS 107 HD1 HIS 107 -6.716 21.928 -11.545 845 HD2 HIS 107 HD2 HIS 107 -6.268 18.942 -8.687 846 HE1 HIS 107 HE1 HIS 107 -4.552 22.434 -10.374 847 HE2 HIS 107 HE2 HIS 107 -4.321 20.641 -8.626 848 H HIS 108 H HIS 108 -10.910 21.773 -11.517 849 HA HIS 108 HA HIS 108 -13.420 20.436 -10.951 850 HB2 HIS 108 2HB HIS 108 -12.861 22.956 -12.598 851 HB3 HIS 108 3HB HIS 108 -14.433 22.420 -12.004 852 HD1 HIS 108 HD1 HIS 108 -15.128 23.404 -9.813 853 HD2 HIS 108 HD2 HIS 108 -11.008 23.583 -10.330 854 HE1 HIS 108 HE1 HIS 108 -14.252 24.684 -7.839 855 HE2 HIS 108 HE2 HIS 108 -11.746 24.546 -8.052 856 H HIS 109 H HIS 109 -13.990 18.737 -12.171 857 HA HIS 109 HA HIS 109 -12.995 18.358 -14.863 858 HB2 HIS 109 2HB HIS 109 -14.066 16.153 -14.778 859 HB3 HIS 109 3HB HIS 109 -13.102 16.430 -13.338 860 HD1 HIS 109 HD1 HIS 109 -14.468 16.769 -11.077 861 HD2 HIS 109 HD2 HIS 109 -16.718 15.533 -14.347 862 HE1 HIS 109 HE1 HIS 109 -16.638 15.931 -10.122 863 HE2 HIS 109 HE2 HIS 109 -18.039 15.364 -12.132 864 H HIS 110 H HIS 110 -13.866 19.835 -16.206 865 HA HIS 110 HA HIS 110 -16.578 20.780 -16.074 866 HB2 HIS 110 2HB HIS 110 -14.786 22.282 -16.795 867 HB3 HIS 110 3HB HIS 110 -14.369 21.222 -18.135 868 HD1 HIS 110 HD1 HIS 110 -17.314 23.385 -17.003 869 HD2 HIS 110 HD2 HIS 110 -15.594 21.884 -20.481 870 HE1 HIS 110 HE1 HIS 110 -18.633 24.378 -18.896 871 HE2 HIS 110 HE2 HIS 110 -17.606 23.418 -20.984 872 H HIS 111 H HIS 111 -14.975 18.254 -17.868 873 HA HIS 111 HA HIS 111 -17.475 17.557 -19.257 874 HB2 HIS 111 2HB HIS 111 -16.163 18.882 -20.885 875 HB3 HIS 111 3HB HIS 111 -14.762 17.841 -20.645 876 HD1 HIS 111 HD1 HIS 111 -18.288 17.707 -22.067 877 HD2 HIS 111 HD2 HIS 111 -14.705 15.610 -22.279 878 HE1 HIS 111 HE1 HIS 111 -18.616 15.994 -23.869 879 HE2 HIS 111 HE2 HIS 111 -16.521 14.603 -23.820 880 H HIS 112 H HIS 112 -14.075 16.441 -19.140 881 HA HIS 112 HA HIS 112 -14.717 13.688 -19.349 882 HB2 HIS 112 2HB HIS 112 -12.565 14.518 -20.153 883 HB3 HIS 112 3HB HIS 112 -12.112 15.060 -18.543 884 HD1 HIS 112 HD1 HIS 112 -12.633 11.841 -20.512 885 HD2 HIS 112 HD2 HIS 112 -10.833 13.142 -16.995 886 HE1 HIS 112 HE1 HIS 112 -11.335 9.871 -19.646 887 HE2 HIS 112 HE2 HIS 112 -10.119 10.741 -17.632 Start of MODEL 4 1 H1 MET 1 1H MET 1 4.229 17.016 2.815 2 H2 MET 1 2H MET 1 5.352 15.781 3.088 3 H3 MET 1 3H MET 1 3.702 15.467 3.249 4 HA MET 1 HA MET 1 3.345 15.821 0.927 5 HB2 MET 1 2HB MET 1 6.362 16.274 0.844 6 HB3 MET 1 3HB MET 1 5.354 16.069 -0.585 7 HG2 MET 1 2HG MET 1 5.147 18.339 1.407 8 HG3 MET 1 3HG MET 1 5.891 18.423 -0.193 9 HE1 MET 1 3HE MET 1 2.646 20.547 -0.781 10 HE2 MET 1 1HE MET 1 4.399 20.491 -0.950 11 HE3 MET 1 2HE MET 1 3.669 20.543 0.655 12 H GLY 2 H GLY 2 3.226 13.955 -0.299 13 HA2 GLY 2 2HA GLY 2 3.510 11.764 -0.910 14 HA3 GLY 2 3HA GLY 2 5.056 11.753 -0.077 15 H LYS 3 H LYS 3 1.579 11.279 0.285 16 HA LYS 3 HA LYS 3 2.038 9.844 2.845 17 HB2 LYS 3 2HB LYS 3 0.505 11.924 2.874 18 HB3 LYS 3 3HB LYS 3 -0.630 10.999 1.899 19 HG2 LYS 3 2HG LYS 3 -0.940 9.378 3.685 20 HG3 LYS 3 3HG LYS 3 0.340 10.123 4.648 21 HD2 LYS 3 2HD LYS 3 -1.047 12.231 4.764 22 HD3 LYS 3 3HD LYS 3 -2.344 11.383 3.919 23 HE2 LYS 3 2HE LYS 3 -1.200 10.583 6.618 24 HE3 LYS 3 3HE LYS 3 -2.706 11.466 6.368 25 HZ1 LYS 3 3HZ LYS 3 -2.149 8.751 5.319 26 HZ2 LYS 3 1HZ LYS 3 -3.618 9.579 5.231 27 HZ3 LYS 3 2HZ LYS 3 -3.021 9.070 6.730 28 H VAL 4 H VAL 4 1.323 7.698 2.932 29 HA VAL 4 HA VAL 4 0.068 6.552 0.524 30 HB VAL 4 HB VAL 4 2.498 6.455 0.154 31 HG11 VAL 4 1HG1 VAL 4 2.679 4.736 2.622 32 HG12 VAL 4 2HG1 VAL 4 3.293 6.386 2.460 33 HG13 VAL 4 3HG1 VAL 4 3.992 5.084 1.493 34 HG21 VAL 4 3HG2 VAL 4 2.690 4.066 -0.398 35 HG22 VAL 4 1HG2 VAL 4 1.092 4.690 -0.805 36 HG23 VAL 4 2HG2 VAL 4 1.311 3.710 0.645 37 H LEU 5 H LEU 5 -1.114 4.733 0.856 38 HA LEU 5 HA LEU 5 -1.520 3.810 3.633 39 HB2 LEU 5 2HB LEU 5 -3.506 4.603 2.360 40 HB3 LEU 5 3HB LEU 5 -3.208 3.378 1.133 41 HG LEU 5 HG LEU 5 -3.611 1.594 2.844 42 HD11 LEU 5 1HD1 LEU 5 -4.319 3.887 4.690 43 HD12 LEU 5 2HD1 LEU 5 -2.987 2.738 4.875 44 HD13 LEU 5 3HD1 LEU 5 -4.653 2.182 5.007 45 HD21 LEU 5 3HD2 LEU 5 -6.050 1.842 2.962 46 HD22 LEU 5 1HD2 LEU 5 -5.441 2.309 1.375 47 HD23 LEU 5 2HD2 LEU 5 -5.914 3.549 2.536 48 H LEU 6 H LEU 6 0.006 2.301 3.985 49 HA LEU 6 HA LEU 6 0.767 0.213 2.155 50 HB2 LEU 6 2HB LEU 6 2.306 1.091 3.892 51 HB3 LEU 6 3HB LEU 6 1.216 0.548 5.157 52 HG LEU 6 HG LEU 6 1.638 -1.827 4.435 53 HD11 LEU 6 1HD1 LEU 6 3.721 -0.609 2.613 54 HD12 LEU 6 2HD1 LEU 6 2.258 -1.466 2.121 55 HD13 LEU 6 3HD1 LEU 6 3.538 -2.329 2.968 56 HD21 LEU 6 3HD2 LEU 6 2.859 -0.880 6.331 57 HD22 LEU 6 1HD2 LEU 6 4.106 -0.255 5.249 58 HD23 LEU 6 2HD2 LEU 6 3.887 -1.997 5.436 59 H VAL 7 H VAL 7 -1.149 -0.832 1.588 60 HA VAL 7 HA VAL 7 -2.942 -2.073 3.487 61 HB VAL 7 HB VAL 7 -2.661 -2.449 0.457 62 HG11 VAL 7 1HG1 VAL 7 -4.865 -3.414 2.312 63 HG12 VAL 7 2HG1 VAL 7 -3.725 -4.420 1.419 64 HG13 VAL 7 3HG1 VAL 7 -4.926 -3.468 0.550 65 HG21 VAL 7 3HG2 VAL 7 -4.644 -0.994 0.285 66 HG22 VAL 7 1HG2 VAL 7 -3.303 -0.156 1.069 67 HG23 VAL 7 2HG2 VAL 7 -4.645 -0.768 2.035 68 H ILE 8 H ILE 8 -2.199 -3.749 4.666 69 HA ILE 8 HA ILE 8 -0.493 -5.823 3.423 70 HB ILE 8 HB ILE 8 -0.827 -5.315 6.422 71 HG12 ILE 8 2HG1 ILE 8 1.466 -4.381 4.629 72 HG13 ILE 8 3HG1 ILE 8 0.233 -3.334 5.323 73 HG21 ILE 8 1HG2 ILE 8 -0.122 -7.611 5.817 74 HG22 ILE 8 2HG2 ILE 8 1.189 -6.754 6.625 75 HG23 ILE 8 3HG2 ILE 8 1.224 -6.965 4.873 76 HD11 ILE 8 3HD1 ILE 8 2.306 -3.218 6.551 77 HD12 ILE 8 1HD1 ILE 8 2.241 -4.948 6.875 78 HD13 ILE 8 2HD1 ILE 8 1.015 -3.872 7.557 79 H SER 9 H SER 9 -1.608 -7.573 2.928 80 HA SER 9 HA SER 9 -3.417 -8.781 4.914 81 HB2 SER 9 2HB SER 9 -4.923 -7.868 3.210 82 HB3 SER 9 3HB SER 9 -3.950 -8.560 1.917 83 HG SER 9 HG SER 9 -5.383 -10.107 2.106 84 H THR 10 H THR 10 -3.037 -10.922 5.179 85 HA THR 10 HA THR 10 -0.744 -12.163 3.918 86 HB THR 10 HB THR 10 -2.758 -13.424 5.847 87 HG1 THR 10 HG1 THR 10 -0.907 -11.417 6.248 88 HG21 THR 10 3HG2 THR 10 -0.887 -14.843 6.554 89 HG22 THR 10 1HG2 THR 10 0.202 -14.018 5.431 90 HG23 THR 10 2HG2 THR 10 -1.119 -15.010 4.815 91 H ASP 11 H ASP 11 -4.152 -12.037 3.455 92 HA ASP 11 HA ASP 11 -4.410 -14.415 1.785 93 HB2 ASP 11 2HB ASP 11 -6.409 -12.205 2.470 94 HB3 ASP 11 3HB ASP 11 -6.785 -13.644 1.533 95 H THR 12 H THR 12 -3.219 -14.061 -0.075 96 HA THR 12 HA THR 12 -3.193 -11.622 -1.562 97 HB THR 12 HB THR 12 -2.178 -13.147 -3.396 98 HG1 THR 12 HG1 THR 12 -1.440 -15.095 -1.690 99 HG21 THR 12 3HG2 THR 12 -0.014 -13.340 -2.235 100 HG22 THR 12 1HG2 THR 12 -0.799 -13.015 -0.687 101 HG23 THR 12 2HG2 THR 12 -0.757 -11.769 -1.940 102 H ASN 13 H ASN 13 -5.391 -14.305 -1.480 103 HA ASN 13 HA ASN 13 -6.750 -13.951 -3.939 104 HB2 ASN 13 2HB ASN 13 -7.868 -14.842 -1.239 105 HB3 ASN 13 3HB ASN 13 -8.734 -14.977 -2.769 106 HD21 ASN 13 1HD2 ASN 13 -7.950 -16.524 -4.332 107 HD22 ASN 13 2HD2 ASN 13 -6.960 -17.851 -3.834 108 H ILE 14 H ILE 14 -7.165 -12.461 -0.750 109 HA ILE 14 HA ILE 14 -9.379 -10.792 -1.421 110 HB ILE 14 HB ILE 14 -7.412 -10.722 0.905 111 HG12 ILE 14 2HG1 ILE 14 -8.844 -12.705 0.904 112 HG13 ILE 14 3HG1 ILE 14 -9.345 -11.637 2.207 113 HG21 ILE 14 1HG2 ILE 14 -8.249 -8.448 0.616 114 HG22 ILE 14 2HG2 ILE 14 -8.967 -9.174 2.053 115 HG23 ILE 14 3HG2 ILE 14 -9.912 -9.037 0.571 116 HD11 ILE 14 3HD1 ILE 14 -11.238 -10.866 0.774 117 HD12 ILE 14 1HD1 ILE 14 -11.280 -12.586 1.153 118 HD13 ILE 14 2HD1 ILE 14 -10.748 -12.052 -0.438 119 H ILE 15 H ILE 15 -5.862 -10.260 -1.222 120 HA ILE 15 HA ILE 15 -5.745 -7.523 -1.812 121 HB ILE 15 HB ILE 15 -3.754 -9.711 -2.590 122 HG12 ILE 15 2HG1 ILE 15 -3.736 -7.840 -0.171 123 HG13 ILE 15 3HG1 ILE 15 -4.263 -9.517 -0.129 124 HG21 ILE 15 1HG2 ILE 15 -3.300 -6.701 -2.454 125 HG22 ILE 15 2HG2 ILE 15 -3.346 -7.676 -3.924 126 HG23 ILE 15 3HG2 ILE 15 -2.053 -7.916 -2.750 127 HD11 ILE 15 3HD1 ILE 15 -2.024 -9.267 0.731 128 HD12 ILE 15 1HD1 ILE 15 -1.490 -8.570 -0.798 129 HD13 ILE 15 2HD1 ILE 15 -2.029 -10.249 -0.732 130 H SER 16 H SER 16 -5.795 -10.353 -3.972 131 HA SER 16 HA SER 16 -5.501 -9.094 -6.446 132 HB2 SER 16 2HB SER 16 -5.341 -11.540 -6.141 133 HB3 SER 16 3HB SER 16 -7.062 -11.630 -5.770 134 HG SER 16 HG SER 16 -7.180 -11.997 -7.840 135 H SER 17 H SER 17 -8.425 -9.672 -4.511 136 HA SER 17 HA SER 17 -10.312 -8.750 -6.427 137 HB2 SER 17 2HB SER 17 -10.553 -9.008 -3.397 138 HB3 SER 17 3HB SER 17 -11.903 -8.724 -4.497 139 HG SER 17 HG SER 17 -11.301 -10.727 -5.538 140 H VAL 18 H VAL 18 -9.066 -7.189 -3.434 141 HA VAL 18 HA VAL 18 -10.576 -4.813 -3.730 142 HB VAL 18 HB VAL 18 -8.047 -5.203 -2.058 143 HG11 VAL 18 1HG1 VAL 18 -8.636 -2.818 -2.331 144 HG12 VAL 18 2HG1 VAL 18 -8.900 -3.346 -0.675 145 HG13 VAL 18 3HG1 VAL 18 -10.276 -3.139 -1.757 146 HG21 VAL 18 3HG2 VAL 18 -9.749 -6.899 -1.542 147 HG22 VAL 18 1HG2 VAL 18 -10.950 -5.634 -1.267 148 HG23 VAL 18 2HG2 VAL 18 -9.549 -5.772 -0.202 149 H GLN 19 H GLN 19 -7.198 -5.581 -4.431 150 HA GLN 19 HA GLN 19 -6.158 -3.074 -5.014 151 HB2 GLN 19 2HB GLN 19 -4.768 -5.076 -4.717 152 HB3 GLN 19 3HB GLN 19 -5.430 -5.790 -6.182 153 HG2 GLN 19 2HG GLN 19 -4.396 -3.956 -7.494 154 HG3 GLN 19 3HG GLN 19 -3.671 -3.333 -6.012 155 HE21 GLN 19 1HE2 GLN 19 -2.988 -5.929 -4.891 156 HE22 GLN 19 2HE2 GLN 19 -1.700 -6.559 -5.849 157 H GLU 20 H GLU 20 -7.391 -5.509 -7.312 158 HA GLU 20 HA GLU 20 -7.281 -3.883 -9.605 159 HB2 GLU 20 2HB GLU 20 -8.794 -6.422 -8.923 160 HB3 GLU 20 3HB GLU 20 -9.006 -5.635 -10.484 161 HG2 GLU 20 2HG GLU 20 -6.338 -6.554 -9.382 162 HG3 GLU 20 3HG GLU 20 -7.328 -7.473 -10.506 163 H ARG 21 H ARG 21 -9.964 -4.527 -7.353 164 HA ARG 21 HA ARG 21 -12.003 -3.108 -8.631 165 HB2 ARG 21 2HB ARG 21 -11.498 -3.679 -5.687 166 HB3 ARG 21 3HB ARG 21 -12.936 -2.817 -6.229 167 HG2 ARG 21 2HG ARG 21 -13.606 -4.743 -7.592 168 HG3 ARG 21 3HG ARG 21 -12.156 -5.617 -7.096 169 HD2 ARG 21 2HD ARG 21 -12.940 -5.611 -4.758 170 HD3 ARG 21 3HD ARG 21 -14.380 -4.695 -5.238 171 HE ARG 21 HE ARG 21 -14.582 -6.806 -6.851 172 HH11 ARG 21 1HH1 ARG 21 -13.938 -6.734 -3.386 173 HH12 ARG 21 2HH1 ARG 21 -14.684 -8.273 -3.102 174 HH21 ARG 21 1HH2 ARG 21 -15.568 -8.801 -6.453 175 HH22 ARG 21 2HH2 ARG 21 -15.609 -9.447 -4.845 176 H ALA 22 H ALA 22 -9.449 -1.970 -6.491 177 HA ALA 22 HA ALA 22 -10.483 0.709 -6.248 178 HB1 ALA 22 3HB ALA 22 -8.416 1.127 -4.987 179 HB2 ALA 22 1HB ALA 22 -7.778 -0.447 -5.485 180 HB3 ALA 22 2HB ALA 22 -9.200 -0.354 -4.447 181 H LYS 23 H LYS 23 -7.988 -0.895 -8.207 182 HA LYS 23 HA LYS 23 -6.835 1.446 -9.367 183 HB2 LYS 23 2HB LYS 23 -6.792 -1.491 -10.176 184 HB3 LYS 23 3HB LYS 23 -5.896 -0.257 -11.056 185 HG2 LYS 23 2HG LYS 23 -4.429 0.157 -9.235 186 HG3 LYS 23 3HG LYS 23 -5.497 -0.648 -8.086 187 HD2 LYS 23 2HD LYS 23 -3.625 -2.097 -8.423 188 HD3 LYS 23 3HD LYS 23 -4.994 -2.835 -9.245 189 HE2 LYS 23 2HE LYS 23 -2.851 -1.216 -10.646 190 HE3 LYS 23 3HE LYS 23 -2.797 -2.964 -10.468 191 HZ1 LYS 23 3HZ LYS 23 -4.931 -3.056 -11.683 192 HZ2 LYS 23 1HZ LYS 23 -3.647 -2.439 -12.598 193 HZ3 LYS 23 2HZ LYS 23 -4.810 -1.390 -11.965 194 H HIS 24 H HIS 24 -9.535 -0.624 -10.252 195 HA HIS 24 HA HIS 24 -9.850 0.534 -12.907 196 HB2 HIS 24 2HB HIS 24 -11.599 -1.468 -11.400 197 HB3 HIS 24 3HB HIS 24 -11.873 -0.951 -13.060 198 HD1 HIS 24 HD1 HIS 24 -8.924 -1.165 -14.087 199 HD2 HIS 24 HD2 HIS 24 -10.882 -4.099 -11.873 200 HE1 HIS 24 HE1 HIS 24 -7.710 -3.305 -14.576 201 HE2 HIS 24 HE2 HIS 24 -8.810 -5.021 -13.118 202 H ASN 25 H ASN 25 -11.765 0.446 -9.856 203 HA ASN 25 HA ASN 25 -13.840 2.179 -10.700 204 HB2 ASN 25 2HB ASN 25 -14.025 0.613 -8.738 205 HB3 ASN 25 3HB ASN 25 -12.935 1.651 -7.821 206 HD21 ASN 25 1HD2 ASN 25 -14.511 2.027 -6.222 207 HD22 ASN 25 2HD2 ASN 25 -15.900 3.020 -6.498 208 H TYR 26 H TYR 26 -10.702 2.830 -9.216 209 HA TYR 26 HA TYR 26 -11.180 5.754 -9.469 210 HB2 TYR 26 2HB TYR 26 -9.137 4.499 -7.581 211 HB3 TYR 26 3HB TYR 26 -9.712 6.166 -7.600 212 HD1 TYR 26 HD1 TYR 26 -12.310 6.490 -7.116 213 HD2 TYR 26 HD2 TYR 26 -10.119 2.973 -6.045 214 HE1 TYR 26 HE1 TYR 26 -14.080 5.854 -5.528 215 HE2 TYR 26 HE2 TYR 26 -11.887 2.358 -4.458 216 HH TYR 26 HH TYR 26 -14.948 3.890 -4.456 217 HA PRO 27 HA PRO 27 -7.883 4.587 -12.542 218 HB2 PRO 27 2HB PRO 27 -8.872 5.915 -14.691 219 HB3 PRO 27 3HB PRO 27 -9.547 4.357 -14.174 220 HG2 PRO 27 2HG PRO 27 -10.596 7.121 -13.652 221 HG3 PRO 27 3HG PRO 27 -11.479 5.665 -14.166 222 HD2 PRO 27 2HD PRO 27 -11.389 6.525 -11.556 223 HD3 PRO 27 3HD PRO 27 -11.601 4.820 -12.018 224 H GLY 28 H GLY 28 -9.105 7.583 -11.313 225 HA2 GLY 28 2HA GLY 28 -6.956 9.255 -12.431 226 HA3 GLY 28 3HA GLY 28 -8.378 9.804 -11.565 227 H ARG 29 H ARG 29 -7.295 7.276 -9.794 228 HA ARG 29 HA ARG 29 -5.480 8.920 -8.123 229 HB2 ARG 29 2HB ARG 29 -7.360 6.711 -7.155 230 HB3 ARG 29 3HB ARG 29 -6.346 7.739 -6.153 231 HG2 ARG 29 2HG ARG 29 -8.712 8.646 -7.803 232 HG3 ARG 29 3HG ARG 29 -8.703 8.415 -6.058 233 HD2 ARG 29 2HD ARG 29 -6.816 10.376 -7.393 234 HD3 ARG 29 3HD ARG 29 -8.469 10.822 -6.977 235 HE ARG 29 HE ARG 29 -7.733 9.981 -4.629 236 HH11 ARG 29 1HH1 ARG 29 -5.741 11.867 -6.841 237 HH12 ARG 29 2HH1 ARG 29 -4.841 12.628 -5.566 238 HH21 ARG 29 1HH2 ARG 29 -6.601 11.081 -2.973 239 HH22 ARG 29 2HH2 ARG 29 -5.331 12.187 -3.394 240 H GLU 30 H GLU 30 -3.469 8.111 -7.945 241 HA GLU 30 HA GLU 30 -2.776 5.723 -9.390 242 HB2 GLU 30 2HB GLU 30 -1.083 7.792 -7.931 243 HB3 GLU 30 3HB GLU 30 -0.394 6.370 -8.710 244 HG2 GLU 30 2HG GLU 30 -0.143 8.214 -10.205 245 HG3 GLU 30 3HG GLU 30 -1.350 7.130 -10.879 246 H ILE 31 H ILE 31 -2.288 3.803 -8.632 247 HA ILE 31 HA ILE 31 -1.998 3.297 -5.729 248 HB ILE 31 HB ILE 31 -3.670 1.751 -7.770 249 HG12 ILE 31 2HG1 ILE 31 -4.467 3.213 -5.201 250 HG13 ILE 31 3HG1 ILE 31 -4.777 3.770 -6.841 251 HG21 ILE 31 1HG2 ILE 31 -2.481 0.149 -6.325 252 HG22 ILE 31 2HG2 ILE 31 -4.209 0.141 -5.977 253 HG23 ILE 31 3HG2 ILE 31 -3.092 0.969 -4.888 254 HD11 ILE 31 3HD1 ILE 31 -6.767 2.869 -5.898 255 HD12 ILE 31 1HD1 ILE 31 -5.960 1.350 -5.510 256 HD13 ILE 31 2HD1 ILE 31 -6.221 1.808 -7.196 257 H ARG 32 H ARG 32 -0.599 1.607 -5.207 258 HA ARG 32 HA ARG 32 1.253 0.673 -7.321 259 HB2 ARG 32 2HB ARG 32 1.768 1.619 -4.472 260 HB3 ARG 32 3HB ARG 32 2.970 0.727 -5.396 261 HG2 ARG 32 2HG ARG 32 1.793 3.405 -6.196 262 HG3 ARG 32 3HG ARG 32 3.361 3.158 -5.429 263 HD2 ARG 32 2HD ARG 32 4.005 1.724 -7.401 264 HD3 ARG 32 3HD ARG 32 2.505 2.216 -8.182 265 HE ARG 32 HE ARG 32 4.789 3.965 -7.528 266 HH11 ARG 32 1HH1 ARG 32 1.850 3.409 -9.386 267 HH12 ARG 32 2HH1 ARG 32 2.095 4.806 -10.387 268 HH21 ARG 32 1HH2 ARG 32 5.092 5.753 -8.847 269 HH22 ARG 32 2HH2 ARG 32 3.935 6.133 -10.077 270 H THR 33 H THR 33 2.357 -1.306 -6.858 271 HA THR 33 HA THR 33 1.118 -3.147 -4.893 272 HB THR 33 HB THR 33 1.928 -3.925 -7.745 273 HG1 THR 33 HG1 THR 33 -0.703 -3.592 -6.700 274 HG21 THR 33 3HG2 THR 33 0.704 -6.019 -7.267 275 HG22 THR 33 1HG2 THR 33 0.376 -5.463 -5.623 276 HG23 THR 33 2HG2 THR 33 2.035 -5.795 -6.130 277 H ALA 34 H ALA 34 2.628 -4.378 -3.796 278 HA ALA 34 HA ALA 34 5.465 -4.258 -4.642 279 HB1 ALA 34 3HB ALA 34 5.103 -2.722 -2.766 280 HB2 ALA 34 1HB ALA 34 6.096 -4.092 -2.269 281 HB3 ALA 34 2HB ALA 34 4.391 -4.023 -1.815 282 H THR 35 H THR 35 6.019 -6.263 -5.205 283 HA THR 35 HA THR 35 4.847 -8.670 -4.158 284 HB THR 35 HB THR 35 7.390 -8.277 -5.811 285 HG1 THR 35 HG1 THR 35 5.223 -7.537 -6.649 286 HG21 THR 35 3HG2 THR 35 7.255 -10.550 -4.774 287 HG22 THR 35 1HG2 THR 35 7.106 -10.607 -6.530 288 HG23 THR 35 2HG2 THR 35 5.671 -10.780 -5.519 289 H SER 36 H SER 36 7.873 -6.891 -3.703 290 HA SER 36 HA SER 36 8.480 -8.259 -1.200 291 HB2 SER 36 2HB SER 36 9.530 -9.651 -3.020 292 HB3 SER 36 3HB SER 36 10.457 -8.245 -3.532 293 HG SER 36 HG SER 36 11.658 -9.617 -2.155 294 H SER 37 H SER 37 10.793 -7.301 -0.496 295 HA SER 37 HA SER 37 10.441 -4.593 0.129 296 HB2 SER 37 2HB SER 37 12.873 -4.854 0.992 297 HB3 SER 37 3HB SER 37 11.644 -5.922 1.670 298 HG SER 37 HG SER 37 12.467 -7.601 0.624 299 H GLN 38 H GLN 38 12.083 -6.065 -2.585 300 HA GLN 38 HA GLN 38 13.615 -3.856 -3.482 301 HB2 GLN 38 2HB GLN 38 13.929 -6.104 -4.399 302 HB3 GLN 38 3HB GLN 38 12.278 -6.138 -5.005 303 HG2 GLN 38 2HG GLN 38 13.926 -5.785 -6.808 304 HG3 GLN 38 3HG GLN 38 12.811 -4.423 -6.659 305 HE21 GLN 38 1HE2 GLN 38 13.623 -2.422 -6.039 306 HE22 GLN 38 2HE2 GLN 38 15.309 -2.080 -5.946 307 H ASP 39 H ASP 39 10.293 -4.882 -4.145 308 HA ASP 39 HA ASP 39 9.562 -2.759 -5.897 309 HB2 ASP 39 2HB ASP 39 7.711 -4.483 -4.187 310 HB3 ASP 39 3HB ASP 39 7.279 -3.609 -5.652 311 H ILE 40 H ILE 40 9.167 -3.345 -2.432 312 HA ILE 40 HA ILE 40 7.743 -1.171 -1.514 313 HB ILE 40 HB ILE 40 10.074 -2.725 -0.321 314 HG12 ILE 40 2HG1 ILE 40 7.920 -3.942 -0.578 315 HG13 ILE 40 3HG1 ILE 40 8.397 -3.797 1.107 316 HG21 ILE 40 1HG2 ILE 40 10.246 -0.562 0.743 317 HG22 ILE 40 2HG2 ILE 40 9.626 -1.741 1.897 318 HG23 ILE 40 3HG2 ILE 40 8.528 -0.581 1.149 319 HD11 ILE 40 3HD1 ILE 40 6.019 -3.495 0.834 320 HD12 ILE 40 1HD1 ILE 40 6.280 -2.161 -0.287 321 HD13 ILE 40 2HD1 ILE 40 6.755 -2.000 1.407 322 H ARG 41 H ARG 41 11.308 -1.374 -1.879 323 HA ARG 41 HA ARG 41 11.896 1.302 -1.200 324 HB2 ARG 41 2HB ARG 41 13.472 -0.754 -2.794 325 HB3 ARG 41 3HB ARG 41 14.128 0.817 -2.351 326 HG2 ARG 41 2HG ARG 41 13.941 0.255 0.034 327 HG3 ARG 41 3HG ARG 41 13.219 -1.306 -0.371 328 HD2 ARG 41 2HD ARG 41 15.295 -1.979 -1.526 329 HD3 ARG 41 3HD ARG 41 16.012 -0.403 -1.171 330 HE ARG 41 HE ARG 41 15.181 -1.753 1.216 331 HH11 ARG 41 1HH1 ARG 41 17.783 -1.674 -1.170 332 HH12 ARG 41 2HH1 ARG 41 18.972 -2.317 -0.075 333 HH21 ARG 41 1HH2 ARG 41 16.742 -2.594 2.641 334 HH22 ARG 41 2HH2 ARG 41 18.380 -2.840 2.099 335 H ASP 42 H ASP 42 11.182 -0.248 -4.292 336 HA ASP 42 HA ASP 42 11.933 1.856 -6.031 337 HB2 ASP 42 2HB ASP 42 11.549 -0.536 -6.731 338 HB3 ASP 42 3HB ASP 42 9.818 -0.303 -6.517 339 H ILE 43 H ILE 43 8.888 1.070 -4.418 340 HA ILE 43 HA ILE 43 7.237 3.029 -5.663 341 HB ILE 43 HB ILE 43 6.922 1.522 -3.027 342 HG12 ILE 43 2HG1 ILE 43 5.443 1.090 -5.669 343 HG13 ILE 43 3HG1 ILE 43 6.889 0.198 -5.219 344 HG21 ILE 43 1HG2 ILE 43 4.925 3.342 -4.425 345 HG22 ILE 43 2HG2 ILE 43 5.622 3.556 -2.817 346 HG23 ILE 43 3HG2 ILE 43 4.511 2.228 -3.126 347 HD11 ILE 43 3HD1 ILE 43 5.725 -0.723 -3.284 348 HD12 ILE 43 1HD1 ILE 43 4.905 -1.097 -4.799 349 HD13 ILE 43 2HD1 ILE 43 4.266 0.162 -3.743 350 H ILE 44 H ILE 44 8.939 2.956 -2.522 351 HA ILE 44 HA ILE 44 8.187 5.547 -1.652 352 HB ILE 44 HB ILE 44 10.591 3.832 -0.853 353 HG12 ILE 44 2HG1 ILE 44 7.859 4.150 0.504 354 HG13 ILE 44 3HG1 ILE 44 8.325 2.778 -0.492 355 HG21 ILE 44 1HG2 ILE 44 10.691 5.187 1.221 356 HG22 ILE 44 2HG2 ILE 44 9.418 6.238 0.598 357 HG23 ILE 44 3HG2 ILE 44 10.984 6.179 -0.211 358 HD11 ILE 44 3HD1 ILE 44 8.451 2.232 1.850 359 HD12 ILE 44 1HD1 ILE 44 9.575 3.563 2.134 360 HD13 ILE 44 2HD1 ILE 44 10.058 2.196 1.127 361 H LYS 45 H LYS 45 10.788 4.352 -3.715 362 HA LYS 45 HA LYS 45 12.241 6.807 -3.978 363 HB2 LYS 45 2HB LYS 45 12.846 4.249 -4.636 364 HB3 LYS 45 3HB LYS 45 12.266 4.758 -6.208 365 HG2 LYS 45 2HG LYS 45 14.523 6.088 -4.665 366 HG3 LYS 45 3HG LYS 45 14.745 4.895 -5.937 367 HD2 LYS 45 2HD LYS 45 13.493 7.641 -6.289 368 HD3 LYS 45 3HD LYS 45 15.139 7.197 -6.740 369 HE2 LYS 45 2HE LYS 45 14.257 5.567 -8.373 370 HE3 LYS 45 3HE LYS 45 12.608 6.002 -7.921 371 HZ1 LYS 45 3HZ LYS 45 13.353 7.117 -9.949 372 HZ2 LYS 45 1HZ LYS 45 14.590 7.882 -9.086 373 HZ3 LYS 45 2HZ LYS 45 12.972 8.221 -8.730 374 H SER 46 H SER 46 9.441 5.381 -5.615 375 HA SER 46 HA SER 46 9.176 7.327 -7.685 376 HB2 SER 46 2HB SER 46 8.051 5.102 -7.772 377 HB3 SER 46 3HB SER 46 7.000 5.583 -6.439 378 HG SER 46 HG SER 46 7.191 6.885 -8.968 379 H MET 47 H MET 47 8.171 7.153 -4.328 380 HA MET 47 HA MET 47 6.534 9.536 -4.356 381 HB2 MET 47 2HB MET 47 7.726 8.124 -1.928 382 HB3 MET 47 3HB MET 47 6.380 9.256 -1.938 383 HG2 MET 47 2HG MET 47 5.206 7.525 -3.468 384 HG3 MET 47 3HG MET 47 6.449 6.414 -2.908 385 HE1 MET 47 3HE MET 47 4.448 9.298 -1.096 386 HE2 MET 47 1HE MET 47 3.193 8.346 -0.303 387 HE3 MET 47 2HE MET 47 3.255 8.424 -2.063 388 H LYS 48 H LYS 48 9.918 8.813 -3.991 389 HA LYS 48 HA LYS 48 10.751 11.410 -3.135 390 HB2 LYS 48 2HB LYS 48 12.252 9.258 -4.682 391 HB3 LYS 48 3HB LYS 48 13.001 10.697 -4.016 392 HG2 LYS 48 2HG LYS 48 11.528 8.789 -2.199 393 HG3 LYS 48 3HG LYS 48 13.163 8.421 -2.746 394 HD2 LYS 48 2HD LYS 48 13.424 9.464 -0.643 395 HD3 LYS 48 3HD LYS 48 13.866 10.685 -1.832 396 HE2 LYS 48 2HE LYS 48 11.617 11.715 -1.557 397 HE3 LYS 48 3HE LYS 48 11.245 10.508 -0.318 398 HZ1 LYS 48 3HZ LYS 48 13.496 12.446 -0.187 399 HZ2 LYS 48 1HZ LYS 48 13.075 11.321 1.000 400 HZ3 LYS 48 2HZ LYS 48 12.031 12.600 0.646 401 H ASP 49 H ASP 49 10.178 9.916 -6.321 402 HA ASP 49 HA ASP 49 11.110 12.041 -7.953 403 HB2 ASP 49 2HB ASP 49 8.994 9.910 -8.501 404 HB3 ASP 49 3HB ASP 49 9.576 11.023 -9.734 405 H ASN 50 H ASN 50 7.886 11.204 -6.767 406 HA ASN 50 HA ASN 50 7.069 13.993 -6.668 407 HB2 ASN 50 2HB ASN 50 6.358 13.330 -8.952 408 HB3 ASN 50 3HB ASN 50 5.508 11.937 -8.306 409 HD21 ASN 50 1HD2 ASN 50 5.480 15.217 -6.903 410 HD22 ASN 50 2HD2 ASN 50 3.805 15.498 -7.195 411 H GLY 51 H GLY 51 6.265 14.229 -4.686 412 HA2 GLY 51 2HA GLY 51 5.467 11.970 -3.047 413 HA3 GLY 51 3HA GLY 51 5.579 13.650 -2.556 414 H LYS 52 H LYS 52 3.655 11.668 -4.763 415 HA LYS 52 HA LYS 52 1.190 13.139 -4.204 416 HB2 LYS 52 2HB LYS 52 0.222 11.730 -5.985 417 HB3 LYS 52 3HB LYS 52 1.718 12.471 -6.540 418 HG2 LYS 52 2HG LYS 52 2.924 10.381 -6.326 419 HG3 LYS 52 3HG LYS 52 1.555 9.622 -5.505 420 HD2 LYS 52 2HD LYS 52 1.666 8.874 -7.842 421 HD3 LYS 52 3HD LYS 52 0.198 9.814 -7.568 422 HE2 LYS 52 2HE LYS 52 1.299 11.794 -8.580 423 HE3 LYS 52 3HE LYS 52 2.742 10.824 -8.885 424 HZ1 LYS 52 3HZ LYS 52 1.403 9.380 -10.304 425 HZ2 LYS 52 1HZ LYS 52 1.377 10.977 -10.861 426 HZ3 LYS 52 2HZ LYS 52 0.047 10.349 -10.036 427 HA PRO 53 HA PRO 53 -0.414 9.845 -1.468 428 HB2 PRO 53 2HB PRO 53 -3.065 9.690 -2.168 429 HB3 PRO 53 3HB PRO 53 -2.396 11.020 -1.202 430 HG2 PRO 53 2HG PRO 53 -3.006 10.955 -4.138 431 HG3 PRO 53 3HG PRO 53 -3.335 12.231 -2.944 432 HD2 PRO 53 2HD PRO 53 -1.214 12.357 -4.643 433 HD3 PRO 53 3HD PRO 53 -1.159 13.040 -3.001 434 H LEU 54 H LEU 54 -0.008 7.739 -1.691 435 HA LEU 54 HA LEU 54 -0.967 6.254 -4.089 436 HB2 LEU 54 2HB LEU 54 1.681 5.975 -2.604 437 HB3 LEU 54 3HB LEU 54 1.084 4.740 -3.700 438 HG LEU 54 HG LEU 54 1.724 7.607 -4.516 439 HD11 LEU 54 1HD1 LEU 54 3.336 5.086 -5.038 440 HD12 LEU 54 2HD1 LEU 54 3.756 6.361 -3.897 441 HD13 LEU 54 3HD1 LEU 54 3.705 6.712 -5.620 442 HD21 LEU 54 3HD2 LEU 54 0.958 5.195 -6.197 443 HD22 LEU 54 1HD2 LEU 54 1.499 6.754 -6.832 444 HD23 LEU 54 2HD2 LEU 54 -0.008 6.648 -5.928 445 H VAL 55 H VAL 55 -1.267 3.922 -3.670 446 HA VAL 55 HA VAL 55 -1.714 3.163 -0.844 447 HB VAL 55 HB VAL 55 -3.614 2.518 -3.176 448 HG11 VAL 55 1HG1 VAL 55 -5.026 1.422 -1.472 449 HG12 VAL 55 2HG1 VAL 55 -3.790 1.714 -0.246 450 HG13 VAL 55 3HG1 VAL 55 -3.450 0.643 -1.609 451 HG21 VAL 55 3HG2 VAL 55 -4.099 4.293 -0.746 452 HG22 VAL 55 1HG2 VAL 55 -5.307 3.854 -1.957 453 HG23 VAL 55 2HG2 VAL 55 -3.917 4.839 -2.414 454 H VAL 56 H VAL 56 -0.079 1.696 -0.565 455 HA VAL 56 HA VAL 56 0.788 -0.045 -2.764 456 HB VAL 56 HB VAL 56 1.906 0.306 0.061 457 HG11 VAL 56 1HG1 VAL 56 3.102 -1.228 -2.286 458 HG12 VAL 56 2HG1 VAL 56 2.463 -1.936 -0.800 459 HG13 VAL 56 3HG1 VAL 56 3.899 -0.917 -0.741 460 HG21 VAL 56 3HG2 VAL 56 2.115 2.308 -1.362 461 HG22 VAL 56 1HG2 VAL 56 2.937 1.349 -2.596 462 HG23 VAL 56 2HG2 VAL 56 3.686 1.590 -1.016 463 H PHE 57 H PHE 57 -0.585 -1.769 -3.051 464 HA PHE 57 HA PHE 57 -1.401 -3.488 -0.848 465 HB2 PHE 57 2HB PHE 57 -1.576 -3.788 -3.878 466 HB3 PHE 57 3HB PHE 57 -2.164 -5.004 -2.748 467 HD1 PHE 57 HD1 PHE 57 -2.679 -1.506 -3.930 468 HD2 PHE 57 HD2 PHE 57 -4.285 -4.754 -1.657 469 HE1 PHE 57 HE1 PHE 57 -4.843 -0.339 -3.776 470 HE2 PHE 57 HE2 PHE 57 -6.438 -3.577 -1.514 471 HZ PHE 57 HZ PHE 57 -6.719 -1.373 -2.569 472 H VAL 58 H VAL 58 0.241 -4.523 0.158 473 HA VAL 58 HA VAL 58 2.474 -5.652 -1.359 474 HB VAL 58 HB VAL 58 3.422 -6.341 0.833 475 HG11 VAL 58 1HG1 VAL 58 4.032 -4.176 -0.079 476 HG12 VAL 58 2HG1 VAL 58 3.940 -4.068 1.675 477 HG13 VAL 58 3HG1 VAL 58 2.634 -3.416 0.679 478 HG21 VAL 58 3HG2 VAL 58 2.457 -5.556 2.960 479 HG22 VAL 58 1HG2 VAL 58 1.375 -6.686 2.144 480 HG23 VAL 58 2HG2 VAL 58 1.035 -4.956 2.101 481 H ASN 59 H ASN 59 2.310 -7.545 -2.239 482 HA ASN 59 HA ASN 59 0.059 -9.278 -1.789 483 HB2 ASN 59 2HB ASN 59 2.430 -9.499 -3.691 484 HB3 ASN 59 3HB ASN 59 1.072 -10.622 -3.674 485 HD21 ASN 59 1HD2 ASN 59 0.734 -10.008 -5.893 486 HD22 ASN 59 2HD2 ASN 59 -0.093 -8.545 -6.280 487 H GLY 60 H GLY 60 0.501 -9.770 0.423 488 HA2 GLY 60 2HA GLY 60 1.111 -11.144 2.132 489 HA3 GLY 60 3HA GLY 60 1.581 -12.315 0.909 490 H ALA 61 H ALA 61 2.974 -9.099 1.350 491 HA ALA 61 HA ALA 61 5.660 -10.086 1.468 492 HB1 ALA 61 3HB ALA 61 5.122 -7.902 0.461 493 HB2 ALA 61 1HB ALA 61 6.299 -7.730 1.767 494 HB3 ALA 61 2HB ALA 61 4.612 -7.293 2.034 495 H SER 62 H SER 62 7.075 -10.091 3.248 496 HA SER 62 HA SER 62 5.768 -10.980 5.680 497 HB2 SER 62 2HB SER 62 8.725 -10.901 4.952 498 HB3 SER 62 3HB SER 62 7.999 -11.827 6.270 499 HG SER 62 HG SER 62 6.995 -12.225 3.695 500 H GLN 63 H GLN 63 7.060 -10.453 7.768 501 HA GLN 63 HA GLN 63 6.503 -7.889 8.614 502 HB2 GLN 63 2HB GLN 63 6.778 -9.783 10.164 503 HB3 GLN 63 3HB GLN 63 8.495 -9.882 9.790 504 HG2 GLN 63 2HG GLN 63 8.179 -8.813 11.951 505 HG3 GLN 63 3HG GLN 63 8.836 -7.643 10.807 506 HE21 GLN 63 1HE2 GLN 63 8.088 -5.827 11.823 507 HE22 GLN 63 2HE2 GLN 63 6.416 -5.440 12.018 508 H ASN 64 H ASN 64 9.621 -9.206 7.494 509 HA ASN 64 HA ASN 64 11.186 -6.896 8.088 510 HB2 ASN 64 2HB ASN 64 11.729 -9.318 6.326 511 HB3 ASN 64 3HB ASN 64 12.911 -8.030 6.553 512 HD21 ASN 64 1HD2 ASN 64 13.168 -10.810 7.290 513 HD22 ASN 64 2HD2 ASN 64 13.428 -10.854 8.998 514 H ASP 65 H ASP 65 9.340 -7.874 5.247 515 HA ASP 65 HA ASP 65 10.350 -5.867 3.456 516 HB2 ASP 65 2HB ASP 65 7.666 -7.319 3.398 517 HB3 ASP 65 3HB ASP 65 8.344 -6.381 2.070 518 H VAL 66 H VAL 66 7.698 -6.039 5.775 519 HA VAL 66 HA VAL 66 6.571 -3.459 5.266 520 HB VAL 66 HB VAL 66 6.399 -5.178 7.795 521 HG11 VAL 66 1HG1 VAL 66 4.365 -3.870 8.344 522 HG12 VAL 66 2HG1 VAL 66 4.654 -2.832 6.948 523 HG13 VAL 66 3HG1 VAL 66 5.801 -2.842 8.286 524 HG21 VAL 66 3HG2 VAL 66 4.222 -5.949 6.903 525 HG22 VAL 66 1HG2 VAL 66 5.546 -6.366 5.814 526 HG23 VAL 66 2HG2 VAL 66 4.484 -5.010 5.432 527 H ASN 67 H ASN 67 9.071 -4.695 7.468 528 HA ASN 67 HA ASN 67 9.567 -2.336 8.958 529 HB2 ASN 67 2HB ASN 67 11.433 -4.673 8.309 530 HB3 ASN 67 3HB ASN 67 11.852 -3.378 9.428 531 HD21 ASN 67 1HD2 ASN 67 11.607 -6.239 9.919 532 HD22 ASN 67 2HD2 ASN 67 10.428 -6.418 11.169 533 H GLU 68 H GLU 68 10.884 -3.568 5.893 534 HA GLU 68 HA GLU 68 12.696 -1.516 5.309 535 HB2 GLU 68 2HB GLU 68 10.995 -3.262 3.481 536 HB3 GLU 68 3HB GLU 68 12.146 -2.094 2.854 537 HG2 GLU 68 2HG GLU 68 12.800 -4.467 4.607 538 HG3 GLU 68 3HG GLU 68 13.101 -4.331 2.876 539 H PHE 69 H PHE 69 9.208 -1.790 4.534 540 HA PHE 69 HA PHE 69 8.938 0.619 3.137 541 HB2 PHE 69 2HB PHE 69 7.235 -1.278 3.267 542 HB3 PHE 69 3HB PHE 69 6.726 -0.634 4.825 543 HD1 PHE 69 HD2 PHE 69 6.777 -0.067 1.186 544 HD2 PHE 69 HD1 PHE 69 5.455 1.494 4.939 545 HE1 PHE 69 HE2 PHE 69 5.281 1.484 0.012 546 HE2 PHE 69 HE1 PHE 69 3.962 3.054 3.749 547 HZ PHE 69 HZ PHE 69 3.877 3.035 1.291 548 H GLN 70 H GLN 70 8.577 -0.054 6.580 549 HA GLN 70 HA GLN 70 7.576 2.465 7.389 550 HB2 GLN 70 2HB GLN 70 8.994 0.269 8.950 551 HB3 GLN 70 3HB GLN 70 8.258 1.680 9.705 552 HG2 GLN 70 2HG GLN 70 6.049 1.014 8.931 553 HG3 GLN 70 3HG GLN 70 6.740 -0.327 8.011 554 HE21 GLN 70 1HE2 GLN 70 7.487 -2.169 9.146 555 HE22 GLN 70 2HE2 GLN 70 7.032 -2.471 10.783 556 H ASN 71 H ASN 71 10.850 1.041 7.584 557 HA ASN 71 HA ASN 71 12.074 3.239 8.889 558 HB2 ASN 71 2HB ASN 71 13.237 0.837 7.416 559 HB3 ASN 71 3HB ASN 71 14.244 2.018 8.252 560 HD21 ASN 71 1HD2 ASN 71 13.612 -0.906 8.718 561 HD22 ASN 71 2HD2 ASN 71 13.186 -0.987 10.387 562 H GLU 72 H GLU 72 12.143 2.159 5.466 563 HA GLU 72 HA GLU 72 13.758 4.192 4.422 564 HB2 GLU 72 2HB GLU 72 11.476 2.673 3.083 565 HB3 GLU 72 3HB GLU 72 12.536 3.776 2.220 566 HG2 GLU 72 2HG GLU 72 13.392 1.229 3.618 567 HG3 GLU 72 3HG GLU 72 13.168 1.427 1.882 568 H ALA 73 H ALA 73 10.151 4.037 4.470 569 HA ALA 73 HA ALA 73 9.651 6.502 3.267 570 HB1 ALA 73 3HB ALA 73 7.356 6.314 4.131 571 HB2 ALA 73 1HB ALA 73 7.879 5.062 5.270 572 HB3 ALA 73 2HB ALA 73 7.929 4.756 3.535 573 H LYS 74 H LYS 74 9.932 5.773 6.774 574 HA LYS 74 HA LYS 74 9.190 8.400 7.617 575 HB2 LYS 74 2HB LYS 74 9.805 7.738 9.897 576 HB3 LYS 74 3HB LYS 74 8.845 6.499 9.114 577 HG2 LYS 74 2HG LYS 74 10.398 5.194 10.192 578 HG3 LYS 74 3HG LYS 74 11.187 5.390 8.627 579 HD2 LYS 74 2HD LYS 74 12.580 7.228 9.602 580 HD3 LYS 74 3HD LYS 74 11.812 6.949 11.168 581 HE2 LYS 74 2HE LYS 74 13.497 4.957 9.619 582 HE3 LYS 74 3HE LYS 74 13.993 5.839 11.063 583 HZ1 LYS 74 3HZ LYS 74 12.302 4.680 12.320 584 HZ2 LYS 74 1HZ LYS 74 13.315 3.569 11.551 585 HZ3 LYS 74 2HZ LYS 74 11.775 3.867 10.935 586 H LYS 75 H LYS 75 12.335 6.931 6.841 587 HA LYS 75 HA LYS 75 13.771 9.303 7.786 588 HB2 LYS 75 2HB LYS 75 15.756 8.165 7.496 589 HB3 LYS 75 3HB LYS 75 14.642 6.868 7.902 590 HG2 LYS 75 2HG LYS 75 14.520 6.168 5.589 591 HG3 LYS 75 3HG LYS 75 15.462 7.573 5.079 592 HD2 LYS 75 2HD LYS 75 17.309 6.633 6.679 593 HD3 LYS 75 3HD LYS 75 16.397 5.122 6.589 594 HE2 LYS 75 2HE LYS 75 17.531 6.666 4.255 595 HE3 LYS 75 3HE LYS 75 18.206 5.183 4.932 596 HZ1 LYS 75 3HZ LYS 75 16.068 4.091 4.353 597 HZ2 LYS 75 1HZ LYS 75 16.944 4.625 3.006 598 HZ3 LYS 75 2HZ LYS 75 15.608 5.508 3.547 599 H GLU 76 H GLU 76 12.260 8.313 4.860 600 HA GLU 76 HA GLU 76 13.767 10.138 3.158 601 HB2 GLU 76 2HB GLU 76 11.171 8.642 2.574 602 HB3 GLU 76 3HB GLU 76 12.078 9.590 1.409 603 HG2 GLU 76 2HG GLU 76 12.788 6.935 2.622 604 HG3 GLU 76 3HG GLU 76 12.599 7.353 0.926 605 H GLY 77 H GLY 77 11.043 10.325 5.264 606 HA2 GLY 77 2HA GLY 77 9.937 12.308 5.920 607 HA3 GLY 77 3HA GLY 77 10.428 13.084 4.423 608 H VAL 78 H VAL 78 9.302 10.000 3.815 609 HA VAL 78 HA VAL 78 6.795 10.898 2.664 610 HB VAL 78 HB VAL 78 8.122 8.137 2.723 611 HG11 VAL 78 1HG1 VAL 78 6.528 7.476 0.962 612 HG12 VAL 78 2HG1 VAL 78 5.706 9.031 1.105 613 HG13 VAL 78 3HG1 VAL 78 5.690 7.898 2.458 614 HG21 VAL 78 3HG2 VAL 78 9.415 9.810 1.455 615 HG22 VAL 78 1HG2 VAL 78 7.993 10.184 0.476 616 HG23 VAL 78 2HG2 VAL 78 8.738 8.585 0.382 617 H SER 79 H SER 79 5.056 11.051 3.940 618 HA SER 79 HA SER 79 4.617 9.720 6.421 619 HB2 SER 79 2HB SER 79 2.562 11.033 4.571 620 HB3 SER 79 3HB SER 79 2.338 10.675 6.284 621 HG SER 79 HG SER 79 4.259 12.097 6.572 622 H TYR 80 H TYR 80 3.459 7.833 6.845 623 HA TYR 80 HA TYR 80 2.226 6.345 4.645 624 HB2 TYR 80 2HB TYR 80 3.518 4.304 5.103 625 HB3 TYR 80 3HB TYR 80 4.605 5.622 4.680 626 HD1 TYR 80 HD2 TYR 80 5.813 6.871 6.609 627 HD2 TYR 80 HD1 TYR 80 3.890 3.088 7.147 628 HE1 TYR 80 HE2 TYR 80 7.116 6.494 8.656 629 HE2 TYR 80 HE1 TYR 80 5.195 2.723 9.197 630 HH TYR 80 HH TYR 80 6.979 5.190 10.707 631 H ASP 81 H ASP 81 0.847 4.726 5.309 632 HA ASP 81 HA ASP 81 -0.087 4.782 8.135 633 HB2 ASP 81 2HB ASP 81 -1.781 4.554 5.578 634 HB3 ASP 81 3HB ASP 81 -2.405 4.555 7.222 635 H VAL 82 H VAL 82 0.137 2.753 8.984 636 HA VAL 82 HA VAL 82 0.480 0.454 7.191 637 HB VAL 82 HB VAL 82 0.732 0.493 10.249 638 HG11 VAL 82 1HG1 VAL 82 1.849 -1.705 9.960 639 HG12 VAL 82 2HG1 VAL 82 1.565 -1.635 8.221 640 HG13 VAL 82 3HG1 VAL 82 0.200 -1.752 9.332 641 HG21 VAL 82 3HG2 VAL 82 2.442 1.948 9.200 642 HG22 VAL 82 1HG2 VAL 82 2.942 0.624 8.145 643 HG23 VAL 82 2HG2 VAL 82 3.186 0.505 9.889 644 H LEU 83 H LEU 83 -1.407 -0.175 6.443 645 HA LEU 83 HA LEU 83 -3.755 -0.539 8.164 646 HB2 LEU 83 2HB LEU 83 -4.058 0.564 5.981 647 HB3 LEU 83 3HB LEU 83 -3.344 -0.811 5.152 648 HG LEU 83 HG LEU 83 -5.277 -2.225 5.883 649 HD11 LEU 83 1HD1 LEU 83 -5.901 -1.061 7.921 650 HD12 LEU 83 2HD1 LEU 83 -7.280 -1.189 6.834 651 HD13 LEU 83 3HD1 LEU 83 -6.424 0.347 6.991 652 HD21 LEU 83 3HD2 LEU 83 -5.323 -1.210 3.673 653 HD22 LEU 83 1HD2 LEU 83 -6.020 0.276 4.326 654 HD23 LEU 83 2HD2 LEU 83 -6.948 -1.227 4.351 655 H LYS 84 H LYS 84 -3.588 -2.414 9.310 656 HA LYS 84 HA LYS 84 -2.705 -4.886 7.931 657 HB2 LYS 84 2HB LYS 84 -1.695 -4.132 10.213 658 HB3 LYS 84 3HB LYS 84 -3.247 -4.580 10.917 659 HG2 LYS 84 2HG LYS 84 -1.842 -6.472 11.216 660 HG3 LYS 84 3HG LYS 84 -2.912 -6.888 9.876 661 HD2 LYS 84 2HD LYS 84 -0.657 -7.607 9.334 662 HD3 LYS 84 3HD LYS 84 -1.094 -6.261 8.277 663 HE2 LYS 84 2HE LYS 84 1.222 -6.081 9.130 664 HE3 LYS 84 3HE LYS 84 0.220 -4.720 9.630 665 HZ1 LYS 84 3HZ LYS 84 1.600 -5.549 11.430 666 HZ2 LYS 84 1HZ LYS 84 0.889 -7.075 11.306 667 HZ3 LYS 84 2HZ LYS 84 -0.037 -5.750 11.792 668 H SER 85 H SER 85 -4.487 -5.603 6.845 669 HA SER 85 HA SER 85 -6.756 -6.595 8.328 670 HB2 SER 85 2HB SER 85 -7.122 -4.341 6.300 671 HB3 SER 85 3HB SER 85 -8.444 -5.388 6.815 672 HG SER 85 HG SER 85 -7.469 -4.599 9.025 673 H THR 86 H THR 86 -7.550 -8.392 7.349 674 HA THR 86 HA THR 86 -6.567 -9.133 4.658 675 HB THR 86 HB THR 86 -7.020 -11.498 5.404 676 HG1 THR 86 HG1 THR 86 -8.249 -11.690 7.107 677 HG21 THR 86 3HG2 THR 86 -5.119 -11.698 6.974 678 HG22 THR 86 1HG2 THR 86 -5.160 -9.959 7.264 679 HG23 THR 86 2HG2 THR 86 -4.729 -10.579 5.669 680 H ASP 87 H ASP 87 -9.318 -7.890 6.039 681 HA ASP 87 HA ASP 87 -11.266 -9.529 4.586 682 HB2 ASP 87 2HB ASP 87 -11.569 -7.179 6.499 683 HB3 ASP 87 3HB ASP 87 -12.936 -7.806 5.577 684 HA PRO 88 HA PRO 88 -10.954 -7.069 0.932 685 HB2 PRO 88 2HB PRO 88 -13.301 -7.726 -0.360 686 HB3 PRO 88 3HB PRO 88 -11.937 -8.851 -0.188 687 HG2 PRO 88 2HG PRO 88 -14.445 -8.688 1.442 688 HG3 PRO 88 3HG PRO 88 -13.608 -10.119 0.799 689 HD2 PRO 88 2HD PRO 88 -13.343 -9.336 3.390 690 HD3 PRO 88 3HD PRO 88 -12.029 -10.138 2.502 691 H GLU 89 H GLU 89 -14.194 -6.852 2.406 692 HA GLU 89 HA GLU 89 -14.922 -4.342 1.376 693 HB2 GLU 89 2HB GLU 89 -16.606 -4.356 3.280 694 HB3 GLU 89 3HB GLU 89 -16.629 -5.782 2.249 695 HG2 GLU 89 2HG GLU 89 -15.304 -7.022 3.941 696 HG3 GLU 89 3HG GLU 89 -15.316 -5.597 4.974 697 H GLU 90 H GLU 90 -13.075 -5.259 4.215 698 HA GLU 90 HA GLU 90 -13.019 -2.806 5.616 699 HB2 GLU 90 2HB GLU 90 -12.299 -5.169 6.421 700 HB3 GLU 90 3HB GLU 90 -10.779 -4.869 5.594 701 HG2 GLU 90 2HG GLU 90 -10.277 -4.295 7.796 702 HG3 GLU 90 3HG GLU 90 -10.648 -2.729 7.081 703 H LEU 91 H LEU 91 -10.671 -4.325 3.398 704 HA LEU 91 HA LEU 91 -8.826 -2.207 3.261 705 HB2 LEU 91 2HB LEU 91 -9.387 -4.390 1.211 706 HB3 LEU 91 3HB LEU 91 -7.966 -3.357 1.220 707 HG LEU 91 HG LEU 91 -8.673 -5.399 3.362 708 HD11 LEU 91 1HD1 LEU 91 -6.747 -6.674 2.519 709 HD12 LEU 91 2HD1 LEU 91 -6.505 -5.483 1.238 710 HD13 LEU 91 3HD1 LEU 91 -7.971 -6.462 1.266 711 HD21 LEU 91 3HD2 LEU 91 -6.425 -4.911 4.276 712 HD22 LEU 91 1HD2 LEU 91 -7.509 -3.523 4.361 713 HD23 LEU 91 2HD2 LEU 91 -6.257 -3.588 3.122 714 H THR 92 H THR 92 -11.637 -2.998 1.233 715 HA THR 92 HA THR 92 -11.190 -1.225 -0.905 716 HB THR 92 HB THR 92 -13.806 -2.417 0.130 717 HG1 THR 92 HG1 THR 92 -11.875 -3.696 -0.807 718 HG21 THR 92 3HG2 THR 92 -14.336 -0.489 -1.324 719 HG22 THR 92 1HG2 THR 92 -14.721 -2.002 -2.148 720 HG23 THR 92 2HG2 THR 92 -13.257 -1.113 -2.572 721 H GLN 93 H GLN 93 -13.135 -0.812 2.081 722 HA GLN 93 HA GLN 93 -13.971 1.839 1.453 723 HB2 GLN 93 2HB GLN 93 -14.811 1.971 3.735 724 HB3 GLN 93 3HB GLN 93 -15.249 0.425 3.019 725 HG2 GLN 93 2HG GLN 93 -13.546 -0.715 4.294 726 HG3 GLN 93 3HG GLN 93 -12.905 0.806 4.897 727 HE21 GLN 93 1HE2 GLN 93 -15.588 1.934 5.452 728 HE22 GLN 93 2HE2 GLN 93 -16.125 1.118 6.875 729 H ARG 94 H ARG 94 -11.182 0.512 3.254 730 HA ARG 94 HA ARG 94 -10.229 2.959 4.317 731 HB2 ARG 94 2HB ARG 94 -8.711 0.431 3.581 732 HB3 ARG 94 3HB ARG 94 -7.978 1.787 4.430 733 HG2 ARG 94 2HG ARG 94 -10.301 0.142 5.456 734 HG3 ARG 94 3HG ARG 94 -8.621 -0.062 5.927 735 HD2 ARG 94 2HD ARG 94 -8.640 2.272 6.825 736 HD3 ARG 94 3HD ARG 94 -10.365 2.367 6.457 737 HE ARG 94 HE ARG 94 -9.194 1.192 8.737 738 HH11 ARG 94 1HH1 ARG 94 -11.825 0.559 6.480 739 HH12 ARG 94 2HH1 ARG 94 -12.733 -0.378 7.628 740 HH21 ARG 94 1HH2 ARG 94 -10.378 -0.084 10.186 741 HH22 ARG 94 2HH2 ARG 94 -11.915 -0.732 9.708 742 H VAL 95 H VAL 95 -9.620 1.392 1.187 743 HA VAL 95 HA VAL 95 -7.454 3.034 0.367 744 HB VAL 95 HB VAL 95 -9.390 1.365 -1.316 745 HG11 VAL 95 1HG1 VAL 95 -8.395 3.073 -2.760 746 HG12 VAL 95 2HG1 VAL 95 -7.694 1.501 -3.135 747 HG13 VAL 95 3HG1 VAL 95 -6.776 2.670 -2.183 748 HG21 VAL 95 3HG2 VAL 95 -6.551 0.743 -0.412 749 HG22 VAL 95 1HG2 VAL 95 -7.585 -0.298 -1.393 750 HG23 VAL 95 2HG2 VAL 95 -8.016 0.053 0.279 751 H ARG 96 H ARG 96 -10.952 3.136 -0.427 752 HA ARG 96 HA ARG 96 -10.825 5.477 -2.022 753 HB2 ARG 96 2HB ARG 96 -13.286 5.609 -1.777 754 HB3 ARG 96 3HB ARG 96 -12.741 3.988 -2.197 755 HG2 ARG 96 2HG ARG 96 -13.084 3.211 0.063 756 HG3 ARG 96 3HG ARG 96 -13.461 4.844 0.620 757 HD2 ARG 96 2HD ARG 96 -15.491 3.508 0.372 758 HD3 ARG 96 3HD ARG 96 -15.493 4.850 -0.775 759 HE ARG 96 HE ARG 96 -14.418 2.715 -2.140 760 HH11 ARG 96 1HH1 ARG 96 -17.501 3.365 -0.560 761 HH12 ARG 96 2HH1 ARG 96 -18.387 2.322 -1.626 762 HH21 ARG 96 1HH2 ARG 96 -15.582 1.376 -3.524 763 HH22 ARG 96 2HH2 ARG 96 -17.300 1.193 -3.312 764 H GLU 97 H GLU 97 -11.398 5.020 1.464 765 HA GLU 97 HA GLU 97 -12.067 7.741 2.016 766 HB2 GLU 97 2HB GLU 97 -11.297 5.366 3.730 767 HB3 GLU 97 3HB GLU 97 -11.462 6.960 4.455 768 HG2 GLU 97 2HG GLU 97 -13.656 5.541 2.909 769 HG3 GLU 97 3HG GLU 97 -13.503 5.559 4.665 770 H PHE 98 H PHE 98 -9.044 5.939 1.951 771 HA PHE 98 HA PHE 98 -7.366 7.933 3.052 772 HB2 PHE 98 2HB PHE 98 -6.553 5.614 2.795 773 HB3 PHE 98 3HB PHE 98 -6.689 5.727 1.040 774 HD1 PHE 98 HD1 PHE 98 -4.925 7.176 3.994 775 HD2 PHE 98 HD2 PHE 98 -4.861 6.615 -0.249 776 HE1 PHE 98 HE1 PHE 98 -2.673 8.147 3.889 777 HE2 PHE 98 HE2 PHE 98 -2.598 7.584 -0.334 778 HZ PHE 98 HZ PHE 98 -1.521 8.353 1.735 779 H LEU 99 H LEU 99 -8.088 7.033 -0.327 780 HA LEU 99 HA LEU 99 -6.673 9.096 -1.609 781 HB2 LEU 99 2HB LEU 99 -9.075 7.478 -2.555 782 HB3 LEU 99 3HB LEU 99 -8.102 8.495 -3.609 783 HG LEU 99 HG LEU 99 -7.004 6.094 -2.088 784 HD11 LEU 99 1HD1 LEU 99 -7.861 6.217 -4.998 785 HD12 LEU 99 2HD1 LEU 99 -8.657 5.315 -3.708 786 HD13 LEU 99 3HD1 LEU 99 -7.033 4.867 -4.218 787 HD21 LEU 99 3HD2 LEU 99 -5.055 6.303 -3.581 788 HD22 LEU 99 1HD2 LEU 99 -5.286 7.755 -2.606 789 HD23 LEU 99 2HD2 LEU 99 -5.758 7.751 -4.307 790 H LYS 100 H LYS 100 -9.844 9.033 -0.164 791 HA LYS 100 HA LYS 100 -10.978 11.332 -1.431 792 HB2 LYS 100 2HB LYS 100 -12.271 9.469 -0.262 793 HB3 LYS 100 3HB LYS 100 -11.730 10.123 1.278 794 HG2 LYS 100 2HG LYS 100 -14.001 10.847 0.831 795 HG3 LYS 100 3HG LYS 100 -12.926 12.247 0.761 796 HD2 LYS 100 2HD LYS 100 -12.966 12.219 -1.676 797 HD3 LYS 100 3HD LYS 100 -13.889 10.712 -1.684 798 HE2 LYS 100 2HE LYS 100 -15.341 12.617 -2.162 799 HE3 LYS 100 3HE LYS 100 -15.794 11.879 -0.627 800 HZ1 LYS 100 3HZ LYS 100 -14.194 14.357 -0.979 801 HZ2 LYS 100 1HZ LYS 100 -14.573 13.644 0.509 802 HZ3 LYS 100 2HZ LYS 100 -15.801 14.263 -0.468 803 H THR 101 H THR 101 -9.627 10.800 1.853 804 HA THR 101 HA THR 101 -9.655 13.554 2.605 805 HB THR 101 HB THR 101 -9.741 11.633 4.235 806 HG1 THR 101 HG1 THR 101 -9.158 13.768 4.912 807 HG21 THR 101 3HG2 THR 101 -7.962 10.198 3.297 808 HG22 THR 101 1HG2 THR 101 -7.661 10.574 4.995 809 HG23 THR 101 2HG2 THR 101 -6.755 11.411 3.733 810 H ALA 102 H ALA 102 -7.426 11.563 0.856 811 HA ALA 102 HA ALA 102 -5.058 13.155 1.146 812 HB1 ALA 102 3HB ALA 102 -4.144 11.730 -0.621 813 HB2 ALA 102 1HB ALA 102 -5.747 11.056 -0.938 814 HB3 ALA 102 2HB ALA 102 -4.951 10.759 0.608 815 H GLY 103 H GLY 103 -7.916 13.373 -0.815 816 HA2 GLY 103 2HA GLY 103 -7.034 14.939 -2.989 817 HA3 GLY 103 3HA GLY 103 -8.650 14.958 -2.291 818 H SER 104 H SER 104 -5.478 16.413 -2.200 819 HA SER 104 HA SER 104 -5.928 18.083 0.084 820 HB2 SER 104 2HB SER 104 -3.675 17.218 -0.520 821 HB3 SER 104 3HB SER 104 -3.711 18.170 -2.003 822 HG SER 104 HG SER 104 -3.195 18.954 0.586 823 H LEU 105 H LEU 105 -7.718 19.354 -0.324 824 HA LEU 105 HA LEU 105 -7.770 21.368 -2.417 825 HB2 LEU 105 2HB LEU 105 -9.384 21.110 0.157 826 HB3 LEU 105 3HB LEU 105 -9.698 22.293 -1.099 827 HG LEU 105 HG LEU 105 -9.999 19.277 -1.370 828 HD11 LEU 105 1HD1 LEU 105 -12.405 19.725 -1.575 829 HD12 LEU 105 2HD1 LEU 105 -12.125 21.447 -1.305 830 HD13 LEU 105 3HD1 LEU 105 -11.782 20.283 -0.022 831 HD21 LEU 105 3HD2 LEU 105 -10.522 21.432 -3.446 832 HD22 LEU 105 1HD2 LEU 105 -10.941 19.724 -3.609 833 HD23 LEU 105 2HD2 LEU 105 -9.253 20.207 -3.497 834 H GLU 106 H GLU 106 -8.354 23.733 -1.138 835 HA GLU 106 HA GLU 106 -5.883 24.620 0.005 836 HB2 GLU 106 2HB GLU 106 -7.332 26.124 -1.364 837 HB3 GLU 106 3HB GLU 106 -8.564 26.070 -0.106 838 HG2 GLU 106 2HG GLU 106 -6.994 27.156 1.475 839 HG3 GLU 106 3HG GLU 106 -5.757 27.186 0.222 840 H HIS 107 H HIS 107 -5.681 23.129 1.739 841 HA HIS 107 HA HIS 107 -7.419 23.142 4.035 842 HB2 HIS 107 2HB HIS 107 -5.922 21.197 3.537 843 HB3 HIS 107 3HB HIS 107 -4.512 22.217 3.771 844 HD1 HIS 107 HD1 HIS 107 -4.128 23.107 6.275 845 HD2 HIS 107 HD2 HIS 107 -6.937 20.067 5.849 846 HE1 HIS 107 HE1 HIS 107 -4.509 22.214 8.586 847 HE2 HIS 107 HE2 HIS 107 -6.034 20.246 8.268 848 H HIS 108 H HIS 108 -7.713 25.118 4.878 849 HA HIS 108 HA HIS 108 -5.836 27.235 4.888 850 HB2 HIS 108 2HB HIS 108 -8.375 26.913 6.552 851 HB3 HIS 108 3HB HIS 108 -7.474 28.415 6.359 852 HD1 HIS 108 HD1 HIS 108 -10.016 26.292 4.726 853 HD2 HIS 108 HD2 HIS 108 -7.695 29.584 3.732 854 HE1 HIS 108 HE1 HIS 108 -11.060 27.256 2.665 855 HE2 HIS 108 HE2 HIS 108 -9.540 29.133 1.992 856 H HIS 109 H HIS 109 -3.952 26.513 5.775 857 HA HIS 109 HA HIS 109 -3.464 25.072 8.079 858 HB2 HIS 109 2HB HIS 109 -1.147 25.933 7.958 859 HB3 HIS 109 3HB HIS 109 -1.745 25.531 6.352 860 HD1 HIS 109 HD1 HIS 109 0.101 28.109 8.012 861 HD2 HIS 109 HD2 HIS 109 -2.780 28.066 5.011 862 HE1 HIS 109 HE1 HIS 109 0.240 30.357 6.898 863 HE2 HIS 109 HE2 HIS 109 -1.359 30.219 4.981 864 H HIS 110 H HIS 110 -3.882 28.527 7.696 865 HA HIS 110 HA HIS 110 -4.507 28.975 10.487 866 HB2 HIS 110 2HB HIS 110 -2.078 30.251 9.154 867 HB3 HIS 110 3HB HIS 110 -2.897 31.032 10.498 868 HD1 HIS 110 HD1 HIS 110 -2.685 29.903 12.829 869 HD2 HIS 110 HD2 HIS 110 -0.381 28.114 9.868 870 HE1 HIS 110 HE1 HIS 110 -1.036 28.456 14.038 871 HE2 HIS 110 HE2 HIS 110 0.455 27.544 12.242 872 H HIS 111 H HIS 111 -5.473 31.129 10.770 873 HA HIS 111 HA HIS 111 -6.165 32.778 8.527 874 HB2 HIS 111 2HB HIS 111 -8.617 32.363 8.541 875 HB3 HIS 111 3HB HIS 111 -7.732 30.921 8.055 876 HD1 HIS 111 HD1 HIS 111 -10.114 32.196 10.582 877 HD2 HIS 111 HD2 HIS 111 -7.766 28.804 10.024 878 HE1 HIS 111 HE1 HIS 111 -11.083 30.448 12.097 879 HE2 HIS 111 HE2 HIS 111 -9.539 28.474 11.884 880 H HIS 112 H HIS 112 -8.277 34.178 9.424 881 HA HIS 112 HA HIS 112 -7.388 35.466 11.851 882 HB2 HIS 112 2HB HIS 112 -9.770 35.999 10.009 883 HB3 HIS 112 3HB HIS 112 -9.471 36.937 11.467 884 HD1 HIS 112 HD1 HIS 112 -9.230 37.601 8.156 885 HD2 HIS 112 HD2 HIS 112 -6.336 37.648 11.139 886 HE1 HIS 112 HE1 HIS 112 -7.442 39.159 7.337 887 HE2 HIS 112 HE2 HIS 112 -5.628 39.013 9.068 Start of MODEL 5 1 H1 MET 1 1H MET 1 7.170 15.123 2.721 2 H2 MET 1 2H MET 1 5.646 15.093 3.449 3 H3 MET 1 3H MET 1 6.268 16.545 2.848 4 HA MET 1 HA MET 1 4.563 15.580 1.428 5 HB2 MET 1 2HB MET 1 6.297 17.068 0.472 6 HB3 MET 1 3HB MET 1 7.366 15.695 0.231 7 HG2 MET 1 2HG MET 1 5.849 14.763 -1.438 8 HG3 MET 1 3HG MET 1 4.694 16.064 -1.152 9 HE1 MET 1 3HE MET 1 6.485 19.170 -2.669 10 HE2 MET 1 1HE MET 1 6.367 18.701 -0.975 11 HE3 MET 1 2HE MET 1 4.967 18.528 -2.039 12 H GLY 2 H GLY 2 3.864 13.856 0.111 13 HA2 GLY 2 2HA GLY 2 3.861 11.668 -0.770 14 HA3 GLY 2 3HA GLY 2 5.296 11.277 0.174 15 H LYS 3 H LYS 3 2.177 10.444 -0.065 16 HA LYS 3 HA LYS 3 1.978 9.664 2.760 17 HB2 LYS 3 2HB LYS 3 0.656 11.778 2.508 18 HB3 LYS 3 3HB LYS 3 -0.289 11.028 1.225 19 HG2 LYS 3 2HG LYS 3 -1.190 9.385 2.812 20 HG3 LYS 3 3HG LYS 3 -0.199 10.061 4.108 21 HD2 LYS 3 2HD LYS 3 -1.436 12.170 4.013 22 HD3 LYS 3 3HD LYS 3 -2.337 11.621 2.598 23 HE2 LYS 3 2HE LYS 3 -3.454 9.903 3.936 24 HE3 LYS 3 3HE LYS 3 -2.496 10.344 5.353 25 HZ1 LYS 3 3HZ LYS 3 -3.548 12.484 5.398 26 HZ2 LYS 3 1HZ LYS 3 -4.748 11.296 5.371 27 HZ3 LYS 3 2HZ LYS 3 -4.390 12.172 3.971 28 H VAL 4 H VAL 4 1.361 7.547 2.911 29 HA VAL 4 HA VAL 4 0.259 6.193 0.534 30 HB VAL 4 HB VAL 4 2.745 6.088 0.395 31 HG11 VAL 4 1HG1 VAL 4 2.642 4.465 2.936 32 HG12 VAL 4 2HG1 VAL 4 3.320 6.089 2.767 33 HG13 VAL 4 3HG1 VAL 4 4.066 4.728 1.923 34 HG21 VAL 4 3HG2 VAL 4 1.443 3.392 0.860 35 HG22 VAL 4 1HG2 VAL 4 2.927 3.679 -0.053 36 HG23 VAL 4 2HG2 VAL 4 1.393 4.322 -0.640 37 H LEU 5 H LEU 5 -0.919 4.363 0.915 38 HA LEU 5 HA LEU 5 -1.500 3.605 3.709 39 HB2 LEU 5 2HB LEU 5 -3.420 4.391 2.326 40 HB3 LEU 5 3HB LEU 5 -3.112 3.104 1.174 41 HG LEU 5 HG LEU 5 -3.640 1.409 2.941 42 HD11 LEU 5 1HD1 LEU 5 -3.010 2.657 4.926 43 HD12 LEU 5 2HD1 LEU 5 -4.679 2.107 5.057 44 HD13 LEU 5 3HD1 LEU 5 -4.336 3.797 4.672 45 HD21 LEU 5 3HD2 LEU 5 -5.412 2.126 1.407 46 HD22 LEU 5 1HD2 LEU 5 -5.855 3.439 2.502 47 HD23 LEU 5 2HD2 LEU 5 -6.071 1.758 3.000 48 H LEU 6 H LEU 6 0.009 2.093 4.146 49 HA LEU 6 HA LEU 6 0.760 -0.075 2.429 50 HB2 LEU 6 2HB LEU 6 2.250 0.913 4.168 51 HB3 LEU 6 3HB LEU 6 1.151 0.359 5.420 52 HG LEU 6 HG LEU 6 1.658 -2.018 4.761 53 HD11 LEU 6 1HD1 LEU 6 3.596 -2.483 3.319 54 HD12 LEU 6 2HD1 LEU 6 3.721 -0.765 2.930 55 HD13 LEU 6 3HD1 LEU 6 2.294 -1.683 2.441 56 HD21 LEU 6 3HD2 LEU 6 4.059 -0.342 5.561 57 HD22 LEU 6 1HD2 LEU 6 3.908 -2.090 5.768 58 HD23 LEU 6 2HD2 LEU 6 2.831 -1.005 6.643 59 H VAL 7 H VAL 7 -1.207 -1.086 1.882 60 HA VAL 7 HA VAL 7 -2.995 -2.235 3.847 61 HB VAL 7 HB VAL 7 -2.830 -2.763 0.836 62 HG11 VAL 7 1HG1 VAL 7 -5.078 -3.400 2.794 63 HG12 VAL 7 2HG1 VAL 7 -4.030 -4.573 1.991 64 HG13 VAL 7 3HG1 VAL 7 -5.158 -3.605 1.041 65 HG21 VAL 7 3HG2 VAL 7 -4.701 -1.166 0.608 66 HG22 VAL 7 1HG2 VAL 7 -3.269 -0.387 1.287 67 HG23 VAL 7 2HG2 VAL 7 -4.622 -0.816 2.337 68 H ILE 8 H ILE 8 -2.036 -3.779 5.084 69 HA ILE 8 HA ILE 8 -0.516 -5.966 3.828 70 HB ILE 8 HB ILE 8 -0.856 -5.426 6.818 71 HG12 ILE 8 2HG1 ILE 8 1.456 -4.615 4.985 72 HG13 ILE 8 3HG1 ILE 8 0.324 -3.514 5.760 73 HG21 ILE 8 1HG2 ILE 8 1.076 -6.964 7.066 74 HG22 ILE 8 2HG2 ILE 8 1.113 -7.212 5.320 75 HG23 ILE 8 3HG2 ILE 8 -0.274 -7.768 6.257 76 HD11 ILE 8 3HD1 ILE 8 2.452 -3.532 6.897 77 HD12 ILE 8 1HD1 ILE 8 2.329 -5.271 7.167 78 HD13 ILE 8 2HD1 ILE 8 1.188 -4.171 7.947 79 H SER 9 H SER 9 -1.718 -7.626 3.227 80 HA SER 9 HA SER 9 -3.757 -8.727 5.059 81 HB2 SER 9 2HB SER 9 -4.005 -8.771 2.023 82 HB3 SER 9 3HB SER 9 -5.218 -9.261 3.203 83 HG SER 9 HG SER 9 -4.842 -6.856 3.862 84 H THR 10 H THR 10 -3.556 -10.893 5.373 85 HA THR 10 HA THR 10 -1.330 -12.388 4.490 86 HB THR 10 HB THR 10 -3.962 -13.423 5.643 87 HG1 THR 10 HG1 THR 10 -1.964 -13.218 7.442 88 HG21 THR 10 3HG2 THR 10 -1.167 -14.634 5.721 89 HG22 THR 10 1HG2 THR 10 -2.516 -15.232 4.743 90 HG23 THR 10 2HG2 THR 10 -2.600 -15.299 6.503 91 H ASP 11 H ASP 11 -4.779 -12.492 3.624 92 HA ASP 11 HA ASP 11 -4.580 -14.509 1.606 93 HB2 ASP 11 2HB ASP 11 -6.802 -12.489 2.147 94 HB3 ASP 11 3HB ASP 11 -6.941 -13.883 1.080 95 H THR 12 H THR 12 -3.350 -14.033 -0.162 96 HA THR 12 HA THR 12 -3.193 -11.493 -1.442 97 HB THR 12 HB THR 12 -2.043 -12.741 -3.300 98 HG1 THR 12 HG1 THR 12 -2.784 -14.758 -3.419 99 HG21 THR 12 3HG2 THR 12 -0.103 -13.495 -1.964 100 HG22 THR 12 1HG2 THR 12 -1.091 -13.470 -0.503 101 HG23 THR 12 2HG2 THR 12 -0.733 -11.963 -1.352 102 H ASN 13 H ASN 13 -5.441 -14.113 -1.692 103 HA ASN 13 HA ASN 13 -6.710 -13.546 -4.143 104 HB2 ASN 13 2HB ASN 13 -7.870 -14.707 -1.560 105 HB3 ASN 13 3HB ASN 13 -8.734 -14.666 -3.098 106 HD21 ASN 13 1HD2 ASN 13 -8.919 -16.910 -3.136 107 HD22 ASN 13 2HD2 ASN 13 -7.578 -17.950 -3.456 108 H ILE 14 H ILE 14 -7.269 -12.341 -0.845 109 HA ILE 14 HA ILE 14 -9.430 -10.592 -1.449 110 HB ILE 14 HB ILE 14 -7.496 -10.636 0.909 111 HG12 ILE 14 2HG1 ILE 14 -8.855 -12.654 0.847 112 HG13 ILE 14 3HG1 ILE 14 -9.464 -11.637 2.143 113 HG21 ILE 14 1HG2 ILE 14 -10.037 -8.997 0.641 114 HG22 ILE 14 2HG2 ILE 14 -8.391 -8.366 0.716 115 HG23 ILE 14 3HG2 ILE 14 -9.090 -9.175 2.119 116 HD11 ILE 14 3HD1 ILE 14 -11.327 -10.941 0.665 117 HD12 ILE 14 1HD1 ILE 14 -11.281 -12.676 0.971 118 HD13 ILE 14 2HD1 ILE 14 -10.719 -12.043 -0.573 119 H ILE 15 H ILE 15 -5.913 -10.099 -1.098 120 HA ILE 15 HA ILE 15 -5.665 -7.364 -1.505 121 HB ILE 15 HB ILE 15 -3.816 -9.616 -2.419 122 HG12 ILE 15 2HG1 ILE 15 -3.670 -7.810 0.039 123 HG13 ILE 15 3HG1 ILE 15 -4.248 -9.472 0.040 124 HG21 ILE 15 1HG2 ILE 15 -3.281 -7.620 -3.733 125 HG22 ILE 15 2HG2 ILE 15 -2.004 -7.919 -2.553 126 HG23 ILE 15 3HG2 ILE 15 -3.193 -6.647 -2.265 127 HD11 ILE 15 3HD1 ILE 15 -2.010 -9.368 0.881 128 HD12 ILE 15 1HD1 ILE 15 -1.449 -8.553 -0.580 129 HD13 ILE 15 2HD1 ILE 15 -2.017 -10.222 -0.660 130 H SER 16 H SER 16 -5.820 -9.978 -3.916 131 HA SER 16 HA SER 16 -5.517 -8.479 -6.264 132 HB2 SER 16 2HB SER 16 -5.356 -10.957 -6.187 133 HB3 SER 16 3HB SER 16 -7.087 -11.067 -5.864 134 HG SER 16 HG SER 16 -7.439 -10.068 -7.910 135 H SER 17 H SER 17 -8.457 -9.485 -4.502 136 HA SER 17 HA SER 17 -10.384 -8.564 -6.314 137 HB2 SER 17 2HB SER 17 -10.625 -8.877 -3.290 138 HB3 SER 17 3HB SER 17 -11.972 -8.826 -4.439 139 HG SER 17 HG SER 17 -10.260 -10.690 -5.257 140 H VAL 18 H VAL 18 -9.007 -6.966 -3.437 141 HA VAL 18 HA VAL 18 -10.622 -4.625 -3.501 142 HB VAL 18 HB VAL 18 -7.873 -5.011 -2.224 143 HG11 VAL 18 1HG1 VAL 18 -8.479 -2.627 -2.393 144 HG12 VAL 18 2HG1 VAL 18 -8.520 -3.160 -0.713 145 HG13 VAL 18 3HG1 VAL 18 -10.027 -2.949 -1.606 146 HG21 VAL 18 3HG2 VAL 18 -9.487 -6.701 -1.458 147 HG22 VAL 18 1HG2 VAL 18 -10.629 -5.432 -1.023 148 HG23 VAL 18 2HG2 VAL 18 -9.093 -5.572 -0.161 149 H GLN 19 H GLN 19 -7.343 -5.362 -4.598 150 HA GLN 19 HA GLN 19 -6.486 -2.851 -5.457 151 HB2 GLN 19 2HB GLN 19 -4.990 -4.776 -5.154 152 HB3 GLN 19 3HB GLN 19 -5.784 -5.638 -6.465 153 HG2 GLN 19 2HG GLN 19 -4.960 -3.860 -8.040 154 HG3 GLN 19 3HG GLN 19 -4.055 -3.162 -6.698 155 HE21 GLN 19 1HE2 GLN 19 -3.274 -5.709 -5.509 156 HE22 GLN 19 2HE2 GLN 19 -2.105 -6.398 -6.574 157 H GLU 20 H GLU 20 -8.146 -5.457 -7.244 158 HA GLU 20 HA GLU 20 -8.191 -4.183 -9.790 159 HB2 GLU 20 2HB GLU 20 -9.832 -6.477 -8.645 160 HB3 GLU 20 3HB GLU 20 -9.943 -5.956 -10.327 161 HG2 GLU 20 2HG GLU 20 -7.580 -6.510 -10.692 162 HG3 GLU 20 3HG GLU 20 -7.398 -6.953 -8.994 163 H ARG 21 H ARG 21 -10.608 -4.428 -7.166 164 HA ARG 21 HA ARG 21 -12.718 -3.069 -8.486 165 HB2 ARG 21 2HB ARG 21 -12.145 -3.619 -5.549 166 HB3 ARG 21 3HB ARG 21 -13.563 -2.699 -6.045 167 HG2 ARG 21 2HG ARG 21 -12.951 -5.544 -6.919 168 HG3 ARG 21 3HG ARG 21 -14.065 -5.094 -5.625 169 HD2 ARG 21 2HD ARG 21 -15.488 -3.902 -7.245 170 HD3 ARG 21 3HD ARG 21 -14.356 -4.286 -8.545 171 HE ARG 21 HE ARG 21 -15.206 -6.679 -7.324 172 HH11 ARG 21 1HH1 ARG 21 -16.507 -4.151 -9.405 173 HH12 ARG 21 2HH1 ARG 21 -17.669 -5.200 -10.151 174 HH21 ARG 21 1HH2 ARG 21 -16.722 -8.037 -8.322 175 HH22 ARG 21 2HH2 ARG 21 -17.791 -7.406 -9.536 176 H ALA 22 H ALA 22 -10.023 -1.943 -6.524 177 HA ALA 22 HA ALA 22 -10.982 0.748 -6.178 178 HB1 ALA 22 3HB ALA 22 -9.546 -0.323 -4.494 179 HB2 ALA 22 1HB ALA 22 -8.800 1.152 -5.113 180 HB3 ALA 22 2HB ALA 22 -8.227 -0.427 -5.662 181 H LYS 23 H LYS 23 -8.643 -0.867 -8.336 182 HA LYS 23 HA LYS 23 -7.735 1.540 -9.627 183 HB2 LYS 23 2HB LYS 23 -7.421 -1.402 -10.361 184 HB3 LYS 23 3HB LYS 23 -6.747 -0.098 -11.339 185 HG2 LYS 23 2HG LYS 23 -5.390 0.643 -9.382 186 HG3 LYS 23 3HG LYS 23 -6.038 -0.706 -8.446 187 HD2 LYS 23 2HD LYS 23 -3.784 -1.210 -9.310 188 HD3 LYS 23 3HD LYS 23 -4.988 -2.313 -9.977 189 HE2 LYS 23 2HE LYS 23 -3.325 -1.538 -11.668 190 HE3 LYS 23 3HE LYS 23 -4.980 -1.105 -12.102 191 HZ1 LYS 23 3HZ LYS 23 -4.561 1.132 -11.279 192 HZ2 LYS 23 1HZ LYS 23 -3.447 0.719 -12.477 193 HZ3 LYS 23 2HZ LYS 23 -2.984 0.709 -10.853 194 H HIS 24 H HIS 24 -10.305 -0.781 -10.219 195 HA HIS 24 HA HIS 24 -10.928 0.107 -12.890 196 HB2 HIS 24 2HB HIS 24 -11.461 -2.198 -12.099 197 HB3 HIS 24 3HB HIS 24 -12.598 -1.536 -10.933 198 HD1 HIS 24 HD1 HIS 24 -12.173 -2.275 -14.571 199 HD2 HIS 24 HD2 HIS 24 -15.086 -0.758 -12.024 200 HE1 HIS 24 HE1 HIS 24 -14.294 -2.220 -15.916 201 HE2 HIS 24 HE2 HIS 24 -15.982 -1.131 -14.407 202 H ASN 25 H ASN 25 -12.224 0.700 -9.629 203 HA ASN 25 HA ASN 25 -14.323 2.484 -10.447 204 HB2 ASN 25 2HB ASN 25 -14.255 1.174 -8.253 205 HB3 ASN 25 3HB ASN 25 -13.035 2.300 -7.674 206 HD21 ASN 25 1HD2 ASN 25 -13.689 4.543 -7.407 207 HD22 ASN 25 2HD2 ASN 25 -15.344 4.937 -7.115 208 H TYR 26 H TYR 26 -10.954 2.813 -9.564 209 HA TYR 26 HA TYR 26 -11.011 5.731 -10.091 210 HB2 TYR 26 2HB TYR 26 -9.289 4.297 -8.022 211 HB3 TYR 26 3HB TYR 26 -9.245 6.010 -8.397 212 HD1 TYR 26 HD1 TYR 26 -11.567 7.293 -8.117 213 HD2 TYR 26 HD2 TYR 26 -10.580 3.619 -6.154 214 HE1 TYR 26 HE1 TYR 26 -13.263 7.751 -6.394 215 HE2 TYR 26 HE2 TYR 26 -12.274 4.078 -4.438 216 HH TYR 26 HH TYR 26 -14.682 6.345 -4.809 217 HA PRO 27 HA PRO 27 -7.951 3.783 -13.028 218 HB2 PRO 27 2HB PRO 27 -8.667 5.187 -15.252 219 HB3 PRO 27 3HB PRO 27 -9.600 3.777 -14.699 220 HG2 PRO 27 2HG PRO 27 -10.175 6.699 -14.249 221 HG3 PRO 27 3HG PRO 27 -11.281 5.408 -14.777 222 HD2 PRO 27 2HD PRO 27 -11.163 6.249 -12.181 223 HD3 PRO 27 3HD PRO 27 -11.556 4.571 -12.619 224 H GLY 28 H GLY 28 -8.566 6.951 -11.840 225 HA2 GLY 28 2HA GLY 28 -5.991 8.019 -12.869 226 HA3 GLY 28 3HA GLY 28 -7.402 8.990 -12.465 227 H ARG 29 H ARG 29 -6.306 6.295 -10.471 228 HA ARG 29 HA ARG 29 -5.193 8.183 -8.469 229 HB2 ARG 29 2HB ARG 29 -6.998 5.782 -7.958 230 HB3 ARG 29 3HB ARG 29 -6.059 6.557 -6.689 231 HG2 ARG 29 2HG ARG 29 -8.118 8.035 -8.356 232 HG3 ARG 29 3HG ARG 29 -8.506 7.220 -6.843 233 HD2 ARG 29 2HD ARG 29 -8.202 9.578 -6.426 234 HD3 ARG 29 3HD ARG 29 -6.882 8.677 -5.673 235 HE ARG 29 HE ARG 29 -6.286 9.698 -8.312 236 HH11 ARG 29 1HH1 ARG 29 -6.256 10.430 -4.899 237 HH12 ARG 29 2HH1 ARG 29 -5.024 11.638 -5.038 238 HH21 ARG 29 1HH2 ARG 29 -4.636 11.243 -8.501 239 HH22 ARG 29 2HH2 ARG 29 -4.100 12.101 -7.093 240 H GLU 30 H GLU 30 -3.570 7.345 -7.110 241 HA GLU 30 HA GLU 30 -1.754 5.566 -8.518 242 HB2 GLU 30 2HB GLU 30 -1.375 7.295 -6.036 243 HB3 GLU 30 3HB GLU 30 -0.093 6.442 -6.890 244 HG2 GLU 30 2HG GLU 30 -1.776 8.714 -7.979 245 HG3 GLU 30 3HG GLU 30 -0.100 8.823 -7.441 246 H ILE 31 H ILE 31 -1.716 3.467 -8.056 247 HA ILE 31 HA ILE 31 -2.044 2.437 -5.311 248 HB ILE 31 HB ILE 31 -3.600 1.491 -7.768 249 HG12 ILE 31 2HG1 ILE 31 -4.567 2.399 -5.015 250 HG13 ILE 31 3HG1 ILE 31 -4.622 3.370 -6.479 251 HG21 ILE 31 1HG2 ILE 31 -3.357 0.048 -5.103 252 HG22 ILE 31 2HG2 ILE 31 -2.719 -0.509 -6.651 253 HG23 ILE 31 3HG2 ILE 31 -4.461 -0.394 -6.408 254 HD11 ILE 31 3HD1 ILE 31 -6.789 2.488 -5.973 255 HD12 ILE 31 1HD1 ILE 31 -6.166 0.838 -5.955 256 HD13 ILE 31 2HD1 ILE 31 -6.190 1.758 -7.462 257 H ARG 32 H ARG 32 -0.314 1.204 -4.883 258 HA ARG 32 HA ARG 32 1.237 -0.106 -7.028 259 HB2 ARG 32 2HB ARG 32 1.983 0.948 -4.288 260 HB3 ARG 32 3HB ARG 32 2.939 -0.349 -4.988 261 HG2 ARG 32 2HG ARG 32 2.494 2.372 -6.242 262 HG3 ARG 32 3HG ARG 32 3.943 1.844 -5.384 263 HD2 ARG 32 2HD ARG 32 4.136 -0.020 -7.128 264 HD3 ARG 32 3HD ARG 32 2.879 0.830 -8.036 265 HE ARG 32 HE ARG 32 4.372 2.716 -8.243 266 HH11 ARG 32 1HH1 ARG 32 5.902 -0.296 -7.234 267 HH12 ARG 32 2HH1 ARG 32 7.483 0.200 -7.736 268 HH21 ARG 32 1HH2 ARG 32 6.476 3.370 -8.821 269 HH22 ARG 32 2HH2 ARG 32 7.806 2.274 -8.631 270 H THR 33 H THR 33 2.356 -2.099 -6.318 271 HA THR 33 HA THR 33 0.934 -3.836 -4.439 272 HB THR 33 HB THR 33 1.449 -4.651 -7.348 273 HG1 THR 33 HG1 THR 33 -0.880 -3.747 -6.007 274 HG21 THR 33 3HG2 THR 33 -0.069 -6.084 -5.134 275 HG22 THR 33 1HG2 THR 33 1.526 -6.549 -5.753 276 HG23 THR 33 2HG2 THR 33 0.110 -6.647 -6.796 277 H ALA 34 H ALA 34 2.679 -4.106 -3.115 278 HA ALA 34 HA ALA 34 5.392 -4.215 -4.116 279 HB1 ALA 34 3HB ALA 34 4.332 -4.433 -1.292 280 HB2 ALA 34 1HB ALA 34 4.893 -2.959 -2.082 281 HB3 ALA 34 2HB ALA 34 6.031 -4.265 -1.743 282 H THR 35 H THR 35 6.347 -6.008 -4.740 283 HA THR 35 HA THR 35 5.463 -8.651 -3.952 284 HB THR 35 HB THR 35 6.205 -8.389 -6.244 285 HG1 THR 35 HG1 THR 35 6.747 -10.367 -5.025 286 HG21 THR 35 3HG2 THR 35 8.535 -7.875 -6.878 287 HG22 THR 35 1HG2 THR 35 8.939 -7.581 -5.183 288 HG23 THR 35 2HG2 THR 35 7.797 -6.523 -6.016 289 H SER 36 H SER 36 8.353 -6.596 -3.358 290 HA SER 36 HA SER 36 8.955 -7.679 -0.808 291 HB2 SER 36 2HB SER 36 9.637 -9.649 -2.220 292 HB3 SER 36 3HB SER 36 10.793 -8.628 -3.063 293 HG SER 36 HG SER 36 10.821 -9.061 -0.255 294 H SER 37 H SER 37 11.649 -7.112 -0.568 295 HA SER 37 HA SER 37 11.524 -4.467 0.124 296 HB2 SER 37 2HB SER 37 14.021 -6.143 -0.322 297 HB3 SER 37 3HB SER 37 14.003 -4.590 0.516 298 HG SER 37 HG SER 37 12.115 -6.161 1.568 299 H GLN 38 H GLN 38 12.920 -5.711 -2.950 300 HA GLN 38 HA GLN 38 14.265 -3.312 -3.656 301 HB2 GLN 38 2HB GLN 38 14.743 -5.523 -4.732 302 HB3 GLN 38 3HB GLN 38 13.198 -5.439 -5.566 303 HG2 GLN 38 2HG GLN 38 14.989 -4.798 -7.088 304 HG3 GLN 38 3HG GLN 38 13.969 -3.397 -6.763 305 HE21 GLN 38 1HE2 GLN 38 17.130 -4.812 -6.303 306 HE22 GLN 38 2HE2 GLN 38 17.896 -3.391 -5.689 307 H ASP 39 H ASP 39 11.013 -4.539 -4.404 308 HA ASP 39 HA ASP 39 10.202 -2.327 -6.023 309 HB2 ASP 39 2HB ASP 39 9.110 -4.591 -6.112 310 HB3 ASP 39 3HB ASP 39 8.397 -4.280 -4.530 311 H ILE 40 H ILE 40 9.897 -3.131 -2.572 312 HA ILE 40 HA ILE 40 8.295 -1.104 -1.576 313 HB ILE 40 HB ILE 40 10.758 -2.450 -0.400 314 HG12 ILE 40 2HG1 ILE 40 8.732 -3.882 -0.744 315 HG13 ILE 40 3HG1 ILE 40 9.200 -3.766 0.946 316 HG21 ILE 40 1HG2 ILE 40 10.153 -1.571 1.837 317 HG22 ILE 40 2HG2 ILE 40 8.950 -0.524 1.081 318 HG23 ILE 40 3HG2 ILE 40 10.663 -0.304 0.716 319 HD11 ILE 40 3HD1 ILE 40 6.798 -3.702 0.675 320 HD12 ILE 40 1HD1 ILE 40 6.921 -2.283 -0.364 321 HD13 ILE 40 2HD1 ILE 40 7.381 -2.177 1.339 322 H ARG 41 H ARG 41 11.808 -0.989 -2.250 323 HA ARG 41 HA ARG 41 12.220 1.708 -1.405 324 HB2 ARG 41 2HB ARG 41 13.956 0.120 -3.349 325 HB3 ARG 41 3HB ARG 41 14.442 1.522 -2.388 326 HG2 ARG 41 2HG ARG 41 14.020 0.162 -0.315 327 HG3 ARG 41 3HG ARG 41 13.717 -1.228 -1.354 328 HD2 ARG 41 2HD ARG 41 16.071 -0.880 -2.291 329 HD3 ARG 41 3HD ARG 41 16.321 0.275 -0.973 330 HE ARG 41 HE ARG 41 16.439 -2.541 -0.812 331 HH11 ARG 41 1HH1 ARG 41 15.307 0.187 1.156 332 HH12 ARG 41 2HH1 ARG 41 15.493 -0.695 2.642 333 HH21 ARG 41 1HH2 ARG 41 16.603 -3.640 1.148 334 HH22 ARG 41 2HH2 ARG 41 16.216 -2.832 2.633 335 H ASP 42 H ASP 42 11.631 0.158 -4.530 336 HA ASP 42 HA ASP 42 11.939 2.321 -6.278 337 HB2 ASP 42 2HB ASP 42 11.789 -0.002 -7.059 338 HB3 ASP 42 3HB ASP 42 10.138 -0.136 -6.467 339 H ILE 43 H ILE 43 9.109 1.238 -4.456 340 HA ILE 43 HA ILE 43 7.119 2.932 -5.506 341 HB ILE 43 HB ILE 43 7.367 1.631 -2.751 342 HG12 ILE 43 2HG1 ILE 43 5.663 0.798 -5.143 343 HG13 ILE 43 3HG1 ILE 43 7.201 0.067 -4.723 344 HG21 ILE 43 1HG2 ILE 43 4.957 2.056 -2.438 345 HG22 ILE 43 2HG2 ILE 43 4.911 2.966 -3.944 346 HG23 ILE 43 3HG2 ILE 43 5.856 3.566 -2.580 347 HD11 ILE 43 3HD1 ILE 43 5.391 -1.327 -4.000 348 HD12 ILE 43 1HD1 ILE 43 4.682 -0.003 -3.076 349 HD13 ILE 43 2HD1 ILE 43 6.235 -0.689 -2.590 350 H ILE 44 H ILE 44 9.029 3.202 -2.505 351 HA ILE 44 HA ILE 44 7.903 5.685 -1.684 352 HB ILE 44 HB ILE 44 10.355 4.167 -0.679 353 HG12 ILE 44 2HG1 ILE 44 7.483 4.269 0.387 354 HG13 ILE 44 3HG1 ILE 44 8.168 2.938 -0.538 355 HG21 ILE 44 1HG2 ILE 44 10.175 5.502 1.402 356 HG22 ILE 44 2HG2 ILE 44 8.884 6.462 0.677 357 HG23 ILE 44 3HG2 ILE 44 10.515 6.536 0.009 358 HD11 ILE 44 3HD1 ILE 44 8.073 2.419 1.809 359 HD12 ILE 44 1HD1 ILE 44 9.052 3.836 2.194 360 HD13 ILE 44 2HD1 ILE 44 9.748 2.505 1.263 361 H LYS 45 H LYS 45 10.816 4.818 -3.460 362 HA LYS 45 HA LYS 45 12.057 7.389 -3.511 363 HB2 LYS 45 2HB LYS 45 13.198 5.168 -4.008 364 HB3 LYS 45 3HB LYS 45 12.350 5.132 -5.542 365 HG2 LYS 45 2HG LYS 45 14.535 5.871 -6.044 366 HG3 LYS 45 3HG LYS 45 13.533 7.317 -6.121 367 HD2 LYS 45 2HD LYS 45 15.004 6.669 -3.550 368 HD3 LYS 45 3HD LYS 45 15.899 7.357 -4.903 369 HE2 LYS 45 2HE LYS 45 13.484 8.637 -3.568 370 HE3 LYS 45 3HE LYS 45 15.168 9.093 -3.303 371 HZ1 LYS 45 3HZ LYS 45 13.663 9.311 -5.856 372 HZ2 LYS 45 1HZ LYS 45 15.312 9.639 -5.680 373 HZ3 LYS 45 2HZ LYS 45 14.175 10.580 -4.871 374 H SER 46 H SER 46 9.630 5.761 -5.492 375 HA SER 46 HA SER 46 9.434 7.786 -7.531 376 HB2 SER 46 2HB SER 46 8.803 5.389 -7.904 377 HB3 SER 46 3HB SER 46 7.430 5.601 -6.819 378 HG SER 46 HG SER 46 7.852 7.227 -9.098 379 H MET 47 H MET 47 7.989 7.289 -4.370 380 HA MET 47 HA MET 47 5.930 9.294 -4.581 381 HB2 MET 47 2HB MET 47 7.278 8.210 -2.067 382 HB3 MET 47 3HB MET 47 5.794 9.155 -2.120 383 HG2 MET 47 2HG MET 47 4.816 7.272 -3.520 384 HG3 MET 47 3HG MET 47 6.233 6.331 -3.058 385 HE1 MET 47 3HE MET 47 3.079 7.954 -0.139 386 HE2 MET 47 1HE MET 47 2.969 8.097 -1.891 387 HE3 MET 47 2HE MET 47 4.196 9.006 -1.003 388 H LYS 48 H LYS 48 9.303 9.218 -3.689 389 HA LYS 48 HA LYS 48 9.416 12.027 -2.965 390 HB2 LYS 48 2HB LYS 48 11.574 9.909 -3.274 391 HB3 LYS 48 3HB LYS 48 11.870 11.559 -2.725 392 HG2 LYS 48 2HG LYS 48 10.125 9.498 -1.334 393 HG3 LYS 48 3HG LYS 48 11.730 10.026 -0.822 394 HD2 LYS 48 2HD LYS 48 9.238 11.784 -0.942 395 HD3 LYS 48 3HD LYS 48 9.935 11.085 0.520 396 HE2 LYS 48 2HE LYS 48 11.271 13.132 -1.289 397 HE3 LYS 48 3HE LYS 48 10.580 13.438 0.305 398 HZ1 LYS 48 3HZ LYS 48 12.221 11.956 1.261 399 HZ2 LYS 48 1HZ LYS 48 12.970 13.204 0.412 400 HZ3 LYS 48 2HZ LYS 48 12.892 11.655 -0.260 401 H ASP 49 H ASP 49 9.596 10.232 -5.878 402 HA ASP 49 HA ASP 49 10.935 12.245 -7.446 403 HB2 ASP 49 2HB ASP 49 10.836 9.934 -8.270 404 HB3 ASP 49 3HB ASP 49 9.077 9.950 -8.234 405 H ASN 50 H ASN 50 7.504 11.198 -7.298 406 HA ASN 50 HA ASN 50 6.629 14.038 -7.316 407 HB2 ASN 50 2HB ASN 50 5.168 11.701 -8.644 408 HB3 ASN 50 3HB ASN 50 4.545 13.338 -8.510 409 HD21 ASN 50 1HD2 ASN 50 7.352 14.395 -9.160 410 HD22 ASN 50 2HD2 ASN 50 7.457 14.208 -10.870 411 H GLY 51 H GLY 51 5.408 14.556 -5.561 412 HA2 GLY 51 2HA GLY 51 5.024 12.674 -3.428 413 HA3 GLY 51 3HA GLY 51 4.531 14.361 -3.442 414 H LYS 52 H LYS 52 3.645 11.119 -4.393 415 HA LYS 52 HA LYS 52 0.943 11.983 -5.209 416 HB2 LYS 52 2HB LYS 52 0.887 9.790 -6.453 417 HB3 LYS 52 3HB LYS 52 2.108 10.925 -7.011 418 HG2 LYS 52 2HG LYS 52 3.852 9.645 -5.778 419 HG3 LYS 52 3HG LYS 52 2.617 8.496 -5.256 420 HD2 LYS 52 2HD LYS 52 3.894 7.631 -7.191 421 HD3 LYS 52 3HD LYS 52 2.186 7.847 -7.583 422 HE2 LYS 52 2HE LYS 52 2.795 10.047 -8.664 423 HE3 LYS 52 3HE LYS 52 4.493 9.651 -8.398 424 HZ1 LYS 52 3HZ LYS 52 3.772 9.087 -10.639 425 HZ2 LYS 52 1HZ LYS 52 2.575 8.058 -10.025 426 HZ3 LYS 52 2HZ LYS 52 4.207 7.693 -9.787 427 HA PRO 53 HA PRO 53 -0.790 9.644 -1.741 428 HB2 PRO 53 2HB PRO 53 -3.404 9.519 -2.550 429 HB3 PRO 53 3HB PRO 53 -2.662 11.034 -1.986 430 HG2 PRO 53 2HG PRO 53 -3.150 10.111 -4.802 431 HG3 PRO 53 3HG PRO 53 -3.414 11.716 -4.083 432 HD2 PRO 53 2HD PRO 53 -1.204 11.103 -5.583 433 HD3 PRO 53 3HD PRO 53 -1.187 12.323 -4.292 434 H LEU 54 H LEU 54 0.296 7.676 -2.007 435 HA LEU 54 HA LEU 54 -0.639 5.780 -4.068 436 HB2 LEU 54 2HB LEU 54 1.963 6.293 -2.744 437 HB3 LEU 54 3HB LEU 54 1.585 4.582 -2.822 438 HG LEU 54 HG LEU 54 1.698 6.462 -5.219 439 HD11 LEU 54 1HD1 LEU 54 3.640 4.292 -4.383 440 HD12 LEU 54 2HD1 LEU 54 3.925 6.029 -4.375 441 HD13 LEU 54 3HD1 LEU 54 3.689 5.195 -5.900 442 HD21 LEU 54 3HD2 LEU 54 1.406 4.490 -6.593 443 HD22 LEU 54 1HD2 LEU 54 0.040 4.670 -5.501 444 HD23 LEU 54 2HD2 LEU 54 1.280 3.462 -5.163 445 H VAL 55 H VAL 55 -1.245 3.660 -3.605 446 HA VAL 55 HA VAL 55 -1.723 2.937 -0.759 447 HB VAL 55 HB VAL 55 -3.540 2.200 -3.122 448 HG11 VAL 55 1HG1 VAL 55 -3.504 0.473 -1.368 449 HG12 VAL 55 2HG1 VAL 55 -5.067 1.290 -1.398 450 HG13 VAL 55 3HG1 VAL 55 -3.889 1.684 -0.142 451 HG21 VAL 55 3HG2 VAL 55 -5.240 3.699 -2.118 452 HG22 VAL 55 1HG2 VAL 55 -3.793 4.596 -2.591 453 HG23 VAL 55 2HG2 VAL 55 -4.074 4.207 -0.892 454 H VAL 56 H VAL 56 -0.064 1.526 -0.430 455 HA VAL 56 HA VAL 56 0.836 -0.311 -2.529 456 HB VAL 56 HB VAL 56 1.934 0.283 0.258 457 HG11 VAL 56 1HG1 VAL 56 3.134 -1.521 -1.888 458 HG12 VAL 56 2HG1 VAL 56 2.500 -2.048 -0.327 459 HG13 VAL 56 3HG1 VAL 56 3.942 -1.032 -0.395 460 HG21 VAL 56 3HG2 VAL 56 3.017 0.998 -2.489 461 HG22 VAL 56 1HG2 VAL 56 3.729 1.437 -0.934 462 HG23 VAL 56 2HG2 VAL 56 2.167 2.106 -1.409 463 H PHE 57 H PHE 57 -0.405 -2.085 -2.736 464 HA PHE 57 HA PHE 57 -1.314 -3.677 -0.468 465 HB2 PHE 57 2HB PHE 57 -1.384 -4.103 -3.491 466 HB3 PHE 57 3HB PHE 57 -2.024 -5.260 -2.335 467 HD1 PHE 57 HD1 PHE 57 -2.484 -1.842 -3.735 468 HD2 PHE 57 HD2 PHE 57 -4.165 -4.932 -1.298 469 HE1 PHE 57 HE1 PHE 57 -4.647 -0.668 -3.721 470 HE2 PHE 57 HE2 PHE 57 -6.310 -3.748 -1.292 471 HZ PHE 57 HZ PHE 57 -6.557 -1.619 -2.503 472 H VAL 58 H VAL 58 0.366 -4.697 0.635 473 HA VAL 58 HA VAL 58 2.614 -5.862 -0.834 474 HB VAL 58 HB VAL 58 3.447 -6.637 1.407 475 HG11 VAL 58 1HG1 VAL 58 4.070 -4.381 2.252 476 HG12 VAL 58 2HG1 VAL 58 2.870 -3.668 1.170 477 HG13 VAL 58 3HG1 VAL 58 4.254 -4.534 0.505 478 HG21 VAL 58 3HG2 VAL 58 1.096 -5.089 2.549 479 HG22 VAL 58 1HG2 VAL 58 2.440 -5.759 3.482 480 HG23 VAL 58 2HG2 VAL 58 1.330 -6.836 2.633 481 H ASN 59 H ASN 59 2.324 -7.710 -1.855 482 HA ASN 59 HA ASN 59 0.209 -9.559 -1.245 483 HB2 ASN 59 2HB ASN 59 2.437 -9.621 -3.313 484 HB3 ASN 59 3HB ASN 59 1.299 -10.954 -3.113 485 HD21 ASN 59 1HD2 ASN 59 0.434 -10.676 -5.177 486 HD22 ASN 59 2HD2 ASN 59 -0.574 -9.338 -5.589 487 H GLY 60 H GLY 60 0.640 -10.134 0.874 488 HA2 GLY 60 2HA GLY 60 1.391 -11.457 2.576 489 HA3 GLY 60 3HA GLY 60 1.849 -12.598 1.318 490 H ALA 61 H ALA 61 3.213 -9.357 1.660 491 HA ALA 61 HA ALA 61 5.886 -10.265 1.462 492 HB1 ALA 61 3HB ALA 61 5.179 -8.022 0.703 493 HB2 ALA 61 1HB ALA 61 6.525 -7.921 1.840 494 HB3 ALA 61 2HB ALA 61 4.885 -7.545 2.376 495 H SER 62 H SER 62 7.539 -10.319 2.993 496 HA SER 62 HA SER 62 6.817 -11.271 5.597 497 HB2 SER 62 2HB SER 62 9.555 -10.606 4.420 498 HB3 SER 62 3HB SER 62 9.276 -11.523 5.905 499 HG SER 62 HG SER 62 7.851 -12.546 3.845 500 H GLN 63 H GLN 63 7.872 -10.429 7.575 501 HA GLN 63 HA GLN 63 7.070 -7.810 8.164 502 HB2 GLN 63 2HB GLN 63 7.211 -9.599 9.865 503 HB3 GLN 63 3HB GLN 63 8.961 -9.642 9.705 504 HG2 GLN 63 2HG GLN 63 8.238 -8.473 11.753 505 HG3 GLN 63 3HG GLN 63 9.157 -7.417 10.688 506 HE21 GLN 63 1HE2 GLN 63 8.137 -5.613 9.806 507 HE22 GLN 63 2HE2 GLN 63 6.562 -5.093 10.281 508 H ASN 64 H ASN 64 10.194 -9.118 7.126 509 HA ASN 64 HA ASN 64 11.836 -6.882 7.700 510 HB2 ASN 64 2HB ASN 64 12.146 -9.092 5.628 511 HB3 ASN 64 3HB ASN 64 13.379 -7.865 5.907 512 HD21 ASN 64 1HD2 ASN 64 13.502 -10.763 6.255 513 HD22 ASN 64 2HD2 ASN 64 13.953 -11.035 7.900 514 H ASP 65 H ASP 65 9.861 -7.705 4.863 515 HA ASP 65 HA ASP 65 10.703 -5.567 3.175 516 HB2 ASP 65 2HB ASP 65 8.020 -7.036 3.163 517 HB3 ASP 65 3HB ASP 65 8.650 -6.035 1.851 518 H VAL 66 H VAL 66 8.166 -5.932 5.576 519 HA VAL 66 HA VAL 66 6.939 -3.371 5.254 520 HB VAL 66 HB VAL 66 6.843 -5.293 7.632 521 HG11 VAL 66 1HG1 VAL 66 5.005 -2.963 6.948 522 HG12 VAL 66 2HG1 VAL 66 6.126 -3.039 8.309 523 HG13 VAL 66 3HG1 VAL 66 4.736 -4.124 8.250 524 HG21 VAL 66 3HG2 VAL 66 6.055 -6.358 5.553 525 HG22 VAL 66 1HG2 VAL 66 4.949 -5.013 5.259 526 HG23 VAL 66 2HG2 VAL 66 4.696 -6.077 6.645 527 H ASN 67 H ASN 67 9.603 -4.619 7.230 528 HA ASN 67 HA ASN 67 9.959 -2.384 8.955 529 HB2 ASN 67 2HB ASN 67 12.023 -4.430 7.998 530 HB3 ASN 67 3HB ASN 67 12.336 -3.230 9.250 531 HD21 ASN 67 1HD2 ASN 67 12.494 -6.083 9.455 532 HD22 ASN 67 2HD2 ASN 67 11.371 -6.570 10.670 533 H GLU 68 H GLU 68 11.425 -3.328 5.846 534 HA GLU 68 HA GLU 68 13.010 -1.026 5.474 535 HB2 GLU 68 2HB GLU 68 11.920 -2.998 3.417 536 HB3 GLU 68 3HB GLU 68 13.128 -1.760 3.067 537 HG2 GLU 68 2HG GLU 68 13.418 -4.152 4.901 538 HG3 GLU 68 3HG GLU 68 14.272 -3.850 3.390 539 H PHE 69 H PHE 69 9.628 -1.702 4.757 540 HA PHE 69 HA PHE 69 9.137 0.517 3.068 541 HB2 PHE 69 2HB PHE 69 7.563 -1.450 3.404 542 HB3 PHE 69 3HB PHE 69 7.128 -0.774 4.972 543 HD1 PHE 69 HD2 PHE 69 6.888 -0.332 1.319 544 HD2 PHE 69 HD1 PHE 69 5.702 1.245 5.118 545 HE1 PHE 69 HE2 PHE 69 5.213 1.080 0.213 546 HE2 PHE 69 HE1 PHE 69 4.034 2.660 3.995 547 HZ PHE 69 HZ PHE 69 3.791 2.570 1.548 548 H GLN 70 H GLN 70 8.886 0.054 6.559 549 HA GLN 70 HA GLN 70 7.969 2.692 7.168 550 HB2 GLN 70 2HB GLN 70 9.175 0.542 8.964 551 HB3 GLN 70 3HB GLN 70 8.345 1.994 9.532 552 HG2 GLN 70 2HG GLN 70 6.261 1.245 8.488 553 HG3 GLN 70 3HG GLN 70 7.070 -0.169 7.826 554 HE21 GLN 70 1HE2 GLN 70 7.628 -1.874 9.220 555 HE22 GLN 70 2HE2 GLN 70 6.932 -2.031 10.792 556 H ASN 71 H ASN 71 11.136 1.149 6.943 557 HA ASN 71 HA ASN 71 12.705 3.148 8.248 558 HB2 ASN 71 2HB ASN 71 13.469 0.944 6.275 559 HB3 ASN 71 3HB ASN 71 14.659 2.042 6.969 560 HD21 ASN 71 1HD2 ASN 71 14.312 -0.879 7.215 561 HD22 ASN 71 2HD2 ASN 71 14.248 -1.181 8.913 562 H GLU 72 H GLU 72 12.283 2.340 4.786 563 HA GLU 72 HA GLU 72 13.629 4.549 3.719 564 HB2 GLU 72 2HB GLU 72 11.379 2.908 2.485 565 HB3 GLU 72 3HB GLU 72 12.374 4.059 1.594 566 HG2 GLU 72 2HG GLU 72 13.540 1.662 3.045 567 HG3 GLU 72 3HG GLU 72 12.972 1.580 1.382 568 H ALA 73 H ALA 73 10.209 4.143 4.645 569 HA ALA 73 HA ALA 73 9.266 6.596 3.587 570 HB1 ALA 73 3HB ALA 73 7.756 4.747 4.143 571 HB2 ALA 73 1HB ALA 73 7.268 6.234 4.956 572 HB3 ALA 73 2HB ALA 73 8.098 4.962 5.862 573 H LYS 74 H LYS 74 10.518 5.792 6.887 574 HA LYS 74 HA LYS 74 9.847 8.395 7.924 575 HB2 LYS 74 2HB LYS 74 11.025 7.730 9.999 576 HB3 LYS 74 3HB LYS 74 9.860 6.531 9.473 577 HG2 LYS 74 2HG LYS 74 11.627 5.206 10.178 578 HG3 LYS 74 3HG LYS 74 11.906 5.294 8.444 579 HD2 LYS 74 2HD LYS 74 14.027 5.532 9.582 580 HD3 LYS 74 3HD LYS 74 13.620 7.088 8.862 581 HE2 LYS 74 2HE LYS 74 12.786 7.845 11.100 582 HE3 LYS 74 3HE LYS 74 13.322 6.308 11.781 583 HZ1 LYS 74 3HZ LYS 74 14.972 7.983 12.154 584 HZ2 LYS 74 1HZ LYS 74 15.032 8.367 10.510 585 HZ3 LYS 74 2HZ LYS 74 15.580 6.865 11.045 586 H LYS 75 H LYS 75 12.768 7.041 6.449 587 HA LYS 75 HA LYS 75 14.424 9.310 7.197 588 HB2 LYS 75 2HB LYS 75 16.181 8.282 5.808 589 HB3 LYS 75 3HB LYS 75 15.486 7.127 6.942 590 HG2 LYS 75 2HG LYS 75 14.155 6.134 5.140 591 HG3 LYS 75 3HG LYS 75 14.819 7.289 3.986 592 HD2 LYS 75 2HD LYS 75 16.761 5.596 5.562 593 HD3 LYS 75 3HD LYS 75 15.833 4.811 4.284 594 HE2 LYS 75 2HE LYS 75 17.466 7.325 3.816 595 HE3 LYS 75 3HE LYS 75 18.106 5.694 3.597 596 HZ1 LYS 75 3HZ LYS 75 15.815 6.900 2.132 597 HZ2 LYS 75 1HZ LYS 75 16.305 5.282 1.988 598 HZ3 LYS 75 2HZ LYS 75 17.341 6.529 1.508 599 H GLU 76 H GLU 76 12.515 8.347 4.398 600 HA GLU 76 HA GLU 76 13.344 10.603 2.773 601 HB2 GLU 76 2HB GLU 76 11.093 8.576 2.423 602 HB3 GLU 76 3HB GLU 76 11.470 9.840 1.261 603 HG2 GLU 76 2HG GLU 76 13.246 7.510 2.041 604 HG3 GLU 76 3HG GLU 76 12.379 7.711 0.521 605 H GLY 77 H GLY 77 11.081 10.065 5.313 606 HA2 GLY 77 2HA GLY 77 9.788 11.615 6.440 607 HA3 GLY 77 3HA GLY 77 10.104 12.795 5.179 608 H VAL 78 H VAL 78 8.964 9.775 4.049 609 HA VAL 78 HA VAL 78 6.451 10.783 3.109 610 HB VAL 78 HB VAL 78 7.563 7.930 3.162 611 HG11 VAL 78 1HG1 VAL 78 5.167 8.981 1.602 612 HG12 VAL 78 2HG1 VAL 78 5.103 7.860 2.965 613 HG13 VAL 78 3HG1 VAL 78 5.866 7.365 1.453 614 HG21 VAL 78 3HG2 VAL 78 8.115 8.296 0.787 615 HG22 VAL 78 1HG2 VAL 78 8.935 9.477 1.815 616 HG23 VAL 78 2HG2 VAL 78 7.507 9.951 0.889 617 H SER 79 H SER 79 4.626 10.904 4.251 618 HA SER 79 HA SER 79 4.187 9.746 6.820 619 HB2 SER 79 2HB SER 79 2.284 11.142 4.884 620 HB3 SER 79 3HB SER 79 1.879 10.716 6.551 621 HG SER 79 HG SER 79 3.885 11.970 7.052 622 H TYR 80 H TYR 80 4.424 7.500 6.568 623 HA TYR 80 HA TYR 80 2.635 6.036 4.784 624 HB2 TYR 80 2HB TYR 80 3.864 4.057 5.367 625 HB3 TYR 80 3HB TYR 80 5.045 5.334 5.134 626 HD1 TYR 80 HD2 TYR 80 6.265 6.298 7.131 627 HD2 TYR 80 HD1 TYR 80 3.594 2.978 7.551 628 HE1 TYR 80 HE2 TYR 80 7.217 5.809 9.345 629 HE2 TYR 80 HE1 TYR 80 4.547 2.500 9.767 630 HH TYR 80 HH TYR 80 6.584 2.895 11.020 631 H ASP 81 H ASP 81 1.004 4.640 5.483 632 HA ASP 81 HA ASP 81 0.227 4.681 8.342 633 HB2 ASP 81 2HB ASP 81 -1.152 6.367 7.114 634 HB3 ASP 81 3HB ASP 81 -1.669 5.121 5.987 635 H VAL 82 H VAL 82 -0.156 2.669 9.048 636 HA VAL 82 HA VAL 82 -0.045 0.444 7.129 637 HB VAL 82 HB VAL 82 0.238 0.369 10.172 638 HG11 VAL 82 1HG1 VAL 82 -0.539 -1.799 9.273 639 HG12 VAL 82 2HG1 VAL 82 1.128 -1.927 9.835 640 HG13 VAL 82 3HG1 VAL 82 0.788 -1.805 8.108 641 HG21 VAL 82 3HG2 VAL 82 2.080 1.636 9.136 642 HG22 VAL 82 1HG2 VAL 82 2.388 0.305 8.015 643 HG23 VAL 82 2HG2 VAL 82 2.671 0.087 9.744 644 H LEU 83 H LEU 83 -1.683 -0.905 6.795 645 HA LEU 83 HA LEU 83 -4.203 -0.709 8.338 646 HB2 LEU 83 2HB LEU 83 -4.379 0.525 6.198 647 HB3 LEU 83 3HB LEU 83 -3.807 -0.882 5.317 648 HG LEU 83 HG LEU 83 -5.906 -2.109 6.059 649 HD11 LEU 83 1HD1 LEU 83 -6.457 -0.756 8.028 650 HD12 LEU 83 2HD1 LEU 83 -7.808 -0.835 6.900 651 HD13 LEU 83 3HD1 LEU 83 -6.819 0.627 6.989 652 HD21 LEU 83 3HD2 LEU 83 -6.323 0.397 4.401 653 HD22 LEU 83 1HD2 LEU 83 -7.362 -1.033 4.403 654 HD23 LEU 83 2HD2 LEU 83 -5.704 -1.150 3.815 655 H LYS 84 H LYS 84 -3.959 -2.620 9.459 656 HA LYS 84 HA LYS 84 -3.085 -5.072 8.060 657 HB2 LYS 84 2HB LYS 84 -2.067 -4.241 10.291 658 HB3 LYS 84 3HB LYS 84 -3.580 -4.711 11.043 659 HG2 LYS 84 2HG LYS 84 -2.143 -6.536 11.427 660 HG3 LYS 84 3HG LYS 84 -3.153 -7.064 10.081 661 HD2 LYS 84 2HD LYS 84 -0.814 -7.677 9.697 662 HD3 LYS 84 3HD LYS 84 -1.338 -6.487 8.499 663 HE2 LYS 84 2HE LYS 84 0.959 -6.066 9.417 664 HE3 LYS 84 3HE LYS 84 -0.147 -4.715 9.645 665 HZ1 LYS 84 3HZ LYS 84 -0.438 -5.358 11.934 666 HZ2 LYS 84 1HZ LYS 84 1.211 -5.182 11.608 667 HZ3 LYS 84 2HZ LYS 84 0.531 -6.720 11.723 668 H SER 85 H SER 85 -4.874 -5.872 7.004 669 HA SER 85 HA SER 85 -7.080 -6.989 8.517 670 HB2 SER 85 2HB SER 85 -7.634 -4.711 6.562 671 HB3 SER 85 3HB SER 85 -8.875 -5.771 7.225 672 HG SER 85 HG SER 85 -8.960 -4.327 8.732 673 H THR 86 H THR 86 -8.497 -8.325 7.139 674 HA THR 86 HA THR 86 -7.470 -8.922 4.419 675 HB THR 86 HB THR 86 -8.024 -11.388 4.922 676 HG1 THR 86 HG1 THR 86 -9.202 -10.964 6.872 677 HG21 THR 86 3HG2 THR 86 -5.878 -11.864 6.053 678 HG22 THR 86 1HG2 THR 86 -5.731 -10.160 6.496 679 HG23 THR 86 2HG2 THR 86 -5.676 -10.639 4.799 680 H ASP 87 H ASP 87 -9.856 -7.430 5.655 681 HA ASP 87 HA ASP 87 -12.160 -8.925 4.597 682 HB2 ASP 87 2HB ASP 87 -12.002 -6.237 6.041 683 HB3 ASP 87 3HB ASP 87 -13.499 -7.020 5.541 684 HA PRO 88 HA PRO 88 -11.067 -6.937 0.699 685 HB2 PRO 88 2HB PRO 88 -13.293 -7.746 -0.811 686 HB3 PRO 88 3HB PRO 88 -11.841 -8.724 -0.523 687 HG2 PRO 88 2HG PRO 88 -14.486 -8.833 0.847 688 HG3 PRO 88 3HG PRO 88 -13.389 -10.157 0.407 689 HD2 PRO 88 2HD PRO 88 -13.581 -9.233 2.960 690 HD3 PRO 88 3HD PRO 88 -12.059 -9.875 2.299 691 H GLU 89 H GLU 89 -14.585 -6.596 1.478 692 HA GLU 89 HA GLU 89 -14.916 -4.195 0.002 693 HB2 GLU 89 2HB GLU 89 -17.102 -4.017 1.048 694 HB3 GLU 89 3HB GLU 89 -16.796 -5.697 0.622 695 HG2 GLU 89 2HG GLU 89 -16.242 -6.202 2.978 696 HG3 GLU 89 3HG GLU 89 -16.526 -4.516 3.412 697 H GLU 90 H GLU 90 -13.919 -4.810 3.304 698 HA GLU 90 HA GLU 90 -14.217 -2.181 4.368 699 HB2 GLU 90 2HB GLU 90 -14.056 -4.228 5.788 700 HB3 GLU 90 3HB GLU 90 -12.390 -4.449 5.261 701 HG2 GLU 90 2HG GLU 90 -11.944 -2.108 6.264 702 HG3 GLU 90 3HG GLU 90 -13.519 -2.272 7.035 703 H LEU 91 H LEU 91 -11.430 -4.025 3.084 704 HA LEU 91 HA LEU 91 -9.468 -2.035 3.282 705 HB2 LEU 91 2HB LEU 91 -9.729 -4.306 1.274 706 HB3 LEU 91 3HB LEU 91 -8.289 -3.312 1.439 707 HG LEU 91 HG LEU 91 -9.396 -5.137 3.616 708 HD11 LEU 91 1HD1 LEU 91 -7.489 -6.601 3.127 709 HD12 LEU 91 2HD1 LEU 91 -7.010 -5.554 1.788 710 HD13 LEU 91 3HD1 LEU 91 -8.541 -6.431 1.721 711 HD21 LEU 91 3HD2 LEU 91 -6.812 -3.550 3.507 712 HD22 LEU 91 1HD2 LEU 91 -7.245 -4.725 4.751 713 HD23 LEU 91 2HD2 LEU 91 -8.188 -3.248 4.571 714 H THR 92 H THR 92 -11.891 -2.707 0.780 715 HA THR 92 HA THR 92 -10.921 -0.939 -1.208 716 HB THR 92 HB THR 92 -13.774 -1.977 -0.852 717 HG1 THR 92 HG1 THR 92 -11.733 -3.446 -1.155 718 HG21 THR 92 3HG2 THR 92 -13.967 -1.672 -3.309 719 HG22 THR 92 1HG2 THR 92 -12.350 -0.962 -3.349 720 HG23 THR 92 2HG2 THR 92 -13.660 -0.131 -2.501 721 H GLN 93 H GLN 93 -13.284 -0.511 1.469 722 HA GLN 93 HA GLN 93 -13.880 2.204 0.703 723 HB2 GLN 93 2HB GLN 93 -15.260 2.379 2.685 724 HB3 GLN 93 3HB GLN 93 -15.591 0.875 1.850 725 HG2 GLN 93 2HG GLN 93 -15.683 0.309 4.115 726 HG3 GLN 93 3HG GLN 93 -14.099 -0.254 3.602 727 HE21 GLN 93 1HE2 GLN 93 -14.841 3.131 4.312 728 HE22 GLN 93 2HE2 GLN 93 -13.864 3.230 5.730 729 H ARG 94 H ARG 94 -11.489 0.671 2.714 730 HA ARG 94 HA ARG 94 -10.550 3.003 4.067 731 HB2 ARG 94 2HB ARG 94 -9.172 0.371 3.394 732 HB3 ARG 94 3HB ARG 94 -8.401 1.641 4.337 733 HG2 ARG 94 2HG ARG 94 -10.957 0.216 5.136 734 HG3 ARG 94 3HG ARG 94 -9.343 -0.200 5.717 735 HD2 ARG 94 2HD ARG 94 -9.151 2.117 6.661 736 HD3 ARG 94 3HD ARG 94 -10.831 2.409 6.182 737 HE ARG 94 HE ARG 94 -10.597 0.056 7.775 738 HH11 ARG 94 1HH1 ARG 94 -10.681 3.567 8.052 739 HH12 ARG 94 2HH1 ARG 94 -11.253 3.533 9.690 740 HH21 ARG 94 1HH2 ARG 94 -11.289 0.038 9.931 741 HH22 ARG 94 2HH2 ARG 94 -11.594 1.539 10.748 742 H VAL 95 H VAL 95 -9.761 1.463 0.959 743 HA VAL 95 HA VAL 95 -7.551 3.081 0.246 744 HB VAL 95 HB VAL 95 -9.503 1.534 -1.536 745 HG11 VAL 95 1HG1 VAL 95 -8.470 3.298 -2.897 746 HG12 VAL 95 2HG1 VAL 95 -7.796 1.732 -3.349 747 HG13 VAL 95 3HG1 VAL 95 -6.862 2.834 -2.334 748 HG21 VAL 95 3HG2 VAL 95 -7.667 -0.129 -1.715 749 HG22 VAL 95 1HG2 VAL 95 -8.180 0.089 -0.043 750 HG23 VAL 95 2HG2 VAL 95 -6.687 0.834 -0.606 751 H ARG 96 H ARG 96 -11.047 3.337 -0.529 752 HA ARG 96 HA ARG 96 -10.773 5.632 -2.176 753 HB2 ARG 96 2HB ARG 96 -13.176 5.714 -2.257 754 HB3 ARG 96 3HB ARG 96 -12.679 4.030 -2.317 755 HG2 ARG 96 2HG ARG 96 -13.268 3.795 0.082 756 HG3 ARG 96 3HG ARG 96 -13.821 5.471 0.097 757 HD2 ARG 96 2HD ARG 96 -15.764 4.092 -0.148 758 HD3 ARG 96 3HD ARG 96 -15.475 4.842 -1.718 759 HE ARG 96 HE ARG 96 -14.511 2.098 -1.183 760 HH11 ARG 96 1HH1 ARG 96 -16.626 4.218 -3.063 761 HH12 ARG 96 2HH1 ARG 96 -17.053 2.968 -4.190 762 HH21 ARG 96 1HH2 ARG 96 -15.187 0.470 -2.596 763 HH22 ARG 96 2HH2 ARG 96 -16.237 0.847 -3.922 764 H GLU 97 H GLU 97 -11.462 5.256 1.291 765 HA GLU 97 HA GLU 97 -11.862 8.077 1.757 766 HB2 GLU 97 2HB GLU 97 -11.618 5.686 3.604 767 HB3 GLU 97 3HB GLU 97 -11.670 7.332 4.233 768 HG2 GLU 97 2HG GLU 97 -13.816 5.996 2.557 769 HG3 GLU 97 3HG GLU 97 -13.889 6.315 4.292 770 H PHE 98 H PHE 98 -9.105 5.935 1.705 771 HA PHE 98 HA PHE 98 -7.286 7.696 3.015 772 HB2 PHE 98 2HB PHE 98 -6.652 5.348 2.666 773 HB3 PHE 98 3HB PHE 98 -6.736 5.550 0.915 774 HD1 PHE 98 HD1 PHE 98 -4.932 6.730 3.968 775 HD2 PHE 98 HD2 PHE 98 -4.828 6.355 -0.305 776 HE1 PHE 98 HE1 PHE 98 -2.614 7.541 3.935 777 HE2 PHE 98 HE2 PHE 98 -2.508 7.161 -0.310 778 HZ PHE 98 HZ PHE 98 -1.416 7.755 1.804 779 H LEU 99 H LEU 99 -8.149 7.147 -0.393 780 HA LEU 99 HA LEU 99 -6.528 9.142 -1.555 781 HB2 LEU 99 2HB LEU 99 -9.128 7.909 -2.553 782 HB3 LEU 99 3HB LEU 99 -8.006 8.830 -3.548 783 HG LEU 99 HG LEU 99 -7.245 6.224 -2.160 784 HD11 LEU 99 1HD1 LEU 99 -7.508 5.094 -4.324 785 HD12 LEU 99 2HD1 LEU 99 -8.176 6.570 -5.022 786 HD13 LEU 99 3HD1 LEU 99 -9.039 5.737 -3.729 787 HD21 LEU 99 3HD2 LEU 99 -5.329 7.652 -2.698 788 HD22 LEU 99 1HD2 LEU 99 -5.855 7.762 -4.381 789 HD23 LEU 99 2HD2 LEU 99 -5.336 6.211 -3.712 790 H LYS 100 H LYS 100 -9.677 9.226 -0.026 791 HA LYS 100 HA LYS 100 -10.580 11.788 -0.778 792 HB2 LYS 100 2HB LYS 100 -11.986 10.068 0.347 793 HB3 LYS 100 3HB LYS 100 -11.040 10.251 1.812 794 HG2 LYS 100 2HG LYS 100 -13.101 11.429 2.133 795 HG3 LYS 100 3HG LYS 100 -11.821 12.633 1.968 796 HD2 LYS 100 2HD LYS 100 -13.823 13.321 0.725 797 HD3 LYS 100 3HD LYS 100 -12.482 13.022 -0.385 798 HE2 LYS 100 2HE LYS 100 -14.632 12.110 -1.230 799 HE3 LYS 100 3HE LYS 100 -13.432 10.840 -0.987 800 HZ1 LYS 100 3HZ LYS 100 -14.512 10.277 1.105 801 HZ2 LYS 100 1HZ LYS 100 -15.611 10.198 -0.174 802 HZ3 LYS 100 2HZ LYS 100 -15.643 11.514 0.882 803 H THR 101 H THR 101 -8.837 10.772 2.222 804 HA THR 101 HA THR 101 -8.460 13.469 3.153 805 HB THR 101 HB THR 101 -8.627 11.766 4.848 806 HG1 THR 101 HG1 THR 101 -7.080 13.524 5.224 807 HG21 THR 101 3HG2 THR 101 -7.787 9.824 3.591 808 HG22 THR 101 1HG2 THR 101 -6.977 9.962 5.151 809 HG23 THR 101 2HG2 THR 101 -6.145 10.467 3.678 810 H ALA 102 H ALA 102 -6.530 11.288 1.228 811 HA ALA 102 HA ALA 102 -4.059 12.794 1.481 812 HB1 ALA 102 3HB ALA 102 -3.991 10.346 1.269 813 HB2 ALA 102 1HB ALA 102 -3.132 11.121 -0.065 814 HB3 ALA 102 2HB ALA 102 -4.747 10.451 -0.324 815 H GLY 103 H GLY 103 -6.865 12.840 -0.541 816 HA2 GLY 103 2HA GLY 103 -7.417 14.840 -1.730 817 HA3 GLY 103 3HA GLY 103 -5.713 15.107 -2.059 818 H SER 104 H SER 104 -8.540 14.241 -3.471 819 HA SER 104 HA SER 104 -7.724 12.175 -5.276 820 HB2 SER 104 2HB SER 104 -10.100 12.508 -4.654 821 HB3 SER 104 3HB SER 104 -10.094 14.100 -5.410 822 HG SER 104 HG SER 104 -10.957 12.262 -6.665 823 H LEU 105 H LEU 105 -8.984 15.285 -6.548 824 HA LEU 105 HA LEU 105 -6.710 15.413 -8.414 825 HB2 LEU 105 2HB LEU 105 -9.269 17.065 -8.344 826 HB3 LEU 105 3HB LEU 105 -8.032 17.145 -9.593 827 HG LEU 105 HG LEU 105 -9.871 14.785 -9.014 828 HD11 LEU 105 1HD1 LEU 105 -10.977 16.632 -10.170 829 HD12 LEU 105 2HD1 LEU 105 -10.800 15.239 -11.231 830 HD13 LEU 105 3HD1 LEU 105 -9.727 16.630 -11.417 831 HD21 LEU 105 3HD2 LEU 105 -8.845 13.670 -10.965 832 HD22 LEU 105 1HD2 LEU 105 -7.669 13.932 -9.677 833 HD23 LEU 105 2HD2 LEU 105 -7.665 14.975 -11.101 834 H GLU 106 H GLU 106 -5.033 16.206 -7.254 835 HA GLU 106 HA GLU 106 -5.225 18.329 -5.332 836 HB2 GLU 106 2HB GLU 106 -3.576 16.515 -5.104 837 HB3 GLU 106 3HB GLU 106 -2.817 16.971 -6.621 838 HG2 GLU 106 2HG GLU 106 -1.492 17.705 -4.683 839 HG3 GLU 106 3HG GLU 106 -2.039 19.078 -5.648 840 H HIS 107 H HIS 107 -4.731 20.453 -5.553 841 HA HIS 107 HA HIS 107 -3.746 21.520 -8.145 842 HB2 HIS 107 2HB HIS 107 -5.724 22.977 -6.328 843 HB3 HIS 107 3HB HIS 107 -5.208 23.452 -7.944 844 HD1 HIS 107 HD1 HIS 107 -6.396 22.295 -9.952 845 HD2 HIS 107 HD2 HIS 107 -7.697 20.965 -6.236 846 HE1 HIS 107 HE1 HIS 107 -8.464 20.942 -10.394 847 HE2 HIS 107 HE2 HIS 107 -9.144 20.043 -8.150 848 H HIS 108 H HIS 108 -1.676 21.212 -7.023 849 HA HIS 108 HA HIS 108 -1.172 22.477 -4.490 850 HB2 HIS 108 2HB HIS 108 1.076 21.596 -4.633 851 HB3 HIS 108 3HB HIS 108 -0.034 20.354 -5.192 852 HD1 HIS 108 HD1 HIS 108 0.107 19.679 -7.690 853 HD2 HIS 108 HD2 HIS 108 2.874 22.580 -6.590 854 HE1 HIS 108 HE1 HIS 108 1.763 19.787 -9.564 855 HE2 HIS 108 HE2 HIS 108 3.282 21.698 -8.970 856 H HIS 109 H HIS 109 -1.408 23.863 -7.492 857 HA HIS 109 HA HIS 109 0.362 26.114 -6.718 858 HB2 HIS 109 2HB HIS 109 1.078 24.936 -8.837 859 HB3 HIS 109 3HB HIS 109 -0.485 25.320 -9.551 860 HD1 HIS 109 HD1 HIS 109 2.658 26.996 -8.284 861 HD2 HIS 109 HD2 HIS 109 -0.647 27.861 -10.648 862 HE1 HIS 109 HE1 HIS 109 3.120 29.242 -9.303 863 HE2 HIS 109 HE2 HIS 109 1.161 29.684 -10.813 864 H HIS 110 H HIS 110 -0.573 28.139 -6.702 865 HA HIS 110 HA HIS 110 -3.458 28.282 -6.591 866 HB2 HIS 110 2HB HIS 110 -2.095 29.473 -4.910 867 HB3 HIS 110 3HB HIS 110 -1.349 30.452 -6.171 868 HD1 HIS 110 HD1 HIS 110 -2.470 32.661 -6.594 869 HD2 HIS 110 HD2 HIS 110 -5.041 29.952 -4.757 870 HE1 HIS 110 HE1 HIS 110 -4.597 33.925 -6.162 871 HE2 HIS 110 HE2 HIS 110 -6.137 32.267 -5.067 872 H HIS 111 H HIS 111 -4.766 29.043 -8.097 873 HA HIS 111 HA HIS 111 -4.148 30.995 -10.089 874 HB2 HIS 111 2HB HIS 111 -4.388 29.602 -12.106 875 HB3 HIS 111 3HB HIS 111 -3.057 28.978 -11.145 876 HD1 HIS 111 HD1 HIS 111 -6.072 27.917 -12.852 877 HD2 HIS 111 HD2 HIS 111 -3.864 26.565 -9.599 878 HE1 HIS 111 HE1 HIS 111 -6.730 25.521 -12.532 879 HE2 HIS 111 HE2 HIS 111 -5.516 24.786 -10.462 880 H HIS 112 H HIS 112 -6.204 30.614 -11.866 881 HA HIS 112 HA HIS 112 -8.615 29.772 -10.379 882 HB2 HIS 112 2HB HIS 112 -8.545 32.259 -10.393 883 HB3 HIS 112 3HB HIS 112 -8.435 32.259 -12.151 884 HD1 HIS 112 HD1 HIS 112 -10.618 32.218 -13.413 885 HD2 HIS 112 HD2 HIS 112 -11.118 31.242 -9.399 886 HE1 HIS 112 HE1 HIS 112 -13.097 32.102 -13.042 887 HE2 HIS 112 HE2 HIS 112 -13.360 31.299 -10.677 Start of MODEL 6 1 H1 MET 1 1H MET 1 4.773 17.093 -1.175 2 H2 MET 1 2H MET 1 4.016 15.612 -1.462 3 H3 MET 1 3H MET 1 5.687 15.759 -1.653 4 HA MET 1 HA MET 1 6.009 16.145 0.662 5 HB2 MET 1 2HB MET 1 2.992 15.707 0.928 6 HB3 MET 1 3HB MET 1 4.121 15.941 2.261 7 HG2 MET 1 2HG MET 1 3.367 17.976 0.152 8 HG3 MET 1 3HG MET 1 2.921 17.999 1.861 9 HE1 MET 1 3HE MET 1 5.464 21.015 1.504 10 HE2 MET 1 1HE MET 1 3.817 20.555 1.933 11 HE3 MET 1 2HE MET 1 4.346 20.475 0.251 12 H GLY 2 H GLY 2 3.386 13.916 -0.347 13 HA2 GLY 2 2HA GLY 2 3.720 11.650 -0.953 14 HA3 GLY 2 3HA GLY 2 5.171 11.592 0.036 15 H LYS 3 H LYS 3 2.039 10.596 -0.131 16 HA LYS 3 HA LYS 3 1.962 9.808 2.701 17 HB2 LYS 3 2HB LYS 3 0.487 11.808 2.551 18 HB3 LYS 3 3HB LYS 3 -0.389 11.081 1.212 19 HG2 LYS 3 2HG LYS 3 -1.197 9.285 2.714 20 HG3 LYS 3 3HG LYS 3 -0.338 10.027 4.067 21 HD2 LYS 3 2HD LYS 3 -1.761 12.014 3.938 22 HD3 LYS 3 3HD LYS 3 -2.527 11.418 2.463 23 HE2 LYS 3 2HE LYS 3 -3.988 11.112 4.417 24 HE3 LYS 3 3HE LYS 3 -3.533 9.559 3.721 25 HZ1 LYS 3 3HZ LYS 3 -2.337 10.801 6.143 26 HZ2 LYS 3 1HZ LYS 3 -1.869 9.323 5.473 27 HZ3 LYS 3 2HZ LYS 3 -3.416 9.502 6.119 28 H VAL 4 H VAL 4 1.302 7.634 2.866 29 HA VAL 4 HA VAL 4 0.201 6.326 0.465 30 HB VAL 4 HB VAL 4 2.676 6.200 0.279 31 HG11 VAL 4 1HG1 VAL 4 4.025 4.813 1.747 32 HG12 VAL 4 2HG1 VAL 4 2.627 4.526 2.785 33 HG13 VAL 4 3HG1 VAL 4 3.297 6.154 2.637 34 HG21 VAL 4 3HG2 VAL 4 1.358 3.506 0.707 35 HG22 VAL 4 1HG2 VAL 4 2.843 3.793 -0.205 36 HG23 VAL 4 2HG2 VAL 4 1.316 4.466 -0.773 37 H LEU 5 H LEU 5 -0.875 4.403 0.813 38 HA LEU 5 HA LEU 5 -1.522 3.702 3.619 39 HB2 LEU 5 2HB LEU 5 -3.408 4.464 2.125 40 HB3 LEU 5 3HB LEU 5 -3.084 3.104 1.066 41 HG LEU 5 HG LEU 5 -3.656 1.538 2.938 42 HD11 LEU 5 1HD1 LEU 5 -4.792 2.367 4.952 43 HD12 LEU 5 2HD1 LEU 5 -4.463 4.031 4.463 44 HD13 LEU 5 3HD1 LEU 5 -3.129 2.944 4.856 45 HD21 LEU 5 3HD2 LEU 5 -5.368 2.122 1.270 46 HD22 LEU 5 1HD2 LEU 5 -5.873 3.504 2.246 47 HD23 LEU 5 2HD2 LEU 5 -6.096 1.861 2.850 48 H LEU 6 H LEU 6 0.048 2.204 4.102 49 HA LEU 6 HA LEU 6 0.787 0.025 2.352 50 HB2 LEU 6 2HB LEU 6 2.361 1.012 4.032 51 HB3 LEU 6 3HB LEU 6 1.322 0.451 5.331 52 HG LEU 6 HG LEU 6 1.779 -1.926 4.595 53 HD11 LEU 6 1HD1 LEU 6 2.368 -1.542 2.274 54 HD12 LEU 6 2HD1 LEU 6 3.676 -2.379 3.103 55 HD13 LEU 6 3HD1 LEU 6 3.819 -0.654 2.754 56 HD21 LEU 6 3HD2 LEU 6 4.045 -2.065 5.566 57 HD22 LEU 6 1HD2 LEU 6 3.018 -0.963 6.483 58 HD23 LEU 6 2HD2 LEU 6 4.240 -0.319 5.384 59 H VAL 7 H VAL 7 -1.158 -1.004 1.882 60 HA VAL 7 HA VAL 7 -2.937 -2.121 3.870 61 HB VAL 7 HB VAL 7 -2.793 -2.678 0.853 62 HG11 VAL 7 1HG1 VAL 7 -4.017 -4.445 2.033 63 HG12 VAL 7 2HG1 VAL 7 -5.131 -3.469 1.078 64 HG13 VAL 7 3HG1 VAL 7 -5.043 -3.248 2.827 65 HG21 VAL 7 3HG2 VAL 7 -3.177 -0.291 1.279 66 HG22 VAL 7 1HG2 VAL 7 -4.534 -0.675 2.343 67 HG23 VAL 7 2HG2 VAL 7 -4.629 -1.042 0.618 68 H ILE 8 H ILE 8 -2.136 -3.754 5.082 69 HA ILE 8 HA ILE 8 -0.701 -6.011 3.820 70 HB ILE 8 HB ILE 8 -0.926 -5.451 6.823 71 HG12 ILE 8 2HG1 ILE 8 1.341 -4.663 4.929 72 HG13 ILE 8 3HG1 ILE 8 0.299 -3.565 5.819 73 HG21 ILE 8 1HG2 ILE 8 0.945 -7.291 5.266 74 HG22 ILE 8 2HG2 ILE 8 -0.441 -7.804 6.230 75 HG23 ILE 8 3HG2 ILE 8 0.950 -7.059 7.017 76 HD11 ILE 8 3HD1 ILE 8 2.452 -3.688 6.859 77 HD12 ILE 8 1HD1 ILE 8 2.341 -5.445 6.984 78 HD13 ILE 8 2HD1 ILE 8 1.250 -4.422 7.926 79 H SER 9 H SER 9 -1.948 -7.743 3.427 80 HA SER 9 HA SER 9 -3.879 -8.647 5.473 81 HB2 SER 9 2HB SER 9 -4.305 -8.941 2.462 82 HB3 SER 9 3HB SER 9 -5.408 -9.455 3.734 83 HG SER 9 HG SER 9 -5.193 -7.014 4.277 84 H THR 10 H THR 10 -3.878 -10.889 5.774 85 HA THR 10 HA THR 10 -1.502 -12.321 5.126 86 HB THR 10 HB THR 10 -4.131 -13.469 6.189 87 HG1 THR 10 HG1 THR 10 -3.155 -13.054 8.263 88 HG21 THR 10 3HG2 THR 10 -2.707 -15.179 7.246 89 HG22 THR 10 1HG2 THR 10 -1.265 -14.436 6.545 90 HG23 THR 10 2HG2 THR 10 -2.470 -15.187 5.499 91 H ASP 11 H ASP 11 -4.728 -12.135 3.779 92 HA ASP 11 HA ASP 11 -4.405 -14.341 1.903 93 HB2 ASP 11 2HB ASP 11 -6.688 -12.334 2.168 94 HB3 ASP 11 3HB ASP 11 -6.714 -13.839 1.248 95 H THR 12 H THR 12 -3.103 -13.908 0.231 96 HA THR 12 HA THR 12 -2.735 -11.449 -1.132 97 HB THR 12 HB THR 12 -1.722 -12.901 -2.942 98 HG1 THR 12 HG1 THR 12 -2.051 -15.139 -1.251 99 HG21 THR 12 3HG2 THR 12 -0.806 -13.570 -0.121 100 HG22 THR 12 1HG2 THR 12 -0.316 -12.154 -1.060 101 HG23 THR 12 2HG2 THR 12 0.144 -13.770 -1.595 102 H ASN 13 H ASN 13 -5.078 -14.011 -1.446 103 HA ASN 13 HA ASN 13 -6.187 -13.462 -3.972 104 HB2 ASN 13 2HB ASN 13 -7.594 -14.590 -1.505 105 HB3 ASN 13 3HB ASN 13 -8.188 -14.700 -3.159 106 HD21 ASN 13 1HD2 ASN 13 -7.622 -16.825 -1.282 107 HD22 ASN 13 2HD2 ASN 13 -6.446 -17.846 -2.033 108 H ILE 14 H ILE 14 -7.016 -12.238 -0.731 109 HA ILE 14 HA ILE 14 -9.168 -10.542 -1.538 110 HB ILE 14 HB ILE 14 -7.453 -10.498 0.993 111 HG12 ILE 14 2HG1 ILE 14 -8.754 -12.570 0.790 112 HG13 ILE 14 3HG1 ILE 14 -9.432 -11.579 2.073 113 HG21 ILE 14 1HG2 ILE 14 -8.432 -8.277 0.669 114 HG22 ILE 14 2HG2 ILE 14 -9.210 -9.095 2.021 115 HG23 ILE 14 3HG2 ILE 14 -10.037 -8.986 0.467 116 HD11 ILE 14 3HD1 ILE 14 -11.175 -12.638 0.773 117 HD12 ILE 14 1HD1 ILE 14 -10.562 -11.906 -0.709 118 HD13 ILE 14 2HD1 ILE 14 -11.247 -10.890 0.562 119 H ILE 15 H ILE 15 -5.727 -9.955 -0.817 120 HA ILE 15 HA ILE 15 -5.470 -7.224 -1.205 121 HB ILE 15 HB ILE 15 -3.560 -9.516 -1.841 122 HG12 ILE 15 2HG1 ILE 15 -3.579 -7.522 0.472 123 HG13 ILE 15 3HG1 ILE 15 -4.212 -9.160 0.551 124 HG21 ILE 15 1HG2 ILE 15 -2.857 -6.570 -1.836 125 HG22 ILE 15 2HG2 ILE 15 -2.854 -7.636 -3.241 126 HG23 ILE 15 3HG2 ILE 15 -1.698 -7.896 -1.935 127 HD11 ILE 15 3HD1 ILE 15 -1.965 -10.039 0.134 128 HD12 ILE 15 1HD1 ILE 15 -2.044 -9.033 1.580 129 HD13 ILE 15 2HD1 ILE 15 -1.337 -8.389 0.099 130 H SER 16 H SER 16 -5.297 -9.806 -3.639 131 HA SER 16 HA SER 16 -4.817 -8.213 -5.922 132 HB2 SER 16 2HB SER 16 -4.392 -10.680 -5.798 133 HB3 SER 16 3HB SER 16 -6.130 -10.972 -5.752 134 HG SER 16 HG SER 16 -6.057 -9.675 -7.837 135 H SER 17 H SER 17 -7.807 -9.605 -4.538 136 HA SER 17 HA SER 17 -9.594 -8.884 -6.553 137 HB2 SER 17 2HB SER 17 -10.098 -10.534 -4.758 138 HB3 SER 17 3HB SER 17 -10.239 -9.219 -3.591 139 HG SER 17 HG SER 17 -11.987 -10.067 -5.560 140 H VAL 18 H VAL 18 -8.875 -7.203 -3.501 141 HA VAL 18 HA VAL 18 -10.609 -5.005 -3.809 142 HB VAL 18 HB VAL 18 -8.014 -5.201 -2.200 143 HG11 VAL 18 1HG1 VAL 18 -8.838 -3.281 -0.876 144 HG12 VAL 18 2HG1 VAL 18 -10.224 -3.111 -1.953 145 HG13 VAL 18 3HG1 VAL 18 -8.593 -2.829 -2.562 146 HG21 VAL 18 3HG2 VAL 18 -9.719 -6.863 -1.557 147 HG22 VAL 18 1HG2 VAL 18 -10.902 -5.573 -1.314 148 HG23 VAL 18 2HG2 VAL 18 -9.474 -5.673 -0.281 149 H GLN 19 H GLN 19 -7.163 -5.429 -4.644 150 HA GLN 19 HA GLN 19 -6.611 -2.789 -5.441 151 HB2 GLN 19 2HB GLN 19 -4.848 -4.449 -4.992 152 HB3 GLN 19 3HB GLN 19 -5.345 -5.396 -6.392 153 HG2 GLN 19 2HG GLN 19 -4.744 -3.462 -7.852 154 HG3 GLN 19 3HG GLN 19 -4.149 -2.608 -6.432 155 HE21 GLN 19 1HE2 GLN 19 -2.891 -4.949 -5.212 156 HE22 GLN 19 2HE2 GLN 19 -1.495 -5.284 -6.169 157 H GLU 20 H GLU 20 -7.784 -5.577 -7.296 158 HA GLU 20 HA GLU 20 -7.796 -4.441 -9.888 159 HB2 GLU 20 2HB GLU 20 -9.472 -6.689 -8.689 160 HB3 GLU 20 3HB GLU 20 -9.456 -6.290 -10.406 161 HG2 GLU 20 2HG GLU 20 -7.107 -6.882 -10.585 162 HG3 GLU 20 3HG GLU 20 -6.993 -7.110 -8.840 163 H ARG 21 H ARG 21 -10.399 -4.840 -7.485 164 HA ARG 21 HA ARG 21 -12.495 -3.545 -8.800 165 HB2 ARG 21 2HB ARG 21 -11.924 -3.700 -5.805 166 HB3 ARG 21 3HB ARG 21 -13.461 -3.184 -6.493 167 HG2 ARG 21 2HG ARG 21 -13.825 -5.399 -7.445 168 HG3 ARG 21 3HG ARG 21 -12.231 -5.921 -6.909 169 HD2 ARG 21 2HD ARG 21 -12.968 -5.533 -4.539 170 HD3 ARG 21 3HD ARG 21 -14.596 -5.203 -5.148 171 HE ARG 21 HE ARG 21 -13.219 -7.788 -5.632 172 HH11 ARG 21 1HH1 ARG 21 -16.058 -6.050 -4.488 173 HH12 ARG 21 2HH1 ARG 21 -16.988 -7.489 -4.233 174 HH21 ARG 21 1HH2 ARG 21 -14.447 -9.666 -5.272 175 HH22 ARG 21 2HH2 ARG 21 -16.070 -9.539 -4.680 176 H ALA 22 H ALA 22 -9.898 -2.288 -6.793 177 HA ALA 22 HA ALA 22 -10.886 0.348 -6.444 178 HB1 ALA 22 3HB ALA 22 -8.046 -0.704 -6.167 179 HB2 ALA 22 1HB ALA 22 -9.272 -0.678 -4.898 180 HB3 ALA 22 2HB ALA 22 -8.648 0.837 -5.549 181 H LYS 23 H LYS 23 -8.657 -1.127 -8.814 182 HA LYS 23 HA LYS 23 -7.965 1.327 -10.119 183 HB2 LYS 23 2HB LYS 23 -7.821 -1.553 -11.106 184 HB3 LYS 23 3HB LYS 23 -7.163 -0.177 -11.990 185 HG2 LYS 23 2HG LYS 23 -5.622 0.302 -10.114 186 HG3 LYS 23 3HG LYS 23 -6.281 -1.074 -9.223 187 HD2 LYS 23 2HD LYS 23 -5.488 -2.599 -11.027 188 HD3 LYS 23 3HD LYS 23 -4.801 -1.214 -11.883 189 HE2 LYS 23 2HE LYS 23 -3.298 -0.788 -9.961 190 HE3 LYS 23 3HE LYS 23 -3.980 -2.184 -9.126 191 HZ1 LYS 23 3HZ LYS 23 -2.428 -2.219 -11.657 192 HZ2 LYS 23 1HZ LYS 23 -3.187 -3.572 -10.989 193 HZ3 LYS 23 2HZ LYS 23 -1.937 -2.807 -10.152 194 H HIS 24 H HIS 24 -10.552 -1.049 -10.592 195 HA HIS 24 HA HIS 24 -11.558 0.127 -13.037 196 HB2 HIS 24 2HB HIS 24 -12.681 -1.996 -11.168 197 HB3 HIS 24 3HB HIS 24 -13.552 -1.437 -12.591 198 HD1 HIS 24 HD1 HIS 24 -12.213 -1.796 -14.939 199 HD2 HIS 24 HD2 HIS 24 -10.937 -4.050 -11.686 200 HE1 HIS 24 HE1 HIS 24 -10.838 -3.659 -15.905 201 HE2 HIS 24 HE2 HIS 24 -9.916 -4.868 -13.914 202 H ASN 25 H ASN 25 -12.182 0.576 -9.623 203 HA ASN 25 HA ASN 25 -14.681 2.036 -10.018 204 HB2 ASN 25 2HB ASN 25 -13.114 1.318 -7.505 205 HB3 ASN 25 3HB ASN 25 -14.559 2.326 -7.467 206 HD21 ASN 25 1HD2 ASN 25 -14.124 -0.239 -6.189 207 HD22 ASN 25 2HD2 ASN 25 -15.325 -1.318 -6.807 208 H TYR 26 H TYR 26 -11.301 2.718 -9.290 209 HA TYR 26 HA TYR 26 -11.868 5.629 -9.221 210 HB2 TYR 26 2HB TYR 26 -9.351 4.371 -8.049 211 HB3 TYR 26 3HB TYR 26 -10.037 5.958 -7.722 212 HD1 TYR 26 HD1 TYR 26 -12.659 5.690 -6.755 213 HD2 TYR 26 HD2 TYR 26 -9.471 2.896 -6.236 214 HE1 TYR 26 HE1 TYR 26 -13.791 4.741 -4.781 215 HE2 TYR 26 HE2 TYR 26 -10.601 1.953 -4.281 216 HH TYR 26 HH TYR 26 -12.262 2.566 -2.625 217 HA PRO 27 HA PRO 27 -9.636 4.694 -13.173 218 HB2 PRO 27 2HB PRO 27 -11.007 6.326 -14.818 219 HB3 PRO 27 3HB PRO 27 -11.783 4.884 -14.131 220 HG2 PRO 27 2HG PRO 27 -12.013 7.739 -13.242 221 HG3 PRO 27 3HG PRO 27 -13.295 6.526 -13.468 222 HD2 PRO 27 2HD PRO 27 -12.168 7.111 -11.011 223 HD3 PRO 27 3HD PRO 27 -12.922 5.553 -11.412 224 H GLY 28 H GLY 28 -8.704 6.771 -11.116 225 HA2 GLY 28 2HA GLY 28 -6.681 7.942 -12.791 226 HA3 GLY 28 3HA GLY 28 -7.823 9.144 -12.191 227 H ARG 29 H ARG 29 -7.031 6.304 -10.307 228 HA ARG 29 HA ARG 29 -5.542 7.980 -8.364 229 HB2 ARG 29 2HB ARG 29 -7.592 5.786 -7.852 230 HB3 ARG 29 3HB ARG 29 -6.537 6.431 -6.597 231 HG2 ARG 29 2HG ARG 29 -8.511 8.084 -8.197 232 HG3 ARG 29 3HG ARG 29 -8.823 7.430 -6.588 233 HD2 ARG 29 2HD ARG 29 -6.926 8.754 -5.696 234 HD3 ARG 29 3HD ARG 29 -6.641 9.418 -7.309 235 HE ARG 29 HE ARG 29 -9.147 10.159 -6.970 236 HH11 ARG 29 1HH1 ARG 29 -6.520 10.334 -4.641 237 HH12 ARG 29 2HH1 ARG 29 -7.174 11.719 -3.831 238 HH21 ARG 29 1HH2 ARG 29 -9.969 11.991 -5.928 239 HH22 ARG 29 2HH2 ARG 29 -9.136 12.661 -4.565 240 H GLU 30 H GLU 30 -3.622 7.242 -7.745 241 HA GLU 30 HA GLU 30 -2.547 5.046 -9.311 242 HB2 GLU 30 2HB GLU 30 -1.224 7.262 -7.703 243 HB3 GLU 30 3HB GLU 30 -0.322 5.980 -8.503 244 HG2 GLU 30 2HG GLU 30 -0.288 7.972 -9.873 245 HG3 GLU 30 3HG GLU 30 -1.197 6.701 -10.684 246 H ILE 31 H ILE 31 -2.016 3.165 -8.560 247 HA ILE 31 HA ILE 31 -1.739 2.623 -5.657 248 HB ILE 31 HB ILE 31 -3.209 0.968 -7.778 249 HG12 ILE 31 2HG1 ILE 31 -4.243 2.303 -5.226 250 HG13 ILE 31 3HG1 ILE 31 -4.526 2.874 -6.866 251 HG21 ILE 31 1HG2 ILE 31 -2.662 0.220 -4.883 252 HG22 ILE 31 2HG2 ILE 31 -1.934 -0.532 -6.302 253 HG23 ILE 31 3HG2 ILE 31 -3.666 -0.697 -6.012 254 HD11 ILE 31 3HD1 ILE 31 -6.473 1.777 -6.005 255 HD12 ILE 31 1HD1 ILE 31 -5.551 0.313 -5.663 256 HD13 ILE 31 2HD1 ILE 31 -5.802 0.828 -7.334 257 H ARG 32 H ARG 32 -0.078 1.211 -5.143 258 HA ARG 32 HA ARG 32 1.601 0.116 -7.333 259 HB2 ARG 32 2HB ARG 32 2.545 1.003 -4.568 260 HB3 ARG 32 3HB ARG 32 3.557 0.450 -5.897 261 HG2 ARG 32 2HG ARG 32 1.933 3.002 -5.848 262 HG3 ARG 32 3HG ARG 32 3.668 2.888 -5.578 263 HD2 ARG 32 2HD ARG 32 2.439 1.925 -8.171 264 HD3 ARG 32 3HD ARG 32 2.807 3.629 -7.912 265 HE ARG 32 HE ARG 32 4.980 1.699 -7.506 266 HH11 ARG 32 1HH1 ARG 32 3.498 4.097 -9.624 267 HH12 ARG 32 2HH1 ARG 32 4.933 4.322 -10.571 268 HH21 ARG 32 1HH2 ARG 32 6.871 2.041 -8.762 269 HH22 ARG 32 2HH2 ARG 32 6.838 3.157 -10.081 270 H THR 33 H THR 33 2.405 -1.952 -7.012 271 HA THR 33 HA THR 33 1.287 -3.531 -4.765 272 HB THR 33 HB THR 33 2.263 -4.607 -7.462 273 HG1 THR 33 HG1 THR 33 0.384 -3.273 -7.696 274 HG21 THR 33 3HG2 THR 33 2.255 -6.274 -5.625 275 HG22 THR 33 1HG2 THR 33 1.007 -6.638 -6.818 276 HG23 THR 33 2HG2 THR 33 0.565 -5.893 -5.277 277 H ALA 34 H ALA 34 2.685 -4.861 -3.618 278 HA ALA 34 HA ALA 34 5.569 -4.792 -4.208 279 HB1 ALA 34 3HB ALA 34 5.158 -3.107 -2.482 280 HB2 ALA 34 1HB ALA 34 6.043 -4.475 -1.804 281 HB3 ALA 34 2HB ALA 34 4.314 -4.295 -1.490 282 H THR 35 H THR 35 6.463 -6.721 -4.110 283 HA THR 35 HA THR 35 5.219 -8.954 -2.600 284 HB THR 35 HB THR 35 6.306 -9.130 -5.461 285 HG1 THR 35 HG1 THR 35 3.782 -8.671 -4.433 286 HG21 THR 35 3HG2 THR 35 5.455 -11.443 -5.478 287 HG22 THR 35 1HG2 THR 35 4.949 -11.291 -3.788 288 HG23 THR 35 2HG2 THR 35 6.662 -11.252 -4.211 289 H SER 36 H SER 36 8.033 -7.454 -4.054 290 HA SER 36 HA SER 36 9.863 -8.916 -2.250 291 HB2 SER 36 2HB SER 36 10.414 -7.798 -5.044 292 HB3 SER 36 3HB SER 36 11.597 -8.603 -4.012 293 HG SER 36 HG SER 36 9.656 -10.290 -4.118 294 H SER 37 H SER 37 11.758 -7.607 -1.617 295 HA SER 37 HA SER 37 11.134 -5.049 -0.602 296 HB2 SER 37 2HB SER 37 13.613 -5.000 0.010 297 HB3 SER 37 3HB SER 37 12.744 -6.433 0.566 298 HG SER 37 HG SER 37 13.691 -7.634 -1.004 299 H GLN 38 H GLN 38 12.495 -6.059 -3.645 300 HA GLN 38 HA GLN 38 13.684 -3.670 -4.546 301 HB2 GLN 38 2HB GLN 38 13.910 -5.876 -5.697 302 HB3 GLN 38 3HB GLN 38 12.218 -5.801 -6.174 303 HG2 GLN 38 2HG GLN 38 13.647 -5.204 -8.048 304 HG3 GLN 38 3HG GLN 38 12.695 -3.807 -7.554 305 HE21 GLN 38 1HE2 GLN 38 15.902 -5.184 -7.678 306 HE22 GLN 38 2HE2 GLN 38 16.758 -3.729 -7.319 307 H ASP 39 H ASP 39 10.330 -4.869 -4.785 308 HA ASP 39 HA ASP 39 9.156 -2.703 -6.155 309 HB2 ASP 39 2HB ASP 39 7.854 -4.530 -4.084 310 HB3 ASP 39 3HB ASP 39 6.987 -3.493 -5.210 311 H ILE 40 H ILE 40 9.494 -3.396 -2.694 312 HA ILE 40 HA ILE 40 8.129 -1.309 -1.504 313 HB ILE 40 HB ILE 40 10.637 -2.812 -0.655 314 HG12 ILE 40 2HG1 ILE 40 8.540 -4.143 -0.816 315 HG13 ILE 40 3HG1 ILE 40 9.143 -4.068 0.833 316 HG21 ILE 40 1HG2 ILE 40 10.767 -0.704 0.528 317 HG22 ILE 40 2HG2 ILE 40 10.315 -1.978 1.659 318 HG23 ILE 40 3HG2 ILE 40 9.091 -0.853 1.067 319 HD11 ILE 40 3HD1 ILE 40 6.827 -2.469 -0.272 320 HD12 ILE 40 1HD1 ILE 40 7.425 -2.405 1.388 321 HD13 ILE 40 2HD1 ILE 40 6.721 -3.893 0.760 322 H ARG 41 H ARG 41 11.590 -1.367 -2.407 323 HA ARG 41 HA ARG 41 12.149 1.325 -1.603 324 HB2 ARG 41 2HB ARG 41 13.737 -0.571 -3.384 325 HB3 ARG 41 3HB ARG 41 14.350 0.932 -2.702 326 HG2 ARG 41 2HG ARG 41 14.179 0.056 -0.446 327 HG3 ARG 41 3HG ARG 41 13.388 -1.411 -1.026 328 HD2 ARG 41 2HD ARG 41 15.481 -1.947 -2.316 329 HD3 ARG 41 3HD ARG 41 16.249 -0.548 -1.554 330 HE ARG 41 HE ARG 41 15.500 -1.830 0.614 331 HH11 ARG 41 1HH1 ARG 41 16.926 -3.222 -2.288 332 HH12 ARG 41 2HH1 ARG 41 17.669 -4.534 -1.432 333 HH21 ARG 41 1HH2 ARG 41 16.487 -3.573 1.716 334 HH22 ARG 41 2HH2 ARG 41 17.419 -4.726 0.826 335 H ASP 42 H ASP 42 11.218 -0.203 -4.622 336 HA ASP 42 HA ASP 42 11.606 1.890 -6.457 337 HB2 ASP 42 2HB ASP 42 11.070 -0.311 -7.299 338 HB3 ASP 42 3HB ASP 42 9.575 -0.386 -6.381 339 H ILE 43 H ILE 43 8.843 1.119 -4.366 340 HA ILE 43 HA ILE 43 7.064 3.095 -5.359 341 HB ILE 43 HB ILE 43 7.073 1.645 -2.669 342 HG12 ILE 43 2HG1 ILE 43 5.390 1.006 -5.145 343 HG13 ILE 43 3HG1 ILE 43 6.940 0.244 -4.833 344 HG21 ILE 43 1HG2 ILE 43 4.676 2.259 -2.530 345 HG22 ILE 43 2HG2 ILE 43 4.825 3.224 -3.994 346 HG23 ILE 43 3HG2 ILE 43 5.704 3.686 -2.534 347 HD11 ILE 43 3HD1 ILE 43 5.134 -1.196 -4.167 348 HD12 ILE 43 1HD1 ILE 43 4.496 0.046 -3.092 349 HD13 ILE 43 2HD1 ILE 43 6.062 -0.694 -2.753 350 H ILE 44 H ILE 44 9.147 3.001 -2.451 351 HA ILE 44 HA ILE 44 8.554 5.569 -1.428 352 HB ILE 44 HB ILE 44 11.086 3.891 -1.096 353 HG12 ILE 44 2HG1 ILE 44 8.629 4.073 0.720 354 HG13 ILE 44 3HG1 ILE 44 8.931 2.763 -0.418 355 HG21 ILE 44 1HG2 ILE 44 10.107 6.208 0.625 356 HG22 ILE 44 2HG2 ILE 44 11.525 6.223 -0.423 357 HG23 ILE 44 3HG2 ILE 44 11.491 5.172 0.992 358 HD11 ILE 44 3HD1 ILE 44 10.941 2.157 0.805 359 HD12 ILE 44 1HD1 ILE 44 9.510 2.137 1.829 360 HD13 ILE 44 2HD1 ILE 44 10.648 3.473 1.947 361 H LYS 45 H LYS 45 10.996 4.452 -3.742 362 HA LYS 45 HA LYS 45 12.379 6.879 -4.213 363 HB2 LYS 45 2HB LYS 45 13.378 4.847 -4.959 364 HB3 LYS 45 3HB LYS 45 11.946 4.338 -5.822 365 HG2 LYS 45 2HG LYS 45 13.490 6.757 -6.783 366 HG3 LYS 45 3HG LYS 45 14.089 5.141 -7.136 367 HD2 LYS 45 2HD LYS 45 11.392 6.281 -7.984 368 HD3 LYS 45 3HD LYS 45 12.783 5.995 -9.031 369 HE2 LYS 45 2HE LYS 45 12.569 3.620 -8.818 370 HE3 LYS 45 3HE LYS 45 11.421 3.768 -7.490 371 HZ1 LYS 45 3HZ LYS 45 9.848 4.784 -9.078 372 HZ2 LYS 45 1HZ LYS 45 10.257 3.192 -9.473 373 HZ3 LYS 45 2HZ LYS 45 10.938 4.474 -10.333 374 H SER 46 H SER 46 9.406 5.513 -5.603 375 HA SER 46 HA SER 46 8.978 7.563 -7.558 376 HB2 SER 46 2HB SER 46 6.973 5.614 -6.334 377 HB3 SER 46 3HB SER 46 6.736 6.554 -7.811 378 HG SER 46 HG SER 46 8.071 4.210 -7.431 379 H MET 47 H MET 47 8.268 7.277 -4.151 380 HA MET 47 HA MET 47 6.440 9.542 -4.046 381 HB2 MET 47 2HB MET 47 7.761 8.038 -1.740 382 HB3 MET 47 3HB MET 47 6.428 9.180 -1.611 383 HG2 MET 47 2HG MET 47 5.114 7.575 -3.127 384 HG3 MET 47 3HG MET 47 6.398 6.416 -2.806 385 HE1 MET 47 3HE MET 47 3.479 8.116 0.299 386 HE2 MET 47 1HE MET 47 3.356 8.364 -1.442 387 HE3 MET 47 2HE MET 47 4.663 9.124 -0.529 388 H LYS 48 H LYS 48 9.854 8.951 -3.704 389 HA LYS 48 HA LYS 48 10.548 11.582 -2.718 390 HB2 LYS 48 2HB LYS 48 12.177 9.328 -3.951 391 HB3 LYS 48 3HB LYS 48 12.907 10.839 -3.436 392 HG2 LYS 48 2HG LYS 48 11.343 9.150 -1.475 393 HG3 LYS 48 3HG LYS 48 13.007 8.754 -1.883 394 HD2 LYS 48 2HD LYS 48 13.151 10.031 0.097 395 HD3 LYS 48 3HD LYS 48 13.628 11.130 -1.188 396 HE2 LYS 48 2HE LYS 48 11.345 12.132 -1.121 397 HE3 LYS 48 3HE LYS 48 10.943 11.058 0.223 398 HZ1 LYS 48 3HZ LYS 48 11.595 13.139 1.132 399 HZ2 LYS 48 1HZ LYS 48 13.001 13.199 0.188 400 HZ3 LYS 48 2HZ LYS 48 12.863 12.060 1.427 401 H ASP 49 H ASP 49 10.233 9.974 -5.807 402 HA ASP 49 HA ASP 49 11.368 11.992 -7.487 403 HB2 ASP 49 2HB ASP 49 11.175 9.585 -8.164 404 HB3 ASP 49 3HB ASP 49 9.419 9.727 -8.161 405 H ASN 50 H ASN 50 8.094 10.994 -6.616 406 HA ASN 50 HA ASN 50 6.999 13.676 -7.203 407 HB2 ASN 50 2HB ASN 50 5.684 10.988 -7.855 408 HB3 ASN 50 3HB ASN 50 4.887 12.552 -7.996 409 HD21 ASN 50 1HD2 ASN 50 7.120 13.964 -9.162 410 HD22 ASN 50 2HD2 ASN 50 7.362 13.342 -10.749 411 H GLY 51 H GLY 51 6.417 14.475 -5.229 412 HA2 GLY 51 2HA GLY 51 5.943 12.817 -2.912 413 HA3 GLY 51 3HA GLY 51 5.841 14.566 -2.992 414 H LYS 52 H LYS 52 4.102 11.656 -4.024 415 HA LYS 52 HA LYS 52 1.529 13.143 -4.028 416 HB2 LYS 52 2HB LYS 52 0.848 11.621 -5.888 417 HB3 LYS 52 3HB LYS 52 2.258 12.582 -6.317 418 HG2 LYS 52 2HG LYS 52 3.736 10.691 -6.007 419 HG3 LYS 52 3HG LYS 52 2.438 9.714 -5.326 420 HD2 LYS 52 2HD LYS 52 2.450 10.746 -8.186 421 HD3 LYS 52 3HD LYS 52 3.071 9.167 -7.712 422 HE2 LYS 52 2HE LYS 52 0.896 8.728 -8.478 423 HE3 LYS 52 3HE LYS 52 0.724 8.735 -6.725 424 HZ1 LYS 52 3HZ LYS 52 -1.045 9.934 -7.931 425 HZ2 LYS 52 1HZ LYS 52 0.097 11.051 -8.476 426 HZ3 LYS 52 2HZ LYS 52 -0.232 10.908 -6.822 427 HA PRO 53 HA PRO 53 -0.115 9.661 -1.557 428 HB2 PRO 53 2HB PRO 53 -2.695 9.460 -2.499 429 HB3 PRO 53 3HB PRO 53 -2.151 10.711 -1.366 430 HG2 PRO 53 2HG PRO 53 -2.528 10.903 -4.331 431 HG3 PRO 53 3HG PRO 53 -2.985 12.058 -3.056 432 HD2 PRO 53 2HD PRO 53 -0.747 12.392 -4.563 433 HD3 PRO 53 3HD PRO 53 -0.829 12.912 -2.865 434 H LEU 54 H LEU 54 -0.123 7.500 -1.707 435 HA LEU 54 HA LEU 54 -0.742 6.057 -4.190 436 HB2 LEU 54 2HB LEU 54 1.901 5.911 -2.677 437 HB3 LEU 54 3HB LEU 54 1.346 4.556 -3.647 438 HG LEU 54 HG LEU 54 1.872 7.346 -4.754 439 HD11 LEU 54 1HD1 LEU 54 3.630 4.873 -4.951 440 HD12 LEU 54 2HD1 LEU 54 3.972 6.323 -4.007 441 HD13 LEU 54 3HD1 LEU 54 3.907 6.419 -5.763 442 HD21 LEU 54 3HD2 LEU 54 1.232 4.724 -6.153 443 HD22 LEU 54 1HD2 LEU 54 1.717 6.220 -6.966 444 HD23 LEU 54 2HD2 LEU 54 0.208 6.157 -6.061 445 H VAL 55 H VAL 55 -1.153 3.741 -3.769 446 HA VAL 55 HA VAL 55 -1.646 3.028 -0.922 447 HB VAL 55 HB VAL 55 -3.414 2.170 -3.287 448 HG11 VAL 55 1HG1 VAL 55 -4.917 1.248 -1.552 449 HG12 VAL 55 2HG1 VAL 55 -3.762 1.701 -0.296 450 HG13 VAL 55 3HG1 VAL 55 -3.327 0.487 -1.502 451 HG21 VAL 55 3HG2 VAL 55 -5.182 3.619 -2.347 452 HG22 VAL 55 1HG2 VAL 55 -3.767 4.562 -2.823 453 HG23 VAL 55 2HG2 VAL 55 -4.060 4.212 -1.119 454 H VAL 56 H VAL 56 -0.048 1.557 -0.487 455 HA VAL 56 HA VAL 56 0.924 -0.285 -2.560 456 HB VAL 56 HB VAL 56 1.879 0.174 0.307 457 HG11 VAL 56 1HG1 VAL 56 2.405 -2.139 -0.370 458 HG12 VAL 56 2HG1 VAL 56 3.873 -1.168 -0.291 459 HG13 VAL 56 3HG1 VAL 56 3.158 -1.555 -1.858 460 HG21 VAL 56 3HG2 VAL 56 3.773 1.307 -0.745 461 HG22 VAL 56 1HG2 VAL 56 2.256 2.065 -1.218 462 HG23 VAL 56 2HG2 VAL 56 3.097 1.002 -2.345 463 H PHE 57 H PHE 57 -0.137 -2.142 -2.846 464 HA PHE 57 HA PHE 57 -1.258 -3.670 -0.599 465 HB2 PHE 57 2HB PHE 57 -1.345 -3.962 -3.628 466 HB3 PHE 57 3HB PHE 57 -1.916 -5.223 -2.556 467 HD1 PHE 57 HD1 PHE 57 -2.572 -1.798 -3.774 468 HD2 PHE 57 HD2 PHE 57 -4.027 -4.993 -1.332 469 HE1 PHE 57 HE1 PHE 57 -4.770 -0.692 -3.624 470 HE2 PHE 57 HE2 PHE 57 -6.219 -3.882 -1.195 471 HZ PHE 57 HZ PHE 57 -6.593 -1.732 -2.337 472 H VAL 58 H VAL 58 0.304 -4.742 0.537 473 HA VAL 58 HA VAL 58 2.610 -5.938 -0.846 474 HB VAL 58 HB VAL 58 3.407 -6.573 1.492 475 HG11 VAL 58 1HG1 VAL 58 4.159 -4.287 2.069 476 HG12 VAL 58 2HG1 VAL 58 2.979 -3.619 0.936 477 HG13 VAL 58 3HG1 VAL 58 4.304 -4.621 0.342 478 HG21 VAL 58 3HG2 VAL 58 2.428 -5.412 3.434 479 HG22 VAL 58 1HG2 VAL 58 1.272 -6.523 2.699 480 HG23 VAL 58 2HG2 VAL 58 1.128 -4.788 2.414 481 H ASN 59 H ASN 59 1.976 -7.684 -1.923 482 HA ASN 59 HA ASN 59 -0.021 -9.533 -1.179 483 HB2 ASN 59 2HB ASN 59 2.177 -9.802 -3.271 484 HB3 ASN 59 3HB ASN 59 0.806 -10.898 -3.109 485 HD21 ASN 59 1HD2 ASN 59 -0.075 -10.472 -5.111 486 HD22 ASN 59 2HD2 ASN 59 -0.754 -8.951 -5.549 487 H GLY 60 H GLY 60 0.476 -10.183 0.916 488 HA2 GLY 60 2HA GLY 60 1.202 -11.609 2.544 489 HA3 GLY 60 3HA GLY 60 1.637 -12.706 1.245 490 H ALA 61 H ALA 61 3.040 -9.523 1.624 491 HA ALA 61 HA ALA 61 5.690 -10.465 1.319 492 HB1 ALA 61 3HB ALA 61 4.929 -8.257 0.540 493 HB2 ALA 61 1HB ALA 61 6.335 -8.115 1.597 494 HB3 ALA 61 2HB ALA 61 4.727 -7.728 2.209 495 H SER 62 H SER 62 7.434 -10.501 2.774 496 HA SER 62 HA SER 62 6.732 -11.399 5.433 497 HB2 SER 62 2HB SER 62 9.146 -11.996 5.600 498 HB3 SER 62 3HB SER 62 8.449 -12.595 4.095 499 HG SER 62 HG SER 62 9.396 -10.161 3.621 500 H GLN 63 H GLN 63 8.429 -10.681 7.212 501 HA GLN 63 HA GLN 63 7.679 -8.084 7.999 502 HB2 GLN 63 2HB GLN 63 8.211 -9.946 9.584 503 HB3 GLN 63 3HB GLN 63 9.910 -9.829 9.141 504 HG2 GLN 63 2HG GLN 63 9.484 -8.720 11.283 505 HG3 GLN 63 3HG GLN 63 10.019 -7.558 10.069 506 HE21 GLN 63 1HE2 GLN 63 9.112 -5.778 11.040 507 HE22 GLN 63 2HE2 GLN 63 7.412 -5.531 11.203 508 H ASN 64 H ASN 64 10.539 -9.285 6.329 509 HA ASN 64 HA ASN 64 12.317 -7.146 6.637 510 HB2 ASN 64 2HB ASN 64 11.960 -9.011 4.249 511 HB3 ASN 64 3HB ASN 64 13.293 -7.864 4.397 512 HD21 ASN 64 1HD2 ASN 64 14.803 -8.173 6.166 513 HD22 ASN 64 2HD2 ASN 64 15.049 -9.758 6.818 514 H ASP 65 H ASP 65 9.815 -7.644 4.155 515 HA ASP 65 HA ASP 65 10.235 -5.363 2.570 516 HB2 ASP 65 2HB ASP 65 7.594 -6.796 3.123 517 HB3 ASP 65 3HB ASP 65 7.906 -5.714 1.764 518 H VAL 66 H VAL 66 8.094 -5.899 5.316 519 HA VAL 66 HA VAL 66 6.803 -3.385 5.358 520 HB VAL 66 HB VAL 66 7.231 -5.296 7.711 521 HG11 VAL 66 1HG1 VAL 66 5.145 -4.334 8.628 522 HG12 VAL 66 2HG1 VAL 66 5.060 -3.209 7.272 523 HG13 VAL 66 3HG1 VAL 66 6.389 -3.098 8.426 524 HG21 VAL 66 3HG2 VAL 66 6.265 -6.507 5.791 525 HG22 VAL 66 1HG2 VAL 66 4.975 -5.306 5.660 526 HG23 VAL 66 2HG2 VAL 66 5.076 -6.345 7.085 527 H ASN 67 H ASN 67 9.801 -4.567 6.828 528 HA ASN 67 HA ASN 67 10.264 -2.311 8.544 529 HB2 ASN 67 2HB ASN 67 12.098 -4.563 7.617 530 HB3 ASN 67 3HB ASN 67 12.622 -3.301 8.732 531 HD21 ASN 67 1HD2 ASN 67 12.377 -6.180 9.137 532 HD22 ASN 67 2HD2 ASN 67 11.343 -6.387 10.504 533 H GLU 68 H GLU 68 11.574 -3.298 5.347 534 HA GLU 68 HA GLU 68 13.340 -1.142 4.946 535 HB2 GLU 68 2HB GLU 68 11.781 -2.678 2.811 536 HB3 GLU 68 3HB GLU 68 13.193 -1.673 2.517 537 HG2 GLU 68 2HG GLU 68 13.107 -4.272 4.058 538 HG3 GLU 68 3HG GLU 68 13.816 -4.017 2.470 539 H PHE 69 H PHE 69 9.908 -1.529 4.358 540 HA PHE 69 HA PHE 69 9.415 0.784 2.859 541 HB2 PHE 69 2HB PHE 69 7.884 -1.244 3.097 542 HB3 PHE 69 3HB PHE 69 7.398 -0.613 4.669 543 HD1 PHE 69 HD2 PHE 69 7.365 0.029 1.013 544 HD2 PHE 69 HD1 PHE 69 5.822 1.246 4.814 545 HE1 PHE 69 HE2 PHE 69 5.704 1.451 -0.113 546 HE2 PHE 69 HE1 PHE 69 4.169 2.675 3.675 547 HZ PHE 69 HZ PHE 69 4.111 2.773 1.216 548 H GLN 70 H GLN 70 8.834 0.117 6.297 549 HA GLN 70 HA GLN 70 7.858 2.655 7.000 550 HB2 GLN 70 2HB GLN 70 9.109 0.492 8.732 551 HB3 GLN 70 3HB GLN 70 8.293 1.919 9.364 552 HG2 GLN 70 2HG GLN 70 6.186 1.199 8.312 553 HG3 GLN 70 3HG GLN 70 6.999 -0.229 7.664 554 HE21 GLN 70 1HE2 GLN 70 7.646 -1.879 9.117 555 HE22 GLN 70 2HE2 GLN 70 6.958 -2.007 10.698 556 H ASN 71 H ASN 71 11.148 1.258 7.323 557 HA ASN 71 HA ASN 71 12.278 3.427 8.760 558 HB2 ASN 71 2HB ASN 71 13.481 1.100 7.238 559 HB3 ASN 71 3HB ASN 71 14.536 2.402 7.761 560 HD21 ASN 71 1HD2 ASN 71 12.565 -0.270 8.826 561 HD22 ASN 71 2HD2 ASN 71 13.116 -0.287 10.459 562 H GLU 72 H GLU 72 12.450 2.632 5.245 563 HA GLU 72 HA GLU 72 13.982 4.958 4.602 564 HB2 GLU 72 2HB GLU 72 12.406 3.134 2.761 565 HB3 GLU 72 3HB GLU 72 13.494 4.404 2.215 566 HG2 GLU 72 2HG GLU 72 14.234 1.912 3.755 567 HG3 GLU 72 3HG GLU 72 14.612 2.269 2.073 568 H ALA 73 H ALA 73 10.557 4.429 4.932 569 HA ALA 73 HA ALA 73 9.743 6.848 3.619 570 HB1 ALA 73 3HB ALA 73 8.193 4.977 3.937 571 HB2 ALA 73 1HB ALA 73 7.564 6.453 4.675 572 HB3 ALA 73 2HB ALA 73 8.275 5.190 5.686 573 H LYS 74 H LYS 74 10.016 5.999 7.125 574 HA LYS 74 HA LYS 74 9.240 8.572 8.040 575 HB2 LYS 74 2HB LYS 74 9.796 7.791 10.316 576 HB3 LYS 74 3HB LYS 74 8.853 6.609 9.437 577 HG2 LYS 74 2HG LYS 74 10.370 5.240 10.497 578 HG3 LYS 74 3HG LYS 74 11.183 5.488 8.954 579 HD2 LYS 74 2HD LYS 74 12.557 7.291 10.044 580 HD3 LYS 74 3HD LYS 74 11.792 6.890 11.583 581 HE2 LYS 74 2HE LYS 74 12.715 4.613 11.450 582 HE3 LYS 74 3HE LYS 74 13.459 4.996 9.895 583 HZ1 LYS 74 3HZ LYS 74 15.106 5.216 11.556 584 HZ2 LYS 74 1HZ LYS 74 14.111 6.166 12.542 585 HZ3 LYS 74 2HZ LYS 74 14.698 6.783 11.083 586 H LYS 75 H LYS 75 12.418 7.245 7.299 587 HA LYS 75 HA LYS 75 13.967 9.220 8.666 588 HB2 LYS 75 2HB LYS 75 15.883 8.415 7.405 589 HB3 LYS 75 3HB LYS 75 14.916 7.036 7.910 590 HG2 LYS 75 2HG LYS 75 13.960 6.859 5.652 591 HG3 LYS 75 3HG LYS 75 14.905 8.253 5.132 592 HD2 LYS 75 2HD LYS 75 16.063 5.618 6.113 593 HD3 LYS 75 3HD LYS 75 15.897 6.091 4.423 594 HE2 LYS 75 2HE LYS 75 17.454 7.957 4.769 595 HE3 LYS 75 3HE LYS 75 17.595 7.539 6.481 596 HZ1 LYS 75 3HZ LYS 75 18.385 5.789 4.212 597 HZ2 LYS 75 1HZ LYS 75 18.531 5.405 5.851 598 HZ3 LYS 75 2HZ LYS 75 19.443 6.663 5.192 599 H GLU 76 H GLU 76 12.487 9.038 5.516 600 HA GLU 76 HA GLU 76 13.611 11.557 4.538 601 HB2 GLU 76 2HB GLU 76 11.651 9.561 3.313 602 HB3 GLU 76 3HB GLU 76 12.274 10.983 2.482 603 HG2 GLU 76 2HG GLU 76 13.868 8.582 3.414 604 HG3 GLU 76 3HG GLU 76 13.491 9.031 1.750 605 H GLY 77 H GLY 77 11.039 10.546 6.430 606 HA2 GLY 77 2HA GLY 77 9.289 11.634 7.387 607 HA3 GLY 77 3HA GLY 77 9.760 13.093 6.535 608 H VAL 78 H VAL 78 9.252 10.264 4.657 609 HA VAL 78 HA VAL 78 6.879 11.181 3.357 610 HB VAL 78 HB VAL 78 8.192 8.413 3.331 611 HG11 VAL 78 1HG1 VAL 78 5.845 8.240 2.651 612 HG12 VAL 78 2HG1 VAL 78 6.901 7.983 1.264 613 HG13 VAL 78 3HG1 VAL 78 6.064 9.526 1.462 614 HG21 VAL 78 3HG2 VAL 78 9.166 9.094 1.163 615 HG22 VAL 78 1HG2 VAL 78 9.698 10.150 2.474 616 HG23 VAL 78 2HG2 VAL 78 8.459 10.701 1.344 617 H SER 79 H SER 79 4.868 10.968 4.065 618 HA SER 79 HA SER 79 4.257 9.745 6.587 619 HB2 SER 79 2HB SER 79 2.442 11.073 4.523 620 HB3 SER 79 3HB SER 79 1.992 10.679 6.183 621 HG SER 79 HG SER 79 4.296 12.192 5.933 622 H TYR 80 H TYR 80 3.805 7.628 6.821 623 HA TYR 80 HA TYR 80 2.331 6.170 4.714 624 HB2 TYR 80 2HB TYR 80 3.580 4.123 5.308 625 HB3 TYR 80 3HB TYR 80 4.669 5.386 4.760 626 HD1 TYR 80 HD2 TYR 80 5.985 6.711 6.513 627 HD2 TYR 80 HD1 TYR 80 3.926 3.089 7.461 628 HE1 TYR 80 HE2 TYR 80 7.349 6.460 8.527 629 HE2 TYR 80 HE1 TYR 80 5.305 2.848 9.483 630 HH TYR 80 HH TYR 80 7.483 3.606 10.333 631 H ASP 81 H ASP 81 0.646 5.012 5.362 632 HA ASP 81 HA ASP 81 -0.099 4.871 8.233 633 HB2 ASP 81 2HB ASP 81 -1.943 5.219 5.804 634 HB3 ASP 81 3HB ASP 81 -2.466 5.105 7.482 635 H VAL 82 H VAL 82 -0.196 2.753 8.842 636 HA VAL 82 HA VAL 82 -0.255 0.683 6.759 637 HB VAL 82 HB VAL 82 0.220 0.265 9.760 638 HG11 VAL 82 1HG1 VAL 82 1.173 -1.912 9.039 639 HG12 VAL 82 2HG1 VAL 82 0.760 -1.549 7.364 640 HG13 VAL 82 3HG1 VAL 82 -0.518 -1.769 8.560 641 HG21 VAL 82 3HG2 VAL 82 1.976 1.743 8.848 642 HG22 VAL 82 1HG2 VAL 82 2.281 0.607 7.530 643 HG23 VAL 82 2HG2 VAL 82 2.640 0.147 9.195 644 H LEU 83 H LEU 83 -1.760 -0.960 6.710 645 HA LEU 83 HA LEU 83 -4.296 -0.615 8.176 646 HB2 LEU 83 2HB LEU 83 -4.417 0.533 5.964 647 HB3 LEU 83 3HB LEU 83 -3.887 -0.937 5.165 648 HG LEU 83 HG LEU 83 -6.004 -2.061 5.904 649 HD11 LEU 83 1HD1 LEU 83 -6.810 0.695 6.872 650 HD12 LEU 83 2HD1 LEU 83 -6.523 -0.731 7.872 651 HD13 LEU 83 3HD1 LEU 83 -7.873 -0.711 6.745 652 HD21 LEU 83 3HD2 LEU 83 -6.377 0.456 4.242 653 HD22 LEU 83 1HD2 LEU 83 -7.463 -0.939 4.267 654 HD23 LEU 83 2HD2 LEU 83 -5.821 -1.113 3.655 655 H LYS 84 H LYS 84 -3.966 -2.473 9.396 656 HA LYS 84 HA LYS 84 -3.189 -4.985 8.052 657 HB2 LYS 84 2HB LYS 84 -2.051 -4.174 10.222 658 HB3 LYS 84 3HB LYS 84 -3.567 -4.512 11.046 659 HG2 LYS 84 2HG LYS 84 -2.267 -6.431 11.434 660 HG3 LYS 84 3HG LYS 84 -3.343 -6.911 10.127 661 HD2 LYS 84 2HD LYS 84 -1.171 -7.742 9.565 662 HD3 LYS 84 3HD LYS 84 -1.458 -6.352 8.512 663 HE2 LYS 84 2HE LYS 84 0.831 -6.318 9.385 664 HE3 LYS 84 3HE LYS 84 -0.078 -4.942 10.006 665 HZ1 LYS 84 3HZ LYS 84 -0.406 -6.177 12.081 666 HZ2 LYS 84 1HZ LYS 84 1.236 -5.953 11.739 667 HZ3 LYS 84 2HZ LYS 84 0.513 -7.457 11.469 668 H SER 85 H SER 85 -5.036 -5.718 7.074 669 HA SER 85 HA SER 85 -7.347 -6.489 8.713 670 HB2 SER 85 2HB SER 85 -7.663 -4.752 6.226 671 HB3 SER 85 3HB SER 85 -8.971 -5.398 7.206 672 HG SER 85 HG SER 85 -8.690 -3.350 7.898 673 H THR 86 H THR 86 -8.966 -7.701 7.147 674 HA THR 86 HA THR 86 -7.642 -9.058 4.886 675 HB THR 86 HB THR 86 -8.682 -11.277 5.696 676 HG1 THR 86 HG1 THR 86 -9.845 -11.128 7.446 677 HG21 THR 86 3HG2 THR 86 -6.247 -10.906 5.823 678 HG22 THR 86 1HG2 THR 86 -6.815 -11.838 7.210 679 HG23 THR 86 2HG2 THR 86 -6.432 -10.124 7.394 680 H ASP 87 H ASP 87 -10.369 -7.524 6.195 681 HA ASP 87 HA ASP 87 -12.460 -8.859 4.738 682 HB2 ASP 87 2HB ASP 87 -12.465 -6.101 6.050 683 HB3 ASP 87 3HB ASP 87 -13.890 -6.930 5.428 684 HA PRO 88 HA PRO 88 -11.277 -6.885 0.796 685 HB2 PRO 88 2HB PRO 88 -13.484 -7.790 -0.672 686 HB3 PRO 88 3HB PRO 88 -12.019 -8.748 -0.369 687 HG2 PRO 88 2HG PRO 88 -14.635 -8.805 1.094 688 HG3 PRO 88 3HG PRO 88 -13.607 -10.159 0.569 689 HD2 PRO 88 2HD PRO 88 -13.587 -9.342 3.121 690 HD3 PRO 88 3HD PRO 88 -12.083 -9.859 2.324 691 H GLU 89 H GLU 89 -14.617 -6.666 2.042 692 HA GLU 89 HA GLU 89 -15.406 -4.375 0.612 693 HB2 GLU 89 2HB GLU 89 -17.203 -4.131 2.338 694 HB3 GLU 89 3HB GLU 89 -17.079 -5.760 1.689 695 HG2 GLU 89 2HG GLU 89 -16.106 -6.616 3.681 696 HG3 GLU 89 3HG GLU 89 -15.747 -5.007 4.298 697 H GLU 90 H GLU 90 -13.858 -4.713 3.796 698 HA GLU 90 HA GLU 90 -14.022 -1.988 4.555 699 HB2 GLU 90 2HB GLU 90 -13.706 -3.778 6.213 700 HB3 GLU 90 3HB GLU 90 -12.124 -4.166 5.537 701 HG2 GLU 90 2HG GLU 90 -11.250 -2.005 6.231 702 HG3 GLU 90 3HG GLU 90 -12.852 -1.489 6.767 703 H LEU 91 H LEU 91 -11.408 -3.957 3.138 704 HA LEU 91 HA LEU 91 -9.424 -2.003 3.004 705 HB2 LEU 91 2HB LEU 91 -9.905 -4.366 1.154 706 HB3 LEU 91 3HB LEU 91 -8.443 -3.394 1.141 707 HG LEU 91 HG LEU 91 -9.387 -5.150 3.442 708 HD11 LEU 91 1HD1 LEU 91 -8.538 -6.430 1.524 709 HD12 LEU 91 2HD1 LEU 91 -7.449 -6.549 2.903 710 HD13 LEU 91 3HD1 LEU 91 -7.040 -5.493 1.545 711 HD21 LEU 91 3HD2 LEU 91 -8.228 -3.208 4.338 712 HD22 LEU 91 1HD2 LEU 91 -6.886 -3.446 3.216 713 HD23 LEU 91 2HD2 LEU 91 -7.200 -4.630 4.479 714 H THR 92 H THR 92 -12.007 -2.777 0.667 715 HA THR 92 HA THR 92 -11.224 -1.057 -1.434 716 HB THR 92 HB THR 92 -14.013 -2.063 -0.698 717 HG1 THR 92 HG1 THR 92 -12.178 -3.569 -1.292 718 HG21 THR 92 3HG2 THR 92 -14.639 -1.634 -3.054 719 HG22 THR 92 1HG2 THR 92 -13.053 -0.917 -3.357 720 HG23 THR 92 2HG2 THR 92 -14.184 -0.127 -2.253 721 H GLN 93 H GLN 93 -13.493 -0.505 1.320 722 HA GLN 93 HA GLN 93 -13.994 2.218 0.536 723 HB2 GLN 93 2HB GLN 93 -15.359 2.438 2.526 724 HB3 GLN 93 3HB GLN 93 -15.713 0.920 1.727 725 HG2 GLN 93 2HG GLN 93 -15.768 0.402 3.998 726 HG3 GLN 93 3HG GLN 93 -14.197 -0.183 3.470 727 HE21 GLN 93 1HE2 GLN 93 -14.973 3.215 4.150 728 HE22 GLN 93 2HE2 GLN 93 -13.966 3.348 5.543 729 H ARG 94 H ARG 94 -11.577 0.670 2.507 730 HA ARG 94 HA ARG 94 -10.659 2.988 3.909 731 HB2 ARG 94 2HB ARG 94 -9.302 0.353 3.230 732 HB3 ARG 94 3HB ARG 94 -8.473 1.625 4.117 733 HG2 ARG 94 2HG ARG 94 -10.997 0.218 5.038 734 HG3 ARG 94 3HG ARG 94 -9.362 -0.149 5.576 735 HD2 ARG 94 2HD ARG 94 -9.223 2.243 6.417 736 HD3 ARG 94 3HD ARG 94 -10.955 2.376 6.087 737 HE ARG 94 HE ARG 94 -9.796 0.370 7.932 738 HH11 ARG 94 1HH1 ARG 94 -12.286 2.748 7.262 739 HH12 ARG 94 2HH1 ARG 94 -13.133 2.449 8.742 740 HH21 ARG 94 1HH2 ARG 94 -10.880 0.006 9.868 741 HH22 ARG 94 2HH2 ARG 94 -12.330 0.887 10.226 742 H VAL 95 H VAL 95 -9.903 1.517 0.772 743 HA VAL 95 HA VAL 95 -7.729 3.182 0.079 744 HB VAL 95 HB VAL 95 -9.698 1.711 -1.746 745 HG11 VAL 95 1HG1 VAL 95 -8.029 1.996 -3.566 746 HG12 VAL 95 2HG1 VAL 95 -7.067 3.044 -2.520 747 HG13 VAL 95 3HG1 VAL 95 -8.683 3.541 -3.025 748 HG21 VAL 95 3HG2 VAL 95 -8.334 0.218 -0.320 749 HG22 VAL 95 1HG2 VAL 95 -6.857 0.972 -0.922 750 HG23 VAL 95 2HG2 VAL 95 -7.893 0.051 -2.017 751 H ARG 96 H ARG 96 -11.293 3.532 -0.584 752 HA ARG 96 HA ARG 96 -10.987 5.962 -2.061 753 HB2 ARG 96 2HB ARG 96 -13.404 6.272 -1.941 754 HB3 ARG 96 3HB ARG 96 -13.026 4.602 -2.321 755 HG2 ARG 96 2HG ARG 96 -13.472 3.987 0.047 756 HG3 ARG 96 3HG ARG 96 -13.933 5.660 0.372 757 HD2 ARG 96 2HD ARG 96 -15.931 4.317 0.053 758 HD3 ARG 96 3HD ARG 96 -15.776 5.431 -1.308 759 HE ARG 96 HE ARG 96 -14.787 3.478 -2.553 760 HH11 ARG 96 1HH1 ARG 96 -17.142 2.911 0.032 761 HH12 ARG 96 2HH1 ARG 96 -17.652 1.390 -0.628 762 HH21 ARG 96 1HH2 ARG 96 -15.431 1.483 -3.341 763 HH22 ARG 96 2HH2 ARG 96 -16.678 0.581 -2.539 764 H GLU 97 H GLU 97 -11.563 5.343 1.394 765 HA GLU 97 HA GLU 97 -11.993 8.092 2.104 766 HB2 GLU 97 2HB GLU 97 -11.256 5.721 3.870 767 HB3 GLU 97 3HB GLU 97 -11.691 7.315 4.472 768 HG2 GLU 97 2HG GLU 97 -13.468 5.344 3.026 769 HG3 GLU 97 3HG GLU 97 -13.600 5.891 4.691 770 H PHE 98 H PHE 98 -9.171 6.021 1.813 771 HA PHE 98 HA PHE 98 -7.265 7.765 3.013 772 HB2 PHE 98 2HB PHE 98 -6.578 5.468 2.609 773 HB3 PHE 98 3HB PHE 98 -6.930 5.595 0.887 774 HD1 PHE 98 HD1 PHE 98 -4.653 6.844 3.577 775 HD2 PHE 98 HD2 PHE 98 -5.253 6.398 -0.637 776 HE1 PHE 98 HE1 PHE 98 -2.363 7.627 3.154 777 HE2 PHE 98 HE2 PHE 98 -2.957 7.176 -1.044 778 HZ PHE 98 HZ PHE 98 -1.518 7.793 0.849 779 H LEU 99 H LEU 99 -8.226 7.224 -0.380 780 HA LEU 99 HA LEU 99 -6.683 9.242 -1.587 781 HB2 LEU 99 2HB LEU 99 -9.347 8.081 -2.503 782 HB3 LEU 99 3HB LEU 99 -8.202 8.936 -3.527 783 HG LEU 99 HG LEU 99 -7.559 6.306 -2.144 784 HD11 LEU 99 1HD1 LEU 99 -8.598 6.714 -4.959 785 HD12 LEU 99 2HD1 LEU 99 -9.401 5.871 -3.636 786 HD13 LEU 99 3HD1 LEU 99 -7.930 5.203 -4.336 787 HD21 LEU 99 3HD2 LEU 99 -5.696 6.154 -3.754 788 HD22 LEU 99 1HD2 LEU 99 -5.567 7.587 -2.728 789 HD23 LEU 99 2HD2 LEU 99 -6.123 7.746 -4.395 790 H LYS 100 H LYS 100 -9.778 9.279 -0.001 791 HA LYS 100 HA LYS 100 -10.843 11.770 -0.785 792 HB2 LYS 100 2HB LYS 100 -12.125 9.923 0.335 793 HB3 LYS 100 3HB LYS 100 -11.240 10.226 1.823 794 HG2 LYS 100 2HG LYS 100 -13.420 11.203 2.028 795 HG3 LYS 100 3HG LYS 100 -12.246 12.515 1.899 796 HD2 LYS 100 2HD LYS 100 -12.837 12.817 -0.485 797 HD3 LYS 100 3HD LYS 100 -13.990 11.484 -0.380 798 HE2 LYS 100 2HE LYS 100 -14.161 14.075 1.200 799 HE3 LYS 100 3HE LYS 100 -15.092 13.701 -0.251 800 HZ1 LYS 100 3HZ LYS 100 -16.376 13.296 1.739 801 HZ2 LYS 100 1HZ LYS 100 -15.211 12.216 2.316 802 HZ3 LYS 100 2HZ LYS 100 -16.092 11.842 0.927 803 H THR 101 H THR 101 -9.023 10.814 2.166 804 HA THR 101 HA THR 101 -8.723 13.520 3.103 805 HB THR 101 HB THR 101 -8.813 11.685 4.738 806 HG1 THR 101 HG1 THR 101 -7.366 12.584 6.065 807 HG21 THR 101 3HG2 THR 101 -6.921 10.157 5.113 808 HG22 THR 101 1HG2 THR 101 -6.106 10.796 3.680 809 HG23 THR 101 2HG2 THR 101 -7.621 9.906 3.514 810 H ALA 102 H ALA 102 -6.929 11.472 0.973 811 HA ALA 102 HA ALA 102 -4.331 12.663 1.305 812 HB1 ALA 102 3HB ALA 102 -5.358 10.880 -0.926 813 HB2 ALA 102 1HB ALA 102 -4.622 10.329 0.580 814 HB3 ALA 102 2HB ALA 102 -3.671 11.257 -0.574 815 H GLY 103 H GLY 103 -7.139 13.486 -0.566 816 HA2 GLY 103 2HA GLY 103 -6.066 15.100 -2.602 817 HA3 GLY 103 3HA GLY 103 -7.616 15.365 -1.809 818 H SER 104 H SER 104 -6.438 15.693 0.842 819 HA SER 104 HA SER 104 -4.988 18.272 0.608 820 HB2 SER 104 2HB SER 104 -6.131 18.882 2.804 821 HB3 SER 104 3HB SER 104 -7.231 18.739 1.435 822 HG SER 104 HG SER 104 -6.752 16.686 3.339 823 H LEU 105 H LEU 105 -2.898 17.654 0.984 824 HA LEU 105 HA LEU 105 -2.180 15.693 3.031 825 HB2 LEU 105 2HB LEU 105 -0.450 17.398 1.194 826 HB3 LEU 105 3HB LEU 105 0.149 16.109 2.226 827 HG LEU 105 HG LEU 105 -1.706 15.778 -0.165 828 HD11 LEU 105 1HD1 LEU 105 1.213 14.997 0.154 829 HD12 LEU 105 2HD1 LEU 105 0.573 16.291 -0.862 830 HD13 LEU 105 3HD1 LEU 105 0.188 14.613 -1.233 831 HD21 LEU 105 3HD2 LEU 105 -0.569 13.636 1.658 832 HD22 LEU 105 1HD2 LEU 105 -1.459 13.348 0.159 833 HD23 LEU 105 2HD2 LEU 105 -2.263 14.114 1.525 834 H GLU 106 H GLU 106 -1.846 16.275 5.091 835 HA GLU 106 HA GLU 106 -2.163 18.912 6.019 836 HB2 GLU 106 2HB GLU 106 -2.722 16.880 7.362 837 HB3 GLU 106 3HB GLU 106 -1.003 16.530 7.528 838 HG2 GLU 106 2HG GLU 106 -0.687 18.664 8.745 839 HG3 GLU 106 3HG GLU 106 -2.406 19.011 8.582 840 H HIS 107 H HIS 107 -0.793 20.499 5.907 841 HA HIS 107 HA HIS 107 1.944 20.255 5.160 842 HB2 HIS 107 2HB HIS 107 0.224 22.632 5.941 843 HB3 HIS 107 3HB HIS 107 1.931 22.808 5.539 844 HD1 HIS 107 HD1 HIS 107 2.623 22.322 3.066 845 HD2 HIS 107 HD2 HIS 107 -1.480 22.262 3.743 846 HE1 HIS 107 HE1 HIS 107 1.563 22.388 0.791 847 HE2 HIS 107 HE2 HIS 107 -0.912 22.485 1.230 848 H HIS 108 H HIS 108 2.937 19.062 6.761 849 HA HIS 108 HA HIS 108 4.023 20.805 8.863 850 HB2 HIS 108 2HB HIS 108 4.333 18.694 10.300 851 HB3 HIS 108 3HB HIS 108 2.703 19.329 10.202 852 HD1 HIS 108 HD1 HIS 108 0.901 17.763 9.351 853 HD2 HIS 108 HD2 HIS 108 4.723 16.216 8.844 854 HE1 HIS 108 HE1 HIS 108 0.584 15.381 8.622 855 HE2 HIS 108 HE2 HIS 108 2.895 14.423 8.536 856 H HIS 109 H HIS 109 6.064 21.178 8.288 857 HA HIS 109 HA HIS 109 7.429 19.541 6.354 858 HB2 HIS 109 2HB HIS 109 7.791 21.982 6.378 859 HB3 HIS 109 3HB HIS 109 8.484 21.888 7.999 860 HD1 HIS 109 HD1 HIS 109 10.960 21.390 8.142 861 HD2 HIS 109 HD2 HIS 109 9.425 20.629 4.351 862 HE1 HIS 109 HE1 HIS 109 12.941 20.801 6.712 863 HE2 HIS 109 HE2 HIS 109 11.985 20.274 4.455 864 H HIS 110 H HIS 110 8.107 17.620 6.981 865 HA HIS 110 HA HIS 110 9.110 16.835 9.494 866 HB2 HIS 110 2HB HIS 110 10.053 14.865 8.177 867 HB3 HIS 110 3HB HIS 110 8.327 15.137 7.985 868 HD1 HIS 110 HD1 HIS 110 7.486 15.298 5.637 869 HD2 HIS 110 HD2 HIS 110 11.606 15.794 5.843 870 HE1 HIS 110 HE1 HIS 110 8.279 15.376 3.259 871 HE2 HIS 110 HE2 HIS 110 10.732 15.888 3.420 872 H HIS 111 H HIS 111 11.175 16.875 10.352 873 HA HIS 111 HA HIS 111 13.046 18.783 9.203 874 HB2 HIS 111 2HB HIS 111 12.450 18.764 11.649 875 HB3 HIS 111 3HB HIS 111 13.226 17.195 11.805 876 HD1 HIS 111 HD1 HIS 111 15.309 17.583 13.094 877 HD2 HIS 111 HD2 HIS 111 14.706 20.578 10.272 878 HE1 HIS 111 HE1 HIS 111 17.304 19.098 13.277 879 HE2 HIS 111 HE2 HIS 111 16.971 20.829 11.480 880 H HIS 112 H HIS 112 13.642 17.608 7.327 881 HA HIS 112 HA HIS 112 15.542 15.369 7.729 882 HB2 HIS 112 2HB HIS 112 13.576 14.667 6.387 883 HB3 HIS 112 3HB HIS 112 13.840 15.994 5.257 884 HD1 HIS 112 HD1 HIS 112 15.367 15.495 3.301 885 HD2 HIS 112 HD2 HIS 112 15.766 12.684 6.332 886 HE1 HIS 112 HE1 HIS 112 16.854 13.704 2.370 887 HE2 HIS 112 HE2 HIS 112 16.858 11.914 4.120 Start of MODEL 7 1 H1 MET 1 1H MET 1 3.994 16.130 -0.716 2 H2 MET 1 2H MET 1 2.601 16.998 -0.318 3 H3 MET 1 3H MET 1 2.488 15.372 -0.744 4 HA MET 1 HA MET 1 3.859 16.446 1.640 5 HB2 MET 1 2HB MET 1 2.012 15.502 2.944 6 HB3 MET 1 3HB MET 1 1.388 16.640 1.761 7 HG2 MET 1 2HG MET 1 0.666 14.771 0.328 8 HG3 MET 1 3HG MET 1 1.317 13.619 1.495 9 HE1 MET 1 3HE MET 1 0.401 13.521 4.073 10 HE2 MET 1 1HE MET 1 -1.074 14.335 4.595 11 HE3 MET 1 2HE MET 1 0.382 15.275 4.279 12 H GLY 2 H GLY 2 3.116 13.685 -0.421 13 HA2 GLY 2 2HA GLY 2 4.097 11.617 -0.601 14 HA3 GLY 2 3HA GLY 2 5.257 12.089 0.633 15 H LYS 3 H LYS 3 1.944 10.895 0.118 16 HA LYS 3 HA LYS 3 2.022 9.632 2.792 17 HB2 LYS 3 2HB LYS 3 0.451 11.785 2.502 18 HB3 LYS 3 3HB LYS 3 -0.631 10.647 1.707 19 HG2 LYS 3 2HG LYS 3 -0.552 9.215 3.786 20 HG3 LYS 3 3HG LYS 3 0.413 10.477 4.558 21 HD2 LYS 3 2HD LYS 3 -1.561 12.067 4.084 22 HD3 LYS 3 3HD LYS 3 -2.483 10.626 3.647 23 HE2 LYS 3 2HE LYS 3 -1.239 11.222 6.354 24 HE3 LYS 3 3HE LYS 3 -2.958 11.216 5.959 25 HZ1 LYS 3 3HZ LYS 3 -2.766 8.842 5.465 26 HZ2 LYS 3 1HZ LYS 3 -2.347 9.200 7.058 27 HZ3 LYS 3 2HZ LYS 3 -1.141 8.872 5.929 28 H VAL 4 H VAL 4 1.322 7.551 2.846 29 HA VAL 4 HA VAL 4 0.100 6.323 0.475 30 HB VAL 4 HB VAL 4 2.544 6.204 0.103 31 HG11 VAL 4 1HG1 VAL 4 2.700 4.570 2.642 32 HG12 VAL 4 2HG1 VAL 4 3.324 6.212 2.430 33 HG13 VAL 4 3HG1 VAL 4 4.022 4.876 1.510 34 HG21 VAL 4 3HG2 VAL 4 2.709 3.795 -0.365 35 HG22 VAL 4 1HG2 VAL 4 1.114 4.418 -0.790 36 HG23 VAL 4 2HG2 VAL 4 1.328 3.487 0.693 37 H LEU 5 H LEU 5 -0.987 4.402 0.888 38 HA LEU 5 HA LEU 5 -1.460 3.690 3.721 39 HB2 LEU 5 2HB LEU 5 -3.434 4.449 2.432 40 HB3 LEU 5 3HB LEU 5 -3.142 3.210 1.222 41 HG LEU 5 HG LEU 5 -3.586 1.446 2.958 42 HD11 LEU 5 1HD1 LEU 5 -4.638 2.039 5.088 43 HD12 LEU 5 2HD1 LEU 5 -4.371 3.753 4.754 44 HD13 LEU 5 3HD1 LEU 5 -2.995 2.668 4.971 45 HD21 LEU 5 3HD2 LEU 5 -6.025 1.715 3.021 46 HD22 LEU 5 1HD2 LEU 5 -5.371 2.134 1.437 47 HD23 LEU 5 2HD2 LEU 5 -5.865 3.412 2.552 48 H LEU 6 H LEU 6 -0.139 2.056 4.234 49 HA LEU 6 HA LEU 6 0.717 -0.027 2.417 50 HB2 LEU 6 2HB LEU 6 2.228 0.890 4.164 51 HB3 LEU 6 3HB LEU 6 1.128 0.356 5.420 52 HG LEU 6 HG LEU 6 1.600 -2.025 4.791 53 HD11 LEU 6 1HD1 LEU 6 3.481 -2.564 3.322 54 HD12 LEU 6 2HD1 LEU 6 3.650 -0.858 2.894 55 HD13 LEU 6 3HD1 LEU 6 2.186 -1.742 2.453 56 HD21 LEU 6 3HD2 LEU 6 2.841 -0.971 6.623 57 HD22 LEU 6 1HD2 LEU 6 4.071 -0.400 5.492 58 HD23 LEU 6 2HD2 LEU 6 3.853 -2.133 5.768 59 H VAL 7 H VAL 7 -1.231 -1.067 1.852 60 HA VAL 7 HA VAL 7 -2.950 -2.305 3.837 61 HB VAL 7 HB VAL 7 -2.909 -2.664 0.795 62 HG11 VAL 7 1HG1 VAL 7 -3.963 -4.599 1.899 63 HG12 VAL 7 2HG1 VAL 7 -5.180 -3.631 1.069 64 HG13 VAL 7 3HG1 VAL 7 -5.019 -3.526 2.823 65 HG21 VAL 7 3HG2 VAL 7 -3.419 -0.349 1.438 66 HG22 VAL 7 1HG2 VAL 7 -4.685 -0.907 2.537 67 HG23 VAL 7 2HG2 VAL 7 -4.859 -1.139 0.793 68 H ILE 8 H ILE 8 -2.030 -3.890 4.932 69 HA ILE 8 HA ILE 8 -0.491 -6.029 3.628 70 HB ILE 8 HB ILE 8 -0.790 -5.426 6.615 71 HG12 ILE 8 2HG1 ILE 8 1.495 -4.765 4.695 72 HG13 ILE 8 3HG1 ILE 8 0.449 -3.613 5.513 73 HG21 ILE 8 1HG2 ILE 8 1.084 -7.361 5.188 74 HG22 ILE 8 2HG2 ILE 8 -0.320 -7.810 6.159 75 HG23 ILE 8 3HG2 ILE 8 1.065 -7.033 6.925 76 HD11 ILE 8 3HD1 ILE 8 2.642 -3.720 6.516 77 HD12 ILE 8 1HD1 ILE 8 2.438 -5.438 6.849 78 HD13 ILE 8 2HD1 ILE 8 1.406 -4.250 7.650 79 H SER 9 H SER 9 -1.746 -7.673 3.014 80 HA SER 9 HA SER 9 -3.757 -8.762 4.896 81 HB2 SER 9 2HB SER 9 -4.046 -8.766 1.863 82 HB3 SER 9 3HB SER 9 -5.251 -9.260 3.048 83 HG SER 9 HG SER 9 -4.894 -6.889 3.746 84 H THR 10 H THR 10 -3.419 -10.887 5.296 85 HA THR 10 HA THR 10 -1.241 -12.346 4.193 86 HB THR 10 HB THR 10 -3.592 -13.523 5.738 87 HG1 THR 10 HG1 THR 10 -1.355 -12.026 6.664 88 HG21 THR 10 3HG2 THR 10 -1.891 -15.084 6.631 89 HG22 THR 10 1HG2 THR 10 -0.640 -14.294 5.667 90 HG23 THR 10 2HG2 THR 10 -1.945 -15.177 4.869 91 H ASP 11 H ASP 11 -4.705 -12.222 3.538 92 HA ASP 11 HA ASP 11 -4.711 -14.349 1.570 93 HB2 ASP 11 2HB ASP 11 -6.820 -12.254 2.257 94 HB3 ASP 11 3HB ASP 11 -7.055 -13.547 1.086 95 H THR 12 H THR 12 -3.503 -13.917 -0.206 96 HA THR 12 HA THR 12 -3.233 -11.394 -1.501 97 HB THR 12 HB THR 12 -2.291 -12.793 -3.419 98 HG1 THR 12 HG1 THR 12 -3.545 -14.689 -3.012 99 HG21 THR 12 3HG2 THR 12 -0.788 -11.962 -1.634 100 HG22 THR 12 1HG2 THR 12 -0.281 -13.562 -2.185 101 HG23 THR 12 2HG2 THR 12 -1.141 -13.388 -0.654 102 H ASN 13 H ASN 13 -5.649 -13.860 -1.601 103 HA ASN 13 HA ASN 13 -6.934 -13.272 -4.058 104 HB2 ASN 13 2HB ASN 13 -7.426 -15.370 -2.911 105 HB3 ASN 13 3HB ASN 13 -7.992 -14.518 -1.476 106 HD21 ASN 13 1HD2 ASN 13 -10.052 -13.670 -1.456 107 HD22 ASN 13 2HD2 ASN 13 -11.233 -13.972 -2.676 108 H ILE 14 H ILE 14 -7.439 -12.141 -0.707 109 HA ILE 14 HA ILE 14 -9.643 -10.441 -1.309 110 HB ILE 14 HB ILE 14 -7.764 -10.490 1.097 111 HG12 ILE 14 2HG1 ILE 14 -9.088 -12.549 0.882 112 HG13 ILE 14 3HG1 ILE 14 -9.687 -11.618 2.245 113 HG21 ILE 14 1HG2 ILE 14 -9.465 -9.140 2.294 114 HG22 ILE 14 2HG2 ILE 14 -10.361 -8.945 0.786 115 HG23 ILE 14 3HG2 ILE 14 -8.745 -8.256 0.947 116 HD11 ILE 14 3HD1 ILE 14 -10.986 -11.826 -0.477 117 HD12 ILE 14 1HD1 ILE 14 -11.595 -10.871 0.880 118 HD13 ILE 14 2HD1 ILE 14 -11.500 -12.626 1.006 119 H ILE 15 H ILE 15 -6.128 -9.902 -1.045 120 HA ILE 15 HA ILE 15 -5.963 -7.170 -1.608 121 HB ILE 15 HB ILE 15 -4.137 -9.443 -2.525 122 HG12 ILE 15 2HG1 ILE 15 -3.803 -7.469 -0.216 123 HG13 ILE 15 3HG1 ILE 15 -4.359 -9.131 -0.049 124 HG21 ILE 15 1HG2 ILE 15 -2.385 -7.708 -2.926 125 HG22 ILE 15 2HG2 ILE 15 -3.591 -6.454 -2.649 126 HG23 ILE 15 3HG2 ILE 15 -3.760 -7.547 -4.020 127 HD11 ILE 15 3HD1 ILE 15 -2.048 -8.950 0.572 128 HD12 ILE 15 1HD1 ILE 15 -1.637 -8.257 -0.999 129 HD13 ILE 15 2HD1 ILE 15 -2.201 -9.927 -0.887 130 H SER 16 H SER 16 -6.132 -9.935 -3.853 131 HA SER 16 HA SER 16 -5.964 -8.536 -6.272 132 HB2 SER 16 2HB SER 16 -5.631 -11.028 -5.927 133 HB3 SER 16 3HB SER 16 -7.381 -11.207 -5.820 134 HG SER 16 HG SER 16 -7.110 -9.902 -7.987 135 H SER 17 H SER 17 -8.787 -9.446 -4.305 136 HA SER 17 HA SER 17 -10.809 -8.687 -6.124 137 HB2 SER 17 2HB SER 17 -10.914 -8.764 -3.080 138 HB3 SER 17 3HB SER 17 -12.305 -8.770 -4.164 139 HG SER 17 HG SER 17 -10.506 -10.753 -4.740 140 H VAL 18 H VAL 18 -9.438 -6.964 -3.301 141 HA VAL 18 HA VAL 18 -11.020 -4.627 -3.541 142 HB VAL 18 HB VAL 18 -8.406 -5.142 -2.048 143 HG11 VAL 18 1HG1 VAL 18 -10.269 -2.752 -1.785 144 HG12 VAL 18 2HG1 VAL 18 -8.613 -2.731 -2.394 145 HG13 VAL 18 3HG1 VAL 18 -8.923 -3.121 -0.703 146 HG21 VAL 18 3HG2 VAL 18 -9.827 -5.403 -0.062 147 HG22 VAL 18 1HG2 VAL 18 -10.319 -6.540 -1.318 148 HG23 VAL 18 2HG2 VAL 18 -11.275 -5.083 -1.022 149 H GLN 19 H GLN 19 -7.659 -5.337 -4.474 150 HA GLN 19 HA GLN 19 -6.926 -2.726 -5.236 151 HB2 GLN 19 2HB GLN 19 -5.238 -4.383 -4.646 152 HB3 GLN 19 3HB GLN 19 -5.714 -5.420 -5.990 153 HG2 GLN 19 2HG GLN 19 -4.892 -3.787 -7.593 154 HG3 GLN 19 3HG GLN 19 -4.537 -2.646 -6.295 155 HE21 GLN 19 1HE2 GLN 19 -2.683 -2.948 -5.064 156 HE22 GLN 19 2HE2 GLN 19 -1.465 -4.097 -5.468 157 H GLU 20 H GLU 20 -8.065 -5.543 -7.172 158 HA GLU 20 HA GLU 20 -7.865 -4.283 -9.714 159 HB2 GLU 20 2HB GLU 20 -9.546 -6.636 -8.775 160 HB3 GLU 20 3HB GLU 20 -9.577 -6.062 -10.443 161 HG2 GLU 20 2HG GLU 20 -7.138 -6.497 -10.631 162 HG3 GLU 20 3HG GLU 20 -7.129 -7.105 -8.974 163 H ARG 21 H ARG 21 -10.564 -4.484 -7.372 164 HA ARG 21 HA ARG 21 -12.494 -3.132 -8.958 165 HB2 ARG 21 2HB ARG 21 -12.253 -3.407 -5.933 166 HB3 ARG 21 3HB ARG 21 -13.614 -2.612 -6.717 167 HG2 ARG 21 2HG ARG 21 -14.135 -4.762 -7.890 168 HG3 ARG 21 3HG ARG 21 -12.832 -5.531 -6.980 169 HD2 ARG 21 2HD ARG 21 -14.005 -4.900 -4.854 170 HD3 ARG 21 3HD ARG 21 -15.338 -4.252 -5.824 171 HE ARG 21 HE ARG 21 -14.724 -6.985 -6.451 172 HH11 ARG 21 1HH1 ARG 21 -16.522 -4.967 -4.195 173 HH12 ARG 21 2HH1 ARG 21 -17.649 -6.221 -3.784 174 HH21 ARG 21 1HH2 ARG 21 -16.192 -8.628 -5.905 175 HH22 ARG 21 2HH2 ARG 21 -17.455 -8.306 -4.759 176 H ALA 22 H ALA 22 -10.017 -2.012 -6.711 177 HA ALA 22 HA ALA 22 -10.846 0.717 -6.619 178 HB1 ALA 22 3HB ALA 22 -8.726 1.102 -5.447 179 HB2 ALA 22 1HB ALA 22 -8.161 -0.514 -5.895 180 HB3 ALA 22 2HB ALA 22 -9.544 -0.325 -4.814 181 H LYS 23 H LYS 23 -8.654 -1.106 -8.709 182 HA LYS 23 HA LYS 23 -7.569 1.201 -10.076 183 HB2 LYS 23 2HB LYS 23 -7.504 -1.786 -10.681 184 HB3 LYS 23 3HB LYS 23 -6.724 -0.591 -11.715 185 HG2 LYS 23 2HG LYS 23 -5.229 0.067 -9.891 186 HG3 LYS 23 3HG LYS 23 -6.051 -1.040 -8.785 187 HD2 LYS 23 2HD LYS 23 -5.283 -2.978 -10.059 188 HD3 LYS 23 3HD LYS 23 -4.611 -1.937 -11.319 189 HE2 LYS 23 2HE LYS 23 -3.643 -1.981 -8.440 190 HE3 LYS 23 3HE LYS 23 -2.889 -2.864 -9.766 191 HZ1 LYS 23 3HZ LYS 23 -1.716 -0.834 -9.421 192 HZ2 LYS 23 1HZ LYS 23 -3.143 0.073 -9.508 193 HZ3 LYS 23 2HZ LYS 23 -2.559 -0.706 -10.880 194 H HIS 24 H HIS 24 -10.151 -1.150 -10.663 195 HA HIS 24 HA HIS 24 -10.719 -0.382 -13.361 196 HB2 HIS 24 2HB HIS 24 -11.287 -2.632 -12.511 197 HB3 HIS 24 3HB HIS 24 -12.403 -1.941 -11.340 198 HD1 HIS 24 HD1 HIS 24 -12.054 -2.711 -15.007 199 HD2 HIS 24 HD2 HIS 24 -14.925 -1.296 -12.364 200 HE1 HIS 24 HE1 HIS 24 -14.210 -2.747 -16.278 201 HE2 HIS 24 HE2 HIS 24 -15.871 -1.675 -14.729 202 H ASN 25 H ASN 25 -12.118 0.392 -10.202 203 HA ASN 25 HA ASN 25 -14.221 2.074 -11.297 204 HB2 ASN 25 2HB ASN 25 -14.642 0.681 -9.292 205 HB3 ASN 25 3HB ASN 25 -13.412 1.564 -8.391 206 HD21 ASN 25 1HD2 ASN 25 -13.890 3.703 -7.738 207 HD22 ASN 25 2HD2 ASN 25 -15.502 4.317 -7.708 208 H TYR 26 H TYR 26 -11.059 2.537 -9.708 209 HA TYR 26 HA TYR 26 -11.265 5.443 -10.313 210 HB2 TYR 26 2HB TYR 26 -9.333 4.182 -8.321 211 HB3 TYR 26 3HB TYR 26 -9.667 5.890 -8.562 212 HD1 TYR 26 HD1 TYR 26 -12.007 6.779 -7.914 213 HD2 TYR 26 HD2 TYR 26 -10.602 2.921 -6.723 214 HE1 TYR 26 HE1 TYR 26 -13.734 6.684 -6.170 215 HE2 TYR 26 HE2 TYR 26 -12.328 2.827 -4.981 216 HH TYR 26 HH TYR 26 -14.950 4.986 -4.905 217 HA PRO 27 HA PRO 27 -8.313 3.538 -13.372 218 HB2 PRO 27 2HB PRO 27 -8.979 5.097 -15.522 219 HB3 PRO 27 3HB PRO 27 -9.971 3.718 -15.002 220 HG2 PRO 27 2HG PRO 27 -10.376 6.642 -14.419 221 HG3 PRO 27 3HG PRO 27 -11.566 5.433 -14.957 222 HD2 PRO 27 2HD PRO 27 -11.332 6.167 -12.346 223 HD3 PRO 27 3HD PRO 27 -11.803 4.519 -12.827 224 H GLY 28 H GLY 28 -8.753 6.912 -12.482 225 HA2 GLY 28 2HA GLY 28 -6.082 7.714 -13.448 226 HA3 GLY 28 3HA GLY 28 -7.376 8.776 -12.900 227 H ARG 29 H ARG 29 -6.638 5.942 -11.022 228 HA ARG 29 HA ARG 29 -5.051 7.521 -9.075 229 HB2 ARG 29 2HB ARG 29 -7.043 5.256 -8.547 230 HB3 ARG 29 3HB ARG 29 -5.930 5.878 -7.329 231 HG2 ARG 29 2HG ARG 29 -8.077 7.514 -8.718 232 HG3 ARG 29 3HG ARG 29 -8.222 6.801 -7.110 233 HD2 ARG 29 2HD ARG 29 -6.399 8.203 -6.285 234 HD3 ARG 29 3HD ARG 29 -6.125 8.849 -7.910 235 HE ARG 29 HE ARG 29 -8.765 9.223 -6.736 236 HH11 ARG 29 1HH1 ARG 29 -5.637 10.666 -7.461 237 HH12 ARG 29 2HH1 ARG 29 -6.223 12.290 -7.288 238 HH21 ARG 29 1HH2 ARG 29 -9.526 11.344 -6.585 239 HH22 ARG 29 2HH2 ARG 29 -8.425 12.671 -6.792 240 H GLU 30 H GLU 30 -3.087 6.759 -8.623 241 HA GLU 30 HA GLU 30 -2.111 4.353 -9.962 242 HB2 GLU 30 2HB GLU 30 -0.537 6.401 -8.302 243 HB3 GLU 30 3HB GLU 30 0.140 5.133 -9.318 244 HG2 GLU 30 2HG GLU 30 0.383 7.215 -10.491 245 HG3 GLU 30 3HG GLU 30 -0.853 6.273 -11.325 246 H ILE 31 H ILE 31 -1.997 2.474 -8.908 247 HA ILE 31 HA ILE 31 -1.777 2.384 -5.947 248 HB ILE 31 HB ILE 31 -3.393 0.536 -7.775 249 HG12 ILE 31 2HG1 ILE 31 -4.326 2.412 -5.543 250 HG13 ILE 31 3HG1 ILE 31 -4.523 2.697 -7.268 251 HG21 ILE 31 1HG2 ILE 31 -2.295 -0.790 -6.026 252 HG22 ILE 31 2HG2 ILE 31 -4.031 -0.706 -5.730 253 HG23 ILE 31 3HG2 ILE 31 -2.926 0.290 -4.779 254 HD11 ILE 31 3HD1 ILE 31 -6.581 1.944 -6.283 255 HD12 ILE 31 1HD1 ILE 31 -5.806 0.480 -5.681 256 HD13 ILE 31 2HD1 ILE 31 -5.980 0.739 -7.420 257 H ARG 32 H ARG 32 -0.160 1.116 -5.214 258 HA ARG 32 HA ARG 32 1.612 -0.198 -7.170 259 HB2 ARG 32 2HB ARG 32 2.044 1.107 -4.464 260 HB3 ARG 32 3HB ARG 32 3.219 -0.053 -5.067 261 HG2 ARG 32 2HG ARG 32 2.417 2.509 -6.503 262 HG3 ARG 32 3HG ARG 32 3.870 2.288 -5.523 263 HD2 ARG 32 2HD ARG 32 4.418 0.319 -7.114 264 HD3 ARG 32 3HD ARG 32 3.181 0.998 -8.170 265 HE ARG 32 HE ARG 32 4.567 3.090 -8.150 266 HH11 ARG 32 1HH1 ARG 32 6.062 -0.063 -7.631 267 HH12 ARG 32 2HH1 ARG 32 7.617 0.441 -8.217 268 HH21 ARG 32 1HH2 ARG 32 6.641 3.734 -8.887 269 HH22 ARG 32 2HH2 ARG 32 7.935 2.581 -8.923 270 H THR 33 H THR 33 2.254 -2.298 -6.888 271 HA THR 33 HA THR 33 0.978 -3.913 -4.751 272 HB THR 33 HB THR 33 1.672 -4.991 -7.528 273 HG1 THR 33 HG1 THR 33 -0.732 -4.716 -7.816 274 HG21 THR 33 3HG2 THR 33 1.258 -6.669 -5.765 275 HG22 THR 33 1HG2 THR 33 -0.046 -6.682 -6.957 276 HG23 THR 33 2HG2 THR 33 -0.296 -5.911 -5.386 277 H ALA 34 H ALA 34 2.693 -4.127 -3.379 278 HA ALA 34 HA ALA 34 5.439 -4.305 -4.255 279 HB1 ALA 34 3HB ALA 34 4.200 -4.563 -1.500 280 HB2 ALA 34 1HB ALA 34 4.839 -3.087 -2.223 281 HB3 ALA 34 2HB ALA 34 5.929 -4.420 -1.836 282 H THR 35 H THR 35 6.233 -6.144 -5.002 283 HA THR 35 HA THR 35 5.264 -8.786 -4.159 284 HB THR 35 HB THR 35 7.369 -8.242 -6.297 285 HG1 THR 35 HG1 THR 35 5.574 -6.924 -6.785 286 HG21 THR 35 3HG2 THR 35 6.933 -10.630 -5.640 287 HG22 THR 35 1HG2 THR 35 6.516 -10.298 -7.324 288 HG23 THR 35 2HG2 THR 35 5.244 -10.422 -6.108 289 H SER 36 H SER 36 7.999 -6.646 -3.850 290 HA SER 36 HA SER 36 9.536 -8.555 -2.234 291 HB2 SER 36 2HB SER 36 10.376 -8.851 -4.550 292 HB3 SER 36 3HB SER 36 10.650 -7.116 -4.702 293 HG SER 36 HG SER 36 12.055 -9.034 -3.205 294 H SER 37 H SER 37 11.357 -7.438 -1.090 295 HA SER 37 HA SER 37 10.711 -4.871 -0.026 296 HB2 SER 37 2HB SER 37 12.910 -5.082 1.153 297 HB3 SER 37 3HB SER 37 11.925 -6.539 1.317 298 HG SER 37 HG SER 37 14.203 -6.107 -0.297 299 H GLN 38 H GLN 38 12.737 -6.001 -2.665 300 HA GLN 38 HA GLN 38 14.082 -3.541 -3.218 301 HB2 GLN 38 2HB GLN 38 14.889 -5.716 -4.090 302 HB3 GLN 38 3HB GLN 38 13.436 -5.887 -5.063 303 HG2 GLN 38 2HG GLN 38 15.345 -5.190 -6.444 304 HG3 GLN 38 3HG GLN 38 14.098 -3.944 -6.431 305 HE21 GLN 38 1HE2 GLN 38 14.553 -1.950 -5.447 306 HE22 GLN 38 2HE2 GLN 38 16.140 -1.502 -4.937 307 H ASP 39 H ASP 39 11.004 -4.965 -4.215 308 HA ASP 39 HA ASP 39 10.144 -2.990 -6.043 309 HB2 ASP 39 2HB ASP 39 9.131 -5.320 -5.593 310 HB3 ASP 39 3HB ASP 39 8.322 -4.618 -4.200 311 H ILE 40 H ILE 40 9.658 -3.393 -2.522 312 HA ILE 40 HA ILE 40 8.248 -1.119 -1.829 313 HB ILE 40 HB ILE 40 10.431 -2.640 -0.343 314 HG12 ILE 40 2HG1 ILE 40 8.288 -3.858 -0.761 315 HG13 ILE 40 3HG1 ILE 40 8.618 -3.645 0.951 316 HG21 ILE 40 1HG2 ILE 40 8.732 -0.418 0.826 317 HG22 ILE 40 2HG2 ILE 40 10.485 -0.411 0.611 318 HG23 ILE 40 3HG2 ILE 40 9.742 -1.525 1.758 319 HD11 ILE 40 3HD1 ILE 40 6.267 -3.337 0.420 320 HD12 ILE 40 1HD1 ILE 40 6.661 -2.015 -0.676 321 HD13 ILE 40 2HD1 ILE 40 6.965 -1.850 1.058 322 H ARG 41 H ARG 41 11.793 -1.473 -2.212 323 HA ARG 41 HA ARG 41 12.574 1.135 -1.561 324 HB2 ARG 41 2HB ARG 41 13.841 -0.923 -3.409 325 HB3 ARG 41 3HB ARG 41 14.628 0.598 -2.998 326 HG2 ARG 41 2HG ARG 41 13.817 -1.535 -0.988 327 HG3 ARG 41 3HG ARG 41 15.441 -1.323 -1.647 328 HD2 ARG 41 2HD ARG 41 15.541 0.949 -0.652 329 HD3 ARG 41 3HD ARG 41 13.924 0.720 0.024 330 HE ARG 41 HE ARG 41 14.969 -1.248 1.244 331 HH11 ARG 41 1HH1 ARG 41 16.839 1.636 0.466 332 HH12 ARG 41 2HH1 ARG 41 17.919 1.433 1.804 333 HH21 ARG 41 1HH2 ARG 41 16.347 -1.469 3.000 334 HH22 ARG 41 2HH2 ARG 41 17.639 -0.334 3.248 335 H ASP 42 H ASP 42 11.671 -0.255 -4.723 336 HA ASP 42 HA ASP 42 12.166 2.002 -6.345 337 HB2 ASP 42 2HB ASP 42 11.869 -0.304 -7.239 338 HB3 ASP 42 3HB ASP 42 10.174 -0.284 -6.765 339 H ILE 43 H ILE 43 9.287 0.968 -4.564 340 HA ILE 43 HA ILE 43 7.384 2.787 -5.580 341 HB ILE 43 HB ILE 43 7.484 1.363 -2.870 342 HG12 ILE 43 2HG1 ILE 43 5.882 0.647 -5.380 343 HG13 ILE 43 3HG1 ILE 43 7.386 -0.126 -4.912 344 HG21 ILE 43 1HG2 ILE 43 5.052 1.835 -2.691 345 HG22 ILE 43 2HG2 ILE 43 5.137 2.823 -4.148 346 HG23 ILE 43 3HG2 ILE 43 6.007 3.318 -2.695 347 HD11 ILE 43 3HD1 ILE 43 5.500 -1.504 -4.331 348 HD12 ILE 43 1HD1 ILE 43 4.799 -0.203 -3.367 349 HD13 ILE 43 2HD1 ILE 43 6.317 -0.955 -2.867 350 H ILE 44 H ILE 44 9.284 2.883 -2.541 351 HA ILE 44 HA ILE 44 8.385 5.421 -1.652 352 HB ILE 44 HB ILE 44 10.933 3.897 -0.904 353 HG12 ILE 44 2HG1 ILE 44 8.205 3.977 0.496 354 HG13 ILE 44 3HG1 ILE 44 8.799 2.639 -0.483 355 HG21 ILE 44 1HG2 ILE 44 9.587 6.197 0.577 356 HG22 ILE 44 2HG2 ILE 44 11.134 6.274 -0.268 357 HG23 ILE 44 3HG2 ILE 44 10.964 5.263 1.168 358 HD11 ILE 44 3HD1 ILE 44 10.596 2.262 1.113 359 HD12 ILE 44 1HD1 ILE 44 9.011 2.179 1.875 360 HD13 ILE 44 2HD1 ILE 44 10.015 3.610 2.097 361 H LYS 45 H LYS 45 11.170 4.388 -3.577 362 HA LYS 45 HA LYS 45 12.576 6.773 -3.892 363 HB2 LYS 45 2HB LYS 45 13.365 4.533 -4.649 364 HB3 LYS 45 3HB LYS 45 12.142 4.527 -5.905 365 HG2 LYS 45 2HG LYS 45 14.107 5.048 -7.050 366 HG3 LYS 45 3HG LYS 45 13.333 6.616 -6.850 367 HD2 LYS 45 2HD LYS 45 15.509 5.615 -4.967 368 HD3 LYS 45 3HD LYS 45 15.879 6.480 -6.454 369 HE2 LYS 45 2HE LYS 45 14.239 7.574 -4.141 370 HE3 LYS 45 3HE LYS 45 15.916 7.987 -4.505 371 HZ1 LYS 45 3HZ LYS 45 14.364 9.654 -5.314 372 HZ2 LYS 45 1HZ LYS 45 13.596 8.516 -6.293 373 HZ3 LYS 45 2HZ LYS 45 15.206 8.948 -6.591 374 H SER 46 H SER 46 9.754 5.534 -5.638 375 HA SER 46 HA SER 46 9.494 7.658 -7.528 376 HB2 SER 46 2HB SER 46 8.540 5.429 -7.924 377 HB3 SER 46 3HB SER 46 7.474 5.602 -6.530 378 HG SER 46 HG SER 46 7.226 6.596 -9.085 379 H MET 47 H MET 47 8.235 7.126 -4.256 380 HA MET 47 HA MET 47 6.308 9.236 -4.217 381 HB2 MET 47 2HB MET 47 7.722 7.865 -1.888 382 HB3 MET 47 3HB MET 47 6.333 8.932 -1.741 383 HG2 MET 47 2HG MET 47 5.194 7.208 -3.374 384 HG3 MET 47 3HG MET 47 6.459 6.128 -2.790 385 HE1 MET 47 3HE MET 47 4.647 9.047 -0.861 386 HE2 MET 47 1HE MET 47 3.318 8.168 -0.106 387 HE3 MET 47 2HE MET 47 3.372 8.338 -1.859 388 H LYS 48 H LYS 48 9.751 9.085 -3.558 389 HA LYS 48 HA LYS 48 10.049 11.677 -2.403 390 HB2 LYS 48 2HB LYS 48 12.097 10.085 -4.012 391 HB3 LYS 48 3HB LYS 48 12.442 11.429 -2.919 392 HG2 LYS 48 2HG LYS 48 11.661 10.103 -1.005 393 HG3 LYS 48 3HG LYS 48 11.259 8.763 -2.085 394 HD2 LYS 48 2HD LYS 48 13.710 8.731 -2.776 395 HD3 LYS 48 3HD LYS 48 14.017 9.877 -1.466 396 HE2 LYS 48 2HE LYS 48 13.061 8.196 0.126 397 HE3 LYS 48 3HE LYS 48 12.940 7.054 -1.214 398 HZ1 LYS 48 3HZ LYS 48 15.371 7.308 -1.514 399 HZ2 LYS 48 1HZ LYS 48 14.954 6.662 -0.014 400 HZ3 LYS 48 2HZ LYS 48 15.424 8.274 -0.128 401 H ASP 49 H ASP 49 10.036 10.449 -5.716 402 HA ASP 49 HA ASP 49 10.884 12.806 -7.058 403 HB2 ASP 49 2HB ASP 49 11.032 10.670 -8.189 404 HB3 ASP 49 3HB ASP 49 9.308 10.377 -8.002 405 H ASN 50 H ASN 50 7.693 11.532 -6.173 406 HA ASN 50 HA ASN 50 6.515 14.202 -6.445 407 HB2 ASN 50 2HB ASN 50 6.085 13.097 -8.656 408 HB3 ASN 50 3HB ASN 50 5.261 11.778 -7.826 409 HD21 ASN 50 1HD2 ASN 50 3.348 12.255 -9.011 410 HD22 ASN 50 2HD2 ASN 50 2.357 13.614 -8.616 411 H GLY 51 H GLY 51 5.752 14.532 -4.485 412 HA2 GLY 51 2HA GLY 51 5.094 12.381 -2.648 413 HA3 GLY 51 3HA GLY 51 5.215 14.093 -2.281 414 H LYS 52 H LYS 52 3.194 11.899 -4.192 415 HA LYS 52 HA LYS 52 0.738 13.425 -3.487 416 HB2 LYS 52 2HB LYS 52 -0.224 12.424 -5.516 417 HB3 LYS 52 3HB LYS 52 1.292 13.226 -5.915 418 HG2 LYS 52 2HG LYS 52 2.452 11.067 -5.969 419 HG3 LYS 52 3HG LYS 52 0.965 10.238 -5.491 420 HD2 LYS 52 2HD LYS 52 -0.112 11.073 -7.614 421 HD3 LYS 52 3HD LYS 52 1.454 11.750 -8.090 422 HE2 LYS 52 2HE LYS 52 1.125 9.585 -9.153 423 HE3 LYS 52 3HE LYS 52 2.439 9.472 -7.978 424 HZ1 LYS 52 3HZ LYS 52 0.806 8.552 -6.387 425 HZ2 LYS 52 1HZ LYS 52 1.017 7.583 -7.761 426 HZ3 LYS 52 2HZ LYS 52 -0.363 8.554 -7.609 427 HA PRO 53 HA PRO 53 -0.963 9.779 -1.302 428 HB2 PRO 53 2HB PRO 53 -3.439 9.354 -2.578 429 HB3 PRO 53 3HB PRO 53 -3.148 10.516 -1.270 430 HG2 PRO 53 2HG PRO 53 -3.257 11.006 -4.225 431 HG3 PRO 53 3HG PRO 53 -3.905 11.988 -2.891 432 HD2 PRO 53 2HD PRO 53 -1.620 12.680 -4.133 433 HD3 PRO 53 3HD PRO 53 -1.817 12.923 -2.380 434 H LEU 54 H LEU 54 -0.646 7.654 -1.463 435 HA LEU 54 HA LEU 54 -1.092 6.147 -3.946 436 HB2 LEU 54 2HB LEU 54 1.531 6.414 -2.469 437 HB3 LEU 54 3HB LEU 54 1.142 4.830 -3.112 438 HG LEU 54 HG LEU 54 1.365 7.371 -4.788 439 HD11 LEU 54 1HD1 LEU 54 3.306 5.042 -4.535 440 HD12 LEU 54 2HD1 LEU 54 3.542 6.674 -3.900 441 HD13 LEU 54 3HD1 LEU 54 3.454 6.417 -5.637 442 HD21 LEU 54 3HD2 LEU 54 0.981 4.473 -5.632 443 HD22 LEU 54 1HD2 LEU 54 1.261 5.838 -6.720 444 HD23 LEU 54 2HD2 LEU 54 -0.212 5.768 -5.759 445 H VAL 55 H VAL 55 -1.234 3.794 -3.530 446 HA VAL 55 HA VAL 55 -1.677 2.984 -0.717 447 HB VAL 55 HB VAL 55 -3.588 2.230 -3.010 448 HG11 VAL 55 1HG1 VAL 55 -3.714 1.566 -0.039 449 HG12 VAL 55 2HG1 VAL 55 -3.347 0.439 -1.349 450 HG13 VAL 55 3HG1 VAL 55 -4.950 1.165 -1.238 451 HG21 VAL 55 3HG2 VAL 55 -4.115 4.111 -0.665 452 HG22 VAL 55 1HG2 VAL 55 -5.322 3.569 -1.840 453 HG23 VAL 55 2HG2 VAL 55 -3.971 4.579 -2.361 454 H VAL 56 H VAL 56 -0.124 1.469 -0.414 455 HA VAL 56 HA VAL 56 0.725 -0.308 -2.614 456 HB VAL 56 HB VAL 56 1.980 0.245 0.118 457 HG11 VAL 56 1HG1 VAL 56 3.932 -1.070 -0.657 458 HG12 VAL 56 2HG1 VAL 56 3.054 -1.526 -2.120 459 HG13 VAL 56 3HG1 VAL 56 2.485 -2.073 -0.540 460 HG21 VAL 56 3HG2 VAL 56 3.740 1.389 -1.142 461 HG22 VAL 56 1HG2 VAL 56 2.169 2.112 -1.489 462 HG23 VAL 56 2HG2 VAL 56 2.920 1.032 -2.664 463 H PHE 57 H PHE 57 -0.549 -2.082 -2.745 464 HA PHE 57 HA PHE 57 -1.278 -3.689 -0.419 465 HB2 PHE 57 2HB PHE 57 -1.613 -4.117 -3.416 466 HB3 PHE 57 3HB PHE 57 -2.123 -5.282 -2.206 467 HD1 PHE 57 HD1 PHE 57 -2.679 -1.716 -3.263 468 HD2 PHE 57 HD2 PHE 57 -4.313 -5.173 -1.344 469 HE1 PHE 57 HE1 PHE 57 -4.883 -0.626 -3.151 470 HE2 PHE 57 HE2 PHE 57 -6.502 -4.068 -1.232 471 HZ PHE 57 HZ PHE 57 -6.788 -1.799 -2.134 472 H VAL 58 H VAL 58 0.367 -4.809 0.517 473 HA VAL 58 HA VAL 58 2.577 -5.903 -1.057 474 HB VAL 58 HB VAL 58 3.527 -6.660 1.109 475 HG11 VAL 58 1HG1 VAL 58 3.989 -4.421 2.093 476 HG12 VAL 58 2HG1 VAL 58 2.681 -3.740 1.119 477 HG13 VAL 58 3HG1 VAL 58 4.104 -4.422 0.332 478 HG21 VAL 58 3HG2 VAL 58 2.524 -6.001 3.269 479 HG22 VAL 58 1HG2 VAL 58 1.485 -7.120 2.385 480 HG23 VAL 58 2HG2 VAL 58 1.094 -5.401 2.421 481 H ASN 59 H ASN 59 2.252 -7.742 -2.120 482 HA ASN 59 HA ASN 59 0.184 -9.645 -1.451 483 HB2 ASN 59 2HB ASN 59 2.281 -9.541 -3.641 484 HB3 ASN 59 3HB ASN 59 1.372 -11.021 -3.369 485 HD21 ASN 59 1HD2 ASN 59 1.320 -9.474 -5.730 486 HD22 ASN 59 2HD2 ASN 59 -0.290 -8.902 -5.953 487 H GLY 60 H GLY 60 0.740 -10.276 0.651 488 HA2 GLY 60 2HA GLY 60 1.586 -11.699 2.237 489 HA3 GLY 60 3HA GLY 60 2.009 -12.756 0.893 490 H ALA 61 H ALA 61 3.266 -9.511 1.467 491 HA ALA 61 HA ALA 61 5.987 -10.370 1.148 492 HB1 ALA 61 3HB ALA 61 5.176 -8.199 0.283 493 HB2 ALA 61 1HB ALA 61 6.552 -8.007 1.370 494 HB3 ALA 61 2HB ALA 61 4.922 -7.637 1.937 495 H SER 62 H SER 62 7.690 -10.144 2.712 496 HA SER 62 HA SER 62 6.926 -11.255 5.263 497 HB2 SER 62 2HB SER 62 8.944 -12.036 4.034 498 HB3 SER 62 3HB SER 62 9.676 -10.441 4.200 499 HG SER 62 HG SER 62 9.627 -12.503 5.951 500 H GLN 63 H GLN 63 7.841 -10.399 7.325 501 HA GLN 63 HA GLN 63 7.074 -7.780 7.948 502 HB2 GLN 63 2HB GLN 63 7.244 -9.618 9.621 503 HB3 GLN 63 3HB GLN 63 8.995 -9.607 9.471 504 HG2 GLN 63 2HG GLN 63 8.249 -8.471 11.524 505 HG3 GLN 63 3HG GLN 63 9.090 -7.354 10.450 506 HE21 GLN 63 1HE2 GLN 63 7.926 -5.637 9.533 507 HE22 GLN 63 2HE2 GLN 63 6.338 -5.205 10.061 508 H ASN 64 H ASN 64 10.106 -9.093 6.796 509 HA ASN 64 HA ASN 64 11.890 -6.979 7.284 510 HB2 ASN 64 2HB ASN 64 11.812 -8.897 4.904 511 HB3 ASN 64 3HB ASN 64 13.181 -7.871 5.329 512 HD21 ASN 64 1HD2 ASN 64 14.522 -9.654 5.557 513 HD22 ASN 64 2HD2 ASN 64 14.424 -10.725 6.907 514 H ASP 65 H ASP 65 9.779 -7.634 4.488 515 HA ASP 65 HA ASP 65 10.394 -5.416 2.876 516 HB2 ASP 65 2HB ASP 65 7.700 -6.851 3.085 517 HB3 ASP 65 3HB ASP 65 8.230 -5.838 1.746 518 H VAL 66 H VAL 66 8.026 -5.889 5.434 519 HA VAL 66 HA VAL 66 6.682 -3.390 5.245 520 HB VAL 66 HB VAL 66 6.905 -5.267 7.652 521 HG11 VAL 66 1HG1 VAL 66 6.074 -3.040 8.300 522 HG12 VAL 66 2HG1 VAL 66 4.791 -4.244 8.423 523 HG13 VAL 66 3HG1 VAL 66 4.823 -3.128 7.055 524 HG21 VAL 66 3HG2 VAL 66 6.050 -6.445 5.655 525 HG22 VAL 66 1HG2 VAL 66 4.800 -5.215 5.447 526 HG23 VAL 66 2HG2 VAL 66 4.780 -6.265 6.868 527 H ASN 67 H ASN 67 9.517 -4.504 7.077 528 HA ASN 67 HA ASN 67 9.869 -2.162 8.683 529 HB2 ASN 67 2HB ASN 67 11.900 -4.310 7.882 530 HB3 ASN 67 3HB ASN 67 12.214 -3.042 9.067 531 HD21 ASN 67 1HD2 ASN 67 12.254 -5.923 9.440 532 HD22 ASN 67 2HD2 ASN 67 11.089 -6.280 10.663 533 H GLU 68 H GLU 68 11.189 -3.250 5.571 534 HA GLU 68 HA GLU 68 12.930 -1.162 4.942 535 HB2 GLU 68 2HB GLU 68 11.176 -2.891 3.121 536 HB3 GLU 68 3HB GLU 68 12.430 -1.811 2.520 537 HG2 GLU 68 2HG GLU 68 13.049 -4.014 4.493 538 HG3 GLU 68 3HG GLU 68 12.981 -4.322 2.763 539 H PHE 69 H PHE 69 9.451 -1.533 4.468 540 HA PHE 69 HA PHE 69 8.957 0.784 2.975 541 HB2 PHE 69 2HB PHE 69 7.413 -1.230 3.273 542 HB3 PHE 69 3HB PHE 69 6.978 -0.586 4.853 543 HD1 PHE 69 HD2 PHE 69 6.824 0.004 1.201 544 HD2 PHE 69 HD1 PHE 69 5.434 1.310 5.035 545 HE1 PHE 69 HE2 PHE 69 5.122 1.397 0.112 546 HE2 PHE 69 HE1 PHE 69 3.739 2.711 3.926 547 HZ PHE 69 HZ PHE 69 3.589 2.738 1.470 548 H GLN 70 H GLN 70 8.579 0.144 6.448 549 HA GLN 70 HA GLN 70 7.538 2.668 7.142 550 HB2 GLN 70 2HB GLN 70 8.848 0.520 8.858 551 HB3 GLN 70 3HB GLN 70 7.988 1.922 9.506 552 HG2 GLN 70 2HG GLN 70 5.913 1.174 8.405 553 HG3 GLN 70 3HG GLN 70 6.761 -0.210 7.723 554 HE21 GLN 70 1HE2 GLN 70 7.437 -1.889 9.129 555 HE22 GLN 70 2HE2 GLN 70 6.699 -2.107 10.673 556 H ASN 71 H ASN 71 10.849 1.333 7.525 557 HA ASN 71 HA ASN 71 11.959 3.622 8.776 558 HB2 ASN 71 2HB ASN 71 13.263 1.238 7.407 559 HB3 ASN 71 3HB ASN 71 14.223 2.553 8.082 560 HD21 ASN 71 1HD2 ASN 71 12.385 -0.249 8.822 561 HD22 ASN 71 2HD2 ASN 71 12.602 -0.218 10.522 562 H GLU 72 H GLU 72 12.109 2.497 5.364 563 HA GLU 72 HA GLU 72 13.751 4.662 4.534 564 HB2 GLU 72 2HB GLU 72 12.111 2.753 2.856 565 HB3 GLU 72 3HB GLU 72 13.266 3.914 2.208 566 HG2 GLU 72 2HG GLU 72 13.846 1.534 3.983 567 HG3 GLU 72 3HG GLU 72 14.311 1.745 2.297 568 H ALA 73 H ALA 73 10.288 4.374 4.875 569 HA ALA 73 HA ALA 73 9.650 6.751 3.369 570 HB1 ALA 73 3HB ALA 73 8.024 5.264 5.461 571 HB2 ALA 73 1HB ALA 73 7.985 4.983 3.720 572 HB3 ALA 73 2HB ALA 73 7.411 6.518 4.378 573 H LYS 74 H LYS 74 10.004 6.042 6.898 574 HA LYS 74 HA LYS 74 9.176 8.634 7.745 575 HB2 LYS 74 2HB LYS 74 9.828 7.964 10.031 576 HB3 LYS 74 3HB LYS 74 8.855 6.751 9.238 577 HG2 LYS 74 2HG LYS 74 10.393 5.414 10.301 578 HG3 LYS 74 3HG LYS 74 11.184 5.605 8.737 579 HD2 LYS 74 2HD LYS 74 12.598 7.420 9.715 580 HD3 LYS 74 3HD LYS 74 11.819 7.163 11.279 581 HE2 LYS 74 2HE LYS 74 13.466 5.106 9.763 582 HE3 LYS 74 3HE LYS 74 14.018 6.049 11.148 583 HZ1 LYS 74 3HZ LYS 74 13.318 3.787 11.738 584 HZ2 LYS 74 1HZ LYS 74 11.751 4.129 11.214 585 HZ3 LYS 74 2HZ LYS 74 12.400 4.964 12.532 586 H LYS 75 H LYS 75 12.327 7.308 6.985 587 HA LYS 75 HA LYS 75 13.903 9.275 8.306 588 HB2 LYS 75 2HB LYS 75 15.787 8.354 7.122 589 HB3 LYS 75 3HB LYS 75 14.719 7.023 7.553 590 HG2 LYS 75 2HG LYS 75 13.774 7.220 5.166 591 HG3 LYS 75 3HG LYS 75 15.162 8.254 4.823 592 HD2 LYS 75 2HD LYS 75 15.247 5.355 5.738 593 HD3 LYS 75 3HD LYS 75 15.553 5.943 4.110 594 HE2 LYS 75 2HE LYS 75 17.564 7.141 4.951 595 HE3 LYS 75 3HE LYS 75 17.265 6.462 6.556 596 HZ1 LYS 75 3HZ LYS 75 17.482 4.240 5.621 597 HZ2 LYS 75 1HZ LYS 75 18.878 5.145 5.317 598 HZ3 LYS 75 2HZ LYS 75 17.753 4.880 4.083 599 H GLU 76 H GLU 76 12.233 9.221 5.259 600 HA GLU 76 HA GLU 76 13.511 11.658 4.234 601 HB2 GLU 76 2HB GLU 76 11.340 9.885 3.030 602 HB3 GLU 76 3HB GLU 76 12.181 11.195 2.204 603 HG2 GLU 76 2HG GLU 76 13.482 8.651 3.230 604 HG3 GLU 76 3HG GLU 76 13.007 8.962 1.564 605 H GLY 77 H GLY 77 10.752 10.717 6.050 606 HA2 GLY 77 2HA GLY 77 9.107 12.062 7.012 607 HA3 GLY 77 3HA GLY 77 9.544 13.381 5.935 608 H VAL 78 H VAL 78 9.138 10.407 4.304 609 HA VAL 78 HA VAL 78 6.643 11.068 3.078 610 HB VAL 78 HB VAL 78 8.097 8.369 3.174 611 HG11 VAL 78 1HG1 VAL 78 5.899 9.288 1.280 612 HG12 VAL 78 2HG1 VAL 78 5.729 8.086 2.561 613 HG13 VAL 78 3HG1 VAL 78 6.775 7.756 1.179 614 HG21 VAL 78 3HG2 VAL 78 9.002 8.944 0.946 615 HG22 VAL 78 1HG2 VAL 78 9.518 10.111 2.167 616 HG23 VAL 78 2HG2 VAL 78 8.230 10.530 1.033 617 H SER 79 H SER 79 4.973 11.265 4.445 618 HA SER 79 HA SER 79 4.627 9.849 6.881 619 HB2 SER 79 2HB SER 79 2.377 11.053 6.853 620 HB3 SER 79 3HB SER 79 3.793 12.094 6.721 621 HG SER 79 HG SER 79 2.700 11.212 4.317 622 H TYR 80 H TYR 80 4.623 7.681 6.385 623 HA TYR 80 HA TYR 80 2.656 6.516 4.587 624 HB2 TYR 80 2HB TYR 80 3.709 4.381 5.112 625 HB3 TYR 80 3HB TYR 80 4.963 5.562 4.762 626 HD1 TYR 80 HD2 TYR 80 6.280 6.577 6.702 627 HD2 TYR 80 HD1 TYR 80 3.625 3.274 7.248 628 HE1 TYR 80 HE2 TYR 80 7.327 6.085 8.862 629 HE2 TYR 80 HE1 TYR 80 4.682 2.794 9.409 630 HH TYR 80 HH TYR 80 6.749 3.175 10.560 631 H ASP 81 H ASP 81 1.148 4.924 5.307 632 HA ASP 81 HA ASP 81 0.316 5.002 8.150 633 HB2 ASP 81 2HB ASP 81 -1.262 6.284 6.583 634 HB3 ASP 81 3HB ASP 81 -1.568 4.775 5.731 635 H VAL 82 H VAL 82 -0.311 2.894 8.945 636 HA VAL 82 HA VAL 82 0.325 0.619 7.123 637 HB VAL 82 HB VAL 82 0.823 0.720 10.147 638 HG11 VAL 82 1HG1 VAL 82 1.998 -1.437 9.825 639 HG12 VAL 82 2HG1 VAL 82 1.527 -1.449 8.122 640 HG13 VAL 82 3HG1 VAL 82 0.294 -1.559 9.382 641 HG21 VAL 82 3HG2 VAL 82 2.428 2.155 8.955 642 HG22 VAL 82 1HG2 VAL 82 2.850 0.820 7.877 643 HG23 VAL 82 2HG2 VAL 82 3.230 0.721 9.600 644 H LEU 83 H LEU 83 -1.137 -0.970 6.994 645 HA LEU 83 HA LEU 83 -3.504 -1.036 8.766 646 HB2 LEU 83 2HB LEU 83 -4.101 0.277 6.772 647 HB3 LEU 83 3HB LEU 83 -3.458 -0.966 5.710 648 HG LEU 83 HG LEU 83 -5.283 -2.514 6.449 649 HD11 LEU 83 1HD1 LEU 83 -6.369 -0.149 8.005 650 HD12 LEU 83 2HD1 LEU 83 -5.719 -1.643 8.686 651 HD13 LEU 83 3HD1 LEU 83 -7.200 -1.686 7.734 652 HD21 LEU 83 3HD2 LEU 83 -5.565 -1.211 4.411 653 HD22 LEU 83 1HD2 LEU 83 -6.238 0.142 5.327 654 HD23 LEU 83 2HD2 LEU 83 -7.112 -1.390 5.234 655 H LYS 84 H LYS 84 -3.441 -3.070 9.634 656 HA LYS 84 HA LYS 84 -2.858 -5.375 7.845 657 HB2 LYS 84 2HB LYS 84 -2.601 -5.103 10.870 658 HB3 LYS 84 3HB LYS 84 -2.731 -6.679 10.101 659 HG2 LYS 84 2HG LYS 84 -0.417 -6.362 10.410 660 HG3 LYS 84 3HG LYS 84 -0.695 -6.031 8.701 661 HD2 LYS 84 2HD LYS 84 0.720 -4.276 9.284 662 HD3 LYS 84 3HD LYS 84 -0.852 -3.512 9.482 663 HE2 LYS 84 2HE LYS 84 0.918 -4.629 11.685 664 HE3 LYS 84 3HE LYS 84 0.620 -2.932 11.327 665 HZ1 LYS 84 3HZ LYS 84 -0.681 -3.620 13.204 666 HZ2 LYS 84 1HZ LYS 84 -1.384 -4.886 12.329 667 HZ3 LYS 84 2HZ LYS 84 -1.718 -3.287 11.914 668 H SER 85 H SER 85 -4.704 -5.954 6.958 669 HA SER 85 HA SER 85 -6.933 -6.937 8.513 670 HB2 SER 85 2HB SER 85 -7.584 -4.562 8.470 671 HB3 SER 85 3HB SER 85 -7.318 -4.475 6.733 672 HG SER 85 HG SER 85 -9.487 -5.379 8.137 673 H THR 86 H THR 86 -8.067 -8.479 7.351 674 HA THR 86 HA THR 86 -7.488 -8.784 4.446 675 HB THR 86 HB THR 86 -8.005 -11.258 4.845 676 HG1 THR 86 HG1 THR 86 -9.032 -11.020 6.876 677 HG21 THR 86 3HG2 THR 86 -5.660 -10.547 4.600 678 HG22 THR 86 1HG2 THR 86 -5.791 -11.834 5.801 679 HG23 THR 86 2HG2 THR 86 -5.581 -10.159 6.320 680 H ASP 87 H ASP 87 -9.667 -7.321 6.041 681 HA ASP 87 HA ASP 87 -12.118 -8.743 5.328 682 HB2 ASP 87 2HB ASP 87 -11.752 -5.936 6.492 683 HB3 ASP 87 3HB ASP 87 -13.287 -6.784 6.315 684 HA PRO 88 HA PRO 88 -11.595 -6.985 1.142 685 HB2 PRO 88 2HB PRO 88 -14.089 -7.881 0.160 686 HB3 PRO 88 3HB PRO 88 -12.585 -8.822 0.159 687 HG2 PRO 88 2HG PRO 88 -14.845 -8.905 2.128 688 HG3 PRO 88 3HG PRO 88 -13.897 -10.246 1.443 689 HD2 PRO 88 2HD PRO 88 -13.406 -9.363 3.926 690 HD3 PRO 88 3HD PRO 88 -12.066 -9.859 2.865 691 H GLU 89 H GLU 89 -14.650 -6.618 2.945 692 HA GLU 89 HA GLU 89 -15.659 -4.379 1.584 693 HB2 GLU 89 2HB GLU 89 -17.135 -4.081 3.551 694 HB3 GLU 89 3HB GLU 89 -17.072 -5.758 3.022 695 HG2 GLU 89 2HG GLU 89 -15.552 -6.311 4.869 696 HG3 GLU 89 3HG GLU 89 -15.532 -4.628 5.386 697 H GLU 90 H GLU 90 -13.557 -4.600 4.465 698 HA GLU 90 HA GLU 90 -13.649 -1.826 5.117 699 HB2 GLU 90 2HB GLU 90 -13.091 -3.634 6.792 700 HB3 GLU 90 3HB GLU 90 -11.538 -3.853 5.987 701 HG2 GLU 90 2HG GLU 90 -11.136 -1.351 6.401 702 HG3 GLU 90 3HG GLU 90 -12.533 -1.395 7.473 703 H LEU 91 H LEU 91 -11.225 -3.924 3.562 704 HA LEU 91 HA LEU 91 -9.219 -2.025 3.169 705 HB2 LEU 91 2HB LEU 91 -9.865 -4.501 1.525 706 HB3 LEU 91 3HB LEU 91 -8.360 -3.599 1.417 707 HG LEU 91 HG LEU 91 -9.336 -5.117 3.878 708 HD11 LEU 91 1HD1 LEU 91 -7.099 -5.785 1.935 709 HD12 LEU 91 2HD1 LEU 91 -8.658 -6.605 2.047 710 HD13 LEU 91 3HD1 LEU 91 -7.525 -6.691 3.391 711 HD21 LEU 91 3HD2 LEU 91 -8.026 -3.172 4.535 712 HD22 LEU 91 1HD2 LEU 91 -6.731 -3.630 3.425 713 HD23 LEU 91 2HD2 LEU 91 -7.109 -4.649 4.816 714 H THR 92 H THR 92 -11.983 -2.924 1.107 715 HA THR 92 HA THR 92 -11.393 -1.358 -1.156 716 HB THR 92 HB THR 92 -14.113 -2.233 -0.077 717 HG1 THR 92 HG1 THR 92 -12.473 -3.843 -0.778 718 HG21 THR 92 3HG2 THR 92 -14.437 -0.362 -1.669 719 HG22 THR 92 1HG2 THR 92 -14.971 -1.888 -2.385 720 HG23 THR 92 2HG2 THR 92 -13.421 -1.185 -2.853 721 H GLN 93 H GLN 93 -13.366 -0.560 1.756 722 HA GLN 93 HA GLN 93 -13.869 2.115 0.859 723 HB2 GLN 93 2HB GLN 93 -14.983 2.507 2.926 724 HB3 GLN 93 3HB GLN 93 -15.357 0.860 2.443 725 HG2 GLN 93 2HG GLN 93 -13.739 0.007 4.082 726 HG3 GLN 93 3HG GLN 93 -13.337 1.650 4.558 727 HE21 GLN 93 1HE2 GLN 93 -16.137 2.594 4.508 728 HE22 GLN 93 2HE2 GLN 93 -16.902 1.883 5.881 729 H ARG 94 H ARG 94 -11.264 0.647 2.730 730 HA ARG 94 HA ARG 94 -10.231 2.972 3.974 731 HB2 ARG 94 2HB ARG 94 -8.885 0.337 3.235 732 HB3 ARG 94 3HB ARG 94 -8.034 1.625 4.079 733 HG2 ARG 94 2HG ARG 94 -10.491 0.180 5.131 734 HG3 ARG 94 3HG ARG 94 -8.826 -0.152 5.600 735 HD2 ARG 94 2HD ARG 94 -8.634 2.125 6.527 736 HD3 ARG 94 3HD ARG 94 -10.305 2.462 6.052 737 HE ARG 94 HE ARG 94 -9.784 0.196 7.858 738 HH11 ARG 94 1HH1 ARG 94 -11.025 3.478 7.493 739 HH12 ARG 94 2HH1 ARG 94 -11.863 3.459 9.012 740 HH21 ARG 94 1HH2 ARG 94 -10.885 0.198 9.841 741 HH22 ARG 94 2HH2 ARG 94 -11.780 1.600 10.338 742 H VAL 95 H VAL 95 -9.583 1.459 0.811 743 HA VAL 95 HA VAL 95 -7.443 3.086 -0.015 744 HB VAL 95 HB VAL 95 -9.597 1.746 -1.722 745 HG11 VAL 95 1HG1 VAL 95 -6.910 2.888 -2.608 746 HG12 VAL 95 2HG1 VAL 95 -8.506 3.510 -3.038 747 HG13 VAL 95 3HG1 VAL 95 -7.995 1.926 -3.619 748 HG21 VAL 95 3HG2 VAL 95 -6.797 0.789 -0.999 749 HG22 VAL 95 1HG2 VAL 95 -7.928 -0.043 -2.073 750 HG23 VAL 95 2HG2 VAL 95 -8.309 0.144 -0.362 751 H ARG 96 H ARG 96 -10.977 3.467 -0.667 752 HA ARG 96 HA ARG 96 -10.644 5.922 -2.087 753 HB2 ARG 96 2HB ARG 96 -13.085 6.031 -2.180 754 HB3 ARG 96 3HB ARG 96 -12.502 4.428 -2.577 755 HG2 ARG 96 2HG ARG 96 -14.288 3.848 -1.262 756 HG3 ARG 96 3HG ARG 96 -13.046 3.944 -0.014 757 HD2 ARG 96 2HD ARG 96 -15.130 5.050 0.694 758 HD3 ARG 96 3HD ARG 96 -13.801 6.210 0.587 759 HE ARG 96 HE ARG 96 -15.510 5.984 -1.766 760 HH11 ARG 96 1HH1 ARG 96 -14.899 7.808 1.193 761 HH12 ARG 96 2HH1 ARG 96 -15.779 9.193 0.652 762 HH21 ARG 96 1HH2 ARG 96 -16.626 7.819 -2.460 763 HH22 ARG 96 2HH2 ARG 96 -16.761 9.205 -1.422 764 H GLU 97 H GLU 97 -11.348 5.192 1.292 765 HA GLU 97 HA GLU 97 -11.946 7.817 2.176 766 HB2 GLU 97 2HB GLU 97 -10.787 5.408 3.636 767 HB3 GLU 97 3HB GLU 97 -11.115 6.929 4.458 768 HG2 GLU 97 2HG GLU 97 -13.177 5.193 3.066 769 HG3 GLU 97 3HG GLU 97 -12.899 5.274 4.804 770 H PHE 98 H PHE 98 -8.949 6.039 1.629 771 HA PHE 98 HA PHE 98 -7.209 7.943 2.848 772 HB2 PHE 98 2HB PHE 98 -6.598 5.518 2.563 773 HB3 PHE 98 3HB PHE 98 -6.477 5.771 0.823 774 HD1 PHE 98 HD1 PHE 98 -5.055 6.768 4.115 775 HD2 PHE 98 HD2 PHE 98 -4.469 6.746 -0.130 776 HE1 PHE 98 HE1 PHE 98 -2.763 7.598 4.418 777 HE2 PHE 98 HE2 PHE 98 -2.176 7.571 0.193 778 HZ PHE 98 HZ PHE 98 -1.338 7.998 2.464 779 H LEU 99 H LEU 99 -8.292 7.312 -0.478 780 HA LEU 99 HA LEU 99 -6.683 9.212 -1.826 781 HB2 LEU 99 2HB LEU 99 -9.456 8.181 -2.560 782 HB3 LEU 99 3HB LEU 99 -8.367 9.019 -3.659 783 HG LEU 99 HG LEU 99 -7.820 6.302 -2.393 784 HD11 LEU 99 1HD1 LEU 99 -8.672 6.940 -5.232 785 HD12 LEU 99 2HD1 LEU 99 -9.647 6.142 -3.995 786 HD13 LEU 99 3HD1 LEU 99 -8.206 5.348 -4.622 787 HD21 LEU 99 3HD2 LEU 99 -6.228 7.806 -4.494 788 HD22 LEU 99 1HD2 LEU 99 -5.911 6.156 -3.944 789 HD23 LEU 99 2HD2 LEU 99 -5.740 7.505 -2.824 790 H LYS 100 H LYS 100 -9.715 9.439 -0.095 791 HA LYS 100 HA LYS 100 -10.421 12.117 -0.785 792 HB2 LYS 100 2HB LYS 100 -11.887 10.199 0.220 793 HB3 LYS 100 3HB LYS 100 -11.216 10.644 1.773 794 HG2 LYS 100 2HG LYS 100 -12.709 12.628 0.047 795 HG3 LYS 100 3HG LYS 100 -13.551 11.520 1.113 796 HD2 LYS 100 2HD LYS 100 -13.421 13.231 2.624 797 HD3 LYS 100 3HD LYS 100 -11.782 12.648 2.893 798 HE2 LYS 100 2HE LYS 100 -11.848 15.095 2.609 799 HE3 LYS 100 3HE LYS 100 -10.921 14.334 1.318 800 HZ1 LYS 100 3HZ LYS 100 -13.719 15.315 1.114 801 HZ2 LYS 100 1HZ LYS 100 -12.879 14.527 -0.122 802 HZ3 LYS 100 2HZ LYS 100 -12.347 16.027 0.429 803 H THR 101 H THR 101 -8.834 10.681 2.140 804 HA THR 101 HA THR 101 -8.627 13.263 3.395 805 HB THR 101 HB THR 101 -9.031 11.289 4.786 806 HG1 THR 101 HG1 THR 101 -7.642 13.202 5.500 807 HG21 THR 101 3HG2 THR 101 -7.254 9.656 5.262 808 HG22 THR 101 1HG2 THR 101 -6.217 10.424 4.057 809 HG23 THR 101 2HG2 THR 101 -7.705 9.618 3.556 810 H ALA 102 H ALA 102 -6.328 11.174 1.697 811 HA ALA 102 HA ALA 102 -4.007 12.789 2.367 812 HB1 ALA 102 3HB ALA 102 -3.801 10.341 2.138 813 HB2 ALA 102 1HB ALA 102 -2.763 11.188 0.992 814 HB3 ALA 102 2HB ALA 102 -4.272 10.451 0.441 815 H GLY 103 H GLY 103 -6.356 12.541 -0.218 816 HA2 GLY 103 2HA GLY 103 -4.891 14.542 -1.859 817 HA3 GLY 103 3HA GLY 103 -6.191 13.499 -2.430 818 H SER 104 H SER 104 -7.192 15.438 -3.200 819 HA SER 104 HA SER 104 -8.641 17.132 -3.312 820 HB2 SER 104 2HB SER 104 -10.702 16.956 -1.942 821 HB3 SER 104 3HB SER 104 -10.187 15.386 -2.549 822 HG SER 104 HG SER 104 -9.285 14.993 -0.480 823 H LEU 105 H LEU 105 -8.348 16.962 0.236 824 HA LEU 105 HA LEU 105 -8.548 19.686 0.862 825 HB2 LEU 105 2HB LEU 105 -6.970 17.635 2.469 826 HB3 LEU 105 3HB LEU 105 -7.818 19.046 3.088 827 HG LEU 105 HG LEU 105 -9.096 16.513 1.972 828 HD11 LEU 105 1HD1 LEU 105 -9.855 16.098 4.263 829 HD12 LEU 105 2HD1 LEU 105 -9.004 17.540 4.825 830 HD13 LEU 105 3HD1 LEU 105 -8.095 16.172 4.176 831 HD21 LEU 105 3HD2 LEU 105 -10.504 18.417 1.411 832 HD22 LEU 105 1HD2 LEU 105 -10.465 18.986 3.082 833 HD23 LEU 105 2HD2 LEU 105 -11.265 17.463 2.681 834 H GLU 106 H GLU 106 -6.833 21.130 1.755 835 HA GLU 106 HA GLU 106 -4.405 21.126 0.193 836 HB2 GLU 106 2HB GLU 106 -3.834 23.201 1.380 837 HB3 GLU 106 3HB GLU 106 -5.475 23.266 0.754 838 HG2 GLU 106 2HG GLU 106 -6.429 23.004 2.940 839 HG3 GLU 106 3HG GLU 106 -4.877 22.559 3.643 840 H HIS 107 H HIS 107 -2.367 20.459 0.821 841 HA HIS 107 HA HIS 107 -2.003 19.347 3.553 842 HB2 HIS 107 2HB HIS 107 -1.256 18.000 0.917 843 HB3 HIS 107 3HB HIS 107 -0.770 17.414 2.511 844 HD1 HIS 107 HD1 HIS 107 -2.961 17.060 4.170 845 HD2 HIS 107 HD2 HIS 107 -3.599 16.833 0.074 846 HE1 HIS 107 HE1 HIS 107 -5.190 15.972 3.904 847 HE2 HIS 107 HE2 HIS 107 -5.472 15.664 1.427 848 H HIS 108 H HIS 108 -0.461 20.443 4.467 849 HA HIS 108 HA HIS 108 1.656 21.799 3.044 850 HB2 HIS 108 2HB HIS 108 1.111 21.423 6.032 851 HB3 HIS 108 3HB HIS 108 2.421 22.410 5.382 852 HD1 HIS 108 HD1 HIS 108 1.826 24.827 5.365 853 HD2 HIS 108 HD2 HIS 108 -1.537 22.451 4.789 854 HE1 HIS 108 HE1 HIS 108 -0.097 26.422 5.096 855 HE2 HIS 108 HE2 HIS 108 -2.114 24.961 4.784 856 H HIS 109 H HIS 109 3.917 21.307 3.273 857 HA HIS 109 HA HIS 109 4.477 18.572 2.854 858 HB2 HIS 109 2HB HIS 109 6.819 19.227 2.564 859 HB3 HIS 109 3HB HIS 109 5.768 20.376 1.755 860 HD1 HIS 109 HD1 HIS 109 8.786 20.481 3.362 861 HD2 HIS 109 HD2 HIS 109 5.278 22.630 3.937 862 HE1 HIS 109 HE1 HIS 109 9.471 22.621 4.493 863 HE2 HIS 109 HE2 HIS 109 7.310 23.784 5.003 864 H HIS 110 H HIS 110 5.394 17.006 4.097 865 HA HIS 110 HA HIS 110 5.391 17.409 7.010 866 HB2 HIS 110 2HB HIS 110 4.040 15.545 6.052 867 HB3 HIS 110 3HB HIS 110 5.493 14.838 5.353 868 HD1 HIS 110 HD1 HIS 110 5.950 12.787 6.687 869 HD2 HIS 110 HD2 HIS 110 4.816 15.958 9.111 870 HE1 HIS 110 HE1 HIS 110 6.142 11.934 9.035 871 HE2 HIS 110 HE2 HIS 110 5.635 13.930 10.477 872 H HIS 111 H HIS 111 7.236 17.586 8.091 873 HA HIS 111 HA HIS 111 9.853 17.325 6.871 874 HB2 HIS 111 2HB HIS 111 9.087 18.015 9.755 875 HB3 HIS 111 3HB HIS 111 10.704 18.151 9.073 876 HD1 HIS 111 HD1 HIS 111 11.288 20.440 8.252 877 HD2 HIS 111 HD2 HIS 111 7.176 19.867 8.367 878 HE1 HIS 111 HE1 HIS 111 10.278 22.670 7.716 879 HE2 HIS 111 HE2 HIS 111 7.808 22.332 8.001 880 H HIS 112 H HIS 112 11.579 16.275 8.480 881 HA HIS 112 HA HIS 112 10.612 13.730 9.611 882 HB2 HIS 112 2HB HIS 112 12.633 12.547 8.679 883 HB3 HIS 112 3HB HIS 112 11.471 13.044 7.462 884 HD1 HIS 112 HD1 HIS 112 12.193 14.942 5.844 885 HD2 HIS 112 HD2 HIS 112 15.202 13.632 8.392 886 HE1 HIS 112 HE1 HIS 112 14.323 15.873 4.907 887 HE2 HIS 112 HE2 HIS 112 16.131 14.940 6.378 Start of MODEL 8 1 H1 MET 1 1H MET 1 4.834 14.769 2.309 2 H2 MET 1 2H MET 1 3.379 15.515 1.902 3 H3 MET 1 3H MET 1 4.717 16.456 2.333 4 HA MET 1 HA MET 1 4.351 16.499 -0.032 5 HB2 MET 1 2HB MET 1 6.684 16.648 0.886 6 HB3 MET 1 3HB MET 1 6.838 14.904 0.738 7 HG2 MET 1 2HG MET 1 6.581 15.109 -1.712 8 HG3 MET 1 3HG MET 1 6.496 16.865 -1.543 9 HE1 MET 1 3HE MET 1 10.132 17.623 -0.123 10 HE2 MET 1 1HE MET 1 8.726 17.259 0.877 11 HE3 MET 1 2HE MET 1 8.565 18.327 -0.519 12 H GLY 2 H GLY 2 5.691 13.268 0.738 13 HA2 GLY 2 2HA GLY 2 3.991 11.971 -1.274 14 HA3 GLY 2 3HA GLY 2 5.296 11.227 -0.348 15 H LYS 3 H LYS 3 2.371 10.519 -0.736 16 HA LYS 3 HA LYS 3 1.648 10.092 2.101 17 HB2 LYS 3 2HB LYS 3 0.438 12.118 1.248 18 HB3 LYS 3 3HB LYS 3 -0.211 11.168 -0.081 19 HG2 LYS 3 2HG LYS 3 -1.920 11.468 1.589 20 HG3 LYS 3 3HG LYS 3 -1.448 9.772 1.552 21 HD2 LYS 3 2HD LYS 3 -0.097 10.075 3.584 22 HD3 LYS 3 3HD LYS 3 -0.466 11.803 3.597 23 HE2 LYS 3 2HE LYS 3 -2.833 11.325 3.995 24 HE3 LYS 3 3HE LYS 3 -2.530 9.590 3.869 25 HZ1 LYS 3 3HZ LYS 3 -1.360 11.369 5.935 26 HZ2 LYS 3 1HZ LYS 3 -1.168 9.692 5.829 27 HZ3 LYS 3 2HZ LYS 3 -2.690 10.349 6.162 28 H VAL 4 H VAL 4 1.134 7.889 2.386 29 HA VAL 4 HA VAL 4 0.195 6.336 0.077 30 HB VAL 4 HB VAL 4 2.675 6.271 -0.039 31 HG11 VAL 4 1HG1 VAL 4 3.258 6.405 2.328 32 HG12 VAL 4 2HG1 VAL 4 4.013 5.005 1.561 33 HG13 VAL 4 3HG1 VAL 4 2.593 4.787 2.586 34 HG21 VAL 4 3HG2 VAL 4 1.391 4.425 -0.995 35 HG22 VAL 4 1HG2 VAL 4 1.415 3.584 0.560 36 HG23 VAL 4 2HG2 VAL 4 2.917 3.837 -0.334 37 H LEU 5 H LEU 5 -0.912 4.498 0.537 38 HA LEU 5 HA LEU 5 -1.437 3.801 3.363 39 HB2 LEU 5 2HB LEU 5 -3.411 4.476 2.014 40 HB3 LEU 5 3HB LEU 5 -3.053 3.212 0.849 41 HG LEU 5 HG LEU 5 -3.462 1.492 2.657 42 HD11 LEU 5 1HD1 LEU 5 -4.398 3.859 4.296 43 HD12 LEU 5 2HD1 LEU 5 -2.996 2.838 4.625 44 HD13 LEU 5 3HD1 LEU 5 -4.617 2.156 4.716 45 HD21 LEU 5 3HD2 LEU 5 -5.909 1.673 2.637 46 HD22 LEU 5 1HD2 LEU 5 -5.221 2.032 1.056 47 HD23 LEU 5 2HD2 LEU 5 -5.791 3.348 2.087 48 H LEU 6 H LEU 6 0.167 2.339 3.805 49 HA LEU 6 HA LEU 6 0.879 0.130 2.103 50 HB2 LEU 6 2HB LEU 6 2.453 1.114 3.765 51 HB3 LEU 6 3HB LEU 6 1.399 0.601 5.071 52 HG LEU 6 HG LEU 6 1.829 -1.807 4.408 53 HD11 LEU 6 1HD1 LEU 6 2.404 -1.488 2.070 54 HD12 LEU 6 2HD1 LEU 6 3.710 -2.314 2.914 55 HD13 LEU 6 3HD1 LEU 6 3.863 -0.601 2.518 56 HD21 LEU 6 3HD2 LEU 6 4.093 -1.937 5.349 57 HD22 LEU 6 1HD2 LEU 6 3.092 -0.796 6.243 58 HD23 LEU 6 2HD2 LEU 6 4.305 -0.201 5.108 59 H VAL 7 H VAL 7 -1.059 -0.933 1.636 60 HA VAL 7 HA VAL 7 -2.758 -2.067 3.691 61 HB VAL 7 HB VAL 7 -2.662 -2.628 0.685 62 HG11 VAL 7 1HG1 VAL 7 -3.662 -4.537 1.876 63 HG12 VAL 7 2HG1 VAL 7 -4.906 -3.658 0.986 64 HG13 VAL 7 3HG1 VAL 7 -4.762 -3.453 2.733 65 HG21 VAL 7 3HG2 VAL 7 -4.672 -1.203 0.548 66 HG22 VAL 7 1HG2 VAL 7 -3.294 -0.301 1.186 67 HG23 VAL 7 2HG2 VAL 7 -4.562 -0.868 2.278 68 H ILE 8 H ILE 8 -2.422 -3.958 4.674 69 HA ILE 8 HA ILE 8 -0.448 -5.885 3.630 70 HB ILE 8 HB ILE 8 -0.802 -5.101 6.565 71 HG12 ILE 8 2HG1 ILE 8 1.414 -4.484 4.558 72 HG13 ILE 8 3HG1 ILE 8 0.403 -3.334 5.422 73 HG21 ILE 8 1HG2 ILE 8 1.133 -7.104 5.324 74 HG22 ILE 8 2HG2 ILE 8 -0.272 -7.504 6.313 75 HG23 ILE 8 3HG2 ILE 8 1.083 -6.636 7.028 76 HD11 ILE 8 3HD1 ILE 8 2.645 -3.384 6.297 77 HD12 ILE 8 1HD1 ILE 8 2.508 -5.107 6.642 78 HD13 ILE 8 2HD1 ILE 8 1.494 -3.944 7.505 79 H SER 9 H SER 9 -1.279 -7.781 3.326 80 HA SER 9 HA SER 9 -3.191 -9.033 5.112 81 HB2 SER 9 2HB SER 9 -4.755 -7.932 3.606 82 HB3 SER 9 3HB SER 9 -3.829 -8.409 2.191 83 HG SER 9 HG SER 9 -5.770 -9.664 2.674 84 H THR 10 H THR 10 -2.990 -11.262 5.029 85 HA THR 10 HA THR 10 -0.703 -12.347 3.566 86 HB THR 10 HB THR 10 -2.534 -13.882 5.458 87 HG1 THR 10 HG1 THR 10 -1.294 -13.115 7.157 88 HG21 THR 10 3HG2 THR 10 -0.836 -15.239 4.244 89 HG22 THR 10 1HG2 THR 10 -0.488 -15.173 5.973 90 HG23 THR 10 2HG2 THR 10 0.440 -14.180 4.848 91 H ASP 11 H ASP 11 -4.040 -12.015 3.128 92 HA ASP 11 HA ASP 11 -4.432 -14.404 1.464 93 HB2 ASP 11 2HB ASP 11 -6.323 -12.225 2.451 94 HB3 ASP 11 3HB ASP 11 -6.821 -13.505 1.349 95 H THR 12 H THR 12 -3.243 -14.014 -0.338 96 HA THR 12 HA THR 12 -2.920 -11.628 -1.769 97 HB THR 12 HB THR 12 -2.141 -13.188 -3.642 98 HG1 THR 12 HG1 THR 12 -2.988 -15.124 -3.532 99 HG21 THR 12 3HG2 THR 12 -0.206 -14.104 -2.380 100 HG22 THR 12 1HG2 THR 12 -1.028 -13.738 -0.862 101 HG23 THR 12 2HG2 THR 12 -0.536 -12.428 -1.939 102 H ASN 13 H ASN 13 -5.369 -14.173 -2.059 103 HA ASN 13 HA ASN 13 -6.534 -13.409 -4.517 104 HB2 ASN 13 2HB ASN 13 -7.731 -14.915 -2.148 105 HB3 ASN 13 3HB ASN 13 -8.586 -14.689 -3.672 106 HD21 ASN 13 1HD2 ASN 13 -7.877 -15.854 -5.529 107 HD22 ASN 13 2HD2 ASN 13 -6.801 -17.198 -5.392 108 H ILE 14 H ILE 14 -7.262 -12.448 -1.170 109 HA ILE 14 HA ILE 14 -9.534 -10.826 -1.716 110 HB ILE 14 HB ILE 14 -7.584 -10.740 0.632 111 HG12 ILE 14 2HG1 ILE 14 -8.690 -12.924 0.467 112 HG13 ILE 14 3HG1 ILE 14 -9.342 -12.051 1.846 113 HG21 ILE 14 1HG2 ILE 14 -8.794 -8.607 0.504 114 HG22 ILE 14 2HG2 ILE 14 -9.357 -9.541 1.891 115 HG23 ILE 14 3HG2 ILE 14 -10.337 -9.460 0.426 116 HD11 ILE 14 3HD1 ILE 14 -11.346 -11.518 0.583 117 HD12 ILE 14 1HD1 ILE 14 -11.056 -13.253 0.624 118 HD13 ILE 14 2HD1 ILE 14 -10.693 -12.341 -0.839 119 H ILE 15 H ILE 15 -6.090 -10.131 -1.326 120 HA ILE 15 HA ILE 15 -6.019 -7.358 -1.523 121 HB ILE 15 HB ILE 15 -4.036 -9.483 -2.439 122 HG12 ILE 15 2HG1 ILE 15 -4.018 -7.700 0.038 123 HG13 ILE 15 3HG1 ILE 15 -4.587 -9.366 0.013 124 HG21 ILE 15 1HG2 ILE 15 -3.540 -7.441 -3.689 125 HG22 ILE 15 2HG2 ILE 15 -2.299 -7.722 -2.470 126 HG23 ILE 15 3HG2 ILE 15 -3.540 -6.505 -2.196 127 HD11 ILE 15 3HD1 ILE 15 -2.369 -9.227 0.919 128 HD12 ILE 15 1HD1 ILE 15 -1.776 -8.440 -0.541 129 HD13 ILE 15 2HD1 ILE 15 -2.340 -10.113 -0.604 130 H SER 16 H SER 16 -5.851 -9.800 -4.120 131 HA SER 16 HA SER 16 -5.620 -8.075 -6.326 132 HB2 SER 16 2HB SER 16 -6.769 -10.898 -6.160 133 HB3 SER 16 3HB SER 16 -6.294 -10.071 -7.649 134 HG SER 16 HG SER 16 -4.200 -9.816 -6.330 135 H SER 17 H SER 17 -8.474 -9.617 -4.817 136 HA SER 17 HA SER 17 -10.462 -8.812 -6.598 137 HB2 SER 17 2HB SER 17 -10.692 -9.291 -3.590 138 HB3 SER 17 3HB SER 17 -12.061 -9.193 -4.705 139 HG SER 17 HG SER 17 -9.935 -11.019 -5.047 140 H VAL 18 H VAL 18 -9.402 -7.219 -3.607 141 HA VAL 18 HA VAL 18 -11.095 -4.963 -3.695 142 HB VAL 18 HB VAL 18 -8.396 -5.385 -2.325 143 HG11 VAL 18 1HG1 VAL 18 -8.951 -3.448 -0.886 144 HG12 VAL 18 2HG1 VAL 18 -10.393 -3.138 -1.854 145 HG13 VAL 18 3HG1 VAL 18 -8.790 -2.966 -2.572 146 HG21 VAL 18 3HG2 VAL 18 -11.224 -5.548 -1.216 147 HG22 VAL 18 1HG2 VAL 18 -9.737 -5.777 -0.289 148 HG23 VAL 18 2HG2 VAL 18 -10.170 -6.921 -1.561 149 H GLN 19 H GLN 19 -7.794 -5.513 -4.887 150 HA GLN 19 HA GLN 19 -7.199 -2.788 -5.439 151 HB2 GLN 19 2HB GLN 19 -5.486 -4.524 -4.978 152 HB3 GLN 19 3HB GLN 19 -5.876 -5.311 -6.506 153 HG2 GLN 19 2HG GLN 19 -5.135 -3.293 -7.723 154 HG3 GLN 19 3HG GLN 19 -4.750 -2.516 -6.188 155 HE21 GLN 19 1HE2 GLN 19 -3.598 -4.903 -4.954 156 HE22 GLN 19 2HE2 GLN 19 -2.090 -5.161 -5.752 157 H GLU 20 H GLU 20 -8.544 -5.429 -7.389 158 HA GLU 20 HA GLU 20 -8.577 -4.165 -9.921 159 HB2 GLU 20 2HB GLU 20 -10.454 -6.239 -8.703 160 HB3 GLU 20 3HB GLU 20 -10.516 -5.750 -10.397 161 HG2 GLU 20 2HG GLU 20 -8.296 -6.638 -10.799 162 HG3 GLU 20 3HG GLU 20 -8.068 -6.966 -9.084 163 H ARG 21 H ARG 21 -10.911 -4.257 -7.246 164 HA ARG 21 HA ARG 21 -12.950 -2.669 -8.431 165 HB2 ARG 21 2HB ARG 21 -12.347 -3.162 -5.478 166 HB3 ARG 21 3HB ARG 21 -13.848 -2.482 -6.105 167 HG2 ARG 21 2HG ARG 21 -12.806 -5.275 -6.672 168 HG3 ARG 21 3HG ARG 21 -14.068 -4.874 -5.508 169 HD2 ARG 21 2HD ARG 21 -15.476 -4.021 -7.377 170 HD3 ARG 21 3HD ARG 21 -14.202 -4.466 -8.514 171 HE ARG 21 HE ARG 21 -15.364 -6.555 -6.809 172 HH11 ARG 21 1HH1 ARG 21 -15.117 -5.163 -10.032 173 HH12 ARG 21 2HH1 ARG 21 -15.783 -6.559 -10.814 174 HH21 ARG 21 1HH2 ARG 21 -16.266 -8.362 -7.854 175 HH22 ARG 21 2HH2 ARG 21 -16.431 -8.366 -9.581 176 H ALA 22 H ALA 22 -10.051 -1.900 -6.622 177 HA ALA 22 HA ALA 22 -10.762 0.798 -5.932 178 HB1 ALA 22 3HB ALA 22 -9.267 -0.561 -4.518 179 HB2 ALA 22 1HB ALA 22 -8.468 0.924 -5.047 180 HB3 ALA 22 2HB ALA 22 -8.073 -0.615 -5.817 181 H LYS 23 H LYS 23 -8.594 -0.711 -8.350 182 HA LYS 23 HA LYS 23 -7.723 1.745 -9.537 183 HB2 LYS 23 2HB LYS 23 -7.607 -1.125 -10.555 184 HB3 LYS 23 3HB LYS 23 -6.895 0.239 -11.416 185 HG2 LYS 23 2HG LYS 23 -5.422 0.686 -9.472 186 HG3 LYS 23 3HG LYS 23 -6.107 -0.719 -8.641 187 HD2 LYS 23 2HD LYS 23 -5.245 -2.208 -10.417 188 HD3 LYS 23 3HD LYS 23 -4.623 -0.817 -11.308 189 HE2 LYS 23 2HE LYS 23 -3.066 -0.333 -9.449 190 HE3 LYS 23 3HE LYS 23 -3.692 -1.723 -8.565 191 HZ1 LYS 23 3HZ LYS 23 -2.895 -3.155 -10.355 192 HZ2 LYS 23 1HZ LYS 23 -1.635 -2.265 -9.668 193 HZ3 LYS 23 2HZ LYS 23 -2.268 -1.816 -11.168 194 H HIS 24 H HIS 24 -10.409 -0.455 -10.136 195 HA HIS 24 HA HIS 24 -11.137 0.613 -12.711 196 HB2 HIS 24 2HB HIS 24 -11.677 -1.729 -11.905 197 HB3 HIS 24 3HB HIS 24 -12.856 -1.035 -10.807 198 HD1 HIS 24 HD1 HIS 24 -12.538 -2.434 -14.110 199 HD2 HIS 24 HD2 HIS 24 -15.038 0.362 -12.318 200 HE1 HIS 24 HE1 HIS 24 -14.564 -2.289 -15.585 201 HE2 HIS 24 HE2 HIS 24 -15.973 -0.475 -14.567 202 H ASN 25 H ASN 25 -12.273 1.040 -9.368 203 HA ASN 25 HA ASN 25 -14.375 2.899 -9.860 204 HB2 ASN 25 2HB ASN 25 -13.858 1.556 -7.701 205 HB3 ASN 25 3HB ASN 25 -12.661 2.781 -7.334 206 HD21 ASN 25 1HD2 ASN 25 -14.437 5.043 -8.270 207 HD22 ASN 25 2HD2 ASN 25 -15.636 5.180 -7.052 208 H TYR 26 H TYR 26 -10.898 3.210 -9.294 209 HA TYR 26 HA TYR 26 -10.999 6.135 -9.795 210 HB2 TYR 26 2HB TYR 26 -9.031 4.733 -7.936 211 HB3 TYR 26 3HB TYR 26 -9.259 6.463 -8.145 212 HD1 TYR 26 HD1 TYR 26 -11.744 7.335 -7.611 213 HD2 TYR 26 HD2 TYR 26 -10.053 3.730 -6.044 214 HE1 TYR 26 HE1 TYR 26 -13.412 7.328 -5.812 215 HE2 TYR 26 HE2 TYR 26 -11.725 3.730 -4.240 216 HH TYR 26 HH TYR 26 -14.479 5.765 -4.327 217 HA PRO 27 HA PRO 27 -8.314 4.056 -13.018 218 HB2 PRO 27 2HB PRO 27 -9.186 5.496 -15.186 219 HB3 PRO 27 3HB PRO 27 -10.092 4.114 -14.534 220 HG2 PRO 27 2HG PRO 27 -10.560 7.050 -14.069 221 HG3 PRO 27 3HG PRO 27 -11.738 5.767 -14.436 222 HD2 PRO 27 2HD PRO 27 -11.315 6.664 -11.894 223 HD3 PRO 27 3HD PRO 27 -11.790 4.991 -12.244 224 H GLY 28 H GLY 28 -8.614 7.298 -11.893 225 HA2 GLY 28 2HA GLY 28 -6.090 8.169 -13.179 226 HA3 GLY 28 3HA GLY 28 -7.276 9.208 -12.401 227 H ARG 29 H ARG 29 -6.817 6.491 -10.480 228 HA ARG 29 HA ARG 29 -4.783 7.869 -8.819 229 HB2 ARG 29 2HB ARG 29 -6.934 5.881 -7.970 230 HB3 ARG 29 3HB ARG 29 -5.708 6.548 -6.898 231 HG2 ARG 29 2HG ARG 29 -7.792 8.225 -8.344 232 HG3 ARG 29 3HG ARG 29 -7.989 7.600 -6.710 233 HD2 ARG 29 2HD ARG 29 -7.309 9.895 -6.557 234 HD3 ARG 29 3HD ARG 29 -5.948 8.896 -6.037 235 HE ARG 29 HE ARG 29 -5.859 9.596 -8.823 236 HH11 ARG 29 1HH1 ARG 29 -5.048 10.785 -5.619 237 HH12 ARG 29 2HH1 ARG 29 -3.810 11.841 -6.213 238 HH21 ARG 29 1HH2 ARG 29 -4.206 10.906 -9.576 239 HH22 ARG 29 2HH2 ARG 29 -3.326 11.911 -8.466 240 H GLU 30 H GLU 30 -2.876 7.013 -9.010 241 HA GLU 30 HA GLU 30 -2.332 4.438 -10.148 242 HB2 GLU 30 2HB GLU 30 -0.401 6.329 -8.718 243 HB3 GLU 30 3HB GLU 30 0.045 4.968 -9.735 244 HG2 GLU 30 2HG GLU 30 0.406 6.973 -11.000 245 HG3 GLU 30 3HG GLU 30 -0.984 6.141 -11.690 246 H ILE 31 H ILE 31 -2.145 2.548 -9.078 247 HA ILE 31 HA ILE 31 -1.791 2.520 -6.131 248 HB ILE 31 HB ILE 31 -3.744 0.852 -7.785 249 HG12 ILE 31 2HG1 ILE 31 -4.216 2.832 -5.503 250 HG13 ILE 31 3HG1 ILE 31 -4.530 3.143 -7.207 251 HG21 ILE 31 1HG2 ILE 31 -4.369 -0.294 -5.681 252 HG22 ILE 31 2HG2 ILE 31 -3.068 0.551 -4.837 253 HG23 ILE 31 3HG2 ILE 31 -2.688 -0.605 -6.116 254 HD11 ILE 31 3HD1 ILE 31 -6.574 2.690 -6.037 255 HD12 ILE 31 1HD1 ILE 31 -5.958 1.141 -5.464 256 HD13 ILE 31 2HD1 ILE 31 -6.251 1.395 -7.189 257 H ARG 32 H ARG 32 -0.280 1.107 -5.417 258 HA ARG 32 HA ARG 32 1.261 -0.414 -7.435 259 HB2 ARG 32 2HB ARG 32 2.086 0.950 -4.843 260 HB3 ARG 32 3HB ARG 32 3.157 -0.130 -5.738 261 HG2 ARG 32 2HG ARG 32 1.939 2.432 -6.837 262 HG3 ARG 32 3HG ARG 32 3.591 2.264 -6.233 263 HD2 ARG 32 2HD ARG 32 4.141 0.703 -8.013 264 HD3 ARG 32 3HD ARG 32 2.461 0.650 -8.551 265 HE ARG 32 HE ARG 32 3.311 3.307 -8.708 266 HH11 ARG 32 1HH1 ARG 32 4.103 0.219 -10.232 267 HH12 ARG 32 2HH1 ARG 32 4.591 0.946 -11.725 268 HH21 ARG 32 1HH2 ARG 32 3.936 4.232 -10.691 269 HH22 ARG 32 2HH2 ARG 32 4.498 3.221 -11.980 270 H THR 33 H THR 33 2.522 -2.247 -6.511 271 HA THR 33 HA THR 33 1.213 -3.765 -4.369 272 HB THR 33 HB THR 33 1.610 -4.908 -7.178 273 HG1 THR 33 HG1 THR 33 -0.520 -3.617 -6.006 274 HG21 THR 33 3HG2 THR 33 1.837 -6.615 -5.404 275 HG22 THR 33 1HG2 THR 33 0.362 -6.862 -6.340 276 HG23 THR 33 2HG2 THR 33 0.276 -6.132 -4.736 277 H ALA 34 H ALA 34 2.880 -4.400 -3.095 278 HA ALA 34 HA ALA 34 5.601 -4.237 -4.009 279 HB1 ALA 34 3HB ALA 34 4.540 -5.194 -1.341 280 HB2 ALA 34 1HB ALA 34 4.993 -3.537 -1.744 281 HB3 ALA 34 2HB ALA 34 6.223 -4.802 -1.720 282 H THR 35 H THR 35 6.291 -5.740 -5.284 283 HA THR 35 HA THR 35 5.577 -8.507 -5.334 284 HB THR 35 HB THR 35 7.965 -7.100 -6.630 285 HG1 THR 35 HG1 THR 35 5.846 -6.130 -7.073 286 HG21 THR 35 3HG2 THR 35 8.075 -9.581 -6.756 287 HG22 THR 35 1HG2 THR 35 7.810 -8.865 -8.348 288 HG23 THR 35 2HG2 THR 35 6.467 -9.615 -7.484 289 H SER 36 H SER 36 8.168 -6.590 -3.922 290 HA SER 36 HA SER 36 9.200 -8.733 -2.278 291 HB2 SER 36 2HB SER 36 10.357 -9.183 -4.440 292 HB3 SER 36 3HB SER 36 10.949 -7.524 -4.487 293 HG SER 36 HG SER 36 11.738 -9.673 -2.856 294 H SER 37 H SER 37 11.179 -7.884 -1.053 295 HA SER 37 HA SER 37 10.712 -5.416 0.234 296 HB2 SER 37 2HB SER 37 13.066 -5.885 1.192 297 HB3 SER 37 3HB SER 37 11.851 -7.136 1.454 298 HG SER 37 HG SER 37 14.154 -7.507 0.422 299 H GLN 38 H GLN 38 12.757 -6.333 -2.496 300 HA GLN 38 HA GLN 38 14.165 -3.867 -2.737 301 HB2 GLN 38 2HB GLN 38 14.888 -6.018 -3.809 302 HB3 GLN 38 3HB GLN 38 13.527 -5.905 -4.915 303 HG2 GLN 38 2HG GLN 38 15.560 -5.168 -6.035 304 HG3 GLN 38 3HG GLN 38 14.468 -3.796 -5.841 305 HE21 GLN 38 1HE2 GLN 38 17.483 -5.233 -4.820 306 HE22 GLN 38 2HE2 GLN 38 18.115 -3.836 -4.024 307 H ASP 39 H ASP 39 11.110 -5.104 -4.045 308 HA ASP 39 HA ASP 39 10.547 -2.946 -5.805 309 HB2 ASP 39 2HB ASP 39 9.498 -5.222 -5.992 310 HB3 ASP 39 3HB ASP 39 8.555 -4.887 -4.542 311 H ILE 40 H ILE 40 9.843 -3.530 -2.388 312 HA ILE 40 HA ILE 40 8.203 -1.387 -1.716 313 HB ILE 40 HB ILE 40 10.463 -2.793 -0.250 314 HG12 ILE 40 2HG1 ILE 40 8.306 -4.019 -0.560 315 HG13 ILE 40 3HG1 ILE 40 8.704 -3.766 1.133 316 HG21 ILE 40 1HG2 ILE 40 8.834 -0.543 0.957 317 HG22 ILE 40 2HG2 ILE 40 10.574 -0.557 0.666 318 HG23 ILE 40 3HG2 ILE 40 9.874 -1.644 1.867 319 HD11 ILE 40 3HD1 ILE 40 6.345 -3.450 0.702 320 HD12 ILE 40 1HD1 ILE 40 6.702 -2.159 -0.445 321 HD13 ILE 40 2HD1 ILE 40 7.092 -1.958 1.267 322 H ARG 41 H ARG 41 11.751 -1.470 -2.082 323 HA ARG 41 HA ARG 41 12.243 1.242 -1.347 324 HB2 ARG 41 2HB ARG 41 14.086 -0.366 -3.159 325 HB3 ARG 41 3HB ARG 41 14.519 0.866 -1.975 326 HG2 ARG 41 2HG ARG 41 13.514 -1.936 -1.384 327 HG3 ARG 41 3HG ARG 41 15.176 -1.373 -1.224 328 HD2 ARG 41 2HD ARG 41 12.870 -0.216 0.380 329 HD3 ARG 41 3HD ARG 41 13.840 -1.582 0.930 330 HE ARG 41 HE ARG 41 14.791 1.189 0.542 331 HH11 ARG 41 1HH1 ARG 41 15.315 -2.034 1.881 332 HH12 ARG 41 2HH1 ARG 41 16.679 -1.545 2.832 333 HH21 ARG 41 1HH2 ARG 41 16.560 1.809 1.817 334 HH22 ARG 41 2HH2 ARG 41 17.379 0.633 2.792 335 H ASP 42 H ASP 42 11.635 -0.411 -4.394 336 HA ASP 42 HA ASP 42 12.203 1.591 -6.279 337 HB2 ASP 42 2HB ASP 42 11.782 -0.851 -6.757 338 HB3 ASP 42 3HB ASP 42 10.075 -0.599 -6.435 339 H ILE 43 H ILE 43 9.154 0.772 -4.624 340 HA ILE 43 HA ILE 43 7.463 2.622 -5.943 341 HB ILE 43 HB ILE 43 7.080 1.325 -3.202 342 HG12 ILE 43 2HG1 ILE 43 5.925 0.394 -5.877 343 HG13 ILE 43 3HG1 ILE 43 7.386 -0.285 -5.172 344 HG21 ILE 43 1HG2 ILE 43 5.081 2.692 -5.041 345 HG22 ILE 43 2HG2 ILE 43 5.585 3.231 -3.437 346 HG23 ILE 43 3HG2 ILE 43 4.642 1.753 -3.616 347 HD11 ILE 43 3HD1 ILE 43 6.083 -1.038 -3.227 348 HD12 ILE 43 1HD1 ILE 43 5.494 -1.713 -4.747 349 HD13 ILE 43 2HD1 ILE 43 4.618 -0.392 -3.972 350 H ILE 44 H ILE 44 9.163 2.769 -2.807 351 HA ILE 44 HA ILE 44 8.085 5.292 -2.006 352 HB ILE 44 HB ILE 44 10.577 3.853 -0.981 353 HG12 ILE 44 2HG1 ILE 44 7.735 3.858 0.157 354 HG13 ILE 44 3HG1 ILE 44 8.409 2.552 -0.813 355 HG21 ILE 44 1HG2 ILE 44 10.296 5.244 1.074 356 HG22 ILE 44 2HG2 ILE 44 8.982 6.123 0.289 357 HG23 ILE 44 3HG2 ILE 44 10.625 6.235 -0.347 358 HD11 ILE 44 3HD1 ILE 44 8.461 1.999 1.519 359 HD12 ILE 44 1HD1 ILE 44 9.391 3.448 1.888 360 HD13 ILE 44 2HD1 ILE 44 10.103 2.163 0.905 361 H LYS 45 H LYS 45 10.995 4.309 -3.782 362 HA LYS 45 HA LYS 45 12.232 6.867 -3.931 363 HB2 LYS 45 2HB LYS 45 13.431 4.749 -4.458 364 HB3 LYS 45 3HB LYS 45 12.418 4.524 -5.876 365 HG2 LYS 45 2HG LYS 45 14.608 5.370 -6.542 366 HG3 LYS 45 3HG LYS 45 13.366 6.572 -6.891 367 HD2 LYS 45 2HD LYS 45 15.347 7.656 -5.974 368 HD3 LYS 45 3HD LYS 45 14.005 7.822 -4.842 369 HE2 LYS 45 2HE LYS 45 16.056 7.304 -3.631 370 HE3 LYS 45 3HE LYS 45 14.953 5.933 -3.505 371 HZ1 LYS 45 3HZ LYS 45 17.217 5.222 -3.962 372 HZ2 LYS 45 1HZ LYS 45 17.251 6.145 -5.377 373 HZ3 LYS 45 2HZ LYS 45 16.206 4.827 -5.255 374 H SER 46 H SER 46 9.722 5.275 -5.846 375 HA SER 46 HA SER 46 9.430 7.261 -7.866 376 HB2 SER 46 2HB SER 46 8.552 4.944 -8.083 377 HB3 SER 46 3HB SER 46 7.371 5.269 -6.816 378 HG SER 46 HG SER 46 7.524 6.885 -9.130 379 H MET 47 H MET 47 8.224 6.961 -4.572 380 HA MET 47 HA MET 47 6.404 9.204 -4.694 381 HB2 MET 47 2HB MET 47 7.636 7.867 -2.241 382 HB3 MET 47 3HB MET 47 6.275 8.985 -2.243 383 HG2 MET 47 2HG MET 47 5.074 7.278 -3.715 384 HG3 MET 47 3HG MET 47 6.366 6.158 -3.279 385 HE1 MET 47 3HE MET 47 3.428 8.084 -0.316 386 HE2 MET 47 1HE MET 47 3.370 8.316 -2.061 387 HE3 MET 47 2HE MET 47 4.699 9.002 -1.119 388 H LYS 48 H LYS 48 9.789 8.697 -3.928 389 HA LYS 48 HA LYS 48 10.285 11.311 -2.885 390 HB2 LYS 48 2HB LYS 48 12.183 9.165 -3.914 391 HB3 LYS 48 3HB LYS 48 12.729 10.685 -3.207 392 HG2 LYS 48 2HG LYS 48 11.197 8.459 -1.840 393 HG3 LYS 48 3HG LYS 48 12.843 8.994 -1.503 394 HD2 LYS 48 2HD LYS 48 10.377 10.738 -1.068 395 HD3 LYS 48 3HD LYS 48 11.082 9.716 0.177 396 HE2 LYS 48 2HE LYS 48 11.835 11.990 0.487 397 HE3 LYS 48 3HE LYS 48 13.196 10.989 0.012 398 HZ1 LYS 48 3HZ LYS 48 13.055 11.912 -2.210 399 HZ2 LYS 48 1HZ LYS 48 13.221 13.143 -1.065 400 HZ3 LYS 48 2HZ LYS 48 11.718 12.840 -1.767 401 H ASP 49 H ASP 49 10.288 9.910 -6.081 402 HA ASP 49 HA ASP 49 11.430 12.209 -7.415 403 HB2 ASP 49 2HB ASP 49 11.664 9.994 -8.449 404 HB3 ASP 49 3HB ASP 49 9.914 9.774 -8.475 405 H ASN 50 H ASN 50 8.218 10.814 -6.958 406 HA ASN 50 HA ASN 50 6.922 13.360 -7.753 407 HB2 ASN 50 2HB ASN 50 6.778 11.363 -9.428 408 HB3 ASN 50 3HB ASN 50 5.732 10.593 -8.249 409 HD21 ASN 50 1HD2 ASN 50 4.343 13.163 -7.517 410 HD22 ASN 50 2HD2 ASN 50 3.340 13.510 -8.870 411 H GLY 51 H GLY 51 6.741 14.010 -5.588 412 HA2 GLY 51 2HA GLY 51 5.752 12.421 -3.435 413 HA3 GLY 51 3HA GLY 51 5.869 14.175 -3.469 414 H LYS 52 H LYS 52 3.785 11.449 -3.902 415 HA LYS 52 HA LYS 52 1.382 13.106 -4.162 416 HB2 LYS 52 2HB LYS 52 0.652 12.114 -6.245 417 HB3 LYS 52 3HB LYS 52 2.300 12.674 -6.516 418 HG2 LYS 52 2HG LYS 52 3.134 10.367 -6.217 419 HG3 LYS 52 3HG LYS 52 1.480 9.813 -5.924 420 HD2 LYS 52 2HD LYS 52 0.944 10.787 -8.270 421 HD3 LYS 52 3HD LYS 52 2.696 10.838 -8.506 422 HE2 LYS 52 2HE LYS 52 1.788 8.776 -9.431 423 HE3 LYS 52 3HE LYS 52 2.791 8.401 -8.028 424 HZ1 LYS 52 3HZ LYS 52 -0.174 8.587 -8.042 425 HZ2 LYS 52 1HZ LYS 52 0.777 8.232 -6.688 426 HZ3 LYS 52 2HZ LYS 52 0.728 7.162 -7.997 427 HA PRO 53 HA PRO 53 -0.573 9.543 -2.017 428 HB2 PRO 53 2HB PRO 53 -2.817 9.675 -4.023 429 HB3 PRO 53 3HB PRO 53 -2.883 9.725 -2.246 430 HG2 PRO 53 2HG PRO 53 -3.265 11.952 -3.629 431 HG3 PRO 53 3HG PRO 53 -2.285 11.982 -2.144 432 HD2 PRO 53 2HD PRO 53 -1.343 11.950 -5.018 433 HD3 PRO 53 3HD PRO 53 -0.770 12.949 -3.661 434 H LEU 54 H LEU 54 -0.172 7.442 -2.150 435 HA LEU 54 HA LEU 54 -0.703 5.849 -4.564 436 HB2 LEU 54 2HB LEU 54 1.950 6.042 -3.106 437 HB3 LEU 54 3HB LEU 54 1.474 4.479 -3.745 438 HG LEU 54 HG LEU 54 1.832 6.997 -5.428 439 HD11 LEU 54 1HD1 LEU 54 3.851 5.936 -6.297 440 HD12 LEU 54 2HD1 LEU 54 3.629 4.564 -5.206 441 HD13 LEU 54 3HD1 LEU 54 3.972 6.165 -4.559 442 HD21 LEU 54 3HD2 LEU 54 0.171 5.494 -6.399 443 HD22 LEU 54 1HD2 LEU 54 1.280 4.127 -6.257 444 HD23 LEU 54 2HD2 LEU 54 1.650 5.464 -7.352 445 H VAL 55 H VAL 55 -0.977 3.533 -4.010 446 HA VAL 55 HA VAL 55 -1.428 2.950 -1.131 447 HB VAL 55 HB VAL 55 -3.278 2.009 -3.388 448 HG11 VAL 55 1HG1 VAL 55 -3.120 0.378 -1.563 449 HG12 VAL 55 2HG1 VAL 55 -4.714 1.135 -1.560 450 HG13 VAL 55 3HG1 VAL 55 -3.497 1.631 -0.378 451 HG21 VAL 55 3HG2 VAL 55 -5.027 3.463 -2.400 452 HG22 VAL 55 1HG2 VAL 55 -3.652 4.408 -2.977 453 HG23 VAL 55 2HG2 VAL 55 -3.847 4.101 -1.249 454 H VAL 56 H VAL 56 0.219 1.532 -0.718 455 HA VAL 56 HA VAL 56 1.085 -0.416 -2.750 456 HB VAL 56 HB VAL 56 2.249 0.172 0.012 457 HG11 VAL 56 1HG1 VAL 56 4.248 -1.083 -0.758 458 HG12 VAL 56 2HG1 VAL 56 3.412 -1.494 -2.259 459 HG13 VAL 56 3HG1 VAL 56 2.817 -2.117 -0.719 460 HG21 VAL 56 3HG2 VAL 56 2.446 2.104 -1.499 461 HG22 VAL 56 1HG2 VAL 56 3.195 1.085 -2.729 462 HG23 VAL 56 2HG2 VAL 56 4.026 1.382 -1.199 463 H PHE 57 H PHE 57 -0.320 -2.126 -2.823 464 HA PHE 57 HA PHE 57 -1.155 -3.592 -0.446 465 HB2 PHE 57 2HB PHE 57 -1.410 -4.126 -3.441 466 HB3 PHE 57 3HB PHE 57 -1.954 -5.273 -2.232 467 HD1 PHE 57 HD1 PHE 57 -2.541 -1.806 -3.524 468 HD2 PHE 57 HD2 PHE 57 -4.114 -5.074 -1.259 469 HE1 PHE 57 HE1 PHE 57 -4.766 -0.751 -3.510 470 HE2 PHE 57 HE2 PHE 57 -6.324 -4.005 -1.245 471 HZ PHE 57 HZ PHE 57 -6.654 -1.843 -2.374 472 H VAL 58 H VAL 58 0.546 -4.677 0.625 473 HA VAL 58 HA VAL 58 2.596 -6.093 -0.919 474 HB VAL 58 HB VAL 58 3.644 -6.721 1.184 475 HG11 VAL 58 1HG1 VAL 58 4.147 -4.471 0.375 476 HG12 VAL 58 2HG1 VAL 58 4.179 -4.501 2.135 477 HG13 VAL 58 3HG1 VAL 58 2.792 -3.809 1.287 478 HG21 VAL 58 3HG2 VAL 58 2.775 -6.090 3.406 479 HG22 VAL 58 1HG2 VAL 58 1.684 -7.204 2.581 480 HG23 VAL 58 2HG2 VAL 58 1.293 -5.486 2.657 481 H ASN 59 H ASN 59 2.410 -8.184 -1.536 482 HA ASN 59 HA ASN 59 -0.087 -9.586 -0.895 483 HB2 ASN 59 2HB ASN 59 1.937 -9.916 -3.133 484 HB3 ASN 59 3HB ASN 59 0.708 -11.140 -2.823 485 HD21 ASN 59 1HD2 ASN 59 0.274 -7.614 -2.525 486 HD22 ASN 59 2HD2 ASN 59 -0.880 -7.499 -3.796 487 H GLY 60 H GLY 60 0.281 -10.369 1.139 488 HA2 GLY 60 2HA GLY 60 0.948 -11.823 2.776 489 HA3 GLY 60 3HA GLY 60 1.220 -12.960 1.460 490 H ALA 61 H ALA 61 2.812 -9.940 2.334 491 HA ALA 61 HA ALA 61 5.425 -11.049 1.751 492 HB1 ALA 61 3HB ALA 61 4.732 -8.830 0.919 493 HB2 ALA 61 1HB ALA 61 6.153 -8.711 1.952 494 HB3 ALA 61 2HB ALA 61 4.566 -8.254 2.580 495 H SER 62 H SER 62 7.233 -10.129 3.320 496 HA SER 62 HA SER 62 6.733 -11.370 5.936 497 HB2 SER 62 2HB SER 62 9.182 -11.414 6.169 498 HB3 SER 62 3HB SER 62 8.746 -12.060 4.589 499 HG SER 62 HG SER 62 9.165 -9.834 3.822 500 H GLN 63 H GLN 63 7.994 -10.261 7.815 501 HA GLN 63 HA GLN 63 7.070 -7.575 8.212 502 HB2 GLN 63 2HB GLN 63 7.185 -9.145 10.106 503 HB3 GLN 63 3HB GLN 63 8.921 -9.329 9.895 504 HG2 GLN 63 2HG GLN 63 8.479 -7.898 11.809 505 HG3 GLN 63 3HG GLN 63 9.250 -6.954 10.545 506 HE21 GLN 63 1HE2 GLN 63 8.060 -5.295 9.531 507 HE22 GLN 63 2HE2 GLN 63 6.569 -4.713 10.175 508 H ASN 64 H ASN 64 10.013 -9.004 6.998 509 HA ASN 64 HA ASN 64 11.935 -7.052 7.610 510 HB2 ASN 64 2HB ASN 64 11.820 -8.852 5.142 511 HB3 ASN 64 3HB ASN 64 13.244 -7.963 5.686 512 HD21 ASN 64 1HD2 ASN 64 11.192 -10.709 6.250 513 HD22 ASN 64 2HD2 ASN 64 12.202 -11.482 7.418 514 H ASP 65 H ASP 65 9.957 -7.393 4.635 515 HA ASP 65 HA ASP 65 10.934 -5.030 3.381 516 HB2 ASP 65 2HB ASP 65 9.035 -5.353 1.783 517 HB3 ASP 65 3HB ASP 65 10.034 -6.773 2.002 518 H VAL 66 H VAL 66 8.133 -5.678 5.430 519 HA VAL 66 HA VAL 66 6.840 -3.172 5.209 520 HB VAL 66 HB VAL 66 6.814 -5.240 7.463 521 HG11 VAL 66 1HG1 VAL 66 4.917 -2.899 7.032 522 HG12 VAL 66 2HG1 VAL 66 6.071 -3.062 8.358 523 HG13 VAL 66 3HG1 VAL 66 4.708 -4.177 8.232 524 HG21 VAL 66 3HG2 VAL 66 4.870 -4.727 5.175 525 HG22 VAL 66 1HG2 VAL 66 4.660 -5.942 6.439 526 HG23 VAL 66 2HG2 VAL 66 5.995 -6.084 5.292 527 H ASN 67 H ASN 67 9.431 -4.342 7.342 528 HA ASN 67 HA ASN 67 9.674 -2.077 9.031 529 HB2 ASN 67 2HB ASN 67 11.765 -4.146 8.207 530 HB3 ASN 67 3HB ASN 67 12.079 -2.880 9.392 531 HD21 ASN 67 1HD2 ASN 67 12.060 -5.810 9.643 532 HD22 ASN 67 2HD2 ASN 67 10.982 -6.146 10.949 533 H GLU 68 H GLU 68 11.347 -3.029 6.026 534 HA GLU 68 HA GLU 68 12.994 -0.759 5.756 535 HB2 GLU 68 2HB GLU 68 11.932 -2.605 3.574 536 HB3 GLU 68 3HB GLU 68 13.283 -1.489 3.393 537 HG2 GLU 68 2HG GLU 68 13.180 -3.915 5.216 538 HG3 GLU 68 3HG GLU 68 14.057 -3.795 3.697 539 H PHE 69 H PHE 69 9.656 -1.376 4.762 540 HA PHE 69 HA PHE 69 9.265 0.836 3.065 541 HB2 PHE 69 2HB PHE 69 7.664 -1.121 3.305 542 HB3 PHE 69 3HB PHE 69 7.163 -0.469 4.860 543 HD1 PHE 69 HD1 PHE 69 5.843 1.677 4.961 544 HD2 PHE 69 HD2 PHE 69 6.921 -0.127 1.232 545 HE1 PHE 69 HE1 PHE 69 4.198 3.078 3.794 546 HE2 PHE 69 HE2 PHE 69 5.278 1.275 0.084 547 HZ PHE 69 HZ PHE 69 3.917 2.876 1.357 548 H GLN 70 H GLN 70 8.648 0.370 6.515 549 HA GLN 70 HA GLN 70 7.676 2.998 7.020 550 HB2 GLN 70 2HB GLN 70 8.686 0.881 8.967 551 HB3 GLN 70 3HB GLN 70 7.735 2.306 9.398 552 HG2 GLN 70 2HG GLN 70 5.826 1.480 8.144 553 HG3 GLN 70 3HG GLN 70 6.760 0.116 7.535 554 HE21 GLN 70 1HE2 GLN 70 7.368 -1.551 9.040 555 HE22 GLN 70 2HE2 GLN 70 6.471 -1.794 10.495 556 H ASN 71 H ASN 71 10.889 1.534 7.065 557 HA ASN 71 HA ASN 71 12.277 3.579 8.471 558 HB2 ASN 71 2HB ASN 71 13.200 1.459 6.497 559 HB3 ASN 71 3HB ASN 71 14.315 2.714 7.028 560 HD21 ASN 71 1HD2 ASN 71 13.068 -0.327 7.738 561 HD22 ASN 71 2HD2 ASN 71 13.705 -0.479 9.331 562 H GLU 72 H GLU 72 12.012 2.909 4.964 563 HA GLU 72 HA GLU 72 13.314 5.221 4.041 564 HB2 GLU 72 2HB GLU 72 11.189 3.571 2.615 565 HB3 GLU 72 3HB GLU 72 12.290 4.705 1.837 566 HG2 GLU 72 2HG GLU 72 13.088 2.158 3.265 567 HG3 GLU 72 3HG GLU 72 12.935 2.342 1.521 568 H ALA 73 H ALA 73 9.991 4.673 4.988 569 HA ALA 73 HA ALA 73 8.925 7.078 3.858 570 HB1 ALA 73 3HB ALA 73 7.534 5.087 4.241 571 HB2 ALA 73 1HB ALA 73 6.892 6.493 5.097 572 HB3 ALA 73 2HB ALA 73 7.772 5.244 5.982 573 H LYS 74 H LYS 74 9.950 6.119 7.197 574 HA LYS 74 HA LYS 74 9.060 8.604 8.333 575 HB2 LYS 74 2HB LYS 74 9.851 7.806 10.462 576 HB3 LYS 74 3HB LYS 74 9.053 6.491 9.631 577 HG2 LYS 74 2HG LYS 74 10.846 5.354 10.512 578 HG3 LYS 74 3HG LYS 74 11.530 5.807 8.956 579 HD2 LYS 74 2HD LYS 74 13.150 6.157 10.788 580 HD3 LYS 74 3HD LYS 74 12.740 7.689 10.014 581 HE2 LYS 74 2HE LYS 74 11.244 8.262 11.876 582 HE3 LYS 74 3HE LYS 74 11.523 6.684 12.615 583 HZ1 LYS 74 3HZ LYS 74 13.580 8.782 12.203 584 HZ2 LYS 74 1HZ LYS 74 13.844 7.272 12.903 585 HZ3 LYS 74 2HZ LYS 74 12.844 8.394 13.671 586 H LYS 75 H LYS 75 12.189 7.421 7.193 587 HA LYS 75 HA LYS 75 13.754 9.505 8.409 588 HB2 LYS 75 2HB LYS 75 15.628 8.618 7.114 589 HB3 LYS 75 3HB LYS 75 14.722 7.300 7.846 590 HG2 LYS 75 2HG LYS 75 13.629 6.847 5.670 591 HG3 LYS 75 3HG LYS 75 14.552 8.158 4.934 592 HD2 LYS 75 2HD LYS 75 15.707 5.613 6.152 593 HD3 LYS 75 3HD LYS 75 15.555 5.962 4.429 594 HE2 LYS 75 2HE LYS 75 17.107 7.903 4.731 595 HE3 LYS 75 3HE LYS 75 17.310 7.442 6.423 596 HZ1 LYS 75 3HZ LYS 75 18.079 5.848 4.041 597 HZ2 LYS 75 1HZ LYS 75 18.166 5.284 5.635 598 HZ3 LYS 75 2HZ LYS 75 19.119 6.588 5.144 599 H GLU 76 H GLU 76 11.991 9.185 5.435 600 HA GLU 76 HA GLU 76 13.114 11.666 4.297 601 HB2 GLU 76 2HB GLU 76 11.189 9.652 3.069 602 HB3 GLU 76 3HB GLU 76 11.954 11.004 2.242 603 HG2 GLU 76 2HG GLU 76 13.313 8.521 3.329 604 HG3 GLU 76 3HG GLU 76 13.055 8.927 1.636 605 H GLY 77 H GLY 77 10.542 10.628 6.226 606 HA2 GLY 77 2HA GLY 77 8.851 11.828 7.202 607 HA3 GLY 77 3HA GLY 77 9.246 13.201 6.183 608 H VAL 78 H VAL 78 8.742 10.335 4.402 609 HA VAL 78 HA VAL 78 6.442 11.204 3.019 610 HB VAL 78 HB VAL 78 7.634 8.394 3.254 611 HG11 VAL 78 1HG1 VAL 78 5.621 9.435 1.226 612 HG12 VAL 78 2HG1 VAL 78 5.308 8.229 2.478 613 HG13 VAL 78 3HG1 VAL 78 6.418 7.862 1.156 614 HG21 VAL 78 3HG2 VAL 78 8.690 8.889 1.057 615 HG22 VAL 78 1HG2 VAL 78 9.220 10.024 2.304 616 HG23 VAL 78 2HG2 VAL 78 8.019 10.521 1.108 617 H SER 79 H SER 79 4.430 11.354 3.825 618 HA SER 79 HA SER 79 3.617 10.348 6.347 619 HB2 SER 79 2HB SER 79 1.845 11.469 4.130 620 HB3 SER 79 3HB SER 79 1.494 11.445 5.862 621 HG SER 79 HG SER 79 2.711 13.313 4.482 622 H TYR 80 H TYR 80 3.619 8.114 6.456 623 HA TYR 80 HA TYR 80 2.087 6.551 4.463 624 HB2 TYR 80 2HB TYR 80 3.413 4.621 5.100 625 HB3 TYR 80 3HB TYR 80 4.502 5.950 4.746 626 HD1 TYR 80 HD2 TYR 80 5.382 7.325 6.845 627 HD2 TYR 80 HD1 TYR 80 3.707 3.395 7.122 628 HE1 TYR 80 HE2 TYR 80 6.513 6.992 8.992 629 HE2 TYR 80 HE1 TYR 80 4.841 3.077 9.278 630 HH TYR 80 HH TYR 80 6.335 5.659 10.977 631 H ASP 81 H ASP 81 0.611 5.022 5.121 632 HA ASP 81 HA ASP 81 -0.161 4.881 7.987 633 HB2 ASP 81 2HB ASP 81 -2.048 5.066 5.581 634 HB3 ASP 81 3HB ASP 81 -2.569 4.681 7.219 635 H VAL 82 H VAL 82 0.065 2.826 8.661 636 HA VAL 82 HA VAL 82 0.167 0.611 6.738 637 HB VAL 82 HB VAL 82 0.778 0.633 9.735 638 HG11 VAL 82 1HG1 VAL 82 1.295 -1.553 7.684 639 HG12 VAL 82 2HG1 VAL 82 0.092 -1.620 8.976 640 HG13 VAL 82 3HG1 VAL 82 1.813 -1.588 9.373 641 HG21 VAL 82 3HG2 VAL 82 3.160 0.536 9.065 642 HG22 VAL 82 1HG2 VAL 82 2.388 1.999 8.440 643 HG23 VAL 82 2HG2 VAL 82 2.689 0.631 7.365 644 H LEU 83 H LEU 83 -1.299 -1.062 6.718 645 HA LEU 83 HA LEU 83 -3.686 -0.952 8.459 646 HB2 LEU 83 2HB LEU 83 -4.247 0.265 6.406 647 HB3 LEU 83 3HB LEU 83 -3.602 -1.030 5.412 648 HG LEU 83 HG LEU 83 -5.458 -2.535 6.304 649 HD11 LEU 83 1HD1 LEU 83 -5.982 -1.339 8.359 650 HD12 LEU 83 2HD1 LEU 83 -7.414 -1.513 7.348 651 HD13 LEU 83 3HD1 LEU 83 -6.580 0.042 7.431 652 HD21 LEU 83 3HD2 LEU 83 -6.312 -0.063 4.773 653 HD22 LEU 83 1HD2 LEU 83 -7.197 -1.592 4.847 654 HD23 LEU 83 2HD2 LEU 83 -5.606 -1.533 4.093 655 H LYS 84 H LYS 84 -3.615 -2.932 9.447 656 HA LYS 84 HA LYS 84 -3.045 -5.364 7.862 657 HB2 LYS 84 2HB LYS 84 -3.133 -4.799 10.838 658 HB3 LYS 84 3HB LYS 84 -3.390 -6.441 10.269 659 HG2 LYS 84 2HG LYS 84 -1.114 -6.293 10.862 660 HG3 LYS 84 3HG LYS 84 -1.166 -6.298 9.099 661 HD2 LYS 84 2HD LYS 84 -0.766 -3.879 9.045 662 HD3 LYS 84 3HD LYS 84 -0.855 -3.799 10.809 663 HE2 LYS 84 2HE LYS 84 1.251 -5.298 9.208 664 HE3 LYS 84 3HE LYS 84 1.483 -3.758 10.036 665 HZ1 LYS 84 3HZ LYS 84 0.858 -6.363 11.318 666 HZ2 LYS 84 1HZ LYS 84 0.996 -4.885 12.134 667 HZ3 LYS 84 2HZ LYS 84 2.339 -5.551 11.358 668 H SER 85 H SER 85 -4.821 -6.086 6.805 669 HA SER 85 HA SER 85 -7.103 -7.024 8.260 670 HB2 SER 85 2HB SER 85 -7.864 -4.670 8.052 671 HB3 SER 85 3HB SER 85 -7.594 -4.714 6.314 672 HG SER 85 HG SER 85 -9.553 -6.093 7.831 673 H THR 86 H THR 86 -8.152 -8.622 7.108 674 HA THR 86 HA THR 86 -7.389 -9.115 4.282 675 HB THR 86 HB THR 86 -7.724 -11.538 4.748 676 HG1 THR 86 HG1 THR 86 -9.218 -11.398 6.459 677 HG21 THR 86 3HG2 THR 86 -5.819 -10.266 6.752 678 HG22 THR 86 1HG2 THR 86 -5.442 -10.622 5.064 679 HG23 THR 86 2HG2 THR 86 -5.761 -11.938 6.193 680 H ASP 87 H ASP 87 -9.774 -7.766 5.929 681 HA ASP 87 HA ASP 87 -12.115 -9.141 4.911 682 HB2 ASP 87 2HB ASP 87 -11.907 -6.339 6.104 683 HB3 ASP 87 3HB ASP 87 -13.394 -7.239 5.832 684 HA PRO 88 HA PRO 88 -11.587 -7.294 0.743 685 HB2 PRO 88 2HB PRO 88 -14.543 -7.946 0.721 686 HB3 PRO 88 3HB PRO 88 -13.301 -8.281 -0.504 687 HG2 PRO 88 2HG PRO 88 -14.193 -10.216 1.087 688 HG3 PRO 88 3HG PRO 88 -12.484 -10.128 0.612 689 HD2 PRO 88 2HD PRO 88 -13.736 -9.480 3.248 690 HD3 PRO 88 3HD PRO 88 -12.115 -10.114 2.890 691 H GLU 89 H GLU 89 -14.624 -6.652 2.508 692 HA GLU 89 HA GLU 89 -15.222 -4.179 1.315 693 HB2 GLU 89 2HB GLU 89 -16.827 -3.843 3.154 694 HB3 GLU 89 3HB GLU 89 -16.922 -5.473 2.495 695 HG2 GLU 89 2HG GLU 89 -15.764 -6.398 4.405 696 HG3 GLU 89 3HG GLU 89 -15.401 -4.790 5.035 697 H GLU 90 H GLU 90 -13.271 -4.908 4.209 698 HA GLU 90 HA GLU 90 -13.134 -2.258 5.242 699 HB2 GLU 90 2HB GLU 90 -12.610 -4.216 6.639 700 HB3 GLU 90 3HB GLU 90 -11.251 -4.621 5.603 701 HG2 GLU 90 2HG GLU 90 -10.302 -3.629 7.536 702 HG3 GLU 90 3HG GLU 90 -10.191 -2.407 6.277 703 H LEU 91 H LEU 91 -10.910 -4.204 3.233 704 HA LEU 91 HA LEU 91 -8.848 -2.303 2.989 705 HB2 LEU 91 2HB LEU 91 -9.629 -4.561 1.107 706 HB3 LEU 91 3HB LEU 91 -8.104 -3.694 1.043 707 HG LEU 91 HG LEU 91 -9.051 -5.513 3.297 708 HD11 LEU 91 1HD1 LEU 91 -7.190 -6.955 2.633 709 HD12 LEU 91 2HD1 LEU 91 -6.774 -5.850 1.320 710 HD13 LEU 91 3HD1 LEU 91 -8.310 -6.722 1.291 711 HD21 LEU 91 3HD2 LEU 91 -7.800 -3.681 4.267 712 HD22 LEU 91 1HD2 LEU 91 -6.497 -3.894 3.097 713 HD23 LEU 91 2HD2 LEU 91 -6.823 -5.144 4.300 714 H THR 92 H THR 92 -11.652 -3.009 0.924 715 HA THR 92 HA THR 92 -11.299 -1.222 -1.192 716 HB THR 92 HB THR 92 -13.915 -2.090 0.132 717 HG1 THR 92 HG1 THR 92 -12.167 -3.623 -0.913 718 HG21 THR 92 3HG2 THR 92 -14.951 -1.703 -2.104 719 HG22 THR 92 1HG2 THR 92 -13.425 -1.044 -2.696 720 HG23 THR 92 2HG2 THR 92 -14.312 -0.208 -1.417 721 H GLN 93 H GLN 93 -12.876 -0.841 1.916 722 HA GLN 93 HA GLN 93 -13.963 1.732 1.671 723 HB2 GLN 93 2HB GLN 93 -14.661 -0.036 3.299 724 HB3 GLN 93 3HB GLN 93 -13.126 0.135 4.138 725 HG2 GLN 93 2HG GLN 93 -14.816 1.271 5.360 726 HG3 GLN 93 3HG GLN 93 -13.719 2.469 4.683 727 HE21 GLN 93 1HE2 GLN 93 -16.321 0.801 2.943 728 HE22 GLN 93 2HE2 GLN 93 -17.283 2.206 2.696 729 H ARG 94 H ARG 94 -10.875 0.527 3.004 730 HA ARG 94 HA ARG 94 -10.084 3.055 4.084 731 HB2 ARG 94 2HB ARG 94 -8.506 0.495 3.637 732 HB3 ARG 94 3HB ARG 94 -7.876 1.906 4.490 733 HG2 ARG 94 2HG ARG 94 -10.288 0.261 5.344 734 HG3 ARG 94 3HG ARG 94 -8.671 0.161 6.043 735 HD2 ARG 94 2HD ARG 94 -8.856 2.512 6.796 736 HD3 ARG 94 3HD ARG 94 -10.482 2.611 6.110 737 HE ARG 94 HE ARG 94 -10.873 0.610 7.727 738 HH11 ARG 94 1HH1 ARG 94 -8.978 3.468 8.457 739 HH12 ARG 94 2HH1 ARG 94 -9.299 3.384 10.158 740 HH21 ARG 94 1HH2 ARG 94 -11.313 0.521 9.917 741 HH22 ARG 94 2HH2 ARG 94 -10.635 1.705 10.985 742 H VAL 95 H VAL 95 -9.642 1.532 0.932 743 HA VAL 95 HA VAL 95 -7.503 3.144 -0.012 744 HB VAL 95 HB VAL 95 -9.783 1.837 -1.579 745 HG11 VAL 95 1HG1 VAL 95 -7.230 3.098 -2.670 746 HG12 VAL 95 2HG1 VAL 95 -8.871 3.703 -2.909 747 HG13 VAL 95 3HG1 VAL 95 -8.391 2.162 -3.619 748 HG21 VAL 95 3HG2 VAL 95 -8.297 0.218 -0.445 749 HG22 VAL 95 1HG2 VAL 95 -6.888 0.956 -1.207 750 HG23 VAL 95 2HG2 VAL 95 -8.098 0.129 -2.194 751 H ARG 96 H ARG 96 -11.067 3.584 -0.219 752 HA ARG 96 HA ARG 96 -10.858 6.127 -1.530 753 HB2 ARG 96 2HB ARG 96 -13.320 6.306 -1.151 754 HB3 ARG 96 3HB ARG 96 -12.803 4.849 -1.983 755 HG2 ARG 96 2HG ARG 96 -13.109 3.524 0.034 756 HG3 ARG 96 3HG ARG 96 -13.539 4.967 0.957 757 HD2 ARG 96 2HD ARG 96 -15.498 3.572 0.248 758 HD3 ARG 96 3HD ARG 96 -15.572 5.246 -0.304 759 HE ARG 96 HE ARG 96 -14.506 4.109 -2.451 760 HH11 ARG 96 1HH1 ARG 96 -17.232 2.977 -0.528 761 HH12 ARG 96 2HH1 ARG 96 -17.999 2.191 -1.868 762 HH21 ARG 96 1HH2 ARG 96 -15.535 3.114 -4.183 763 HH22 ARG 96 2HH2 ARG 96 -17.029 2.275 -3.941 764 H GLU 97 H GLU 97 -11.305 5.154 1.856 765 HA GLU 97 HA GLU 97 -11.793 7.747 2.902 766 HB2 GLU 97 2HB GLU 97 -10.597 5.274 4.225 767 HB3 GLU 97 3HB GLU 97 -11.033 6.739 5.102 768 HG2 GLU 97 2HG GLU 97 -12.934 4.918 3.588 769 HG3 GLU 97 3HG GLU 97 -12.763 5.022 5.339 770 H PHE 98 H PHE 98 -8.849 5.916 2.199 771 HA PHE 98 HA PHE 98 -6.930 7.701 3.233 772 HB2 PHE 98 2HB PHE 98 -6.194 5.477 2.644 773 HB3 PHE 98 3HB PHE 98 -6.788 5.639 0.995 774 HD1 PHE 98 HD1 PHE 98 -4.285 7.094 3.371 775 HD2 PHE 98 HD2 PHE 98 -5.311 6.323 -0.718 776 HE1 PHE 98 HE1 PHE 98 -2.094 7.930 2.643 777 HE2 PHE 98 HE2 PHE 98 -3.121 7.161 -1.423 778 HZ PHE 98 HZ PHE 98 -1.522 7.967 0.250 779 H LEU 99 H LEU 99 -8.148 7.325 -0.131 780 HA LEU 99 HA LEU 99 -6.651 9.390 -1.306 781 HB2 LEU 99 2HB LEU 99 -9.333 8.235 -2.169 782 HB3 LEU 99 3HB LEU 99 -8.318 9.253 -3.184 783 HG LEU 99 HG LEU 99 -7.518 6.505 -2.131 784 HD11 LEU 99 1HD1 LEU 99 -7.816 5.710 -4.424 785 HD12 LEU 99 2HD1 LEU 99 -8.424 7.295 -4.910 786 HD13 LEU 99 3HD1 LEU 99 -9.329 6.314 -3.753 787 HD21 LEU 99 3HD2 LEU 99 -6.108 8.322 -4.113 788 HD22 LEU 99 1HD2 LEU 99 -5.635 6.666 -3.711 789 HD23 LEU 99 2HD2 LEU 99 -5.562 7.923 -2.480 790 H LYS 100 H LYS 100 -9.712 9.426 0.367 791 HA LYS 100 HA LYS 100 -10.622 12.025 -0.316 792 HB2 LYS 100 2HB LYS 100 -12.098 10.257 0.579 793 HB3 LYS 100 3HB LYS 100 -11.225 10.280 2.108 794 HG2 LYS 100 2HG LYS 100 -11.998 12.609 2.497 795 HG3 LYS 100 3HG LYS 100 -12.884 12.557 0.970 796 HD2 LYS 100 2HD LYS 100 -14.405 12.143 2.850 797 HD3 LYS 100 3HD LYS 100 -14.281 10.705 1.836 798 HE2 LYS 100 2HE LYS 100 -12.700 9.700 3.469 799 HE3 LYS 100 3HE LYS 100 -12.835 11.144 4.478 800 HZ1 LYS 100 3HZ LYS 100 -15.214 10.664 4.725 801 HZ2 LYS 100 1HZ LYS 100 -14.253 9.396 5.302 802 HZ3 LYS 100 2HZ LYS 100 -15.030 9.254 3.810 803 H THR 101 H THR 101 -8.930 10.769 2.613 804 HA THR 101 HA THR 101 -8.635 13.399 3.782 805 HB THR 101 HB THR 101 -8.894 11.344 5.191 806 HG1 THR 101 HG1 THR 101 -7.730 13.354 5.883 807 HG21 THR 101 3HG2 THR 101 -7.466 9.788 3.899 808 HG22 THR 101 1HG2 THR 101 -6.979 9.859 5.595 809 HG23 THR 101 2HG2 THR 101 -6.037 10.711 4.371 810 H ALA 102 H ALA 102 -6.796 11.520 1.551 811 HA ALA 102 HA ALA 102 -4.209 12.728 1.975 812 HB1 ALA 102 3HB ALA 102 -3.547 11.514 -0.061 813 HB2 ALA 102 1HB ALA 102 -5.234 11.091 -0.373 814 HB3 ALA 102 2HB ALA 102 -4.410 10.447 1.049 815 H GLY 103 H GLY 103 -7.083 13.406 0.107 816 HA2 GLY 103 2HA GLY 103 -5.832 15.307 -1.708 817 HA3 GLY 103 3HA GLY 103 -7.540 14.917 -1.586 818 H SER 104 H SER 104 -5.111 16.229 0.656 819 HA SER 104 HA SER 104 -6.216 18.844 0.868 820 HB2 SER 104 2HB SER 104 -6.922 18.682 3.292 821 HB3 SER 104 3HB SER 104 -7.957 17.731 2.220 822 HG SER 104 HG SER 104 -6.081 16.090 2.892 823 H LEU 105 H LEU 105 -5.013 20.089 2.586 824 HA LEU 105 HA LEU 105 -2.237 19.675 2.392 825 HB2 LEU 105 2HB LEU 105 -3.815 21.451 4.292 826 HB3 LEU 105 3HB LEU 105 -2.074 21.545 4.067 827 HG LEU 105 HG LEU 105 -4.140 22.103 1.892 828 HD11 LEU 105 1HD1 LEU 105 -2.459 24.064 3.480 829 HD12 LEU 105 2HD1 LEU 105 -4.202 23.823 3.632 830 HD13 LEU 105 3HD1 LEU 105 -3.534 24.456 2.131 831 HD21 LEU 105 3HD2 LEU 105 -2.039 21.255 0.956 832 HD22 LEU 105 1HD2 LEU 105 -1.123 22.468 1.856 833 HD23 LEU 105 2HD2 LEU 105 -2.243 22.962 0.582 834 H GLU 106 H GLU 106 -1.211 18.036 3.299 835 HA GLU 106 HA GLU 106 -1.732 16.546 5.606 836 HB2 GLU 106 2HB GLU 106 0.978 17.253 4.382 837 HB3 GLU 106 3HB GLU 106 0.680 15.908 5.481 838 HG2 GLU 106 2HG GLU 106 -0.463 14.650 3.853 839 HG3 GLU 106 3HG GLU 106 -0.818 16.066 2.864 840 H HIS 107 H HIS 107 0.033 19.536 5.123 841 HA HIS 107 HA HIS 107 0.418 19.960 8.029 842 HB2 HIS 107 2HB HIS 107 1.846 21.353 5.709 843 HB3 HIS 107 3HB HIS 107 2.224 21.501 7.422 844 HD1 HIS 107 HD1 HIS 107 3.214 19.259 8.567 845 HD2 HIS 107 HD2 HIS 107 3.178 19.328 4.407 846 HE1 HIS 107 HE1 HIS 107 4.782 17.435 7.841 847 HE2 HIS 107 HE2 HIS 107 4.695 17.454 5.327 848 H HIS 108 H HIS 108 -1.061 21.345 8.870 849 HA HIS 108 HA HIS 108 -2.457 23.269 7.086 850 HB2 HIS 108 2HB HIS 108 -3.949 21.570 8.070 851 HB3 HIS 108 3HB HIS 108 -3.390 21.975 9.690 852 HD1 HIS 108 HD1 HIS 108 -5.444 23.407 6.844 853 HD2 HIS 108 HD2 HIS 108 -4.727 24.091 10.882 854 HE1 HIS 108 HE1 HIS 108 -7.081 25.181 7.533 855 HE2 HIS 108 HE2 HIS 108 -6.515 25.681 9.933 856 H HIS 109 H HIS 109 -1.095 25.024 7.240 857 HA HIS 109 HA HIS 109 -1.563 26.767 9.459 858 HB2 HIS 109 2HB HIS 109 0.681 27.111 10.276 859 HB3 HIS 109 3HB HIS 109 0.402 25.378 10.317 860 HD1 HIS 109 HD1 HIS 109 2.678 27.922 9.010 861 HD2 HIS 109 HD2 HIS 109 1.799 23.945 8.165 862 HE1 HIS 109 HE1 HIS 109 4.595 27.086 7.623 863 HE2 HIS 109 HE2 HIS 109 4.107 24.651 7.245 864 H HIS 110 H HIS 110 -0.014 28.833 9.081 865 HA HIS 110 HA HIS 110 0.493 29.326 6.218 866 HB2 HIS 110 2HB HIS 110 -1.208 31.098 8.036 867 HB3 HIS 110 3HB HIS 110 -0.504 31.675 6.527 868 HD1 HIS 110 HD1 HIS 110 -3.586 30.471 7.733 869 HD2 HIS 110 HD2 HIS 110 -1.371 29.761 4.293 870 HE1 HIS 110 HE1 HIS 110 -5.208 29.532 6.068 871 HE2 HIS 110 HE2 HIS 110 -3.803 28.950 4.062 872 H HIS 111 H HIS 111 1.515 31.671 6.108 873 HA HIS 111 HA HIS 111 3.181 32.447 8.348 874 HB2 HIS 111 2HB HIS 111 4.470 30.587 7.166 875 HB3 HIS 111 3HB HIS 111 4.537 31.605 5.734 876 HD1 HIS 111 HD1 HIS 111 6.335 33.391 5.679 877 HD2 HIS 111 HD2 HIS 111 6.048 31.540 9.383 878 HE1 HIS 111 HE1 HIS 111 8.357 34.132 6.961 879 HE2 HIS 111 HE2 HIS 111 8.196 32.946 9.173 880 H HIS 112 H HIS 112 1.053 33.658 7.182 881 HA HIS 112 HA HIS 112 2.125 36.175 6.227 882 HB2 HIS 112 2HB HIS 112 1.825 34.976 4.084 883 HB3 HIS 112 3HB HIS 112 0.166 34.569 4.509 884 HD1 HIS 112 HD1 HIS 112 2.286 37.660 3.834 885 HD2 HIS 112 HD2 HIS 112 -1.663 36.406 3.610 886 HE1 HIS 112 HE1 HIS 112 1.035 39.545 2.752 887 HE2 HIS 112 HE2 HIS 112 -1.368 38.814 2.755 Start of MODEL 9 1 H1 MET 1 1H MET 1 8.674 15.436 1.933 2 H2 MET 1 2H MET 1 8.857 14.322 0.671 3 H3 MET 1 3H MET 1 8.444 13.788 2.223 4 HA MET 1 HA MET 1 6.355 14.903 2.122 5 HB2 MET 1 2HB MET 1 7.155 16.753 0.622 6 HB3 MET 1 3HB MET 1 7.180 15.631 -0.728 7 HG2 MET 1 2HG MET 1 4.667 16.309 0.810 8 HG3 MET 1 3HG MET 1 5.197 17.187 -0.625 9 HE1 MET 1 3HE MET 1 2.113 14.943 -1.818 10 HE2 MET 1 1HE MET 1 2.670 16.598 -1.581 11 HE3 MET 1 2HE MET 1 2.306 15.579 -0.186 12 H GLY 2 H GLY 2 4.571 13.733 1.425 13 HA2 GLY 2 2HA GLY 2 3.835 12.120 -0.430 14 HA3 GLY 2 3HA GLY 2 5.159 11.129 0.172 15 H LYS 3 H LYS 3 2.136 10.783 0.150 16 HA LYS 3 HA LYS 3 1.978 9.795 2.932 17 HB2 LYS 3 2HB LYS 3 0.518 11.827 2.739 18 HB3 LYS 3 3HB LYS 3 -0.360 11.062 1.419 19 HG2 LYS 3 2HG LYS 3 -1.036 9.229 2.985 20 HG3 LYS 3 3HG LYS 3 -0.247 10.102 4.302 21 HD2 LYS 3 2HD LYS 3 -1.811 11.998 3.990 22 HD3 LYS 3 3HD LYS 3 -2.570 11.157 2.632 23 HE2 LYS 3 2HE LYS 3 -3.878 10.942 4.727 24 HE3 LYS 3 3HE LYS 3 -3.337 9.376 4.119 25 HZ1 LYS 3 3HZ LYS 3 -3.000 9.490 6.474 26 HZ2 LYS 3 1HZ LYS 3 -2.112 10.924 6.341 27 HZ3 LYS 3 2HZ LYS 3 -1.493 9.478 5.718 28 H VAL 4 H VAL 4 1.321 7.665 3.033 29 HA VAL 4 HA VAL 4 0.277 6.373 0.608 30 HB VAL 4 HB VAL 4 2.765 6.260 0.518 31 HG11 VAL 4 1HG1 VAL 4 2.601 4.541 2.982 32 HG12 VAL 4 2HG1 VAL 4 3.295 6.163 2.887 33 HG13 VAL 4 3HG1 VAL 4 4.043 4.829 2.005 34 HG21 VAL 4 3HG2 VAL 4 1.417 3.566 0.833 35 HG22 VAL 4 1HG2 VAL 4 2.934 3.864 -0.022 36 HG23 VAL 4 2HG2 VAL 4 1.429 4.558 -0.627 37 H LEU 5 H LEU 5 -0.915 4.517 0.939 38 HA LEU 5 HA LEU 5 -1.491 3.733 3.741 39 HB2 LEU 5 2HB LEU 5 -3.426 4.505 2.377 40 HB3 LEU 5 3HB LEU 5 -3.102 3.242 1.199 41 HG LEU 5 HG LEU 5 -3.614 1.511 2.901 42 HD11 LEU 5 1HD1 LEU 5 -2.954 2.650 4.942 43 HD12 LEU 5 2HD1 LEU 5 -4.627 2.114 5.071 44 HD13 LEU 5 3HD1 LEU 5 -4.271 3.815 4.761 45 HD21 LEU 5 3HD2 LEU 5 -5.844 3.554 2.573 46 HD22 LEU 5 1HD2 LEU 5 -6.053 1.858 3.020 47 HD23 LEU 5 2HD2 LEU 5 -5.421 2.277 1.431 48 H LEU 6 H LEU 6 -0.056 2.205 4.236 49 HA LEU 6 HA LEU 6 0.788 0.072 2.476 50 HB2 LEU 6 2HB LEU 6 2.287 1.053 4.193 51 HB3 LEU 6 3HB LEU 6 1.189 0.544 5.463 52 HG LEU 6 HG LEU 6 1.677 -1.833 4.917 53 HD11 LEU 6 1HD1 LEU 6 2.240 -1.653 2.564 54 HD12 LEU 6 2HD1 LEU 6 3.550 -2.431 3.445 55 HD13 LEU 6 3HD1 LEU 6 3.705 -0.744 2.949 56 HD21 LEU 6 3HD2 LEU 6 3.955 -1.900 5.880 57 HD22 LEU 6 1HD2 LEU 6 2.935 -0.726 6.710 58 HD23 LEU 6 2HD2 LEU 6 4.149 -0.175 5.555 59 H VAL 7 H VAL 7 -1.100 -1.014 1.902 60 HA VAL 7 HA VAL 7 -2.891 -2.229 3.849 61 HB VAL 7 HB VAL 7 -2.757 -2.522 0.801 62 HG11 VAL 7 1HG1 VAL 7 -4.935 -3.476 2.708 63 HG12 VAL 7 2HG1 VAL 7 -3.824 -4.499 1.796 64 HG13 VAL 7 3HG1 VAL 7 -5.016 -3.523 0.943 65 HG21 VAL 7 3HG2 VAL 7 -4.605 -0.831 2.533 66 HG22 VAL 7 1HG2 VAL 7 -4.719 -1.012 0.777 67 HG23 VAL 7 2HG2 VAL 7 -3.308 -0.238 1.496 68 H ILE 8 H ILE 8 -2.539 -4.159 4.744 69 HA ILE 8 HA ILE 8 -0.647 -6.092 3.531 70 HB ILE 8 HB ILE 8 -0.792 -5.475 6.532 71 HG12 ILE 8 2HG1 ILE 8 1.236 -4.511 4.464 72 HG13 ILE 8 3HG1 ILE 8 0.196 -3.521 5.473 73 HG21 ILE 8 1HG2 ILE 8 1.227 -6.899 6.704 74 HG22 ILE 8 2HG2 ILE 8 1.190 -7.186 4.964 75 HG23 ILE 8 3HG2 ILE 8 -0.112 -7.797 5.984 76 HD11 ILE 8 3HD1 ILE 8 1.448 -4.192 7.439 77 HD12 ILE 8 1HD1 ILE 8 2.500 -3.493 6.212 78 HD13 ILE 8 2HD1 ILE 8 2.465 -5.239 6.444 79 H SER 9 H SER 9 -1.375 -8.120 3.527 80 HA SER 9 HA SER 9 -2.937 -9.254 5.663 81 HB2 SER 9 2HB SER 9 -4.768 -8.375 4.173 82 HB3 SER 9 3HB SER 9 -4.104 -9.305 2.832 83 HG SER 9 HG SER 9 -5.741 -10.101 4.822 84 H THR 10 H THR 10 -2.797 -11.571 5.592 85 HA THR 10 HA THR 10 -0.589 -12.660 4.040 86 HB THR 10 HB THR 10 -2.445 -14.137 5.972 87 HG1 THR 10 HG1 THR 10 -0.192 -12.476 6.440 88 HG21 THR 10 3HG2 THR 10 0.404 -14.758 5.076 89 HG22 THR 10 1HG2 THR 10 -1.038 -15.651 4.609 90 HG23 THR 10 2HG2 THR 10 -0.504 -15.658 6.293 91 H ASP 11 H ASP 11 -4.077 -12.515 3.885 92 HA ASP 11 HA ASP 11 -4.420 -14.624 1.921 93 HB2 ASP 11 2HB ASP 11 -6.298 -12.389 2.808 94 HB3 ASP 11 3HB ASP 11 -6.743 -13.675 1.689 95 H THR 12 H THR 12 -3.277 -14.237 0.072 96 HA THR 12 HA THR 12 -2.976 -11.727 -1.238 97 HB THR 12 HB THR 12 -2.319 -13.171 -3.264 98 HG1 THR 12 HG1 THR 12 -3.657 -15.004 -2.336 99 HG21 THR 12 3HG2 THR 12 -0.860 -13.744 -0.650 100 HG22 THR 12 1HG2 THR 12 -0.599 -12.345 -1.692 101 HG23 THR 12 2HG2 THR 12 -0.200 -13.963 -2.272 102 H ASN 13 H ASN 13 -5.582 -14.031 -1.183 103 HA ASN 13 HA ASN 13 -6.930 -13.340 -3.597 104 HB2 ASN 13 2HB ASN 13 -7.509 -15.393 -2.320 105 HB3 ASN 13 3HB ASN 13 -8.105 -14.416 -0.982 106 HD21 ASN 13 1HD2 ASN 13 -10.093 -13.262 -1.274 107 HD22 ASN 13 2HD2 ASN 13 -11.219 -13.694 -2.512 108 H ILE 14 H ILE 14 -7.384 -12.308 -0.205 109 HA ILE 14 HA ILE 14 -9.462 -10.460 -0.581 110 HB ILE 14 HB ILE 14 -7.292 -10.547 1.568 111 HG12 ILE 14 2HG1 ILE 14 -8.703 -12.562 1.504 112 HG13 ILE 14 3HG1 ILE 14 -9.025 -11.638 2.964 113 HG21 ILE 14 1HG2 ILE 14 -8.754 -9.136 2.972 114 HG22 ILE 14 2HG2 ILE 14 -9.862 -8.924 1.617 115 HG23 ILE 14 3HG2 ILE 14 -8.222 -8.282 1.524 116 HD11 ILE 14 3HD1 ILE 14 -11.094 -10.777 1.933 117 HD12 ILE 14 1HD1 ILE 14 -11.072 -12.536 2.043 118 HD13 ILE 14 2HD1 ILE 14 -10.766 -11.747 0.496 119 H ILE 15 H ILE 15 -5.935 -9.953 -0.447 120 HA ILE 15 HA ILE 15 -5.853 -7.183 -0.913 121 HB ILE 15 HB ILE 15 -3.810 -9.332 -1.638 122 HG12 ILE 15 2HG1 ILE 15 -3.981 -7.476 0.786 123 HG13 ILE 15 3HG1 ILE 15 -4.334 -9.201 0.787 124 HG21 ILE 15 1HG2 ILE 15 -3.379 -7.316 -2.976 125 HG22 ILE 15 2HG2 ILE 15 -2.126 -7.526 -1.757 126 HG23 ILE 15 3HG2 ILE 15 -3.392 -6.322 -1.516 127 HD11 ILE 15 3HD1 ILE 15 -2.164 -8.762 1.731 128 HD12 ILE 15 1HD1 ILE 15 -1.654 -7.939 0.257 129 HD13 ILE 15 2HD1 ILE 15 -2.002 -9.670 0.227 130 H SER 16 H SER 16 -5.718 -9.912 -3.221 131 HA SER 16 HA SER 16 -5.345 -8.432 -5.590 132 HB2 SER 16 2HB SER 16 -4.925 -10.847 -5.508 133 HB3 SER 16 3HB SER 16 -6.632 -11.172 -5.218 134 HG SER 16 HG SER 16 -6.880 -11.168 -7.295 135 H SER 17 H SER 17 -8.290 -9.453 -3.927 136 HA SER 17 HA SER 17 -10.166 -8.833 -5.952 137 HB2 SER 17 2HB SER 17 -10.567 -8.957 -2.929 138 HB3 SER 17 3HB SER 17 -11.848 -9.030 -4.142 139 HG SER 17 HG SER 17 -9.744 -10.901 -4.272 140 H VAL 18 H VAL 18 -9.186 -7.095 -3.001 141 HA VAL 18 HA VAL 18 -10.680 -4.735 -3.366 142 HB VAL 18 HB VAL 18 -8.105 -5.243 -1.815 143 HG11 VAL 18 1HG1 VAL 18 -8.295 -2.843 -2.231 144 HG12 VAL 18 2HG1 VAL 18 -8.623 -3.185 -0.537 145 HG13 VAL 18 3HG1 VAL 18 -9.958 -2.837 -1.636 146 HG21 VAL 18 3HG2 VAL 18 -9.569 -5.455 0.139 147 HG22 VAL 18 1HG2 VAL 18 -10.039 -6.611 -1.105 148 HG23 VAL 18 2HG2 VAL 18 -10.993 -5.145 -0.855 149 H GLN 19 H GLN 19 -7.402 -5.613 -4.320 150 HA GLN 19 HA GLN 19 -6.466 -3.112 -5.218 151 HB2 GLN 19 2HB GLN 19 -4.992 -5.018 -4.704 152 HB3 GLN 19 3HB GLN 19 -5.666 -5.935 -6.045 153 HG2 GLN 19 2HG GLN 19 -4.729 -4.264 -7.617 154 HG3 GLN 19 3HG GLN 19 -4.006 -3.408 -6.253 155 HE21 GLN 19 1HE2 GLN 19 -3.189 -5.767 -4.771 156 HE22 GLN 19 2HE2 GLN 19 -1.891 -6.490 -5.649 157 H GLU 20 H GLU 20 -8.009 -5.826 -6.939 158 HA GLU 20 HA GLU 20 -8.081 -4.707 -9.518 159 HB2 GLU 20 2HB GLU 20 -9.890 -6.746 -8.159 160 HB3 GLU 20 3HB GLU 20 -10.116 -6.267 -9.835 161 HG2 GLU 20 2HG GLU 20 -7.658 -7.589 -8.673 162 HG3 GLU 20 3HG GLU 20 -8.878 -8.358 -9.682 163 H ARG 21 H ARG 21 -10.558 -4.665 -6.928 164 HA ARG 21 HA ARG 21 -12.511 -3.222 -8.367 165 HB2 ARG 21 2HB ARG 21 -12.145 -3.442 -5.346 166 HB3 ARG 21 3HB ARG 21 -13.605 -2.875 -6.151 167 HG2 ARG 21 2HG ARG 21 -12.430 -5.661 -6.317 168 HG3 ARG 21 3HG ARG 21 -13.867 -5.189 -5.418 169 HD2 ARG 21 2HD ARG 21 -15.052 -4.707 -7.494 170 HD3 ARG 21 3HD ARG 21 -13.592 -5.006 -8.439 171 HE ARG 21 HE ARG 21 -14.199 -7.299 -6.925 172 HH11 ARG 21 1HH1 ARG 21 -15.428 -5.554 -9.742 173 HH12 ARG 21 2HH1 ARG 21 -16.123 -6.974 -10.452 174 HH21 ARG 21 1HH2 ARG 21 -15.103 -9.125 -7.876 175 HH22 ARG 21 2HH2 ARG 21 -15.940 -9.003 -9.390 176 H ALA 22 H ALA 22 -9.797 -2.173 -6.424 177 HA ALA 22 HA ALA 22 -10.554 0.586 -6.190 178 HB1 ALA 22 3HB ALA 22 -8.271 0.914 -5.322 179 HB2 ALA 22 1HB ALA 22 -7.832 -0.723 -5.815 180 HB3 ALA 22 2HB ALA 22 -9.048 -0.474 -4.560 181 H LYS 23 H LYS 23 -8.340 -1.245 -8.311 182 HA LYS 23 HA LYS 23 -7.428 1.062 -9.774 183 HB2 LYS 23 2HB LYS 23 -7.100 -1.931 -10.221 184 HB3 LYS 23 3HB LYS 23 -6.397 -0.725 -11.298 185 HG2 LYS 23 2HG LYS 23 -5.068 0.193 -9.429 186 HG3 LYS 23 3HG LYS 23 -5.790 -0.985 -8.334 187 HD2 LYS 23 2HD LYS 23 -3.487 -1.609 -9.087 188 HD3 LYS 23 3HD LYS 23 -4.702 -2.828 -9.480 189 HE2 LYS 23 2HE LYS 23 -3.033 -2.384 -11.313 190 HE3 LYS 23 3HE LYS 23 -4.713 -2.168 -11.801 191 HZ1 LYS 23 3HZ LYS 23 -4.471 0.180 -11.698 192 HZ2 LYS 23 1HZ LYS 23 -3.157 -0.408 -12.581 193 HZ3 LYS 23 2HZ LYS 23 -2.954 0.073 -10.973 194 H HIS 24 H HIS 24 -10.101 -1.134 -10.147 195 HA HIS 24 HA HIS 24 -10.537 -0.463 -12.967 196 HB2 HIS 24 2HB HIS 24 -11.964 -2.356 -11.057 197 HB3 HIS 24 3HB HIS 24 -12.587 -1.994 -12.666 198 HD1 HIS 24 HD1 HIS 24 -12.146 -4.075 -13.968 199 HD2 HIS 24 HD2 HIS 24 -8.838 -2.952 -11.717 200 HE1 HIS 24 HE1 HIS 24 -10.331 -5.702 -14.574 201 HE2 HIS 24 HE2 HIS 24 -8.427 -5.131 -13.041 202 H ASN 25 H ASN 25 -11.934 0.251 -9.776 203 HA ASN 25 HA ASN 25 -14.084 1.872 -10.899 204 HB2 ASN 25 2HB ASN 25 -14.326 0.583 -8.724 205 HB3 ASN 25 3HB ASN 25 -13.202 1.714 -7.984 206 HD21 ASN 25 1HD2 ASN 25 -15.749 2.590 -10.318 207 HD22 ASN 25 2HD2 ASN 25 -16.686 3.509 -9.196 208 H TYR 26 H TYR 26 -10.812 2.332 -9.791 209 HA TYR 26 HA TYR 26 -10.990 5.236 -10.336 210 HB2 TYR 26 2HB TYR 26 -9.181 4.040 -8.178 211 HB3 TYR 26 3HB TYR 26 -9.532 5.740 -8.468 212 HD1 TYR 26 HD1 TYR 26 -12.085 6.427 -8.196 213 HD2 TYR 26 HD2 TYR 26 -10.371 2.929 -6.443 214 HE1 TYR 26 HE1 TYR 26 -13.962 6.293 -6.622 215 HE2 TYR 26 HE2 TYR 26 -12.251 2.807 -4.860 216 HH TYR 26 HH TYR 26 -15.111 4.580 -5.286 217 HA PRO 27 HA PRO 27 -7.737 3.097 -12.987 218 HB2 PRO 27 2HB PRO 27 -8.471 4.202 -15.392 219 HB3 PRO 27 3HB PRO 27 -9.244 2.751 -14.721 220 HG2 PRO 27 2HG PRO 27 -10.203 5.592 -14.659 221 HG3 PRO 27 3HG PRO 27 -11.116 4.105 -15.004 222 HD2 PRO 27 2HD PRO 27 -11.184 5.333 -12.574 223 HD3 PRO 27 3HD PRO 27 -11.354 3.572 -12.761 224 H GLY 28 H GLY 28 -8.712 6.453 -12.624 225 HA2 GLY 28 2HA GLY 28 -6.185 7.543 -13.681 226 HA3 GLY 28 3HA GLY 28 -7.612 8.450 -13.205 227 H ARG 29 H ARG 29 -6.434 6.000 -11.031 228 HA ARG 29 HA ARG 29 -5.340 8.080 -9.223 229 HB2 ARG 29 2HB ARG 29 -6.843 5.511 -8.581 230 HB3 ARG 29 3HB ARG 29 -5.900 6.374 -7.368 231 HG2 ARG 29 2HG ARG 29 -8.188 7.594 -8.935 232 HG3 ARG 29 3HG ARG 29 -8.327 6.922 -7.309 233 HD2 ARG 29 2HD ARG 29 -6.797 8.597 -6.431 234 HD3 ARG 29 3HD ARG 29 -6.472 9.206 -8.058 235 HE ARG 29 HE ARG 29 -9.248 9.321 -7.371 236 HH11 ARG 29 1HH1 ARG 29 -6.177 11.029 -7.029 237 HH12 ARG 29 2HH1 ARG 29 -6.930 12.575 -6.796 238 HH21 ARG 29 1HH2 ARG 29 -10.213 11.340 -7.117 239 HH22 ARG 29 2HH2 ARG 29 -9.236 12.742 -6.846 240 H GLU 30 H GLU 30 -3.429 7.807 -8.271 241 HA GLU 30 HA GLU 30 -1.574 5.878 -9.321 242 HB2 GLU 30 2HB GLU 30 -1.278 8.130 -7.281 243 HB3 GLU 30 3HB GLU 30 0.059 7.111 -7.804 244 HG2 GLU 30 2HG GLU 30 -1.584 8.939 -9.567 245 HG3 GLU 30 3HG GLU 30 0.060 9.241 -9.000 246 H ILE 31 H ILE 31 -2.130 3.899 -8.633 247 HA ILE 31 HA ILE 31 -2.065 3.268 -5.728 248 HB ILE 31 HB ILE 31 -3.355 1.751 -8.067 249 HG12 ILE 31 2HG1 ILE 31 -4.635 3.106 -5.637 250 HG13 ILE 31 3HG1 ILE 31 -4.645 3.740 -7.276 251 HG21 ILE 31 1HG2 ILE 31 -4.179 0.091 -6.442 252 HG22 ILE 31 2HG2 ILE 31 -3.297 0.897 -5.143 253 HG23 ILE 31 3HG2 ILE 31 -2.415 0.124 -6.461 254 HD11 ILE 31 3HD1 ILE 31 -6.777 2.779 -6.733 255 HD12 ILE 31 1HD1 ILE 31 -6.027 1.242 -6.310 256 HD13 ILE 31 2HD1 ILE 31 -6.005 1.804 -7.983 257 H ARG 32 H ARG 32 -0.697 1.521 -5.092 258 HA ARG 32 HA ARG 32 1.263 0.513 -7.065 259 HB2 ARG 32 2HB ARG 32 1.694 1.610 -4.275 260 HB3 ARG 32 3HB ARG 32 2.816 0.421 -4.921 261 HG2 ARG 32 2HG ARG 32 2.189 3.089 -6.205 262 HG3 ARG 32 3HG ARG 32 3.601 2.744 -5.204 263 HD2 ARG 32 2HD ARG 32 4.183 0.908 -6.882 264 HD3 ARG 32 3HD ARG 32 2.923 1.586 -7.919 265 HE ARG 32 HE ARG 32 4.266 3.740 -7.706 266 HH11 ARG 32 1HH1 ARG 32 5.786 0.555 -7.709 267 HH12 ARG 32 2HH1 ARG 32 7.284 1.154 -8.351 268 HH21 ARG 32 1HH2 ARG 32 6.254 4.487 -8.527 269 HH22 ARG 32 2HH2 ARG 32 7.550 3.362 -8.810 270 H THR 33 H THR 33 2.286 -1.464 -6.480 271 HA THR 33 HA THR 33 0.949 -3.198 -4.518 272 HB THR 33 HB THR 33 1.574 -4.060 -7.391 273 HG1 THR 33 HG1 THR 33 -0.824 -4.244 -7.405 274 HG21 THR 33 3HG2 THR 33 0.153 -5.536 -5.132 275 HG22 THR 33 1HG2 THR 33 1.765 -5.906 -5.752 276 HG23 THR 33 2HG2 THR 33 0.351 -6.126 -6.782 277 H ALA 34 H ALA 34 2.609 -3.658 -3.171 278 HA ALA 34 HA ALA 34 5.325 -4.036 -4.182 279 HB1 ALA 34 3HB ALA 34 4.228 -4.024 -1.371 280 HB2 ALA 34 1HB ALA 34 5.084 -2.709 -2.168 281 HB3 ALA 34 2HB ALA 34 5.933 -4.211 -1.787 282 H THR 35 H THR 35 5.701 -5.964 -5.038 283 HA THR 35 HA THR 35 4.481 -8.420 -3.977 284 HB THR 35 HB THR 35 6.324 -8.103 -6.397 285 HG1 THR 35 HG1 THR 35 4.420 -6.779 -6.590 286 HG21 THR 35 3HG2 THR 35 6.002 -10.444 -5.608 287 HG22 THR 35 1HG2 THR 35 5.262 -10.185 -7.186 288 HG23 THR 35 2HG2 THR 35 4.252 -10.247 -5.742 289 H SER 36 H SER 36 7.456 -6.625 -4.073 290 HA SER 36 HA SER 36 8.932 -8.516 -2.434 291 HB2 SER 36 2HB SER 36 9.858 -7.714 -5.233 292 HB3 SER 36 3HB SER 36 10.862 -8.570 -4.060 293 HG SER 36 HG SER 36 8.924 -10.117 -4.098 294 H SER 37 H SER 37 11.381 -7.507 -2.447 295 HA SER 37 HA SER 37 11.243 -5.149 -0.892 296 HB2 SER 37 2HB SER 37 13.736 -5.366 -0.870 297 HB3 SER 37 3HB SER 37 12.928 -6.891 -0.510 298 HG SER 37 HG SER 37 13.729 -7.731 -2.275 299 H GLN 38 H GLN 38 12.175 -5.800 -4.243 300 HA GLN 38 HA GLN 38 13.390 -3.366 -4.930 301 HB2 GLN 38 2HB GLN 38 13.537 -5.394 -6.333 302 HB3 GLN 38 3HB GLN 38 11.823 -5.285 -6.707 303 HG2 GLN 38 2HG GLN 38 13.191 -4.494 -8.580 304 HG3 GLN 38 3HG GLN 38 12.198 -3.189 -7.932 305 HE21 GLN 38 1HE2 GLN 38 13.216 -1.425 -6.944 306 HE22 GLN 38 2HE2 GLN 38 14.923 -1.174 -6.997 307 H ASP 39 H ASP 39 9.993 -4.352 -4.971 308 HA ASP 39 HA ASP 39 8.858 -2.057 -6.126 309 HB2 ASP 39 2HB ASP 39 7.683 -3.870 -3.972 310 HB3 ASP 39 3HB ASP 39 6.771 -2.730 -4.953 311 H ILE 40 H ILE 40 9.325 -2.891 -2.670 312 HA ILE 40 HA ILE 40 8.418 -0.640 -1.364 313 HB ILE 40 HB ILE 40 10.862 -2.338 -0.675 314 HG12 ILE 40 2HG1 ILE 40 8.837 -3.704 -0.886 315 HG13 ILE 40 3HG1 ILE 40 9.332 -3.621 0.796 316 HG21 ILE 40 1HG2 ILE 40 9.302 -0.490 1.156 317 HG22 ILE 40 2HG2 ILE 40 10.969 -0.277 0.614 318 HG23 ILE 40 3HG2 ILE 40 10.550 -1.624 1.674 319 HD11 ILE 40 3HD1 ILE 40 7.031 -2.123 -0.466 320 HD12 ILE 40 1HD1 ILE 40 7.536 -1.979 1.221 321 HD13 ILE 40 2HD1 ILE 40 6.928 -3.516 0.609 322 H ARG 41 H ARG 41 11.656 -1.170 -2.697 323 HA ARG 41 HA ARG 41 12.895 1.258 -1.957 324 HB2 ARG 41 2HB ARG 41 13.432 -0.709 -4.221 325 HB3 ARG 41 3HB ARG 41 14.522 0.614 -3.823 326 HG2 ARG 41 2HG ARG 41 13.745 -1.530 -1.823 327 HG3 ARG 41 3HG ARG 41 15.133 -1.678 -2.901 328 HD2 ARG 41 2HD ARG 41 14.740 0.545 -0.862 329 HD3 ARG 41 3HD ARG 41 15.784 -0.872 -0.660 330 HE ARG 41 HE ARG 41 16.618 0.217 -3.011 331 HH11 ARG 41 1HH1 ARG 41 16.364 1.515 0.256 332 HH12 ARG 41 2HH1 ARG 41 17.676 2.621 0.024 333 HH21 ARG 41 1HH2 ARG 41 18.334 1.671 -3.268 334 HH22 ARG 41 2HH2 ARG 41 18.781 2.710 -1.948 335 H ASP 42 H ASP 42 11.292 0.269 -4.982 336 HA ASP 42 HA ASP 42 11.879 2.621 -6.471 337 HB2 ASP 42 2HB ASP 42 11.432 0.414 -7.526 338 HB3 ASP 42 3HB ASP 42 9.760 0.481 -6.977 339 H ILE 43 H ILE 43 9.159 1.617 -4.508 340 HA ILE 43 HA ILE 43 7.223 3.515 -5.382 341 HB ILE 43 HB ILE 43 7.387 1.840 -2.825 342 HG12 ILE 43 2HG1 ILE 43 5.569 1.497 -5.261 343 HG13 ILE 43 3HG1 ILE 43 7.070 0.616 -5.031 344 HG21 ILE 43 1HG2 ILE 43 5.023 2.407 -2.395 345 HG22 ILE 43 2HG2 ILE 43 5.024 3.520 -3.762 346 HG23 ILE 43 3HG2 ILE 43 6.034 3.848 -2.352 347 HD11 ILE 43 3HD1 ILE 43 6.128 -0.424 -3.012 348 HD12 ILE 43 1HD1 ILE 43 5.177 -0.758 -4.460 349 HD13 ILE 43 2HD1 ILE 43 4.614 0.437 -3.294 350 H ILE 44 H ILE 44 9.290 3.337 -2.467 351 HA ILE 44 HA ILE 44 8.406 5.819 -1.360 352 HB ILE 44 HB ILE 44 10.821 4.082 -0.681 353 HG12 ILE 44 2HG1 ILE 44 8.079 4.301 0.666 354 HG13 ILE 44 3HG1 ILE 44 8.566 3.001 -0.413 355 HG21 ILE 44 1HG2 ILE 44 9.653 6.387 0.937 356 HG22 ILE 44 2HG2 ILE 44 11.225 6.373 0.139 357 HG23 ILE 44 3HG2 ILE 44 10.918 5.286 1.492 358 HD11 ILE 44 3HD1 ILE 44 10.273 2.316 1.183 359 HD12 ILE 44 1HD1 ILE 44 8.660 2.315 1.894 360 HD13 ILE 44 2HD1 ILE 44 9.783 3.620 2.268 361 H LYS 45 H LYS 45 11.112 4.858 -3.432 362 HA LYS 45 HA LYS 45 12.462 7.348 -3.520 363 HB2 LYS 45 2HB LYS 45 13.122 4.999 -4.552 364 HB3 LYS 45 3HB LYS 45 12.255 5.555 -5.973 365 HG2 LYS 45 2HG LYS 45 14.639 6.965 -4.708 366 HG3 LYS 45 3HG LYS 45 14.730 5.889 -6.094 367 HD2 LYS 45 2HD LYS 45 13.264 8.565 -6.028 368 HD3 LYS 45 3HD LYS 45 14.846 8.284 -6.751 369 HE2 LYS 45 2HE LYS 45 12.250 6.991 -7.658 370 HE3 LYS 45 3HE LYS 45 13.050 8.347 -8.454 371 HZ1 LYS 45 3HZ LYS 45 14.218 5.646 -8.093 372 HZ2 LYS 45 1HZ LYS 45 14.938 6.939 -8.913 373 HZ3 LYS 45 2HZ LYS 45 13.529 6.226 -9.521 374 H SER 46 H SER 46 9.722 6.046 -5.407 375 HA SER 46 HA SER 46 9.356 8.275 -7.139 376 HB2 SER 46 2HB SER 46 8.506 5.922 -7.546 377 HB3 SER 46 3HB SER 46 7.263 6.197 -6.323 378 HG SER 46 HG SER 46 7.630 7.497 -8.813 379 H MET 47 H MET 47 8.160 7.498 -3.924 380 HA MET 47 HA MET 47 6.116 9.445 -3.647 381 HB2 MET 47 2HB MET 47 7.903 8.167 -1.529 382 HB3 MET 47 3HB MET 47 6.494 9.156 -1.159 383 HG2 MET 47 2HG MET 47 6.405 6.560 -2.707 384 HG3 MET 47 3HG MET 47 6.072 6.719 -0.986 385 HE1 MET 47 3HE MET 47 2.800 8.764 -0.918 386 HE2 MET 47 1HE MET 47 4.464 9.292 -0.669 387 HE3 MET 47 2HE MET 47 3.912 7.759 0.012 388 H LYS 48 H LYS 48 9.581 9.491 -2.968 389 HA LYS 48 HA LYS 48 9.607 12.203 -1.954 390 HB2 LYS 48 2HB LYS 48 11.769 10.177 -2.606 391 HB3 LYS 48 3HB LYS 48 12.139 11.795 -2.013 392 HG2 LYS 48 2HG LYS 48 10.443 9.750 -0.548 393 HG3 LYS 48 3HG LYS 48 12.141 10.092 -0.219 394 HD2 LYS 48 2HD LYS 48 9.826 12.050 0.105 395 HD3 LYS 48 3HD LYS 48 10.686 11.235 1.414 396 HE2 LYS 48 2HE LYS 48 11.885 13.231 -0.527 397 HE3 LYS 48 3HE LYS 48 11.454 13.554 1.148 398 HZ1 LYS 48 3HZ LYS 48 13.482 11.544 0.317 399 HZ2 LYS 48 1HZ LYS 48 13.146 12.062 1.890 400 HZ3 LYS 48 2HZ LYS 48 13.851 13.127 0.783 401 H ASP 49 H ASP 49 10.486 10.644 -4.996 402 HA ASP 49 HA ASP 49 11.932 12.828 -6.116 403 HB2 ASP 49 2HB ASP 49 12.314 10.504 -6.842 404 HB3 ASP 49 3HB ASP 49 10.668 10.397 -7.459 405 H ASN 50 H ASN 50 8.628 11.609 -6.477 406 HA ASN 50 HA ASN 50 7.806 13.815 -8.197 407 HB2 ASN 50 2HB ASN 50 6.953 11.476 -8.527 408 HB3 ASN 50 3HB ASN 50 6.144 11.562 -6.971 409 HD21 ASN 50 1HD2 ASN 50 5.028 11.131 -9.664 410 HD22 ASN 50 2HD2 ASN 50 3.848 12.368 -9.892 411 H GLY 51 H GLY 51 6.804 12.538 -4.985 412 HA2 GLY 51 2HA GLY 51 6.027 13.755 -3.111 413 HA3 GLY 51 3HA GLY 51 5.943 15.217 -4.096 414 H LYS 52 H LYS 52 4.367 12.160 -3.330 415 HA LYS 52 HA LYS 52 1.868 12.946 -4.656 416 HB2 LYS 52 2HB LYS 52 1.859 10.934 -6.078 417 HB3 LYS 52 3HB LYS 52 3.274 11.917 -6.429 418 HG2 LYS 52 2HG LYS 52 4.628 10.376 -4.968 419 HG3 LYS 52 3HG LYS 52 3.210 9.337 -4.822 420 HD2 LYS 52 2HD LYS 52 4.675 10.039 -7.391 421 HD3 LYS 52 3HD LYS 52 4.745 8.492 -6.548 422 HE2 LYS 52 2HE LYS 52 2.341 8.144 -6.995 423 HE3 LYS 52 3HE LYS 52 2.267 9.703 -7.822 424 HZ1 LYS 52 3HZ LYS 52 3.752 8.902 -9.496 425 HZ2 LYS 52 1HZ LYS 52 2.498 7.786 -9.328 426 HZ3 LYS 52 2HZ LYS 52 4.006 7.453 -8.659 427 HA PRO 53 HA PRO 53 0.346 9.783 -1.674 428 HB2 PRO 53 2HB PRO 53 -2.272 9.700 -2.329 429 HB3 PRO 53 3HB PRO 53 -1.555 11.139 -1.582 430 HG2 PRO 53 2HG PRO 53 -2.348 10.697 -4.418 431 HG3 PRO 53 3HG PRO 53 -2.400 12.184 -3.448 432 HD2 PRO 53 2HD PRO 53 -0.364 11.444 -5.301 433 HD3 PRO 53 3HD PRO 53 -0.309 12.795 -4.149 434 H LEU 54 H LEU 54 0.183 7.560 -1.677 435 HA LEU 54 HA LEU 54 -0.569 6.065 -4.109 436 HB2 LEU 54 2HB LEU 54 2.058 5.774 -2.595 437 HB3 LEU 54 3HB LEU 54 1.419 4.458 -3.564 438 HG LEU 54 HG LEU 54 2.134 7.206 -4.675 439 HD11 LEU 54 1HD1 LEU 54 4.098 6.151 -5.702 440 HD12 LEU 54 2HD1 LEU 54 3.729 4.629 -4.886 441 HD13 LEU 54 3HD1 LEU 54 4.171 6.049 -3.946 442 HD21 LEU 54 3HD2 LEU 54 1.361 4.640 -6.096 443 HD22 LEU 54 1HD2 LEU 54 1.906 6.126 -6.884 444 HD23 LEU 54 2HD2 LEU 54 0.398 6.112 -5.978 445 H VAL 55 H VAL 55 -1.212 3.852 -3.658 446 HA VAL 55 HA VAL 55 -1.641 3.149 -0.802 447 HB VAL 55 HB VAL 55 -3.466 2.345 -3.140 448 HG11 VAL 55 1HG1 VAL 55 -4.953 1.430 -1.383 449 HG12 VAL 55 2HG1 VAL 55 -3.760 1.835 -0.149 450 HG13 VAL 55 3HG1 VAL 55 -3.380 0.635 -1.386 451 HG21 VAL 55 3HG2 VAL 55 -4.018 4.378 -0.935 452 HG22 VAL 55 1HG2 VAL 55 -5.184 3.822 -2.142 453 HG23 VAL 55 2HG2 VAL 55 -3.762 4.734 -2.644 454 H VAL 56 H VAL 56 -0.014 1.697 -0.436 455 HA VAL 56 HA VAL 56 0.905 -0.111 -2.557 456 HB VAL 56 HB VAL 56 1.975 0.465 0.245 457 HG11 VAL 56 1HG1 VAL 56 3.983 -0.843 -0.374 458 HG12 VAL 56 2HG1 VAL 56 3.205 -1.343 -1.879 459 HG13 VAL 56 3HG1 VAL 56 2.540 -1.855 -0.326 460 HG21 VAL 56 3HG2 VAL 56 3.787 1.612 -0.923 461 HG22 VAL 56 1HG2 VAL 56 2.232 2.290 -1.401 462 HG23 VAL 56 2HG2 VAL 56 3.086 1.194 -2.490 463 H PHE 57 H PHE 57 -0.313 -1.897 -2.811 464 HA PHE 57 HA PHE 57 -1.264 -3.515 -0.567 465 HB2 PHE 57 2HB PHE 57 -1.312 -3.940 -3.595 466 HB3 PHE 57 3HB PHE 57 -2.016 -5.054 -2.434 467 HD1 PHE 57 HD1 PHE 57 -2.378 -1.725 -4.021 468 HD2 PHE 57 HD2 PHE 57 -4.133 -4.563 -1.347 469 HE1 PHE 57 HE1 PHE 57 -4.510 -0.494 -4.097 470 HE2 PHE 57 HE2 PHE 57 -6.253 -3.328 -1.438 471 HZ PHE 57 HZ PHE 57 -6.445 -1.295 -2.810 472 H VAL 58 H VAL 58 0.456 -4.532 0.511 473 HA VAL 58 HA VAL 58 2.587 -5.805 -1.021 474 HB VAL 58 HB VAL 58 3.531 -6.601 1.128 475 HG11 VAL 58 1HG1 VAL 58 4.322 -4.476 0.353 476 HG12 VAL 58 2HG1 VAL 58 4.144 -4.377 2.100 477 HG13 VAL 58 3HG1 VAL 58 2.935 -3.636 1.045 478 HG21 VAL 58 3HG2 VAL 58 2.665 -5.830 3.295 479 HG22 VAL 58 1HG2 VAL 58 1.524 -6.898 2.477 480 HG23 VAL 58 2HG2 VAL 58 1.244 -5.155 2.489 481 H ASN 59 H ASN 59 1.706 -7.379 -2.266 482 HA ASN 59 HA ASN 59 -0.414 -9.100 -1.544 483 HB2 ASN 59 2HB ASN 59 1.612 -9.245 -3.794 484 HB3 ASN 59 3HB ASN 59 0.427 -10.525 -3.556 485 HD21 ASN 59 1HD2 ASN 59 -0.782 -10.210 -5.377 486 HD22 ASN 59 2HD2 ASN 59 -1.665 -8.765 -5.706 487 H GLY 60 H GLY 60 -0.034 -10.017 0.420 488 HA2 GLY 60 2HA GLY 60 0.617 -11.550 1.972 489 HA3 GLY 60 3HA GLY 60 0.894 -12.615 0.599 490 H ALA 61 H ALA 61 2.576 -9.618 1.360 491 HA ALA 61 HA ALA 61 5.154 -10.862 0.962 492 HB1 ALA 61 3HB ALA 61 6.034 -8.590 1.181 493 HB2 ALA 61 1HB ALA 61 4.464 -8.014 1.741 494 HB3 ALA 61 2HB ALA 61 4.646 -8.613 0.092 495 H SER 62 H SER 62 6.966 -10.135 2.574 496 HA SER 62 HA SER 62 6.268 -11.414 5.114 497 HB2 SER 62 2HB SER 62 8.751 -11.605 5.381 498 HB3 SER 62 3HB SER 62 8.171 -12.324 3.880 499 HG SER 62 HG SER 62 8.788 -9.703 3.506 500 H GLN 63 H GLN 63 7.260 -10.566 7.129 501 HA GLN 63 HA GLN 63 6.636 -7.841 7.582 502 HB2 GLN 63 2HB GLN 63 6.469 -9.574 9.339 503 HB3 GLN 63 3HB GLN 63 8.217 -9.762 9.347 504 HG2 GLN 63 2HG GLN 63 7.475 -8.425 11.256 505 HG3 GLN 63 3HG GLN 63 8.466 -7.445 10.176 506 HE21 GLN 63 1HE2 GLN 63 7.575 -5.491 10.941 507 HE22 GLN 63 2HE2 GLN 63 5.956 -5.011 10.582 508 H ASN 64 H ASN 64 9.552 -9.430 6.541 509 HA ASN 64 HA ASN 64 11.545 -7.635 7.324 510 HB2 ASN 64 2HB ASN 64 12.062 -9.815 6.307 511 HB3 ASN 64 3HB ASN 64 11.382 -9.286 4.773 512 HD21 ASN 64 1HD2 ASN 64 13.454 -7.155 6.741 513 HD22 ASN 64 2HD2 ASN 64 14.791 -7.185 5.652 514 H ASP 65 H ASP 65 9.817 -7.673 4.138 515 HA ASP 65 HA ASP 65 10.941 -5.184 3.270 516 HB2 ASP 65 2HB ASP 65 9.382 -5.317 1.357 517 HB3 ASP 65 3HB ASP 65 10.209 -6.835 1.608 518 H VAL 66 H VAL 66 8.039 -6.033 5.057 519 HA VAL 66 HA VAL 66 6.694 -3.538 4.981 520 HB VAL 66 HB VAL 66 6.731 -5.667 7.177 521 HG11 VAL 66 1HG1 VAL 66 4.829 -3.292 6.942 522 HG12 VAL 66 2HG1 VAL 66 6.063 -3.514 8.184 523 HG13 VAL 66 3HG1 VAL 66 4.691 -4.617 8.106 524 HG21 VAL 66 3HG2 VAL 66 5.805 -6.431 5.020 525 HG22 VAL 66 1HG2 VAL 66 4.660 -5.088 5.020 526 HG23 VAL 66 2HG2 VAL 66 4.549 -6.347 6.253 527 H ASN 67 H ASN 67 9.239 -4.788 7.171 528 HA ASN 67 HA ASN 67 9.441 -2.574 8.924 529 HB2 ASN 67 2HB ASN 67 11.634 -4.537 8.072 530 HB3 ASN 67 3HB ASN 67 11.778 -3.402 9.413 531 HD21 ASN 67 1HD2 ASN 67 11.934 -6.317 9.411 532 HD22 ASN 67 2HD2 ASN 67 10.710 -6.865 10.494 533 H GLU 68 H GLU 68 11.148 -3.425 5.935 534 HA GLU 68 HA GLU 68 12.857 -1.179 5.819 535 HB2 GLU 68 2HB GLU 68 11.877 -2.778 3.417 536 HB3 GLU 68 3HB GLU 68 13.367 -1.847 3.545 537 HG2 GLU 68 2HG GLU 68 12.685 -4.424 4.962 538 HG3 GLU 68 3HG GLU 68 13.889 -4.193 3.710 539 H PHE 69 H PHE 69 9.569 -1.745 4.632 540 HA PHE 69 HA PHE 69 9.287 0.584 3.055 541 HB2 PHE 69 2HB PHE 69 7.677 -1.350 3.029 542 HB3 PHE 69 3HB PHE 69 7.072 -0.848 4.605 543 HD1 PHE 69 HD2 PHE 69 7.244 0.028 1.007 544 HD2 PHE 69 HD1 PHE 69 5.566 1.077 4.798 545 HE1 PHE 69 HE2 PHE 69 5.667 1.550 -0.104 546 HE2 PHE 69 HE1 PHE 69 4.000 2.605 3.675 547 HZ PHE 69 HZ PHE 69 4.052 2.837 1.227 548 H GLN 70 H GLN 70 8.712 -0.052 6.468 549 HA GLN 70 HA GLN 70 7.646 2.511 7.132 550 HB2 GLN 70 2HB GLN 70 8.839 0.344 8.914 551 HB3 GLN 70 3HB GLN 70 7.926 1.741 9.486 552 HG2 GLN 70 2HG GLN 70 5.912 0.945 8.344 553 HG3 GLN 70 3HG GLN 70 6.814 -0.399 7.645 554 HE21 GLN 70 1HE2 GLN 70 7.477 -2.118 9.017 555 HE22 GLN 70 2HE2 GLN 70 6.711 -2.395 10.542 556 H ASN 71 H ASN 71 10.905 1.062 7.329 557 HA ASN 71 HA ASN 71 12.090 3.226 8.785 558 HB2 ASN 71 2HB ASN 71 13.228 0.770 7.414 559 HB3 ASN 71 3HB ASN 71 14.316 2.035 7.959 560 HD21 ASN 71 1HD2 ASN 71 12.326 -0.605 8.953 561 HD22 ASN 71 2HD2 ASN 71 12.706 -0.542 10.631 562 H GLU 72 H GLU 72 12.104 2.279 5.356 563 HA GLU 72 HA GLU 72 13.789 4.366 4.454 564 HB2 GLU 72 2HB GLU 72 11.697 2.750 2.960 565 HB3 GLU 72 3HB GLU 72 12.786 3.889 2.185 566 HG2 GLU 72 2HG GLU 72 13.634 1.415 3.706 567 HG3 GLU 72 3HG GLU 72 13.525 1.543 1.955 568 H ALA 73 H ALA 73 10.228 4.075 4.633 569 HA ALA 73 HA ALA 73 9.619 6.551 3.457 570 HB1 ALA 73 3HB ALA 73 7.963 4.785 3.750 571 HB2 ALA 73 1HB ALA 73 7.393 6.295 4.468 572 HB3 ALA 73 2HB ALA 73 8.010 5.001 5.500 573 H LYS 74 H LYS 74 10.157 5.723 6.921 574 HA LYS 74 HA LYS 74 9.439 8.314 7.894 575 HB2 LYS 74 2HB LYS 74 10.155 7.586 10.102 576 HB3 LYS 74 3HB LYS 74 9.225 6.324 9.326 577 HG2 LYS 74 2HG LYS 74 10.878 5.052 10.273 578 HG3 LYS 74 3HG LYS 74 11.609 5.368 8.702 579 HD2 LYS 74 2HD LYS 74 12.866 7.291 9.769 580 HD3 LYS 74 3HD LYS 74 12.244 6.754 11.333 581 HE2 LYS 74 2HE LYS 74 13.952 5.107 9.446 582 HE3 LYS 74 3HE LYS 74 14.529 5.920 10.896 583 HZ1 LYS 74 3HZ LYS 74 13.139 4.489 12.230 584 HZ2 LYS 74 1HZ LYS 74 14.138 3.554 11.234 585 HZ3 LYS 74 2HZ LYS 74 12.506 3.749 10.847 586 H LYS 75 H LYS 75 12.572 6.861 7.019 587 HA LYS 75 HA LYS 75 14.158 9.004 8.111 588 HB2 LYS 75 2HB LYS 75 16.080 7.988 7.048 589 HB3 LYS 75 3HB LYS 75 15.091 6.710 7.738 590 HG2 LYS 75 2HG LYS 75 14.205 6.175 5.501 591 HG3 LYS 75 3HG LYS 75 15.171 7.469 4.797 592 HD2 LYS 75 2HD LYS 75 16.281 5.011 6.208 593 HD3 LYS 75 3HD LYS 75 16.192 5.230 4.462 594 HE2 LYS 75 2HE LYS 75 17.718 7.185 4.651 595 HE3 LYS 75 3HE LYS 75 17.834 6.905 6.392 596 HZ1 LYS 75 3HZ LYS 75 19.709 5.941 5.193 597 HZ2 LYS 75 1HZ LYS 75 18.654 4.981 4.283 598 HZ3 LYS 75 2HZ LYS 75 18.794 4.734 5.947 599 H GLU 76 H GLU 76 12.634 8.332 5.056 600 HA GLU 76 HA GLU 76 13.889 10.446 3.572 601 HB2 GLU 76 2HB GLU 76 11.532 8.611 3.021 602 HB3 GLU 76 3HB GLU 76 12.000 9.886 1.909 603 HG2 GLU 76 2HG GLU 76 13.702 7.526 2.742 604 HG3 GLU 76 3HG GLU 76 12.898 7.743 1.189 605 H GLY 77 H GLY 77 10.959 10.109 5.488 606 HA2 GLY 77 2HA GLY 77 9.661 11.849 6.399 607 HA3 GLY 77 3HA GLY 77 10.307 12.962 5.199 608 H VAL 78 H VAL 78 8.581 9.873 5.199 609 HA VAL 78 HA VAL 78 6.468 10.903 3.406 610 HB VAL 78 HB VAL 78 7.734 8.104 3.340 611 HG11 VAL 78 1HG1 VAL 78 5.323 7.926 2.963 612 HG12 VAL 78 2HG1 VAL 78 6.193 7.602 1.465 613 HG13 VAL 78 3HG1 VAL 78 5.394 9.159 1.700 614 HG21 VAL 78 3HG2 VAL 78 8.423 8.640 1.031 615 HG22 VAL 78 1HG2 VAL 78 9.136 9.759 2.193 616 HG23 VAL 78 2HG2 VAL 78 7.767 10.270 1.203 617 H SER 79 H SER 79 4.654 10.948 4.588 618 HA SER 79 HA SER 79 4.285 9.557 7.060 619 HB2 SER 79 2HB SER 79 2.248 11.089 5.374 620 HB3 SER 79 3HB SER 79 2.065 10.653 7.073 621 HG SER 79 HG SER 79 4.274 11.896 7.116 622 H TYR 80 H TYR 80 3.875 7.409 7.127 623 HA TYR 80 HA TYR 80 2.212 6.161 5.018 624 HB2 TYR 80 2HB TYR 80 3.415 4.047 5.544 625 HB3 TYR 80 3HB TYR 80 4.491 5.308 4.976 626 HD1 TYR 80 HD2 TYR 80 6.131 6.368 6.514 627 HD2 TYR 80 HD1 TYR 80 3.629 3.182 7.859 628 HE1 TYR 80 HE2 TYR 80 7.571 6.063 8.479 629 HE2 TYR 80 HE1 TYR 80 5.074 2.888 9.825 630 HH TYR 80 HH TYR 80 7.496 5.155 10.694 631 H ASP 81 H ASP 81 0.379 5.228 5.605 632 HA ASP 81 HA ASP 81 -0.291 4.795 8.452 633 HB2 ASP 81 2HB ASP 81 -2.005 4.749 5.919 634 HB3 ASP 81 3HB ASP 81 -2.610 4.260 7.499 635 H VAL 82 H VAL 82 0.041 2.796 9.249 636 HA VAL 82 HA VAL 82 0.461 0.519 7.439 637 HB VAL 82 HB VAL 82 0.774 0.542 10.496 638 HG11 VAL 82 1HG1 VAL 82 0.546 -1.698 9.482 639 HG12 VAL 82 2HG1 VAL 82 2.165 -1.460 10.136 640 HG13 VAL 82 3HG1 VAL 82 1.896 -1.356 8.394 641 HG21 VAL 82 3HG2 VAL 82 2.954 1.027 8.416 642 HG22 VAL 82 1HG2 VAL 82 3.200 0.867 10.158 643 HG23 VAL 82 2HG2 VAL 82 2.291 2.235 9.517 644 H LEU 83 H LEU 83 -1.112 -0.947 7.081 645 HA LEU 83 HA LEU 83 -3.505 -1.074 8.818 646 HB2 LEU 83 2HB LEU 83 -3.984 0.503 6.992 647 HB3 LEU 83 3HB LEU 83 -3.418 -0.650 5.799 648 HG LEU 83 HG LEU 83 -5.344 -2.152 6.414 649 HD11 LEU 83 1HD1 LEU 83 -6.338 0.211 8.036 650 HD12 LEU 83 2HD1 LEU 83 -5.818 -1.351 8.675 651 HD13 LEU 83 3HD1 LEU 83 -7.252 -1.254 7.659 652 HD21 LEU 83 3HD2 LEU 83 -6.096 0.611 5.401 653 HD22 LEU 83 1HD2 LEU 83 -7.035 -0.869 5.175 654 HD23 LEU 83 2HD2 LEU 83 -5.446 -0.716 4.434 655 H LYS 84 H LYS 84 -3.269 -3.146 9.544 656 HA LYS 84 HA LYS 84 -2.888 -5.348 7.584 657 HB2 LYS 84 2HB LYS 84 -2.492 -5.293 10.615 658 HB3 LYS 84 3HB LYS 84 -2.566 -6.792 9.694 659 HG2 LYS 84 2HG LYS 84 -0.274 -6.386 9.988 660 HG3 LYS 84 3HG LYS 84 -0.607 -5.893 8.330 661 HD2 LYS 84 2HD LYS 84 0.771 -4.181 9.139 662 HD3 LYS 84 3HD LYS 84 -0.843 -3.493 9.300 663 HE2 LYS 84 2HE LYS 84 0.810 -4.734 11.531 664 HE3 LYS 84 3HE LYS 84 0.542 -3.015 11.274 665 HZ1 LYS 84 3HZ LYS 84 -0.908 -3.721 12.972 666 HZ2 LYS 84 1HZ LYS 84 -1.464 -5.043 12.080 667 HZ3 LYS 84 2HZ LYS 84 -1.867 -3.471 11.610 668 H SER 85 H SER 85 -4.771 -6.143 6.885 669 HA SER 85 HA SER 85 -6.849 -6.963 8.722 670 HB2 SER 85 2HB SER 85 -7.525 -4.624 8.375 671 HB3 SER 85 3HB SER 85 -7.447 -4.834 6.629 672 HG SER 85 HG SER 85 -9.585 -5.021 7.761 673 H THR 86 H THR 86 -8.207 -8.485 7.884 674 HA THR 86 HA THR 86 -7.560 -9.613 5.236 675 HB THR 86 HB THR 86 -8.549 -11.729 6.163 676 HG1 THR 86 HG1 THR 86 -8.958 -11.783 8.442 677 HG21 THR 86 3HG2 THR 86 -6.328 -10.567 7.894 678 HG22 THR 86 1HG2 THR 86 -6.106 -11.395 6.350 679 HG23 THR 86 2HG2 THR 86 -6.729 -12.279 7.742 680 H ASP 87 H ASP 87 -9.791 -7.587 6.586 681 HA ASP 87 HA ASP 87 -12.260 -8.733 5.549 682 HB2 ASP 87 2HB ASP 87 -11.778 -5.893 6.588 683 HB3 ASP 87 3HB ASP 87 -13.340 -6.673 6.340 684 HA PRO 88 HA PRO 88 -11.146 -6.996 1.466 685 HB2 PRO 88 2HB PRO 88 -13.320 -7.950 0.045 686 HB3 PRO 88 3HB PRO 88 -11.914 -8.953 0.469 687 HG2 PRO 88 2HG PRO 88 -14.576 -8.789 1.835 688 HG3 PRO 88 3HG PRO 88 -13.590 -10.218 1.450 689 HD2 PRO 88 2HD PRO 88 -13.634 -9.133 3.942 690 HD3 PRO 88 3HD PRO 88 -12.183 -9.911 3.277 691 H GLU 89 H GLU 89 -14.376 -6.697 2.920 692 HA GLU 89 HA GLU 89 -15.311 -4.508 1.432 693 HB2 GLU 89 2HB GLU 89 -16.974 -4.193 3.244 694 HB3 GLU 89 3HB GLU 89 -16.823 -5.883 2.775 695 HG2 GLU 89 2HG GLU 89 -15.509 -6.376 4.766 696 HG3 GLU 89 3HG GLU 89 -15.480 -4.673 5.211 697 H GLU 90 H GLU 90 -13.499 -4.632 4.498 698 HA GLU 90 HA GLU 90 -13.575 -1.861 5.054 699 HB2 GLU 90 2HB GLU 90 -13.066 -3.397 6.867 700 HB3 GLU 90 3HB GLU 90 -11.631 -3.999 6.032 701 HG2 GLU 90 2HG GLU 90 -10.497 -1.889 6.296 702 HG3 GLU 90 3HG GLU 90 -11.962 -1.106 6.884 703 H LEU 91 H LEU 91 -11.025 -3.929 3.637 704 HA LEU 91 HA LEU 91 -9.140 -1.919 3.191 705 HB2 LEU 91 2HB LEU 91 -9.565 -4.493 1.643 706 HB3 LEU 91 3HB LEU 91 -8.140 -3.480 1.503 707 HG LEU 91 HG LEU 91 -9.013 -5.000 3.991 708 HD11 LEU 91 1HD1 LEU 91 -6.646 -5.478 2.147 709 HD12 LEU 91 2HD1 LEU 91 -8.103 -6.467 2.249 710 HD13 LEU 91 3HD1 LEU 91 -7.010 -6.374 3.626 711 HD21 LEU 91 3HD2 LEU 91 -6.885 -4.259 5.002 712 HD22 LEU 91 1HD2 LEU 91 -7.943 -2.898 4.639 713 HD23 LEU 91 2HD2 LEU 91 -6.565 -3.245 3.595 714 H THR 92 H THR 92 -11.860 -2.976 1.146 715 HA THR 92 HA THR 92 -11.269 -1.493 -1.184 716 HB THR 92 HB THR 92 -14.011 -2.311 -0.101 717 HG1 THR 92 HG1 THR 92 -12.174 -3.892 -0.809 718 HG21 THR 92 3HG2 THR 92 -13.240 -1.476 -2.926 719 HG22 THR 92 1HG2 THR 92 -14.257 -0.554 -1.830 720 HG23 THR 92 2HG2 THR 92 -14.812 -2.117 -2.439 721 H GLN 93 H GLN 93 -13.253 -0.611 1.709 722 HA GLN 93 HA GLN 93 -13.745 2.030 0.673 723 HB2 GLN 93 2HB GLN 93 -14.887 2.521 2.792 724 HB3 GLN 93 3HB GLN 93 -15.446 1.044 2.043 725 HG2 GLN 93 2HG GLN 93 -15.414 0.565 4.327 726 HG3 GLN 93 3HG GLN 93 -13.969 -0.210 3.693 727 HE21 GLN 93 1HE2 GLN 93 -14.192 3.266 4.342 728 HE22 GLN 93 2HE2 GLN 93 -13.104 3.257 5.678 729 H ARG 94 H ARG 94 -11.203 0.675 2.647 730 HA ARG 94 HA ARG 94 -10.253 3.104 3.811 731 HB2 ARG 94 2HB ARG 94 -8.792 0.500 3.173 732 HB3 ARG 94 3HB ARG 94 -8.057 1.831 4.056 733 HG2 ARG 94 2HG ARG 94 -10.497 0.286 4.965 734 HG3 ARG 94 3HG ARG 94 -8.851 0.005 5.518 735 HD2 ARG 94 2HD ARG 94 -8.788 2.278 6.471 736 HD3 ARG 94 3HD ARG 94 -10.446 2.552 5.915 737 HE ARG 94 HE ARG 94 -10.407 0.227 7.471 738 HH11 ARG 94 1HH1 ARG 94 -10.029 3.690 7.919 739 HH12 ARG 94 2HH1 ARG 94 -10.600 3.650 9.557 740 HH21 ARG 94 1HH2 ARG 94 -11.130 0.178 9.603 741 HH22 ARG 94 2HH2 ARG 94 -11.225 1.656 10.516 742 H VAL 95 H VAL 95 -9.572 1.437 0.744 743 HA VAL 95 HA VAL 95 -7.419 3.094 -0.094 744 HB VAL 95 HB VAL 95 -9.339 1.432 -1.797 745 HG11 VAL 95 1HG1 VAL 95 -7.584 1.520 -3.561 746 HG12 VAL 95 2HG1 VAL 95 -6.664 2.666 -2.583 747 HG13 VAL 95 3HG1 VAL 95 -8.254 3.111 -3.206 748 HG21 VAL 95 3HG2 VAL 95 -8.078 0.090 -0.151 749 HG22 VAL 95 1HG2 VAL 95 -6.559 0.732 -0.775 750 HG23 VAL 95 2HG2 VAL 95 -7.581 -0.281 -1.798 751 H ARG 96 H ARG 96 -10.949 3.195 -0.849 752 HA ARG 96 HA ARG 96 -10.744 5.437 -2.609 753 HB2 ARG 96 2HB ARG 96 -13.204 5.634 -2.440 754 HB3 ARG 96 3HB ARG 96 -12.678 3.999 -2.814 755 HG2 ARG 96 2HG ARG 96 -13.126 3.282 -0.540 756 HG3 ARG 96 3HG ARG 96 -13.498 4.937 -0.054 757 HD2 ARG 96 2HD ARG 96 -15.517 3.486 -0.437 758 HD3 ARG 96 3HD ARG 96 -15.493 4.969 -1.399 759 HE ARG 96 HE ARG 96 -14.364 3.123 -3.046 760 HH11 ARG 96 1HH1 ARG 96 -17.471 3.254 -1.377 761 HH12 ARG 96 2HH1 ARG 96 -18.286 2.321 -2.592 762 HH21 ARG 96 1HH2 ARG 96 -15.463 1.973 -4.653 763 HH22 ARG 96 2HH2 ARG 96 -17.142 1.591 -4.453 764 H GLU 97 H GLU 97 -11.448 5.174 0.867 765 HA GLU 97 HA GLU 97 -12.023 7.957 1.248 766 HB2 GLU 97 2HB GLU 97 -11.315 5.788 3.263 767 HB3 GLU 97 3HB GLU 97 -11.820 7.409 3.706 768 HG2 GLU 97 2HG GLU 97 -13.473 5.315 2.268 769 HG3 GLU 97 3HG GLU 97 -13.708 5.914 3.905 770 H PHE 98 H PHE 98 -9.126 6.009 1.267 771 HA PHE 98 HA PHE 98 -7.321 7.944 2.314 772 HB2 PHE 98 2HB PHE 98 -6.661 5.555 2.060 773 HB3 PHE 98 3HB PHE 98 -6.736 5.706 0.307 774 HD1 PHE 98 HD1 PHE 98 -4.865 6.709 3.348 775 HD2 PHE 98 HD2 PHE 98 -4.910 6.797 -0.931 776 HE1 PHE 98 HE1 PHE 98 -2.551 7.531 3.328 777 HE2 PHE 98 HE2 PHE 98 -2.586 7.614 -0.932 778 HZ PHE 98 HZ PHE 98 -1.419 7.983 1.197 779 H LEU 99 H LEU 99 -8.225 7.078 -1.031 780 HA LEU 99 HA LEU 99 -6.703 9.058 -2.380 781 HB2 LEU 99 2HB LEU 99 -9.196 7.545 -3.266 782 HB3 LEU 99 3HB LEU 99 -8.152 8.459 -4.345 783 HG LEU 99 HG LEU 99 -7.244 6.026 -2.752 784 HD11 LEU 99 1HD1 LEU 99 -8.936 5.329 -4.370 785 HD12 LEU 99 2HD1 LEU 99 -7.346 4.740 -4.844 786 HD13 LEU 99 3HD1 LEU 99 -8.053 6.125 -5.676 787 HD21 LEU 99 3HD2 LEU 99 -5.261 6.045 -4.213 788 HD22 LEU 99 1HD2 LEU 99 -5.400 7.545 -3.297 789 HD23 LEU 99 2HD2 LEU 99 -5.848 7.511 -5.003 790 H LYS 100 H LYS 100 -9.799 9.091 -0.861 791 HA LYS 100 HA LYS 100 -10.928 11.448 -2.036 792 HB2 LYS 100 2HB LYS 100 -12.289 9.639 -1.024 793 HB3 LYS 100 3HB LYS 100 -11.572 9.957 0.549 794 HG2 LYS 100 2HG LYS 100 -12.652 12.179 0.593 795 HG3 LYS 100 3HG LYS 100 -13.368 11.863 -0.992 796 HD2 LYS 100 2HD LYS 100 -14.612 9.945 -0.058 797 HD3 LYS 100 3HD LYS 100 -13.868 10.218 1.518 798 HE2 LYS 100 2HE LYS 100 -14.978 12.435 1.636 799 HE3 LYS 100 3HE LYS 100 -15.756 12.111 0.081 800 HZ1 LYS 100 3HZ LYS 100 -17.169 11.610 2.017 801 HZ2 LYS 100 1HZ LYS 100 -16.076 10.417 2.503 802 HZ3 LYS 100 2HZ LYS 100 -16.909 10.254 1.038 803 H THR 101 H THR 101 -9.212 10.734 1.033 804 HA THR 101 HA THR 101 -9.190 13.519 1.878 805 HB THR 101 HB THR 101 -9.336 11.603 3.526 806 HG1 THR 101 HG1 THR 101 -7.101 13.313 4.005 807 HG21 THR 101 3HG2 THR 101 -6.366 11.251 2.942 808 HG22 THR 101 1HG2 THR 101 -7.629 10.078 2.585 809 HG23 THR 101 2HG2 THR 101 -7.251 10.486 4.263 810 H ALA 102 H ALA 102 -7.145 11.438 0.032 811 HA ALA 102 HA ALA 102 -4.660 12.841 0.346 812 HB1 ALA 102 3HB ALA 102 -4.699 10.495 -0.379 813 HB2 ALA 102 1HB ALA 102 -3.921 11.504 -1.598 814 HB3 ALA 102 2HB ALA 102 -5.577 10.941 -1.843 815 H GLY 103 H GLY 103 -7.289 12.790 -2.043 816 HA2 GLY 103 2HA GLY 103 -6.343 15.042 -3.575 817 HA3 GLY 103 3HA GLY 103 -7.946 14.310 -3.645 818 H SER 104 H SER 104 -6.331 17.085 -2.759 819 HA SER 104 HA SER 104 -7.502 17.880 -0.334 820 HB2 SER 104 2HB SER 104 -6.567 19.658 -2.626 821 HB3 SER 104 3HB SER 104 -6.755 20.137 -0.934 822 HG SER 104 HG SER 104 -5.046 18.877 -0.380 823 H LEU 105 H LEU 105 -9.677 17.837 -0.063 824 HA LEU 105 HA LEU 105 -11.645 18.264 -2.035 825 HB2 LEU 105 2HB LEU 105 -11.920 17.009 0.131 826 HB3 LEU 105 3HB LEU 105 -11.884 18.526 0.996 827 HG LEU 105 HG LEU 105 -14.177 17.422 0.676 828 HD11 LEU 105 1HD1 LEU 105 -13.994 19.757 1.390 829 HD12 LEU 105 2HD1 LEU 105 -15.392 19.509 0.351 830 HD13 LEU 105 3HD1 LEU 105 -13.945 20.285 -0.296 831 HD21 LEU 105 3HD2 LEU 105 -13.916 16.727 -1.664 832 HD22 LEU 105 1HD2 LEU 105 -13.874 18.417 -2.176 833 HD23 LEU 105 2HD2 LEU 105 -15.341 17.741 -1.463 834 H GLU 106 H GLU 106 -11.921 20.093 -3.114 835 HA GLU 106 HA GLU 106 -10.724 22.549 -2.453 836 HB2 GLU 106 2HB GLU 106 -10.968 21.931 -4.759 837 HB3 GLU 106 3HB GLU 106 -12.708 21.721 -4.600 838 HG2 GLU 106 2HG GLU 106 -12.129 23.746 -5.872 839 HG3 GLU 106 3HG GLU 106 -13.035 24.110 -4.408 840 H HIS 107 H HIS 107 -14.236 21.892 -2.831 841 HA HIS 107 HA HIS 107 -14.803 23.891 -0.727 842 HB2 HIS 107 2HB HIS 107 -16.132 23.652 -3.456 843 HB3 HIS 107 3HB HIS 107 -16.882 24.511 -2.116 844 HD1 HIS 107 HD1 HIS 107 -14.986 25.209 -5.009 845 HD2 HIS 107 HD2 HIS 107 -14.862 26.593 -1.091 846 HE1 HIS 107 HE1 HIS 107 -13.804 27.421 -5.113 847 HE2 HIS 107 HE2 HIS 107 -13.907 28.316 -2.770 848 H HIS 108 H HIS 108 -16.280 23.273 0.732 849 HA HIS 108 HA HIS 108 -16.921 20.511 0.948 850 HB2 HIS 108 2HB HIS 108 -17.642 22.916 2.662 851 HB3 HIS 108 3HB HIS 108 -18.142 21.277 3.068 852 HD1 HIS 108 HD1 HIS 108 -15.317 23.598 3.431 853 HD2 HIS 108 HD2 HIS 108 -15.879 19.482 3.569 854 HE1 HIS 108 HE1 HIS 108 -13.276 22.675 4.567 855 HE2 HIS 108 HE2 HIS 108 -13.798 20.241 4.902 856 H HIS 109 H HIS 109 -18.242 19.863 -0.642 857 HA HIS 109 HA HIS 109 -21.062 20.781 -0.575 858 HB2 HIS 109 2HB HIS 109 -19.475 19.587 -2.894 859 HB3 HIS 109 3HB HIS 109 -21.204 19.920 -2.933 860 HD1 HIS 109 HD1 HIS 109 -18.279 21.318 -4.230 861 HD2 HIS 109 HD2 HIS 109 -21.501 22.935 -2.151 862 HE1 HIS 109 HE1 HIS 109 -18.269 23.776 -4.772 863 HE2 HIS 109 HE2 HIS 109 -20.148 24.744 -3.416 864 H HIS 110 H HIS 110 -22.625 19.086 -0.913 865 HA HIS 110 HA HIS 110 -21.739 16.303 -0.634 866 HB2 HIS 110 2HB HIS 110 -22.315 16.882 1.652 867 HB3 HIS 110 3HB HIS 110 -23.803 17.679 1.144 868 HD1 HIS 110 HD1 HIS 110 -25.865 16.231 0.868 869 HD2 HIS 110 HD2 HIS 110 -22.423 13.974 1.495 870 HE1 HIS 110 HE1 HIS 110 -26.653 13.866 1.144 871 HE2 HIS 110 HE2 HIS 110 -24.570 12.517 1.504 872 H HIS 111 H HIS 111 -22.282 15.826 -2.705 873 HA HIS 111 HA HIS 111 -24.898 16.205 -3.823 874 HB2 HIS 111 2HB HIS 111 -22.913 15.802 -5.253 875 HB3 HIS 111 3HB HIS 111 -22.703 14.210 -4.537 876 HD1 HIS 111 HD1 HIS 111 -25.028 16.107 -6.841 877 HD2 HIS 111 HD2 HIS 111 -24.240 12.185 -5.689 878 HE1 HIS 111 HE1 HIS 111 -26.396 14.658 -8.374 879 HE2 HIS 111 HE2 HIS 111 -25.870 12.297 -7.696 880 H HIS 112 H HIS 112 -26.639 14.861 -3.674 881 HA HIS 112 HA HIS 112 -26.589 12.781 -1.599 882 HB2 HIS 112 2HB HIS 112 -28.310 14.622 -1.493 883 HB3 HIS 112 3HB HIS 112 -29.001 14.047 -3.011 884 HD1 HIS 112 HD1 HIS 112 -30.826 12.330 -2.762 885 HD2 HIS 112 HD2 HIS 112 -28.431 12.555 0.630 886 HE1 HIS 112 HE1 HIS 112 -31.917 10.843 -1.065 887 HE2 HIS 112 HE2 HIS 112 -30.492 11.037 0.993 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.075 17.144 0.491 2 H2 MET 1 2H MET 1 1.567 17.095 0.897 3 H3 MET 1 3H MET 1 0.448 16.190 1.780 4 HA MET 1 HA MET 1 -0.023 14.794 -0.035 5 HB2 MET 1 2HB MET 1 1.273 15.028 -2.188 6 HB3 MET 1 3HB MET 1 0.118 16.316 -1.884 7 HG2 MET 1 2HG MET 1 2.127 17.242 -2.833 8 HG3 MET 1 3HG MET 1 1.982 17.787 -1.163 9 HE1 MET 1 3HE MET 1 4.564 18.586 -1.359 10 HE2 MET 1 1HE MET 1 4.730 17.917 -2.984 11 HE3 MET 1 2HE MET 1 5.892 17.487 -1.731 12 H GLY 2 H GLY 2 1.757 13.242 -1.170 13 HA2 GLY 2 2HA GLY 2 3.593 11.880 -0.940 14 HA3 GLY 2 3HA GLY 2 4.296 13.042 0.178 15 H LYS 3 H LYS 3 1.263 11.158 0.261 16 HA LYS 3 HA LYS 3 2.198 9.707 2.658 17 HB2 LYS 3 2HB LYS 3 0.652 11.583 3.340 18 HB3 LYS 3 3HB LYS 3 -0.612 10.865 2.346 19 HG2 LYS 3 2HG LYS 3 -0.555 8.820 3.746 20 HG3 LYS 3 3HG LYS 3 0.710 9.542 4.745 21 HD2 LYS 3 2HD LYS 3 -0.861 11.317 5.461 22 HD3 LYS 3 3HD LYS 3 -2.117 10.631 4.426 23 HE2 LYS 3 2HE LYS 3 -2.135 8.575 5.761 24 HE3 LYS 3 3HE LYS 3 -0.814 9.184 6.760 25 HZ1 LYS 3 3HZ LYS 3 -2.262 10.967 7.517 26 HZ2 LYS 3 1HZ LYS 3 -2.944 9.456 7.849 27 HZ3 LYS 3 2HZ LYS 3 -3.524 10.379 6.562 28 H VAL 4 H VAL 4 1.360 7.596 2.889 29 HA VAL 4 HA VAL 4 -0.074 6.452 0.572 30 HB VAL 4 HB VAL 4 2.343 6.159 0.184 31 HG11 VAL 4 1HG1 VAL 4 2.423 4.589 2.770 32 HG12 VAL 4 2HG1 VAL 4 3.152 6.173 2.491 33 HG13 VAL 4 3HG1 VAL 4 3.751 4.763 1.618 34 HG21 VAL 4 3HG2 VAL 4 0.830 4.434 -0.671 35 HG22 VAL 4 1HG2 VAL 4 0.979 3.529 0.836 36 HG23 VAL 4 2HG2 VAL 4 2.382 3.731 -0.218 37 H LEU 5 H LEU 5 -1.336 4.667 0.999 38 HA LEU 5 HA LEU 5 -1.725 3.831 3.803 39 HB2 LEU 5 2HB LEU 5 -3.730 4.602 2.532 40 HB3 LEU 5 3HB LEU 5 -3.456 3.341 1.340 41 HG LEU 5 HG LEU 5 -3.842 1.614 3.136 42 HD11 LEU 5 1HD1 LEU 5 -3.230 2.914 5.101 43 HD12 LEU 5 2HD1 LEU 5 -4.860 2.265 5.268 44 HD13 LEU 5 3HD1 LEU 5 -4.628 3.970 4.870 45 HD21 LEU 5 3HD2 LEU 5 -5.666 2.244 1.624 46 HD22 LEU 5 1HD2 LEU 5 -6.154 3.538 2.723 47 HD23 LEU 5 2HD2 LEU 5 -6.282 1.849 3.226 48 H LEU 6 H LEU 6 -0.400 2.197 4.256 49 HA LEU 6 HA LEU 6 0.479 0.205 2.334 50 HB2 LEU 6 2HB LEU 6 2.014 1.257 4.034 51 HB3 LEU 6 3HB LEU 6 1.071 0.519 5.316 52 HG LEU 6 HG LEU 6 1.746 -1.750 4.434 53 HD11 LEU 6 1HD1 LEU 6 2.202 -1.180 2.118 54 HD12 LEU 6 2HD1 LEU 6 3.614 -1.924 2.861 55 HD13 LEU 6 3HD1 LEU 6 3.574 -0.179 2.605 56 HD21 LEU 6 3HD2 LEU 6 2.939 -0.756 6.329 57 HD22 LEU 6 1HD2 LEU 6 4.040 0.078 5.228 58 HD23 LEU 6 2HD2 LEU 6 4.047 -1.685 5.321 59 H VAL 7 H VAL 7 -1.412 -0.928 1.873 60 HA VAL 7 HA VAL 7 -3.077 -2.199 3.866 61 HB VAL 7 HB VAL 7 -2.943 -2.535 0.822 62 HG11 VAL 7 1HG1 VAL 7 -3.843 -4.601 1.795 63 HG12 VAL 7 2HG1 VAL 7 -5.125 -3.707 0.975 64 HG13 VAL 7 3HG1 VAL 7 -5.016 -3.675 2.736 65 HG21 VAL 7 3HG2 VAL 7 -5.022 -1.201 0.793 66 HG22 VAL 7 1HG2 VAL 7 -3.696 -0.299 1.531 67 HG23 VAL 7 2HG2 VAL 7 -4.946 -1.025 2.547 68 H ILE 8 H ILE 8 -2.464 -3.959 4.914 69 HA ILE 8 HA ILE 8 -0.519 -5.857 3.784 70 HB ILE 8 HB ILE 8 -0.790 -5.066 6.727 71 HG12 ILE 8 2HG1 ILE 8 1.310 -4.320 4.644 72 HG13 ILE 8 3HG1 ILE 8 0.257 -3.230 5.527 73 HG21 ILE 8 1HG2 ILE 8 1.206 -6.950 5.399 74 HG22 ILE 8 2HG2 ILE 8 -0.121 -7.433 6.456 75 HG23 ILE 8 3HG2 ILE 8 1.215 -6.479 7.102 76 HD11 ILE 8 3HD1 ILE 8 2.539 -3.133 6.317 77 HD12 ILE 8 1HD1 ILE 8 2.504 -4.849 6.715 78 HD13 ILE 8 2HD1 ILE 8 1.459 -3.716 7.579 79 H SER 9 H SER 9 -1.272 -7.810 3.551 80 HA SER 9 HA SER 9 -2.744 -9.183 5.608 81 HB2 SER 9 2HB SER 9 -4.612 -8.175 4.261 82 HB3 SER 9 3HB SER 9 -3.976 -8.955 2.817 83 HG SER 9 HG SER 9 -5.636 -9.946 4.637 84 H THR 10 H THR 10 -2.706 -11.493 5.203 85 HA THR 10 HA THR 10 -0.599 -12.438 3.389 86 HB THR 10 HB THR 10 -2.191 -13.990 5.488 87 HG1 THR 10 HG1 THR 10 -0.578 -12.080 6.009 88 HG21 THR 10 3HG2 THR 10 -1.088 -15.467 3.812 89 HG22 THR 10 1HG2 THR 10 -0.309 -15.611 5.388 90 HG23 THR 10 2HG2 THR 10 0.454 -14.664 4.109 91 H ASP 11 H ASP 11 -4.049 -12.257 3.703 92 HA ASP 11 HA ASP 11 -4.801 -14.304 1.845 93 HB2 ASP 11 2HB ASP 11 -6.346 -11.807 2.693 94 HB3 ASP 11 3HB ASP 11 -7.021 -13.186 1.834 95 H THR 12 H THR 12 -3.291 -13.900 0.174 96 HA THR 12 HA THR 12 -3.010 -11.503 -1.281 97 HB THR 12 HB THR 12 -1.968 -13.097 -3.039 98 HG1 THR 12 HG1 THR 12 -2.698 -15.084 -2.720 99 HG21 THR 12 3HG2 THR 12 -0.914 -13.260 -0.187 100 HG22 THR 12 1HG2 THR 12 -0.574 -11.964 -1.337 101 HG23 THR 12 2HG2 THR 12 0.011 -13.598 -1.651 102 H ASN 13 H ASN 13 -5.379 -14.037 -1.452 103 HA ASN 13 HA ASN 13 -6.591 -13.475 -3.947 104 HB2 ASN 13 2HB ASN 13 -7.039 -15.535 -2.591 105 HB3 ASN 13 3HB ASN 13 -7.873 -14.557 -1.387 106 HD21 ASN 13 1HD2 ASN 13 -9.940 -13.695 -1.912 107 HD22 ASN 13 2HD2 ASN 13 -10.878 -14.321 -3.223 108 H ILE 14 H ILE 14 -7.373 -12.356 -0.620 109 HA ILE 14 HA ILE 14 -9.531 -10.640 -1.311 110 HB ILE 14 HB ILE 14 -7.760 -10.706 1.174 111 HG12 ILE 14 2HG1 ILE 14 -9.114 -12.761 0.816 112 HG13 ILE 14 3HG1 ILE 14 -9.625 -11.898 2.259 113 HG21 ILE 14 1HG2 ILE 14 -10.339 -9.142 0.811 114 HG22 ILE 14 2HG2 ILE 14 -8.726 -8.465 1.040 115 HG23 ILE 14 3HG2 ILE 14 -9.494 -9.372 2.344 116 HD11 ILE 14 3HD1 ILE 14 -11.521 -12.781 1.047 117 HD12 ILE 14 1HD1 ILE 14 -11.048 -11.905 -0.406 118 HD13 ILE 14 2HD1 ILE 14 -11.570 -11.020 1.031 119 H ILE 15 H ILE 15 -6.071 -10.057 -0.750 120 HA ILE 15 HA ILE 15 -5.921 -7.282 -0.999 121 HB ILE 15 HB ILE 15 -3.897 -9.422 -1.799 122 HG12 ILE 15 2HG1 ILE 15 -3.974 -7.656 0.686 123 HG13 ILE 15 3HG1 ILE 15 -4.531 -9.326 0.633 124 HG21 ILE 15 1HG2 ILE 15 -2.156 -7.658 -1.752 125 HG22 ILE 15 2HG2 ILE 15 -3.409 -6.437 -1.526 126 HG23 ILE 15 3HG2 ILE 15 -3.350 -7.369 -3.022 127 HD11 ILE 15 3HD1 ILE 15 -2.324 -9.170 1.587 128 HD12 ILE 15 1HD1 ILE 15 -1.714 -8.392 0.128 129 HD13 ILE 15 2HD1 ILE 15 -2.280 -10.064 0.070 130 H SER 16 H SER 16 -5.416 -9.777 -3.533 131 HA SER 16 HA SER 16 -5.018 -7.987 -5.686 132 HB2 SER 16 2HB SER 16 -4.202 -10.309 -5.717 133 HB3 SER 16 3HB SER 16 -5.859 -10.925 -5.719 134 HG SER 16 HG SER 16 -4.801 -9.214 -7.729 135 H SER 17 H SER 17 -7.934 -9.482 -4.363 136 HA SER 17 HA SER 17 -9.757 -8.859 -6.421 137 HB2 SER 17 2HB SER 17 -10.305 -10.432 -4.597 138 HB3 SER 17 3HB SER 17 -10.261 -9.116 -3.426 139 HG SER 17 HG SER 17 -12.386 -9.840 -4.398 140 H VAL 18 H VAL 18 -9.189 -7.170 -3.330 141 HA VAL 18 HA VAL 18 -10.768 -4.893 -3.786 142 HB VAL 18 HB VAL 18 -8.377 -5.342 -1.936 143 HG11 VAL 18 1HG1 VAL 18 -9.135 -3.357 -0.657 144 HG12 VAL 18 2HG1 VAL 18 -10.319 -3.005 -1.913 145 HG13 VAL 18 3HG1 VAL 18 -8.595 -2.929 -2.280 146 HG21 VAL 18 3HG2 VAL 18 -10.095 -5.625 -0.178 147 HG22 VAL 18 1HG2 VAL 18 -10.307 -6.800 -1.480 148 HG23 VAL 18 2HG2 VAL 18 -11.368 -5.392 -1.378 149 H GLN 19 H GLN 19 -7.391 -5.561 -4.467 150 HA GLN 19 HA GLN 19 -6.406 -3.010 -5.051 151 HB2 GLN 19 2HB GLN 19 -4.963 -4.949 -4.667 152 HB3 GLN 19 3HB GLN 19 -5.587 -5.748 -6.104 153 HG2 GLN 19 2HG GLN 19 -4.543 -4.020 -7.517 154 HG3 GLN 19 3HG GLN 19 -3.928 -3.212 -6.075 155 HE21 GLN 19 1HE2 GLN 19 -3.171 -5.643 -4.647 156 HE22 GLN 19 2HE2 GLN 19 -1.801 -6.292 -5.473 157 H GLU 20 H GLU 20 -7.731 -5.513 -7.208 158 HA GLU 20 HA GLU 20 -7.507 -3.911 -9.567 159 HB2 GLU 20 2HB GLU 20 -9.013 -6.507 -9.053 160 HB3 GLU 20 3HB GLU 20 -8.833 -5.763 -10.638 161 HG2 GLU 20 2HG GLU 20 -6.641 -6.915 -8.894 162 HG3 GLU 20 3HG GLU 20 -7.203 -7.520 -10.452 163 H ARG 21 H ARG 21 -10.060 -4.410 -7.182 164 HA ARG 21 HA ARG 21 -12.172 -3.127 -8.640 165 HB2 ARG 21 2HB ARG 21 -11.805 -3.576 -5.645 166 HB3 ARG 21 3HB ARG 21 -13.285 -2.952 -6.371 167 HG2 ARG 21 2HG ARG 21 -13.597 -5.054 -7.603 168 HG3 ARG 21 3HG ARG 21 -12.079 -5.676 -6.959 169 HD2 ARG 21 2HD ARG 21 -13.056 -5.524 -4.652 170 HD3 ARG 21 3HD ARG 21 -14.589 -5.024 -5.378 171 HE ARG 21 HE ARG 21 -13.587 -7.517 -6.422 172 HH11 ARG 21 1HH1 ARG 21 -15.453 -6.117 -3.781 173 HH12 ARG 21 2HH1 ARG 21 -16.308 -7.589 -3.442 174 HH21 ARG 21 1HH2 ARG 21 -14.712 -9.447 -5.959 175 HH22 ARG 21 2HH2 ARG 21 -15.886 -9.470 -4.679 176 H ALA 22 H ALA 22 -9.588 -2.026 -6.559 177 HA ALA 22 HA ALA 22 -10.484 0.690 -6.219 178 HB1 ALA 22 3HB ALA 22 -9.032 -0.405 -4.566 179 HB2 ALA 22 1HB ALA 22 -8.254 1.039 -5.218 180 HB3 ALA 22 2HB ALA 22 -7.749 -0.564 -5.767 181 H LYS 23 H LYS 23 -8.270 -1.023 -8.388 182 HA LYS 23 HA LYS 23 -7.332 1.295 -9.824 183 HB2 LYS 23 2HB LYS 23 -7.191 -1.692 -10.432 184 HB3 LYS 23 3HB LYS 23 -6.425 -0.458 -11.431 185 HG2 LYS 23 2HG LYS 23 -4.896 0.153 -9.679 186 HG3 LYS 23 3HG LYS 23 -5.788 -0.798 -8.486 187 HD2 LYS 23 2HD LYS 23 -3.689 -1.923 -9.199 188 HD3 LYS 23 3HD LYS 23 -5.123 -2.881 -9.565 189 HE2 LYS 23 2HE LYS 23 -4.996 -2.118 -11.933 190 HE3 LYS 23 3HE LYS 23 -3.533 -1.209 -11.544 191 HZ1 LYS 23 3HZ LYS 23 -3.081 -3.394 -12.543 192 HZ2 LYS 23 1HZ LYS 23 -3.822 -4.151 -11.221 193 HZ3 LYS 23 2HZ LYS 23 -2.411 -3.240 -11.001 194 H HIS 24 H HIS 24 -9.997 -0.948 -10.126 195 HA HIS 24 HA HIS 24 -10.799 -0.314 -12.793 196 HB2 HIS 24 2HB HIS 24 -11.498 -2.410 -11.665 197 HB3 HIS 24 3HB HIS 24 -12.403 -1.486 -10.473 198 HD1 HIS 24 HD1 HIS 24 -12.442 -2.341 -14.171 199 HD2 HIS 24 HD2 HIS 24 -15.013 -0.952 -11.210 200 HE1 HIS 24 HE1 HIS 24 -14.736 -2.371 -15.197 201 HE2 HIS 24 HE2 HIS 24 -16.247 -1.418 -13.425 202 H ASN 25 H ASN 25 -11.977 0.642 -9.578 203 HA ASN 25 HA ASN 25 -13.914 2.528 -10.533 204 HB2 ASN 25 2HB ASN 25 -14.191 1.304 -8.394 205 HB3 ASN 25 3HB ASN 25 -12.785 2.125 -7.719 206 HD21 ASN 25 1HD2 ASN 25 -13.000 4.305 -7.114 207 HD22 ASN 25 2HD2 ASN 25 -14.532 5.082 -6.967 208 H TYR 26 H TYR 26 -10.571 2.756 -9.412 209 HA TYR 26 HA TYR 26 -10.514 5.628 -10.173 210 HB2 TYR 26 2HB TYR 26 -8.699 4.223 -8.151 211 HB3 TYR 26 3HB TYR 26 -8.600 5.917 -8.618 212 HD1 TYR 26 HD1 TYR 26 -10.847 7.316 -8.246 213 HD2 TYR 26 HD2 TYR 26 -9.909 3.696 -6.162 214 HE1 TYR 26 HE1 TYR 26 -12.431 7.923 -6.466 215 HE2 TYR 26 HE2 TYR 26 -11.498 4.312 -4.381 216 HH TYR 26 HH TYR 26 -13.795 6.767 -4.766 217 HA PRO 27 HA PRO 27 -7.759 3.427 -13.238 218 HB2 PRO 27 2HB PRO 27 -8.723 4.603 -15.495 219 HB3 PRO 27 3HB PRO 27 -9.561 3.231 -14.738 220 HG2 PRO 27 2HG PRO 27 -10.180 6.164 -14.497 221 HG3 PRO 27 3HG PRO 27 -11.290 4.807 -14.803 222 HD2 PRO 27 2HD PRO 27 -10.954 5.888 -12.318 223 HD3 PRO 27 3HD PRO 27 -11.347 4.172 -12.567 224 H GLY 28 H GLY 28 -8.584 6.725 -12.496 225 HA2 GLY 28 2HA GLY 28 -6.170 7.860 -13.740 226 HA3 GLY 28 3HA GLY 28 -7.543 8.746 -13.087 227 H ARG 29 H ARG 29 -5.871 6.107 -11.450 228 HA ARG 29 HA ARG 29 -4.462 7.977 -9.660 229 HB2 ARG 29 2HB ARG 29 -6.635 7.339 -8.538 230 HB3 ARG 29 3HB ARG 29 -6.169 5.646 -8.651 231 HG2 ARG 29 2HG ARG 29 -5.705 6.383 -6.412 232 HG3 ARG 29 3HG ARG 29 -4.156 6.167 -7.229 233 HD2 ARG 29 2HD ARG 29 -4.107 8.204 -5.902 234 HD3 ARG 29 3HD ARG 29 -4.061 8.634 -7.615 235 HE ARG 29 HE ARG 29 -6.616 8.661 -6.132 236 HH11 ARG 29 1HH1 ARG 29 -4.183 10.491 -7.926 237 HH12 ARG 29 2HH1 ARG 29 -5.184 11.906 -8.038 238 HH21 ARG 29 1HH2 ARG 29 -7.901 10.512 -6.325 239 HH22 ARG 29 2HH2 ARG 29 -7.281 11.919 -7.135 240 H GLU 30 H GLU 30 -2.418 7.319 -9.349 241 HA GLU 30 HA GLU 30 -1.388 4.796 -10.232 242 HB2 GLU 30 2HB GLU 30 -0.176 7.044 -8.557 243 HB3 GLU 30 3HB GLU 30 0.709 5.575 -8.943 244 HG2 GLU 30 2HG GLU 30 1.423 7.262 -10.472 245 HG3 GLU 30 3HG GLU 30 0.447 6.112 -11.374 246 H ILE 31 H ILE 31 -1.546 2.929 -9.141 247 HA ILE 31 HA ILE 31 -1.663 2.896 -6.175 248 HB ILE 31 HB ILE 31 -3.277 1.123 -8.085 249 HG12 ILE 31 2HG1 ILE 31 -4.195 3.171 -6.007 250 HG13 ILE 31 3HG1 ILE 31 -4.270 3.375 -7.749 251 HG21 ILE 31 1HG2 ILE 31 -3.093 0.957 -5.052 252 HG22 ILE 31 2HG2 ILE 31 -2.433 -0.215 -6.194 253 HG23 ILE 31 3HG2 ILE 31 -4.180 0.003 -6.070 254 HD11 ILE 31 3HD1 ILE 31 -6.441 2.881 -6.862 255 HD12 ILE 31 1HD1 ILE 31 -5.851 1.395 -6.118 256 HD13 ILE 31 2HD1 ILE 31 -5.901 1.546 -7.877 257 H ARG 32 H ARG 32 -0.235 1.488 -5.256 258 HA ARG 32 HA ARG 32 1.625 0.087 -7.069 259 HB2 ARG 32 2HB ARG 32 1.979 1.476 -4.395 260 HB3 ARG 32 3HB ARG 32 3.131 0.243 -4.888 261 HG2 ARG 32 2HG ARG 32 2.507 2.775 -6.449 262 HG3 ARG 32 3HG ARG 32 3.930 2.502 -5.438 263 HD2 ARG 32 2HD ARG 32 4.515 0.540 -6.913 264 HD3 ARG 32 3HD ARG 32 3.187 1.009 -7.971 265 HE ARG 32 HE ARG 32 4.390 3.127 -8.359 266 HH11 ARG 32 1HH1 ARG 32 6.234 0.352 -7.220 267 HH12 ARG 32 2HH1 ARG 32 7.731 0.914 -7.889 268 HH21 ARG 32 1HH2 ARG 32 6.385 3.815 -9.279 269 HH22 ARG 32 2HH2 ARG 32 7.810 2.851 -9.039 270 H THR 33 H THR 33 2.314 -1.936 -6.669 271 HA THR 33 HA THR 33 1.042 -3.563 -4.543 272 HB THR 33 HB THR 33 2.223 -4.616 -7.170 273 HG1 THR 33 HG1 THR 33 -0.505 -4.001 -6.640 274 HG21 THR 33 3HG2 THR 33 0.227 -5.839 -5.223 275 HG22 THR 33 1HG2 THR 33 1.923 -6.311 -5.391 276 HG23 THR 33 2HG2 THR 33 0.794 -6.585 -6.721 277 H ALA 34 H ALA 34 2.515 -5.105 -3.516 278 HA ALA 34 HA ALA 34 5.387 -4.808 -4.066 279 HB1 ALA 34 3HB ALA 34 4.925 -3.223 -2.269 280 HB2 ALA 34 1HB ALA 34 5.891 -4.568 -1.665 281 HB3 ALA 34 2HB ALA 34 4.162 -4.492 -1.314 282 H THR 35 H THR 35 5.815 -6.773 -4.709 283 HA THR 35 HA THR 35 4.894 -9.188 -3.300 284 HB THR 35 HB THR 35 6.459 -8.774 -5.897 285 HG1 THR 35 HG1 THR 35 4.169 -8.264 -5.881 286 HG21 THR 35 3HG2 THR 35 7.110 -10.952 -4.855 287 HG22 THR 35 1HG2 THR 35 6.192 -11.176 -6.348 288 HG23 THR 35 2HG2 THR 35 5.407 -11.410 -4.787 289 H SER 36 H SER 36 7.734 -7.215 -3.902 290 HA SER 36 HA SER 36 9.409 -8.785 -2.073 291 HB2 SER 36 2HB SER 36 9.748 -9.693 -4.406 292 HB3 SER 36 3HB SER 36 10.269 -8.089 -4.927 293 HG SER 36 HG SER 36 11.499 -9.657 -2.887 294 H SER 37 H SER 37 11.662 -7.632 -1.983 295 HA SER 37 HA SER 37 11.352 -5.128 -0.789 296 HB2 SER 37 2HB SER 37 13.943 -6.378 -1.809 297 HB3 SER 37 3HB SER 37 13.787 -5.147 -0.551 298 HG SER 37 HG SER 37 12.517 -6.707 0.623 299 H GLN 38 H GLN 38 12.410 -6.033 -4.036 300 HA GLN 38 HA GLN 38 13.453 -3.710 -5.078 301 HB2 GLN 38 2HB GLN 38 13.401 -5.857 -6.310 302 HB3 GLN 38 3HB GLN 38 11.655 -5.741 -6.476 303 HG2 GLN 38 2HG GLN 38 12.756 -5.169 -8.584 304 HG3 GLN 38 3HG GLN 38 11.923 -3.756 -7.936 305 HE21 GLN 38 1HE2 GLN 38 13.165 -1.975 -7.235 306 HE22 GLN 38 2HE2 GLN 38 14.854 -1.834 -7.582 307 H ASP 39 H ASP 39 10.034 -4.680 -4.940 308 HA ASP 39 HA ASP 39 8.862 -2.383 -6.058 309 HB2 ASP 39 2HB ASP 39 7.706 -4.252 -3.932 310 HB3 ASP 39 3HB ASP 39 6.771 -3.122 -4.911 311 H ILE 40 H ILE 40 9.217 -3.311 -2.634 312 HA ILE 40 HA ILE 40 8.126 -1.234 -1.257 313 HB ILE 40 HB ILE 40 10.590 -2.913 -0.623 314 HG12 ILE 40 2HG1 ILE 40 8.437 -4.152 -0.823 315 HG13 ILE 40 3HG1 ILE 40 9.092 -4.241 0.805 316 HG21 ILE 40 1HG2 ILE 40 10.373 -2.274 1.766 317 HG22 ILE 40 2HG2 ILE 40 9.180 -1.055 1.319 318 HG23 ILE 40 3HG2 ILE 40 10.839 -0.918 0.736 319 HD11 ILE 40 3HD1 ILE 40 6.688 -3.971 0.834 320 HD12 ILE 40 1HD1 ILE 40 6.809 -2.476 -0.091 321 HD13 ILE 40 2HD1 ILE 40 7.465 -2.558 1.547 322 H ARG 41 H ARG 41 11.501 -1.355 -2.405 323 HA ARG 41 HA ARG 41 12.291 1.152 -1.248 324 HB2 ARG 41 2HB ARG 41 13.729 -0.382 -3.456 325 HB3 ARG 41 3HB ARG 41 14.436 0.759 -2.319 326 HG2 ARG 41 2HG ARG 41 13.317 -1.969 -1.627 327 HG3 ARG 41 3HG ARG 41 15.022 -1.579 -1.786 328 HD2 ARG 41 2HD ARG 41 13.194 -0.294 0.268 329 HD3 ARG 41 3HD ARG 41 14.154 -1.742 0.578 330 HE ARG 41 HE ARG 41 15.314 0.885 -0.153 331 HH11 ARG 41 1HH1 ARG 41 15.457 -2.094 1.735 332 HH12 ARG 41 2HH1 ARG 41 16.947 -1.659 2.517 333 HH21 ARG 41 1HH2 ARG 41 17.257 1.430 0.881 334 HH22 ARG 41 2HH2 ARG 41 17.959 0.336 2.027 335 H ASP 42 H ASP 42 11.384 0.016 -4.506 336 HA ASP 42 HA ASP 42 11.925 2.400 -5.952 337 HB2 ASP 42 2HB ASP 42 11.693 0.134 -7.000 338 HB3 ASP 42 3HB ASP 42 9.973 0.154 -6.645 339 H ILE 43 H ILE 43 9.146 1.356 -4.082 340 HA ILE 43 HA ILE 43 7.186 3.134 -5.184 341 HB ILE 43 HB ILE 43 7.284 1.614 -2.533 342 HG12 ILE 43 2HG1 ILE 43 5.602 1.053 -5.020 343 HG13 ILE 43 3HG1 ILE 43 7.137 0.269 -4.692 344 HG21 ILE 43 1HG2 ILE 43 4.925 3.145 -3.695 345 HG22 ILE 43 2HG2 ILE 43 5.839 3.591 -2.251 346 HG23 ILE 43 3HG2 ILE 43 4.886 2.112 -2.267 347 HD11 ILE 43 3HD1 ILE 43 6.193 -0.723 -2.664 348 HD12 ILE 43 1HD1 ILE 43 5.295 -1.171 -4.113 349 HD13 ILE 43 2HD1 ILE 43 4.641 0.044 -3.014 350 H ILE 44 H ILE 44 9.161 3.210 -2.205 351 HA ILE 44 HA ILE 44 8.282 5.728 -1.224 352 HB ILE 44 HB ILE 44 10.862 4.187 -0.674 353 HG12 ILE 44 2HG1 ILE 44 8.253 4.247 0.924 354 HG13 ILE 44 3HG1 ILE 44 8.698 2.963 -0.195 355 HG21 ILE 44 1HG2 ILE 44 9.629 6.442 0.959 356 HG22 ILE 44 2HG2 ILE 44 11.120 6.542 0.022 357 HG23 ILE 44 3HG2 ILE 44 11.035 5.484 1.430 358 HD11 ILE 44 3HD1 ILE 44 10.633 2.436 1.201 359 HD12 ILE 44 1HD1 ILE 44 9.106 2.298 2.069 360 HD13 ILE 44 2HD1 ILE 44 10.146 3.696 2.339 361 H LYS 45 H LYS 45 10.952 4.725 -3.307 362 HA LYS 45 HA LYS 45 12.209 7.153 -3.856 363 HB2 LYS 45 2HB LYS 45 12.983 4.874 -4.569 364 HB3 LYS 45 3HB LYS 45 11.694 4.803 -5.748 365 HG2 LYS 45 2HG LYS 45 13.874 6.912 -5.855 366 HG3 LYS 45 3HG LYS 45 14.068 5.327 -6.593 367 HD2 LYS 45 2HD LYS 45 11.930 7.368 -7.321 368 HD3 LYS 45 3HD LYS 45 13.399 7.049 -8.240 369 HE2 LYS 45 2HE LYS 45 11.228 4.987 -7.724 370 HE3 LYS 45 3HE LYS 45 11.366 5.954 -9.192 371 HZ1 LYS 45 3HZ LYS 45 13.519 4.965 -9.608 372 HZ2 LYS 45 1HZ LYS 45 12.340 3.763 -9.463 373 HZ3 LYS 45 2HZ LYS 45 13.412 4.051 -8.191 374 H SER 46 H SER 46 9.306 5.675 -5.344 375 HA SER 46 HA SER 46 8.840 7.748 -7.260 376 HB2 SER 46 2HB SER 46 7.000 5.545 -6.242 377 HB3 SER 46 3HB SER 46 6.658 6.578 -7.635 378 HG SER 46 HG SER 46 8.305 4.399 -7.425 379 H MET 47 H MET 47 7.883 7.308 -3.916 380 HA MET 47 HA MET 47 5.756 9.244 -3.862 381 HB2 MET 47 2HB MET 47 7.447 8.085 -1.609 382 HB3 MET 47 3HB MET 47 6.067 9.146 -1.366 383 HG2 MET 47 2HG MET 47 4.702 7.378 -2.652 384 HG3 MET 47 3HG MET 47 6.086 6.315 -2.388 385 HE1 MET 47 3HE MET 47 4.842 9.149 0.044 386 HE2 MET 47 1HE MET 47 3.659 8.261 1.007 387 HE3 MET 47 2HE MET 47 3.357 8.548 -0.706 388 H LYS 48 H LYS 48 9.246 9.326 -3.321 389 HA LYS 48 HA LYS 48 9.323 12.135 -2.632 390 HB2 LYS 48 2HB LYS 48 11.587 10.325 -3.550 391 HB3 LYS 48 3HB LYS 48 11.751 11.913 -2.809 392 HG2 LYS 48 2HG LYS 48 10.528 10.879 -0.762 393 HG3 LYS 48 3HG LYS 48 10.884 9.321 -1.517 394 HD2 LYS 48 2HD LYS 48 12.653 9.813 0.071 395 HD3 LYS 48 3HD LYS 48 13.325 9.959 -1.554 396 HE2 LYS 48 2HE LYS 48 13.008 12.433 -1.421 397 HE3 LYS 48 3HE LYS 48 12.423 12.246 0.232 398 HZ1 LYS 48 3HZ LYS 48 14.568 11.383 0.873 399 HZ2 LYS 48 1HZ LYS 48 14.764 12.890 0.138 400 HZ3 LYS 48 2HZ LYS 48 15.137 11.476 -0.712 401 H ASP 49 H ASP 49 9.686 10.194 -5.537 402 HA ASP 49 HA ASP 49 10.711 12.047 -7.375 403 HB2 ASP 49 2HB ASP 49 10.624 9.686 -7.923 404 HB3 ASP 49 3HB ASP 49 8.882 9.631 -7.721 405 H ASN 50 H ASN 50 7.361 11.276 -6.510 406 HA ASN 50 HA ASN 50 6.619 14.070 -6.901 407 HB2 ASN 50 2HB ASN 50 6.004 12.848 -9.066 408 HB3 ASN 50 3HB ASN 50 4.894 11.854 -8.121 409 HD21 ASN 50 1HD2 ASN 50 3.128 12.998 -7.000 410 HD22 ASN 50 2HD2 ASN 50 2.512 14.466 -7.656 411 H GLY 51 H GLY 51 5.769 14.618 -4.992 412 HA2 GLY 51 2HA GLY 51 4.761 12.843 -3.022 413 HA3 GLY 51 3HA GLY 51 4.610 14.595 -3.023 414 H LYS 52 H LYS 52 2.927 11.691 -3.326 415 HA LYS 52 HA LYS 52 0.414 13.022 -4.050 416 HB2 LYS 52 2HB LYS 52 -0.079 11.416 -5.866 417 HB3 LYS 52 3HB LYS 52 1.384 12.325 -6.229 418 HG2 LYS 52 2HG LYS 52 2.773 10.401 -5.550 419 HG3 LYS 52 3HG LYS 52 1.318 9.499 -5.121 420 HD2 LYS 52 2HD LYS 52 2.071 8.727 -7.286 421 HD3 LYS 52 3HD LYS 52 0.579 9.638 -7.523 422 HE2 LYS 52 2HE LYS 52 1.875 11.585 -8.273 423 HE3 LYS 52 3HE LYS 52 3.382 10.718 -7.973 424 HZ1 LYS 52 3HZ LYS 52 2.866 10.610 -10.289 425 HZ2 LYS 52 1HZ LYS 52 1.311 10.022 -9.981 426 HZ3 LYS 52 2HZ LYS 52 2.661 9.067 -9.631 427 HA PRO 53 HA PRO 53 -1.237 9.761 -1.297 428 HB2 PRO 53 2HB PRO 53 -3.837 9.558 -2.152 429 HB3 PRO 53 3HB PRO 53 -3.245 10.962 -1.236 430 HG2 PRO 53 2HG PRO 53 -3.650 10.693 -4.201 431 HG3 PRO 53 3HG PRO 53 -4.079 12.041 -3.125 432 HD2 PRO 53 2HD PRO 53 -1.829 12.073 -4.670 433 HD3 PRO 53 3HD PRO 53 -1.919 12.895 -3.096 434 H LEU 54 H LEU 54 -0.237 7.856 -1.725 435 HA LEU 54 HA LEU 54 -1.180 6.165 -3.981 436 HB2 LEU 54 2HB LEU 54 1.395 6.076 -2.350 437 HB3 LEU 54 3HB LEU 54 0.918 4.780 -3.435 438 HG LEU 54 HG LEU 54 1.567 7.642 -4.253 439 HD11 LEU 54 1HD1 LEU 54 3.515 6.689 -5.385 440 HD12 LEU 54 2HD1 LEU 54 3.104 5.077 -4.793 441 HD13 LEU 54 3HD1 LEU 54 3.567 6.345 -3.658 442 HD21 LEU 54 3HD2 LEU 54 -0.185 6.773 -5.684 443 HD22 LEU 54 1HD2 LEU 54 0.723 5.285 -5.970 444 HD23 LEU 54 2HD2 LEU 54 1.330 6.831 -6.578 445 H VAL 55 H VAL 55 -1.488 3.886 -3.526 446 HA VAL 55 HA VAL 55 -1.776 3.088 -0.693 447 HB VAL 55 HB VAL 55 -3.739 2.324 -2.930 448 HG11 VAL 55 1HG1 VAL 55 -3.737 1.490 -0.001 449 HG12 VAL 55 2HG1 VAL 55 -3.352 0.449 -1.375 450 HG13 VAL 55 3HG1 VAL 55 -4.981 1.094 -1.189 451 HG21 VAL 55 3HG2 VAL 55 -4.164 4.614 -2.116 452 HG22 VAL 55 1HG2 VAL 55 -4.223 4.029 -0.451 453 HG23 VAL 55 2HG2 VAL 55 -5.458 3.527 -1.608 454 H VAL 56 H VAL 56 -0.228 1.588 -0.391 455 HA VAL 56 HA VAL 56 0.671 -0.166 -2.576 456 HB VAL 56 HB VAL 56 1.814 0.229 0.232 457 HG11 VAL 56 1HG1 VAL 56 2.945 -1.424 -2.067 458 HG12 VAL 56 2HG1 VAL 56 2.290 -2.061 -0.556 459 HG13 VAL 56 3HG1 VAL 56 3.766 -1.093 -0.538 460 HG21 VAL 56 3HG2 VAL 56 2.909 1.134 -2.445 461 HG22 VAL 56 1HG2 VAL 56 3.637 1.413 -0.863 462 HG23 VAL 56 2HG2 VAL 56 2.100 2.174 -1.275 463 H PHE 57 H PHE 57 -0.592 -1.931 -2.793 464 HA PHE 57 HA PHE 57 -1.482 -3.511 -0.510 465 HB2 PHE 57 2HB PHE 57 -1.584 -3.981 -3.524 466 HB3 PHE 57 3HB PHE 57 -2.243 -5.090 -2.334 467 HD1 PHE 57 HD1 PHE 57 -2.639 -1.715 -3.841 468 HD2 PHE 57 HD2 PHE 57 -4.382 -4.690 -1.304 469 HE1 PHE 57 HE1 PHE 57 -4.788 -0.516 -3.895 470 HE2 PHE 57 HE2 PHE 57 -6.519 -3.477 -1.366 471 HZ PHE 57 HZ PHE 57 -6.723 -1.396 -2.660 472 H VAL 58 H VAL 58 0.268 -4.429 0.569 473 HA VAL 58 HA VAL 58 2.409 -5.720 -0.935 474 HB VAL 58 HB VAL 58 3.397 -6.382 1.209 475 HG11 VAL 58 1HG1 VAL 58 2.575 -3.461 1.199 476 HG12 VAL 58 2HG1 VAL 58 3.973 -4.168 0.398 477 HG13 VAL 58 3HG1 VAL 58 3.899 -4.136 2.154 478 HG21 VAL 58 3HG2 VAL 58 1.417 -6.819 2.575 479 HG22 VAL 58 1HG2 VAL 58 1.031 -5.099 2.604 480 HG23 VAL 58 2HG2 VAL 58 2.497 -5.691 3.395 481 H ASN 59 H ASN 59 1.785 -7.475 -2.023 482 HA ASN 59 HA ASN 59 -0.359 -9.200 -1.217 483 HB2 ASN 59 2HB ASN 59 1.682 -9.438 -3.468 484 HB3 ASN 59 3HB ASN 59 0.459 -10.668 -3.171 485 HD21 ASN 59 1HD2 ASN 59 -0.650 -10.425 -5.051 486 HD22 ASN 59 2HD2 ASN 59 -1.519 -9.001 -5.491 487 H GLY 60 H GLY 60 0.269 -9.840 0.874 488 HA2 GLY 60 2HA GLY 60 1.133 -11.231 2.461 489 HA3 GLY 60 3HA GLY 60 1.393 -12.375 1.152 490 H ALA 61 H ALA 61 2.921 -9.198 1.436 491 HA ALA 61 HA ALA 61 5.538 -10.278 1.016 492 HB1 ALA 61 3HB ALA 61 4.885 -8.036 0.177 493 HB2 ALA 61 1HB ALA 61 6.332 -7.965 1.189 494 HB3 ALA 61 2HB ALA 61 4.771 -7.454 1.837 495 H SER 62 H SER 62 7.292 -10.291 2.460 496 HA SER 62 HA SER 62 6.631 -11.231 5.074 497 HB2 SER 62 2HB SER 62 9.373 -10.615 3.891 498 HB3 SER 62 3HB SER 62 9.043 -11.646 5.286 499 HG SER 62 HG SER 62 7.984 -12.133 2.695 500 H GLN 63 H GLN 63 7.537 -10.388 7.099 501 HA GLN 63 HA GLN 63 6.913 -7.648 7.464 502 HB2 GLN 63 2HB GLN 63 6.634 -9.418 9.225 503 HB3 GLN 63 3HB GLN 63 8.382 -9.464 9.423 504 HG2 GLN 63 2HG GLN 63 8.381 -7.134 10.204 505 HG3 GLN 63 3HG GLN 63 6.646 -7.017 9.907 506 HE21 GLN 63 1HE2 GLN 63 5.210 -8.084 11.315 507 HE22 GLN 63 2HE2 GLN 63 5.702 -8.625 12.884 508 H ASN 64 H ASN 64 9.913 -9.308 6.776 509 HA ASN 64 HA ASN 64 11.860 -7.382 7.351 510 HB2 ASN 64 2HB ASN 64 11.744 -9.251 4.936 511 HB3 ASN 64 3HB ASN 64 13.187 -8.414 5.497 512 HD21 ASN 64 1HD2 ASN 64 12.821 -11.219 5.127 513 HD22 ASN 64 2HD2 ASN 64 13.092 -11.967 6.657 514 H ASP 65 H ASP 65 9.838 -7.774 4.453 515 HA ASP 65 HA ASP 65 10.801 -5.583 2.927 516 HB2 ASP 65 2HB ASP 65 8.082 -6.975 2.833 517 HB3 ASP 65 3HB ASP 65 8.715 -5.909 1.579 518 H VAL 66 H VAL 66 8.080 -5.975 5.144 519 HA VAL 66 HA VAL 66 6.954 -3.390 4.982 520 HB VAL 66 HB VAL 66 6.918 -5.344 7.339 521 HG11 VAL 66 1HG1 VAL 66 5.042 -3.011 6.780 522 HG12 VAL 66 2HG1 VAL 66 6.248 -3.081 8.066 523 HG13 VAL 66 3HG1 VAL 66 4.871 -4.182 8.093 524 HG21 VAL 66 3HG2 VAL 66 6.042 -6.366 5.277 525 HG22 VAL 66 1HG2 VAL 66 4.925 -5.016 5.062 526 HG23 VAL 66 2HG2 VAL 66 4.737 -6.107 6.438 527 H ASN 67 H ASN 67 9.605 -4.737 6.906 528 HA ASN 67 HA ASN 67 10.008 -2.547 8.674 529 HB2 ASN 67 2HB ASN 67 11.876 -4.805 7.816 530 HB3 ASN 67 3HB ASN 67 12.380 -3.555 8.951 531 HD21 ASN 67 1HD2 ASN 67 12.050 -6.458 9.317 532 HD22 ASN 67 2HD2 ASN 67 10.976 -6.634 10.656 533 H GLU 68 H GLU 68 11.529 -3.444 5.570 534 HA GLU 68 HA GLU 68 13.256 -1.243 5.268 535 HB2 GLU 68 2HB GLU 68 11.817 -2.888 3.140 536 HB3 GLU 68 3HB GLU 68 13.112 -1.740 2.794 537 HG2 GLU 68 2HG GLU 68 14.710 -3.065 4.022 538 HG3 GLU 68 3HG GLU 68 13.446 -4.148 4.600 539 H PHE 69 H PHE 69 9.822 -1.651 4.491 540 HA PHE 69 HA PHE 69 9.446 0.730 3.032 541 HB2 PHE 69 2HB PHE 69 7.844 -1.256 3.127 542 HB3 PHE 69 3HB PHE 69 7.315 -0.680 4.704 543 HD1 PHE 69 HD1 PHE 69 5.949 1.394 4.887 544 HD2 PHE 69 HD2 PHE 69 7.235 -0.068 1.071 545 HE1 PHE 69 HE1 PHE 69 4.346 2.887 3.768 546 HE2 PHE 69 HE2 PHE 69 5.623 1.427 -0.036 547 HZ PHE 69 HZ PHE 69 4.183 2.902 1.309 548 H GLN 70 H GLN 70 9.083 -0.016 6.481 549 HA GLN 70 HA GLN 70 8.039 2.514 7.270 550 HB2 GLN 70 2HB GLN 70 9.334 0.295 8.912 551 HB3 GLN 70 3HB GLN 70 8.486 1.677 9.602 552 HG2 GLN 70 2HG GLN 70 6.385 0.966 8.638 553 HG3 GLN 70 3HG GLN 70 7.182 -0.300 7.708 554 HE21 GLN 70 1HE2 GLN 70 7.967 -2.158 8.836 555 HE22 GLN 70 2HE2 GLN 70 7.311 -2.598 10.367 556 H ASN 71 H ASN 71 11.317 1.070 7.507 557 HA ASN 71 HA ASN 71 12.567 3.253 8.809 558 HB2 ASN 71 2HB ASN 71 13.656 0.862 7.291 559 HB3 ASN 71 3HB ASN 71 14.750 2.140 7.800 560 HD21 ASN 71 1HD2 ASN 71 12.832 -0.543 8.861 561 HD22 ASN 71 2HD2 ASN 71 13.374 -0.548 10.495 562 H GLU 72 H GLU 72 12.502 2.345 5.323 563 HA GLU 72 HA GLU 72 14.148 4.503 4.479 564 HB2 GLU 72 2HB GLU 72 12.170 2.868 2.847 565 HB3 GLU 72 3HB GLU 72 13.289 4.037 2.158 566 HG2 GLU 72 2HG GLU 72 13.969 1.441 3.552 567 HG3 GLU 72 3HG GLU 72 14.187 1.834 1.847 568 H ALA 73 H ALA 73 10.607 4.169 4.745 569 HA ALA 73 HA ALA 73 9.930 6.635 3.543 570 HB1 ALA 73 3HB ALA 73 8.277 4.866 3.954 571 HB2 ALA 73 1HB ALA 73 7.756 6.402 4.652 572 HB3 ALA 73 2HB ALA 73 8.409 5.132 5.693 573 H LYS 74 H LYS 74 10.547 5.823 6.997 574 HA LYS 74 HA LYS 74 9.811 8.432 7.926 575 HB2 LYS 74 2HB LYS 74 10.449 7.720 10.137 576 HB3 LYS 74 3HB LYS 74 9.600 6.404 9.339 577 HG2 LYS 74 2HG LYS 74 11.783 5.287 8.896 578 HG3 LYS 74 3HG LYS 74 12.599 6.598 9.749 579 HD2 LYS 74 2HD LYS 74 12.329 4.637 11.221 580 HD3 LYS 74 3HD LYS 74 11.397 6.004 11.836 581 HE2 LYS 74 2HE LYS 74 9.343 5.028 10.824 582 HE3 LYS 74 3HE LYS 74 10.294 3.653 10.256 583 HZ1 LYS 74 3HZ LYS 74 9.834 4.419 13.085 584 HZ2 LYS 74 1HZ LYS 74 10.824 3.148 12.576 585 HZ3 LYS 74 2HZ LYS 74 9.164 3.101 12.276 586 H LYS 75 H LYS 75 12.939 6.995 7.031 587 HA LYS 75 HA LYS 75 14.544 9.084 8.199 588 HB2 LYS 75 2HB LYS 75 16.453 8.096 7.061 589 HB3 LYS 75 3HB LYS 75 15.472 6.819 7.767 590 HG2 LYS 75 2HG LYS 75 14.524 6.309 5.539 591 HG3 LYS 75 3HG LYS 75 15.490 7.606 4.835 592 HD2 LYS 75 2HD LYS 75 16.488 5.359 4.454 593 HD3 LYS 75 3HD LYS 75 17.559 6.424 5.365 594 HE2 LYS 75 2HE LYS 75 16.953 5.280 7.453 595 HE3 LYS 75 3HE LYS 75 15.801 4.260 6.581 596 HZ1 LYS 75 3HZ LYS 75 18.726 4.318 6.052 597 HZ2 LYS 75 1HZ LYS 75 17.590 3.268 5.364 598 HZ3 LYS 75 2HZ LYS 75 17.944 3.170 7.013 599 H GLU 76 H GLU 76 12.861 8.708 5.193 600 HA GLU 76 HA GLU 76 14.177 11.003 3.916 601 HB2 GLU 76 2HB GLU 76 12.032 9.095 2.898 602 HB3 GLU 76 3HB GLU 76 12.816 10.343 1.938 603 HG2 GLU 76 2HG GLU 76 14.167 7.912 3.150 604 HG3 GLU 76 3HG GLU 76 13.740 8.118 1.456 605 H GLY 77 H GLY 77 11.740 10.599 6.114 606 HA2 GLY 77 2HA GLY 77 10.266 12.130 7.006 607 HA3 GLY 77 3HA GLY 77 10.659 13.246 5.710 608 H VAL 78 H VAL 78 9.798 10.248 4.472 609 HA VAL 78 HA VAL 78 7.388 11.131 3.252 610 HB VAL 78 HB VAL 78 8.591 8.330 3.485 611 HG11 VAL 78 1HG1 VAL 78 6.400 9.258 1.600 612 HG12 VAL 78 2HG1 VAL 78 6.195 8.164 2.968 613 HG13 VAL 78 3HG1 VAL 78 7.174 7.670 1.588 614 HG21 VAL 78 3HG2 VAL 78 10.081 9.901 2.316 615 HG22 VAL 78 1HG2 VAL 78 8.782 10.325 1.197 616 HG23 VAL 78 2HG2 VAL 78 9.448 8.690 1.200 617 H SER 79 H SER 79 5.400 11.147 4.092 618 HA SER 79 HA SER 79 4.695 9.942 6.608 619 HB2 SER 79 2HB SER 79 3.021 11.386 4.497 620 HB3 SER 79 3HB SER 79 2.422 10.887 6.082 621 HG SER 79 HG SER 79 3.986 12.223 7.030 622 H TYR 80 H TYR 80 3.772 7.987 6.912 623 HA TYR 80 HA TYR 80 2.355 6.611 4.742 624 HB2 TYR 80 2HB TYR 80 3.554 4.514 5.037 625 HB3 TYR 80 3HB TYR 80 4.732 5.765 4.686 626 HD1 TYR 80 HD2 TYR 80 6.181 6.669 6.617 627 HD2 TYR 80 HD1 TYR 80 3.716 3.196 7.044 628 HE1 TYR 80 HE2 TYR 80 7.479 5.984 8.598 629 HE2 TYR 80 HE1 TYR 80 5.011 2.526 9.014 630 HH TYR 80 HH TYR 80 7.064 4.560 10.662 631 H ASP 81 H ASP 81 0.885 5.030 5.502 632 HA ASP 81 HA ASP 81 0.370 4.914 8.424 633 HB2 ASP 81 2HB ASP 81 -1.281 6.455 7.341 634 HB3 ASP 81 3HB ASP 81 -1.753 5.173 6.230 635 H VAL 82 H VAL 82 -0.306 2.849 9.134 636 HA VAL 82 HA VAL 82 0.104 0.670 7.154 637 HB VAL 82 HB VAL 82 0.753 0.626 10.146 638 HG11 VAL 82 1HG1 VAL 82 1.868 -1.531 9.661 639 HG12 VAL 82 2HG1 VAL 82 1.312 -1.445 7.989 640 HG13 VAL 82 3HG1 VAL 82 0.139 -1.606 9.301 641 HG21 VAL 82 3HG2 VAL 82 2.651 0.805 7.769 642 HG22 VAL 82 1HG2 VAL 82 3.133 0.633 9.460 643 HG23 VAL 82 2HG2 VAL 82 2.312 2.099 8.919 644 H LEU 83 H LEU 83 -1.500 -0.735 6.895 645 HA LEU 83 HA LEU 83 -3.792 -0.862 8.771 646 HB2 LEU 83 2HB LEU 83 -4.429 0.589 6.914 647 HB3 LEU 83 3HB LEU 83 -3.812 -0.557 5.737 648 HG LEU 83 HG LEU 83 -5.657 -2.166 6.475 649 HD11 LEU 83 1HD1 LEU 83 -6.180 -1.238 8.668 650 HD12 LEU 83 2HD1 LEU 83 -7.613 -1.275 7.645 651 HD13 LEU 83 3HD1 LEU 83 -6.769 0.251 7.924 652 HD21 LEU 83 3HD2 LEU 83 -7.396 -1.063 5.145 653 HD22 LEU 83 1HD2 LEU 83 -5.807 -0.889 4.401 654 HD23 LEU 83 2HD2 LEU 83 -6.531 0.472 5.263 655 H LYS 84 H LYS 84 -3.498 -2.909 9.568 656 HA LYS 84 HA LYS 84 -3.131 -5.226 7.775 657 HB2 LYS 84 2HB LYS 84 -3.129 -4.852 10.789 658 HB3 LYS 84 3HB LYS 84 -3.410 -6.451 10.120 659 HG2 LYS 84 2HG LYS 84 -1.112 -6.258 10.766 660 HG3 LYS 84 3HG LYS 84 -1.196 -6.353 9.006 661 HD2 LYS 84 2HD LYS 84 -0.669 -4.033 8.759 662 HD3 LYS 84 3HD LYS 84 -0.963 -3.701 10.468 663 HE2 LYS 84 2HE LYS 84 1.276 -5.508 9.493 664 HE3 LYS 84 3HE LYS 84 1.476 -3.781 9.781 665 HZ1 LYS 84 3HZ LYS 84 0.848 -4.122 12.080 666 HZ2 LYS 84 1HZ LYS 84 2.181 -5.079 11.676 667 HZ3 LYS 84 2HZ LYS 84 0.649 -5.781 11.813 668 H SER 85 H SER 85 -4.918 -6.360 7.010 669 HA SER 85 HA SER 85 -7.254 -6.806 8.650 670 HB2 SER 85 2HB SER 85 -7.811 -4.529 7.831 671 HB3 SER 85 3HB SER 85 -7.618 -5.073 6.169 672 HG SER 85 HG SER 85 -9.830 -4.992 7.188 673 H THR 86 H THR 86 -8.837 -8.192 7.639 674 HA THR 86 HA THR 86 -7.881 -9.817 5.340 675 HB THR 86 HB THR 86 -9.161 -11.721 6.384 676 HG1 THR 86 HG1 THR 86 -10.633 -10.964 7.748 677 HG21 THR 86 3HG2 THR 86 -7.633 -12.200 8.269 678 HG22 THR 86 1HG2 THR 86 -7.101 -10.518 8.274 679 HG23 THR 86 2HG2 THR 86 -6.742 -11.554 6.890 680 H ASP 87 H ASP 87 -10.194 -7.612 6.422 681 HA ASP 87 HA ASP 87 -12.602 -8.735 5.258 682 HB2 ASP 87 2HB ASP 87 -12.036 -5.997 6.490 683 HB3 ASP 87 3HB ASP 87 -13.630 -6.554 5.993 684 HA PRO 88 HA PRO 88 -11.491 -6.922 1.181 685 HB2 PRO 88 2HB PRO 88 -13.753 -7.824 -0.170 686 HB3 PRO 88 3HB PRO 88 -12.319 -8.829 0.135 687 HG2 PRO 88 2HG PRO 88 -14.893 -8.728 1.668 688 HG3 PRO 88 3HG PRO 88 -13.942 -10.142 1.159 689 HD2 PRO 88 2HD PRO 88 -13.811 -9.217 3.687 690 HD3 PRO 88 3HD PRO 88 -12.374 -9.882 2.877 691 H GLU 89 H GLU 89 -14.739 -6.644 2.658 692 HA GLU 89 HA GLU 89 -15.654 -4.405 1.223 693 HB2 GLU 89 2HB GLU 89 -17.337 -4.136 2.996 694 HB3 GLU 89 3HB GLU 89 -17.174 -5.826 2.543 695 HG2 GLU 89 2HG GLU 89 -15.901 -6.301 4.561 696 HG3 GLU 89 3HG GLU 89 -15.892 -4.594 5.001 697 H GLU 90 H GLU 90 -13.809 -4.649 4.258 698 HA GLU 90 HA GLU 90 -13.830 -1.893 4.912 699 HB2 GLU 90 2HB GLU 90 -13.359 -3.534 6.663 700 HB3 GLU 90 3HB GLU 90 -11.907 -4.076 5.817 701 HG2 GLU 90 2HG GLU 90 -10.850 -1.900 6.149 702 HG3 GLU 90 3HG GLU 90 -12.315 -1.253 6.867 703 H LEU 91 H LEU 91 -11.324 -3.997 3.445 704 HA LEU 91 HA LEU 91 -9.339 -2.086 3.093 705 HB2 LEU 91 2HB LEU 91 -9.953 -4.563 1.434 706 HB3 LEU 91 3HB LEU 91 -8.497 -3.603 1.222 707 HG LEU 91 HG LEU 91 -9.256 -5.146 3.735 708 HD11 LEU 91 1HD1 LEU 91 -8.545 -6.603 1.887 709 HD12 LEU 91 2HD1 LEU 91 -7.362 -6.598 3.191 710 HD13 LEU 91 3HD1 LEU 91 -7.048 -5.679 1.716 711 HD21 LEU 91 3HD2 LEU 91 -6.806 -3.440 3.177 712 HD22 LEU 91 1HD2 LEU 91 -6.985 -4.533 4.550 713 HD23 LEU 91 2HD2 LEU 91 -8.055 -3.146 4.387 714 H THR 92 H THR 92 -12.056 -2.873 0.908 715 HA THR 92 HA THR 92 -11.233 -1.202 -1.238 716 HB THR 92 HB THR 92 -14.082 -2.118 -0.637 717 HG1 THR 92 HG1 THR 92 -12.314 -3.776 -0.886 718 HG21 THR 92 3HG2 THR 92 -13.969 -0.342 -2.376 719 HG22 THR 92 1HG2 THR 92 -14.420 -1.898 -3.085 720 HG23 THR 92 2HG2 THR 92 -12.774 -1.291 -3.263 721 H GLN 93 H GLN 93 -13.445 -0.636 1.568 722 HA GLN 93 HA GLN 93 -13.996 2.059 0.720 723 HB2 GLN 93 2HB GLN 93 -15.249 2.375 2.785 724 HB3 GLN 93 3HB GLN 93 -15.709 0.894 1.974 725 HG2 GLN 93 2HG GLN 93 -15.755 0.400 4.267 726 HG3 GLN 93 3HG GLN 93 -14.286 -0.351 3.663 727 HE21 GLN 93 1HE2 GLN 93 -14.596 3.101 4.391 728 HE22 GLN 93 2HE2 GLN 93 -13.515 3.081 5.736 729 H ARG 94 H ARG 94 -11.410 0.638 2.518 730 HA ARG 94 HA ARG 94 -10.562 3.032 3.884 731 HB2 ARG 94 2HB ARG 94 -9.075 0.447 3.233 732 HB3 ARG 94 3HB ARG 94 -8.366 1.763 4.164 733 HG2 ARG 94 2HG ARG 94 -10.816 0.165 4.954 734 HG3 ARG 94 3HG ARG 94 -9.192 -0.049 5.603 735 HD2 ARG 94 2HD ARG 94 -9.275 2.252 6.518 736 HD3 ARG 94 3HD ARG 94 -10.921 2.430 5.898 737 HE ARG 94 HE ARG 94 -11.456 0.443 7.374 738 HH11 ARG 94 1HH1 ARG 94 -8.958 2.770 8.233 739 HH12 ARG 94 2HH1 ARG 94 -9.112 2.478 9.939 740 HH21 ARG 94 1HH2 ARG 94 -11.607 0.031 9.599 741 HH22 ARG 94 2HH2 ARG 94 -10.615 0.926 10.705 742 H VAL 95 H VAL 95 -9.742 1.432 0.823 743 HA VAL 95 HA VAL 95 -7.633 3.163 0.044 744 HB VAL 95 HB VAL 95 -9.479 1.445 -1.691 745 HG11 VAL 95 1HG1 VAL 95 -8.443 3.160 -3.099 746 HG12 VAL 95 2HG1 VAL 95 -7.701 1.597 -3.436 747 HG13 VAL 95 3HG1 VAL 95 -6.848 2.781 -2.446 748 HG21 VAL 95 3HG2 VAL 95 -6.686 0.859 -0.644 749 HG22 VAL 95 1HG2 VAL 95 -7.641 -0.191 -1.694 750 HG23 VAL 95 2HG2 VAL 95 -8.178 0.139 -0.049 751 H ARG 96 H ARG 96 -11.167 3.187 -0.631 752 HA ARG 96 HA ARG 96 -11.070 5.435 -2.375 753 HB2 ARG 96 2HB ARG 96 -13.464 5.442 -2.377 754 HB3 ARG 96 3HB ARG 96 -12.944 3.765 -2.356 755 HG2 ARG 96 2HG ARG 96 -13.448 3.651 0.058 756 HG3 ARG 96 3HG ARG 96 -14.000 5.325 0.018 757 HD2 ARG 96 2HD ARG 96 -15.914 3.825 -0.049 758 HD3 ARG 96 3HD ARG 96 -15.785 4.673 -1.590 759 HE ARG 96 HE ARG 96 -15.042 1.841 -1.104 760 HH11 ARG 96 1HH1 ARG 96 -16.027 4.364 -3.366 761 HH12 ARG 96 2HH1 ARG 96 -16.220 3.256 -4.690 762 HH21 ARG 96 1HH2 ARG 96 -15.353 0.416 -2.826 763 HH22 ARG 96 2HH2 ARG 96 -15.837 1.020 -4.380 764 H GLU 97 H GLU 97 -11.657 5.124 1.128 765 HA GLU 97 HA GLU 97 -12.267 7.886 1.566 766 HB2 GLU 97 2HB GLU 97 -11.552 5.604 3.439 767 HB3 GLU 97 3HB GLU 97 -11.793 7.241 4.036 768 HG2 GLU 97 2HG GLU 97 -13.852 5.567 2.572 769 HG3 GLU 97 3HG GLU 97 -13.817 5.890 4.305 770 H PHE 98 H PHE 98 -9.268 6.024 1.523 771 HA PHE 98 HA PHE 98 -7.630 8.042 2.734 772 HB2 PHE 98 2HB PHE 98 -6.903 5.656 2.676 773 HB3 PHE 98 3HB PHE 98 -6.769 5.731 0.919 774 HD1 PHE 98 HD1 PHE 98 -5.359 7.048 4.106 775 HD2 PHE 98 HD2 PHE 98 -4.795 6.708 -0.129 776 HE1 PHE 98 HE1 PHE 98 -3.080 7.938 4.325 777 HE2 PHE 98 HE2 PHE 98 -2.515 7.598 0.111 778 HZ PHE 98 HZ PHE 98 -1.666 8.214 2.334 779 H LEU 99 H LEU 99 -8.092 6.978 -0.654 780 HA LEU 99 HA LEU 99 -6.492 8.958 -1.875 781 HB2 LEU 99 2HB LEU 99 -8.824 7.370 -3.014 782 HB3 LEU 99 3HB LEU 99 -7.719 8.335 -3.984 783 HG LEU 99 HG LEU 99 -6.966 5.866 -2.365 784 HD11 LEU 99 1HD1 LEU 99 -6.600 4.778 -4.538 785 HD12 LEU 99 2HD1 LEU 99 -7.190 6.220 -5.370 786 HD13 LEU 99 3HD1 LEU 99 -8.277 5.287 -4.339 787 HD21 LEU 99 3HD2 LEU 99 -5.093 7.420 -2.388 788 HD22 LEU 99 1HD2 LEU 99 -5.219 7.608 -4.139 789 HD23 LEU 99 2HD2 LEU 99 -4.742 6.056 -3.445 790 H LYS 100 H LYS 100 -9.772 9.029 -0.698 791 HA LYS 100 HA LYS 100 -10.570 11.474 -1.944 792 HB2 LYS 100 2HB LYS 100 -12.219 9.855 -1.151 793 HB3 LYS 100 3HB LYS 100 -11.643 10.019 0.504 794 HG2 LYS 100 2HG LYS 100 -12.495 12.255 0.670 795 HG3 LYS 100 3HG LYS 100 -12.836 12.319 -1.061 796 HD2 LYS 100 2HD LYS 100 -14.616 10.661 -0.826 797 HD3 LYS 100 3HD LYS 100 -14.221 10.426 0.881 798 HE2 LYS 100 2HE LYS 100 -15.180 13.058 -0.301 799 HE3 LYS 100 3HE LYS 100 -16.220 11.883 0.505 800 HZ1 LYS 100 3HZ LYS 100 -15.533 13.644 2.005 801 HZ2 LYS 100 1HZ LYS 100 -13.906 13.266 1.753 802 HZ3 LYS 100 2HZ LYS 100 -14.924 12.154 2.519 803 H THR 101 H THR 101 -9.365 10.713 1.384 804 HA THR 101 HA THR 101 -9.581 13.490 2.193 805 HB THR 101 HB THR 101 -10.117 11.669 3.799 806 HG1 THR 101 HG1 THR 101 -9.676 13.485 4.869 807 HG21 THR 101 3HG2 THR 101 -8.364 10.397 4.949 808 HG22 THR 101 1HG2 THR 101 -7.126 11.121 3.918 809 HG23 THR 101 2HG2 THR 101 -8.332 10.037 3.223 810 H ALA 102 H ALA 102 -6.833 11.249 1.666 811 HA ALA 102 HA ALA 102 -4.799 13.257 2.052 812 HB1 ALA 102 3HB ALA 102 -4.346 10.877 2.511 813 HB2 ALA 102 1HB ALA 102 -3.233 11.505 1.292 814 HB3 ALA 102 2HB ALA 102 -4.592 10.483 0.808 815 H GLY 103 H GLY 103 -6.798 12.221 -0.572 816 HA2 GLY 103 2HA GLY 103 -5.267 13.749 -2.590 817 HA3 GLY 103 3HA GLY 103 -6.567 12.609 -2.904 818 H SER 104 H SER 104 -6.777 15.085 -0.405 819 HA SER 104 HA SER 104 -9.032 16.386 -1.710 820 HB2 SER 104 2HB SER 104 -7.655 16.899 0.956 821 HB3 SER 104 3HB SER 104 -9.088 17.764 0.398 822 HG SER 104 HG SER 104 -9.650 15.225 0.134 823 H LEU 105 H LEU 105 -5.977 16.632 -2.498 824 HA LEU 105 HA LEU 105 -5.443 19.454 -2.485 825 HB2 LEU 105 2HB LEU 105 -3.813 17.355 -2.713 826 HB3 LEU 105 3HB LEU 105 -4.157 17.501 -4.424 827 HG LEU 105 HG LEU 105 -2.869 19.652 -2.687 828 HD11 LEU 105 1HD1 LEU 105 -0.792 19.150 -3.886 829 HD12 LEU 105 2HD1 LEU 105 -1.589 17.831 -4.745 830 HD13 LEU 105 3HD1 LEU 105 -1.379 17.748 -2.993 831 HD21 LEU 105 3HD2 LEU 105 -3.288 19.655 -5.693 832 HD22 LEU 105 1HD2 LEU 105 -2.373 20.854 -4.770 833 HD23 LEU 105 2HD2 LEU 105 -4.109 20.689 -4.521 834 H GLU 106 H GLU 106 -7.287 20.407 -3.330 835 HA GLU 106 HA GLU 106 -8.467 19.677 -5.863 836 HB2 GLU 106 2HB GLU 106 -8.953 22.104 -4.078 837 HB3 GLU 106 3HB GLU 106 -9.913 21.690 -5.494 838 HG2 GLU 106 2HG GLU 106 -10.588 19.565 -4.390 839 HG3 GLU 106 3HG GLU 106 -9.667 20.040 -2.963 840 H HIS 107 H HIS 107 -6.827 19.876 -7.375 841 HA HIS 107 HA HIS 107 -6.132 22.656 -8.171 842 HB2 HIS 107 2HB HIS 107 -4.011 21.887 -9.066 843 HB3 HIS 107 3HB HIS 107 -4.125 21.311 -7.406 844 HD1 HIS 107 HD1 HIS 107 -3.947 20.147 -10.935 845 HD2 HIS 107 HD2 HIS 107 -4.350 18.460 -7.157 846 HE1 HIS 107 HE1 HIS 107 -3.573 17.689 -11.255 847 HE2 HIS 107 HE2 HIS 107 -3.586 16.746 -8.924 848 H HIS 108 H HIS 108 -8.406 20.752 -8.783 849 HA HIS 108 HA HIS 108 -8.131 19.963 -11.542 850 HB2 HIS 108 2HB HIS 108 -9.529 18.667 -9.974 851 HB3 HIS 108 3HB HIS 108 -10.566 20.057 -9.696 852 HD1 HIS 108 HD1 HIS 108 -12.323 20.600 -11.492 853 HD2 HIS 108 HD2 HIS 108 -10.025 17.258 -12.398 854 HE1 HIS 108 HE1 HIS 108 -13.544 19.426 -13.338 855 HE2 HIS 108 HE2 HIS 108 -12.111 17.449 -13.915 856 H HIS 109 H HIS 109 -7.512 21.954 -12.479 857 HA HIS 109 HA HIS 109 -9.724 23.776 -13.135 858 HB2 HIS 109 2HB HIS 109 -8.126 25.747 -12.970 859 HB3 HIS 109 3HB HIS 109 -8.584 25.032 -11.433 860 HD1 HIS 109 HD1 HIS 109 -6.714 24.455 -9.880 861 HD2 HIS 109 HD2 HIS 109 -5.366 25.022 -13.759 862 HE1 HIS 109 HE1 HIS 109 -4.209 24.391 -9.742 863 HE2 HIS 109 HE2 HIS 109 -3.435 24.518 -12.128 864 H HIS 110 H HIS 110 -9.880 24.176 -15.238 865 HA HIS 110 HA HIS 110 -7.648 23.689 -17.103 866 HB2 HIS 110 2HB HIS 110 -10.409 22.395 -17.442 867 HB3 HIS 110 3HB HIS 110 -9.045 22.246 -18.551 868 HD1 HIS 110 HD1 HIS 110 -10.606 20.639 -15.678 869 HD2 HIS 110 HD2 HIS 110 -6.800 20.733 -17.331 870 HE1 HIS 110 HE1 HIS 110 -9.379 18.717 -14.644 871 HE2 HIS 110 HE2 HIS 110 -7.060 18.849 -15.592 872 H HIS 111 H HIS 111 -8.084 24.620 -19.274 873 HA HIS 111 HA HIS 111 -10.282 26.503 -19.566 874 HB2 HIS 111 2HB HIS 111 -8.764 28.512 -19.822 875 HB3 HIS 111 3HB HIS 111 -8.835 27.886 -18.180 876 HD1 HIS 111 HD1 HIS 111 -6.491 28.378 -21.056 877 HD2 HIS 111 HD2 HIS 111 -6.422 26.730 -17.243 878 HE1 HIS 111 HE1 HIS 111 -4.069 27.952 -20.546 879 HE2 HIS 111 HE2 HIS 111 -4.048 27.146 -18.169 880 H HIS 112 H HIS 112 -10.412 24.747 -21.251 881 HA HIS 112 HA HIS 112 -9.596 25.809 -23.799 882 HB2 HIS 112 2HB HIS 112 -8.371 23.772 -24.606 883 HB3 HIS 112 3HB HIS 112 -7.513 24.618 -23.328 884 HD1 HIS 112 HD1 HIS 112 -8.433 21.312 -24.337 885 HD2 HIS 112 HD2 HIS 112 -7.990 23.233 -20.678 886 HE1 HIS 112 HE1 HIS 112 -8.129 19.483 -22.646 887 HE2 HIS 112 HE2 HIS 112 -7.742 20.676 -20.467 Start of MODEL 11 1 H1 MET 1 1H MET 1 3.097 17.349 -1.147 2 H2 MET 1 2H MET 1 2.442 16.029 -1.978 3 H3 MET 1 3H MET 1 4.053 15.990 -1.462 4 HA MET 1 HA MET 1 3.430 15.952 0.800 5 HB2 MET 1 2HB MET 1 1.377 17.387 0.474 6 HB3 MET 1 3HB MET 1 0.539 15.984 -0.169 7 HG2 MET 1 2HG MET 1 0.850 14.844 2.017 8 HG3 MET 1 3HG MET 1 1.611 16.304 2.642 9 HE1 MET 1 3HE MET 1 0.282 18.647 2.977 10 HE2 MET 1 1HE MET 1 -1.415 18.856 2.546 11 HE3 MET 1 2HE MET 1 -0.207 18.614 1.283 12 H GLY 2 H GLY 2 4.574 14.053 0.345 13 HA2 GLY 2 2HA GLY 2 3.401 11.809 -1.065 14 HA3 GLY 2 3HA GLY 2 4.996 11.896 -0.332 15 H LYS 3 H LYS 3 1.678 11.031 0.150 16 HA LYS 3 HA LYS 3 2.477 9.442 2.493 17 HB2 LYS 3 2HB LYS 3 0.142 9.778 3.436 18 HB3 LYS 3 3HB LYS 3 1.222 11.159 3.542 19 HG2 LYS 3 2HG LYS 3 0.056 12.324 1.792 20 HG3 LYS 3 3HG LYS 3 -0.883 10.883 1.379 21 HD2 LYS 3 2HD LYS 3 -2.211 12.524 2.692 22 HD3 LYS 3 3HD LYS 3 -2.060 10.969 3.505 23 HE2 LYS 3 2HE LYS 3 -1.822 12.753 5.125 24 HE3 LYS 3 3HE LYS 3 -0.269 11.940 4.943 25 HZ1 LYS 3 3HZ LYS 3 0.494 13.738 3.549 26 HZ2 LYS 3 1HZ LYS 3 -0.066 14.363 5.015 27 HZ3 LYS 3 2HZ LYS 3 -1.015 14.499 3.622 28 H VAL 4 H VAL 4 1.512 7.436 2.674 29 HA VAL 4 HA VAL 4 0.032 6.456 0.307 30 HB VAL 4 HB VAL 4 2.476 6.000 0.081 31 HG11 VAL 4 1HG1 VAL 4 2.204 4.213 2.501 32 HG12 VAL 4 2HG1 VAL 4 3.106 5.727 2.420 33 HG13 VAL 4 3HG1 VAL 4 3.623 4.344 1.455 34 HG21 VAL 4 3HG2 VAL 4 2.295 3.629 -0.540 35 HG22 VAL 4 1HG2 VAL 4 0.881 4.549 -1.054 36 HG23 VAL 4 2HG2 VAL 4 0.786 3.506 0.366 37 H LEU 5 H LEU 5 -1.295 4.679 0.648 38 HA LEU 5 HA LEU 5 -1.837 3.865 3.431 39 HB2 LEU 5 2HB LEU 5 -3.745 4.646 1.983 40 HB3 LEU 5 3HB LEU 5 -3.425 3.315 0.882 41 HG LEU 5 HG LEU 5 -3.937 1.702 2.747 42 HD11 LEU 5 1HD1 LEU 5 -4.735 4.182 4.293 43 HD12 LEU 5 2HD1 LEU 5 -3.433 3.051 4.682 44 HD13 LEU 5 3HD1 LEU 5 -5.111 2.521 4.761 45 HD21 LEU 5 3HD2 LEU 5 -6.186 3.629 2.067 46 HD22 LEU 5 1HD2 LEU 5 -6.377 1.980 2.671 47 HD23 LEU 5 2HD2 LEU 5 -5.653 2.258 1.089 48 H LEU 6 H LEU 6 -0.208 2.405 3.835 49 HA LEU 6 HA LEU 6 0.589 0.326 2.000 50 HB2 LEU 6 2HB LEU 6 2.159 1.321 3.652 51 HB3 LEU 6 3HB LEU 6 1.172 0.716 4.972 52 HG LEU 6 HG LEU 6 1.718 -1.633 4.256 53 HD11 LEU 6 1HD1 LEU 6 3.620 -0.329 2.297 54 HD12 LEU 6 2HD1 LEU 6 2.182 -1.275 1.900 55 HD13 LEU 6 3HD1 LEU 6 3.553 -2.051 2.688 56 HD21 LEU 6 3HD2 LEU 6 2.997 -0.583 6.065 57 HD22 LEU 6 1HD2 LEU 6 4.138 0.093 4.898 58 HD23 LEU 6 2HD2 LEU 6 4.028 -1.656 5.122 59 H VAL 7 H VAL 7 -1.283 -0.785 1.513 60 HA VAL 7 HA VAL 7 -3.019 -2.028 3.462 61 HB VAL 7 HB VAL 7 -2.852 -2.476 0.432 62 HG11 VAL 7 1HG1 VAL 7 -5.156 -3.355 0.605 63 HG12 VAL 7 2HG1 VAL 7 -5.087 -3.201 2.361 64 HG13 VAL 7 3HG1 VAL 7 -4.013 -4.328 1.531 65 HG21 VAL 7 3HG2 VAL 7 -4.754 -0.911 0.243 66 HG22 VAL 7 1HG2 VAL 7 -3.325 -0.126 0.918 67 HG23 VAL 7 2HG2 VAL 7 -4.662 -0.582 1.976 68 H ILE 8 H ILE 8 -2.108 -3.618 4.634 69 HA ILE 8 HA ILE 8 -0.572 -5.765 3.313 70 HB ILE 8 HB ILE 8 -0.673 -5.210 6.317 71 HG12 ILE 8 2HG1 ILE 8 1.432 -4.259 4.316 72 HG13 ILE 8 3HG1 ILE 8 0.301 -3.235 5.189 73 HG21 ILE 8 1HG2 ILE 8 1.342 -6.650 6.393 74 HG22 ILE 8 2HG2 ILE 8 1.258 -6.882 4.647 75 HG23 ILE 8 3HG2 ILE 8 -0.023 -7.515 5.682 76 HD11 ILE 8 3HD1 ILE 8 2.485 -3.130 6.171 77 HD12 ILE 8 1HD1 ILE 8 2.506 -4.878 6.405 78 HD13 ILE 8 2HD1 ILE 8 1.351 -3.880 7.296 79 H SER 9 H SER 9 -1.513 -7.639 3.141 80 HA SER 9 HA SER 9 -3.391 -8.668 5.130 81 HB2 SER 9 2HB SER 9 -4.891 -7.828 3.396 82 HB3 SER 9 3HB SER 9 -3.913 -8.552 2.126 83 HG SER 9 HG SER 9 -5.975 -9.614 3.236 84 H THR 10 H THR 10 -3.186 -10.880 5.382 85 HA THR 10 HA THR 10 -0.797 -12.175 4.376 86 HB THR 10 HB THR 10 -1.625 -14.101 5.836 87 HG1 THR 10 HG1 THR 10 -3.911 -13.451 5.657 88 HG21 THR 10 3HG2 THR 10 -1.260 -12.955 8.003 89 HG22 THR 10 1HG2 THR 10 -1.480 -11.387 7.220 90 HG23 THR 10 2HG2 THR 10 -0.100 -12.401 6.797 91 H ASP 11 H ASP 11 -3.944 -11.803 3.284 92 HA ASP 11 HA ASP 11 -4.096 -14.389 1.866 93 HB2 ASP 11 2HB ASP 11 -6.250 -12.370 2.624 94 HB3 ASP 11 3HB ASP 11 -6.545 -13.806 1.646 95 H THR 12 H THR 12 -3.115 -14.117 -0.028 96 HA THR 12 HA THR 12 -3.006 -11.708 -1.544 97 HB THR 12 HB THR 12 -1.952 -13.198 -3.298 98 HG1 THR 12 HG1 THR 12 -2.398 -15.257 -3.157 99 HG21 THR 12 3HG2 THR 12 -0.543 -12.155 -1.569 100 HG22 THR 12 1HG2 THR 12 0.044 -13.783 -1.934 101 HG23 THR 12 2HG2 THR 12 -0.882 -13.491 -0.462 102 H ASN 13 H ASN 13 -5.275 -14.331 -1.443 103 HA ASN 13 HA ASN 13 -6.647 -13.857 -3.887 104 HB2 ASN 13 2HB ASN 13 -7.498 -15.128 -1.254 105 HB3 ASN 13 3HB ASN 13 -8.633 -14.938 -2.586 106 HD21 ASN 13 1HD2 ASN 13 -8.354 -16.191 -4.469 107 HD22 ASN 13 2HD2 ASN 13 -7.337 -17.589 -4.494 108 H ILE 14 H ILE 14 -6.971 -12.482 -0.620 109 HA ILE 14 HA ILE 14 -9.270 -10.855 -1.217 110 HB ILE 14 HB ILE 14 -7.309 -10.655 1.119 111 HG12 ILE 14 2HG1 ILE 14 -8.413 -12.844 1.087 112 HG13 ILE 14 3HG1 ILE 14 -9.037 -11.891 2.422 113 HG21 ILE 14 1HG2 ILE 14 -9.063 -9.373 2.290 114 HG22 ILE 14 2HG2 ILE 14 -10.068 -9.403 0.842 115 HG23 ILE 14 3HG2 ILE 14 -8.529 -8.541 0.828 116 HD11 ILE 14 3HD1 ILE 14 -10.770 -13.195 1.310 117 HD12 ILE 14 1HD1 ILE 14 -10.455 -12.358 -0.208 118 HD13 ILE 14 2HD1 ILE 14 -11.092 -11.472 1.179 119 H ILE 15 H ILE 15 -5.755 -10.314 -1.043 120 HA ILE 15 HA ILE 15 -5.637 -7.552 -1.537 121 HB ILE 15 HB ILE 15 -3.683 -9.753 -2.365 122 HG12 ILE 15 2HG1 ILE 15 -3.563 -7.857 0.027 123 HG13 ILE 15 3HG1 ILE 15 -4.196 -9.496 0.106 124 HG21 ILE 15 1HG2 ILE 15 -3.254 -7.746 -3.728 125 HG22 ILE 15 2HG2 ILE 15 -1.953 -7.992 -2.564 126 HG23 ILE 15 3HG2 ILE 15 -3.174 -6.753 -2.270 127 HD11 ILE 15 3HD1 ILE 15 -1.960 -9.417 0.952 128 HD12 ILE 15 1HD1 ILE 15 -1.371 -8.713 -0.554 129 HD13 ILE 15 2HD1 ILE 15 -2.003 -10.361 -0.535 130 H SER 16 H SER 16 -5.675 -10.311 -3.802 131 HA SER 16 HA SER 16 -5.636 -8.907 -6.234 132 HB2 SER 16 2HB SER 16 -5.241 -11.335 -6.106 133 HB3 SER 16 3HB SER 16 -6.909 -11.612 -5.589 134 HG SER 16 HG SER 16 -6.008 -10.592 -8.092 135 H SER 17 H SER 17 -8.382 -9.962 -4.202 136 HA SER 17 HA SER 17 -10.499 -9.228 -5.876 137 HB2 SER 17 2HB SER 17 -10.419 -9.253 -2.827 138 HB3 SER 17 3HB SER 17 -11.888 -9.239 -3.808 139 HG SER 17 HG SER 17 -10.501 -11.338 -3.026 140 H VAL 18 H VAL 18 -9.039 -7.387 -3.205 141 HA VAL 18 HA VAL 18 -10.693 -5.087 -3.440 142 HB VAL 18 HB VAL 18 -8.030 -5.462 -1.984 143 HG11 VAL 18 1HG1 VAL 18 -8.633 -3.474 -0.643 144 HG12 VAL 18 2HG1 VAL 18 -10.060 -3.221 -1.645 145 HG13 VAL 18 3HG1 VAL 18 -8.452 -3.063 -2.350 146 HG21 VAL 18 3HG2 VAL 18 -9.390 -5.791 0.034 147 HG22 VAL 18 1HG2 VAL 18 -9.805 -6.983 -1.198 148 HG23 VAL 18 2HG2 VAL 18 -10.870 -5.606 -0.910 149 H GLN 19 H GLN 19 -7.510 -5.942 -4.714 150 HA GLN 19 HA GLN 19 -6.779 -3.261 -5.506 151 HB2 GLN 19 2HB GLN 19 -5.113 -4.951 -4.816 152 HB3 GLN 19 3HB GLN 19 -5.541 -5.959 -6.191 153 HG2 GLN 19 2HG GLN 19 -4.643 -4.318 -7.731 154 HG3 GLN 19 3HG GLN 19 -4.356 -3.184 -6.412 155 HE21 GLN 19 1HE2 GLN 19 -3.670 -6.665 -6.179 156 HE22 GLN 19 2HE2 GLN 19 -1.953 -6.485 -6.126 157 H GLU 20 H GLU 20 -8.147 -6.112 -7.131 158 HA GLU 20 HA GLU 20 -8.243 -4.997 -9.753 159 HB2 GLU 20 2HB GLU 20 -9.905 -7.178 -8.431 160 HB3 GLU 20 3HB GLU 20 -10.165 -6.680 -10.097 161 HG2 GLU 20 2HG GLU 20 -7.618 -7.871 -8.972 162 HG3 GLU 20 3HG GLU 20 -8.802 -8.701 -9.978 163 H ARG 21 H ARG 21 -10.439 -4.849 -6.949 164 HA ARG 21 HA ARG 21 -12.487 -3.329 -8.238 165 HB2 ARG 21 2HB ARG 21 -11.830 -3.534 -5.263 166 HB3 ARG 21 3HB ARG 21 -13.275 -2.783 -5.918 167 HG2 ARG 21 2HG ARG 21 -12.549 -5.718 -6.077 168 HG3 ARG 21 3HG ARG 21 -13.769 -4.998 -5.036 169 HD2 ARG 21 2HD ARG 21 -14.937 -6.020 -6.844 170 HD3 ARG 21 3HD ARG 21 -14.989 -4.286 -7.153 171 HE ARG 21 HE ARG 21 -13.682 -4.583 -9.025 172 HH11 ARG 21 1HH1 ARG 21 -13.757 -7.643 -7.278 173 HH12 ARG 21 2HH1 ARG 21 -13.028 -8.528 -8.578 174 HH21 ARG 21 1HH2 ARG 21 -12.698 -5.757 -10.685 175 HH22 ARG 21 2HH2 ARG 21 -12.430 -7.461 -10.500 176 H ALA 22 H ALA 22 -9.500 -2.498 -6.551 177 HA ALA 22 HA ALA 22 -10.139 0.251 -6.057 178 HB1 ALA 22 3HB ALA 22 -8.574 -1.004 -4.619 179 HB2 ALA 22 1HB ALA 22 -7.824 0.451 -5.278 180 HB3 ALA 22 2HB ALA 22 -7.434 -1.133 -5.960 181 H LYS 23 H LYS 23 -7.718 -1.261 -8.251 182 HA LYS 23 HA LYS 23 -6.969 1.161 -9.509 183 HB2 LYS 23 2HB LYS 23 -6.640 -1.735 -10.385 184 HB3 LYS 23 3HB LYS 23 -5.907 -0.376 -11.237 185 HG2 LYS 23 2HG LYS 23 -4.585 0.214 -9.267 186 HG3 LYS 23 3HG LYS 23 -5.375 -1.050 -8.319 187 HD2 LYS 23 2HD LYS 23 -4.362 -2.788 -9.696 188 HD3 LYS 23 3HD LYS 23 -3.693 -1.584 -10.798 189 HE2 LYS 23 2HE LYS 23 -2.206 -0.757 -9.038 190 HE3 LYS 23 3HE LYS 23 -2.925 -1.875 -7.874 191 HZ1 LYS 23 3HZ LYS 23 -0.770 -2.598 -8.881 192 HZ2 LYS 23 1HZ LYS 23 -1.568 -2.778 -10.358 193 HZ3 LYS 23 2HZ LYS 23 -2.025 -3.717 -9.025 194 H HIS 24 H HIS 24 -9.558 -1.105 -10.214 195 HA HIS 24 HA HIS 24 -10.214 -0.064 -12.827 196 HB2 HIS 24 2HB HIS 24 -10.761 -2.401 -12.089 197 HB3 HIS 24 3HB HIS 24 -11.916 -1.754 -10.934 198 HD1 HIS 24 HD1 HIS 24 -11.587 -2.846 -14.431 199 HD2 HIS 24 HD2 HIS 24 -14.251 -0.566 -12.197 200 HE1 HIS 24 HE1 HIS 24 -13.689 -2.704 -15.809 201 HE2 HIS 24 HE2 HIS 24 -15.296 -1.365 -14.420 202 H ASN 25 H ASN 25 -11.569 0.352 -9.532 203 HA ASN 25 HA ASN 25 -13.708 2.107 -10.400 204 HB2 ASN 25 2HB ASN 25 -13.843 0.501 -8.419 205 HB3 ASN 25 3HB ASN 25 -12.795 1.597 -7.528 206 HD21 ASN 25 1HD2 ASN 25 -13.649 3.619 -6.857 207 HD22 ASN 25 2HD2 ASN 25 -15.348 3.938 -6.839 208 H TYR 26 H TYR 26 -10.437 2.550 -9.385 209 HA TYR 26 HA TYR 26 -10.761 5.495 -9.451 210 HB2 TYR 26 2HB TYR 26 -8.513 4.131 -7.885 211 HB3 TYR 26 3HB TYR 26 -9.035 5.810 -7.798 212 HD1 TYR 26 HD1 TYR 26 -11.292 6.336 -6.637 213 HD2 TYR 26 HD2 TYR 26 -9.477 2.481 -6.456 214 HE1 TYR 26 HE1 TYR 26 -12.750 5.707 -4.748 215 HE2 TYR 26 HE2 TYR 26 -10.928 1.861 -4.597 216 HH TYR 26 HH TYR 26 -12.257 2.869 -2.881 217 HA PRO 27 HA PRO 27 -8.031 3.913 -12.940 218 HB2 PRO 27 2HB PRO 27 -9.253 5.123 -15.033 219 HB3 PRO 27 3HB PRO 27 -9.947 3.671 -14.278 220 HG2 PRO 27 2HG PRO 27 -10.702 6.546 -13.838 221 HG3 PRO 27 3HG PRO 27 -11.757 5.144 -14.132 222 HD2 PRO 27 2HD PRO 27 -11.267 6.118 -11.618 223 HD3 PRO 27 3HD PRO 27 -11.614 4.402 -11.937 224 H GLY 28 H GLY 28 -8.844 7.006 -11.709 225 HA2 GLY 28 2HA GLY 28 -6.634 8.398 -13.091 226 HA3 GLY 28 3HA GLY 28 -7.948 9.149 -12.193 227 H ARG 29 H ARG 29 -6.475 6.357 -10.776 228 HA ARG 29 HA ARG 29 -4.693 8.030 -9.101 229 HB2 ARG 29 2HB ARG 29 -6.799 7.297 -7.857 230 HB3 ARG 29 3HB ARG 29 -6.292 5.627 -8.081 231 HG2 ARG 29 2HG ARG 29 -5.665 6.255 -5.870 232 HG3 ARG 29 3HG ARG 29 -4.172 6.186 -6.803 233 HD2 ARG 29 2HD ARG 29 -5.687 8.757 -6.233 234 HD3 ARG 29 3HD ARG 29 -4.393 8.139 -5.210 235 HE ARG 29 HE ARG 29 -3.059 8.272 -7.456 236 HH11 ARG 29 1HH1 ARG 29 -5.358 10.653 -6.205 237 HH12 ARG 29 2HH1 ARG 29 -4.578 11.983 -7.002 238 HH21 ARG 29 1HH2 ARG 29 -2.086 10.052 -8.537 239 HH22 ARG 29 2HH2 ARG 29 -2.740 11.649 -8.312 240 H GLU 30 H GLU 30 -2.668 7.379 -9.234 241 HA GLU 30 HA GLU 30 -1.760 4.875 -10.258 242 HB2 GLU 30 2HB GLU 30 -0.315 7.003 -8.604 243 HB3 GLU 30 3HB GLU 30 0.483 5.604 -9.306 244 HG2 GLU 30 2HG GLU 30 0.929 7.495 -10.706 245 HG3 GLU 30 3HG GLU 30 -0.175 6.436 -11.573 246 H ILE 31 H ILE 31 -1.878 2.995 -9.174 247 HA ILE 31 HA ILE 31 -1.610 2.970 -6.217 248 HB ILE 31 HB ILE 31 -3.387 1.151 -7.927 249 HG12 ILE 31 2HG1 ILE 31 -4.144 3.187 -5.768 250 HG13 ILE 31 3HG1 ILE 31 -4.370 3.406 -7.497 251 HG21 ILE 31 1HG2 ILE 31 -2.325 -0.136 -6.126 252 HG22 ILE 31 2HG2 ILE 31 -4.046 0.066 -5.798 253 HG23 ILE 31 3HG2 ILE 31 -2.860 1.051 -4.934 254 HD11 ILE 31 3HD1 ILE 31 -6.447 2.854 -6.419 255 HD12 ILE 31 1HD1 ILE 31 -5.764 1.363 -5.773 256 HD13 ILE 31 2HD1 ILE 31 -5.978 1.557 -7.516 257 H ARG 32 H ARG 32 -0.016 1.682 -5.505 258 HA ARG 32 HA ARG 32 1.742 0.404 -7.487 259 HB2 ARG 32 2HB ARG 32 2.229 1.343 -4.620 260 HB3 ARG 32 3HB ARG 32 3.450 0.598 -5.641 261 HG2 ARG 32 2HG ARG 32 2.071 3.237 -6.227 262 HG3 ARG 32 3HG ARG 32 3.667 3.061 -5.502 263 HD2 ARG 32 2HD ARG 32 4.442 1.901 -7.576 264 HD3 ARG 32 3HD ARG 32 2.855 2.189 -8.298 265 HE ARG 32 HE ARG 32 4.401 4.500 -7.348 266 HH11 ARG 32 1HH1 ARG 32 3.231 2.658 -10.130 267 HH12 ARG 32 2HH1 ARG 32 3.573 3.941 -11.257 268 HH21 ARG 32 1HH2 ARG 32 4.883 6.129 -8.841 269 HH22 ARG 32 2HH2 ARG 32 4.505 5.904 -10.523 270 H THR 33 H THR 33 2.903 -1.532 -6.762 271 HA THR 33 HA THR 33 1.424 -3.359 -4.976 272 HB THR 33 HB THR 33 2.358 -4.225 -7.769 273 HG1 THR 33 HG1 THR 33 -0.147 -3.148 -6.962 274 HG21 THR 33 3HG2 THR 33 0.335 -5.445 -5.843 275 HG22 THR 33 1HG2 THR 33 1.970 -6.049 -6.134 276 HG23 THR 33 2HG2 THR 33 0.774 -6.089 -7.429 277 H ALA 34 H ALA 34 2.806 -4.837 -3.948 278 HA ALA 34 HA ALA 34 5.670 -4.834 -4.630 279 HB1 ALA 34 3HB ALA 34 4.568 -4.176 -1.876 280 HB2 ALA 34 1HB ALA 34 5.405 -3.066 -2.960 281 HB3 ALA 34 2HB ALA 34 6.273 -4.429 -2.256 282 H THR 35 H THR 35 6.649 -6.746 -4.319 283 HA THR 35 HA THR 35 5.347 -8.869 -2.697 284 HB THR 35 HB THR 35 6.747 -9.270 -5.396 285 HG1 THR 35 HG1 THR 35 4.741 -8.447 -5.795 286 HG21 THR 35 3HG2 THR 35 7.054 -11.233 -3.905 287 HG22 THR 35 1HG2 THR 35 5.978 -11.615 -5.251 288 HG23 THR 35 2HG2 THR 35 5.309 -11.316 -3.647 289 H SER 36 H SER 36 8.297 -7.784 -4.361 290 HA SER 36 HA SER 36 10.048 -9.032 -2.336 291 HB2 SER 36 2HB SER 36 10.490 -9.504 -4.751 292 HB3 SER 36 3HB SER 36 10.704 -7.782 -5.051 293 HG SER 36 HG SER 36 12.563 -9.441 -4.426 294 H SER 37 H SER 37 11.996 -7.702 -1.722 295 HA SER 37 HA SER 37 11.248 -5.187 -0.599 296 HB2 SER 37 2HB SER 37 13.657 -5.154 0.202 297 HB3 SER 37 3HB SER 37 12.766 -6.615 0.635 298 HG SER 37 HG SER 37 14.975 -6.825 -0.326 299 H GLN 38 H GLN 38 12.729 -6.107 -3.601 300 HA GLN 38 HA GLN 38 13.886 -3.711 -4.467 301 HB2 GLN 38 2HB GLN 38 14.074 -5.720 -5.836 302 HB3 GLN 38 3HB GLN 38 12.328 -5.834 -6.013 303 HG2 GLN 38 2HG GLN 38 13.371 -5.045 -8.085 304 HG3 GLN 38 3HG GLN 38 12.309 -3.814 -7.411 305 HE21 GLN 38 1HE2 GLN 38 13.228 -1.861 -6.659 306 HE22 GLN 38 2HE2 GLN 38 14.866 -1.421 -6.993 307 H ASP 39 H ASP 39 10.534 -4.859 -4.818 308 HA ASP 39 HA ASP 39 9.401 -2.573 -5.980 309 HB2 ASP 39 2HB ASP 39 8.024 -4.589 -4.146 310 HB3 ASP 39 3HB ASP 39 7.230 -3.517 -5.292 311 H ILE 40 H ILE 40 9.588 -3.613 -2.614 312 HA ILE 40 HA ILE 40 8.139 -1.774 -1.209 313 HB ILE 40 HB ILE 40 10.676 -3.306 -0.568 314 HG12 ILE 40 2HG1 ILE 40 8.587 -4.599 -0.834 315 HG13 ILE 40 3HG1 ILE 40 9.194 -4.709 0.811 316 HG21 ILE 40 1HG2 ILE 40 10.863 -1.358 0.867 317 HG22 ILE 40 2HG2 ILE 40 10.458 -2.778 1.833 318 HG23 ILE 40 3HG2 ILE 40 9.215 -1.590 1.449 319 HD11 ILE 40 3HD1 ILE 40 6.786 -4.518 0.781 320 HD12 ILE 40 1HD1 ILE 40 6.878 -3.009 -0.126 321 HD13 ILE 40 2HD1 ILE 40 7.486 -3.083 1.531 322 H ARG 41 H ARG 41 11.646 -1.444 -1.981 323 HA ARG 41 HA ARG 41 11.778 1.232 -0.898 324 HB2 ARG 41 2HB ARG 41 13.847 -0.306 -2.529 325 HB3 ARG 41 3HB ARG 41 14.137 1.214 -1.686 326 HG2 ARG 41 2HG ARG 41 13.511 0.003 0.477 327 HG3 ARG 41 3HG ARG 41 13.538 -1.493 -0.458 328 HD2 ARG 41 2HD ARG 41 15.887 0.400 -0.090 329 HD3 ARG 41 3HD ARG 41 15.652 -1.122 0.763 330 HE ARG 41 HE ARG 41 15.629 -1.609 -2.012 331 HH11 ARG 41 1HH1 ARG 41 17.957 -0.743 0.521 332 HH12 ARG 41 2HH1 ARG 41 19.300 -1.456 -0.321 333 HH21 ARG 41 1HH2 ARG 41 17.399 -2.522 -3.071 334 HH22 ARG 41 2HH2 ARG 41 18.983 -2.463 -2.352 335 H ASP 42 H ASP 42 11.518 -0.191 -4.125 336 HA ASP 42 HA ASP 42 12.154 1.980 -5.776 337 HB2 ASP 42 2HB ASP 42 11.880 -0.337 -6.619 338 HB3 ASP 42 3HB ASP 42 10.156 -0.281 -6.288 339 H ILE 43 H ILE 43 9.072 1.038 -4.336 340 HA ILE 43 HA ILE 43 7.342 2.936 -5.467 341 HB ILE 43 HB ILE 43 7.234 1.487 -2.781 342 HG12 ILE 43 2HG1 ILE 43 5.587 0.965 -5.303 343 HG13 ILE 43 3HG1 ILE 43 7.086 0.121 -4.941 344 HG21 ILE 43 1HG2 ILE 43 5.897 3.546 -2.587 345 HG22 ILE 43 2HG2 ILE 43 4.856 2.127 -2.614 346 HG23 ILE 43 3HG2 ILE 43 5.011 3.127 -4.056 347 HD11 ILE 43 3HD1 ILE 43 6.066 -0.781 -2.897 348 HD12 ILE 43 1HD1 ILE 43 5.194 -1.239 -4.360 349 HD13 ILE 43 2HD1 ILE 43 4.551 0.027 -3.316 350 H ILE 44 H ILE 44 9.361 3.065 -2.546 351 HA ILE 44 HA ILE 44 8.429 5.599 -1.598 352 HB ILE 44 HB ILE 44 10.945 4.021 -0.888 353 HG12 ILE 44 2HG1 ILE 44 8.270 4.147 0.591 354 HG13 ILE 44 3HG1 ILE 44 8.702 2.863 -0.533 355 HG21 ILE 44 1HG2 ILE 44 10.999 5.337 1.212 356 HG22 ILE 44 2HG2 ILE 44 9.648 6.316 0.638 357 HG23 ILE 44 3HG2 ILE 44 11.198 6.376 -0.202 358 HD11 ILE 44 3HD1 ILE 44 9.012 2.149 1.727 359 HD12 ILE 44 1HD1 ILE 44 10.098 3.501 2.053 360 HD13 ILE 44 2HD1 ILE 44 10.570 2.241 0.908 361 H LYS 45 H LYS 45 11.129 4.575 -3.677 362 HA LYS 45 HA LYS 45 12.381 7.102 -4.026 363 HB2 LYS 45 2HB LYS 45 12.327 4.531 -5.602 364 HB3 LYS 45 3HB LYS 45 12.917 5.966 -6.417 365 HG2 LYS 45 2HG LYS 45 14.794 4.730 -5.616 366 HG3 LYS 45 3HG LYS 45 14.679 6.206 -4.672 367 HD2 LYS 45 2HD LYS 45 13.500 3.644 -3.589 368 HD3 LYS 45 3HD LYS 45 15.240 3.888 -3.518 369 HE2 LYS 45 2HE LYS 45 13.147 5.693 -2.253 370 HE3 LYS 45 3HE LYS 45 14.171 4.536 -1.406 371 HZ1 LYS 45 3HZ LYS 45 15.063 6.987 -2.831 372 HZ2 LYS 45 1HZ LYS 45 16.114 5.820 -2.202 373 HZ3 LYS 45 2HZ LYS 45 15.105 6.696 -1.166 374 H SER 46 H SER 46 9.642 5.517 -5.646 375 HA SER 46 HA SER 46 9.054 7.577 -7.513 376 HB2 SER 46 2HB SER 46 8.154 5.295 -7.765 377 HB3 SER 46 3HB SER 46 7.203 5.479 -6.294 378 HG SER 46 HG SER 46 6.796 7.450 -8.196 379 H MET 47 H MET 47 8.177 7.058 -4.117 380 HA MET 47 HA MET 47 6.203 9.169 -3.999 381 HB2 MET 47 2HB MET 47 7.608 7.672 -1.740 382 HB3 MET 47 3HB MET 47 6.262 8.784 -1.535 383 HG2 MET 47 2HG MET 47 5.009 7.162 -3.167 384 HG3 MET 47 3HG MET 47 6.262 6.019 -2.695 385 HE1 MET 47 3HE MET 47 4.588 8.895 -0.610 386 HE2 MET 47 1HE MET 47 3.308 8.007 0.212 387 HE3 MET 47 2HE MET 47 3.247 8.212 -1.536 388 H LYS 48 H LYS 48 9.631 9.001 -3.738 389 HA LYS 48 HA LYS 48 10.132 11.385 -2.292 390 HB2 LYS 48 2HB LYS 48 11.790 9.715 -4.192 391 HB3 LYS 48 3HB LYS 48 12.426 11.219 -3.558 392 HG2 LYS 48 2HG LYS 48 11.433 9.083 -1.668 393 HG3 LYS 48 3HG LYS 48 13.026 8.952 -2.406 394 HD2 LYS 48 2HD LYS 48 13.301 9.938 -0.235 395 HD3 LYS 48 3HD LYS 48 13.614 11.188 -1.433 396 HE2 LYS 48 2HE LYS 48 11.355 12.119 -1.016 397 HE3 LYS 48 3HE LYS 48 11.068 10.853 0.181 398 HZ1 LYS 48 3HZ LYS 48 11.756 12.720 1.393 399 HZ2 LYS 48 1HZ LYS 48 13.010 13.081 0.323 400 HZ3 LYS 48 2HZ LYS 48 13.125 11.735 1.328 401 H ASP 49 H ASP 49 9.568 10.723 -5.711 402 HA ASP 49 HA ASP 49 9.764 13.563 -6.425 403 HB2 ASP 49 2HB ASP 49 10.648 11.892 -8.017 404 HB3 ASP 49 3HB ASP 49 9.083 11.091 -8.092 405 H ASN 50 H ASN 50 7.324 10.997 -6.812 406 HA ASN 50 HA ASN 50 5.109 12.743 -7.220 407 HB2 ASN 50 2HB ASN 50 5.064 9.770 -6.526 408 HB3 ASN 50 3HB ASN 50 3.737 10.692 -7.221 409 HD21 ASN 50 1HD2 ASN 50 5.443 12.119 -9.158 410 HD22 ASN 50 2HD2 ASN 50 5.892 10.950 -10.342 411 H GLY 51 H GLY 51 5.158 14.100 -5.385 412 HA2 GLY 51 2HA GLY 51 4.516 13.119 -2.738 413 HA3 GLY 51 3HA GLY 51 4.558 14.793 -3.269 414 H LYS 52 H LYS 52 2.647 11.815 -3.472 415 HA LYS 52 HA LYS 52 0.131 13.350 -3.637 416 HB2 LYS 52 2HB LYS 52 -0.666 11.979 -5.541 417 HB3 LYS 52 3HB LYS 52 0.776 12.883 -5.985 418 HG2 LYS 52 2HG LYS 52 2.156 10.873 -5.789 419 HG3 LYS 52 3HG LYS 52 0.772 9.954 -5.190 420 HD2 LYS 52 2HD LYS 52 1.166 9.430 -7.552 421 HD3 LYS 52 3HD LYS 52 -0.380 10.259 -7.372 422 HE2 LYS 52 2HE LYS 52 0.664 12.368 -8.129 423 HE3 LYS 52 3HE LYS 52 2.220 11.549 -8.284 424 HZ1 LYS 52 3HZ LYS 52 -0.241 10.904 -9.828 425 HZ2 LYS 52 1HZ LYS 52 1.240 10.105 -9.962 426 HZ3 LYS 52 2HZ LYS 52 1.113 11.724 -10.419 427 HA PRO 53 HA PRO 53 -1.526 9.885 -1.135 428 HB2 PRO 53 2HB PRO 53 -4.038 10.055 -2.778 429 HB3 PRO 53 3HB PRO 53 -3.825 10.241 -1.023 430 HG2 PRO 53 2HG PRO 53 -4.350 12.363 -2.554 431 HG3 PRO 53 3HG PRO 53 -3.210 12.489 -1.191 432 HD2 PRO 53 2HD PRO 53 -2.603 12.190 -4.136 433 HD3 PRO 53 3HD PRO 53 -1.864 13.279 -2.937 434 H LEU 54 H LEU 54 -0.282 8.150 -1.844 435 HA LEU 54 HA LEU 54 -1.244 6.552 -4.145 436 HB2 LEU 54 2HB LEU 54 1.378 6.556 -2.603 437 HB3 LEU 54 3HB LEU 54 0.942 5.213 -3.647 438 HG LEU 54 HG LEU 54 1.317 8.093 -4.576 439 HD11 LEU 54 1HD1 LEU 54 3.333 7.299 -5.715 440 HD12 LEU 54 2HD1 LEU 54 3.116 5.689 -5.017 441 HD13 LEU 54 3HD1 LEU 54 3.450 7.069 -3.973 442 HD21 LEU 54 3HD2 LEU 54 0.711 5.590 -6.166 443 HD22 LEU 54 1HD2 LEU 54 1.138 7.166 -6.851 444 HD23 LEU 54 2HD2 LEU 54 -0.347 6.983 -5.925 445 H VAL 55 H VAL 55 -1.298 4.178 -3.817 446 HA VAL 55 HA VAL 55 -1.796 3.230 -1.060 447 HB VAL 55 HB VAL 55 -3.603 2.590 -3.473 448 HG11 VAL 55 1HG1 VAL 55 -3.803 1.565 -0.616 449 HG12 VAL 55 2HG1 VAL 55 -3.333 0.620 -2.032 450 HG13 VAL 55 3HG1 VAL 55 -4.970 1.261 -1.907 451 HG21 VAL 55 3HG2 VAL 55 -4.284 4.137 -0.940 452 HG22 VAL 55 1HG2 VAL 55 -5.424 3.697 -2.216 453 HG23 VAL 55 2HG2 VAL 55 -4.107 4.819 -2.557 454 H VAL 56 H VAL 56 -0.501 1.461 -0.701 455 HA VAL 56 HA VAL 56 0.548 -0.083 -3.017 456 HB VAL 56 HB VAL 56 1.678 0.232 -0.185 457 HG11 VAL 56 1HG1 VAL 56 3.603 -1.140 -0.929 458 HG12 VAL 56 2HG1 VAL 56 2.793 -1.459 -2.466 459 HG13 VAL 56 3HG1 VAL 56 2.103 -2.070 -0.961 460 HG21 VAL 56 3HG2 VAL 56 3.545 1.364 -1.258 461 HG22 VAL 56 1HG2 VAL 56 2.036 2.163 -1.699 462 HG23 VAL 56 2HG2 VAL 56 2.838 1.098 -2.852 463 H PHE 57 H PHE 57 -0.347 -2.050 -3.300 464 HA PHE 57 HA PHE 57 -1.360 -3.585 -0.995 465 HB2 PHE 57 2HB PHE 57 -1.560 -4.022 -4.005 466 HB3 PHE 57 3HB PHE 57 -2.108 -5.201 -2.818 467 HD1 PHE 57 HD1 PHE 57 -2.730 -1.791 -4.177 468 HD2 PHE 57 HD2 PHE 57 -4.203 -4.923 -1.665 469 HE1 PHE 57 HE1 PHE 57 -4.915 -0.661 -4.038 470 HE2 PHE 57 HE2 PHE 57 -6.373 -3.785 -1.537 471 HZ PHE 57 HZ PHE 57 -6.735 -1.656 -2.716 472 H VAL 58 H VAL 58 0.295 -4.553 0.072 473 HA VAL 58 HA VAL 58 2.526 -5.751 -1.412 474 HB VAL 58 HB VAL 58 3.474 -6.375 0.804 475 HG11 VAL 58 1HG1 VAL 58 4.017 -4.074 1.574 476 HG12 VAL 58 2HG1 VAL 58 2.731 -3.442 0.540 477 HG13 VAL 58 3HG1 VAL 58 4.122 -4.252 -0.176 478 HG21 VAL 58 3HG2 VAL 58 1.441 -6.655 2.136 479 HG22 VAL 58 1HG2 VAL 58 1.095 -4.928 2.019 480 HG23 VAL 58 2HG2 VAL 58 2.519 -5.489 2.902 481 H ASN 59 H ASN 59 2.017 -7.543 -2.442 482 HA ASN 59 HA ASN 59 -0.051 -9.355 -1.753 483 HB2 ASN 59 2HB ASN 59 2.194 -9.567 -3.791 484 HB3 ASN 59 3HB ASN 59 0.922 -10.771 -3.621 485 HD21 ASN 59 1HD2 ASN 59 -0.022 -10.489 -5.590 486 HD22 ASN 59 2HD2 ASN 59 -0.826 -9.042 -6.078 487 H GLY 60 H GLY 60 0.443 -9.894 0.407 488 HA2 GLY 60 2HA GLY 60 1.084 -11.308 2.067 489 HA3 GLY 60 3HA GLY 60 1.549 -12.437 0.802 490 H ALA 61 H ALA 61 2.914 -9.219 1.455 491 HA ALA 61 HA ALA 61 5.609 -10.203 1.372 492 HB1 ALA 61 3HB ALA 61 6.278 -7.879 1.826 493 HB2 ALA 61 1HB ALA 61 4.603 -7.455 2.188 494 HB3 ALA 61 2HB ALA 61 5.054 -7.947 0.555 495 H SER 62 H SER 62 7.068 -10.481 3.012 496 HA SER 62 HA SER 62 6.076 -11.263 5.596 497 HB2 SER 62 2HB SER 62 8.918 -11.034 4.493 498 HB3 SER 62 3HB SER 62 8.506 -11.760 6.050 499 HG SER 62 HG SER 62 7.270 -12.663 3.683 500 H GLN 63 H GLN 63 7.099 -10.455 7.621 501 HA GLN 63 HA GLN 63 6.610 -7.716 7.965 502 HB2 GLN 63 2HB GLN 63 6.385 -9.416 9.786 503 HB3 GLN 63 3HB GLN 63 8.138 -9.557 9.860 504 HG2 GLN 63 2HG GLN 63 7.283 -8.121 11.667 505 HG3 GLN 63 3HG GLN 63 8.316 -7.203 10.567 506 HE21 GLN 63 1HE2 GLN 63 7.423 -5.213 11.030 507 HE22 GLN 63 2HE2 GLN 63 5.802 -4.778 10.633 508 H ASN 64 H ASN 64 9.565 -9.436 7.196 509 HA ASN 64 HA ASN 64 11.562 -7.556 7.686 510 HB2 ASN 64 2HB ASN 64 11.350 -9.376 5.234 511 HB3 ASN 64 3HB ASN 64 12.829 -8.635 5.848 512 HD21 ASN 64 1HD2 ASN 64 13.851 -9.559 7.636 513 HD22 ASN 64 2HD2 ASN 64 13.379 -11.085 8.299 514 H ASP 65 H ASP 65 9.633 -7.975 4.704 515 HA ASP 65 HA ASP 65 10.555 -5.764 3.232 516 HB2 ASP 65 2HB ASP 65 7.796 -7.061 3.088 517 HB3 ASP 65 3HB ASP 65 8.538 -6.080 1.831 518 H VAL 66 H VAL 66 7.874 -6.112 5.465 519 HA VAL 66 HA VAL 66 6.577 -3.632 5.101 520 HB VAL 66 HB VAL 66 6.612 -5.559 7.470 521 HG11 VAL 66 1HG1 VAL 66 5.899 -3.370 8.288 522 HG12 VAL 66 2HG1 VAL 66 4.522 -4.471 8.230 523 HG13 VAL 66 3HG1 VAL 66 4.717 -3.235 6.984 524 HG21 VAL 66 3HG2 VAL 66 4.450 -6.351 6.562 525 HG22 VAL 66 1HG2 VAL 66 5.746 -6.537 5.378 526 HG23 VAL 66 2HG2 VAL 66 4.589 -5.213 5.219 527 H ASN 67 H ASN 67 9.127 -4.681 7.360 528 HA ASN 67 HA ASN 67 9.350 -2.292 8.887 529 HB2 ASN 67 2HB ASN 67 11.443 -4.457 8.345 530 HB3 ASN 67 3HB ASN 67 11.643 -3.159 9.519 531 HD21 ASN 67 1HD2 ASN 67 11.493 -6.131 9.750 532 HD22 ASN 67 2HD2 ASN 67 10.291 -6.429 10.956 533 H GLU 68 H GLU 68 11.082 -3.522 6.009 534 HA GLU 68 HA GLU 68 12.916 -1.412 5.702 535 HB2 GLU 68 2HB GLU 68 11.743 -3.146 3.476 536 HB3 GLU 68 3HB GLU 68 13.215 -2.190 3.370 537 HG2 GLU 68 2HG GLU 68 12.745 -4.673 5.022 538 HG3 GLU 68 3HG GLU 68 13.824 -4.492 3.648 539 H PHE 69 H PHE 69 9.594 -1.809 4.530 540 HA PHE 69 HA PHE 69 9.494 0.436 2.806 541 HB2 PHE 69 2HB PHE 69 7.805 -1.474 2.861 542 HB3 PHE 69 3HB PHE 69 7.126 -0.773 4.324 543 HD1 PHE 69 HD1 PHE 69 5.866 1.386 4.205 544 HD2 PHE 69 HD2 PHE 69 7.403 -0.472 0.669 545 HE1 PHE 69 HE1 PHE 69 4.439 2.830 2.821 546 HE2 PHE 69 HE2 PHE 69 5.968 0.979 -0.707 547 HZ PHE 69 HZ PHE 69 4.490 2.632 0.366 548 H GLN 70 H GLN 70 8.518 -0.016 6.184 549 HA GLN 70 HA GLN 70 7.583 2.630 6.615 550 HB2 GLN 70 2HB GLN 70 8.381 0.425 8.550 551 HB3 GLN 70 3HB GLN 70 7.640 1.944 9.052 552 HG2 GLN 70 2HG GLN 70 5.636 1.432 7.725 553 HG3 GLN 70 3HG GLN 70 6.378 -0.067 7.162 554 HE21 GLN 70 1HE2 GLN 70 4.601 -1.225 8.014 555 HE22 GLN 70 2HE2 GLN 70 4.453 -1.532 9.708 556 H ASN 71 H ASN 71 10.765 1.148 6.920 557 HA ASN 71 HA ASN 71 11.975 3.225 8.505 558 HB2 ASN 71 2HB ASN 71 13.181 0.950 6.864 559 HB3 ASN 71 3HB ASN 71 14.170 2.109 7.747 560 HD21 ASN 71 1HD2 ASN 71 13.736 -0.846 8.043 561 HD22 ASN 71 2HD2 ASN 71 13.342 -1.060 9.712 562 H GLU 72 H GLU 72 12.282 2.282 5.050 563 HA GLU 72 HA GLU 72 13.855 4.497 4.276 564 HB2 GLU 72 2HB GLU 72 12.068 2.835 2.466 565 HB3 GLU 72 3HB GLU 72 13.382 3.876 1.949 566 HG2 GLU 72 2HG GLU 72 13.516 1.220 3.353 567 HG3 GLU 72 3HG GLU 72 14.214 1.677 1.803 568 H ALA 73 H ALA 73 10.400 4.125 4.623 569 HA ALA 73 HA ALA 73 9.629 6.479 3.214 570 HB1 ALA 73 3HB ALA 73 8.170 5.000 5.428 571 HB2 ALA 73 1HB ALA 73 8.049 4.656 3.703 572 HB3 ALA 73 2HB ALA 73 7.464 6.197 4.335 573 H LYS 74 H LYS 74 9.855 5.858 6.793 574 HA LYS 74 HA LYS 74 9.197 8.558 7.422 575 HB2 LYS 74 2HB LYS 74 9.613 8.010 9.760 576 HB3 LYS 74 3HB LYS 74 8.660 6.760 8.981 577 HG2 LYS 74 2HG LYS 74 10.607 5.294 8.865 578 HG3 LYS 74 3HG LYS 74 11.631 6.555 9.553 579 HD2 LYS 74 2HD LYS 74 10.508 6.433 11.680 580 HD3 LYS 74 3HD LYS 74 9.220 5.417 11.027 581 HE2 LYS 74 2HE LYS 74 12.128 4.543 11.192 582 HE3 LYS 74 3HE LYS 74 10.926 4.198 12.434 583 HZ1 LYS 74 3HZ LYS 74 11.271 2.379 10.807 584 HZ2 LYS 74 1HZ LYS 74 10.629 3.378 9.602 585 HZ3 LYS 74 2HZ LYS 74 9.669 2.908 10.908 586 H LYS 75 H LYS 75 12.328 6.959 7.030 587 HA LYS 75 HA LYS 75 13.938 8.963 8.274 588 HB2 LYS 75 2HB LYS 75 15.862 7.944 7.208 589 HB3 LYS 75 3HB LYS 75 14.782 6.662 7.734 590 HG2 LYS 75 2HG LYS 75 13.998 6.337 5.426 591 HG3 LYS 75 3HG LYS 75 14.992 7.690 4.889 592 HD2 LYS 75 2HD LYS 75 16.054 5.536 4.340 593 HD3 LYS 75 3HD LYS 75 17.041 6.454 5.479 594 HE2 LYS 75 2HE LYS 75 16.265 5.061 7.326 595 HE3 LYS 75 3HE LYS 75 15.153 4.205 6.250 596 HZ1 LYS 75 3HZ LYS 75 16.962 3.245 5.080 597 HZ2 LYS 75 1HZ LYS 75 17.265 3.023 6.727 598 HZ3 LYS 75 2HZ LYS 75 18.102 4.213 5.873 599 H GLU 76 H GLU 76 12.412 8.734 5.186 600 HA GLU 76 HA GLU 76 13.850 11.011 4.019 601 HB2 GLU 76 2HB GLU 76 11.818 9.049 2.875 602 HB3 GLU 76 3HB GLU 76 12.551 10.360 1.964 603 HG2 GLU 76 2HG GLU 76 13.942 7.937 3.116 604 HG3 GLU 76 3HG GLU 76 13.690 8.323 1.414 605 H GLY 77 H GLY 77 11.260 10.649 6.018 606 HA2 GLY 77 2HA GLY 77 9.608 12.094 6.692 607 HA3 GLY 77 3HA GLY 77 10.114 13.226 5.450 608 H VAL 78 H VAL 78 9.523 10.142 4.162 609 HA VAL 78 HA VAL 78 7.066 10.881 2.864 610 HB VAL 78 HB VAL 78 8.500 8.173 2.945 611 HG11 VAL 78 1HG1 VAL 78 7.137 7.551 0.986 612 HG12 VAL 78 2HG1 VAL 78 6.262 9.080 1.095 613 HG13 VAL 78 3HG1 VAL 78 6.116 7.887 2.387 614 HG21 VAL 78 3HG2 VAL 78 9.347 8.745 0.704 615 HG22 VAL 78 1HG2 VAL 78 9.872 9.934 1.899 616 HG23 VAL 78 2HG2 VAL 78 8.552 10.320 0.791 617 H SER 79 H SER 79 5.151 10.775 3.838 618 HA SER 79 HA SER 79 4.702 9.427 6.336 619 HB2 SER 79 2HB SER 79 2.760 10.888 4.502 620 HB3 SER 79 3HB SER 79 2.429 10.402 6.164 621 HG SER 79 HG SER 79 3.396 12.135 6.810 622 H TYR 80 H TYR 80 3.070 7.830 6.688 623 HA TYR 80 HA TYR 80 1.955 6.282 4.521 624 HB2 TYR 80 2HB TYR 80 3.122 4.148 5.186 625 HB3 TYR 80 3HB TYR 80 4.217 5.338 4.495 626 HD1 TYR 80 HD2 TYR 80 5.745 6.658 6.036 627 HD2 TYR 80 HD1 TYR 80 3.518 3.293 7.441 628 HE1 TYR 80 HE2 TYR 80 7.210 6.507 7.990 629 HE2 TYR 80 HE1 TYR 80 4.990 3.155 9.404 630 HH TYR 80 HH TYR 80 7.076 5.617 10.318 631 H ASP 81 H ASP 81 0.312 4.951 5.224 632 HA ASP 81 HA ASP 81 -0.209 4.718 8.138 633 HB2 ASP 81 2HB ASP 81 -2.288 5.033 5.912 634 HB3 ASP 81 3HB ASP 81 -2.653 4.731 7.608 635 H VAL 82 H VAL 82 -0.166 2.650 8.759 636 HA VAL 82 HA VAL 82 0.014 0.540 6.749 637 HB VAL 82 HB VAL 82 0.363 0.341 9.791 638 HG11 VAL 82 1HG1 VAL 82 1.507 -1.807 9.309 639 HG12 VAL 82 2HG1 VAL 82 1.127 -1.628 7.597 640 HG13 VAL 82 3HG1 VAL 82 -0.174 -1.834 8.770 641 HG21 VAL 82 3HG2 VAL 82 2.035 1.873 8.813 642 HG22 VAL 82 1HG2 VAL 82 2.510 0.636 7.646 643 HG23 VAL 82 2HG2 VAL 82 2.798 0.384 9.370 644 H LEU 83 H LEU 83 -1.987 0.113 6.013 645 HA LEU 83 HA LEU 83 -4.265 -0.362 7.767 646 HB2 LEU 83 2HB LEU 83 -4.581 0.747 5.585 647 HB3 LEU 83 3HB LEU 83 -3.894 -0.635 4.750 648 HG LEU 83 HG LEU 83 -5.841 -2.022 5.480 649 HD11 LEU 83 1HD1 LEU 83 -6.447 -0.873 7.537 650 HD12 LEU 83 2HD1 LEU 83 -7.832 -0.977 6.453 651 HD13 LEU 83 3HD1 LEU 83 -6.961 0.549 6.622 652 HD21 LEU 83 3HD2 LEU 83 -6.573 0.502 3.954 653 HD22 LEU 83 1HD2 LEU 83 -7.516 -0.992 3.973 654 HD23 LEU 83 2HD2 LEU 83 -5.898 -0.983 3.280 655 H LYS 84 H LYS 84 -3.762 -2.156 8.993 656 HA LYS 84 HA LYS 84 -2.904 -4.645 7.661 657 HB2 LYS 84 2HB LYS 84 -1.601 -3.799 9.659 658 HB3 LYS 84 3HB LYS 84 -3.039 -4.006 10.649 659 HG2 LYS 84 2HG LYS 84 -1.662 -5.913 11.045 660 HG3 LYS 84 3HG LYS 84 -2.997 -6.464 10.036 661 HD2 LYS 84 2HD LYS 84 -1.015 -7.494 9.188 662 HD3 LYS 84 3HD LYS 84 -1.455 -6.229 8.038 663 HE2 LYS 84 2HE LYS 84 0.948 -6.212 8.397 664 HE3 LYS 84 3HE LYS 84 0.254 -4.740 9.074 665 HZ1 LYS 84 3HZ LYS 84 1.925 -5.757 10.515 666 HZ2 LYS 84 1HZ LYS 84 0.994 -7.162 10.627 667 HZ3 LYS 84 2HZ LYS 84 0.416 -5.712 11.272 668 H SER 85 H SER 85 -4.691 -5.579 6.832 669 HA SER 85 HA SER 85 -6.739 -6.672 8.513 670 HB2 SER 85 2HB SER 85 -7.686 -4.388 8.339 671 HB3 SER 85 3HB SER 85 -7.556 -4.439 6.584 672 HG SER 85 HG SER 85 -9.263 -5.970 8.265 673 H THR 86 H THR 86 -8.015 -8.201 7.401 674 HA THR 86 HA THR 86 -7.215 -8.883 4.623 675 HB THR 86 HB THR 86 -7.691 -11.275 5.249 676 HG1 THR 86 HG1 THR 86 -8.928 -11.357 7.005 677 HG21 THR 86 3HG2 THR 86 -5.615 -9.950 7.038 678 HG22 THR 86 1HG2 THR 86 -5.358 -10.438 5.361 679 HG23 THR 86 2HG2 THR 86 -5.661 -11.658 6.597 680 H ASP 87 H ASP 87 -9.605 -7.431 6.200 681 HA ASP 87 HA ASP 87 -11.935 -8.873 5.218 682 HB2 ASP 87 2HB ASP 87 -11.716 -6.111 6.511 683 HB3 ASP 87 3HB ASP 87 -13.213 -6.987 6.206 684 HA PRO 88 HA PRO 88 -11.279 -6.999 1.112 685 HB2 PRO 88 2HB PRO 88 -14.136 -7.828 0.649 686 HB3 PRO 88 3HB PRO 88 -12.680 -8.202 -0.301 687 HG2 PRO 88 2HG PRO 88 -13.807 -10.055 1.245 688 HG3 PRO 88 3HG PRO 88 -12.042 -9.944 1.081 689 HD2 PRO 88 2HD PRO 88 -13.787 -9.059 3.364 690 HD3 PRO 88 3HD PRO 88 -12.176 -9.816 3.399 691 H GLU 89 H GLU 89 -14.453 -6.551 2.652 692 HA GLU 89 HA GLU 89 -15.246 -4.165 1.432 693 HB2 GLU 89 2HB GLU 89 -16.832 -3.933 3.362 694 HB3 GLU 89 3HB GLU 89 -16.838 -5.531 2.626 695 HG2 GLU 89 2HG GLU 89 -15.390 -6.369 4.483 696 HG3 GLU 89 3HG GLU 89 -15.468 -4.776 5.230 697 H GLU 90 H GLU 90 -13.312 -4.663 4.371 698 HA GLU 90 HA GLU 90 -13.244 -1.955 5.248 699 HB2 GLU 90 2HB GLU 90 -12.757 -3.816 6.797 700 HB3 GLU 90 3HB GLU 90 -11.349 -4.268 5.847 701 HG2 GLU 90 2HG GLU 90 -10.489 -3.155 7.742 702 HG3 GLU 90 3HG GLU 90 -10.363 -1.991 6.431 703 H LEU 91 H LEU 91 -10.811 -3.990 3.595 704 HA LEU 91 HA LEU 91 -8.808 -2.094 3.238 705 HB2 LEU 91 2HB LEU 91 -9.489 -4.472 1.462 706 HB3 LEU 91 3HB LEU 91 -7.975 -3.586 1.396 707 HG LEU 91 HG LEU 91 -8.944 -5.237 3.767 708 HD11 LEU 91 1HD1 LEU 91 -6.749 -5.863 1.761 709 HD12 LEU 91 2HD1 LEU 91 -8.323 -6.655 1.859 710 HD13 LEU 91 3HD1 LEU 91 -7.172 -6.828 3.181 711 HD21 LEU 91 3HD2 LEU 91 -6.695 -4.892 4.702 712 HD22 LEU 91 1HD2 LEU 91 -7.568 -3.371 4.523 713 HD23 LEU 91 2HD2 LEU 91 -6.302 -3.803 3.372 714 H THR 92 H THR 92 -11.608 -2.827 1.174 715 HA THR 92 HA THR 92 -10.880 -1.254 -1.085 716 HB THR 92 HB THR 92 -13.628 -2.271 -0.216 717 HG1 THR 92 HG1 THR 92 -11.726 -3.735 -0.838 718 HG21 THR 92 3HG2 THR 92 -12.756 -1.191 -2.930 719 HG22 THR 92 1HG2 THR 92 -13.922 -0.437 -1.839 720 HG23 THR 92 2HG2 THR 92 -14.296 -1.986 -2.600 721 H GLN 93 H GLN 93 -13.073 -0.599 1.694 722 HA GLN 93 HA GLN 93 -13.917 1.933 0.661 723 HB2 GLN 93 2HB GLN 93 -15.266 2.151 2.595 724 HB3 GLN 93 3HB GLN 93 -15.277 0.448 2.182 725 HG2 GLN 93 2HG GLN 93 -14.999 0.190 4.427 726 HG3 GLN 93 3HG GLN 93 -13.298 0.429 4.041 727 HE21 GLN 93 1HE2 GLN 93 -16.159 1.910 5.393 728 HE22 GLN 93 2HE2 GLN 93 -15.355 3.220 6.185 729 H ARG 94 H ARG 94 -11.368 0.907 2.876 730 HA ARG 94 HA ARG 94 -10.619 3.464 3.841 731 HB2 ARG 94 2HB ARG 94 -8.945 0.936 3.577 732 HB3 ARG 94 3HB ARG 94 -8.431 2.378 4.445 733 HG2 ARG 94 2HG ARG 94 -10.863 0.711 5.159 734 HG3 ARG 94 3HG ARG 94 -9.281 0.559 5.913 735 HD2 ARG 94 2HD ARG 94 -9.452 2.796 6.845 736 HD3 ARG 94 3HD ARG 94 -10.963 3.087 5.971 737 HE ARG 94 HE ARG 94 -10.958 0.790 7.739 738 HH11 ARG 94 1HH1 ARG 94 -11.800 4.203 7.495 739 HH12 ARG 94 2HH1 ARG 94 -12.909 4.123 8.826 740 HH21 ARG 94 1HH2 ARG 94 -12.422 0.700 9.410 741 HH22 ARG 94 2HH2 ARG 94 -13.261 2.138 9.911 742 H VAL 95 H VAL 95 -9.955 1.863 0.774 743 HA VAL 95 HA VAL 95 -7.739 3.406 -0.062 744 HB VAL 95 HB VAL 95 -9.937 2.247 -1.853 745 HG11 VAL 95 1HG1 VAL 95 -8.282 2.410 -3.698 746 HG12 VAL 95 2HG1 VAL 95 -7.148 3.220 -2.614 747 HG13 VAL 95 3HG1 VAL 95 -8.675 3.997 -3.035 748 HG21 VAL 95 3HG2 VAL 95 -8.813 0.479 -0.563 749 HG22 VAL 95 1HG2 VAL 95 -7.235 1.055 -1.106 750 HG23 VAL 95 2HG2 VAL 95 -8.375 0.368 -2.267 751 H ARG 96 H ARG 96 -11.271 3.941 -0.758 752 HA ARG 96 HA ARG 96 -10.853 6.500 -1.955 753 HB2 ARG 96 2HB ARG 96 -13.326 6.839 -1.767 754 HB3 ARG 96 3HB ARG 96 -12.869 5.336 -2.552 755 HG2 ARG 96 2HG ARG 96 -13.390 4.076 -0.505 756 HG3 ARG 96 3HG ARG 96 -13.825 5.578 0.322 757 HD2 ARG 96 2HD ARG 96 -15.814 4.332 -0.470 758 HD3 ARG 96 3HD ARG 96 -15.695 5.922 -1.228 759 HE ARG 96 HE ARG 96 -14.513 4.442 -3.079 760 HH11 ARG 96 1HH1 ARG 96 -17.522 3.749 -1.370 761 HH12 ARG 96 2HH1 ARG 96 -18.193 2.834 -2.688 762 HH21 ARG 96 1HH2 ARG 96 -15.406 3.259 -4.784 763 HH22 ARG 96 2HH2 ARG 96 -16.984 2.559 -4.625 764 H GLU 97 H GLU 97 -11.609 5.516 1.365 765 HA GLU 97 HA GLU 97 -12.104 8.065 2.459 766 HB2 GLU 97 2HB GLU 97 -10.985 5.552 3.769 767 HB3 GLU 97 3HB GLU 97 -11.428 7.003 4.661 768 HG2 GLU 97 2HG GLU 97 -13.279 5.218 3.069 769 HG3 GLU 97 3HG GLU 97 -13.214 5.382 4.821 770 H PHE 98 H PHE 98 -9.079 6.246 1.988 771 HA PHE 98 HA PHE 98 -7.323 8.094 3.207 772 HB2 PHE 98 2HB PHE 98 -6.549 5.800 2.711 773 HB3 PHE 98 3HB PHE 98 -6.718 6.086 0.978 774 HD1 PHE 98 HD1 PHE 98 -4.892 7.307 4.009 775 HD2 PHE 98 HD2 PHE 98 -4.853 6.973 -0.253 776 HE1 PHE 98 HE1 PHE 98 -2.619 8.234 3.955 777 HE2 PHE 98 HE2 PHE 98 -2.574 7.895 -0.295 778 HZ PHE 98 HZ PHE 98 -1.466 8.532 1.806 779 H LEU 99 H LEU 99 -8.084 7.573 -0.268 780 HA LEU 99 HA LEU 99 -6.403 9.532 -1.338 781 HB2 LEU 99 2HB LEU 99 -9.036 8.569 -2.523 782 HB3 LEU 99 3HB LEU 99 -7.718 9.322 -3.410 783 HG LEU 99 HG LEU 99 -7.667 6.586 -2.093 784 HD11 LEU 99 1HD1 LEU 99 -7.639 7.321 -5.030 785 HD12 LEU 99 2HD1 LEU 99 -8.992 6.616 -4.141 786 HD13 LEU 99 3HD1 LEU 99 -7.511 5.689 -4.366 787 HD21 LEU 99 3HD2 LEU 99 -5.425 6.307 -3.105 788 HD22 LEU 99 1HD2 LEU 99 -5.468 7.565 -1.870 789 HD23 LEU 99 2HD2 LEU 99 -5.444 8.006 -3.578 790 H LYS 100 H LYS 100 -9.666 9.812 -0.090 791 HA LYS 100 HA LYS 100 -10.154 12.473 -1.098 792 HB2 LYS 100 2HB LYS 100 -12.031 10.963 -0.857 793 HB3 LYS 100 3HB LYS 100 -11.682 10.704 0.849 794 HG2 LYS 100 2HG LYS 100 -12.272 13.019 1.354 795 HG3 LYS 100 3HG LYS 100 -12.542 13.353 -0.358 796 HD2 LYS 100 2HD LYS 100 -14.513 12.015 -0.423 797 HD3 LYS 100 3HD LYS 100 -14.121 11.206 1.097 798 HE2 LYS 100 2HE LYS 100 -14.920 14.121 0.786 799 HE3 LYS 100 3HE LYS 100 -15.927 12.821 1.429 800 HZ1 LYS 100 3HZ LYS 100 -15.009 14.017 3.253 801 HZ2 LYS 100 1HZ LYS 100 -13.439 13.910 2.628 802 HZ3 LYS 100 2HZ LYS 100 -14.218 12.521 3.192 803 H THR 101 H THR 101 -9.285 11.090 2.136 804 HA THR 101 HA THR 101 -9.339 13.706 3.408 805 HB THR 101 HB THR 101 -9.866 11.553 4.649 806 HG1 THR 101 HG1 THR 101 -8.006 13.461 5.635 807 HG21 THR 101 3HG2 THR 101 -8.019 10.263 5.638 808 HG22 THR 101 1HG2 THR 101 -6.845 11.208 4.719 809 HG23 THR 101 2HG2 THR 101 -7.978 10.150 3.878 810 H ALA 102 H ALA 102 -6.996 11.829 1.753 811 HA ALA 102 HA ALA 102 -4.612 13.102 2.816 812 HB1 ALA 102 3HB ALA 102 -3.451 11.686 1.135 813 HB2 ALA 102 1HB ALA 102 -5.018 11.161 0.510 814 HB3 ALA 102 2HB ALA 102 -4.538 10.744 2.156 815 H GLY 103 H GLY 103 -6.436 13.006 -0.228 816 HA2 GLY 103 2HA GLY 103 -5.174 15.470 -1.230 817 HA3 GLY 103 3HA GLY 103 -6.268 14.400 -2.105 818 H SER 104 H SER 104 -6.789 15.667 1.158 819 HA SER 104 HA SER 104 -9.317 16.879 0.391 820 HB2 SER 104 2HB SER 104 -9.141 15.651 2.552 821 HB3 SER 104 3HB SER 104 -7.917 16.792 3.109 822 HG SER 104 HG SER 104 -9.514 17.982 3.768 823 H LEU 105 H LEU 105 -8.256 18.339 -1.130 824 HA LEU 105 HA LEU 105 -6.747 20.582 -0.077 825 HB2 LEU 105 2HB LEU 105 -7.928 20.096 -2.848 826 HB3 LEU 105 3HB LEU 105 -6.940 21.482 -2.419 827 HG LEU 105 HG LEU 105 -6.046 18.573 -2.533 828 HD11 LEU 105 1HD1 LEU 105 -6.192 19.620 -4.734 829 HD12 LEU 105 2HD1 LEU 105 -4.512 19.330 -4.296 830 HD13 LEU 105 3HD1 LEU 105 -5.177 20.963 -4.193 831 HD21 LEU 105 3HD2 LEU 105 -3.784 19.373 -1.924 832 HD22 LEU 105 1HD2 LEU 105 -4.952 19.588 -0.623 833 HD23 LEU 105 2HD2 LEU 105 -4.450 20.975 -1.592 834 H GLU 106 H GLU 106 -7.827 21.778 1.263 835 HA GLU 106 HA GLU 106 -10.664 22.332 1.113 836 HB2 GLU 106 2HB GLU 106 -8.512 23.289 3.048 837 HB3 GLU 106 3HB GLU 106 -10.247 23.505 3.271 838 HG2 GLU 106 2HG GLU 106 -10.543 21.056 3.423 839 HG3 GLU 106 3HG GLU 106 -8.815 20.837 3.139 840 H HIS 107 H HIS 107 -8.471 23.486 -0.809 841 HA HIS 107 HA HIS 107 -8.249 25.242 -2.181 842 HB2 HIS 107 2HB HIS 107 -10.850 26.177 -0.906 843 HB3 HIS 107 3HB HIS 107 -10.079 26.993 -2.260 844 HD1 HIS 107 HD1 HIS 107 -11.189 26.415 -4.393 845 HD2 HIS 107 HD2 HIS 107 -11.238 23.197 -1.755 846 HE1 HIS 107 HE1 HIS 107 -12.454 24.595 -5.568 847 HE2 HIS 107 HE2 HIS 107 -12.390 22.635 -3.997 848 H HIS 108 H HIS 108 -7.421 25.317 0.839 849 HA HIS 108 HA HIS 108 -6.327 28.050 0.808 850 HB2 HIS 108 2HB HIS 108 -7.845 26.783 3.140 851 HB3 HIS 108 3HB HIS 108 -6.739 28.136 3.361 852 HD1 HIS 108 HD1 HIS 108 -7.611 30.447 2.826 853 HD2 HIS 108 HD2 HIS 108 -10.258 27.448 1.696 854 HE1 HIS 108 HE1 HIS 108 -9.748 31.619 2.238 855 HE2 HIS 108 HE2 HIS 108 -11.387 29.774 1.768 856 H HIS 109 H HIS 109 -4.365 28.248 1.923 857 HA HIS 109 HA HIS 109 -2.684 25.945 2.185 858 HB2 HIS 109 2HB HIS 109 -1.828 28.200 1.544 859 HB3 HIS 109 3HB HIS 109 -2.274 28.828 3.125 860 HD1 HIS 109 HD1 HIS 109 0.220 26.554 1.448 861 HD2 HIS 109 HD2 HIS 109 -0.372 28.395 5.128 862 HE1 HIS 109 HE1 HIS 109 2.344 26.205 2.727 863 HE2 HIS 109 HE2 HIS 109 1.868 27.106 5.016 864 H HIS 110 H HIS 110 -1.808 25.080 4.139 865 HA HIS 110 HA HIS 110 -3.121 25.808 6.697 866 HB2 HIS 110 2HB HIS 110 -2.672 23.002 5.586 867 HB3 HIS 110 3HB HIS 110 -3.033 23.320 7.282 868 HD1 HIS 110 HD1 HIS 110 -4.588 23.578 3.846 869 HD2 HIS 110 HD2 HIS 110 -5.730 23.810 7.841 870 HE1 HIS 110 HE1 HIS 110 -7.090 23.721 3.829 871 HE2 HIS 110 HE2 HIS 110 -7.749 23.576 6.240 872 H HIS 111 H HIS 111 -1.830 25.563 8.552 873 HA HIS 111 HA HIS 111 0.980 26.003 8.180 874 HB2 HIS 111 2HB HIS 111 -0.393 27.040 10.044 875 HB3 HIS 111 3HB HIS 111 -0.480 25.456 10.813 876 HD1 HIS 111 HD1 HIS 111 1.158 25.354 12.686 877 HD2 HIS 111 HD2 HIS 111 2.621 27.621 9.529 878 HE1 HIS 111 HE1 HIS 111 3.441 26.114 13.400 879 HE2 HIS 111 HE2 HIS 111 4.285 27.511 11.497 880 H HIS 112 H HIS 112 -0.949 23.386 9.597 881 HA HIS 112 HA HIS 112 1.270 21.490 9.523 882 HB2 HIS 112 2HB HIS 112 -0.316 21.420 11.439 883 HB3 HIS 112 3HB HIS 112 -1.661 21.112 10.341 884 HD1 HIS 112 HD1 HIS 112 1.577 19.510 11.494 885 HD2 HIS 112 HD2 HIS 112 -2.078 18.415 9.835 886 HE1 HIS 112 HE1 HIS 112 1.570 17.006 11.467 887 HE2 HIS 112 HE2 HIS 112 -0.536 16.379 10.264 Start of MODEL 12 1 H1 MET 1 1H MET 1 2.021 16.363 -2.409 2 H2 MET 1 2H MET 1 3.459 16.900 -1.709 3 H3 MET 1 3H MET 1 2.010 17.705 -1.383 4 HA MET 1 HA MET 1 2.696 16.316 0.467 5 HB2 MET 1 2HB MET 1 0.192 15.388 -1.009 6 HB3 MET 1 3HB MET 1 0.550 14.961 0.661 7 HG2 MET 1 2HG MET 1 -1.054 16.782 0.582 8 HG3 MET 1 3HG MET 1 0.461 17.353 1.283 9 HE1 MET 1 3HE MET 1 -0.882 20.538 -0.634 10 HE2 MET 1 1HE MET 1 -0.286 19.932 0.912 11 HE3 MET 1 2HE MET 1 -1.822 19.349 0.268 12 H GLY 2 H GLY 2 2.623 13.965 1.256 13 HA2 GLY 2 2HA GLY 2 3.296 11.888 -0.682 14 HA3 GLY 2 3HA GLY 2 4.622 12.412 0.355 15 H LYS 3 H LYS 3 1.449 10.914 0.273 16 HA LYS 3 HA LYS 3 1.962 9.595 2.875 17 HB2 LYS 3 2HB LYS 3 0.205 11.437 3.074 18 HB3 LYS 3 3HB LYS 3 -0.789 10.541 1.932 19 HG2 LYS 3 2HG LYS 3 -0.912 8.641 3.514 20 HG3 LYS 3 3HG LYS 3 0.109 9.520 4.654 21 HD2 LYS 3 2HD LYS 3 -1.677 11.321 4.731 22 HD3 LYS 3 3HD LYS 3 -2.699 10.267 3.750 23 HE2 LYS 3 2HE LYS 3 -1.612 9.587 6.506 24 HE3 LYS 3 3HE LYS 3 -3.250 10.135 6.162 25 HZ1 LYS 3 3HZ LYS 3 -2.028 7.618 5.168 26 HZ2 LYS 3 1HZ LYS 3 -3.606 8.140 4.847 27 HZ3 LYS 3 2HZ LYS 3 -3.149 7.749 6.425 28 H VAL 4 H VAL 4 1.415 7.406 2.923 29 HA VAL 4 HA VAL 4 0.263 6.211 0.481 30 HB VAL 4 HB VAL 4 2.722 6.066 0.278 31 HG11 VAL 4 1HG1 VAL 4 2.680 4.400 2.804 32 HG12 VAL 4 2HG1 VAL 4 3.361 6.022 2.639 33 HG13 VAL 4 3HG1 VAL 4 4.078 4.671 1.759 34 HG21 VAL 4 3HG2 VAL 4 2.901 3.649 -0.183 35 HG22 VAL 4 1HG2 VAL 4 1.371 4.316 -0.754 36 HG23 VAL 4 2HG2 VAL 4 1.417 3.365 0.732 37 H LEU 5 H LEU 5 -0.902 4.334 0.771 38 HA LEU 5 HA LEU 5 -1.547 3.529 3.540 39 HB2 LEU 5 2HB LEU 5 -3.435 4.389 2.147 40 HB3 LEU 5 3HB LEU 5 -3.138 3.124 0.969 41 HG LEU 5 HG LEU 5 -3.723 1.404 2.708 42 HD11 LEU 5 1HD1 LEU 5 -3.147 2.633 4.722 43 HD12 LEU 5 2HD1 LEU 5 -4.819 2.083 4.792 44 HD13 LEU 5 3HD1 LEU 5 -4.462 3.778 4.439 45 HD21 LEU 5 3HD2 LEU 5 -5.911 3.454 2.224 46 HD22 LEU 5 1HD2 LEU 5 -6.148 1.763 2.681 47 HD23 LEU 5 2HD2 LEU 5 -5.437 2.161 1.119 48 H LEU 6 H LEU 6 -0.110 1.956 3.993 49 HA LEU 6 HA LEU 6 0.680 -0.132 2.157 50 HB2 LEU 6 2HB LEU 6 2.230 0.841 3.878 51 HB3 LEU 6 3HB LEU 6 1.206 0.201 5.152 52 HG LEU 6 HG LEU 6 1.750 -2.130 4.375 53 HD11 LEU 6 1HD1 LEU 6 3.603 -2.487 2.814 54 HD12 LEU 6 2HD1 LEU 6 3.662 -0.754 2.480 55 HD13 LEU 6 3HD1 LEU 6 2.230 -1.693 2.045 56 HD21 LEU 6 3HD2 LEU 6 4.045 -2.209 5.254 57 HD22 LEU 6 1HD2 LEU 6 3.038 -1.132 6.220 58 HD23 LEU 6 2HD2 LEU 6 4.194 -0.459 5.072 59 H VAL 7 H VAL 7 -1.236 -1.198 1.644 60 HA VAL 7 HA VAL 7 -3.042 -2.278 3.632 61 HB VAL 7 HB VAL 7 -2.926 -2.787 0.619 62 HG11 VAL 7 1HG1 VAL 7 -5.149 -3.445 2.595 63 HG12 VAL 7 2HG1 VAL 7 -4.121 -4.608 1.755 64 HG13 VAL 7 3HG1 VAL 7 -5.254 -3.613 0.840 65 HG21 VAL 7 3HG2 VAL 7 -4.681 -0.859 2.187 66 HG22 VAL 7 1HG2 VAL 7 -4.790 -1.175 0.452 67 HG23 VAL 7 2HG2 VAL 7 -3.343 -0.418 1.123 68 H ILE 8 H ILE 8 -2.305 -3.865 4.829 69 HA ILE 8 HA ILE 8 -0.803 -6.143 3.711 70 HB ILE 8 HB ILE 8 -1.064 -5.296 6.642 71 HG12 ILE 8 2HG1 ILE 8 1.187 -4.788 4.650 72 HG13 ILE 8 3HG1 ILE 8 0.255 -3.595 5.537 73 HG21 ILE 8 1HG2 ILE 8 0.710 -6.948 7.093 74 HG22 ILE 8 2HG2 ILE 8 0.729 -7.410 5.389 75 HG23 ILE 8 3HG2 ILE 8 -0.704 -7.719 6.370 76 HD11 ILE 8 3HD1 ILE 8 1.316 -4.347 7.618 77 HD12 ILE 8 1HD1 ILE 8 2.477 -3.771 6.423 78 HD13 ILE 8 2HD1 ILE 8 2.280 -5.502 6.693 79 H SER 9 H SER 9 -1.966 -7.971 3.459 80 HA SER 9 HA SER 9 -3.782 -8.829 5.615 81 HB2 SER 9 2HB SER 9 -4.387 -9.437 2.685 82 HB3 SER 9 3HB SER 9 -5.415 -9.743 4.079 83 HG SER 9 HG SER 9 -5.222 -7.278 4.266 84 H THR 10 H THR 10 -3.879 -11.174 5.771 85 HA THR 10 HA THR 10 -1.446 -12.559 5.208 86 HB THR 10 HB THR 10 -2.675 -14.558 6.124 87 HG1 THR 10 HG1 THR 10 -4.770 -14.342 5.590 88 HG21 THR 10 3HG2 THR 10 -1.611 -12.986 7.727 89 HG22 THR 10 1HG2 THR 10 -3.076 -13.706 8.398 90 HG23 THR 10 2HG2 THR 10 -3.105 -12.049 7.790 91 H ASP 11 H ASP 11 -4.774 -12.762 3.962 92 HA ASP 11 HA ASP 11 -4.191 -14.811 2.005 93 HB2 ASP 11 2HB ASP 11 -6.726 -13.132 2.302 94 HB3 ASP 11 3HB ASP 11 -6.570 -14.664 1.447 95 H THR 12 H THR 12 -3.282 -14.365 0.080 96 HA THR 12 HA THR 12 -3.025 -11.817 -1.124 97 HB THR 12 HB THR 12 -2.358 -13.133 -3.207 98 HG1 THR 12 HG1 THR 12 -2.104 -15.539 -2.010 99 HG21 THR 12 3HG2 THR 12 -0.984 -13.895 -0.606 100 HG22 THR 12 1HG2 THR 12 -0.641 -12.480 -1.609 101 HG23 THR 12 2HG2 THR 12 -0.298 -14.100 -2.219 102 H ASN 13 H ASN 13 -5.522 -14.244 -1.247 103 HA ASN 13 HA ASN 13 -6.781 -13.552 -3.674 104 HB2 ASN 13 2HB ASN 13 -8.053 -14.806 -1.205 105 HB3 ASN 13 3HB ASN 13 -8.705 -14.848 -2.840 106 HD21 ASN 13 1HD2 ASN 13 -6.065 -15.386 -4.104 107 HD22 ASN 13 2HD2 ASN 13 -5.687 -17.016 -3.699 108 H ILE 14 H ILE 14 -7.345 -12.491 -0.320 109 HA ILE 14 HA ILE 14 -9.511 -10.733 -0.778 110 HB ILE 14 HB ILE 14 -7.363 -10.631 1.395 111 HG12 ILE 14 2HG1 ILE 14 -8.654 -12.742 1.440 112 HG13 ILE 14 3HG1 ILE 14 -9.018 -11.762 2.852 113 HG21 ILE 14 1HG2 ILE 14 -8.438 -8.435 1.217 114 HG22 ILE 14 2HG2 ILE 14 -8.943 -9.235 2.707 115 HG23 ILE 14 3HG2 ILE 14 -10.035 -9.178 1.323 116 HD11 ILE 14 3HD1 ILE 14 -11.004 -12.827 2.001 117 HD12 ILE 14 1HD1 ILE 14 -10.767 -12.102 0.414 118 HD13 ILE 14 2HD1 ILE 14 -11.143 -11.082 1.805 119 H ILE 15 H ILE 15 -5.997 -10.216 -0.647 120 HA ILE 15 HA ILE 15 -5.899 -7.431 -1.010 121 HB ILE 15 HB ILE 15 -3.827 -9.553 -1.745 122 HG12 ILE 15 2HG1 ILE 15 -4.049 -7.820 0.753 123 HG13 ILE 15 3HG1 ILE 15 -4.569 -9.497 0.655 124 HG21 ILE 15 1HG2 ILE 15 -2.131 -7.751 -1.643 125 HG22 ILE 15 2HG2 ILE 15 -3.409 -6.558 -1.395 126 HG23 ILE 15 3HG2 ILE 15 -3.315 -7.442 -2.918 127 HD11 ILE 15 3HD1 ILE 15 -2.267 -10.175 0.206 128 HD12 ILE 15 1HD1 ILE 15 -2.442 -9.328 1.741 129 HD13 ILE 15 2HD1 ILE 15 -1.752 -8.491 0.350 130 H SER 16 H SER 16 -5.776 -10.092 -3.369 131 HA SER 16 HA SER 16 -5.180 -8.504 -5.643 132 HB2 SER 16 2HB SER 16 -6.281 -11.343 -5.446 133 HB3 SER 16 3HB SER 16 -5.658 -10.592 -6.915 134 HG SER 16 HG SER 16 -3.680 -10.243 -5.543 135 H SER 17 H SER 17 -8.199 -9.805 -4.246 136 HA SER 17 HA SER 17 -10.006 -8.972 -6.225 137 HB2 SER 17 2HB SER 17 -10.435 -9.138 -3.205 138 HB3 SER 17 3HB SER 17 -11.728 -8.960 -4.398 139 HG SER 17 HG SER 17 -10.441 -11.187 -3.603 140 H VAL 18 H VAL 18 -9.120 -7.305 -3.196 141 HA VAL 18 HA VAL 18 -10.534 -4.930 -3.648 142 HB VAL 18 HB VAL 18 -8.074 -5.403 -1.901 143 HG11 VAL 18 1HG1 VAL 18 -10.058 -3.096 -1.783 144 HG12 VAL 18 2HG1 VAL 18 -8.378 -2.987 -2.309 145 HG13 VAL 18 3HG1 VAL 18 -8.751 -3.395 -0.637 146 HG21 VAL 18 3HG2 VAL 18 -11.027 -5.459 -1.176 147 HG22 VAL 18 1HG2 VAL 18 -9.680 -5.694 -0.057 148 HG23 VAL 18 2HG2 VAL 18 -9.978 -6.870 -1.338 149 H GLN 19 H GLN 19 -7.236 -5.847 -4.495 150 HA GLN 19 HA GLN 19 -6.178 -3.280 -5.049 151 HB2 GLN 19 2HB GLN 19 -4.743 -5.218 -4.574 152 HB3 GLN 19 3HB GLN 19 -5.311 -6.034 -6.024 153 HG2 GLN 19 2HG GLN 19 -4.258 -4.244 -7.401 154 HG3 GLN 19 3HG GLN 19 -3.642 -3.503 -5.925 155 HE21 GLN 19 1HE2 GLN 19 -2.960 -6.020 -4.603 156 HE22 GLN 19 2HE2 GLN 19 -1.567 -6.619 -5.426 157 H GLU 20 H GLU 20 -7.286 -5.893 -7.226 158 HA GLU 20 HA GLU 20 -6.928 -4.442 -9.647 159 HB2 GLU 20 2HB GLU 20 -8.649 -6.887 -9.065 160 HB3 GLU 20 3HB GLU 20 -8.251 -6.295 -10.675 161 HG2 GLU 20 2HG GLU 20 -5.862 -6.727 -10.253 162 HG3 GLU 20 3HG GLU 20 -6.246 -7.310 -8.635 163 H ARG 21 H ARG 21 -9.742 -5.043 -7.563 164 HA ARG 21 HA ARG 21 -11.710 -3.705 -9.083 165 HB2 ARG 21 2HB ARG 21 -11.522 -4.110 -6.068 166 HB3 ARG 21 3HB ARG 21 -12.934 -3.426 -6.867 167 HG2 ARG 21 2HG ARG 21 -13.312 -5.538 -8.061 168 HG3 ARG 21 3HG ARG 21 -11.856 -6.226 -7.335 169 HD2 ARG 21 2HD ARG 21 -12.923 -5.805 -5.062 170 HD3 ARG 21 3HD ARG 21 -14.414 -5.404 -5.924 171 HE ARG 21 HE ARG 21 -13.619 -7.907 -6.831 172 HH11 ARG 21 1HH1 ARG 21 -14.628 -6.502 -3.751 173 HH12 ARG 21 2HH1 ARG 21 -15.275 -7.994 -3.146 174 HH21 ARG 21 1HH2 ARG 21 -14.422 -9.863 -5.999 175 HH22 ARG 21 2HH2 ARG 21 -15.154 -9.898 -4.426 176 H ALA 22 H ALA 22 -9.373 -2.547 -6.659 177 HA ALA 22 HA ALA 22 -10.397 0.103 -6.409 178 HB1 ALA 22 3HB ALA 22 -8.983 -0.910 -4.660 179 HB2 ALA 22 1HB ALA 22 -8.299 0.615 -5.226 180 HB3 ALA 22 2HB ALA 22 -7.605 -0.921 -5.762 181 H LYS 23 H LYS 23 -7.909 -1.384 -8.401 182 HA LYS 23 HA LYS 23 -6.885 0.993 -9.603 183 HB2 LYS 23 2HB LYS 23 -6.739 -1.949 -10.388 184 HB3 LYS 23 3HB LYS 23 -5.904 -0.681 -11.278 185 HG2 LYS 23 2HG LYS 23 -4.512 -0.158 -9.357 186 HG3 LYS 23 3HG LYS 23 -5.443 -1.247 -8.333 187 HD2 LYS 23 2HD LYS 23 -3.417 -2.402 -8.842 188 HD3 LYS 23 3HD LYS 23 -4.663 -3.164 -9.825 189 HE2 LYS 23 2HE LYS 23 -2.736 -1.060 -10.867 190 HE3 LYS 23 3HE LYS 23 -2.455 -2.792 -10.983 191 HZ1 LYS 23 3HZ LYS 23 -4.707 -1.311 -12.246 192 HZ2 LYS 23 1HZ LYS 23 -4.469 -2.985 -12.320 193 HZ3 LYS 23 2HZ LYS 23 -3.350 -1.942 -13.030 194 H HIS 24 H HIS 24 -9.575 -1.118 -10.262 195 HA HIS 24 HA HIS 24 -10.198 -0.013 -12.884 196 HB2 HIS 24 2HB HIS 24 -10.552 -2.418 -12.459 197 HB3 HIS 24 3HB HIS 24 -11.643 -2.048 -11.130 198 HD1 HIS 24 HD1 HIS 24 -11.459 -2.082 -14.891 199 HD2 HIS 24 HD2 HIS 24 -14.281 -1.431 -11.902 200 HE1 HIS 24 HE1 HIS 24 -13.689 -2.067 -16.048 201 HE2 HIS 24 HE2 HIS 24 -15.376 -1.736 -14.215 202 H ASN 25 H ASN 25 -11.275 0.363 -9.542 203 HA ASN 25 HA ASN 25 -13.797 1.675 -10.279 204 HB2 ASN 25 2HB ASN 25 -13.633 -0.093 -8.437 205 HB3 ASN 25 3HB ASN 25 -12.749 1.083 -7.472 206 HD21 ASN 25 1HD2 ASN 25 -14.318 1.076 -5.864 207 HD22 ASN 25 2HD2 ASN 25 -15.880 1.789 -6.061 208 H TYR 26 H TYR 26 -10.640 2.434 -8.983 209 HA TYR 26 HA TYR 26 -11.260 5.328 -9.152 210 HB2 TYR 26 2HB TYR 26 -9.037 4.489 -7.289 211 HB3 TYR 26 3HB TYR 26 -10.151 5.838 -7.156 212 HD1 TYR 26 HD1 TYR 26 -12.692 5.161 -6.533 213 HD2 TYR 26 HD2 TYR 26 -9.295 2.667 -5.832 214 HE1 TYR 26 HE1 TYR 26 -13.969 3.861 -4.872 215 HE2 TYR 26 HE2 TYR 26 -10.574 1.384 -4.185 216 HH TYR 26 HH TYR 26 -12.483 1.541 -2.800 217 HA PRO 27 HA PRO 27 -7.798 3.667 -11.951 218 HB2 PRO 27 2HB PRO 27 -8.772 4.283 -14.417 219 HB3 PRO 27 3HB PRO 27 -9.360 2.877 -13.504 220 HG2 PRO 27 2HG PRO 27 -10.636 5.575 -13.818 221 HG3 PRO 27 3HG PRO 27 -11.383 3.962 -13.892 222 HD2 PRO 27 2HD PRO 27 -11.447 5.565 -11.648 223 HD3 PRO 27 3HD PRO 27 -11.558 3.794 -11.597 224 H GLY 28 H GLY 28 -9.253 6.808 -11.696 225 HA2 GLY 28 2HA GLY 28 -7.222 8.289 -13.134 226 HA3 GLY 28 3HA GLY 28 -8.511 8.943 -12.134 227 H ARG 29 H ARG 29 -7.610 7.089 -9.900 228 HA ARG 29 HA ARG 29 -5.605 8.885 -8.733 229 HB2 ARG 29 2HB ARG 29 -7.520 6.837 -7.597 230 HB3 ARG 29 3HB ARG 29 -6.100 7.284 -6.660 231 HG2 ARG 29 2HG ARG 29 -8.069 8.565 -5.972 232 HG3 ARG 29 3HG ARG 29 -6.806 9.618 -6.608 233 HD2 ARG 29 2HD ARG 29 -9.040 10.309 -7.371 234 HD3 ARG 29 3HD ARG 29 -8.024 9.818 -8.731 235 HE ARG 29 HE ARG 29 -9.738 7.731 -7.649 236 HH11 ARG 29 1HH1 ARG 29 -9.470 10.283 -10.055 237 HH12 ARG 29 2HH1 ARG 29 -10.716 9.619 -11.069 238 HH21 ARG 29 1HH2 ARG 29 -11.451 6.927 -8.978 239 HH22 ARG 29 2HH2 ARG 29 -11.821 7.743 -10.467 240 H GLU 30 H GLU 30 -3.952 7.762 -7.269 241 HA GLU 30 HA GLU 30 -2.417 5.978 -9.036 242 HB2 GLU 30 2HB GLU 30 -1.534 7.944 -6.885 243 HB3 GLU 30 3HB GLU 30 -0.442 6.928 -7.819 244 HG2 GLU 30 2HG GLU 30 -2.222 9.130 -8.886 245 HG3 GLU 30 3HG GLU 30 -0.464 9.165 -8.737 246 H ILE 31 H ILE 31 -1.959 3.980 -8.431 247 HA ILE 31 HA ILE 31 -2.101 3.110 -5.602 248 HB ILE 31 HB ILE 31 -3.462 1.754 -7.988 249 HG12 ILE 31 2HG1 ILE 31 -4.655 2.947 -5.441 250 HG13 ILE 31 3HG1 ILE 31 -4.734 3.667 -7.044 251 HG21 ILE 31 1HG2 ILE 31 -2.448 0.036 -6.523 252 HG22 ILE 31 2HG2 ILE 31 -4.209 -0.027 -6.461 253 HG23 ILE 31 3HG2 ILE 31 -3.306 0.708 -5.135 254 HD11 ILE 31 3HD1 ILE 31 -6.826 2.650 -6.487 255 HD12 ILE 31 1HD1 ILE 31 -6.043 1.100 -6.171 256 HD13 ILE 31 2HD1 ILE 31 -6.074 1.759 -7.809 257 H ARG 32 H ARG 32 -0.822 1.210 -5.172 258 HA ARG 32 HA ARG 32 1.181 0.415 -7.187 259 HB2 ARG 32 2HB ARG 32 1.713 1.403 -4.361 260 HB3 ARG 32 3HB ARG 32 2.886 0.435 -5.242 261 HG2 ARG 32 2HG ARG 32 1.834 3.127 -6.134 262 HG3 ARG 32 3HG ARG 32 3.368 2.852 -5.313 263 HD2 ARG 32 2HD ARG 32 4.002 1.334 -7.265 264 HD3 ARG 32 3HD ARG 32 2.562 1.942 -8.091 265 HE ARG 32 HE ARG 32 3.571 4.216 -7.843 266 HH11 ARG 32 1HH1 ARG 32 5.672 1.386 -7.916 267 HH12 ARG 32 2HH1 ARG 32 7.047 2.270 -8.494 268 HH21 ARG 32 1HH2 ARG 32 5.427 5.363 -8.546 269 HH22 ARG 32 2HH2 ARG 32 6.904 4.507 -8.849 270 H THR 33 H THR 33 2.582 -1.376 -6.179 271 HA THR 33 HA THR 33 1.217 -3.264 -4.420 272 HB THR 33 HB THR 33 2.124 -4.096 -7.231 273 HG1 THR 33 HG1 THR 33 -0.475 -3.502 -6.236 274 HG21 THR 33 3HG2 THR 33 0.962 -6.211 -6.758 275 HG22 THR 33 1HG2 THR 33 0.521 -5.634 -5.149 276 HG23 THR 33 2HG2 THR 33 2.217 -5.920 -5.552 277 H ALA 34 H ALA 34 2.740 -4.562 -3.350 278 HA ALA 34 HA ALA 34 5.582 -4.331 -4.147 279 HB1 ALA 34 3HB ALA 34 4.474 -4.796 -1.368 280 HB2 ALA 34 1HB ALA 34 5.158 -3.286 -1.970 281 HB3 ALA 34 2HB ALA 34 6.182 -4.714 -1.803 282 H THR 35 H THR 35 5.964 -6.058 -5.310 283 HA THR 35 HA THR 35 5.081 -8.758 -4.623 284 HB THR 35 HB THR 35 6.986 -7.840 -6.834 285 HG1 THR 35 HG1 THR 35 5.117 -6.807 -7.277 286 HG21 THR 35 3HG2 THR 35 6.342 -9.923 -7.988 287 HG22 THR 35 1HG2 THR 35 5.281 -10.367 -6.650 288 HG23 THR 35 2HG2 THR 35 7.029 -10.301 -6.408 289 H SER 36 H SER 36 7.902 -6.681 -4.429 290 HA SER 36 HA SER 36 9.405 -8.560 -2.784 291 HB2 SER 36 2HB SER 36 9.964 -9.123 -5.200 292 HB3 SER 36 3HB SER 36 10.597 -7.491 -5.392 293 HG SER 36 HG SER 36 11.813 -9.652 -4.404 294 H SER 37 H SER 37 11.674 -7.438 -2.328 295 HA SER 37 HA SER 37 11.168 -4.985 -0.972 296 HB2 SER 37 2HB SER 37 13.660 -5.171 -0.390 297 HB3 SER 37 3HB SER 37 12.661 -6.547 0.075 298 HG SER 37 HG SER 37 13.692 -7.776 -1.294 299 H GLN 38 H GLN 38 12.314 -5.652 -4.159 300 HA GLN 38 HA GLN 38 13.668 -3.263 -4.803 301 HB2 GLN 38 2HB GLN 38 13.729 -5.171 -6.310 302 HB3 GLN 38 3HB GLN 38 11.985 -5.159 -6.480 303 HG2 GLN 38 2HG GLN 38 12.983 -4.310 -8.513 304 HG3 GLN 38 3HG GLN 38 12.135 -2.994 -7.707 305 HE21 GLN 38 1HE2 GLN 38 13.341 -1.270 -6.865 306 HE22 GLN 38 2HE2 GLN 38 15.011 -1.033 -7.245 307 H ASP 39 H ASP 39 10.199 -4.140 -4.854 308 HA ASP 39 HA ASP 39 9.139 -1.719 -5.831 309 HB2 ASP 39 2HB ASP 39 7.872 -3.752 -3.940 310 HB3 ASP 39 3HB ASP 39 6.990 -2.416 -4.674 311 H ILE 40 H ILE 40 10.012 -2.725 -2.561 312 HA ILE 40 HA ILE 40 8.809 -0.755 -1.001 313 HB ILE 40 HB ILE 40 11.453 -2.213 -0.580 314 HG12 ILE 40 2HG1 ILE 40 9.612 -3.794 -0.698 315 HG13 ILE 40 3HG1 ILE 40 10.116 -3.679 0.979 316 HG21 ILE 40 1HG2 ILE 40 11.503 -0.231 0.812 317 HG22 ILE 40 2HG2 ILE 40 11.265 -1.653 1.826 318 HG23 ILE 40 3HG2 ILE 40 9.903 -0.597 1.460 319 HD11 ILE 40 3HD1 ILE 40 7.726 -3.835 0.823 320 HD12 ILE 40 1HD1 ILE 40 7.654 -2.440 -0.252 321 HD13 ILE 40 2HD1 ILE 40 8.158 -2.237 1.429 322 H ARG 41 H ARG 41 12.133 -0.743 -2.354 323 HA ARG 41 HA ARG 41 12.792 1.925 -1.611 324 HB2 ARG 41 2HB ARG 41 13.943 0.021 -3.686 325 HB3 ARG 41 3HB ARG 41 14.641 1.607 -3.377 326 HG2 ARG 41 2HG ARG 41 14.328 -0.544 -1.260 327 HG3 ARG 41 3HG ARG 41 15.792 -0.290 -2.213 328 HD2 ARG 41 2HD ARG 41 14.529 1.737 -0.329 329 HD3 ARG 41 3HD ARG 41 15.978 0.775 -0.010 330 HE ARG 41 HE ARG 41 16.607 2.025 -2.307 331 HH11 ARG 41 1HH1 ARG 41 15.494 3.338 0.782 332 HH12 ARG 41 2HH1 ARG 41 16.325 4.844 0.540 333 HH21 ARG 41 1HH2 ARG 41 17.682 3.975 -2.563 334 HH22 ARG 41 2HH2 ARG 41 17.554 5.199 -1.337 335 H ASP 42 H ASP 42 11.442 0.506 -4.541 336 HA ASP 42 HA ASP 42 11.850 2.617 -6.350 337 HB2 ASP 42 2HB ASP 42 11.448 0.322 -7.087 338 HB3 ASP 42 3HB ASP 42 9.852 0.316 -6.351 339 H ILE 43 H ILE 43 8.908 1.669 -4.601 340 HA ILE 43 HA ILE 43 7.136 3.601 -5.609 341 HB ILE 43 HB ILE 43 7.096 1.986 -3.020 342 HG12 ILE 43 2HG1 ILE 43 5.524 1.511 -5.597 343 HG13 ILE 43 3HG1 ILE 43 7.060 0.733 -5.246 344 HG21 ILE 43 1HG2 ILE 43 4.821 3.589 -4.234 345 HG22 ILE 43 2HG2 ILE 43 5.653 3.941 -2.717 346 HG23 ILE 43 3HG2 ILE 43 4.680 2.483 -2.871 347 HD11 ILE 43 3HD1 ILE 43 5.222 -0.752 -4.788 348 HD12 ILE 43 1HD1 ILE 43 4.511 0.412 -3.670 349 HD13 ILE 43 2HD1 ILE 43 6.059 -0.347 -3.291 350 H ILE 44 H ILE 44 8.881 3.491 -2.490 351 HA ILE 44 HA ILE 44 7.922 5.921 -1.424 352 HB ILE 44 HB ILE 44 10.412 4.290 -0.756 353 HG12 ILE 44 2HG1 ILE 44 7.695 4.396 0.649 354 HG13 ILE 44 3HG1 ILE 44 8.183 3.140 -0.483 355 HG21 ILE 44 1HG2 ILE 44 9.172 6.526 0.893 356 HG22 ILE 44 2HG2 ILE 44 10.735 6.585 0.077 357 HG23 ILE 44 3HG2 ILE 44 10.484 5.469 1.419 358 HD11 ILE 44 3HD1 ILE 44 9.972 2.470 1.034 359 HD12 ILE 44 1HD1 ILE 44 8.382 2.380 1.787 360 HD13 ILE 44 2HD1 ILE 44 9.464 3.714 2.181 361 H LYS 45 H LYS 45 10.779 5.160 -3.385 362 HA LYS 45 HA LYS 45 12.019 7.719 -3.223 363 HB2 LYS 45 2HB LYS 45 13.178 5.562 -3.909 364 HB3 LYS 45 3HB LYS 45 12.334 5.659 -5.442 365 HG2 LYS 45 2HG LYS 45 14.408 6.524 -5.995 366 HG3 LYS 45 3HG LYS 45 13.497 7.993 -5.675 367 HD2 LYS 45 2HD LYS 45 15.381 6.660 -3.678 368 HD3 LYS 45 3HD LYS 45 15.835 7.984 -4.743 369 HE2 LYS 45 2HE LYS 45 14.047 9.381 -3.636 370 HE3 LYS 45 3HE LYS 45 13.821 8.067 -2.482 371 HZ1 LYS 45 3HZ LYS 45 15.296 9.819 -1.658 372 HZ2 LYS 45 1HZ LYS 45 16.377 9.523 -2.919 373 HZ3 LYS 45 2HZ LYS 45 16.093 8.332 -1.752 374 H SER 46 H SER 46 9.628 6.271 -5.390 375 HA SER 46 HA SER 46 9.468 8.420 -7.276 376 HB2 SER 46 2HB SER 46 8.763 6.148 -7.887 377 HB3 SER 46 3HB SER 46 7.505 6.169 -6.653 378 HG SER 46 HG SER 46 7.659 7.697 -9.040 379 H MET 47 H MET 47 7.989 7.778 -4.162 380 HA MET 47 HA MET 47 5.878 9.712 -4.280 381 HB2 MET 47 2HB MET 47 7.283 8.509 -1.855 382 HB3 MET 47 3HB MET 47 5.815 9.477 -1.790 383 HG2 MET 47 2HG MET 47 4.733 7.718 -3.266 384 HG3 MET 47 3HG MET 47 6.162 6.728 -2.973 385 HE1 MET 47 3HE MET 47 3.043 8.468 -1.436 386 HE2 MET 47 1HE MET 47 4.355 9.240 -0.540 387 HE3 MET 47 2HE MET 47 3.250 8.144 0.283 388 H LYS 48 H LYS 48 9.198 9.747 -3.024 389 HA LYS 48 HA LYS 48 9.138 12.542 -2.277 390 HB2 LYS 48 2HB LYS 48 11.418 10.549 -2.550 391 HB3 LYS 48 3HB LYS 48 11.640 12.196 -1.978 392 HG2 LYS 48 2HG LYS 48 9.766 10.272 -0.577 393 HG3 LYS 48 3HG LYS 48 11.493 10.307 -0.242 394 HD2 LYS 48 2HD LYS 48 10.593 11.660 1.453 395 HD3 LYS 48 3HD LYS 48 11.171 12.833 0.274 396 HE2 LYS 48 2HE LYS 48 8.834 13.089 -0.554 397 HE3 LYS 48 3HE LYS 48 8.294 11.945 0.674 398 HZ1 LYS 48 3HZ LYS 48 8.989 13.443 2.391 399 HZ2 LYS 48 1HZ LYS 48 7.997 14.295 1.320 400 HZ3 LYS 48 2HZ LYS 48 9.674 14.511 1.277 401 H ASP 49 H ASP 49 9.654 10.835 -5.214 402 HA ASP 49 HA ASP 49 11.349 12.772 -6.515 403 HB2 ASP 49 2HB ASP 49 11.304 10.303 -7.080 404 HB3 ASP 49 3HB ASP 49 9.701 10.522 -7.768 405 H ASN 50 H ASN 50 7.999 11.696 -7.145 406 HA ASN 50 HA ASN 50 7.403 14.020 -8.786 407 HB2 ASN 50 2HB ASN 50 6.569 11.734 -9.375 408 HB3 ASN 50 3HB ASN 50 5.604 11.705 -7.907 409 HD21 ASN 50 1HD2 ASN 50 3.716 13.047 -7.806 410 HD22 ASN 50 2HD2 ASN 50 2.994 13.696 -9.234 411 H GLY 51 H GLY 51 6.687 12.824 -5.538 412 HA2 GLY 51 2HA GLY 51 5.644 13.832 -3.730 413 HA3 GLY 51 3HA GLY 51 5.375 15.279 -4.698 414 H LYS 52 H LYS 52 4.098 12.128 -3.786 415 HA LYS 52 HA LYS 52 1.469 12.741 -4.839 416 HB2 LYS 52 2HB LYS 52 1.408 10.748 -6.368 417 HB3 LYS 52 3HB LYS 52 2.488 12.029 -6.901 418 HG2 LYS 52 2HG LYS 52 4.437 10.741 -6.075 419 HG3 LYS 52 3HG LYS 52 3.355 9.444 -5.553 420 HD2 LYS 52 2HD LYS 52 3.625 10.424 -8.424 421 HD3 LYS 52 3HD LYS 52 4.443 9.002 -7.774 422 HE2 LYS 52 2HE LYS 52 2.358 7.855 -7.445 423 HE3 LYS 52 3HE LYS 52 1.424 9.317 -7.762 424 HZ1 LYS 52 3HZ LYS 52 3.182 8.127 -9.816 425 HZ2 LYS 52 1HZ LYS 52 1.912 9.216 -10.028 426 HZ3 LYS 52 2HZ LYS 52 1.591 7.608 -9.611 427 HA PRO 53 HA PRO 53 0.369 9.598 -1.756 428 HB2 PRO 53 2HB PRO 53 -2.407 9.601 -2.605 429 HB3 PRO 53 3HB PRO 53 -1.695 10.500 -1.252 430 HG2 PRO 53 2HG PRO 53 -2.741 11.682 -3.529 431 HG3 PRO 53 3HG PRO 53 -1.565 12.449 -2.439 432 HD2 PRO 53 2HD PRO 53 -1.070 11.041 -5.063 433 HD3 PRO 53 3HD PRO 53 -0.356 12.549 -4.437 434 H LEU 54 H LEU 54 0.159 7.378 -1.722 435 HA LEU 54 HA LEU 54 -0.651 5.916 -4.170 436 HB2 LEU 54 2HB LEU 54 2.044 5.701 -2.760 437 HB3 LEU 54 3HB LEU 54 1.431 4.393 -3.762 438 HG LEU 54 HG LEU 54 1.915 7.230 -4.772 439 HD11 LEU 54 1HD1 LEU 54 4.054 6.160 -4.212 440 HD12 LEU 54 2HD1 LEU 54 3.873 6.397 -5.945 441 HD13 LEU 54 3HD1 LEU 54 3.650 4.791 -5.247 442 HD21 LEU 54 3HD2 LEU 54 0.164 6.079 -6.000 443 HD22 LEU 54 1HD2 LEU 54 1.215 4.683 -6.258 444 HD23 LEU 54 2HD2 LEU 54 1.603 6.237 -6.999 445 H VAL 55 H VAL 55 -1.094 3.611 -3.779 446 HA VAL 55 HA VAL 55 -1.621 2.907 -0.933 447 HB VAL 55 HB VAL 55 -3.408 2.096 -3.298 448 HG11 VAL 55 1HG1 VAL 55 -3.425 0.458 -1.480 449 HG12 VAL 55 2HG1 VAL 55 -4.976 1.293 -1.558 450 HG13 VAL 55 3HG1 VAL 55 -3.807 1.721 -0.305 451 HG21 VAL 55 3HG2 VAL 55 -3.682 4.508 -2.912 452 HG22 VAL 55 1HG2 VAL 55 -3.998 4.218 -1.199 453 HG23 VAL 55 2HG2 VAL 55 -5.132 3.632 -2.419 454 H VAL 56 H VAL 56 0.092 1.500 -0.611 455 HA VAL 56 HA VAL 56 0.926 -0.357 -2.727 456 HB VAL 56 HB VAL 56 2.120 0.150 0.040 457 HG11 VAL 56 1HG1 VAL 56 3.257 -1.510 -2.252 458 HG12 VAL 56 2HG1 VAL 56 2.667 -2.136 -0.710 459 HG13 VAL 56 3HG1 VAL 56 4.102 -1.111 -0.753 460 HG21 VAL 56 3HG2 VAL 56 3.096 1.047 -2.690 461 HG22 VAL 56 1HG2 VAL 56 3.865 1.385 -1.137 462 HG23 VAL 56 2HG2 VAL 56 2.286 2.076 -1.508 463 H PHE 57 H PHE 57 -0.421 -2.067 -2.886 464 HA PHE 57 HA PHE 57 -1.298 -3.631 -0.599 465 HB2 PHE 57 2HB PHE 57 -1.414 -4.103 -3.615 466 HB3 PHE 57 3HB PHE 57 -2.100 -5.203 -2.429 467 HD1 PHE 57 HD1 PHE 57 -2.409 -1.799 -3.908 468 HD2 PHE 57 HD2 PHE 57 -4.232 -4.756 -1.408 469 HE1 PHE 57 HE1 PHE 57 -4.523 -0.541 -3.946 470 HE2 PHE 57 HE2 PHE 57 -6.332 -3.486 -1.454 471 HZ PHE 57 HZ PHE 57 -6.483 -1.381 -2.721 472 H VAL 58 H VAL 58 0.390 -4.642 0.493 473 HA VAL 58 HA VAL 58 2.507 -6.045 -0.970 474 HB VAL 58 HB VAL 58 3.308 -6.820 1.282 475 HG11 VAL 58 1HG1 VAL 58 2.944 -3.825 0.968 476 HG12 VAL 58 2HG1 VAL 58 4.284 -4.810 0.385 477 HG13 VAL 58 3HG1 VAL 58 4.060 -4.578 2.114 478 HG21 VAL 58 3HG2 VAL 58 1.078 -5.103 2.422 479 HG22 VAL 58 1HG2 VAL 58 2.395 -5.825 3.353 480 HG23 VAL 58 2HG2 VAL 58 1.215 -6.856 2.548 481 H ASN 59 H ASN 59 1.887 -7.832 -2.026 482 HA ASN 59 HA ASN 59 -0.547 -9.209 -1.384 483 HB2 ASN 59 2HB ASN 59 1.514 -9.619 -3.574 484 HB3 ASN 59 3HB ASN 59 0.143 -10.708 -3.375 485 HD21 ASN 59 1HD2 ASN 59 -0.960 -10.224 -5.198 486 HD22 ASN 59 2HD2 ASN 59 -1.626 -8.677 -5.556 487 H GLY 60 H GLY 60 -0.139 -9.986 0.687 488 HA2 GLY 60 2HA GLY 60 0.214 -11.625 2.223 489 HA3 GLY 60 3HA GLY 60 0.498 -12.722 0.874 490 H ALA 61 H ALA 61 2.290 -9.810 1.626 491 HA ALA 61 HA ALA 61 4.817 -11.173 1.457 492 HB1 ALA 61 3HB ALA 61 5.776 -8.922 1.669 493 HB2 ALA 61 1HB ALA 61 4.184 -8.271 2.068 494 HB3 ALA 61 2HB ALA 61 4.485 -8.949 0.466 495 H SER 62 H SER 62 6.523 -10.326 3.153 496 HA SER 62 HA SER 62 5.683 -11.610 5.670 497 HB2 SER 62 2HB SER 62 8.477 -11.101 4.563 498 HB3 SER 62 3HB SER 62 8.035 -12.195 5.879 499 HG SER 62 HG SER 62 6.627 -12.768 3.639 500 H GLN 63 H GLN 63 7.680 -10.728 7.417 501 HA GLN 63 HA GLN 63 6.663 -8.077 8.045 502 HB2 GLN 63 2HB GLN 63 6.776 -9.777 9.830 503 HB3 GLN 63 3HB GLN 63 8.526 -9.862 9.666 504 HG2 GLN 63 2HG GLN 63 8.769 -7.565 10.446 505 HG3 GLN 63 3HG GLN 63 7.021 -7.342 10.438 506 HE21 GLN 63 1HE2 GLN 63 6.994 -6.743 12.604 507 HE22 GLN 63 2HE2 GLN 63 7.238 -7.880 13.887 508 H ASN 64 H ASN 64 9.784 -9.485 7.022 509 HA ASN 64 HA ASN 64 11.456 -7.359 7.785 510 HB2 ASN 64 2HB ASN 64 11.803 -9.402 5.559 511 HB3 ASN 64 3HB ASN 64 13.032 -8.187 5.904 512 HD21 ASN 64 1HD2 ASN 64 13.320 -11.047 6.090 513 HD22 ASN 64 2HD2 ASN 64 13.733 -11.400 7.732 514 H ASP 65 H ASP 65 9.800 -7.869 4.642 515 HA ASP 65 HA ASP 65 10.752 -5.521 3.374 516 HB2 ASP 65 2HB ASP 65 8.779 -5.855 1.802 517 HB3 ASP 65 3HB ASP 65 9.848 -7.240 1.980 518 H VAL 66 H VAL 66 7.955 -6.047 5.488 519 HA VAL 66 HA VAL 66 6.744 -3.483 5.228 520 HB VAL 66 HB VAL 66 6.662 -5.520 7.502 521 HG11 VAL 66 1HG1 VAL 66 4.664 -4.355 8.369 522 HG12 VAL 66 2HG1 VAL 66 4.878 -3.074 7.173 523 HG13 VAL 66 3HG1 VAL 66 6.087 -3.310 8.439 524 HG21 VAL 66 3HG2 VAL 66 4.678 -4.909 5.282 525 HG22 VAL 66 1HG2 VAL 66 4.453 -6.108 6.560 526 HG23 VAL 66 2HG2 VAL 66 5.740 -6.317 5.369 527 H ASN 67 H ASN 67 9.227 -4.783 7.424 528 HA ASN 67 HA ASN 67 9.618 -2.526 9.073 529 HB2 ASN 67 2HB ASN 67 11.691 -4.615 8.234 530 HB3 ASN 67 3HB ASN 67 11.876 -3.484 9.572 531 HD21 ASN 67 1HD2 ASN 67 11.915 -6.405 9.537 532 HD22 ASN 67 2HD2 ASN 67 10.699 -6.916 10.653 533 H GLU 68 H GLU 68 11.144 -3.565 6.022 534 HA GLU 68 HA GLU 68 12.944 -1.422 5.728 535 HB2 GLU 68 2HB GLU 68 11.702 -2.996 3.426 536 HB3 GLU 68 3HB GLU 68 13.220 -2.110 3.408 537 HG2 GLU 68 2HG GLU 68 12.599 -4.728 4.762 538 HG3 GLU 68 3HG GLU 68 13.768 -4.414 3.491 539 H PHE 69 H PHE 69 9.571 -1.880 4.663 540 HA PHE 69 HA PHE 69 9.356 0.363 2.969 541 HB2 PHE 69 2HB PHE 69 7.692 -1.535 3.064 542 HB3 PHE 69 3HB PHE 69 7.103 -0.909 4.598 543 HD1 PHE 69 HD2 PHE 69 7.228 -0.353 0.952 544 HD2 PHE 69 HD1 PHE 69 5.692 1.127 4.664 545 HE1 PHE 69 HE2 PHE 69 5.680 1.115 -0.266 546 HE2 PHE 69 HE1 PHE 69 4.149 2.591 3.434 547 HZ PHE 69 HZ PHE 69 4.146 2.586 0.972 548 H GLN 70 H GLN 70 8.607 -0.069 6.392 549 HA GLN 70 HA GLN 70 7.702 2.561 6.918 550 HB2 GLN 70 2HB GLN 70 8.815 0.441 8.804 551 HB3 GLN 70 3HB GLN 70 7.990 1.909 9.321 552 HG2 GLN 70 2HG GLN 70 5.928 1.164 8.222 553 HG3 GLN 70 3HG GLN 70 6.742 -0.282 7.634 554 HE21 GLN 70 1HE2 GLN 70 8.200 -0.754 10.162 555 HE22 GLN 70 2HE2 GLN 70 7.017 -1.323 11.285 556 H ASN 71 H ASN 71 10.892 1.019 7.032 557 HA ASN 71 HA ASN 71 12.300 3.106 8.381 558 HB2 ASN 71 2HB ASN 71 13.280 0.766 6.691 559 HB3 ASN 71 3HB ASN 71 14.388 1.910 7.446 560 HD21 ASN 71 1HD2 ASN 71 14.024 -0.972 7.873 561 HD22 ASN 71 2HD2 ASN 71 13.733 -1.160 9.565 562 H GLU 72 H GLU 72 12.152 2.183 4.925 563 HA GLU 72 HA GLU 72 13.838 4.222 3.980 564 HB2 GLU 72 2HB GLU 72 11.665 2.859 2.338 565 HB3 GLU 72 3HB GLU 72 13.072 3.712 1.719 566 HG2 GLU 72 2HG GLU 72 12.910 0.992 2.989 567 HG3 GLU 72 3HG GLU 72 13.605 1.447 1.444 568 H ALA 73 H ALA 73 10.336 4.031 4.431 569 HA ALA 73 HA ALA 73 9.654 6.505 3.274 570 HB1 ALA 73 3HB ALA 73 8.235 4.987 5.478 571 HB2 ALA 73 1HB ALA 73 8.004 4.769 3.743 572 HB3 ALA 73 2HB ALA 73 7.540 6.291 4.508 573 H LYS 74 H LYS 74 10.423 5.695 6.726 574 HA LYS 74 HA LYS 74 9.936 8.372 7.624 575 HB2 LYS 74 2HB LYS 74 10.797 7.659 9.836 576 HB3 LYS 74 3HB LYS 74 9.586 6.567 9.195 577 HG2 LYS 74 2HG LYS 74 11.112 5.105 10.143 578 HG3 LYS 74 3HG LYS 74 11.590 5.100 8.455 579 HD2 LYS 74 2HD LYS 74 13.564 5.140 9.890 580 HD3 LYS 74 3HD LYS 74 13.461 6.651 8.989 581 HE2 LYS 74 2HE LYS 74 12.517 7.757 11.015 582 HE3 LYS 74 3HE LYS 74 12.669 6.235 11.896 583 HZ1 LYS 74 3HZ LYS 74 15.083 6.324 11.464 584 HZ2 LYS 74 1HZ LYS 74 14.537 7.627 12.394 585 HZ3 LYS 74 2HZ LYS 74 14.890 7.846 10.756 586 H LYS 75 H LYS 75 12.859 6.752 6.482 587 HA LYS 75 HA LYS 75 14.671 8.780 7.479 588 HB2 LYS 75 2HB LYS 75 16.445 7.622 6.303 589 HB3 LYS 75 3HB LYS 75 15.419 6.427 7.084 590 HG2 LYS 75 2HG LYS 75 14.313 5.994 4.887 591 HG3 LYS 75 3HG LYS 75 15.426 7.134 4.133 592 HD2 LYS 75 2HD LYS 75 16.144 4.801 3.772 593 HD3 LYS 75 3HD LYS 75 17.337 5.694 4.713 594 HE2 LYS 75 2HE LYS 75 16.645 4.588 6.753 595 HE3 LYS 75 3HE LYS 75 15.256 3.858 5.945 596 HZ1 LYS 75 3HZ LYS 75 16.717 2.516 4.615 597 HZ2 LYS 75 1HZ LYS 75 17.120 2.301 6.242 598 HZ3 LYS 75 2HZ LYS 75 18.095 3.268 5.253 599 H GLU 76 H GLU 76 12.863 8.287 4.512 600 HA GLU 76 HA GLU 76 14.147 10.437 3.051 601 HB2 GLU 76 2HB GLU 76 11.610 8.847 2.499 602 HB3 GLU 76 3HB GLU 76 12.269 10.064 1.415 603 HG2 GLU 76 2HG GLU 76 13.568 7.447 2.189 604 HG3 GLU 76 3HG GLU 76 12.837 7.839 0.634 605 H GLY 77 H GLY 77 11.343 10.047 5.143 606 HA2 GLY 77 2HA GLY 77 10.299 11.794 6.341 607 HA3 GLY 77 3HA GLY 77 10.825 12.954 5.127 608 H VAL 78 H VAL 78 9.090 9.880 4.856 609 HA VAL 78 HA VAL 78 6.850 11.140 3.393 610 HB VAL 78 HB VAL 78 7.609 8.174 3.610 611 HG11 VAL 78 1HG1 VAL 78 5.989 7.789 1.783 612 HG12 VAL 78 2HG1 VAL 78 5.521 9.490 1.830 613 HG13 VAL 78 3HG1 VAL 78 5.204 8.449 3.220 614 HG21 VAL 78 3HG2 VAL 78 8.061 10.047 1.260 615 HG22 VAL 78 1HG2 VAL 78 8.390 8.311 1.279 616 HG23 VAL 78 2HG2 VAL 78 9.309 9.396 2.325 617 H SER 79 H SER 79 5.083 11.549 4.703 618 HA SER 79 HA SER 79 4.644 10.197 7.213 619 HB2 SER 79 2HB SER 79 2.833 12.066 5.608 620 HB3 SER 79 3HB SER 79 2.490 11.488 7.243 621 HG SER 79 HG SER 79 4.515 12.463 7.863 622 H TYR 80 H TYR 80 4.489 8.015 6.778 623 HA TYR 80 HA TYR 80 2.643 7.008 4.726 624 HB2 TYR 80 2HB TYR 80 3.741 4.821 5.092 625 HB3 TYR 80 3HB TYR 80 4.924 6.072 4.749 626 HD1 TYR 80 HD2 TYR 80 6.439 6.899 6.577 627 HD2 TYR 80 HD1 TYR 80 3.755 3.637 7.232 628 HE1 TYR 80 HE2 TYR 80 7.696 6.271 8.588 629 HE2 TYR 80 HE1 TYR 80 5.019 3.012 9.234 630 HH TYR 80 HH TYR 80 7.294 5.046 10.690 631 H ASP 81 H ASP 81 1.361 5.058 5.311 632 HA ASP 81 HA ASP 81 0.303 4.986 8.059 633 HB2 ASP 81 2HB ASP 81 -1.113 6.559 6.638 634 HB3 ASP 81 3HB ASP 81 -1.461 5.214 5.567 635 H VAL 82 H VAL 82 -0.514 2.896 8.589 636 HA VAL 82 HA VAL 82 -0.090 0.771 6.552 637 HB VAL 82 HB VAL 82 0.679 0.440 9.502 638 HG11 VAL 82 1HG1 VAL 82 1.849 -1.594 8.700 639 HG12 VAL 82 2HG1 VAL 82 1.252 -1.290 7.067 640 HG13 VAL 82 3HG1 VAL 82 0.115 -1.658 8.369 641 HG21 VAL 82 3HG2 VAL 82 3.061 0.582 8.816 642 HG22 VAL 82 1HG2 VAL 82 2.213 2.104 8.521 643 HG23 VAL 82 2HG2 VAL 82 2.566 1.015 7.177 644 H LEU 83 H LEU 83 -1.490 -0.996 6.694 645 HA LEU 83 HA LEU 83 -3.874 -0.775 8.426 646 HB2 LEU 83 2HB LEU 83 -4.343 0.487 6.377 647 HB3 LEU 83 3HB LEU 83 -3.802 -0.849 5.378 648 HG LEU 83 HG LEU 83 -5.777 -2.195 6.210 649 HD11 LEU 83 1HD1 LEU 83 -6.688 0.410 7.461 650 HD12 LEU 83 2HD1 LEU 83 -6.212 -1.056 8.324 651 HD13 LEU 83 3HD1 LEU 83 -7.648 -1.063 7.304 652 HD21 LEU 83 3HD2 LEU 83 -6.434 0.409 4.800 653 HD22 LEU 83 1HD2 LEU 83 -7.420 -1.057 4.787 654 HD23 LEU 83 2HD2 LEU 83 -5.823 -1.066 4.043 655 H LYS 84 H LYS 84 -3.549 -2.731 9.494 656 HA LYS 84 HA LYS 84 -3.186 -5.200 7.905 657 HB2 LYS 84 2HB LYS 84 -2.875 -4.604 10.864 658 HB3 LYS 84 3HB LYS 84 -3.089 -6.259 10.312 659 HG2 LYS 84 2HG LYS 84 -0.741 -5.868 10.615 660 HG3 LYS 84 3HG LYS 84 -1.053 -6.010 8.884 661 HD2 LYS 84 2HD LYS 84 0.516 -4.211 9.274 662 HD3 LYS 84 3HD LYS 84 -1.006 -3.530 8.703 663 HE2 LYS 84 2HE LYS 84 -0.039 -2.192 10.519 664 HE3 LYS 84 3HE LYS 84 -1.586 -2.880 11.008 665 HZ1 LYS 84 3HZ LYS 84 1.094 -3.940 11.736 666 HZ2 LYS 84 1HZ LYS 84 -0.388 -4.585 12.237 667 HZ3 LYS 84 2HZ LYS 84 0.081 -3.047 12.751 668 H SER 85 H SER 85 -4.955 -6.108 7.205 669 HA SER 85 HA SER 85 -7.219 -6.772 8.878 670 HB2 SER 85 2HB SER 85 -7.944 -4.523 8.281 671 HB3 SER 85 3HB SER 85 -7.501 -4.762 6.593 672 HG SER 85 HG SER 85 -9.816 -5.369 7.862 673 H THR 86 H THR 86 -8.795 -8.132 7.546 674 HA THR 86 HA THR 86 -7.742 -9.197 4.992 675 HB THR 86 HB THR 86 -8.470 -11.539 5.720 676 HG1 THR 86 HG1 THR 86 -9.379 -11.747 7.598 677 HG21 THR 86 3HG2 THR 86 -6.441 -12.074 7.002 678 HG22 THR 86 1HG2 THR 86 -6.200 -10.365 7.368 679 HG23 THR 86 2HG2 THR 86 -6.058 -10.940 5.706 680 H ASP 87 H ASP 87 -9.973 -7.405 6.135 681 HA ASP 87 HA ASP 87 -12.426 -8.757 5.271 682 HB2 ASP 87 2HB ASP 87 -12.046 -5.921 6.351 683 HB3 ASP 87 3HB ASP 87 -13.575 -6.766 6.143 684 HA PRO 88 HA PRO 88 -11.257 -7.049 1.198 685 HB2 PRO 88 2HB PRO 88 -13.377 -8.076 -0.270 686 HB3 PRO 88 3HB PRO 88 -11.959 -9.029 0.212 687 HG2 PRO 88 2HG PRO 88 -14.657 -8.897 1.518 688 HG3 PRO 88 3HG PRO 88 -13.647 -10.318 1.170 689 HD2 PRO 88 2HD PRO 88 -13.741 -9.234 3.644 690 HD3 PRO 88 3HD PRO 88 -12.240 -9.941 3.002 691 H GLU 89 H GLU 89 -14.624 -6.765 2.377 692 HA GLU 89 HA GLU 89 -15.398 -4.567 0.786 693 HB2 GLU 89 2HB GLU 89 -17.274 -4.284 2.353 694 HB3 GLU 89 3HB GLU 89 -17.049 -5.980 1.944 695 HG2 GLU 89 2HG GLU 89 -15.984 -6.401 4.101 696 HG3 GLU 89 3HG GLU 89 -16.076 -4.690 4.512 697 H GLU 90 H GLU 90 -13.749 -4.772 3.915 698 HA GLU 90 HA GLU 90 -13.918 -2.018 4.609 699 HB2 GLU 90 2HB GLU 90 -13.531 -3.579 6.403 700 HB3 GLU 90 3HB GLU 90 -12.080 -4.215 5.628 701 HG2 GLU 90 2HG GLU 90 -10.834 -2.226 6.075 702 HG3 GLU 90 3HG GLU 90 -12.282 -1.310 6.474 703 H LEU 91 H LEU 91 -11.235 -4.016 3.323 704 HA LEU 91 HA LEU 91 -9.305 -2.029 3.101 705 HB2 LEU 91 2HB LEU 91 -9.714 -4.455 1.310 706 HB3 LEU 91 3HB LEU 91 -8.246 -3.491 1.357 707 HG LEU 91 HG LEU 91 -9.332 -5.179 3.648 708 HD11 LEU 91 1HD1 LEU 91 -8.443 -6.518 1.796 709 HD12 LEU 91 2HD1 LEU 91 -7.419 -6.639 3.223 710 HD13 LEU 91 3HD1 LEU 91 -6.920 -5.627 1.863 711 HD21 LEU 91 3HD2 LEU 91 -7.195 -4.693 4.782 712 HD22 LEU 91 1HD2 LEU 91 -8.158 -3.236 4.538 713 HD23 LEU 91 2HD2 LEU 91 -6.767 -3.558 3.498 714 H THR 92 H THR 92 -11.848 -2.957 0.786 715 HA THR 92 HA THR 92 -11.149 -1.253 -1.335 716 HB THR 92 HB THR 92 -13.876 -2.366 -0.556 717 HG1 THR 92 HG1 THR 92 -13.010 -4.131 -1.299 718 HG21 THR 92 3HG2 THR 92 -14.203 -0.468 -2.120 719 HG22 THR 92 1HG2 THR 92 -14.529 -2.005 -2.930 720 HG23 THR 92 2HG2 THR 92 -13.009 -1.160 -3.221 721 H GLN 93 H GLN 93 -13.466 -0.683 1.415 722 HA GLN 93 HA GLN 93 -13.971 2.018 0.582 723 HB2 GLN 93 2HB GLN 93 -15.230 2.338 2.666 724 HB3 GLN 93 3HB GLN 93 -15.717 0.890 1.812 725 HG2 GLN 93 2HG GLN 93 -15.800 0.323 4.082 726 HG3 GLN 93 3HG GLN 93 -14.331 -0.429 3.483 727 HE21 GLN 93 1HE2 GLN 93 -14.485 3.008 4.286 728 HE22 GLN 93 2HE2 GLN 93 -13.496 2.897 5.698 729 H ARG 94 H ARG 94 -11.414 0.590 2.413 730 HA ARG 94 HA ARG 94 -10.568 2.967 3.796 731 HB2 ARG 94 2HB ARG 94 -9.120 0.367 3.153 732 HB3 ARG 94 3HB ARG 94 -8.370 1.677 4.057 733 HG2 ARG 94 2HG ARG 94 -10.840 0.137 4.907 734 HG3 ARG 94 3HG ARG 94 -9.206 -0.108 5.523 735 HD2 ARG 94 2HD ARG 94 -9.245 2.266 6.366 736 HD3 ARG 94 3HD ARG 94 -10.946 2.353 5.883 737 HE ARG 94 HE ARG 94 -10.827 0.125 7.455 738 HH11 ARG 94 1HH1 ARG 94 -9.989 3.511 7.980 739 HH12 ARG 94 2HH1 ARG 94 -10.294 3.440 9.685 740 HH21 ARG 94 1HH2 ARG 94 -11.172 0.036 9.670 741 HH22 ARG 94 2HH2 ARG 94 -10.972 1.454 10.648 742 H VAL 95 H VAL 95 -9.771 1.429 0.686 743 HA VAL 95 HA VAL 95 -7.639 3.123 -0.057 744 HB VAL 95 HB VAL 95 -9.590 1.628 -1.886 745 HG11 VAL 95 1HG1 VAL 95 -6.894 2.868 -2.584 746 HG12 VAL 95 2HG1 VAL 95 -8.473 3.416 -3.150 747 HG13 VAL 95 3HG1 VAL 95 -7.857 1.844 -3.656 748 HG21 VAL 95 3HG2 VAL 95 -7.837 -0.092 -2.070 749 HG22 VAL 95 1HG2 VAL 95 -8.310 0.126 -0.386 750 HG23 VAL 95 2HG2 VAL 95 -6.800 0.821 -0.969 751 H ARG 96 H ARG 96 -11.184 3.380 -0.682 752 HA ARG 96 HA ARG 96 -10.971 5.778 -2.218 753 HB2 ARG 96 2HB ARG 96 -13.405 5.929 -2.125 754 HB3 ARG 96 3HB ARG 96 -12.906 4.281 -2.466 755 HG2 ARG 96 2HG ARG 96 -13.327 3.701 -0.073 756 HG3 ARG 96 3HG ARG 96 -13.941 5.336 0.184 757 HD2 ARG 96 2HD ARG 96 -15.794 3.770 -0.136 758 HD3 ARG 96 3HD ARG 96 -15.732 4.907 -1.487 759 HE ARG 96 HE ARG 96 -14.254 2.677 -2.224 760 HH11 ARG 96 1HH1 ARG 96 -17.643 3.317 -1.482 761 HH12 ARG 96 2HH1 ARG 96 -18.222 2.043 -2.509 762 HH21 ARG 96 1HH2 ARG 96 -15.026 1.049 -3.571 763 HH22 ARG 96 2HH2 ARG 96 -16.736 0.761 -3.694 764 H GLU 97 H GLU 97 -11.520 5.215 1.270 765 HA GLU 97 HA GLU 97 -12.014 7.952 1.938 766 HB2 GLU 97 2HB GLU 97 -11.053 5.645 3.681 767 HB3 GLU 97 3HB GLU 97 -11.452 7.242 4.307 768 HG2 GLU 97 2HG GLU 97 -13.322 5.238 3.035 769 HG3 GLU 97 3HG GLU 97 -13.327 5.811 4.698 770 H PHE 98 H PHE 98 -9.103 5.994 1.648 771 HA PHE 98 HA PHE 98 -7.245 7.814 2.755 772 HB2 PHE 98 2HB PHE 98 -6.585 5.483 2.432 773 HB3 PHE 98 3HB PHE 98 -6.863 5.590 0.695 774 HD1 PHE 98 HD1 PHE 98 -4.702 6.886 3.455 775 HD2 PHE 98 HD2 PHE 98 -5.111 6.328 -0.769 776 HE1 PHE 98 HE1 PHE 98 -2.389 7.628 3.118 777 HE2 PHE 98 HE2 PHE 98 -2.793 7.069 -1.087 778 HZ PHE 98 HZ PHE 98 -1.444 7.722 0.852 779 H LEU 99 H LEU 99 -8.263 7.207 -0.609 780 HA LEU 99 HA LEU 99 -6.574 9.145 -1.820 781 HB2 LEU 99 2HB LEU 99 -9.117 7.828 -2.855 782 HB3 LEU 99 3HB LEU 99 -7.982 8.730 -3.849 783 HG LEU 99 HG LEU 99 -7.244 6.186 -2.341 784 HD11 LEU 99 1HD1 LEU 99 -7.384 4.997 -4.484 785 HD12 LEU 99 2HD1 LEU 99 -8.018 6.450 -5.260 786 HD13 LEU 99 3HD1 LEU 99 -8.947 5.646 -3.994 787 HD21 LEU 99 3HD2 LEU 99 -5.757 7.677 -4.529 788 HD22 LEU 99 1HD2 LEU 99 -5.269 6.139 -3.810 789 HD23 LEU 99 2HD2 LEU 99 -5.308 7.597 -2.822 790 H LYS 100 H LYS 100 -9.812 9.299 -0.447 791 HA LYS 100 HA LYS 100 -10.521 11.876 -1.501 792 HB2 LYS 100 2HB LYS 100 -12.243 10.253 -0.845 793 HB3 LYS 100 3HB LYS 100 -11.688 10.282 0.823 794 HG2 LYS 100 2HG LYS 100 -12.553 12.474 1.188 795 HG3 LYS 100 3HG LYS 100 -12.708 12.784 -0.539 796 HD2 LYS 100 2HD LYS 100 -14.898 12.427 0.581 797 HD3 LYS 100 3HD LYS 100 -14.594 11.272 -0.716 798 HE2 LYS 100 2HE LYS 100 -15.636 10.197 1.233 799 HE3 LYS 100 3HE LYS 100 -14.027 9.542 0.947 800 HZ1 LYS 100 3HZ LYS 100 -14.685 11.609 2.979 801 HZ2 LYS 100 1HZ LYS 100 -13.187 10.855 2.757 802 HZ3 LYS 100 2HZ LYS 100 -14.511 9.956 3.299 803 H THR 101 H THR 101 -9.136 10.738 1.606 804 HA THR 101 HA THR 101 -8.882 13.415 2.679 805 HB THR 101 HB THR 101 -9.145 11.392 4.184 806 HG1 THR 101 HG1 THR 101 -7.219 13.406 4.484 807 HG21 THR 101 3HG2 THR 101 -7.148 10.111 4.831 808 HG22 THR 101 1HG2 THR 101 -6.202 10.922 3.581 809 HG23 THR 101 2HG2 THR 101 -7.528 9.849 3.130 810 H ALA 102 H ALA 102 -7.032 11.453 0.546 811 HA ALA 102 HA ALA 102 -4.439 12.539 0.910 812 HB1 ALA 102 3HB ALA 102 -3.951 11.657 -1.336 813 HB2 ALA 102 1HB ALA 102 -5.675 11.383 -1.613 814 HB3 ALA 102 2HB ALA 102 -4.824 10.474 -0.362 815 H GLY 103 H GLY 103 -7.201 13.525 -1.102 816 HA2 GLY 103 2HA GLY 103 -5.921 15.889 -2.195 817 HA3 GLY 103 3HA GLY 103 -7.617 15.448 -2.321 818 H SER 104 H SER 104 -7.014 15.200 0.857 819 HA SER 104 HA SER 104 -7.703 17.999 1.539 820 HB2 SER 104 2HB SER 104 -8.989 15.487 2.731 821 HB3 SER 104 3HB SER 104 -9.457 17.164 3.030 822 HG SER 104 HG SER 104 -9.679 15.724 0.587 823 H LEU 105 H LEU 105 -5.108 16.682 1.658 824 HA LEU 105 HA LEU 105 -4.580 15.806 4.346 825 HB2 LEU 105 2HB LEU 105 -2.758 16.368 1.990 826 HB3 LEU 105 3HB LEU 105 -2.100 15.992 3.574 827 HG LEU 105 HG LEU 105 -3.888 14.169 1.921 828 HD11 LEU 105 1HD1 LEU 105 -1.633 14.332 0.986 829 HD12 LEU 105 2HD1 LEU 105 -1.938 12.735 1.661 830 HD13 LEU 105 3HD1 LEU 105 -0.935 13.887 2.547 831 HD21 LEU 105 3HD2 LEU 105 -3.488 12.457 3.619 832 HD22 LEU 105 1HD2 LEU 105 -4.308 13.851 4.317 833 HD23 LEU 105 2HD2 LEU 105 -2.582 13.607 4.605 834 H GLU 106 H GLU 106 -5.509 17.677 5.427 835 HA GLU 106 HA GLU 106 -3.367 19.609 6.050 836 HB2 GLU 106 2HB GLU 106 -5.445 20.451 7.647 837 HB3 GLU 106 3HB GLU 106 -5.100 21.104 6.058 838 HG2 GLU 106 2HG GLU 106 -7.427 20.745 6.085 839 HG3 GLU 106 3HG GLU 106 -6.771 19.425 5.128 840 H HIS 107 H HIS 107 -5.758 18.466 8.451 841 HA HIS 107 HA HIS 107 -5.582 17.395 10.421 842 HB2 HIS 107 2HB HIS 107 -3.684 15.644 8.801 843 HB3 HIS 107 3HB HIS 107 -4.176 15.249 10.441 844 HD1 HIS 107 HD1 HIS 107 -5.647 15.661 6.975 845 HD2 HIS 107 HD2 HIS 107 -6.591 13.950 10.641 846 HE1 HIS 107 HE1 HIS 107 -7.675 14.243 6.556 847 HE2 HIS 107 HE2 HIS 107 -8.307 13.341 8.817 848 H HIS 108 H HIS 108 -2.194 16.725 9.721 849 HA HIS 108 HA HIS 108 -1.236 18.480 11.834 850 HB2 HIS 108 2HB HIS 108 -0.219 16.209 11.388 851 HB3 HIS 108 3HB HIS 108 0.285 16.770 9.799 852 HD1 HIS 108 HD1 HIS 108 1.171 16.933 13.420 853 HD2 HIS 108 HD2 HIS 108 2.542 18.487 9.813 854 HE1 HIS 108 HE1 HIS 108 3.439 17.902 13.910 855 HE2 HIS 108 HE2 HIS 108 4.222 18.879 11.730 856 H HIS 109 H HIS 109 -2.191 20.395 10.873 857 HA HIS 109 HA HIS 109 -1.354 21.295 8.226 858 HB2 HIS 109 2HB HIS 109 -2.959 23.195 8.682 859 HB3 HIS 109 3HB HIS 109 -3.686 21.600 8.739 860 HD1 HIS 109 HD1 HIS 109 -4.881 20.934 10.859 861 HD2 HIS 109 HD2 HIS 109 -2.726 24.468 11.283 862 HE1 HIS 109 HE1 HIS 109 -5.573 21.891 13.074 863 HE2 HIS 109 HE2 HIS 109 -4.276 24.031 13.295 864 H HIS 110 H HIS 110 0.810 21.085 9.842 865 HA HIS 110 HA HIS 110 1.934 23.745 9.797 866 HB2 HIS 110 2HB HIS 110 1.011 23.583 12.125 867 HB3 HIS 110 3HB HIS 110 1.929 22.109 12.388 868 HD1 HIS 110 HD1 HIS 110 2.243 25.820 12.353 869 HD2 HIS 110 HD2 HIS 110 4.736 22.520 12.809 870 HE1 HIS 110 HE1 HIS 110 4.391 26.713 13.301 871 HE2 HIS 110 HE2 HIS 110 5.892 24.708 13.533 872 H HIS 111 H HIS 111 3.073 22.853 8.093 873 HA HIS 111 HA HIS 111 5.080 20.742 8.698 874 HB2 HIS 111 2HB HIS 111 5.041 20.084 6.369 875 HB3 HIS 111 3HB HIS 111 3.359 20.192 6.880 876 HD1 HIS 111 HD1 HIS 111 5.903 21.920 4.701 877 HD2 HIS 111 HD2 HIS 111 1.836 22.162 5.541 878 HE1 HIS 111 HE1 HIS 111 4.956 23.514 3.020 879 HE2 HIS 111 HE2 HIS 111 2.483 23.529 3.457 880 H HIS 112 H HIS 112 7.180 21.047 7.557 881 HA HIS 112 HA HIS 112 7.990 23.862 7.511 882 HB2 HIS 112 2HB HIS 112 9.381 22.222 8.746 883 HB3 HIS 112 3HB HIS 112 9.676 21.334 7.254 884 HD1 HIS 112 HD1 HIS 112 11.851 21.898 6.200 885 HD2 HIS 112 HD2 HIS 112 10.363 25.081 8.426 886 HE1 HIS 112 HE1 HIS 112 13.604 23.693 6.078 887 HE2 HIS 112 HE2 HIS 112 12.741 25.541 7.546 Start of MODEL 13 1 H1 MET 1 1H MET 1 3.116 17.421 1.294 2 H2 MET 1 2H MET 1 4.431 16.646 0.578 3 H3 MET 1 3H MET 1 3.859 16.123 2.078 4 HA MET 1 HA MET 1 1.814 15.389 1.134 5 HB2 MET 1 2HB MET 1 3.005 16.415 -1.478 6 HB3 MET 1 3HB MET 1 1.554 15.424 -1.382 7 HG2 MET 1 2HG MET 1 0.423 17.197 -0.107 8 HG3 MET 1 3HG MET 1 1.877 18.191 -0.191 9 HE1 MET 1 3HE MET 1 2.862 19.166 -2.496 10 HE2 MET 1 1HE MET 1 2.098 18.907 -4.064 11 HE3 MET 1 2HE MET 1 2.859 17.557 -3.222 12 H GLY 2 H GLY 2 2.125 13.681 -1.239 13 HA2 GLY 2 2HA GLY 2 3.066 11.668 -1.848 14 HA3 GLY 2 3HA GLY 2 4.512 12.092 -0.933 15 H LYS 3 H LYS 3 1.089 11.569 -0.207 16 HA LYS 3 HA LYS 3 1.721 10.055 2.215 17 HB2 LYS 3 2HB LYS 3 0.001 11.882 2.252 18 HB3 LYS 3 3HB LYS 3 -0.971 10.971 1.101 19 HG2 LYS 3 2HG LYS 3 -1.361 9.214 2.715 20 HG3 LYS 3 3HG LYS 3 -0.211 9.925 3.850 21 HD2 LYS 3 2HD LYS 3 -1.682 11.884 4.144 22 HD3 LYS 3 3HD LYS 3 -2.816 11.238 2.954 23 HE2 LYS 3 2HE LYS 3 -3.422 9.419 4.405 24 HE3 LYS 3 3HE LYS 3 -2.104 9.783 5.521 25 HZ1 LYS 3 3HZ LYS 3 -4.315 10.524 6.284 26 HZ2 LYS 3 1HZ LYS 3 -4.376 11.613 4.992 27 HZ3 LYS 3 2HZ LYS 3 -3.188 11.776 6.183 28 H VAL 4 H VAL 4 1.360 7.831 2.389 29 HA VAL 4 HA VAL 4 0.316 6.430 0.007 30 HB VAL 4 HB VAL 4 2.813 6.625 -0.102 31 HG11 VAL 4 1HG1 VAL 4 3.370 6.431 2.269 32 HG12 VAL 4 2HG1 VAL 4 4.259 5.266 1.287 33 HG13 VAL 4 3HG1 VAL 4 2.873 4.736 2.244 34 HG21 VAL 4 3HG2 VAL 4 1.656 4.864 -1.335 35 HG22 VAL 4 1HG2 VAL 4 1.766 3.792 0.062 36 HG23 VAL 4 2HG2 VAL 4 3.233 4.304 -0.779 37 H LEU 5 H LEU 5 -0.632 4.432 0.373 38 HA LEU 5 HA LEU 5 -1.274 3.820 3.202 39 HB2 LEU 5 2HB LEU 5 -3.139 4.498 1.638 40 HB3 LEU 5 3HB LEU 5 -2.809 3.066 0.682 41 HG LEU 5 HG LEU 5 -3.391 1.651 2.694 42 HD11 LEU 5 1HD1 LEU 5 -2.937 3.259 4.469 43 HD12 LEU 5 2HD1 LEU 5 -4.591 2.663 4.574 44 HD13 LEU 5 3HD1 LEU 5 -4.277 4.275 3.923 45 HD21 LEU 5 3HD2 LEU 5 -5.827 1.950 2.510 46 HD22 LEU 5 1HD2 LEU 5 -5.045 2.037 0.933 47 HD23 LEU 5 2HD2 LEU 5 -5.584 3.514 1.730 48 H LEU 6 H LEU 6 0.238 2.327 3.813 49 HA LEU 6 HA LEU 6 1.079 0.109 2.176 50 HB2 LEU 6 2HB LEU 6 2.547 1.096 3.927 51 HB3 LEU 6 3HB LEU 6 1.407 0.613 5.169 52 HG LEU 6 HG LEU 6 1.872 -1.793 4.630 53 HD11 LEU 6 1HD1 LEU 6 3.785 -2.396 3.220 54 HD12 LEU 6 2HD1 LEU 6 3.976 -0.706 2.746 55 HD13 LEU 6 3HD1 LEU 6 2.516 -1.591 2.296 56 HD21 LEU 6 3HD2 LEU 6 3.086 -0.701 6.459 57 HD22 LEU 6 1HD2 LEU 6 4.345 -0.178 5.337 58 HD23 LEU 6 2HD2 LEU 6 4.103 -1.897 5.659 59 H VAL 7 H VAL 7 -0.828 -0.935 1.586 60 HA VAL 7 HA VAL 7 -2.709 -2.029 3.495 61 HB VAL 7 HB VAL 7 -2.440 -2.584 0.500 62 HG11 VAL 7 1HG1 VAL 7 -3.682 -4.373 1.623 63 HG12 VAL 7 2HG1 VAL 7 -4.771 -3.407 0.627 64 HG13 VAL 7 3HG1 VAL 7 -4.754 -3.188 2.378 65 HG21 VAL 7 3HG2 VAL 7 -4.288 -0.985 0.187 66 HG22 VAL 7 1HG2 VAL 7 -2.876 -0.205 0.907 67 HG23 VAL 7 2HG2 VAL 7 -4.268 -0.613 1.914 68 H ILE 8 H ILE 8 -2.225 -3.780 4.634 69 HA ILE 8 HA ILE 8 -0.574 -5.952 3.501 70 HB ILE 8 HB ILE 8 -0.777 -5.289 6.475 71 HG12 ILE 8 2HG1 ILE 8 1.466 -4.452 4.580 72 HG13 ILE 8 3HG1 ILE 8 0.302 -3.370 5.334 73 HG21 ILE 8 1HG2 ILE 8 1.186 -7.055 4.959 74 HG22 ILE 8 2HG2 ILE 8 -0.166 -7.621 5.944 75 HG23 ILE 8 3HG2 ILE 8 1.182 -6.772 6.702 76 HD11 ILE 8 3HD1 ILE 8 2.447 -3.297 6.448 77 HD12 ILE 8 1HD1 ILE 8 2.357 -5.023 6.793 78 HD13 ILE 8 2HD1 ILE 8 1.195 -3.911 7.526 79 H SER 9 H SER 9 -1.556 -7.849 3.434 80 HA SER 9 HA SER 9 -3.453 -8.726 5.456 81 HB2 SER 9 2HB SER 9 -4.994 -7.857 3.760 82 HB3 SER 9 3HB SER 9 -4.123 -8.686 2.478 83 HG SER 9 HG SER 9 -6.114 -9.704 3.280 84 H THR 10 H THR 10 -3.648 -11.042 5.452 85 HA THR 10 HA THR 10 -1.224 -12.441 4.674 86 HB THR 10 HB THR 10 -2.282 -14.365 5.907 87 HG1 THR 10 HG1 THR 10 -4.508 -13.758 5.407 88 HG21 THR 10 3HG2 THR 10 -2.290 -13.352 8.158 89 HG22 THR 10 1HG2 THR 10 -2.416 -11.741 7.449 90 HG23 THR 10 2HG2 THR 10 -0.956 -12.707 7.198 91 H ASP 11 H ASP 11 -4.504 -12.096 3.597 92 HA ASP 11 HA ASP 11 -4.465 -14.428 1.829 93 HB2 ASP 11 2HB ASP 11 -6.594 -12.338 2.445 94 HB3 ASP 11 3HB ASP 11 -6.816 -13.643 1.284 95 H THR 12 H THR 12 -3.197 -14.083 0.118 96 HA THR 12 HA THR 12 -2.638 -11.613 -1.148 97 HB THR 12 HB THR 12 -1.603 -13.117 -2.945 98 HG1 THR 12 HG1 THR 12 -2.765 -14.985 -2.851 99 HG21 THR 12 3HG2 THR 12 0.186 -13.997 -1.490 100 HG22 THR 12 1HG2 THR 12 -0.830 -13.734 -0.067 101 HG23 THR 12 2HG2 THR 12 -0.260 -12.358 -1.015 102 H ASN 13 H ASN 13 -5.081 -14.054 -1.676 103 HA ASN 13 HA ASN 13 -6.001 -13.240 -4.248 104 HB2 ASN 13 2HB ASN 13 -6.488 -15.490 -3.300 105 HB3 ASN 13 3HB ASN 13 -7.478 -14.754 -2.047 106 HD21 ASN 13 1HD2 ASN 13 -9.368 -15.751 -2.608 107 HD22 ASN 13 2HD2 ASN 13 -10.225 -15.449 -4.081 108 H ILE 14 H ILE 14 -6.927 -12.364 -0.908 109 HA ILE 14 HA ILE 14 -9.090 -10.639 -1.567 110 HB ILE 14 HB ILE 14 -7.268 -10.691 0.879 111 HG12 ILE 14 2HG1 ILE 14 -8.668 -12.681 0.719 112 HG13 ILE 14 3HG1 ILE 14 -9.251 -11.677 2.034 113 HG21 ILE 14 1HG2 ILE 14 -8.910 -9.250 2.036 114 HG22 ILE 14 2HG2 ILE 14 -9.780 -9.033 0.518 115 HG23 ILE 14 3HG2 ILE 14 -8.137 -8.421 0.684 116 HD11 ILE 14 3HD1 ILE 14 -11.090 -12.634 0.835 117 HD12 ILE 14 1HD1 ILE 14 -10.508 -11.972 -0.690 118 HD13 ILE 14 2HD1 ILE 14 -11.083 -10.890 0.580 119 H ILE 15 H ILE 15 -5.645 -9.980 -0.888 120 HA ILE 15 HA ILE 15 -5.483 -7.236 -1.265 121 HB ILE 15 HB ILE 15 -3.474 -9.412 -1.995 122 HG12 ILE 15 2HG1 ILE 15 -3.606 -7.659 0.498 123 HG13 ILE 15 3HG1 ILE 15 -4.240 -9.298 0.403 124 HG21 ILE 15 1HG2 ILE 15 -1.698 -7.702 -1.906 125 HG22 ILE 15 2HG2 ILE 15 -2.912 -6.442 -1.681 126 HG23 ILE 15 3HG2 ILE 15 -2.861 -7.353 -3.190 127 HD11 ILE 15 3HD1 ILE 15 -1.983 -10.127 -0.060 128 HD12 ILE 15 1HD1 ILE 15 -2.110 -9.292 1.486 129 HD13 ILE 15 2HD1 ILE 15 -1.361 -8.484 0.111 130 H SER 16 H SER 16 -5.265 -9.824 -3.663 131 HA SER 16 HA SER 16 -4.761 -8.289 -5.967 132 HB2 SER 16 2HB SER 16 -4.334 -10.733 -5.793 133 HB3 SER 16 3HB SER 16 -6.070 -11.035 -5.722 134 HG SER 16 HG SER 16 -6.065 -9.830 -7.826 135 H SER 17 H SER 17 -7.796 -9.658 -4.653 136 HA SER 17 HA SER 17 -9.515 -8.848 -6.721 137 HB2 SER 17 2HB SER 17 -10.147 -10.604 -5.120 138 HB3 SER 17 3HB SER 17 -10.171 -9.433 -3.801 139 HG SER 17 HG SER 17 -12.254 -9.628 -4.460 140 H VAL 18 H VAL 18 -8.888 -7.341 -3.544 141 HA VAL 18 HA VAL 18 -10.593 -5.129 -3.749 142 HB VAL 18 HB VAL 18 -7.996 -5.420 -2.166 143 HG11 VAL 18 1HG1 VAL 18 -8.533 -3.020 -2.448 144 HG12 VAL 18 2HG1 VAL 18 -8.750 -3.530 -0.775 145 HG13 VAL 18 3HG1 VAL 18 -10.157 -3.304 -1.816 146 HG21 VAL 18 3HG2 VAL 18 -10.880 -5.730 -1.278 147 HG22 VAL 18 1HG2 VAL 18 -9.453 -5.901 -0.251 148 HG23 VAL 18 2HG2 VAL 18 -9.744 -7.052 -1.558 149 H GLN 19 H GLN 19 -7.180 -5.521 -4.663 150 HA GLN 19 HA GLN 19 -6.610 -2.844 -5.303 151 HB2 GLN 19 2HB GLN 19 -4.916 -4.666 -4.997 152 HB3 GLN 19 3HB GLN 19 -5.398 -5.345 -6.549 153 HG2 GLN 19 2HG GLN 19 -4.698 -3.211 -7.641 154 HG3 GLN 19 3HG GLN 19 -4.132 -2.632 -6.077 155 HE21 GLN 19 1HE2 GLN 19 -3.056 -5.266 -5.264 156 HE22 GLN 19 2HE2 GLN 19 -1.632 -5.491 -6.210 157 H GLU 20 H GLU 20 -7.570 -5.557 -7.407 158 HA GLU 20 HA GLU 20 -7.833 -4.171 -9.842 159 HB2 GLU 20 2HB GLU 20 -9.242 -6.676 -8.833 160 HB3 GLU 20 3HB GLU 20 -9.283 -6.134 -10.509 161 HG2 GLU 20 2HG GLU 20 -6.878 -6.464 -10.728 162 HG3 GLU 20 3HG GLU 20 -6.738 -6.851 -9.013 163 H ARG 21 H ARG 21 -10.136 -4.742 -7.210 164 HA ARG 21 HA ARG 21 -12.413 -3.514 -8.411 165 HB2 ARG 21 2HB ARG 21 -11.730 -4.130 -5.509 166 HB3 ARG 21 3HB ARG 21 -13.239 -3.347 -5.967 167 HG2 ARG 21 2HG ARG 21 -13.854 -5.318 -7.315 168 HG3 ARG 21 3HG ARG 21 -12.343 -6.104 -6.857 169 HD2 ARG 21 2HD ARG 21 -13.038 -6.075 -4.490 170 HD3 ARG 21 3HD ARG 21 -14.543 -5.259 -4.934 171 HE ARG 21 HE ARG 21 -13.946 -7.861 -6.145 172 HH11 ARG 21 1HH1 ARG 21 -15.851 -6.064 -3.791 173 HH12 ARG 21 2HH1 ARG 21 -17.032 -7.320 -3.619 174 HH21 ARG 21 1HH2 ARG 21 -15.509 -9.472 -5.942 175 HH22 ARG 21 2HH2 ARG 21 -16.837 -9.262 -4.846 176 H ALA 22 H ALA 22 -9.629 -2.278 -6.702 177 HA ALA 22 HA ALA 22 -10.791 0.235 -5.945 178 HB1 ALA 22 3HB ALA 22 -8.946 -0.775 -4.669 179 HB2 ALA 22 1HB ALA 22 -8.533 0.847 -5.231 180 HB3 ALA 22 2HB ALA 22 -7.865 -0.570 -6.048 181 H LYS 23 H LYS 23 -8.788 -0.875 -8.714 182 HA LYS 23 HA LYS 23 -8.873 1.775 -9.939 183 HB2 LYS 23 2HB LYS 23 -7.894 -0.894 -11.002 184 HB3 LYS 23 3HB LYS 23 -8.015 0.526 -12.030 185 HG2 LYS 23 2HG LYS 23 -5.780 0.573 -11.408 186 HG3 LYS 23 3HG LYS 23 -6.509 1.693 -10.258 187 HD2 LYS 23 2HD LYS 23 -4.937 0.295 -9.078 188 HD3 LYS 23 3HD LYS 23 -6.565 -0.168 -8.570 189 HE2 LYS 23 2HE LYS 23 -5.153 -2.143 -8.944 190 HE3 LYS 23 3HE LYS 23 -6.487 -2.111 -10.095 191 HZ1 LYS 23 3HZ LYS 23 -4.353 -2.726 -11.093 192 HZ2 LYS 23 1HZ LYS 23 -3.715 -1.219 -10.678 193 HZ3 LYS 23 2HZ LYS 23 -4.987 -1.321 -11.786 194 H HIS 24 H HIS 24 -10.896 -1.076 -9.980 195 HA HIS 24 HA HIS 24 -12.370 -0.445 -12.362 196 HB2 HIS 24 2HB HIS 24 -12.344 -2.735 -11.392 197 HB3 HIS 24 3HB HIS 24 -13.178 -2.149 -9.959 198 HD1 HIS 24 HD1 HIS 24 -13.731 -3.133 -13.516 199 HD2 HIS 24 HD2 HIS 24 -15.973 -1.732 -10.314 200 HE1 HIS 24 HE1 HIS 24 -16.126 -3.456 -14.180 201 HE2 HIS 24 HE2 HIS 24 -17.449 -2.759 -12.159 202 H ASN 25 H ASN 25 -12.768 0.186 -8.937 203 HA ASN 25 HA ASN 25 -15.366 1.458 -9.148 204 HB2 ASN 25 2HB ASN 25 -14.521 -0.060 -7.225 205 HB3 ASN 25 3HB ASN 25 -13.542 1.298 -6.699 206 HD21 ASN 25 1HD2 ASN 25 -15.580 -0.074 -5.232 207 HD22 ASN 25 2HD2 ASN 25 -16.804 1.084 -4.843 208 H TYR 26 H TYR 26 -11.983 2.350 -8.630 209 HA TYR 26 HA TYR 26 -12.616 5.233 -8.950 210 HB2 TYR 26 2HB TYR 26 -10.272 4.284 -7.262 211 HB3 TYR 26 3HB TYR 26 -11.103 5.831 -7.216 212 HD1 TYR 26 HD1 TYR 26 -13.661 5.702 -6.370 213 HD2 TYR 26 HD2 TYR 26 -10.693 2.741 -5.517 214 HE1 TYR 26 HE1 TYR 26 -14.995 4.901 -4.466 215 HE2 TYR 26 HE2 TYR 26 -12.033 1.947 -3.614 216 HH TYR 26 HH TYR 26 -15.209 2.620 -3.216 217 HA PRO 27 HA PRO 27 -9.951 3.488 -12.383 218 HB2 PRO 27 2HB PRO 27 -10.692 5.364 -14.303 219 HB3 PRO 27 3HB PRO 27 -11.602 3.883 -13.944 220 HG2 PRO 27 2HG PRO 27 -12.090 6.676 -12.959 221 HG3 PRO 27 3HG PRO 27 -13.258 5.471 -13.549 222 HD2 PRO 27 2HD PRO 27 -12.928 5.910 -10.915 223 HD3 PRO 27 3HD PRO 27 -13.247 4.275 -11.538 224 H GLY 28 H GLY 28 -10.148 6.984 -11.663 225 HA2 GLY 28 2HA GLY 28 -7.416 7.450 -12.681 226 HA3 GLY 28 3HA GLY 28 -8.610 8.675 -12.270 227 H ARG 29 H ARG 29 -7.026 5.953 -10.588 228 HA ARG 29 HA ARG 29 -6.167 7.793 -8.435 229 HB2 ARG 29 2HB ARG 29 -7.547 5.102 -8.095 230 HB3 ARG 29 3HB ARG 29 -6.629 5.872 -6.802 231 HG2 ARG 29 2HG ARG 29 -9.086 7.011 -8.160 232 HG3 ARG 29 3HG ARG 29 -9.012 6.292 -6.550 233 HD2 ARG 29 2HD ARG 29 -7.403 8.084 -5.874 234 HD3 ARG 29 3HD ARG 29 -7.620 8.829 -7.462 235 HE ARG 29 HE ARG 29 -10.053 8.393 -5.962 236 HH11 ARG 29 1HH1 ARG 29 -7.445 10.696 -6.599 237 HH12 ARG 29 2HH1 ARG 29 -8.387 12.061 -6.094 238 HH21 ARG 29 1HH2 ARG 29 -11.256 10.189 -5.348 239 HH22 ARG 29 2HH2 ARG 29 -10.547 11.771 -5.384 240 H GLU 30 H GLU 30 -4.222 7.424 -7.581 241 HA GLU 30 HA GLU 30 -2.397 5.786 -9.130 242 HB2 GLU 30 2HB GLU 30 -1.917 7.880 -6.970 243 HB3 GLU 30 3HB GLU 30 -0.650 7.082 -7.898 244 HG2 GLU 30 2HG GLU 30 -2.804 8.916 -8.988 245 HG3 GLU 30 3HG GLU 30 -1.088 9.288 -8.817 246 H ILE 31 H ILE 31 -2.003 3.807 -8.551 247 HA ILE 31 HA ILE 31 -1.773 2.962 -5.731 248 HB ILE 31 HB ILE 31 -3.421 1.606 -7.925 249 HG12 ILE 31 2HG1 ILE 31 -4.168 2.697 -5.179 250 HG13 ILE 31 3HG1 ILE 31 -4.642 3.363 -6.733 251 HG21 ILE 31 1HG2 ILE 31 -2.711 0.433 -5.216 252 HG22 ILE 31 2HG2 ILE 31 -2.112 -0.132 -6.776 253 HG23 ILE 31 3HG2 ILE 31 -3.825 -0.277 -6.387 254 HD11 ILE 31 3HD1 ILE 31 -6.478 2.224 -5.679 255 HD12 ILE 31 1HD1 ILE 31 -5.543 0.733 -5.569 256 HD13 ILE 31 2HD1 ILE 31 -6.007 1.373 -7.149 257 H ARG 32 H ARG 32 -0.108 1.509 -5.396 258 HA ARG 32 HA ARG 32 1.452 0.513 -7.710 259 HB2 ARG 32 2HB ARG 32 2.293 2.566 -6.051 260 HB3 ARG 32 3HB ARG 32 2.924 1.189 -5.169 261 HG2 ARG 32 2HG ARG 32 3.563 1.932 -8.039 262 HG3 ARG 32 3HG ARG 32 4.608 2.171 -6.641 263 HD2 ARG 32 2HD ARG 32 4.542 -0.371 -6.337 264 HD3 ARG 32 3HD ARG 32 3.793 -0.446 -7.931 265 HE ARG 32 HE ARG 32 6.112 1.045 -8.235 266 HH11 ARG 32 1HH1 ARG 32 5.330 -2.264 -7.283 267 HH12 ARG 32 2HH1 ARG 32 6.827 -2.914 -7.854 268 HH21 ARG 32 1HH2 ARG 32 8.109 0.163 -8.923 269 HH22 ARG 32 2HH2 ARG 32 8.389 -1.542 -8.779 270 H THR 33 H THR 33 2.194 -1.639 -7.461 271 HA THR 33 HA THR 33 1.189 -3.144 -5.125 272 HB THR 33 HB THR 33 2.411 -4.377 -7.636 273 HG1 THR 33 HG1 THR 33 0.808 -3.237 -8.545 274 HG21 THR 33 3HG2 THR 33 2.004 -5.906 -5.736 275 HG22 THR 33 1HG2 THR 33 0.907 -6.267 -7.075 276 HG23 THR 33 2HG2 THR 33 0.318 -5.384 -5.663 277 H ALA 34 H ALA 34 2.630 -4.656 -4.041 278 HA ALA 34 HA ALA 34 5.517 -4.404 -4.548 279 HB1 ALA 34 3HB ALA 34 4.260 -4.171 -1.791 280 HB2 ALA 34 1HB ALA 34 5.018 -2.857 -2.696 281 HB3 ALA 34 2HB ALA 34 5.990 -4.220 -2.141 282 H THR 35 H THR 35 5.963 -6.387 -5.199 283 HA THR 35 HA THR 35 4.645 -8.759 -4.105 284 HB THR 35 HB THR 35 6.771 -8.617 -6.297 285 HG1 THR 35 HG1 THR 35 5.283 -7.587 -7.384 286 HG21 THR 35 3HG2 THR 35 6.305 -10.905 -5.424 287 HG22 THR 35 1HG2 THR 35 5.767 -10.720 -7.099 288 HG23 THR 35 2HG2 THR 35 4.593 -10.684 -5.785 289 H SER 36 H SER 36 7.631 -6.999 -3.847 290 HA SER 36 HA SER 36 8.859 -8.958 -2.071 291 HB2 SER 36 2HB SER 36 9.549 -9.682 -4.357 292 HB3 SER 36 3HB SER 36 10.204 -8.076 -4.675 293 HG SER 36 HG SER 36 11.914 -9.272 -4.027 294 H SER 37 H SER 37 11.121 -8.086 -1.426 295 HA SER 37 HA SER 37 10.943 -5.609 -0.128 296 HB2 SER 37 2HB SER 37 13.412 -5.995 0.313 297 HB3 SER 37 3HB SER 37 12.393 -7.385 0.689 298 HG SER 37 HG SER 37 14.437 -7.650 -0.642 299 H GLN 38 H GLN 38 12.369 -6.531 -3.208 300 HA GLN 38 HA GLN 38 13.825 -4.223 -3.828 301 HB2 GLN 38 2HB GLN 38 13.932 -6.457 -5.020 302 HB3 GLN 38 3HB GLN 38 12.410 -6.060 -5.805 303 HG2 GLN 38 2HG GLN 38 14.202 -5.604 -7.345 304 HG3 GLN 38 3HG GLN 38 13.519 -4.061 -6.833 305 HE21 GLN 38 1HE2 GLN 38 16.302 -6.165 -6.648 306 HE22 GLN 38 2HE2 GLN 38 17.386 -5.003 -5.971 307 H ASP 39 H ASP 39 10.414 -5.042 -4.387 308 HA ASP 39 HA ASP 39 9.634 -2.810 -5.908 309 HB2 ASP 39 2HB ASP 39 8.017 -4.503 -3.955 310 HB3 ASP 39 3HB ASP 39 7.304 -3.292 -5.015 311 H ILE 40 H ILE 40 9.401 -3.374 -2.389 312 HA ILE 40 HA ILE 40 8.310 -1.064 -1.411 313 HB ILE 40 HB ILE 40 10.571 -2.763 -0.289 314 HG12 ILE 40 2HG1 ILE 40 8.390 -3.914 -0.590 315 HG13 ILE 40 3HG1 ILE 40 8.846 -3.801 1.100 316 HG21 ILE 40 1HG2 ILE 40 10.126 -1.790 1.955 317 HG22 ILE 40 2HG2 ILE 40 9.067 -0.593 1.208 318 HG23 ILE 40 3HG2 ILE 40 10.788 -0.610 0.816 319 HD11 ILE 40 3HD1 ILE 40 7.273 -1.969 1.413 320 HD12 ILE 40 1HD1 ILE 40 6.493 -3.429 0.806 321 HD13 ILE 40 2HD1 ILE 40 6.805 -2.084 -0.288 322 H ARG 41 H ARG 41 11.722 -1.625 -2.094 323 HA ARG 41 HA ARG 41 12.654 0.923 -1.211 324 HB2 ARG 41 2HB ARG 41 13.993 -1.261 -2.854 325 HB3 ARG 41 3HB ARG 41 14.836 0.092 -2.097 326 HG2 ARG 41 2HG ARG 41 14.492 -0.738 0.086 327 HG3 ARG 41 3HG ARG 41 13.137 -1.754 -0.410 328 HD2 ARG 41 2HD ARG 41 15.089 -3.120 0.119 329 HD3 ARG 41 3HD ARG 41 14.671 -3.258 -1.586 330 HE ARG 41 HE ARG 41 16.537 -1.717 -2.049 331 HH11 ARG 41 1HH1 ARG 41 16.591 -3.497 1.006 332 HH12 ARG 41 2HH1 ARG 41 18.323 -3.411 1.148 333 HH21 ARG 41 1HH2 ARG 41 18.788 -1.615 -1.845 334 HH22 ARG 41 2HH2 ARG 41 19.567 -2.339 -0.471 335 H ASP 42 H ASP 42 11.713 -0.429 -4.337 336 HA ASP 42 HA ASP 42 12.634 1.723 -5.990 337 HB2 ASP 42 2HB ASP 42 12.155 -0.508 -6.945 338 HB3 ASP 42 3HB ASP 42 10.462 -0.374 -6.489 339 H ILE 43 H ILE 43 9.599 0.997 -4.330 340 HA ILE 43 HA ILE 43 7.950 2.968 -5.511 341 HB ILE 43 HB ILE 43 7.670 1.575 -2.801 342 HG12 ILE 43 2HG1 ILE 43 6.202 0.976 -5.409 343 HG13 ILE 43 3HG1 ILE 43 7.610 0.086 -4.862 344 HG21 ILE 43 1HG2 ILE 43 5.298 2.287 -2.840 345 HG22 ILE 43 2HG2 ILE 43 5.595 3.206 -4.313 346 HG23 ILE 43 3HG2 ILE 43 6.388 3.675 -2.808 347 HD11 ILE 43 3HD1 ILE 43 5.585 -1.139 -4.400 348 HD12 ILE 43 1HD1 ILE 43 4.942 0.211 -3.463 349 HD13 ILE 43 2HD1 ILE 43 6.363 -0.666 -2.889 350 H ILE 44 H ILE 44 9.700 2.836 -2.399 351 HA ILE 44 HA ILE 44 9.004 5.440 -1.534 352 HB ILE 44 HB ILE 44 11.296 3.631 -0.650 353 HG12 ILE 44 2HG1 ILE 44 8.559 4.157 0.614 354 HG13 ILE 44 3HG1 ILE 44 8.972 2.726 -0.322 355 HG21 ILE 44 1HG2 ILE 44 11.410 5.039 1.403 356 HG22 ILE 44 2HG2 ILE 44 10.247 6.156 0.691 357 HG23 ILE 44 3HG2 ILE 44 11.835 5.953 -0.047 358 HD11 ILE 44 3HD1 ILE 44 10.611 2.097 1.370 359 HD12 ILE 44 1HD1 ILE 44 8.990 2.270 2.035 360 HD13 ILE 44 2HD1 ILE 44 10.188 3.532 2.312 361 H LYS 45 H LYS 45 11.868 4.158 -3.270 362 HA LYS 45 HA LYS 45 13.403 6.452 -3.572 363 HB2 LYS 45 2HB LYS 45 14.141 4.267 -4.409 364 HB3 LYS 45 3HB LYS 45 12.845 4.243 -5.593 365 HG2 LYS 45 2HG LYS 45 14.920 4.742 -6.721 366 HG3 LYS 45 3HG LYS 45 13.898 6.178 -6.756 367 HD2 LYS 45 2HD LYS 45 16.190 6.833 -6.301 368 HD3 LYS 45 3HD LYS 45 15.212 7.126 -4.860 369 HE2 LYS 45 2HE LYS 45 17.383 6.151 -4.264 370 HE3 LYS 45 3HE LYS 45 16.082 5.030 -3.861 371 HZ1 LYS 45 3HZ LYS 45 16.571 3.813 -5.909 372 HZ2 LYS 45 1HZ LYS 45 17.933 3.901 -4.910 373 HZ3 LYS 45 2HZ LYS 45 17.821 4.894 -6.269 374 H SER 46 H SER 46 10.613 5.400 -5.523 375 HA SER 46 HA SER 46 10.518 7.644 -7.258 376 HB2 SER 46 2HB SER 46 8.314 5.683 -6.499 377 HB3 SER 46 3HB SER 46 8.285 6.771 -7.887 378 HG SER 46 HG SER 46 9.431 4.342 -7.650 379 H MET 47 H MET 47 8.989 6.901 -4.151 380 HA MET 47 HA MET 47 6.973 8.849 -4.089 381 HB2 MET 47 2HB MET 47 8.413 7.351 -1.866 382 HB3 MET 47 3HB MET 47 7.134 8.507 -1.519 383 HG2 MET 47 2HG MET 47 6.795 6.021 -3.210 384 HG3 MET 47 3HG MET 47 6.344 6.174 -1.514 385 HE1 MET 47 3HE MET 47 3.489 8.874 -1.717 386 HE2 MET 47 1HE MET 47 5.208 9.188 -1.469 387 HE3 MET 47 2HE MET 47 4.431 7.832 -0.650 388 H LYS 48 H LYS 48 10.366 9.010 -3.167 389 HA LYS 48 HA LYS 48 10.382 11.439 -1.740 390 HB2 LYS 48 2HB LYS 48 12.596 10.391 -3.555 391 HB3 LYS 48 3HB LYS 48 12.781 11.509 -2.203 392 HG2 LYS 48 2HG LYS 48 12.158 9.761 -0.621 393 HG3 LYS 48 3HG LYS 48 11.839 8.647 -1.948 394 HD2 LYS 48 2HD LYS 48 14.325 8.964 -2.592 395 HD3 LYS 48 3HD LYS 48 14.513 9.722 -1.006 396 HE2 LYS 48 2HE LYS 48 13.531 7.588 -0.008 397 HE3 LYS 48 3HE LYS 48 13.680 6.871 -1.614 398 HZ1 LYS 48 3HZ LYS 48 16.074 7.274 -1.527 399 HZ2 LYS 48 1HZ LYS 48 15.578 6.333 -0.213 400 HZ3 LYS 48 2HZ LYS 48 15.927 7.974 0.005 401 H ASP 49 H ASP 49 10.625 10.769 -5.196 402 HA ASP 49 HA ASP 49 10.953 13.587 -5.925 403 HB2 ASP 49 2HB ASP 49 12.307 11.762 -7.010 404 HB3 ASP 49 3HB ASP 49 10.828 11.093 -7.686 405 H ASN 50 H ASN 50 8.440 11.244 -5.640 406 HA ASN 50 HA ASN 50 6.680 12.556 -7.609 407 HB2 ASN 50 2HB ASN 50 7.126 10.019 -7.610 408 HB3 ASN 50 3HB ASN 50 6.167 9.936 -6.141 409 HD21 ASN 50 1HD2 ASN 50 5.557 12.017 -8.961 410 HD22 ASN 50 2HD2 ASN 50 4.089 11.245 -9.418 411 H GLY 51 H GLY 51 5.764 14.294 -6.636 412 HA2 GLY 51 2HA GLY 51 4.902 14.311 -3.859 413 HA3 GLY 51 3HA GLY 51 4.846 15.645 -4.997 414 H LYS 52 H LYS 52 3.438 12.388 -5.268 415 HA LYS 52 HA LYS 52 0.725 13.432 -4.855 416 HB2 LYS 52 2HB LYS 52 -0.168 12.209 -6.782 417 HB3 LYS 52 3HB LYS 52 1.038 13.366 -7.324 418 HG2 LYS 52 2HG LYS 52 2.666 11.587 -7.645 419 HG3 LYS 52 3HG LYS 52 1.549 10.399 -6.963 420 HD2 LYS 52 2HD LYS 52 -0.003 10.726 -8.824 421 HD3 LYS 52 3HD LYS 52 1.010 12.013 -9.488 422 HE2 LYS 52 2HE LYS 52 1.312 9.916 -10.723 423 HE3 LYS 52 3HE LYS 52 2.805 10.377 -9.903 424 HZ1 LYS 52 3HZ LYS 52 2.375 8.032 -9.662 425 HZ2 LYS 52 1HZ LYS 52 0.860 8.328 -8.978 426 HZ3 LYS 52 2HZ LYS 52 2.270 8.778 -8.151 427 HA PRO 53 HA PRO 53 0.396 9.793 -2.336 428 HB2 PRO 53 2HB PRO 53 -2.267 9.166 -2.448 429 HB3 PRO 53 3HB PRO 53 -1.664 10.625 -1.631 430 HG2 PRO 53 2HG PRO 53 -2.821 10.370 -4.395 431 HG3 PRO 53 3HG PRO 53 -3.186 11.566 -3.126 432 HD2 PRO 53 2HD PRO 53 -1.489 12.136 -5.156 433 HD3 PRO 53 3HD PRO 53 -1.243 12.790 -3.521 434 H LEU 54 H LEU 54 0.127 7.552 -2.278 435 HA LEU 54 HA LEU 54 -0.647 6.059 -4.693 436 HB2 LEU 54 2HB LEU 54 2.100 5.960 -3.384 437 HB3 LEU 54 3HB LEU 54 1.482 4.563 -4.248 438 HG LEU 54 HG LEU 54 1.797 7.298 -5.555 439 HD11 LEU 54 1HD1 LEU 54 3.844 6.502 -6.604 440 HD12 LEU 54 2HD1 LEU 54 3.762 4.993 -5.686 441 HD13 LEU 54 3HD1 LEU 54 4.010 6.526 -4.851 442 HD21 LEU 54 3HD2 LEU 54 0.200 5.813 -6.668 443 HD22 LEU 54 1HD2 LEU 54 1.421 4.541 -6.768 444 HD23 LEU 54 2HD2 LEU 54 1.634 6.053 -7.659 445 H VAL 55 H VAL 55 -1.089 3.771 -4.199 446 HA VAL 55 HA VAL 55 -1.514 3.187 -1.307 447 HB VAL 55 HB VAL 55 -3.267 2.194 -3.613 448 HG11 VAL 55 1HG1 VAL 55 -3.210 0.645 -1.717 449 HG12 VAL 55 2HG1 VAL 55 -4.797 1.406 -1.844 450 HG13 VAL 55 3HG1 VAL 55 -3.656 1.949 -0.610 451 HG21 VAL 55 3HG2 VAL 55 -5.035 3.711 -2.798 452 HG22 VAL 55 1HG2 VAL 55 -3.613 4.610 -3.332 453 HG23 VAL 55 2HG2 VAL 55 -3.918 4.384 -1.608 454 H VAL 56 H VAL 56 0.152 1.810 -0.842 455 HA VAL 56 HA VAL 56 1.150 -0.085 -2.836 456 HB VAL 56 HB VAL 56 2.188 0.676 -0.075 457 HG11 VAL 56 1HG1 VAL 56 3.456 -1.255 -2.061 458 HG12 VAL 56 2HG1 VAL 56 2.781 -1.683 -0.486 459 HG13 VAL 56 3HG1 VAL 56 4.214 -0.658 -0.582 460 HG21 VAL 56 3HG2 VAL 56 3.296 1.215 -2.849 461 HG22 VAL 56 1HG2 VAL 56 4.008 1.742 -1.322 462 HG23 VAL 56 2HG2 VAL 56 2.447 2.386 -1.838 463 H PHE 57 H PHE 57 -0.249 -1.775 -3.012 464 HA PHE 57 HA PHE 57 -1.083 -3.360 -0.725 465 HB2 PHE 57 2HB PHE 57 -1.228 -3.818 -3.736 466 HB3 PHE 57 3HB PHE 57 -1.807 -4.988 -2.564 467 HD1 PHE 57 HD1 PHE 57 -2.372 -1.541 -3.885 468 HD2 PHE 57 HD2 PHE 57 -3.981 -4.770 -1.583 469 HE1 PHE 57 HE1 PHE 57 -4.581 -0.449 -3.883 470 HE2 PHE 57 HE2 PHE 57 -6.181 -3.667 -1.582 471 HZ PHE 57 HZ PHE 57 -6.484 -1.507 -2.731 472 H VAL 58 H VAL 58 0.654 -4.328 0.372 473 HA VAL 58 HA VAL 58 2.737 -5.705 -1.154 474 HB VAL 58 HB VAL 58 3.678 -6.463 1.025 475 HG11 VAL 58 1HG1 VAL 58 4.498 -4.263 1.792 476 HG12 VAL 58 2HG1 VAL 58 3.230 -3.468 0.852 477 HG13 VAL 58 3HG1 VAL 58 4.487 -4.393 0.033 478 HG21 VAL 58 3HG2 VAL 58 2.895 -5.529 3.162 479 HG22 VAL 58 1HG2 VAL 58 1.663 -6.554 2.419 480 HG23 VAL 58 2HG2 VAL 58 1.509 -4.798 2.344 481 H ASN 59 H ASN 59 2.315 -7.577 -2.044 482 HA ASN 59 HA ASN 59 -0.090 -9.032 -1.448 483 HB2 ASN 59 2HB ASN 59 0.695 -8.653 -3.767 484 HB3 ASN 59 3HB ASN 59 2.117 -9.641 -3.456 485 HD21 ASN 59 1HD2 ASN 59 -1.394 -9.694 -3.770 486 HD22 ASN 59 2HD2 ASN 59 -1.531 -11.379 -4.128 487 H GLY 60 H GLY 60 0.282 -9.724 0.680 488 HA2 GLY 60 2HA GLY 60 0.723 -11.268 2.308 489 HA3 GLY 60 3HA GLY 60 1.003 -12.407 0.996 490 H ALA 61 H ALA 61 2.789 -9.464 1.673 491 HA ALA 61 HA ALA 61 5.293 -10.835 1.292 492 HB1 ALA 61 3HB ALA 61 4.831 -8.655 0.253 493 HB2 ALA 61 1HB ALA 61 6.240 -8.569 1.316 494 HB3 ALA 61 2HB ALA 61 4.689 -7.919 1.848 495 H SER 62 H SER 62 7.167 -10.154 2.778 496 HA SER 62 HA SER 62 6.504 -11.224 5.416 497 HB2 SER 62 2HB SER 62 8.992 -11.466 5.628 498 HB3 SER 62 3HB SER 62 8.375 -12.231 4.162 499 HG SER 62 HG SER 62 8.968 -9.698 3.586 500 H GLN 63 H GLN 63 7.503 -10.310 7.349 501 HA GLN 63 HA GLN 63 6.943 -7.563 7.742 502 HB2 GLN 63 2HB GLN 63 6.767 -9.344 9.506 503 HB3 GLN 63 3HB GLN 63 8.522 -9.464 9.544 504 HG2 GLN 63 2HG GLN 63 7.696 -8.147 11.434 505 HG3 GLN 63 3HG GLN 63 8.670 -7.141 10.362 506 HE21 GLN 63 1HE2 GLN 63 7.727 -5.242 11.109 507 HE22 GLN 63 2HE2 GLN 63 6.105 -4.786 10.731 508 H ASN 64 H ASN 64 9.770 -9.227 6.683 509 HA ASN 64 HA ASN 64 11.898 -7.542 7.283 510 HB2 ASN 64 2HB ASN 64 12.167 -9.755 6.228 511 HB3 ASN 64 3HB ASN 64 11.355 -9.194 4.769 512 HD21 ASN 64 1HD2 ASN 64 13.095 -9.702 3.466 513 HD22 ASN 64 2HD2 ASN 64 14.569 -8.807 3.465 514 H ASP 65 H ASP 65 9.919 -7.529 4.302 515 HA ASP 65 HA ASP 65 11.063 -5.086 3.315 516 HB2 ASP 65 2HB ASP 65 9.496 -5.360 1.429 517 HB3 ASP 65 3HB ASP 65 10.383 -6.827 1.753 518 H VAL 66 H VAL 66 8.080 -5.980 4.975 519 HA VAL 66 HA VAL 66 6.688 -3.545 4.854 520 HB VAL 66 HB VAL 66 6.710 -5.745 6.973 521 HG11 VAL 66 1HG1 VAL 66 4.776 -3.401 6.822 522 HG12 VAL 66 2HG1 VAL 66 5.959 -3.694 8.099 523 HG13 VAL 66 3HG1 VAL 66 4.607 -4.805 7.881 524 HG21 VAL 66 3HG2 VAL 66 4.552 -6.398 5.951 525 HG22 VAL 66 1HG2 VAL 66 5.853 -6.400 4.755 526 HG23 VAL 66 2HG2 VAL 66 4.693 -5.069 4.795 527 H ASN 67 H ASN 67 9.265 -4.653 7.054 528 HA ASN 67 HA ASN 67 9.275 -2.362 8.748 529 HB2 ASN 67 2HB ASN 67 11.355 -4.519 8.243 530 HB3 ASN 67 3HB ASN 67 11.730 -3.130 9.263 531 HD21 ASN 67 1HD2 ASN 67 11.519 -5.972 9.936 532 HD22 ASN 67 2HD2 ASN 67 10.359 -6.069 11.210 533 H GLU 68 H GLU 68 11.197 -3.250 5.865 534 HA GLU 68 HA GLU 68 12.811 -0.972 5.671 535 HB2 GLU 68 2HB GLU 68 11.641 -2.662 3.412 536 HB3 GLU 68 3HB GLU 68 12.928 -1.472 3.203 537 HG2 GLU 68 2HG GLU 68 14.350 -2.772 4.750 538 HG3 GLU 68 3HG GLU 68 13.083 -3.985 4.892 539 H PHE 69 H PHE 69 9.471 -1.497 4.623 540 HA PHE 69 HA PHE 69 9.134 0.903 3.192 541 HB2 PHE 69 2HB PHE 69 7.569 -1.118 3.125 542 HB3 PHE 69 3HB PHE 69 6.896 -0.554 4.653 543 HD1 PHE 69 HD2 PHE 69 7.181 0.100 1.049 544 HD2 PHE 69 HD1 PHE 69 5.506 1.511 4.722 545 HE1 PHE 69 HE2 PHE 69 5.688 1.591 -0.204 546 HE2 PHE 69 HE1 PHE 69 4.018 3.008 3.460 547 HZ PHE 69 HZ PHE 69 4.108 3.042 0.999 548 H GLN 70 H GLN 70 8.384 0.035 6.548 549 HA GLN 70 HA GLN 70 7.285 2.534 7.310 550 HB2 GLN 70 2HB GLN 70 8.454 0.277 8.989 551 HB3 GLN 70 3HB GLN 70 7.532 1.628 9.644 552 HG2 GLN 70 2HG GLN 70 5.542 0.928 8.435 553 HG3 GLN 70 3HG GLN 70 6.442 -0.345 7.613 554 HE21 GLN 70 1HE2 GLN 70 7.092 -2.197 8.828 555 HE22 GLN 70 2HE2 GLN 70 6.315 -2.606 10.315 556 H ASN 71 H ASN 71 10.549 1.202 7.459 557 HA ASN 71 HA ASN 71 11.745 3.161 9.142 558 HB2 ASN 71 2HB ASN 71 12.991 1.163 7.198 559 HB3 ASN 71 3HB ASN 71 13.945 2.207 8.245 560 HD21 ASN 71 1HD2 ASN 71 13.742 -0.717 8.083 561 HD22 ASN 71 2HD2 ASN 71 13.340 -1.256 9.675 562 H GLU 72 H GLU 72 12.075 2.563 5.615 563 HA GLU 72 HA GLU 72 13.532 4.916 5.075 564 HB2 GLU 72 2HB GLU 72 12.026 2.942 3.351 565 HB3 GLU 72 3HB GLU 72 12.614 4.429 2.629 566 HG2 GLU 72 2HG GLU 72 14.168 2.653 2.196 567 HG3 GLU 72 3HG GLU 72 14.913 3.847 3.251 568 H ALA 73 H ALA 73 10.028 4.337 5.158 569 HA ALA 73 HA ALA 73 9.282 6.744 3.840 570 HB1 ALA 73 3HB ALA 73 7.747 4.851 4.059 571 HB2 ALA 73 1HB ALA 73 7.031 6.336 4.689 572 HB3 ALA 73 2HB ALA 73 7.651 5.112 5.802 573 H LYS 74 H LYS 74 9.545 5.978 7.377 574 HA LYS 74 HA LYS 74 8.935 8.687 8.143 575 HB2 LYS 74 2HB LYS 74 9.478 8.019 10.434 576 HB3 LYS 74 3HB LYS 74 8.455 6.823 9.661 577 HG2 LYS 74 2HG LYS 74 9.937 5.471 10.803 578 HG3 LYS 74 3HG LYS 74 10.711 5.550 9.221 579 HD2 LYS 74 2HD LYS 74 12.206 7.376 10.116 580 HD3 LYS 74 3HD LYS 74 11.472 7.146 11.703 581 HE2 LYS 74 2HE LYS 74 12.312 4.845 11.781 582 HE3 LYS 74 3HE LYS 74 12.979 5.010 10.155 583 HZ1 LYS 74 3HZ LYS 74 13.828 6.602 12.522 584 HZ2 LYS 74 1HZ LYS 74 14.494 6.697 10.972 585 HZ3 LYS 74 2HZ LYS 74 14.665 5.282 11.883 586 H LYS 75 H LYS 75 11.851 7.032 7.259 587 HA LYS 75 HA LYS 75 13.825 8.690 8.368 588 HB2 LYS 75 2HB LYS 75 14.225 6.397 7.713 589 HB3 LYS 75 3HB LYS 75 13.690 6.708 6.066 590 HG2 LYS 75 2HG LYS 75 15.654 8.170 5.762 591 HG3 LYS 75 3HG LYS 75 16.192 7.712 7.372 592 HD2 LYS 75 2HD LYS 75 15.752 5.783 5.060 593 HD3 LYS 75 3HD LYS 75 17.322 6.396 5.570 594 HE2 LYS 75 2HE LYS 75 17.016 5.299 7.781 595 HE3 LYS 75 3HE LYS 75 15.460 4.666 7.235 596 HZ1 LYS 75 3HZ LYS 75 16.618 3.438 5.493 597 HZ2 LYS 75 1HZ LYS 75 17.197 3.010 7.023 598 HZ3 LYS 75 2HZ LYS 75 18.106 4.032 6.028 599 H GLU 76 H GLU 76 12.207 8.598 5.204 600 HA GLU 76 HA GLU 76 13.800 10.847 4.183 601 HB2 GLU 76 2HB GLU 76 11.752 9.077 2.789 602 HB3 GLU 76 3HB GLU 76 12.798 10.256 2.005 603 HG2 GLU 76 2HG GLU 76 13.740 7.767 3.460 604 HG3 GLU 76 3HG GLU 76 13.584 7.928 1.717 605 H GLY 77 H GLY 77 10.955 10.486 5.899 606 HA2 GLY 77 2HA GLY 77 9.364 12.040 6.507 607 HA3 GLY 77 3HA GLY 77 10.067 13.185 5.380 608 H VAL 78 H VAL 78 9.177 10.060 4.244 609 HA VAL 78 HA VAL 78 7.015 11.027 2.564 610 HB VAL 78 HB VAL 78 8.098 8.190 2.974 611 HG11 VAL 78 1HG1 VAL 78 6.315 9.249 0.750 612 HG12 VAL 78 2HG1 VAL 78 5.812 8.166 2.049 613 HG13 VAL 78 3HG1 VAL 78 6.988 7.620 0.852 614 HG21 VAL 78 3HG2 VAL 78 8.763 10.182 0.776 615 HG22 VAL 78 1HG2 VAL 78 9.346 8.515 0.876 616 HG23 VAL 78 2HG2 VAL 78 9.835 9.698 2.093 617 H SER 79 H SER 79 4.992 11.229 3.403 618 HA SER 79 HA SER 79 4.117 10.162 5.876 619 HB2 SER 79 2HB SER 79 2.459 11.284 3.569 620 HB3 SER 79 3HB SER 79 1.870 11.024 5.212 621 HG SER 79 HG SER 79 3.780 12.463 5.757 622 H TYR 80 H TYR 80 3.177 8.223 6.367 623 HA TYR 80 HA TYR 80 2.084 6.481 4.278 624 HB2 TYR 80 2HB TYR 80 3.447 4.566 4.897 625 HB3 TYR 80 3HB TYR 80 4.504 5.898 4.455 626 HD1 TYR 80 HD2 TYR 80 5.254 7.418 6.579 627 HD2 TYR 80 HD1 TYR 80 4.072 3.315 6.790 628 HE1 TYR 80 HE2 TYR 80 6.525 7.164 8.658 629 HE2 TYR 80 HE1 TYR 80 5.348 3.063 8.876 630 HH TYR 80 HH TYR 80 7.315 4.198 9.973 631 H ASP 81 H ASP 81 0.597 5.019 4.988 632 HA ASP 81 HA ASP 81 -0.153 4.985 7.870 633 HB2 ASP 81 2HB ASP 81 -2.028 5.136 5.452 634 HB3 ASP 81 3HB ASP 81 -2.560 4.875 7.109 635 H VAL 82 H VAL 82 -0.070 2.940 8.625 636 HA VAL 82 HA VAL 82 0.118 0.682 6.783 637 HB VAL 82 HB VAL 82 0.367 0.693 9.835 638 HG11 VAL 82 1HG1 VAL 82 -0.281 -1.537 8.960 639 HG12 VAL 82 2HG1 VAL 82 1.368 -1.558 9.585 640 HG13 VAL 82 3HG1 VAL 82 1.086 -1.503 7.844 641 HG21 VAL 82 3HG2 VAL 82 2.550 0.685 7.710 642 HG22 VAL 82 1HG2 VAL 82 2.813 0.548 9.452 643 HG23 VAL 82 2HG2 VAL 82 2.145 2.035 8.772 644 H LEU 83 H LEU 83 -1.831 0.197 5.994 645 HA LEU 83 HA LEU 83 -4.191 -0.162 7.683 646 HB2 LEU 83 2HB LEU 83 -4.464 0.894 5.489 647 HB3 LEU 83 3HB LEU 83 -3.709 -0.477 4.692 648 HG LEU 83 HG LEU 83 -5.645 -1.910 5.335 649 HD11 LEU 83 1HD1 LEU 83 -6.859 0.625 6.459 650 HD12 LEU 83 2HD1 LEU 83 -6.331 -0.783 7.385 651 HD13 LEU 83 3HD1 LEU 83 -7.683 -0.923 6.264 652 HD21 LEU 83 3HD2 LEU 83 -6.408 0.614 3.832 653 HD22 LEU 83 1HD2 LEU 83 -7.278 -0.923 3.777 654 HD23 LEU 83 2HD2 LEU 83 -5.635 -0.820 3.149 655 H LYS 84 H LYS 84 -4.018 -2.006 8.900 656 HA LYS 84 HA LYS 84 -3.129 -4.530 7.616 657 HB2 LYS 84 2HB LYS 84 -1.988 -3.692 9.758 658 HB3 LYS 84 3HB LYS 84 -3.507 -3.977 10.591 659 HG2 LYS 84 2HG LYS 84 -2.201 -5.888 11.052 660 HG3 LYS 84 3HG LYS 84 -3.325 -6.412 9.797 661 HD2 LYS 84 2HD LYS 84 -1.150 -7.284 9.251 662 HD3 LYS 84 3HD LYS 84 -1.509 -5.995 8.097 663 HE2 LYS 84 2HE LYS 84 0.819 -5.868 8.870 664 HE3 LYS 84 3HE LYS 84 -0.082 -4.444 9.391 665 HZ1 LYS 84 3HZ LYS 84 1.324 -5.290 11.151 666 HZ2 LYS 84 1HZ LYS 84 0.579 -6.804 11.073 667 HZ3 LYS 84 2HZ LYS 84 -0.298 -5.453 11.590 668 H SER 85 H SER 85 -4.955 -5.357 6.649 669 HA SER 85 HA SER 85 -7.192 -6.213 8.302 670 HB2 SER 85 2HB SER 85 -7.629 -4.201 6.045 671 HB3 SER 85 3HB SER 85 -8.922 -5.118 6.811 672 HG SER 85 HG SER 85 -8.881 -3.800 8.436 673 H THR 86 H THR 86 -8.025 -8.089 7.507 674 HA THR 86 HA THR 86 -7.059 -9.079 4.902 675 HB THR 86 HB THR 86 -7.780 -11.339 5.789 676 HG1 THR 86 HG1 THR 86 -8.730 -11.496 7.690 677 HG21 THR 86 3HG2 THR 86 -5.416 -10.615 6.005 678 HG22 THR 86 1HG2 THR 86 -5.910 -11.599 7.386 679 HG23 THR 86 2HG2 THR 86 -5.790 -9.846 7.551 680 H ASP 87 H ASP 87 -9.838 -7.738 6.313 681 HA ASP 87 HA ASP 87 -11.882 -9.180 4.877 682 HB2 ASP 87 2HB ASP 87 -11.982 -6.497 6.334 683 HB3 ASP 87 3HB ASP 87 -13.391 -7.349 5.709 684 HA PRO 88 HA PRO 88 -10.975 -6.968 1.025 685 HB2 PRO 88 2HB PRO 88 -13.059 -7.958 -0.504 686 HB3 PRO 88 3HB PRO 88 -11.599 -8.894 -0.118 687 HG2 PRO 88 2HG PRO 88 -14.285 -8.979 1.214 688 HG3 PRO 88 3HG PRO 88 -13.227 -10.326 0.731 689 HD2 PRO 88 2HD PRO 88 -13.332 -9.463 3.293 690 HD3 PRO 88 3HD PRO 88 -11.822 -10.071 2.576 691 H GLU 89 H GLU 89 -14.326 -7.046 2.205 692 HA GLU 89 HA GLU 89 -15.353 -4.787 0.931 693 HB2 GLU 89 2HB GLU 89 -17.053 -4.806 2.796 694 HB3 GLU 89 3HB GLU 89 -16.808 -6.377 2.037 695 HG2 GLU 89 2HG GLU 89 -15.350 -7.066 3.912 696 HG3 GLU 89 3HG GLU 89 -15.598 -5.501 4.680 697 H GLU 90 H GLU 90 -13.594 -5.093 3.983 698 HA GLU 90 HA GLU 90 -13.860 -2.403 4.862 699 HB2 GLU 90 2HB GLU 90 -13.427 -4.210 6.456 700 HB3 GLU 90 3HB GLU 90 -11.899 -4.598 5.670 701 HG2 GLU 90 2HG GLU 90 -10.909 -2.528 6.417 702 HG3 GLU 90 3HG GLU 90 -12.465 -1.921 6.971 703 H LEU 91 H LEU 91 -11.209 -4.233 3.307 704 HA LEU 91 HA LEU 91 -9.305 -2.211 3.120 705 HB2 LEU 91 2HB LEU 91 -9.837 -4.613 1.338 706 HB3 LEU 91 3HB LEU 91 -8.465 -3.551 1.077 707 HG LEU 91 HG LEU 91 -8.937 -5.197 3.598 708 HD11 LEU 91 1HD1 LEU 91 -7.047 -6.569 2.819 709 HD12 LEU 91 2HD1 LEU 91 -6.971 -5.632 1.323 710 HD13 LEU 91 3HD1 LEU 91 -8.390 -6.619 1.676 711 HD21 LEU 91 3HD2 LEU 91 -7.721 -3.145 4.095 712 HD22 LEU 91 1HD2 LEU 91 -6.585 -3.463 2.779 713 HD23 LEU 91 2HD2 LEU 91 -6.634 -4.528 4.188 714 H THR 92 H THR 92 -11.934 -3.040 0.860 715 HA THR 92 HA THR 92 -11.306 -1.229 -1.199 716 HB THR 92 HB THR 92 -13.995 -2.455 -0.450 717 HG1 THR 92 HG1 THR 92 -13.136 -4.164 -1.331 718 HG21 THR 92 3HG2 THR 92 -13.199 -1.122 -3.073 719 HG22 THR 92 1HG2 THR 92 -14.367 -0.481 -1.914 720 HG23 THR 92 2HG2 THR 92 -14.709 -1.985 -2.773 721 H GLN 93 H GLN 93 -13.541 -0.854 1.628 722 HA GLN 93 HA GLN 93 -14.159 1.861 0.888 723 HB2 GLN 93 2HB GLN 93 -15.401 2.060 2.980 724 HB3 GLN 93 3HB GLN 93 -15.828 0.594 2.121 725 HG2 GLN 93 2HG GLN 93 -15.810 -0.009 4.382 726 HG3 GLN 93 3HG GLN 93 -14.305 -0.652 3.738 727 HE21 GLN 93 1HE2 GLN 93 -14.699 2.764 4.550 728 HE22 GLN 93 2HE2 GLN 93 -13.666 2.734 5.935 729 H ARG 94 H ARG 94 -11.562 0.412 2.694 730 HA ARG 94 HA ARG 94 -10.746 2.840 4.035 731 HB2 ARG 94 2HB ARG 94 -9.295 0.213 3.544 732 HB3 ARG 94 3HB ARG 94 -8.569 1.557 4.416 733 HG2 ARG 94 2HG ARG 94 -11.102 0.120 5.264 734 HG3 ARG 94 3HG ARG 94 -9.490 -0.219 5.888 735 HD2 ARG 94 2HD ARG 94 -9.364 2.110 6.760 736 HD3 ARG 94 3HD ARG 94 -11.010 2.392 6.180 737 HE ARG 94 HE ARG 94 -11.816 0.795 7.770 738 HH11 ARG 94 1HH1 ARG 94 -8.430 1.658 8.273 739 HH12 ARG 94 2HH1 ARG 94 -8.426 1.108 9.916 740 HH21 ARG 94 1HH2 ARG 94 -11.759 0.053 9.899 741 HH22 ARG 94 2HH2 ARG 94 -10.315 0.202 10.831 742 H VAL 95 H VAL 95 -10.163 1.376 0.890 743 HA VAL 95 HA VAL 95 -7.987 2.946 0.042 744 HB VAL 95 HB VAL 95 -10.273 1.797 -1.641 745 HG11 VAL 95 1HG1 VAL 95 -7.630 2.969 -2.595 746 HG12 VAL 95 2HG1 VAL 95 -9.234 3.653 -2.866 747 HG13 VAL 95 3HG1 VAL 95 -8.795 2.118 -3.615 748 HG21 VAL 95 3HG2 VAL 95 -7.449 0.753 -1.189 749 HG22 VAL 95 1HG2 VAL 95 -8.635 0.044 -2.290 750 HG23 VAL 95 2HG2 VAL 95 -8.932 0.046 -0.554 751 H ARG 96 H ARG 96 -11.551 3.521 -0.420 752 HA ARG 96 HA ARG 96 -11.265 6.063 -1.599 753 HB2 ARG 96 2HB ARG 96 -13.666 6.468 -1.049 754 HB3 ARG 96 3HB ARG 96 -13.376 4.930 -1.849 755 HG2 ARG 96 2HG ARG 96 -13.737 3.692 0.131 756 HG3 ARG 96 3HG ARG 96 -13.616 5.127 1.152 757 HD2 ARG 96 2HD ARG 96 -15.917 4.407 1.008 758 HD3 ARG 96 3HD ARG 96 -15.731 5.965 0.208 759 HE ARG 96 HE ARG 96 -15.557 4.365 -1.886 760 HH11 ARG 96 1HH1 ARG 96 -17.844 4.206 0.808 761 HH12 ARG 96 2HH1 ARG 96 -19.109 3.502 -0.155 762 HH21 ARG 96 1HH2 ARG 96 -17.242 3.507 -3.141 763 HH22 ARG 96 2HH2 ARG 96 -18.756 3.108 -2.403 764 H GLU 97 H GLU 97 -11.731 5.229 1.879 765 HA GLU 97 HA GLU 97 -11.972 7.803 2.957 766 HB2 GLU 97 2HB GLU 97 -10.551 5.393 4.172 767 HB3 GLU 97 3HB GLU 97 -11.005 6.837 5.071 768 HG2 GLU 97 2HG GLU 97 -12.921 4.918 3.732 769 HG3 GLU 97 3HG GLU 97 -12.553 4.968 5.449 770 H PHE 98 H PHE 98 -9.073 5.876 2.285 771 HA PHE 98 HA PHE 98 -7.116 7.717 3.055 772 HB2 PHE 98 2HB PHE 98 -6.501 5.402 2.658 773 HB3 PHE 98 3HB PHE 98 -7.011 5.499 0.975 774 HD1 PHE 98 HD1 PHE 98 -4.547 6.953 3.398 775 HD2 PHE 98 HD2 PHE 98 -5.420 6.079 -0.702 776 HE1 PHE 98 HE1 PHE 98 -2.290 7.678 2.753 777 HE2 PHE 98 HE2 PHE 98 -3.157 6.804 -1.332 778 HZ PHE 98 HZ PHE 98 -1.600 7.607 0.391 779 H LEU 99 H LEU 99 -8.711 7.232 -0.125 780 HA LEU 99 HA LEU 99 -7.081 8.938 -1.651 781 HB2 LEU 99 2HB LEU 99 -10.015 8.272 -2.121 782 HB3 LEU 99 3HB LEU 99 -8.911 8.919 -3.326 783 HG LEU 99 HG LEU 99 -8.653 6.198 -2.012 784 HD11 LEU 99 1HD1 LEU 99 -10.590 6.232 -3.448 785 HD12 LEU 99 2HD1 LEU 99 -9.319 5.252 -4.172 786 HD13 LEU 99 3HD1 LEU 99 -9.635 6.878 -4.783 787 HD21 LEU 99 3HD2 LEU 99 -6.917 5.728 -3.692 788 HD22 LEU 99 1HD2 LEU 99 -6.461 7.049 -2.616 789 HD23 LEU 99 2HD2 LEU 99 -7.014 7.397 -4.255 790 H LYS 100 H LYS 100 -9.940 9.652 0.307 791 HA LYS 100 HA LYS 100 -10.273 12.381 -0.445 792 HB2 LYS 100 2HB LYS 100 -11.177 10.736 1.927 793 HB3 LYS 100 3HB LYS 100 -11.334 12.484 2.005 794 HG2 LYS 100 2HG LYS 100 -13.435 11.521 1.318 795 HG3 LYS 100 3HG LYS 100 -12.752 12.447 -0.022 796 HD2 LYS 100 2HD LYS 100 -12.053 10.405 -1.141 797 HD3 LYS 100 3HD LYS 100 -12.535 9.429 0.248 798 HE2 LYS 100 2HE LYS 100 -14.410 11.050 -1.501 799 HE3 LYS 100 3HE LYS 100 -14.188 9.302 -1.579 800 HZ1 LYS 100 3HZ LYS 100 -15.006 9.160 0.713 801 HZ2 LYS 100 1HZ LYS 100 -16.151 9.848 -0.321 802 HZ3 LYS 100 2HZ LYS 100 -15.267 10.827 0.735 803 H THR 101 H THR 101 -8.670 10.901 2.430 804 HA THR 101 HA THR 101 -7.584 13.414 3.329 805 HB THR 101 HB THR 101 -8.087 11.663 4.963 806 HG1 THR 101 HG1 THR 101 -6.161 13.213 5.131 807 HG21 THR 101 3HG2 THR 101 -5.775 10.101 3.777 808 HG22 THR 101 1HG2 THR 101 -7.483 9.657 3.666 809 HG23 THR 101 2HG2 THR 101 -6.675 9.677 5.233 810 H ALA 102 H ALA 102 -6.556 11.240 0.950 811 HA ALA 102 HA ALA 102 -3.713 11.817 1.008 812 HB1 ALA 102 3HB ALA 102 -3.659 10.445 -1.040 813 HB2 ALA 102 1HB ALA 102 -5.421 10.390 -1.059 814 HB3 ALA 102 2HB ALA 102 -4.524 9.625 0.253 815 H GLY 103 H GLY 103 -6.592 12.814 -0.785 816 HA2 GLY 103 2HA GLY 103 -5.125 14.854 -2.325 817 HA3 GLY 103 3HA GLY 103 -6.808 14.381 -2.531 818 H SER 104 H SER 104 -5.466 15.003 0.634 819 HA SER 104 HA SER 104 -6.392 17.745 0.810 820 HB2 SER 104 2HB SER 104 -8.483 16.471 1.241 821 HB3 SER 104 3HB SER 104 -7.676 15.549 2.509 822 HG SER 104 HG SER 104 -7.654 17.296 3.795 823 H LEU 105 H LEU 105 -5.746 18.736 2.836 824 HA LEU 105 HA LEU 105 -3.657 17.313 4.384 825 HB2 LEU 105 2HB LEU 105 -3.558 20.173 3.314 826 HB3 LEU 105 3HB LEU 105 -2.435 19.546 4.509 827 HG LEU 105 HG LEU 105 -2.709 18.508 1.659 828 HD11 LEU 105 1HD1 LEU 105 -0.541 20.266 2.851 829 HD12 LEU 105 2HD1 LEU 105 -1.760 20.755 1.671 830 HD13 LEU 105 3HD1 LEU 105 -0.540 19.565 1.229 831 HD21 LEU 105 3HD2 LEU 105 -0.651 17.232 2.124 832 HD22 LEU 105 1HD2 LEU 105 -1.979 16.735 3.171 833 HD23 LEU 105 2HD2 LEU 105 -0.692 17.763 3.807 834 H GLU 106 H GLU 106 -4.747 17.007 6.249 835 HA GLU 106 HA GLU 106 -6.505 19.001 7.447 836 HB2 GLU 106 2HB GLU 106 -5.451 16.391 8.658 837 HB3 GLU 106 3HB GLU 106 -6.767 17.370 9.292 838 HG2 GLU 106 2HG GLU 106 -7.700 15.420 8.234 839 HG3 GLU 106 3HG GLU 106 -8.100 16.834 7.259 840 H HIS 107 H HIS 107 -6.021 20.097 9.474 841 HA HIS 107 HA HIS 107 -3.216 20.405 10.166 842 HB2 HIS 107 2HB HIS 107 -4.885 22.298 10.387 843 HB3 HIS 107 3HB HIS 107 -5.658 21.415 11.698 844 HD1 HIS 107 HD1 HIS 107 -4.965 22.406 13.891 845 HD2 HIS 107 HD2 HIS 107 -1.893 22.539 11.095 846 HE1 HIS 107 HE1 HIS 107 -3.002 23.437 15.082 847 HE2 HIS 107 HE2 HIS 107 -1.239 23.679 13.308 848 H HIS 108 H HIS 108 -2.667 18.292 10.584 849 HA HIS 108 HA HIS 108 -4.160 16.419 12.056 850 HB2 HIS 108 2HB HIS 108 -1.181 16.412 11.424 851 HB3 HIS 108 3HB HIS 108 -2.103 15.017 11.976 852 HD1 HIS 108 HD1 HIS 108 -1.076 16.784 8.944 853 HD2 HIS 108 HD2 HIS 108 -4.110 14.149 10.016 854 HE1 HIS 108 HE1 HIS 108 -1.965 15.862 6.782 855 HE2 HIS 108 HE2 HIS 108 -3.774 14.250 7.460 856 H HIS 109 H HIS 109 -4.684 16.813 14.085 857 HA HIS 109 HA HIS 109 -2.851 17.844 16.090 858 HB2 HIS 109 2HB HIS 109 -5.615 16.610 16.513 859 HB3 HIS 109 3HB HIS 109 -4.739 17.662 17.622 860 HD1 HIS 109 HD1 HIS 109 -7.265 17.726 15.041 861 HD2 HIS 109 HD2 HIS 109 -4.448 20.416 16.488 862 HE1 HIS 109 HE1 HIS 109 -8.023 19.980 14.255 863 HE2 HIS 109 HE2 HIS 109 -6.444 21.599 15.347 864 H HIS 110 H HIS 110 -4.520 14.810 15.306 865 HA HIS 110 HA HIS 110 -3.009 13.189 17.161 866 HB2 HIS 110 2HB HIS 110 -5.335 12.601 16.546 867 HB3 HIS 110 3HB HIS 110 -4.867 12.412 14.862 868 HD1 HIS 110 HD1 HIS 110 -4.405 10.062 14.193 869 HD2 HIS 110 HD2 HIS 110 -3.922 10.615 18.282 870 HE1 HIS 110 HE1 HIS 110 -3.906 7.787 15.126 871 HE2 HIS 110 HE2 HIS 110 -3.358 8.208 17.543 872 H HIS 111 H HIS 111 -0.876 13.627 16.577 873 HA HIS 111 HA HIS 111 0.186 12.972 13.948 874 HB2 HIS 111 2HB HIS 111 1.687 13.520 16.554 875 HB3 HIS 111 3HB HIS 111 2.375 13.514 14.932 876 HD1 HIS 111 HD1 HIS 111 0.649 15.656 17.374 877 HD2 HIS 111 HD2 HIS 111 1.569 15.782 13.321 878 HE1 HIS 111 HE1 HIS 111 0.313 18.041 16.683 879 HE2 HIS 111 HE2 HIS 111 0.636 18.024 14.192 880 H HIS 112 H HIS 112 0.352 11.652 17.242 881 HA HIS 112 HA HIS 112 0.632 8.920 16.179 882 HB2 HIS 112 2HB HIS 112 2.910 9.663 16.899 883 HB3 HIS 112 3HB HIS 112 2.283 10.033 18.503 884 HD1 HIS 112 HD1 HIS 112 2.077 8.088 20.143 885 HD2 HIS 112 HD2 HIS 112 2.983 6.845 16.279 886 HE1 HIS 112 HE1 HIS 112 2.646 5.646 20.329 887 HE2 HIS 112 HE2 HIS 112 3.215 4.926 17.985 Start of MODEL 14 1 H1 MET 1 1H MET 1 4.311 17.010 0.528 2 H2 MET 1 2H MET 1 5.399 16.055 -0.341 3 H3 MET 1 3H MET 1 4.896 15.569 1.191 4 HA MET 1 HA MET 1 2.655 15.278 0.423 5 HB2 MET 1 2HB MET 1 3.835 16.041 -2.291 6 HB3 MET 1 3HB MET 1 2.235 15.332 -2.076 7 HG2 MET 1 2HG MET 1 3.130 17.990 -0.940 8 HG3 MET 1 3HG MET 1 2.139 17.773 -2.389 9 HE1 MET 1 3HE MET 1 0.279 19.432 -1.284 10 HE2 MET 1 1HE MET 1 1.254 19.603 0.179 11 HE3 MET 1 2HE MET 1 -0.445 19.145 0.299 12 H GLY 2 H GLY 2 1.983 13.279 -0.767 13 HA2 GLY 2 2HA GLY 2 2.615 11.168 -1.771 14 HA3 GLY 2 3HA GLY 2 4.216 11.330 -1.052 15 H LYS 3 H LYS 3 0.776 11.151 -0.179 16 HA LYS 3 HA LYS 3 1.411 9.916 2.411 17 HB2 LYS 3 2HB LYS 3 -0.364 11.812 2.039 18 HB3 LYS 3 3HB LYS 3 -1.363 10.554 1.334 19 HG2 LYS 3 2HG LYS 3 -2.110 10.724 3.569 20 HG3 LYS 3 3HG LYS 3 -1.077 9.292 3.568 21 HD2 LYS 3 2HD LYS 3 0.788 10.632 4.491 22 HD3 LYS 3 3HD LYS 3 -0.229 12.075 4.471 23 HE2 LYS 3 2HE LYS 3 -0.144 11.210 6.723 24 HE3 LYS 3 3HE LYS 3 -1.769 10.926 6.097 25 HZ1 LYS 3 3HZ LYS 3 -1.011 8.626 5.563 26 HZ2 LYS 3 1HZ LYS 3 -1.054 8.985 7.212 27 HZ3 LYS 3 2HZ LYS 3 0.425 8.953 6.400 28 H VAL 4 H VAL 4 1.647 7.696 2.362 29 HA VAL 4 HA VAL 4 0.164 6.161 0.294 30 HB VAL 4 HB VAL 4 2.650 6.163 -0.004 31 HG11 VAL 4 1HG1 VAL 4 2.741 4.567 2.574 32 HG12 VAL 4 2HG1 VAL 4 3.349 6.211 2.350 33 HG13 VAL 4 3HG1 VAL 4 4.099 4.870 1.484 34 HG21 VAL 4 3HG2 VAL 4 1.306 4.342 -0.936 35 HG22 VAL 4 1HG2 VAL 4 1.442 3.437 0.573 36 HG23 VAL 4 2HG2 VAL 4 2.877 3.737 -0.411 37 H LEU 5 H LEU 5 -0.844 4.247 0.836 38 HA LEU 5 HA LEU 5 -1.138 3.628 3.723 39 HB2 LEU 5 2HB LEU 5 -3.221 4.321 2.591 40 HB3 LEU 5 3HB LEU 5 -3.016 3.049 1.398 41 HG LEU 5 HG LEU 5 -3.328 1.328 3.146 42 HD11 LEU 5 1HD1 LEU 5 -4.069 1.953 5.421 43 HD12 LEU 5 2HD1 LEU 5 -3.697 3.641 5.062 44 HD13 LEU 5 3HD1 LEU 5 -2.408 2.433 5.076 45 HD21 LEU 5 3HD2 LEU 5 -5.722 1.668 3.560 46 HD22 LEU 5 1HD2 LEU 5 -5.296 2.129 1.911 47 HD23 LEU 5 2HD2 LEU 5 -5.572 3.374 3.132 48 H LEU 6 H LEU 6 0.393 2.121 4.081 49 HA LEU 6 HA LEU 6 1.003 -0.106 2.397 50 HB2 LEU 6 2HB LEU 6 2.581 0.952 4.060 51 HB3 LEU 6 3HB LEU 6 1.571 0.355 5.364 52 HG LEU 6 HG LEU 6 2.108 -1.998 4.652 53 HD11 LEU 6 1HD1 LEU 6 2.598 -1.634 2.305 54 HD12 LEU 6 2HD1 LEU 6 3.968 -2.400 3.103 55 HD13 LEU 6 3HD1 LEU 6 4.025 -0.679 2.717 56 HD21 LEU 6 3HD2 LEU 6 4.398 -2.023 5.561 57 HD22 LEU 6 1HD2 LEU 6 3.368 -0.919 6.474 58 HD23 LEU 6 2HD2 LEU 6 4.532 -0.280 5.312 59 H VAL 7 H VAL 7 -1.020 -1.124 1.996 60 HA VAL 7 HA VAL 7 -2.669 -2.198 4.119 61 HB VAL 7 HB VAL 7 -2.743 -2.726 1.100 62 HG11 VAL 7 1HG1 VAL 7 -3.704 -4.647 2.288 63 HG12 VAL 7 2HG1 VAL 7 -4.980 -3.731 1.487 64 HG13 VAL 7 3HG1 VAL 7 -4.749 -3.579 3.230 65 HG21 VAL 7 3HG2 VAL 7 -3.296 -0.409 1.698 66 HG22 VAL 7 1HG2 VAL 7 -4.516 -0.972 2.844 67 HG23 VAL 7 2HG2 VAL 7 -4.727 -1.256 1.113 68 H ILE 8 H ILE 8 -1.585 -3.604 5.329 69 HA ILE 8 HA ILE 8 -0.170 -5.885 4.181 70 HB ILE 8 HB ILE 8 -0.552 -5.152 7.125 71 HG12 ILE 8 2HG1 ILE 8 1.813 -4.638 5.252 72 HG13 ILE 8 3HG1 ILE 8 0.730 -3.412 5.898 73 HG21 ILE 8 1HG2 ILE 8 1.330 -7.167 5.810 74 HG22 ILE 8 2HG2 ILE 8 -0.083 -7.562 6.793 75 HG23 ILE 8 3HG2 ILE 8 1.306 -6.761 7.528 76 HD11 ILE 8 3HD1 ILE 8 2.839 -3.425 7.047 77 HD12 ILE 8 1HD1 ILE 8 2.623 -5.117 7.491 78 HD13 ILE 8 2HD1 ILE 8 1.536 -3.886 8.140 79 H SER 9 H SER 9 -1.333 -7.508 3.580 80 HA SER 9 HA SER 9 -3.351 -8.706 5.356 81 HB2 SER 9 2HB SER 9 -3.710 -8.513 2.334 82 HB3 SER 9 3HB SER 9 -4.886 -9.085 3.510 83 HG SER 9 HG SER 9 -4.482 -6.728 4.314 84 H THR 10 H THR 10 -3.389 -11.016 5.158 85 HA THR 10 HA THR 10 -0.976 -12.207 3.997 86 HB THR 10 HB THR 10 -3.169 -13.534 5.670 87 HG1 THR 10 HG1 THR 10 -0.774 -12.196 6.393 88 HG21 THR 10 3HG2 THR 10 -0.300 -14.409 5.156 89 HG22 THR 10 1HG2 THR 10 -1.725 -15.139 4.412 90 HG23 THR 10 2HG2 THR 10 -1.485 -15.249 6.157 91 H ASP 11 H ASP 11 -4.515 -12.474 3.787 92 HA ASP 11 HA ASP 11 -4.604 -14.575 1.860 93 HB2 ASP 11 2HB ASP 11 -6.748 -12.556 2.660 94 HB3 ASP 11 3HB ASP 11 -7.036 -14.023 1.726 95 H THR 12 H THR 12 -3.432 -14.094 0.054 96 HA THR 12 HA THR 12 -3.284 -11.588 -1.251 97 HB THR 12 HB THR 12 -2.177 -12.856 -3.119 98 HG1 THR 12 HG1 THR 12 -2.432 -14.936 -3.253 99 HG21 THR 12 3HG2 THR 12 -1.206 -13.595 -0.324 100 HG22 THR 12 1HG2 THR 12 -0.788 -12.127 -1.210 101 HG23 THR 12 2HG2 THR 12 -0.243 -13.700 -1.799 102 H ASN 13 H ASN 13 -5.506 -14.217 -1.570 103 HA ASN 13 HA ASN 13 -6.770 -13.657 -3.994 104 HB2 ASN 13 2HB ASN 13 -8.035 -14.722 -1.418 105 HB3 ASN 13 3HB ASN 13 -8.772 -14.798 -3.018 106 HD21 ASN 13 1HD2 ASN 13 -8.883 -17.038 -3.059 107 HD22 ASN 13 2HD2 ASN 13 -7.490 -18.053 -3.161 108 H ILE 14 H ILE 14 -7.396 -12.386 -0.721 109 HA ILE 14 HA ILE 14 -9.544 -10.645 -1.418 110 HB ILE 14 HB ILE 14 -7.660 -10.525 0.992 111 HG12 ILE 14 2HG1 ILE 14 -8.892 -12.664 0.891 112 HG13 ILE 14 3HG1 ILE 14 -9.462 -11.691 2.239 113 HG21 ILE 14 1HG2 ILE 14 -10.342 -9.145 0.603 114 HG22 ILE 14 2HG2 ILE 14 -8.761 -8.361 0.662 115 HG23 ILE 14 3HG2 ILE 14 -9.401 -9.162 2.094 116 HD11 ILE 14 3HD1 ILE 14 -11.457 -11.071 0.913 117 HD12 ILE 14 1HD1 ILE 14 -11.301 -12.812 1.143 118 HD13 ILE 14 2HD1 ILE 14 -10.874 -12.089 -0.406 119 H ILE 15 H ILE 15 -6.076 -10.093 -0.838 120 HA ILE 15 HA ILE 15 -5.727 -7.393 -1.186 121 HB ILE 15 HB ILE 15 -3.913 -9.653 -2.148 122 HG12 ILE 15 2HG1 ILE 15 -3.942 -8.126 0.491 123 HG13 ILE 15 3HG1 ILE 15 -4.467 -9.788 0.252 124 HG21 ILE 15 1HG2 ILE 15 -2.035 -8.082 -2.025 125 HG22 ILE 15 2HG2 ILE 15 -3.138 -6.773 -1.602 126 HG23 ILE 15 3HG2 ILE 15 -3.240 -7.527 -3.192 127 HD11 ILE 15 3HD1 ILE 15 -2.168 -10.408 -0.358 128 HD12 ILE 15 1HD1 ILE 15 -2.296 -9.740 1.268 129 HD13 ILE 15 2HD1 ILE 15 -1.654 -8.748 -0.039 130 H SER 16 H SER 16 -5.743 -9.879 -3.718 131 HA SER 16 HA SER 16 -5.195 -8.158 -5.905 132 HB2 SER 16 2HB SER 16 -4.739 -10.654 -5.810 133 HB3 SER 16 3HB SER 16 -6.474 -10.927 -5.993 134 HG SER 16 HG SER 16 -6.275 -9.632 -7.967 135 H SER 17 H SER 17 -8.219 -9.692 -4.708 136 HA SER 17 HA SER 17 -9.989 -8.826 -6.684 137 HB2 SER 17 2HB SER 17 -10.573 -9.324 -3.735 138 HB3 SER 17 3HB SER 17 -11.778 -9.284 -5.031 139 HG SER 17 HG SER 17 -10.354 -11.349 -4.243 140 H VAL 18 H VAL 18 -9.259 -7.317 -3.565 141 HA VAL 18 HA VAL 18 -10.941 -5.084 -3.673 142 HB VAL 18 HB VAL 18 -8.291 -5.506 -2.212 143 HG11 VAL 18 1HG1 VAL 18 -10.261 -3.221 -1.814 144 HG12 VAL 18 2HG1 VAL 18 -8.625 -3.087 -2.461 145 HG13 VAL 18 3HG1 VAL 18 -8.871 -3.571 -0.786 146 HG21 VAL 18 3HG2 VAL 18 -9.704 -5.893 -0.235 147 HG22 VAL 18 1HG2 VAL 18 -10.108 -7.020 -1.531 148 HG23 VAL 18 2HG2 VAL 18 -11.157 -5.637 -1.205 149 H GLN 19 H GLN 19 -7.478 -5.396 -4.511 150 HA GLN 19 HA GLN 19 -7.048 -2.658 -5.006 151 HB2 GLN 19 2HB GLN 19 -5.231 -4.297 -4.497 152 HB3 GLN 19 3HB GLN 19 -5.444 -5.005 -6.100 153 HG2 GLN 19 2HG GLN 19 -4.865 -2.811 -7.114 154 HG3 GLN 19 3HG GLN 19 -4.595 -2.152 -5.505 155 HE21 GLN 19 1HE2 GLN 19 -3.289 -4.660 -4.572 156 HE22 GLN 19 2HE2 GLN 19 -1.725 -4.621 -5.295 157 H GLU 20 H GLU 20 -7.666 -5.376 -7.225 158 HA GLU 20 HA GLU 20 -7.399 -3.951 -9.655 159 HB2 GLU 20 2HB GLU 20 -8.929 -6.514 -9.045 160 HB3 GLU 20 3HB GLU 20 -8.603 -5.914 -10.671 161 HG2 GLU 20 2HG GLU 20 -6.174 -6.118 -10.271 162 HG3 GLU 20 3HG GLU 20 -6.485 -6.704 -8.637 163 H ARG 21 H ARG 21 -10.218 -4.561 -7.575 164 HA ARG 21 HA ARG 21 -12.163 -3.306 -9.252 165 HB2 ARG 21 2HB ARG 21 -12.117 -3.831 -6.249 166 HB3 ARG 21 3HB ARG 21 -13.499 -3.106 -7.070 167 HG2 ARG 21 2HG ARG 21 -13.664 -5.161 -8.497 168 HG3 ARG 21 3HG ARG 21 -12.363 -5.875 -7.543 169 HD2 ARG 21 2HD ARG 21 -13.771 -5.675 -5.503 170 HD3 ARG 21 3HD ARG 21 -15.080 -5.012 -6.495 171 HE ARG 21 HE ARG 21 -14.144 -7.545 -7.450 172 HH11 ARG 21 1HH1 ARG 21 -16.294 -6.086 -5.062 173 HH12 ARG 21 2HH1 ARG 21 -17.302 -7.492 -4.947 174 HH21 ARG 21 1HH2 ARG 21 -15.477 -9.368 -7.275 175 HH22 ARG 21 2HH2 ARG 21 -16.838 -9.341 -6.197 176 H ALA 22 H ALA 22 -9.980 -2.089 -6.735 177 HA ALA 22 HA ALA 22 -11.201 0.487 -6.439 178 HB1 ALA 22 3HB ALA 22 -9.890 -0.574 -4.637 179 HB2 ALA 22 1HB ALA 22 -9.253 1.019 -5.043 180 HB3 ALA 22 2HB ALA 22 -8.423 -0.435 -5.609 181 H LYS 23 H LYS 23 -8.472 -0.736 -8.365 182 HA LYS 23 HA LYS 23 -7.643 1.862 -9.345 183 HB2 LYS 23 2HB LYS 23 -6.898 -0.910 -10.398 184 HB3 LYS 23 3HB LYS 23 -6.090 0.605 -10.799 185 HG2 LYS 23 2HG LYS 23 -5.408 0.858 -8.419 186 HG3 LYS 23 3HG LYS 23 -6.187 -0.680 -8.055 187 HD2 LYS 23 2HD LYS 23 -3.821 -1.093 -8.274 188 HD3 LYS 23 3HD LYS 23 -4.615 -1.798 -9.683 189 HE2 LYS 23 2HE LYS 23 -3.942 0.122 -11.049 190 HE3 LYS 23 3HE LYS 23 -3.224 0.902 -9.635 191 HZ1 LYS 23 3HZ LYS 23 -2.328 -1.655 -10.869 192 HZ2 LYS 23 1HZ LYS 23 -1.670 -0.966 -9.465 193 HZ3 LYS 23 2HZ LYS 23 -1.532 -0.169 -10.945 194 H HIS 24 H HIS 24 -9.940 -0.546 -10.307 195 HA HIS 24 HA HIS 24 -10.323 0.475 -13.016 196 HB2 HIS 24 2HB HIS 24 -10.584 -1.943 -12.515 197 HB3 HIS 24 3HB HIS 24 -11.904 -1.589 -11.405 198 HD1 HIS 24 HD1 HIS 24 -11.050 -1.590 -15.079 199 HD2 HIS 24 HD2 HIS 24 -14.391 -1.311 -12.622 200 HE1 HIS 24 HE1 HIS 24 -13.025 -1.796 -16.607 201 HE2 HIS 24 HE2 HIS 24 -15.020 -1.812 -15.079 202 H ASN 25 H ASN 25 -11.776 0.731 -9.839 203 HA ASN 25 HA ASN 25 -14.155 2.158 -10.627 204 HB2 ASN 25 2HB ASN 25 -13.955 0.734 -8.524 205 HB3 ASN 25 3HB ASN 25 -12.878 1.954 -7.845 206 HD21 ASN 25 1HD2 ASN 25 -14.357 2.223 -6.109 207 HD22 ASN 25 2HD2 ASN 25 -15.835 3.102 -6.301 208 H TYR 26 H TYR 26 -10.898 2.950 -9.612 209 HA TYR 26 HA TYR 26 -11.369 5.818 -10.172 210 HB2 TYR 26 2HB TYR 26 -9.393 4.763 -8.098 211 HB3 TYR 26 3HB TYR 26 -9.842 6.442 -8.390 212 HD1 TYR 26 HD1 TYR 26 -12.410 7.004 -8.026 213 HD2 TYR 26 HD2 TYR 26 -10.448 3.613 -6.329 214 HE1 TYR 26 HE1 TYR 26 -14.207 6.802 -6.366 215 HE2 TYR 26 HE2 TYR 26 -12.236 3.409 -4.666 216 HH TYR 26 HH TYR 26 -15.200 5.025 -4.955 217 HA PRO 27 HA PRO 27 -8.101 4.124 -13.097 218 HB2 PRO 27 2HB PRO 27 -9.396 6.093 -14.955 219 HB3 PRO 27 3HB PRO 27 -9.012 4.377 -15.210 220 HG2 PRO 27 2HG PRO 27 -11.538 5.179 -14.878 221 HG3 PRO 27 3HG PRO 27 -10.975 3.634 -14.196 222 HD2 PRO 27 2HD PRO 27 -11.387 6.279 -12.794 223 HD3 PRO 27 3HD PRO 27 -11.830 4.636 -12.270 224 H GLY 28 H GLY 28 -9.165 7.382 -12.252 225 HA2 GLY 28 2HA GLY 28 -6.777 8.758 -13.136 226 HA3 GLY 28 3HA GLY 28 -8.076 9.420 -12.154 227 H ARG 29 H ARG 29 -7.352 6.722 -10.540 228 HA ARG 29 HA ARG 29 -5.315 7.971 -8.809 229 HB2 ARG 29 2HB ARG 29 -7.305 5.721 -8.277 230 HB3 ARG 29 3HB ARG 29 -6.037 6.185 -7.147 231 HG2 ARG 29 2HG ARG 29 -8.287 7.979 -8.090 232 HG3 ARG 29 3HG ARG 29 -8.208 7.151 -6.534 233 HD2 ARG 29 2HD ARG 29 -6.117 8.429 -6.015 234 HD3 ARG 29 3HD ARG 29 -6.331 9.313 -7.532 235 HE ARG 29 HE ARG 29 -8.682 9.507 -5.992 236 HH11 ARG 29 1HH1 ARG 29 -5.367 10.724 -6.048 237 HH12 ARG 29 2HH1 ARG 29 -5.772 12.181 -5.195 238 HH21 ARG 29 1HH2 ARG 29 -9.173 11.411 -4.862 239 HH22 ARG 29 2HH2 ARG 29 -7.920 12.565 -4.527 240 H GLU 30 H GLU 30 -3.664 6.637 -7.951 241 HA GLU 30 HA GLU 30 -2.864 4.323 -9.613 242 HB2 GLU 30 2HB GLU 30 -1.167 6.528 -8.380 243 HB3 GLU 30 3HB GLU 30 -0.496 5.045 -9.045 244 HG2 GLU 30 2HG GLU 30 -1.380 5.628 -11.272 245 HG3 GLU 30 3HG GLU 30 -2.069 7.111 -10.606 246 H ILE 31 H ILE 31 -2.326 2.521 -8.532 247 HA ILE 31 HA ILE 31 -1.799 2.547 -5.631 248 HB ILE 31 HB ILE 31 -3.790 0.675 -7.013 249 HG12 ILE 31 2HG1 ILE 31 -4.300 2.726 -4.802 250 HG13 ILE 31 3HG1 ILE 31 -4.725 2.945 -6.496 251 HG21 ILE 31 1HG2 ILE 31 -2.456 -0.532 -5.334 252 HG22 ILE 31 2HG2 ILE 31 -4.127 -0.367 -4.801 253 HG23 ILE 31 3HG2 ILE 31 -2.876 0.674 -4.118 254 HD11 ILE 31 3HD1 ILE 31 -6.658 2.318 -5.209 255 HD12 ILE 31 1HD1 ILE 31 -5.854 0.854 -4.644 256 HD13 ILE 31 2HD1 ILE 31 -6.258 1.040 -6.353 257 H ARG 32 H ARG 32 -0.304 1.005 -5.034 258 HA ARG 32 HA ARG 32 1.137 -0.404 -7.194 259 HB2 ARG 32 2HB ARG 32 2.022 0.711 -4.503 260 HB3 ARG 32 3HB ARG 32 3.053 -0.325 -5.481 261 HG2 ARG 32 2HG ARG 32 1.973 2.374 -6.348 262 HG3 ARG 32 3HG ARG 32 3.593 2.076 -5.718 263 HD2 ARG 32 2HD ARG 32 3.847 0.397 -7.679 264 HD3 ARG 32 3HD ARG 32 2.404 1.163 -8.345 265 HE ARG 32 HE ARG 32 3.612 3.235 -8.488 266 HH11 ARG 32 1HH1 ARG 32 5.625 0.398 -7.908 267 HH12 ARG 32 2HH1 ARG 32 7.071 1.155 -8.503 268 HH21 ARG 32 1HH2 ARG 32 5.522 4.212 -9.242 269 HH22 ARG 32 2HH2 ARG 32 7.008 3.307 -9.257 270 H THR 33 H THR 33 2.312 -2.338 -6.523 271 HA THR 33 HA THR 33 1.171 -3.959 -4.332 272 HB THR 33 HB THR 33 1.822 -5.011 -7.143 273 HG1 THR 33 HG1 THR 33 -0.250 -3.731 -6.652 274 HG21 THR 33 3HG2 THR 33 2.235 -6.710 -5.418 275 HG22 THR 33 1HG2 THR 33 0.778 -7.121 -6.328 276 HG23 THR 33 2HG2 THR 33 0.641 -6.417 -4.711 277 H ALA 34 H ALA 34 2.830 -4.780 -3.071 278 HA ALA 34 HA ALA 34 5.592 -4.736 -3.975 279 HB1 ALA 34 3HB ALA 34 5.064 -4.293 -1.615 280 HB2 ALA 34 1HB ALA 34 6.107 -5.708 -1.778 281 HB3 ALA 34 2HB ALA 34 4.382 -5.911 -1.455 282 H THR 35 H THR 35 5.954 -6.136 -5.579 283 HA THR 35 HA THR 35 5.101 -8.951 -5.482 284 HB THR 35 HB THR 35 6.591 -7.421 -7.672 285 HG1 THR 35 HG1 THR 35 3.935 -7.481 -6.952 286 HG21 THR 35 3HG2 THR 35 5.079 -10.063 -7.824 287 HG22 THR 35 1HG2 THR 35 6.832 -9.871 -7.934 288 HG23 THR 35 2HG2 THR 35 5.790 -9.209 -9.194 289 H SER 36 H SER 36 7.715 -6.972 -4.647 290 HA SER 36 HA SER 36 9.450 -9.119 -3.846 291 HB2 SER 36 2HB SER 36 10.058 -8.930 -6.262 292 HB3 SER 36 3HB SER 36 10.349 -7.203 -6.062 293 HG SER 36 HG SER 36 12.199 -8.792 -5.971 294 H SER 37 H SER 37 11.603 -8.038 -3.031 295 HA SER 37 HA SER 37 10.995 -5.999 -1.103 296 HB2 SER 37 2HB SER 37 13.739 -7.097 -1.855 297 HB3 SER 37 3HB SER 37 13.296 -6.286 -0.346 298 HG SER 37 HG SER 37 11.615 -8.179 -0.417 299 H GLN 38 H GLN 38 12.308 -6.026 -4.324 300 HA GLN 38 HA GLN 38 13.582 -3.489 -4.321 301 HB2 GLN 38 2HB GLN 38 14.060 -5.183 -6.062 302 HB3 GLN 38 3HB GLN 38 12.413 -5.058 -6.663 303 HG2 GLN 38 2HG GLN 38 13.664 -3.786 -8.180 304 HG3 GLN 38 3HG GLN 38 12.948 -2.573 -7.132 305 HE21 GLN 38 1HE2 GLN 38 15.118 -3.214 -4.982 306 HE22 GLN 38 2HE2 GLN 38 16.505 -2.406 -5.598 307 H ASP 39 H ASP 39 10.256 -4.536 -4.945 308 HA ASP 39 HA ASP 39 9.155 -2.151 -5.909 309 HB2 ASP 39 2HB ASP 39 7.862 -4.290 -4.157 310 HB3 ASP 39 3HB ASP 39 6.966 -2.973 -4.918 311 H ILE 40 H ILE 40 9.682 -3.232 -2.582 312 HA ILE 40 HA ILE 40 8.523 -1.200 -1.092 313 HB ILE 40 HB ILE 40 11.116 -2.723 -0.573 314 HG12 ILE 40 2HG1 ILE 40 9.159 -4.210 -0.745 315 HG13 ILE 40 3HG1 ILE 40 9.736 -4.169 0.913 316 HG21 ILE 40 1HG2 ILE 40 9.537 -1.002 1.356 317 HG22 ILE 40 2HG2 ILE 40 11.189 -0.735 0.791 318 HG23 ILE 40 3HG2 ILE 40 10.821 -2.114 1.826 319 HD11 ILE 40 3HD1 ILE 40 7.889 -2.651 1.508 320 HD12 ILE 40 1HD1 ILE 40 7.318 -4.177 0.831 321 HD13 ILE 40 2HD1 ILE 40 7.309 -2.720 -0.160 322 H ARG 41 H ARG 41 11.745 -1.260 -2.636 323 HA ARG 41 HA ARG 41 12.488 1.391 -1.707 324 HB2 ARG 41 2HB ARG 41 13.851 -0.482 -3.690 325 HB3 ARG 41 3HB ARG 41 14.554 1.007 -3.068 326 HG2 ARG 41 2HG ARG 41 13.847 -1.455 -1.452 327 HG3 ARG 41 3HG ARG 41 15.468 -0.917 -1.890 328 HD2 ARG 41 2HD ARG 41 15.071 1.176 -0.566 329 HD3 ARG 41 3HD ARG 41 13.519 0.514 -0.052 330 HE ARG 41 HE ARG 41 14.872 -1.367 0.933 331 HH11 ARG 41 1HH1 ARG 41 16.206 1.867 0.606 332 HH12 ARG 41 2HH1 ARG 41 17.300 1.677 1.938 333 HH21 ARG 41 1HH2 ARG 41 16.271 -1.573 2.704 334 HH22 ARG 41 2HH2 ARG 41 17.335 -0.263 3.119 335 H ASP 42 H ASP 42 11.111 0.015 -4.617 336 HA ASP 42 HA ASP 42 11.800 2.140 -6.428 337 HB2 ASP 42 2HB ASP 42 11.492 -0.180 -7.233 338 HB3 ASP 42 3HB ASP 42 9.817 -0.175 -6.693 339 H ILE 43 H ILE 43 8.944 1.248 -4.544 340 HA ILE 43 HA ILE 43 7.140 3.160 -5.658 341 HB ILE 43 HB ILE 43 7.011 1.702 -2.968 342 HG12 ILE 43 2HG1 ILE 43 5.469 1.014 -5.517 343 HG13 ILE 43 3HG1 ILE 43 7.023 0.284 -5.134 344 HG21 ILE 43 1HG2 ILE 43 4.836 3.243 -4.446 345 HG22 ILE 43 2HG2 ILE 43 5.586 3.699 -2.914 346 HG23 ILE 43 3HG2 ILE 43 4.583 2.255 -3.007 347 HD11 ILE 43 3HD1 ILE 43 5.202 -1.177 -4.520 348 HD12 ILE 43 1HD1 ILE 43 4.525 0.065 -3.465 349 HD13 ILE 43 2HD1 ILE 43 6.091 -0.658 -3.089 350 H ILE 44 H ILE 44 9.045 3.059 -2.609 351 HA ILE 44 HA ILE 44 8.376 5.623 -1.658 352 HB ILE 44 HB ILE 44 10.876 3.948 -1.134 353 HG12 ILE 44 2HG1 ILE 44 8.312 4.289 0.507 354 HG13 ILE 44 3HG1 ILE 44 8.725 2.875 -0.456 355 HG21 ILE 44 1HG2 ILE 44 11.233 5.330 0.893 356 HG22 ILE 44 2HG2 ILE 44 9.893 6.376 0.418 357 HG23 ILE 44 3HG2 ILE 44 11.346 6.304 -0.578 358 HD11 ILE 44 3HD1 ILE 44 9.118 2.464 1.879 359 HD12 ILE 44 1HD1 ILE 44 10.200 3.854 1.980 360 HD13 ILE 44 2HD1 ILE 44 10.645 2.454 0.998 361 H LYS 45 H LYS 45 10.998 4.538 -3.823 362 HA LYS 45 HA LYS 45 12.365 6.951 -4.275 363 HB2 LYS 45 2HB LYS 45 13.163 4.770 -5.120 364 HB3 LYS 45 3HB LYS 45 11.771 4.644 -6.185 365 HG2 LYS 45 2HG LYS 45 13.697 5.239 -7.506 366 HG3 LYS 45 3HG LYS 45 12.600 6.619 -7.469 367 HD2 LYS 45 2HD LYS 45 14.892 7.397 -7.232 368 HD3 LYS 45 3HD LYS 45 14.041 7.667 -5.709 369 HE2 LYS 45 2HE LYS 45 15.075 5.629 -4.772 370 HE3 LYS 45 3HE LYS 45 15.899 5.338 -6.305 371 HZ1 LYS 45 3HZ LYS 45 17.353 6.389 -4.678 372 HZ2 LYS 45 1HZ LYS 45 16.310 7.712 -4.565 373 HZ3 LYS 45 2HZ LYS 45 17.112 7.395 -6.015 374 H SER 46 H SER 46 9.510 5.589 -5.873 375 HA SER 46 HA SER 46 9.134 7.598 -7.850 376 HB2 SER 46 2HB SER 46 8.271 5.284 -8.066 377 HB3 SER 46 3HB SER 46 7.186 5.545 -6.700 378 HG SER 46 HG SER 46 5.841 6.552 -7.978 379 H MET 47 H MET 47 8.118 7.287 -4.513 380 HA MET 47 HA MET 47 6.041 9.311 -4.576 381 HB2 MET 47 2HB MET 47 7.391 7.814 -2.293 382 HB3 MET 47 3HB MET 47 6.109 8.996 -2.056 383 HG2 MET 47 2HG MET 47 4.551 7.601 -3.311 384 HG3 MET 47 3HG MET 47 5.842 6.442 -3.646 385 HE1 MET 47 3HE MET 47 4.503 7.361 0.663 386 HE2 MET 47 1HE MET 47 3.878 8.245 -0.726 387 HE3 MET 47 2HE MET 47 5.582 8.388 -0.278 388 H LYS 48 H LYS 48 9.403 9.073 -3.472 389 HA LYS 48 HA LYS 48 9.593 11.697 -2.358 390 HB2 LYS 48 2HB LYS 48 11.750 9.780 -3.346 391 HB3 LYS 48 3HB LYS 48 12.079 11.275 -2.470 392 HG2 LYS 48 2HG LYS 48 10.979 10.442 -0.474 393 HG3 LYS 48 3HG LYS 48 10.396 9.015 -1.338 394 HD2 LYS 48 2HD LYS 48 12.321 8.426 0.066 395 HD3 LYS 48 3HD LYS 48 12.727 8.235 -1.641 396 HE2 LYS 48 2HE LYS 48 13.855 10.458 -1.573 397 HE3 LYS 48 3HE LYS 48 13.518 10.544 0.159 398 HZ1 LYS 48 3HZ LYS 48 14.766 8.386 0.345 399 HZ2 LYS 48 1HZ LYS 48 15.704 9.729 -0.070 400 HZ3 LYS 48 2HZ LYS 48 15.269 8.606 -1.255 401 H ASP 49 H ASP 49 10.018 10.335 -5.525 402 HA ASP 49 HA ASP 49 11.207 12.653 -6.780 403 HB2 ASP 49 2HB ASP 49 11.665 10.336 -7.553 404 HB3 ASP 49 3HB ASP 49 9.972 10.128 -7.986 405 H ASN 50 H ASN 50 7.979 11.177 -6.623 406 HA ASN 50 HA ASN 50 6.766 13.728 -7.476 407 HB2 ASN 50 2HB ASN 50 6.770 12.172 -9.437 408 HB3 ASN 50 3HB ASN 50 5.887 10.978 -8.491 409 HD21 ASN 50 1HD2 ASN 50 5.372 14.515 -8.628 410 HD22 ASN 50 2HD2 ASN 50 3.772 14.410 -9.272 411 H GLY 51 H GLY 51 5.909 14.330 -5.576 412 HA2 GLY 51 2HA GLY 51 5.016 12.564 -3.511 413 HA3 GLY 51 3HA GLY 51 4.876 14.314 -3.531 414 H LYS 52 H LYS 52 3.243 11.315 -4.091 415 HA LYS 52 HA LYS 52 0.680 12.707 -4.526 416 HB2 LYS 52 2HB LYS 52 0.101 11.079 -6.359 417 HB3 LYS 52 3HB LYS 52 1.405 12.184 -6.777 418 HG2 LYS 52 2HG LYS 52 3.058 10.389 -6.270 419 HG3 LYS 52 3HG LYS 52 1.719 9.278 -5.958 420 HD2 LYS 52 2HD LYS 52 0.969 9.462 -8.287 421 HD3 LYS 52 3HD LYS 52 2.186 10.705 -8.608 422 HE2 LYS 52 2HE LYS 52 3.973 9.038 -8.127 423 HE3 LYS 52 3HE LYS 52 2.733 7.800 -7.911 424 HZ1 LYS 52 3HZ LYS 52 3.686 7.732 -10.124 425 HZ2 LYS 52 1HZ LYS 52 3.227 9.331 -10.408 426 HZ3 LYS 52 2HZ LYS 52 2.052 8.140 -10.207 427 HA PRO 53 HA PRO 53 -0.918 9.640 -1.601 428 HB2 PRO 53 2HB PRO 53 -3.462 9.848 -3.215 429 HB3 PRO 53 3HB PRO 53 -3.208 10.069 -1.468 430 HG2 PRO 53 2HG PRO 53 -3.613 12.185 -3.019 431 HG3 PRO 53 3HG PRO 53 -2.396 12.258 -1.720 432 HD2 PRO 53 2HD PRO 53 -1.977 11.841 -4.682 433 HD3 PRO 53 3HD PRO 53 -1.078 12.879 -3.551 434 H LEU 54 H LEU 54 -0.218 7.595 -1.824 435 HA LEU 54 HA LEU 54 -1.238 5.895 -4.029 436 HB2 LEU 54 2HB LEU 54 1.516 5.879 -2.718 437 HB3 LEU 54 3HB LEU 54 0.925 4.535 -3.681 438 HG LEU 54 HG LEU 54 1.455 7.362 -4.695 439 HD11 LEU 54 1HD1 LEU 54 3.508 6.073 -4.300 440 HD12 LEU 54 2HD1 LEU 54 3.249 6.357 -6.015 441 HD13 LEU 54 3HD1 LEU 54 2.909 4.766 -5.325 442 HD21 LEU 54 3HD2 LEU 54 0.415 4.948 -6.206 443 HD22 LEU 54 1HD2 LEU 54 0.916 6.481 -6.933 444 HD23 LEU 54 2HD2 LEU 54 -0.469 6.433 -5.843 445 H VAL 55 H VAL 55 -1.116 3.532 -3.424 446 HA VAL 55 HA VAL 55 -1.407 2.897 -0.560 447 HB VAL 55 HB VAL 55 -3.409 1.974 -2.722 448 HG11 VAL 55 1HG1 VAL 55 -2.987 0.213 -1.081 449 HG12 VAL 55 2HG1 VAL 55 -4.614 0.860 -0.881 450 HG13 VAL 55 3HG1 VAL 55 -3.337 1.325 0.247 451 HG21 VAL 55 3HG2 VAL 55 -3.921 3.837 -0.363 452 HG22 VAL 55 1HG2 VAL 55 -5.149 3.212 -1.469 453 HG23 VAL 55 2HG2 VAL 55 -3.894 4.297 -2.066 454 H VAL 56 H VAL 56 0.120 1.291 -0.219 455 HA VAL 56 HA VAL 56 0.905 -0.486 -2.459 456 HB VAL 56 HB VAL 56 2.268 -0.047 0.250 457 HG11 VAL 56 1HG1 VAL 56 3.235 -1.705 -2.124 458 HG12 VAL 56 2HG1 VAL 56 2.696 -2.337 -0.565 459 HG13 VAL 56 3HG1 VAL 56 4.159 -1.357 -0.659 460 HG21 VAL 56 3HG2 VAL 56 3.079 0.888 -2.521 461 HG22 VAL 56 1HG2 VAL 56 3.994 1.131 -1.034 462 HG23 VAL 56 2HG2 VAL 56 2.421 1.899 -1.235 463 H PHE 57 H PHE 57 -0.544 -2.152 -2.536 464 HA PHE 57 HA PHE 57 -1.235 -3.735 -0.211 465 HB2 PHE 57 2HB PHE 57 -1.598 -4.109 -3.199 466 HB3 PHE 57 3HB PHE 57 -2.014 -5.369 -2.052 467 HD1 PHE 57 HD1 PHE 57 -2.792 -1.825 -2.964 468 HD2 PHE 57 HD2 PHE 57 -4.139 -5.382 -1.013 469 HE1 PHE 57 HE1 PHE 57 -5.033 -0.841 -2.697 470 HE2 PHE 57 HE2 PHE 57 -6.369 -4.392 -0.748 471 HZ PHE 57 HZ PHE 57 -6.817 -2.120 -1.585 472 H VAL 58 H VAL 58 0.447 -4.751 0.788 473 HA VAL 58 HA VAL 58 2.551 -6.063 -0.774 474 HB VAL 58 HB VAL 58 3.548 -6.719 1.419 475 HG11 VAL 58 1HG1 VAL 58 4.214 -4.623 0.354 476 HG12 VAL 58 2HG1 VAL 58 4.250 -4.450 2.105 477 HG13 VAL 58 3HG1 VAL 58 2.917 -3.755 1.176 478 HG21 VAL 58 3HG2 VAL 58 2.701 -5.767 3.538 479 HG22 VAL 58 1HG2 VAL 58 1.539 -6.885 2.821 480 HG23 VAL 58 2HG2 VAL 58 1.278 -5.146 2.694 481 H ASN 59 H ASN 59 2.243 -8.013 -1.601 482 HA ASN 59 HA ASN 59 -0.034 -9.631 -0.832 483 HB2 ASN 59 2HB ASN 59 2.041 -10.031 -3.024 484 HB3 ASN 59 3HB ASN 59 0.719 -11.155 -2.717 485 HD21 ASN 59 1HD2 ASN 59 -0.144 -10.826 -4.772 486 HD22 ASN 59 2HD2 ASN 59 -0.967 -9.372 -5.209 487 H GLY 60 H GLY 60 0.572 -10.114 1.287 488 HA2 GLY 60 2HA GLY 60 1.350 -11.442 2.969 489 HA3 GLY 60 3HA GLY 60 1.639 -12.659 1.734 490 H ALA 61 H ALA 61 3.233 -9.557 1.634 491 HA ALA 61 HA ALA 61 5.858 -10.621 1.541 492 HB1 ALA 61 3HB ALA 61 6.613 -8.280 1.574 493 HB2 ALA 61 1HB ALA 61 5.007 -7.747 2.073 494 HB3 ALA 61 2HB ALA 61 5.242 -8.464 0.479 495 H SER 62 H SER 62 7.533 -10.499 3.112 496 HA SER 62 HA SER 62 6.637 -11.316 5.704 497 HB2 SER 62 2HB SER 62 9.484 -10.743 4.776 498 HB3 SER 62 3HB SER 62 8.996 -11.773 6.126 499 HG SER 62 HG SER 62 7.711 -12.711 4.074 500 H GLN 63 H GLN 63 7.601 -10.413 7.729 501 HA GLN 63 HA GLN 63 6.876 -7.715 8.076 502 HB2 GLN 63 2HB GLN 63 6.740 -9.349 9.930 503 HB3 GLN 63 3HB GLN 63 8.494 -9.511 9.948 504 HG2 GLN 63 2HG GLN 63 7.621 -8.057 11.782 505 HG3 GLN 63 3HG GLN 63 8.766 -7.230 10.721 506 HE21 GLN 63 1HE2 GLN 63 8.076 -5.188 11.044 507 HE22 GLN 63 2HE2 GLN 63 6.510 -4.597 10.618 508 H ASN 64 H ASN 64 9.949 -9.230 7.325 509 HA ASN 64 HA ASN 64 11.721 -7.108 7.807 510 HB2 ASN 64 2HB ASN 64 11.805 -9.385 5.787 511 HB3 ASN 64 3HB ASN 64 13.100 -8.192 5.883 512 HD21 ASN 64 1HD2 ASN 64 14.567 -9.825 6.452 513 HD22 ASN 64 2HD2 ASN 64 14.597 -10.514 8.037 514 H ASP 65 H ASP 65 9.827 -7.877 4.872 515 HA ASP 65 HA ASP 65 10.646 -5.727 3.238 516 HB2 ASP 65 2HB ASP 65 7.949 -7.170 3.272 517 HB3 ASP 65 3HB ASP 65 8.530 -6.150 1.958 518 H VAL 66 H VAL 66 7.995 -6.027 5.544 519 HA VAL 66 HA VAL 66 6.762 -3.514 5.286 520 HB VAL 66 HB VAL 66 6.997 -5.320 7.744 521 HG11 VAL 66 1HG1 VAL 66 6.333 -3.061 8.435 522 HG12 VAL 66 2HG1 VAL 66 4.987 -4.184 8.615 523 HG13 VAL 66 3HG1 VAL 66 5.023 -3.061 7.253 524 HG21 VAL 66 3HG2 VAL 66 4.782 -6.192 7.067 525 HG22 VAL 66 1HG2 VAL 66 5.993 -6.459 5.812 526 HG23 VAL 66 2HG2 VAL 66 4.811 -5.161 5.633 527 H ASN 67 H ASN 67 9.480 -4.605 7.299 528 HA ASN 67 HA ASN 67 9.861 -2.273 8.856 529 HB2 ASN 67 2HB ASN 67 11.861 -4.447 8.073 530 HB3 ASN 67 3HB ASN 67 12.221 -3.165 9.227 531 HD21 ASN 67 1HD2 ASN 67 12.175 -6.050 9.589 532 HD22 ASN 67 2HD2 ASN 67 11.055 -6.358 10.864 533 H GLU 68 H GLU 68 11.353 -3.377 5.824 534 HA GLU 68 HA GLU 68 13.177 -1.301 5.387 535 HB2 GLU 68 2HB GLU 68 11.640 -2.911 3.297 536 HB3 GLU 68 3HB GLU 68 13.098 -1.977 2.987 537 HG2 GLU 68 2HG GLU 68 12.935 -4.371 4.824 538 HG3 GLU 68 3HG GLU 68 13.495 -4.422 3.157 539 H PHE 69 H PHE 69 9.772 -1.621 4.470 540 HA PHE 69 HA PHE 69 9.536 0.707 2.907 541 HB2 PHE 69 2HB PHE 69 7.924 -1.261 2.933 542 HB3 PHE 69 3HB PHE 69 7.277 -0.652 4.454 543 HD1 PHE 69 HD2 PHE 69 7.604 0.017 0.821 544 HD2 PHE 69 HD1 PHE 69 5.784 1.297 4.476 545 HE1 PHE 69 HE2 PHE 69 6.096 1.494 -0.442 546 HE2 PHE 69 HE1 PHE 69 4.284 2.776 3.205 547 HZ PHE 69 HZ PHE 69 4.440 2.873 0.749 548 H GLN 70 H GLN 70 8.554 0.105 6.288 549 HA GLN 70 HA GLN 70 7.543 2.693 6.785 550 HB2 GLN 70 2HB GLN 70 8.483 0.571 8.756 551 HB3 GLN 70 3HB GLN 70 7.552 2.005 9.189 552 HG2 GLN 70 2HG GLN 70 5.670 1.232 7.822 553 HG3 GLN 70 3HG GLN 70 6.597 -0.175 7.305 554 HE21 GLN 70 1HE2 GLN 70 7.735 -0.625 10.011 555 HE22 GLN 70 2HE2 GLN 70 6.442 -1.283 10.937 556 H ASN 71 H ASN 71 10.743 1.248 7.377 557 HA ASN 71 HA ASN 71 11.858 3.368 8.892 558 HB2 ASN 71 2HB ASN 71 13.040 1.012 7.409 559 HB3 ASN 71 3HB ASN 71 14.136 2.313 7.846 560 HD21 ASN 71 1HD2 ASN 71 12.252 -0.333 9.061 561 HD22 ASN 71 2HD2 ASN 71 12.825 -0.275 10.687 562 H GLU 72 H GLU 72 12.233 2.605 5.398 563 HA GLU 72 HA GLU 72 13.723 4.941 4.786 564 HB2 GLU 72 2HB GLU 72 12.099 3.162 2.939 565 HB3 GLU 72 3HB GLU 72 13.223 4.405 2.400 566 HG2 GLU 72 2HG GLU 72 13.924 1.935 3.995 567 HG3 GLU 72 3HG GLU 72 14.243 2.192 2.279 568 H ALA 73 H ALA 73 10.310 4.433 5.099 569 HA ALA 73 HA ALA 73 9.488 6.834 3.788 570 HB1 ALA 73 3HB ALA 73 7.967 4.945 4.148 571 HB2 ALA 73 1HB ALA 73 7.330 6.427 4.864 572 HB3 ALA 73 2HB ALA 73 8.062 5.191 5.893 573 H LYS 74 H LYS 74 9.804 6.018 7.309 574 HA LYS 74 HA LYS 74 9.074 8.624 8.168 575 HB2 LYS 74 2HB LYS 74 9.838 7.887 10.469 576 HB3 LYS 74 3HB LYS 74 8.628 6.877 9.707 577 HG2 LYS 74 2HG LYS 74 10.038 5.330 10.723 578 HG3 LYS 74 3HG LYS 74 10.580 5.324 9.054 579 HD2 LYS 74 2HD LYS 74 12.513 5.241 10.493 580 HD3 LYS 74 3HD LYS 74 12.478 6.824 9.717 581 HE2 LYS 74 2HE LYS 74 11.554 7.808 11.782 582 HE3 LYS 74 3HE LYS 74 11.563 6.214 12.546 583 HZ1 LYS 74 3HZ LYS 74 13.508 7.489 13.197 584 HZ2 LYS 74 1HZ LYS 74 13.961 7.690 11.578 585 HZ3 LYS 74 2HZ LYS 74 13.979 6.155 12.274 586 H LYS 75 H LYS 75 12.246 7.220 7.486 587 HA LYS 75 HA LYS 75 13.737 9.233 8.893 588 HB2 LYS 75 2HB LYS 75 15.737 8.251 7.969 589 HB3 LYS 75 3HB LYS 75 14.653 6.962 8.471 590 HG2 LYS 75 2HG LYS 75 14.056 6.462 6.186 591 HG3 LYS 75 3HG LYS 75 14.903 7.888 5.590 592 HD2 LYS 75 2HD LYS 75 16.227 5.496 6.936 593 HD3 LYS 75 3HD LYS 75 16.199 5.811 5.199 594 HE2 LYS 75 2HE LYS 75 17.482 7.884 5.527 595 HE3 LYS 75 3HE LYS 75 17.461 7.633 7.276 596 HZ1 LYS 75 3HZ LYS 75 19.557 6.931 6.306 597 HZ2 LYS 75 1HZ LYS 75 18.759 5.842 5.295 598 HZ3 LYS 75 2HZ LYS 75 18.738 5.607 6.967 599 H GLU 76 H GLU 76 12.556 8.932 5.611 600 HA GLU 76 HA GLU 76 14.022 11.283 4.650 601 HB2 GLU 76 2HB GLU 76 11.928 9.592 3.212 602 HB3 GLU 76 3HB GLU 76 12.966 10.807 2.478 603 HG2 GLU 76 2HG GLU 76 13.867 8.186 3.699 604 HG3 GLU 76 3HG GLU 76 13.773 8.560 1.979 605 H GLY 77 H GLY 77 11.318 10.816 6.502 606 HA2 GLY 77 2HA GLY 77 9.785 12.362 7.296 607 HA3 GLY 77 3HA GLY 77 10.283 13.491 6.048 608 H VAL 78 H VAL 78 9.602 10.540 4.641 609 HA VAL 78 HA VAL 78 7.338 11.405 3.204 610 HB VAL 78 HB VAL 78 8.429 8.582 3.621 611 HG11 VAL 78 1HG1 VAL 78 6.420 9.520 1.546 612 HG12 VAL 78 2HG1 VAL 78 6.086 8.458 2.915 613 HG13 VAL 78 3HG1 VAL 78 7.154 7.915 1.623 614 HG21 VAL 78 3HG2 VAL 78 9.501 8.870 1.422 615 HG22 VAL 78 1HG2 VAL 78 10.048 10.102 2.563 616 HG23 VAL 78 2HG2 VAL 78 8.868 10.516 1.316 617 H SER 79 H SER 79 5.325 11.582 3.896 618 HA SER 79 HA SER 79 4.476 10.613 6.474 619 HB2 SER 79 2HB SER 79 2.933 12.157 4.343 620 HB3 SER 79 3HB SER 79 2.465 11.960 6.039 621 HG SER 79 HG SER 79 4.931 12.860 6.050 622 H TYR 80 H TYR 80 4.239 8.427 6.429 623 HA TYR 80 HA TYR 80 2.575 7.134 4.345 624 HB2 TYR 80 2HB TYR 80 3.642 5.029 4.972 625 HB3 TYR 80 3HB TYR 80 4.898 6.222 4.680 626 HD1 TYR 80 HD2 TYR 80 5.963 7.371 6.746 627 HD2 TYR 80 HD1 TYR 80 3.598 3.821 7.055 628 HE1 TYR 80 HE2 TYR 80 6.919 6.921 8.958 629 HE2 TYR 80 HE1 TYR 80 4.559 3.384 9.271 630 HH TYR 80 HH TYR 80 6.324 5.715 10.982 631 H ASP 81 H ASP 81 1.411 5.134 5.292 632 HA ASP 81 HA ASP 81 0.432 5.327 8.021 633 HB2 ASP 81 2HB ASP 81 -1.050 6.894 6.719 634 HB3 ASP 81 3HB ASP 81 -1.491 5.561 5.649 635 H VAL 82 H VAL 82 -0.710 3.316 8.629 636 HA VAL 82 HA VAL 82 -0.060 1.033 6.829 637 HB VAL 82 HB VAL 82 0.413 1.069 9.861 638 HG11 VAL 82 1HG1 VAL 82 -0.129 -1.180 9.017 639 HG12 VAL 82 2HG1 VAL 82 1.566 -1.087 9.501 640 HG13 VAL 82 3HG1 VAL 82 1.139 -1.043 7.789 641 HG21 VAL 82 3HG2 VAL 82 2.485 1.222 7.634 642 HG22 VAL 82 1HG2 VAL 82 2.828 1.083 9.361 643 HG23 VAL 82 2HG2 VAL 82 2.044 2.532 8.732 644 H LEU 83 H LEU 83 -1.462 -0.700 6.894 645 HA LEU 83 HA LEU 83 -3.885 -0.585 8.579 646 HB2 LEU 83 2HB LEU 83 -4.407 0.446 6.389 647 HB3 LEU 83 3HB LEU 83 -3.787 -0.967 5.554 648 HG LEU 83 HG LEU 83 -5.660 -2.326 6.524 649 HD11 LEU 83 1HD1 LEU 83 -7.573 -1.221 7.583 650 HD12 LEU 83 2HD1 LEU 83 -6.705 0.315 7.581 651 HD13 LEU 83 3HD1 LEU 83 -6.109 -1.035 8.550 652 HD21 LEU 83 3HD2 LEU 83 -7.427 -1.392 5.070 653 HD22 LEU 83 1HD2 LEU 83 -5.854 -1.392 4.272 654 HD23 LEU 83 2HD2 LEU 83 -6.513 0.110 4.922 655 H LYS 84 H LYS 84 -4.100 -2.498 9.578 656 HA LYS 84 HA LYS 84 -3.117 -5.010 8.334 657 HB2 LYS 84 2HB LYS 84 -3.391 -4.146 11.226 658 HB3 LYS 84 3HB LYS 84 -3.550 -5.857 10.840 659 HG2 LYS 84 2HG LYS 84 -1.310 -5.493 11.520 660 HG3 LYS 84 3HG LYS 84 -1.281 -5.761 9.776 661 HD2 LYS 84 2HD LYS 84 -0.950 -3.391 9.356 662 HD3 LYS 84 3HD LYS 84 -1.202 -3.006 11.064 663 HE2 LYS 84 2HE LYS 84 1.100 -4.605 9.900 664 HE3 LYS 84 3HE LYS 84 1.181 -2.967 10.551 665 HZ1 LYS 84 3HZ LYS 84 1.968 -4.430 12.206 666 HZ2 LYS 84 1HZ LYS 84 0.645 -5.471 12.037 667 HZ3 LYS 84 2HZ LYS 84 0.435 -3.938 12.705 668 H SER 85 H SER 85 -4.743 -5.886 7.234 669 HA SER 85 HA SER 85 -7.170 -6.756 8.539 670 HB2 SER 85 2HB SER 85 -7.863 -4.441 8.015 671 HB3 SER 85 3HB SER 85 -7.372 -4.641 6.340 672 HG SER 85 HG SER 85 -9.738 -5.002 7.208 673 H THR 86 H THR 86 -8.539 -8.005 6.995 674 HA THR 86 HA THR 86 -7.410 -8.742 4.383 675 HB THR 86 HB THR 86 -7.915 -11.234 4.901 676 HG1 THR 86 HG1 THR 86 -7.922 -10.168 7.539 677 HG21 THR 86 3HG2 THR 86 -5.592 -10.001 6.428 678 HG22 THR 86 1HG2 THR 86 -5.579 -10.441 4.717 679 HG23 THR 86 2HG2 THR 86 -5.734 -11.694 5.948 680 H ASP 87 H ASP 87 -9.799 -7.328 5.749 681 HA ASP 87 HA ASP 87 -12.106 -8.916 4.897 682 HB2 ASP 87 2HB ASP 87 -11.985 -6.097 6.082 683 HB3 ASP 87 3HB ASP 87 -13.449 -7.043 5.817 684 HA PRO 88 HA PRO 88 -11.621 -7.087 0.753 685 HB2 PRO 88 2HB PRO 88 -14.169 -7.847 -0.220 686 HB3 PRO 88 3HB PRO 88 -12.693 -8.830 -0.291 687 HG2 PRO 88 2HG PRO 88 -14.915 -8.930 1.707 688 HG3 PRO 88 3HG PRO 88 -13.989 -10.262 0.978 689 HD2 PRO 88 2HD PRO 88 -13.477 -9.450 3.483 690 HD3 PRO 88 3HD PRO 88 -12.152 -9.946 2.406 691 H GLU 89 H GLU 89 -14.817 -6.604 2.382 692 HA GLU 89 HA GLU 89 -15.503 -4.275 0.919 693 HB2 GLU 89 2HB GLU 89 -17.280 -3.918 2.574 694 HB3 GLU 89 3HB GLU 89 -17.198 -5.610 2.097 695 HG2 GLU 89 2HG GLU 89 -16.000 -6.143 4.193 696 HG3 GLU 89 3HG GLU 89 -16.087 -4.451 4.671 697 H GLU 90 H GLU 90 -13.769 -4.735 3.961 698 HA GLU 90 HA GLU 90 -13.790 -2.019 4.804 699 HB2 GLU 90 2HB GLU 90 -13.398 -3.865 6.414 700 HB3 GLU 90 3HB GLU 90 -11.863 -4.235 5.626 701 HG2 GLU 90 2HG GLU 90 -11.011 -1.998 6.205 702 HG3 GLU 90 3HG GLU 90 -12.545 -1.595 6.974 703 H LEU 91 H LEU 91 -11.295 -4.061 3.252 704 HA LEU 91 HA LEU 91 -9.279 -2.135 3.008 705 HB2 LEU 91 2HB LEU 91 -9.865 -4.546 1.241 706 HB3 LEU 91 3HB LEU 91 -8.387 -3.605 1.150 707 HG LEU 91 HG LEU 91 -9.287 -5.307 3.510 708 HD11 LEU 91 1HD1 LEU 91 -6.975 -5.702 1.576 709 HD12 LEU 91 2HD1 LEU 91 -8.482 -6.621 1.592 710 HD13 LEU 91 3HD1 LEU 91 -7.373 -6.733 2.956 711 HD21 LEU 91 3HD2 LEU 91 -7.091 -4.795 4.504 712 HD22 LEU 91 1HD2 LEU 91 -8.109 -3.365 4.351 713 HD23 LEU 91 2HD2 LEU 91 -6.783 -3.628 3.217 714 H THR 92 H THR 92 -11.931 -2.950 0.795 715 HA THR 92 HA THR 92 -11.182 -1.387 -1.433 716 HB THR 92 HB THR 92 -13.957 -2.334 -0.573 717 HG1 THR 92 HG1 THR 92 -12.043 -3.833 -1.104 718 HG21 THR 92 3HG2 THR 92 -14.572 -2.153 -2.973 719 HG22 THR 92 1HG2 THR 92 -13.004 -1.420 -3.318 720 HG23 THR 92 2HG2 THR 92 -14.168 -0.574 -2.296 721 H GLN 93 H GLN 93 -13.423 -0.657 1.274 722 HA GLN 93 HA GLN 93 -13.969 2.010 0.354 723 HB2 GLN 93 2HB GLN 93 -15.268 2.291 2.357 724 HB3 GLN 93 3HB GLN 93 -15.582 0.684 1.718 725 HG2 GLN 93 2HG GLN 93 -14.126 -0.304 3.425 726 HG3 GLN 93 3HG GLN 93 -13.731 1.295 4.038 727 HE21 GLN 93 1HE2 GLN 93 -16.457 2.337 3.855 728 HE22 GLN 93 2HE2 GLN 93 -17.357 1.566 5.112 729 H ARG 94 H ARG 94 -11.559 0.569 2.462 730 HA ARG 94 HA ARG 94 -10.822 2.903 3.928 731 HB2 ARG 94 2HB ARG 94 -10.370 0.257 4.290 732 HB3 ARG 94 3HB ARG 94 -8.848 0.635 3.512 733 HG2 ARG 94 2HG ARG 94 -9.912 1.961 6.027 734 HG3 ARG 94 3HG ARG 94 -8.763 0.626 5.995 735 HD2 ARG 94 2HD ARG 94 -7.219 2.130 4.658 736 HD3 ARG 94 3HD ARG 94 -8.337 3.452 5.006 737 HE ARG 94 HE ARG 94 -7.595 2.172 7.411 738 HH11 ARG 94 1HH1 ARG 94 -6.300 4.354 4.974 739 HH12 ARG 94 2HH1 ARG 94 -5.154 5.075 6.068 740 HH21 ARG 94 1HH2 ARG 94 -6.003 3.034 8.787 741 HH22 ARG 94 2HH2 ARG 94 -4.985 4.329 8.213 742 H VAL 95 H VAL 95 -9.626 1.335 0.983 743 HA VAL 95 HA VAL 95 -7.392 2.918 0.409 744 HB VAL 95 HB VAL 95 -9.321 1.430 -1.436 745 HG11 VAL 95 1HG1 VAL 95 -7.683 1.694 -3.278 746 HG12 VAL 95 2HG1 VAL 95 -6.733 2.796 -2.279 747 HG13 VAL 95 3HG1 VAL 95 -8.364 3.245 -2.781 748 HG21 VAL 95 3HG2 VAL 95 -7.914 0.047 0.060 749 HG22 VAL 95 1HG2 VAL 95 -6.464 0.796 -0.605 750 HG23 VAL 95 2HG2 VAL 95 -7.496 -0.201 -1.635 751 H ARG 96 H ARG 96 -10.796 3.365 -0.613 752 HA ARG 96 HA ARG 96 -10.220 5.741 -2.112 753 HB2 ARG 96 2HB ARG 96 -12.664 5.857 -2.469 754 HB3 ARG 96 3HB ARG 96 -11.969 4.295 -2.842 755 HG2 ARG 96 2HG ARG 96 -13.793 3.510 -1.753 756 HG3 ARG 96 3HG ARG 96 -12.806 3.785 -0.320 757 HD2 ARG 96 2HD ARG 96 -15.023 4.672 0.061 758 HD3 ARG 96 3HD ARG 96 -13.900 6.031 -0.062 759 HE ARG 96 HE ARG 96 -14.994 5.474 -2.597 760 HH11 ARG 96 1HH1 ARG 96 -16.047 6.886 0.485 761 HH12 ARG 96 2HH1 ARG 96 -17.272 7.865 -0.267 762 HH21 ARG 96 1HH2 ARG 96 -16.616 6.726 -3.529 763 HH22 ARG 96 2HH2 ARG 96 -17.587 7.770 -2.535 764 H GLU 97 H GLU 97 -11.504 5.166 1.150 765 HA GLU 97 HA GLU 97 -12.044 7.880 1.808 766 HB2 GLU 97 2HB GLU 97 -11.282 5.544 3.616 767 HB3 GLU 97 3HB GLU 97 -11.738 7.129 4.226 768 HG2 GLU 97 2HG GLU 97 -13.479 5.191 2.700 769 HG3 GLU 97 3HG GLU 97 -13.624 5.660 4.390 770 H PHE 98 H PHE 98 -9.140 5.910 1.817 771 HA PHE 98 HA PHE 98 -7.460 7.695 3.240 772 HB2 PHE 98 2HB PHE 98 -6.882 5.302 2.954 773 HB3 PHE 98 3HB PHE 98 -6.692 5.542 1.217 774 HD1 PHE 98 HD1 PHE 98 -5.337 6.504 4.542 775 HD2 PHE 98 HD2 PHE 98 -4.628 6.393 0.324 776 HE1 PHE 98 HE1 PHE 98 -3.017 7.207 4.909 777 HE2 PHE 98 HE2 PHE 98 -2.303 7.091 0.698 778 HZ PHE 98 HZ PHE 98 -1.501 7.504 2.995 779 H LEU 99 H LEU 99 -7.709 7.004 -0.277 780 HA LEU 99 HA LEU 99 -6.018 8.953 -1.295 781 HB2 LEU 99 2HB LEU 99 -8.574 7.848 -2.529 782 HB3 LEU 99 3HB LEU 99 -7.321 8.694 -3.425 783 HG LEU 99 HG LEU 99 -6.855 6.061 -1.966 784 HD11 LEU 99 1HD1 LEU 99 -8.501 5.720 -3.753 785 HD12 LEU 99 2HD1 LEU 99 -6.970 4.940 -4.141 786 HD13 LEU 99 3HD1 LEU 99 -7.408 6.462 -4.923 787 HD21 LEU 99 3HD2 LEU 99 -4.803 5.921 -3.312 788 HD22 LEU 99 1HD2 LEU 99 -4.806 7.362 -2.292 789 HD23 LEU 99 2HD2 LEU 99 -5.146 7.502 -4.018 790 H LYS 100 H LYS 100 -9.368 9.213 -0.288 791 HA LYS 100 HA LYS 100 -10.033 11.809 -1.187 792 HB2 LYS 100 2HB LYS 100 -11.651 10.121 -0.369 793 HB3 LYS 100 3HB LYS 100 -10.977 10.240 1.250 794 HG2 LYS 100 2HG LYS 100 -11.753 12.586 1.391 795 HG3 LYS 100 3HG LYS 100 -12.464 12.447 -0.219 796 HD2 LYS 100 2HD LYS 100 -13.238 10.843 2.248 797 HD3 LYS 100 3HD LYS 100 -14.189 12.135 1.517 798 HE2 LYS 100 2HE LYS 100 -13.525 9.466 0.215 799 HE3 LYS 100 3HE LYS 100 -15.074 9.905 0.927 800 HZ1 LYS 100 3HZ LYS 100 -15.122 10.141 -1.465 801 HZ2 LYS 100 1HZ LYS 100 -13.823 11.224 -1.427 802 HZ3 LYS 100 2HZ LYS 100 -15.303 11.648 -0.729 803 H THR 101 H THR 101 -8.824 10.728 2.043 804 HA THR 101 HA THR 101 -8.664 13.473 3.002 805 HB THR 101 HB THR 101 -9.443 11.644 4.495 806 HG1 THR 101 HG1 THR 101 -7.611 13.547 5.113 807 HG21 THR 101 3HG2 THR 101 -7.931 9.826 3.769 808 HG22 THR 101 1HG2 THR 101 -7.842 10.074 5.515 809 HG23 THR 101 2HG2 THR 101 -6.557 10.683 4.471 810 H ALA 102 H ALA 102 -6.545 11.331 1.420 811 HA ALA 102 HA ALA 102 -4.041 12.086 2.636 812 HB1 ALA 102 3HB ALA 102 -3.061 10.671 0.837 813 HB2 ALA 102 1HB ALA 102 -4.661 10.514 0.108 814 HB3 ALA 102 2HB ALA 102 -4.350 9.845 1.711 815 H GLY 103 H GLY 103 -5.973 13.224 -0.044 816 HA2 GLY 103 2HA GLY 103 -3.897 14.595 -1.493 817 HA3 GLY 103 3HA GLY 103 -5.632 14.764 -1.713 818 H SER 104 H SER 104 -6.798 16.031 -0.035 819 HA SER 104 HA SER 104 -5.354 17.958 1.564 820 HB2 SER 104 2HB SER 104 -5.204 18.961 -0.733 821 HB3 SER 104 3HB SER 104 -6.961 18.945 -0.848 822 HG SER 104 HG SER 104 -6.283 20.191 1.412 823 H LEU 105 H LEU 105 -8.044 16.058 0.998 824 HA LEU 105 HA LEU 105 -10.039 17.836 2.195 825 HB2 LEU 105 2HB LEU 105 -10.362 14.998 1.141 826 HB3 LEU 105 3HB LEU 105 -11.666 16.083 1.606 827 HG LEU 105 HG LEU 105 -9.758 16.518 -0.728 828 HD11 LEU 105 1HD1 LEU 105 -11.679 16.102 -2.183 829 HD12 LEU 105 2HD1 LEU 105 -12.688 15.757 -0.779 830 HD13 LEU 105 3HD1 LEU 105 -11.335 14.698 -1.173 831 HD21 LEU 105 3HD2 LEU 105 -10.433 18.650 0.239 832 HD22 LEU 105 1HD2 LEU 105 -12.132 18.189 0.140 833 HD23 LEU 105 2HD2 LEU 105 -11.189 18.425 -1.336 834 H GLU 106 H GLU 106 -8.737 17.866 4.172 835 HA GLU 106 HA GLU 106 -8.750 15.596 5.965 836 HB2 GLU 106 2HB GLU 106 -7.782 17.153 7.589 837 HB3 GLU 106 3HB GLU 106 -6.980 17.374 6.037 838 HG2 GLU 106 2HG GLU 106 -8.335 19.377 5.594 839 HG3 GLU 106 3HG GLU 106 -9.195 19.162 7.115 840 H HIS 107 H HIS 107 -9.746 15.994 8.252 841 HA HIS 107 HA HIS 107 -12.501 17.037 8.027 842 HB2 HIS 107 2HB HIS 107 -11.211 15.422 10.278 843 HB3 HIS 107 3HB HIS 107 -12.919 15.835 10.141 844 HD1 HIS 107 HD1 HIS 107 -10.510 13.258 9.247 845 HD2 HIS 107 HD2 HIS 107 -14.209 14.513 7.830 846 HE1 HIS 107 HE1 HIS 107 -11.384 11.351 7.873 847 HE2 HIS 107 HE2 HIS 107 -13.543 12.200 6.902 848 H HIS 108 H HIS 108 -12.698 19.157 8.556 849 HA HIS 108 HA HIS 108 -10.666 20.567 10.066 850 HB2 HIS 108 2HB HIS 108 -11.785 21.665 8.129 851 HB3 HIS 108 3HB HIS 108 -13.334 21.590 8.964 852 HD1 HIS 108 HD1 HIS 108 -13.803 23.374 10.752 853 HD2 HIS 108 HD2 HIS 108 -9.955 23.624 9.189 854 HE1 HIS 108 HE1 HIS 108 -12.856 25.523 11.635 855 HE2 HIS 108 HE2 HIS 108 -10.508 25.616 10.735 856 H HIS 109 H HIS 109 -10.653 20.761 12.207 857 HA HIS 109 HA HIS 109 -13.008 20.175 13.861 858 HB2 HIS 109 2HB HIS 109 -10.055 20.606 14.537 859 HB3 HIS 109 3HB HIS 109 -11.303 20.377 15.759 860 HD1 HIS 109 HD1 HIS 109 -10.651 18.123 16.665 861 HD2 HIS 109 HD2 HIS 109 -10.889 18.115 12.518 862 HE1 HIS 109 HE1 HIS 109 -10.379 15.727 15.977 863 HE2 HIS 109 HE2 HIS 109 -10.271 15.807 13.471 864 H HIS 110 H HIS 110 -14.042 21.650 15.106 865 HA HIS 110 HA HIS 110 -12.952 24.306 15.629 866 HB2 HIS 110 2HB HIS 110 -14.276 24.504 13.452 867 HB3 HIS 110 3HB HIS 110 -15.717 24.027 14.341 868 HD1 HIS 110 HD1 HIS 110 -13.180 26.873 14.209 869 HD2 HIS 110 HD2 HIS 110 -17.055 26.129 15.527 870 HE1 HIS 110 HE1 HIS 110 -14.096 29.093 14.955 871 HE2 HIS 110 HE2 HIS 110 -16.336 28.569 15.935 872 H HIS 111 H HIS 111 -13.285 22.034 17.197 873 HA HIS 111 HA HIS 111 -15.037 23.040 19.329 874 HB2 HIS 111 2HB HIS 111 -15.081 20.181 18.264 875 HB3 HIS 111 3HB HIS 111 -15.661 20.597 19.874 876 HD1 HIS 111 HD1 HIS 111 -16.851 20.185 16.518 877 HD2 HIS 111 HD2 HIS 111 -17.824 22.655 19.713 878 HE1 HIS 111 HE1 HIS 111 -19.124 21.106 15.990 879 HE2 HIS 111 HE2 HIS 111 -19.734 22.497 17.985 880 H HIS 112 H HIS 112 -13.530 23.631 20.724 881 HA HIS 112 HA HIS 112 -11.655 21.636 21.794 882 HB2 HIS 112 2HB HIS 112 -10.385 23.067 20.148 883 HB3 HIS 112 3HB HIS 112 -10.815 24.493 21.086 884 HD1 HIS 112 HD1 HIS 112 -9.308 25.082 23.002 885 HD2 HIS 112 HD2 HIS 112 -8.619 21.226 21.607 886 HE1 HIS 112 HE1 HIS 112 -7.260 24.282 24.220 887 HE2 HIS 112 HE2 HIS 112 -6.885 21.935 23.391 Start of MODEL 15 1 H1 MET 1 1H MET 1 -0.062 14.927 -0.397 2 H2 MET 1 2H MET 1 0.664 16.437 -0.186 3 H3 MET 1 3H MET 1 1.064 15.154 0.837 4 HA MET 1 HA MET 1 1.574 15.213 -2.062 5 HB2 MET 1 2HB MET 1 3.419 15.765 0.291 6 HB3 MET 1 3HB MET 1 4.008 15.441 -1.336 7 HG2 MET 1 2HG MET 1 2.787 17.425 -2.160 8 HG3 MET 1 3HG MET 1 2.233 17.755 -0.515 9 HE1 MET 1 3HE MET 1 4.938 20.567 -1.220 10 HE2 MET 1 1HE MET 1 3.256 20.267 -0.784 11 HE3 MET 1 2HE MET 1 3.835 19.864 -2.402 12 H GLY 2 H GLY 2 4.132 13.631 -0.998 13 HA2 GLY 2 2HA GLY 2 3.149 11.087 -1.827 14 HA3 GLY 2 3HA GLY 2 4.757 11.450 -1.224 15 H LYS 3 H LYS 3 1.487 10.600 -0.312 16 HA LYS 3 HA LYS 3 2.545 9.224 2.080 17 HB2 LYS 3 2HB LYS 3 1.049 11.157 2.725 18 HB3 LYS 3 3HB LYS 3 -0.269 10.395 1.835 19 HG2 LYS 3 2HG LYS 3 -0.196 8.447 3.333 20 HG3 LYS 3 3HG LYS 3 1.182 9.136 4.194 21 HD2 LYS 3 2HD LYS 3 -0.221 10.989 5.005 22 HD3 LYS 3 3HD LYS 3 -1.596 10.380 4.080 23 HE2 LYS 3 2HE LYS 3 -1.656 8.346 5.448 24 HE3 LYS 3 3HE LYS 3 -0.217 8.866 6.328 25 HZ1 LYS 3 3HZ LYS 3 -1.463 10.753 7.175 26 HZ2 LYS 3 1HZ LYS 3 -2.220 9.300 7.583 27 HZ3 LYS 3 2HZ LYS 3 -2.845 10.258 6.339 28 H VAL 4 H VAL 4 1.848 7.108 2.352 29 HA VAL 4 HA VAL 4 0.316 5.916 0.110 30 HB VAL 4 HB VAL 4 2.733 5.402 -0.091 31 HG11 VAL 4 1HG1 VAL 4 2.466 4.001 2.586 32 HG12 VAL 4 2HG1 VAL 4 3.371 5.487 2.280 33 HG13 VAL 4 3HG1 VAL 4 3.881 3.974 1.529 34 HG21 VAL 4 3HG2 VAL 4 2.546 2.953 -0.315 35 HG22 VAL 4 1HG2 VAL 4 1.106 3.769 -0.931 36 HG23 VAL 4 2HG2 VAL 4 1.064 2.975 0.643 37 H LEU 5 H LEU 5 -1.131 4.336 0.578 38 HA LEU 5 HA LEU 5 -1.655 3.576 3.369 39 HB2 LEU 5 2HB LEU 5 -3.513 4.409 1.874 40 HB3 LEU 5 3HB LEU 5 -3.251 3.020 0.833 41 HG LEU 5 HG LEU 5 -3.872 1.510 2.741 42 HD11 LEU 5 1HD1 LEU 5 -3.258 2.931 4.620 43 HD12 LEU 5 2HD1 LEU 5 -4.947 2.445 4.744 44 HD13 LEU 5 3HD1 LEU 5 -4.539 4.077 4.209 45 HD21 LEU 5 3HD2 LEU 5 -6.285 1.941 2.658 46 HD22 LEU 5 1HD2 LEU 5 -5.549 2.145 1.068 47 HD23 LEU 5 2HD2 LEU 5 -5.989 3.562 2.023 48 H LEU 6 H LEU 6 -0.009 2.129 3.733 49 HA LEU 6 HA LEU 6 0.770 -0.002 1.991 50 HB2 LEU 6 2HB LEU 6 2.286 1.026 3.685 51 HB3 LEU 6 3HB LEU 6 1.259 0.420 4.974 52 HG LEU 6 HG LEU 6 1.832 -1.939 4.248 53 HD11 LEU 6 1HD1 LEU 6 2.415 -1.531 1.925 54 HD12 LEU 6 2HD1 LEU 6 3.756 -2.305 2.766 55 HD13 LEU 6 3HD1 LEU 6 3.819 -0.578 2.413 56 HD21 LEU 6 3HD2 LEU 6 3.005 -0.902 6.140 57 HD22 LEU 6 1HD2 LEU 6 4.201 -0.207 5.044 58 HD23 LEU 6 2HD2 LEU 6 4.092 -1.960 5.241 59 H VAL 7 H VAL 7 -1.103 -1.150 1.486 60 HA VAL 7 HA VAL 7 -2.884 -2.232 3.497 61 HB VAL 7 HB VAL 7 -2.812 -2.870 0.510 62 HG11 VAL 7 1HG1 VAL 7 -4.079 -4.526 1.812 63 HG12 VAL 7 2HG1 VAL 7 -5.177 -3.554 0.831 64 HG13 VAL 7 3HG1 VAL 7 -5.031 -3.240 2.561 65 HG21 VAL 7 3HG2 VAL 7 -3.081 -0.451 0.808 66 HG22 VAL 7 1HG2 VAL 7 -4.414 -0.715 1.938 67 HG23 VAL 7 2HG2 VAL 7 -4.592 -1.167 0.240 68 H ILE 8 H ILE 8 -1.968 -3.757 4.725 69 HA ILE 8 HA ILE 8 -0.484 -6.004 3.541 70 HB ILE 8 HB ILE 8 -0.809 -5.380 6.512 71 HG12 ILE 8 2HG1 ILE 8 1.474 -4.532 4.666 72 HG13 ILE 8 3HG1 ILE 8 0.310 -3.450 5.419 73 HG21 ILE 8 1HG2 ILE 8 1.215 -7.121 5.041 74 HG22 ILE 8 2HG2 ILE 8 -0.164 -7.718 5.965 75 HG23 ILE 8 3HG2 ILE 8 1.145 -6.866 6.783 76 HD11 ILE 8 3HD1 ILE 8 2.422 -3.397 6.565 77 HD12 ILE 8 1HD1 ILE 8 2.347 -5.138 6.846 78 HD13 ILE 8 2HD1 ILE 8 1.171 -4.063 7.615 79 H SER 9 H SER 9 -1.467 -7.897 3.336 80 HA SER 9 HA SER 9 -3.396 -8.858 5.291 81 HB2 SER 9 2HB SER 9 -4.834 -7.886 3.500 82 HB3 SER 9 3HB SER 9 -3.995 -8.855 2.296 83 HG SER 9 HG SER 9 -5.995 -9.543 4.014 84 H THR 10 H THR 10 -3.419 -11.128 5.400 85 HA THR 10 HA THR 10 -1.111 -12.524 4.352 86 HB THR 10 HB THR 10 -3.480 -13.648 5.923 87 HG1 THR 10 HG1 THR 10 -1.035 -13.096 7.171 88 HG21 THR 10 3HG2 THR 10 -2.103 -15.406 4.829 89 HG22 THR 10 1HG2 THR 10 -1.908 -15.446 6.587 90 HG23 THR 10 2HG2 THR 10 -0.653 -14.735 5.575 91 H ASP 11 H ASP 11 -4.582 -12.359 3.798 92 HA ASP 11 HA ASP 11 -4.764 -14.514 1.903 93 HB2 ASP 11 2HB ASP 11 -6.693 -12.203 2.395 94 HB3 ASP 11 3HB ASP 11 -7.054 -13.662 1.475 95 H THR 12 H THR 12 -3.321 -14.133 0.200 96 HA THR 12 HA THR 12 -3.136 -11.806 -1.374 97 HB THR 12 HB THR 12 -2.325 -13.421 -3.220 98 HG1 THR 12 HG1 THR 12 -3.222 -15.224 -1.272 99 HG21 THR 12 3HG2 THR 12 -0.736 -12.374 -1.651 100 HG22 THR 12 1HG2 THR 12 -0.250 -14.030 -2.015 101 HG23 THR 12 2HG2 THR 12 -1.036 -13.659 -0.478 102 H ASN 13 H ASN 13 -5.551 -14.296 -1.264 103 HA ASN 13 HA ASN 13 -7.099 -13.823 -3.527 104 HB2 ASN 13 2HB ASN 13 -7.526 -15.633 -1.880 105 HB3 ASN 13 3HB ASN 13 -8.014 -14.450 -0.679 106 HD21 ASN 13 1HD2 ASN 13 -9.362 -16.764 -2.163 107 HD22 ASN 13 2HD2 ASN 13 -10.885 -16.103 -2.639 108 H ILE 14 H ILE 14 -7.211 -12.180 -0.347 109 HA ILE 14 HA ILE 14 -9.292 -10.352 -1.144 110 HB ILE 14 HB ILE 14 -7.584 -10.440 1.383 111 HG12 ILE 14 2HG1 ILE 14 -8.987 -12.443 1.145 112 HG13 ILE 14 3HG1 ILE 14 -9.633 -11.437 2.432 113 HG21 ILE 14 1HG2 ILE 14 -9.273 -8.954 2.412 114 HG22 ILE 14 2HG2 ILE 14 -10.084 -8.796 0.855 115 HG23 ILE 14 3HG2 ILE 14 -8.451 -8.165 1.063 116 HD11 ILE 14 3HD1 ILE 14 -11.413 -12.380 1.118 117 HD12 ILE 14 1HD1 ILE 14 -10.745 -11.704 -0.367 118 HD13 ILE 14 2HD1 ILE 14 -11.387 -10.635 0.885 119 H ILE 15 H ILE 15 -5.772 -10.212 -0.857 120 HA ILE 15 HA ILE 15 -5.319 -7.468 -1.261 121 HB ILE 15 HB ILE 15 -3.671 -9.899 -2.100 122 HG12 ILE 15 2HG1 ILE 15 -3.286 -7.965 0.232 123 HG13 ILE 15 3HG1 ILE 15 -4.061 -9.537 0.362 124 HG21 ILE 15 1HG2 ILE 15 -1.723 -8.385 -2.389 125 HG22 ILE 15 2HG2 ILE 15 -2.776 -6.996 -2.136 126 HG23 ILE 15 3HG2 ILE 15 -3.007 -8.022 -3.548 127 HD11 ILE 15 3HD1 ILE 15 -1.949 -10.592 -0.346 128 HD12 ILE 15 1HD1 ILE 15 -1.829 -9.682 1.158 129 HD13 ILE 15 2HD1 ILE 15 -1.191 -8.996 -0.333 130 H SER 16 H SER 16 -5.631 -10.129 -3.604 131 HA SER 16 HA SER 16 -5.422 -8.581 -5.973 132 HB2 SER 16 2HB SER 16 -4.917 -11.010 -5.902 133 HB3 SER 16 3HB SER 16 -6.613 -11.368 -5.553 134 HG SER 16 HG SER 16 -6.009 -9.832 -7.822 135 H SER 17 H SER 17 -8.128 -9.689 -3.973 136 HA SER 17 HA SER 17 -10.293 -9.133 -5.644 137 HB2 SER 17 2HB SER 17 -10.463 -10.420 -3.509 138 HB3 SER 17 3HB SER 17 -10.235 -8.929 -2.594 139 HG SER 17 HG SER 17 -12.369 -9.636 -4.321 140 H VAL 18 H VAL 18 -8.976 -7.161 -3.009 141 HA VAL 18 HA VAL 18 -10.634 -4.912 -3.442 142 HB VAL 18 HB VAL 18 -8.047 -5.180 -1.836 143 HG11 VAL 18 1HG1 VAL 18 -10.157 -2.986 -1.694 144 HG12 VAL 18 2HG1 VAL 18 -8.513 -2.801 -2.309 145 HG13 VAL 18 3HG1 VAL 18 -8.778 -3.161 -0.605 146 HG21 VAL 18 3HG2 VAL 18 -9.845 -6.736 -1.142 147 HG22 VAL 18 1HG2 VAL 18 -10.942 -5.371 -0.930 148 HG23 VAL 18 2HG2 VAL 18 -9.515 -5.525 0.097 149 H GLN 19 H GLN 19 -7.327 -5.704 -4.469 150 HA GLN 19 HA GLN 19 -6.485 -3.155 -5.262 151 HB2 GLN 19 2HB GLN 19 -4.987 -5.109 -5.030 152 HB3 GLN 19 3HB GLN 19 -5.696 -5.830 -6.471 153 HG2 GLN 19 2HG GLN 19 -4.858 -3.926 -7.814 154 HG3 GLN 19 3HG GLN 19 -4.145 -3.227 -6.361 155 HE21 GLN 19 1HE2 GLN 19 -3.204 -5.787 -5.282 156 HE22 GLN 19 2HE2 GLN 19 -1.856 -6.227 -6.266 157 H GLU 20 H GLU 20 -7.984 -5.758 -7.207 158 HA GLU 20 HA GLU 20 -8.265 -4.184 -9.563 159 HB2 GLU 20 2HB GLU 20 -9.406 -6.841 -8.708 160 HB3 GLU 20 3HB GLU 20 -10.036 -6.048 -10.147 161 HG2 GLU 20 2HG GLU 20 -8.394 -7.611 -10.868 162 HG3 GLU 20 3HG GLU 20 -7.699 -6.011 -11.075 163 H ARG 21 H ARG 21 -10.462 -4.764 -6.777 164 HA ARG 21 HA ARG 21 -12.805 -3.562 -7.806 165 HB2 ARG 21 2HB ARG 21 -11.748 -3.521 -4.948 166 HB3 ARG 21 3HB ARG 21 -13.362 -2.979 -5.401 167 HG2 ARG 21 2HG ARG 21 -13.929 -5.249 -6.145 168 HG3 ARG 21 3HG ARG 21 -12.303 -5.793 -5.737 169 HD2 ARG 21 2HD ARG 21 -12.744 -5.063 -3.367 170 HD3 ARG 21 3HD ARG 21 -14.423 -4.771 -3.838 171 HE ARG 21 HE ARG 21 -13.323 -7.435 -4.335 172 HH11 ARG 21 1HH1 ARG 21 -15.344 -5.429 -2.279 173 HH12 ARG 21 2HH1 ARG 21 -16.134 -6.783 -1.534 174 HH21 ARG 21 1HH2 ARG 21 -14.332 -9.189 -3.325 175 HH22 ARG 21 2HH2 ARG 21 -15.557 -8.917 -2.128 176 H ALA 22 H ALA 22 -9.965 -2.203 -6.266 177 HA ALA 22 HA ALA 22 -10.885 0.517 -6.174 178 HB1 ALA 22 3HB ALA 22 -8.623 1.001 -5.339 179 HB2 ALA 22 1HB ALA 22 -8.101 -0.643 -5.751 180 HB3 ALA 22 2HB ALA 22 -9.317 -0.384 -4.500 181 H LYS 23 H LYS 23 -9.010 -1.454 -8.440 182 HA LYS 23 HA LYS 23 -8.152 0.842 -10.010 183 HB2 LYS 23 2HB LYS 23 -7.800 -2.153 -10.403 184 HB3 LYS 23 3HB LYS 23 -7.278 -0.973 -11.605 185 HG2 LYS 23 2HG LYS 23 -5.831 0.102 -9.876 186 HG3 LYS 23 3HG LYS 23 -6.289 -1.173 -8.744 187 HD2 LYS 23 2HD LYS 23 -5.253 -2.869 -10.167 188 HD3 LYS 23 3HD LYS 23 -4.908 -1.663 -11.412 189 HE2 LYS 23 2HE LYS 23 -3.728 -1.689 -8.613 190 HE3 LYS 23 3HE LYS 23 -2.904 -2.202 -10.085 191 HZ1 LYS 23 3HZ LYS 23 -2.340 0.069 -9.386 192 HZ2 LYS 23 1HZ LYS 23 -3.944 0.540 -9.625 193 HZ3 LYS 23 2HZ LYS 23 -3.008 0.019 -10.935 194 H HIS 24 H HIS 24 -10.872 -1.376 -10.086 195 HA HIS 24 HA HIS 24 -11.656 -0.609 -12.809 196 HB2 HIS 24 2HB HIS 24 -12.995 -2.365 -10.703 197 HB3 HIS 24 3HB HIS 24 -13.817 -1.910 -12.189 198 HD1 HIS 24 HD1 HIS 24 -12.498 -2.681 -14.467 199 HD2 HIS 24 HD2 HIS 24 -11.531 -4.671 -10.940 200 HE1 HIS 24 HE1 HIS 24 -11.418 -4.834 -15.174 201 HE2 HIS 24 HE2 HIS 24 -10.943 -6.057 -13.036 202 H ASN 25 H ASN 25 -12.542 0.086 -9.457 203 HA ASN 25 HA ASN 25 -14.680 1.906 -10.097 204 HB2 ASN 25 2HB ASN 25 -14.489 0.612 -7.912 205 HB3 ASN 25 3HB ASN 25 -13.157 1.663 -7.458 206 HD21 ASN 25 1HD2 ASN 25 -16.120 2.716 -9.146 207 HD22 ASN 25 2HD2 ASN 25 -16.712 3.663 -7.828 208 H TYR 26 H TYR 26 -11.217 2.163 -9.433 209 HA TYR 26 HA TYR 26 -11.230 4.998 -10.308 210 HB2 TYR 26 2HB TYR 26 -9.337 3.858 -8.203 211 HB3 TYR 26 3HB TYR 26 -9.479 5.538 -8.701 212 HD1 TYR 26 HD1 TYR 26 -11.807 6.689 -8.275 213 HD2 TYR 26 HD2 TYR 26 -10.544 3.112 -6.290 214 HE1 TYR 26 HE1 TYR 26 -13.507 7.051 -6.546 215 HE2 TYR 26 HE2 TYR 26 -12.249 3.488 -4.553 216 HH TYR 26 HH TYR 26 -14.800 5.609 -4.945 217 HA PRO 27 HA PRO 27 -8.748 2.294 -13.209 218 HB2 PRO 27 2HB PRO 27 -9.568 4.440 -15.147 219 HB3 PRO 27 3HB PRO 27 -9.694 2.672 -15.297 220 HG2 PRO 27 2HG PRO 27 -11.883 4.117 -14.859 221 HG3 PRO 27 3HG PRO 27 -11.662 2.560 -14.021 222 HD2 PRO 27 2HD PRO 27 -11.195 5.355 -12.956 223 HD3 PRO 27 3HD PRO 27 -12.037 3.985 -12.192 224 H GLY 28 H GLY 28 -8.708 5.827 -13.854 225 HA2 GLY 28 2HA GLY 28 -5.797 5.919 -13.990 226 HA3 GLY 28 3HA GLY 28 -6.921 7.251 -14.225 227 H ARG 29 H ARG 29 -5.374 5.239 -11.779 228 HA ARG 29 HA ARG 29 -5.512 7.411 -9.799 229 HB2 ARG 29 2HB ARG 29 -7.508 5.722 -9.580 230 HB3 ARG 29 3HB ARG 29 -6.303 4.582 -8.996 231 HG2 ARG 29 2HG ARG 29 -7.372 5.604 -7.097 232 HG3 ARG 29 3HG ARG 29 -5.717 6.221 -7.184 233 HD2 ARG 29 2HD ARG 29 -7.394 8.003 -6.685 234 HD3 ARG 29 3HD ARG 29 -6.493 8.306 -8.175 235 HE ARG 29 HE ARG 29 -8.949 6.915 -8.643 236 HH11 ARG 29 1HH1 ARG 29 -7.678 10.151 -8.124 237 HH12 ARG 29 2HH1 ARG 29 -8.997 10.915 -8.953 238 HH21 ARG 29 1HH2 ARG 29 -10.638 7.920 -9.766 239 HH22 ARG 29 2HH2 ARG 29 -10.669 9.654 -9.881 240 H GLU 30 H GLU 30 -3.914 7.203 -8.141 241 HA GLU 30 HA GLU 30 -1.561 5.697 -8.885 242 HB2 GLU 30 2HB GLU 30 -2.016 7.670 -6.603 243 HB3 GLU 30 3HB GLU 30 -0.468 6.966 -7.038 244 HG2 GLU 30 2HG GLU 30 -2.132 8.856 -8.719 245 HG3 GLU 30 3HG GLU 30 -0.586 9.203 -7.937 246 H ILE 31 H ILE 31 -2.121 3.584 -8.545 247 HA ILE 31 HA ILE 31 -2.163 2.620 -5.743 248 HB ILE 31 HB ILE 31 -3.811 1.471 -8.057 249 HG12 ILE 31 2HG1 ILE 31 -4.801 2.767 -5.471 250 HG13 ILE 31 3HG1 ILE 31 -4.788 3.560 -7.041 251 HG21 ILE 31 1HG2 ILE 31 -3.592 0.472 -5.187 252 HG22 ILE 31 2HG2 ILE 31 -2.930 -0.327 -6.613 253 HG23 ILE 31 3HG2 ILE 31 -4.677 -0.181 -6.421 254 HD11 ILE 31 3HD1 ILE 31 -6.358 1.871 -7.884 255 HD12 ILE 31 1HD1 ILE 31 -6.995 2.776 -6.511 256 HD13 ILE 31 2HD1 ILE 31 -6.401 1.132 -6.281 257 H ARG 32 H ARG 32 -0.565 1.115 -5.386 258 HA ARG 32 HA ARG 32 0.776 -0.210 -7.676 259 HB2 ARG 32 2HB ARG 32 2.066 1.112 -5.257 260 HB3 ARG 32 3HB ARG 32 2.932 0.011 -6.316 261 HG2 ARG 32 2HG ARG 32 1.691 2.638 -7.176 262 HG3 ARG 32 3HG ARG 32 3.399 2.383 -6.819 263 HD2 ARG 32 2HD ARG 32 3.556 0.767 -8.680 264 HD3 ARG 32 3HD ARG 32 1.840 1.001 -9.033 265 HE ARG 32 HE ARG 32 2.537 3.445 -9.383 266 HH11 ARG 32 1HH1 ARG 32 4.566 0.705 -10.218 267 HH12 ARG 32 2HH1 ARG 32 5.382 1.551 -11.490 268 HH21 ARG 32 1HH2 ARG 32 3.614 4.537 -11.064 269 HH22 ARG 32 2HH2 ARG 32 4.847 3.715 -11.967 270 H THR 33 H THR 33 2.295 -1.970 -6.810 271 HA THR 33 HA THR 33 1.237 -3.469 -4.501 272 HB THR 33 HB THR 33 1.809 -4.667 -7.265 273 HG1 THR 33 HG1 THR 33 -0.320 -3.484 -6.543 274 HG21 THR 33 3HG2 THR 33 2.425 -6.241 -5.432 275 HG22 THR 33 1HG2 THR 33 1.009 -6.806 -6.323 276 HG23 THR 33 2HG2 THR 33 0.813 -6.053 -4.740 277 H ALA 34 H ALA 34 2.929 -3.997 -3.191 278 HA ALA 34 HA ALA 34 5.685 -4.072 -4.259 279 HB1 ALA 34 3HB ALA 34 4.688 -3.957 -1.398 280 HB2 ALA 34 1HB ALA 34 5.359 -2.616 -2.322 281 HB3 ALA 34 2HB ALA 34 6.384 -3.985 -1.887 282 H THR 35 H THR 35 6.421 -5.994 -4.784 283 HA THR 35 HA THR 35 5.248 -8.477 -3.728 284 HB THR 35 HB THR 35 7.134 -8.057 -6.100 285 HG1 THR 35 HG1 THR 35 5.075 -7.086 -6.421 286 HG21 THR 35 3HG2 THR 35 6.442 -10.331 -6.801 287 HG22 THR 35 1HG2 THR 35 5.468 -10.496 -5.338 288 HG23 THR 35 2HG2 THR 35 7.224 -10.381 -5.220 289 H SER 36 H SER 36 8.298 -6.704 -3.987 290 HA SER 36 HA SER 36 9.536 -8.274 -1.855 291 HB2 SER 36 2HB SER 36 10.145 -9.443 -4.017 292 HB3 SER 36 3HB SER 36 10.896 -7.952 -4.580 293 HG SER 36 HG SER 36 11.703 -9.670 -2.481 294 H SER 37 H SER 37 11.906 -7.284 -1.560 295 HA SER 37 HA SER 37 11.531 -4.667 -0.591 296 HB2 SER 37 2HB SER 37 14.141 -6.201 -0.891 297 HB3 SER 37 3HB SER 37 13.911 -4.748 0.088 298 HG SER 37 HG SER 37 12.031 -6.545 0.728 299 H GLN 38 H GLN 38 12.638 -5.777 -3.645 300 HA GLN 38 HA GLN 38 13.991 -3.551 -4.671 301 HB2 GLN 38 2HB GLN 38 13.756 -5.842 -5.751 302 HB3 GLN 38 3HB GLN 38 12.100 -5.428 -6.168 303 HG2 GLN 38 2HG GLN 38 13.518 -5.145 -8.113 304 HG3 GLN 38 3HG GLN 38 12.943 -3.568 -7.582 305 HE21 GLN 38 1HE2 GLN 38 15.731 -5.704 -7.659 306 HE22 GLN 38 2HE2 GLN 38 16.914 -4.465 -7.435 307 H ASP 39 H ASP 39 10.538 -4.415 -4.744 308 HA ASP 39 HA ASP 39 9.551 -2.022 -5.906 309 HB2 ASP 39 2HB ASP 39 8.018 -3.965 -4.122 310 HB3 ASP 39 3HB ASP 39 7.326 -2.828 -5.276 311 H ILE 40 H ILE 40 9.927 -3.136 -2.567 312 HA ILE 40 HA ILE 40 8.564 -1.238 -1.086 313 HB ILE 40 HB ILE 40 11.121 -2.777 -0.491 314 HG12 ILE 40 2HG1 ILE 40 9.097 -4.158 -0.771 315 HG13 ILE 40 3HG1 ILE 40 9.657 -4.228 0.892 316 HG21 ILE 40 1HG2 ILE 40 10.848 -2.263 1.926 317 HG22 ILE 40 2HG2 ILE 40 9.595 -1.094 1.511 318 HG23 ILE 40 3HG2 ILE 40 11.249 -0.839 0.959 319 HD11 ILE 40 3HD1 ILE 40 7.250 -4.131 0.787 320 HD12 ILE 40 1HD1 ILE 40 7.312 -2.630 -0.136 321 HD13 ILE 40 2HD1 ILE 40 7.874 -2.663 1.538 322 H ARG 41 H ARG 41 11.884 -1.046 -2.343 323 HA ARG 41 HA ARG 41 12.427 1.550 -1.191 324 HB2 ARG 41 2HB ARG 41 13.963 -0.177 -3.166 325 HB3 ARG 41 3HB ARG 41 14.566 1.353 -2.530 326 HG2 ARG 41 2HG ARG 41 14.653 0.476 -0.273 327 HG3 ARG 41 3HG ARG 41 13.832 -1.010 -0.758 328 HD2 ARG 41 2HD ARG 41 16.556 -0.140 -1.787 329 HD3 ARG 41 3HD ARG 41 16.308 -1.275 -0.458 330 HE ARG 41 HE ARG 41 15.153 -2.744 -2.096 331 HH11 ARG 41 1HH1 ARG 41 17.384 -0.331 -3.384 332 HH12 ARG 41 2HH1 ARG 41 17.694 -1.243 -4.830 333 HH21 ARG 41 1HH2 ARG 41 15.619 -3.918 -3.974 334 HH22 ARG 41 2HH2 ARG 41 16.701 -3.258 -5.159 335 H ASP 42 H ASP 42 11.633 0.282 -4.440 336 HA ASP 42 HA ASP 42 12.178 2.671 -5.881 337 HB2 ASP 42 2HB ASP 42 12.201 0.438 -6.970 338 HB3 ASP 42 3HB ASP 42 10.464 0.282 -6.719 339 H ILE 43 H ILE 43 9.225 1.379 -4.472 340 HA ILE 43 HA ILE 43 7.397 3.190 -5.703 341 HB ILE 43 HB ILE 43 7.130 1.389 -3.259 342 HG12 ILE 43 2HG1 ILE 43 5.919 1.135 -6.063 343 HG13 ILE 43 3HG1 ILE 43 7.337 0.257 -5.504 344 HG21 ILE 43 1HG2 ILE 43 4.710 1.830 -3.301 345 HG22 ILE 43 2HG2 ILE 43 4.935 3.029 -4.570 346 HG23 ILE 43 3HG2 ILE 43 5.613 3.306 -2.966 347 HD11 ILE 43 3HD1 ILE 43 5.960 -0.860 -3.809 348 HD12 ILE 43 1HD1 ILE 43 5.399 -1.162 -5.453 349 HD13 ILE 43 2HD1 ILE 43 4.537 -0.017 -4.426 350 H ILE 44 H ILE 44 9.026 3.151 -2.511 351 HA ILE 44 HA ILE 44 7.912 5.578 -1.550 352 HB ILE 44 HB ILE 44 10.488 4.151 -0.759 353 HG12 ILE 44 2HG1 ILE 44 7.721 4.223 0.549 354 HG13 ILE 44 3HG1 ILE 44 8.384 2.869 -0.359 355 HG21 ILE 44 1HG2 ILE 44 10.665 6.542 -0.140 356 HG22 ILE 44 2HG2 ILE 44 10.484 5.541 1.302 357 HG23 ILE 44 3HG2 ILE 44 9.105 6.454 0.682 358 HD11 ILE 44 3HD1 ILE 44 8.504 2.460 2.005 359 HD12 ILE 44 1HD1 ILE 44 9.431 3.942 2.250 360 HD13 ILE 44 2HD1 ILE 44 10.125 2.605 1.329 361 H LYS 45 H LYS 45 10.842 4.843 -3.441 362 HA LYS 45 HA LYS 45 11.948 7.395 -3.729 363 HB2 LYS 45 2HB LYS 45 12.989 5.265 -4.522 364 HB3 LYS 45 3HB LYS 45 11.813 5.168 -5.817 365 HG2 LYS 45 2HG LYS 45 13.681 7.539 -5.611 366 HG3 LYS 45 3HG LYS 45 14.235 6.030 -6.317 367 HD2 LYS 45 2HD LYS 45 11.840 7.601 -7.359 368 HD3 LYS 45 3HD LYS 45 13.476 7.786 -7.981 369 HE2 LYS 45 2HE LYS 45 12.407 6.326 -9.507 370 HE3 LYS 45 3HE LYS 45 13.394 5.266 -8.508 371 HZ1 LYS 45 3HZ LYS 45 10.468 5.710 -8.241 372 HZ2 LYS 45 1HZ LYS 45 11.392 4.713 -7.236 373 HZ3 LYS 45 2HZ LYS 45 11.219 4.333 -8.872 374 H SER 46 H SER 46 9.238 5.863 -5.432 375 HA SER 46 HA SER 46 8.778 7.888 -7.379 376 HB2 SER 46 2HB SER 46 8.006 5.540 -7.632 377 HB3 SER 46 3HB SER 46 6.873 5.760 -6.296 378 HG SER 46 HG SER 46 6.875 7.256 -8.714 379 H MET 47 H MET 47 7.638 7.381 -4.077 380 HA MET 47 HA MET 47 5.633 9.441 -4.001 381 HB2 MET 47 2HB MET 47 7.183 8.139 -1.715 382 HB3 MET 47 3HB MET 47 5.737 9.126 -1.529 383 HG2 MET 47 2HG MET 47 4.372 7.472 -2.585 384 HG3 MET 47 3HG MET 47 5.784 6.549 -3.099 385 HE1 MET 47 3HE MET 47 5.300 8.293 0.388 386 HE2 MET 47 1HE MET 47 4.590 6.986 1.334 387 HE3 MET 47 2HE MET 47 3.669 7.727 0.029 388 H LYS 48 H LYS 48 9.076 9.261 -3.311 389 HA LYS 48 HA LYS 48 9.379 11.892 -2.192 390 HB2 LYS 48 2HB LYS 48 11.474 9.972 -3.316 391 HB3 LYS 48 3HB LYS 48 11.822 11.427 -2.382 392 HG2 LYS 48 2HG LYS 48 10.616 10.448 -0.441 393 HG3 LYS 48 3HG LYS 48 10.344 8.983 -1.377 394 HD2 LYS 48 2HD LYS 48 12.219 8.440 -0.053 395 HD3 LYS 48 3HD LYS 48 12.932 8.870 -1.608 396 HE2 LYS 48 2HE LYS 48 12.705 10.754 0.762 397 HE3 LYS 48 3HE LYS 48 14.138 9.815 0.369 398 HZ1 LYS 48 3HZ LYS 48 14.249 12.124 -0.381 399 HZ2 LYS 48 1HZ LYS 48 12.937 11.862 -1.409 400 HZ3 LYS 48 2HZ LYS 48 14.386 11.033 -1.660 401 H ASP 49 H ASP 49 9.597 10.439 -5.351 402 HA ASP 49 HA ASP 49 10.959 12.557 -6.725 403 HB2 ASP 49 2HB ASP 49 11.015 10.211 -7.535 404 HB3 ASP 49 3HB ASP 49 9.273 10.227 -7.794 405 H ASN 50 H ASN 50 7.623 11.511 -6.332 406 HA ASN 50 HA ASN 50 6.617 14.143 -7.189 407 HB2 ASN 50 2HB ASN 50 6.494 12.658 -9.176 408 HB3 ASN 50 3HB ASN 50 5.608 11.453 -8.243 409 HD21 ASN 50 1HD2 ASN 50 3.421 11.810 -7.815 410 HD22 ASN 50 2HD2 ASN 50 2.499 13.049 -8.584 411 H GLY 51 H GLY 51 5.467 14.852 -5.496 412 HA2 GLY 51 2HA GLY 51 4.457 13.303 -3.365 413 HA3 GLY 51 3HA GLY 51 4.038 14.969 -3.724 414 H LYS 52 H LYS 52 2.969 11.734 -3.775 415 HA LYS 52 HA LYS 52 0.332 12.472 -4.819 416 HB2 LYS 52 2HB LYS 52 0.328 10.563 -6.418 417 HB3 LYS 52 3HB LYS 52 1.570 11.747 -6.812 418 HG2 LYS 52 2HG LYS 52 3.278 10.283 -5.716 419 HG3 LYS 52 3HG LYS 52 2.020 9.071 -5.443 420 HD2 LYS 52 2HD LYS 52 1.663 8.918 -7.900 421 HD3 LYS 52 3HD LYS 52 2.941 10.110 -8.149 422 HE2 LYS 52 2HE LYS 52 4.597 8.587 -7.214 423 HE3 LYS 52 3HE LYS 52 3.336 7.410 -6.828 424 HZ1 LYS 52 3HZ LYS 52 2.869 7.224 -9.207 425 HZ2 LYS 52 1HZ LYS 52 4.474 6.816 -8.852 426 HZ3 LYS 52 2HZ LYS 52 4.115 8.312 -9.547 427 HA PRO 53 HA PRO 53 -0.799 9.429 -1.652 428 HB2 PRO 53 2HB PRO 53 -3.479 9.226 -2.115 429 HB3 PRO 53 3HB PRO 53 -2.761 10.696 -1.424 430 HG2 PRO 53 2HG PRO 53 -3.668 10.186 -4.230 431 HG3 PRO 53 3HG PRO 53 -3.801 11.665 -3.255 432 HD2 PRO 53 2HD PRO 53 -1.838 11.213 -5.194 433 HD3 PRO 53 3HD PRO 53 -1.711 12.402 -3.879 434 H LEU 54 H LEU 54 0.272 7.565 -2.272 435 HA LEU 54 HA LEU 54 -0.817 5.796 -4.349 436 HB2 LEU 54 2HB LEU 54 1.708 5.807 -2.685 437 HB3 LEU 54 3HB LEU 54 1.201 4.310 -3.448 438 HG LEU 54 HG LEU 54 1.795 6.896 -4.952 439 HD11 LEU 54 1HD1 LEU 54 3.829 5.813 -5.733 440 HD12 LEU 54 2HD1 LEU 54 3.483 4.382 -4.758 441 HD13 LEU 54 3HD1 LEU 54 3.831 5.922 -3.975 442 HD21 LEU 54 3HD2 LEU 54 0.140 5.501 -6.096 443 HD22 LEU 54 1HD2 LEU 54 1.214 4.106 -5.997 444 HD23 LEU 54 2HD2 LEU 54 1.667 5.509 -6.971 445 H VAL 55 H VAL 55 -1.557 3.693 -3.922 446 HA VAL 55 HA VAL 55 -1.965 2.894 -1.089 447 HB VAL 55 HB VAL 55 -3.873 2.308 -3.426 448 HG11 VAL 55 1HG1 VAL 55 -4.139 1.604 -0.476 449 HG12 VAL 55 2HG1 VAL 55 -3.799 0.470 -1.785 450 HG13 VAL 55 3HG1 VAL 55 -5.352 1.303 -1.721 451 HG21 VAL 55 3HG2 VAL 55 -4.065 4.668 -2.734 452 HG22 VAL 55 1HG2 VAL 55 -4.294 4.176 -1.053 453 HG23 VAL 55 2HG2 VAL 55 -5.511 3.770 -2.267 454 H VAL 56 H VAL 56 -0.342 1.419 -0.852 455 HA VAL 56 HA VAL 56 0.387 -0.342 -3.111 456 HB VAL 56 HB VAL 56 1.973 0.428 -0.622 457 HG11 VAL 56 1HG1 VAL 56 2.812 -1.400 -2.913 458 HG12 VAL 56 2HG1 VAL 56 2.538 -1.892 -1.240 459 HG13 VAL 56 3HG1 VAL 56 3.878 -0.813 -1.633 460 HG21 VAL 56 3HG2 VAL 56 3.403 1.651 -2.151 461 HG22 VAL 56 1HG2 VAL 56 1.737 2.186 -2.375 462 HG23 VAL 56 2HG2 VAL 56 2.474 1.082 -3.540 463 H PHE 57 H PHE 57 -0.600 -2.203 -3.053 464 HA PHE 57 HA PHE 57 -1.241 -3.677 -0.639 465 HB2 PHE 57 2HB PHE 57 -1.427 -4.359 -3.613 466 HB3 PHE 57 3HB PHE 57 -2.000 -5.402 -2.321 467 HD1 PHE 57 HD1 PHE 57 -2.516 -2.042 -3.886 468 HD2 PHE 57 HD2 PHE 57 -4.166 -5.107 -1.396 469 HE1 PHE 57 HE1 PHE 57 -4.692 -0.887 -3.897 470 HE2 PHE 57 HE2 PHE 57 -6.332 -3.944 -1.419 471 HZ PHE 57 HZ PHE 57 -6.598 -1.835 -2.663 472 H VAL 58 H VAL 58 0.577 -4.518 0.419 473 HA VAL 58 HA VAL 58 2.762 -5.730 -1.079 474 HB VAL 58 HB VAL 58 3.556 -6.642 1.166 475 HG11 VAL 58 1HG1 VAL 58 4.345 -4.439 2.013 476 HG12 VAL 58 2HG1 VAL 58 3.202 -3.635 0.935 477 HG13 VAL 58 3HG1 VAL 58 4.515 -4.603 0.266 478 HG21 VAL 58 3HG2 VAL 58 1.429 -6.687 2.396 479 HG22 VAL 58 1HG2 VAL 58 1.321 -4.928 2.318 480 HG23 VAL 58 2HG2 VAL 58 2.615 -5.694 3.246 481 H ASN 59 H ASN 59 2.200 -7.421 -2.290 482 HA ASN 59 HA ASN 59 0.040 -9.181 -1.638 483 HB2 ASN 59 2HB ASN 59 0.615 -8.598 -3.997 484 HB3 ASN 59 3HB ASN 59 2.128 -9.487 -3.841 485 HD21 ASN 59 1HD2 ASN 59 2.055 -11.781 -3.735 486 HD22 ASN 59 2HD2 ASN 59 0.640 -12.671 -4.177 487 H GLY 60 H GLY 60 0.602 -9.973 0.381 488 HA2 GLY 60 2HA GLY 60 1.431 -11.391 1.945 489 HA3 GLY 60 3HA GLY 60 1.625 -12.518 0.605 490 H ALA 61 H ALA 61 3.282 -9.440 1.180 491 HA ALA 61 HA ALA 61 5.905 -10.547 0.820 492 HB1 ALA 61 3HB ALA 61 5.372 -8.235 0.141 493 HB2 ALA 61 1HB ALA 61 6.702 -8.264 1.302 494 HB3 ALA 61 2HB ALA 61 5.082 -7.798 1.824 495 H SER 62 H SER 62 7.639 -10.415 2.450 496 HA SER 62 HA SER 62 6.854 -11.547 4.989 497 HB2 SER 62 2HB SER 62 9.624 -10.647 4.042 498 HB3 SER 62 3HB SER 62 9.279 -11.737 5.391 499 HG SER 62 HG SER 62 8.063 -12.795 3.354 500 H GLN 63 H GLN 63 7.640 -10.652 7.077 501 HA GLN 63 HA GLN 63 6.869 -7.961 7.503 502 HB2 GLN 63 2HB GLN 63 6.650 -9.681 9.270 503 HB3 GLN 63 3HB GLN 63 8.402 -9.836 9.365 504 HG2 GLN 63 2HG GLN 63 8.584 -7.533 10.205 505 HG3 GLN 63 3HG GLN 63 6.844 -7.317 10.031 506 HE21 GLN 63 1HE2 GLN 63 5.468 -8.255 11.544 507 HE22 GLN 63 2HE2 GLN 63 6.035 -8.913 13.040 508 H ASN 64 H ASN 64 9.919 -9.421 6.633 509 HA ASN 64 HA ASN 64 11.757 -7.407 7.348 510 HB2 ASN 64 2HB ASN 64 11.797 -9.205 4.869 511 HB3 ASN 64 3HB ASN 64 13.168 -8.259 5.448 512 HD21 ASN 64 1HD2 ASN 64 13.048 -11.081 5.063 513 HD22 ASN 64 2HD2 ASN 64 13.352 -11.815 6.597 514 H ASP 65 H ASP 65 9.819 -7.852 4.392 515 HA ASP 65 HA ASP 65 10.586 -5.556 2.964 516 HB2 ASP 65 2HB ASP 65 7.898 -7.013 2.891 517 HB3 ASP 65 3HB ASP 65 8.488 -5.901 1.660 518 H VAL 66 H VAL 66 8.009 -6.104 5.314 519 HA VAL 66 HA VAL 66 6.685 -3.599 5.064 520 HB VAL 66 HB VAL 66 6.600 -5.680 7.300 521 HG11 VAL 66 1HG1 VAL 66 5.843 -3.486 8.160 522 HG12 VAL 66 2HG1 VAL 66 4.498 -4.621 8.044 523 HG13 VAL 66 3HG1 VAL 66 4.691 -3.353 6.827 524 HG21 VAL 66 3HG2 VAL 66 4.485 -6.407 6.211 525 HG22 VAL 66 1HG2 VAL 66 5.860 -6.539 5.110 526 HG23 VAL 66 2HG2 VAL 66 4.725 -5.198 4.946 527 H ASN 67 H ASN 67 9.134 -4.835 7.350 528 HA ASN 67 HA ASN 67 9.244 -2.626 9.121 529 HB2 ASN 67 2HB ASN 67 11.418 -4.667 8.425 530 HB3 ASN 67 3HB ASN 67 11.589 -3.468 9.705 531 HD21 ASN 67 1HD2 ASN 67 11.661 -6.352 9.881 532 HD22 ASN 67 2HD2 ASN 67 10.418 -6.797 10.998 533 H GLU 68 H GLU 68 11.249 -3.538 6.309 534 HA GLU 68 HA GLU 68 12.892 -1.262 6.303 535 HB2 GLU 68 2HB GLU 68 12.202 -3.130 3.988 536 HB3 GLU 68 3HB GLU 68 13.495 -1.936 3.964 537 HG2 GLU 68 2HG GLU 68 13.308 -4.391 5.716 538 HG3 GLU 68 3HG GLU 68 14.464 -4.090 4.421 539 H PHE 69 H PHE 69 9.726 -1.835 4.833 540 HA PHE 69 HA PHE 69 9.618 0.414 3.123 541 HB2 PHE 69 2HB PHE 69 8.000 -1.550 3.142 542 HB3 PHE 69 3HB PHE 69 7.257 -0.871 4.583 543 HD1 PHE 69 HD1 PHE 69 5.899 1.215 4.420 544 HD2 PHE 69 HD2 PHE 69 7.627 -0.574 0.941 545 HE1 PHE 69 HE1 PHE 69 4.418 2.548 2.983 546 HE2 PHE 69 HE2 PHE 69 6.138 0.761 -0.489 547 HZ PHE 69 HZ PHE 69 4.534 2.323 0.533 548 H GLN 70 H GLN 70 8.497 -0.063 6.460 549 HA GLN 70 HA GLN 70 7.593 2.576 6.948 550 HB2 GLN 70 2HB GLN 70 8.473 0.430 8.922 551 HB3 GLN 70 3HB GLN 70 7.582 1.893 9.344 552 HG2 GLN 70 2HG GLN 70 5.657 1.166 8.047 553 HG3 GLN 70 3HG GLN 70 6.541 -0.242 7.454 554 HE21 GLN 70 1HE2 GLN 70 6.936 -1.984 8.878 555 HE22 GLN 70 2HE2 GLN 70 6.064 -2.168 10.359 556 H ASN 71 H ASN 71 10.727 0.981 7.306 557 HA ASN 71 HA ASN 71 12.064 2.943 8.870 558 HB2 ASN 71 2HB ASN 71 13.160 0.775 7.006 559 HB3 ASN 71 3HB ASN 71 14.205 1.831 7.952 560 HD21 ASN 71 1HD2 ASN 71 13.895 -1.067 8.054 561 HD22 ASN 71 2HD2 ASN 71 13.471 -1.439 9.686 562 H GLU 72 H GLU 72 12.146 2.269 5.359 563 HA GLU 72 HA GLU 72 13.763 4.374 4.502 564 HB2 GLU 72 2HB GLU 72 11.467 3.008 3.039 565 HB3 GLU 72 3HB GLU 72 12.634 4.065 2.264 566 HG2 GLU 72 2HG GLU 72 13.359 1.477 3.651 567 HG3 GLU 72 3HG GLU 72 13.019 1.600 1.934 568 H ALA 73 H ALA 73 10.282 4.244 5.089 569 HA ALA 73 HA ALA 73 9.609 6.805 4.095 570 HB1 ALA 73 3HB ALA 73 7.966 5.016 4.427 571 HB2 ALA 73 1HB ALA 73 7.493 6.477 5.296 572 HB3 ALA 73 2HB ALA 73 8.195 5.115 6.175 573 H LYS 74 H LYS 74 10.232 5.718 7.490 574 HA LYS 74 HA LYS 74 9.645 8.300 8.597 575 HB2 LYS 74 2HB LYS 74 10.365 7.327 10.780 576 HB3 LYS 74 3HB LYS 74 9.169 6.358 9.937 577 HG2 LYS 74 2HG LYS 74 10.573 4.692 10.677 578 HG3 LYS 74 3HG LYS 74 11.284 5.006 9.098 579 HD2 LYS 74 2HD LYS 74 13.088 4.791 10.672 580 HD3 LYS 74 3HD LYS 74 12.979 6.502 10.260 581 HE2 LYS 74 2HE LYS 74 11.848 6.974 12.369 582 HE3 LYS 74 3HE LYS 74 11.770 5.253 12.755 583 HZ1 LYS 74 3HZ LYS 74 13.562 6.296 13.936 584 HZ2 LYS 74 1HZ LYS 74 14.240 6.875 12.502 585 HZ3 LYS 74 2HZ LYS 74 14.197 5.214 12.806 586 H LYS 75 H LYS 75 12.660 6.769 7.595 587 HA LYS 75 HA LYS 75 14.392 8.631 8.955 588 HB2 LYS 75 2HB LYS 75 16.232 7.578 7.780 589 HB3 LYS 75 3HB LYS 75 15.123 6.320 8.306 590 HG2 LYS 75 2HG LYS 75 14.197 6.179 6.012 591 HG3 LYS 75 3HG LYS 75 15.316 7.440 5.499 592 HD2 LYS 75 2HD LYS 75 16.175 5.278 4.812 593 HD3 LYS 75 3HD LYS 75 17.229 5.948 6.057 594 HE2 LYS 75 2HE LYS 75 16.317 4.447 7.722 595 HE3 LYS 75 3HE LYS 75 15.055 3.903 6.611 596 HZ1 LYS 75 3HZ LYS 75 17.976 3.449 6.295 597 HZ2 LYS 75 1HZ LYS 75 16.788 2.972 5.188 598 HZ3 LYS 75 2HZ LYS 75 16.821 2.293 6.735 599 H GLU 76 H GLU 76 12.767 8.544 5.865 600 HA GLU 76 HA GLU 76 14.281 10.853 4.832 601 HB2 GLU 76 2HB GLU 76 12.291 9.003 3.460 602 HB3 GLU 76 3HB GLU 76 13.160 10.316 2.677 603 HG2 GLU 76 2HG GLU 76 14.375 7.807 3.860 604 HG3 GLU 76 3HG GLU 76 14.217 8.192 2.148 605 H GLY 77 H GLY 77 11.627 10.438 6.734 606 HA2 GLY 77 2HA GLY 77 10.047 11.942 7.468 607 HA3 GLY 77 3HA GLY 77 10.658 13.111 6.314 608 H VAL 78 H VAL 78 9.852 10.161 4.887 609 HA VAL 78 HA VAL 78 7.703 11.295 3.348 610 HB VAL 78 HB VAL 78 8.770 8.427 3.370 611 HG11 VAL 78 1HG1 VAL 78 7.812 8.245 1.110 612 HG12 VAL 78 2HG1 VAL 78 7.179 9.887 1.229 613 HG13 VAL 78 3HG1 VAL 78 6.555 8.623 2.291 614 HG21 VAL 78 3HG2 VAL 78 10.191 9.058 1.483 615 HG22 VAL 78 1HG2 VAL 78 10.570 10.053 2.891 616 HG23 VAL 78 2HG2 VAL 78 9.611 10.722 1.569 617 H SER 79 H SER 79 5.676 11.334 4.075 618 HA SER 79 HA SER 79 4.725 9.949 6.357 619 HB2 SER 79 2HB SER 79 2.478 10.913 5.642 620 HB3 SER 79 3HB SER 79 3.767 12.106 5.794 621 HG SER 79 HG SER 79 3.642 11.056 3.279 622 H TYR 80 H TYR 80 3.363 8.199 6.525 623 HA TYR 80 HA TYR 80 2.419 6.720 4.188 624 HB2 TYR 80 2HB TYR 80 3.523 4.637 4.762 625 HB3 TYR 80 3HB TYR 80 4.772 5.869 4.668 626 HD1 TYR 80 HD2 TYR 80 5.773 6.791 6.850 627 HD2 TYR 80 HD1 TYR 80 3.174 3.385 6.797 628 HE1 TYR 80 HE2 TYR 80 6.547 6.146 9.092 629 HE2 TYR 80 HE1 TYR 80 3.962 2.760 9.036 630 HH TYR 80 HH TYR 80 5.789 3.109 10.502 631 H ASP 81 H ASP 81 1.197 4.669 5.113 632 HA ASP 81 HA ASP 81 0.243 4.907 7.849 633 HB2 ASP 81 2HB ASP 81 -1.256 6.455 6.545 634 HB3 ASP 81 3HB ASP 81 -1.744 5.097 5.534 635 H VAL 82 H VAL 82 0.044 2.892 8.615 636 HA VAL 82 HA VAL 82 0.167 0.602 6.796 637 HB VAL 82 HB VAL 82 0.285 0.633 9.861 638 HG11 VAL 82 1HG1 VAL 82 1.114 -1.694 9.666 639 HG12 VAL 82 2HG1 VAL 82 0.898 -1.633 7.917 640 HG13 VAL 82 3HG1 VAL 82 -0.506 -1.543 8.980 641 HG21 VAL 82 3HG2 VAL 82 2.214 1.812 8.881 642 HG22 VAL 82 1HG2 VAL 82 2.553 0.428 7.838 643 HG23 VAL 82 2HG2 VAL 82 2.727 0.280 9.589 644 H LEU 83 H LEU 83 -1.561 -0.494 6.245 645 HA LEU 83 HA LEU 83 -4.049 -0.451 7.852 646 HB2 LEU 83 2HB LEU 83 -4.331 0.669 5.696 647 HB3 LEU 83 3HB LEU 83 -3.625 -0.696 4.844 648 HG LEU 83 HG LEU 83 -5.586 -2.100 5.480 649 HD11 LEU 83 1HD1 LEU 83 -7.600 -1.095 6.463 650 HD12 LEU 83 2HD1 LEU 83 -6.731 0.420 6.715 651 HD13 LEU 83 3HD1 LEU 83 -6.233 -1.038 7.576 652 HD21 LEU 83 3HD2 LEU 83 -5.583 -0.968 3.328 653 HD22 LEU 83 1HD2 LEU 83 -6.290 0.479 4.051 654 HD23 LEU 83 2HD2 LEU 83 -7.220 -1.020 3.977 655 H LYS 84 H LYS 84 -3.769 -2.271 9.051 656 HA LYS 84 HA LYS 84 -2.912 -4.800 7.783 657 HB2 LYS 84 2HB LYS 84 -1.797 -3.920 9.928 658 HB3 LYS 84 3HB LYS 84 -3.324 -4.214 10.752 659 HG2 LYS 84 2HG LYS 84 -2.034 -6.135 11.228 660 HG3 LYS 84 3HG LYS 84 -3.104 -6.658 9.927 661 HD2 LYS 84 2HD LYS 84 -0.902 -7.502 9.440 662 HD3 LYS 84 3HD LYS 84 -1.221 -6.187 8.303 663 HE2 LYS 84 2HE LYS 84 1.070 -6.045 9.173 664 HE3 LYS 84 3HE LYS 84 0.130 -4.653 9.705 665 HZ1 LYS 84 3HZ LYS 84 1.512 -5.593 11.467 666 HZ2 LYS 84 1HZ LYS 84 0.698 -7.069 11.339 667 HZ3 LYS 84 2HZ LYS 84 -0.128 -5.689 11.861 668 H SER 85 H SER 85 -4.770 -5.637 6.805 669 HA SER 85 HA SER 85 -6.831 -6.709 8.511 670 HB2 SER 85 2HB SER 85 -7.811 -4.495 8.361 671 HB3 SER 85 3HB SER 85 -7.575 -4.443 6.618 672 HG SER 85 HG SER 85 -9.680 -5.332 7.945 673 H THR 86 H THR 86 -8.420 -7.960 7.343 674 HA THR 86 HA THR 86 -7.452 -9.107 4.778 675 HB THR 86 HB THR 86 -8.184 -11.353 5.716 676 HG1 THR 86 HG1 THR 86 -8.341 -9.869 8.153 677 HG21 THR 86 3HG2 THR 86 -6.024 -9.954 7.343 678 HG22 THR 86 1HG2 THR 86 -5.786 -10.746 5.780 679 HG23 THR 86 2HG2 THR 86 -6.231 -11.700 7.194 680 H ASP 87 H ASP 87 -9.812 -7.299 5.990 681 HA ASP 87 HA ASP 87 -12.178 -8.787 5.077 682 HB2 ASP 87 2HB ASP 87 -11.915 -6.014 6.349 683 HB3 ASP 87 3HB ASP 87 -13.432 -6.850 6.022 684 HA PRO 88 HA PRO 88 -11.379 -6.998 0.974 685 HB2 PRO 88 2HB PRO 88 -13.826 -7.719 -0.218 686 HB3 PRO 88 3HB PRO 88 -12.415 -8.788 -0.065 687 HG2 PRO 88 2HG PRO 88 -14.843 -8.632 1.684 688 HG3 PRO 88 3HG PRO 88 -13.965 -10.065 1.102 689 HD2 PRO 88 2HD PRO 88 -13.615 -9.178 3.615 690 HD3 PRO 88 3HD PRO 88 -12.246 -9.827 2.685 691 H GLU 89 H GLU 89 -14.647 -6.436 2.362 692 HA GLU 89 HA GLU 89 -15.197 -4.130 0.810 693 HB2 GLU 89 2HB GLU 89 -17.148 -3.795 2.191 694 HB3 GLU 89 3HB GLU 89 -16.959 -5.526 1.938 695 HG2 GLU 89 2HG GLU 89 -16.043 -5.796 4.191 696 HG3 GLU 89 3HG GLU 89 -16.100 -4.054 4.454 697 H GLU 90 H GLU 90 -13.637 -4.561 3.981 698 HA GLU 90 HA GLU 90 -13.712 -1.835 4.797 699 HB2 GLU 90 2HB GLU 90 -13.375 -3.511 6.505 700 HB3 GLU 90 3HB GLU 90 -11.919 -4.119 5.715 701 HG2 GLU 90 2HG GLU 90 -10.661 -2.161 6.293 702 HG3 GLU 90 3HG GLU 90 -12.106 -1.257 6.721 703 H LEU 91 H LEU 91 -11.072 -3.852 3.447 704 HA LEU 91 HA LEU 91 -9.122 -1.890 3.192 705 HB2 LEU 91 2HB LEU 91 -9.584 -4.277 1.365 706 HB3 LEU 91 3HB LEU 91 -8.102 -3.340 1.433 707 HG LEU 91 HG LEU 91 -9.208 -5.081 3.676 708 HD11 LEU 91 1HD1 LEU 91 -7.293 -6.541 3.244 709 HD12 LEU 91 2HD1 LEU 91 -6.770 -5.503 1.915 710 HD13 LEU 91 3HD1 LEU 91 -8.293 -6.386 1.799 711 HD21 LEU 91 3HD2 LEU 91 -6.638 -3.481 3.583 712 HD22 LEU 91 1HD2 LEU 91 -7.092 -4.632 4.841 713 HD23 LEU 91 2HD2 LEU 91 -8.038 -3.163 4.612 714 H THR 92 H THR 92 -11.780 -2.698 0.981 715 HA THR 92 HA THR 92 -11.060 -1.051 -1.205 716 HB THR 92 HB THR 92 -13.838 -2.032 -0.396 717 HG1 THR 92 HG1 THR 92 -11.956 -3.554 -0.944 718 HG21 THR 92 3HG2 THR 92 -13.996 -0.192 -2.050 719 HG22 THR 92 1HG2 THR 92 -14.432 -1.737 -2.791 720 HG23 THR 92 2HG2 THR 92 -12.847 -1.027 -3.096 721 H GLN 93 H GLN 93 -13.252 -0.385 1.620 722 HA GLN 93 HA GLN 93 -13.815 2.272 0.682 723 HB2 GLN 93 2HB GLN 93 -14.962 2.672 2.858 724 HB3 GLN 93 3HB GLN 93 -15.551 1.274 1.987 725 HG2 GLN 93 2HG GLN 93 -15.574 0.651 4.250 726 HG3 GLN 93 3HG GLN 93 -14.174 -0.160 3.567 727 HE21 GLN 93 1HE2 GLN 93 -14.107 3.265 4.445 728 HE22 GLN 93 2HE2 GLN 93 -13.072 3.067 5.810 729 H ARG 94 H ARG 94 -11.258 0.884 2.558 730 HA ARG 94 HA ARG 94 -10.328 3.295 3.777 731 HB2 ARG 94 2HB ARG 94 -8.762 0.775 3.079 732 HB3 ARG 94 3HB ARG 94 -8.161 2.095 4.079 733 HG2 ARG 94 2HG ARG 94 -10.484 0.275 4.736 734 HG3 ARG 94 3HG ARG 94 -8.879 0.219 5.451 735 HD2 ARG 94 2HD ARG 94 -9.279 2.533 6.356 736 HD3 ARG 94 3HD ARG 94 -10.934 2.428 5.747 737 HE ARG 94 HE ARG 94 -11.396 0.707 7.314 738 HH11 ARG 94 1HH1 ARG 94 -8.209 2.132 7.782 739 HH12 ARG 94 2HH1 ARG 94 -8.057 1.523 9.404 740 HH21 ARG 94 1HH2 ARG 94 -11.147 -0.116 9.403 741 HH22 ARG 94 2HH2 ARG 94 -9.716 0.259 10.311 742 H VAL 95 H VAL 95 -9.682 1.689 0.657 743 HA VAL 95 HA VAL 95 -7.543 3.229 -0.273 744 HB VAL 95 HB VAL 95 -9.827 2.024 -1.919 745 HG11 VAL 95 1HG1 VAL 95 -8.684 3.736 -3.255 746 HG12 VAL 95 2HG1 VAL 95 -8.277 2.135 -3.868 747 HG13 VAL 95 3HG1 VAL 95 -7.112 3.022 -2.882 748 HG21 VAL 95 3HG2 VAL 95 -8.249 0.153 -2.361 749 HG22 VAL 95 1HG2 VAL 95 -8.621 0.314 -0.645 750 HG23 VAL 95 2HG2 VAL 95 -7.078 0.893 -1.268 751 H ARG 96 H ARG 96 -11.051 3.760 -0.777 752 HA ARG 96 HA ARG 96 -10.741 6.176 -2.245 753 HB2 ARG 96 2HB ARG 96 -13.193 6.420 -2.004 754 HB3 ARG 96 3HB ARG 96 -12.700 4.833 -2.575 755 HG2 ARG 96 2HG ARG 96 -13.030 3.934 -0.270 756 HG3 ARG 96 3HG ARG 96 -13.647 5.517 0.226 757 HD2 ARG 96 2HD ARG 96 -15.446 3.874 -0.322 758 HD3 ARG 96 3HD ARG 96 -15.510 5.331 -1.318 759 HE ARG 96 HE ARG 96 -14.489 4.049 -3.127 760 HH11 ARG 96 1HH1 ARG 96 -16.000 2.153 -0.567 761 HH12 ARG 96 2HH1 ARG 96 -16.210 0.761 -1.584 762 HH21 ARG 96 1HH2 ARG 96 -14.754 2.232 -4.412 763 HH22 ARG 96 2HH2 ARG 96 -15.507 0.810 -3.760 764 H GLU 97 H GLU 97 -11.423 5.555 1.217 765 HA GLU 97 HA GLU 97 -11.893 8.259 1.948 766 HB2 GLU 97 2HB GLU 97 -11.007 5.862 3.604 767 HB3 GLU 97 3HB GLU 97 -11.347 7.439 4.309 768 HG2 GLU 97 2HG GLU 97 -13.310 5.672 2.828 769 HG3 GLU 97 3HG GLU 97 -13.273 5.980 4.563 770 H PHE 98 H PHE 98 -8.981 6.331 1.623 771 HA PHE 98 HA PHE 98 -7.167 8.122 2.893 772 HB2 PHE 98 2HB PHE 98 -6.627 5.727 2.590 773 HB3 PHE 98 3HB PHE 98 -6.642 5.917 0.837 774 HD1 PHE 98 HD1 PHE 98 -4.875 6.938 3.953 775 HD2 PHE 98 HD2 PHE 98 -4.674 6.707 -0.322 776 HE1 PHE 98 HE1 PHE 98 -2.511 7.588 4.017 777 HE2 PHE 98 HE2 PHE 98 -2.304 7.356 -0.238 778 HZ PHE 98 HZ PHE 98 -1.237 7.796 1.929 779 H LEU 99 H LEU 99 -7.999 7.501 -0.528 780 HA LEU 99 HA LEU 99 -6.240 9.385 -1.710 781 HB2 LEU 99 2HB LEU 99 -8.864 8.235 -2.740 782 HB3 LEU 99 3HB LEU 99 -7.701 9.101 -3.733 783 HG LEU 99 HG LEU 99 -7.036 6.504 -2.290 784 HD11 LEU 99 1HD1 LEU 99 -7.961 6.848 -5.158 785 HD12 LEU 99 2HD1 LEU 99 -8.841 6.048 -3.853 786 HD13 LEU 99 3HD1 LEU 99 -7.335 5.356 -4.450 787 HD21 LEU 99 3HD2 LEU 99 -5.122 6.404 -3.838 788 HD22 LEU 99 1HD2 LEU 99 -5.074 7.865 -2.849 789 HD23 LEU 99 2HD2 LEU 99 -5.589 7.958 -4.534 790 H LYS 100 H LYS 100 -9.447 9.648 -0.367 791 HA LYS 100 HA LYS 100 -10.147 12.197 -1.478 792 HB2 LYS 100 2HB LYS 100 -11.784 10.404 -0.783 793 HB3 LYS 100 3HB LYS 100 -11.384 10.720 0.893 794 HG2 LYS 100 2HG LYS 100 -12.390 13.003 -0.797 795 HG3 LYS 100 3HG LYS 100 -13.543 11.784 -0.257 796 HD2 LYS 100 2HD LYS 100 -12.909 12.235 2.101 797 HD3 LYS 100 3HD LYS 100 -11.758 13.461 1.557 798 HE2 LYS 100 2HE LYS 100 -13.903 14.434 2.358 799 HE3 LYS 100 3HE LYS 100 -13.576 14.822 0.667 800 HZ1 LYS 100 3HZ LYS 100 -15.878 14.176 1.033 801 HZ2 LYS 100 1HZ LYS 100 -15.392 12.666 1.613 802 HZ3 LYS 100 2HZ LYS 100 -15.105 13.086 -0.001 803 H THR 101 H THR 101 -8.979 11.085 1.756 804 HA THR 101 HA THR 101 -8.995 13.708 2.892 805 HB THR 101 HB THR 101 -9.151 11.795 4.411 806 HG1 THR 101 HG1 THR 101 -6.669 13.104 4.944 807 HG21 THR 101 3HG2 THR 101 -6.262 11.147 3.708 808 HG22 THR 101 1HG2 THR 101 -7.664 10.165 3.278 809 HG23 THR 101 2HG2 THR 101 -7.219 10.373 4.973 810 H ALA 102 H ALA 102 -6.417 11.682 1.490 811 HA ALA 102 HA ALA 102 -4.252 13.443 2.110 812 HB1 ALA 102 3HB ALA 102 -2.912 11.958 0.681 813 HB2 ALA 102 1HB ALA 102 -4.379 11.176 0.079 814 HB3 ALA 102 2HB ALA 102 -3.923 11.019 1.778 815 H GLY 103 H GLY 103 -5.738 12.543 -1.039 816 HA2 GLY 103 2HA GLY 103 -4.858 15.006 -2.337 817 HA3 GLY 103 3HA GLY 103 -5.812 13.706 -3.045 818 H SER 104 H SER 104 -5.986 16.413 -0.756 819 HA SER 104 HA SER 104 -8.758 16.419 -0.320 820 HB2 SER 104 2HB SER 104 -8.354 18.775 0.517 821 HB3 SER 104 3HB SER 104 -7.265 17.574 1.210 822 HG SER 104 HG SER 104 -6.164 18.580 -1.021 823 H LEU 105 H LEU 105 -9.989 16.294 -2.091 824 HA LEU 105 HA LEU 105 -9.691 18.228 -4.312 825 HB2 LEU 105 2HB LEU 105 -9.624 15.675 -4.644 826 HB3 LEU 105 3HB LEU 105 -11.339 15.661 -4.295 827 HG LEU 105 HG LEU 105 -10.130 17.238 -6.622 828 HD11 LEU 105 1HD1 LEU 105 -9.602 14.879 -6.951 829 HD12 LEU 105 2HD1 LEU 105 -10.819 15.410 -8.108 830 HD13 LEU 105 3HD1 LEU 105 -11.297 14.438 -6.712 831 HD21 LEU 105 3HD2 LEU 105 -12.998 16.384 -6.109 832 HD22 LEU 105 1HD2 LEU 105 -12.414 17.208 -7.557 833 HD23 LEU 105 2HD2 LEU 105 -12.364 18.026 -5.998 834 H GLU 106 H GLU 106 -12.026 16.868 -1.989 835 HA GLU 106 HA GLU 106 -14.380 17.889 -3.094 836 HB2 GLU 106 2HB GLU 106 -14.316 16.020 -1.480 837 HB3 GLU 106 3HB GLU 106 -13.868 17.136 -0.194 838 HG2 GLU 106 2HG GLU 106 -16.026 18.311 -0.434 839 HG3 GLU 106 3HG GLU 106 -16.468 17.248 -1.773 840 H HIS 107 H HIS 107 -14.597 19.960 -3.498 841 HA HIS 107 HA HIS 107 -13.859 22.107 -1.669 842 HB2 HIS 107 2HB HIS 107 -15.247 22.227 -4.391 843 HB3 HIS 107 3HB HIS 107 -14.552 23.590 -3.515 844 HD1 HIS 107 HD1 HIS 107 -13.752 21.304 -6.152 845 HD2 HIS 107 HD2 HIS 107 -11.564 23.145 -3.135 846 HE1 HIS 107 HE1 HIS 107 -11.356 21.189 -6.886 847 HE2 HIS 107 HE2 HIS 107 -10.056 22.219 -5.004 848 H HIS 108 H HIS 108 -16.568 20.078 -2.130 849 HA HIS 108 HA HIS 108 -18.662 21.859 -1.301 850 HB2 HIS 108 2HB HIS 108 -18.496 18.807 -1.110 851 HB3 HIS 108 3HB HIS 108 -19.950 19.754 -0.809 852 HD1 HIS 108 HD1 HIS 108 -19.297 17.549 -3.146 853 HD2 HIS 108 HD2 HIS 108 -19.753 21.658 -3.535 854 HE1 HIS 108 HE1 HIS 108 -19.938 17.931 -5.542 855 HE2 HIS 108 HE2 HIS 108 -20.011 20.426 -5.784 856 H HIS 109 H HIS 109 -18.383 22.924 0.573 857 HA HIS 109 HA HIS 109 -16.728 21.872 2.724 858 HB2 HIS 109 2HB HIS 109 -18.178 24.551 2.505 859 HB3 HIS 109 3HB HIS 109 -16.953 24.132 3.700 860 HD1 HIS 109 HD1 HIS 109 -17.268 25.946 0.690 861 HD2 HIS 109 HD2 HIS 109 -14.391 23.349 2.202 862 HE1 HIS 109 HE1 HIS 109 -15.170 26.431 -0.596 863 HE2 HIS 109 HE2 HIS 109 -13.425 24.938 0.416 864 H HIS 110 H HIS 110 -18.003 20.166 3.535 865 HA HIS 110 HA HIS 110 -20.526 20.465 4.805 866 HB2 HIS 110 2HB HIS 110 -19.604 18.241 4.348 867 HB3 HIS 110 3HB HIS 110 -18.215 18.555 5.380 868 HD1 HIS 110 HD1 HIS 110 -21.840 17.611 5.480 869 HD2 HIS 110 HD2 HIS 110 -18.720 18.230 8.151 870 HE1 HIS 110 HE1 HIS 110 -22.621 16.689 7.674 871 HE2 HIS 110 HE2 HIS 110 -20.688 16.996 9.238 872 H HIS 111 H HIS 111 -17.177 20.848 5.925 873 HA HIS 111 HA HIS 111 -18.054 22.274 8.354 874 HB2 HIS 111 2HB HIS 111 -16.242 20.561 8.575 875 HB3 HIS 111 3HB HIS 111 -15.249 21.459 7.434 876 HD1 HIS 111 HD1 HIS 111 -13.824 23.317 8.379 877 HD2 HIS 111 HD2 HIS 111 -16.625 21.937 11.114 878 HE1 HIS 111 HE1 HIS 111 -13.216 24.385 10.563 879 HE2 HIS 111 HE2 HIS 111 -14.820 23.406 12.221 880 H HIS 112 H HIS 112 -18.251 24.427 8.250 881 HA HIS 112 HA HIS 112 -17.439 26.014 6.061 882 HB2 HIS 112 2HB HIS 112 -18.170 27.972 7.412 883 HB3 HIS 112 3HB HIS 112 -19.365 26.680 7.373 884 HD1 HIS 112 HD1 HIS 112 -17.072 28.506 9.707 885 HD2 HIS 112 HD2 HIS 112 -19.894 25.469 9.878 886 HE1 HIS 112 HE1 HIS 112 -17.604 28.205 12.138 887 HE2 HIS 112 HE2 HIS 112 -19.418 26.475 12.194 Start of MODEL 16 1 H1 MET 1 1H MET 1 7.170 14.637 3.674 2 H2 MET 1 2H MET 1 5.905 14.297 4.735 3 H3 MET 1 3H MET 1 6.417 15.894 4.523 4 HA MET 1 HA MET 1 4.347 15.460 3.371 5 HB2 MET 1 2HB MET 1 6.776 15.971 1.605 6 HB3 MET 1 3HB MET 1 5.120 16.165 1.035 7 HG2 MET 1 2HG MET 1 6.071 18.313 1.654 8 HG3 MET 1 3HG MET 1 4.741 17.899 2.740 9 HE1 MET 1 3HE MET 1 7.053 20.187 3.276 10 HE2 MET 1 1HE MET 1 7.240 19.938 5.011 11 HE3 MET 1 2HE MET 1 5.633 19.910 4.283 12 H GLY 2 H GLY 2 3.794 14.622 0.908 13 HA2 GLY 2 2HA GLY 2 3.161 12.757 -0.288 14 HA3 GLY 2 3HA GLY 2 4.521 11.882 0.406 15 H LYS 3 H LYS 3 2.347 10.386 0.151 16 HA LYS 3 HA LYS 3 1.654 9.691 2.842 17 HB2 LYS 3 2HB LYS 3 0.048 11.604 2.383 18 HB3 LYS 3 3HB LYS 3 -0.666 10.649 1.089 19 HG2 LYS 3 2HG LYS 3 -1.459 8.982 2.656 20 HG3 LYS 3 3HG LYS 3 -0.573 9.722 3.988 21 HD2 LYS 3 2HD LYS 3 -2.839 11.076 2.468 22 HD3 LYS 3 3HD LYS 3 -3.032 10.230 4.004 23 HE2 LYS 3 2HE LYS 3 -1.558 11.821 5.118 24 HE3 LYS 3 3HE LYS 3 -1.213 12.621 3.582 25 HZ1 LYS 3 3HZ LYS 3 -3.902 12.469 4.838 26 HZ2 LYS 3 1HZ LYS 3 -3.487 13.331 3.442 27 HZ3 LYS 3 2HZ LYS 3 -2.864 13.795 4.943 28 H VAL 4 H VAL 4 1.267 7.513 2.913 29 HA VAL 4 HA VAL 4 0.351 6.142 0.480 30 HB VAL 4 HB VAL 4 2.845 6.104 0.452 31 HG11 VAL 4 1HG1 VAL 4 2.668 4.395 2.922 32 HG12 VAL 4 2HG1 VAL 4 3.324 6.034 2.836 33 HG13 VAL 4 3HG1 VAL 4 4.126 4.715 1.976 34 HG21 VAL 4 3HG2 VAL 4 3.097 3.709 -0.045 35 HG22 VAL 4 1HG2 VAL 4 1.590 4.354 -0.698 36 HG23 VAL 4 2HG2 VAL 4 1.567 3.379 0.772 37 H LEU 5 H LEU 5 -0.874 4.376 0.807 38 HA LEU 5 HA LEU 5 -1.536 3.598 3.577 39 HB2 LEU 5 2HB LEU 5 -3.413 4.320 2.090 40 HB3 LEU 5 3HB LEU 5 -3.016 3.028 0.970 41 HG LEU 5 HG LEU 5 -3.595 1.342 2.702 42 HD11 LEU 5 1HD1 LEU 5 -4.397 3.693 4.426 43 HD12 LEU 5 2HD1 LEU 5 -3.059 2.578 4.716 44 HD13 LEU 5 3HD1 LEU 5 -4.718 1.992 4.778 45 HD21 LEU 5 3HD2 LEU 5 -5.819 3.340 2.182 46 HD22 LEU 5 1HD2 LEU 5 -6.036 1.663 2.693 47 HD23 LEU 5 2HD2 LEU 5 -5.328 2.018 1.121 48 H LEU 6 H LEU 6 0.071 2.181 4.069 49 HA LEU 6 HA LEU 6 0.927 0.012 2.381 50 HB2 LEU 6 2HB LEU 6 2.365 1.082 4.127 51 HB3 LEU 6 3HB LEU 6 1.280 0.504 5.379 52 HG LEU 6 HG LEU 6 1.915 -1.855 4.797 53 HD11 LEU 6 1HD1 LEU 6 3.862 -2.278 3.358 54 HD12 LEU 6 2HD1 LEU 6 3.897 -0.573 2.903 55 HD13 LEU 6 3HD1 LEU 6 2.515 -1.578 2.462 56 HD21 LEU 6 3HD2 LEU 6 3.071 -0.691 6.631 57 HD22 LEU 6 1HD2 LEU 6 4.264 -0.052 5.495 58 HD23 LEU 6 2HD2 LEU 6 4.171 -1.790 5.800 59 H VAL 7 H VAL 7 -0.969 -1.085 1.802 60 HA VAL 7 HA VAL 7 -2.814 -2.216 3.752 61 HB VAL 7 HB VAL 7 -2.629 -2.732 0.734 62 HG11 VAL 7 1HG1 VAL 7 -4.886 -3.351 2.681 63 HG12 VAL 7 2HG1 VAL 7 -3.849 -4.527 1.868 64 HG13 VAL 7 3HG1 VAL 7 -4.965 -3.540 0.926 65 HG21 VAL 7 3HG2 VAL 7 -4.405 -0.773 2.226 66 HG22 VAL 7 1HG2 VAL 7 -4.484 -1.129 0.498 67 HG23 VAL 7 2HG2 VAL 7 -3.046 -0.363 1.176 68 H ILE 8 H ILE 8 -2.405 -4.084 4.779 69 HA ILE 8 HA ILE 8 -0.478 -6.020 3.636 70 HB ILE 8 HB ILE 8 -0.908 -5.424 6.606 71 HG12 ILE 8 2HG1 ILE 8 1.432 -4.573 4.828 72 HG13 ILE 8 3HG1 ILE 8 0.178 -3.495 5.431 73 HG21 ILE 8 1HG2 ILE 8 -0.184 -7.736 6.156 74 HG22 ILE 8 2HG2 ILE 8 1.109 -6.824 6.933 75 HG23 ILE 8 3HG2 ILE 8 1.177 -7.141 5.198 76 HD11 ILE 8 3HD1 ILE 8 0.899 -3.934 7.717 77 HD12 ILE 8 1HD1 ILE 8 2.196 -3.280 6.718 78 HD13 ILE 8 2HD1 ILE 8 2.172 -5.000 7.108 79 H SER 9 H SER 9 -1.510 -7.809 3.082 80 HA SER 9 HA SER 9 -3.259 -9.169 5.017 81 HB2 SER 9 2HB SER 9 -3.852 -9.206 2.024 82 HB3 SER 9 3HB SER 9 -4.858 -9.832 3.324 83 HG SER 9 HG SER 9 -4.667 -7.376 3.937 84 H THR 10 H THR 10 -2.762 -11.350 5.137 85 HA THR 10 HA THR 10 -0.553 -12.412 3.560 86 HB THR 10 HB THR 10 -0.641 -13.012 5.927 87 HG1 THR 10 HG1 THR 10 -1.245 -15.328 4.380 88 HG21 THR 10 3HG2 THR 10 -3.059 -12.944 6.349 89 HG22 THR 10 1HG2 THR 10 -2.386 -14.490 6.868 90 HG23 THR 10 2HG2 THR 10 -3.289 -14.384 5.355 91 H ASP 11 H ASP 11 -4.042 -12.635 3.677 92 HA ASP 11 HA ASP 11 -4.317 -14.711 1.702 93 HB2 ASP 11 2HB ASP 11 -6.324 -12.680 2.780 94 HB3 ASP 11 3HB ASP 11 -6.730 -14.024 1.720 95 H THR 12 H THR 12 -3.192 -14.129 -0.115 96 HA THR 12 HA THR 12 -3.130 -11.512 -1.233 97 HB THR 12 HB THR 12 -2.259 -14.072 -2.652 98 HG1 THR 12 HG1 THR 12 -0.163 -13.086 -1.516 99 HG21 THR 12 3HG2 THR 12 -1.190 -11.222 -2.787 100 HG22 THR 12 1HG2 THR 12 -2.207 -11.978 -4.018 101 HG23 THR 12 2HG2 THR 12 -0.584 -12.601 -3.708 102 H ASN 13 H ASN 13 -5.355 -14.092 -1.576 103 HA ASN 13 HA ASN 13 -6.562 -13.449 -4.061 104 HB2 ASN 13 2HB ASN 13 -7.831 -14.720 -1.586 105 HB3 ASN 13 3HB ASN 13 -8.562 -14.672 -3.190 106 HD21 ASN 13 1HD2 ASN 13 -7.709 -15.977 -4.840 107 HD22 ASN 13 2HD2 ASN 13 -6.679 -17.318 -4.494 108 H ILE 14 H ILE 14 -7.123 -12.310 -0.739 109 HA ILE 14 HA ILE 14 -9.342 -10.621 -1.272 110 HB ILE 14 HB ILE 14 -7.241 -10.313 0.930 111 HG12 ILE 14 2HG1 ILE 14 -8.267 -12.557 1.027 112 HG13 ILE 14 3HG1 ILE 14 -8.774 -11.585 2.400 113 HG21 ILE 14 1HG2 ILE 14 -8.578 -8.276 0.662 114 HG22 ILE 14 2HG2 ILE 14 -8.976 -9.084 2.177 115 HG23 ILE 14 3HG2 ILE 14 -10.072 -9.211 0.801 116 HD11 ILE 14 3HD1 ILE 14 -10.949 -11.222 1.351 117 HD12 ILE 14 1HD1 ILE 14 -10.588 -12.937 1.521 118 HD13 ILE 14 2HD1 ILE 14 -10.440 -12.163 -0.054 119 H ILE 15 H ILE 15 -5.847 -10.011 -1.007 120 HA ILE 15 HA ILE 15 -5.627 -7.315 -1.536 121 HB ILE 15 HB ILE 15 -3.783 -9.582 -2.425 122 HG12 ILE 15 2HG1 ILE 15 -3.590 -7.734 -0.004 123 HG13 ILE 15 3HG1 ILE 15 -4.176 -9.394 0.043 124 HG21 ILE 15 1HG2 ILE 15 -1.985 -7.875 -2.612 125 HG22 ILE 15 2HG2 ILE 15 -3.180 -6.610 -2.335 126 HG23 ILE 15 3HG2 ILE 15 -3.282 -7.610 -3.782 127 HD11 ILE 15 3HD1 ILE 15 -1.398 -8.521 -0.709 128 HD12 ILE 15 1HD1 ILE 15 -1.989 -10.184 -0.691 129 HD13 ILE 15 2HD1 ILE 15 -1.900 -9.262 0.809 130 H SER 16 H SER 16 -5.501 -9.966 -3.896 131 HA SER 16 HA SER 16 -5.223 -8.447 -6.225 132 HB2 SER 16 2HB SER 16 -4.700 -10.856 -6.115 133 HB3 SER 16 3HB SER 16 -6.398 -11.245 -5.854 134 HG SER 16 HG SER 16 -6.379 -11.443 -7.955 135 H SER 17 H SER 17 -8.143 -9.881 -4.747 136 HA SER 17 HA SER 17 -9.991 -9.191 -6.719 137 HB2 SER 17 2HB SER 17 -10.358 -10.861 -4.889 138 HB3 SER 17 3HB SER 17 -10.563 -9.537 -3.741 139 HG SER 17 HG SER 17 -12.174 -10.256 -5.959 140 H VAL 18 H VAL 18 -9.325 -7.530 -3.634 141 HA VAL 18 HA VAL 18 -11.075 -5.354 -3.932 142 HB VAL 18 HB VAL 18 -8.498 -5.592 -2.306 143 HG11 VAL 18 1HG1 VAL 18 -10.624 -3.415 -2.114 144 HG12 VAL 18 2HG1 VAL 18 -8.958 -3.201 -2.658 145 HG13 VAL 18 3HG1 VAL 18 -9.286 -3.645 -0.986 146 HG21 VAL 18 3HG2 VAL 18 -10.263 -7.185 -1.684 147 HG22 VAL 18 1HG2 VAL 18 -11.410 -5.858 -1.480 148 HG23 VAL 18 2HG2 VAL 18 -10.015 -5.993 -0.408 149 H GLN 19 H GLN 19 -7.646 -5.705 -4.783 150 HA GLN 19 HA GLN 19 -7.082 -3.020 -5.413 151 HB2 GLN 19 2HB GLN 19 -5.388 -4.781 -4.964 152 HB3 GLN 19 3HB GLN 19 -5.798 -5.566 -6.485 153 HG2 GLN 19 2HG GLN 19 -5.035 -3.509 -7.684 154 HG3 GLN 19 3HG GLN 19 -4.518 -2.847 -6.125 155 HE21 GLN 19 1HE2 GLN 19 -2.796 -3.884 -5.018 156 HE22 GLN 19 2HE2 GLN 19 -1.668 -4.882 -5.854 157 H GLU 20 H GLU 20 -8.239 -5.721 -7.416 158 HA GLU 20 HA GLU 20 -8.125 -4.413 -9.926 159 HB2 GLU 20 2HB GLU 20 -9.927 -6.688 -9.009 160 HB3 GLU 20 3HB GLU 20 -9.740 -6.179 -10.681 161 HG2 GLU 20 2HG GLU 20 -7.569 -7.329 -8.918 162 HG3 GLU 20 3HG GLU 20 -8.417 -8.174 -10.201 163 H ARG 21 H ARG 21 -10.660 -4.657 -7.457 164 HA ARG 21 HA ARG 21 -12.746 -3.320 -8.846 165 HB2 ARG 21 2HB ARG 21 -12.292 -3.464 -5.831 166 HB3 ARG 21 3HB ARG 21 -13.815 -3.079 -6.627 167 HG2 ARG 21 2HG ARG 21 -14.005 -5.340 -7.481 168 HG3 ARG 21 3HG ARG 21 -12.389 -5.734 -6.897 169 HD2 ARG 21 2HD ARG 21 -13.250 -5.230 -4.544 170 HD3 ARG 21 3HD ARG 21 -14.869 -5.173 -5.257 171 HE ARG 21 HE ARG 21 -13.506 -7.583 -5.953 172 HH11 ARG 21 1HH1 ARG 21 -15.198 -6.102 -3.233 173 HH12 ARG 21 2HH1 ARG 21 -15.658 -7.626 -2.548 174 HH21 ARG 21 1HH2 ARG 21 -14.147 -9.554 -5.049 175 HH22 ARG 21 2HH2 ARG 21 -15.062 -9.579 -3.576 176 H ALA 22 H ALA 22 -10.193 -2.231 -6.660 177 HA ALA 22 HA ALA 22 -11.204 0.390 -6.169 178 HB1 ALA 22 3HB ALA 22 -8.397 -0.714 -5.744 179 HB2 ALA 22 1HB ALA 22 -9.731 -0.807 -4.590 180 HB3 ALA 22 2HB ALA 22 -9.059 0.762 -5.031 181 H LYS 23 H LYS 23 -8.607 -0.867 -8.247 182 HA LYS 23 HA LYS 23 -7.818 1.680 -9.291 183 HB2 LYS 23 2HB LYS 23 -7.233 -1.152 -10.262 184 HB3 LYS 23 3HB LYS 23 -6.455 0.298 -10.896 185 HG2 LYS 23 2HG LYS 23 -5.541 0.775 -8.626 186 HG3 LYS 23 3HG LYS 23 -6.286 -0.709 -8.038 187 HD2 LYS 23 2HD LYS 23 -3.997 -1.232 -8.389 188 HD3 LYS 23 3HD LYS 23 -4.860 -1.971 -9.735 189 HE2 LYS 23 2HE LYS 23 -3.366 0.674 -9.874 190 HE3 LYS 23 3HE LYS 23 -2.708 -0.876 -10.382 191 HZ1 LYS 23 3HZ LYS 23 -4.993 0.572 -11.600 192 HZ2 LYS 23 1HZ LYS 23 -4.555 -1.010 -12.013 193 HZ3 LYS 23 2HZ LYS 23 -3.485 0.263 -12.294 194 H HIS 24 H HIS 24 -10.107 -0.780 -10.289 195 HA HIS 24 HA HIS 24 -10.698 0.248 -12.905 196 HB2 HIS 24 2HB HIS 24 -11.186 -2.074 -12.375 197 HB3 HIS 24 3HB HIS 24 -12.200 -1.610 -11.016 198 HD1 HIS 24 HD1 HIS 24 -12.188 -1.222 -14.817 199 HD2 HIS 24 HD2 HIS 24 -14.843 -1.604 -11.638 200 HE1 HIS 24 HE1 HIS 24 -14.467 -1.331 -15.858 201 HE2 HIS 24 HE2 HIS 24 -16.020 -1.746 -13.924 202 H ASN 25 H ASN 25 -12.100 0.643 -9.687 203 HA ASN 25 HA ASN 25 -14.455 2.077 -10.500 204 HB2 ASN 25 2HB ASN 25 -13.979 0.650 -8.321 205 HB3 ASN 25 3HB ASN 25 -13.317 2.137 -7.669 206 HD21 ASN 25 1HD2 ASN 25 -15.477 3.758 -9.156 207 HD22 ASN 25 2HD2 ASN 25 -16.886 3.487 -8.203 208 H TYR 26 H TYR 26 -11.260 2.887 -9.333 209 HA TYR 26 HA TYR 26 -11.736 5.782 -9.753 210 HB2 TYR 26 2HB TYR 26 -9.651 4.473 -7.939 211 HB3 TYR 26 3HB TYR 26 -10.007 6.192 -8.064 212 HD1 TYR 26 HD1 TYR 26 -12.559 6.832 -7.544 213 HD2 TYR 26 HD2 TYR 26 -10.645 3.289 -6.111 214 HE1 TYR 26 HE1 TYR 26 -14.240 6.644 -5.762 215 HE2 TYR 26 HE2 TYR 26 -12.331 3.106 -4.320 216 HH TYR 26 HH TYR 26 -15.211 4.916 -4.307 217 HA PRO 27 HA PRO 27 -9.077 4.028 -13.197 218 HB2 PRO 27 2HB PRO 27 -10.210 6.379 -14.693 219 HB3 PRO 27 3HB PRO 27 -10.168 4.661 -15.151 220 HG2 PRO 27 2HG PRO 27 -12.455 5.783 -14.400 221 HG3 PRO 27 3HG PRO 27 -12.060 4.127 -13.874 222 HD2 PRO 27 2HD PRO 27 -11.810 6.710 -12.320 223 HD3 PRO 27 3HD PRO 27 -12.483 5.145 -11.811 224 H GLY 28 H GLY 28 -9.388 7.440 -12.286 225 HA2 GLY 28 2HA GLY 28 -6.643 8.045 -13.201 226 HA3 GLY 28 3HA GLY 28 -7.905 9.213 -12.823 227 H ARG 29 H ARG 29 -6.878 6.423 -10.871 228 HA ARG 29 HA ARG 29 -5.577 8.235 -8.921 229 HB2 ARG 29 2HB ARG 29 -7.515 5.961 -8.285 230 HB3 ARG 29 3HB ARG 29 -6.458 6.695 -7.082 231 HG2 ARG 29 2HG ARG 29 -8.610 8.145 -8.647 232 HG3 ARG 29 3HG ARG 29 -8.737 7.607 -6.974 233 HD2 ARG 29 2HD ARG 29 -6.981 9.152 -6.294 234 HD3 ARG 29 3HD ARG 29 -6.682 9.605 -7.975 235 HE ARG 29 HE ARG 29 -9.291 10.122 -6.696 236 HH11 ARG 29 1HH1 ARG 29 -6.446 11.354 -8.361 237 HH12 ARG 29 2HH1 ARG 29 -7.100 12.947 -8.554 238 HH21 ARG 29 1HH2 ARG 29 -10.137 12.221 -6.943 239 HH22 ARG 29 2HH2 ARG 29 -9.197 13.439 -7.749 240 H GLU 30 H GLU 30 -3.881 7.288 -7.750 241 HA GLU 30 HA GLU 30 -2.513 5.210 -9.324 242 HB2 GLU 30 2HB GLU 30 -1.602 7.708 -7.887 243 HB3 GLU 30 3HB GLU 30 -0.459 6.392 -8.108 244 HG2 GLU 30 2HG GLU 30 -2.006 7.644 -10.386 245 HG3 GLU 30 3HG GLU 30 -0.390 8.162 -9.896 246 H ILE 31 H ILE 31 -2.466 3.304 -8.484 247 HA ILE 31 HA ILE 31 -2.013 2.843 -5.588 248 HB ILE 31 HB ILE 31 -3.885 1.316 -7.468 249 HG12 ILE 31 2HG1 ILE 31 -4.509 2.903 -4.935 250 HG13 ILE 31 3HG1 ILE 31 -4.856 3.421 -6.578 251 HG21 ILE 31 1HG2 ILE 31 -3.190 0.626 -4.594 252 HG22 ILE 31 2HG2 ILE 31 -2.705 -0.281 -6.025 253 HG23 ILE 31 3HG2 ILE 31 -4.409 -0.184 -5.583 254 HD11 ILE 31 3HD1 ILE 31 -6.428 1.545 -6.818 255 HD12 ILE 31 1HD1 ILE 31 -6.852 2.639 -5.504 256 HD13 ILE 31 2HD1 ILE 31 -6.108 1.084 -5.143 257 H ARG 32 H ARG 32 -0.344 1.397 -5.191 258 HA ARG 32 HA ARG 32 0.903 -0.018 -7.484 259 HB2 ARG 32 2HB ARG 32 2.280 1.328 -5.116 260 HB3 ARG 32 3HB ARG 32 3.108 0.317 -6.296 261 HG2 ARG 32 2HG ARG 32 1.661 2.907 -6.912 262 HG3 ARG 32 3HG ARG 32 3.407 2.724 -6.764 263 HD2 ARG 32 2HD ARG 32 3.477 1.310 -8.740 264 HD3 ARG 32 3HD ARG 32 1.718 1.264 -8.820 265 HE ARG 32 HE ARG 32 1.777 3.671 -9.338 266 HH11 ARG 32 1HH1 ARG 32 4.707 1.804 -9.964 267 HH12 ARG 32 2HH1 ARG 32 5.261 2.903 -11.194 268 HH21 ARG 32 1HH2 ARG 32 2.462 5.019 -10.999 269 HH22 ARG 32 2HH2 ARG 32 3.996 4.714 -11.777 270 H THR 33 H THR 33 2.608 -1.710 -6.409 271 HA THR 33 HA THR 33 1.200 -3.357 -4.423 272 HB THR 33 HB THR 33 1.807 -4.462 -7.217 273 HG1 THR 33 HG1 THR 33 0.110 -2.908 -7.344 274 HG21 THR 33 3HG2 THR 33 1.719 -6.159 -5.429 275 HG22 THR 33 1HG2 THR 33 0.340 -6.322 -6.514 276 HG23 THR 33 2HG2 THR 33 0.129 -5.569 -4.933 277 H ALA 34 H ALA 34 2.847 -3.997 -3.065 278 HA ALA 34 HA ALA 34 5.566 -4.379 -4.086 279 HB1 ALA 34 3HB ALA 34 5.231 -3.221 -1.936 280 HB2 ALA 34 1HB ALA 34 6.217 -4.675 -1.759 281 HB3 ALA 34 2HB ALA 34 4.525 -4.689 -1.261 282 H THR 35 H THR 35 5.761 -6.186 -5.213 283 HA THR 35 HA THR 35 4.692 -8.773 -4.352 284 HB THR 35 HB THR 35 6.362 -7.945 -6.779 285 HG1 THR 35 HG1 THR 35 4.251 -8.493 -7.804 286 HG21 THR 35 3HG2 THR 35 5.795 -10.143 -7.769 287 HG22 THR 35 1HG2 THR 35 5.017 -10.634 -6.264 288 HG23 THR 35 2HG2 THR 35 6.758 -10.350 -6.306 289 H SER 36 H SER 36 7.616 -6.926 -4.158 290 HA SER 36 HA SER 36 9.034 -8.958 -2.658 291 HB2 SER 36 2HB SER 36 9.453 -9.491 -5.120 292 HB3 SER 36 3HB SER 36 10.261 -7.932 -5.267 293 HG SER 36 HG SER 36 11.076 -10.274 -3.979 294 H SER 37 H SER 37 11.454 -7.992 -2.338 295 HA SER 37 HA SER 37 11.048 -5.724 -0.666 296 HB2 SER 37 2HB SER 37 12.625 -7.666 -0.199 297 HB3 SER 37 3HB SER 37 13.743 -6.969 -1.372 298 HG SER 37 HG SER 37 12.717 -5.506 0.820 299 H GLN 38 H GLN 38 12.259 -6.077 -3.910 300 HA GLN 38 HA GLN 38 13.653 -3.658 -4.233 301 HB2 GLN 38 2HB GLN 38 13.783 -5.439 -5.898 302 HB3 GLN 38 3HB GLN 38 12.068 -5.303 -6.253 303 HG2 GLN 38 2HG GLN 38 13.473 -4.317 -8.025 304 HG3 GLN 38 3HG GLN 38 12.409 -3.125 -7.290 305 HE21 GLN 38 1HE2 GLN 38 15.729 -4.242 -7.513 306 HE22 GLN 38 2HE2 GLN 38 16.461 -2.770 -6.982 307 H ASP 39 H ASP 39 10.188 -4.425 -4.512 308 HA ASP 39 HA ASP 39 9.289 -1.924 -5.496 309 HB2 ASP 39 2HB ASP 39 7.781 -3.992 -3.842 310 HB3 ASP 39 3HB ASP 39 7.028 -2.663 -4.715 311 H ILE 40 H ILE 40 9.792 -3.141 -2.230 312 HA ILE 40 HA ILE 40 8.568 -1.211 -0.639 313 HB ILE 40 HB ILE 40 11.121 -2.824 -0.185 314 HG12 ILE 40 2HG1 ILE 40 9.127 -4.228 -0.453 315 HG13 ILE 40 3HG1 ILE 40 9.671 -4.297 1.216 316 HG21 ILE 40 1HG2 ILE 40 10.900 -2.381 2.238 317 HG22 ILE 40 2HG2 ILE 40 9.609 -1.228 1.900 318 HG23 ILE 40 3HG2 ILE 40 11.243 -0.915 1.315 319 HD11 ILE 40 3HD1 ILE 40 7.265 -4.215 1.118 320 HD12 ILE 40 1HD1 ILE 40 7.306 -2.735 0.161 321 HD13 ILE 40 2HD1 ILE 40 7.861 -2.720 1.838 322 H ARG 41 H ARG 41 11.798 -1.163 -2.129 323 HA ARG 41 HA ARG 41 12.470 1.505 -1.189 324 HB2 ARG 41 2HB ARG 41 13.830 -0.571 -2.929 325 HB3 ARG 41 3HB ARG 41 14.472 1.061 -2.844 326 HG2 ARG 41 2HG ARG 41 14.044 -0.672 -0.394 327 HG3 ARG 41 3HG ARG 41 15.560 -0.603 -1.297 328 HD2 ARG 41 2HD ARG 41 14.207 1.737 0.097 329 HD3 ARG 41 3HD ARG 41 15.658 0.886 0.635 330 HE ARG 41 HE ARG 41 15.966 1.903 -2.010 331 HH11 ARG 41 1HH1 ARG 41 16.097 2.954 1.354 332 HH12 ARG 41 2HH1 ARG 41 17.164 4.272 1.006 333 HH21 ARG 41 1HH2 ARG 41 17.350 3.645 -2.425 334 HH22 ARG 41 2HH2 ARG 41 17.869 4.662 -1.116 335 H ASP 42 H ASP 42 11.373 0.042 -4.219 336 HA ASP 42 HA ASP 42 12.162 2.161 -5.960 337 HB2 ASP 42 2HB ASP 42 11.971 -0.189 -6.732 338 HB3 ASP 42 3HB ASP 42 10.236 -0.171 -6.444 339 H ILE 43 H ILE 43 9.079 1.197 -4.525 340 HA ILE 43 HA ILE 43 7.397 3.033 -5.869 341 HB ILE 43 HB ILE 43 7.033 1.566 -3.211 342 HG12 ILE 43 2HG1 ILE 43 5.787 1.006 -5.954 343 HG13 ILE 43 3HG1 ILE 43 7.177 0.145 -5.305 344 HG21 ILE 43 1HG2 ILE 43 4.964 3.168 -4.756 345 HG22 ILE 43 2HG2 ILE 43 5.616 3.560 -3.163 346 HG23 ILE 43 3HG2 ILE 43 4.620 2.123 -3.378 347 HD11 ILE 43 3HD1 ILE 43 5.149 -1.148 -5.053 348 HD12 ILE 43 1HD1 ILE 43 4.403 0.154 -4.123 349 HD13 ILE 43 2HD1 ILE 43 5.806 -0.705 -3.476 350 H ILE 44 H ILE 44 9.037 3.202 -2.679 351 HA ILE 44 HA ILE 44 8.131 5.782 -1.930 352 HB ILE 44 HB ILE 44 10.615 4.230 -1.057 353 HG12 ILE 44 2HG1 ILE 44 7.862 4.564 0.235 354 HG13 ILE 44 3HG1 ILE 44 8.475 3.102 -0.527 355 HG21 ILE 44 1HG2 ILE 44 9.419 6.710 0.245 356 HG22 ILE 44 2HG2 ILE 44 10.967 6.632 -0.597 357 HG23 ILE 44 3HG2 ILE 44 10.737 5.737 0.905 358 HD11 ILE 44 3HD1 ILE 44 8.548 2.909 1.866 359 HD12 ILE 44 1HD1 ILE 44 9.529 4.370 1.994 360 HD13 ILE 44 2HD1 ILE 44 10.187 2.927 1.218 361 H LYS 45 H LYS 45 11.033 4.688 -3.681 362 HA LYS 45 HA LYS 45 12.358 7.106 -4.147 363 HB2 LYS 45 2HB LYS 45 13.387 4.982 -4.691 364 HB3 LYS 45 3HB LYS 45 12.125 4.597 -5.852 365 HG2 LYS 45 2HG LYS 45 12.965 6.183 -7.441 366 HG3 LYS 45 3HG LYS 45 13.993 6.949 -6.230 367 HD2 LYS 45 2HD LYS 45 15.318 5.574 -7.783 368 HD3 LYS 45 3HD LYS 45 15.423 4.970 -6.133 369 HE2 LYS 45 2HE LYS 45 15.223 3.081 -7.608 370 HE3 LYS 45 3HE LYS 45 13.700 3.229 -6.736 371 HZ1 LYS 45 3HZ LYS 45 13.231 2.788 -9.014 372 HZ2 LYS 45 1HZ LYS 45 14.258 4.028 -9.539 373 HZ3 LYS 45 2HZ LYS 45 12.827 4.406 -8.733 374 H SER 46 H SER 46 9.616 5.673 -5.816 375 HA SER 46 HA SER 46 9.414 7.623 -7.915 376 HB2 SER 46 2HB SER 46 8.652 5.223 -8.073 377 HB3 SER 46 3HB SER 46 7.317 5.613 -6.984 378 HG SER 46 HG SER 46 7.776 6.345 -9.638 379 H MET 47 H MET 47 7.998 7.204 -4.709 380 HA MET 47 HA MET 47 5.805 8.987 -4.939 381 HB2 MET 47 2HB MET 47 7.300 8.039 -2.454 382 HB3 MET 47 3HB MET 47 5.869 9.055 -2.394 383 HG2 MET 47 2HG MET 47 4.642 7.239 -3.625 384 HG3 MET 47 3HG MET 47 6.057 6.218 -3.373 385 HE1 MET 47 3HE MET 47 4.514 8.963 -0.947 386 HE2 MET 47 1HE MET 47 3.436 7.945 0.008 387 HE3 MET 47 2HE MET 47 3.122 8.187 -1.708 388 H LYS 48 H LYS 48 9.062 9.413 -3.578 389 HA LYS 48 HA LYS 48 8.749 12.006 -2.536 390 HB2 LYS 48 2HB LYS 48 11.310 10.643 -3.478 391 HB3 LYS 48 3HB LYS 48 11.224 12.033 -2.396 392 HG2 LYS 48 2HG LYS 48 10.139 10.708 -0.683 393 HG3 LYS 48 3HG LYS 48 10.042 9.316 -1.763 394 HD2 LYS 48 2HD LYS 48 12.622 10.591 -0.786 395 HD3 LYS 48 3HD LYS 48 11.896 9.131 -0.119 396 HE2 LYS 48 2HE LYS 48 12.245 7.945 -2.223 397 HE3 LYS 48 3HE LYS 48 12.845 9.420 -2.990 398 HZ1 LYS 48 3HZ LYS 48 14.658 7.963 -2.302 399 HZ2 LYS 48 1HZ LYS 48 14.130 8.024 -0.698 400 HZ3 LYS 48 2HZ LYS 48 14.715 9.420 -1.447 401 H ASP 49 H ASP 49 9.970 10.908 -5.650 402 HA ASP 49 HA ASP 49 11.057 13.277 -6.675 403 HB2 ASP 49 2HB ASP 49 11.550 11.109 -7.666 404 HB3 ASP 49 3HB ASP 49 9.859 10.845 -8.068 405 H ASN 50 H ASN 50 7.762 12.083 -6.692 406 HA ASN 50 HA ASN 50 6.792 14.343 -8.340 407 HB2 ASN 50 2HB ASN 50 6.337 11.806 -8.834 408 HB3 ASN 50 3HB ASN 50 5.165 11.899 -7.535 409 HD21 ASN 50 1HD2 ASN 50 4.183 14.616 -8.263 410 HD22 ASN 50 2HD2 ASN 50 3.307 14.404 -9.725 411 H GLY 51 H GLY 51 6.951 13.212 -5.105 412 HA2 GLY 51 2HA GLY 51 5.950 13.759 -3.121 413 HA3 GLY 51 3HA GLY 51 5.355 15.218 -3.892 414 H LYS 52 H LYS 52 4.625 11.884 -4.858 415 HA LYS 52 HA LYS 52 1.793 12.652 -5.043 416 HB2 LYS 52 2HB LYS 52 1.577 10.766 -6.600 417 HB3 LYS 52 3HB LYS 52 2.897 11.824 -7.078 418 HG2 LYS 52 2HG LYS 52 4.537 10.221 -6.128 419 HG3 LYS 52 3HG LYS 52 3.217 9.153 -5.652 420 HD2 LYS 52 2HD LYS 52 3.874 9.955 -8.516 421 HD3 LYS 52 3HD LYS 52 4.315 8.424 -7.762 422 HE2 LYS 52 2HE LYS 52 1.998 7.776 -7.562 423 HE3 LYS 52 3HE LYS 52 1.450 9.371 -8.077 424 HZ1 LYS 52 3HZ LYS 52 2.460 8.940 -10.261 425 HZ2 LYS 52 1HZ LYS 52 1.281 7.798 -9.880 426 HZ3 LYS 52 2HZ LYS 52 2.903 7.394 -9.753 427 HA PRO 53 HA PRO 53 0.627 9.497 -1.955 428 HB2 PRO 53 2HB PRO 53 -2.054 9.464 -2.264 429 HB3 PRO 53 3HB PRO 53 -1.228 10.905 -1.638 430 HG2 PRO 53 2HG PRO 53 -2.326 10.404 -4.373 431 HG3 PRO 53 3HG PRO 53 -2.336 11.894 -3.406 432 HD2 PRO 53 2HD PRO 53 -0.494 11.300 -5.450 433 HD3 PRO 53 3HD PRO 53 -0.287 12.551 -4.205 434 H LEU 54 H LEU 54 0.330 7.257 -1.891 435 HA LEU 54 HA LEU 54 -0.644 5.796 -4.271 436 HB2 LEU 54 2HB LEU 54 2.117 5.452 -3.023 437 HB3 LEU 54 3HB LEU 54 1.371 4.166 -3.956 438 HG LEU 54 HG LEU 54 2.024 6.935 -5.054 439 HD11 LEU 54 1HD1 LEU 54 3.825 5.883 -6.307 440 HD12 LEU 54 2HD1 LEU 54 3.470 4.318 -5.571 441 HD13 LEU 54 3HD1 LEU 54 4.070 5.645 -4.580 442 HD21 LEU 54 3HD2 LEU 54 1.529 5.920 -7.256 443 HD22 LEU 54 1HD2 LEU 54 0.124 5.962 -6.194 444 HD23 LEU 54 2HD2 LEU 54 0.990 4.446 -6.442 445 H VAL 55 H VAL 55 -1.395 3.662 -3.830 446 HA VAL 55 HA VAL 55 -1.672 2.912 -0.959 447 HB VAL 55 HB VAL 55 -3.406 1.956 -3.307 448 HG11 VAL 55 1HG1 VAL 55 -3.342 0.369 -1.443 449 HG12 VAL 55 2HG1 VAL 55 -4.933 1.117 -1.567 450 HG13 VAL 55 3HG1 VAL 55 -3.812 1.642 -0.311 451 HG21 VAL 55 3HG2 VAL 55 -5.197 3.425 -2.477 452 HG22 VAL 55 1HG2 VAL 55 -3.783 4.356 -2.976 453 HG23 VAL 55 2HG2 VAL 55 -4.102 4.091 -1.261 454 H VAL 56 H VAL 56 0.085 1.555 -0.583 455 HA VAL 56 HA VAL 56 0.957 -0.337 -2.658 456 HB VAL 56 HB VAL 56 2.166 0.267 0.087 457 HG11 VAL 56 1HG1 VAL 56 4.154 -1.002 -0.679 458 HG12 VAL 56 2HG1 VAL 56 3.303 -1.463 -2.154 459 HG13 VAL 56 3HG1 VAL 56 2.727 -2.037 -0.587 460 HG21 VAL 56 3HG2 VAL 56 3.897 1.473 -1.147 461 HG22 VAL 56 1HG2 VAL 56 2.308 2.142 -1.515 462 HG23 VAL 56 2HG2 VAL 56 3.110 1.087 -2.681 463 H PHE 57 H PHE 57 -0.651 -1.918 -2.728 464 HA PHE 57 HA PHE 57 -1.295 -3.595 -0.466 465 HB2 PHE 57 2HB PHE 57 -1.524 -3.994 -3.485 466 HB3 PHE 57 3HB PHE 57 -2.003 -5.221 -2.329 467 HD1 PHE 57 HD1 PHE 57 -2.768 -1.741 -3.467 468 HD2 PHE 57 HD2 PHE 57 -4.176 -5.188 -1.359 469 HE1 PHE 57 HE1 PHE 57 -5.036 -0.783 -3.394 470 HE2 PHE 57 HE2 PHE 57 -6.436 -4.217 -1.288 471 HZ PHE 57 HZ PHE 57 -6.869 -2.014 -2.303 472 H VAL 58 H VAL 58 0.430 -4.619 0.530 473 HA VAL 58 HA VAL 58 2.627 -5.750 -1.025 474 HB VAL 58 HB VAL 58 3.625 -6.449 1.110 475 HG11 VAL 58 1HG1 VAL 58 4.040 -4.159 0.369 476 HG12 VAL 58 2HG1 VAL 58 3.994 -4.218 2.126 477 HG13 VAL 58 3HG1 VAL 58 2.611 -3.584 1.226 478 HG21 VAL 58 3HG2 VAL 58 1.138 -5.376 2.490 479 HG22 VAL 58 1HG2 VAL 58 2.620 -5.890 3.305 480 HG23 VAL 58 2HG2 VAL 58 1.648 -7.061 2.416 481 H ASN 59 H ASN 59 2.370 -7.615 -2.048 482 HA ASN 59 HA ASN 59 0.250 -9.468 -1.558 483 HB2 ASN 59 2HB ASN 59 2.679 -9.674 -3.379 484 HB3 ASN 59 3HB ASN 59 1.399 -10.877 -3.338 485 HD21 ASN 59 1HD2 ASN 59 2.279 -9.348 -5.584 486 HD22 ASN 59 2HD2 ASN 59 0.919 -8.441 -6.133 487 H GLY 60 H GLY 60 0.685 -9.912 0.698 488 HA2 GLY 60 2HA GLY 60 1.426 -11.177 2.449 489 HA3 GLY 60 3HA GLY 60 1.760 -12.414 1.247 490 H ALA 61 H ALA 61 3.287 -9.226 1.604 491 HA ALA 61 HA ALA 61 5.948 -10.251 1.417 492 HB1 ALA 61 3HB ALA 61 5.009 -7.489 2.281 493 HB2 ALA 61 1HB ALA 61 5.346 -7.993 0.623 494 HB3 ALA 61 2HB ALA 61 6.654 -7.920 1.805 495 H SER 62 H SER 62 7.642 -10.076 3.074 496 HA SER 62 HA SER 62 6.848 -11.242 5.566 497 HB2 SER 62 2HB SER 62 9.581 -10.126 4.778 498 HB3 SER 62 3HB SER 62 9.252 -11.310 6.044 499 HG SER 62 HG SER 62 9.436 -11.633 3.310 500 H GLN 63 H GLN 63 7.389 -10.376 7.708 501 HA GLN 63 HA GLN 63 6.496 -7.741 8.203 502 HB2 GLN 63 2HB GLN 63 6.294 -9.571 9.886 503 HB3 GLN 63 3HB GLN 63 8.045 -9.602 10.068 504 HG2 GLN 63 2HG GLN 63 6.964 -8.396 11.929 505 HG3 GLN 63 3HG GLN 63 8.019 -7.328 11.003 506 HE21 GLN 63 1HE2 GLN 63 6.988 -5.441 11.575 507 HE22 GLN 63 2HE2 GLN 63 5.387 -5.039 11.072 508 H ASN 64 H ASN 64 9.681 -9.116 7.669 509 HA ASN 64 HA ASN 64 11.287 -6.937 8.361 510 HB2 ASN 64 2HB ASN 64 11.659 -9.021 6.164 511 HB3 ASN 64 3HB ASN 64 12.884 -7.819 6.567 512 HD21 ASN 64 1HD2 ASN 64 13.986 -7.980 8.554 513 HD22 ASN 64 2HD2 ASN 64 13.975 -9.431 9.494 514 H ASP 65 H ASP 65 9.616 -7.632 5.253 515 HA ASP 65 HA ASP 65 10.453 -5.318 3.856 516 HB2 ASP 65 2HB ASP 65 7.883 -6.928 3.478 517 HB3 ASP 65 3HB ASP 65 8.513 -5.744 2.333 518 H VAL 66 H VAL 66 7.679 -5.896 5.949 519 HA VAL 66 HA VAL 66 6.258 -3.491 5.593 520 HB VAL 66 HB VAL 66 6.449 -5.322 8.040 521 HG11 VAL 66 1HG1 VAL 66 4.317 -4.322 8.800 522 HG12 VAL 66 2HG1 VAL 66 4.384 -3.160 7.472 523 HG13 VAL 66 3HG1 VAL 66 5.610 -3.119 8.741 524 HG21 VAL 66 3HG2 VAL 66 4.390 -5.207 5.802 525 HG22 VAL 66 1HG2 VAL 66 4.336 -6.295 7.193 526 HG23 VAL 66 2HG2 VAL 66 5.631 -6.445 6.003 527 H ASN 67 H ASN 67 8.713 -4.411 8.003 528 HA ASN 67 HA ASN 67 8.800 -1.925 9.374 529 HB2 ASN 67 2HB ASN 67 10.792 -4.233 9.311 530 HB3 ASN 67 3HB ASN 67 10.940 -2.843 10.388 531 HD21 ASN 67 1HD2 ASN 67 10.631 -5.636 11.065 532 HD22 ASN 67 2HD2 ASN 67 9.203 -5.762 12.022 533 H GLU 68 H GLU 68 10.720 -3.300 6.731 534 HA GLU 68 HA GLU 68 12.644 -1.243 6.518 535 HB2 GLU 68 2HB GLU 68 11.598 -3.251 4.472 536 HB3 GLU 68 3HB GLU 68 12.875 -2.101 4.093 537 HG2 GLU 68 2HG GLU 68 12.992 -4.213 6.256 538 HG3 GLU 68 3HG GLU 68 13.775 -4.309 4.683 539 H PHE 69 H PHE 69 9.452 -1.685 5.016 540 HA PHE 69 HA PHE 69 9.488 0.526 3.276 541 HB2 PHE 69 2HB PHE 69 7.799 -1.356 3.254 542 HB3 PHE 69 3HB PHE 69 7.042 -0.661 4.683 543 HD1 PHE 69 HD2 PHE 69 7.653 -0.222 1.058 544 HD2 PHE 69 HD1 PHE 69 5.640 1.334 4.499 545 HE1 PHE 69 HE2 PHE 69 6.262 1.203 -0.391 546 HE2 PHE 69 HE1 PHE 69 4.259 2.751 3.045 547 HZ PHE 69 HZ PHE 69 4.566 2.686 0.603 548 H GLN 70 H GLN 70 8.445 0.182 6.625 549 HA GLN 70 HA GLN 70 7.559 2.840 7.074 550 HB2 GLN 70 2HB GLN 70 8.518 0.707 9.028 551 HB3 GLN 70 3HB GLN 70 7.695 2.196 9.492 552 HG2 GLN 70 2HG GLN 70 5.696 1.504 8.237 553 HG3 GLN 70 3HG GLN 70 6.516 0.026 7.736 554 HE21 GLN 70 1HE2 GLN 70 6.865 -1.624 9.289 555 HE22 GLN 70 2HE2 GLN 70 5.993 -1.661 10.779 556 H ASN 71 H ASN 71 10.723 1.289 7.297 557 HA ASN 71 HA ASN 71 12.103 3.377 8.697 558 HB2 ASN 71 2HB ASN 71 13.092 1.040 7.005 559 HB3 ASN 71 3HB ASN 71 14.194 2.168 7.788 560 HD21 ASN 71 1HD2 ASN 71 13.680 -0.742 8.132 561 HD22 ASN 71 2HD2 ASN 71 13.449 -0.943 9.831 562 H GLU 72 H GLU 72 11.886 2.435 5.272 563 HA GLU 72 HA GLU 72 13.646 4.495 4.343 564 HB2 GLU 72 2HB GLU 72 11.713 2.856 2.656 565 HB3 GLU 72 3HB GLU 72 13.128 3.729 2.090 566 HG2 GLU 72 2HG GLU 72 12.995 1.145 3.625 567 HG3 GLU 72 3HG GLU 72 13.780 1.474 2.094 568 H ALA 73 H ALA 73 10.232 4.261 4.923 569 HA ALA 73 HA ALA 73 9.470 6.614 3.469 570 HB1 ALA 73 3HB ALA 73 8.060 5.187 5.746 571 HB2 ALA 73 1HB ALA 73 7.842 4.861 4.025 572 HB3 ALA 73 2HB ALA 73 7.348 6.417 4.697 573 H LYS 74 H LYS 74 10.101 5.938 6.962 574 HA LYS 74 HA LYS 74 9.498 8.583 7.798 575 HB2 LYS 74 2HB LYS 74 10.278 7.982 9.998 576 HB3 LYS 74 3HB LYS 74 9.380 6.630 9.325 577 HG2 LYS 74 2HG LYS 74 11.494 5.469 8.813 578 HG3 LYS 74 3HG LYS 74 12.406 6.825 9.481 579 HD2 LYS 74 2HD LYS 74 11.444 6.415 11.709 580 HD3 LYS 74 3HD LYS 74 10.432 5.121 11.058 581 HE2 LYS 74 2HE LYS 74 12.496 3.852 10.461 582 HE3 LYS 74 3HE LYS 74 13.467 5.124 11.207 583 HZ1 LYS 74 3HZ LYS 74 12.469 4.650 13.321 584 HZ2 LYS 74 1HZ LYS 74 13.061 3.207 12.671 585 HZ3 LYS 74 2HZ LYS 74 11.405 3.533 12.632 586 H LYS 75 H LYS 75 12.590 7.080 6.908 587 HA LYS 75 HA LYS 75 14.269 9.175 7.913 588 HB2 LYS 75 2HB LYS 75 16.104 8.078 6.724 589 HB3 LYS 75 3HB LYS 75 15.099 6.859 7.497 590 HG2 LYS 75 2HG LYS 75 14.014 6.366 5.330 591 HG3 LYS 75 3HG LYS 75 15.009 7.607 4.566 592 HD2 LYS 75 2HD LYS 75 15.885 5.338 4.134 593 HD3 LYS 75 3HD LYS 75 17.041 6.328 5.023 594 HE2 LYS 75 2HE LYS 75 16.495 5.173 7.102 595 HE3 LYS 75 3HE LYS 75 15.205 4.270 6.297 596 HZ1 LYS 75 3HZ LYS 75 18.059 4.095 5.488 597 HZ2 LYS 75 1HZ LYS 75 16.783 3.099 4.998 598 HZ3 LYS 75 2HZ LYS 75 17.341 3.043 6.594 599 H GLU 76 H GLU 76 12.422 8.795 5.026 600 HA GLU 76 HA GLU 76 13.732 11.046 3.633 601 HB2 GLU 76 2HB GLU 76 11.666 9.023 2.664 602 HB3 GLU 76 3HB GLU 76 12.430 10.254 1.668 603 HG2 GLU 76 2HG GLU 76 13.822 7.906 2.983 604 HG3 GLU 76 3HG GLU 76 13.439 8.064 1.272 605 H GLY 77 H GLY 77 11.214 10.538 5.761 606 HA2 GLY 77 2HA GLY 77 9.671 12.028 6.601 607 HA3 GLY 77 3HA GLY 77 10.080 13.156 5.323 608 H VAL 78 H VAL 78 9.308 10.089 4.101 609 HA VAL 78 HA VAL 78 6.830 10.930 2.920 610 HB VAL 78 HB VAL 78 8.074 8.134 3.013 611 HG11 VAL 78 1HG1 VAL 78 5.904 9.215 1.176 612 HG12 VAL 78 2HG1 VAL 78 5.687 8.022 2.459 613 HG13 VAL 78 3HG1 VAL 78 6.666 7.626 1.048 614 HG21 VAL 78 3HG2 VAL 78 9.598 9.740 1.966 615 HG22 VAL 78 1HG2 VAL 78 8.322 10.266 0.865 616 HG23 VAL 78 2HG2 VAL 78 8.954 8.620 0.764 617 H SER 79 H SER 79 5.038 11.098 4.129 618 HA SER 79 HA SER 79 4.566 9.792 6.603 619 HB2 SER 79 2HB SER 79 2.607 11.224 4.752 620 HB3 SER 79 3HB SER 79 2.315 10.828 6.448 621 HG SER 79 HG SER 79 4.055 12.177 7.003 622 H TYR 80 H TYR 80 3.741 7.787 6.994 623 HA TYR 80 HA TYR 80 2.320 6.339 4.829 624 HB2 TYR 80 2HB TYR 80 3.390 4.238 5.588 625 HB3 TYR 80 3HB TYR 80 4.577 5.404 5.029 626 HD1 TYR 80 HD2 TYR 80 6.130 6.492 6.643 627 HD2 TYR 80 HD1 TYR 80 3.364 3.506 7.953 628 HE1 TYR 80 HE2 TYR 80 7.410 6.216 8.723 629 HE2 TYR 80 HE1 TYR 80 4.650 3.235 10.033 630 HH TYR 80 HH TYR 80 6.993 5.405 11.064 631 H ASP 81 H ASP 81 0.852 4.710 5.520 632 HA ASP 81 HA ASP 81 -0.023 4.724 8.340 633 HB2 ASP 81 2HB ASP 81 -1.537 6.270 7.177 634 HB3 ASP 81 3HB ASP 81 -1.841 5.083 5.915 635 H VAL 82 H VAL 82 -0.109 2.713 9.027 636 HA VAL 82 HA VAL 82 0.158 0.473 7.150 637 HB VAL 82 HB VAL 82 0.409 0.463 10.214 638 HG11 VAL 82 1HG1 VAL 82 -0.194 -1.757 9.329 639 HG12 VAL 82 2HG1 VAL 82 1.467 -1.755 9.924 640 HG13 VAL 82 3HG1 VAL 82 1.153 -1.685 8.189 641 HG21 VAL 82 3HG2 VAL 82 2.857 0.367 9.839 642 HG22 VAL 82 1HG2 VAL 82 2.168 1.848 9.166 643 HG23 VAL 82 2HG2 VAL 82 2.604 0.513 8.097 644 H LEU 83 H LEU 83 -1.382 -1.025 6.855 645 HA LEU 83 HA LEU 83 -3.944 -0.861 8.332 646 HB2 LEU 83 2HB LEU 83 -4.184 0.317 6.189 647 HB3 LEU 83 3HB LEU 83 -3.487 -1.042 5.321 648 HG LEU 83 HG LEU 83 -5.494 -2.423 5.918 649 HD11 LEU 83 1HD1 LEU 83 -7.510 -1.369 6.825 650 HD12 LEU 83 2HD1 LEU 83 -6.624 0.136 7.083 651 HD13 LEU 83 3HD1 LEU 83 -6.184 -1.317 7.985 652 HD21 LEU 83 3HD2 LEU 83 -5.380 -1.278 3.763 653 HD22 LEU 83 1HD2 LEU 83 -6.103 0.172 4.466 654 HD23 LEU 83 2HD2 LEU 83 -7.040 -1.320 4.350 655 H LYS 84 H LYS 84 -3.871 -2.737 9.442 656 HA LYS 84 HA LYS 84 -2.935 -5.223 8.134 657 HB2 LYS 84 2HB LYS 84 -2.115 -4.312 10.501 658 HB3 LYS 84 3HB LYS 84 -3.619 -5.007 11.084 659 HG2 LYS 84 2HG LYS 84 -1.997 -6.697 11.427 660 HG3 LYS 84 3HG LYS 84 -2.858 -7.200 9.969 661 HD2 LYS 84 2HD LYS 84 -0.433 -7.504 9.709 662 HD3 LYS 84 3HD LYS 84 -1.042 -6.298 8.571 663 HE2 LYS 84 2HE LYS 84 1.091 -5.595 9.580 664 HE3 LYS 84 3HE LYS 84 -0.209 -4.491 10.020 665 HZ1 LYS 84 3HZ LYS 84 -0.328 -5.489 12.177 666 HZ2 LYS 84 1HZ LYS 84 1.282 -5.085 11.876 667 HZ3 LYS 84 2HZ LYS 84 0.776 -6.691 11.753 668 H SER 85 H SER 85 -4.635 -6.124 7.049 669 HA SER 85 HA SER 85 -6.998 -6.991 8.484 670 HB2 SER 85 2HB SER 85 -7.606 -4.628 7.927 671 HB3 SER 85 3HB SER 85 -7.330 -4.962 6.223 672 HG SER 85 HG SER 85 -9.573 -5.176 7.412 673 H THR 86 H THR 86 -8.429 -8.304 7.075 674 HA THR 86 HA THR 86 -7.408 -9.024 4.394 675 HB THR 86 HB THR 86 -8.001 -11.466 4.853 676 HG1 THR 86 HG1 THR 86 -9.223 -10.984 6.796 677 HG21 THR 86 3HG2 THR 86 -5.727 -10.392 6.565 678 HG22 THR 86 1HG2 THR 86 -5.623 -10.755 4.842 679 HG23 THR 86 2HG2 THR 86 -5.907 -12.054 6.001 680 H ASP 87 H ASP 87 -9.693 -7.500 5.812 681 HA ASP 87 HA ASP 87 -12.100 -8.912 4.923 682 HB2 ASP 87 2HB ASP 87 -11.786 -6.145 6.192 683 HB3 ASP 87 3HB ASP 87 -13.309 -6.996 5.923 684 HA PRO 88 HA PRO 88 -11.515 -6.994 0.778 685 HB2 PRO 88 2HB PRO 88 -14.385 -7.889 0.505 686 HB3 PRO 88 3HB PRO 88 -13.008 -8.157 -0.588 687 HG2 PRO 88 2HG PRO 88 -13.913 -10.118 0.971 688 HG3 PRO 88 3HG PRO 88 -12.179 -9.931 0.636 689 HD2 PRO 88 2HD PRO 88 -13.700 -9.285 3.137 690 HD3 PRO 88 3HD PRO 88 -12.035 -9.879 2.940 691 H GLU 89 H GLU 89 -14.556 -6.652 2.565 692 HA GLU 89 HA GLU 89 -15.475 -4.247 1.503 693 HB2 GLU 89 2HB GLU 89 -16.844 -4.075 3.615 694 HB3 GLU 89 3HB GLU 89 -16.955 -5.623 2.786 695 HG2 GLU 89 2HG GLU 89 -15.341 -6.592 4.406 696 HG3 GLU 89 3HG GLU 89 -15.305 -5.058 5.271 697 H GLU 90 H GLU 90 -13.297 -4.739 4.317 698 HA GLU 90 HA GLU 90 -13.240 -1.970 5.045 699 HB2 GLU 90 2HB GLU 90 -12.748 -3.770 6.699 700 HB3 GLU 90 3HB GLU 90 -11.252 -4.143 5.843 701 HG2 GLU 90 2HG GLU 90 -10.319 -1.972 6.392 702 HG3 GLU 90 3HG GLU 90 -11.861 -1.415 7.036 703 H LEU 91 H LEU 91 -10.997 -4.088 3.212 704 HA LEU 91 HA LEU 91 -8.967 -2.161 2.848 705 HB2 LEU 91 2HB LEU 91 -9.642 -4.542 1.070 706 HB3 LEU 91 3HB LEU 91 -8.148 -3.623 1.002 707 HG LEU 91 HG LEU 91 -9.076 -5.440 3.261 708 HD11 LEU 91 1HD1 LEU 91 -6.636 -5.597 1.459 709 HD12 LEU 91 2HD1 LEU 91 -8.097 -6.574 1.304 710 HD13 LEU 91 3HD1 LEU 91 -7.079 -6.740 2.732 711 HD21 LEU 91 3HD2 LEU 91 -8.034 -3.512 4.303 712 HD22 LEU 91 1HD2 LEU 91 -6.639 -3.634 3.228 713 HD23 LEU 91 2HD2 LEU 91 -6.959 -4.901 4.414 714 H THR 92 H THR 92 -11.872 -2.861 0.930 715 HA THR 92 HA THR 92 -11.326 -1.195 -1.303 716 HB THR 92 HB THR 92 -14.013 -2.122 -0.178 717 HG1 THR 92 HG1 THR 92 -12.283 -3.652 -1.040 718 HG21 THR 92 3HG2 THR 92 -14.940 -1.682 -2.441 719 HG22 THR 92 1HG2 THR 92 -13.394 -0.980 -2.936 720 HG23 THR 92 2HG2 THR 92 -14.365 -0.191 -1.694 721 H GLN 93 H GLN 93 -13.198 -0.585 1.718 722 HA GLN 93 HA GLN 93 -13.878 2.098 1.014 723 HB2 GLN 93 2HB GLN 93 -14.789 2.343 3.217 724 HB3 GLN 93 3HB GLN 93 -15.155 0.711 2.682 725 HG2 GLN 93 2HG GLN 93 -13.314 -0.157 4.065 726 HG3 GLN 93 3HG GLN 93 -12.941 1.473 4.600 727 HE21 GLN 93 1HE2 GLN 93 -15.761 2.251 4.941 728 HE22 GLN 93 2HE2 GLN 93 -16.297 1.434 6.364 729 H ARG 94 H ARG 94 -11.100 0.659 2.648 730 HA ARG 94 HA ARG 94 -10.046 3.067 3.771 731 HB2 ARG 94 2HB ARG 94 -8.729 0.402 3.121 732 HB3 ARG 94 3HB ARG 94 -7.881 1.721 3.916 733 HG2 ARG 94 2HG ARG 94 -10.348 0.343 5.007 734 HG3 ARG 94 3HG ARG 94 -8.696 -0.013 5.492 735 HD2 ARG 94 2HD ARG 94 -8.488 2.342 6.309 736 HD3 ARG 94 3HD ARG 94 -10.191 2.595 5.920 737 HE ARG 94 HE ARG 94 -10.664 0.751 7.541 738 HH11 ARG 94 1HH1 ARG 94 -7.748 2.695 7.902 739 HH12 ARG 94 2HH1 ARG 94 -7.631 2.416 9.614 740 HH21 ARG 94 1HH2 ARG 94 -10.505 0.381 9.762 741 HH22 ARG 94 2HH2 ARG 94 -9.209 1.095 10.670 742 H VAL 95 H VAL 95 -9.751 1.582 0.575 743 HA VAL 95 HA VAL 95 -7.627 3.157 -0.430 744 HB VAL 95 HB VAL 95 -9.993 1.916 -1.916 745 HG11 VAL 95 1HG1 VAL 95 -8.693 2.234 -4.008 746 HG12 VAL 95 2HG1 VAL 95 -7.476 3.147 -3.113 747 HG13 VAL 95 3HG1 VAL 95 -9.119 3.776 -3.263 748 HG21 VAL 95 3HG2 VAL 95 -8.357 0.185 -2.605 749 HG22 VAL 95 1HG2 VAL 95 -8.520 0.262 -0.850 750 HG23 VAL 95 2HG2 VAL 95 -7.111 0.975 -1.635 751 H ARG 96 H ARG 96 -11.197 3.714 -0.510 752 HA ARG 96 HA ARG 96 -10.926 6.269 -1.789 753 HB2 ARG 96 2HB ARG 96 -13.321 6.565 -1.483 754 HB3 ARG 96 3HB ARG 96 -12.983 4.940 -2.060 755 HG2 ARG 96 2HG ARG 96 -13.365 4.013 0.152 756 HG3 ARG 96 3HG ARG 96 -13.571 5.631 0.834 757 HD2 ARG 96 2HD ARG 96 -15.742 4.639 0.554 758 HD3 ARG 96 3HD ARG 96 -15.583 5.922 -0.642 759 HE ARG 96 HE ARG 96 -14.897 3.894 -2.156 760 HH11 ARG 96 1HH1 ARG 96 -17.516 3.963 0.216 761 HH12 ARG 96 2HH1 ARG 96 -18.463 2.780 -0.629 762 HH21 ARG 96 1HH2 ARG 96 -16.154 2.287 -3.215 763 HH22 ARG 96 2HH2 ARG 96 -17.695 1.840 -2.554 764 H GLU 97 H GLU 97 -11.050 5.250 1.600 765 HA GLU 97 HA GLU 97 -11.280 7.870 2.723 766 HB2 GLU 97 2HB GLU 97 -10.008 5.381 3.940 767 HB3 GLU 97 3HB GLU 97 -10.363 6.865 4.813 768 HG2 GLU 97 2HG GLU 97 -12.310 4.881 3.661 769 HG3 GLU 97 3HG GLU 97 -12.083 5.313 5.344 770 H PHE 98 H PHE 98 -8.594 5.911 1.565 771 HA PHE 98 HA PHE 98 -6.485 7.602 2.414 772 HB2 PHE 98 2HB PHE 98 -5.951 5.326 1.685 773 HB3 PHE 98 3HB PHE 98 -6.600 5.635 0.073 774 HD1 PHE 98 HD1 PHE 98 -3.905 6.633 2.448 775 HD2 PHE 98 HD2 PHE 98 -5.206 6.598 -1.623 776 HE1 PHE 98 HE1 PHE 98 -1.723 7.488 1.731 777 HE2 PHE 98 HE2 PHE 98 -3.013 7.446 -2.330 778 HZ PHE 98 HZ PHE 98 -1.276 7.895 -0.649 779 H LEU 99 H LEU 99 -8.383 7.412 -0.585 780 HA LEU 99 HA LEU 99 -7.051 9.501 -1.977 781 HB2 LEU 99 2HB LEU 99 -9.867 8.427 -2.382 782 HB3 LEU 99 3HB LEU 99 -8.952 9.368 -3.549 783 HG LEU 99 HG LEU 99 -8.244 6.565 -2.602 784 HD11 LEU 99 1HD1 LEU 99 -10.235 6.555 -4.000 785 HD12 LEU 99 2HD1 LEU 99 -8.878 5.824 -4.852 786 HD13 LEU 99 3HD1 LEU 99 -9.389 7.465 -5.255 787 HD21 LEU 99 3HD2 LEU 99 -6.522 6.572 -4.364 788 HD22 LEU 99 1HD2 LEU 99 -6.215 7.801 -3.137 789 HD23 LEU 99 2HD2 LEU 99 -6.880 8.267 -4.704 790 H LYS 100 H LYS 100 -9.581 9.463 0.393 791 HA LYS 100 HA LYS 100 -10.560 12.141 0.007 792 HB2 LYS 100 2HB LYS 100 -11.900 10.298 1.019 793 HB3 LYS 100 3HB LYS 100 -10.818 10.244 2.396 794 HG2 LYS 100 2HG LYS 100 -12.261 12.816 1.768 795 HG3 LYS 100 3HG LYS 100 -13.154 11.499 2.522 796 HD2 LYS 100 2HD LYS 100 -11.571 11.490 4.412 797 HD3 LYS 100 3HD LYS 100 -10.639 12.782 3.649 798 HE2 LYS 100 2HE LYS 100 -12.595 14.285 3.828 799 HE3 LYS 100 3HE LYS 100 -13.518 12.992 4.596 800 HZ1 LYS 100 3HZ LYS 100 -11.056 14.257 5.680 801 HZ2 LYS 100 1HZ LYS 100 -11.905 12.995 6.418 802 HZ3 LYS 100 2HZ LYS 100 -12.626 14.512 6.233 803 H THR 101 H THR 101 -8.294 10.587 2.342 804 HA THR 101 HA THR 101 -7.636 13.066 3.656 805 HB THR 101 HB THR 101 -7.505 10.960 4.923 806 HG1 THR 101 HG1 THR 101 -6.147 12.219 5.965 807 HG21 THR 101 3HG2 THR 101 -5.684 9.346 4.596 808 HG22 THR 101 1HG2 THR 101 -5.140 10.233 3.169 809 HG23 THR 101 2HG2 THR 101 -6.710 9.432 3.164 810 H ALA 102 H ALA 102 -6.361 11.327 0.932 811 HA ALA 102 HA ALA 102 -3.874 12.775 0.700 812 HB1 ALA 102 3HB ALA 102 -4.131 10.527 -0.291 813 HB2 ALA 102 1HB ALA 102 -3.719 11.717 -1.526 814 HB3 ALA 102 2HB ALA 102 -5.381 11.132 -1.379 815 H GLY 103 H GLY 103 -7.150 12.985 -0.653 816 HA2 GLY 103 2HA GLY 103 -6.539 15.478 -2.113 817 HA3 GLY 103 3HA GLY 103 -7.991 14.498 -2.265 818 H SER 104 H SER 104 -6.363 15.848 0.598 819 HA SER 104 HA SER 104 -8.877 17.093 1.501 820 HB2 SER 104 2HB SER 104 -6.184 16.740 2.913 821 HB3 SER 104 3HB SER 104 -7.637 17.424 3.647 822 HG SER 104 HG SER 104 -7.978 14.967 2.440 823 H LEU 105 H LEU 105 -7.208 18.170 -0.772 824 HA LEU 105 HA LEU 105 -5.930 20.585 0.182 825 HB2 LEU 105 2HB LEU 105 -6.434 19.553 -2.642 826 HB3 LEU 105 3HB LEU 105 -5.609 21.058 -2.297 827 HG LEU 105 HG LEU 105 -3.903 19.472 -2.797 828 HD11 LEU 105 1HD1 LEU 105 -2.550 19.371 -0.771 829 HD12 LEU 105 2HD1 LEU 105 -3.971 19.707 0.221 830 HD13 LEU 105 3HD1 LEU 105 -3.370 20.928 -0.902 831 HD21 LEU 105 3HD2 LEU 105 -5.124 17.539 -0.803 832 HD22 LEU 105 1HD2 LEU 105 -3.623 17.286 -1.699 833 HD23 LEU 105 2HD2 LEU 105 -5.157 17.385 -2.560 834 H GLU 106 H GLU 106 -7.836 21.329 1.273 835 HA GLU 106 HA GLU 106 -9.453 22.822 1.654 836 HB2 GLU 106 2HB GLU 106 -7.770 24.219 0.356 837 HB3 GLU 106 3HB GLU 106 -8.791 24.030 -1.063 838 HG2 GLU 106 2HG GLU 106 -10.568 25.301 -0.058 839 HG3 GLU 106 3HG GLU 106 -9.804 25.244 1.528 840 H HIS 107 H HIS 107 -10.109 20.318 -0.008 841 HA HIS 107 HA HIS 107 -12.473 21.026 -1.529 842 HB2 HIS 107 2HB HIS 107 -11.486 18.277 -0.624 843 HB3 HIS 107 3HB HIS 107 -12.817 18.556 -1.740 844 HD1 HIS 107 HD1 HIS 107 -10.216 16.912 -2.414 845 HD2 HIS 107 HD2 HIS 107 -10.957 20.847 -3.545 846 HE1 HIS 107 HE1 HIS 107 -8.781 17.314 -4.436 847 HE2 HIS 107 HE2 HIS 107 -9.217 19.702 -5.075 848 H HIS 108 H HIS 108 -13.400 22.288 0.250 849 HA HIS 108 HA HIS 108 -14.464 20.839 2.569 850 HB2 HIS 108 2HB HIS 108 -13.296 22.995 2.963 851 HB3 HIS 108 3HB HIS 108 -14.431 23.820 1.900 852 HD1 HIS 108 HD1 HIS 108 -16.242 25.006 3.141 853 HD2 HIS 108 HD2 HIS 108 -14.814 21.736 5.271 854 HE1 HIS 108 HE1 HIS 108 -17.501 25.007 5.307 855 HE2 HIS 108 HE2 HIS 108 -16.470 23.151 6.651 856 H HIS 109 H HIS 109 -15.786 19.654 0.916 857 HA HIS 109 HA HIS 109 -18.489 20.842 0.791 858 HB2 HIS 109 2HB HIS 109 -17.011 19.483 -1.492 859 HB3 HIS 109 3HB HIS 109 -18.769 19.492 -1.436 860 HD1 HIS 109 HD1 HIS 109 -19.938 21.584 -2.202 861 HD2 HIS 109 HD2 HIS 109 -15.837 22.116 -1.847 862 HE1 HIS 109 HE1 HIS 109 -19.450 23.797 -3.283 863 HE2 HIS 109 HE2 HIS 109 -16.948 24.000 -3.222 864 H HIS 110 H HIS 110 -19.807 19.610 1.909 865 HA HIS 110 HA HIS 110 -19.251 17.092 3.021 866 HB2 HIS 110 2HB HIS 110 -20.970 18.725 3.868 867 HB3 HIS 110 3HB HIS 110 -21.998 18.322 2.500 868 HD1 HIS 110 HD1 HIS 110 -20.883 17.098 5.836 869 HD2 HIS 110 HD2 HIS 110 -23.311 15.787 2.720 870 HE1 HIS 110 HE1 HIS 110 -22.219 15.186 6.774 871 HE2 HIS 110 HE2 HIS 110 -23.823 14.574 4.943 872 H HIS 111 H HIS 111 -21.092 17.993 0.127 873 HA HIS 111 HA HIS 111 -20.791 15.228 -0.915 874 HB2 HIS 111 2HB HIS 111 -23.177 16.131 -0.636 875 HB3 HIS 111 3HB HIS 111 -22.803 17.326 -1.870 876 HD1 HIS 111 HD1 HIS 111 -23.587 13.726 -1.373 877 HD2 HIS 111 HD2 HIS 111 -22.652 16.279 -4.518 878 HE1 HIS 111 HE1 HIS 111 -24.148 12.453 -3.462 879 HE2 HIS 111 HE2 HIS 111 -23.768 14.089 -5.325 880 H HIS 112 H HIS 112 -18.647 15.721 -1.513 881 HA HIS 112 HA HIS 112 -17.845 17.935 -3.055 882 HB2 HIS 112 2HB HIS 112 -15.706 16.747 -3.384 883 HB3 HIS 112 3HB HIS 112 -16.245 16.657 -1.711 884 HD1 HIS 112 HD1 HIS 112 -15.121 14.564 -4.486 885 HD2 HIS 112 HD2 HIS 112 -17.346 14.008 -1.019 886 HE1 HIS 112 HE1 HIS 112 -15.185 12.080 -4.114 887 HE2 HIS 112 HE2 HIS 112 -16.716 11.774 -2.147 Start of MODEL 17 1 H1 MET 1 1H MET 1 8.727 15.393 -1.197 2 H2 MET 1 2H MET 1 8.173 14.164 -2.215 3 H3 MET 1 3H MET 1 9.045 13.776 -0.826 4 HA MET 1 HA MET 1 7.303 14.630 0.573 5 HB2 MET 1 2HB MET 1 5.880 15.095 -2.085 6 HB3 MET 1 3HB MET 1 5.090 15.199 -0.517 7 HG2 MET 1 2HG MET 1 7.357 16.973 -1.456 8 HG3 MET 1 3HG MET 1 5.649 17.415 -1.423 9 HE1 MET 1 3HE MET 1 6.289 19.603 -0.039 10 HE2 MET 1 1HE MET 1 7.998 19.158 0.005 11 HE3 MET 1 2HE MET 1 7.154 19.582 1.496 12 H GLY 2 H GLY 2 4.690 13.464 -0.070 13 HA2 GLY 2 2HA GLY 2 3.979 11.377 -1.254 14 HA3 GLY 2 3HA GLY 2 5.400 10.622 -0.550 15 H LYS 3 H LYS 3 2.316 10.434 -0.279 16 HA LYS 3 HA LYS 3 2.475 9.614 2.540 17 HB2 LYS 3 2HB LYS 3 1.164 11.718 2.581 18 HB3 LYS 3 3HB LYS 3 0.108 11.116 1.308 19 HG2 LYS 3 2HG LYS 3 -0.771 9.388 2.797 20 HG3 LYS 3 3HG LYS 3 0.369 9.852 4.061 21 HD2 LYS 3 2HD LYS 3 -0.751 12.024 4.313 22 HD3 LYS 3 3HD LYS 3 -1.840 11.648 2.975 23 HE2 LYS 3 2HE LYS 3 -2.821 9.806 4.266 24 HE3 LYS 3 3HE LYS 3 -1.696 10.106 5.592 25 HZ1 LYS 3 3HZ LYS 3 -3.793 11.976 4.629 26 HZ2 LYS 3 1HZ LYS 3 -2.702 12.288 5.882 27 HZ3 LYS 3 2HZ LYS 3 -3.851 11.059 6.051 28 H VAL 4 H VAL 4 1.524 7.550 2.827 29 HA VAL 4 HA VAL 4 0.300 6.320 0.446 30 HB VAL 4 HB VAL 4 2.752 6.108 0.177 31 HG11 VAL 4 1HG1 VAL 4 3.435 6.016 2.533 32 HG12 VAL 4 2HG1 VAL 4 4.089 4.652 1.625 33 HG13 VAL 4 3HG1 VAL 4 2.700 4.417 2.690 34 HG21 VAL 4 3HG2 VAL 4 2.821 3.701 -0.331 35 HG22 VAL 4 1HG2 VAL 4 1.299 4.432 -0.846 36 HG23 VAL 4 2HG2 VAL 4 1.354 3.453 0.623 37 H LEU 5 H LEU 5 -1.001 4.600 0.844 38 HA LEU 5 HA LEU 5 -1.538 3.848 3.631 39 HB2 LEU 5 2HB LEU 5 -3.441 4.511 2.138 40 HB3 LEU 5 3HB LEU 5 -3.076 3.143 1.103 41 HG LEU 5 HG LEU 5 -3.604 1.586 3.003 42 HD11 LEU 5 1HD1 LEU 5 -4.427 4.094 4.498 43 HD12 LEU 5 2HD1 LEU 5 -3.077 3.026 4.894 44 HD13 LEU 5 3HD1 LEU 5 -4.731 2.433 5.020 45 HD21 LEU 5 3HD2 LEU 5 -5.336 2.108 1.354 46 HD22 LEU 5 1HD2 LEU 5 -5.857 3.499 2.310 47 HD23 LEU 5 2HD2 LEU 5 -6.043 1.862 2.949 48 H LEU 6 H LEU 6 -0.005 2.400 4.190 49 HA LEU 6 HA LEU 6 0.904 0.224 2.547 50 HB2 LEU 6 2HB LEU 6 2.358 1.238 4.246 51 HB3 LEU 6 3HB LEU 6 1.212 0.842 5.513 52 HG LEU 6 HG LEU 6 1.676 -1.585 5.177 53 HD11 LEU 6 1HD1 LEU 6 3.558 -2.333 3.781 54 HD12 LEU 6 2HD1 LEU 6 3.751 -0.694 3.152 55 HD13 LEU 6 3HD1 LEU 6 2.275 -1.603 2.817 56 HD21 LEU 6 3HD2 LEU 6 2.919 -0.366 6.886 57 HD22 LEU 6 1HD2 LEU 6 4.158 0.081 5.707 58 HD23 LEU 6 2HD2 LEU 6 3.931 -1.612 6.159 59 H VAL 7 H VAL 7 -0.962 -0.865 1.940 60 HA VAL 7 HA VAL 7 -2.785 -2.066 3.858 61 HB VAL 7 HB VAL 7 -2.556 -2.447 0.833 62 HG11 VAL 7 1HG1 VAL 7 -4.831 -3.449 0.955 63 HG12 VAL 7 2HG1 VAL 7 -4.775 -3.347 2.714 64 HG13 VAL 7 3HG1 VAL 7 -3.648 -4.401 1.857 65 HG21 VAL 7 3HG2 VAL 7 -4.529 -0.965 0.668 66 HG22 VAL 7 1HG2 VAL 7 -3.163 -0.134 1.419 67 HG23 VAL 7 2HG2 VAL 7 -4.495 -0.722 2.416 68 H ILE 8 H ILE 8 -2.164 -3.825 4.935 69 HA ILE 8 HA ILE 8 -0.320 -5.782 3.718 70 HB ILE 8 HB ILE 8 -0.659 -5.172 6.685 71 HG12 ILE 8 2HG1 ILE 8 1.641 -4.439 4.814 72 HG13 ILE 8 3HG1 ILE 8 0.491 -3.311 5.522 73 HG21 ILE 8 1HG2 ILE 8 -0.053 -7.534 6.273 74 HG22 ILE 8 2HG2 ILE 8 1.286 -6.669 7.029 75 HG23 ILE 8 3HG2 ILE 8 1.329 -7.023 5.297 76 HD11 ILE 8 3HD1 ILE 8 2.639 -3.257 6.651 77 HD12 ILE 8 1HD1 ILE 8 2.497 -4.967 7.054 78 HD13 ILE 8 2HD1 ILE 8 1.365 -3.798 7.740 79 H SER 9 H SER 9 -1.056 -7.742 3.467 80 HA SER 9 HA SER 9 -2.816 -9.087 5.295 81 HB2 SER 9 2HB SER 9 -4.510 -7.977 3.861 82 HB3 SER 9 3HB SER 9 -3.724 -8.601 2.415 83 HG SER 9 HG SER 9 -5.649 -9.725 3.658 84 H THR 10 H THR 10 -2.722 -11.377 4.951 85 HA THR 10 HA THR 10 -0.460 -12.355 3.389 86 HB THR 10 HB THR 10 -2.450 -13.850 5.153 87 HG1 THR 10 HG1 THR 10 -1.313 -12.758 6.596 88 HG21 THR 10 3HG2 THR 10 -0.788 -15.684 5.164 89 HG22 THR 10 1HG2 THR 10 0.220 -14.788 4.024 90 HG23 THR 10 2HG2 THR 10 -1.368 -15.375 3.527 91 H ASP 11 H ASP 11 -3.957 -12.350 3.380 92 HA ASP 11 HA ASP 11 -4.396 -14.376 1.424 93 HB2 ASP 11 2HB ASP 11 -6.194 -12.194 2.549 94 HB3 ASP 11 3HB ASP 11 -6.756 -13.446 1.442 95 H THR 12 H THR 12 -3.160 -13.876 -0.370 96 HA THR 12 HA THR 12 -3.097 -11.424 -1.759 97 HB THR 12 HB THR 12 -2.218 -12.874 -3.698 98 HG1 THR 12 HG1 THR 12 -1.808 -15.045 -2.097 99 HG21 THR 12 3HG2 THR 12 -0.696 -11.814 -2.062 100 HG22 THR 12 1HG2 THR 12 -0.100 -13.405 -2.545 101 HG23 THR 12 2HG2 THR 12 -0.887 -13.196 -0.980 102 H ASN 13 H ASN 13 -5.427 -14.015 -1.812 103 HA ASN 13 HA ASN 13 -6.789 -13.422 -4.218 104 HB2 ASN 13 2HB ASN 13 -7.897 -14.577 -1.622 105 HB3 ASN 13 3HB ASN 13 -8.721 -14.613 -3.177 106 HD21 ASN 13 1HD2 ASN 13 -8.831 -16.862 -3.177 107 HD22 ASN 13 2HD2 ASN 13 -7.442 -17.866 -3.401 108 H ILE 14 H ILE 14 -7.172 -12.249 -0.886 109 HA ILE 14 HA ILE 14 -9.416 -10.551 -1.380 110 HB ILE 14 HB ILE 14 -7.432 -10.511 0.933 111 HG12 ILE 14 2HG1 ILE 14 -8.493 -12.694 0.874 112 HG13 ILE 14 3HG1 ILE 14 -9.228 -11.789 2.186 113 HG21 ILE 14 1HG2 ILE 14 -8.634 -8.385 0.802 114 HG22 ILE 14 2HG2 ILE 14 -9.189 -9.301 2.204 115 HG23 ILE 14 3HG2 ILE 14 -10.181 -9.232 0.747 116 HD11 ILE 14 3HD1 ILE 14 -11.199 -11.393 0.810 117 HD12 ILE 14 1HD1 ILE 14 -10.848 -13.111 0.967 118 HD13 ILE 14 2HD1 ILE 14 -10.454 -12.267 -0.530 119 H ILE 15 H ILE 15 -5.928 -9.983 -0.936 120 HA ILE 15 HA ILE 15 -5.690 -7.251 -1.301 121 HB ILE 15 HB ILE 15 -3.820 -9.464 -2.254 122 HG12 ILE 15 2HG1 ILE 15 -3.635 -7.783 0.286 123 HG13 ILE 15 3HG1 ILE 15 -4.321 -9.403 0.222 124 HG21 ILE 15 1HG2 ILE 15 -2.006 -7.775 -2.270 125 HG22 ILE 15 2HG2 ILE 15 -3.186 -6.510 -1.919 126 HG23 ILE 15 3HG2 ILE 15 -3.267 -7.393 -3.444 127 HD11 ILE 15 3HD1 ILE 15 -2.149 -10.279 -0.519 128 HD12 ILE 15 1HD1 ILE 15 -2.069 -9.473 1.047 129 HD13 ILE 15 2HD1 ILE 15 -1.467 -8.653 -0.392 130 H SER 16 H SER 16 -5.691 -9.814 -3.758 131 HA SER 16 HA SER 16 -5.387 -8.294 -6.076 132 HB2 SER 16 2HB SER 16 -5.148 -10.757 -6.017 133 HB3 SER 16 3HB SER 16 -6.874 -10.933 -5.719 134 HG SER 16 HG SER 16 -7.232 -9.958 -7.769 135 H SER 17 H SER 17 -8.397 -9.515 -4.526 136 HA SER 17 HA SER 17 -10.274 -8.575 -6.352 137 HB2 SER 17 2HB SER 17 -10.596 -8.935 -3.337 138 HB3 SER 17 3HB SER 17 -11.928 -8.823 -4.498 139 HG SER 17 HG SER 17 -9.987 -10.721 -5.052 140 H VAL 18 H VAL 18 -9.233 -7.032 -3.323 141 HA VAL 18 HA VAL 18 -10.763 -4.690 -3.441 142 HB VAL 18 HB VAL 18 -8.081 -5.198 -2.080 143 HG11 VAL 18 1HG1 VAL 18 -8.448 -2.774 -2.302 144 HG12 VAL 18 2HG1 VAL 18 -8.628 -3.264 -0.619 145 HG13 VAL 18 3HG1 VAL 18 -10.057 -2.937 -1.597 146 HG21 VAL 18 3HG2 VAL 18 -9.408 -5.649 -0.061 147 HG22 VAL 18 1HG2 VAL 18 -9.905 -6.728 -1.366 148 HG23 VAL 18 2HG2 VAL 18 -10.902 -5.335 -0.943 149 H GLN 19 H GLN 19 -7.449 -5.334 -4.508 150 HA GLN 19 HA GLN 19 -6.700 -2.722 -5.238 151 HB2 GLN 19 2HB GLN 19 -5.116 -4.558 -4.824 152 HB3 GLN 19 3HB GLN 19 -5.721 -5.419 -6.237 153 HG2 GLN 19 2HG GLN 19 -4.921 -3.474 -7.640 154 HG3 GLN 19 3HG GLN 19 -4.153 -2.829 -6.189 155 HE21 GLN 19 1HE2 GLN 19 -3.345 -5.407 -5.127 156 HE22 GLN 19 2HE2 GLN 19 -2.072 -5.970 -6.141 157 H GLU 20 H GLU 20 -8.190 -5.370 -7.075 158 HA GLU 20 HA GLU 20 -8.173 -4.118 -9.634 159 HB2 GLU 20 2HB GLU 20 -9.846 -6.407 -8.536 160 HB3 GLU 20 3HB GLU 20 -9.856 -5.912 -10.232 161 HG2 GLU 20 2HG GLU 20 -7.501 -6.491 -10.465 162 HG3 GLU 20 3HG GLU 20 -7.378 -6.852 -8.744 163 H ARG 21 H ARG 21 -10.548 -4.305 -6.979 164 HA ARG 21 HA ARG 21 -12.677 -2.914 -8.250 165 HB2 ARG 21 2HB ARG 21 -12.006 -3.056 -5.274 166 HB3 ARG 21 3HB ARG 21 -13.524 -2.453 -5.930 167 HG2 ARG 21 2HG ARG 21 -12.486 -5.297 -6.088 168 HG3 ARG 21 3HG ARG 21 -13.821 -4.717 -5.095 169 HD2 ARG 21 2HD ARG 21 -15.101 -4.192 -7.159 170 HD3 ARG 21 3HD ARG 21 -13.755 -4.782 -8.140 171 HE ARG 21 HE ARG 21 -15.540 -6.393 -6.440 172 HH11 ARG 21 1HH1 ARG 21 -12.979 -6.326 -8.858 173 HH12 ARG 21 2HH1 ARG 21 -13.115 -8.014 -9.225 174 HH21 ARG 21 1HH2 ARG 21 -15.720 -8.588 -6.945 175 HH22 ARG 21 2HH2 ARG 21 -14.680 -9.298 -8.131 176 H ALA 22 H ALA 22 -9.829 -1.876 -6.484 177 HA ALA 22 HA ALA 22 -10.513 0.851 -6.124 178 HB1 ALA 22 3HB ALA 22 -8.166 1.108 -5.438 179 HB2 ALA 22 1HB ALA 22 -7.784 -0.484 -6.100 180 HB3 ALA 22 2HB ALA 22 -8.871 -0.341 -4.716 181 H LYS 23 H LYS 23 -8.369 -0.785 -8.496 182 HA LYS 23 HA LYS 23 -7.648 1.653 -9.835 183 HB2 LYS 23 2HB LYS 23 -7.212 -1.246 -10.650 184 HB3 LYS 23 3HB LYS 23 -6.461 0.146 -11.434 185 HG2 LYS 23 2HG LYS 23 -5.295 0.705 -9.321 186 HG3 LYS 23 3HG LYS 23 -6.043 -0.690 -8.538 187 HD2 LYS 23 2HD LYS 23 -4.118 -0.790 -10.899 188 HD3 LYS 23 3HD LYS 23 -3.715 -1.171 -9.224 189 HE2 LYS 23 2HE LYS 23 -5.350 -3.056 -9.292 190 HE3 LYS 23 3HE LYS 23 -5.677 -2.689 -10.987 191 HZ1 LYS 23 3HZ LYS 23 -4.128 -4.438 -10.922 192 HZ2 LYS 23 1HZ LYS 23 -3.131 -3.645 -9.809 193 HZ3 LYS 23 2HZ LYS 23 -3.266 -3.065 -11.391 194 H HIS 24 H HIS 24 -10.115 -0.807 -10.371 195 HA HIS 24 HA HIS 24 -10.673 0.009 -13.103 196 HB2 HIS 24 2HB HIS 24 -10.888 -2.385 -12.320 197 HB3 HIS 24 3HB HIS 24 -12.277 -1.904 -11.358 198 HD1 HIS 24 HD1 HIS 24 -11.225 -2.795 -14.781 199 HD2 HIS 24 HD2 HIS 24 -14.606 -1.237 -12.943 200 HE1 HIS 24 HE1 HIS 24 -13.080 -3.066 -16.447 201 HE2 HIS 24 HE2 HIS 24 -15.151 -2.330 -15.217 202 H ASN 25 H ASN 25 -12.407 0.128 -9.961 203 HA ASN 25 HA ASN 25 -14.631 1.627 -11.008 204 HB2 ASN 25 2HB ASN 25 -14.906 0.086 -9.084 205 HB3 ASN 25 3HB ASN 25 -13.842 1.093 -8.112 206 HD21 ASN 25 1HD2 ASN 25 -16.417 2.249 -10.300 207 HD22 ASN 25 2HD2 ASN 25 -17.384 2.937 -9.044 208 H TYR 26 H TYR 26 -11.539 2.470 -9.565 209 HA TYR 26 HA TYR 26 -12.203 5.348 -9.967 210 HB2 TYR 26 2HB TYR 26 -9.978 4.251 -8.194 211 HB3 TYR 26 3HB TYR 26 -10.510 5.922 -8.324 212 HD1 TYR 26 HD1 TYR 26 -12.990 6.422 -7.617 213 HD2 TYR 26 HD2 TYR 26 -10.871 2.890 -6.463 214 HE1 TYR 26 HE1 TYR 26 -14.566 6.070 -5.778 215 HE2 TYR 26 HE2 TYR 26 -12.454 2.541 -4.619 216 HH TYR 26 HH TYR 26 -15.372 4.355 -4.380 217 HA PRO 27 HA PRO 27 -9.387 4.003 -13.451 218 HB2 PRO 27 2HB PRO 27 -10.780 6.296 -14.809 219 HB3 PRO 27 3HB PRO 27 -10.539 4.633 -15.379 220 HG2 PRO 27 2HG PRO 27 -12.947 5.428 -14.593 221 HG3 PRO 27 3HG PRO 27 -12.348 3.802 -14.176 222 HD2 PRO 27 2HD PRO 27 -12.430 6.273 -12.434 223 HD3 PRO 27 3HD PRO 27 -12.904 4.605 -12.042 224 H GLY 28 H GLY 28 -7.382 4.786 -13.826 225 HA2 GLY 28 2HA GLY 28 -5.672 6.272 -14.227 226 HA3 GLY 28 3HA GLY 28 -6.791 7.609 -14.035 227 H ARG 29 H ARG 29 -7.129 5.711 -11.300 228 HA ARG 29 HA ARG 29 -5.526 7.462 -9.651 229 HB2 ARG 29 2HB ARG 29 -7.170 4.985 -8.985 230 HB3 ARG 29 3HB ARG 29 -6.268 5.895 -7.776 231 HG2 ARG 29 2HG ARG 29 -8.514 6.996 -9.490 232 HG3 ARG 29 3HG ARG 29 -8.659 6.494 -7.805 233 HD2 ARG 29 2HD ARG 29 -7.036 8.261 -7.158 234 HD3 ARG 29 3HD ARG 29 -6.942 8.775 -8.850 235 HE ARG 29 HE ARG 29 -9.566 8.738 -7.548 236 HH11 ARG 29 1HH1 ARG 29 -6.908 10.721 -8.758 237 HH12 ARG 29 2HH1 ARG 29 -7.850 12.177 -8.744 238 HH21 ARG 29 1HH2 ARG 29 -10.767 10.636 -7.561 239 HH22 ARG 29 2HH2 ARG 29 -10.038 12.129 -8.068 240 H GLU 30 H GLU 30 -3.435 7.244 -9.491 241 HA GLU 30 HA GLU 30 -1.902 4.975 -10.239 242 HB2 GLU 30 2HB GLU 30 -1.126 7.387 -8.535 243 HB3 GLU 30 3HB GLU 30 0.004 6.278 -9.306 244 HG2 GLU 30 2HG GLU 30 -1.969 8.017 -10.828 245 HG3 GLU 30 3HG GLU 30 -0.309 8.494 -10.470 246 H ILE 31 H ILE 31 -1.808 3.152 -9.109 247 HA ILE 31 HA ILE 31 -1.739 3.118 -6.157 248 HB ILE 31 HB ILE 31 -3.466 1.351 -7.963 249 HG12 ILE 31 2HG1 ILE 31 -4.247 3.267 -5.717 250 HG13 ILE 31 3HG1 ILE 31 -4.454 3.573 -7.437 251 HG21 ILE 31 1HG2 ILE 31 -4.171 0.118 -5.945 252 HG22 ILE 31 2HG2 ILE 31 -3.032 1.054 -4.974 253 HG23 ILE 31 3HG2 ILE 31 -2.434 -0.046 -6.218 254 HD11 ILE 31 3HD1 ILE 31 -6.050 1.721 -7.554 255 HD12 ILE 31 1HD1 ILE 31 -6.541 2.975 -6.417 256 HD13 ILE 31 2HD1 ILE 31 -5.864 1.460 -5.817 257 H ARG 32 H ARG 32 -0.332 1.572 -5.323 258 HA ARG 32 HA ARG 32 1.424 0.158 -7.249 259 HB2 ARG 32 2HB ARG 32 1.998 1.349 -4.512 260 HB3 ARG 32 3HB ARG 32 3.117 0.254 -5.320 261 HG2 ARG 32 2HG ARG 32 2.202 2.942 -6.393 262 HG3 ARG 32 3HG ARG 32 3.749 2.613 -5.609 263 HD2 ARG 32 2HD ARG 32 4.262 0.969 -7.442 264 HD3 ARG 32 3HD ARG 32 2.779 1.472 -8.256 265 HE ARG 32 HE ARG 32 3.765 3.739 -8.386 266 HH11 ARG 32 1HH1 ARG 32 5.960 1.013 -7.994 267 HH12 ARG 32 2HH1 ARG 32 7.304 1.840 -8.703 268 HH21 ARG 32 1HH2 ARG 32 5.537 4.802 -9.324 269 HH22 ARG 32 2HH2 ARG 32 7.065 3.991 -9.458 270 H THR 33 H THR 33 2.482 -1.765 -6.388 271 HA THR 33 HA THR 33 1.073 -3.328 -4.352 272 HB THR 33 HB THR 33 1.471 -4.413 -7.184 273 HG1 THR 33 HG1 THR 33 -0.652 -4.015 -7.529 274 HG21 THR 33 3HG2 THR 33 1.473 -6.155 -5.419 275 HG22 THR 33 1HG2 THR 33 0.025 -6.268 -6.427 276 HG23 THR 33 2HG2 THR 33 -0.071 -5.545 -4.821 277 H ALA 34 H ALA 34 2.712 -4.075 -3.091 278 HA ALA 34 HA ALA 34 5.404 -4.439 -4.246 279 HB1 ALA 34 3HB ALA 34 6.263 -4.137 -1.972 280 HB2 ALA 34 1HB ALA 34 4.612 -4.005 -1.363 281 HB3 ALA 34 2HB ALA 34 5.246 -2.776 -2.451 282 H THR 35 H THR 35 5.862 -6.499 -4.736 283 HA THR 35 HA THR 35 4.792 -8.800 -3.358 284 HB THR 35 HB THR 35 7.063 -8.497 -5.368 285 HG1 THR 35 HG1 THR 35 4.684 -8.154 -5.884 286 HG21 THR 35 3HG2 THR 35 5.777 -11.071 -4.383 287 HG22 THR 35 1HG2 THR 35 7.435 -10.562 -4.050 288 HG23 THR 35 2HG2 THR 35 6.942 -10.943 -5.703 289 H SER 36 H SER 36 7.914 -7.066 -3.431 290 HA SER 36 HA SER 36 8.655 -7.991 -0.779 291 HB2 SER 36 2HB SER 36 9.308 -9.916 -2.278 292 HB3 SER 36 3HB SER 36 10.376 -8.835 -3.173 293 HG SER 36 HG SER 36 10.601 -9.302 -0.367 294 H SER 37 H SER 37 11.327 -7.321 -0.769 295 HA SER 37 HA SER 37 11.164 -4.624 -0.165 296 HB2 SER 37 2HB SER 37 13.620 -4.774 0.273 297 HB3 SER 37 3HB SER 37 12.728 -6.136 0.959 298 HG SER 37 HG SER 37 13.416 -6.802 -1.506 299 H GLN 38 H GLN 38 12.117 -6.080 -3.201 300 HA GLN 38 HA GLN 38 13.585 -4.011 -4.399 301 HB2 GLN 38 2HB GLN 38 13.421 -6.255 -5.400 302 HB3 GLN 38 3HB GLN 38 11.693 -6.057 -5.643 303 HG2 GLN 38 2HG GLN 38 12.960 -5.797 -7.745 304 HG3 GLN 38 3HG GLN 38 12.061 -4.345 -7.320 305 HE21 GLN 38 1HE2 GLN 38 15.163 -5.212 -5.820 306 HE22 GLN 38 2HE2 GLN 38 16.052 -3.922 -6.537 307 H ASP 39 H ASP 39 10.107 -4.705 -4.439 308 HA ASP 39 HA ASP 39 9.258 -2.425 -5.893 309 HB2 ASP 39 2HB ASP 39 7.644 -4.067 -3.899 310 HB3 ASP 39 3HB ASP 39 6.992 -3.009 -5.147 311 H ILE 40 H ILE 40 9.292 -3.232 -2.438 312 HA ILE 40 HA ILE 40 8.219 -1.082 -1.163 313 HB ILE 40 HB ILE 40 10.668 -2.722 -0.420 314 HG12 ILE 40 2HG1 ILE 40 8.598 -4.058 -0.585 315 HG13 ILE 40 3HG1 ILE 40 9.144 -3.982 1.083 316 HG21 ILE 40 1HG2 ILE 40 10.878 -0.683 0.845 317 HG22 ILE 40 2HG2 ILE 40 10.394 -1.982 1.935 318 HG23 ILE 40 3HG2 ILE 40 9.206 -0.794 1.393 319 HD11 ILE 40 3HD1 ILE 40 7.419 -2.305 1.549 320 HD12 ILE 40 1HD1 ILE 40 6.750 -3.819 0.942 321 HD13 ILE 40 2HD1 ILE 40 6.870 -2.422 -0.125 322 H ARG 41 H ARG 41 11.611 -1.344 -2.207 323 HA ARG 41 HA ARG 41 12.473 1.221 -1.350 324 HB2 ARG 41 2HB ARG 41 13.640 -0.739 -3.366 325 HB3 ARG 41 3HB ARG 41 14.471 0.725 -2.844 326 HG2 ARG 41 2HG ARG 41 13.666 -1.582 -1.042 327 HG3 ARG 41 3HG ARG 41 15.288 -1.286 -1.671 328 HD2 ARG 41 2HD ARG 41 13.750 0.568 0.185 329 HD3 ARG 41 3HD ARG 41 15.036 -0.539 0.668 330 HE ARG 41 HE ARG 41 15.524 1.649 -1.268 331 HH11 ARG 41 1HH1 ARG 41 16.383 0.056 1.753 332 HH12 ARG 41 2HH1 ARG 41 17.797 1.020 1.995 333 HH21 ARG 41 1HH2 ARG 41 17.365 2.919 -0.905 334 HH22 ARG 41 2HH2 ARG 41 18.349 2.639 0.490 335 H ASP 42 H ASP 42 11.512 -0.085 -4.532 336 HA ASP 42 HA ASP 42 12.076 2.163 -6.119 337 HB2 ASP 42 2HB ASP 42 11.738 -0.044 -7.102 338 HB3 ASP 42 3HB ASP 42 10.074 -0.100 -6.525 339 H ILE 43 H ILE 43 9.133 1.319 -4.339 340 HA ILE 43 HA ILE 43 7.362 3.206 -5.526 341 HB ILE 43 HB ILE 43 7.182 1.741 -2.864 342 HG12 ILE 43 2HG1 ILE 43 5.679 1.103 -5.441 343 HG13 ILE 43 3HG1 ILE 43 7.200 0.332 -5.010 344 HG21 ILE 43 1HG2 ILE 43 4.765 2.306 -2.877 345 HG22 ILE 43 2HG2 ILE 43 5.009 3.301 -4.307 346 HG23 ILE 43 3HG2 ILE 43 5.771 3.748 -2.780 347 HD11 ILE 43 3HD1 ILE 43 5.326 -1.091 -4.465 348 HD12 ILE 43 1HD1 ILE 43 4.624 0.162 -3.442 349 HD13 ILE 43 2HD1 ILE 43 6.156 -0.594 -2.992 350 H ILE 44 H ILE 44 8.999 3.127 -2.340 351 HA ILE 44 HA ILE 44 8.141 5.602 -1.336 352 HB ILE 44 HB ILE 44 10.677 4.008 -0.750 353 HG12 ILE 44 2HG1 ILE 44 8.066 4.188 0.837 354 HG13 ILE 44 3HG1 ILE 44 8.469 2.879 -0.266 355 HG21 ILE 44 1HG2 ILE 44 9.554 6.335 0.864 356 HG22 ILE 44 2HG2 ILE 44 11.062 6.337 -0.053 357 HG23 ILE 44 3HG2 ILE 44 10.894 5.297 1.360 358 HD11 ILE 44 3HD1 ILE 44 8.825 2.222 2.019 359 HD12 ILE 44 1HD1 ILE 44 9.930 3.571 2.279 360 HD13 ILE 44 2HD1 ILE 44 10.364 2.271 1.163 361 H LYS 45 H LYS 45 11.110 4.741 -3.055 362 HA LYS 45 HA LYS 45 12.366 7.203 -3.319 363 HB2 LYS 45 2HB LYS 45 13.520 5.149 -3.763 364 HB3 LYS 45 3HB LYS 45 12.376 4.676 -5.002 365 HG2 LYS 45 2HG LYS 45 13.922 7.174 -5.547 366 HG3 LYS 45 3HG LYS 45 14.861 5.684 -5.508 367 HD2 LYS 45 2HD LYS 45 12.427 6.189 -7.282 368 HD3 LYS 45 3HD LYS 45 14.112 6.256 -7.809 369 HE2 LYS 45 2HE LYS 45 14.366 3.848 -7.259 370 HE3 LYS 45 3HE LYS 45 12.675 3.791 -6.753 371 HZ1 LYS 45 3HZ LYS 45 13.665 4.397 -9.482 372 HZ2 LYS 45 1HZ LYS 45 12.041 4.395 -9.004 373 HZ3 LYS 45 2HZ LYS 45 12.926 2.962 -8.972 374 H SER 46 H SER 46 9.824 5.758 -5.332 375 HA SER 46 HA SER 46 9.834 7.747 -7.393 376 HB2 SER 46 2HB SER 46 8.997 5.429 -7.758 377 HB3 SER 46 3HB SER 46 7.651 5.741 -6.661 378 HG SER 46 HG SER 46 7.998 7.550 -8.740 379 H MET 47 H MET 47 8.059 7.363 -4.344 380 HA MET 47 HA MET 47 6.143 9.462 -4.869 381 HB2 MET 47 2HB MET 47 6.801 8.005 -2.276 382 HB3 MET 47 3HB MET 47 5.476 9.151 -2.467 383 HG2 MET 47 2HG MET 47 4.529 7.668 -4.239 384 HG3 MET 47 3HG MET 47 5.777 6.483 -3.855 385 HE1 MET 47 3HE MET 47 4.836 5.643 -0.127 386 HE2 MET 47 1HE MET 47 5.993 6.842 -0.703 387 HE3 MET 47 2HE MET 47 5.928 5.244 -1.457 388 H LYS 48 H LYS 48 9.335 9.321 -3.457 389 HA LYS 48 HA LYS 48 9.360 11.799 -2.090 390 HB2 LYS 48 2HB LYS 48 11.635 10.434 -3.581 391 HB3 LYS 48 3HB LYS 48 11.807 11.754 -2.423 392 HG2 LYS 48 2HG LYS 48 10.842 10.251 -0.657 393 HG3 LYS 48 3HG LYS 48 10.852 8.940 -1.841 394 HD2 LYS 48 2HD LYS 48 12.858 8.779 -0.472 395 HD3 LYS 48 3HD LYS 48 13.313 9.238 -2.115 396 HE2 LYS 48 2HE LYS 48 13.401 11.636 -1.359 397 HE3 LYS 48 3HE LYS 48 13.070 11.082 0.284 398 HZ1 LYS 48 3HZ LYS 48 15.398 10.240 -1.336 399 HZ2 LYS 48 1HZ LYS 48 15.116 9.878 0.287 400 HZ3 LYS 48 2HZ LYS 48 15.432 11.472 -0.183 401 H ASP 49 H ASP 49 10.128 10.904 -5.427 402 HA ASP 49 HA ASP 49 11.037 13.439 -6.314 403 HB2 ASP 49 2HB ASP 49 11.698 11.345 -7.432 404 HB3 ASP 49 3HB ASP 49 10.026 11.018 -7.876 405 H ASN 50 H ASN 50 7.848 12.027 -6.074 406 HA ASN 50 HA ASN 50 6.641 14.396 -7.390 407 HB2 ASN 50 2HB ASN 50 6.556 12.293 -8.818 408 HB3 ASN 50 3HB ASN 50 5.583 11.539 -7.563 409 HD21 ASN 50 1HD2 ASN 50 5.021 12.207 -10.409 410 HD22 ASN 50 2HD2 ASN 50 3.550 13.116 -10.380 411 H GLY 51 H GLY 51 5.600 15.530 -5.895 412 HA2 GLY 51 2HA GLY 51 4.671 14.611 -3.374 413 HA3 GLY 51 3HA GLY 51 4.265 16.136 -4.145 414 H LYS 52 H LYS 52 3.391 12.754 -3.851 415 HA LYS 52 HA LYS 52 0.600 13.289 -4.509 416 HB2 LYS 52 2HB LYS 52 0.463 11.563 -6.239 417 HB3 LYS 52 3HB LYS 52 1.671 12.752 -6.709 418 HG2 LYS 52 2HG LYS 52 3.470 11.214 -5.980 419 HG3 LYS 52 3HG LYS 52 2.260 10.021 -5.506 420 HD2 LYS 52 2HD LYS 52 2.658 11.051 -8.341 421 HD3 LYS 52 3HD LYS 52 3.347 9.556 -7.718 422 HE2 LYS 52 2HE LYS 52 1.433 8.850 -8.896 423 HE3 LYS 52 3HE LYS 52 0.900 8.861 -7.220 424 HZ1 LYS 52 3HZ LYS 52 -0.738 9.815 -8.708 425 HZ2 LYS 52 1HZ LYS 52 0.372 10.989 -9.210 426 HZ3 LYS 52 2HZ LYS 52 -0.181 10.975 -7.617 427 HA PRO 53 HA PRO 53 0.283 9.718 -1.687 428 HB2 PRO 53 2HB PRO 53 -2.399 9.437 -1.554 429 HB3 PRO 53 3HB PRO 53 -1.599 10.872 -0.875 430 HG2 PRO 53 2HG PRO 53 -3.131 10.612 -3.436 431 HG3 PRO 53 3HG PRO 53 -3.049 11.975 -2.301 432 HD2 PRO 53 2HD PRO 53 -1.554 11.728 -4.700 433 HD3 PRO 53 3HD PRO 53 -1.251 12.899 -3.398 434 H LEU 54 H LEU 54 0.260 7.528 -1.875 435 HA LEU 54 HA LEU 54 -1.033 6.194 -4.192 436 HB2 LEU 54 2HB LEU 54 1.747 5.620 -3.074 437 HB3 LEU 54 3HB LEU 54 0.902 4.535 -4.169 438 HG LEU 54 HG LEU 54 1.890 7.346 -4.815 439 HD11 LEU 54 1HD1 LEU 54 2.752 4.708 -6.013 440 HD12 LEU 54 2HD1 LEU 54 3.641 5.577 -4.767 441 HD13 LEU 54 3HD1 LEU 54 3.415 6.308 -6.354 442 HD21 LEU 54 3HD2 LEU 54 -0.206 7.018 -5.958 443 HD22 LEU 54 1HD2 LEU 54 0.297 5.423 -6.533 444 HD23 LEU 54 2HD2 LEU 54 1.107 6.880 -7.122 445 H VAL 55 H VAL 55 -1.495 3.900 -3.803 446 HA VAL 55 HA VAL 55 -1.737 3.134 -0.932 447 HB VAL 55 HB VAL 55 -3.565 2.263 -3.226 448 HG11 VAL 55 1HG1 VAL 55 -3.794 1.736 -0.241 449 HG12 VAL 55 2HG1 VAL 55 -3.380 0.548 -1.477 450 HG13 VAL 55 3HG1 VAL 55 -4.992 1.267 -1.454 451 HG21 VAL 55 3HG2 VAL 55 -5.333 3.658 -2.186 452 HG22 VAL 55 1HG2 VAL 55 -3.960 4.640 -2.711 453 HG23 VAL 55 2HG2 VAL 55 -4.165 4.250 -1.002 454 H VAL 56 H VAL 56 -0.114 1.668 -0.570 455 HA VAL 56 HA VAL 56 0.769 -0.159 -2.707 456 HB VAL 56 HB VAL 56 1.938 0.391 0.056 457 HG11 VAL 56 1HG1 VAL 56 3.011 -1.479 -2.099 458 HG12 VAL 56 2HG1 VAL 56 2.374 -1.971 -0.530 459 HG13 VAL 56 3HG1 VAL 56 3.866 -1.037 -0.617 460 HG21 VAL 56 3HG2 VAL 56 2.267 2.193 -1.616 461 HG22 VAL 56 1HG2 VAL 56 3.022 1.033 -2.707 462 HG23 VAL 56 2HG2 VAL 56 3.792 1.429 -1.168 463 H PHE 57 H PHE 57 -0.456 -1.936 -2.892 464 HA PHE 57 HA PHE 57 -1.377 -3.472 -0.581 465 HB2 PHE 57 2HB PHE 57 -1.509 -3.952 -3.597 466 HB3 PHE 57 3HB PHE 57 -2.153 -5.070 -2.406 467 HD1 PHE 57 HD1 PHE 57 -2.612 -1.729 -3.954 468 HD2 PHE 57 HD2 PHE 57 -4.229 -4.622 -1.245 469 HE1 PHE 57 HE1 PHE 57 -4.756 -0.531 -3.936 470 HE2 PHE 57 HE2 PHE 57 -6.356 -3.411 -1.231 471 HZ PHE 57 HZ PHE 57 -6.628 -1.371 -2.581 472 H VAL 58 H VAL 58 0.328 -4.504 0.502 473 HA VAL 58 HA VAL 58 2.508 -5.681 -1.032 474 HB VAL 58 HB VAL 58 3.562 -6.312 1.067 475 HG11 VAL 58 1HG1 VAL 58 2.567 -3.446 1.156 476 HG12 VAL 58 2HG1 VAL 58 3.960 -4.042 0.259 477 HG13 VAL 58 3HG1 VAL 58 3.978 -4.067 2.019 478 HG21 VAL 58 3HG2 VAL 58 1.621 -6.900 2.449 479 HG22 VAL 58 1HG2 VAL 58 1.140 -5.204 2.522 480 HG23 VAL 58 2HG2 VAL 58 2.644 -5.731 3.284 481 H ASN 59 H ASN 59 2.239 -7.569 -1.986 482 HA ASN 59 HA ASN 59 0.112 -9.393 -1.390 483 HB2 ASN 59 2HB ASN 59 2.505 -9.720 -3.264 484 HB3 ASN 59 3HB ASN 59 1.151 -10.843 -3.169 485 HD21 ASN 59 1HD2 ASN 59 2.026 -9.453 -5.482 486 HD22 ASN 59 2HD2 ASN 59 0.735 -8.428 -5.996 487 H GLY 60 H GLY 60 0.495 -9.938 0.793 488 HA2 GLY 60 2HA GLY 60 1.221 -11.232 2.532 489 HA3 GLY 60 3HA GLY 60 1.642 -12.408 1.294 490 H ALA 61 H ALA 61 3.110 -9.217 1.661 491 HA ALA 61 HA ALA 61 5.756 -10.225 1.468 492 HB1 ALA 61 3HB ALA 61 5.131 -7.991 0.643 493 HB2 ALA 61 1HB ALA 61 6.465 -7.889 1.792 494 HB3 ALA 61 2HB ALA 61 4.830 -7.446 2.295 495 H SER 62 H SER 62 7.314 -10.547 3.010 496 HA SER 62 HA SER 62 6.461 -11.355 5.606 497 HB2 SER 62 2HB SER 62 8.822 -11.975 5.969 498 HB3 SER 62 3HB SER 62 8.332 -12.464 4.342 499 HG SER 62 HG SER 62 9.242 -10.282 3.763 500 H GLN 63 H GLN 63 7.569 -10.615 7.622 501 HA GLN 63 HA GLN 63 7.048 -7.917 8.159 502 HB2 GLN 63 2HB GLN 63 6.961 -9.718 9.876 503 HB3 GLN 63 3HB GLN 63 8.713 -9.871 9.809 504 HG2 GLN 63 2HG GLN 63 7.944 -8.584 11.787 505 HG3 GLN 63 3HG GLN 63 8.995 -7.634 10.734 506 HE21 GLN 63 1HE2 GLN 63 8.211 -5.682 11.504 507 HE22 GLN 63 2HE2 GLN 63 6.632 -5.090 11.148 508 H ASN 64 H ASN 64 9.964 -9.475 7.031 509 HA ASN 64 HA ASN 64 11.894 -7.511 7.547 510 HB2 ASN 64 2HB ASN 64 12.334 -9.816 6.593 511 HB3 ASN 64 3HB ASN 64 11.704 -9.258 5.050 512 HD21 ASN 64 1HD2 ASN 64 14.386 -10.267 5.839 513 HD22 ASN 64 2HD2 ASN 64 15.506 -9.048 5.343 514 H ASP 65 H ASP 65 9.842 -7.961 4.621 515 HA ASP 65 HA ASP 65 10.642 -5.654 3.212 516 HB2 ASP 65 2HB ASP 65 7.905 -6.986 3.003 517 HB3 ASP 65 3HB ASP 65 8.706 -6.014 1.768 518 H VAL 66 H VAL 66 8.039 -6.210 5.503 519 HA VAL 66 HA VAL 66 6.659 -3.765 5.310 520 HB VAL 66 HB VAL 66 6.884 -5.697 7.666 521 HG11 VAL 66 1HG1 VAL 66 4.864 -3.456 7.244 522 HG12 VAL 66 2HG1 VAL 66 6.110 -3.515 8.493 523 HG13 VAL 66 3HG1 VAL 66 4.781 -4.674 8.523 524 HG21 VAL 66 3HG2 VAL 66 4.706 -6.581 6.862 525 HG22 VAL 66 1HG2 VAL 66 5.957 -6.736 5.625 526 HG23 VAL 66 2HG2 VAL 66 4.749 -5.454 5.502 527 H ASN 67 H ASN 67 9.315 -4.819 7.466 528 HA ASN 67 HA ASN 67 9.568 -2.383 8.912 529 HB2 ASN 67 2HB ASN 67 11.481 -4.719 8.535 530 HB3 ASN 67 3HB ASN 67 11.898 -3.323 9.527 531 HD21 ASN 67 1HD2 ASN 67 11.406 -6.197 10.181 532 HD22 ASN 67 2HD2 ASN 67 10.254 -6.164 11.460 533 H GLU 68 H GLU 68 11.098 -3.588 5.930 534 HA GLU 68 HA GLU 68 12.994 -1.513 5.593 535 HB2 GLU 68 2HB GLU 68 11.592 -3.061 3.366 536 HB3 GLU 68 3HB GLU 68 13.099 -2.163 3.218 537 HG2 GLU 68 2HG GLU 68 12.632 -4.744 4.732 538 HG3 GLU 68 3HG GLU 68 13.577 -4.522 3.270 539 H PHE 69 H PHE 69 9.573 -1.836 4.754 540 HA PHE 69 HA PHE 69 9.334 0.490 3.147 541 HB2 PHE 69 2HB PHE 69 7.712 -1.473 3.156 542 HB3 PHE 69 3HB PHE 69 7.092 -0.886 4.694 543 HD1 PHE 69 HD2 PHE 69 7.267 -0.244 1.064 544 HD2 PHE 69 HD1 PHE 69 5.674 1.160 4.785 545 HE1 PHE 69 HE2 PHE 69 5.732 1.232 -0.150 546 HE2 PHE 69 HE1 PHE 69 4.149 2.635 3.553 547 HZ PHE 69 HZ PHE 69 4.173 2.672 1.091 548 H GLN 70 H GLN 70 8.723 -0.184 6.573 549 HA GLN 70 HA GLN 70 7.505 2.317 7.159 550 HB2 GLN 70 2HB GLN 70 8.701 0.218 9.006 551 HB3 GLN 70 3HB GLN 70 7.722 1.590 9.543 552 HG2 GLN 70 2HG GLN 70 5.805 0.745 8.236 553 HG3 GLN 70 3HG GLN 70 6.777 -0.615 7.679 554 HE21 GLN 70 1HE2 GLN 70 5.024 0.748 10.344 555 HE22 GLN 70 2HE2 GLN 70 5.076 -0.661 11.340 556 H ASN 71 H ASN 71 10.762 0.999 7.865 557 HA ASN 71 HA ASN 71 11.790 3.303 9.133 558 HB2 ASN 71 2HB ASN 71 13.174 0.916 7.873 559 HB3 ASN 71 3HB ASN 71 14.107 2.275 8.505 560 HD21 ASN 71 1HD2 ASN 71 12.146 -0.474 9.345 561 HD22 ASN 71 2HD2 ASN 71 12.418 -0.399 11.039 562 H GLU 72 H GLU 72 12.153 2.169 5.721 563 HA GLU 72 HA GLU 72 13.662 4.385 4.860 564 HB2 GLU 72 2HB GLU 72 11.955 2.438 3.303 565 HB3 GLU 72 3HB GLU 72 12.733 3.795 2.498 566 HG2 GLU 72 2HG GLU 72 14.111 1.543 3.992 567 HG3 GLU 72 3HG GLU 72 14.087 1.788 2.245 568 H ALA 73 H ALA 73 10.103 3.879 4.683 569 HA ALA 73 HA ALA 73 9.437 6.189 3.284 570 HB1 ALA 73 3HB ALA 73 7.747 4.848 5.429 571 HB2 ALA 73 1HB ALA 73 7.815 4.393 3.723 572 HB3 ALA 73 2HB ALA 73 7.162 5.964 4.189 573 H LYS 74 H LYS 74 9.690 5.813 6.878 574 HA LYS 74 HA LYS 74 8.892 8.492 7.418 575 HB2 LYS 74 2HB LYS 74 9.630 8.104 9.749 576 HB3 LYS 74 3HB LYS 74 8.576 6.855 9.139 577 HG2 LYS 74 2HG LYS 74 10.102 5.591 10.318 578 HG3 LYS 74 3HG LYS 74 10.798 5.528 8.704 579 HD2 LYS 74 2HD LYS 74 12.528 5.892 10.422 580 HD3 LYS 74 3HD LYS 74 12.438 7.265 9.321 581 HE2 LYS 74 2HE LYS 74 11.113 8.508 11.018 582 HE3 LYS 74 3HE LYS 74 11.238 7.128 12.109 583 HZ1 LYS 74 3HZ LYS 74 13.610 7.409 12.161 584 HZ2 LYS 74 1HZ LYS 74 12.855 8.858 12.599 585 HZ3 LYS 74 2HZ LYS 74 13.522 8.683 11.058 586 H LYS 75 H LYS 75 12.160 7.021 7.055 587 HA LYS 75 HA LYS 75 13.521 9.471 7.795 588 HB2 LYS 75 2HB LYS 75 15.610 8.328 7.158 589 HB3 LYS 75 3HB LYS 75 14.614 7.308 8.193 590 HG2 LYS 75 2HG LYS 75 13.865 6.026 6.248 591 HG3 LYS 75 3HG LYS 75 14.815 7.046 5.172 592 HD2 LYS 75 2HD LYS 75 16.214 5.588 7.431 593 HD3 LYS 75 3HD LYS 75 15.723 4.684 5.997 594 HE2 LYS 75 2HE LYS 75 17.497 7.150 5.966 595 HE3 LYS 75 3HE LYS 75 18.059 5.479 5.832 596 HZ1 LYS 75 3HZ LYS 75 16.599 5.278 3.836 597 HZ2 LYS 75 1HZ LYS 75 17.885 6.365 3.651 598 HZ3 LYS 75 2HZ LYS 75 16.323 6.945 3.923 599 H GLU 76 H GLU 76 12.157 8.275 4.880 600 HA GLU 76 HA GLU 76 13.719 10.076 3.160 601 HB2 GLU 76 2HB GLU 76 11.707 7.895 2.485 602 HB3 GLU 76 3HB GLU 76 12.539 8.876 1.286 603 HG2 GLU 76 2HG GLU 76 13.864 6.946 3.236 604 HG3 GLU 76 3HG GLU 76 13.560 6.646 1.527 605 H GLY 77 H GLY 77 11.136 10.460 5.123 606 HA2 GLY 77 2HA GLY 77 9.953 12.448 5.334 607 HA3 GLY 77 3HA GLY 77 10.321 12.873 3.673 608 H VAL 78 H VAL 78 9.191 9.796 3.541 609 HA VAL 78 HA VAL 78 6.580 10.567 2.567 610 HB VAL 78 HB VAL 78 7.878 7.814 2.820 611 HG11 VAL 78 1HG1 VAL 78 5.410 7.632 2.807 612 HG12 VAL 78 2HG1 VAL 78 6.097 7.004 1.313 613 HG13 VAL 78 3HG1 VAL 78 5.337 8.597 1.329 614 HG21 VAL 78 3HG2 VAL 78 7.573 9.613 0.375 615 HG22 VAL 78 1HG2 VAL 78 8.262 7.986 0.375 616 HG23 VAL 78 2HG2 VAL 78 9.079 9.291 1.238 617 H SER 79 H SER 79 4.900 10.797 3.889 618 HA SER 79 HA SER 79 4.790 9.689 6.566 619 HB2 SER 79 2HB SER 79 2.732 11.324 5.011 620 HB3 SER 79 3HB SER 79 2.705 10.995 6.747 621 HG SER 79 HG SER 79 5.078 12.058 5.917 622 H TYR 80 H TYR 80 4.645 7.457 6.282 623 HA TYR 80 HA TYR 80 2.605 6.278 4.573 624 HB2 TYR 80 2HB TYR 80 3.549 4.122 5.170 625 HB3 TYR 80 3HB TYR 80 4.855 5.225 4.769 626 HD1 TYR 80 HD2 TYR 80 6.160 6.317 6.754 627 HD2 TYR 80 HD1 TYR 80 3.576 2.947 7.243 628 HE1 TYR 80 HE2 TYR 80 7.250 5.782 8.881 629 HE2 TYR 80 HE1 TYR 80 4.675 2.417 9.367 630 HH TYR 80 HH TYR 80 6.910 4.585 10.877 631 H ASP 81 H ASP 81 0.960 4.874 5.340 632 HA ASP 81 HA ASP 81 0.014 5.335 8.108 633 HB2 ASP 81 2HB ASP 81 -1.180 6.714 6.256 634 HB3 ASP 81 3HB ASP 81 -1.810 5.184 5.667 635 H VAL 82 H VAL 82 -0.385 3.427 9.104 636 HA VAL 82 HA VAL 82 0.227 1.003 7.567 637 HB VAL 82 HB VAL 82 0.060 1.243 10.598 638 HG11 VAL 82 1HG1 VAL 82 1.490 -0.785 10.595 639 HG12 VAL 82 2HG1 VAL 82 1.447 -0.805 8.830 640 HG13 VAL 82 3HG1 VAL 82 -0.037 -1.070 9.748 641 HG21 VAL 82 3HG2 VAL 82 2.521 1.519 10.622 642 HG22 VAL 82 1HG2 VAL 82 1.732 2.861 9.785 643 HG23 VAL 82 2HG2 VAL 82 2.527 1.588 8.858 644 H LEU 83 H LEU 83 -1.293 -0.402 7.041 645 HA LEU 83 HA LEU 83 -3.793 -0.661 8.586 646 HB2 LEU 83 2HB LEU 83 -4.309 0.715 6.633 647 HB3 LEU 83 3HB LEU 83 -3.479 -0.408 5.569 648 HG LEU 83 HG LEU 83 -5.259 -2.146 6.146 649 HD11 LEU 83 1HD1 LEU 83 -6.045 -1.234 8.262 650 HD12 LEU 83 2HD1 LEU 83 -7.379 -1.407 7.124 651 HD13 LEU 83 3HD1 LEU 83 -6.692 0.189 7.442 652 HD21 LEU 83 3HD2 LEU 83 -5.326 -0.926 4.043 653 HD22 LEU 83 1HD2 LEU 83 -6.222 0.394 4.802 654 HD23 LEU 83 2HD2 LEU 83 -6.958 -1.204 4.646 655 H LYS 84 H LYS 84 -3.834 -2.731 9.295 656 HA LYS 84 HA LYS 84 -3.134 -4.919 7.414 657 HB2 LYS 84 2HB LYS 84 -2.984 -4.850 10.452 658 HB3 LYS 84 3HB LYS 84 -3.092 -6.370 9.582 659 HG2 LYS 84 2HG LYS 84 -0.806 -6.079 10.083 660 HG3 LYS 84 3HG LYS 84 -0.969 -5.703 8.370 661 HD2 LYS 84 2HD LYS 84 0.516 -4.093 9.414 662 HD3 LYS 84 3HD LYS 84 -0.969 -3.273 8.927 663 HE2 LYS 84 2HE LYS 84 -0.224 -2.552 11.165 664 HE3 LYS 84 3HE LYS 84 -1.787 -3.362 11.251 665 HZ1 LYS 84 3HZ LYS 84 -0.655 -5.370 11.976 666 HZ2 LYS 84 1HZ LYS 84 -0.313 -4.081 13.013 667 HZ3 LYS 84 2HZ LYS 84 0.841 -4.587 11.888 668 H SER 85 H SER 85 -4.870 -5.926 6.636 669 HA SER 85 HA SER 85 -6.934 -6.941 8.325 670 HB2 SER 85 2HB SER 85 -7.919 -4.692 8.102 671 HB3 SER 85 3HB SER 85 -7.774 -4.767 6.349 672 HG SER 85 HG SER 85 -9.486 -6.241 8.056 673 H THR 86 H THR 86 -8.123 -8.546 7.284 674 HA THR 86 HA THR 86 -7.203 -9.352 4.582 675 HB THR 86 HB THR 86 -7.673 -11.704 5.341 676 HG1 THR 86 HG1 THR 86 -7.672 -11.098 8.030 677 HG21 THR 86 3HG2 THR 86 -5.363 -10.845 5.535 678 HG22 THR 86 1HG2 THR 86 -5.727 -11.951 6.863 679 HG23 THR 86 2HG2 THR 86 -5.723 -10.206 7.139 680 H ASP 87 H ASP 87 -9.709 -7.773 5.831 681 HA ASP 87 HA ASP 87 -11.900 -9.344 4.645 682 HB2 ASP 87 2HB ASP 87 -12.028 -6.629 6.039 683 HB3 ASP 87 3HB ASP 87 -13.406 -7.618 5.571 684 HA PRO 88 HA PRO 88 -11.485 -7.116 0.669 685 HB2 PRO 88 2HB PRO 88 -14.388 -7.880 0.429 686 HB3 PRO 88 3HB PRO 88 -13.053 -8.151 -0.711 687 HG2 PRO 88 2HG PRO 88 -14.066 -10.143 0.767 688 HG3 PRO 88 3HG PRO 88 -12.341 -10.058 0.355 689 HD2 PRO 88 2HD PRO 88 -13.676 -9.492 2.970 690 HD3 PRO 88 3HD PRO 88 -12.058 -10.154 2.647 691 H GLU 89 H GLU 89 -14.529 -6.792 2.535 692 HA GLU 89 HA GLU 89 -15.368 -4.332 1.469 693 HB2 GLU 89 2HB GLU 89 -16.992 -4.235 3.266 694 HB3 GLU 89 3HB GLU 89 -16.836 -5.907 2.745 695 HG2 GLU 89 2HG GLU 89 -15.368 -6.354 4.724 696 HG3 GLU 89 3HG GLU 89 -15.626 -4.695 5.259 697 H GLU 90 H GLU 90 -13.303 -5.049 4.250 698 HA GLU 90 HA GLU 90 -13.231 -2.468 5.414 699 HB2 GLU 90 2HB GLU 90 -12.613 -4.570 6.620 700 HB3 GLU 90 3HB GLU 90 -11.188 -4.720 5.601 701 HG2 GLU 90 2HG GLU 90 -10.429 -3.808 7.671 702 HG3 GLU 90 3HG GLU 90 -10.403 -2.477 6.514 703 H LEU 91 H LEU 91 -10.863 -4.244 3.408 704 HA LEU 91 HA LEU 91 -8.961 -2.182 3.223 705 HB2 LEU 91 2HB LEU 91 -9.477 -4.526 1.363 706 HB3 LEU 91 3HB LEU 91 -8.046 -3.517 1.300 707 HG LEU 91 HG LEU 91 -8.840 -5.356 3.591 708 HD11 LEU 91 1HD1 LEU 91 -6.876 -6.675 2.965 709 HD12 LEU 91 2HD1 LEU 91 -6.554 -5.589 1.610 710 HD13 LEU 91 3HD1 LEU 91 -8.021 -6.573 1.627 711 HD21 LEU 91 3HD2 LEU 91 -7.731 -3.376 4.485 712 HD22 LEU 91 1HD2 LEU 91 -6.401 -3.564 3.339 713 HD23 LEU 91 2HD2 LEU 91 -6.665 -4.772 4.600 714 H THR 92 H THR 92 -11.719 -3.004 1.113 715 HA THR 92 HA THR 92 -11.102 -1.303 -1.063 716 HB THR 92 HB THR 92 -13.814 -2.420 -0.222 717 HG1 THR 92 HG1 THR 92 -11.976 -3.873 -0.800 718 HG21 THR 92 3HG2 THR 92 -12.957 -1.253 -2.902 719 HG22 THR 92 1HG2 THR 92 -14.125 -0.527 -1.794 720 HG23 THR 92 2HG2 THR 92 -14.492 -2.062 -2.585 721 H GLN 93 H GLN 93 -13.162 -0.797 1.838 722 HA GLN 93 HA GLN 93 -13.943 1.836 1.064 723 HB2 GLN 93 2HB GLN 93 -15.018 2.060 3.169 724 HB3 GLN 93 3HB GLN 93 -15.216 0.383 2.707 725 HG2 GLN 93 2HG GLN 93 -14.538 -0.153 4.794 726 HG3 GLN 93 3HG GLN 93 -12.923 0.308 4.302 727 HE21 GLN 93 1HE2 GLN 93 -12.132 2.380 4.902 728 HE22 GLN 93 2HE2 GLN 93 -12.823 3.247 6.220 729 H ARG 94 H ARG 94 -11.194 0.525 2.923 730 HA ARG 94 HA ARG 94 -10.251 2.989 3.983 731 HB2 ARG 94 2HB ARG 94 -8.677 0.464 3.345 732 HB3 ARG 94 3HB ARG 94 -8.054 1.817 4.287 733 HG2 ARG 94 2HG ARG 94 -10.449 0.130 5.058 734 HG3 ARG 94 3HG ARG 94 -8.820 -0.096 5.685 735 HD2 ARG 94 2HD ARG 94 -8.893 1.993 6.864 736 HD3 ARG 94 3HD ARG 94 -10.344 2.517 5.995 737 HE ARG 94 HE ARG 94 -10.866 0.101 7.372 738 HH11 ARG 94 1HH1 ARG 94 -10.387 3.517 8.090 739 HH12 ARG 94 2HH1 ARG 94 -11.352 3.455 9.527 740 HH21 ARG 94 1HH2 ARG 94 -12.168 0.063 9.188 741 HH22 ARG 94 2HH2 ARG 94 -12.374 1.488 10.157 742 H VAL 95 H VAL 95 -9.753 1.453 0.826 743 HA VAL 95 HA VAL 95 -7.639 3.075 -0.114 744 HB VAL 95 HB VAL 95 -9.848 1.748 -1.755 745 HG11 VAL 95 1HG1 VAL 95 -8.755 3.530 -3.065 746 HG12 VAL 95 2HG1 VAL 95 -8.285 1.948 -3.689 747 HG13 VAL 95 3HG1 VAL 95 -7.165 2.865 -2.679 748 HG21 VAL 95 3HG2 VAL 95 -8.554 0.105 -0.450 749 HG22 VAL 95 1HG2 VAL 95 -7.044 0.756 -1.091 750 HG23 VAL 95 2HG2 VAL 95 -8.186 -0.053 -2.166 751 H ARG 96 H ARG 96 -11.209 3.442 -0.533 752 HA ARG 96 HA ARG 96 -11.006 5.879 -1.989 753 HB2 ARG 96 2HB ARG 96 -13.460 6.119 -1.679 754 HB3 ARG 96 3HB ARG 96 -13.004 4.526 -2.265 755 HG2 ARG 96 2HG ARG 96 -13.359 3.553 -0.075 756 HG3 ARG 96 3HG ARG 96 -13.662 5.140 0.631 757 HD2 ARG 96 2HD ARG 96 -15.776 4.010 0.326 758 HD3 ARG 96 3HD ARG 96 -15.687 5.343 -0.829 759 HE ARG 96 HE ARG 96 -14.771 3.262 -2.281 760 HH11 ARG 96 1HH1 ARG 96 -17.698 3.589 -0.346 761 HH12 ARG 96 2HH1 ARG 96 -18.604 2.491 -1.335 762 HH21 ARG 96 1HH2 ARG 96 -15.998 1.879 -3.587 763 HH22 ARG 96 2HH2 ARG 96 -17.643 1.522 -3.172 764 H GLU 97 H GLU 97 -11.445 5.197 1.487 765 HA GLU 97 HA GLU 97 -11.944 7.862 2.333 766 HB2 GLU 97 2HB GLU 97 -10.675 5.593 3.935 767 HB3 GLU 97 3HB GLU 97 -11.302 7.092 4.617 768 HG2 GLU 97 2HG GLU 97 -12.875 4.850 3.332 769 HG3 GLU 97 3HG GLU 97 -12.902 5.343 5.015 770 H PHE 98 H PHE 98 -8.961 6.003 1.828 771 HA PHE 98 HA PHE 98 -7.149 7.922 2.900 772 HB2 PHE 98 2HB PHE 98 -6.423 5.593 2.677 773 HB3 PHE 98 3HB PHE 98 -6.663 5.641 0.933 774 HD1 PHE 98 HD1 PHE 98 -4.571 7.028 3.703 775 HD2 PHE 98 HD2 PHE 98 -4.918 6.466 -0.535 776 HE1 PHE 98 HE1 PHE 98 -2.261 7.818 3.393 777 HE2 PHE 98 HE2 PHE 98 -2.617 7.257 -0.820 778 HZ PHE 98 HZ PHE 98 -1.279 7.927 1.130 779 H LEU 99 H LEU 99 -8.066 7.104 -0.475 780 HA LEU 99 HA LEU 99 -6.558 9.022 -1.824 781 HB2 LEU 99 2HB LEU 99 -9.244 7.815 -2.596 782 HB3 LEU 99 3HB LEU 99 -8.258 8.776 -3.687 783 HG LEU 99 HG LEU 99 -7.498 6.066 -2.516 784 HD11 LEU 99 1HD1 LEU 99 -8.238 6.805 -5.362 785 HD12 LEU 99 2HD1 LEU 99 -9.238 5.891 -4.229 786 HD13 LEU 99 3HD1 LEU 99 -7.715 5.214 -4.799 787 HD21 LEU 99 3HD2 LEU 99 -5.527 6.154 -3.994 788 HD22 LEU 99 1HD2 LEU 99 -5.492 7.442 -2.792 789 HD23 LEU 99 2HD2 LEU 99 -5.939 7.806 -4.462 790 H LYS 100 H LYS 100 -9.606 9.285 -0.145 791 HA LYS 100 HA LYS 100 -10.453 11.816 -1.098 792 HB2 LYS 100 2HB LYS 100 -11.811 9.961 0.134 793 HB3 LYS 100 3HB LYS 100 -11.152 10.630 1.618 794 HG2 LYS 100 2HG LYS 100 -13.327 11.570 1.329 795 HG3 LYS 100 3HG LYS 100 -12.163 12.853 0.972 796 HD2 LYS 100 2HD LYS 100 -12.453 12.426 -1.462 797 HD3 LYS 100 3HD LYS 100 -13.627 11.157 -1.098 798 HE2 LYS 100 2HE LYS 100 -14.777 13.217 -1.736 799 HE3 LYS 100 3HE LYS 100 -15.095 12.857 -0.037 800 HZ1 LYS 100 3HZ LYS 100 -13.420 14.479 0.589 801 HZ2 LYS 100 1HZ LYS 100 -14.594 15.196 -0.393 802 HZ3 LYS 100 2HZ LYS 100 -13.082 14.801 -1.035 803 H THR 101 H THR 101 -8.832 10.845 1.980 804 HA THR 101 HA THR 101 -8.671 13.603 2.899 805 HB THR 101 HB THR 101 -9.188 11.792 4.508 806 HG1 THR 101 HG1 THR 101 -7.547 13.787 4.897 807 HG21 THR 101 3HG2 THR 101 -7.766 9.975 3.616 808 HG22 THR 101 1HG2 THR 101 -7.431 10.261 5.325 809 HG23 THR 101 2HG2 THR 101 -6.319 10.865 4.096 810 H ALA 102 H ALA 102 -6.461 11.343 1.429 811 HA ALA 102 HA ALA 102 -4.062 12.857 2.046 812 HB1 ALA 102 3HB ALA 102 -4.397 10.388 0.320 813 HB2 ALA 102 1HB ALA 102 -3.957 10.399 2.030 814 HB3 ALA 102 2HB ALA 102 -2.865 11.101 0.833 815 H GLY 103 H GLY 103 -6.137 12.141 -0.746 816 HA2 GLY 103 2HA GLY 103 -4.651 13.445 -2.773 817 HA3 GLY 103 3HA GLY 103 -6.373 13.083 -2.823 818 H SER 104 H SER 104 -7.532 14.543 -0.946 819 HA SER 104 HA SER 104 -7.009 17.355 -1.525 820 HB2 SER 104 2HB SER 104 -8.997 16.085 0.422 821 HB3 SER 104 3HB SER 104 -8.985 17.770 -0.102 822 HG SER 104 HG SER 104 -9.149 15.728 -2.009 823 H LEU 105 H LEU 105 -5.142 18.073 -0.551 824 HA LEU 105 HA LEU 105 -4.004 16.984 1.804 825 HB2 LEU 105 2HB LEU 105 -3.428 19.575 0.309 826 HB3 LEU 105 3HB LEU 105 -2.549 19.134 1.761 827 HG LEU 105 HG LEU 105 -1.185 18.562 -0.137 828 HD11 LEU 105 1HD1 LEU 105 -0.765 16.192 0.205 829 HD12 LEU 105 2HD1 LEU 105 -2.331 16.000 0.999 830 HD13 LEU 105 3HD1 LEU 105 -1.080 17.007 1.734 831 HD21 LEU 105 3HD2 LEU 105 -3.478 16.905 -1.239 832 HD22 LEU 105 1HD2 LEU 105 -1.853 17.025 -1.930 833 HD23 LEU 105 2HD2 LEU 105 -2.899 18.443 -1.881 834 H GLU 106 H GLU 106 -5.253 17.003 3.573 835 HA GLU 106 HA GLU 106 -6.333 19.547 4.636 836 HB2 GLU 106 2HB GLU 106 -7.843 17.325 3.921 837 HB3 GLU 106 3HB GLU 106 -7.512 16.943 5.602 838 HG2 GLU 106 2HG GLU 106 -8.977 19.361 4.502 839 HG3 GLU 106 3HG GLU 106 -9.663 18.038 5.440 840 H HIS 107 H HIS 107 -6.044 19.875 6.899 841 HA HIS 107 HA HIS 107 -3.683 18.649 8.037 842 HB2 HIS 107 2HB HIS 107 -3.691 20.360 9.658 843 HB3 HIS 107 3HB HIS 107 -4.366 21.152 8.244 844 HD1 HIS 107 HD1 HIS 107 -5.039 20.377 11.763 845 HD2 HIS 107 HD2 HIS 107 -7.261 21.599 8.487 846 HE1 HIS 107 HE1 HIS 107 -7.168 21.283 12.700 847 HE2 HIS 107 HE2 HIS 107 -8.578 21.825 10.682 848 H HIS 108 H HIS 108 -6.800 17.538 7.931 849 HA HIS 108 HA HIS 108 -7.145 16.361 10.487 850 HB2 HIS 108 2HB HIS 108 -8.397 16.049 7.814 851 HB3 HIS 108 3HB HIS 108 -8.364 14.549 8.721 852 HD1 HIS 108 HD1 HIS 108 -10.416 17.440 8.227 853 HD2 HIS 108 HD2 HIS 108 -9.534 14.984 11.458 854 HE1 HIS 108 HE1 HIS 108 -12.318 17.721 9.843 855 HE2 HIS 108 HE2 HIS 108 -11.660 16.382 11.865 856 H HIS 109 H HIS 109 -5.156 15.613 11.152 857 HA HIS 109 HA HIS 109 -3.945 13.272 9.859 858 HB2 HIS 109 2HB HIS 109 -3.179 14.871 12.345 859 HB3 HIS 109 3HB HIS 109 -2.321 13.426 11.821 860 HD1 HIS 109 HD1 HIS 109 -0.723 13.639 9.853 861 HD2 HIS 109 HD2 HIS 109 -2.733 17.161 10.729 862 HE1 HIS 109 HE1 HIS 109 0.459 15.433 8.561 863 HE2 HIS 109 HE2 HIS 109 -0.646 17.570 9.278 864 H HIS 110 H HIS 110 -5.669 14.217 12.795 865 HA HIS 110 HA HIS 110 -6.849 13.152 14.373 866 HB2 HIS 110 2HB HIS 110 -8.174 12.249 12.516 867 HB3 HIS 110 3HB HIS 110 -7.051 10.913 12.328 868 HD1 HIS 110 HD1 HIS 110 -8.004 8.833 13.228 869 HD2 HIS 110 HD2 HIS 110 -9.243 12.126 15.427 870 HE1 HIS 110 HE1 HIS 110 -9.527 7.924 15.003 871 HE2 HIS 110 HE2 HIS 110 -10.180 9.925 16.383 872 H HIS 111 H HIS 111 -5.085 13.146 15.776 873 HA HIS 111 HA HIS 111 -4.426 10.590 16.878 874 HB2 HIS 111 2HB HIS 111 -1.997 10.654 16.712 875 HB3 HIS 111 3HB HIS 111 -2.642 10.773 15.084 876 HD1 HIS 111 HD1 HIS 111 -0.334 12.408 17.366 877 HD2 HIS 111 HD2 HIS 111 -2.566 13.565 14.064 878 HE1 HIS 111 HE1 HIS 111 0.655 14.587 16.615 879 HE2 HIS 111 HE2 HIS 111 -0.582 15.145 14.496 880 H HIS 112 H HIS 112 -4.633 10.936 19.007 881 HA HIS 112 HA HIS 112 -3.250 13.081 20.360 882 HB2 HIS 112 2HB HIS 112 -6.280 13.060 20.226 883 HB3 HIS 112 3HB HIS 112 -5.492 13.630 21.692 884 HD1 HIS 112 HD1 HIS 112 -6.500 14.741 18.347 885 HD2 HIS 112 HD2 HIS 112 -3.736 15.930 21.206 886 HE1 HIS 112 HE1 HIS 112 -5.790 17.050 17.679 887 HE2 HIS 112 HE2 HIS 112 -4.013 17.685 19.347 Start of MODEL 18 1 H1 MET 1 1H MET 1 6.477 13.606 3.210 2 H2 MET 1 2H MET 1 6.003 15.224 3.285 3 H3 MET 1 3H MET 1 7.638 14.830 3.169 4 HA MET 1 HA MET 1 6.799 15.626 1.086 5 HB2 MET 1 2HB MET 1 8.614 13.893 1.191 6 HB3 MET 1 3HB MET 1 7.391 12.639 1.046 7 HG2 MET 1 2HG MET 1 8.344 12.865 -1.101 8 HG3 MET 1 3HG MET 1 6.782 13.667 -1.205 9 HE1 MET 1 3HE MET 1 7.651 17.330 -1.970 10 HE2 MET 1 1HE MET 1 6.856 16.630 -0.560 11 HE3 MET 1 2HE MET 1 6.492 16.016 -2.172 12 H GLY 2 H GLY 2 5.379 12.376 1.694 13 HA2 GLY 2 2HA GLY 2 2.689 13.270 0.959 14 HA3 GLY 2 3HA GLY 2 3.433 12.086 -0.118 15 H LYS 3 H LYS 3 1.216 11.173 0.907 16 HA LYS 3 HA LYS 3 1.937 9.485 3.240 17 HB2 LYS 3 2HB LYS 3 0.153 11.072 3.843 18 HB3 LYS 3 3HB LYS 3 -0.811 10.563 2.464 19 HG2 LYS 3 2HG LYS 3 -1.116 8.342 3.449 20 HG3 LYS 3 3HG LYS 3 -0.053 8.756 4.785 21 HD2 LYS 3 2HD LYS 3 -2.429 8.800 5.451 22 HD3 LYS 3 3HD LYS 3 -1.675 10.380 5.627 23 HE2 LYS 3 2HE LYS 3 -3.297 9.700 3.156 24 HE3 LYS 3 3HE LYS 3 -4.074 10.255 4.637 25 HZ1 LYS 3 3HZ LYS 3 -3.704 12.122 3.241 26 HZ2 LYS 3 1HZ LYS 3 -2.068 11.740 3.029 27 HZ3 LYS 3 2HZ LYS 3 -2.631 12.245 4.540 28 H VAL 4 H VAL 4 1.616 7.291 3.057 29 HA VAL 4 HA VAL 4 0.539 6.247 0.494 30 HB VAL 4 HB VAL 4 3.048 6.228 0.508 31 HG11 VAL 4 1HG1 VAL 4 3.464 5.901 2.884 32 HG12 VAL 4 2HG1 VAL 4 4.297 4.680 1.915 33 HG13 VAL 4 3HG1 VAL 4 2.815 4.260 2.778 34 HG21 VAL 4 3HG2 VAL 4 1.827 4.613 -0.874 35 HG22 VAL 4 1HG2 VAL 4 1.777 3.473 0.473 36 HG23 VAL 4 2HG2 VAL 4 3.323 3.899 -0.269 37 H LEU 5 H LEU 5 -0.681 4.341 0.641 38 HA LEU 5 HA LEU 5 -1.491 3.539 3.359 39 HB2 LEU 5 2HB LEU 5 -3.245 4.291 1.726 40 HB3 LEU 5 3HB LEU 5 -2.846 2.926 0.703 41 HG LEU 5 HG LEU 5 -3.583 1.360 2.512 42 HD11 LEU 5 1HD1 LEU 5 -3.128 2.748 4.466 43 HD12 LEU 5 2HD1 LEU 5 -4.798 2.184 4.468 44 HD13 LEU 5 3HD1 LEU 5 -4.430 3.851 4.013 45 HD21 LEU 5 3HD2 LEU 5 -5.996 1.744 2.306 46 HD22 LEU 5 1HD2 LEU 5 -5.176 2.006 0.768 47 HD23 LEU 5 2HD2 LEU 5 -5.700 3.388 1.733 48 H LEU 6 H LEU 6 0.060 2.092 3.961 49 HA LEU 6 HA LEU 6 0.926 -0.134 2.354 50 HB2 LEU 6 2HB LEU 6 2.375 0.891 4.071 51 HB3 LEU 6 3HB LEU 6 1.218 0.488 5.327 52 HG LEU 6 HG LEU 6 1.684 -1.938 4.975 53 HD11 LEU 6 1HD1 LEU 6 2.283 -1.921 2.619 54 HD12 LEU 6 2HD1 LEU 6 3.552 -2.675 3.581 55 HD13 LEU 6 3HD1 LEU 6 3.767 -1.028 2.977 56 HD21 LEU 6 3HD2 LEU 6 2.942 -0.712 6.682 57 HD22 LEU 6 1HD2 LEU 6 4.182 -0.294 5.497 58 HD23 LEU 6 2HD2 LEU 6 3.931 -1.979 5.963 59 H VAL 7 H VAL 7 -0.966 -1.206 1.756 60 HA VAL 7 HA VAL 7 -2.874 -2.243 3.671 61 HB VAL 7 HB VAL 7 -2.597 -2.919 0.701 62 HG11 VAL 7 1HG1 VAL 7 -4.964 -3.305 2.578 63 HG12 VAL 7 2HG1 VAL 7 -3.939 -4.586 1.926 64 HG13 VAL 7 3HG1 VAL 7 -4.960 -3.637 0.844 65 HG21 VAL 7 3HG2 VAL 7 -4.362 -1.241 0.294 66 HG22 VAL 7 1HG2 VAL 7 -2.920 -0.501 0.994 67 HG23 VAL 7 2HG2 VAL 7 -4.339 -0.794 2.003 68 H ILE 8 H ILE 8 -1.840 -3.639 5.017 69 HA ILE 8 HA ILE 8 -0.395 -5.973 3.986 70 HB ILE 8 HB ILE 8 -0.864 -5.088 6.874 71 HG12 ILE 8 2HG1 ILE 8 1.586 -4.763 5.079 72 HG13 ILE 8 3HG1 ILE 8 0.529 -3.469 5.626 73 HG21 ILE 8 1HG2 ILE 8 0.997 -7.244 5.789 74 HG22 ILE 8 2HG2 ILE 8 -0.486 -7.528 6.705 75 HG23 ILE 8 3HG2 ILE 8 0.885 -6.729 7.475 76 HD11 ILE 8 3HD1 ILE 8 1.245 -3.868 7.926 77 HD12 ILE 8 1HD1 ILE 8 2.590 -3.481 6.857 78 HD13 ILE 8 2HD1 ILE 8 2.325 -5.148 7.364 79 H SER 9 H SER 9 -1.658 -7.585 3.356 80 HA SER 9 HA SER 9 -3.705 -8.650 5.196 81 HB2 SER 9 2HB SER 9 -4.074 -8.655 2.182 82 HB3 SER 9 3HB SER 9 -5.270 -9.036 3.414 83 HG SER 9 HG SER 9 -4.839 -6.693 4.035 84 H THR 10 H THR 10 -3.458 -10.832 5.502 85 HA THR 10 HA THR 10 -1.195 -12.200 4.385 86 HB THR 10 HB THR 10 -3.445 -13.315 6.109 87 HG1 THR 10 HG1 THR 10 -1.832 -12.861 7.804 88 HG21 THR 10 3HG2 THR 10 -1.785 -15.001 6.828 89 HG22 THR 10 1HG2 THR 10 -0.595 -14.320 5.721 90 HG23 THR 10 2HG2 THR 10 -2.045 -15.100 5.083 91 H ASP 11 H ASP 11 -4.711 -12.410 3.984 92 HA ASP 11 HA ASP 11 -4.671 -14.543 2.050 93 HB2 ASP 11 2HB ASP 11 -6.891 -12.606 2.839 94 HB3 ASP 11 3HB ASP 11 -7.105 -13.989 1.767 95 H THR 12 H THR 12 -3.447 -14.001 0.301 96 HA THR 12 HA THR 12 -3.439 -11.596 -1.181 97 HB THR 12 HB THR 12 -2.384 -12.960 -3.008 98 HG1 THR 12 HG1 THR 12 -2.517 -15.249 -1.356 99 HG21 THR 12 3HG2 THR 12 -0.968 -12.163 -1.143 100 HG22 THR 12 1HG2 THR 12 -0.419 -13.733 -1.730 101 HG23 THR 12 2HG2 THR 12 -1.338 -13.629 -0.227 102 H ASN 13 H ASN 13 -5.668 -14.198 -1.077 103 HA ASN 13 HA ASN 13 -7.010 -13.995 -3.546 104 HB2 ASN 13 2HB ASN 13 -8.250 -14.776 -0.864 105 HB3 ASN 13 3HB ASN 13 -8.791 -15.267 -2.467 106 HD21 ASN 13 1HD2 ASN 13 -7.654 -16.945 -3.551 107 HD22 ASN 13 2HD2 ASN 13 -6.500 -17.935 -2.725 108 H ILE 14 H ILE 14 -7.592 -12.462 -0.379 109 HA ILE 14 HA ILE 14 -9.858 -10.915 -1.135 110 HB ILE 14 HB ILE 14 -7.914 -10.412 1.167 111 HG12 ILE 14 2HG1 ILE 14 -8.937 -12.683 1.306 112 HG13 ILE 14 3HG1 ILE 14 -9.475 -11.648 2.619 113 HG21 ILE 14 1HG2 ILE 14 -10.745 -9.384 0.756 114 HG22 ILE 14 2HG2 ILE 14 -9.266 -8.426 0.684 115 HG23 ILE 14 3HG2 ILE 14 -9.773 -9.145 2.212 116 HD11 ILE 14 3HD1 ILE 14 -11.278 -13.016 1.791 117 HD12 ILE 14 1HD1 ILE 14 -11.070 -12.383 0.160 118 HD13 ILE 14 2HD1 ILE 14 -11.624 -11.319 1.459 119 H ILE 15 H ILE 15 -6.369 -10.216 -0.850 120 HA ILE 15 HA ILE 15 -6.299 -7.508 -1.509 121 HB ILE 15 HB ILE 15 -4.223 -9.622 -2.272 122 HG12 ILE 15 2HG1 ILE 15 -4.393 -7.827 0.186 123 HG13 ILE 15 3HG1 ILE 15 -4.705 -9.559 0.158 124 HG21 ILE 15 1HG2 ILE 15 -3.876 -7.552 -3.561 125 HG22 ILE 15 2HG2 ILE 15 -2.603 -7.731 -2.355 126 HG23 ILE 15 3HG2 ILE 15 -3.924 -6.597 -2.078 127 HD11 ILE 15 3HD1 ILE 15 -2.369 -9.956 -0.466 128 HD12 ILE 15 1HD1 ILE 15 -2.528 -9.096 1.065 129 HD13 ILE 15 2HD1 ILE 15 -2.064 -8.217 -0.391 130 H SER 16 H SER 16 -6.215 -10.353 -3.628 131 HA SER 16 HA SER 16 -5.795 -9.167 -6.101 132 HB2 SER 16 2HB SER 16 -5.703 -11.607 -5.722 133 HB3 SER 16 3HB SER 16 -7.440 -11.650 -5.428 134 HG SER 16 HG SER 16 -7.820 -11.432 -7.526 135 H SER 17 H SER 17 -8.862 -9.868 -4.414 136 HA SER 17 HA SER 17 -10.627 -8.941 -6.413 137 HB2 SER 17 2HB SER 17 -11.195 -9.026 -3.415 138 HB3 SER 17 3HB SER 17 -12.348 -9.217 -4.741 139 HG SER 17 HG SER 17 -10.850 -11.081 -3.519 140 H VAL 18 H VAL 18 -9.590 -7.379 -3.366 141 HA VAL 18 HA VAL 18 -11.033 -4.975 -3.641 142 HB VAL 18 HB VAL 18 -8.512 -5.578 -2.022 143 HG11 VAL 18 1HG1 VAL 18 -10.375 -3.181 -1.755 144 HG12 VAL 18 2HG1 VAL 18 -8.706 -3.135 -2.327 145 HG13 VAL 18 3HG1 VAL 18 -9.051 -3.580 -0.658 146 HG21 VAL 18 3HG2 VAL 18 -10.072 -5.849 -0.120 147 HG22 VAL 18 1HG2 VAL 18 -10.447 -6.980 -1.424 148 HG23 VAL 18 2HG2 VAL 18 -11.439 -5.537 -1.193 149 H GLN 19 H GLN 19 -7.718 -5.814 -4.503 150 HA GLN 19 HA GLN 19 -6.791 -3.236 -5.166 151 HB2 GLN 19 2HB GLN 19 -5.292 -5.139 -4.633 152 HB3 GLN 19 3HB GLN 19 -5.773 -5.944 -6.121 153 HG2 GLN 19 2HG GLN 19 -4.814 -4.001 -7.390 154 HG3 GLN 19 3HG GLN 19 -4.226 -3.354 -5.865 155 HE21 GLN 19 1HE2 GLN 19 -3.424 -5.929 -4.741 156 HE22 GLN 19 2HE2 GLN 19 -2.027 -6.419 -5.626 157 H GLU 20 H GLU 20 -8.013 -5.931 -7.236 158 HA GLU 20 HA GLU 20 -7.734 -4.480 -9.656 159 HB2 GLU 20 2HB GLU 20 -8.885 -6.282 -10.749 160 HB3 GLU 20 3HB GLU 20 -7.823 -6.953 -9.535 161 HG2 GLU 20 2HG GLU 20 -9.630 -8.300 -9.185 162 HG3 GLU 20 3HG GLU 20 -10.046 -6.995 -8.081 163 H ARG 21 H ARG 21 -10.470 -4.904 -7.410 164 HA ARG 21 HA ARG 21 -12.445 -3.389 -8.664 165 HB2 ARG 21 2HB ARG 21 -11.794 -3.689 -5.703 166 HB3 ARG 21 3HB ARG 21 -13.176 -2.754 -6.249 167 HG2 ARG 21 2HG ARG 21 -12.760 -5.723 -6.720 168 HG3 ARG 21 3HG ARG 21 -13.811 -5.011 -5.496 169 HD2 ARG 21 2HD ARG 21 -15.073 -3.896 -7.431 170 HD3 ARG 21 3HD ARG 21 -14.140 -4.932 -8.514 171 HE ARG 21 HE ARG 21 -16.379 -5.674 -6.867 172 HH11 ARG 21 1HH1 ARG 21 -13.520 -7.007 -8.420 173 HH12 ARG 21 2HH1 ARG 21 -14.157 -8.616 -8.483 174 HH21 ARG 21 1HH2 ARG 21 -17.204 -7.775 -7.011 175 HH22 ARG 21 2HH2 ARG 21 -16.241 -9.047 -7.686 176 H ALA 22 H ALA 22 -9.637 -2.364 -6.797 177 HA ALA 22 HA ALA 22 -10.365 0.364 -6.489 178 HB1 ALA 22 3HB ALA 22 -7.634 -0.933 -6.219 179 HB2 ALA 22 1HB ALA 22 -8.842 -0.796 -4.939 180 HB3 ALA 22 2HB ALA 22 -8.098 0.659 -5.608 181 H LYS 23 H LYS 23 -8.270 -1.321 -8.930 182 HA LYS 23 HA LYS 23 -7.693 1.194 -10.270 183 HB2 LYS 23 2HB LYS 23 -7.183 -1.660 -11.169 184 HB3 LYS 23 3HB LYS 23 -6.848 -0.273 -12.191 185 HG2 LYS 23 2HG LYS 23 -4.751 -0.670 -11.284 186 HG3 LYS 23 3HG LYS 23 -5.372 0.564 -10.190 187 HD2 LYS 23 2HD LYS 23 -4.264 -1.168 -8.907 188 HD3 LYS 23 3HD LYS 23 -5.999 -1.233 -8.576 189 HE2 LYS 23 2HE LYS 23 -5.170 -3.492 -8.842 190 HE3 LYS 23 3HE LYS 23 -6.186 -3.125 -10.228 191 HZ1 LYS 23 3HZ LYS 23 -4.230 -4.256 -10.947 192 HZ2 LYS 23 1HZ LYS 23 -3.219 -3.167 -10.140 193 HZ3 LYS 23 2HZ LYS 23 -4.119 -2.653 -11.473 194 H HIS 24 H HIS 24 -10.209 -1.273 -10.597 195 HA HIS 24 HA HIS 24 -11.208 -0.418 -13.150 196 HB2 HIS 24 2HB HIS 24 -12.594 -1.954 -10.911 197 HB3 HIS 24 3HB HIS 24 -13.333 -1.646 -12.478 198 HD1 HIS 24 HD1 HIS 24 -10.776 -2.382 -14.217 199 HD2 HIS 24 HD2 HIS 24 -12.399 -4.674 -11.165 200 HE1 HIS 24 HE1 HIS 24 -10.015 -4.730 -14.664 201 HE2 HIS 24 HE2 HIS 24 -11.001 -6.091 -12.782 202 H ASN 25 H ASN 25 -11.911 0.442 -9.803 203 HA ASN 25 HA ASN 25 -14.174 2.169 -10.446 204 HB2 ASN 25 2HB ASN 25 -14.171 0.724 -8.403 205 HB3 ASN 25 3HB ASN 25 -12.790 1.617 -7.772 206 HD21 ASN 25 1HD2 ASN 25 -13.866 2.311 -5.948 207 HD22 ASN 25 2HD2 ASN 25 -15.165 3.449 -5.974 208 H TYR 26 H TYR 26 -10.759 2.451 -9.622 209 HA TYR 26 HA TYR 26 -10.896 5.409 -9.911 210 HB2 TYR 26 2HB TYR 26 -8.848 3.840 -8.289 211 HB3 TYR 26 3HB TYR 26 -8.971 5.584 -8.433 212 HD1 TYR 26 HD1 TYR 26 -10.895 6.804 -7.354 213 HD2 TYR 26 HD2 TYR 26 -10.205 2.638 -6.691 214 HE1 TYR 26 HE1 TYR 26 -12.343 6.873 -5.374 215 HE2 TYR 26 HE2 TYR 26 -11.650 2.711 -4.717 216 HH TYR 26 HH TYR 26 -13.655 5.409 -4.027 217 HA PRO 27 HA PRO 27 -8.249 3.868 -13.398 218 HB2 PRO 27 2HB PRO 27 -9.250 5.524 -15.334 219 HB3 PRO 27 3HB PRO 27 -10.060 4.014 -14.864 220 HG2 PRO 27 2HG PRO 27 -10.709 6.826 -14.043 221 HG3 PRO 27 3HG PRO 27 -11.806 5.507 -14.511 222 HD2 PRO 27 2HD PRO 27 -11.310 6.187 -11.891 223 HD3 PRO 27 3HD PRO 27 -11.772 4.550 -12.402 224 H GLY 28 H GLY 28 -8.827 6.996 -11.972 225 HA2 GLY 28 2HA GLY 28 -6.476 8.241 -13.256 226 HA3 GLY 28 3HA GLY 28 -7.734 9.059 -12.342 227 H ARG 29 H ARG 29 -6.699 6.227 -10.761 228 HA ARG 29 HA ARG 29 -4.904 7.778 -8.983 229 HB2 ARG 29 2HB ARG 29 -6.643 5.363 -8.342 230 HB3 ARG 29 3HB ARG 29 -5.524 6.121 -7.209 231 HG2 ARG 29 2HG ARG 29 -7.925 7.484 -8.464 232 HG3 ARG 29 3HG ARG 29 -7.888 6.780 -6.850 233 HD2 ARG 29 2HD ARG 29 -6.074 8.406 -6.238 234 HD3 ARG 29 3HD ARG 29 -6.262 9.151 -7.835 235 HE ARG 29 HE ARG 29 -8.780 9.046 -6.624 236 HH11 ARG 29 1HH1 ARG 29 -5.723 10.736 -6.109 237 HH12 ARG 29 2HH1 ARG 29 -6.485 12.109 -5.363 238 HH21 ARG 29 1HH2 ARG 29 -9.752 10.822 -5.674 239 HH22 ARG 29 2HH2 ARG 29 -8.785 12.155 -5.117 240 H GLU 30 H GLU 30 -2.990 6.946 -8.410 241 HA GLU 30 HA GLU 30 -1.851 4.842 -10.105 242 HB2 GLU 30 2HB GLU 30 -0.447 6.879 -8.304 243 HB3 GLU 30 3HB GLU 30 0.328 5.805 -9.459 244 HG2 GLU 30 2HG GLU 30 0.284 8.035 -10.381 245 HG3 GLU 30 3HG GLU 30 -0.801 7.012 -11.316 246 H ILE 31 H ILE 31 -1.861 2.856 -9.185 247 HA ILE 31 HA ILE 31 -1.509 2.594 -6.244 248 HB ILE 31 HB ILE 31 -3.167 0.790 -8.073 249 HG12 ILE 31 2HG1 ILE 31 -4.071 2.767 -5.922 250 HG13 ILE 31 3HG1 ILE 31 -4.243 3.012 -7.655 251 HG21 ILE 31 1HG2 ILE 31 -2.719 0.694 -5.069 252 HG22 ILE 31 2HG2 ILE 31 -2.121 -0.475 -6.248 253 HG23 ILE 31 3HG2 ILE 31 -3.857 -0.329 -5.957 254 HD11 ILE 31 3HD1 ILE 31 -6.330 2.354 -6.659 255 HD12 ILE 31 1HD1 ILE 31 -5.607 0.876 -6.024 256 HD13 ILE 31 2HD1 ILE 31 -5.765 1.107 -7.770 257 H ARG 32 H ARG 32 -0.081 1.079 -5.534 258 HA ARG 32 HA ARG 32 1.615 -0.341 -7.503 259 HB2 ARG 32 2HB ARG 32 2.368 1.074 -4.910 260 HB3 ARG 32 3HB ARG 32 3.458 -0.001 -5.776 261 HG2 ARG 32 2HG ARG 32 2.296 2.580 -6.878 262 HG3 ARG 32 3HG ARG 32 3.935 2.366 -6.253 263 HD2 ARG 32 2HD ARG 32 4.342 0.660 -8.046 264 HD3 ARG 32 3HD ARG 32 2.735 1.010 -8.694 265 HE ARG 32 HE ARG 32 4.558 3.272 -8.427 266 HH11 ARG 32 1HH1 ARG 32 3.266 0.818 -10.613 267 HH12 ARG 32 2HH1 ARG 32 3.712 1.699 -12.041 268 HH21 ARG 32 1HH2 ARG 32 5.114 4.398 -10.328 269 HH22 ARG 32 2HH2 ARG 32 4.748 3.708 -11.879 270 H THR 33 H THR 33 2.679 -2.257 -6.655 271 HA THR 33 HA THR 33 1.579 -3.530 -4.250 272 HB THR 33 HB THR 33 1.653 -4.919 -6.976 273 HG1 THR 33 HG1 THR 33 -0.338 -3.560 -5.588 274 HG21 THR 33 3HG2 THR 33 0.627 -5.932 -4.290 275 HG22 THR 33 1HG2 THR 33 2.099 -6.484 -5.100 276 HG23 THR 33 2HG2 THR 33 0.522 -6.792 -5.827 277 H ALA 34 H ALA 34 3.311 -4.122 -3.069 278 HA ALA 34 HA ALA 34 5.974 -4.186 -4.221 279 HB1 ALA 34 3HB ALA 34 6.746 -4.461 -1.911 280 HB2 ALA 34 1HB ALA 34 5.084 -4.704 -1.370 281 HB3 ALA 34 2HB ALA 34 5.576 -3.144 -2.027 282 H THR 35 H THR 35 6.438 -5.930 -5.378 283 HA THR 35 HA THR 35 5.693 -8.652 -4.626 284 HB THR 35 HB THR 35 7.362 -7.634 -6.969 285 HG1 THR 35 HG1 THR 35 4.869 -7.213 -6.595 286 HG21 THR 35 3HG2 THR 35 6.026 -10.350 -6.591 287 HG22 THR 35 1HG2 THR 35 7.772 -10.044 -6.531 288 HG23 THR 35 2HG2 THR 35 6.883 -9.816 -8.034 289 H SER 36 H SER 36 8.401 -6.476 -4.395 290 HA SER 36 HA SER 36 9.852 -8.316 -2.677 291 HB2 SER 36 2HB SER 36 11.977 -8.100 -4.000 292 HB3 SER 36 3HB SER 36 10.719 -8.944 -4.903 293 HG SER 36 HG SER 36 10.265 -6.940 -5.936 294 H SER 37 H SER 37 11.986 -7.132 -1.954 295 HA SER 37 HA SER 37 11.267 -4.674 -0.709 296 HB2 SER 37 2HB SER 37 13.627 -4.715 0.186 297 HB3 SER 37 3HB SER 37 12.739 -6.212 0.474 298 HG SER 37 HG SER 37 14.101 -7.254 -0.746 299 H GLN 38 H GLN 38 12.852 -5.427 -3.710 300 HA GLN 38 HA GLN 38 14.114 -2.941 -4.232 301 HB2 GLN 38 2HB GLN 38 14.603 -4.932 -5.578 302 HB3 GLN 38 3HB GLN 38 12.937 -5.019 -6.123 303 HG2 GLN 38 2HG GLN 38 14.358 -4.164 -7.900 304 HG3 GLN 38 3HG GLN 38 13.230 -2.915 -7.381 305 HE21 GLN 38 1HE2 GLN 38 16.577 -3.939 -7.403 306 HE22 GLN 38 2HE2 GLN 38 17.251 -2.396 -7.000 307 H ASP 39 H ASP 39 10.824 -4.191 -4.885 308 HA ASP 39 HA ASP 39 9.724 -1.929 -6.143 309 HB2 ASP 39 2HB ASP 39 8.346 -4.017 -4.395 310 HB3 ASP 39 3HB ASP 39 7.478 -2.796 -5.324 311 H ILE 40 H ILE 40 9.858 -2.852 -2.721 312 HA ILE 40 HA ILE 40 8.413 -0.937 -1.415 313 HB ILE 40 HB ILE 40 11.049 -2.257 -0.687 314 HG12 ILE 40 2HG1 ILE 40 9.084 -3.767 -0.833 315 HG13 ILE 40 3HG1 ILE 40 9.701 -3.679 0.809 316 HG21 ILE 40 1HG2 ILE 40 10.744 -1.539 1.671 317 HG22 ILE 40 2HG2 ILE 40 9.428 -0.482 1.154 318 HG23 ILE 40 3HG2 ILE 40 11.069 -0.198 0.571 319 HD11 ILE 40 3HD1 ILE 40 7.859 -2.181 1.412 320 HD12 ILE 40 1HD1 ILE 40 7.294 -3.724 0.775 321 HD13 ILE 40 2HD1 ILE 40 7.245 -2.285 -0.242 322 H ARG 41 H ARG 41 11.896 -0.617 -2.264 323 HA ARG 41 HA ARG 41 12.082 2.083 -1.303 324 HB2 ARG 41 2HB ARG 41 14.104 0.650 -3.066 325 HB3 ARG 41 3HB ARG 41 14.393 2.032 -2.008 326 HG2 ARG 41 2HG ARG 41 13.859 0.548 -0.036 327 HG3 ARG 41 3HG ARG 41 13.757 -0.815 -1.157 328 HD2 ARG 41 2HD ARG 41 16.169 -0.112 -1.875 329 HD3 ARG 41 3HD ARG 41 16.186 0.811 -0.369 330 HE ARG 41 HE ARG 41 16.265 -2.060 -0.703 331 HH11 ARG 41 1HH1 ARG 41 15.774 0.519 1.656 332 HH12 ARG 41 2HH1 ARG 41 16.108 -0.522 3.001 333 HH21 ARG 41 1HH2 ARG 41 16.683 -3.375 1.076 334 HH22 ARG 41 2HH2 ARG 41 16.622 -2.712 2.678 335 H ASP 42 H ASP 42 11.546 0.591 -4.440 336 HA ASP 42 HA ASP 42 12.020 2.795 -6.156 337 HB2 ASP 42 2HB ASP 42 11.891 0.542 -7.081 338 HB3 ASP 42 3HB ASP 42 10.270 0.309 -6.443 339 H ILE 43 H ILE 43 9.102 1.670 -4.478 340 HA ILE 43 HA ILE 43 7.255 3.495 -5.661 341 HB ILE 43 HB ILE 43 7.029 1.903 -3.061 342 HG12 ILE 43 2HG1 ILE 43 5.736 1.211 -5.739 343 HG13 ILE 43 3HG1 ILE 43 7.314 0.588 -5.280 344 HG21 ILE 43 1HG2 ILE 43 4.570 2.253 -3.305 345 HG22 ILE 43 2HG2 ILE 43 4.878 3.349 -4.645 346 HG23 ILE 43 3HG2 ILE 43 5.444 3.758 -3.024 347 HD11 ILE 43 3HD1 ILE 43 4.731 0.093 -3.797 348 HD12 ILE 43 1HD1 ILE 43 6.322 -0.527 -3.342 349 HD13 ILE 43 2HD1 ILE 43 5.573 -1.040 -4.853 350 H ILE 44 H ILE 44 9.014 3.442 -2.556 351 HA ILE 44 HA ILE 44 7.977 5.896 -1.540 352 HB ILE 44 HB ILE 44 10.460 4.289 -0.789 353 HG12 ILE 44 2HG1 ILE 44 7.712 4.486 0.539 354 HG13 ILE 44 3HG1 ILE 44 8.246 3.154 -0.479 355 HG21 ILE 44 1HG2 ILE 44 9.213 6.613 0.737 356 HG22 ILE 44 2HG2 ILE 44 10.792 6.620 -0.051 357 HG23 ILE 44 3HG2 ILE 44 10.507 5.573 1.340 358 HD11 ILE 44 3HD1 ILE 44 8.350 2.573 1.852 359 HD12 ILE 44 1HD1 ILE 44 9.427 3.931 2.180 360 HD13 ILE 44 2HD1 ILE 44 9.967 2.601 1.150 361 H LYS 45 H LYS 45 10.748 5.061 -3.561 362 HA LYS 45 HA LYS 45 11.966 7.626 -3.643 363 HB2 LYS 45 2HB LYS 45 13.115 5.520 -4.310 364 HB3 LYS 45 3HB LYS 45 12.084 5.418 -5.731 365 HG2 LYS 45 2HG LYS 45 13.110 7.353 -6.729 366 HG3 LYS 45 3HG LYS 45 13.909 7.784 -5.215 367 HD2 LYS 45 2HD LYS 45 15.506 6.804 -6.819 368 HD3 LYS 45 3HD LYS 45 15.355 5.805 -5.371 369 HE2 LYS 45 2HE LYS 45 15.427 4.375 -7.335 370 HE3 LYS 45 3HE LYS 45 13.810 4.285 -6.638 371 HZ1 LYS 45 3HZ LYS 45 13.666 4.477 -9.000 372 HZ2 LYS 45 1HZ LYS 45 14.641 5.850 -9.018 373 HZ3 LYS 45 2HZ LYS 45 13.102 5.918 -8.329 374 H SER 46 H SER 46 9.336 6.122 -5.447 375 HA SER 46 HA SER 46 8.899 8.242 -7.327 376 HB2 SER 46 2HB SER 46 8.118 5.938 -7.759 377 HB3 SER 46 3HB SER 46 7.036 6.018 -6.370 378 HG SER 46 HG SER 46 6.555 8.108 -7.985 379 H MET 47 H MET 47 7.692 7.498 -4.086 380 HA MET 47 HA MET 47 5.632 9.398 -3.825 381 HB2 MET 47 2HB MET 47 7.540 8.235 -1.751 382 HB3 MET 47 3HB MET 47 6.189 9.275 -1.322 383 HG2 MET 47 2HG MET 47 5.870 6.645 -2.783 384 HG3 MET 47 3HG MET 47 5.776 6.815 -1.030 385 HE1 MET 47 3HE MET 47 2.606 9.026 -0.572 386 HE2 MET 47 1HE MET 47 4.295 9.533 -0.588 387 HE3 MET 47 2HE MET 47 3.825 8.046 0.242 388 H LYS 48 H LYS 48 9.131 9.627 -3.351 389 HA LYS 48 HA LYS 48 9.125 12.426 -2.596 390 HB2 LYS 48 2HB LYS 48 11.375 10.526 -3.341 391 HB3 LYS 48 3HB LYS 48 11.618 12.166 -2.739 392 HG2 LYS 48 2HG LYS 48 10.630 11.591 -0.596 393 HG3 LYS 48 3HG LYS 48 10.193 9.979 -1.179 394 HD2 LYS 48 2HD LYS 48 13.054 11.007 -1.015 395 HD3 LYS 48 3HD LYS 48 12.280 10.054 0.245 396 HE2 LYS 48 2HE LYS 48 12.043 8.155 -1.245 397 HE3 LYS 48 3HE LYS 48 12.618 9.108 -2.614 398 HZ1 LYS 48 3HZ LYS 48 14.776 9.217 -1.682 399 HZ2 LYS 48 1HZ LYS 48 14.293 7.601 -1.625 400 HZ3 LYS 48 2HZ LYS 48 14.273 8.537 -0.218 401 H ASP 49 H ASP 49 9.755 10.556 -5.518 402 HA ASP 49 HA ASP 49 11.165 12.422 -7.061 403 HB2 ASP 49 2HB ASP 49 11.130 10.040 -7.630 404 HB3 ASP 49 3HB ASP 49 9.394 10.087 -7.919 405 H ASN 50 H ASN 50 7.696 11.624 -7.086 406 HA ASN 50 HA ASN 50 7.022 13.955 -8.712 407 HB2 ASN 50 2HB ASN 50 5.867 11.631 -8.803 408 HB3 ASN 50 3HB ASN 50 5.057 12.084 -7.316 409 HD21 ASN 50 1HD2 ASN 50 4.697 14.961 -8.245 410 HD22 ASN 50 2HD2 ASN 50 3.447 14.865 -9.424 411 H GLY 51 H GLY 51 6.571 12.777 -5.359 412 HA2 GLY 51 2HA GLY 51 6.209 14.024 -3.406 413 HA3 GLY 51 3HA GLY 51 5.961 15.479 -4.371 414 H LYS 52 H LYS 52 4.484 12.234 -4.021 415 HA LYS 52 HA LYS 52 1.783 13.429 -4.089 416 HB2 LYS 52 2HB LYS 52 1.049 12.039 -5.908 417 HB3 LYS 52 3HB LYS 52 2.529 12.819 -6.450 418 HG2 LYS 52 2HG LYS 52 3.791 10.721 -5.992 419 HG3 LYS 52 3HG LYS 52 2.294 9.942 -5.467 420 HD2 LYS 52 2HD LYS 52 2.939 10.957 -8.264 421 HD3 LYS 52 3HD LYS 52 2.815 9.272 -7.757 422 HE2 LYS 52 2HE LYS 52 0.538 11.283 -7.847 423 HE3 LYS 52 3HE LYS 52 0.810 9.962 -8.982 424 HZ1 LYS 52 3HZ LYS 52 -0.855 9.327 -7.425 425 HZ2 LYS 52 1HZ LYS 52 0.125 9.715 -6.105 426 HZ3 LYS 52 2HZ LYS 52 0.528 8.411 -7.100 427 HA PRO 53 HA PRO 53 0.902 9.812 -1.402 428 HB2 PRO 53 2HB PRO 53 -1.804 9.552 -1.696 429 HB3 PRO 53 3HB PRO 53 -1.074 10.885 -0.776 430 HG2 PRO 53 2HG PRO 53 -2.104 10.905 -3.602 431 HG3 PRO 53 3HG PRO 53 -2.363 12.093 -2.301 432 HD2 PRO 53 2HD PRO 53 -0.491 12.457 -4.258 433 HD3 PRO 53 3HD PRO 53 -0.282 13.091 -2.612 434 H LEU 54 H LEU 54 0.451 7.582 -1.537 435 HA LEU 54 HA LEU 54 -0.401 6.362 -4.091 436 HB2 LEU 54 2HB LEU 54 2.331 5.922 -2.823 437 HB3 LEU 54 3HB LEU 54 1.600 4.670 -3.810 438 HG LEU 54 HG LEU 54 2.267 7.473 -4.815 439 HD11 LEU 54 1HD1 LEU 54 4.114 6.447 -6.043 440 HD12 LEU 54 2HD1 LEU 54 3.749 4.872 -5.331 441 HD13 LEU 54 3HD1 LEU 54 4.313 6.198 -4.309 442 HD21 LEU 54 3HD2 LEU 54 0.394 6.498 -6.028 443 HD22 LEU 54 1HD2 LEU 54 1.295 5.000 -6.299 444 HD23 LEU 54 2HD2 LEU 54 1.826 6.513 -7.052 445 H VAL 55 H VAL 55 -0.585 3.895 -3.815 446 HA VAL 55 HA VAL 55 -1.243 3.054 -1.039 447 HB VAL 55 HB VAL 55 -2.885 2.332 -3.532 448 HG11 VAL 55 1HG1 VAL 55 -4.456 1.238 -1.957 449 HG12 VAL 55 2HG1 VAL 55 -3.366 1.603 -0.618 450 HG13 VAL 55 3HG1 VAL 55 -2.855 0.498 -1.897 451 HG21 VAL 55 3HG2 VAL 55 -3.672 4.155 -1.230 452 HG22 VAL 55 1HG2 VAL 55 -4.732 3.653 -2.552 453 HG23 VAL 55 2HG2 VAL 55 -3.325 4.666 -2.882 454 H VAL 56 H VAL 56 0.175 1.422 -0.559 455 HA VAL 56 HA VAL 56 1.137 -0.383 -2.713 456 HB VAL 56 HB VAL 56 2.316 0.093 0.067 457 HG11 VAL 56 1HG1 VAL 56 4.274 -1.210 -0.729 458 HG12 VAL 56 2HG1 VAL 56 3.429 -1.561 -2.240 459 HG13 VAL 56 3HG1 VAL 56 2.809 -2.196 -0.714 460 HG21 VAL 56 3HG2 VAL 56 4.126 1.272 -1.110 461 HG22 VAL 56 1HG2 VAL 56 2.568 2.047 -1.396 462 HG23 VAL 56 2HG2 VAL 56 3.292 1.034 -2.647 463 H PHE 57 H PHE 57 -0.305 -2.066 -2.831 464 HA PHE 57 HA PHE 57 -1.145 -3.577 -0.504 465 HB2 PHE 57 2HB PHE 57 -1.226 -4.194 -3.502 466 HB3 PHE 57 3HB PHE 57 -1.856 -5.282 -2.272 467 HD1 PHE 57 HD1 PHE 57 -2.335 -1.908 -3.815 468 HD2 PHE 57 HD2 PHE 57 -4.044 -4.952 -1.340 469 HE1 PHE 57 HE1 PHE 57 -4.519 -0.771 -3.900 470 HE2 PHE 57 HE2 PHE 57 -6.213 -3.806 -1.430 471 HZ PHE 57 HZ PHE 57 -6.457 -1.715 -2.708 472 H VAL 58 H VAL 58 0.374 -4.765 0.642 473 HA VAL 58 HA VAL 58 2.518 -6.159 -0.853 474 HB VAL 58 HB VAL 58 3.532 -6.734 1.328 475 HG11 VAL 58 1HG1 VAL 58 4.287 -4.718 0.203 476 HG12 VAL 58 2HG1 VAL 58 4.331 -4.472 1.945 477 HG13 VAL 58 3HG1 VAL 58 3.029 -3.761 0.985 478 HG21 VAL 58 3HG2 VAL 58 1.359 -5.042 2.616 479 HG22 VAL 58 1HG2 VAL 58 2.791 -5.681 3.438 480 HG23 VAL 58 2HG2 VAL 58 1.574 -6.784 2.796 481 H ASN 59 H ASN 59 2.135 -8.156 -1.520 482 HA ASN 59 HA ASN 59 -0.334 -9.474 -0.819 483 HB2 ASN 59 2HB ASN 59 1.837 -10.291 -2.783 484 HB3 ASN 59 3HB ASN 59 0.337 -11.180 -2.555 485 HD21 ASN 59 1HD2 ASN 59 1.163 -10.126 -5.008 486 HD22 ASN 59 2HD2 ASN 59 0.039 -8.911 -5.481 487 H GLY 60 H GLY 60 -0.096 -10.054 1.339 488 HA2 GLY 60 2HA GLY 60 0.433 -11.386 3.134 489 HA3 GLY 60 3HA GLY 60 0.738 -12.646 1.945 490 H ALA 61 H ALA 61 2.536 -9.632 2.175 491 HA ALA 61 HA ALA 61 4.982 -11.069 1.797 492 HB1 ALA 61 3HB ALA 61 4.524 -8.086 2.161 493 HB2 ALA 61 1HB ALA 61 4.491 -8.955 0.625 494 HB3 ALA 61 2HB ALA 61 5.992 -8.853 1.544 495 H SER 62 H SER 62 6.870 -10.854 3.059 496 HA SER 62 HA SER 62 6.456 -11.463 5.812 497 HB2 SER 62 2HB SER 62 9.070 -11.063 4.277 498 HB3 SER 62 3HB SER 62 8.870 -11.931 5.806 499 HG SER 62 HG SER 62 7.155 -12.994 4.127 500 H GLN 63 H GLN 63 7.649 -10.450 7.587 501 HA GLN 63 HA GLN 63 7.055 -7.692 7.778 502 HB2 GLN 63 2HB GLN 63 6.949 -9.236 9.728 503 HB3 GLN 63 3HB GLN 63 8.696 -9.437 9.676 504 HG2 GLN 63 2HG GLN 63 7.975 -7.891 11.480 505 HG3 GLN 63 3HG GLN 63 9.033 -7.098 10.311 506 HE21 GLN 63 1HE2 GLN 63 8.288 -5.059 10.861 507 HE22 GLN 63 2HE2 GLN 63 6.710 -4.484 10.459 508 H ASN 64 H ASN 64 9.901 -9.268 6.600 509 HA ASN 64 HA ASN 64 11.906 -7.414 7.315 510 HB2 ASN 64 2HB ASN 64 12.274 -9.773 6.415 511 HB3 ASN 64 3HB ASN 64 11.919 -9.162 4.806 512 HD21 ASN 64 1HD2 ASN 64 14.372 -10.377 5.871 513 HD22 ASN 64 2HD2 ASN 64 15.633 -9.231 5.580 514 H ASP 65 H ASP 65 10.042 -7.711 4.229 515 HA ASP 65 HA ASP 65 11.105 -5.291 3.124 516 HB2 ASP 65 2HB ASP 65 9.412 -5.501 1.345 517 HB3 ASP 65 3HB ASP 65 10.240 -7.022 1.624 518 H VAL 66 H VAL 66 8.245 -6.042 5.066 519 HA VAL 66 HA VAL 66 6.949 -3.535 4.959 520 HB VAL 66 HB VAL 66 6.981 -5.605 7.212 521 HG11 VAL 66 1HG1 VAL 66 5.031 -3.303 6.786 522 HG12 VAL 66 2HG1 VAL 66 6.228 -3.416 8.078 523 HG13 VAL 66 3HG1 VAL 66 4.888 -4.561 8.020 524 HG21 VAL 66 3HG2 VAL 66 6.146 -6.493 5.058 525 HG22 VAL 66 1HG2 VAL 66 4.974 -5.175 4.958 526 HG23 VAL 66 2HG2 VAL 66 4.838 -6.384 6.240 527 H ASN 67 H ASN 67 9.626 -4.723 6.975 528 HA ASN 67 HA ASN 67 9.838 -2.474 8.713 529 HB2 ASN 67 2HB ASN 67 11.814 -4.658 7.954 530 HB3 ASN 67 3HB ASN 67 12.302 -3.320 8.993 531 HD21 ASN 67 1HD2 ASN 67 12.071 -6.200 9.501 532 HD22 ASN 67 2HD2 ASN 67 11.074 -6.337 10.906 533 H GLU 68 H GLU 68 11.499 -3.409 5.706 534 HA GLU 68 HA GLU 68 13.131 -1.110 5.484 535 HB2 GLU 68 2HB GLU 68 12.151 -3.014 3.310 536 HB3 GLU 68 3HB GLU 68 13.418 -1.805 3.094 537 HG2 GLU 68 2HG GLU 68 13.505 -4.223 4.917 538 HG3 GLU 68 3HG GLU 68 14.426 -3.981 3.435 539 H PHE 69 H PHE 69 9.789 -1.714 4.622 540 HA PHE 69 HA PHE 69 9.386 0.532 2.923 541 HB2 PHE 69 2HB PHE 69 7.815 -1.456 3.119 542 HB3 PHE 69 3HB PHE 69 7.315 -0.853 4.694 543 HD1 PHE 69 HD2 PHE 69 7.292 -0.163 1.057 544 HD2 PHE 69 HD1 PHE 69 5.748 1.013 4.874 545 HE1 PHE 69 HE2 PHE 69 5.617 1.244 -0.049 546 HE2 PHE 69 HE1 PHE 69 4.081 2.424 3.750 547 HZ PHE 69 HZ PHE 69 4.016 2.536 1.292 548 H GLN 70 H GLN 70 8.726 -0.068 6.349 549 HA GLN 70 HA GLN 70 7.874 2.497 7.096 550 HB2 GLN 70 2HB GLN 70 9.203 0.322 8.774 551 HB3 GLN 70 3HB GLN 70 8.371 1.727 9.439 552 HG2 GLN 70 2HG GLN 70 6.251 0.975 8.538 553 HG3 GLN 70 3HG GLN 70 7.032 -0.350 7.679 554 HE21 GLN 70 1HE2 GLN 70 7.827 -2.136 8.897 555 HE22 GLN 70 2HE2 GLN 70 7.257 -2.457 10.495 556 H ASN 71 H ASN 71 11.111 1.068 6.864 557 HA ASN 71 HA ASN 71 12.554 3.078 8.288 558 HB2 ASN 71 2HB ASN 71 13.492 0.918 6.343 559 HB3 ASN 71 3HB ASN 71 14.610 2.024 7.137 560 HD21 ASN 71 1HD2 ASN 71 14.456 -0.863 7.317 561 HD22 ASN 71 2HD2 ASN 71 14.260 -1.225 8.994 562 H GLU 72 H GLU 72 12.354 2.336 4.775 563 HA GLU 72 HA GLU 72 13.758 4.588 3.846 564 HB2 GLU 72 2HB GLU 72 11.610 2.961 2.432 565 HB3 GLU 72 3HB GLU 72 12.622 4.159 1.635 566 HG2 GLU 72 2HG GLU 72 13.564 1.584 2.923 567 HG3 GLU 72 3HG GLU 72 13.388 1.882 1.197 568 H ALA 73 H ALA 73 10.400 4.218 4.812 569 HA ALA 73 HA ALA 73 9.463 6.700 3.731 570 HB1 ALA 73 3HB ALA 73 7.950 4.826 4.192 571 HB2 ALA 73 1HB ALA 73 7.452 6.272 5.072 572 HB3 ALA 73 2HB ALA 73 8.282 4.961 5.920 573 H LYS 74 H LYS 74 10.443 5.700 7.071 574 HA LYS 74 HA LYS 74 9.744 8.226 8.210 575 HB2 LYS 74 2HB LYS 74 10.809 7.372 10.326 576 HB3 LYS 74 3HB LYS 74 9.567 6.335 9.653 577 HG2 LYS 74 2HG LYS 74 11.164 4.807 10.348 578 HG3 LYS 74 3HG LYS 74 11.526 4.977 8.640 579 HD2 LYS 74 2HD LYS 74 13.601 4.905 9.842 580 HD3 LYS 74 3HD LYS 74 13.390 6.550 9.245 581 HE2 LYS 74 2HE LYS 74 12.738 7.314 11.469 582 HE3 LYS 74 3HE LYS 74 12.755 5.656 12.081 583 HZ1 LYS 74 3HZ LYS 74 15.124 5.548 11.664 584 HZ2 LYS 74 1HZ LYS 74 14.775 6.859 12.675 585 HZ3 LYS 74 2HZ LYS 74 15.127 7.118 11.044 586 H LYS 75 H LYS 75 12.777 6.957 6.942 587 HA LYS 75 HA LYS 75 14.476 8.964 8.097 588 HB2 LYS 75 2HB LYS 75 16.217 8.114 6.600 589 HB3 LYS 75 3HB LYS 75 15.346 6.770 7.331 590 HG2 LYS 75 2HG LYS 75 14.077 6.429 5.261 591 HG3 LYS 75 3HG LYS 75 14.868 7.826 4.535 592 HD2 LYS 75 2HD LYS 75 15.883 5.801 3.681 593 HD3 LYS 75 3HD LYS 75 17.053 6.656 4.685 594 HE2 LYS 75 2HE LYS 75 16.636 5.082 6.530 595 HE3 LYS 75 3HE LYS 75 15.404 4.258 5.565 596 HZ1 LYS 75 3HZ LYS 75 18.301 4.435 4.927 597 HZ2 LYS 75 1HZ LYS 75 17.133 3.725 3.932 598 HZ3 LYS 75 2HZ LYS 75 17.466 3.062 5.447 599 H GLU 76 H GLU 76 12.554 8.774 5.173 600 HA GLU 76 HA GLU 76 13.810 11.126 3.940 601 HB2 GLU 76 2HB GLU 76 11.714 9.187 2.886 602 HB3 GLU 76 3HB GLU 76 12.449 10.494 1.961 603 HG2 GLU 76 2HG GLU 76 13.866 8.053 3.064 604 HG3 GLU 76 3HG GLU 76 13.455 8.350 1.380 605 H GLY 77 H GLY 77 10.986 10.305 5.760 606 HA2 GLY 77 2HA GLY 77 9.514 11.842 6.733 607 HA3 GLY 77 3HA GLY 77 9.972 13.054 5.547 608 H VAL 78 H VAL 78 9.094 9.859 4.475 609 HA VAL 78 HA VAL 78 6.587 10.752 3.287 610 HB VAL 78 HB VAL 78 7.889 7.982 3.307 611 HG11 VAL 78 1HG1 VAL 78 5.470 7.822 2.897 612 HG12 VAL 78 2HG1 VAL 78 6.374 7.437 1.431 613 HG13 VAL 78 3HG1 VAL 78 5.595 9.012 1.597 614 HG21 VAL 78 3HG2 VAL 78 7.962 10.121 1.139 615 HG22 VAL 78 1HG2 VAL 78 8.631 8.491 0.999 616 HG23 VAL 78 2HG2 VAL 78 9.318 9.631 2.159 617 H SER 79 H SER 79 4.837 10.889 4.611 618 HA SER 79 HA SER 79 4.646 9.540 7.136 619 HB2 SER 79 2HB SER 79 2.597 11.243 5.654 620 HB3 SER 79 3HB SER 79 2.484 10.739 7.345 621 HG SER 79 HG SER 79 3.591 12.893 6.511 622 H TYR 80 H TYR 80 4.540 7.376 6.807 623 HA TYR 80 HA TYR 80 2.743 6.143 4.885 624 HB2 TYR 80 2HB TYR 80 3.825 4.019 5.595 625 HB3 TYR 80 3HB TYR 80 5.007 5.233 5.143 626 HD1 TYR 80 HD2 TYR 80 6.226 6.529 7.026 627 HD2 TYR 80 HD1 TYR 80 3.956 2.990 7.797 628 HE1 TYR 80 HE2 TYR 80 7.346 6.284 9.193 629 HE2 TYR 80 HE1 TYR 80 5.078 2.753 9.973 630 HH TYR 80 HH TYR 80 6.950 5.258 11.345 631 H ASP 81 H ASP 81 0.848 5.181 5.330 632 HA ASP 81 HA ASP 81 -0.196 5.030 8.095 633 HB2 ASP 81 2HB ASP 81 -1.420 6.557 6.478 634 HB3 ASP 81 3HB ASP 81 -1.764 5.159 5.470 635 H VAL 82 H VAL 82 -0.547 2.993 8.831 636 HA VAL 82 HA VAL 82 -0.078 0.733 6.958 637 HB VAL 82 HB VAL 82 0.505 0.809 9.962 638 HG11 VAL 82 1HG1 VAL 82 1.775 -1.271 9.534 639 HG12 VAL 82 2HG1 VAL 82 1.289 -1.218 7.838 640 HG13 VAL 82 3HG1 VAL 82 0.074 -1.462 9.095 641 HG21 VAL 82 3HG2 VAL 82 2.440 1.110 7.631 642 HG22 VAL 82 1HG2 VAL 82 2.901 0.974 9.331 643 HG23 VAL 82 2HG2 VAL 82 1.991 2.381 8.771 644 H LEU 83 H LEU 83 -1.806 -0.443 6.559 645 HA LEU 83 HA LEU 83 -4.037 -0.682 8.504 646 HB2 LEU 83 2HB LEU 83 -4.652 0.588 6.500 647 HB3 LEU 83 3HB LEU 83 -4.022 -0.677 5.458 648 HG LEU 83 HG LEU 83 -5.849 -2.218 6.363 649 HD11 LEU 83 1HD1 LEU 83 -6.343 -1.056 8.458 650 HD12 LEU 83 2HD1 LEU 83 -7.791 -1.244 7.473 651 HD13 LEU 83 3HD1 LEU 83 -6.983 0.324 7.560 652 HD21 LEU 83 3HD2 LEU 83 -6.035 -1.147 4.174 653 HD22 LEU 83 1HD2 LEU 83 -6.772 0.278 4.914 654 HD23 LEU 83 2HD2 LEU 83 -7.612 -1.276 4.951 655 H LYS 84 H LYS 84 -3.881 -2.662 9.447 656 HA LYS 84 HA LYS 84 -3.289 -5.063 7.826 657 HB2 LYS 84 2HB LYS 84 -3.283 -4.564 10.823 658 HB3 LYS 84 3HB LYS 84 -3.417 -6.200 10.196 659 HG2 LYS 84 2HG LYS 84 -1.117 -5.813 10.761 660 HG3 LYS 84 3HG LYS 84 -1.242 -5.875 9.001 661 HD2 LYS 84 2HD LYS 84 0.259 -4.081 9.665 662 HD3 LYS 84 3HD LYS 84 -1.189 -3.403 8.918 663 HE2 LYS 84 2HE LYS 84 -0.571 -2.079 10.859 664 HE3 LYS 84 3HE LYS 84 -2.087 -2.908 11.198 665 HZ1 LYS 84 3HZ LYS 84 -0.532 -2.972 13.063 666 HZ2 LYS 84 1HZ LYS 84 0.596 -3.794 12.113 667 HZ3 LYS 84 2HZ LYS 84 -0.878 -4.530 12.505 668 H SER 85 H SER 85 -5.003 -5.972 6.944 669 HA SER 85 HA SER 85 -7.346 -6.746 8.423 670 HB2 SER 85 2HB SER 85 -8.073 -4.442 8.003 671 HB3 SER 85 3HB SER 85 -7.634 -4.563 6.302 672 HG SER 85 HG SER 85 -9.944 -5.249 7.513 673 H THR 86 H THR 86 -8.745 -8.113 7.093 674 HA THR 86 HA THR 86 -7.792 -8.831 4.387 675 HB THR 86 HB THR 86 -8.293 -11.294 4.949 676 HG1 THR 86 HG1 THR 86 -8.964 -10.187 7.293 677 HG21 THR 86 3HG2 THR 86 -6.099 -11.759 5.969 678 HG22 THR 86 1HG2 THR 86 -5.951 -10.073 6.468 679 HG23 THR 86 2HG2 THR 86 -5.942 -10.489 4.751 680 H ASP 87 H ASP 87 -10.071 -7.318 5.792 681 HA ASP 87 HA ASP 87 -12.464 -8.803 5.009 682 HB2 ASP 87 2HB ASP 87 -12.181 -5.926 5.978 683 HB3 ASP 87 3HB ASP 87 -13.690 -6.813 5.808 684 HA PRO 88 HA PRO 88 -12.044 -6.973 0.815 685 HB2 PRO 88 2HB PRO 88 -14.534 -7.833 -0.141 686 HB3 PRO 88 3HB PRO 88 -13.054 -8.813 -0.166 687 HG2 PRO 88 2HG PRO 88 -15.314 -8.878 1.796 688 HG3 PRO 88 3HG PRO 88 -14.384 -10.226 1.106 689 HD2 PRO 88 2HD PRO 88 -13.918 -9.319 3.616 690 HD3 PRO 88 3HD PRO 88 -12.601 -9.945 2.596 691 H GLU 89 H GLU 89 -14.969 -6.720 2.824 692 HA GLU 89 HA GLU 89 -16.104 -4.435 1.665 693 HB2 GLU 89 2HB GLU 89 -17.390 -4.229 3.779 694 HB3 GLU 89 3HB GLU 89 -17.381 -5.875 3.159 695 HG2 GLU 89 2HG GLU 89 -15.680 -6.512 4.820 696 HG3 GLU 89 3HG GLU 89 -15.651 -4.863 5.440 697 H GLU 90 H GLU 90 -13.829 -4.718 4.441 698 HA GLU 90 HA GLU 90 -13.831 -1.929 5.046 699 HB2 GLU 90 2HB GLU 90 -13.357 -3.493 6.835 700 HB3 GLU 90 3HB GLU 90 -11.974 -4.152 5.971 701 HG2 GLU 90 2HG GLU 90 -10.666 -2.195 6.327 702 HG3 GLU 90 3HG GLU 90 -12.071 -1.238 6.788 703 H LEU 91 H LEU 91 -11.351 -4.082 3.584 704 HA LEU 91 HA LEU 91 -9.382 -2.210 3.066 705 HB2 LEU 91 2HB LEU 91 -10.128 -4.700 1.491 706 HB3 LEU 91 3HB LEU 91 -8.665 -3.778 1.184 707 HG LEU 91 HG LEU 91 -9.310 -5.241 3.782 708 HD11 LEU 91 1HD1 LEU 91 -7.568 -6.818 3.114 709 HD12 LEU 91 2HD1 LEU 91 -7.319 -5.941 1.600 710 HD13 LEU 91 3HD1 LEU 91 -8.850 -6.766 1.905 711 HD21 LEU 91 3HD2 LEU 91 -7.925 -3.270 4.214 712 HD22 LEU 91 1HD2 LEU 91 -6.785 -3.765 2.958 713 HD23 LEU 91 2HD2 LEU 91 -6.982 -4.744 4.415 714 H THR 92 H THR 92 -12.176 -3.071 0.973 715 HA THR 92 HA THR 92 -11.514 -1.397 -1.212 716 HB THR 92 HB THR 92 -14.247 -2.437 -0.349 717 HG1 THR 92 HG1 THR 92 -12.597 -3.999 -0.931 718 HG21 THR 92 3HG2 THR 92 -14.556 -0.523 -1.881 719 HG22 THR 92 1HG2 THR 92 -14.951 -2.035 -2.702 720 HG23 THR 92 2HG2 THR 92 -13.411 -1.235 -3.019 721 H GLN 93 H GLN 93 -13.641 -0.772 1.656 722 HA GLN 93 HA GLN 93 -14.266 1.870 0.749 723 HB2 GLN 93 2HB GLN 93 -15.414 2.232 2.879 724 HB3 GLN 93 3HB GLN 93 -15.886 0.725 2.124 725 HG2 GLN 93 2HG GLN 93 -15.808 0.257 4.415 726 HG3 GLN 93 3HG GLN 93 -14.337 -0.449 3.763 727 HE21 GLN 93 1HE2 GLN 93 -14.655 3.006 4.423 728 HE22 GLN 93 2HE2 GLN 93 -13.563 3.028 5.757 729 H ARG 94 H ARG 94 -11.612 0.583 2.601 730 HA ARG 94 HA ARG 94 -10.754 3.005 3.851 731 HB2 ARG 94 2HB ARG 94 -9.245 0.439 3.188 732 HB3 ARG 94 3HB ARG 94 -8.513 1.775 4.072 733 HG2 ARG 94 2HG ARG 94 -10.937 0.193 4.983 734 HG3 ARG 94 3HG ARG 94 -9.287 -0.047 5.554 735 HD2 ARG 94 2HD ARG 94 -9.291 2.269 6.460 736 HD3 ARG 94 3HD ARG 94 -10.966 2.461 5.925 737 HE ARG 94 HE ARG 94 -11.264 0.334 7.443 738 HH11 ARG 94 1HH1 ARG 94 -9.352 3.208 8.155 739 HH12 ARG 94 2HH1 ARG 94 -9.551 3.057 9.872 740 HH21 ARG 94 1HH2 ARG 94 -11.482 0.122 9.672 741 HH22 ARG 94 2HH2 ARG 94 -10.762 1.296 10.732 742 H VAL 95 H VAL 95 -10.052 1.491 0.716 743 HA VAL 95 HA VAL 95 -7.980 3.160 -0.181 744 HB VAL 95 HB VAL 95 -10.171 1.773 -1.810 745 HG11 VAL 95 1HG1 VAL 95 -8.652 1.984 -3.776 746 HG12 VAL 95 2HG1 VAL 95 -7.556 2.978 -2.811 747 HG13 VAL 95 3HG1 VAL 95 -9.179 3.562 -3.181 748 HG21 VAL 95 3HG2 VAL 95 -8.452 0.031 -2.225 749 HG22 VAL 95 1HG2 VAL 95 -8.776 0.217 -0.499 750 HG23 VAL 95 2HG2 VAL 95 -7.315 0.912 -1.201 751 H ARG 96 H ARG 96 -11.505 3.609 -0.193 752 HA ARG 96 HA ARG 96 -11.684 5.942 -1.805 753 HB2 ARG 96 2HB ARG 96 -13.591 5.468 0.522 754 HB3 ARG 96 3HB ARG 96 -13.936 6.173 -1.055 755 HG2 ARG 96 2HG ARG 96 -13.819 3.944 -2.082 756 HG3 ARG 96 3HG ARG 96 -13.387 3.242 -0.517 757 HD2 ARG 96 2HD ARG 96 -16.009 4.577 -1.267 758 HD3 ARG 96 3HD ARG 96 -15.748 2.876 -0.869 759 HE ARG 96 HE ARG 96 -14.937 4.461 1.316 760 HH11 ARG 96 1HH1 ARG 96 -17.948 3.529 -0.279 761 HH12 ARG 96 2HH1 ARG 96 -18.895 3.728 1.160 762 HH21 ARG 96 1HH2 ARG 96 -16.222 4.785 3.145 763 HH22 ARG 96 2HH2 ARG 96 -17.916 4.433 3.085 764 H GLU 97 H GLU 97 -11.687 5.489 1.707 765 HA GLU 97 HA GLU 97 -11.944 8.189 2.472 766 HB2 GLU 97 2HB GLU 97 -10.731 5.950 4.148 767 HB3 GLU 97 3HB GLU 97 -11.543 7.394 4.737 768 HG2 GLU 97 2HG GLU 97 -12.776 5.013 3.353 769 HG3 GLU 97 3HG GLU 97 -13.035 5.516 5.006 770 H PHE 98 H PHE 98 -9.171 6.099 1.925 771 HA PHE 98 HA PHE 98 -7.126 7.738 2.944 772 HB2 PHE 98 2HB PHE 98 -6.711 5.360 2.430 773 HB3 PHE 98 3HB PHE 98 -7.008 5.649 0.717 774 HD1 PHE 98 HD1 PHE 98 -4.720 6.499 3.531 775 HD2 PHE 98 HD2 PHE 98 -5.234 6.418 -0.719 776 HE1 PHE 98 HE1 PHE 98 -2.358 7.086 3.218 777 HE2 PHE 98 HE2 PHE 98 -2.870 7.004 -1.013 778 HZ PHE 98 HZ PHE 98 -1.438 7.342 0.952 779 H LEU 99 H LEU 99 -8.204 7.245 -0.446 780 HA LEU 99 HA LEU 99 -6.508 9.184 -1.613 781 HB2 LEU 99 2HB LEU 99 -9.120 7.989 -2.628 782 HB3 LEU 99 3HB LEU 99 -7.991 8.900 -3.624 783 HG LEU 99 HG LEU 99 -7.291 6.273 -2.240 784 HD11 LEU 99 1HD1 LEU 99 -7.480 5.219 -4.456 785 HD12 LEU 99 2HD1 LEU 99 -8.105 6.728 -5.123 786 HD13 LEU 99 3HD1 LEU 99 -9.024 5.858 -3.893 787 HD21 LEU 99 3HD2 LEU 99 -5.334 6.258 -3.712 788 HD22 LEU 99 1HD2 LEU 99 -5.337 7.687 -2.682 789 HD23 LEU 99 2HD2 LEU 99 -5.799 7.825 -4.382 790 H LYS 100 H LYS 100 -9.546 9.479 -0.000 791 HA LYS 100 HA LYS 100 -10.393 12.015 -1.007 792 HB2 LYS 100 2HB LYS 100 -11.802 10.210 0.165 793 HB3 LYS 100 3HB LYS 100 -11.101 10.770 1.677 794 HG2 LYS 100 2HG LYS 100 -12.071 13.063 1.162 795 HG3 LYS 100 3HG LYS 100 -12.918 12.325 -0.202 796 HD2 LYS 100 2HD LYS 100 -13.245 11.647 2.744 797 HD3 LYS 100 3HD LYS 100 -14.424 12.453 1.709 798 HE2 LYS 100 2HE LYS 100 -13.473 9.584 1.325 799 HE3 LYS 100 3HE LYS 100 -14.953 10.050 2.153 800 HZ1 LYS 100 3HZ LYS 100 -14.333 10.588 -0.697 801 HZ2 LYS 100 1HZ LYS 100 -15.752 11.044 0.104 802 HZ3 LYS 100 2HZ LYS 100 -15.391 9.408 -0.117 803 H THR 101 H THR 101 -8.729 10.993 2.030 804 HA THR 101 HA THR 101 -8.217 13.743 2.864 805 HB THR 101 HB THR 101 -8.699 11.991 4.559 806 HG1 THR 101 HG1 THR 101 -7.303 13.911 4.977 807 HG21 THR 101 3HG2 THR 101 -7.511 10.070 3.546 808 HG22 THR 101 1HG2 THR 101 -6.987 10.345 5.208 809 HG23 THR 101 2HG2 THR 101 -5.961 10.856 3.865 810 H ALA 102 H ALA 102 -6.607 11.438 0.927 811 HA ALA 102 HA ALA 102 -3.906 12.452 1.299 812 HB1 ALA 102 3HB ALA 102 -3.289 10.820 -0.404 813 HB2 ALA 102 1HB ALA 102 -4.987 10.491 -0.758 814 HB3 ALA 102 2HB ALA 102 -4.309 10.061 0.814 815 H GLY 103 H GLY 103 -6.545 12.659 -1.050 816 HA2 GLY 103 2HA GLY 103 -5.176 14.563 -2.779 817 HA3 GLY 103 3HA GLY 103 -6.829 13.975 -2.944 818 H SER 104 H SER 104 -6.419 16.593 -3.325 819 HA SER 104 HA SER 104 -7.192 18.642 -2.891 820 HB2 SER 104 2HB SER 104 -8.415 17.499 -0.344 821 HB3 SER 104 3HB SER 104 -8.724 19.123 -0.974 822 HG SER 104 HG SER 104 -9.079 17.315 -2.931 823 H LEU 105 H LEU 105 -5.651 17.144 -0.042 824 HA LEU 105 HA LEU 105 -4.301 19.480 0.852 825 HB2 LEU 105 2HB LEU 105 -3.721 16.513 1.198 826 HB3 LEU 105 3HB LEU 105 -2.678 17.744 1.878 827 HG LEU 105 HG LEU 105 -4.148 16.884 3.615 828 HD11 LEU 105 1HD1 LEU 105 -5.143 18.945 4.465 829 HD12 LEU 105 2HD1 LEU 105 -4.995 19.694 2.873 830 HD13 LEU 105 3HD1 LEU 105 -3.546 19.246 3.777 831 HD21 LEU 105 3HD2 LEU 105 -6.521 17.749 1.932 832 HD22 LEU 105 1HD2 LEU 105 -6.592 17.091 3.572 833 HD23 LEU 105 2HD2 LEU 105 -6.022 16.085 2.241 834 H GLU 106 H GLU 106 -3.189 20.611 -0.592 835 HA GLU 106 HA GLU 106 -2.067 19.607 -3.008 836 HB2 GLU 106 2HB GLU 106 -1.729 22.316 -1.671 837 HB3 GLU 106 3HB GLU 106 -1.386 21.961 -3.365 838 HG2 GLU 106 2HG GLU 106 -3.721 21.618 -3.854 839 HG3 GLU 106 3HG GLU 106 -4.146 21.631 -2.144 840 H HIS 107 H HIS 107 -0.793 20.244 0.152 841 HA HIS 107 HA HIS 107 1.168 19.985 1.196 842 HB2 HIS 107 2HB HIS 107 1.836 18.181 -1.176 843 HB3 HIS 107 3HB HIS 107 2.801 18.288 0.291 844 HD1 HIS 107 HD1 HIS 107 0.059 16.438 -1.162 845 HD2 HIS 107 HD2 HIS 107 1.234 17.474 2.687 846 HE1 HIS 107 HE1 HIS 107 -1.182 14.885 0.365 847 HE2 HIS 107 HE2 HIS 107 -0.598 15.660 2.684 848 H HIS 108 H HIS 108 0.832 22.258 -0.443 849 HA HIS 108 HA HIS 108 3.068 23.081 -1.918 850 HB2 HIS 108 2HB HIS 108 1.031 24.651 -0.287 851 HB3 HIS 108 3HB HIS 108 2.330 25.465 -1.149 852 HD1 HIS 108 HD1 HIS 108 2.337 24.252 -3.847 853 HD2 HIS 108 HD2 HIS 108 -1.188 25.008 -1.792 854 HE1 HIS 108 HE1 HIS 108 0.566 24.459 -5.605 855 HE2 HIS 108 HE2 HIS 108 -1.579 24.665 -4.319 856 H HIS 109 H HIS 109 5.128 23.097 -1.257 857 HA HIS 109 HA HIS 109 5.873 24.271 1.354 858 HB2 HIS 109 2HB HIS 109 6.863 21.597 0.251 859 HB3 HIS 109 3HB HIS 109 7.706 22.479 1.523 860 HD1 HIS 109 HD1 HIS 109 5.019 20.081 0.975 861 HD2 HIS 109 HD2 HIS 109 6.104 22.755 3.957 862 HE1 HIS 109 HE1 HIS 109 3.773 19.348 3.025 863 HE2 HIS 109 HE2 HIS 109 4.532 20.913 4.830 864 H HIS 110 H HIS 110 8.260 24.689 1.413 865 HA HIS 110 HA HIS 110 9.061 26.060 -1.086 866 HB2 HIS 110 2HB HIS 110 9.906 26.562 1.813 867 HB3 HIS 110 3HB HIS 110 10.383 27.529 0.421 868 HD1 HIS 110 HD1 HIS 110 8.921 29.483 -0.111 869 HD2 HIS 110 HD2 HIS 110 6.998 26.737 2.338 870 HE1 HIS 110 HE1 HIS 110 6.763 30.569 0.558 871 HE2 HIS 110 HE2 HIS 110 5.535 28.798 1.853 872 H HIS 111 H HIS 111 11.501 26.281 -1.305 873 HA HIS 111 HA HIS 111 13.046 23.931 -0.407 874 HB2 HIS 111 2HB HIS 111 12.632 24.741 -3.316 875 HB3 HIS 111 3HB HIS 111 14.000 23.762 -2.806 876 HD1 HIS 111 HD1 HIS 111 13.635 21.305 -2.628 877 HD2 HIS 111 HD2 HIS 111 10.042 23.376 -2.885 878 HE1 HIS 111 HE1 HIS 111 11.864 19.552 -2.884 879 HE2 HIS 111 HE2 HIS 111 9.743 20.842 -3.269 880 H HIS 112 H HIS 112 13.983 25.518 1.000 881 HA HIS 112 HA HIS 112 15.507 27.745 0.085 882 HB2 HIS 112 2HB HIS 112 14.700 27.645 2.409 883 HB3 HIS 112 3HB HIS 112 15.633 26.184 2.713 884 HD1 HIS 112 HD1 HIS 112 15.982 29.908 2.383 885 HD2 HIS 112 HD2 HIS 112 18.386 26.627 3.234 886 HE1 HIS 112 HE1 HIS 112 18.128 30.851 3.270 887 HE2 HIS 112 HE2 HIS 112 19.525 28.848 3.866 Start of MODEL 19 1 H1 MET 1 1H MET 1 3.744 17.672 -0.192 2 H2 MET 1 2H MET 1 3.502 16.123 -0.816 3 H3 MET 1 3H MET 1 5.037 16.588 -0.285 4 HA MET 1 HA MET 1 4.212 16.826 1.965 5 HB2 MET 1 2HB MET 1 1.822 17.254 1.184 6 HB3 MET 1 3HB MET 1 1.661 15.529 0.903 7 HG2 MET 1 2HG MET 1 2.303 16.733 3.605 8 HG3 MET 1 3HG MET 1 0.666 16.369 3.057 9 HE1 MET 1 3HE MET 1 2.085 15.263 5.786 10 HE2 MET 1 1HE MET 1 1.444 13.620 5.785 11 HE3 MET 1 2HE MET 1 0.402 14.973 5.347 12 H GLY 2 H GLY 2 3.206 14.143 -0.209 13 HA2 GLY 2 2HA GLY 2 4.050 12.006 -0.447 14 HA3 GLY 2 3HA GLY 2 5.307 12.388 0.722 15 H LYS 3 H LYS 3 2.295 10.846 0.216 16 HA LYS 3 HA LYS 3 2.188 9.867 2.985 17 HB2 LYS 3 2HB LYS 3 0.652 11.860 2.847 18 HB3 LYS 3 3HB LYS 3 -0.232 11.072 1.543 19 HG2 LYS 3 2HG LYS 3 -0.749 9.184 3.162 20 HG3 LYS 3 3HG LYS 3 -0.042 10.171 4.443 21 HD2 LYS 3 2HD LYS 3 -2.445 10.919 2.729 22 HD3 LYS 3 3HD LYS 3 -2.507 10.358 4.399 23 HE2 LYS 3 2HE LYS 3 -1.236 12.372 5.101 24 HE3 LYS 3 3HE LYS 3 -1.240 12.940 3.427 25 HZ1 LYS 3 3HZ LYS 3 -3.599 13.117 3.473 26 HZ2 LYS 3 1HZ LYS 3 -3.008 13.897 4.846 27 HZ3 LYS 3 2HZ LYS 3 -3.701 12.365 4.983 28 H VAL 4 H VAL 4 1.524 7.686 3.042 29 HA VAL 4 HA VAL 4 0.504 6.483 0.554 30 HB VAL 4 HB VAL 4 3.005 6.404 0.480 31 HG11 VAL 4 1HG1 VAL 4 2.822 4.551 2.842 32 HG12 VAL 4 2HG1 VAL 4 3.496 6.185 2.849 33 HG13 VAL 4 3HG1 VAL 4 4.276 4.912 1.905 34 HG21 VAL 4 3HG2 VAL 4 1.677 3.681 0.622 35 HG22 VAL 4 1HG2 VAL 4 3.192 4.048 -0.209 36 HG23 VAL 4 2HG2 VAL 4 1.680 4.760 -0.773 37 H LEU 5 H LEU 5 -0.742 4.668 0.813 38 HA LEU 5 HA LEU 5 -1.315 3.761 3.578 39 HB2 LEU 5 2HB LEU 5 -3.263 4.534 2.241 40 HB3 LEU 5 3HB LEU 5 -2.915 3.325 1.019 41 HG LEU 5 HG LEU 5 -3.374 1.521 2.703 42 HD11 LEU 5 1HD1 LEU 5 -4.217 3.762 4.556 43 HD12 LEU 5 2HD1 LEU 5 -2.841 2.674 4.767 44 HD13 LEU 5 3HD1 LEU 5 -4.482 2.036 4.828 45 HD21 LEU 5 3HD2 LEU 5 -5.817 1.741 2.728 46 HD22 LEU 5 1HD2 LEU 5 -5.147 2.219 1.170 47 HD23 LEU 5 2HD2 LEU 5 -5.683 3.452 2.314 48 H LEU 6 H LEU 6 0.109 2.206 4.040 49 HA LEU 6 HA LEU 6 0.913 0.112 2.209 50 HB2 LEU 6 2HB LEU 6 2.441 1.092 3.929 51 HB3 LEU 6 3HB LEU 6 1.398 0.480 5.201 52 HG LEU 6 HG LEU 6 1.947 -1.856 4.518 53 HD11 LEU 6 1HD1 LEU 6 3.844 -0.602 2.515 54 HD12 LEU 6 2HD1 LEU 6 2.388 -1.532 2.148 55 HD13 LEU 6 3HD1 LEU 6 3.756 -2.317 2.930 56 HD21 LEU 6 3HD2 LEU 6 3.243 -0.822 6.299 57 HD22 LEU 6 1HD2 LEU 6 4.361 -0.115 5.129 58 HD23 LEU 6 2HD2 LEU 6 4.285 -1.865 5.337 59 H VAL 7 H VAL 7 -1.021 -0.887 1.674 60 HA VAL 7 HA VAL 7 -2.826 -2.074 3.592 61 HB VAL 7 HB VAL 7 -2.636 -2.461 0.561 62 HG11 VAL 7 1HG1 VAL 7 -3.784 -4.369 1.601 63 HG12 VAL 7 2HG1 VAL 7 -4.934 -3.384 0.700 64 HG13 VAL 7 3HG1 VAL 7 -4.874 -3.277 2.460 65 HG21 VAL 7 3HG2 VAL 7 -4.558 -0.903 0.437 66 HG22 VAL 7 1HG2 VAL 7 -3.137 -0.134 1.150 67 HG23 VAL 7 2HG2 VAL 7 -4.468 -0.654 2.184 68 H ILE 8 H ILE 8 -2.561 -3.981 4.511 69 HA ILE 8 HA ILE 8 -0.742 -6.036 3.403 70 HB ILE 8 HB ILE 8 -0.960 -5.292 6.369 71 HG12 ILE 8 2HG1 ILE 8 1.272 -4.591 4.407 72 HG13 ILE 8 3HG1 ILE 8 0.130 -3.459 5.110 73 HG21 ILE 8 1HG2 ILE 8 0.992 -7.168 4.969 74 HG22 ILE 8 2HG2 ILE 8 -0.364 -7.662 5.984 75 HG23 ILE 8 3HG2 ILE 8 0.988 -6.777 6.691 76 HD11 ILE 8 3HD1 ILE 8 2.310 -3.348 6.145 77 HD12 ILE 8 1HD1 ILE 8 2.181 -5.036 6.637 78 HD13 ILE 8 2HD1 ILE 8 1.066 -3.832 7.294 79 H SER 9 H SER 9 -1.621 -8.025 3.406 80 HA SER 9 HA SER 9 -3.632 -8.835 5.342 81 HB2 SER 9 2HB SER 9 -5.009 -7.925 3.474 82 HB3 SER 9 3HB SER 9 -4.193 -9.005 2.351 83 HG SER 9 HG SER 9 -6.330 -9.501 3.766 84 H THR 10 H THR 10 -3.615 -11.021 5.704 85 HA THR 10 HA THR 10 -1.362 -12.575 4.858 86 HB THR 10 HB THR 10 -3.854 -13.529 6.351 87 HG1 THR 10 HG1 THR 10 -2.536 -13.060 8.243 88 HG21 THR 10 3HG2 THR 10 -2.345 -15.225 7.329 89 HG22 THR 10 1HG2 THR 10 -1.007 -14.609 6.357 90 HG23 THR 10 2HG2 THR 10 -2.391 -15.372 5.570 91 H ASP 11 H ASP 11 -4.802 -12.437 4.094 92 HA ASP 11 HA ASP 11 -4.827 -14.543 2.127 93 HB2 ASP 11 2HB ASP 11 -6.789 -12.330 2.843 94 HB3 ASP 11 3HB ASP 11 -7.090 -13.459 1.530 95 H THR 12 H THR 12 -3.360 -14.140 0.507 96 HA THR 12 HA THR 12 -2.990 -11.764 -0.970 97 HB THR 12 HB THR 12 -2.129 -13.308 -2.779 98 HG1 THR 12 HG1 THR 12 -3.448 -15.097 -2.544 99 HG21 THR 12 3HG2 THR 12 -0.268 -14.289 -1.466 100 HG22 THR 12 1HG2 THR 12 -1.149 -13.970 0.032 101 HG23 THR 12 2HG2 THR 12 -0.590 -12.627 -0.971 102 H ASN 13 H ASN 13 -5.433 -14.220 -1.048 103 HA ASN 13 HA ASN 13 -6.694 -13.830 -3.523 104 HB2 ASN 13 2HB ASN 13 -8.023 -14.607 -0.880 105 HB3 ASN 13 3HB ASN 13 -8.608 -14.979 -2.500 106 HD21 ASN 13 1HD2 ASN 13 -7.941 -16.730 -0.227 107 HD22 ASN 13 2HD2 ASN 13 -6.769 -17.858 -0.816 108 H ILE 14 H ILE 14 -7.275 -12.370 -0.333 109 HA ILE 14 HA ILE 14 -9.448 -10.700 -1.128 110 HB ILE 14 HB ILE 14 -7.661 -10.632 1.345 111 HG12 ILE 14 2HG1 ILE 14 -8.995 -12.700 1.158 112 HG13 ILE 14 3HG1 ILE 14 -9.579 -11.724 2.494 113 HG21 ILE 14 1HG2 ILE 14 -9.352 -9.197 2.410 114 HG22 ILE 14 2HG2 ILE 14 -10.249 -9.116 0.896 115 HG23 ILE 14 3HG2 ILE 14 -8.639 -8.409 1.000 116 HD11 ILE 14 3HD1 ILE 14 -11.405 -12.742 1.313 117 HD12 ILE 14 1HD1 ILE 14 -10.879 -12.031 -0.213 118 HD13 ILE 14 2HD1 ILE 14 -11.474 -10.995 1.089 119 H ILE 15 H ILE 15 -5.935 -10.190 -0.715 120 HA ILE 15 HA ILE 15 -5.729 -7.454 -1.261 121 HB ILE 15 HB ILE 15 -3.807 -9.721 -1.973 122 HG12 ILE 15 2HG1 ILE 15 -3.753 -7.728 0.334 123 HG13 ILE 15 3HG1 ILE 15 -4.304 -9.393 0.450 124 HG21 ILE 15 1HG2 ILE 15 -3.301 -7.776 -3.425 125 HG22 ILE 15 2HG2 ILE 15 -2.013 -8.057 -2.255 126 HG23 ILE 15 3HG2 ILE 15 -3.163 -6.746 -1.999 127 HD11 ILE 15 3HD1 ILE 15 -1.504 -8.464 -0.136 128 HD12 ILE 15 1HD1 ILE 15 -2.036 -10.149 -0.142 129 HD13 ILE 15 2HD1 ILE 15 -2.107 -9.205 1.345 130 H SER 16 H SER 16 -5.888 -10.225 -3.488 131 HA SER 16 HA SER 16 -5.508 -8.872 -5.932 132 HB2 SER 16 2HB SER 16 -5.322 -11.336 -5.691 133 HB3 SER 16 3HB SER 16 -7.055 -11.453 -5.385 134 HG SER 16 HG SER 16 -7.324 -10.498 -7.524 135 H SER 17 H SER 17 -8.474 -9.919 -4.278 136 HA SER 17 HA SER 17 -10.427 -9.109 -6.058 137 HB2 SER 17 2HB SER 17 -10.869 -10.556 -4.120 138 HB3 SER 17 3HB SER 17 -10.522 -9.233 -3.010 139 HG SER 17 HG SER 17 -12.709 -9.338 -3.200 140 H VAL 18 H VAL 18 -9.177 -7.313 -3.251 141 HA VAL 18 HA VAL 18 -10.728 -4.967 -3.587 142 HB VAL 18 HB VAL 18 -8.132 -5.435 -2.051 143 HG11 VAL 18 1HG1 VAL 18 -8.677 -3.396 -0.751 144 HG12 VAL 18 2HG1 VAL 18 -10.033 -3.067 -1.828 145 HG13 VAL 18 3HG1 VAL 18 -8.384 -3.025 -2.451 146 HG21 VAL 18 3HG2 VAL 18 -9.574 -5.703 -0.088 147 HG22 VAL 18 1HG2 VAL 18 -10.039 -6.851 -1.342 148 HG23 VAL 18 2HG2 VAL 18 -11.012 -5.405 -1.065 149 H GLN 19 H GLN 19 -7.408 -5.799 -4.530 150 HA GLN 19 HA GLN 19 -6.460 -3.318 -5.389 151 HB2 GLN 19 2HB GLN 19 -5.018 -5.266 -5.035 152 HB3 GLN 19 3HB GLN 19 -5.791 -6.127 -6.357 153 HG2 GLN 19 2HG GLN 19 -4.857 -4.455 -7.949 154 HG3 GLN 19 3HG GLN 19 -4.037 -3.663 -6.604 155 HE21 GLN 19 1HE2 GLN 19 -3.316 -6.151 -5.236 156 HE22 GLN 19 2HE2 GLN 19 -2.066 -6.874 -6.180 157 H GLU 20 H GLU 20 -8.068 -5.894 -7.249 158 HA GLU 20 HA GLU 20 -8.001 -4.700 -9.807 159 HB2 GLU 20 2HB GLU 20 -9.935 -6.745 -8.635 160 HB3 GLU 20 3HB GLU 20 -9.823 -6.353 -10.349 161 HG2 GLU 20 2HG GLU 20 -7.543 -7.227 -10.456 162 HG3 GLU 20 3HG GLU 20 -7.528 -7.484 -8.711 163 H ARG 21 H ARG 21 -10.476 -4.677 -7.254 164 HA ARG 21 HA ARG 21 -12.468 -3.260 -8.709 165 HB2 ARG 21 2HB ARG 21 -12.102 -3.586 -5.696 166 HB3 ARG 21 3HB ARG 21 -13.549 -2.941 -6.462 167 HG2 ARG 21 2HG ARG 21 -12.477 -5.759 -6.759 168 HG3 ARG 21 3HG ARG 21 -13.874 -5.267 -5.806 169 HD2 ARG 21 2HD ARG 21 -15.027 -4.561 -7.879 170 HD3 ARG 21 3HD ARG 21 -13.620 -5.069 -8.825 171 HE ARG 21 HE ARG 21 -14.738 -7.140 -7.149 172 HH11 ARG 21 1HH1 ARG 21 -14.920 -5.652 -10.341 173 HH12 ARG 21 2HH1 ARG 21 -15.634 -7.049 -11.080 174 HH21 ARG 21 1HH2 ARG 21 -15.664 -8.954 -8.129 175 HH22 ARG 21 2HH2 ARG 21 -16.055 -8.926 -9.819 176 H ALA 22 H ALA 22 -9.816 -2.252 -6.609 177 HA ALA 22 HA ALA 22 -10.735 0.459 -6.239 178 HB1 ALA 22 3HB ALA 22 -8.038 -0.782 -5.583 179 HB2 ALA 22 1HB ALA 22 -9.432 -0.709 -4.504 180 HB3 ALA 22 2HB ALA 22 -8.635 0.780 -5.013 181 H LYS 23 H LYS 23 -8.338 -1.157 -8.315 182 HA LYS 23 HA LYS 23 -7.282 1.277 -9.459 183 HB2 LYS 23 2HB LYS 23 -7.011 -1.625 -10.346 184 HB3 LYS 23 3HB LYS 23 -6.152 -0.276 -11.084 185 HG2 LYS 23 2HG LYS 23 -5.003 0.170 -8.924 186 HG3 LYS 23 3HG LYS 23 -5.849 -1.203 -8.205 187 HD2 LYS 23 2HD LYS 23 -3.570 -1.858 -8.852 188 HD3 LYS 23 3HD LYS 23 -4.753 -2.729 -9.833 189 HE2 LYS 23 2HE LYS 23 -4.390 -1.058 -11.665 190 HE3 LYS 23 3HE LYS 23 -3.133 -0.301 -10.684 191 HZ1 LYS 23 3HZ LYS 23 -3.121 -3.057 -11.782 192 HZ2 LYS 23 1HZ LYS 23 -1.969 -2.465 -10.696 193 HZ3 LYS 23 2HZ LYS 23 -2.119 -1.768 -12.227 194 H HIS 24 H HIS 24 -9.799 -1.049 -10.328 195 HA HIS 24 HA HIS 24 -10.280 -0.075 -12.977 196 HB2 HIS 24 2HB HIS 24 -11.008 -2.339 -12.194 197 HB3 HIS 24 3HB HIS 24 -12.182 -1.585 -11.122 198 HD1 HIS 24 HD1 HIS 24 -11.723 -2.779 -14.564 199 HD2 HIS 24 HD2 HIS 24 -14.374 -0.277 -12.572 200 HE1 HIS 24 HE1 HIS 24 -13.733 -2.585 -16.056 201 HE2 HIS 24 HE2 HIS 24 -15.364 -1.184 -14.767 202 H ASN 25 H ASN 25 -11.947 0.371 -9.869 203 HA ASN 25 HA ASN 25 -13.890 2.244 -10.729 204 HB2 ASN 25 2HB ASN 25 -14.051 0.801 -8.665 205 HB3 ASN 25 3HB ASN 25 -12.815 1.797 -7.902 206 HD21 ASN 25 1HD2 ASN 25 -14.218 2.366 -6.226 207 HD22 ASN 25 2HD2 ASN 25 -15.541 3.456 -6.443 208 H TYR 26 H TYR 26 -10.600 2.613 -9.482 209 HA TYR 26 HA TYR 26 -10.736 5.546 -9.963 210 HB2 TYR 26 2HB TYR 26 -8.962 4.178 -7.885 211 HB3 TYR 26 3HB TYR 26 -9.170 5.910 -8.129 212 HD1 TYR 26 HD1 TYR 26 -11.661 6.794 -7.864 213 HD2 TYR 26 HD2 TYR 26 -10.234 3.137 -6.166 214 HE1 TYR 26 HE1 TYR 26 -13.517 6.808 -6.263 215 HE2 TYR 26 HE2 TYR 26 -12.095 3.160 -4.559 216 HH TYR 26 HH TYR 26 -14.758 5.330 -4.876 217 HA PRO 27 HA PRO 27 -7.487 3.701 -12.799 218 HB2 PRO 27 2HB PRO 27 -8.207 5.036 -15.082 219 HB3 PRO 27 3HB PRO 27 -9.017 3.546 -14.557 220 HG2 PRO 27 2HG PRO 27 -9.916 6.389 -14.203 221 HG3 PRO 27 3HG PRO 27 -10.860 4.970 -14.712 222 HD2 PRO 27 2HD PRO 27 -10.907 5.925 -12.151 223 HD3 PRO 27 3HD PRO 27 -11.133 4.203 -12.534 224 H GLY 28 H GLY 28 -8.543 7.007 -12.183 225 HA2 GLY 28 2HA GLY 28 -6.131 8.299 -13.128 226 HA3 GLY 28 3HA GLY 28 -7.457 9.048 -12.257 227 H ARG 29 H ARG 29 -6.887 6.569 -10.323 228 HA ARG 29 HA ARG 29 -4.835 7.946 -8.694 229 HB2 ARG 29 2HB ARG 29 -6.976 5.928 -7.887 230 HB3 ARG 29 3HB ARG 29 -5.792 6.626 -6.789 231 HG2 ARG 29 2HG ARG 29 -7.846 8.263 -8.312 232 HG3 ARG 29 3HG ARG 29 -8.097 7.651 -6.680 233 HD2 ARG 29 2HD ARG 29 -7.420 9.936 -6.484 234 HD3 ARG 29 3HD ARG 29 -6.050 8.953 -5.966 235 HE ARG 29 HE ARG 29 -5.950 9.726 -8.751 236 HH11 ARG 29 1HH1 ARG 29 -5.151 10.812 -5.491 237 HH12 ARG 29 2HH1 ARG 29 -3.916 11.903 -6.029 238 HH21 ARG 29 1HH2 ARG 29 -4.289 11.134 -9.437 239 HH22 ARG 29 2HH2 ARG 29 -3.429 12.081 -8.264 240 H GLU 30 H GLU 30 -2.883 7.115 -9.091 241 HA GLU 30 HA GLU 30 -2.298 4.524 -10.054 242 HB2 GLU 30 2HB GLU 30 -0.464 6.451 -8.571 243 HB3 GLU 30 3HB GLU 30 0.063 5.049 -9.499 244 HG2 GLU 30 2HG GLU 30 -0.834 6.117 -11.561 245 HG3 GLU 30 3HG GLU 30 -1.290 7.528 -10.605 246 H ILE 31 H ILE 31 -2.463 2.674 -8.953 247 HA ILE 31 HA ILE 31 -1.756 2.572 -6.069 248 HB ILE 31 HB ILE 31 -3.687 0.772 -7.609 249 HG12 ILE 31 2HG1 ILE 31 -4.248 2.789 -5.374 250 HG13 ILE 31 3HG1 ILE 31 -4.626 3.028 -7.075 251 HG21 ILE 31 1HG2 ILE 31 -2.434 -0.516 -5.935 252 HG22 ILE 31 2HG2 ILE 31 -4.115 -0.334 -5.430 253 HG23 ILE 31 3HG2 ILE 31 -2.857 0.658 -4.685 254 HD11 ILE 31 3HD1 ILE 31 -5.850 0.959 -5.255 255 HD12 ILE 31 1HD1 ILE 31 -6.202 1.151 -6.976 256 HD13 ILE 31 2HD1 ILE 31 -6.602 2.441 -5.843 257 H ARG 32 H ARG 32 -0.064 1.316 -5.589 258 HA ARG 32 HA ARG 32 1.282 -0.179 -7.766 259 HB2 ARG 32 2HB ARG 32 2.541 1.162 -5.326 260 HB3 ARG 32 3HB ARG 32 3.396 0.423 -6.673 261 HG2 ARG 32 2HG ARG 32 1.730 2.959 -6.773 262 HG3 ARG 32 3HG ARG 32 3.487 2.856 -6.835 263 HD2 ARG 32 2HD ARG 32 3.292 1.601 -8.987 264 HD3 ARG 32 3HD ARG 32 1.546 1.825 -8.923 265 HE ARG 32 HE ARG 32 1.900 4.214 -9.176 266 HH11 ARG 32 1HH1 ARG 32 4.690 2.198 -9.912 267 HH12 ARG 32 2HH1 ARG 32 5.435 3.397 -10.918 268 HH21 ARG 32 1HH2 ARG 32 2.881 5.757 -10.578 269 HH22 ARG 32 2HH2 ARG 32 4.421 5.395 -11.289 270 H THR 33 H THR 33 2.110 -2.232 -7.287 271 HA THR 33 HA THR 33 1.192 -3.476 -4.748 272 HB THR 33 HB THR 33 1.440 -4.794 -7.494 273 HG1 THR 33 HG1 THR 33 -0.813 -4.709 -7.504 274 HG21 THR 33 3HG2 THR 33 0.296 -5.870 -4.879 275 HG22 THR 33 1HG2 THR 33 1.786 -6.413 -5.658 276 HG23 THR 33 2HG2 THR 33 0.229 -6.693 -6.440 277 H ALA 34 H ALA 34 2.884 -3.915 -3.479 278 HA ALA 34 HA ALA 34 5.556 -4.415 -4.527 279 HB1 ALA 34 3HB ALA 34 4.559 -4.245 -1.668 280 HB2 ALA 34 1HB ALA 34 5.309 -2.942 -2.590 281 HB3 ALA 34 2HB ALA 34 6.250 -4.371 -2.162 282 H THR 35 H THR 35 6.014 -6.386 -5.197 283 HA THR 35 HA THR 35 4.856 -8.808 -3.985 284 HB THR 35 HB THR 35 6.680 -8.514 -6.427 285 HG1 THR 35 HG1 THR 35 4.679 -7.451 -6.731 286 HG21 THR 35 3HG2 THR 35 4.904 -10.853 -5.593 287 HG22 THR 35 1HG2 THR 35 6.669 -10.827 -5.511 288 HG23 THR 35 2HG2 THR 35 5.856 -10.752 -7.075 289 H SER 36 H SER 36 7.776 -6.907 -4.042 290 HA SER 36 HA SER 36 9.240 -8.789 -2.348 291 HB2 SER 36 2HB SER 36 10.327 -7.842 -5.044 292 HB3 SER 36 3HB SER 36 11.243 -8.756 -3.841 293 HG SER 36 HG SER 36 9.145 -10.195 -4.182 294 H SER 37 H SER 37 11.552 -7.764 -1.932 295 HA SER 37 HA SER 37 11.154 -5.386 -0.440 296 HB2 SER 37 2HB SER 37 13.784 -6.735 -1.199 297 HB3 SER 37 3HB SER 37 13.532 -5.625 0.150 298 HG SER 37 HG SER 37 13.118 -8.292 0.024 299 H GLN 38 H GLN 38 12.225 -5.947 -3.698 300 HA GLN 38 HA GLN 38 13.673 -3.554 -4.173 301 HB2 GLN 38 2HB GLN 38 13.860 -5.517 -5.674 302 HB3 GLN 38 3HB GLN 38 12.175 -5.340 -6.149 303 HG2 GLN 38 2HG GLN 38 13.705 -4.475 -7.883 304 HG3 GLN 38 3HG GLN 38 12.677 -3.195 -7.239 305 HE21 GLN 38 1HE2 GLN 38 15.942 -4.477 -7.330 306 HE22 GLN 38 2HE2 GLN 38 16.723 -3.056 -6.733 307 H ASP 39 H ASP 39 10.287 -4.514 -4.670 308 HA ASP 39 HA ASP 39 9.367 -2.174 -5.939 309 HB2 ASP 39 2HB ASP 39 7.754 -4.082 -4.193 310 HB3 ASP 39 3HB ASP 39 7.100 -2.954 -5.375 311 H ILE 40 H ILE 40 9.592 -3.093 -2.546 312 HA ILE 40 HA ILE 40 8.275 -1.060 -1.221 313 HB ILE 40 HB ILE 40 10.839 -2.554 -0.550 314 HG12 ILE 40 2HG1 ILE 40 8.868 -3.981 -0.662 315 HG13 ILE 40 3HG1 ILE 40 9.367 -3.825 1.013 316 HG21 ILE 40 1HG2 ILE 40 9.340 -0.695 1.316 317 HG22 ILE 40 2HG2 ILE 40 10.991 -0.499 0.724 318 HG23 ILE 40 3HG2 ILE 40 10.597 -1.829 1.815 319 HD11 ILE 40 3HD1 ILE 40 6.977 -3.785 0.847 320 HD12 ILE 40 1HD1 ILE 40 7.028 -2.442 -0.293 321 HD13 ILE 40 2HD1 ILE 40 7.542 -2.204 1.381 322 H ARG 41 H ARG 41 11.737 -1.059 -2.146 323 HA ARG 41 HA ARG 41 12.204 1.660 -1.385 324 HB2 ARG 41 2HB ARG 41 13.864 -0.215 -3.126 325 HB3 ARG 41 3HB ARG 41 14.424 1.317 -2.459 326 HG2 ARG 41 2HG ARG 41 13.971 0.379 -0.157 327 HG3 ARG 41 3HG ARG 41 13.671 -1.182 -0.918 328 HD2 ARG 41 2HD ARG 41 15.931 -1.401 -1.609 329 HD3 ARG 41 3HD ARG 41 16.268 0.316 -1.351 330 HE ARG 41 HE ARG 41 15.522 -0.737 1.112 331 HH11 ARG 41 1HH1 ARG 41 18.161 -1.154 -1.182 332 HH12 ARG 41 2HH1 ARG 41 19.318 -1.600 0.033 333 HH21 ARG 41 1HH2 ARG 41 17.056 -1.308 2.710 334 HH22 ARG 41 2HH2 ARG 41 18.684 -1.683 2.247 335 H ASP 42 H ASP 42 11.243 0.078 -4.338 336 HA ASP 42 HA ASP 42 11.960 2.087 -6.223 337 HB2 ASP 42 2HB ASP 42 11.674 -0.233 -6.923 338 HB3 ASP 42 3HB ASP 42 10.013 -0.262 -6.350 339 H ILE 43 H ILE 43 8.956 1.323 -4.478 340 HA ILE 43 HA ILE 43 7.332 3.236 -5.874 341 HB ILE 43 HB ILE 43 6.769 1.747 -3.261 342 HG12 ILE 43 2HG1 ILE 43 5.610 1.144 -6.027 343 HG13 ILE 43 3HG1 ILE 43 7.066 0.362 -5.430 344 HG21 ILE 43 1HG2 ILE 43 4.894 3.390 -5.013 345 HG22 ILE 43 2HG2 ILE 43 5.388 3.761 -3.359 346 HG23 ILE 43 3HG2 ILE 43 4.376 2.358 -3.683 347 HD11 ILE 43 3HD1 ILE 43 5.121 -1.052 -5.147 348 HD12 ILE 43 1HD1 ILE 43 4.334 0.179 -4.158 349 HD13 ILE 43 2HD1 ILE 43 5.805 -0.613 -3.584 350 H ILE 44 H ILE 44 8.928 3.158 -2.652 351 HA ILE 44 HA ILE 44 8.167 5.731 -1.774 352 HB ILE 44 HB ILE 44 10.734 4.189 -1.137 353 HG12 ILE 44 2HG1 ILE 44 8.121 4.363 0.447 354 HG13 ILE 44 3HG1 ILE 44 8.605 2.996 -0.547 355 HG21 ILE 44 1HG2 ILE 44 10.929 5.602 0.893 356 HG22 ILE 44 2HG2 ILE 44 9.536 6.553 0.374 357 HG23 ILE 44 3HG2 ILE 44 11.022 6.580 -0.575 358 HD11 ILE 44 3HD1 ILE 44 8.987 2.538 1.785 359 HD12 ILE 44 1HD1 ILE 44 10.016 3.964 1.935 360 HD13 ILE 44 2HD1 ILE 44 10.523 2.609 0.922 361 H LYS 45 H LYS 45 10.852 4.627 -3.814 362 HA LYS 45 HA LYS 45 12.226 7.050 -4.222 363 HB2 LYS 45 2HB LYS 45 12.935 4.662 -4.881 364 HB3 LYS 45 3HB LYS 45 11.896 4.823 -6.284 365 HG2 LYS 45 2HG LYS 45 14.170 5.248 -6.957 366 HG3 LYS 45 3HG LYS 45 13.284 6.773 -7.028 367 HD2 LYS 45 2HD LYS 45 15.518 7.104 -6.048 368 HD3 LYS 45 3HD LYS 45 14.263 7.450 -4.857 369 HE2 LYS 45 2HE LYS 45 14.613 5.113 -3.934 370 HE3 LYS 45 3HE LYS 45 15.988 4.952 -5.030 371 HZ1 LYS 45 3HZ LYS 45 16.613 5.651 -2.778 372 HZ2 LYS 45 1HZ LYS 45 15.724 7.073 -2.968 373 HZ3 LYS 45 2HZ LYS 45 17.070 6.775 -3.948 374 H SER 46 H SER 46 9.469 5.591 -5.899 375 HA SER 46 HA SER 46 9.167 7.542 -7.953 376 HB2 SER 46 2HB SER 46 7.167 5.522 -6.846 377 HB3 SER 46 3HB SER 46 6.966 6.438 -8.341 378 HG SER 46 HG SER 46 9.329 4.971 -8.049 379 H MET 47 H MET 47 7.984 7.284 -4.637 380 HA MET 47 HA MET 47 6.034 9.381 -4.791 381 HB2 MET 47 2HB MET 47 7.469 8.258 -2.342 382 HB3 MET 47 3HB MET 47 6.096 9.358 -2.295 383 HG2 MET 47 2HG MET 47 4.798 7.561 -3.575 384 HG3 MET 47 3HG MET 47 6.140 6.484 -3.200 385 HE1 MET 47 3HE MET 47 4.534 9.374 -1.051 386 HE2 MET 47 1HE MET 47 3.392 8.448 -0.080 387 HE3 MET 47 2HE MET 47 3.162 8.575 -1.823 388 H LYS 48 H LYS 48 9.486 9.222 -4.007 389 HA LYS 48 HA LYS 48 9.753 11.871 -3.018 390 HB2 LYS 48 2HB LYS 48 11.888 10.040 -4.184 391 HB3 LYS 48 3HB LYS 48 12.213 11.530 -3.308 392 HG2 LYS 48 2HG LYS 48 11.032 8.969 -2.211 393 HG3 LYS 48 3HG LYS 48 12.590 9.683 -1.818 394 HD2 LYS 48 2HD LYS 48 9.847 10.755 -1.055 395 HD3 LYS 48 3HD LYS 48 11.032 10.022 0.022 396 HE2 LYS 48 2HE LYS 48 11.311 12.677 -1.422 397 HE3 LYS 48 3HE LYS 48 11.041 12.439 0.301 398 HZ1 LYS 48 3HZ LYS 48 13.451 11.492 -1.139 399 HZ2 LYS 48 1HZ LYS 48 13.197 11.488 0.529 400 HZ3 LYS 48 2HZ LYS 48 13.359 12.951 -0.300 401 H ASP 49 H ASP 49 9.357 10.791 -6.252 402 HA ASP 49 HA ASP 49 10.844 12.829 -7.606 403 HB2 ASP 49 2HB ASP 49 8.556 11.059 -8.537 404 HB3 ASP 49 3HB ASP 49 9.365 12.205 -9.601 405 H ASN 50 H ASN 50 7.969 13.080 -5.813 406 HA ASN 50 HA ASN 50 7.436 15.766 -6.866 407 HB2 ASN 50 2HB ASN 50 5.987 14.198 -8.217 408 HB3 ASN 50 3HB ASN 50 5.202 13.681 -6.727 409 HD21 ASN 50 1HD2 ASN 50 3.855 15.222 -5.611 410 HD22 ASN 50 2HD2 ASN 50 3.202 16.592 -6.434 411 H GLY 51 H GLY 51 7.078 13.351 -4.393 412 HA2 GLY 51 2HA GLY 51 6.373 13.398 -2.209 413 HA3 GLY 51 3HA GLY 51 6.212 15.147 -2.317 414 H LYS 52 H LYS 52 4.717 12.593 -4.275 415 HA LYS 52 HA LYS 52 2.027 13.697 -3.713 416 HB2 LYS 52 2HB LYS 52 1.340 12.696 -5.864 417 HB3 LYS 52 3HB LYS 52 2.678 13.810 -6.062 418 HG2 LYS 52 2HG LYS 52 3.376 12.115 -7.461 419 HG3 LYS 52 3HG LYS 52 4.153 11.602 -5.968 420 HD2 LYS 52 2HD LYS 52 3.112 9.689 -7.119 421 HD3 LYS 52 3HD LYS 52 2.313 9.979 -5.571 422 HE2 LYS 52 2HE LYS 52 0.458 11.121 -6.731 423 HE3 LYS 52 3HE LYS 52 1.269 10.891 -8.283 424 HZ1 LYS 52 3HZ LYS 52 1.031 8.542 -8.072 425 HZ2 LYS 52 1HZ LYS 52 -0.486 9.251 -7.833 426 HZ3 LYS 52 2HZ LYS 52 0.399 8.681 -6.508 427 HA PRO 53 HA PRO 53 0.889 9.963 -1.578 428 HB2 PRO 53 2HB PRO 53 -1.805 9.787 -1.983 429 HB3 PRO 53 3HB PRO 53 -1.067 11.087 -1.022 430 HG2 PRO 53 2HG PRO 53 -1.966 11.160 -3.891 431 HG3 PRO 53 3HG PRO 53 -2.262 12.338 -2.590 432 HD2 PRO 53 2HD PRO 53 -0.297 12.687 -4.446 433 HD3 PRO 53 3HD PRO 53 -0.139 13.275 -2.774 434 H LEU 54 H LEU 54 0.531 7.771 -1.722 435 HA LEU 54 HA LEU 54 -0.420 6.499 -4.194 436 HB2 LEU 54 2HB LEU 54 2.393 6.213 -3.100 437 HB3 LEU 54 3HB LEU 54 1.647 4.804 -3.830 438 HG LEU 54 HG LEU 54 2.101 7.462 -5.259 439 HD11 LEU 54 1HD1 LEU 54 3.609 4.842 -5.567 440 HD12 LEU 54 2HD1 LEU 54 4.226 6.332 -4.850 441 HD13 LEU 54 3HD1 LEU 54 3.823 6.288 -6.561 442 HD21 LEU 54 3HD2 LEU 54 0.136 6.333 -6.134 443 HD22 LEU 54 1HD2 LEU 54 1.027 4.817 -6.308 444 HD23 LEU 54 2HD2 LEU 54 1.448 6.219 -7.302 445 H VAL 55 H VAL 55 -0.803 4.117 -3.875 446 HA VAL 55 HA VAL 55 -1.272 3.326 -1.043 447 HB VAL 55 HB VAL 55 -3.051 2.507 -3.408 448 HG11 VAL 55 1HG1 VAL 55 -3.004 0.851 -1.596 449 HG12 VAL 55 2HG1 VAL 55 -4.583 1.629 -1.671 450 HG13 VAL 55 3HG1 VAL 55 -3.432 2.091 -0.414 451 HG21 VAL 55 3HG2 VAL 55 -4.803 4.005 -2.502 452 HG22 VAL 55 1HG2 VAL 55 -3.370 4.912 -2.996 453 HG23 VAL 55 2HG2 VAL 55 -3.672 4.602 -1.286 454 H VAL 56 H VAL 56 0.182 1.725 -0.604 455 HA VAL 56 HA VAL 56 1.107 -0.087 -2.754 456 HB VAL 56 HB VAL 56 2.278 0.425 0.020 457 HG11 VAL 56 1HG1 VAL 56 2.781 -1.882 -0.706 458 HG12 VAL 56 2HG1 VAL 56 4.238 -0.892 -0.719 459 HG13 VAL 56 3HG1 VAL 56 3.425 -1.278 -2.237 460 HG21 VAL 56 3HG2 VAL 56 4.076 1.600 -1.179 461 HG22 VAL 56 1HG2 VAL 56 2.511 2.345 -1.496 462 HG23 VAL 56 2HG2 VAL 56 3.260 1.313 -2.716 463 H PHE 57 H PHE 57 -0.146 -1.872 -2.916 464 HA PHE 57 HA PHE 57 -0.996 -3.403 -0.561 465 HB2 PHE 57 2HB PHE 57 -1.288 -3.844 -3.572 466 HB3 PHE 57 3HB PHE 57 -1.739 -5.074 -2.400 467 HD1 PHE 57 HD1 PHE 57 -2.404 -1.406 -3.018 468 HD2 PHE 57 HD2 PHE 57 -4.000 -5.201 -1.867 469 HE1 PHE 57 HE1 PHE 57 -4.665 -0.429 -2.881 470 HE2 PHE 57 HE2 PHE 57 -6.243 -4.217 -1.731 471 HZ PHE 57 HZ PHE 57 -6.580 -1.831 -2.234 472 H VAL 58 H VAL 58 0.768 -4.374 0.459 473 HA VAL 58 HA VAL 58 2.808 -5.757 -1.120 474 HB VAL 58 HB VAL 58 3.716 -6.620 1.056 475 HG11 VAL 58 1HG1 VAL 58 4.656 -4.593 0.114 476 HG12 VAL 58 2HG1 VAL 58 4.621 -4.452 1.869 477 HG13 VAL 58 3HG1 VAL 58 3.420 -3.601 0.889 478 HG21 VAL 58 3HG2 VAL 58 2.960 -5.673 3.203 479 HG22 VAL 58 1HG2 VAL 58 1.701 -6.647 2.441 480 HG23 VAL 58 2HG2 VAL 58 1.604 -4.888 2.384 481 H ASN 59 H ASN 59 2.166 -7.500 -2.183 482 HA ASN 59 HA ASN 59 -0.230 -8.931 -1.520 483 HB2 ASN 59 2HB ASN 59 0.390 -8.511 -3.876 484 HB3 ASN 59 3HB ASN 59 1.831 -9.510 -3.692 485 HD21 ASN 59 1HD2 ASN 59 1.195 -11.009 -5.276 486 HD22 ASN 59 2HD2 ASN 59 -0.115 -12.112 -5.042 487 H GLY 60 H GLY 60 0.253 -9.759 0.551 488 HA2 GLY 60 2HA GLY 60 0.842 -11.339 2.086 489 HA3 GLY 60 3HA GLY 60 0.965 -12.447 0.725 490 H ALA 61 H ALA 61 2.884 -9.552 1.212 491 HA ALA 61 HA ALA 61 5.366 -10.943 0.808 492 HB1 ALA 61 3HB ALA 61 4.835 -8.035 1.513 493 HB2 ALA 61 1HB ALA 61 4.961 -8.698 -0.120 494 HB3 ALA 61 2HB ALA 61 6.368 -8.699 0.943 495 H SER 62 H SER 62 7.254 -10.089 2.386 496 HA SER 62 HA SER 62 6.763 -11.402 4.917 497 HB2 SER 62 2HB SER 62 8.903 -11.736 3.725 498 HB3 SER 62 3HB SER 62 9.254 -10.009 3.823 499 HG SER 62 HG SER 62 9.131 -11.910 5.926 500 H GLN 63 H GLN 63 6.926 -10.459 6.985 501 HA GLN 63 HA GLN 63 6.113 -7.808 7.451 502 HB2 GLN 63 2HB GLN 63 5.835 -9.600 9.116 503 HB3 GLN 63 3HB GLN 63 7.576 -9.765 9.278 504 HG2 GLN 63 2HG GLN 63 6.607 -8.597 11.201 505 HG3 GLN 63 3HG GLN 63 7.710 -7.543 10.322 506 HE21 GLN 63 1HE2 GLN 63 6.882 -5.692 9.321 507 HE22 GLN 63 2HE2 GLN 63 5.270 -5.131 9.584 508 H ASN 64 H ASN 64 9.260 -9.179 6.833 509 HA ASN 64 HA ASN 64 10.950 -7.218 7.937 510 HB2 ASN 64 2HB ASN 64 11.442 -9.052 5.549 511 HB3 ASN 64 3HB ASN 64 12.688 -8.103 6.362 512 HD21 ASN 64 1HD2 ASN 64 13.877 -9.898 6.991 513 HD22 ASN 64 2HD2 ASN 64 13.329 -11.020 8.189 514 H ASP 65 H ASP 65 9.772 -7.557 4.532 515 HA ASP 65 HA ASP 65 11.050 -5.151 3.645 516 HB2 ASP 65 2HB ASP 65 9.822 -5.433 1.533 517 HB3 ASP 65 3HB ASP 65 10.548 -6.935 2.037 518 H VAL 66 H VAL 66 7.859 -5.899 4.911 519 HA VAL 66 HA VAL 66 6.573 -3.428 4.642 520 HB VAL 66 HB VAL 66 6.409 -5.556 6.819 521 HG11 VAL 66 1HG1 VAL 66 5.693 -3.436 7.851 522 HG12 VAL 66 2HG1 VAL 66 4.330 -4.533 7.646 523 HG13 VAL 66 3HG1 VAL 66 4.540 -3.177 6.542 524 HG21 VAL 66 3HG2 VAL 66 4.293 -6.187 5.703 525 HG22 VAL 66 1HG2 VAL 66 5.655 -6.256 4.582 526 HG23 VAL 66 2HG2 VAL 66 4.526 -4.901 4.516 527 H ASN 67 H ASN 67 8.860 -4.551 7.164 528 HA ASN 67 HA ASN 67 8.798 -2.216 8.784 529 HB2 ASN 67 2HB ASN 67 11.086 -4.208 8.455 530 HB3 ASN 67 3HB ASN 67 10.947 -3.025 9.756 531 HD21 ASN 67 1HD2 ASN 67 11.123 -5.932 9.870 532 HD22 ASN 67 2HD2 ASN 67 9.716 -6.460 10.727 533 H GLU 68 H GLU 68 10.878 -3.244 6.097 534 HA GLU 68 HA GLU 68 12.670 -1.076 6.077 535 HB2 GLU 68 2HB GLU 68 11.766 -2.731 3.677 536 HB3 GLU 68 3HB GLU 68 13.231 -1.761 3.782 537 HG2 GLU 68 2HG GLU 68 12.612 -4.252 5.382 538 HG3 GLU 68 3HG GLU 68 13.738 -4.134 4.039 539 H PHE 69 H PHE 69 9.500 -1.542 4.607 540 HA PHE 69 HA PHE 69 9.394 0.765 3.000 541 HB2 PHE 69 2HB PHE 69 7.797 -1.188 2.873 542 HB3 PHE 69 3HB PHE 69 7.047 -0.641 4.369 543 HD1 PHE 69 HD2 PHE 69 7.581 0.148 0.788 544 HD2 PHE 69 HD1 PHE 69 5.525 1.275 4.369 545 HE1 PHE 69 HE2 PHE 69 6.143 1.662 -0.503 546 HE2 PHE 69 HE1 PHE 69 4.098 2.782 3.067 547 HZ PHE 69 HZ PHE 69 4.408 2.977 0.635 548 H GLN 70 H GLN 70 8.343 0.149 6.321 549 HA GLN 70 HA GLN 70 7.253 2.700 6.886 550 HB2 GLN 70 2HB GLN 70 8.343 0.537 8.730 551 HB3 GLN 70 3HB GLN 70 7.420 1.932 9.281 552 HG2 GLN 70 2HG GLN 70 5.443 1.162 8.076 553 HG3 GLN 70 3HG GLN 70 6.358 -0.162 7.355 554 HE21 GLN 70 1HE2 GLN 70 6.902 -1.951 8.638 555 HE22 GLN 70 2HE2 GLN 70 6.154 -2.260 10.164 556 H ASN 71 H ASN 71 10.479 1.300 7.344 557 HA ASN 71 HA ASN 71 11.683 3.351 8.890 558 HB2 ASN 71 2HB ASN 71 12.933 1.267 7.027 559 HB3 ASN 71 3HB ASN 71 13.873 2.318 8.080 560 HD21 ASN 71 1HD2 ASN 71 13.561 -0.655 7.982 561 HD22 ASN 71 2HD2 ASN 71 13.120 -1.099 9.592 562 H GLU 72 H GLU 72 11.740 2.630 5.428 563 HA GLU 72 HA GLU 72 13.381 4.871 4.731 564 HB2 GLU 72 2HB GLU 72 11.846 2.917 2.986 565 HB3 GLU 72 3HB GLU 72 13.017 4.097 2.394 566 HG2 GLU 72 2HG GLU 72 14.795 3.014 3.736 567 HG3 GLU 72 3HG GLU 72 13.624 1.840 4.331 568 H ALA 73 H ALA 73 9.955 4.386 5.041 569 HA ALA 73 HA ALA 73 9.172 6.721 3.561 570 HB1 ALA 73 3HB ALA 73 7.669 5.234 5.742 571 HB2 ALA 73 1HB ALA 73 7.592 4.891 4.013 572 HB3 ALA 73 2HB ALA 73 6.988 6.429 4.631 573 H LYS 74 H LYS 74 9.651 6.048 7.087 574 HA LYS 74 HA LYS 74 8.889 8.666 7.907 575 HB2 LYS 74 2HB LYS 74 9.703 8.039 10.186 576 HB3 LYS 74 3HB LYS 74 8.566 6.913 9.491 577 HG2 LYS 74 2HG LYS 74 10.070 5.478 10.507 578 HG3 LYS 74 3HG LYS 74 10.676 5.510 8.854 579 HD2 LYS 74 2HD LYS 74 12.522 5.621 10.470 580 HD3 LYS 74 3HD LYS 74 12.438 7.113 9.531 581 HE2 LYS 74 2HE LYS 74 11.362 8.267 11.412 582 HE3 LYS 74 3HE LYS 74 11.316 6.764 12.337 583 HZ1 LYS 74 3HZ LYS 74 13.162 8.247 12.951 584 HZ2 LYS 74 1HZ LYS 74 13.819 8.065 11.406 585 HZ3 LYS 74 2HZ LYS 74 13.689 6.728 12.429 586 H LYS 75 H LYS 75 12.046 7.279 7.133 587 HA LYS 75 HA LYS 75 13.584 9.448 8.227 588 HB2 LYS 75 2HB LYS 75 15.508 8.498 7.060 589 HB3 LYS 75 3HB LYS 75 14.587 7.214 7.833 590 HG2 LYS 75 2HG LYS 75 13.569 6.638 5.648 591 HG3 LYS 75 3HG LYS 75 14.520 7.906 4.875 592 HD2 LYS 75 2HD LYS 75 15.655 5.468 6.303 593 HD3 LYS 75 3HD LYS 75 15.514 5.659 4.554 594 HE2 LYS 75 2HE LYS 75 17.244 7.324 6.415 595 HE3 LYS 75 3HE LYS 75 17.802 6.124 5.251 596 HZ1 LYS 75 3HZ LYS 75 18.088 8.340 4.384 597 HZ2 LYS 75 1HZ LYS 75 16.445 8.686 4.589 598 HZ3 LYS 75 2HZ LYS 75 16.932 7.525 3.466 599 H GLU 76 H GLU 76 11.991 8.896 5.151 600 HA GLU 76 HA GLU 76 13.112 11.303 3.908 601 HB2 GLU 76 2HB GLU 76 10.968 9.394 2.870 602 HB3 GLU 76 3HB GLU 76 11.750 10.670 1.946 603 HG2 GLU 76 2HG GLU 76 13.062 8.159 3.021 604 HG3 GLU 76 3HG GLU 76 12.668 8.502 1.339 605 H GLY 77 H GLY 77 10.604 10.568 6.033 606 HA2 GLY 77 2HA GLY 77 9.145 12.044 7.074 607 HA3 GLY 77 3HA GLY 77 9.386 13.209 5.782 608 H VAL 78 H VAL 78 8.789 10.349 4.268 609 HA VAL 78 HA VAL 78 6.228 11.039 3.302 610 HB VAL 78 HB VAL 78 7.670 8.339 3.173 611 HG11 VAL 78 1HG1 VAL 78 5.308 9.311 1.518 612 HG12 VAL 78 2HG1 VAL 78 5.275 8.033 2.735 613 HG13 VAL 78 3HG1 VAL 78 6.199 7.810 1.249 614 HG21 VAL 78 3HG2 VAL 78 8.997 10.132 2.134 615 HG22 VAL 78 1HG2 VAL 78 7.620 10.602 1.133 616 HG23 VAL 78 2HG2 VAL 78 8.387 9.028 0.901 617 H SER 79 H SER 79 4.505 11.070 4.563 618 HA SER 79 HA SER 79 4.179 9.681 7.006 619 HB2 SER 79 2HB SER 79 2.129 11.199 5.335 620 HB3 SER 79 3HB SER 79 1.951 10.752 7.035 621 HG SER 79 HG SER 79 4.259 12.157 6.383 622 H TYR 80 H TYR 80 4.300 7.485 6.640 623 HA TYR 80 HA TYR 80 2.546 6.125 4.774 624 HB2 TYR 80 2HB TYR 80 3.661 4.072 5.501 625 HB3 TYR 80 3HB TYR 80 4.863 5.305 5.167 626 HD1 TYR 80 HD2 TYR 80 6.100 6.415 7.075 627 HD2 TYR 80 HD1 TYR 80 3.446 3.134 7.768 628 HE1 TYR 80 HE2 TYR 80 7.076 6.085 9.299 629 HE2 TYR 80 HE1 TYR 80 4.432 2.814 9.995 630 HH TYR 80 HH TYR 80 6.500 3.322 11.206 631 H ASP 81 H ASP 81 0.975 4.596 5.382 632 HA ASP 81 HA ASP 81 -0.104 4.785 8.134 633 HB2 ASP 81 2HB ASP 81 -1.395 6.118 6.310 634 HB3 ASP 81 3HB ASP 81 -1.848 4.558 5.640 635 H VAL 82 H VAL 82 -0.206 2.840 9.009 636 HA VAL 82 HA VAL 82 0.358 0.447 7.408 637 HB VAL 82 HB VAL 82 0.268 0.811 10.451 638 HG11 VAL 82 1HG1 VAL 82 -0.141 -1.534 9.826 639 HG12 VAL 82 2HG1 VAL 82 1.436 -1.359 10.593 640 HG13 VAL 82 3HG1 VAL 82 1.327 -1.545 8.843 641 HG21 VAL 82 3HG2 VAL 82 2.073 2.145 9.445 642 HG22 VAL 82 1HG2 VAL 82 2.688 0.717 8.608 643 HG23 VAL 82 2HG2 VAL 82 2.738 0.800 10.371 644 H LEU 83 H LEU 83 -1.227 -0.982 6.898 645 HA LEU 83 HA LEU 83 -3.740 -1.052 8.473 646 HB2 LEU 83 2HB LEU 83 -4.081 0.327 6.447 647 HB3 LEU 83 3HB LEU 83 -3.449 -0.965 5.440 648 HG LEU 83 HG LEU 83 -5.413 -2.395 6.131 649 HD11 LEU 83 1HD1 LEU 83 -5.995 -1.332 8.247 650 HD12 LEU 83 2HD1 LEU 83 -7.379 -1.362 7.159 651 HD13 LEU 83 3HD1 LEU 83 -6.485 0.141 7.403 652 HD21 LEU 83 3HD2 LEU 83 -5.388 -1.225 3.991 653 HD22 LEU 83 1HD2 LEU 83 -6.087 0.215 4.738 654 HD23 LEU 83 2HD2 LEU 83 -7.021 -1.281 4.646 655 H LYS 84 H LYS 84 -3.774 -3.075 9.320 656 HA LYS 84 HA LYS 84 -3.222 -5.419 7.574 657 HB2 LYS 84 2HB LYS 84 -3.114 -5.111 10.602 658 HB3 LYS 84 3HB LYS 84 -3.340 -6.693 9.871 659 HG2 LYS 84 2HG LYS 84 -1.051 -6.520 10.383 660 HG3 LYS 84 3HG LYS 84 -1.172 -6.336 8.632 661 HD2 LYS 84 2HD LYS 84 -0.796 -3.956 8.785 662 HD3 LYS 84 3HD LYS 84 -0.960 -3.982 10.544 663 HE2 LYS 84 2HE LYS 84 1.264 -5.334 8.970 664 HE3 LYS 84 3HE LYS 84 1.405 -3.811 9.847 665 HZ1 LYS 84 3HZ LYS 84 2.261 -5.708 11.096 666 HZ2 LYS 84 1HZ LYS 84 0.728 -6.415 11.095 667 HZ3 LYS 84 2HZ LYS 84 0.983 -4.950 11.900 668 H SER 85 H SER 85 -5.076 -6.106 6.684 669 HA SER 85 HA SER 85 -7.292 -6.910 8.366 670 HB2 SER 85 2HB SER 85 -7.924 -4.550 7.894 671 HB3 SER 85 3HB SER 85 -7.781 -4.847 6.167 672 HG SER 85 HG SER 85 -9.948 -4.990 7.323 673 H THR 86 H THR 86 -8.086 -8.772 7.585 674 HA THR 86 HA THR 86 -7.482 -9.629 4.839 675 HB THR 86 HB THR 86 -8.302 -11.881 5.691 676 HG1 THR 86 HG1 THR 86 -9.471 -11.653 7.463 677 HG21 THR 86 3HG2 THR 86 -6.307 -12.360 7.084 678 HG22 THR 86 1HG2 THR 86 -6.015 -10.628 7.266 679 HG23 THR 86 2HG2 THR 86 -5.881 -11.385 5.676 680 H ASP 87 H ASP 87 -9.931 -7.977 6.378 681 HA ASP 87 HA ASP 87 -12.192 -9.208 5.022 682 HB2 ASP 87 2HB ASP 87 -11.926 -6.755 6.805 683 HB3 ASP 87 3HB ASP 87 -13.430 -7.129 5.965 684 HA PRO 88 HA PRO 88 -11.206 -6.960 1.245 685 HB2 PRO 88 2HB PRO 88 -13.408 -7.689 -0.250 686 HB3 PRO 88 3HB PRO 88 -12.057 -8.792 0.089 687 HG2 PRO 88 2HG PRO 88 -14.710 -8.601 1.483 688 HG3 PRO 88 3HG PRO 88 -13.829 -10.047 0.940 689 HD2 PRO 88 2HD PRO 88 -13.777 -9.243 3.525 690 HD3 PRO 88 3HD PRO 88 -12.365 -10.008 2.758 691 H GLU 89 H GLU 89 -14.427 -6.686 2.693 692 HA GLU 89 HA GLU 89 -15.367 -4.405 1.386 693 HB2 GLU 89 2HB GLU 89 -16.931 -4.187 3.332 694 HB3 GLU 89 3HB GLU 89 -16.863 -5.819 2.679 695 HG2 GLU 89 2HG GLU 89 -15.313 -6.458 4.541 696 HG3 GLU 89 3HG GLU 89 -15.513 -4.843 5.218 697 H GLU 90 H GLU 90 -13.374 -4.734 4.330 698 HA GLU 90 HA GLU 90 -13.402 -1.941 4.930 699 HB2 GLU 90 2HB GLU 90 -13.040 -3.617 6.735 700 HB3 GLU 90 3HB GLU 90 -11.475 -4.033 6.023 701 HG2 GLU 90 2HG GLU 90 -10.716 -1.687 6.343 702 HG3 GLU 90 3HG GLU 90 -12.269 -1.279 7.056 703 H LEU 91 H LEU 91 -10.950 -4.150 3.488 704 HA LEU 91 HA LEU 91 -8.901 -2.281 3.134 705 HB2 LEU 91 2HB LEU 91 -9.620 -4.686 1.425 706 HB3 LEU 91 3HB LEU 91 -8.144 -3.762 1.204 707 HG LEU 91 HG LEU 91 -8.885 -5.392 3.667 708 HD11 LEU 91 1HD1 LEU 91 -7.017 -6.843 3.007 709 HD12 LEU 91 2HD1 LEU 91 -6.745 -5.865 1.561 710 HD13 LEU 91 3HD1 LEU 91 -8.246 -6.770 1.747 711 HD21 LEU 91 3HD2 LEU 91 -6.384 -3.751 3.142 712 HD22 LEU 91 1HD2 LEU 91 -6.621 -4.859 4.496 713 HD23 LEU 91 2HD2 LEU 91 -7.624 -3.419 4.351 714 H THR 92 H THR 92 -11.700 -2.946 1.063 715 HA THR 92 HA THR 92 -10.983 -1.322 -1.152 716 HB THR 92 HB THR 92 -13.749 -2.254 -0.249 717 HG1 THR 92 HG1 THR 92 -12.007 -3.834 -0.835 718 HG21 THR 92 3HG2 THR 92 -13.963 -0.386 -1.873 719 HG22 THR 92 1HG2 THR 92 -14.448 -1.917 -2.611 720 HG23 THR 92 2HG2 THR 92 -12.872 -1.218 -2.982 721 H GLN 93 H GLN 93 -13.110 -0.668 1.703 722 HA GLN 93 HA GLN 93 -13.692 2.016 0.909 723 HB2 GLN 93 2HB GLN 93 -14.681 2.347 3.097 724 HB3 GLN 93 3HB GLN 93 -15.151 0.771 2.480 725 HG2 GLN 93 2HG GLN 93 -13.533 -0.316 3.941 726 HG3 GLN 93 3HG GLN 93 -12.966 1.243 4.520 727 HE21 GLN 93 1HE2 GLN 93 -15.554 2.462 4.836 728 HE22 GLN 93 2HE2 GLN 93 -16.324 1.676 6.166 729 H ARG 94 H ARG 94 -11.013 0.602 2.754 730 HA ARG 94 HA ARG 94 -10.103 3.041 3.945 731 HB2 ARG 94 2HB ARG 94 -8.568 0.462 3.417 732 HB3 ARG 94 3HB ARG 94 -7.944 1.815 4.351 733 HG2 ARG 94 2HG ARG 94 -10.351 0.129 5.079 734 HG3 ARG 94 3HG ARG 94 -8.747 0.000 5.787 735 HD2 ARG 94 2HD ARG 94 -8.964 2.250 6.741 736 HD3 ARG 94 3HD ARG 94 -10.548 2.440 5.975 737 HE ARG 94 HE ARG 94 -10.063 0.248 7.895 738 HH11 ARG 94 1HH1 ARG 94 -11.832 3.201 7.121 739 HH12 ARG 94 2HH1 ARG 94 -12.983 2.971 8.392 740 HH21 ARG 94 1HH2 ARG 94 -11.650 -0.079 9.479 741 HH22 ARG 94 2HH2 ARG 94 -12.879 1.118 9.725 742 H VAL 95 H VAL 95 -9.516 1.474 0.824 743 HA VAL 95 HA VAL 95 -7.336 3.036 -0.047 744 HB VAL 95 HB VAL 95 -9.573 1.798 -1.730 745 HG11 VAL 95 1HG1 VAL 95 -8.494 3.599 -3.021 746 HG12 VAL 95 2HG1 VAL 95 -8.052 2.027 -3.685 747 HG13 VAL 95 3HG1 VAL 95 -6.900 2.917 -2.687 748 HG21 VAL 95 3HG2 VAL 95 -7.957 -0.009 -2.200 749 HG22 VAL 95 1HG2 VAL 95 -8.259 0.131 -0.470 750 HG23 VAL 95 2HG2 VAL 95 -6.764 0.768 -1.155 751 H ARG 96 H ARG 96 -10.882 3.550 -0.529 752 HA ARG 96 HA ARG 96 -10.535 6.049 -1.887 753 HB2 ARG 96 2HB ARG 96 -12.976 6.284 -1.783 754 HB3 ARG 96 3HB ARG 96 -12.502 4.679 -2.322 755 HG2 ARG 96 2HG ARG 96 -12.988 3.768 -0.088 756 HG3 ARG 96 3HG ARG 96 -13.458 5.376 0.473 757 HD2 ARG 96 2HD ARG 96 -15.407 3.951 -0.091 758 HD3 ARG 96 3HD ARG 96 -15.335 5.408 -1.088 759 HE ARG 96 HE ARG 96 -14.122 3.740 -2.715 760 HH11 ARG 96 1HH1 ARG 96 -17.022 3.073 -0.819 761 HH12 ARG 96 2HH1 ARG 96 -17.639 1.927 -1.967 762 HH21 ARG 96 1HH2 ARG 96 -14.941 2.267 -4.189 763 HH22 ARG 96 2HH2 ARG 96 -16.452 1.472 -3.887 764 H GLU 97 H GLU 97 -11.177 5.235 1.509 765 HA GLU 97 HA GLU 97 -11.669 7.889 2.444 766 HB2 GLU 97 2HB GLU 97 -10.681 5.403 3.902 767 HB3 GLU 97 3HB GLU 97 -11.089 6.906 4.718 768 HG2 GLU 97 2HG GLU 97 -13.016 5.252 3.066 769 HG3 GLU 97 3HG GLU 97 -12.902 5.209 4.821 770 H PHE 98 H PHE 98 -8.769 5.940 1.975 771 HA PHE 98 HA PHE 98 -6.891 7.796 3.014 772 HB2 PHE 98 2HB PHE 98 -6.195 5.478 2.629 773 HB3 PHE 98 3HB PHE 98 -6.521 5.623 0.902 774 HD1 PHE 98 HD1 PHE 98 -4.364 6.959 3.649 775 HD2 PHE 98 HD2 PHE 98 -4.811 6.445 -0.580 776 HE1 PHE 98 HE1 PHE 98 -2.099 7.824 3.289 777 HE2 PHE 98 HE2 PHE 98 -2.537 7.310 -0.922 778 HZ PHE 98 HZ PHE 98 -1.193 8.006 1.010 779 H LEU 99 H LEU 99 -8.219 7.240 -0.264 780 HA LEU 99 HA LEU 99 -6.677 9.167 -1.635 781 HB2 LEU 99 2HB LEU 99 -9.451 8.089 -2.306 782 HB3 LEU 99 3HB LEU 99 -8.456 9.024 -3.411 783 HG LEU 99 HG LEU 99 -7.774 6.264 -2.328 784 HD11 LEU 99 1HD1 LEU 99 -9.623 6.159 -3.907 785 HD12 LEU 99 2HD1 LEU 99 -8.175 5.435 -4.599 786 HD13 LEU 99 3HD1 LEU 99 -8.683 7.047 -5.109 787 HD21 LEU 99 3HD2 LEU 99 -5.732 7.533 -2.700 788 HD22 LEU 99 1HD2 LEU 99 -6.247 7.943 -4.338 789 HD23 LEU 99 2HD2 LEU 99 -5.890 6.267 -3.914 790 H LYS 100 H LYS 100 -9.507 9.457 0.395 791 HA LYS 100 HA LYS 100 -10.180 12.144 -0.321 792 HB2 LYS 100 2HB LYS 100 -11.851 10.731 0.752 793 HB3 LYS 100 3HB LYS 100 -10.829 10.514 2.166 794 HG2 LYS 100 2HG LYS 100 -12.675 12.103 2.592 795 HG3 LYS 100 3HG LYS 100 -11.093 12.849 2.788 796 HD2 LYS 100 2HD LYS 100 -12.489 14.448 1.687 797 HD3 LYS 100 3HD LYS 100 -11.360 13.852 0.478 798 HE2 LYS 100 2HE LYS 100 -14.179 12.745 0.726 799 HE3 LYS 100 3HE LYS 100 -13.812 14.176 -0.232 800 HZ1 LYS 100 3HZ LYS 100 -13.841 12.235 -1.623 801 HZ2 LYS 100 1HZ LYS 100 -12.688 11.463 -0.660 802 HZ3 LYS 100 2HZ LYS 100 -12.267 12.838 -1.544 803 H THR 101 H THR 101 -8.403 10.806 2.591 804 HA THR 101 HA THR 101 -7.730 13.402 3.598 805 HB THR 101 HB THR 101 -7.720 11.487 5.131 806 HG1 THR 101 HG1 THR 101 -6.342 12.665 6.202 807 HG21 THR 101 3HG2 THR 101 -5.266 10.482 3.642 808 HG22 THR 101 1HG2 THR 101 -6.860 9.725 3.627 809 HG23 THR 101 2HG2 THR 101 -5.930 9.792 5.124 810 H ALA 102 H ALA 102 -6.138 11.286 1.350 811 HA ALA 102 HA ALA 102 -3.597 12.677 1.270 812 HB1 ALA 102 3HB ALA 102 -4.723 10.448 -0.469 813 HB2 ALA 102 1HB ALA 102 -3.706 10.246 0.960 814 HB3 ALA 102 2HB ALA 102 -3.057 11.022 -0.478 815 H GLY 103 H GLY 103 -6.619 12.640 -0.500 816 HA2 GLY 103 2HA GLY 103 -5.664 14.437 -2.624 817 HA3 GLY 103 3HA GLY 103 -7.237 13.661 -2.519 818 H SER 104 H SER 104 -6.400 14.994 0.456 819 HA SER 104 HA SER 104 -7.811 17.550 -0.083 820 HB2 SER 104 2HB SER 104 -7.950 15.760 2.393 821 HB3 SER 104 3HB SER 104 -8.632 17.387 2.305 822 HG SER 104 HG SER 104 -9.324 15.298 0.520 823 H LEU 105 H LEU 105 -7.386 19.158 1.721 824 HA LEU 105 HA LEU 105 -4.655 19.831 2.014 825 HB2 LEU 105 2HB LEU 105 -6.715 21.355 2.012 826 HB3 LEU 105 3HB LEU 105 -7.034 20.841 3.651 827 HG LEU 105 HG LEU 105 -5.964 23.145 3.336 828 HD11 LEU 105 1HD1 LEU 105 -4.457 21.273 5.180 829 HD12 LEU 105 2HD1 LEU 105 -5.977 22.094 5.536 830 HD13 LEU 105 3HD1 LEU 105 -4.511 23.037 5.286 831 HD21 LEU 105 3HD2 LEU 105 -3.470 21.542 2.694 832 HD22 LEU 105 1HD2 LEU 105 -3.552 23.287 2.952 833 HD23 LEU 105 2HD2 LEU 105 -4.374 22.564 1.573 834 H GLU 106 H GLU 106 -6.752 17.758 3.769 835 HA GLU 106 HA GLU 106 -5.825 17.728 6.365 836 HB2 GLU 106 2HB GLU 106 -6.930 15.408 4.725 837 HB3 GLU 106 3HB GLU 106 -6.793 15.425 6.480 838 HG2 GLU 106 2HG GLU 106 -8.520 17.266 4.806 839 HG3 GLU 106 3HG GLU 106 -9.086 15.906 5.774 840 H HIS 107 H HIS 107 -3.558 17.966 6.270 841 HA HIS 107 HA HIS 107 -1.909 15.627 5.597 842 HB2 HIS 107 2HB HIS 107 -0.012 17.107 6.356 843 HB3 HIS 107 3HB HIS 107 -0.958 17.804 5.046 844 HD1 HIS 107 HD1 HIS 107 -2.453 19.872 5.633 845 HD2 HIS 107 HD2 HIS 107 -0.067 18.555 8.765 846 HE1 HIS 107 HE1 HIS 107 -2.521 21.695 7.345 847 HE2 HIS 107 HE2 HIS 107 -0.909 20.964 9.122 848 H HIS 108 H HIS 108 -3.278 17.336 8.296 849 HA HIS 108 HA HIS 108 -2.948 15.064 10.079 850 HB2 HIS 108 2HB HIS 108 -0.933 16.445 10.560 851 HB3 HIS 108 3HB HIS 108 -1.949 17.855 10.820 852 HD1 HIS 108 HD1 HIS 108 -0.966 14.588 12.397 853 HD2 HIS 108 HD2 HIS 108 -3.123 18.006 13.370 854 HE1 HIS 108 HE1 HIS 108 -1.319 14.479 14.875 855 HE2 HIS 108 HE2 HIS 108 -2.681 16.514 15.432 856 H HIS 109 H HIS 109 -5.098 14.750 10.212 857 HA HIS 109 HA HIS 109 -7.126 16.618 9.907 858 HB2 HIS 109 2HB HIS 109 -8.658 14.866 10.912 859 HB3 HIS 109 3HB HIS 109 -7.638 14.299 9.597 860 HD1 HIS 109 HD1 HIS 109 -8.206 13.865 13.278 861 HD2 HIS 109 HD2 HIS 109 -5.749 12.354 10.296 862 HE1 HIS 109 HE1 HIS 109 -7.123 11.828 14.261 863 HE2 HIS 109 HE2 HIS 109 -5.525 11.044 12.498 864 H HIS 110 H HIS 110 -8.127 18.018 11.138 865 HA HIS 110 HA HIS 110 -8.231 19.703 12.558 866 HB2 HIS 110 2HB HIS 110 -9.273 19.300 14.675 867 HB3 HIS 110 3HB HIS 110 -9.886 18.127 13.525 868 HD1 HIS 110 HD1 HIS 110 -8.042 18.459 16.740 869 HD2 HIS 110 HD2 HIS 110 -9.282 15.407 14.209 870 HE1 HIS 110 HE1 HIS 110 -7.870 16.354 18.089 871 HE2 HIS 110 HE2 HIS 110 -8.792 14.561 16.595 872 H HIS 111 H HIS 111 -6.337 20.776 12.510 873 HA HIS 111 HA HIS 111 -3.950 20.132 13.873 874 HB2 HIS 111 2HB HIS 111 -3.930 21.827 12.117 875 HB3 HIS 111 3HB HIS 111 -5.036 22.860 13.021 876 HD1 HIS 111 HD1 HIS 111 -3.938 24.607 14.448 877 HD2 HIS 111 HD2 HIS 111 -1.312 21.530 13.512 878 HE1 HIS 111 HE1 HIS 111 -1.724 25.302 15.383 879 HE2 HIS 111 HE2 HIS 111 -0.231 23.327 15.003 880 H HIS 112 H HIS 112 -6.664 22.247 14.856 881 HA HIS 112 HA HIS 112 -5.858 22.194 17.654 882 HB2 HIS 112 2HB HIS 112 -7.015 24.212 16.806 883 HB3 HIS 112 3HB HIS 112 -8.415 23.244 16.349 884 HD1 HIS 112 HD1 HIS 112 -6.449 24.063 19.505 885 HD2 HIS 112 HD2 HIS 112 -10.328 23.154 18.326 886 HE1 HIS 112 HE1 HIS 112 -7.840 24.232 21.583 887 HE2 HIS 112 HE2 HIS 112 -10.196 23.872 20.802 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.527 17.513 -1.465 2 H2 MET 1 2H MET 1 3.045 17.197 -0.798 3 H3 MET 1 3H MET 1 2.030 18.340 -0.080 4 HA MET 1 HA MET 1 2.085 16.286 1.162 5 HB2 MET 1 2HB MET 1 -0.578 16.883 -0.198 6 HB3 MET 1 3HB MET 1 -0.405 15.878 1.238 7 HG2 MET 1 2HG MET 1 0.530 17.830 2.455 8 HG3 MET 1 3HG MET 1 0.259 18.821 1.022 9 HE1 MET 1 3HE MET 1 -3.126 16.925 3.540 10 HE2 MET 1 1HE MET 1 -1.414 16.769 3.929 11 HE3 MET 1 2HE MET 1 -2.075 15.947 2.513 12 H GLY 2 H GLY 2 2.956 14.378 0.736 13 HA2 GLY 2 2HA GLY 2 1.654 12.546 -1.194 14 HA3 GLY 2 3HA GLY 2 3.406 12.730 -1.152 15 H LYS 3 H LYS 3 0.770 11.072 0.129 16 HA LYS 3 HA LYS 3 2.508 9.702 2.074 17 HB2 LYS 3 2HB LYS 3 0.671 9.504 3.674 18 HB3 LYS 3 3HB LYS 3 1.098 11.186 3.399 19 HG2 LYS 3 2HG LYS 3 -0.896 11.485 1.991 20 HG3 LYS 3 3HG LYS 3 -1.313 9.778 2.196 21 HD2 LYS 3 2HD LYS 3 -1.185 11.874 4.407 22 HD3 LYS 3 3HD LYS 3 -2.656 11.184 3.719 23 HE2 LYS 3 2HE LYS 3 -2.083 8.974 4.631 24 HE3 LYS 3 3HE LYS 3 -0.539 9.585 5.221 25 HZ1 LYS 3 3HZ LYS 3 -2.231 9.427 6.961 26 HZ2 LYS 3 1HZ LYS 3 -3.189 10.551 6.140 27 HZ3 LYS 3 2HZ LYS 3 -1.680 11.008 6.749 28 H VAL 4 H VAL 4 1.476 7.561 2.755 29 HA VAL 4 HA VAL 4 0.200 6.259 0.435 30 HB VAL 4 HB VAL 4 2.622 6.092 0.096 31 HG11 VAL 4 1HG1 VAL 4 4.097 4.877 1.601 32 HG12 VAL 4 2HG1 VAL 4 2.765 4.637 2.734 33 HG13 VAL 4 3HG1 VAL 4 3.376 6.268 2.421 34 HG21 VAL 4 3HG2 VAL 4 2.820 3.660 -0.197 35 HG22 VAL 4 1HG2 VAL 4 1.219 4.225 -0.677 36 HG23 VAL 4 2HG2 VAL 4 1.437 3.410 0.872 37 H LEU 5 H LEU 5 -0.915 4.378 0.860 38 HA LEU 5 HA LEU 5 -1.464 3.677 3.676 39 HB2 LEU 5 2HB LEU 5 -3.384 4.479 2.268 40 HB3 LEU 5 3HB LEU 5 -3.115 3.142 1.168 41 HG LEU 5 HG LEU 5 -3.657 1.542 3.046 42 HD11 LEU 5 1HD1 LEU 5 -4.753 2.381 5.074 43 HD12 LEU 5 2HD1 LEU 5 -4.417 4.042 4.582 44 HD13 LEU 5 3HD1 LEU 5 -3.086 2.944 4.954 45 HD21 LEU 5 3HD2 LEU 5 -5.379 2.154 1.407 46 HD22 LEU 5 1HD2 LEU 5 -5.857 3.534 2.399 47 HD23 LEU 5 2HD2 LEU 5 -6.086 1.888 2.999 48 H LEU 6 H LEU 6 0.141 2.174 4.058 49 HA LEU 6 HA LEU 6 0.814 -0.010 2.341 50 HB2 LEU 6 2HB LEU 6 2.374 0.929 4.045 51 HB3 LEU 6 3HB LEU 6 1.307 0.374 5.324 52 HG LEU 6 HG LEU 6 1.735 -2.011 4.553 53 HD11 LEU 6 1HD1 LEU 6 3.664 -2.467 3.106 54 HD12 LEU 6 2HD1 LEU 6 3.855 -0.738 2.804 55 HD13 LEU 6 3HD1 LEU 6 2.403 -1.578 2.253 56 HD21 LEU 6 3HD2 LEU 6 2.914 -1.101 6.493 57 HD22 LEU 6 1HD2 LEU 6 4.181 -0.452 5.449 58 HD23 LEU 6 2HD2 LEU 6 3.957 -2.198 5.592 59 H VAL 7 H VAL 7 -1.140 -1.044 1.845 60 HA VAL 7 HA VAL 7 -2.885 -2.188 3.844 61 HB VAL 7 HB VAL 7 -2.770 -2.656 0.826 62 HG11 VAL 7 1HG1 VAL 7 -4.936 -3.449 2.814 63 HG12 VAL 7 2HG1 VAL 7 -3.873 -4.550 1.934 64 HG13 VAL 7 3HG1 VAL 7 -5.065 -3.589 1.058 65 HG21 VAL 7 3HG2 VAL 7 -4.713 -1.123 0.707 66 HG22 VAL 7 1HG2 VAL 7 -3.286 -0.316 1.366 67 HG23 VAL 7 2HG2 VAL 7 -4.586 -0.829 2.443 68 H ILE 8 H ILE 8 -1.851 -3.681 5.071 69 HA ILE 8 HA ILE 8 -0.351 -5.884 3.858 70 HB ILE 8 HB ILE 8 -0.846 -5.378 6.828 71 HG12 ILE 8 2HG1 ILE 8 1.562 -4.540 5.138 72 HG13 ILE 8 3HG1 ILE 8 0.374 -3.448 5.840 73 HG21 ILE 8 1HG2 ILE 8 -0.218 -7.711 6.283 74 HG22 ILE 8 2HG2 ILE 8 1.077 -6.906 7.168 75 HG23 ILE 8 3HG2 ILE 8 1.215 -7.135 5.424 76 HD11 ILE 8 3HD1 ILE 8 1.098 -4.145 8.087 77 HD12 ILE 8 1HD1 ILE 8 2.397 -3.428 7.132 78 HD13 ILE 8 2HD1 ILE 8 2.330 -5.176 7.350 79 H SER 9 H SER 9 -1.458 -7.585 3.224 80 HA SER 9 HA SER 9 -3.390 -8.877 5.031 81 HB2 SER 9 2HB SER 9 -3.809 -8.887 2.007 82 HB3 SER 9 3HB SER 9 -4.944 -9.379 3.262 83 HG SER 9 HG SER 9 -4.596 -6.948 3.840 84 H THR 10 H THR 10 -3.058 -11.117 5.111 85 HA THR 10 HA THR 10 -0.770 -12.269 3.734 86 HB THR 10 HB THR 10 -2.814 -13.674 5.520 87 HG1 THR 10 HG1 THR 10 -1.431 -11.794 6.367 88 HG21 THR 10 3HG2 THR 10 -1.425 -15.234 4.172 89 HG22 THR 10 1HG2 THR 10 -1.018 -15.334 5.888 90 HG23 THR 10 2HG2 THR 10 0.037 -14.454 4.779 91 H ASP 11 H ASP 11 -4.284 -12.341 3.553 92 HA ASP 11 HA ASP 11 -4.591 -14.438 1.646 93 HB2 ASP 11 2HB ASP 11 -6.462 -12.146 2.393 94 HB3 ASP 11 3HB ASP 11 -6.913 -13.504 1.363 95 H THR 12 H THR 12 -3.212 -14.070 -0.040 96 HA THR 12 HA THR 12 -2.903 -11.709 -1.536 97 HB THR 12 HB THR 12 -1.912 -13.298 -3.285 98 HG1 THR 12 HG1 THR 12 -1.609 -15.496 -2.154 99 HG21 THR 12 3HG2 THR 12 -0.480 -12.295 -1.533 100 HG22 THR 12 1HG2 THR 12 0.023 -13.957 -1.870 101 HG23 THR 12 2HG2 THR 12 -0.912 -13.595 -0.419 102 H ASN 13 H ASN 13 -5.299 -14.275 -1.713 103 HA ASN 13 HA ASN 13 -6.471 -13.767 -4.220 104 HB2 ASN 13 2HB ASN 13 -7.768 -14.760 -1.637 105 HB3 ASN 13 3HB ASN 13 -8.575 -14.764 -3.204 106 HD21 ASN 13 1HD2 ASN 13 -7.967 -17.006 -1.473 107 HD22 ASN 13 2HD2 ASN 13 -6.996 -18.089 -2.402 108 H ILE 14 H ILE 14 -7.231 -12.421 -0.999 109 HA ILE 14 HA ILE 14 -9.342 -10.715 -1.769 110 HB ILE 14 HB ILE 14 -7.462 -10.555 0.625 111 HG12 ILE 14 2HG1 ILE 14 -8.819 -12.592 0.635 112 HG13 ILE 14 3HG1 ILE 14 -9.419 -11.510 1.883 113 HG21 ILE 14 1HG2 ILE 14 -9.103 -9.026 1.692 114 HG22 ILE 14 2HG2 ILE 14 -10.019 -8.968 0.186 115 HG23 ILE 14 3HG2 ILE 14 -8.386 -8.310 0.245 116 HD11 ILE 14 3HD1 ILE 14 -11.286 -10.870 0.405 117 HD12 ILE 14 1HD1 ILE 14 -11.241 -12.601 0.737 118 HD13 ILE 14 2HD1 ILE 14 -10.684 -11.992 -0.819 119 H ILE 15 H ILE 15 -5.858 -10.176 -1.439 120 HA ILE 15 HA ILE 15 -5.753 -7.422 -1.946 121 HB ILE 15 HB ILE 15 -3.667 -9.542 -2.636 122 HG12 ILE 15 2HG1 ILE 15 -3.879 -7.808 -0.128 123 HG13 ILE 15 3HG1 ILE 15 -4.369 -9.495 -0.213 124 HG21 ILE 15 1HG2 ILE 15 -3.191 -7.466 -3.827 125 HG22 ILE 15 2HG2 ILE 15 -2.031 -7.661 -2.513 126 HG23 ILE 15 3HG2 ILE 15 -3.378 -6.533 -2.341 127 HD11 ILE 15 3HD1 ILE 15 -2.060 -10.136 -0.707 128 HD12 ILE 15 1HD1 ILE 15 -2.205 -9.272 0.823 129 HD13 ILE 15 2HD1 ILE 15 -1.572 -8.442 -0.598 130 H SER 16 H SER 16 -5.546 -10.203 -4.195 131 HA SER 16 HA SER 16 -5.091 -8.869 -6.597 132 HB2 SER 16 2HB SER 16 -6.626 -11.458 -6.108 133 HB3 SER 16 3HB SER 16 -5.974 -10.937 -7.663 134 HG SER 16 HG SER 16 -4.582 -12.386 -6.591 135 H SER 17 H SER 17 -8.129 -9.675 -4.964 136 HA SER 17 HA SER 17 -9.923 -8.831 -6.987 137 HB2 SER 17 2HB SER 17 -10.585 -10.378 -5.176 138 HB3 SER 17 3HB SER 17 -10.373 -9.098 -3.984 139 HG SER 17 HG SER 17 -12.570 -9.637 -5.105 140 H VAL 18 H VAL 18 -8.946 -7.252 -3.915 141 HA VAL 18 HA VAL 18 -10.478 -4.902 -4.268 142 HB VAL 18 HB VAL 18 -8.046 -5.332 -2.467 143 HG11 VAL 18 1HG1 VAL 18 -8.920 -3.460 -1.101 144 HG12 VAL 18 2HG1 VAL 18 -10.210 -3.195 -2.273 145 HG13 VAL 18 3HG1 VAL 18 -8.529 -2.923 -2.738 146 HG21 VAL 18 3HG2 VAL 18 -9.848 -6.968 -2.044 147 HG22 VAL 18 1HG2 VAL 18 -11.003 -5.653 -1.834 148 HG23 VAL 18 2HG2 VAL 18 -9.672 -5.851 -0.689 149 H GLN 19 H GLN 19 -7.178 -5.731 -5.150 150 HA GLN 19 HA GLN 19 -6.096 -3.231 -5.815 151 HB2 GLN 19 2HB GLN 19 -4.779 -5.328 -5.706 152 HB3 GLN 19 3HB GLN 19 -5.638 -5.954 -7.105 153 HG2 GLN 19 2HG GLN 19 -4.656 -3.960 -8.403 154 HG3 GLN 19 3HG GLN 19 -3.598 -3.715 -7.010 155 HE21 GLN 19 1HE2 GLN 19 -2.097 -5.414 -6.474 156 HE22 GLN 19 2HE2 GLN 19 -1.599 -6.561 -7.667 157 H GLU 20 H GLU 20 -7.830 -5.615 -7.830 158 HA GLU 20 HA GLU 20 -7.865 -3.998 -10.196 159 HB2 GLU 20 2HB GLU 20 -9.357 -6.549 -9.488 160 HB3 GLU 20 3HB GLU 20 -9.395 -5.792 -11.083 161 HG2 GLU 20 2HG GLU 20 -6.911 -6.047 -11.222 162 HG3 GLU 20 3HG GLU 20 -6.944 -6.906 -9.679 163 H ARG 21 H ARG 21 -10.110 -4.568 -7.551 164 HA ARG 21 HA ARG 21 -12.352 -3.189 -8.672 165 HB2 ARG 21 2HB ARG 21 -11.665 -3.927 -5.794 166 HB3 ARG 21 3HB ARG 21 -13.163 -3.114 -6.242 167 HG2 ARG 21 2HG ARG 21 -13.760 -5.051 -7.681 168 HG3 ARG 21 3HG ARG 21 -12.286 -5.872 -7.167 169 HD2 ARG 21 2HD ARG 21 -13.089 -5.895 -4.840 170 HD3 ARG 21 3HD ARG 21 -14.548 -5.014 -5.318 171 HE ARG 21 HE ARG 21 -14.557 -7.246 -6.902 172 HH11 ARG 21 1HH1 ARG 21 -14.478 -6.769 -3.427 173 HH12 ARG 21 2HH1 ARG 21 -15.298 -8.253 -3.081 174 HH21 ARG 21 1HH2 ARG 21 -15.588 -9.205 -6.436 175 HH22 ARG 21 2HH2 ARG 21 -15.932 -9.642 -4.791 176 H ALA 22 H ALA 22 -9.447 -2.217 -7.035 177 HA ALA 22 HA ALA 22 -10.345 0.466 -6.410 178 HB1 ALA 22 3HB ALA 22 -8.057 0.828 -5.614 179 HB2 ALA 22 1HB ALA 22 -7.551 -0.722 -6.300 180 HB3 ALA 22 2HB ALA 22 -8.705 -0.679 -4.965 181 H LYS 23 H LYS 23 -8.417 -1.118 -8.952 182 HA LYS 23 HA LYS 23 -7.770 1.355 -10.310 183 HB2 LYS 23 2HB LYS 23 -7.670 -1.519 -11.301 184 HB3 LYS 23 3HB LYS 23 -6.990 -0.131 -12.154 185 HG2 LYS 23 2HG LYS 23 -5.379 0.239 -10.343 186 HG3 LYS 23 3HG LYS 23 -6.092 -1.075 -9.402 187 HD2 LYS 23 2HD LYS 23 -4.668 -1.350 -12.081 188 HD3 LYS 23 3HD LYS 23 -4.022 -1.824 -10.509 189 HE2 LYS 23 2HE LYS 23 -5.754 -3.550 -10.287 190 HE3 LYS 23 3HE LYS 23 -6.497 -3.035 -11.801 191 HZ1 LYS 23 3HZ LYS 23 -3.858 -4.320 -11.437 192 HZ2 LYS 23 1HZ LYS 23 -4.352 -3.614 -12.889 193 HZ3 LYS 23 2HZ LYS 23 -5.203 -4.928 -12.259 194 H HIS 24 H HIS 24 -10.429 -0.862 -10.283 195 HA HIS 24 HA HIS 24 -11.670 -0.044 -12.755 196 HB2 HIS 24 2HB HIS 24 -11.986 -2.313 -11.719 197 HB3 HIS 24 3HB HIS 24 -12.846 -1.565 -10.381 198 HD1 HIS 24 HD1 HIS 24 -13.207 -2.512 -13.987 199 HD2 HIS 24 HD2 HIS 24 -15.518 -0.876 -10.944 200 HE1 HIS 24 HE1 HIS 24 -15.575 -2.599 -14.810 201 HE2 HIS 24 HE2 HIS 24 -16.957 -1.746 -12.893 202 H ASN 25 H ASN 25 -12.323 0.473 -9.282 203 HA ASN 25 HA ASN 25 -14.530 2.271 -9.703 204 HB2 ASN 25 2HB ASN 25 -14.373 0.786 -7.703 205 HB3 ASN 25 3HB ASN 25 -12.971 1.694 -7.143 206 HD21 ASN 25 1HD2 ASN 25 -13.958 2.336 -5.234 207 HD22 ASN 25 2HD2 ASN 25 -15.258 3.477 -5.172 208 H TYR 26 H TYR 26 -11.079 2.650 -9.047 209 HA TYR 26 HA TYR 26 -11.326 5.607 -9.329 210 HB2 TYR 26 2HB TYR 26 -8.955 4.361 -7.904 211 HB3 TYR 26 3HB TYR 26 -9.625 5.970 -7.733 212 HD1 TYR 26 HD1 TYR 26 -11.828 6.241 -6.376 213 HD2 TYR 26 HD2 TYR 26 -9.558 2.633 -6.403 214 HE1 TYR 26 HE1 TYR 26 -12.976 5.467 -4.336 215 HE2 TYR 26 HE2 TYR 26 -10.700 1.868 -4.396 216 HH TYR 26 HH TYR 26 -11.936 2.746 -2.528 217 HA PRO 27 HA PRO 27 -9.256 3.520 -12.948 218 HB2 PRO 27 2HB PRO 27 -10.041 5.295 -14.910 219 HB3 PRO 27 3HB PRO 27 -11.104 4.024 -14.268 220 HG2 PRO 27 2HG PRO 27 -11.002 6.936 -13.530 221 HG3 PRO 27 3HG PRO 27 -12.418 5.909 -13.857 222 HD2 PRO 27 2HD PRO 27 -11.630 6.483 -11.325 223 HD3 PRO 27 3HD PRO 27 -12.358 4.915 -11.744 224 H GLY 28 H GLY 28 -8.901 6.909 -12.033 225 HA2 GLY 28 2HA GLY 28 -6.297 7.115 -13.464 226 HA3 GLY 28 3HA GLY 28 -7.383 8.461 -13.145 227 H ARG 29 H ARG 29 -6.561 5.911 -10.838 228 HA ARG 29 HA ARG 29 -5.103 7.899 -9.184 229 HB2 ARG 29 2HB ARG 29 -6.748 5.486 -8.326 230 HB3 ARG 29 3HB ARG 29 -5.704 6.385 -7.227 231 HG2 ARG 29 2HG ARG 29 -8.077 7.531 -8.731 232 HG3 ARG 29 3HG ARG 29 -8.065 7.063 -7.029 233 HD2 ARG 29 2HD ARG 29 -6.351 8.785 -6.569 234 HD3 ARG 29 3HD ARG 29 -6.365 9.254 -8.276 235 HE ARG 29 HE ARG 29 -8.982 9.424 -7.412 236 HH11 ARG 29 1HH1 ARG 29 -5.951 11.014 -6.559 237 HH12 ARG 29 2HH1 ARG 29 -6.741 12.477 -6.062 238 HH21 ARG 29 1HH2 ARG 29 -9.976 11.339 -6.758 239 HH22 ARG 29 2HH2 ARG 29 -9.015 12.658 -6.175 240 H GLU 30 H GLU 30 -3.093 7.494 -8.578 241 HA GLU 30 HA GLU 30 -1.598 5.285 -9.631 242 HB2 GLU 30 2HB GLU 30 -0.806 7.471 -7.658 243 HB3 GLU 30 3HB GLU 30 0.314 6.352 -8.428 244 HG2 GLU 30 2HG GLU 30 -1.393 8.404 -9.873 245 HG3 GLU 30 3HG GLU 30 0.316 8.593 -9.481 246 H ILE 31 H ILE 31 -1.839 3.334 -8.767 247 HA ILE 31 HA ILE 31 -1.920 2.937 -5.824 248 HB ILE 31 HB ILE 31 -3.428 1.379 -7.982 249 HG12 ILE 31 2HG1 ILE 31 -4.514 3.062 -5.674 250 HG13 ILE 31 3HG1 ILE 31 -4.448 3.586 -7.354 251 HG21 ILE 31 1HG2 ILE 31 -4.370 0.001 -6.143 252 HG22 ILE 31 2HG2 ILE 31 -3.317 0.827 -4.993 253 HG23 ILE 31 3HG2 ILE 31 -2.616 -0.177 -6.262 254 HD11 ILE 31 3HD1 ILE 31 -6.668 2.880 -6.738 255 HD12 ILE 31 1HD1 ILE 31 -6.067 1.284 -6.282 256 HD13 ILE 31 2HD1 ILE 31 -5.998 1.806 -7.967 257 H ARG 32 H ARG 32 -0.516 1.387 -5.058 258 HA ARG 32 HA ARG 32 1.299 0.076 -7.008 259 HB2 ARG 32 2HB ARG 32 1.900 1.143 -4.215 260 HB3 ARG 32 3HB ARG 32 3.032 0.199 -5.179 261 HG2 ARG 32 2HG ARG 32 1.935 2.938 -5.873 262 HG3 ARG 32 3HG ARG 32 3.567 2.569 -5.310 263 HD2 ARG 32 2HD ARG 32 3.874 1.160 -7.382 264 HD3 ARG 32 3HD ARG 32 2.305 1.747 -7.946 265 HE ARG 32 HE ARG 32 4.057 3.899 -7.283 266 HH11 ARG 32 1HH1 ARG 32 3.390 1.560 -9.834 267 HH12 ARG 32 2HH1 ARG 32 4.088 2.552 -11.075 268 HH21 ARG 32 1HH2 ARG 32 5.017 5.127 -8.927 269 HH22 ARG 32 2HH2 ARG 32 5.002 4.555 -10.565 270 H THR 33 H THR 33 2.335 -1.857 -6.237 271 HA THR 33 HA THR 33 1.134 -3.397 -4.077 272 HB THR 33 HB THR 33 1.155 -4.405 -6.969 273 HG1 THR 33 HG1 THR 33 -0.787 -3.227 -5.411 274 HG21 THR 33 3HG2 THR 33 0.088 -6.451 -6.106 275 HG22 THR 33 1HG2 THR 33 0.224 -5.843 -4.458 276 HG23 THR 33 2HG2 THR 33 1.681 -6.231 -5.377 277 H ALA 34 H ALA 34 2.764 -4.464 -3.063 278 HA ALA 34 HA ALA 34 5.401 -4.725 -4.401 279 HB1 ALA 34 3HB ALA 34 6.426 -4.340 -2.195 280 HB2 ALA 34 1HB ALA 34 4.825 -4.142 -1.473 281 HB3 ALA 34 2HB ALA 34 5.407 -2.979 -2.663 282 H THR 35 H THR 35 6.291 -6.715 -4.401 283 HA THR 35 HA THR 35 5.071 -8.932 -2.921 284 HB THR 35 HB THR 35 7.502 -8.983 -4.780 285 HG1 THR 35 HG1 THR 35 5.597 -8.272 -5.852 286 HG21 THR 35 3HG2 THR 35 7.041 -11.398 -4.975 287 HG22 THR 35 1HG2 THR 35 5.670 -11.245 -3.874 288 HG23 THR 35 2HG2 THR 35 7.312 -10.972 -3.283 289 H SER 36 H SER 36 8.163 -7.194 -3.181 290 HA SER 36 HA SER 36 8.962 -8.051 -0.488 291 HB2 SER 36 2HB SER 36 9.913 -9.715 -2.117 292 HB3 SER 36 3HB SER 36 10.752 -8.403 -2.944 293 HG SER 36 HG SER 36 11.102 -9.053 -0.190 294 H SER 37 H SER 37 11.229 -7.017 -0.081 295 HA SER 37 HA SER 37 10.927 -4.283 0.251 296 HB2 SER 37 2HB SER 37 13.427 -4.453 0.933 297 HB3 SER 37 3HB SER 37 12.265 -5.452 1.809 298 HG SER 37 HG SER 37 12.955 -7.227 0.777 299 H GLN 38 H GLN 38 12.350 -5.987 -2.453 300 HA GLN 38 HA GLN 38 13.857 -3.937 -3.658 301 HB2 GLN 38 2HB GLN 38 13.916 -6.298 -4.400 302 HB3 GLN 38 3HB GLN 38 12.245 -6.195 -4.935 303 HG2 GLN 38 2HG GLN 38 13.703 -6.084 -6.863 304 HG3 GLN 38 3HG GLN 38 12.925 -4.518 -6.646 305 HE21 GLN 38 1HE2 GLN 38 15.935 -6.275 -6.443 306 HE22 GLN 38 2HE2 GLN 38 16.964 -4.893 -6.351 307 H ASP 39 H ASP 39 10.475 -4.935 -4.249 308 HA ASP 39 HA ASP 39 9.620 -2.886 -5.951 309 HB2 ASP 39 2HB ASP 39 7.937 -4.340 -3.853 310 HB3 ASP 39 3HB ASP 39 7.319 -3.486 -5.265 311 H ILE 40 H ILE 40 9.454 -3.196 -2.438 312 HA ILE 40 HA ILE 40 8.105 -0.977 -1.588 313 HB ILE 40 HB ILE 40 10.487 -2.439 -0.412 314 HG12 ILE 40 2HG1 ILE 40 8.411 -3.766 -0.571 315 HG13 ILE 40 3HG1 ILE 40 8.843 -3.488 1.108 316 HG21 ILE 40 1HG2 ILE 40 10.615 -0.238 0.568 317 HG22 ILE 40 2HG2 ILE 40 10.062 -1.395 1.780 318 HG23 ILE 40 3HG2 ILE 40 8.909 -0.299 1.017 319 HD11 ILE 40 3HD1 ILE 40 7.111 -1.780 1.272 320 HD12 ILE 40 1HD1 ILE 40 6.454 -3.328 0.746 321 HD13 ILE 40 2HD1 ILE 40 6.691 -2.032 -0.425 322 H ARG 41 H ARG 41 11.639 -1.137 -2.212 323 HA ARG 41 HA ARG 41 12.186 1.568 -1.496 324 HB2 ARG 41 2HB ARG 41 13.837 -0.371 -3.167 325 HB3 ARG 41 3HB ARG 41 14.431 1.149 -2.493 326 HG2 ARG 41 2HG ARG 41 14.121 0.311 -0.219 327 HG3 ARG 41 3HG ARG 41 13.392 -1.174 -0.834 328 HD2 ARG 41 2HD ARG 41 16.268 -0.266 -1.163 329 HD3 ARG 41 3HD ARG 41 15.683 -1.633 -0.211 330 HE ARG 41 HE ARG 41 15.027 -1.830 -3.015 331 HH11 ARG 41 1HH1 ARG 41 17.553 -2.509 -0.663 332 HH12 ARG 41 2HH1 ARG 41 18.296 -3.731 -1.641 333 HH21 ARG 41 1HH2 ARG 41 16.072 -3.367 -4.321 334 HH22 ARG 41 2HH2 ARG 41 17.458 -4.218 -3.716 335 H ASP 42 H ASP 42 11.545 -0.054 -4.607 336 HA ASP 42 HA ASP 42 11.944 2.151 -6.346 337 HB2 ASP 42 2HB ASP 42 11.653 -0.230 -7.104 338 HB3 ASP 42 3HB ASP 42 9.949 -0.144 -6.680 339 H ILE 43 H ILE 43 9.169 1.170 -4.396 340 HA ILE 43 HA ILE 43 7.245 2.971 -5.521 341 HB ILE 43 HB ILE 43 7.241 1.375 -2.925 342 HG12 ILE 43 2HG1 ILE 43 5.685 0.885 -5.510 343 HG13 ILE 43 3HG1 ILE 43 7.182 0.064 -5.092 344 HG21 ILE 43 1HG2 ILE 43 4.954 2.969 -4.130 345 HG22 ILE 43 2HG2 ILE 43 5.779 3.310 -2.608 346 HG23 ILE 43 3HG2 ILE 43 4.811 1.851 -2.778 347 HD11 ILE 43 3HD1 ILE 43 4.572 -0.131 -3.592 348 HD12 ILE 43 1HD1 ILE 43 6.081 -0.929 -3.136 349 HD13 ILE 43 2HD1 ILE 43 5.283 -1.351 -4.650 350 H ILE 44 H ILE 44 9.352 3.076 -2.647 351 HA ILE 44 HA ILE 44 8.311 5.542 -1.608 352 HB ILE 44 HB ILE 44 10.913 4.059 -1.015 353 HG12 ILE 44 2HG1 ILE 44 8.294 4.184 0.567 354 HG13 ILE 44 3HG1 ILE 44 8.753 2.855 -0.488 355 HG21 ILE 44 1HG2 ILE 44 9.686 6.377 0.539 356 HG22 ILE 44 2HG2 ILE 44 11.177 6.441 -0.402 357 HG23 ILE 44 3HG2 ILE 44 11.090 5.433 1.043 358 HD11 ILE 44 3HD1 ILE 44 10.666 2.384 0.969 359 HD12 ILE 44 1HD1 ILE 44 9.118 2.277 1.805 360 HD13 ILE 44 2HD1 ILE 44 10.151 3.687 2.044 361 H LYS 45 H LYS 45 10.947 4.678 -3.798 362 HA LYS 45 HA LYS 45 11.969 7.270 -4.291 363 HB2 LYS 45 2HB LYS 45 13.249 5.375 -4.998 364 HB3 LYS 45 3HB LYS 45 11.920 4.710 -5.925 365 HG2 LYS 45 2HG LYS 45 12.994 7.374 -6.812 366 HG3 LYS 45 3HG LYS 45 14.034 5.972 -7.063 367 HD2 LYS 45 2HD LYS 45 11.187 6.288 -8.118 368 HD3 LYS 45 3HD LYS 45 12.666 6.452 -9.072 369 HE2 LYS 45 2HE LYS 45 13.210 4.085 -8.663 370 HE3 LYS 45 3HE LYS 45 11.776 3.913 -7.651 371 HZ1 LYS 45 3HZ LYS 45 11.417 3.040 -9.862 372 HZ2 LYS 45 1HZ LYS 45 11.777 4.544 -10.550 373 HZ3 LYS 45 2HZ LYS 45 10.408 4.362 -9.577 374 H SER 46 H SER 46 9.178 5.506 -5.619 375 HA SER 46 HA SER 46 8.396 7.448 -7.566 376 HB2 SER 46 2HB SER 46 7.618 5.114 -7.707 377 HB3 SER 46 3HB SER 46 6.741 5.287 -6.188 378 HG SER 46 HG SER 46 6.244 6.952 -8.422 379 H MET 47 H MET 47 7.712 7.007 -4.148 380 HA MET 47 HA MET 47 5.622 8.878 -3.802 381 HB2 MET 47 2HB MET 47 7.739 7.821 -1.886 382 HB3 MET 47 3HB MET 47 6.472 8.923 -1.369 383 HG2 MET 47 2HG MET 47 6.009 6.167 -2.535 384 HG3 MET 47 3HG MET 47 5.963 6.577 -0.819 385 HE1 MET 47 3HE MET 47 2.881 9.069 -0.784 386 HE2 MET 47 1HE MET 47 4.568 9.510 -1.041 387 HE3 MET 47 2HE MET 47 4.142 8.325 0.199 388 H LYS 48 H LYS 48 9.155 9.148 -3.713 389 HA LYS 48 HA LYS 48 9.117 11.980 -3.061 390 HB2 LYS 48 2HB LYS 48 11.455 10.196 -3.821 391 HB3 LYS 48 3HB LYS 48 11.559 11.826 -3.151 392 HG2 LYS 48 2HG LYS 48 10.208 10.835 -1.141 393 HG3 LYS 48 3HG LYS 48 10.701 9.268 -1.791 394 HD2 LYS 48 2HD LYS 48 12.319 9.862 -0.138 395 HD3 LYS 48 3HD LYS 48 13.097 10.100 -1.699 396 HE2 LYS 48 2HE LYS 48 12.592 12.546 -1.539 397 HE3 LYS 48 3HE LYS 48 11.896 12.271 0.061 398 HZ1 LYS 48 3HZ LYS 48 14.044 11.502 0.826 399 HZ2 LYS 48 1HZ LYS 48 14.177 13.059 0.178 400 HZ3 LYS 48 2HZ LYS 48 14.706 11.725 -0.710 401 H ASP 49 H ASP 49 9.414 10.018 -5.949 402 HA ASP 49 HA ASP 49 10.540 11.873 -7.748 403 HB2 ASP 49 2HB ASP 49 10.268 9.463 -8.286 404 HB3 ASP 49 3HB ASP 49 8.518 9.644 -8.307 405 H ASN 50 H ASN 50 7.227 11.184 -6.812 406 HA ASN 50 HA ASN 50 6.450 13.946 -7.139 407 HB2 ASN 50 2HB ASN 50 6.026 12.943 -9.430 408 HB3 ASN 50 3HB ASN 50 4.931 11.779 -8.688 409 HD21 ASN 50 1HD2 ASN 50 2.944 12.557 -7.815 410 HD22 ASN 50 2HD2 ASN 50 2.283 14.068 -8.307 411 H GLY 51 H GLY 51 5.391 14.340 -5.273 412 HA2 GLY 51 2HA GLY 51 4.587 12.211 -3.503 413 HA3 GLY 51 3HA GLY 51 4.473 13.937 -3.202 414 H LYS 52 H LYS 52 2.804 11.122 -4.355 415 HA LYS 52 HA LYS 52 0.241 12.619 -4.287 416 HB2 LYS 52 2HB LYS 52 -0.682 11.363 -6.071 417 HB3 LYS 52 3HB LYS 52 0.933 11.742 -6.637 418 HG2 LYS 52 2HG LYS 52 0.211 9.073 -5.381 419 HG3 LYS 52 3HG LYS 52 0.063 9.389 -7.107 420 HD2 LYS 52 2HD LYS 52 2.673 9.662 -5.566 421 HD3 LYS 52 3HD LYS 52 2.179 8.191 -6.411 422 HE2 LYS 52 2HE LYS 52 2.096 9.460 -8.541 423 HE3 LYS 52 3HE LYS 52 2.642 10.909 -7.684 424 HZ1 LYS 52 3HZ LYS 52 4.151 8.363 -7.902 425 HZ2 LYS 52 1HZ LYS 52 4.680 9.757 -7.108 426 HZ3 LYS 52 2HZ LYS 52 4.460 9.767 -8.785 427 HA PRO 53 HA PRO 53 -1.092 9.387 -1.341 428 HB2 PRO 53 2HB PRO 53 -3.727 8.972 -2.097 429 HB3 PRO 53 3HB PRO 53 -3.190 10.354 -1.123 430 HG2 PRO 53 2HG PRO 53 -3.740 10.235 -4.069 431 HG3 PRO 53 3HG PRO 53 -4.182 11.495 -2.891 432 HD2 PRO 53 2HD PRO 53 -2.058 11.787 -4.546 433 HD3 PRO 53 3HD PRO 53 -2.046 12.442 -2.894 434 H LEU 54 H LEU 54 0.195 7.644 -1.965 435 HA LEU 54 HA LEU 54 -0.752 5.798 -4.081 436 HB2 LEU 54 2HB LEU 54 1.778 5.881 -2.400 437 HB3 LEU 54 3HB LEU 54 1.333 4.420 -3.265 438 HG LEU 54 HG LEU 54 1.967 7.118 -4.532 439 HD11 LEU 54 1HD1 LEU 54 3.537 4.519 -4.626 440 HD12 LEU 54 2HD1 LEU 54 3.971 5.951 -3.700 441 HD13 LEU 54 3HD1 LEU 54 3.948 6.022 -5.457 442 HD21 LEU 54 3HD2 LEU 54 1.206 4.498 -5.861 443 HD22 LEU 54 1HD2 LEU 54 1.794 5.941 -6.694 444 HD23 LEU 54 2HD2 LEU 54 0.257 5.985 -5.838 445 H VAL 55 H VAL 55 -1.246 3.589 -3.597 446 HA VAL 55 HA VAL 55 -1.738 2.897 -0.747 447 HB VAL 55 HB VAL 55 -3.548 2.111 -3.100 448 HG11 VAL 55 1HG1 VAL 55 -5.066 1.188 -1.367 449 HG12 VAL 55 2HG1 VAL 55 -3.882 1.589 -0.121 450 HG13 VAL 55 3HG1 VAL 55 -3.492 0.386 -1.352 451 HG21 VAL 55 3HG2 VAL 55 -5.280 3.583 -2.106 452 HG22 VAL 55 1HG2 VAL 55 -3.848 4.506 -2.575 453 HG23 VAL 55 2HG2 VAL 55 -4.129 4.114 -0.877 454 H VAL 56 H VAL 56 -0.016 1.501 -0.417 455 HA VAL 56 HA VAL 56 0.828 -0.361 -2.527 456 HB VAL 56 HB VAL 56 2.038 0.143 0.232 457 HG11 VAL 56 1HG1 VAL 56 4.012 -1.145 -0.589 458 HG12 VAL 56 2HG1 VAL 56 3.132 -1.541 -2.067 459 HG13 VAL 56 3HG1 VAL 56 2.564 -2.153 -0.512 460 HG21 VAL 56 3HG2 VAL 56 3.013 1.007 -2.508 461 HG22 VAL 56 1HG2 VAL 56 3.787 1.357 -0.960 462 HG23 VAL 56 2HG2 VAL 56 2.212 2.054 -1.341 463 H PHE 57 H PHE 57 -0.499 -2.070 -2.676 464 HA PHE 57 HA PHE 57 -1.360 -3.660 -0.404 465 HB2 PHE 57 2HB PHE 57 -1.436 -4.122 -3.422 466 HB3 PHE 57 3HB PHE 57 -2.112 -5.228 -2.244 467 HD1 PHE 57 HD1 PHE 57 -2.535 -1.917 -3.851 468 HD2 PHE 57 HD2 PHE 57 -4.229 -4.764 -1.139 469 HE1 PHE 57 HE1 PHE 57 -4.685 -0.725 -3.926 470 HE2 PHE 57 HE2 PHE 57 -6.368 -3.558 -1.219 471 HZ PHE 57 HZ PHE 57 -6.601 -1.540 -2.614 472 H VAL 58 H VAL 58 0.330 -4.751 0.680 473 HA VAL 58 HA VAL 58 2.490 -5.968 -0.900 474 HB VAL 58 HB VAL 58 3.488 -6.658 1.304 475 HG11 VAL 58 1HG1 VAL 58 2.971 -3.685 0.954 476 HG12 VAL 58 2HG1 VAL 58 4.241 -4.627 0.173 477 HG13 VAL 58 3HG1 VAL 58 4.270 -4.391 1.921 478 HG21 VAL 58 3HG2 VAL 58 2.667 -5.620 3.397 479 HG22 VAL 58 1HG2 VAL 58 1.475 -6.727 2.709 480 HG23 VAL 58 2HG2 VAL 58 1.264 -4.983 2.531 481 H ASN 59 H ASN 59 2.480 -7.987 -1.560 482 HA ASN 59 HA ASN 59 0.152 -9.656 -1.142 483 HB2 ASN 59 2HB ASN 59 2.630 -10.073 -2.876 484 HB3 ASN 59 3HB ASN 59 1.194 -11.092 -2.916 485 HD21 ASN 59 1HD2 ASN 59 -0.742 -8.981 -2.733 486 HD22 ASN 59 2HD2 ASN 59 -0.703 -8.144 -4.239 487 H GLY 60 H GLY 60 0.558 -10.051 1.159 488 HA2 GLY 60 2HA GLY 60 1.329 -11.220 2.976 489 HA3 GLY 60 3HA GLY 60 1.630 -12.529 1.838 490 H ALA 61 H ALA 61 3.185 -9.335 1.884 491 HA ALA 61 HA ALA 61 5.810 -10.374 1.568 492 HB1 ALA 61 3HB ALA 61 5.168 -8.137 0.744 493 HB2 ALA 61 1HB ALA 61 6.566 -8.041 1.819 494 HB3 ALA 61 2HB ALA 61 4.965 -7.570 2.404 495 H SER 62 H SER 62 7.525 -10.476 3.018 496 HA SER 62 HA SER 62 6.974 -11.332 5.646 497 HB2 SER 62 2HB SER 62 9.612 -10.529 4.332 498 HB3 SER 62 3HB SER 62 9.490 -11.329 5.902 499 HG SER 62 HG SER 62 9.062 -13.165 4.945 500 H GLN 63 H GLN 63 7.621 -10.400 7.673 501 HA GLN 63 HA GLN 63 7.027 -7.677 8.062 502 HB2 GLN 63 2HB GLN 63 6.793 -9.381 9.846 503 HB3 GLN 63 3HB GLN 63 8.543 -9.554 9.930 504 HG2 GLN 63 2HG GLN 63 8.782 -7.279 10.766 505 HG3 GLN 63 3HG GLN 63 7.067 -6.966 10.520 506 HE21 GLN 63 1HE2 GLN 63 5.570 -7.805 11.992 507 HE22 GLN 63 2HE2 GLN 63 6.048 -8.437 13.527 508 H ASN 64 H ASN 64 10.004 -9.268 7.222 509 HA ASN 64 HA ASN 64 11.939 -7.313 7.678 510 HB2 ASN 64 2HB ASN 64 11.706 -9.112 5.213 511 HB3 ASN 64 3HB ASN 64 13.165 -8.281 5.749 512 HD21 ASN 64 1HD2 ASN 64 14.384 -10.099 6.022 513 HD22 ASN 64 2HD2 ASN 64 14.071 -11.305 7.215 514 H ASP 65 H ASP 65 9.884 -7.811 4.802 515 HA ASP 65 HA ASP 65 10.761 -5.561 3.320 516 HB2 ASP 65 2HB ASP 65 8.077 -6.972 2.990 517 HB3 ASP 65 3HB ASP 65 8.973 -6.081 1.759 518 H VAL 66 H VAL 66 8.110 -6.073 5.574 519 HA VAL 66 HA VAL 66 6.715 -3.632 5.265 520 HB VAL 66 HB VAL 66 6.907 -5.464 7.706 521 HG11 VAL 66 1HG1 VAL 66 4.872 -3.270 7.135 522 HG12 VAL 66 2HG1 VAL 66 6.111 -3.233 8.390 523 HG13 VAL 66 3HG1 VAL 66 4.798 -4.407 8.485 524 HG21 VAL 66 3HG2 VAL 66 4.748 -6.406 6.918 525 HG22 VAL 66 1HG2 VAL 66 6.021 -6.620 5.713 526 HG23 VAL 66 2HG2 VAL 66 4.807 -5.357 5.499 527 H ASN 67 H ASN 67 9.365 -4.621 7.452 528 HA ASN 67 HA ASN 67 9.585 -2.134 8.829 529 HB2 ASN 67 2HB ASN 67 11.530 -4.462 8.567 530 HB3 ASN 67 3HB ASN 67 11.893 -3.028 9.529 531 HD21 ASN 67 1HD2 ASN 67 11.660 -5.736 10.447 532 HD22 ASN 67 2HD2 ASN 67 10.393 -5.760 11.619 533 H GLU 68 H GLU 68 11.137 -3.462 5.925 534 HA GLU 68 HA GLU 68 13.015 -1.402 5.477 535 HB2 GLU 68 2HB GLU 68 11.585 -3.160 3.431 536 HB3 GLU 68 3HB GLU 68 12.981 -2.146 3.078 537 HG2 GLU 68 2HG GLU 68 12.894 -4.588 4.866 538 HG3 GLU 68 3HG GLU 68 13.692 -4.444 3.308 539 H PHE 69 H PHE 69 9.584 -1.740 4.669 540 HA PHE 69 HA PHE 69 9.282 0.518 3.013 541 HB2 PHE 69 2HB PHE 69 7.591 -1.325 3.242 542 HB3 PHE 69 3HB PHE 69 7.192 -0.732 4.851 543 HD1 PHE 69 HD2 PHE 69 7.086 0.086 1.230 544 HD2 PHE 69 HD1 PHE 69 5.700 1.171 5.132 545 HE1 PHE 69 HE2 PHE 69 5.429 1.587 0.225 546 HE2 PHE 69 HE1 PHE 69 4.052 2.676 4.107 547 HZ PHE 69 HZ PHE 69 3.918 2.876 1.660 548 H GLN 70 H GLN 70 8.785 0.073 6.481 549 HA GLN 70 HA GLN 70 7.892 2.683 7.088 550 HB2 GLN 70 2HB GLN 70 9.200 0.586 8.869 551 HB3 GLN 70 3HB GLN 70 8.323 2.004 9.448 552 HG2 GLN 70 2HG GLN 70 6.245 1.183 8.524 553 HG3 GLN 70 3HG GLN 70 7.073 -0.144 7.713 554 HE21 GLN 70 1HE2 GLN 70 8.783 -0.812 9.966 555 HE22 GLN 70 2HE2 GLN 70 7.764 -1.559 11.132 556 H ASN 71 H ASN 71 11.103 1.168 7.324 557 HA ASN 71 HA ASN 71 12.494 3.304 8.541 558 HB2 ASN 71 2HB ASN 71 13.473 0.960 6.859 559 HB3 ASN 71 3HB ASN 71 14.570 2.101 7.633 560 HD21 ASN 71 1HD2 ASN 71 14.093 -0.816 8.013 561 HD22 ASN 71 2HD2 ASN 71 13.833 -1.006 9.711 562 H GLU 72 H GLU 72 12.382 2.234 5.131 563 HA GLU 72 HA GLU 72 14.020 4.349 4.168 564 HB2 GLU 72 2HB GLU 72 12.185 2.487 2.611 565 HB3 GLU 72 3HB GLU 72 13.368 3.571 1.887 566 HG2 GLU 72 2HG GLU 72 13.866 1.094 3.553 567 HG3 GLU 72 3HG GLU 72 14.332 1.395 1.880 568 H ALA 73 H ALA 73 10.578 4.131 4.757 569 HA ALA 73 HA ALA 73 9.878 6.418 3.146 570 HB1 ALA 73 3HB ALA 73 8.207 4.691 3.663 571 HB2 ALA 73 1HB ALA 73 7.680 6.277 4.233 572 HB3 ALA 73 2HB ALA 73 8.309 5.087 5.380 573 H LYS 74 H LYS 74 10.273 5.900 6.708 574 HA LYS 74 HA LYS 74 9.554 8.591 7.313 575 HB2 LYS 74 2HB LYS 74 10.043 8.103 9.653 576 HB3 LYS 74 3HB LYS 74 9.083 6.841 8.928 577 HG2 LYS 74 2HG LYS 74 10.517 5.622 10.256 578 HG3 LYS 74 3HG LYS 74 11.351 5.551 8.706 579 HD2 LYS 74 2HD LYS 74 13.019 7.104 9.405 580 HD3 LYS 74 3HD LYS 74 12.051 7.665 10.772 581 HE2 LYS 74 2HE LYS 74 13.978 6.204 11.424 582 HE3 LYS 74 3HE LYS 74 12.412 5.596 11.962 583 HZ1 LYS 74 3HZ LYS 74 12.410 4.020 10.173 584 HZ2 LYS 74 1HZ LYS 74 13.851 3.861 11.040 585 HZ3 LYS 74 2HZ LYS 74 13.849 4.644 9.544 586 H LYS 75 H LYS 75 12.670 7.024 6.813 587 HA LYS 75 HA LYS 75 14.318 9.092 7.872 588 HB2 LYS 75 2HB LYS 75 16.169 8.075 6.659 589 HB3 LYS 75 3HB LYS 75 15.176 6.799 7.353 590 HG2 LYS 75 2HG LYS 75 14.201 6.283 5.198 591 HG3 LYS 75 3HG LYS 75 14.958 7.694 4.461 592 HD2 LYS 75 2HD LYS 75 16.143 5.640 3.839 593 HD3 LYS 75 3HD LYS 75 17.183 6.701 4.792 594 HE2 LYS 75 2HE LYS 75 16.784 5.318 6.786 595 HE3 LYS 75 3HE LYS 75 15.689 4.283 5.861 596 HZ1 LYS 75 3HZ LYS 75 17.877 3.309 6.044 597 HZ2 LYS 75 1HZ LYS 75 18.580 4.664 5.324 598 HZ3 LYS 75 2HZ LYS 75 17.535 3.677 4.431 599 H GLU 76 H GLU 76 12.596 8.693 4.888 600 HA GLU 76 HA GLU 76 13.925 10.917 3.518 601 HB2 GLU 76 2HB GLU 76 11.762 8.974 2.602 602 HB3 GLU 76 3HB GLU 76 12.526 10.194 1.591 603 HG2 GLU 76 2HG GLU 76 13.876 7.793 2.842 604 HG3 GLU 76 3HG GLU 76 13.461 7.994 1.142 605 H GLY 77 H GLY 77 11.452 10.617 5.717 606 HA2 GLY 77 2HA GLY 77 9.949 12.185 6.481 607 HA3 GLY 77 3HA GLY 77 10.320 13.210 5.108 608 H VAL 78 H VAL 78 9.576 10.135 4.012 609 HA VAL 78 HA VAL 78 7.081 10.918 2.839 610 HB VAL 78 HB VAL 78 8.469 8.194 2.909 611 HG11 VAL 78 1HG1 VAL 78 6.163 9.101 1.145 612 HG12 VAL 78 2HG1 VAL 78 6.071 7.908 2.441 613 HG13 VAL 78 3HG1 VAL 78 7.026 7.567 0.997 614 HG21 VAL 78 3HG2 VAL 78 8.484 10.320 0.732 615 HG22 VAL 78 1HG2 VAL 78 9.240 8.726 0.619 616 HG23 VAL 78 2HG2 VAL 78 9.837 9.909 1.787 617 H SER 79 H SER 79 5.226 10.935 3.933 618 HA SER 79 HA SER 79 4.808 9.593 6.430 619 HB2 SER 79 2HB SER 79 3.787 11.812 5.927 620 HB3 SER 79 3HB SER 79 2.817 11.079 4.648 621 HG SER 79 HG SER 79 2.716 10.488 7.422 622 H TYR 80 H TYR 80 3.713 7.718 6.806 623 HA TYR 80 HA TYR 80 2.418 6.251 4.609 624 HB2 TYR 80 2HB TYR 80 3.643 4.176 5.190 625 HB3 TYR 80 3HB TYR 80 4.737 5.434 4.640 626 HD1 TYR 80 HD2 TYR 80 6.167 6.671 6.328 627 HD2 TYR 80 HD1 TYR 80 3.923 3.194 7.419 628 HE1 TYR 80 HE2 TYR 80 7.547 6.407 8.323 629 HE2 TYR 80 HE1 TYR 80 5.322 2.936 9.426 630 HH TYR 80 HH TYR 80 7.524 5.377 10.470 631 H ASP 81 H ASP 81 0.957 4.655 5.317 632 HA ASP 81 HA ASP 81 0.132 4.752 8.165 633 HB2 ASP 81 2HB ASP 81 -1.254 6.334 6.743 634 HB3 ASP 81 3HB ASP 81 -1.770 4.952 5.787 635 H VAL 82 H VAL 82 -0.042 2.740 8.906 636 HA VAL 82 HA VAL 82 0.032 0.460 7.064 637 HB VAL 82 HB VAL 82 0.343 0.503 10.103 638 HG11 VAL 82 1HG1 VAL 82 1.113 -1.846 9.879 639 HG12 VAL 82 2HG1 VAL 82 0.778 -1.795 8.148 640 HG13 VAL 82 3HG1 VAL 82 -0.548 -1.670 9.304 641 HG21 VAL 82 3HG2 VAL 82 2.751 0.116 9.676 642 HG22 VAL 82 1HG2 VAL 82 2.221 1.631 8.936 643 HG23 VAL 82 2HG2 VAL 82 2.466 0.198 7.935 644 H LEU 83 H LEU 83 -1.877 -0.200 6.389 645 HA LEU 83 HA LEU 83 -4.192 -0.469 8.194 646 HB2 LEU 83 2HB LEU 83 -4.661 0.674 6.098 647 HB3 LEU 83 3HB LEU 83 -3.895 -0.604 5.170 648 HG LEU 83 HG LEU 83 -5.733 -2.169 5.819 649 HD11 LEU 83 1HD1 LEU 83 -6.393 -1.232 7.962 650 HD12 LEU 83 2HD1 LEU 83 -7.785 -1.328 6.886 651 HD13 LEU 83 3HD1 LEU 83 -7.001 0.226 7.175 652 HD21 LEU 83 3HD2 LEU 83 -5.884 -0.983 3.709 653 HD22 LEU 83 1HD2 LEU 83 -6.655 0.397 4.495 654 HD23 LEU 83 2HD2 LEU 83 -7.489 -1.158 4.411 655 H LYS 84 H LYS 84 -3.971 -2.354 9.304 656 HA LYS 84 HA LYS 84 -3.093 -4.823 7.941 657 HB2 LYS 84 2HB LYS 84 -2.134 -4.097 10.219 658 HB3 LYS 84 3HB LYS 84 -3.718 -4.432 10.899 659 HG2 LYS 84 2HG LYS 84 -2.479 -6.384 11.351 660 HG3 LYS 84 3HG LYS 84 -3.450 -6.818 9.945 661 HD2 LYS 84 2HD LYS 84 -1.188 -7.640 9.630 662 HD3 LYS 84 3HD LYS 84 -1.477 -6.325 8.482 663 HE2 LYS 84 2HE LYS 84 0.767 -6.205 9.570 664 HE3 LYS 84 3HE LYS 84 -0.217 -4.772 9.867 665 HZ1 LYS 84 3HZ LYS 84 0.909 -5.503 11.865 666 HZ2 LYS 84 1HZ LYS 84 0.187 -7.025 11.759 667 HZ3 LYS 84 2HZ LYS 84 -0.761 -5.662 12.059 668 H SER 85 H SER 85 -4.845 -5.596 6.805 669 HA SER 85 HA SER 85 -7.225 -6.491 8.206 670 HB2 SER 85 2HB SER 85 -7.545 -4.329 6.071 671 HB3 SER 85 3HB SER 85 -8.862 -5.200 6.852 672 HG SER 85 HG SER 85 -8.682 -3.303 7.904 673 H THR 86 H THR 86 -8.198 -8.166 7.092 674 HA THR 86 HA THR 86 -7.236 -8.809 4.344 675 HB THR 86 HB THR 86 -7.820 -11.199 4.932 676 HG1 THR 86 HG1 THR 86 -9.311 -10.786 6.606 677 HG21 THR 86 3HG2 THR 86 -5.895 -11.618 6.430 678 HG22 THR 86 1HG2 THR 86 -5.829 -9.900 6.836 679 HG23 THR 86 2HG2 THR 86 -5.477 -10.432 5.189 680 H ASP 87 H ASP 87 -9.735 -7.358 5.740 681 HA ASP 87 HA ASP 87 -12.009 -8.808 4.650 682 HB2 ASP 87 2HB ASP 87 -11.823 -6.093 6.034 683 HB3 ASP 87 3HB ASP 87 -13.327 -6.912 5.617 684 HA PRO 88 HA PRO 88 -11.068 -6.847 0.673 685 HB2 PRO 88 2HB PRO 88 -13.371 -7.682 -0.689 686 HB3 PRO 88 3HB PRO 88 -11.920 -8.677 -0.450 687 HG2 PRO 88 2HG PRO 88 -14.466 -8.658 1.142 688 HG3 PRO 88 3HG PRO 88 -13.508 -10.044 0.571 689 HD2 PRO 88 2HD PRO 88 -13.328 -9.234 3.116 690 HD3 PRO 88 3HD PRO 88 -11.875 -9.783 2.242 691 H GLU 89 H GLU 89 -14.460 -6.550 1.807 692 HA GLU 89 HA GLU 89 -15.093 -4.206 0.356 693 HB2 GLU 89 2HB GLU 89 -17.096 -4.073 1.789 694 HB3 GLU 89 3HB GLU 89 -16.825 -5.722 1.235 695 HG2 GLU 89 2HG GLU 89 -15.859 -6.309 3.428 696 HG3 GLU 89 3HG GLU 89 -16.109 -4.659 3.986 697 H GLU 90 H GLU 90 -13.668 -4.705 3.548 698 HA GLU 90 HA GLU 90 -13.899 -2.005 4.455 699 HB2 GLU 90 2HB GLU 90 -13.655 -3.936 6.021 700 HB3 GLU 90 3HB GLU 90 -12.007 -4.180 5.447 701 HG2 GLU 90 2HG GLU 90 -11.367 -1.950 6.294 702 HG3 GLU 90 3HG GLU 90 -13.022 -1.666 6.826 703 H LEU 91 H LEU 91 -11.301 -3.932 2.930 704 HA LEU 91 HA LEU 91 -9.258 -2.017 2.936 705 HB2 LEU 91 2HB LEU 91 -9.833 -4.207 0.902 706 HB3 LEU 91 3HB LEU 91 -8.350 -3.265 0.926 707 HG LEU 91 HG LEU 91 -9.283 -5.199 3.083 708 HD11 LEU 91 1HD1 LEU 91 -8.435 -6.324 1.083 709 HD12 LEU 91 2HD1 LEU 91 -7.338 -6.541 2.444 710 HD13 LEU 91 3HD1 LEU 91 -6.940 -5.386 1.167 711 HD21 LEU 91 3HD2 LEU 91 -8.151 -3.340 4.148 712 HD22 LEU 91 1HD2 LEU 91 -6.800 -3.461 3.016 713 HD23 LEU 91 2HD2 LEU 91 -7.107 -4.757 4.175 714 H THR 92 H THR 92 -11.906 -2.568 0.655 715 HA THR 92 HA THR 92 -11.140 -0.731 -1.343 716 HB THR 92 HB THR 92 -13.909 -1.818 -0.672 717 HG1 THR 92 HG1 THR 92 -11.943 -3.201 -1.325 718 HG21 THR 92 3HG2 THR 92 -14.092 0.164 -2.163 719 HG22 THR 92 1HG2 THR 92 -14.490 -1.324 -3.031 720 HG23 THR 92 2HG2 THR 92 -12.919 -0.558 -3.265 721 H GLN 93 H GLN 93 -13.385 -0.395 1.462 722 HA GLN 93 HA GLN 93 -14.075 2.321 0.892 723 HB2 GLN 93 2HB GLN 93 -15.232 2.390 2.994 724 HB3 GLN 93 3HB GLN 93 -15.514 0.806 2.291 725 HG2 GLN 93 2HG GLN 93 -13.843 -0.167 3.807 726 HG3 GLN 93 3HG GLN 93 -13.536 1.415 4.506 727 HE21 GLN 93 1HE2 GLN 93 -16.358 2.211 4.599 728 HE22 GLN 93 2HE2 GLN 93 -17.068 1.272 5.861 729 H ARG 94 H ARG 94 -11.415 0.823 2.629 730 HA ARG 94 HA ARG 94 -10.575 3.228 3.982 731 HB2 ARG 94 2HB ARG 94 -9.059 0.636 3.489 732 HB3 ARG 94 3HB ARG 94 -8.465 1.964 4.481 733 HG2 ARG 94 2HG ARG 94 -10.901 0.245 5.043 734 HG3 ARG 94 3HG ARG 94 -9.357 0.193 5.889 735 HD2 ARG 94 2HD ARG 94 -9.760 2.520 6.684 736 HD3 ARG 94 3HD ARG 94 -11.335 2.500 5.888 737 HE ARG 94 HE ARG 94 -11.947 0.644 7.400 738 HH11 ARG 94 1HH1 ARG 94 -9.332 2.770 8.399 739 HH12 ARG 94 2HH1 ARG 94 -9.543 2.432 10.086 740 HH21 ARG 94 1HH2 ARG 94 -12.214 0.211 9.600 741 HH22 ARG 94 2HH2 ARG 94 -11.184 0.975 10.768 742 H VAL 95 H VAL 95 -9.981 1.813 0.807 743 HA VAL 95 HA VAL 95 -7.737 3.435 0.116 744 HB VAL 95 HB VAL 95 -9.796 2.138 -1.738 745 HG11 VAL 95 1HG1 VAL 95 -7.104 3.384 -2.451 746 HG12 VAL 95 2HG1 VAL 95 -8.691 4.006 -2.908 747 HG13 VAL 95 3HG1 VAL 95 -8.129 2.468 -3.561 748 HG21 VAL 95 3HG2 VAL 95 -8.497 0.496 -0.417 749 HG22 VAL 95 1HG2 VAL 95 -6.991 1.214 -0.984 750 HG23 VAL 95 2HG2 VAL 95 -8.072 0.407 -2.124 751 H ARG 96 H ARG 96 -11.284 3.842 -0.492 752 HA ARG 96 HA ARG 96 -11.017 6.389 -1.756 753 HB2 ARG 96 2HB ARG 96 -13.485 6.615 -1.458 754 HB3 ARG 96 3HB ARG 96 -13.003 5.098 -2.201 755 HG2 ARG 96 2HG ARG 96 -13.256 3.985 0.033 756 HG3 ARG 96 3HG ARG 96 -13.902 5.500 0.665 757 HD2 ARG 96 2HD ARG 96 -15.710 3.959 0.094 758 HD3 ARG 96 3HD ARG 96 -15.757 5.373 -0.962 759 HE ARG 96 HE ARG 96 -14.411 3.783 -2.531 760 HH11 ARG 96 1HH1 ARG 96 -17.174 2.883 -0.554 761 HH12 ARG 96 2HH1 ARG 96 -17.656 1.609 -1.621 762 HH21 ARG 96 1HH2 ARG 96 -15.029 2.073 -3.854 763 HH22 ARG 96 2HH2 ARG 96 -16.443 1.149 -3.489 764 H GLU 97 H GLU 97 -11.626 5.429 1.609 765 HA GLU 97 HA GLU 97 -11.973 7.972 2.755 766 HB2 GLU 97 2HB GLU 97 -10.965 5.324 3.823 767 HB3 GLU 97 3HB GLU 97 -10.832 6.757 4.835 768 HG2 GLU 97 2HG GLU 97 -13.404 5.666 3.668 769 HG3 GLU 97 3HG GLU 97 -12.854 5.444 5.328 770 H PHE 98 H PHE 98 -9.044 6.073 2.120 771 HA PHE 98 HA PHE 98 -7.160 7.798 3.265 772 HB2 PHE 98 2HB PHE 98 -6.563 5.506 2.709 773 HB3 PHE 98 3HB PHE 98 -6.878 5.784 0.997 774 HD1 PHE 98 HD1 PHE 98 -4.681 6.897 3.814 775 HD2 PHE 98 HD2 PHE 98 -5.113 6.490 -0.428 776 HE1 PHE 98 HE1 PHE 98 -2.360 7.620 3.493 777 HE2 PHE 98 HE2 PHE 98 -2.794 7.214 -0.722 778 HZ PHE 98 HZ PHE 98 -1.427 7.784 1.230 779 H LEU 99 H LEU 99 -8.205 7.532 -0.158 780 HA LEU 99 HA LEU 99 -6.525 9.508 -1.251 781 HB2 LEU 99 2HB LEU 99 -9.256 8.576 -2.235 782 HB3 LEU 99 3HB LEU 99 -8.094 9.476 -3.198 783 HG LEU 99 HG LEU 99 -7.648 6.663 -2.116 784 HD11 LEU 99 1HD1 LEU 99 -7.918 5.886 -4.426 785 HD12 LEU 99 2HD1 LEU 99 -8.327 7.524 -4.943 786 HD13 LEU 99 3HD1 LEU 99 -9.387 6.658 -3.828 787 HD21 LEU 99 3HD2 LEU 99 -5.528 7.857 -2.356 788 HD22 LEU 99 1HD2 LEU 99 -5.932 8.293 -4.020 789 HD23 LEU 99 2HD2 LEU 99 -5.668 6.602 -3.585 790 H LYS 100 H LYS 100 -9.723 9.681 0.188 791 HA LYS 100 HA LYS 100 -10.340 12.378 -0.537 792 HB2 LYS 100 2HB LYS 100 -12.062 10.681 -0.158 793 HB3 LYS 100 3HB LYS 100 -11.559 10.489 1.513 794 HG2 LYS 100 2HG LYS 100 -12.486 12.589 2.150 795 HG3 LYS 100 3HG LYS 100 -12.610 13.133 0.475 796 HD2 LYS 100 2HD LYS 100 -14.824 12.528 1.438 797 HD3 LYS 100 3HD LYS 100 -14.411 11.547 0.032 798 HE2 LYS 100 2HE LYS 100 -15.405 10.114 1.708 799 HE3 LYS 100 3HE LYS 100 -13.695 9.711 1.601 800 HZ1 LYS 100 3HZ LYS 100 -13.367 11.165 3.576 801 HZ2 LYS 100 1HZ LYS 100 -14.310 9.793 3.873 802 HZ3 LYS 100 2HZ LYS 100 -15.042 11.303 3.703 803 H THR 101 H THR 101 -8.984 10.859 2.413 804 HA THR 101 HA THR 101 -8.915 13.394 3.861 805 HB THR 101 HB THR 101 -9.418 11.270 5.074 806 HG1 THR 101 HG1 THR 101 -7.116 12.732 5.937 807 HG21 THR 101 3HG2 THR 101 -7.621 9.722 5.699 808 HG22 THR 101 1HG2 THR 101 -6.473 10.609 4.698 809 HG23 THR 101 2HG2 THR 101 -7.819 9.750 3.946 810 H ALA 102 H ALA 102 -6.812 11.674 1.754 811 HA ALA 102 HA ALA 102 -4.305 12.758 2.716 812 HB1 ALA 102 3HB ALA 102 -4.358 10.609 1.508 813 HB2 ALA 102 1HB ALA 102 -3.328 11.782 0.680 814 HB3 ALA 102 2HB ALA 102 -4.943 11.428 0.059 815 H GLY 103 H GLY 103 -6.566 13.445 0.050 816 HA2 GLY 103 2HA GLY 103 -5.257 15.799 -0.930 817 HA3 GLY 103 3HA GLY 103 -6.919 15.309 -1.238 818 H SER 104 H SER 104 -4.969 17.522 0.405 819 HA SER 104 HA SER 104 -6.771 18.219 2.549 820 HB2 SER 104 2HB SER 104 -4.290 18.612 2.668 821 HB3 SER 104 3HB SER 104 -4.441 19.834 1.409 822 HG SER 104 HG SER 104 -5.711 21.056 2.805 823 H LEU 105 H LEU 105 -8.692 18.363 1.292 824 HA LEU 105 HA LEU 105 -8.982 20.355 -0.798 825 HB2 LEU 105 2HB LEU 105 -11.047 18.481 0.429 826 HB3 LEU 105 3HB LEU 105 -11.288 19.475 -1.003 827 HG LEU 105 HG LEU 105 -9.362 17.127 -0.746 828 HD11 LEU 105 1HD1 LEU 105 -10.797 16.018 -2.389 829 HD12 LEU 105 2HD1 LEU 105 -11.900 17.397 -2.378 830 HD13 LEU 105 3HD1 LEU 105 -11.685 16.421 -0.922 831 HD21 LEU 105 3HD2 LEU 105 -9.838 18.934 -3.146 832 HD22 LEU 105 1HD2 LEU 105 -8.889 17.444 -3.158 833 HD23 LEU 105 2HD2 LEU 105 -8.356 18.817 -2.193 834 H GLU 106 H GLU 106 -9.048 22.368 -0.115 835 HA GLU 106 HA GLU 106 -10.009 23.169 2.474 836 HB2 GLU 106 2HB GLU 106 -9.019 24.891 0.171 837 HB3 GLU 106 3HB GLU 106 -9.197 25.390 1.851 838 HG2 GLU 106 2HG GLU 106 -7.240 23.324 0.793 839 HG3 GLU 106 3HG GLU 106 -6.848 24.963 1.297 840 H HIS 107 H HIS 107 -11.568 22.622 -0.455 841 HA HIS 107 HA HIS 107 -13.672 24.500 -0.459 842 HB2 HIS 107 2HB HIS 107 -13.263 22.926 -2.334 843 HB3 HIS 107 3HB HIS 107 -13.727 21.569 -1.313 844 HD1 HIS 107 HD1 HIS 107 -15.201 24.577 -3.072 845 HD2 HIS 107 HD2 HIS 107 -16.496 21.120 -1.156 846 HE1 HIS 107 HE1 HIS 107 -17.663 24.427 -3.524 847 HE2 HIS 107 HE2 HIS 107 -18.372 22.245 -2.516 848 H HIS 108 H HIS 108 -13.038 21.709 1.547 849 HA HIS 108 HA HIS 108 -15.390 21.435 3.013 850 HB2 HIS 108 2HB HIS 108 -13.515 19.956 3.467 851 HB3 HIS 108 3HB HIS 108 -12.469 21.309 3.883 852 HD1 HIS 108 HD1 HIS 108 -12.178 21.647 6.319 853 HD2 HIS 108 HD2 HIS 108 -15.799 19.795 5.457 854 HE1 HIS 108 HE1 HIS 108 -13.237 21.167 8.541 855 HE2 HIS 108 HE2 HIS 108 -15.305 19.847 7.987 856 H HIS 109 H HIS 109 -16.492 22.832 4.249 857 HA HIS 109 HA HIS 109 -15.920 25.584 4.229 858 HB2 HIS 109 2HB HIS 109 -17.968 24.069 5.901 859 HB3 HIS 109 3HB HIS 109 -17.941 25.817 5.679 860 HD1 HIS 109 HD1 HIS 109 -19.827 23.152 4.537 861 HD2 HIS 109 HD2 HIS 109 -17.847 26.216 2.548 862 HE1 HIS 109 HE1 HIS 109 -20.935 23.329 2.293 863 HE2 HIS 109 HE2 HIS 109 -19.822 25.289 1.178 864 H HIS 110 H HIS 110 -14.042 26.117 5.178 865 HA HIS 110 HA HIS 110 -13.998 26.268 8.103 866 HB2 HIS 110 2HB HIS 110 -12.604 24.258 7.454 867 HB3 HIS 110 3HB HIS 110 -11.588 25.309 6.478 868 HD1 HIS 110 HD1 HIS 110 -12.249 24.270 9.995 869 HD2 HIS 110 HD2 HIS 110 -9.807 26.963 7.985 870 HE1 HIS 110 HE1 HIS 110 -10.512 24.976 11.655 871 HE2 HIS 110 HE2 HIS 110 -9.153 26.721 10.467 872 H HIS 111 H HIS 111 -14.453 28.429 7.935 873 HA HIS 111 HA HIS 111 -13.057 30.218 6.164 874 HB2 HIS 111 2HB HIS 111 -14.353 31.999 7.170 875 HB3 HIS 111 3HB HIS 111 -15.422 30.618 6.970 876 HD1 HIS 111 HD1 HIS 111 -14.241 33.004 9.452 877 HD2 HIS 111 HD2 HIS 111 -15.911 29.205 9.526 878 HE1 HIS 111 HE1 HIS 111 -15.028 32.666 11.806 879 HE2 HIS 111 HE2 HIS 111 -16.112 30.395 11.808 880 H HIS 112 H HIS 112 -11.433 31.682 6.677 881 HA HIS 112 HA HIS 112 -9.890 31.147 9.152 882 HB2 HIS 112 2HB HIS 112 -8.946 32.105 6.408 883 HB3 HIS 112 3HB HIS 112 -7.908 31.991 7.827 884 HD1 HIS 112 HD1 HIS 112 -6.696 29.832 8.075 885 HD2 HIS 112 HD2 HIS 112 -10.082 29.419 5.705 886 HE1 HIS 112 HE1 HIS 112 -6.678 27.456 7.269 887 HE2 HIS 112 HE2 HIS 112 -8.714 27.237 5.816
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