NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
569235 | 2mdt | 17298 | 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 1HT MET 1 0.885 -10.383 -10.491 2 H2 MET 1 2HT MET 1 -0.157 -11.670 -10.715 3 H3 MET 1 3HT MET 1 1.501 -11.952 -10.608 4 HA MET 1 HA MET 1 0.356 -12.538 -8.553 5 HB2 MET 1 2HB MET 1 2.681 -11.567 -8.464 6 HB3 MET 1 1HB MET 1 1.967 -9.973 -8.268 7 HG2 MET 1 2HG MET 1 0.978 -10.705 -6.137 8 HG3 MET 1 1HG MET 1 1.726 -12.284 -6.349 9 HE1 MET 1 2HE MET 1 2.918 -12.229 -4.035 10 HE2 MET 1 3HE MET 1 2.120 -10.696 -3.697 11 HE3 MET 1 1HE MET 1 3.858 -10.862 -3.440 12 H PHE 2 H PHE 2 -1.171 -11.973 -6.998 13 HA PHE 2 HA PHE 2 -2.948 -9.862 -7.828 14 HB2 PHE 2 2HB PHE 2 -3.163 -11.900 -5.602 15 HB3 PHE 2 1HB PHE 2 -4.422 -10.764 -6.051 16 HD1 PHE 2 2HD PHE 2 -5.431 -10.987 -8.375 17 HD2 PHE 2 1HD PHE 2 -2.989 -13.995 -6.619 18 HE1 PHE 2 2HE PHE 2 -6.361 -12.650 -9.921 19 HE2 PHE 2 1HE PHE 2 -3.920 -15.654 -8.160 20 HZ PHE 2 HZ PHE 2 -5.606 -14.988 -9.811 21 H ALA 3 H ALA 3 -3.583 -8.221 -6.451 22 HA ALA 3 HA ALA 3 -2.003 -7.810 -4.030 23 HB1 ALA 3 1HB ALA 3 -2.652 -5.707 -6.104 24 HB2 ALA 3 2HB ALA 3 -1.052 -6.371 -5.775 25 HB3 ALA 3 3HB ALA 3 -1.874 -5.405 -4.551 26 H VAL 4 H VAL 4 -3.430 -7.953 -2.492 27 HA VAL 4 HA VAL 4 -6.210 -7.313 -3.081 28 HB VAL 4 HB VAL 4 -5.065 -8.676 -0.624 29 HG11 VAL 4 1HG1 VAL 4 -7.914 -8.467 -1.607 30 HG12 VAL 4 2HG1 VAL 4 -7.230 -7.629 -0.212 31 HG13 VAL 4 3HG1 VAL 4 -7.382 -9.385 -0.196 32 HG21 VAL 4 3HG2 VAL 4 -6.392 -9.936 -3.030 33 HG22 VAL 4 1HG2 VAL 4 -5.878 -10.774 -1.574 34 HG23 VAL 4 2HG2 VAL 4 -4.678 -10.033 -2.631 35 H ILE 5 H ILE 5 -7.190 -5.679 -2.208 36 HA ILE 5 HA ILE 5 -5.601 -3.791 -0.656 37 HB ILE 5 HB ILE 5 -8.249 -3.448 -2.091 38 HG12 ILE 5 2HG1 ILE 5 -5.481 -2.582 -2.965 39 HG13 ILE 5 1HG1 ILE 5 -6.329 -3.987 -3.597 40 HG21 ILE 5 1HG2 ILE 5 -7.824 -1.051 -1.838 41 HG22 ILE 5 2HG2 ILE 5 -6.350 -1.410 -0.943 42 HG23 ILE 5 3HG2 ILE 5 -7.922 -1.851 -0.270 43 HD11 ILE 5 3HD1 ILE 5 -8.081 -2.523 -4.473 44 HD12 ILE 5 1HD1 ILE 5 -6.494 -2.106 -5.121 45 HD13 ILE 5 2HD1 ILE 5 -7.210 -1.118 -3.850 46 H SER 6 H SER 6 -6.076 -3.441 1.468 47 HA SER 6 HA SER 6 -8.408 -4.734 2.612 48 HB2 SER 6 2HB SER 6 -6.233 -3.101 3.965 49 HB3 SER 6 1HB SER 6 -7.395 -4.172 4.752 50 HG SER 6 HG SER 6 -6.083 -5.432 2.785 51 HA PRO 7 HA PRO 7 -11.028 -1.136 2.506 52 HB2 PRO 7 2HB PRO 7 -11.610 -1.638 5.383 53 HB3 PRO 7 1HB PRO 7 -12.732 -1.452 4.027 54 HG2 PRO 7 2HG PRO 7 -12.230 -3.849 5.040 55 HG3 PRO 7 1HG PRO 7 -12.394 -3.635 3.284 56 HD2 PRO 7 2HD PRO 7 -9.933 -3.994 4.946 57 HD3 PRO 7 1HD PRO 7 -10.322 -4.646 3.338 58 H SER 8 H SER 8 -8.767 -1.375 5.166 59 HA SER 8 HA SER 8 -8.789 1.294 6.038 60 HB2 SER 8 2HB SER 8 -6.459 -0.631 5.959 61 HB3 SER 8 1HB SER 8 -6.548 0.834 6.933 62 HG SER 8 HG SER 8 -7.987 -1.599 7.213 63 H ALA 9 H ALA 9 -7.751 0.078 3.010 64 HA ALA 9 HA ALA 9 -5.821 2.229 2.549 65 HB1 ALA 9 1HB ALA 9 -5.066 0.025 1.962 66 HB2 ALA 9 2HB ALA 9 -5.359 0.886 0.436 67 HB3 ALA 9 3HB ALA 9 -6.528 -0.268 1.046 68 H PHE 10 H PHE 10 -9.015 2.053 2.417 69 HA PHE 10 HA PHE 10 -9.642 2.747 -0.253 70 HB2 PHE 10 2HB PHE 10 -11.158 2.875 2.309 71 HB3 PHE 10 1HB PHE 10 -11.835 3.548 0.829 72 HD1 PHE 10 2HD PHE 10 -9.726 0.675 0.353 73 HD2 PHE 10 1HD PHE 10 -13.671 1.925 1.285 74 HE1 PHE 10 2HE PHE 10 -10.563 -1.536 -0.261 75 HE2 PHE 10 1HE PHE 10 -14.512 -0.288 0.674 76 HZ PHE 10 HZ PHE 10 -12.972 -2.017 -0.102 77 H GLY 11 H GLY 11 -10.370 4.697 -1.140 78 HA2 GLY 11 2HA GLY 11 -10.582 7.014 -1.241 79 HA3 GLY 11 1HA GLY 11 -9.721 7.155 0.287 80 H LYS 12 H LYS 12 -7.665 5.342 -0.469 81 HA LYS 12 HA LYS 12 -6.095 7.108 -2.185 82 HB2 LYS 12 2HB LYS 12 -5.273 5.101 -0.100 83 HB3 LYS 12 1HB LYS 12 -4.156 6.078 -1.057 84 HG2 LYS 12 2HG LYS 12 -4.996 8.103 -0.049 85 HG3 LYS 12 1HG LYS 12 -6.262 7.206 0.784 86 HD2 LYS 12 2HD LYS 12 -4.507 7.685 2.369 87 HD3 LYS 12 1HD LYS 12 -4.530 5.962 1.963 88 HE2 LYS 12 2HE LYS 12 -2.645 6.227 0.486 89 HE3 LYS 12 1HE LYS 12 -2.649 7.970 0.731 90 HZ1 LYS 12 3HZ LYS 12 -0.942 6.827 2.004 91 HZ2 LYS 12 1HZ LYS 12 -2.092 5.950 2.871 92 HZ3 LYS 12 2HZ LYS 12 -2.017 7.628 3.029 93 H LEU 13 H LEU 13 -7.984 4.869 -2.827 94 HA LEU 13 HA LEU 13 -6.604 2.630 -3.876 95 HB2 LEU 13 2HB LEU 13 -9.270 3.765 -4.722 96 HB3 LEU 13 1HB LEU 13 -8.674 2.162 -5.087 97 HG LEU 13 HG LEU 13 -9.377 3.202 -2.343 98 HD11 LEU 13 1HD1 LEU 13 -10.746 1.152 -4.083 99 HD12 LEU 13 2HD1 LEU 13 -11.332 2.781 -3.768 100 HD13 LEU 13 3HD1 LEU 13 -11.220 1.616 -2.449 101 HD21 LEU 13 3HD2 LEU 13 -8.452 0.491 -3.250 102 HD22 LEU 13 1HD2 LEU 13 -9.035 0.883 -1.634 103 HD23 LEU 13 2HD2 LEU 13 -7.549 1.617 -2.233 104 H LYS 14 H LYS 14 -7.279 5.776 -5.068 105 HA LYS 14 HA LYS 14 -7.000 5.224 -7.870 106 HB2 LYS 14 2HB LYS 14 -6.861 7.802 -6.299 107 HB3 LYS 14 1HB LYS 14 -6.938 7.696 -8.051 108 HG2 LYS 14 2HG LYS 14 -9.134 6.780 -7.980 109 HG3 LYS 14 1HG LYS 14 -9.049 6.577 -6.234 110 HD2 LYS 14 2HD LYS 14 -8.779 9.295 -7.472 111 HD3 LYS 14 1HD LYS 14 -10.371 8.585 -7.234 112 HE2 LYS 14 2HE LYS 14 -9.901 10.006 -5.355 113 HE3 LYS 14 1HE LYS 14 -9.847 8.343 -4.808 114 HZ1 LYS 14 3HZ LYS 14 -7.365 8.512 -4.717 115 HZ2 LYS 14 1HZ LYS 14 -8.125 9.734 -3.879 116 HZ3 LYS 14 2HZ LYS 14 -7.446 10.048 -5.363 117 H GLU 15 H GLU 15 -5.111 6.494 -5.303 118 HA GLU 15 HA GLU 15 -2.834 7.321 -6.508 119 HB2 GLU 15 2HB GLU 15 -3.459 6.261 -3.809 120 HB3 GLU 15 1HB GLU 15 -1.868 6.887 -4.214 121 HG2 GLU 15 2HG GLU 15 -3.202 8.575 -3.112 122 HG3 GLU 15 1HG GLU 15 -2.823 9.041 -4.751 123 H ILE 16 H ILE 16 -3.392 4.227 -4.828 124 HA ILE 16 HA ILE 16 -0.924 3.074 -5.553 125 HB ILE 16 HB ILE 16 -1.969 0.861 -4.912 126 HG12 ILE 16 2HG1 ILE 16 -4.353 2.628 -4.291 127 HG13 ILE 16 1HG1 ILE 16 -4.287 1.365 -5.508 128 HG21 ILE 16 1HG2 ILE 16 -2.080 1.415 -2.542 129 HG22 ILE 16 2HG2 ILE 16 -2.246 3.115 -2.956 130 HG23 ILE 16 3HG2 ILE 16 -0.745 2.265 -3.330 131 HD11 ILE 16 3HD1 ILE 16 -4.053 -0.310 -3.781 132 HD12 ILE 16 1HD1 ILE 16 -5.497 0.676 -3.511 133 HD13 ILE 16 2HD1 ILE 16 -4.043 0.954 -2.543 134 H LEU 17 H LEU 17 -4.095 2.784 -7.017 135 HA LEU 17 HA LEU 17 -3.489 0.882 -8.975 136 HB2 LEU 17 2HB LEU 17 -5.590 2.888 -8.506 137 HB3 LEU 17 1HB LEU 17 -5.389 2.385 -10.166 138 HG LEU 17 HG LEU 17 -6.078 0.145 -9.668 139 HD11 LEU 17 1HD1 LEU 17 -6.520 -0.650 -7.490 140 HD12 LEU 17 2HD1 LEU 17 -6.006 0.874 -6.762 141 HD13 LEU 17 3HD1 LEU 17 -4.815 -0.180 -7.573 142 HD21 LEU 17 3HD2 LEU 17 -8.200 0.419 -8.695 143 HD22 LEU 17 1HD2 LEU 17 -7.877 1.828 -9.699 144 HD23 LEU 17 2HD2 LEU 17 -7.734 1.947 -7.948 145 H GLY 18 H GLY 18 -3.533 4.439 -9.191 146 HA2 GLY 18 2HA GLY 18 -2.792 4.422 -11.949 147 HA3 GLY 18 1HA GLY 18 -2.918 5.826 -10.911 148 H SER 19 H SER 19 -0.966 4.698 -8.972 149 HA SER 19 HA SER 19 1.334 5.636 -10.409 150 HB2 SER 19 2HB SER 19 0.966 6.351 -8.079 151 HB3 SER 19 1HB SER 19 1.109 4.679 -7.548 152 HG SER 19 HG SER 19 3.307 4.773 -8.503 153 H ASN 20 H ASN 20 0.620 2.601 -8.608 154 HA ASN 20 HA ASN 20 3.125 1.602 -9.575 155 HB2 ASN 20 2HB ASN 20 2.283 1.136 -7.248 156 HB3 ASN 20 1HB ASN 20 1.080 0.070 -7.950 157 HD21 ASN 20 1HD2 ASN 20 3.462 -0.342 -6.124 158 HD22 ASN 20 2HD2 ASN 20 4.328 -1.638 -6.852 159 H LYS 21 H LYS 21 -0.307 0.644 -10.034 160 HA LYS 21 HA LYS 21 -1.310 -0.630 -11.662 161 HB2 LYS 21 2HB LYS 21 1.140 0.282 -13.181 162 HB3 LYS 21 1HB LYS 21 -0.242 -0.488 -13.952 163 HG2 LYS 21 2HG LYS 21 -1.632 1.392 -13.478 164 HG3 LYS 21 1HG LYS 21 -0.423 2.087 -12.406 165 HD2 LYS 21 2HD LYS 21 0.163 1.623 -15.321 166 HD3 LYS 21 1HD LYS 21 -0.688 3.066 -14.790 167 HE2 LYS 21 2HE LYS 21 1.685 3.546 -15.041 168 HE3 LYS 21 1HE LYS 21 1.231 3.666 -13.352 169 HZ1 LYS 21 3HZ LYS 21 2.617 1.356 -14.605 170 HZ2 LYS 21 1HZ LYS 21 2.317 1.516 -12.946 171 HZ3 LYS 21 2HZ LYS 21 3.376 2.555 -13.744 172 H ASN 22 H ASN 22 -0.264 -2.370 -13.604 173 HA ASN 22 HA ASN 22 0.784 -4.282 -14.096 174 HB2 ASN 22 2HB ASN 22 2.858 -3.290 -13.954 175 HB3 ASN 22 1HB ASN 22 2.737 -3.045 -12.221 176 HD21 ASN 22 1HD2 ASN 22 3.508 -4.568 -10.879 177 HD22 ASN 22 2HD2 ASN 22 4.358 -5.979 -11.362 178 H TYR 23 H TYR 23 -0.335 -3.986 -10.901 179 HA TYR 23 HA TYR 23 -0.013 -6.858 -10.423 180 HB2 TYR 23 2HB TYR 23 -1.084 -4.653 -8.655 181 HB3 TYR 23 1HB TYR 23 -1.130 -6.350 -8.225 182 HD1 TYR 23 1HD TYR 23 1.019 -7.562 -7.799 183 HD2 TYR 23 2HD TYR 23 0.866 -3.351 -8.377 184 HE1 TYR 23 1HE TYR 23 3.224 -7.336 -6.725 185 HE2 TYR 23 2HE TYR 23 3.068 -3.124 -7.326 186 HH TYR 23 HH TYR 23 5.120 -5.656 -6.830 187 H LYS 24 H LYS 24 -1.907 -8.054 -9.732 188 HA LYS 24 HA LYS 24 -4.253 -7.083 -11.106 189 HB2 LYS 24 2HB LYS 24 -3.501 -9.436 -11.549 190 HB3 LYS 24 1HB LYS 24 -3.779 -9.817 -9.864 191 HG2 LYS 24 2HG LYS 24 -5.617 -10.687 -11.149 192 HG3 LYS 24 1HG LYS 24 -6.207 -9.326 -10.206 193 HD2 LYS 24 2HD LYS 24 -5.279 -8.853 -13.015 194 HD3 LYS 24 1HD LYS 24 -6.853 -9.595 -12.748 195 HE2 LYS 24 2HE LYS 24 -7.668 -7.716 -11.627 196 HE3 LYS 24 1HE LYS 24 -6.091 -7.011 -11.377 197 HZ1 LYS 24 3HZ LYS 24 -7.214 -5.845 -13.099 198 HZ2 LYS 24 1HZ LYS 24 -7.558 -7.240 -13.976 199 HZ3 LYS 24 2HZ LYS 24 -5.968 -6.698 -13.823 200 H PHE 25 H PHE 25 -5.128 -5.640 -9.730 201 HA PHE 25 HA PHE 25 -4.939 -5.969 -6.908 202 HB2 PHE 25 2HB PHE 25 -6.396 -3.961 -8.603 203 HB3 PHE 25 1HB PHE 25 -6.298 -3.862 -6.841 204 HD1 PHE 25 1HD PHE 25 -3.970 -3.597 -5.826 205 HD2 PHE 25 2HD PHE 25 -4.750 -3.059 -9.971 206 HE1 PHE 25 1HE PHE 25 -1.875 -2.316 -6.060 207 HE2 PHE 25 2HE PHE 25 -2.663 -1.795 -10.213 208 HZ PHE 25 HZ PHE 25 -1.220 -1.417 -8.254 209 H VAL 26 H VAL 26 -6.431 -6.597 -5.511 210 HA VAL 26 HA VAL 26 -9.013 -7.568 -6.538 211 HB VAL 26 HB VAL 26 -7.265 -8.938 -4.485 212 HG11 VAL 26 1HG1 VAL 26 -9.608 -9.358 -4.099 213 HG12 VAL 26 2HG1 VAL 26 -8.828 -10.825 -4.695 214 HG13 VAL 26 3HG1 VAL 26 -9.828 -9.854 -5.776 215 HG21 VAL 26 3HG2 VAL 26 -6.243 -9.157 -6.676 216 HG22 VAL 26 1HG2 VAL 26 -7.764 -9.745 -7.346 217 HG23 VAL 26 2HG2 VAL 26 -6.900 -10.709 -6.151 218 H ILE 27 H ILE 27 -10.702 -7.109 -5.245 219 HA ILE 27 HA ILE 27 -10.182 -6.138 -2.548 220 HB ILE 27 HB ILE 27 -10.838 -4.235 -4.071 221 HG12 ILE 27 2HG1 ILE 27 -12.654 -3.310 -2.674 222 HG13 ILE 27 1HG1 ILE 27 -12.939 -4.907 -1.995 223 HG21 ILE 27 1HG2 ILE 27 -12.246 -5.483 -5.623 224 HG22 ILE 27 2HG2 ILE 27 -13.096 -4.089 -4.943 225 HG23 ILE 27 3HG2 ILE 27 -13.437 -5.708 -4.337 226 HD11 ILE 27 3HD1 ILE 27 -10.419 -3.290 -1.714 227 HD12 ILE 27 1HD1 ILE 27 -10.694 -4.889 -1.024 228 HD13 ILE 27 2HD1 ILE 27 -11.656 -3.523 -0.479 229 H THR 28 H THR 28 -12.108 -6.533 -1.105 230 HA THR 28 HA THR 28 -13.163 -9.152 -1.723 231 HB THR 28 HB THR 28 -13.570 -9.114 0.766 232 HG1 THR 28 1HG THR 28 -12.349 -7.494 1.860 233 HG21 THR 28 3HG2 THR 28 -11.231 -9.532 1.275 234 HG22 THR 28 1HG2 THR 28 -10.738 -8.689 -0.198 235 HG23 THR 28 2HG2 THR 28 -11.636 -10.201 -0.305 236 H THR 29 H THR 29 -15.333 -9.603 -0.633 237 HA THR 29 HA THR 29 -17.396 -8.047 -1.687 238 HB THR 29 HB THR 29 -18.392 -9.635 0.385 239 HG1 THR 29 1HG THR 29 -16.368 -10.574 0.694 240 HG21 THR 29 3HG2 THR 29 -19.362 -9.446 -1.829 241 HG22 THR 29 1HG2 THR 29 -19.036 -11.140 -1.485 242 HG23 THR 29 2HG2 THR 29 -17.961 -10.226 -2.553 243 H LEU 30 H LEU 30 -16.135 -8.474 1.611 244 HA LEU 30 HA LEU 30 -17.994 -6.616 2.730 245 HB2 LEU 30 2HB LEU 30 -15.387 -7.636 3.887 246 HB3 LEU 30 1HB LEU 30 -16.667 -6.818 4.764 247 HG LEU 30 HG LEU 30 -16.858 -9.556 3.511 248 HD11 LEU 30 1HD1 LEU 30 -16.752 -8.702 6.389 249 HD12 LEU 30 2HD1 LEU 30 -15.475 -9.524 5.497 250 HD13 LEU 30 3HD1 LEU 30 -17.003 -10.349 5.811 251 HD21 LEU 30 3HD2 LEU 30 -19.030 -9.703 4.627 252 HD22 LEU 30 1HD2 LEU 30 -19.010 -8.406 3.432 253 HD23 LEU 30 2HD2 LEU 30 -18.876 -8.028 5.151 254 H GLY 31 H GLY 31 -14.896 -6.488 1.258 255 HA2 GLY 31 2HA GLY 31 -14.028 -3.937 2.036 256 HA3 GLY 31 1HA GLY 31 -13.594 -4.768 0.537 257 H VAL 32 H VAL 32 -15.708 -4.914 -0.972 258 HA VAL 32 HA VAL 32 -16.128 -2.266 -1.795 259 HB VAL 32 HB VAL 32 -17.810 -3.076 -3.404 260 HG11 VAL 32 1HG1 VAL 32 -16.402 -4.634 -4.654 261 HG12 VAL 32 2HG1 VAL 32 -15.411 -4.873 -3.217 262 HG13 VAL 32 3HG1 VAL 32 -15.476 -3.289 -3.988 263 HG21 VAL 32 3HG2 VAL 32 -18.950 -4.745 -2.029 264 HG22 VAL 32 1HG2 VAL 32 -17.512 -5.765 -2.057 265 HG23 VAL 32 2HG2 VAL 32 -18.403 -5.455 -3.548 266 H SER 33 H SER 33 -18.018 -4.307 0.284 267 HA SER 33 HA SER 33 -20.321 -2.697 0.384 268 HB2 SER 33 2HB SER 33 -19.222 -4.618 2.449 269 HB3 SER 33 1HB SER 33 -20.865 -3.974 2.422 270 HG SER 33 HG SER 33 -19.606 -5.734 0.603 271 H PHE 34 H PHE 34 -17.260 -2.595 2.137 272 HA PHE 34 HA PHE 34 -18.006 -0.729 4.110 273 HB2 PHE 34 2HB PHE 34 -15.965 -2.120 4.266 274 HB3 PHE 34 1HB PHE 34 -15.278 -1.264 2.895 275 HD1 PHE 34 1HD PHE 34 -16.361 -0.903 6.408 276 HD2 PHE 34 2HD PHE 34 -14.137 0.788 3.200 277 HE1 PHE 34 1HE PHE 34 -15.356 0.717 7.962 278 HE2 PHE 34 2HE PHE 34 -13.129 2.412 4.745 279 HZ PHE 34 HZ PHE 34 -13.739 2.379 7.132 280 H ALA 35 H ALA 35 -16.710 -0.428 0.869 281 HA ALA 35 HA ALA 35 -16.399 2.388 0.895 282 HB1 ALA 35 1HB ALA 35 -16.274 2.224 -1.544 283 HB2 ALA 35 2HB ALA 35 -16.816 0.545 -1.459 284 HB3 ALA 35 3HB ALA 35 -15.263 1.010 -0.766 285 H ILE 36 H ILE 36 -18.995 0.255 -0.132 286 HA ILE 36 HA ILE 36 -20.714 2.227 -1.149 287 HB ILE 36 HB ILE 36 -21.378 -0.487 0.027 288 HG12 ILE 36 2HG1 ILE 36 -19.947 -0.646 -1.938 289 HG13 ILE 36 1HG1 ILE 36 -21.560 -1.222 -2.326 290 HG21 ILE 36 1HG2 ILE 36 -23.532 -0.350 -1.149 291 HG22 ILE 36 2HG2 ILE 36 -23.167 1.313 -1.600 292 HG23 ILE 36 3HG2 ILE 36 -23.372 0.887 0.097 293 HD11 ILE 36 3HD1 ILE 36 -20.378 1.452 -3.077 294 HD12 ILE 36 1HD1 ILE 36 -22.029 0.934 -3.426 295 HD13 ILE 36 2HD1 ILE 36 -20.666 0.082 -4.147 296 H LYS 37 H LYS 37 -20.565 0.787 2.110 297 HA LYS 37 HA LYS 37 -22.748 2.306 3.065 298 HB2 LYS 37 2HB LYS 37 -22.076 1.621 5.345 299 HB3 LYS 37 1HB LYS 37 -22.171 0.272 4.221 300 HG2 LYS 37 2HG LYS 37 -19.779 0.217 4.047 301 HG3 LYS 37 1HG LYS 37 -19.634 1.639 5.070 302 HD2 LYS 37 2HD LYS 37 -19.107 -0.373 6.354 303 HD3 LYS 37 1HD LYS 37 -20.577 0.364 6.963 304 HE2 LYS 37 2HE LYS 37 -20.672 -1.905 4.980 305 HE3 LYS 37 1HE LYS 37 -20.475 -2.212 6.702 306 HZ1 LYS 37 3HZ LYS 37 -22.805 -0.827 5.431 307 HZ2 LYS 37 1HZ LYS 37 -22.574 -1.048 7.083 308 HZ3 LYS 37 2HZ LYS 37 -22.783 -2.365 6.074 309 H SER 38 H SER 38 -19.273 2.972 3.134 310 HA SER 38 HA SER 38 -19.705 5.286 4.772 311 HB2 SER 38 2HB SER 38 -17.624 3.898 4.886 312 HB3 SER 38 1HB SER 38 -17.202 4.456 3.274 313 HG SER 38 HG SER 38 -17.504 5.961 5.631 314 H GLY 39 H GLY 39 -19.506 4.604 1.352 315 HA2 GLY 39 2HA GLY 39 -20.342 6.078 -0.298 316 HA3 GLY 39 1HA GLY 39 -20.109 7.417 0.823 317 H ILE 40 H ILE 40 -17.856 4.903 -0.104 318 HA ILE 40 HA ILE 40 -15.947 6.980 -0.911 319 HB ILE 40 HB ILE 40 -15.430 4.059 -0.189 320 HG12 ILE 40 2HG1 ILE 40 -14.895 6.560 1.420 321 HG13 ILE 40 1HG1 ILE 40 -16.223 5.445 1.717 322 HG21 ILE 40 1HG2 ILE 40 -13.737 4.955 -1.713 323 HG22 ILE 40 2HG2 ILE 40 -13.053 4.722 -0.105 324 HG23 ILE 40 3HG2 ILE 40 -13.494 6.338 -0.649 325 HD11 ILE 40 3HD1 ILE 40 -14.396 5.095 3.280 326 HD12 ILE 40 1HD1 ILE 40 -13.282 4.823 1.940 327 HD13 ILE 40 2HD1 ILE 40 -14.598 3.685 2.242 328 H ASP 41 H ASP 41 -14.754 6.629 -2.889 329 HA ASP 41 HA ASP 41 -16.451 5.524 -4.890 330 HB2 ASP 41 2HB ASP 41 -14.900 6.548 -6.528 331 HB3 ASP 41 1HB ASP 41 -15.472 7.703 -5.344 332 H ILE 42 H ILE 42 -16.444 3.441 -4.744 333 HA ILE 42 HA ILE 42 -13.952 1.940 -4.858 334 HB ILE 42 HB ILE 42 -15.776 1.136 -3.376 335 HG12 ILE 42 2HG1 ILE 42 -15.858 -1.244 -4.112 336 HG13 ILE 42 1HG1 ILE 42 -15.149 -0.763 -5.648 337 HG21 ILE 42 1HG2 ILE 42 -17.805 0.094 -4.305 338 HG22 ILE 42 2HG2 ILE 42 -17.358 0.706 -5.899 339 HG23 ILE 42 3HG2 ILE 42 -17.722 1.831 -4.591 340 HD11 ILE 42 3HD1 ILE 42 -13.480 -1.705 -4.149 341 HD12 ILE 42 1HD1 ILE 42 -13.861 -0.486 -2.936 342 HD13 ILE 42 2HD1 ILE 42 -13.135 -0.009 -4.471 343 H ASP 43 H ASP 43 -16.306 3.250 -6.856 344 HA ASP 43 HA ASP 43 -16.193 1.466 -9.028 345 HB2 ASP 43 2HB ASP 43 -17.262 3.179 -10.371 346 HB3 ASP 43 1HB ASP 43 -18.019 3.130 -8.789 347 H SER 44 H SER 44 -14.203 4.206 -8.099 348 HA SER 44 HA SER 44 -12.678 4.460 -10.431 349 HB2 SER 44 2HB SER 44 -11.771 4.822 -7.568 350 HB3 SER 44 1HB SER 44 -10.986 5.484 -9.002 351 HG SER 44 HG SER 44 -12.729 6.623 -7.570 352 H ALA 45 H ALA 45 -12.589 2.106 -7.879 353 HA ALA 45 HA ALA 45 -10.000 1.129 -8.543 354 HB1 ALA 45 1HB ALA 45 -10.822 0.957 -6.255 355 HB2 ALA 45 2HB ALA 45 -10.540 -0.665 -6.900 356 HB3 ALA 45 3HB ALA 45 -12.177 -0.029 -6.798 357 H LEU 46 H LEU 46 -13.315 -0.005 -8.902 358 HA LEU 46 HA LEU 46 -12.816 -2.346 -10.375 359 HB2 LEU 46 2HB LEU 46 -15.197 -0.502 -10.450 360 HB3 LEU 46 1HB LEU 46 -15.175 -2.140 -11.063 361 HG LEU 46 HG LEU 46 -14.819 -1.347 -8.163 362 HD11 LEU 46 1HD1 LEU 46 -17.161 -2.612 -9.556 363 HD12 LEU 46 2HD1 LEU 46 -17.086 -0.959 -8.944 364 HD13 LEU 46 3HD1 LEU 46 -17.017 -2.322 -7.824 365 HD21 LEU 46 3HD2 LEU 46 -15.062 -4.072 -9.442 366 HD22 LEU 46 1HD2 LEU 46 -15.047 -3.746 -7.710 367 HD23 LEU 46 2HD2 LEU 46 -13.622 -3.399 -8.683 368 H ASP 47 H ASP 47 -13.369 0.949 -11.314 369 HA ASP 47 HA ASP 47 -13.428 0.823 -14.073 370 HB2 ASP 47 2HB ASP 47 -13.921 2.847 -12.825 371 HB3 ASP 47 1HB ASP 47 -12.258 2.941 -12.274 372 H ARG 48 H ARG 48 -10.597 0.857 -11.902 373 HA ARG 48 HA ARG 48 -8.930 0.966 -14.235 374 HB2 ARG 48 2HB ARG 48 -8.180 0.996 -11.349 375 HB3 ARG 48 1HB ARG 48 -7.042 1.196 -12.684 376 HG2 ARG 48 2HG ARG 48 -8.388 3.142 -13.473 377 HG3 ARG 48 1HG ARG 48 -9.361 2.963 -12.012 378 HD2 ARG 48 2HD ARG 48 -7.482 3.408 -10.652 379 HD3 ARG 48 1HD ARG 48 -6.413 3.516 -12.045 380 HE ARG 48 HE ARG 48 -8.653 5.275 -12.201 381 HH11 ARG 48 1HH1 ARG 48 -5.398 5.006 -10.851 382 HH12 ARG 48 2HH1 ARG 48 -5.148 6.688 -10.746 383 HH21 ARG 48 1HH2 ARG 48 -8.308 7.576 -12.050 384 HH22 ARG 48 2HH2 ARG 48 -6.855 8.200 -11.449 385 H GLY 49 H GLY 49 -10.229 -1.385 -12.225 386 HA2 GLY 49 2HA GLY 49 -10.197 -3.519 -13.508 387 HA3 GLY 49 1HA GLY 49 -8.462 -3.327 -13.570 388 H VAL 50 H VAL 50 -9.923 -2.466 -10.578 389 HA VAL 50 HA VAL 50 -8.658 -4.666 -9.258 390 HB VAL 50 HB VAL 50 -10.687 -2.670 -8.177 391 HG11 VAL 50 1HG1 VAL 50 -10.526 -4.676 -6.789 392 HG12 VAL 50 2HG1 VAL 50 -9.844 -3.271 -5.970 393 HG13 VAL 50 3HG1 VAL 50 -8.776 -4.474 -6.695 394 HG21 VAL 50 3HG2 VAL 50 -8.688 -1.582 -9.019 395 HG22 VAL 50 1HG2 VAL 50 -7.678 -2.633 -8.035 396 HG23 VAL 50 2HG2 VAL 50 -8.752 -1.488 -7.255 397 H ILE 51 H ILE 51 -9.491 -6.627 -8.949 398 HA ILE 51 HA ILE 51 -12.259 -7.037 -9.763 399 HB ILE 51 HB ILE 51 -11.753 -9.466 -9.771 400 HG12 ILE 51 2HG1 ILE 51 -8.902 -8.592 -9.235 401 HG13 ILE 51 1HG1 ILE 51 -9.935 -9.458 -8.105 402 HG21 ILE 51 1HG2 ILE 51 -10.349 -9.453 -11.778 403 HG22 ILE 51 2HG2 ILE 51 -9.940 -7.766 -11.449 404 HG23 ILE 51 3HG2 ILE 51 -11.603 -8.211 -11.820 405 HD11 ILE 51 3HD1 ILE 51 -9.977 -11.378 -9.604 406 HD12 ILE 51 1HD1 ILE 51 -8.322 -10.942 -9.178 407 HD13 ILE 51 2HD1 ILE 51 -8.970 -10.505 -10.760 408 H VAL 52 H VAL 52 -13.694 -8.235 -8.543 409 HA VAL 52 HA VAL 52 -13.167 -8.014 -5.672 410 HB VAL 52 HB VAL 52 -15.823 -8.582 -6.997 411 HG11 VAL 52 1HG1 VAL 52 -15.730 -9.238 -4.688 412 HG12 VAL 52 2HG1 VAL 52 -16.744 -7.794 -4.835 413 HG13 VAL 52 3HG1 VAL 52 -15.095 -7.664 -4.230 414 HG21 VAL 52 3HG2 VAL 52 -16.395 -6.215 -6.663 415 HG22 VAL 52 1HG2 VAL 52 -15.050 -6.407 -7.785 416 HG23 VAL 52 2HG2 VAL 52 -14.747 -5.895 -6.125 417 H ARG 53 H ARG 53 -12.614 -9.852 -4.679 418 HA ARG 53 HA ARG 53 -13.683 -12.327 -5.843 419 HB2 ARG 53 2HB ARG 53 -11.187 -12.259 -5.994 420 HB3 ARG 53 1HB ARG 53 -11.121 -12.162 -4.233 421 HG2 ARG 53 2HG ARG 53 -12.443 -14.301 -4.155 422 HG3 ARG 53 1HG ARG 53 -12.223 -14.424 -5.889 423 HD2 ARG 53 2HD ARG 53 -9.768 -14.453 -5.520 424 HD3 ARG 53 1HD ARG 53 -10.070 -14.448 -3.777 425 HE ARG 53 HE ARG 53 -10.903 -16.567 -5.638 426 HH11 ARG 53 1HH1 ARG 53 -9.999 -15.644 -2.298 427 HH12 ARG 53 2HH1 ARG 53 -10.021 -17.283 -1.763 428 HH21 ARG 53 1HH2 ARG 53 -10.914 -18.748 -4.781 429 HH22 ARG 53 2HH2 ARG 53 -10.576 -19.012 -3.141 430 H ALA 54 H ALA 54 -14.997 -13.372 -4.632 431 HA ALA 54 HA ALA 54 -14.940 -12.908 -1.746 432 HB1 ALA 54 1HB ALA 54 -17.262 -13.613 -3.539 433 HB2 ALA 54 2HB ALA 54 -16.959 -12.039 -2.802 434 HB3 ALA 54 3HB ALA 54 -17.333 -13.431 -1.786 435 H PHE 55 H PHE 55 -14.606 -14.723 -0.560 436 HA PHE 55 HA PHE 55 -14.612 -17.208 -2.032 437 HB2 PHE 55 2HB PHE 55 -13.817 -18.224 0.194 438 HB3 PHE 55 1HB PHE 55 -12.701 -17.156 -0.628 439 HD1 PHE 55 2HD PHE 55 -15.293 -17.133 2.075 440 HD2 PHE 55 1HD PHE 55 -11.671 -15.500 0.561 441 HE1 PHE 55 2HE PHE 55 -15.016 -15.828 4.146 442 HE2 PHE 55 1HE PHE 55 -11.375 -14.212 2.590 443 HZ PHE 55 HZ PHE 55 -13.055 -14.358 4.415 444 H SER 56 H SER 56 -15.788 -19.083 -1.098 445 HA SER 56 HA SER 56 -18.468 -18.229 -0.730 446 HB2 SER 56 2HB SER 56 -17.740 -20.379 -1.890 447 HB3 SER 56 1HB SER 56 -17.390 -21.029 -0.288 448 HG SER 56 HG SER 56 -19.903 -19.928 -0.907 449 H HIS 57 H HIS 57 -16.215 -20.028 1.343 450 HA HIS 57 HA HIS 57 -16.653 -18.459 3.596 451 HB2 HIS 57 2HB HIS 57 -18.218 -21.029 3.524 452 HB3 HIS 57 1HB HIS 57 -17.467 -20.556 5.043 453 HD1 HIS 57 1HD HIS 57 -20.645 -20.380 3.594 454 HD2 HIS 57 2HD HIS 57 -18.213 -17.547 5.409 455 HE1 HIS 57 1HE HIS 57 -22.151 -18.493 4.217 456 HE2 HIS 57 2HE HIS 57 -20.539 -16.692 4.837 457 H LYS 58 H LYS 58 -14.841 -18.416 4.567 458 HA LYS 58 HA LYS 58 -13.153 -20.795 4.731 459 HB2 LYS 58 2HB LYS 58 -12.321 -19.247 2.942 460 HB3 LYS 58 1HB LYS 58 -12.308 -17.940 4.117 461 HG2 LYS 58 2HG LYS 58 -10.653 -19.262 5.442 462 HG3 LYS 58 1HG LYS 58 -10.576 -20.396 4.094 463 HD2 LYS 58 2HD LYS 58 -9.934 -18.498 2.616 464 HD3 LYS 58 1HD LYS 58 -9.883 -17.465 4.046 465 HE2 LYS 58 2HE LYS 58 -7.646 -18.192 3.546 466 HE3 LYS 58 1HE LYS 58 -8.186 -18.992 5.022 467 HZ1 LYS 58 3HZ LYS 58 -7.065 -20.527 3.520 468 HZ2 LYS 58 1HZ LYS 58 -8.174 -20.171 2.307 469 HZ3 LYS 58 2HZ LYS 58 -8.679 -20.978 3.707 470 HA PRO 59 HA PRO 59 -13.694 -19.249 8.936 471 HB2 PRO 59 2HB PRO 59 -11.286 -20.824 9.621 472 HB3 PRO 59 1HB PRO 59 -12.922 -20.943 10.275 473 HG2 PRO 59 2HG PRO 59 -11.941 -22.827 8.641 474 HG3 PRO 59 1HG PRO 59 -13.645 -22.338 8.585 475 HD2 PRO 59 2HD PRO 59 -11.396 -21.577 6.760 476 HD3 PRO 59 1HD PRO 59 -13.081 -21.995 6.374 477 HA PRO 60 HA PRO 60 -10.244 -16.300 8.793 478 HB2 PRO 60 2HB PRO 60 -11.797 -14.352 10.109 479 HB3 PRO 60 1HB PRO 60 -11.547 -14.487 8.370 480 HG2 PRO 60 2HG PRO 60 -13.976 -14.856 9.720 481 HG3 PRO 60 1HG PRO 60 -13.632 -15.328 8.051 482 HD2 PRO 60 2HD PRO 60 -13.645 -16.980 10.529 483 HD3 PRO 60 1HD PRO 60 -14.102 -17.405 8.860 484 H LYS 61 H LYS 61 -8.676 -16.136 10.314 485 HA LYS 61 HA LYS 61 -9.543 -16.353 13.120 486 HB2 LYS 61 2HB LYS 61 -6.841 -17.026 11.949 487 HB3 LYS 61 1HB LYS 61 -7.319 -17.229 13.628 488 HG2 LYS 61 2HG LYS 61 -8.940 -18.932 12.964 489 HG3 LYS 61 1HG LYS 61 -8.489 -18.706 11.275 490 HD2 LYS 61 2HD LYS 61 -6.715 -19.728 13.498 491 HD3 LYS 61 1HD LYS 61 -7.369 -20.666 12.157 492 HE2 LYS 61 2HE LYS 61 -6.104 -19.125 10.602 493 HE3 LYS 61 1HE LYS 61 -5.337 -18.444 12.029 494 HZ1 LYS 61 3HZ LYS 61 -4.496 -20.692 12.558 495 HZ2 LYS 61 1HZ LYS 61 -3.941 -20.102 11.079 496 HZ3 LYS 61 2HZ LYS 61 -5.151 -21.237 11.090 497 H VAL 62 H VAL 62 -9.632 -14.375 13.877 498 HA VAL 62 HA VAL 62 -7.316 -12.711 14.008 499 HB VAL 62 HB VAL 62 -8.614 -10.623 13.331 500 HG11 VAL 62 1HG1 VAL 62 -8.086 -12.560 11.082 501 HG12 VAL 62 2HG1 VAL 62 -6.917 -11.466 11.817 502 HG13 VAL 62 3HG1 VAL 62 -8.282 -10.817 10.908 503 HG21 VAL 62 3HG2 VAL 62 -10.856 -11.513 13.402 504 HG22 VAL 62 1HG2 VAL 62 -10.503 -12.606 12.062 505 HG23 VAL 62 2HG2 VAL 62 -10.519 -10.861 11.800 506 H GLY 63 H GLY 63 -7.471 -11.379 15.822 507 HA2 GLY 63 2HA GLY 63 -9.874 -11.927 17.435 508 HA3 GLY 63 1HA GLY 63 -8.267 -11.718 18.116 509 H ASN 64 H ASN 64 -7.549 -9.528 16.499 510 HA ASN 64 HA ASN 64 -8.961 -7.419 17.948 511 HB2 ASN 64 2HB ASN 64 -6.517 -7.469 18.062 512 HB3 ASN 64 1HB ASN 64 -6.423 -7.375 16.309 513 HD21 ASN 64 1HD2 ASN 64 -5.325 -5.500 16.162 514 HD22 ASN 64 2HD2 ASN 64 -5.929 -3.972 16.700 515 H LEU 65 H LEU 65 -8.357 -8.544 14.731 516 HA LEU 65 HA LEU 65 -9.213 -6.073 13.538 517 HB2 LEU 65 2HB LEU 65 -8.330 -8.654 12.276 518 HB3 LEU 65 1HB LEU 65 -8.665 -7.170 11.410 519 HG LEU 65 HG LEU 65 -6.495 -7.517 13.474 520 HD11 LEU 65 1HD1 LEU 65 -6.320 -7.268 10.486 521 HD12 LEU 65 2HD1 LEU 65 -6.046 -8.733 11.428 522 HD13 LEU 65 3HD1 LEU 65 -4.967 -7.351 11.616 523 HD21 LEU 65 3HD2 LEU 65 -7.305 -5.242 13.472 524 HD22 LEU 65 1HD2 LEU 65 -7.204 -5.179 11.709 525 HD23 LEU 65 2HD2 LEU 65 -5.736 -5.315 12.676 526 HA PRO 66 HA PRO 66 -13.378 -7.307 12.822 527 HB2 PRO 66 2HB PRO 66 -14.067 -5.373 11.063 528 HB3 PRO 66 1HB PRO 66 -13.812 -5.032 12.776 529 HG2 PRO 66 2HG PRO 66 -12.034 -4.546 10.447 530 HG3 PRO 66 1HG PRO 66 -12.297 -3.545 11.881 531 HD2 PRO 66 2HD PRO 66 -10.131 -5.215 11.513 532 HD3 PRO 66 1HD PRO 66 -10.729 -4.667 13.091 533 H GLN 67 H GLN 67 -14.795 -7.996 11.096 534 HA GLN 67 HA GLN 67 -13.634 -9.868 9.484 535 HB2 GLN 67 2HB GLN 67 -16.380 -8.763 9.598 536 HB3 GLN 67 1HB GLN 67 -15.940 -9.869 8.304 537 HG2 GLN 67 2HG GLN 67 -15.607 -10.439 11.231 538 HG3 GLN 67 1HG GLN 67 -16.957 -11.003 10.245 539 HE21 GLN 67 1HE2 GLN 67 -16.543 -12.502 8.625 540 HE22 GLN 67 2HE2 GLN 67 -15.164 -13.524 8.618 541 H TYR 68 H TYR 68 -14.642 -6.619 8.452 542 HA TYR 68 HA TYR 68 -14.169 -7.319 5.789 543 HB2 TYR 68 2HB TYR 68 -14.034 -4.755 5.312 544 HB3 TYR 68 1HB TYR 68 -15.540 -5.489 5.784 545 HD1 TYR 68 1HD TYR 68 -12.612 -3.875 7.508 546 HD2 TYR 68 2HD TYR 68 -16.825 -4.313 7.194 547 HE1 TYR 68 1HE TYR 68 -12.923 -2.165 9.257 548 HE2 TYR 68 2HE TYR 68 -17.148 -2.631 8.929 549 HH TYR 68 HH TYR 68 -15.983 -1.648 10.730 550 H GLU 69 H GLU 69 -11.878 -6.046 8.100 551 HA GLU 69 HA GLU 69 -9.796 -5.813 6.123 552 HB2 GLU 69 2HB GLU 69 -9.454 -6.253 9.102 553 HB3 GLU 69 1HB GLU 69 -8.252 -5.637 7.990 554 HG2 GLU 69 2HG GLU 69 -10.753 -4.245 8.907 555 HG3 GLU 69 1HG GLU 69 -9.102 -3.868 9.381 556 H SER 70 H SER 70 -10.973 -8.206 8.373 557 HA SER 70 HA SER 70 -9.001 -10.150 8.218 558 HB2 SER 70 2HB SER 70 -10.856 -10.089 9.872 559 HB3 SER 70 1HB SER 70 -11.971 -10.516 8.580 560 HG SER 70 HG SER 70 -11.474 -12.336 9.634 561 H GLU 71 H GLU 71 -11.972 -9.795 6.258 562 HA GLU 71 HA GLU 71 -11.607 -12.075 4.639 563 HB2 GLU 71 2HB GLU 71 -13.737 -10.809 4.851 564 HB3 GLU 71 1HB GLU 71 -13.019 -9.490 3.937 565 HG2 GLU 71 2HG GLU 71 -12.807 -10.910 1.993 566 HG3 GLU 71 1HG GLU 71 -13.401 -12.289 2.908 567 H ALA 72 H ALA 72 -10.434 -8.765 4.315 568 HA ALA 72 HA ALA 72 -9.302 -9.046 1.735 569 HB1 ALA 72 1HB ALA 72 -8.410 -7.258 4.003 570 HB2 ALA 72 2HB ALA 72 -9.646 -6.857 2.811 571 HB3 ALA 72 3HB ALA 72 -7.969 -7.074 2.306 572 H ILE 73 H ILE 73 -7.866 -9.352 4.953 573 HA ILE 73 HA ILE 73 -5.330 -10.243 4.192 574 HB ILE 73 HB ILE 73 -6.889 -11.041 6.674 575 HG12 ILE 73 2HG1 ILE 73 -4.870 -8.824 6.269 576 HG13 ILE 73 1HG1 ILE 73 -6.608 -8.599 6.437 577 HG21 ILE 73 1HG2 ILE 73 -5.019 -12.549 6.281 578 HG22 ILE 73 2HG2 ILE 73 -4.699 -11.512 7.675 579 HG23 ILE 73 3HG2 ILE 73 -3.925 -11.171 6.128 580 HD11 ILE 73 3HD1 ILE 73 -5.448 -8.106 8.521 581 HD12 ILE 73 1HD1 ILE 73 -4.765 -9.730 8.530 582 HD13 ILE 73 2HD1 ILE 73 -6.503 -9.504 8.700 583 H MET 74 H MET 74 -8.273 -12.106 4.864 584 HA MET 74 HA MET 74 -7.150 -14.658 4.499 585 HB2 MET 74 2HB MET 74 -9.988 -13.735 4.181 586 HB3 MET 74 1HB MET 74 -9.504 -15.413 4.067 587 HG2 MET 74 2HG MET 74 -9.134 -13.683 6.513 588 HG3 MET 74 1HG MET 74 -10.519 -14.722 6.230 589 HE1 MET 74 3HE MET 74 -6.882 -14.391 7.421 590 HE2 MET 74 1HE MET 74 -6.384 -15.324 6.013 591 HE3 MET 74 2HE MET 74 -6.300 -16.036 7.616 592 H VAL 75 H VAL 75 -8.760 -12.570 2.139 593 HA VAL 75 HA VAL 75 -8.473 -14.454 0.058 594 HB VAL 75 HB VAL 75 -8.906 -11.446 -0.075 595 HG11 VAL 75 1HG1 VAL 75 -7.789 -12.137 -2.143 596 HG12 VAL 75 2HG1 VAL 75 -9.486 -11.770 -2.463 597 HG13 VAL 75 3HG1 VAL 75 -8.947 -13.448 -2.344 598 HG21 VAL 75 3HG2 VAL 75 -10.724 -13.810 -0.533 599 HG22 VAL 75 1HG2 VAL 75 -11.179 -12.128 -0.780 600 HG23 VAL 75 2HG2 VAL 75 -10.766 -12.700 0.832 601 H ALA 76 H ALA 76 -6.350 -11.929 1.239 602 HA ALA 76 HA ALA 76 -4.413 -12.195 -0.806 603 HB1 ALA 76 1HB ALA 76 -4.050 -11.254 2.037 604 HB2 ALA 76 2HB ALA 76 -4.524 -10.254 0.662 605 HB3 ALA 76 3HB ALA 76 -2.924 -10.990 0.700 606 H PHE 77 H PHE 77 -4.974 -13.832 2.208 607 HA PHE 77 HA PHE 77 -2.597 -15.378 2.271 608 HB2 PHE 77 2HB PHE 77 -4.078 -14.990 4.235 609 HB3 PHE 77 1HB PHE 77 -5.322 -15.962 3.467 610 HD1 PHE 77 2HD PHE 77 -2.088 -16.004 5.146 611 HD2 PHE 77 1HD PHE 77 -5.178 -18.362 3.450 612 HE1 PHE 77 2HE PHE 77 -1.153 -18.004 6.234 613 HE2 PHE 77 1HE PHE 77 -4.254 -20.365 4.534 614 HZ PHE 77 HZ PHE 77 -2.237 -20.185 5.926 615 H GLU 78 H GLU 78 -5.876 -15.988 1.150 616 HA GLU 78 HA GLU 78 -5.876 -18.549 0.200 617 HB2 GLU 78 2HB GLU 78 -7.134 -16.012 -0.758 618 HB3 GLU 78 1HB GLU 78 -7.411 -17.498 -1.628 619 HG2 GLU 78 2HG GLU 78 -7.907 -17.388 1.287 620 HG3 GLU 78 1HG GLU 78 -9.081 -16.688 0.166 621 H LEU 79 H LEU 79 -5.052 -15.657 -1.627 622 HA LEU 79 HA LEU 79 -4.268 -17.211 -3.936 623 HB2 LEU 79 2HB LEU 79 -4.273 -14.239 -3.477 624 HB3 LEU 79 1HB LEU 79 -4.081 -15.048 -5.018 625 HG LEU 79 HG LEU 79 -6.572 -15.138 -3.311 626 HD11 LEU 79 1HD1 LEU 79 -6.213 -12.924 -4.244 627 HD12 LEU 79 2HD1 LEU 79 -7.567 -13.729 -5.034 628 HD13 LEU 79 3HD1 LEU 79 -6.012 -13.618 -5.851 629 HD21 LEU 79 3HD2 LEU 79 -6.000 -16.185 -6.073 630 HD22 LEU 79 1HD2 LEU 79 -7.595 -16.149 -5.306 631 HD23 LEU 79 2HD2 LEU 79 -6.314 -17.141 -4.614 632 H ASN 80 H ASN 80 -2.739 -15.909 -1.222 633 HA ASN 80 HA ASN 80 -0.712 -15.279 -0.587 634 HB2 ASN 80 2HB ASN 80 -0.052 -17.620 -1.350 635 HB3 ASN 80 1HB ASN 80 0.434 -16.913 -2.889 636 HD21 ASN 80 1HD2 ASN 80 1.201 -17.252 0.464 637 HD22 ASN 80 2HD2 ASN 80 2.776 -16.558 0.394 638 H ALA 81 H ALA 81 -1.511 -13.378 -1.223 639 HA ALA 81 HA ALA 81 -0.418 -12.237 -3.691 640 HB1 ALA 81 1HB ALA 81 -2.319 -10.753 -3.661 641 HB2 ALA 81 2HB ALA 81 -2.853 -11.436 -2.129 642 HB3 ALA 81 3HB ALA 81 -2.855 -12.434 -3.583 643 H LEU 82 H LEU 82 -0.476 -9.761 -3.457 644 HA LEU 82 HA LEU 82 1.255 -8.993 -1.249 645 HB2 LEU 82 2HB LEU 82 1.565 -8.484 -3.789 646 HB3 LEU 82 1HB LEU 82 0.235 -7.376 -3.608 647 HG LEU 82 HG LEU 82 2.368 -6.224 -3.672 648 HD11 LEU 82 1HD1 LEU 82 0.645 -5.145 -2.411 649 HD12 LEU 82 2HD1 LEU 82 2.225 -4.869 -1.666 650 HD13 LEU 82 3HD1 LEU 82 1.111 -6.038 -0.961 651 HD21 LEU 82 3HD2 LEU 82 3.779 -7.960 -2.805 652 HD22 LEU 82 1HD2 LEU 82 3.074 -7.788 -1.198 653 HD23 LEU 82 2HD2 LEU 82 4.018 -6.470 -1.895 654 H LEU 83 H LEU 83 0.319 -7.787 0.461 655 HA LEU 83 HA LEU 83 -2.495 -7.094 0.029 656 HB2 LEU 83 2HB LEU 83 -2.114 -8.777 1.795 657 HB3 LEU 83 1HB LEU 83 -1.101 -7.640 2.657 658 HG LEU 83 HG LEU 83 -3.098 -6.135 2.867 659 HD11 LEU 83 1HD1 LEU 83 -4.428 -6.997 1.029 660 HD12 LEU 83 2HD1 LEU 83 -5.308 -7.093 2.553 661 HD13 LEU 83 3HD1 LEU 83 -4.590 -8.543 1.867 662 HD21 LEU 83 3HD2 LEU 83 -2.405 -7.523 4.718 663 HD22 LEU 83 1HD2 LEU 83 -3.320 -8.885 4.068 664 HD23 LEU 83 2HD2 LEU 83 -4.164 -7.443 4.638 665 H ILE 84 H ILE 84 -3.000 -5.077 -0.037 666 HA ILE 84 HA ILE 84 -1.034 -3.083 0.814 667 HB ILE 84 HB ILE 84 -3.574 -2.684 -0.815 668 HG12 ILE 84 2HG1 ILE 84 -0.707 -2.950 -1.782 669 HG13 ILE 84 1HG1 ILE 84 -1.960 -4.164 -1.965 670 HG21 ILE 84 1HG2 ILE 84 -1.178 -0.894 -0.371 671 HG22 ILE 84 2HG2 ILE 84 -2.779 -0.663 0.331 672 HG23 ILE 84 3HG2 ILE 84 -2.550 -0.528 -1.413 673 HD11 ILE 84 3HD1 ILE 84 -1.597 -2.919 -4.014 674 HD12 ILE 84 1HD1 ILE 84 -2.001 -1.417 -3.187 675 HD13 ILE 84 2HD1 ILE 84 -3.230 -2.664 -3.394 676 H ALA 85 H ALA 85 -1.313 -2.431 2.848 677 HA ALA 85 HA ALA 85 -4.034 -2.015 3.817 678 HB1 ALA 85 1HB ALA 85 -1.938 -3.597 5.290 679 HB2 ALA 85 2HB ALA 85 -3.389 -4.255 4.532 680 HB3 ALA 85 3HB ALA 85 -3.531 -3.160 5.905 681 H GLU 86 H GLU 86 -4.230 -0.325 5.130 682 HA GLU 86 HA GLU 86 -1.850 1.272 5.578 683 HB2 GLU 86 2HB GLU 86 -4.770 1.912 5.652 684 HB3 GLU 86 1HB GLU 86 -3.566 3.027 6.281 685 HG2 GLU 86 2HG GLU 86 -3.533 1.933 3.489 686 HG3 GLU 86 1HG GLU 86 -4.306 3.453 3.936 687 H ASP 87 H ASP 87 -4.197 -0.541 7.348 688 HA ASP 87 HA ASP 87 -3.683 0.744 9.841 689 HB2 ASP 87 2HB ASP 87 -5.839 -0.335 9.465 690 HB3 ASP 87 1HB ASP 87 -5.035 -1.889 9.265 691 H LYS 88 H LYS 88 -2.274 0.311 11.310 692 HA LYS 88 HA LYS 88 0.128 -0.911 10.777 693 HB2 LYS 88 2HB LYS 88 -0.225 0.870 12.358 694 HB3 LYS 88 1HB LYS 88 -1.172 -0.188 13.386 695 HG2 LYS 88 2HG LYS 88 0.819 -1.534 13.847 696 HG3 LYS 88 1HG LYS 88 1.764 -0.491 12.782 697 HD2 LYS 88 2HD LYS 88 0.318 0.429 15.262 698 HD3 LYS 88 1HD LYS 88 2.047 0.081 15.182 699 HE2 LYS 88 2HE LYS 88 2.302 1.840 13.488 700 HE3 LYS 88 1HE LYS 88 0.580 2.197 13.580 701 HZ1 LYS 88 3HZ LYS 88 2.568 2.541 15.749 702 HZ2 LYS 88 1HZ LYS 88 0.909 2.805 15.912 703 HZ3 LYS 88 2HZ LYS 88 1.818 3.755 14.866 704 H ASP 89 H ASP 89 -2.688 -2.206 12.529 705 HA ASP 89 HA ASP 89 -1.183 -4.519 13.378 706 HB2 ASP 89 2HB ASP 89 -2.931 -3.439 14.845 707 HB3 ASP 89 1HB ASP 89 -4.133 -4.031 13.700 708 H VAL 90 H VAL 90 -3.628 -3.678 11.030 709 HA VAL 90 HA VAL 90 -4.165 -6.259 10.051 710 HB VAL 90 HB VAL 90 -4.042 -3.652 8.464 711 HG11 VAL 90 1HG1 VAL 90 -3.830 -5.602 6.967 712 HG12 VAL 90 2HG1 VAL 90 -5.374 -4.779 6.753 713 HG13 VAL 90 3HG1 VAL 90 -5.302 -6.285 7.660 714 HG21 VAL 90 3HG2 VAL 90 -6.380 -5.172 9.603 715 HG22 VAL 90 1HG2 VAL 90 -6.476 -3.685 8.660 716 HG23 VAL 90 2HG2 VAL 90 -5.712 -3.678 10.252 717 H ILE 91 H ILE 91 -1.599 -4.003 9.161 718 HA ILE 91 HA ILE 91 -0.289 -5.580 7.274 719 HB ILE 91 HB ILE 91 0.893 -3.565 9.206 720 HG12 ILE 91 2HG1 ILE 91 0.119 -3.243 6.298 721 HG13 ILE 91 1HG1 ILE 91 -0.871 -2.715 7.655 722 HG21 ILE 91 1HG2 ILE 91 2.648 -5.031 8.343 723 HG22 ILE 91 2HG2 ILE 91 2.794 -3.419 7.642 724 HG23 ILE 91 3HG2 ILE 91 2.107 -4.738 6.696 725 HD11 ILE 91 3HD1 ILE 91 0.354 -0.871 6.667 726 HD12 ILE 91 1HD1 ILE 91 1.879 -1.711 6.963 727 HD13 ILE 91 2HD1 ILE 91 0.889 -1.172 8.322 728 H ASN 92 H ASN 92 0.292 -5.348 10.789 729 HA ASN 92 HA ASN 92 2.360 -7.283 10.604 730 HB2 ASN 92 2HB ASN 92 2.569 -7.223 13.035 731 HB3 ASN 92 1HB ASN 92 2.619 -5.629 12.298 732 HD21 ASN 92 1HD2 ASN 92 -0.205 -7.619 13.382 733 HD22 ASN 92 2HD2 ASN 92 -0.775 -6.438 14.486 734 H LYS 93 H LYS 93 -0.966 -7.546 11.327 735 HA LYS 93 HA LYS 93 -0.781 -10.192 12.330 736 HB2 LYS 93 2HB LYS 93 -2.765 -8.719 12.748 737 HB3 LYS 93 1HB LYS 93 -3.208 -8.899 11.055 738 HG2 LYS 93 2HG LYS 93 -4.540 -10.401 12.411 739 HG3 LYS 93 1HG LYS 93 -3.428 -11.327 11.391 740 HD2 LYS 93 2HD LYS 93 -1.844 -11.421 13.333 741 HD3 LYS 93 1HD LYS 93 -3.105 -10.681 14.313 742 HE2 LYS 93 2HE LYS 93 -4.518 -12.585 13.955 743 HE3 LYS 93 1HE LYS 93 -3.344 -13.279 12.833 744 HZ1 LYS 93 3HZ LYS 93 -1.731 -13.304 14.691 745 HZ2 LYS 93 1HZ LYS 93 -3.076 -14.303 14.966 746 HZ3 LYS 93 2HZ LYS 93 -2.947 -12.792 15.727 747 H ALA 94 H ALA 94 -1.462 -8.846 9.130 748 HA ALA 94 HA ALA 94 -1.867 -11.326 7.846 749 HB1 ALA 94 1HB ALA 94 -0.894 -8.722 6.686 750 HB2 ALA 94 2HB ALA 94 -2.579 -9.193 6.887 751 HB3 ALA 94 3HB ALA 94 -1.544 -10.084 5.770 752 H LYS 95 H LYS 95 0.940 -9.436 8.615 753 HA LYS 95 HA LYS 95 2.819 -10.734 7.005 754 HB2 LYS 95 2HB LYS 95 3.048 -8.544 8.374 755 HB3 LYS 95 1HB LYS 95 3.430 -9.586 9.730 756 HG2 LYS 95 2HG LYS 95 5.475 -8.771 8.768 757 HG3 LYS 95 1HG LYS 95 5.347 -10.502 8.459 758 HD2 LYS 95 2HD LYS 95 6.142 -9.390 6.455 759 HD3 LYS 95 1HD LYS 95 4.520 -9.991 6.163 760 HE2 LYS 95 2HE LYS 95 4.742 -7.758 5.228 761 HE3 LYS 95 1HE LYS 95 3.627 -7.691 6.583 762 HZ1 LYS 95 3HZ LYS 95 5.182 -5.856 6.569 763 HZ2 LYS 95 1HZ LYS 95 6.486 -6.893 6.652 764 HZ3 LYS 95 2HZ LYS 95 5.418 -6.768 7.955 765 H GLU 96 H GLU 96 1.594 -11.434 10.251 766 HA GLU 96 HA GLU 96 3.210 -13.574 11.053 767 HB2 GLU 96 2HB GLU 96 0.258 -13.121 11.470 768 HB3 GLU 96 1HB GLU 96 1.185 -14.362 12.291 769 HG2 GLU 96 2HG GLU 96 2.462 -12.733 13.439 770 HG3 GLU 96 1HG GLU 96 1.761 -11.431 12.473 771 H LEU 97 H LEU 97 0.338 -13.477 9.063 772 HA LEU 97 HA LEU 97 0.099 -16.308 8.812 773 HB2 LEU 97 2HB LEU 97 -1.223 -14.132 7.201 774 HB3 LEU 97 1HB LEU 97 -1.702 -15.817 7.259 775 HG LEU 97 HG LEU 97 -1.835 -13.857 9.553 776 HD11 LEU 97 1HD1 LEU 97 -4.242 -14.118 9.334 777 HD12 LEU 97 2HD1 LEU 97 -4.001 -15.139 7.916 778 HD13 LEU 97 3HD1 LEU 97 -3.519 -13.444 7.874 779 HD21 LEU 97 3HD2 LEU 97 -1.349 -16.107 10.368 780 HD22 LEU 97 1HD2 LEU 97 -2.693 -16.743 9.414 781 HD23 LEU 97 2HD2 LEU 97 -3.005 -15.641 10.754 782 H GLY 98 H GLY 98 2.113 -14.095 7.318 783 HA2 GLY 98 2HA GLY 98 3.883 -14.835 5.908 784 HA3 GLY 98 1HA GLY 98 2.841 -16.129 5.332 785 H VAL 99 H VAL 99 1.365 -13.087 5.547 786 HA VAL 99 HA VAL 99 1.423 -12.876 2.635 787 HB VAL 99 HB VAL 99 -0.368 -11.497 4.657 788 HG11 VAL 99 1HG1 VAL 99 -1.755 -10.904 2.736 789 HG12 VAL 99 2HG1 VAL 99 -0.578 -11.653 1.655 790 HG13 VAL 99 3HG1 VAL 99 -0.131 -10.230 2.597 791 HG21 VAL 99 3HG2 VAL 99 -2.137 -13.029 3.894 792 HG22 VAL 99 1HG2 VAL 99 -0.796 -13.892 4.650 793 HG23 VAL 99 2HG2 VAL 99 -0.955 -13.876 2.895 794 H ASN 100 H ASN 100 2.500 -11.188 1.713 795 HA ASN 100 HA ASN 100 3.886 -9.412 3.498 796 HB2 ASN 100 2HB ASN 100 5.053 -10.246 1.458 797 HB3 ASN 100 1HB ASN 100 3.894 -9.364 0.463 798 HD21 ASN 100 1HD2 ASN 100 5.532 -8.070 -0.454 799 HD22 ASN 100 2HD2 ASN 100 6.285 -6.806 0.443 800 H ALA 101 H ALA 101 2.331 -8.310 4.442 801 HA ALA 101 HA ALA 101 0.608 -6.561 2.882 802 HB1 ALA 101 1HB ALA 101 -0.322 -7.714 4.834 803 HB2 ALA 101 2HB ALA 101 -0.355 -5.961 5.044 804 HB3 ALA 101 3HB ALA 101 0.872 -6.930 5.867 805 H ILE 102 H ILE 102 1.099 -4.529 2.507 806 HA ILE 102 HA ILE 102 3.161 -3.293 4.120 807 HB ILE 102 HB ILE 102 4.205 -2.302 2.019 808 HG12 ILE 102 2HG1 ILE 102 3.977 -3.789 -0.058 809 HG13 ILE 102 1HG1 ILE 102 2.522 -4.427 0.681 810 HG21 ILE 102 1HG2 ILE 102 5.582 -4.254 1.533 811 HG22 ILE 102 2HG2 ILE 102 4.419 -5.267 2.390 812 HG23 ILE 102 3HG2 ILE 102 5.317 -4.029 3.262 813 HD11 ILE 102 3HD1 ILE 102 3.013 -1.570 -0.086 814 HD12 ILE 102 1HD1 ILE 102 1.540 -2.199 0.650 815 HD13 ILE 102 2HD1 ILE 102 2.010 -2.735 -0.963 816 HA PRO 103 HA PRO 103 0.557 0.307 3.988 817 HB2 PRO 103 2HB PRO 103 2.866 2.085 3.813 818 HB3 PRO 103 1HB PRO 103 1.763 1.838 5.164 819 HG2 PRO 103 2HG PRO 103 4.339 1.018 5.231 820 HG3 PRO 103 1HG PRO 103 3.043 0.175 6.091 821 HD2 PRO 103 2HD PRO 103 4.370 -0.519 3.506 822 HD3 PRO 103 1HD PRO 103 3.852 -1.574 4.837 823 H ILE 104 H ILE 104 -0.146 2.043 2.646 824 HA ILE 104 HA ILE 104 0.050 1.589 -0.094 825 HB ILE 104 HB ILE 104 -0.978 3.953 1.446 826 HG12 ILE 104 2HG1 ILE 104 -2.310 1.796 -0.190 827 HG13 ILE 104 1HG1 ILE 104 -2.273 1.906 1.566 828 HG21 ILE 104 1HG2 ILE 104 -0.245 4.974 -0.575 829 HG22 ILE 104 2HG2 ILE 104 -1.998 4.762 -0.728 830 HG23 ILE 104 3HG2 ILE 104 -0.890 3.661 -1.541 831 HD11 ILE 104 3HD1 ILE 104 -3.604 3.829 -0.308 832 HD12 ILE 104 1HD1 ILE 104 -3.560 3.974 1.445 833 HD13 ILE 104 2HD1 ILE 104 -4.414 2.629 0.700 834 H GLU 105 H GLU 105 1.769 3.993 1.833 835 HA GLU 105 HA GLU 105 2.886 5.182 -0.463 836 HB2 GLU 105 2HB GLU 105 3.525 5.478 2.448 837 HB3 GLU 105 1HB GLU 105 4.578 6.165 1.214 838 HG2 GLU 105 2HG GLU 105 3.041 7.845 2.068 839 HG3 GLU 105 1HG GLU 105 2.752 7.519 0.368 840 H GLU 106 H GLU 106 3.806 2.387 1.316 841 HA GLU 106 HA GLU 106 6.441 2.388 0.148 842 HB2 GLU 106 2HB GLU 106 6.011 1.267 2.374 843 HB3 GLU 106 1HB GLU 106 5.051 0.069 1.519 844 HG2 GLU 106 2HG GLU 106 6.951 -0.704 0.289 845 HG3 GLU 106 1HG GLU 106 7.946 0.607 0.900 846 H LEU 107 H LEU 107 3.292 1.140 -0.541 847 HA LEU 107 HA LEU 107 4.008 -0.557 -2.704 848 HB2 LEU 107 2HB LEU 107 1.761 -0.506 -1.498 849 HB3 LEU 107 1HB LEU 107 1.432 1.009 -2.285 850 HG LEU 107 HG LEU 107 0.232 -0.996 -3.215 851 HD11 LEU 107 1HD1 LEU 107 1.970 0.490 -5.147 852 HD12 LEU 107 2HD1 LEU 107 0.393 1.000 -4.546 853 HD13 LEU 107 3HD1 LEU 107 0.529 -0.435 -5.562 854 HD21 LEU 107 3HD2 LEU 107 1.439 -2.496 -4.714 855 HD22 LEU 107 1HD2 LEU 107 2.018 -2.634 -3.056 856 HD23 LEU 107 2HD2 LEU 107 2.963 -1.744 -4.251 857 H LEU 108 H LEU 108 3.341 2.840 -2.347 858 HA LEU 108 HA LEU 108 3.604 3.547 -5.095 859 HB2 LEU 108 2HB LEU 108 4.017 5.236 -2.636 860 HB3 LEU 108 1HB LEU 108 3.803 5.842 -4.264 861 HG LEU 108 HG LEU 108 1.729 4.381 -2.631 862 HD11 LEU 108 1HD1 LEU 108 2.166 6.614 -1.819 863 HD12 LEU 108 2HD1 LEU 108 0.582 6.523 -2.592 864 HD13 LEU 108 3HD1 LEU 108 1.937 7.266 -3.441 865 HD21 LEU 108 3HD2 LEU 108 0.183 4.990 -4.443 866 HD22 LEU 108 1HD2 LEU 108 1.451 3.899 -5.000 867 HD23 LEU 108 2HD2 LEU 108 1.538 5.617 -5.380 868 H ALA 109 H ALA 109 5.830 3.163 -2.423 869 HA ALA 109 HA ALA 109 8.059 4.382 -3.710 870 HB1 ALA 109 1HB ALA 109 9.390 3.415 -1.918 871 HB2 ALA 109 2HB ALA 109 8.032 2.395 -1.439 872 HB3 ALA 109 3HB ALA 109 7.923 4.147 -1.269 873 H SER 110 H SER 110 6.652 1.220 -3.777 874 HA SER 110 HA SER 110 8.912 0.147 -5.259 875 HB2 SER 110 2HB SER 110 7.597 -2.024 -4.953 876 HB3 SER 110 1HB SER 110 8.234 -1.284 -3.484 877 HG SER 110 HG SER 110 6.260 -0.670 -2.900 878 H SER 111 H SER 111 6.996 2.136 -6.292 879 HA SER 111 HA SER 111 5.239 0.860 -8.138 880 HB2 SER 111 2HB SER 111 4.656 3.018 -7.228 881 HB3 SER 111 1HB SER 111 6.127 3.752 -7.857 882 HG SER 111 HG SER 111 4.935 2.765 -9.926 883 H LEU 112 H LEU 112 8.499 0.991 -8.185 884 HA LEU 112 HA LEU 112 10.086 0.467 -9.687 885 HB2 LEU 112 2HB LEU 112 7.756 -0.107 -11.527 886 HB3 LEU 112 1HB LEU 112 9.417 -0.565 -11.850 887 HG LEU 112 HG LEU 112 7.690 -1.616 -9.605 888 HD11 LEU 112 1HD1 LEU 112 7.793 -3.733 -10.810 889 HD12 LEU 112 2HD1 LEU 112 8.698 -2.953 -12.106 890 HD13 LEU 112 3HD1 LEU 112 7.034 -2.473 -11.784 891 HD21 LEU 112 3HD2 LEU 112 10.020 -1.517 -8.913 892 HD22 LEU 112 1HD2 LEU 112 10.515 -2.340 -10.393 893 HD23 LEU 112 2HD2 LEU 112 9.539 -3.186 -9.194 894 H GLU 113 H GLU 113 9.220 3.098 -9.395 895 HA GLU 113 HA GLU 113 9.331 4.433 -11.974 896 HB2 GLU 113 2HB GLU 113 9.601 5.642 -9.228 897 HB3 GLU 113 1HB GLU 113 9.177 6.463 -10.721 898 HG2 GLU 113 2HG GLU 113 7.096 5.167 -10.793 899 HG3 GLU 113 1HG GLU 113 7.526 4.450 -9.242 900 H HIS 114 H HIS 114 11.337 3.430 -9.423 901 HA HIS 114 HA HIS 114 13.498 3.512 -8.912 902 HB2 HIS 114 2HB HIS 114 13.850 2.629 -11.226 903 HB3 HIS 114 1HB HIS 114 13.966 4.279 -11.818 904 HD1 HIS 114 1HD HIS 114 16.259 5.310 -11.789 905 HD2 HIS 114 2HD HIS 114 16.025 1.898 -9.443 906 HE1 HIS 114 1HE HIS 114 18.601 4.850 -11.038 907 HE2 HIS 114 2HE HIS 114 18.447 2.602 -9.953 908 H HIS 115 H HIS 115 12.888 5.218 -7.572 909 HA HIS 115 HA HIS 115 13.890 7.799 -8.442 910 HB2 HIS 115 2HB HIS 115 11.993 7.028 -6.243 911 HB3 HIS 115 1HB HIS 115 12.868 8.556 -6.167 912 HD1 HIS 115 1HD HIS 115 9.647 7.556 -7.000 913 HD2 HIS 115 2HD HIS 115 12.509 9.794 -9.015 914 HE1 HIS 115 1HE HIS 115 8.391 8.904 -8.672 915 HE2 HIS 115 2HE HIS 115 10.155 10.062 -10.018 916 H HIS 116 H HIS 116 15.631 8.645 -7.638 917 HA HIS 116 HA HIS 116 17.470 6.971 -6.277 918 HB2 HIS 116 2HB HIS 116 18.082 8.724 -7.973 919 HB3 HIS 116 1HB HIS 116 17.593 9.963 -6.839 920 HD1 HIS 116 1HD HIS 116 20.412 7.704 -7.722 921 HD2 HIS 116 2HD HIS 116 19.429 10.389 -4.691 922 HE1 HIS 116 1HE HIS 116 22.554 8.175 -6.502 923 HE2 HIS 116 2HE HIS 116 21.968 10.001 -4.881 924 H HIS 117 H HIS 117 18.155 7.076 -4.143 925 HA HIS 117 HA HIS 117 16.321 7.737 -2.180 926 HB2 HIS 117 2HB HIS 117 18.288 6.149 -1.964 927 HB3 HIS 117 1HB HIS 117 19.328 7.554 -1.794 928 HD1 HIS 117 1HD HIS 117 17.589 5.120 0.186 929 HD2 HIS 117 2HD HIS 117 18.417 9.170 0.639 930 HE1 HIS 117 1HE HIS 117 17.424 5.564 2.619 931 HE2 HIS 117 2HE HIS 117 17.494 8.032 2.777 932 H HIS 118 H HIS 118 15.671 9.656 -1.671 933 HA HIS 118 HA HIS 118 17.450 11.953 -1.981 934 HB2 HIS 118 2HB HIS 118 15.395 13.281 -2.594 935 HB3 HIS 118 1HB HIS 118 15.850 12.065 -3.775 936 HD1 HIS 118 1HD HIS 118 14.328 9.856 -3.772 937 HD2 HIS 118 2HD HIS 118 12.800 13.112 -1.695 938 HE1 HIS 118 1HE HIS 118 11.881 9.367 -3.451 939 HE2 HIS 118 2HE HIS 118 10.958 11.507 -2.548 940 H HIS 119 H HIS 119 16.855 13.798 -0.600 941 HA HIS 119 HA HIS 119 15.698 12.829 1.923 942 HB2 HIS 119 2HB HIS 119 17.910 14.877 1.547 943 HB3 HIS 119 1HB HIS 119 17.249 14.355 3.090 944 HD1 HIS 119 1HD HIS 119 19.822 13.603 0.616 945 HD2 HIS 119 2HD HIS 119 17.921 11.596 3.704 946 HE1 HIS 119 1HE HIS 119 21.255 11.624 1.094 947 HE2 HIS 119 2HE HIS 119 20.259 10.631 3.155 Start of MODEL 2 1 H1 MET 1 1HT MET 1 1.421 -11.829 -10.848 2 H2 MET 1 2HT MET 1 0.741 -10.285 -10.795 3 H3 MET 1 3HT MET 1 -0.252 -11.620 -10.985 4 HA MET 1 HA MET 1 0.248 -12.364 -8.791 5 HB2 MET 1 2HB MET 1 2.578 -11.423 -8.764 6 HB3 MET 1 1HB MET 1 1.889 -9.817 -8.610 7 HG2 MET 1 2HG MET 1 0.969 -10.383 -6.442 8 HG3 MET 1 1HG MET 1 1.541 -12.041 -6.603 9 HE1 MET 1 2HE MET 1 2.870 -12.043 -4.315 10 HE2 MET 1 3HE MET 1 2.175 -10.454 -4.012 11 HE3 MET 1 1HE MET 1 3.905 -10.715 -3.798 12 H PHE 2 H PHE 2 -1.262 -11.766 -7.245 13 HA PHE 2 HA PHE 2 -3.042 -9.641 -8.078 14 HB2 PHE 2 2HB PHE 2 -3.302 -11.674 -5.848 15 HB3 PHE 2 1HB PHE 2 -4.550 -10.544 -6.345 16 HD1 PHE 2 2HD PHE 2 -5.523 -10.790 -8.665 17 HD2 PHE 2 1HD PHE 2 -3.066 -13.763 -6.872 18 HE1 PHE 2 2HE PHE 2 -6.392 -12.462 -10.239 19 HE2 PHE 2 1HE PHE 2 -3.931 -15.436 -8.440 20 HZ PHE 2 HZ PHE 2 -5.598 -14.787 -10.130 21 H ALA 3 H ALA 3 -3.770 -8.069 -6.594 22 HA ALA 3 HA ALA 3 -2.111 -7.627 -4.233 23 HB1 ALA 3 1HB ALA 3 -2.904 -5.522 -6.261 24 HB2 ALA 3 2HB ALA 3 -1.269 -6.129 -5.992 25 HB3 ALA 3 3HB ALA 3 -2.091 -5.213 -4.728 26 H VAL 4 H VAL 4 -3.478 -7.748 -2.621 27 HA VAL 4 HA VAL 4 -6.288 -7.207 -3.172 28 HB VAL 4 HB VAL 4 -5.064 -8.661 -0.802 29 HG11 VAL 4 1HG1 VAL 4 -7.228 -7.593 -0.261 30 HG12 VAL 4 2HG1 VAL 4 -7.372 -9.350 -0.291 31 HG13 VAL 4 3HG1 VAL 4 -7.966 -8.395 -1.647 32 HG21 VAL 4 3HG2 VAL 4 -6.548 -9.760 -3.186 33 HG22 VAL 4 1HG2 VAL 4 -5.940 -10.690 -1.825 34 HG23 VAL 4 2HG2 VAL 4 -4.811 -9.888 -2.916 35 H ILE 5 H ILE 5 -7.323 -5.604 -2.315 36 HA ILE 5 HA ILE 5 -5.821 -3.611 -0.788 37 HB ILE 5 HB ILE 5 -8.514 -3.407 -2.179 38 HG12 ILE 5 2HG1 ILE 5 -5.793 -2.466 -3.132 39 HG13 ILE 5 1HG1 ILE 5 -6.626 -3.894 -3.730 40 HG21 ILE 5 1HG2 ILE 5 -8.231 -1.748 -0.407 41 HG22 ILE 5 2HG2 ILE 5 -8.180 -0.984 -1.997 42 HG23 ILE 5 3HG2 ILE 5 -6.686 -1.253 -1.104 43 HD11 ILE 5 3HD1 ILE 5 -8.414 -2.497 -4.601 44 HD12 ILE 5 1HD1 ILE 5 -6.851 -2.004 -5.254 45 HD13 ILE 5 2HD1 ILE 5 -7.615 -1.060 -3.970 46 H SER 6 H SER 6 -6.253 -3.259 1.323 47 HA SER 6 HA SER 6 -8.490 -4.615 2.587 48 HB2 SER 6 2HB SER 6 -6.299 -2.904 3.796 49 HB3 SER 6 1HB SER 6 -7.398 -3.972 4.676 50 HG SER 6 HG SER 6 -5.871 -5.013 2.593 51 HA PRO 7 HA PRO 7 -11.200 -1.053 2.696 52 HB2 PRO 7 2HB PRO 7 -11.657 -1.660 5.580 53 HB3 PRO 7 1HB PRO 7 -12.837 -1.452 4.280 54 HG2 PRO 7 2HG PRO 7 -12.295 -3.885 5.135 55 HG3 PRO 7 1HG PRO 7 -12.412 -3.578 3.390 56 HD2 PRO 7 2HD PRO 7 -9.957 -3.853 5.095 57 HD3 PRO 7 1HD PRO 7 -10.312 -4.589 3.513 58 H SER 8 H SER 8 -8.758 -1.253 5.215 59 HA SER 8 HA SER 8 -8.896 1.469 6.002 60 HB2 SER 8 2HB SER 8 -6.468 0.921 6.748 61 HB3 SER 8 1HB SER 8 -7.807 0.090 7.538 62 HG SER 8 HG SER 8 -7.155 -1.695 6.781 63 H ALA 9 H ALA 9 -7.762 -0.009 3.171 64 HA ALA 9 HA ALA 9 -5.880 2.127 2.551 65 HB1 ALA 9 1HB ALA 9 -5.335 0.664 0.605 66 HB2 ALA 9 2HB ALA 9 -6.533 -0.486 1.197 67 HB3 ALA 9 3HB ALA 9 -5.114 -0.119 2.166 68 H PHE 10 H PHE 10 -9.050 1.975 2.469 69 HA PHE 10 HA PHE 10 -9.712 2.486 -0.244 70 HB2 PHE 10 2HB PHE 10 -11.206 3.016 2.312 71 HB3 PHE 10 1HB PHE 10 -11.841 3.479 0.743 72 HD1 PHE 10 2HD PHE 10 -10.025 0.540 0.212 73 HD2 PHE 10 1HD PHE 10 -13.654 1.931 1.941 74 HE1 PHE 10 2HE PHE 10 -10.998 -1.680 -0.069 75 HE2 PHE 10 1HE PHE 10 -14.631 -0.302 1.661 76 HZ PHE 10 HZ PHE 10 -13.308 -2.105 0.663 77 H GLY 11 H GLY 11 -10.175 4.319 -1.322 78 HA2 GLY 11 2HA GLY 11 -10.115 6.563 -1.864 79 HA3 GLY 11 1HA GLY 11 -9.653 6.911 -0.202 80 H LYS 12 H LYS 12 -7.414 5.224 -0.047 81 HA LYS 12 HA LYS 12 -5.446 6.779 -1.480 82 HB2 LYS 12 2HB LYS 12 -5.199 4.462 0.438 83 HB3 LYS 12 1HB LYS 12 -3.876 5.483 -0.088 84 HG2 LYS 12 2HG LYS 12 -6.252 6.460 1.473 85 HG3 LYS 12 1HG LYS 12 -4.764 5.904 2.224 86 HD2 LYS 12 2HD LYS 12 -4.996 8.192 0.254 87 HD3 LYS 12 1HD LYS 12 -4.931 8.373 2.003 88 HE2 LYS 12 2HE LYS 12 -2.734 7.077 0.363 89 HE3 LYS 12 1HE LYS 12 -2.753 8.778 0.786 90 HZ1 LYS 12 3HZ LYS 12 -1.378 7.660 2.329 91 HZ2 LYS 12 1HZ LYS 12 -2.529 6.478 2.705 92 HZ3 LYS 12 2HZ LYS 12 -2.751 8.095 3.151 93 H LEU 13 H LEU 13 -7.225 3.964 -1.854 94 HA LEU 13 HA LEU 13 -5.425 2.282 -3.125 95 HB2 LEU 13 2HB LEU 13 -7.418 1.046 -4.018 96 HB3 LEU 13 1HB LEU 13 -7.348 1.230 -2.285 97 HG LEU 13 HG LEU 13 -9.068 3.100 -2.542 98 HD11 LEU 13 1HD1 LEU 13 -9.365 1.921 -5.282 99 HD12 LEU 13 2HD1 LEU 13 -8.654 3.481 -4.920 100 HD13 LEU 13 3HD1 LEU 13 -10.370 3.195 -4.567 101 HD21 LEU 13 3HD2 LEU 13 -9.855 0.341 -3.446 102 HD22 LEU 13 1HD2 LEU 13 -10.933 1.557 -2.768 103 HD23 LEU 13 2HD2 LEU 13 -9.650 0.859 -1.777 104 H LYS 14 H LYS 14 -7.009 5.012 -4.361 105 HA LYS 14 HA LYS 14 -6.732 4.303 -7.123 106 HB2 LYS 14 2HB LYS 14 -7.250 6.942 -5.749 107 HB3 LYS 14 1HB LYS 14 -7.222 6.755 -7.499 108 HG2 LYS 14 2HG LYS 14 -9.109 5.272 -7.441 109 HG3 LYS 14 1HG LYS 14 -9.049 5.205 -5.683 110 HD2 LYS 14 2HD LYS 14 -9.640 7.689 -7.272 111 HD3 LYS 14 1HD LYS 14 -10.864 6.634 -6.571 112 HE2 LYS 14 2HE LYS 14 -9.775 7.029 -4.327 113 HE3 LYS 14 1HE LYS 14 -8.777 8.246 -5.111 114 HZ1 LYS 14 3HZ LYS 14 -11.741 8.284 -4.924 115 HZ2 LYS 14 1HZ LYS 14 -10.801 9.439 -5.723 116 HZ3 LYS 14 2HZ LYS 14 -10.662 9.253 -4.065 117 H GLU 15 H GLU 15 -4.728 5.630 -4.691 118 HA GLU 15 HA GLU 15 -2.862 6.899 -6.429 119 HB2 GLU 15 2HB GLU 15 -2.703 6.190 -3.500 120 HB3 GLU 15 1HB GLU 15 -1.558 7.222 -4.362 121 HG2 GLU 15 2HG GLU 15 -3.271 8.798 -4.867 122 HG3 GLU 15 1HG GLU 15 -4.503 7.780 -4.116 123 H ILE 16 H ILE 16 -2.913 3.898 -4.539 124 HA ILE 16 HA ILE 16 -0.400 2.943 -5.460 125 HB ILE 16 HB ILE 16 -1.251 0.631 -4.891 126 HG12 ILE 16 2HG1 ILE 16 -3.705 2.185 -4.075 127 HG13 ILE 16 1HG1 ILE 16 -3.617 0.984 -5.347 128 HG21 ILE 16 1HG2 ILE 16 -1.213 0.978 -2.524 129 HG22 ILE 16 2HG2 ILE 16 -1.638 2.667 -2.754 130 HG23 ILE 16 3HG2 ILE 16 -0.056 2.078 -3.295 131 HD11 ILE 16 3HD1 ILE 16 -4.715 0.094 -3.398 132 HD12 ILE 16 1HD1 ILE 16 -3.324 0.498 -2.396 133 HD13 ILE 16 2HD1 ILE 16 -3.184 -0.743 -3.651 134 H LEU 17 H LEU 17 -3.609 2.705 -6.709 135 HA LEU 17 HA LEU 17 -3.115 0.825 -8.716 136 HB2 LEU 17 2HB LEU 17 -5.312 1.405 -7.827 137 HB3 LEU 17 1HB LEU 17 -5.168 3.009 -8.490 138 HG LEU 17 HG LEU 17 -5.360 2.117 -10.754 139 HD11 LEU 17 1HD1 LEU 17 -5.866 -0.238 -11.122 140 HD12 LEU 17 2HD1 LEU 17 -5.646 -0.572 -9.404 141 HD13 LEU 17 3HD1 LEU 17 -4.271 -0.065 -10.389 142 HD21 LEU 17 3HD2 LEU 17 -7.438 1.103 -8.836 143 HD22 LEU 17 1HD2 LEU 17 -7.644 1.304 -10.572 144 HD23 LEU 17 2HD2 LEU 17 -7.363 2.717 -9.547 145 H GLY 18 H GLY 18 -3.337 4.403 -8.876 146 HA2 GLY 18 2HA GLY 18 -2.606 4.436 -11.644 147 HA3 GLY 18 1HA GLY 18 -2.832 5.822 -10.595 148 H SER 19 H SER 19 -0.697 4.482 -8.763 149 HA SER 19 HA SER 19 1.494 5.708 -10.279 150 HB2 SER 19 2HB SER 19 1.277 5.262 -7.319 151 HB3 SER 19 1HB SER 19 2.540 6.184 -8.146 152 HG SER 19 HG SER 19 -0.110 6.771 -7.628 153 H ASN 20 H ASN 20 0.458 2.639 -9.560 154 HA ASN 20 HA ASN 20 3.234 1.638 -9.645 155 HB2 ASN 20 2HB ASN 20 2.202 1.270 -7.390 156 HB3 ASN 20 1HB ASN 20 0.942 0.319 -8.159 157 HD21 ASN 20 1HD2 ASN 20 4.127 0.320 -6.914 158 HD22 ASN 20 2HD2 ASN 20 4.485 -1.335 -7.262 159 H LYS 21 H LYS 21 -0.131 0.515 -10.057 160 HA LYS 21 HA LYS 21 -1.218 -0.664 -11.618 161 HB2 LYS 21 2HB LYS 21 0.941 0.347 -13.463 162 HB3 LYS 21 1HB LYS 21 -0.537 -0.437 -13.997 163 HG2 LYS 21 2HG LYS 21 -1.830 1.378 -12.929 164 HG3 LYS 21 1HG LYS 21 -0.312 2.159 -12.504 165 HD2 LYS 21 2HD LYS 21 -1.259 1.550 -15.299 166 HD3 LYS 21 1HD LYS 21 -1.331 3.120 -14.505 167 HE2 LYS 21 2HE LYS 21 1.149 3.054 -14.293 168 HE3 LYS 21 1HE LYS 21 1.146 1.566 -15.246 169 HZ1 LYS 21 3HZ LYS 21 0.161 4.214 -16.125 170 HZ2 LYS 21 1HZ LYS 21 0.081 2.815 -17.052 171 HZ3 LYS 21 2HZ LYS 21 1.568 3.463 -16.660 172 H ASN 22 H ASN 22 -0.980 -2.343 -13.433 173 HA ASN 22 HA ASN 22 -0.329 -4.265 -14.334 174 HB2 ASN 22 2HB ASN 22 2.325 -3.689 -13.047 175 HB3 ASN 22 1HB ASN 22 2.021 -5.157 -13.971 176 HD21 ASN 22 1HD2 ASN 22 1.758 -5.021 -16.173 177 HD22 ASN 22 2HD2 ASN 22 2.124 -3.590 -17.065 178 H TYR 23 H TYR 23 -0.357 -3.922 -11.022 179 HA TYR 23 HA TYR 23 -0.376 -6.755 -10.494 180 HB2 TYR 23 2HB TYR 23 -1.114 -4.364 -8.821 181 HB3 TYR 23 1HB TYR 23 -1.542 -5.982 -8.315 182 HD1 TYR 23 2HD TYR 23 0.421 -7.667 -8.049 183 HD2 TYR 23 1HD TYR 23 0.928 -3.448 -8.224 184 HE1 TYR 23 2HE TYR 23 2.583 -7.877 -6.888 185 HE2 TYR 23 1HE TYR 23 3.080 -3.658 -7.062 186 HH TYR 23 HH TYR 23 4.127 -5.293 -5.496 187 H LYS 24 H LYS 24 -2.202 -7.922 -9.987 188 HA LYS 24 HA LYS 24 -4.612 -6.836 -11.189 189 HB2 LYS 24 2HB LYS 24 -3.870 -9.176 -11.779 190 HB3 LYS 24 1HB LYS 24 -4.141 -9.631 -10.109 191 HG2 LYS 24 2HG LYS 24 -6.077 -10.381 -11.133 192 HG3 LYS 24 1HG LYS 24 -6.569 -8.807 -10.528 193 HD2 LYS 24 2HD LYS 24 -5.686 -9.357 -13.383 194 HD3 LYS 24 1HD LYS 24 -7.358 -9.325 -12.851 195 HE2 LYS 24 2HE LYS 24 -7.063 -6.918 -12.239 196 HE3 LYS 24 1HE LYS 24 -5.407 -7.022 -12.842 197 HZ1 LYS 24 3HZ LYS 24 -7.803 -7.508 -14.526 198 HZ2 LYS 24 1HZ LYS 24 -6.202 -7.510 -15.013 199 HZ3 LYS 24 2HZ LYS 24 -6.914 -6.084 -14.501 200 H PHE 25 H PHE 25 -5.400 -5.468 -9.816 201 HA PHE 25 HA PHE 25 -5.236 -5.849 -7.012 202 HB2 PHE 25 2HB PHE 25 -6.568 -3.784 -8.726 203 HB3 PHE 25 1HB PHE 25 -6.631 -3.730 -6.963 204 HD1 PHE 25 2HD PHE 25 -4.504 -3.363 -9.939 205 HD2 PHE 25 1HD PHE 25 -4.669 -3.088 -5.696 206 HE1 PHE 25 2HE PHE 25 -2.363 -2.149 -9.937 207 HE2 PHE 25 1HE PHE 25 -2.530 -1.872 -5.693 208 HZ PHE 25 HZ PHE 25 -1.373 -1.409 -7.811 209 H VAL 26 H VAL 26 -6.582 -6.657 -5.726 210 HA VAL 26 HA VAL 26 -9.226 -7.494 -6.675 211 HB VAL 26 HB VAL 26 -7.379 -8.933 -4.752 212 HG11 VAL 26 1HG1 VAL 26 -9.036 -10.746 -4.801 213 HG12 VAL 26 2HG1 VAL 26 -10.084 -9.751 -5.811 214 HG13 VAL 26 3HG1 VAL 26 -9.723 -9.253 -4.159 215 HG21 VAL 26 3HG2 VAL 26 -8.205 -9.683 -7.553 216 HG22 VAL 26 1HG2 VAL 26 -7.252 -10.692 -6.463 217 HG23 VAL 26 2HG2 VAL 26 -6.603 -9.155 -7.039 218 H ILE 27 H ILE 27 -10.824 -6.826 -5.452 219 HA ILE 27 HA ILE 27 -10.204 -5.747 -2.808 220 HB ILE 27 HB ILE 27 -10.941 -4.233 -4.828 221 HG12 ILE 27 2HG1 ILE 27 -10.730 -3.289 -2.588 222 HG13 ILE 27 1HG1 ILE 27 -12.116 -2.609 -3.408 223 HG21 ILE 27 1HG2 ILE 27 -12.778 -5.420 -5.646 224 HG22 ILE 27 2HG2 ILE 27 -13.358 -3.864 -5.046 225 HG23 ILE 27 3HG2 ILE 27 -13.606 -5.332 -4.095 226 HD11 ILE 27 3HD1 ILE 27 -13.544 -4.176 -2.072 227 HD12 ILE 27 1HD1 ILE 27 -12.649 -2.964 -1.141 228 HD13 ILE 27 2HD1 ILE 27 -12.066 -4.611 -1.196 229 H THR 28 H THR 28 -11.734 -6.385 -1.161 230 HA THR 28 HA THR 28 -12.841 -8.959 -1.647 231 HB THR 28 HB THR 28 -13.322 -8.783 0.826 232 HG1 THR 28 1HG THR 28 -11.931 -7.005 1.712 233 HG21 THR 28 3HG2 THR 28 -10.494 -8.282 -0.106 234 HG22 THR 28 1HG2 THR 28 -11.310 -9.848 -0.124 235 HG23 THR 28 2HG2 THR 28 -10.987 -9.046 1.410 236 H THR 29 H THR 29 -14.952 -9.501 -0.559 237 HA THR 29 HA THR 29 -17.013 -7.991 -1.768 238 HB THR 29 HB THR 29 -18.513 -9.680 -0.568 239 HG1 THR 29 1HG THR 29 -16.208 -10.279 0.753 240 HG21 THR 29 3HG2 THR 29 -17.840 -9.934 -2.906 241 HG22 THR 29 1HG2 THR 29 -17.892 -11.500 -2.098 242 HG23 THR 29 2HG2 THR 29 -16.343 -10.711 -2.398 243 H LEU 30 H LEU 30 -15.882 -8.480 1.550 244 HA LEU 30 HA LEU 30 -17.889 -6.839 2.706 245 HB2 LEU 30 2HB LEU 30 -15.236 -7.863 3.647 246 HB3 LEU 30 1HB LEU 30 -16.128 -6.690 4.592 247 HG LEU 30 HG LEU 30 -17.256 -9.381 3.798 248 HD11 LEU 30 1HD1 LEU 30 -16.793 -10.039 6.105 249 HD12 LEU 30 2HD1 LEU 30 -15.998 -8.493 6.399 250 HD13 LEU 30 3HD1 LEU 30 -15.297 -9.645 5.259 251 HD21 LEU 30 3HD2 LEU 30 -18.932 -7.676 4.279 252 HD22 LEU 30 1HD2 LEU 30 -18.110 -7.280 5.787 253 HD23 LEU 30 2HD2 LEU 30 -18.865 -8.856 5.585 254 H GLY 31 H GLY 31 -14.862 -6.292 1.188 255 HA2 GLY 31 2HA GLY 31 -14.388 -3.664 2.052 256 HA3 GLY 31 1HA GLY 31 -13.769 -4.396 0.576 257 H VAL 32 H VAL 32 -15.914 -4.860 -0.968 258 HA VAL 32 HA VAL 32 -16.544 -2.267 -1.833 259 HB VAL 32 HB VAL 32 -18.153 -3.243 -3.448 260 HG11 VAL 32 1HG1 VAL 32 -15.520 -4.664 -3.274 261 HG12 VAL 32 2HG1 VAL 32 -15.820 -3.096 -4.020 262 HG13 VAL 32 3HG1 VAL 32 -16.532 -4.558 -4.712 263 HG21 VAL 32 3HG2 VAL 32 -19.039 -5.090 -2.115 264 HG22 VAL 32 1HG2 VAL 32 -17.459 -5.873 -2.143 265 HG23 VAL 32 2HG2 VAL 32 -18.371 -5.679 -3.639 266 H SER 33 H SER 33 -18.488 -4.512 0.084 267 HA SER 33 HA SER 33 -20.801 -2.937 0.098 268 HB2 SER 33 2HB SER 33 -19.788 -4.864 2.209 269 HB3 SER 33 1HB SER 33 -21.448 -4.279 2.065 270 HG SER 33 HG SER 33 -21.281 -5.159 -0.157 271 H PHE 34 H PHE 34 -17.889 -2.901 2.103 272 HA PHE 34 HA PHE 34 -18.813 -1.046 4.024 273 HB2 PHE 34 2HB PHE 34 -16.838 -2.512 4.385 274 HB3 PHE 34 1HB PHE 34 -15.962 -1.626 3.153 275 HD1 PHE 34 1HD PHE 34 -17.533 -1.321 6.491 276 HD2 PHE 34 2HD PHE 34 -14.782 0.354 3.705 277 HE1 PHE 34 1HE PHE 34 -16.711 0.215 8.227 278 HE2 PHE 34 2HE PHE 34 -13.960 1.893 5.435 279 HZ PHE 34 HZ PHE 34 -14.923 1.824 7.702 280 H ALA 35 H ALA 35 -17.151 -0.723 0.940 281 HA ALA 35 HA ALA 35 -16.727 2.060 1.084 282 HB1 ALA 35 1HB ALA 35 -15.524 0.621 -0.496 283 HB2 ALA 35 2HB ALA 35 -16.345 1.943 -1.323 284 HB3 ALA 35 3HB ALA 35 -17.031 0.318 -1.362 285 H ILE 36 H ILE 36 -19.305 0.117 -0.371 286 HA ILE 36 HA ILE 36 -20.842 2.170 -1.471 287 HB ILE 36 HB ILE 36 -21.823 -0.457 -0.307 288 HG12 ILE 36 2HG1 ILE 36 -20.207 -0.807 -2.099 289 HG13 ILE 36 1HG1 ILE 36 -21.814 -1.275 -2.631 290 HG21 ILE 36 1HG2 ILE 36 -23.813 -0.193 -1.712 291 HG22 ILE 36 2HG2 ILE 36 -23.252 1.411 -2.190 292 HG23 ILE 36 3HG2 ILE 36 -23.675 1.093 -0.509 293 HD11 ILE 36 3HD1 ILE 36 -20.641 -0.130 -4.388 294 HD12 ILE 36 1HD1 ILE 36 -20.358 1.261 -3.338 295 HD13 ILE 36 2HD1 ILE 36 -21.999 0.854 -3.837 296 H LYS 37 H LYS 37 -21.167 0.685 1.741 297 HA LYS 37 HA LYS 37 -23.337 2.359 2.479 298 HB2 LYS 37 2HB LYS 37 -23.095 1.423 4.731 299 HB3 LYS 37 1HB LYS 37 -23.066 0.184 3.484 300 HG2 LYS 37 2HG LYS 37 -20.603 0.120 3.654 301 HG3 LYS 37 1HG LYS 37 -20.686 1.288 4.968 302 HD2 LYS 37 2HD LYS 37 -20.436 -0.943 5.856 303 HD3 LYS 37 1HD LYS 37 -22.034 -0.314 6.268 304 HE2 LYS 37 2HE LYS 37 -23.018 -1.611 4.432 305 HE3 LYS 37 1HE LYS 37 -21.419 -2.203 3.991 306 HZ1 LYS 37 3HZ LYS 37 -22.766 -2.714 6.587 307 HZ2 LYS 37 1HZ LYS 37 -21.280 -3.325 6.107 308 HZ3 LYS 37 2HZ LYS 37 -22.698 -3.809 5.326 309 H SER 38 H SER 38 -19.923 2.812 2.651 310 HA SER 38 HA SER 38 -20.220 5.020 4.498 311 HB2 SER 38 2HB SER 38 -17.745 4.018 3.085 312 HB3 SER 38 1HB SER 38 -17.789 5.162 4.432 313 HG SER 38 HG SER 38 -18.149 2.428 4.376 314 H GLY 39 H GLY 39 -20.065 4.504 1.083 315 HA2 GLY 39 2HA GLY 39 -20.693 6.067 -0.524 316 HA3 GLY 39 1HA GLY 39 -20.451 7.356 0.649 317 H ILE 40 H ILE 40 -18.153 4.850 -0.025 318 HA ILE 40 HA ILE 40 -16.171 6.855 -0.779 319 HB ILE 40 HB ILE 40 -15.876 3.898 -0.126 320 HG12 ILE 40 2HG1 ILE 40 -15.134 6.336 1.514 321 HG13 ILE 40 1HG1 ILE 40 -16.553 5.338 1.790 322 HG21 ILE 40 1HG2 ILE 40 -13.729 5.985 -0.565 323 HG22 ILE 40 2HG2 ILE 40 -14.111 4.649 -1.649 324 HG23 ILE 40 3HG2 ILE 40 -13.464 4.322 -0.042 325 HD11 ILE 40 3HD1 ILE 40 -13.687 4.435 2.014 326 HD12 ILE 40 1HD1 ILE 40 -15.112 3.442 2.317 327 HD13 ILE 40 2HD1 ILE 40 -14.766 4.822 3.358 328 H ASP 41 H ASP 41 -15.198 6.865 -2.805 329 HA ASP 41 HA ASP 41 -16.797 5.747 -4.854 330 HB2 ASP 41 2HB ASP 41 -15.412 6.956 -6.460 331 HB3 ASP 41 1HB ASP 41 -15.836 8.010 -5.129 332 H ILE 42 H ILE 42 -16.693 3.644 -4.677 333 HA ILE 42 HA ILE 42 -14.185 2.247 -4.975 334 HB ILE 42 HB ILE 42 -15.915 1.369 -3.459 335 HG12 ILE 42 2HG1 ILE 42 -15.983 -1.005 -4.234 336 HG13 ILE 42 1HG1 ILE 42 -15.332 -0.476 -5.780 337 HG21 ILE 42 1HG2 ILE 42 -17.909 2.053 -4.601 338 HG22 ILE 42 2HG2 ILE 42 -17.956 0.321 -4.271 339 HG23 ILE 42 3HG2 ILE 42 -17.598 0.900 -5.900 340 HD11 ILE 42 3HD1 ILE 42 -13.619 -1.422 -4.329 341 HD12 ILE 42 1HD1 ILE 42 -13.974 -0.204 -3.105 342 HD13 ILE 42 2HD1 ILE 42 -13.297 0.280 -4.663 343 H ASP 43 H ASP 43 -16.647 3.467 -6.972 344 HA ASP 43 HA ASP 43 -16.632 1.696 -9.148 345 HB2 ASP 43 2HB ASP 43 -17.100 4.681 -9.163 346 HB3 ASP 43 1HB ASP 43 -17.417 3.622 -10.526 347 H SER 44 H SER 44 -14.608 4.477 -8.419 348 HA SER 44 HA SER 44 -13.202 4.742 -10.771 349 HB2 SER 44 2HB SER 44 -12.057 5.098 -8.012 350 HB3 SER 44 1HB SER 44 -11.715 6.037 -9.468 351 HG SER 44 HG SER 44 -13.302 6.773 -7.703 352 H ALA 45 H ALA 45 -12.756 2.507 -8.098 353 HA ALA 45 HA ALA 45 -10.197 1.545 -8.967 354 HB1 ALA 45 1HB ALA 45 -10.852 1.554 -6.604 355 HB2 ALA 45 2HB ALA 45 -10.459 -0.073 -7.152 356 HB3 ALA 45 3HB ALA 45 -12.143 0.412 -6.958 357 H LEU 46 H LEU 46 -13.495 0.325 -8.879 358 HA LEU 46 HA LEU 46 -13.068 -2.180 -10.038 359 HB2 LEU 46 2HB LEU 46 -15.518 -0.437 -10.190 360 HB3 LEU 46 1HB LEU 46 -15.475 -2.153 -10.517 361 HG LEU 46 HG LEU 46 -15.001 -0.812 -7.858 362 HD11 LEU 46 1HD1 LEU 46 -17.265 -2.530 -8.834 363 HD12 LEU 46 2HD1 LEU 46 -17.321 -0.794 -8.512 364 HD13 LEU 46 3HD1 LEU 46 -17.064 -1.933 -7.186 365 HD21 LEU 46 3HD2 LEU 46 -15.011 -3.753 -8.539 366 HD22 LEU 46 1HD2 LEU 46 -14.924 -3.075 -6.915 367 HD23 LEU 46 2HD2 LEU 46 -13.604 -2.805 -8.048 368 H ASP 47 H ASP 47 -13.870 0.905 -11.484 369 HA ASP 47 HA ASP 47 -14.166 0.159 -14.151 370 HB2 ASP 47 2HB ASP 47 -14.790 2.369 -13.401 371 HB3 ASP 47 1HB ASP 47 -13.126 2.732 -12.966 372 H ARG 48 H ARG 48 -11.251 1.183 -12.437 373 HA ARG 48 HA ARG 48 -9.645 1.035 -14.781 374 HB2 ARG 48 2HB ARG 48 -8.947 1.408 -11.926 375 HB3 ARG 48 1HB ARG 48 -7.728 1.407 -13.203 376 HG2 ARG 48 2HG ARG 48 -8.949 3.306 -14.245 377 HG3 ARG 48 1HG ARG 48 -10.030 3.311 -12.845 378 HD2 ARG 48 2HD ARG 48 -8.113 3.637 -11.391 379 HD3 ARG 48 1HD ARG 48 -7.051 3.703 -12.792 380 HE ARG 48 HE ARG 48 -9.247 5.610 -12.648 381 HH11 ARG 48 1HH1 ARG 48 -5.778 5.024 -12.356 382 HH12 ARG 48 2HH1 ARG 48 -5.337 6.668 -12.367 383 HH21 ARG 48 1HH2 ARG 48 -8.678 7.831 -12.633 384 HH22 ARG 48 2HH2 ARG 48 -7.047 8.347 -12.563 385 H GLY 49 H GLY 49 -10.692 -1.410 -12.747 386 HA2 GLY 49 2HA GLY 49 -10.126 -3.591 -13.867 387 HA3 GLY 49 1HA GLY 49 -8.458 -3.073 -13.764 388 H VAL 50 H VAL 50 -10.223 -2.242 -10.982 389 HA VAL 50 HA VAL 50 -8.985 -4.396 -9.524 390 HB VAL 50 HB VAL 50 -10.870 -2.212 -8.554 391 HG11 VAL 50 1HG1 VAL 50 -10.085 -2.772 -6.303 392 HG12 VAL 50 2HG1 VAL 50 -9.133 -4.101 -6.968 393 HG13 VAL 50 3HG1 VAL 50 -10.893 -4.141 -7.070 394 HG21 VAL 50 3HG2 VAL 50 -8.797 -1.260 -9.386 395 HG22 VAL 50 1HG2 VAL 50 -7.857 -2.384 -8.406 396 HG23 VAL 50 2HG2 VAL 50 -8.834 -1.155 -7.624 397 H ILE 51 H ILE 51 -9.930 -6.267 -9.153 398 HA ILE 51 HA ILE 51 -12.751 -6.546 -9.886 399 HB ILE 51 HB ILE 51 -12.296 -8.981 -10.089 400 HG12 ILE 51 2HG1 ILE 51 -9.395 -8.195 -9.646 401 HG13 ILE 51 1HG1 ILE 51 -10.385 -9.103 -8.514 402 HG21 ILE 51 1HG2 ILE 51 -10.521 -7.206 -11.756 403 HG22 ILE 51 2HG2 ILE 51 -12.214 -7.581 -12.064 404 HG23 ILE 51 3HG2 ILE 51 -10.997 -8.851 -12.179 405 HD11 ILE 51 3HD1 ILE 51 -9.557 -10.006 -11.266 406 HD12 ILE 51 1HD1 ILE 51 -10.561 -10.924 -10.143 407 HD13 ILE 51 2HD1 ILE 51 -8.882 -10.563 -9.739 408 H VAL 52 H VAL 52 -14.098 -7.931 -8.603 409 HA VAL 52 HA VAL 52 -13.454 -7.662 -5.751 410 HB VAL 52 HB VAL 52 -16.126 -8.311 -7.022 411 HG11 VAL 52 1HG1 VAL 52 -17.076 -7.635 -4.871 412 HG12 VAL 52 2HG1 VAL 52 -15.452 -7.353 -4.246 413 HG13 VAL 52 3HG1 VAL 52 -15.948 -8.983 -4.694 414 HG21 VAL 52 3HG2 VAL 52 -15.424 -6.116 -7.789 415 HG22 VAL 52 1HG2 VAL 52 -15.105 -5.618 -6.132 416 HG23 VAL 52 2HG2 VAL 52 -16.756 -5.967 -6.639 417 H ARG 53 H ARG 53 -13.040 -9.510 -4.616 418 HA ARG 53 HA ARG 53 -14.047 -12.001 -5.787 419 HB2 ARG 53 2HB ARG 53 -11.613 -11.700 -6.327 420 HB3 ARG 53 1HB ARG 53 -11.284 -11.724 -4.601 421 HG2 ARG 53 2HG ARG 53 -12.316 -13.998 -4.514 422 HG3 ARG 53 1HG ARG 53 -12.404 -13.964 -6.275 423 HD2 ARG 53 2HD ARG 53 -9.962 -13.624 -6.349 424 HD3 ARG 53 1HD ARG 53 -9.917 -13.765 -4.592 425 HE ARG 53 HE ARG 53 -10.365 -15.869 -6.534 426 HH11 ARG 53 1HH1 ARG 53 -10.416 -15.006 -3.092 427 HH12 ARG 53 2HH1 ARG 53 -10.124 -16.588 -2.537 428 HH21 ARG 53 1HH2 ARG 53 -9.945 -18.070 -5.751 429 HH22 ARG 53 2HH2 ARG 53 -9.890 -18.354 -4.070 430 H ALA 54 H ALA 54 -14.733 -13.483 -4.347 431 HA ALA 54 HA ALA 54 -14.989 -12.617 -1.597 432 HB1 ALA 54 1HB ALA 54 -16.175 -14.986 -3.059 433 HB2 ALA 54 2HB ALA 54 -16.989 -13.454 -2.752 434 HB3 ALA 54 3HB ALA 54 -16.554 -14.505 -1.406 435 H PHE 55 H PHE 55 -14.459 -14.094 0.098 436 HA PHE 55 HA PHE 55 -11.956 -15.428 -0.364 437 HB2 PHE 55 2HB PHE 55 -12.327 -14.044 1.629 438 HB3 PHE 55 1HB PHE 55 -13.648 -15.090 2.123 439 HD1 PHE 55 1HD PHE 55 -10.170 -15.738 0.948 440 HD2 PHE 55 2HD PHE 55 -13.075 -16.207 4.002 441 HE1 PHE 55 1HE PHE 55 -8.579 -17.072 2.250 442 HE2 PHE 55 2HE PHE 55 -11.507 -17.547 5.298 443 HZ PHE 55 HZ PHE 55 -9.248 -17.988 4.435 444 H SER 56 H SER 56 -11.815 -17.517 -0.979 445 HA SER 56 HA SER 56 -14.261 -19.096 -0.969 446 HB2 SER 56 2HB SER 56 -11.608 -19.570 -2.306 447 HB3 SER 56 1HB SER 56 -13.134 -20.392 -2.667 448 HG SER 56 HG SER 56 -13.716 -17.933 -2.801 449 H HIS 57 H HIS 57 -11.230 -18.943 0.531 450 HA HIS 57 HA HIS 57 -11.042 -21.678 1.445 451 HB2 HIS 57 2HB HIS 57 -9.135 -20.098 0.893 452 HB3 HIS 57 1HB HIS 57 -9.561 -19.180 2.313 453 HD1 HIS 57 1HD HIS 57 -7.715 -22.147 1.153 454 HD2 HIS 57 2HD HIS 57 -8.785 -20.411 4.767 455 HE1 HIS 57 1HE HIS 57 -6.198 -23.166 2.870 456 HE2 HIS 57 2HE HIS 57 -6.733 -21.908 5.000 457 H LYS 58 H LYS 58 -10.879 -22.035 3.950 458 HA LYS 58 HA LYS 58 -13.240 -20.955 5.175 459 HB2 LYS 58 2HB LYS 58 -11.153 -22.867 6.217 460 HB3 LYS 58 1HB LYS 58 -12.657 -22.477 7.042 461 HG2 LYS 58 2HG LYS 58 -13.937 -23.404 5.218 462 HG3 LYS 58 1HG LYS 58 -12.465 -23.716 4.308 463 HD2 LYS 58 2HD LYS 58 -11.722 -25.219 6.129 464 HD3 LYS 58 1HD LYS 58 -13.269 -24.958 6.929 465 HE2 LYS 58 2HE LYS 58 -14.457 -25.880 5.032 466 HE3 LYS 58 1HE LYS 58 -12.947 -26.066 4.148 467 HZ1 LYS 58 3HZ LYS 58 -13.683 -27.511 6.638 468 HZ2 LYS 58 1HZ LYS 58 -12.215 -27.659 5.811 469 HZ3 LYS 58 2HZ LYS 58 -13.652 -28.141 5.081 470 HA PRO 59 HA PRO 59 -11.110 -17.590 7.149 471 HB2 PRO 59 2HB PRO 59 -13.123 -16.665 8.658 472 HB3 PRO 59 1HB PRO 59 -13.120 -16.500 6.900 473 HG2 PRO 59 2HG PRO 59 -14.559 -18.492 8.609 474 HG3 PRO 59 1HG PRO 59 -15.153 -17.599 7.197 475 HD2 PRO 59 2HD PRO 59 -14.289 -20.189 7.092 476 HD3 PRO 59 1HD PRO 59 -14.200 -19.067 5.719 477 HA PRO 60 HA PRO 60 -9.851 -19.304 11.133 478 HB2 PRO 60 2HB PRO 60 -7.808 -17.195 10.903 479 HB3 PRO 60 1HB PRO 60 -7.596 -18.943 11.053 480 HG2 PRO 60 2HG PRO 60 -7.046 -17.703 8.765 481 HG3 PRO 60 1HG PRO 60 -7.814 -19.298 8.780 482 HD2 PRO 60 2HD PRO 60 -9.108 -16.607 8.432 483 HD3 PRO 60 1HD PRO 60 -9.291 -18.103 7.469 484 H LYS 61 H LYS 61 -9.243 -18.122 13.199 485 HA LYS 61 HA LYS 61 -11.358 -16.242 13.764 486 HB2 LYS 61 2HB LYS 61 -9.328 -17.508 15.585 487 HB3 LYS 61 1HB LYS 61 -10.758 -16.624 16.084 488 HG2 LYS 61 2HG LYS 61 -12.190 -18.326 15.152 489 HG3 LYS 61 1HG LYS 61 -10.789 -19.181 14.499 490 HD2 LYS 61 2HD LYS 61 -9.932 -19.473 16.779 491 HD3 LYS 61 1HD LYS 61 -11.373 -18.666 17.399 492 HE2 LYS 61 2HE LYS 61 -12.769 -20.427 16.451 493 HE3 LYS 61 1HE LYS 61 -11.337 -21.221 15.801 494 HZ1 LYS 61 3HZ LYS 61 -10.526 -21.514 18.057 495 HZ2 LYS 61 1HZ LYS 61 -12.040 -22.237 17.861 496 HZ3 LYS 61 2HZ LYS 61 -11.898 -20.764 18.675 497 H VAL 62 H VAL 62 -11.113 -14.131 14.258 498 HA VAL 62 HA VAL 62 -8.499 -13.065 14.927 499 HB VAL 62 HB VAL 62 -9.037 -10.988 13.568 500 HG11 VAL 62 1HG1 VAL 62 -7.378 -12.569 12.767 501 HG12 VAL 62 2HG1 VAL 62 -8.285 -11.891 11.418 502 HG13 VAL 62 3HG1 VAL 62 -8.636 -13.528 11.987 503 HG21 VAL 62 3HG2 VAL 62 -11.425 -11.354 13.250 504 HG22 VAL 62 1HG2 VAL 62 -11.093 -12.795 12.288 505 HG23 VAL 62 2HG2 VAL 62 -10.617 -11.205 11.692 506 H GLY 63 H GLY 63 -8.615 -11.343 16.353 507 HA2 GLY 63 2HA GLY 63 -11.325 -10.817 17.397 508 HA3 GLY 63 1HA GLY 63 -9.904 -10.947 18.427 509 H ASN 64 H ASN 64 -8.074 -9.494 17.263 510 HA ASN 64 HA ASN 64 -8.680 -6.856 17.939 511 HB2 ASN 64 2HB ASN 64 -6.467 -6.262 16.954 512 HB3 ASN 64 1HB ASN 64 -6.377 -7.637 18.041 513 HD21 ASN 64 1HD2 ASN 64 -4.663 -6.701 15.692 514 HD22 ASN 64 2HD2 ASN 64 -4.535 -8.098 14.711 515 H LEU 65 H LEU 65 -8.457 -8.383 14.804 516 HA LEU 65 HA LEU 65 -9.029 -5.856 13.514 517 HB2 LEU 65 2HB LEU 65 -8.333 -8.527 12.356 518 HB3 LEU 65 1HB LEU 65 -8.539 -7.049 11.435 519 HG LEU 65 HG LEU 65 -6.382 -7.643 13.450 520 HD11 LEU 65 1HD1 LEU 65 -4.899 -7.485 11.570 521 HD12 LEU 65 2HD1 LEU 65 -6.260 -7.141 10.501 522 HD13 LEU 65 3HD1 LEU 65 -6.132 -8.716 11.287 523 HD21 LEU 65 3HD2 LEU 65 -5.441 -5.429 12.793 524 HD22 LEU 65 1HD2 LEU 65 -6.972 -5.306 13.663 525 HD23 LEU 65 2HD2 LEU 65 -6.936 -5.100 11.918 526 HA PRO 66 HA PRO 66 -13.308 -6.893 12.699 527 HB2 PRO 66 2HB PRO 66 -12.880 -5.265 10.272 528 HB3 PRO 66 1HB PRO 66 -14.058 -5.037 11.560 529 HG2 PRO 66 2HG PRO 66 -11.969 -3.412 11.297 530 HG3 PRO 66 1HG PRO 66 -12.587 -3.887 12.889 531 HD2 PRO 66 2HD PRO 66 -10.180 -4.862 11.422 532 HD3 PRO 66 1HD PRO 66 -10.411 -4.528 13.157 533 H GLN 67 H GLN 67 -14.421 -8.119 11.134 534 HA GLN 67 HA GLN 67 -12.895 -10.017 9.774 535 HB2 GLN 67 2HB GLN 67 -15.218 -10.398 10.586 536 HB3 GLN 67 1HB GLN 67 -15.807 -9.370 9.287 537 HG2 GLN 67 2HG GLN 67 -14.822 -10.918 7.642 538 HG3 GLN 67 1HG GLN 67 -14.316 -11.967 8.964 539 HE21 GLN 67 1HE2 GLN 67 -16.114 -12.524 6.725 540 HE22 GLN 67 2HE2 GLN 67 -17.581 -13.016 7.454 541 H TYR 68 H TYR 68 -14.357 -6.994 8.683 542 HA TYR 68 HA TYR 68 -13.943 -7.560 5.973 543 HB2 TYR 68 2HB TYR 68 -14.107 -5.052 5.533 544 HB3 TYR 68 1HB TYR 68 -15.480 -5.814 6.304 545 HD1 TYR 68 2HD TYR 68 -12.378 -3.920 7.240 546 HD2 TYR 68 1HD TYR 68 -16.465 -4.737 8.067 547 HE1 TYR 68 2HE TYR 68 -12.375 -2.181 8.972 548 HE2 TYR 68 1HE TYR 68 -16.471 -2.999 9.795 549 HH TYR 68 HH TYR 68 -15.030 -1.833 11.153 550 H GLU 69 H GLU 69 -11.690 -6.126 8.264 551 HA GLU 69 HA GLU 69 -9.654 -5.597 6.324 552 HB2 GLU 69 2HB GLU 69 -9.345 -6.252 9.274 553 HB3 GLU 69 1HB GLU 69 -8.120 -5.533 8.250 554 HG2 GLU 69 2HG GLU 69 -10.730 -4.229 9.016 555 HG3 GLU 69 1HG GLU 69 -9.185 -3.948 9.802 556 H SER 70 H SER 70 -10.511 -8.254 8.430 557 HA SER 70 HA SER 70 -8.297 -9.893 7.889 558 HB2 SER 70 2HB SER 70 -11.019 -10.679 8.916 559 HB3 SER 70 1HB SER 70 -9.521 -11.600 9.088 560 HG SER 70 HG SER 70 -10.290 -9.193 10.337 561 H GLU 71 H GLU 71 -11.408 -9.559 6.251 562 HA GLU 71 HA GLU 71 -11.179 -11.901 4.702 563 HB2 GLU 71 2HB GLU 71 -13.324 -10.647 4.924 564 HB3 GLU 71 1HB GLU 71 -12.635 -9.329 3.986 565 HG2 GLU 71 2HG GLU 71 -12.463 -10.744 2.036 566 HG3 GLU 71 1HG GLU 71 -12.996 -12.141 2.963 567 H ALA 72 H ALA 72 -10.083 -8.590 4.264 568 HA ALA 72 HA ALA 72 -9.003 -8.916 1.675 569 HB1 ALA 72 1HB ALA 72 -8.086 -7.071 3.880 570 HB2 ALA 72 2HB ALA 72 -9.365 -6.719 2.715 571 HB3 ALA 72 3HB ALA 72 -7.696 -6.914 2.167 572 H ILE 73 H ILE 73 -7.557 -9.199 4.869 573 HA ILE 73 HA ILE 73 -4.981 -9.996 4.198 574 HB ILE 73 HB ILE 73 -6.674 -10.963 6.514 575 HG12 ILE 73 2HG1 ILE 73 -4.646 -8.729 6.343 576 HG13 ILE 73 1HG1 ILE 73 -6.388 -8.533 6.471 577 HG21 ILE 73 1HG2 ILE 73 -3.678 -11.136 6.159 578 HG22 ILE 73 2HG2 ILE 73 -4.809 -12.487 6.179 579 HG23 ILE 73 3HG2 ILE 73 -4.555 -11.529 7.639 580 HD11 ILE 73 3HD1 ILE 73 -5.288 -8.145 8.602 581 HD12 ILE 73 1HD1 ILE 73 -4.591 -9.762 8.545 582 HD13 ILE 73 2HD1 ILE 73 -6.336 -9.559 8.688 583 H MET 74 H MET 74 -7.820 -12.030 4.735 584 HA MET 74 HA MET 74 -6.362 -14.332 4.141 585 HB2 MET 74 2HB MET 74 -9.172 -13.811 4.865 586 HB3 MET 74 1HB MET 74 -8.715 -15.402 4.241 587 HG2 MET 74 2HG MET 74 -7.284 -14.022 6.476 588 HG3 MET 74 1HG MET 74 -8.594 -15.181 6.713 589 HE1 MET 74 3HE MET 74 -4.846 -16.784 7.386 590 HE2 MET 74 1HE MET 74 -6.186 -16.000 8.235 591 HE3 MET 74 2HE MET 74 -5.084 -15.043 7.240 592 H VAL 75 H VAL 75 -8.393 -12.362 2.084 593 HA VAL 75 HA VAL 75 -8.361 -14.295 0.004 594 HB VAL 75 HB VAL 75 -8.703 -11.264 -0.162 595 HG11 VAL 75 1HG1 VAL 75 -7.855 -12.128 -2.315 596 HG12 VAL 75 2HG1 VAL 75 -9.534 -11.606 -2.451 597 HG13 VAL 75 3HG1 VAL 75 -9.150 -13.324 -2.339 598 HG21 VAL 75 3HG2 VAL 75 -11.070 -11.847 -0.586 599 HG22 VAL 75 1HG2 VAL 75 -10.505 -12.399 0.995 600 HG23 VAL 75 2HG2 VAL 75 -10.666 -13.540 -0.339 601 H ALA 76 H ALA 76 -6.167 -11.796 1.042 602 HA ALA 76 HA ALA 76 -4.323 -12.075 -1.091 603 HB1 ALA 76 1HB ALA 76 -2.767 -10.856 0.320 604 HB2 ALA 76 2HB ALA 76 -3.812 -11.109 1.717 605 HB3 ALA 76 3HB ALA 76 -4.361 -10.102 0.378 606 H PHE 77 H PHE 77 -4.744 -13.679 1.974 607 HA PHE 77 HA PHE 77 -2.337 -15.189 1.893 608 HB2 PHE 77 2HB PHE 77 -3.651 -14.853 3.977 609 HB3 PHE 77 1HB PHE 77 -4.948 -15.826 3.302 610 HD1 PHE 77 1HD PHE 77 -1.545 -15.893 4.673 611 HD2 PHE 77 2HD PHE 77 -4.814 -18.234 3.280 612 HE1 PHE 77 1HE PHE 77 -0.517 -17.902 5.643 613 HE2 PHE 77 2HE PHE 77 -3.787 -20.248 4.246 614 HZ PHE 77 HZ PHE 77 -1.635 -20.083 5.432 615 H GLU 78 H GLU 78 -5.676 -15.921 0.979 616 HA GLU 78 HA GLU 78 -5.268 -18.534 0.182 617 HB2 GLU 78 2HB GLU 78 -7.482 -17.893 0.558 618 HB3 GLU 78 1HB GLU 78 -7.381 -16.522 -0.537 619 HG2 GLU 78 2HG GLU 78 -7.443 -17.922 -2.441 620 HG3 GLU 78 1HG GLU 78 -7.174 -19.364 -1.473 621 H LEU 79 H LEU 79 -5.101 -15.584 -1.734 622 HA LEU 79 HA LEU 79 -4.458 -17.050 -4.156 623 HB2 LEU 79 2HB LEU 79 -4.464 -14.096 -3.569 624 HB3 LEU 79 1HB LEU 79 -4.217 -14.801 -5.150 625 HG LEU 79 HG LEU 79 -6.750 -15.024 -3.525 626 HD11 LEU 79 1HD1 LEU 79 -6.366 -12.755 -4.324 627 HD12 LEU 79 2HD1 LEU 79 -7.687 -13.520 -5.210 628 HD13 LEU 79 3HD1 LEU 79 -6.098 -13.363 -5.959 629 HD21 LEU 79 3HD2 LEU 79 -6.086 -15.896 -6.334 630 HD22 LEU 79 1HD2 LEU 79 -7.698 -15.916 -5.613 631 HD23 LEU 79 2HD2 LEU 79 -6.432 -16.949 -4.957 632 H ASN 80 H ASN 80 -2.800 -15.815 -1.501 633 HA ASN 80 HA ASN 80 -0.725 -15.247 -0.951 634 HB2 ASN 80 2HB ASN 80 -0.152 -17.576 -1.709 635 HB3 ASN 80 1HB ASN 80 0.160 -16.942 -3.324 636 HD21 ASN 80 1HD2 ASN 80 1.280 -17.064 -0.029 637 HD22 ASN 80 2HD2 ASN 80 2.877 -16.510 -0.336 638 H ALA 81 H ALA 81 -1.558 -13.293 -1.539 639 HA ALA 81 HA ALA 81 -0.450 -12.117 -3.984 640 HB1 ALA 81 1HB ALA 81 -2.348 -10.644 -3.974 641 HB2 ALA 81 2HB ALA 81 -2.894 -11.311 -2.441 642 HB3 ALA 81 3HB ALA 81 -2.907 -12.319 -3.888 643 H LEU 82 H LEU 82 -0.491 -9.661 -3.690 644 HA LEU 82 HA LEU 82 1.232 -9.014 -1.443 645 HB2 LEU 82 2HB LEU 82 1.584 -8.450 -3.946 646 HB3 LEU 82 1HB LEU 82 0.295 -7.288 -3.755 647 HG LEU 82 HG LEU 82 2.455 -6.214 -3.759 648 HD11 LEU 82 1HD1 LEU 82 0.816 -5.135 -2.433 649 HD12 LEU 82 2HD1 LEU 82 2.405 -4.985 -1.672 650 HD13 LEU 82 3HD1 LEU 82 1.224 -6.132 -1.033 651 HD21 LEU 82 3HD2 LEU 82 3.138 -7.936 -1.384 652 HD22 LEU 82 1HD2 LEU 82 4.118 -6.610 -2.018 653 HD23 LEU 82 2HD2 LEU 82 3.820 -8.039 -3.009 654 H LEU 83 H LEU 83 0.235 -8.116 0.374 655 HA LEU 83 HA LEU 83 -2.517 -7.219 0.002 656 HB2 LEU 83 2HB LEU 83 -2.140 -8.913 1.753 657 HB3 LEU 83 1HB LEU 83 -1.051 -7.814 2.572 658 HG LEU 83 HG LEU 83 -2.957 -6.223 2.870 659 HD11 LEU 83 1HD1 LEU 83 -5.227 -7.027 2.578 660 HD12 LEU 83 2HD1 LEU 83 -4.618 -8.513 1.855 661 HD13 LEU 83 3HD1 LEU 83 -4.368 -6.969 1.041 662 HD21 LEU 83 3HD2 LEU 83 -4.098 -7.556 4.618 663 HD22 LEU 83 1HD2 LEU 83 -2.338 -7.638 4.700 664 HD23 LEU 83 2HD2 LEU 83 -3.241 -8.983 4.018 665 H ILE 84 H ILE 84 -3.047 -5.206 0.088 666 HA ILE 84 HA ILE 84 -1.013 -3.298 0.957 667 HB ILE 84 HB ILE 84 -3.296 -2.844 -0.991 668 HG12 ILE 84 2HG1 ILE 84 -0.356 -3.288 -1.576 669 HG13 ILE 84 1HG1 ILE 84 -1.612 -4.488 -1.829 670 HG21 ILE 84 1HG2 ILE 84 -0.852 -1.225 -0.271 671 HG22 ILE 84 2HG2 ILE 84 -2.523 -0.831 0.148 672 HG23 ILE 84 3HG2 ILE 84 -2.003 -0.824 -1.542 673 HD11 ILE 84 3HD1 ILE 84 -2.653 -3.059 -3.497 674 HD12 ILE 84 1HD1 ILE 84 -0.969 -3.384 -3.899 675 HD13 ILE 84 2HD1 ILE 84 -1.430 -1.822 -3.215 676 H ALA 85 H ALA 85 -1.491 -2.332 2.805 677 HA ALA 85 HA ALA 85 -4.252 -1.715 3.485 678 HB1 ALA 85 1HB ALA 85 -3.838 -3.896 4.514 679 HB2 ALA 85 2HB ALA 85 -3.985 -2.638 5.742 680 HB3 ALA 85 3HB ALA 85 -2.391 -3.258 5.299 681 H GLU 86 H GLU 86 -4.379 -0.062 5.066 682 HA GLU 86 HA GLU 86 -1.965 1.589 5.142 683 HB2 GLU 86 2HB GLU 86 -4.876 2.196 5.324 684 HB3 GLU 86 1HB GLU 86 -3.708 3.377 5.877 685 HG2 GLU 86 2HG GLU 86 -3.713 2.165 3.123 686 HG3 GLU 86 1HG GLU 86 -4.515 3.680 3.534 687 H ASP 87 H ASP 87 -3.894 -0.323 7.173 688 HA ASP 87 HA ASP 87 -3.063 1.126 9.568 689 HB2 ASP 87 2HB ASP 87 -5.394 0.421 9.537 690 HB3 ASP 87 1HB ASP 87 -4.912 -1.249 9.256 691 H LYS 88 H LYS 88 -1.478 0.462 10.838 692 HA LYS 88 HA LYS 88 0.360 -1.402 9.801 693 HB2 LYS 88 2HB LYS 88 0.967 0.667 10.929 694 HB3 LYS 88 1HB LYS 88 0.334 0.037 12.440 695 HG2 LYS 88 2HG LYS 88 2.000 -1.801 12.303 696 HG3 LYS 88 1HG LYS 88 2.679 -1.019 10.880 697 HD2 LYS 88 2HD LYS 88 2.395 0.273 13.567 698 HD3 LYS 88 1HD LYS 88 3.887 -0.491 12.998 699 HE2 LYS 88 2HE LYS 88 3.902 1.121 11.108 700 HE3 LYS 88 1HE LYS 88 2.474 1.898 11.796 701 HZ1 LYS 88 3HZ LYS 88 5.124 1.672 13.093 702 HZ2 LYS 88 1HZ LYS 88 3.756 2.371 13.788 703 HZ3 LYS 88 2HZ LYS 88 4.448 3.073 12.428 704 H ASP 89 H ASP 89 -2.236 -1.778 12.154 705 HA ASP 89 HA ASP 89 -0.909 -4.069 13.322 706 HB2 ASP 89 2HB ASP 89 -2.380 -2.645 14.756 707 HB3 ASP 89 1HB ASP 89 -3.755 -3.132 13.764 708 H VAL 90 H VAL 90 -3.445 -3.339 11.072 709 HA VAL 90 HA VAL 90 -4.259 -5.954 10.419 710 HB VAL 90 HB VAL 90 -3.973 -3.560 8.553 711 HG11 VAL 90 1HG1 VAL 90 -5.607 -6.076 8.184 712 HG12 VAL 90 2HG1 VAL 90 -4.133 -5.670 7.307 713 HG13 VAL 90 3HG1 VAL 90 -5.582 -4.688 7.096 714 HG21 VAL 90 3HG2 VAL 90 -6.346 -3.212 8.934 715 HG22 VAL 90 1HG2 VAL 90 -5.459 -3.148 10.457 716 HG23 VAL 90 2HG2 VAL 90 -6.387 -4.591 10.026 717 H ILE 91 H ILE 91 -1.730 -3.932 9.052 718 HA ILE 91 HA ILE 91 -0.568 -5.696 7.247 719 HB ILE 91 HB ILE 91 0.664 -3.465 8.879 720 HG12 ILE 91 2HG1 ILE 91 -0.202 -3.533 5.988 721 HG13 ILE 91 1HG1 ILE 91 -1.173 -2.896 7.308 722 HG21 ILE 91 1HG2 ILE 91 1.870 -4.895 6.505 723 HG22 ILE 91 2HG2 ILE 91 2.456 -4.959 8.163 724 HG23 ILE 91 3HG2 ILE 91 2.515 -3.441 7.267 725 HD11 ILE 91 3HD1 ILE 91 -0.065 -1.135 6.063 726 HD12 ILE 91 1HD1 ILE 91 1.501 -1.855 6.422 727 HD13 ILE 91 2HD1 ILE 91 0.516 -1.192 7.727 728 H ASN 92 H ASN 92 0.220 -5.128 10.647 729 HA ASN 92 HA ASN 92 2.355 -6.939 10.812 730 HB2 ASN 92 2HB ASN 92 1.997 -5.211 12.503 731 HB3 ASN 92 1HB ASN 92 0.504 -5.988 13.007 732 HD21 ASN 92 1HD2 ASN 92 0.606 -7.783 14.353 733 HD22 ASN 92 2HD2 ASN 92 2.084 -8.332 15.043 734 H LYS 93 H LYS 93 -1.073 -7.367 11.649 735 HA LYS 93 HA LYS 93 -0.907 -9.962 12.687 736 HB2 LYS 93 2HB LYS 93 -2.820 -8.091 12.506 737 HB3 LYS 93 1HB LYS 93 -3.315 -9.103 11.167 738 HG2 LYS 93 2HG LYS 93 -3.065 -9.911 14.063 739 HG3 LYS 93 1HG LYS 93 -4.552 -9.665 13.171 740 HD2 LYS 93 2HD LYS 93 -4.003 -11.579 11.743 741 HD3 LYS 93 1HD LYS 93 -2.501 -11.820 12.642 742 HE2 LYS 93 2HE LYS 93 -3.932 -12.016 14.716 743 HE3 LYS 93 1HE LYS 93 -5.319 -12.050 13.638 744 HZ1 LYS 93 3HZ LYS 93 -4.435 -14.054 12.621 745 HZ2 LYS 93 1HZ LYS 93 -4.632 -14.231 14.278 746 HZ3 LYS 93 2HZ LYS 93 -3.089 -14.003 13.665 747 H ALA 94 H ALA 94 -1.585 -8.754 9.437 748 HA ALA 94 HA ALA 94 -2.015 -11.209 8.155 749 HB1 ALA 94 1HB ALA 94 -1.647 -9.972 6.094 750 HB2 ALA 94 2HB ALA 94 -0.927 -8.648 7.006 751 HB3 ALA 94 3HB ALA 94 -2.634 -9.035 7.215 752 H LYS 95 H LYS 95 0.902 -9.316 8.698 753 HA LYS 95 HA LYS 95 2.505 -10.952 7.053 754 HB2 LYS 95 2HB LYS 95 2.984 -8.590 7.520 755 HB3 LYS 95 1HB LYS 95 3.369 -9.000 9.180 756 HG2 LYS 95 2HG LYS 95 5.312 -10.188 8.551 757 HG3 LYS 95 1HG LYS 95 4.838 -10.205 6.854 758 HD2 LYS 95 2HD LYS 95 5.507 -7.713 8.421 759 HD3 LYS 95 1HD LYS 95 6.639 -8.576 7.377 760 HE2 LYS 95 2HE LYS 95 5.112 -8.204 5.459 761 HE3 LYS 95 1HE LYS 95 4.037 -7.289 6.506 762 HZ1 LYS 95 3HZ LYS 95 5.401 -5.807 5.260 763 HZ2 LYS 95 1HZ LYS 95 6.826 -6.543 5.796 764 HZ3 LYS 95 2HZ LYS 95 5.847 -5.710 6.872 765 H GLU 96 H GLU 96 1.715 -11.017 10.447 766 HA GLU 96 HA GLU 96 3.558 -12.971 11.327 767 HB2 GLU 96 2HB GLU 96 0.689 -12.598 12.190 768 HB3 GLU 96 1HB GLU 96 1.901 -13.513 13.059 769 HG2 GLU 96 2HG GLU 96 3.151 -11.463 13.472 770 HG3 GLU 96 1HG GLU 96 1.937 -10.548 12.569 771 H LEU 97 H LEU 97 0.543 -13.132 9.620 772 HA LEU 97 HA LEU 97 0.265 -15.990 9.808 773 HB2 LEU 97 2HB LEU 97 -1.250 -13.984 8.141 774 HB3 LEU 97 1HB LEU 97 -1.685 -15.668 8.341 775 HG LEU 97 HG LEU 97 -1.625 -13.623 10.563 776 HD11 LEU 97 1HD1 LEU 97 -4.053 -13.768 10.508 777 HD12 LEU 97 2HD1 LEU 97 -3.960 -14.829 9.103 778 HD13 LEU 97 3HD1 LEU 97 -3.405 -13.158 8.987 779 HD21 LEU 97 3HD2 LEU 97 -2.794 -15.348 11.865 780 HD22 LEU 97 1HD2 LEU 97 -1.183 -15.878 11.379 781 HD23 LEU 97 2HD2 LEU 97 -2.604 -16.478 10.526 782 H GLY 98 H GLY 98 2.050 -13.926 7.883 783 HA2 GLY 98 2HA GLY 98 3.703 -14.897 6.441 784 HA3 GLY 98 1HA GLY 98 2.540 -16.146 6.024 785 H VAL 99 H VAL 99 1.160 -13.047 6.104 786 HA VAL 99 HA VAL 99 1.161 -13.006 3.184 787 HB VAL 99 HB VAL 99 -0.511 -11.378 5.108 788 HG11 VAL 99 1HG1 VAL 99 -1.959 -10.971 3.175 789 HG12 VAL 99 2HG1 VAL 99 -0.848 -11.889 2.158 790 HG13 VAL 99 3HG1 VAL 99 -0.319 -10.378 2.902 791 HG21 VAL 99 3HG2 VAL 99 -2.365 -12.909 4.608 792 HG22 VAL 99 1HG2 VAL 99 -1.021 -13.728 5.411 793 HG23 VAL 99 2HG2 VAL 99 -1.258 -13.917 3.671 794 H ASN 100 H ASN 100 2.340 -11.522 2.126 795 HA ASN 100 HA ASN 100 3.818 -9.627 3.693 796 HB2 ASN 100 2HB ASN 100 4.896 -10.720 1.722 797 HB3 ASN 100 1HB ASN 100 3.731 -9.920 0.684 798 HD21 ASN 100 1HD2 ASN 100 5.417 -8.921 -0.407 799 HD22 ASN 100 2HD2 ASN 100 6.242 -7.540 0.206 800 H ALA 101 H ALA 101 2.368 -8.356 4.540 801 HA ALA 101 HA ALA 101 0.728 -6.670 2.818 802 HB1 ALA 101 1HB ALA 101 0.810 -6.921 5.823 803 HB2 ALA 101 2HB ALA 101 -0.318 -7.750 4.762 804 HB3 ALA 101 3HB ALA 101 -0.360 -5.985 4.883 805 H ILE 102 H ILE 102 1.170 -4.562 2.588 806 HA ILE 102 HA ILE 102 3.121 -3.363 4.325 807 HB ILE 102 HB ILE 102 4.183 -2.233 2.249 808 HG12 ILE 102 2HG1 ILE 102 4.381 -3.816 0.268 809 HG13 ILE 102 1HG1 ILE 102 3.018 -4.696 0.942 810 HG21 ILE 102 1HG2 ILE 102 4.851 -5.065 2.936 811 HG22 ILE 102 2HG2 ILE 102 5.450 -3.598 3.707 812 HG23 ILE 102 3HG2 ILE 102 5.889 -3.959 2.036 813 HD11 ILE 102 3HD1 ILE 102 2.341 -3.169 -0.838 814 HD12 ILE 102 1HD1 ILE 102 3.010 -1.826 0.090 815 HD13 ILE 102 2HD1 ILE 102 1.626 -2.726 0.713 816 HA PRO 103 HA PRO 103 0.523 0.235 4.082 817 HB2 PRO 103 2HB PRO 103 2.984 1.873 3.949 818 HB3 PRO 103 1HB PRO 103 1.697 1.893 5.152 819 HG2 PRO 103 2HG PRO 103 4.122 0.878 5.693 820 HG3 PRO 103 1HG PRO 103 2.639 0.206 6.391 821 HD2 PRO 103 2HD PRO 103 4.322 -0.857 4.160 822 HD3 PRO 103 1HD PRO 103 3.426 -1.714 5.423 823 H ILE 104 H ILE 104 -0.100 1.889 2.604 824 HA ILE 104 HA ILE 104 0.245 1.244 -0.051 825 HB ILE 104 HB ILE 104 -1.038 3.445 1.412 826 HG12 ILE 104 2HG1 ILE 104 -1.866 1.365 -0.584 827 HG13 ILE 104 1HG1 ILE 104 -2.103 1.400 1.161 828 HG21 ILE 104 1HG2 ILE 104 -1.812 4.550 -0.693 829 HG22 ILE 104 2HG2 ILE 104 -0.519 3.688 -1.551 830 HG23 ILE 104 3HG2 ILE 104 -0.129 4.827 -0.275 831 HD11 ILE 104 3HD1 ILE 104 -4.089 1.876 -0.244 832 HD12 ILE 104 1HD1 ILE 104 -3.309 3.364 -0.735 833 HD13 ILE 104 2HD1 ILE 104 -3.714 3.105 0.973 834 H GLU 105 H GLU 105 1.861 3.753 1.701 835 HA GLU 105 HA GLU 105 3.067 4.720 -0.694 836 HB2 GLU 105 2HB GLU 105 3.864 5.306 2.145 837 HB3 GLU 105 1HB GLU 105 4.423 6.180 0.723 838 HG2 GLU 105 2HG GLU 105 2.133 6.835 0.215 839 HG3 GLU 105 1HG GLU 105 1.575 5.974 1.645 840 H GLU 106 H GLU 106 3.832 2.155 1.386 841 HA GLU 106 HA GLU 106 6.585 1.918 0.580 842 HB2 GLU 106 2HB GLU 106 4.695 -0.072 1.852 843 HB3 GLU 106 1HB GLU 106 6.415 -0.345 1.615 844 HG2 GLU 106 2HG GLU 106 5.250 1.866 3.296 845 HG3 GLU 106 1HG GLU 106 5.823 0.322 3.923 846 H LEU 107 H LEU 107 3.451 0.723 -0.404 847 HA LEU 107 HA LEU 107 4.317 -1.054 -2.433 848 HB2 LEU 107 2HB LEU 107 1.968 -0.967 -1.464 849 HB3 LEU 107 1HB LEU 107 1.736 0.542 -2.291 850 HG LEU 107 HG LEU 107 0.637 -1.509 -3.309 851 HD11 LEU 107 1HD1 LEU 107 1.049 -0.862 -5.600 852 HD12 LEU 107 2HD1 LEU 107 2.468 0.052 -5.095 853 HD13 LEU 107 3HD1 LEU 107 0.865 0.550 -4.557 854 HD21 LEU 107 3HD2 LEU 107 3.457 -2.119 -4.171 855 HD22 LEU 107 1HD2 LEU 107 2.001 -2.930 -4.739 856 HD23 LEU 107 2HD2 LEU 107 2.488 -3.079 -3.051 857 H LEU 108 H LEU 108 3.461 2.354 -2.380 858 HA LEU 108 HA LEU 108 3.924 2.956 -5.077 859 HB2 LEU 108 2HB LEU 108 4.460 4.712 -2.673 860 HB3 LEU 108 1HB LEU 108 4.357 5.279 -4.326 861 HG LEU 108 HG LEU 108 2.091 4.129 -2.686 862 HD11 LEU 108 1HD1 LEU 108 2.604 6.926 -3.684 863 HD12 LEU 108 2HD1 LEU 108 2.718 6.389 -2.013 864 HD13 LEU 108 3HD1 LEU 108 1.158 6.384 -2.839 865 HD21 LEU 108 3HD2 LEU 108 1.811 3.517 -5.019 866 HD22 LEU 108 1HD2 LEU 108 2.130 5.187 -5.501 867 HD23 LEU 108 2HD2 LEU 108 0.675 4.802 -4.586 868 H ALA 109 H ALA 109 6.119 2.968 -2.305 869 HA ALA 109 HA ALA 109 8.448 3.730 -3.641 870 HB1 ALA 109 1HB ALA 109 8.182 3.795 -1.204 871 HB2 ALA 109 2HB ALA 109 9.639 2.927 -1.696 872 HB3 ALA 109 3HB ALA 109 8.216 2.031 -1.165 873 H SER 110 H SER 110 6.834 0.693 -3.610 874 HA SER 110 HA SER 110 9.093 -0.928 -4.289 875 HB2 SER 110 2HB SER 110 6.146 -1.516 -4.698 876 HB3 SER 110 1HB SER 110 7.458 -2.698 -4.668 877 HG SER 110 HG SER 110 6.995 -0.973 -2.471 878 H SER 111 H SER 111 7.353 1.327 -5.990 879 HA SER 111 HA SER 111 8.323 0.262 -8.555 880 HB2 SER 111 2HB SER 111 5.823 0.322 -8.403 881 HB3 SER 111 1HB SER 111 5.906 2.049 -8.083 882 HG SER 111 HG SER 111 6.081 0.671 -10.434 883 H LEU 112 H LEU 112 7.844 2.991 -6.407 884 HA LEU 112 HA LEU 112 9.709 4.634 -7.957 885 HB2 LEU 112 2HB LEU 112 7.373 5.534 -6.313 886 HB3 LEU 112 1HB LEU 112 8.417 6.533 -7.301 887 HG LEU 112 HG LEU 112 6.556 4.434 -8.387 888 HD11 LEU 112 1HD1 LEU 112 6.217 7.409 -8.138 889 HD12 LEU 112 2HD1 LEU 112 5.326 6.178 -7.242 890 HD13 LEU 112 3HD1 LEU 112 5.129 6.314 -8.990 891 HD21 LEU 112 3HD2 LEU 112 8.449 4.980 -9.837 892 HD22 LEU 112 1HD2 LEU 112 8.053 6.695 -9.709 893 HD23 LEU 112 2HD2 LEU 112 6.934 5.583 -10.506 894 H GLU 113 H GLU 113 11.478 4.070 -6.536 895 HA GLU 113 HA GLU 113 11.077 4.433 -3.717 896 HB2 GLU 113 2HB GLU 113 13.568 4.152 -3.483 897 HB3 GLU 113 1HB GLU 113 12.783 2.811 -4.288 898 HG2 GLU 113 2HG GLU 113 14.288 5.017 -5.677 899 HG3 GLU 113 1HG GLU 113 14.959 3.443 -5.251 900 H HIS 114 H HIS 114 12.258 6.230 -6.370 901 HA HIS 114 HA HIS 114 12.212 8.577 -4.646 902 HB2 HIS 114 2HB HIS 114 13.220 9.897 -6.481 903 HB3 HIS 114 1HB HIS 114 14.210 8.490 -6.169 904 HD1 HIS 114 1HD HIS 114 12.843 10.413 -8.854 905 HD2 HIS 114 2HD HIS 114 13.632 6.378 -8.263 906 HE1 HIS 114 1HE HIS 114 13.023 9.431 -11.131 907 HE2 HIS 114 2HE HIS 114 13.841 7.106 -10.733 908 H HIS 115 H HIS 115 10.499 9.766 -4.610 909 HA HIS 115 HA HIS 115 8.125 8.704 -5.732 910 HB2 HIS 115 2HB HIS 115 8.400 9.673 -3.446 911 HB3 HIS 115 1HB HIS 115 8.535 11.259 -4.173 912 HD1 HIS 115 1HD HIS 115 6.069 8.523 -3.481 913 HD2 HIS 115 2HD HIS 115 6.130 12.468 -4.711 914 HE1 HIS 115 1HE HIS 115 3.693 9.323 -3.256 915 HE2 HIS 115 2HE HIS 115 3.913 11.798 -3.591 916 H HIS 116 H HIS 116 8.618 8.924 -7.956 917 HA HIS 116 HA HIS 116 8.773 11.493 -9.221 918 HB2 HIS 116 2HB HIS 116 9.854 9.467 -10.169 919 HB3 HIS 116 1HB HIS 116 8.266 8.786 -10.486 920 HD1 HIS 116 1HD HIS 116 7.650 9.008 -12.878 921 HD2 HIS 116 2HD HIS 116 10.023 12.172 -11.616 922 HE1 HIS 116 1HE HIS 116 7.996 10.437 -14.897 923 HE2 HIS 116 2HE HIS 116 9.149 12.476 -14.022 924 H HIS 117 H HIS 117 6.206 9.073 -8.872 925 HA HIS 117 HA HIS 117 4.288 10.766 -10.212 926 HB2 HIS 117 2HB HIS 117 3.995 8.232 -8.587 927 HB3 HIS 117 1HB HIS 117 2.590 9.163 -9.052 928 HD1 HIS 117 1HD HIS 117 1.584 8.562 -11.286 929 HD2 HIS 117 2HD HIS 117 5.492 7.195 -10.912 930 HE1 HIS 117 1HE HIS 117 1.957 7.051 -13.240 931 HE2 HIS 117 2HE HIS 117 4.369 6.368 -13.083 932 H HIS 118 H HIS 118 3.372 12.471 -9.319 933 HA HIS 118 HA HIS 118 3.723 12.799 -6.431 934 HB2 HIS 118 2HB HIS 118 3.211 14.949 -8.513 935 HB3 HIS 118 1HB HIS 118 3.545 15.211 -6.813 936 HD1 HIS 118 1HD HIS 118 5.168 15.464 -9.919 937 HD2 HIS 118 2HD HIS 118 6.305 13.949 -6.221 938 HE1 HIS 118 1HE HIS 118 7.661 15.375 -9.966 939 HE2 HIS 118 2HE HIS 118 8.329 14.364 -7.765 940 H HIS 119 H HIS 119 1.972 12.835 -5.176 941 HA HIS 119 HA HIS 119 -0.504 13.868 -6.101 942 HB2 HIS 119 2HB HIS 119 -0.667 11.459 -6.857 943 HB3 HIS 119 1HB HIS 119 -0.448 10.970 -5.178 944 HD1 HIS 119 1HD HIS 119 -2.545 10.872 -3.738 945 HD2 HIS 119 2HD HIS 119 -3.127 12.948 -7.301 946 HE1 HIS 119 1HE HIS 119 -4.959 11.481 -3.782 947 HE2 HIS 119 2HE HIS 119 -5.160 13.038 -5.718 Start of MODEL 3 1 H1 MET 1 1HT MET 1 0.133 -10.878 -11.049 2 H2 MET 1 2HT MET 1 1.817 -11.000 -10.892 3 H3 MET 1 3HT MET 1 1.025 -9.567 -10.540 4 HA MET 1 HA MET 1 0.612 -12.041 -9.016 5 HB2 MET 1 2HB MET 1 2.879 -10.957 -8.696 6 HB3 MET 1 1HB MET 1 2.056 -9.470 -8.267 7 HG2 MET 1 2HG MET 1 1.089 -10.578 -6.304 8 HG3 MET 1 1HG MET 1 1.929 -12.062 -6.744 9 HE1 MET 1 2HE MET 1 3.923 -10.884 -3.588 10 HE2 MET 1 3HE MET 1 3.077 -12.230 -4.349 11 HE3 MET 1 1HE MET 1 2.189 -10.783 -3.869 12 H PHE 2 H PHE 2 -0.920 -11.714 -7.296 13 HA PHE 2 HA PHE 2 -2.836 -9.663 -7.975 14 HB2 PHE 2 2HB PHE 2 -2.951 -11.930 -5.970 15 HB3 PHE 2 1HB PHE 2 -4.272 -10.819 -6.299 16 HD1 PHE 2 1HD PHE 2 -5.419 -10.895 -8.483 17 HD2 PHE 2 2HD PHE 2 -2.475 -13.768 -7.406 18 HE1 PHE 2 1HE PHE 2 -6.225 -12.381 -10.261 19 HE2 PHE 2 2HE PHE 2 -3.271 -15.259 -9.189 20 HZ PHE 2 HZ PHE 2 -5.150 -14.570 -10.620 21 H ALA 3 H ALA 3 -3.524 -8.105 -6.546 22 HA ALA 3 HA ALA 3 -2.000 -7.798 -4.071 23 HB1 ALA 3 1HB ALA 3 -1.886 -5.370 -4.468 24 HB2 ALA 3 2HB ALA 3 -2.644 -5.594 -6.044 25 HB3 ALA 3 3HB ALA 3 -1.043 -6.262 -5.734 26 H VAL 4 H VAL 4 -3.422 -7.949 -2.527 27 HA VAL 4 HA VAL 4 -6.206 -7.329 -3.121 28 HB VAL 4 HB VAL 4 -5.062 -8.771 -0.703 29 HG11 VAL 4 1HG1 VAL 4 -7.224 -7.705 -0.227 30 HG12 VAL 4 2HG1 VAL 4 -7.390 -9.461 -0.278 31 HG13 VAL 4 3HG1 VAL 4 -7.927 -8.485 -1.643 32 HG21 VAL 4 3HG2 VAL 4 -4.727 -10.043 -2.756 33 HG22 VAL 4 1HG2 VAL 4 -6.441 -9.894 -3.139 34 HG23 VAL 4 2HG2 VAL 4 -5.935 -10.814 -1.726 35 H ILE 5 H ILE 5 -7.229 -5.736 -2.226 36 HA ILE 5 HA ILE 5 -5.681 -3.795 -0.695 37 HB ILE 5 HB ILE 5 -8.347 -3.578 -2.102 38 HG12 ILE 5 2HG1 ILE 5 -6.544 -3.775 -3.735 39 HG13 ILE 5 1HG1 ILE 5 -7.095 -2.103 -3.698 40 HG21 ILE 5 1HG2 ILE 5 -8.265 -1.197 -1.713 41 HG22 ILE 5 2HG2 ILE 5 -6.731 -1.361 -0.877 42 HG23 ILE 5 3HG2 ILE 5 -8.195 -2.049 -0.172 43 HD11 ILE 5 3HD1 ILE 5 -5.144 -1.596 -2.264 44 HD12 ILE 5 1HD1 ILE 5 -4.735 -2.206 -3.867 45 HD13 ILE 5 2HD1 ILE 5 -4.634 -3.274 -2.478 46 H SER 6 H SER 6 -6.038 -3.469 1.396 47 HA SER 6 HA SER 6 -8.295 -4.760 2.674 48 HB2 SER 6 2HB SER 6 -6.064 -3.089 3.842 49 HB3 SER 6 1HB SER 6 -7.214 -4.067 4.758 50 HG SER 6 HG SER 6 -5.829 -5.344 2.749 51 HA PRO 7 HA PRO 7 -10.973 -1.176 2.727 52 HB2 PRO 7 2HB PRO 7 -11.315 -1.709 5.645 53 HB3 PRO 7 1HB PRO 7 -12.549 -1.507 4.393 54 HG2 PRO 7 2HG PRO 7 -12.019 -3.945 5.260 55 HG3 PRO 7 1HG PRO 7 -12.187 -3.653 3.520 56 HD2 PRO 7 2HD PRO 7 -9.688 -3.963 5.147 57 HD3 PRO 7 1HD PRO 7 -10.115 -4.687 3.577 58 H SER 8 H SER 8 -8.259 -1.306 4.780 59 HA SER 8 HA SER 8 -8.457 1.339 5.895 60 HB2 SER 8 2HB SER 8 -6.149 0.831 6.675 61 HB3 SER 8 1HB SER 8 -7.310 -0.433 7.098 62 HG SER 8 HG SER 8 -6.011 -0.685 4.656 63 H ALA 9 H ALA 9 -7.670 0.164 2.826 64 HA ALA 9 HA ALA 9 -5.594 2.170 2.352 65 HB1 ALA 9 1HB ALA 9 -5.130 0.796 0.308 66 HB2 ALA 9 2HB ALA 9 -6.376 -0.324 0.878 67 HB3 ALA 9 3HB ALA 9 -4.927 -0.065 1.834 68 H PHE 10 H PHE 10 -8.717 2.376 2.309 69 HA PHE 10 HA PHE 10 -9.204 3.020 -0.435 70 HB2 PHE 10 2HB PHE 10 -10.932 3.435 2.005 71 HB3 PHE 10 1HB PHE 10 -11.424 3.797 0.355 72 HD1 PHE 10 1HD PHE 10 -9.807 1.137 -0.587 73 HD2 PHE 10 2HD PHE 10 -12.915 2.004 2.198 74 HE1 PHE 10 1HE PHE 10 -10.641 -1.143 -0.810 75 HE2 PHE 10 2HE PHE 10 -13.746 -0.304 1.963 76 HZ PHE 10 HZ PHE 10 -12.619 -1.865 0.469 77 H GLY 11 H GLY 11 -9.851 5.030 -1.211 78 HA2 GLY 11 2HA GLY 11 -9.767 7.359 -1.377 79 HA3 GLY 11 1HA GLY 11 -8.974 7.424 0.197 80 H LYS 12 H LYS 12 -6.854 5.619 -0.267 81 HA LYS 12 HA LYS 12 -5.213 6.975 -2.208 82 HB2 LYS 12 2HB LYS 12 -4.800 4.875 -0.123 83 HB3 LYS 12 1HB LYS 12 -3.508 5.493 -1.160 84 HG2 LYS 12 2HG LYS 12 -5.200 7.198 0.613 85 HG3 LYS 12 1HG LYS 12 -3.653 6.511 1.113 86 HD2 LYS 12 2HD LYS 12 -2.599 7.570 -0.794 87 HD3 LYS 12 1HD LYS 12 -4.121 8.265 -1.300 88 HE2 LYS 12 2HE LYS 12 -4.233 9.554 0.787 89 HE3 LYS 12 1HE LYS 12 -2.661 8.878 1.241 90 HZ1 LYS 12 3HZ LYS 12 -2.999 10.258 -1.321 91 HZ2 LYS 12 1HZ LYS 12 -1.596 9.991 -0.447 92 HZ3 LYS 12 2HZ LYS 12 -2.698 11.160 0.088 93 H LEU 13 H LEU 13 -7.345 4.639 -2.122 94 HA LEU 13 HA LEU 13 -6.529 2.392 -3.444 95 HB2 LEU 13 2HB LEU 13 -8.696 2.867 -2.394 96 HB3 LEU 13 1HB LEU 13 -9.093 3.942 -3.708 97 HG LEU 13 HG LEU 13 -9.146 2.038 -5.245 98 HD11 LEU 13 1HD1 LEU 13 -9.055 -0.243 -4.285 99 HD12 LEU 13 2HD1 LEU 13 -8.568 0.488 -2.743 100 HD13 LEU 13 3HD1 LEU 13 -7.512 0.611 -4.148 101 HD21 LEU 13 3HD2 LEU 13 -10.781 1.705 -2.737 102 HD22 LEU 13 1HD2 LEU 13 -11.161 0.999 -4.310 103 HD23 LEU 13 2HD2 LEU 13 -11.169 2.751 -4.101 104 H LYS 14 H LYS 14 -7.421 5.538 -4.733 105 HA LYS 14 HA LYS 14 -7.323 4.809 -7.491 106 HB2 LYS 14 2HB LYS 14 -7.181 7.522 -6.177 107 HB3 LYS 14 1HB LYS 14 -7.484 7.224 -7.883 108 HG2 LYS 14 2HG LYS 14 -9.591 6.191 -7.390 109 HG3 LYS 14 1HG LYS 14 -9.269 6.266 -5.656 110 HD2 LYS 14 2HD LYS 14 -9.227 8.721 -5.792 111 HD3 LYS 14 1HD LYS 14 -9.612 8.619 -7.512 112 HE2 LYS 14 2HE LYS 14 -11.729 7.567 -7.011 113 HE3 LYS 14 1HE LYS 14 -11.327 7.505 -5.299 114 HZ1 LYS 14 3HZ LYS 14 -11.290 9.929 -5.287 115 HZ2 LYS 14 1HZ LYS 14 -12.804 9.314 -5.721 116 HZ3 LYS 14 2HZ LYS 14 -11.778 9.963 -6.904 117 H GLU 15 H GLU 15 -5.116 6.332 -5.196 118 HA GLU 15 HA GLU 15 -3.184 7.032 -7.111 119 HB2 GLU 15 2HB GLU 15 -2.971 6.818 -4.110 120 HB3 GLU 15 1HB GLU 15 -1.654 7.374 -5.140 121 HG2 GLU 15 2HG GLU 15 -3.101 9.166 -5.977 122 HG3 GLU 15 1HG GLU 15 -4.370 8.651 -4.866 123 H ILE 16 H ILE 16 -3.279 4.297 -4.826 124 HA ILE 16 HA ILE 16 -0.825 3.180 -5.642 125 HB ILE 16 HB ILE 16 -1.723 0.975 -4.820 126 HG12 ILE 16 2HG1 ILE 16 -4.182 2.617 -4.206 127 HG13 ILE 16 1HG1 ILE 16 -4.082 1.276 -5.340 128 HG21 ILE 16 1HG2 ILE 16 -0.522 2.435 -3.326 129 HG22 ILE 16 2HG2 ILE 16 -1.850 1.600 -2.504 130 HG23 ILE 16 3HG2 ILE 16 -2.028 3.296 -2.952 131 HD11 ILE 16 3HD1 ILE 16 -3.710 1.120 -2.370 132 HD12 ILE 16 1HD1 ILE 16 -3.592 -0.225 -3.501 133 HD13 ILE 16 2HD1 ILE 16 -5.139 0.599 -3.278 134 H LEU 17 H LEU 17 -4.037 2.772 -6.902 135 HA LEU 17 HA LEU 17 -3.527 0.662 -8.669 136 HB2 LEU 17 2HB LEU 17 -5.723 1.230 -7.858 137 HB3 LEU 17 1HB LEU 17 -5.637 2.796 -8.615 138 HG LEU 17 HG LEU 17 -5.796 1.770 -10.826 139 HD11 LEU 17 1HD1 LEU 17 -4.642 -0.343 -10.362 140 HD12 LEU 17 2HD1 LEU 17 -6.235 -0.616 -11.067 141 HD13 LEU 17 3HD1 LEU 17 -5.984 -0.847 -9.335 142 HD21 LEU 17 3HD2 LEU 17 -7.857 2.370 -9.829 143 HD22 LEU 17 1HD2 LEU 17 -7.827 0.941 -8.786 144 HD23 LEU 17 2HD2 LEU 17 -8.053 0.735 -10.500 145 H GLY 18 H GLY 18 -3.658 4.188 -9.153 146 HA2 GLY 18 2HA GLY 18 -3.055 3.904 -11.959 147 HA3 GLY 18 1HA GLY 18 -3.290 5.405 -11.086 148 H SER 19 H SER 19 -1.233 4.761 -9.087 149 HA SER 19 HA SER 19 0.947 5.893 -10.541 150 HB2 SER 19 2HB SER 19 0.299 6.550 -8.214 151 HB3 SER 19 1HB SER 19 0.841 4.973 -7.661 152 HG SER 19 HG SER 19 2.203 7.012 -7.679 153 H ASN 20 H ASN 20 0.388 2.761 -8.895 154 HA ASN 20 HA ASN 20 3.005 1.957 -9.841 155 HB2 ASN 20 2HB ASN 20 2.323 1.448 -7.472 156 HB3 ASN 20 1HB ASN 20 1.125 0.337 -8.102 157 HD21 ASN 20 1HD2 ASN 20 3.583 -0.011 -6.398 158 HD22 ASN 20 2HD2 ASN 20 4.470 -1.282 -7.153 159 H LYS 21 H LYS 21 -0.415 0.959 -10.193 160 HA LYS 21 HA LYS 21 -1.449 -0.490 -11.656 161 HB2 LYS 21 2HB LYS 21 0.986 0.035 -13.448 162 HB3 LYS 21 1HB LYS 21 -0.560 -0.592 -13.977 163 HG2 LYS 21 2HG LYS 21 -0.182 2.175 -12.847 164 HG3 LYS 21 1HG LYS 21 -0.086 1.810 -14.562 165 HD2 LYS 21 2HD LYS 21 -2.526 1.109 -12.942 166 HD3 LYS 21 1HD LYS 21 -2.297 2.726 -13.585 167 HE2 LYS 21 2HE LYS 21 -3.706 1.463 -15.076 168 HE3 LYS 21 1HE LYS 21 -2.170 1.785 -15.859 169 HZ1 LYS 21 3HZ LYS 21 -1.509 -0.463 -15.526 170 HZ2 LYS 21 1HZ LYS 21 -3.029 -0.447 -16.213 171 HZ3 LYS 21 2HZ LYS 21 -2.885 -0.824 -14.590 172 H ASN 22 H ASN 22 0.235 -2.297 -13.487 173 HA ASN 22 HA ASN 22 1.732 -4.010 -13.528 174 HB2 ASN 22 2HB ASN 22 3.263 -2.380 -12.581 175 HB3 ASN 22 1HB ASN 22 2.697 -2.747 -10.966 176 HD21 ASN 22 1HD2 ASN 22 4.706 -3.203 -10.263 177 HD22 ASN 22 2HD2 ASN 22 5.624 -4.584 -10.725 178 H TYR 23 H TYR 23 -0.437 -3.806 -10.928 179 HA TYR 23 HA TYR 23 -0.070 -6.682 -10.405 180 HB2 TYR 23 2HB TYR 23 -0.894 -4.495 -8.498 181 HB3 TYR 23 1HB TYR 23 -1.097 -6.203 -8.155 182 HD1 TYR 23 1HD TYR 23 1.357 -3.490 -8.596 183 HD2 TYR 23 2HD TYR 23 0.766 -7.559 -7.520 184 HE1 TYR 23 1HE TYR 23 3.621 -3.561 -7.642 185 HE2 TYR 23 2HE TYR 23 3.026 -7.645 -6.569 186 HH TYR 23 HH TYR 23 5.139 -6.487 -6.762 187 H LYS 24 H LYS 24 -1.979 -7.850 -9.934 188 HA LYS 24 HA LYS 24 -4.350 -6.655 -11.106 189 HB2 LYS 24 2HB LYS 24 -3.760 -8.960 -11.832 190 HB3 LYS 24 1HB LYS 24 -3.829 -9.500 -10.164 191 HG2 LYS 24 2HG LYS 24 -5.841 -10.176 -11.343 192 HG3 LYS 24 1HG LYS 24 -6.234 -8.998 -10.095 193 HD2 LYS 24 2HD LYS 24 -7.501 -8.455 -12.060 194 HD3 LYS 24 1HD LYS 24 -6.254 -7.231 -11.873 195 HE2 LYS 24 2HE LYS 24 -6.428 -7.867 -14.200 196 HE3 LYS 24 1HE LYS 24 -4.883 -8.420 -13.568 197 HZ1 LYS 24 3HZ LYS 24 -5.987 -10.086 -14.945 198 HZ2 LYS 24 1HZ LYS 24 -7.304 -10.108 -13.921 199 HZ3 LYS 24 2HZ LYS 24 -5.808 -10.676 -13.389 200 H PHE 25 H PHE 25 -5.154 -5.336 -9.666 201 HA PHE 25 HA PHE 25 -4.984 -5.811 -6.867 202 HB2 PHE 25 2HB PHE 25 -6.379 -3.692 -8.475 203 HB3 PHE 25 1HB PHE 25 -6.310 -3.683 -6.713 204 HD1 PHE 25 1HD PHE 25 -4.446 -3.179 -9.823 205 HD2 PHE 25 2HD PHE 25 -4.224 -3.152 -5.585 206 HE1 PHE 25 1HE PHE 25 -2.310 -1.967 -9.952 207 HE2 PHE 25 2HE PHE 25 -2.085 -1.937 -5.700 208 HZ PHE 25 HZ PHE 25 -1.124 -1.343 -7.889 209 H VAL 26 H VAL 26 -6.419 -6.630 -5.561 210 HA VAL 26 HA VAL 26 -9.050 -7.404 -6.623 211 HB VAL 26 HB VAL 26 -7.365 -8.963 -4.655 212 HG11 VAL 26 1HG1 VAL 26 -9.925 -9.709 -6.059 213 HG12 VAL 26 2HG1 VAL 26 -9.731 -9.330 -4.348 214 HG13 VAL 26 3HG1 VAL 26 -8.982 -10.778 -5.016 215 HG21 VAL 26 3HG2 VAL 26 -7.809 -9.525 -7.583 216 HG22 VAL 26 1HG2 VAL 26 -7.023 -10.623 -6.450 217 HG23 VAL 26 2HG2 VAL 26 -6.287 -9.063 -6.822 218 H ILE 27 H ILE 27 -10.685 -6.838 -5.357 219 HA ILE 27 HA ILE 27 -10.111 -6.002 -2.619 220 HB ILE 27 HB ILE 27 -10.802 -4.094 -4.060 221 HG12 ILE 27 2HG1 ILE 27 -12.691 -3.247 -2.681 222 HG13 ILE 27 1HG1 ILE 27 -12.902 -4.863 -2.022 223 HG21 ILE 27 1HG2 ILE 27 -12.131 -5.269 -5.691 224 HG22 ILE 27 2HG2 ILE 27 -13.063 -3.952 -4.968 225 HG23 ILE 27 3HG2 ILE 27 -13.352 -5.617 -4.466 226 HD11 ILE 27 3HD1 ILE 27 -10.452 -3.150 -1.725 227 HD12 ILE 27 1HD1 ILE 27 -10.677 -4.755 -1.033 228 HD13 ILE 27 2HD1 ILE 27 -11.684 -3.415 -0.493 229 H THR 28 H THR 28 -11.802 -6.569 -1.061 230 HA THR 28 HA THR 28 -12.919 -9.135 -1.721 231 HB THR 28 HB THR 28 -13.309 -9.195 0.746 232 HG1 THR 28 1HG THR 28 -12.430 -7.546 1.961 233 HG21 THR 28 3HG2 THR 28 -10.484 -8.511 -0.079 234 HG22 THR 28 1HG2 THR 28 -11.258 -10.077 -0.336 235 HG23 THR 28 2HG2 THR 28 -10.992 -9.498 1.300 236 H THR 29 H THR 29 -15.084 -9.619 -0.685 237 HA THR 29 HA THR 29 -17.062 -7.926 -1.680 238 HB THR 29 HB THR 29 -18.482 -9.515 -0.103 239 HG1 THR 29 1HG THR 29 -16.192 -10.276 0.733 240 HG21 THR 29 3HG2 THR 29 -18.485 -11.159 -1.936 241 HG22 THR 29 1HG2 THR 29 -17.006 -10.443 -2.581 242 HG23 THR 29 2HG2 THR 29 -18.508 -9.514 -2.559 243 H LEU 30 H LEU 30 -15.779 -8.387 1.602 244 HA LEU 30 HA LEU 30 -17.642 -6.491 2.672 245 HB2 LEU 30 2HB LEU 30 -15.118 -7.651 3.857 246 HB3 LEU 30 1HB LEU 30 -16.199 -6.577 4.718 247 HG LEU 30 HG LEU 30 -16.873 -9.348 3.721 248 HD11 LEU 30 1HD1 LEU 30 -15.415 -9.381 5.657 249 HD12 LEU 30 2HD1 LEU 30 -17.042 -9.897 6.102 250 HD13 LEU 30 3HD1 LEU 30 -16.490 -8.276 6.511 251 HD21 LEU 30 3HD2 LEU 30 -18.990 -9.047 4.952 252 HD22 LEU 30 1HD2 LEU 30 -18.842 -7.923 3.602 253 HD23 LEU 30 2HD2 LEU 30 -18.563 -7.363 5.248 254 H GLY 31 H GLY 31 -14.672 -6.323 1.045 255 HA2 GLY 31 2HA GLY 31 -13.845 -3.748 1.920 256 HA3 GLY 31 1HA GLY 31 -13.344 -4.572 0.440 257 H VAL 32 H VAL 32 -15.550 -4.881 -0.998 258 HA VAL 32 HA VAL 32 -16.008 -2.285 -1.974 259 HB VAL 32 HB VAL 32 -17.703 -3.226 -3.513 260 HG11 VAL 32 1HG1 VAL 32 -16.246 -4.767 -4.719 261 HG12 VAL 32 2HG1 VAL 32 -15.222 -4.892 -3.293 262 HG13 VAL 32 3HG1 VAL 32 -15.369 -3.354 -4.135 263 HG21 VAL 32 3HG2 VAL 32 -18.159 -5.642 -3.544 264 HG22 VAL 32 1HG2 VAL 32 -18.738 -4.885 -2.057 265 HG23 VAL 32 2HG2 VAL 32 -17.243 -5.819 -2.045 266 H SER 33 H SER 33 -17.967 -4.289 0.157 267 HA SER 33 HA SER 33 -20.180 -2.542 0.063 268 HB2 SER 33 2HB SER 33 -20.889 -3.852 2.138 269 HB3 SER 33 1HB SER 33 -20.652 -4.774 0.654 270 HG SER 33 HG SER 33 -18.928 -5.687 1.454 271 H PHE 34 H PHE 34 -17.342 -2.762 2.140 272 HA PHE 34 HA PHE 34 -18.174 -0.854 4.037 273 HB2 PHE 34 2HB PHE 34 -16.205 -2.365 4.362 274 HB3 PHE 34 1HB PHE 34 -15.338 -1.458 3.133 275 HD1 PHE 34 1HD PHE 34 -16.780 -1.301 6.523 276 HD2 PHE 34 2HD PHE 34 -14.258 0.621 3.678 277 HE1 PHE 34 1HE PHE 34 -15.955 0.216 8.276 278 HE2 PHE 34 2HE PHE 34 -13.434 2.135 5.425 279 HZ PHE 34 HZ PHE 34 -14.281 1.936 7.729 280 H ALA 35 H ALA 35 -16.560 -0.621 0.941 281 HA ALA 35 HA ALA 35 -16.125 2.164 1.009 282 HB1 ALA 35 1HB ALA 35 -16.445 0.352 -1.379 283 HB2 ALA 35 2HB ALA 35 -14.932 0.683 -0.533 284 HB3 ALA 35 3HB ALA 35 -15.763 1.978 -1.398 285 H ILE 36 H ILE 36 -18.734 0.193 -0.352 286 HA ILE 36 HA ILE 36 -20.274 2.251 -1.447 287 HB ILE 36 HB ILE 36 -21.153 -0.431 -0.341 288 HG12 ILE 36 2HG1 ILE 36 -19.675 -0.563 -2.297 289 HG13 ILE 36 1HG1 ILE 36 -21.298 -1.119 -2.686 290 HG21 ILE 36 1HG2 ILE 36 -23.272 -0.169 -1.543 291 HG22 ILE 36 2HG2 ILE 36 -22.815 1.475 -1.984 292 HG23 ILE 36 3HG2 ILE 36 -23.076 1.060 -0.290 293 HD11 ILE 36 3HD1 ILE 36 -20.383 0.203 -4.495 294 HD12 ILE 36 1HD1 ILE 36 -20.115 1.562 -3.406 295 HD13 ILE 36 2HD1 ILE 36 -21.756 1.033 -3.774 296 H LYS 37 H LYS 37 -20.540 0.832 1.828 297 HA LYS 37 HA LYS 37 -22.684 2.539 2.578 298 HB2 LYS 37 2HB LYS 37 -22.296 1.769 4.884 299 HB3 LYS 37 1HB LYS 37 -22.364 0.446 3.734 300 HG2 LYS 37 2HG LYS 37 -19.914 0.326 3.766 301 HG3 LYS 37 1HG LYS 37 -19.872 1.633 4.938 302 HD2 LYS 37 2HD LYS 37 -19.588 -0.386 6.166 303 HD3 LYS 37 1HD LYS 37 -21.226 0.160 6.477 304 HE2 LYS 37 2HE LYS 37 -20.509 -1.965 4.439 305 HE3 LYS 37 1HE LYS 37 -20.945 -2.328 6.098 306 HZ1 LYS 37 3HZ LYS 37 -22.857 -2.626 4.748 307 HZ2 LYS 37 1HZ LYS 37 -22.709 -1.132 4.001 308 HZ3 LYS 37 2HZ LYS 37 -23.136 -1.236 5.618 309 H SER 38 H SER 38 -19.253 2.996 2.622 310 HA SER 38 HA SER 38 -19.505 5.295 4.370 311 HB2 SER 38 2HB SER 38 -17.044 4.175 3.016 312 HB3 SER 38 1HB SER 38 -17.083 5.344 4.342 313 HG SER 38 HG SER 38 -17.426 2.615 4.333 314 H GLY 39 H GLY 39 -19.907 4.668 1.123 315 HA2 GLY 39 2HA GLY 39 -20.300 6.090 -0.636 316 HA3 GLY 39 1HA GLY 39 -20.031 7.428 0.468 317 H ILE 40 H ILE 40 -17.838 4.836 -0.366 318 HA ILE 40 HA ILE 40 -15.848 6.837 -1.159 319 HB ILE 40 HB ILE 40 -15.510 3.904 -0.433 320 HG12 ILE 40 2HG1 ILE 40 -14.820 6.375 1.169 321 HG13 ILE 40 1HG1 ILE 40 -16.210 5.340 1.459 322 HG21 ILE 40 1HG2 ILE 40 -13.764 4.698 -1.973 323 HG22 ILE 40 2HG2 ILE 40 -13.126 4.351 -0.371 324 HG23 ILE 40 3HG2 ILE 40 -13.392 6.026 -0.864 325 HD11 ILE 40 3HD1 ILE 40 -13.317 4.533 1.688 326 HD12 ILE 40 1HD1 ILE 40 -14.704 3.482 1.980 327 HD13 ILE 40 2HD1 ILE 40 -14.417 4.872 3.023 328 H ASP 41 H ASP 41 -14.797 6.650 -3.148 329 HA ASP 41 HA ASP 41 -16.274 5.486 -5.290 330 HB2 ASP 41 2HB ASP 41 -13.474 6.629 -5.369 331 HB3 ASP 41 1HB ASP 41 -14.439 6.201 -6.767 332 H ILE 42 H ILE 42 -16.307 3.326 -4.694 333 HA ILE 42 HA ILE 42 -13.832 1.824 -5.037 334 HB ILE 42 HB ILE 42 -15.419 1.036 -3.319 335 HG12 ILE 42 2HG1 ILE 42 -15.643 -1.346 -3.994 336 HG13 ILE 42 1HG1 ILE 42 -15.176 -0.898 -5.629 337 HG21 ILE 42 1HG2 ILE 42 -17.511 1.763 -4.255 338 HG22 ILE 42 2HG2 ILE 42 -17.582 0.036 -3.902 339 HG23 ILE 42 3HG2 ILE 42 -17.370 0.591 -5.564 340 HD11 ILE 42 3HD1 ILE 42 -13.305 -1.839 -4.389 341 HD12 ILE 42 1HD1 ILE 42 -13.475 -0.585 -3.162 342 HD13 ILE 42 2HD1 ILE 42 -12.999 -0.158 -4.808 343 H ASP 43 H ASP 43 -16.530 2.914 -6.702 344 HA ASP 43 HA ASP 43 -16.789 1.167 -8.864 345 HB2 ASP 43 2HB ASP 43 -17.934 3.146 -9.915 346 HB3 ASP 43 1HB ASP 43 -18.548 2.706 -8.323 347 H SER 44 H SER 44 -14.833 4.053 -8.380 348 HA SER 44 HA SER 44 -13.891 4.143 -11.057 349 HB2 SER 44 2HB SER 44 -14.003 6.093 -9.420 350 HB3 SER 44 1HB SER 44 -12.576 5.420 -8.641 351 HG SER 44 HG SER 44 -12.836 6.222 -11.328 352 H ALA 45 H ALA 45 -12.933 2.455 -8.197 353 HA ALA 45 HA ALA 45 -10.279 1.822 -9.075 354 HB1 ALA 45 1HB ALA 45 -11.999 0.515 -6.964 355 HB2 ALA 45 2HB ALA 45 -10.883 1.850 -6.696 356 HB3 ALA 45 3HB ALA 45 -10.266 0.271 -7.185 357 H LEU 46 H LEU 46 -13.376 0.141 -8.897 358 HA LEU 46 HA LEU 46 -12.646 -2.289 -10.075 359 HB2 LEU 46 2HB LEU 46 -15.284 -0.825 -10.303 360 HB3 LEU 46 1HB LEU 46 -15.036 -2.527 -10.624 361 HG LEU 46 HG LEU 46 -14.736 -1.198 -7.929 362 HD11 LEU 46 1HD1 LEU 46 -17.043 -1.240 -8.649 363 HD12 LEU 46 2HD1 LEU 46 -16.779 -2.399 -7.345 364 HD13 LEU 46 3HD1 LEU 46 -16.913 -2.962 -9.013 365 HD21 LEU 46 3HD2 LEU 46 -13.283 -3.151 -8.148 366 HD22 LEU 46 1HD2 LEU 46 -14.650 -4.118 -8.700 367 HD23 LEU 46 2HD2 LEU 46 -14.620 -3.487 -7.053 368 H ASP 47 H ASP 47 -13.827 0.708 -11.461 369 HA ASP 47 HA ASP 47 -13.993 0.127 -14.147 370 HB2 ASP 47 2HB ASP 47 -14.745 2.227 -13.230 371 HB3 ASP 47 1HB ASP 47 -13.108 2.658 -12.769 372 H ARG 48 H ARG 48 -11.134 1.208 -12.339 373 HA ARG 48 HA ARG 48 -9.553 1.199 -14.756 374 HB2 ARG 48 2HB ARG 48 -8.687 1.765 -11.943 375 HB3 ARG 48 1HB ARG 48 -7.756 2.097 -13.402 376 HG2 ARG 48 2HG ARG 48 -9.434 3.710 -14.087 377 HG3 ARG 48 1HG ARG 48 -10.393 3.323 -12.659 378 HD2 ARG 48 2HD ARG 48 -8.239 3.899 -11.372 379 HD3 ARG 48 1HD ARG 48 -7.781 4.735 -12.856 380 HE ARG 48 HE ARG 48 -10.408 5.364 -11.947 381 HH11 ARG 48 1HH1 ARG 48 -7.025 6.403 -11.878 382 HH12 ARG 48 2HH1 ARG 48 -7.357 7.846 -11.024 383 HH21 ARG 48 1HH2 ARG 48 -10.826 7.315 -10.724 384 HH22 ARG 48 2HH2 ARG 48 -9.553 8.388 -10.345 385 H GLY 49 H GLY 49 -10.433 -1.227 -12.746 386 HA2 GLY 49 2HA GLY 49 -9.555 -3.335 -13.835 387 HA3 GLY 49 1HA GLY 49 -7.968 -2.667 -13.543 388 H VAL 50 H VAL 50 -9.929 -2.061 -10.860 389 HA VAL 50 HA VAL 50 -8.668 -4.234 -9.429 390 HB VAL 50 HB VAL 50 -10.698 -2.184 -8.434 391 HG11 VAL 50 1HG1 VAL 50 -8.970 -4.100 -6.868 392 HG12 VAL 50 2HG1 VAL 50 -10.717 -4.210 -7.067 393 HG13 VAL 50 3HG1 VAL 50 -10.017 -2.858 -6.177 394 HG21 VAL 50 3HG2 VAL 50 -8.611 -1.141 -9.101 395 HG22 VAL 50 1HG2 VAL 50 -7.701 -2.279 -8.113 396 HG23 VAL 50 2HG2 VAL 50 -8.767 -1.119 -7.341 397 H ILE 51 H ILE 51 -9.552 -6.154 -9.021 398 HA ILE 51 HA ILE 51 -12.315 -6.559 -9.910 399 HB ILE 51 HB ILE 51 -11.796 -8.961 -10.060 400 HG12 ILE 51 2HG1 ILE 51 -8.951 -8.174 -9.356 401 HG13 ILE 51 1HG1 ILE 51 -10.054 -9.032 -8.287 402 HG21 ILE 51 1HG2 ILE 51 -10.285 -8.867 -11.986 403 HG22 ILE 51 2HG2 ILE 51 -9.836 -7.219 -11.547 404 HG23 ILE 51 3HG2 ILE 51 -11.495 -7.583 -12.031 405 HD11 ILE 51 3HD1 ILE 51 -8.988 -10.037 -10.917 406 HD12 ILE 51 1HD1 ILE 51 -10.106 -10.909 -9.870 407 HD13 ILE 51 2HD1 ILE 51 -8.467 -10.558 -9.317 408 H VAL 52 H VAL 52 -13.603 -8.096 -8.644 409 HA VAL 52 HA VAL 52 -12.950 -7.849 -5.798 410 HB VAL 52 HB VAL 52 -14.873 -6.439 -6.366 411 HG11 VAL 52 1HG1 VAL 52 -15.679 -7.542 -8.351 412 HG12 VAL 52 2HG1 VAL 52 -16.990 -7.372 -7.185 413 HG13 VAL 52 3HG1 VAL 52 -16.199 -8.935 -7.402 414 HG21 VAL 52 3HG2 VAL 52 -16.550 -7.334 -4.794 415 HG22 VAL 52 1HG2 VAL 52 -14.908 -7.475 -4.165 416 HG23 VAL 52 2HG2 VAL 52 -15.724 -8.892 -4.821 417 H ARG 53 H ARG 53 -13.041 -9.658 -4.545 418 HA ARG 53 HA ARG 53 -14.304 -12.036 -5.664 419 HB2 ARG 53 2HB ARG 53 -11.864 -12.190 -6.233 420 HB3 ARG 53 1HB ARG 53 -11.500 -12.109 -4.513 421 HG2 ARG 53 2HG ARG 53 -12.824 -14.173 -4.169 422 HG3 ARG 53 1HG ARG 53 -13.071 -14.269 -5.908 423 HD2 ARG 53 2HD ARG 53 -10.620 -14.436 -6.206 424 HD3 ARG 53 1HD ARG 53 -10.432 -14.417 -4.451 425 HE ARG 53 HE ARG 53 -12.242 -16.425 -5.397 426 HH11 ARG 53 1HH1 ARG 53 -8.847 -15.805 -4.658 427 HH12 ARG 53 2HH1 ARG 53 -8.411 -17.449 -4.582 428 HH21 ARG 53 1HH2 ARG 53 -11.629 -18.713 -5.258 429 HH22 ARG 53 2HH2 ARG 53 -10.022 -19.110 -4.892 430 H ALA 54 H ALA 54 -15.275 -13.277 -4.166 431 HA ALA 54 HA ALA 54 -15.290 -12.333 -1.429 432 HB1 ALA 54 1HB ALA 54 -17.105 -13.963 -1.134 433 HB2 ALA 54 2HB ALA 54 -16.835 -14.560 -2.769 434 HB3 ALA 54 3HB ALA 54 -17.422 -12.918 -2.520 435 H PHE 55 H PHE 55 -14.772 -13.735 0.304 436 HA PHE 55 HA PHE 55 -12.712 -15.635 -0.375 437 HB2 PHE 55 2HB PHE 55 -12.440 -14.021 1.542 438 HB3 PHE 55 1HB PHE 55 -13.769 -14.833 2.351 439 HD1 PHE 55 2HD PHE 55 -10.757 -16.136 0.553 440 HD2 PHE 55 1HD PHE 55 -12.963 -15.940 4.185 441 HE1 PHE 55 2HE PHE 55 -9.177 -17.705 1.599 442 HE2 PHE 55 1HE PHE 55 -11.379 -17.504 5.231 443 HZ PHE 55 HZ PHE 55 -9.485 -18.382 3.936 444 H SER 56 H SER 56 -13.364 -17.507 -1.004 445 HA SER 56 HA SER 56 -15.930 -18.555 -0.782 446 HB2 SER 56 2HB SER 56 -14.113 -19.072 -2.480 447 HB3 SER 56 1HB SER 56 -13.405 -20.137 -1.277 448 HG SER 56 HG SER 56 -14.733 -21.578 -1.937 449 H HIS 57 H HIS 57 -13.131 -18.979 1.250 450 HA HIS 57 HA HIS 57 -14.244 -21.201 2.762 451 HB2 HIS 57 2HB HIS 57 -11.857 -19.454 3.451 452 HB3 HIS 57 1HB HIS 57 -12.297 -20.948 4.246 453 HD1 HIS 57 1HD HIS 57 -10.780 -22.780 3.584 454 HD2 HIS 57 2HD HIS 57 -11.254 -20.008 0.536 455 HE1 HIS 57 1HE HIS 57 -9.214 -23.504 1.754 456 HE2 HIS 57 2HE HIS 57 -9.216 -21.479 0.246 457 H LYS 58 H LYS 58 -14.852 -20.994 4.961 458 HA LYS 58 HA LYS 58 -15.824 -18.340 5.597 459 HB2 LYS 58 2HB LYS 58 -16.549 -21.071 6.719 460 HB3 LYS 58 1HB LYS 58 -17.078 -19.578 7.474 461 HG2 LYS 58 2HG LYS 58 -18.858 -20.483 6.095 462 HG3 LYS 58 1HG LYS 58 -18.287 -18.964 5.412 463 HD2 LYS 58 2HD LYS 58 -16.869 -20.310 3.842 464 HD3 LYS 58 1HD LYS 58 -17.657 -21.757 4.464 465 HE2 LYS 58 2HE LYS 58 -19.805 -20.953 3.681 466 HE3 LYS 58 1HE LYS 58 -19.068 -19.438 3.152 467 HZ1 LYS 58 3HZ LYS 58 -17.713 -20.706 1.588 468 HZ2 LYS 58 1HZ LYS 58 -19.365 -20.948 1.300 469 HZ3 LYS 58 2HZ LYS 58 -18.475 -22.139 2.082 470 HA PRO 59 HA PRO 59 -12.163 -18.160 8.089 471 HB2 PRO 59 2HB PRO 59 -12.208 -15.524 8.565 472 HB3 PRO 59 1HB PRO 59 -11.819 -16.164 6.965 473 HG2 PRO 59 2HG PRO 59 -14.376 -14.987 7.964 474 HG3 PRO 59 1HG PRO 59 -13.586 -14.782 6.392 475 HD2 PRO 59 2HD PRO 59 -15.687 -16.502 6.884 476 HD3 PRO 59 1HD PRO 59 -14.532 -16.673 5.546 477 HA PRO 60 HA PRO 60 -13.834 -17.960 12.229 478 HB2 PRO 60 2HB PRO 60 -11.575 -17.823 13.664 479 HB3 PRO 60 1HB PRO 60 -12.006 -19.288 12.772 480 HG2 PRO 60 2HG PRO 60 -10.053 -17.142 12.059 481 HG3 PRO 60 1HG PRO 60 -9.909 -18.894 11.856 482 HD2 PRO 60 2HD PRO 60 -10.628 -17.138 9.845 483 HD3 PRO 60 1HD PRO 60 -11.018 -18.869 9.861 484 H LYS 61 H LYS 61 -13.691 -16.537 14.191 485 HA LYS 61 HA LYS 61 -13.495 -13.785 13.373 486 HB2 LYS 61 2HB LYS 61 -14.469 -15.082 15.925 487 HB3 LYS 61 1HB LYS 61 -14.221 -13.347 15.813 488 HG2 LYS 61 2HG LYS 61 -16.552 -13.839 15.478 489 HG3 LYS 61 1HG LYS 61 -15.864 -13.262 13.965 490 HD2 LYS 61 2HD LYS 61 -15.637 -15.656 13.257 491 HD3 LYS 61 1HD LYS 61 -16.514 -16.111 14.718 492 HE2 LYS 61 2HE LYS 61 -17.542 -14.309 12.532 493 HE3 LYS 61 1HE LYS 61 -17.985 -15.997 12.758 494 HZ1 LYS 61 3HZ LYS 61 -18.911 -15.405 14.911 495 HZ2 LYS 61 1HZ LYS 61 -19.654 -14.530 13.681 496 HZ3 LYS 61 2HZ LYS 61 -18.523 -13.786 14.669 497 H VAL 62 H VAL 62 -11.857 -12.588 13.647 498 HA VAL 62 HA VAL 62 -9.490 -13.661 14.875 499 HB VAL 62 HB VAL 62 -9.941 -11.031 13.427 500 HG11 VAL 62 1HG1 VAL 62 -8.004 -10.919 14.919 501 HG12 VAL 62 2HG1 VAL 62 -7.506 -10.904 13.228 502 HG13 VAL 62 3HG1 VAL 62 -7.345 -12.378 14.180 503 HG21 VAL 62 3HG2 VAL 62 -8.750 -13.624 12.441 504 HG22 VAL 62 1HG2 VAL 62 -8.821 -12.113 11.533 505 HG23 VAL 62 2HG2 VAL 62 -10.312 -12.948 11.973 506 H GLY 63 H GLY 63 -8.862 -13.221 16.840 507 HA2 GLY 63 2HA GLY 63 -10.386 -11.449 18.519 508 HA3 GLY 63 1HA GLY 63 -9.051 -12.477 19.020 509 H ASN 64 H ASN 64 -9.604 -9.743 16.903 510 HA ASN 64 HA ASN 64 -8.181 -7.818 18.288 511 HB2 ASN 64 2HB ASN 64 -6.117 -9.152 17.704 512 HB3 ASN 64 1HB ASN 64 -6.510 -8.947 16.000 513 HD21 ASN 64 1HD2 ASN 64 -4.482 -7.854 15.647 514 HD22 ASN 64 2HD2 ASN 64 -4.270 -6.228 16.193 515 H LEU 65 H LEU 65 -8.614 -9.005 14.991 516 HA LEU 65 HA LEU 65 -9.481 -6.328 14.179 517 HB2 LEU 65 2HB LEU 65 -8.423 -8.631 12.562 518 HB3 LEU 65 1HB LEU 65 -8.978 -7.112 11.896 519 HG LEU 65 HG LEU 65 -6.639 -7.396 13.777 520 HD11 LEU 65 1HD1 LEU 65 -5.270 -7.002 11.807 521 HD12 LEU 65 2HD1 LEU 65 -6.711 -7.028 10.787 522 HD13 LEU 65 3HD1 LEU 65 -6.205 -8.485 11.642 523 HD21 LEU 65 3HD2 LEU 65 -6.151 -5.097 13.046 524 HD22 LEU 65 1HD2 LEU 65 -7.694 -5.208 13.895 525 HD23 LEU 65 2HD2 LEU 65 -7.659 -5.081 12.137 526 HA PRO 66 HA PRO 66 -13.549 -8.021 13.422 527 HB2 PRO 66 2HB PRO 66 -14.155 -5.996 11.506 528 HB3 PRO 66 1HB PRO 66 -14.675 -6.072 13.186 529 HG2 PRO 66 2HG PRO 66 -12.743 -4.342 11.991 530 HG3 PRO 66 1HG PRO 66 -13.283 -4.378 13.679 531 HD2 PRO 66 2HD PRO 66 -10.788 -5.260 12.547 532 HD3 PRO 66 1HD PRO 66 -11.282 -5.237 14.248 533 H GLN 67 H GLN 67 -14.894 -8.521 11.424 534 HA GLN 67 HA GLN 67 -13.345 -10.308 9.925 535 HB2 GLN 67 2HB GLN 67 -16.235 -9.530 9.579 536 HB3 GLN 67 1HB GLN 67 -15.460 -10.860 8.744 537 HG2 GLN 67 2HG GLN 67 -15.514 -10.727 11.735 538 HG3 GLN 67 1HG GLN 67 -16.889 -11.332 10.830 539 HE21 GLN 67 1HE2 GLN 67 -13.580 -12.054 9.694 540 HE22 GLN 67 2HE2 GLN 67 -13.633 -13.682 10.216 541 H TYR 68 H TYR 68 -14.243 -7.019 9.158 542 HA TYR 68 HA TYR 68 -14.190 -7.588 6.367 543 HB2 TYR 68 2HB TYR 68 -14.339 -5.103 5.954 544 HB3 TYR 68 1HB TYR 68 -15.661 -5.815 6.847 545 HD1 TYR 68 1HD TYR 68 -16.020 -5.231 9.191 546 HD2 TYR 68 2HD TYR 68 -12.818 -3.441 6.995 547 HE1 TYR 68 1HE TYR 68 -15.833 -3.456 10.877 548 HE2 TYR 68 2HE TYR 68 -12.650 -1.693 8.661 549 HH TYR 68 HH TYR 68 -14.041 -0.620 10.358 550 H GLU 69 H GLU 69 -11.747 -6.094 8.472 551 HA GLU 69 HA GLU 69 -10.036 -5.762 6.201 552 HB2 GLU 69 2HB GLU 69 -9.032 -5.872 9.036 553 HB3 GLU 69 1HB GLU 69 -8.397 -4.960 7.675 554 HG2 GLU 69 2HG GLU 69 -9.450 -3.190 8.688 555 HG3 GLU 69 1HG GLU 69 -10.836 -3.884 7.892 556 H SER 70 H SER 70 -10.609 -8.135 8.642 557 HA SER 70 HA SER 70 -8.405 -9.761 8.099 558 HB2 SER 70 2HB SER 70 -11.098 -10.506 9.243 559 HB3 SER 70 1HB SER 70 -9.627 -11.479 9.350 560 HG SER 70 HG SER 70 -10.369 -9.206 10.737 561 H GLU 71 H GLU 71 -11.523 -9.426 6.471 562 HA GLU 71 HA GLU 71 -11.369 -11.838 5.011 563 HB2 GLU 71 2HB GLU 71 -13.483 -10.524 5.167 564 HB3 GLU 71 1HB GLU 71 -12.752 -9.262 4.187 565 HG2 GLU 71 2HG GLU 71 -12.616 -10.725 2.291 566 HG3 GLU 71 1HG GLU 71 -13.149 -12.097 3.248 567 H ALA 72 H ALA 72 -10.201 -8.591 4.448 568 HA ALA 72 HA ALA 72 -9.121 -8.990 1.866 569 HB1 ALA 72 1HB ALA 72 -8.102 -7.173 4.050 570 HB2 ALA 72 2HB ALA 72 -9.365 -6.770 2.886 571 HB3 ALA 72 3HB ALA 72 -7.714 -7.050 2.335 572 H ILE 73 H ILE 73 -7.652 -9.309 5.051 573 HA ILE 73 HA ILE 73 -5.138 -10.267 4.307 574 HB ILE 73 HB ILE 73 -6.754 -11.053 6.751 575 HG12 ILE 73 2HG1 ILE 73 -4.681 -8.868 6.396 576 HG13 ILE 73 1HG1 ILE 73 -6.416 -8.619 6.538 577 HG21 ILE 73 1HG2 ILE 73 -3.774 -11.278 6.263 578 HG22 ILE 73 2HG2 ILE 73 -4.912 -12.618 6.384 579 HG23 ILE 73 3HG2 ILE 73 -4.590 -11.608 7.792 580 HD11 ILE 73 3HD1 ILE 73 -4.621 -9.778 8.653 581 HD12 ILE 73 1HD1 ILE 73 -6.355 -9.505 8.810 582 HD13 ILE 73 2HD1 ILE 73 -5.259 -8.134 8.623 583 H MET 74 H MET 74 -8.110 -12.078 4.924 584 HA MET 74 HA MET 74 -7.019 -14.639 4.559 585 HB2 MET 74 2HB MET 74 -9.857 -13.679 4.311 586 HB3 MET 74 1HB MET 74 -9.406 -15.365 4.187 587 HG2 MET 74 2HG MET 74 -8.770 -13.721 6.624 588 HG3 MET 74 1HG MET 74 -10.323 -14.499 6.413 589 HE1 MET 74 3HE MET 74 -6.563 -16.110 5.634 590 HE2 MET 74 1HE MET 74 -6.313 -16.666 7.271 591 HE3 MET 74 2HE MET 74 -6.479 -14.933 6.952 592 H VAL 75 H VAL 75 -8.626 -12.504 2.237 593 HA VAL 75 HA VAL 75 -8.442 -14.407 0.136 594 HB VAL 75 HB VAL 75 -8.876 -11.397 -0.018 595 HG11 VAL 75 1HG1 VAL 75 -9.187 -13.462 -2.210 596 HG12 VAL 75 2HG1 VAL 75 -7.942 -12.213 -2.145 597 HG13 VAL 75 3HG1 VAL 75 -9.638 -11.760 -2.325 598 HG21 VAL 75 3HG2 VAL 75 -10.753 -13.744 -0.207 599 HG22 VAL 75 1HG2 VAL 75 -11.208 -12.066 -0.505 600 HG23 VAL 75 2HG2 VAL 75 -10.661 -12.558 1.096 601 H ALA 76 H ALA 76 -6.317 -11.852 1.262 602 HA ALA 76 HA ALA 76 -4.432 -12.035 -0.828 603 HB1 ALA 76 1HB ALA 76 -4.449 -10.185 0.750 604 HB2 ALA 76 2HB ALA 76 -2.870 -10.978 0.731 605 HB3 ALA 76 3HB ALA 76 -3.996 -11.276 2.058 606 H PHE 77 H PHE 77 -4.839 -13.769 2.167 607 HA PHE 77 HA PHE 77 -2.507 -15.351 2.047 608 HB2 PHE 77 2HB PHE 77 -3.857 -15.034 4.090 609 HB3 PHE 77 1HB PHE 77 -5.192 -15.892 3.345 610 HD1 PHE 77 2HD PHE 77 -1.694 -16.300 4.496 611 HD2 PHE 77 1HD PHE 77 -5.389 -18.203 3.599 612 HE1 PHE 77 2HE PHE 77 -0.843 -18.401 5.457 613 HE2 PHE 77 1HE PHE 77 -4.551 -20.303 4.563 614 HZ PHE 77 HZ PHE 77 -2.272 -20.405 5.493 615 H GLU 78 H GLU 78 -5.785 -15.822 0.861 616 HA GLU 78 HA GLU 78 -5.544 -18.450 -0.093 617 HB2 GLU 78 2HB GLU 78 -7.663 -17.374 0.382 618 HB3 GLU 78 1HB GLU 78 -7.378 -16.182 -0.867 619 HG2 GLU 78 2HG GLU 78 -9.018 -17.857 -1.534 620 HG3 GLU 78 1HG GLU 78 -7.606 -17.860 -2.579 621 H LEU 79 H LEU 79 -5.052 -15.320 -1.663 622 HA LEU 79 HA LEU 79 -4.453 -16.550 -4.235 623 HB2 LEU 79 2HB LEU 79 -4.407 -13.698 -3.303 624 HB3 LEU 79 1HB LEU 79 -4.044 -14.197 -4.944 625 HG LEU 79 HG LEU 79 -6.657 -14.619 -3.538 626 HD11 LEU 79 1HD1 LEU 79 -6.219 -12.234 -3.956 627 HD12 LEU 79 2HD1 LEU 79 -7.489 -12.825 -5.025 628 HD13 LEU 79 3HD1 LEU 79 -5.851 -12.595 -5.643 629 HD21 LEU 79 3HD2 LEU 79 -6.262 -16.272 -5.228 630 HD22 LEU 79 1HD2 LEU 79 -5.816 -15.027 -6.401 631 HD23 LEU 79 2HD2 LEU 79 -7.474 -15.127 -5.806 632 H ASN 80 H ASN 80 -2.805 -15.856 -1.456 633 HA ASN 80 HA ASN 80 -0.615 -15.659 -0.807 634 HB2 ASN 80 2HB ASN 80 -0.501 -17.779 -2.293 635 HB3 ASN 80 1HB ASN 80 0.067 -16.744 -3.584 636 HD21 ASN 80 1HD2 ASN 80 1.870 -15.171 -1.895 637 HD22 ASN 80 2HD2 ASN 80 3.174 -16.213 -1.464 638 H ALA 81 H ALA 81 -1.870 -13.529 -1.662 639 HA ALA 81 HA ALA 81 -0.537 -12.210 -3.870 640 HB1 ALA 81 1HB ALA 81 -2.958 -12.297 -3.818 641 HB2 ALA 81 2HB ALA 81 -2.366 -10.638 -3.729 642 HB3 ALA 81 3HB ALA 81 -2.959 -11.441 -2.277 643 H LEU 82 H LEU 82 -0.511 -9.794 -3.544 644 HA LEU 82 HA LEU 82 1.216 -9.121 -1.312 645 HB2 LEU 82 2HB LEU 82 1.573 -8.565 -3.819 646 HB3 LEU 82 1HB LEU 82 0.229 -7.470 -3.661 647 HG LEU 82 HG LEU 82 2.356 -6.295 -3.666 648 HD11 LEU 82 1HD1 LEU 82 2.158 -4.969 -1.656 649 HD12 LEU 82 2HD1 LEU 82 1.081 -6.180 -0.961 650 HD13 LEU 82 3HD1 LEU 82 0.583 -5.275 -2.394 651 HD21 LEU 82 3HD2 LEU 82 3.955 -6.548 -1.849 652 HD22 LEU 82 1HD2 LEU 82 3.769 -8.030 -2.788 653 HD23 LEU 82 2HD2 LEU 82 3.007 -7.885 -1.205 654 H LEU 83 H LEU 83 0.241 -8.105 0.454 655 HA LEU 83 HA LEU 83 -2.522 -7.236 0.036 656 HB2 LEU 83 2HB LEU 83 -2.183 -8.925 1.798 657 HB3 LEU 83 1HB LEU 83 -1.104 -7.832 2.636 658 HG LEU 83 HG LEU 83 -3.016 -6.234 2.883 659 HD11 LEU 83 1HD1 LEU 83 -4.641 -8.559 1.899 660 HD12 LEU 83 2HD1 LEU 83 -4.415 -7.018 1.066 661 HD13 LEU 83 3HD1 LEU 83 -5.277 -7.078 2.601 662 HD21 LEU 83 3HD2 LEU 83 -4.117 -7.487 4.674 663 HD22 LEU 83 1HD2 LEU 83 -2.364 -7.663 4.723 664 HD23 LEU 83 2HD2 LEU 83 -3.360 -8.970 4.085 665 H ILE 84 H ILE 84 -2.936 -5.183 -0.045 666 HA ILE 84 HA ILE 84 -0.913 -3.313 0.933 667 HB ILE 84 HB ILE 84 -3.245 -2.785 -0.946 668 HG12 ILE 84 2HG1 ILE 84 -0.290 -3.101 -1.561 669 HG13 ILE 84 1HG1 ILE 84 -1.533 -4.282 -1.924 670 HG21 ILE 84 1HG2 ILE 84 -0.881 -1.053 -0.181 671 HG22 ILE 84 2HG2 ILE 84 -2.552 -0.802 0.323 672 HG23 ILE 84 3HG2 ILE 84 -2.110 -0.638 -1.374 673 HD11 ILE 84 3HD1 ILE 84 -1.414 -1.508 -3.071 674 HD12 ILE 84 1HD1 ILE 84 -2.573 -2.766 -3.482 675 HD13 ILE 84 2HD1 ILE 84 -0.865 -2.976 -3.884 676 H ALA 85 H ALA 85 -1.300 -2.534 2.858 677 HA ALA 85 HA ALA 85 -4.028 -1.925 3.648 678 HB1 ALA 85 1HB ALA 85 -3.603 -4.167 4.507 679 HB2 ALA 85 2HB ALA 85 -3.697 -3.000 5.829 680 HB3 ALA 85 3HB ALA 85 -2.129 -3.599 5.289 681 H GLU 86 H GLU 86 -4.060 -0.523 5.515 682 HA GLU 86 HA GLU 86 -1.622 1.097 5.655 683 HB2 GLU 86 2HB GLU 86 -4.496 1.841 5.627 684 HB3 GLU 86 1HB GLU 86 -3.341 2.872 6.461 685 HG2 GLU 86 2HG GLU 86 -3.050 2.005 3.616 686 HG3 GLU 86 1HG GLU 86 -3.831 3.510 4.117 687 H ASP 87 H ASP 87 -4.028 -0.563 7.483 688 HA ASP 87 HA ASP 87 -3.291 0.821 9.869 689 HB2 ASP 87 2HB ASP 87 -5.591 0.190 9.741 690 HB3 ASP 87 1HB ASP 87 -5.157 -1.505 9.505 691 H LYS 88 H LYS 88 -2.249 0.236 11.456 692 HA LYS 88 HA LYS 88 0.120 -1.116 11.485 693 HB2 LYS 88 2HB LYS 88 -1.758 -0.871 13.820 694 HB3 LYS 88 1HB LYS 88 -0.012 -1.003 13.898 695 HG2 LYS 88 2HG LYS 88 0.286 1.183 13.021 696 HG3 LYS 88 1HG LYS 88 -1.412 1.334 12.592 697 HD2 LYS 88 2HD LYS 88 -0.282 1.159 15.392 698 HD3 LYS 88 1HD LYS 88 -0.897 2.609 14.607 699 HE2 LYS 88 2HE LYS 88 -2.525 0.146 15.346 700 HE3 LYS 88 1HE LYS 88 -2.539 1.690 16.172 701 HZ1 LYS 88 3HZ LYS 88 -4.445 1.517 14.770 702 HZ2 LYS 88 1HZ LYS 88 -3.551 1.183 13.396 703 HZ3 LYS 88 2HZ LYS 88 -3.447 2.687 14.109 704 H ASP 89 H ASP 89 -2.990 -2.294 12.815 705 HA ASP 89 HA ASP 89 -1.895 -4.785 13.590 706 HB2 ASP 89 2HB ASP 89 -4.656 -3.623 13.643 707 HB3 ASP 89 1HB ASP 89 -4.312 -5.277 14.131 708 H VAL 90 H VAL 90 -3.931 -3.641 11.014 709 HA VAL 90 HA VAL 90 -4.624 -6.151 9.950 710 HB VAL 90 HB VAL 90 -4.252 -3.552 8.415 711 HG11 VAL 90 1HG1 VAL 90 -5.802 -6.042 7.669 712 HG12 VAL 90 2HG1 VAL 90 -4.296 -5.503 6.928 713 HG13 VAL 90 3HG1 VAL 90 -5.759 -4.536 6.748 714 HG21 VAL 90 3HG2 VAL 90 -6.738 -4.763 9.615 715 HG22 VAL 90 1HG2 VAL 90 -6.661 -3.272 8.681 716 HG23 VAL 90 2HG2 VAL 90 -5.870 -3.371 10.257 717 H ILE 91 H ILE 91 -1.925 -3.994 9.050 718 HA ILE 91 HA ILE 91 -0.703 -5.699 7.183 719 HB ILE 91 HB ILE 91 0.582 -3.649 9.024 720 HG12 ILE 91 2HG1 ILE 91 -0.205 -3.381 6.118 721 HG13 ILE 91 1HG1 ILE 91 -1.184 -2.789 7.461 722 HG21 ILE 91 1HG2 ILE 91 2.462 -3.619 7.431 723 HG22 ILE 91 2HG2 ILE 91 1.713 -4.932 6.525 724 HG23 ILE 91 3HG2 ILE 91 2.271 -5.212 8.166 725 HD11 ILE 91 3HD1 ILE 91 0.628 -1.283 8.087 726 HD12 ILE 91 1HD1 ILE 91 0.101 -1.007 6.427 727 HD13 ILE 91 2HD1 ILE 91 1.597 -1.890 6.743 728 H ASN 92 H ASN 92 -0.277 -5.340 10.664 729 HA ASN 92 HA ASN 92 1.905 -7.093 10.924 730 HB2 ASN 92 2HB ASN 92 1.226 -5.380 12.614 731 HB3 ASN 92 1HB ASN 92 -0.121 -6.418 13.058 732 HD21 ASN 92 1HD2 ASN 92 0.313 -8.357 14.228 733 HD22 ASN 92 2HD2 ASN 92 1.841 -8.607 14.962 734 H LYS 93 H LYS 93 -1.601 -7.680 11.120 735 HA LYS 93 HA LYS 93 -1.343 -10.287 12.211 736 HB2 LYS 93 2HB LYS 93 -3.400 -8.584 11.970 737 HB3 LYS 93 1HB LYS 93 -3.709 -9.573 10.558 738 HG2 LYS 93 2HG LYS 93 -3.494 -10.557 13.406 739 HG3 LYS 93 1HG LYS 93 -4.986 -10.342 12.494 740 HD2 LYS 93 2HD LYS 93 -4.378 -12.103 10.987 741 HD3 LYS 93 1HD LYS 93 -2.760 -12.200 11.677 742 HE2 LYS 93 2HE LYS 93 -5.351 -12.902 13.053 743 HE3 LYS 93 1HE LYS 93 -4.122 -14.006 12.429 744 HZ1 LYS 93 3HZ LYS 93 -3.781 -13.793 14.796 745 HZ2 LYS 93 1HZ LYS 93 -3.822 -12.123 14.720 746 HZ3 LYS 93 2HZ LYS 93 -2.530 -12.931 14.088 747 H ALA 94 H ALA 94 -1.676 -9.012 8.975 748 HA ALA 94 HA ALA 94 -1.748 -11.492 7.635 749 HB1 ALA 94 1HB ALA 94 -0.731 -8.829 6.662 750 HB2 ALA 94 2HB ALA 94 -2.403 -9.379 6.586 751 HB3 ALA 94 3HB ALA 94 -1.163 -10.199 5.640 752 H LYS 95 H LYS 95 0.838 -9.382 8.694 753 HA LYS 95 HA LYS 95 2.997 -10.742 7.495 754 HB2 LYS 95 2HB LYS 95 2.928 -8.386 8.556 755 HB3 LYS 95 1HB LYS 95 3.118 -9.209 10.087 756 HG2 LYS 95 2HG LYS 95 5.282 -8.463 9.413 757 HG3 LYS 95 1HG LYS 95 5.226 -10.207 9.226 758 HD2 LYS 95 2HD LYS 95 6.336 -9.194 7.316 759 HD3 LYS 95 1HD LYS 95 4.818 -9.929 6.809 760 HE2 LYS 95 2HE LYS 95 5.137 -7.748 5.746 761 HE3 LYS 95 1HE LYS 95 3.744 -7.701 6.815 762 HZ1 LYS 95 3HZ LYS 95 6.454 -6.674 7.466 763 HZ2 LYS 95 1HZ LYS 95 5.120 -6.596 8.481 764 HZ3 LYS 95 2HZ LYS 95 5.136 -5.738 7.034 765 H GLU 96 H GLU 96 1.320 -11.083 10.574 766 HA GLU 96 HA GLU 96 2.868 -12.997 11.891 767 HB2 GLU 96 2HB GLU 96 -0.135 -12.656 11.825 768 HB3 GLU 96 1HB GLU 96 0.692 -13.745 12.919 769 HG2 GLU 96 2HG GLU 96 1.715 -11.915 14.063 770 HG3 GLU 96 1HG GLU 96 1.146 -10.774 12.842 771 H LEU 97 H LEU 97 0.393 -13.356 9.427 772 HA LEU 97 HA LEU 97 0.482 -16.239 9.480 773 HB2 LEU 97 2HB LEU 97 -0.888 -14.363 7.559 774 HB3 LEU 97 1HB LEU 97 -1.113 -16.097 7.605 775 HG LEU 97 HG LEU 97 -1.884 -14.156 9.789 776 HD11 LEU 97 1HD1 LEU 97 -4.176 -14.729 9.172 777 HD12 LEU 97 2HD1 LEU 97 -3.570 -15.721 7.849 778 HD13 LEU 97 3HD1 LEU 97 -3.308 -13.976 7.834 779 HD21 LEU 97 3HD2 LEU 97 -2.995 -16.093 10.823 780 HD22 LEU 97 1HD2 LEU 97 -1.249 -16.318 10.725 781 HD23 LEU 97 2HD2 LEU 97 -2.310 -17.141 9.581 782 H GLY 98 H GLY 98 2.354 -13.875 8.062 783 HA2 GLY 98 2HA GLY 98 4.313 -14.313 6.850 784 HA3 GLY 98 1HA GLY 98 3.654 -15.878 6.386 785 H VAL 99 H VAL 99 1.548 -13.222 6.031 786 HA VAL 99 HA VAL 99 1.740 -13.445 3.139 787 HB VAL 99 HB VAL 99 -0.210 -11.859 4.851 788 HG11 VAL 99 1HG1 VAL 99 -1.613 -11.755 2.840 789 HG12 VAL 99 2HG1 VAL 99 -0.353 -12.580 1.922 790 HG13 VAL 99 3HG1 VAL 99 -0.050 -10.976 2.586 791 HG21 VAL 99 3HG2 VAL 99 -0.436 -14.239 5.285 792 HG22 VAL 99 1HG2 VAL 99 -0.580 -14.554 3.556 793 HG23 VAL 99 2HG2 VAL 99 -1.834 -13.637 4.389 794 H ASN 100 H ASN 100 2.416 -11.726 1.866 795 HA ASN 100 HA ASN 100 3.979 -9.778 3.289 796 HB2 ASN 100 2HB ASN 100 4.943 -10.851 1.280 797 HB3 ASN 100 1HB ASN 100 3.670 -10.127 0.300 798 HD21 ASN 100 1HD2 ASN 100 5.393 -9.176 -0.915 799 HD22 ASN 100 2HD2 ASN 100 6.152 -7.722 -0.363 800 H ALA 101 H ALA 101 2.575 -8.558 4.280 801 HA ALA 101 HA ALA 101 0.790 -6.868 2.698 802 HB1 ALA 101 1HB ALA 101 -0.210 -6.265 4.847 803 HB2 ALA 101 2HB ALA 101 0.987 -7.252 5.686 804 HB3 ALA 101 3HB ALA 101 -0.203 -8.016 4.634 805 H ILE 102 H ILE 102 1.271 -4.792 2.431 806 HA ILE 102 HA ILE 102 3.338 -3.659 4.092 807 HB ILE 102 HB ILE 102 4.333 -2.528 2.026 808 HG12 ILE 102 2HG1 ILE 102 4.179 -3.981 -0.091 809 HG13 ILE 102 1HG1 ILE 102 2.752 -4.696 0.631 810 HG21 ILE 102 1HG2 ILE 102 5.825 -4.381 1.522 811 HG22 ILE 102 2HG2 ILE 102 4.705 -5.484 2.320 812 HG23 ILE 102 3HG2 ILE 102 5.511 -4.226 3.253 813 HD11 ILE 102 3HD1 ILE 102 3.103 -1.792 -0.053 814 HD12 ILE 102 1HD1 ILE 102 1.654 -2.524 0.627 815 HD13 ILE 102 2HD1 ILE 102 2.187 -2.967 -0.997 816 HA PRO 103 HA PRO 103 0.772 -0.035 4.141 817 HB2 PRO 103 2HB PRO 103 3.172 1.656 4.075 818 HB3 PRO 103 1HB PRO 103 1.991 1.461 5.370 819 HG2 PRO 103 2HG PRO 103 4.497 0.502 5.555 820 HG3 PRO 103 1HG PRO 103 3.117 -0.315 6.307 821 HD2 PRO 103 2HD PRO 103 4.574 -0.966 3.783 822 HD3 PRO 103 1HD PRO 103 3.930 -2.044 5.038 823 H ILE 104 H ILE 104 0.228 1.861 2.901 824 HA ILE 104 HA ILE 104 0.408 1.448 0.156 825 HB ILE 104 HB ILE 104 -0.587 3.769 1.773 826 HG12 ILE 104 2HG1 ILE 104 -1.909 1.649 0.089 827 HG13 ILE 104 1HG1 ILE 104 -1.849 1.719 1.844 828 HG21 ILE 104 1HG2 ILE 104 -0.689 3.557 -1.240 829 HG22 ILE 104 2HG2 ILE 104 0.209 4.755 -0.311 830 HG23 ILE 104 3HG2 ILE 104 -1.554 4.745 -0.263 831 HD11 ILE 104 3HD1 ILE 104 -4.007 2.421 1.014 832 HD12 ILE 104 1HD1 ILE 104 -3.222 3.644 0.018 833 HD13 ILE 104 2HD1 ILE 104 -3.170 3.774 1.777 834 H GLU 105 H GLU 105 2.222 3.763 2.128 835 HA GLU 105 HA GLU 105 3.438 5.048 -0.040 836 HB2 GLU 105 2HB GLU 105 4.368 4.754 2.778 837 HB3 GLU 105 1HB GLU 105 5.187 5.710 1.533 838 HG2 GLU 105 2HG GLU 105 2.372 6.141 2.470 839 HG3 GLU 105 1HG GLU 105 3.809 7.035 2.973 840 H GLU 106 H GLU 106 4.103 2.016 1.433 841 HA GLU 106 HA GLU 106 6.811 1.659 0.541 842 HB2 GLU 106 2HB GLU 106 5.397 0.406 2.380 843 HB3 GLU 106 1HB GLU 106 4.829 -0.566 1.041 844 HG2 GLU 106 2HG GLU 106 7.665 -0.330 2.048 845 HG3 GLU 106 1HG GLU 106 6.591 -1.701 2.238 846 H LEU 107 H LEU 107 3.598 0.710 -0.541 847 HA LEU 107 HA LEU 107 4.317 -0.636 -2.908 848 HB2 LEU 107 2HB LEU 107 2.118 -0.781 -1.669 849 HB3 LEU 107 1HB LEU 107 1.733 0.811 -2.255 850 HG LEU 107 HG LEU 107 0.564 -1.082 -3.401 851 HD11 LEU 107 1HD1 LEU 107 2.248 0.651 -5.181 852 HD12 LEU 107 2HD1 LEU 107 0.673 1.055 -4.501 853 HD13 LEU 107 3HD1 LEU 107 0.815 -0.251 -5.678 854 HD21 LEU 107 3HD2 LEU 107 2.381 -2.695 -3.442 855 HD22 LEU 107 1HD2 LEU 107 3.292 -1.664 -4.548 856 HD23 LEU 107 2HD2 LEU 107 1.774 -2.394 -5.069 857 H LEU 108 H LEU 108 3.378 2.709 -2.247 858 HA LEU 108 HA LEU 108 3.444 3.711 -4.873 859 HB2 LEU 108 2HB LEU 108 4.052 5.132 -2.284 860 HB3 LEU 108 1HB LEU 108 3.791 5.932 -3.818 861 HG LEU 108 HG LEU 108 1.722 4.281 -2.367 862 HD11 LEU 108 1HD1 LEU 108 0.686 6.437 -1.829 863 HD12 LEU 108 2HD1 LEU 108 2.049 7.268 -2.578 864 HD13 LEU 108 3HD1 LEU 108 2.299 6.298 -1.130 865 HD21 LEU 108 3HD2 LEU 108 1.501 6.096 -4.779 866 HD22 LEU 108 1HD2 LEU 108 0.152 5.311 -3.960 867 HD23 LEU 108 2HD2 LEU 108 1.359 4.336 -4.787 868 H ALA 109 H ALA 109 5.997 3.408 -2.456 869 HA ALA 109 HA ALA 109 8.011 4.744 -3.947 870 HB1 ALA 109 1HB ALA 109 9.563 3.794 -2.313 871 HB2 ALA 109 2HB ALA 109 8.299 2.708 -1.735 872 HB3 ALA 109 3HB ALA 109 8.133 4.448 -1.509 873 H SER 110 H SER 110 6.666 1.620 -4.100 874 HA SER 110 HA SER 110 8.956 0.450 -5.436 875 HB2 SER 110 2HB SER 110 6.276 -0.724 -4.725 876 HB3 SER 110 1HB SER 110 7.678 -1.608 -5.333 877 HG SER 110 HG SER 110 7.305 -0.342 -2.835 878 H SER 111 H SER 111 6.817 2.550 -6.517 879 HA SER 111 HA SER 111 5.908 1.162 -8.855 880 HB2 SER 111 2HB SER 111 5.968 4.151 -8.359 881 HB3 SER 111 1HB SER 111 4.971 3.292 -9.527 882 HG SER 111 HG SER 111 4.655 3.629 -6.825 883 H LEU 112 H LEU 112 7.697 0.390 -9.813 884 HA LEU 112 HA LEU 112 9.227 2.165 -11.394 885 HB2 LEU 112 2HB LEU 112 11.435 1.158 -10.532 886 HB3 LEU 112 1HB LEU 112 10.689 2.426 -9.591 887 HG LEU 112 HG LEU 112 9.721 0.583 -8.152 888 HD11 LEU 112 1HD1 LEU 112 11.824 -1.079 -9.515 889 HD12 LEU 112 2HD1 LEU 112 10.079 -1.328 -9.575 890 HD13 LEU 112 3HD1 LEU 112 10.946 -1.538 -8.056 891 HD21 LEU 112 3HD2 LEU 112 12.697 1.035 -8.174 892 HD22 LEU 112 1HD2 LEU 112 11.783 0.365 -6.821 893 HD23 LEU 112 2HD2 LEU 112 11.475 2.013 -7.366 894 H GLU 113 H GLU 113 10.656 0.890 -12.866 895 HA GLU 113 HA GLU 113 9.194 -1.494 -13.534 896 HB2 GLU 113 2HB GLU 113 10.692 -1.293 -15.695 897 HB3 GLU 113 1HB GLU 113 9.285 -0.270 -15.475 898 HG2 GLU 113 2HG GLU 113 11.328 0.877 -16.357 899 HG3 GLU 113 1HG GLU 113 10.639 1.604 -14.904 900 H HIS 114 H HIS 114 12.201 -0.633 -12.223 901 HA HIS 114 HA HIS 114 13.657 -1.856 -11.007 902 HB2 HIS 114 2HB HIS 114 11.721 -3.267 -10.350 903 HB3 HIS 114 1HB HIS 114 11.977 -4.270 -11.764 904 HD1 HIS 114 1HD HIS 114 13.656 -3.393 -8.471 905 HD2 HIS 114 2HD HIS 114 13.715 -6.369 -11.359 906 HE1 HIS 114 1HE HIS 114 15.055 -5.216 -7.522 907 HE2 HIS 114 2HE HIS 114 14.949 -7.068 -9.212 908 H HIS 115 H HIS 115 13.801 -1.579 -14.110 909 HA HIS 115 HA HIS 115 15.954 -3.535 -14.300 910 HB2 HIS 115 2HB HIS 115 15.627 -3.641 -16.808 911 HB3 HIS 115 1HB HIS 115 14.385 -4.404 -15.838 912 HD1 HIS 115 1HD HIS 115 14.932 -1.493 -18.206 913 HD2 HIS 115 2HD HIS 115 11.854 -3.337 -16.107 914 HE1 HIS 115 1HE HIS 115 12.834 -0.496 -19.079 915 HE2 HIS 115 2HE HIS 115 11.000 -1.810 -17.990 916 H HIS 116 H HIS 116 14.982 -0.286 -15.092 917 HA HIS 116 HA HIS 116 16.133 1.607 -15.529 918 HB2 HIS 116 2HB HIS 116 18.604 -0.014 -14.823 919 HB3 HIS 116 1HB HIS 116 18.643 1.696 -15.201 920 HD1 HIS 116 1HD HIS 116 18.096 -0.697 -12.471 921 HD2 HIS 116 2HD HIS 116 17.389 3.333 -13.181 922 HE1 HIS 116 1HE HIS 116 17.735 0.322 -10.227 923 HE2 HIS 116 2HE HIS 116 17.005 2.683 -10.736 924 H HIS 117 H HIS 117 18.239 -0.930 -16.649 925 HA HIS 117 HA HIS 117 17.760 -0.353 -19.418 926 HB2 HIS 117 2HB HIS 117 20.103 0.088 -19.975 927 HB3 HIS 117 1HB HIS 117 19.614 1.274 -18.774 928 HD1 HIS 117 1HD HIS 117 22.337 -0.886 -19.583 929 HD2 HIS 117 2HD HIS 117 20.557 0.295 -16.014 930 HE1 HIS 117 1HE HIS 117 23.985 -1.433 -17.791 931 HE2 HIS 117 2HE HIS 117 22.831 -0.853 -15.631 932 H HIS 118 H HIS 118 17.938 -2.333 -20.435 933 HA HIS 118 HA HIS 118 18.913 -4.508 -18.771 934 HB2 HIS 118 2HB HIS 118 16.795 -4.734 -20.191 935 HB3 HIS 118 1HB HIS 118 17.844 -4.752 -21.603 936 HD1 HIS 118 1HD HIS 118 17.697 -7.132 -22.354 937 HD2 HIS 118 2HD HIS 118 18.354 -6.822 -18.273 938 HE1 HIS 118 1HE HIS 118 18.040 -9.488 -21.543 939 HE2 HIS 118 2HE HIS 118 18.851 -9.150 -19.178 940 H HIS 119 H HIS 119 19.675 -2.676 -21.555 941 HA HIS 119 HA HIS 119 22.422 -3.548 -21.363 942 HB2 HIS 119 2HB HIS 119 21.387 -4.697 -23.343 943 HB3 HIS 119 1HB HIS 119 20.934 -3.117 -23.975 944 HD1 HIS 119 1HD HIS 119 22.618 -2.071 -25.548 945 HD2 HIS 119 2HD HIS 119 24.312 -4.997 -23.121 946 HE1 HIS 119 1HE HIS 119 24.973 -2.315 -26.320 947 HE2 HIS 119 2HE HIS 119 26.030 -3.900 -24.682 Start of MODEL 4 1 H1 MET 1 1HT MET 1 1.919 -11.294 -10.814 2 H2 MET 1 2HT MET 1 1.289 -9.730 -10.590 3 H3 MET 1 3HT MET 1 0.276 -11.008 -10.984 4 HA MET 1 HA MET 1 0.622 -12.090 -8.949 5 HB2 MET 1 2HB MET 1 2.997 -11.268 -8.681 6 HB3 MET 1 1HB MET 1 2.350 -9.702 -8.222 7 HG2 MET 1 2HG MET 1 1.307 -10.685 -6.261 8 HG3 MET 1 1HG MET 1 1.879 -12.282 -6.735 9 HE1 MET 1 2HE MET 1 2.386 -11.219 -3.852 10 HE2 MET 1 3HE MET 1 4.094 -11.597 -3.618 11 HE3 MET 1 1HE MET 1 3.038 -12.751 -4.433 12 H PHE 2 H PHE 2 -0.824 -11.639 -7.247 13 HA PHE 2 HA PHE 2 -2.623 -9.467 -7.882 14 HB2 PHE 2 2HB PHE 2 -2.836 -11.676 -5.833 15 HB3 PHE 2 1HB PHE 2 -4.092 -10.505 -6.186 16 HD1 PHE 2 1HD PHE 2 -5.280 -10.594 -8.340 17 HD2 PHE 2 2HD PHE 2 -2.474 -13.578 -7.199 18 HE1 PHE 2 1HE PHE 2 -6.215 -12.109 -10.029 19 HE2 PHE 2 2HE PHE 2 -3.402 -15.100 -8.888 20 HZ PHE 2 HZ PHE 2 -5.278 -14.368 -10.308 21 H ALA 3 H ALA 3 -3.352 -7.989 -6.345 22 HA ALA 3 HA ALA 3 -1.811 -7.711 -3.885 23 HB1 ALA 3 1HB ALA 3 -2.428 -5.472 -5.835 24 HB2 ALA 3 2HB ALA 3 -0.832 -6.134 -5.499 25 HB3 ALA 3 3HB ALA 3 -1.709 -5.268 -4.239 26 H VAL 4 H VAL 4 -3.285 -7.890 -2.356 27 HA VAL 4 HA VAL 4 -6.048 -7.272 -3.018 28 HB VAL 4 HB VAL 4 -4.936 -8.692 -0.582 29 HG11 VAL 4 1HG1 VAL 4 -7.256 -9.410 -0.192 30 HG12 VAL 4 2HG1 VAL 4 -7.782 -8.446 -1.572 31 HG13 VAL 4 3HG1 VAL 4 -7.108 -7.653 -0.145 32 HG21 VAL 4 3HG2 VAL 4 -6.219 -9.840 -3.065 33 HG22 VAL 4 1HG2 VAL 4 -5.792 -10.748 -1.620 34 HG23 VAL 4 2HG2 VAL 4 -4.530 -9.993 -2.597 35 H ILE 5 H ILE 5 -7.078 -5.657 -2.188 36 HA ILE 5 HA ILE 5 -5.573 -3.742 -0.602 37 HB ILE 5 HB ILE 5 -8.204 -3.463 -2.091 38 HG12 ILE 5 2HG1 ILE 5 -5.434 -2.537 -2.896 39 HG13 ILE 5 1HG1 ILE 5 -6.247 -3.956 -3.547 40 HG21 ILE 5 1HG2 ILE 5 -6.384 -1.354 -0.915 41 HG22 ILE 5 2HG2 ILE 5 -7.944 -1.833 -0.246 42 HG23 ILE 5 3HG2 ILE 5 -7.864 -1.044 -1.819 43 HD11 ILE 5 3HD1 ILE 5 -7.984 -2.525 -4.481 44 HD12 ILE 5 1HD1 ILE 5 -6.385 -2.065 -5.060 45 HD13 ILE 5 2HD1 ILE 5 -7.172 -1.111 -3.805 46 H SER 6 H SER 6 -6.036 -3.511 1.518 47 HA SER 6 HA SER 6 -8.438 -4.768 2.551 48 HB2 SER 6 2HB SER 6 -6.118 -3.449 3.996 49 HB3 SER 6 1HB SER 6 -7.422 -4.372 4.747 50 HG SER 6 HG SER 6 -6.230 -5.696 2.721 51 HA PRO 7 HA PRO 7 -10.896 -1.083 2.778 52 HB2 PRO 7 2HB PRO 7 -11.228 -1.667 5.686 53 HB3 PRO 7 1HB PRO 7 -12.461 -1.322 4.464 54 HG2 PRO 7 2HG PRO 7 -12.095 -3.801 5.247 55 HG3 PRO 7 1HG PRO 7 -12.295 -3.455 3.518 56 HD2 PRO 7 2HD PRO 7 -9.800 -4.066 5.059 57 HD3 PRO 7 1HD PRO 7 -10.297 -4.625 3.447 58 H SER 8 H SER 8 -8.269 -1.379 5.104 59 HA SER 8 HA SER 8 -8.250 1.233 6.165 60 HB2 SER 8 2HB SER 8 -5.885 -0.507 5.532 61 HB3 SER 8 1HB SER 8 -6.061 0.664 6.844 62 HG SER 8 HG SER 8 -7.914 -0.790 7.456 63 H ALA 9 H ALA 9 -7.273 -0.045 3.050 64 HA ALA 9 HA ALA 9 -5.588 2.235 2.471 65 HB1 ALA 9 1HB ALA 9 -4.820 0.021 1.851 66 HB2 ALA 9 2HB ALA 9 -5.080 1.003 0.398 67 HB3 ALA 9 3HB ALA 9 -6.263 -0.213 0.874 68 H PHE 10 H PHE 10 -8.737 2.126 2.560 69 HA PHE 10 HA PHE 10 -9.406 2.892 -0.117 70 HB2 PHE 10 2HB PHE 10 -10.943 3.044 2.448 71 HB3 PHE 10 1HB PHE 10 -11.589 3.601 0.904 72 HD1 PHE 10 1HD PHE 10 -9.760 0.907 -0.102 73 HD2 PHE 10 2HD PHE 10 -13.170 1.803 2.275 74 HE1 PHE 10 1HE PHE 10 -10.631 -1.340 -0.511 75 HE2 PHE 10 2HE PHE 10 -14.041 -0.459 1.867 76 HZ PHE 10 HZ PHE 10 -12.784 -2.021 0.482 77 H GLY 11 H GLY 11 -10.067 4.876 -0.847 78 HA2 GLY 11 2HA GLY 11 -10.114 7.205 -0.986 79 HA3 GLY 11 1HA GLY 11 -9.434 7.297 0.640 80 H LYS 12 H LYS 12 -7.272 5.630 0.256 81 HA LYS 12 HA LYS 12 -5.383 7.183 -1.313 82 HB2 LYS 12 2HB LYS 12 -5.175 4.691 0.365 83 HB3 LYS 12 1HB LYS 12 -3.814 5.590 -0.295 84 HG2 LYS 12 2HG LYS 12 -5.804 6.881 1.543 85 HG3 LYS 12 1HG LYS 12 -4.441 5.952 2.169 86 HD2 LYS 12 2HD LYS 12 -4.119 8.191 0.198 87 HD3 LYS 12 1HD LYS 12 -4.108 8.429 1.952 88 HE2 LYS 12 2HE LYS 12 -2.188 7.018 2.198 89 HE3 LYS 12 1HE LYS 12 -2.278 6.483 0.527 90 HZ1 LYS 12 3HZ LYS 12 -1.616 9.224 1.438 91 HZ2 LYS 12 1HZ LYS 12 -1.753 8.692 -0.174 92 HZ3 LYS 12 2HZ LYS 12 -0.552 8.044 0.849 93 H LEU 13 H LEU 13 -7.474 4.773 -1.632 94 HA LEU 13 HA LEU 13 -6.704 2.624 -3.024 95 HB2 LEU 13 2HB LEU 13 -8.942 3.293 -2.174 96 HB3 LEU 13 1HB LEU 13 -9.123 4.322 -3.568 97 HG LEU 13 HG LEU 13 -9.133 2.337 -5.022 98 HD11 LEU 13 1HD1 LEU 13 -9.015 0.835 -2.412 99 HD12 LEU 13 2HD1 LEU 13 -7.734 0.891 -3.626 100 HD13 LEU 13 3HD1 LEU 13 -9.276 0.119 -4.005 101 HD21 LEU 13 3HD2 LEU 13 -11.231 3.235 -4.161 102 HD22 LEU 13 1HD2 LEU 13 -11.067 2.248 -2.710 103 HD23 LEU 13 2HD2 LEU 13 -11.309 1.475 -4.275 104 H LYS 14 H LYS 14 -7.221 5.858 -4.381 105 HA LYS 14 HA LYS 14 -6.972 4.997 -7.096 106 HB2 LYS 14 2HB LYS 14 -6.781 7.785 -5.983 107 HB3 LYS 14 1HB LYS 14 -6.977 7.356 -7.676 108 HG2 LYS 14 2HG LYS 14 -9.147 6.336 -7.130 109 HG3 LYS 14 1HG LYS 14 -8.948 6.870 -5.459 110 HD2 LYS 14 2HD LYS 14 -8.725 9.186 -6.285 111 HD3 LYS 14 1HD LYS 14 -9.098 8.611 -7.910 112 HE2 LYS 14 2HE LYS 14 -11.247 7.737 -7.066 113 HE3 LYS 14 1HE LYS 14 -10.869 8.415 -5.486 114 HZ1 LYS 14 3HZ LYS 14 -12.309 9.890 -6.699 115 HZ2 LYS 14 1HZ LYS 14 -11.235 9.947 -8.000 116 HZ3 LYS 14 2HZ LYS 14 -10.806 10.620 -6.522 117 H GLU 15 H GLU 15 -4.719 6.062 -4.660 118 HA GLU 15 HA GLU 15 -2.752 6.995 -6.492 119 HB2 GLU 15 2HB GLU 15 -2.442 6.238 -3.588 120 HB3 GLU 15 1HB GLU 15 -1.269 7.129 -4.549 121 HG2 GLU 15 2HG GLU 15 -2.992 8.880 -4.894 122 HG3 GLU 15 1HG GLU 15 -4.026 8.015 -3.764 123 H ILE 16 H ILE 16 -3.107 4.089 -4.549 124 HA ILE 16 HA ILE 16 -0.749 2.849 -5.477 125 HB ILE 16 HB ILE 16 -1.778 0.704 -4.652 126 HG12 ILE 16 2HG1 ILE 16 -4.121 2.513 -3.961 127 HG13 ILE 16 1HG1 ILE 16 -4.136 1.228 -5.159 128 HG21 ILE 16 1HG2 ILE 16 -0.472 2.156 -3.192 129 HG22 ILE 16 2HG2 ILE 16 -1.793 1.394 -2.299 130 HG23 ILE 16 3HG2 ILE 16 -1.935 3.072 -2.830 131 HD11 ILE 16 3HD1 ILE 16 -3.803 -0.413 -3.404 132 HD12 ILE 16 1HD1 ILE 16 -5.243 0.571 -3.105 133 HD13 ILE 16 2HD1 ILE 16 -3.760 0.884 -2.200 134 H LEU 17 H LEU 17 -4.009 2.837 -6.630 135 HA LEU 17 HA LEU 17 -3.672 0.776 -8.532 136 HB2 LEU 17 2HB LEU 17 -5.771 1.365 -7.435 137 HB3 LEU 17 1HB LEU 17 -5.761 2.913 -8.239 138 HG LEU 17 HG LEU 17 -6.125 1.816 -10.393 139 HD11 LEU 17 1HD1 LEU 17 -4.933 -0.293 -9.927 140 HD12 LEU 17 2HD1 LEU 17 -6.578 -0.581 -10.492 141 HD13 LEU 17 3HD1 LEU 17 -6.195 -0.738 -8.779 142 HD21 LEU 17 3HD2 LEU 17 -8.061 2.476 -9.166 143 HD22 LEU 17 1HD2 LEU 17 -7.956 1.031 -8.151 144 HD23 LEU 17 2HD2 LEU 17 -8.363 0.864 -9.839 145 H GLY 18 H GLY 18 -3.844 4.341 -8.764 146 HA2 GLY 18 2HA GLY 18 -3.489 4.269 -11.616 147 HA3 GLY 18 1HA GLY 18 -3.673 5.698 -10.618 148 H SER 19 H SER 19 -1.388 4.961 -8.866 149 HA SER 19 HA SER 19 0.592 6.015 -10.675 150 HB2 SER 19 2HB SER 19 0.732 5.550 -7.696 151 HB3 SER 19 1HB SER 19 1.970 6.363 -8.658 152 HG SER 19 HG SER 19 -0.066 7.459 -7.524 153 H ASN 20 H ASN 20 -0.047 2.956 -9.079 154 HA ASN 20 HA ASN 20 2.611 2.124 -9.953 155 HB2 ASN 20 2HB ASN 20 2.059 1.785 -7.517 156 HB3 ASN 20 1HB ASN 20 0.843 0.621 -7.999 157 HD21 ASN 20 1HD2 ASN 20 3.400 0.354 -6.396 158 HD22 ASN 20 2HD2 ASN 20 4.224 -0.939 -7.171 159 H LYS 21 H LYS 21 -0.776 0.818 -9.962 160 HA LYS 21 HA LYS 21 -1.646 -0.930 -11.107 161 HB2 LYS 21 2HB LYS 21 0.205 0.223 -13.238 162 HB3 LYS 21 1HB LYS 21 -0.778 -1.181 -13.583 163 HG2 LYS 21 2HG LYS 21 -2.121 1.293 -12.575 164 HG3 LYS 21 1HG LYS 21 -1.559 1.229 -14.242 165 HD2 LYS 21 2HD LYS 21 -3.882 0.588 -14.126 166 HD3 LYS 21 1HD LYS 21 -2.904 -0.783 -14.628 167 HE2 LYS 21 2HE LYS 21 -3.035 -1.651 -12.296 168 HE3 LYS 21 1HE LYS 21 -4.088 -0.292 -11.896 169 HZ1 LYS 21 3HZ LYS 21 -5.296 -2.363 -12.411 170 HZ2 LYS 21 1HZ LYS 21 -4.680 -2.344 -13.959 171 HZ3 LYS 21 2HZ LYS 21 -5.731 -1.131 -13.474 172 H ASN 22 H ASN 22 0.262 -2.441 -13.170 173 HA ASN 22 HA ASN 22 1.948 -3.965 -13.243 174 HB2 ASN 22 2HB ASN 22 3.363 -2.285 -12.207 175 HB3 ASN 22 1HB ASN 22 2.722 -2.657 -10.623 176 HD21 ASN 22 1HD2 ASN 22 4.674 -2.987 -9.777 177 HD22 ASN 22 2HD2 ASN 22 5.684 -4.343 -10.076 178 H TYR 23 H TYR 23 -0.295 -3.946 -10.741 179 HA TYR 23 HA TYR 23 0.105 -6.808 -10.228 180 HB2 TYR 23 2HB TYR 23 -0.739 -4.670 -8.264 181 HB3 TYR 23 1HB TYR 23 -0.789 -6.399 -7.950 182 HD1 TYR 23 2HD TYR 23 1.298 -7.667 -7.751 183 HD2 TYR 23 1HD TYR 23 1.291 -3.438 -8.129 184 HE1 TYR 23 2HE TYR 23 3.594 -7.606 -6.929 185 HE2 TYR 23 1HE TYR 23 3.604 -3.350 -7.317 186 HH TYR 23 HH TYR 23 5.538 -6.056 -7.166 187 H LYS 24 H LYS 24 -1.874 -7.870 -9.688 188 HA LYS 24 HA LYS 24 -4.165 -6.567 -10.899 189 HB2 LYS 24 2HB LYS 24 -3.522 -8.879 -11.615 190 HB3 LYS 24 1HB LYS 24 -3.863 -9.442 -9.988 191 HG2 LYS 24 2HG LYS 24 -5.685 -9.932 -11.553 192 HG3 LYS 24 1HG LYS 24 -6.202 -8.855 -10.254 193 HD2 LYS 24 2HD LYS 24 -6.108 -6.950 -11.691 194 HD3 LYS 24 1HD LYS 24 -5.317 -7.876 -12.966 195 HE2 LYS 24 2HE LYS 24 -8.083 -8.418 -11.917 196 HE3 LYS 24 1HE LYS 24 -7.742 -7.450 -13.347 197 HZ1 LYS 24 3HZ LYS 24 -8.292 -9.716 -13.923 198 HZ2 LYS 24 1HZ LYS 24 -7.005 -10.325 -13.018 199 HZ3 LYS 24 2HZ LYS 24 -6.725 -9.364 -14.375 200 H PHE 25 H PHE 25 -5.136 -5.325 -9.496 201 HA PHE 25 HA PHE 25 -4.960 -5.787 -6.688 202 HB2 PHE 25 2HB PHE 25 -6.372 -3.677 -8.298 203 HB3 PHE 25 1HB PHE 25 -6.363 -3.703 -6.534 204 HD1 PHE 25 1HD PHE 25 -4.332 -3.225 -9.556 205 HD2 PHE 25 2HD PHE 25 -4.394 -3.042 -5.314 206 HE1 PHE 25 1HE PHE 25 -2.211 -1.997 -9.585 207 HE2 PHE 25 2HE PHE 25 -2.271 -1.803 -5.338 208 HZ PHE 25 HZ PHE 25 -1.176 -1.279 -7.475 209 H VAL 26 H VAL 26 -6.380 -6.570 -5.348 210 HA VAL 26 HA VAL 26 -8.984 -7.461 -6.402 211 HB VAL 26 HB VAL 26 -7.266 -8.896 -4.373 212 HG11 VAL 26 1HG1 VAL 26 -8.808 -10.787 -4.679 213 HG12 VAL 26 2HG1 VAL 26 -9.798 -9.786 -5.741 214 HG13 VAL 26 3HG1 VAL 26 -9.609 -9.351 -4.042 215 HG21 VAL 26 3HG2 VAL 26 -6.861 -10.611 -6.106 216 HG22 VAL 26 1HG2 VAL 26 -6.180 -9.042 -6.533 217 HG23 VAL 26 2HG2 VAL 26 -7.681 -9.584 -7.279 218 H ILE 27 H ILE 27 -10.702 -7.086 -5.090 219 HA ILE 27 HA ILE 27 -10.211 -6.152 -2.369 220 HB ILE 27 HB ILE 27 -10.809 -4.209 -3.852 221 HG12 ILE 27 2HG1 ILE 27 -12.653 -3.296 -2.484 222 HG13 ILE 27 1HG1 ILE 27 -12.964 -4.908 -1.846 223 HG21 ILE 27 1HG2 ILE 27 -13.417 -5.645 -4.242 224 HG22 ILE 27 2HG2 ILE 27 -12.188 -5.388 -5.477 225 HG23 ILE 27 3HG2 ILE 27 -13.054 -4.008 -4.783 226 HD11 ILE 27 3HD1 ILE 27 -10.768 -4.928 -0.806 227 HD12 ILE 27 1HD1 ILE 27 -11.703 -3.535 -0.279 228 HD13 ILE 27 2HD1 ILE 27 -10.424 -3.341 -1.481 229 H THR 28 H THR 28 -12.017 -6.689 -0.895 230 HA THR 28 HA THR 28 -13.307 -9.137 -1.754 231 HB THR 28 HB THR 28 -13.643 -9.380 0.735 232 HG1 THR 28 1HG THR 28 -12.339 -8.022 1.996 233 HG21 THR 28 3HG2 THR 28 -11.837 -10.475 -0.559 234 HG22 THR 28 1HG2 THR 28 -11.344 -10.083 1.089 235 HG23 THR 28 2HG2 THR 28 -10.806 -9.078 -0.262 236 H THR 29 H THR 29 -15.431 -9.527 -0.442 237 HA THR 29 HA THR 29 -17.325 -7.713 -1.379 238 HB THR 29 HB THR 29 -18.735 -9.256 0.310 239 HG1 THR 29 1HG THR 29 -16.558 -10.240 0.941 240 HG21 THR 29 3HG2 THR 29 -19.005 -10.779 -1.639 241 HG22 THR 29 1HG2 THR 29 -17.619 -9.993 -2.394 242 HG23 THR 29 2HG2 THR 29 -19.088 -9.072 -2.080 243 H LEU 30 H LEU 30 -16.001 -8.291 1.856 244 HA LEU 30 HA LEU 30 -17.748 -6.380 3.056 245 HB2 LEU 30 2HB LEU 30 -15.155 -7.552 4.061 246 HB3 LEU 30 1HB LEU 30 -16.224 -6.547 5.021 247 HG LEU 30 HG LEU 30 -16.884 -9.279 3.908 248 HD11 LEU 30 1HD1 LEU 30 -16.397 -8.365 6.732 249 HD12 LEU 30 2HD1 LEU 30 -15.331 -9.386 5.763 250 HD13 LEU 30 3HD1 LEU 30 -16.924 -9.972 6.242 251 HD21 LEU 30 3HD2 LEU 30 -18.541 -7.423 5.625 252 HD22 LEU 30 1HD2 LEU 30 -18.950 -9.092 5.234 253 HD23 LEU 30 2HD2 LEU 30 -18.878 -7.890 3.955 254 H GLY 31 H GLY 31 -14.878 -6.213 1.284 255 HA2 GLY 31 2HA GLY 31 -14.049 -3.603 2.088 256 HA3 GLY 31 1HA GLY 31 -13.550 -4.471 0.634 257 H VAL 32 H VAL 32 -15.692 -4.845 -0.826 258 HA VAL 32 HA VAL 32 -16.175 -2.303 -1.897 259 HB VAL 32 HB VAL 32 -17.771 -3.293 -3.458 260 HG11 VAL 32 1HG1 VAL 32 -15.418 -5.096 -3.011 261 HG12 VAL 32 2HG1 VAL 32 -15.396 -3.568 -3.878 262 HG13 VAL 32 3HG1 VAL 32 -16.326 -4.932 -4.515 263 HG21 VAL 32 3HG2 VAL 32 -18.989 -4.800 -1.994 264 HG22 VAL 32 1HG2 VAL 32 -17.547 -5.793 -1.794 265 HG23 VAL 32 2HG2 VAL 32 -18.340 -5.699 -3.369 266 H SER 33 H SER 33 -18.169 -4.204 0.285 267 HA SER 33 HA SER 33 -20.443 -2.559 0.092 268 HB2 SER 33 2HB SER 33 -21.034 -3.668 2.307 269 HB3 SER 33 1HB SER 33 -20.730 -4.746 0.941 270 HG SER 33 HG SER 33 -18.929 -5.391 1.782 271 H PHE 34 H PHE 34 -17.602 -2.459 2.138 272 HA PHE 34 HA PHE 34 -18.489 -0.380 3.843 273 HB2 PHE 34 2HB PHE 34 -16.585 -1.952 4.350 274 HB3 PHE 34 1HB PHE 34 -15.654 -1.156 3.100 275 HD1 PHE 34 1HD PHE 34 -17.209 -0.694 6.401 276 HD2 PHE 34 2HD PHE 34 -14.535 0.895 3.512 277 HE1 PHE 34 1HE PHE 34 -16.401 0.936 8.059 278 HE2 PHE 34 2HE PHE 34 -13.716 2.531 5.157 279 HZ PHE 34 HZ PHE 34 -14.650 2.554 7.434 280 H ALA 35 H ALA 35 -16.703 -0.543 0.846 281 HA ALA 35 HA ALA 35 -16.093 2.199 0.563 282 HB1 ALA 35 1HB ALA 35 -15.564 1.659 -1.700 283 HB2 ALA 35 2HB ALA 35 -16.417 0.118 -1.573 284 HB3 ALA 35 3HB ALA 35 -14.950 0.399 -0.631 285 H ILE 36 H ILE 36 -18.876 0.294 -0.450 286 HA ILE 36 HA ILE 36 -20.139 2.329 -1.942 287 HB ILE 36 HB ILE 36 -21.408 -0.022 -0.498 288 HG12 ILE 36 2HG1 ILE 36 -19.846 -0.718 -2.254 289 HG13 ILE 36 1HG1 ILE 36 -21.501 -1.077 -2.724 290 HG21 ILE 36 1HG2 ILE 36 -22.633 1.801 -2.570 291 HG22 ILE 36 2HG2 ILE 36 -23.088 1.692 -0.870 292 HG23 ILE 36 3HG2 ILE 36 -23.371 0.325 -1.947 293 HD11 ILE 36 3HD1 ILE 36 -21.501 0.905 -4.169 294 HD12 ILE 36 1HD1 ILE 36 -20.225 -0.234 -4.599 295 HD13 ILE 36 2HD1 ILE 36 -19.830 1.231 -3.704 296 H LYS 37 H LYS 37 -20.653 1.337 1.452 297 HA LYS 37 HA LYS 37 -22.606 3.342 1.911 298 HB2 LYS 37 2HB LYS 37 -22.377 2.825 4.311 299 HB3 LYS 37 1HB LYS 37 -22.553 1.380 3.333 300 HG2 LYS 37 2HG LYS 37 -20.239 0.855 3.559 301 HG3 LYS 37 1HG LYS 37 -19.901 2.409 4.315 302 HD2 LYS 37 2HD LYS 37 -19.959 0.670 5.994 303 HD3 LYS 37 1HD LYS 37 -21.320 1.763 6.225 304 HE2 LYS 37 2HE LYS 37 -22.766 0.117 5.038 305 HE3 LYS 37 1HE LYS 37 -21.387 -0.981 4.959 306 HZ1 LYS 37 3HZ LYS 37 -22.801 -1.513 6.825 307 HZ2 LYS 37 1HZ LYS 37 -22.665 0.053 7.424 308 HZ3 LYS 37 2HZ LYS 37 -21.315 -0.963 7.393 309 H SER 38 H SER 38 -19.147 3.417 2.075 310 HA SER 38 HA SER 38 -19.171 5.886 3.577 311 HB2 SER 38 2HB SER 38 -16.832 4.390 2.407 312 HB3 SER 38 1HB SER 38 -16.774 5.659 3.635 313 HG SER 38 HG SER 38 -17.501 2.999 3.818 314 H GLY 39 H GLY 39 -19.696 5.177 0.410 315 HA2 GLY 39 2HA GLY 39 -19.753 6.453 -1.499 316 HA3 GLY 39 1HA GLY 39 -19.533 7.846 -0.451 317 H ILE 40 H ILE 40 -17.341 5.154 -0.917 318 HA ILE 40 HA ILE 40 -15.236 7.049 -1.649 319 HB ILE 40 HB ILE 40 -15.075 4.087 -0.944 320 HG12 ILE 40 2HG1 ILE 40 -14.464 6.514 0.748 321 HG13 ILE 40 1HG1 ILE 40 -15.902 5.519 0.900 322 HG21 ILE 40 1HG2 ILE 40 -13.176 4.868 -2.316 323 HG22 ILE 40 2HG2 ILE 40 -12.667 4.466 -0.680 324 HG23 ILE 40 3HG2 ILE 40 -12.872 6.157 -1.149 325 HD11 ILE 40 3HD1 ILE 40 -13.056 4.742 1.471 326 HD12 ILE 40 1HD1 ILE 40 -14.417 3.608 1.485 327 HD13 ILE 40 2HD1 ILE 40 -14.373 4.953 2.621 328 H ASP 41 H ASP 41 -14.037 6.728 -3.601 329 HA ASP 41 HA ASP 41 -15.641 5.828 -5.779 330 HB2 ASP 41 2HB ASP 41 -12.773 6.776 -5.742 331 HB3 ASP 41 1HB ASP 41 -13.634 6.336 -7.209 332 H ILE 42 H ILE 42 -15.959 3.749 -5.278 333 HA ILE 42 HA ILE 42 -13.675 1.982 -5.593 334 HB ILE 42 HB ILE 42 -14.913 1.676 -3.572 335 HG12 ILE 42 2HG1 ILE 42 -14.123 -0.396 -5.052 336 HG13 ILE 42 1HG1 ILE 42 -14.932 -0.641 -3.517 337 HG21 ILE 42 1HG2 ILE 42 -17.280 0.931 -3.527 338 HG22 ILE 42 2HG2 ILE 42 -17.366 1.252 -5.260 339 HG23 ILE 42 3HG2 ILE 42 -17.033 2.569 -4.134 340 HD11 ILE 42 3HD1 ILE 42 -16.985 -1.012 -4.621 341 HD12 ILE 42 1HD1 ILE 42 -15.768 -2.118 -5.270 342 HD13 ILE 42 2HD1 ILE 42 -16.255 -0.682 -6.205 343 H ASP 43 H ASP 43 -16.559 3.052 -7.106 344 HA ASP 43 HA ASP 43 -16.785 0.985 -9.048 345 HB2 ASP 43 2HB ASP 43 -17.543 3.918 -9.265 346 HB3 ASP 43 1HB ASP 43 -17.961 2.697 -10.456 347 H SER 44 H SER 44 -15.004 3.952 -8.784 348 HA SER 44 HA SER 44 -13.746 3.910 -11.294 349 HB2 SER 44 2HB SER 44 -13.851 5.917 -9.806 350 HB3 SER 44 1HB SER 44 -12.760 5.108 -8.684 351 HG SER 44 HG SER 44 -11.944 5.342 -11.333 352 H ALA 45 H ALA 45 -13.047 2.334 -8.218 353 HA ALA 45 HA ALA 45 -10.416 1.505 -8.862 354 HB1 ALA 45 1HB ALA 45 -12.373 0.327 -6.886 355 HB2 ALA 45 2HB ALA 45 -11.225 1.621 -6.549 356 HB3 ALA 45 3HB ALA 45 -10.638 0.004 -6.935 357 H LEU 46 H LEU 46 -13.548 -0.168 -8.852 358 HA LEU 46 HA LEU 46 -12.791 -2.606 -9.954 359 HB2 LEU 46 2HB LEU 46 -15.355 -1.081 -10.440 360 HB3 LEU 46 1HB LEU 46 -15.119 -2.782 -10.767 361 HG LEU 46 HG LEU 46 -15.056 -1.498 -8.034 362 HD11 LEU 46 1HD1 LEU 46 -17.148 -3.213 -9.348 363 HD12 LEU 46 2HD1 LEU 46 -17.279 -1.485 -9.015 364 HD13 LEU 46 3HD1 LEU 46 -17.183 -2.635 -7.682 365 HD21 LEU 46 3HD2 LEU 46 -15.080 -3.810 -7.197 366 HD22 LEU 46 1HD2 LEU 46 -13.627 -3.485 -8.143 367 HD23 LEU 46 2HD2 LEU 46 -14.950 -4.406 -8.851 368 H ASP 47 H ASP 47 -13.824 0.351 -11.568 369 HA ASP 47 HA ASP 47 -13.650 -0.534 -14.208 370 HB2 ASP 47 2HB ASP 47 -14.821 1.483 -13.743 371 HB3 ASP 47 1HB ASP 47 -13.392 2.225 -13.033 372 H ARG 48 H ARG 48 -11.178 0.994 -12.196 373 HA ARG 48 HA ARG 48 -9.304 1.032 -14.356 374 HB2 ARG 48 2HB ARG 48 -8.974 1.663 -11.456 375 HB3 ARG 48 1HB ARG 48 -7.654 1.776 -12.614 376 HG2 ARG 48 2HG ARG 48 -8.953 3.473 -13.847 377 HG3 ARG 48 1HG ARG 48 -10.225 3.348 -12.622 378 HD2 ARG 48 2HD ARG 48 -8.560 3.918 -10.912 379 HD3 ARG 48 1HD ARG 48 -7.371 4.198 -12.178 380 HE ARG 48 HE ARG 48 -9.719 5.718 -12.612 381 HH11 ARG 48 1HH1 ARG 48 -6.706 5.713 -10.735 382 HH12 ARG 48 2HH1 ARG 48 -6.747 7.388 -10.381 383 HH21 ARG 48 1HH2 ARG 48 -9.748 8.033 -12.112 384 HH22 ARG 48 2HH2 ARG 48 -8.510 8.726 -11.183 385 H GLY 49 H GLY 49 -10.311 -1.527 -12.517 386 HA2 GLY 49 2HA GLY 49 -9.209 -3.567 -13.546 387 HA3 GLY 49 1HA GLY 49 -7.704 -2.836 -13.041 388 H VAL 50 H VAL 50 -9.922 -2.302 -10.597 389 HA VAL 50 HA VAL 50 -8.720 -4.434 -9.052 390 HB VAL 50 HB VAL 50 -10.810 -2.389 -8.193 391 HG11 VAL 50 1HG1 VAL 50 -10.178 -2.982 -5.905 392 HG12 VAL 50 2HG1 VAL 50 -9.078 -4.214 -6.527 393 HG13 VAL 50 3HG1 VAL 50 -10.817 -4.378 -6.776 394 HG21 VAL 50 3HG2 VAL 50 -8.950 -1.237 -7.083 395 HG22 VAL 50 1HG2 VAL 50 -8.723 -1.317 -8.830 396 HG23 VAL 50 2HG2 VAL 50 -7.827 -2.404 -7.766 397 H ILE 51 H ILE 51 -9.593 -6.341 -8.659 398 HA ILE 51 HA ILE 51 -12.333 -6.809 -9.609 399 HB ILE 51 HB ILE 51 -11.754 -9.223 -9.672 400 HG12 ILE 51 2HG1 ILE 51 -8.917 -8.278 -9.163 401 HG13 ILE 51 1HG1 ILE 51 -9.906 -9.176 -8.021 402 HG21 ILE 51 1HG2 ILE 51 -10.032 -7.395 -11.322 403 HG22 ILE 51 2HG2 ILE 51 -11.678 -7.931 -11.677 404 HG23 ILE 51 3HG2 ILE 51 -10.349 -9.092 -11.687 405 HD11 ILE 51 3HD1 ILE 51 -9.934 -11.086 -9.535 406 HD12 ILE 51 1HD1 ILE 51 -8.284 -10.613 -9.136 407 HD13 ILE 51 2HD1 ILE 51 -8.970 -10.183 -10.703 408 H VAL 52 H VAL 52 -13.810 -7.898 -8.383 409 HA VAL 52 HA VAL 52 -13.199 -7.866 -5.537 410 HB VAL 52 HB VAL 52 -15.154 -6.527 -6.094 411 HG11 VAL 52 1HG1 VAL 52 -17.201 -7.474 -7.057 412 HG12 VAL 52 2HG1 VAL 52 -16.362 -9.004 -7.307 413 HG13 VAL 52 3HG1 VAL 52 -15.835 -7.562 -8.172 414 HG21 VAL 52 3HG2 VAL 52 -16.859 -7.560 -4.640 415 HG22 VAL 52 1HG2 VAL 52 -15.238 -7.679 -3.953 416 HG23 VAL 52 2HG2 VAL 52 -15.980 -9.084 -4.720 417 H ARG 53 H ARG 53 -12.841 -9.657 -4.480 418 HA ARG 53 HA ARG 53 -13.887 -12.163 -5.594 419 HB2 ARG 53 2HB ARG 53 -11.486 -12.059 -6.033 420 HB3 ARG 53 1HB ARG 53 -11.169 -11.727 -4.340 421 HG2 ARG 53 2HG ARG 53 -11.861 -13.946 -3.714 422 HG3 ARG 53 1HG ARG 53 -12.403 -14.292 -5.357 423 HD2 ARG 53 2HD ARG 53 -10.097 -14.021 -6.163 424 HD3 ARG 53 1HD ARG 53 -9.576 -13.668 -4.524 425 HE ARG 53 HE ARG 53 -10.061 -15.952 -3.928 426 HH11 ARG 53 1HH1 ARG 53 -10.235 -15.345 -7.421 427 HH12 ARG 53 2HH1 ARG 53 -9.670 -16.880 -7.870 428 HH21 ARG 53 1HH2 ARG 53 -9.296 -18.091 -4.561 429 HH22 ARG 53 2HH2 ARG 53 -9.160 -18.475 -6.221 430 H ALA 54 H ALA 54 -15.063 -13.267 -4.292 431 HA ALA 54 HA ALA 54 -15.027 -12.658 -1.423 432 HB1 ALA 54 1HB ALA 54 -17.394 -13.278 -1.461 433 HB2 ALA 54 2HB ALA 54 -17.283 -13.561 -3.196 434 HB3 ALA 54 3HB ALA 54 -17.058 -11.935 -2.555 435 H PHE 55 H PHE 55 -14.976 -14.390 -0.070 436 HA PHE 55 HA PHE 55 -14.173 -16.943 -1.119 437 HB2 PHE 55 2HB PHE 55 -14.173 -15.602 1.442 438 HB3 PHE 55 1HB PHE 55 -14.843 -17.220 1.589 439 HD1 PHE 55 2HD PHE 55 -13.497 -19.162 0.892 440 HD2 PHE 55 1HD PHE 55 -11.854 -15.259 1.148 441 HE1 PHE 55 2HE PHE 55 -11.255 -20.138 0.967 442 HE2 PHE 55 1HE PHE 55 -9.590 -16.207 1.230 443 HZ PHE 55 HZ PHE 55 -9.277 -18.659 1.137 444 H SER 56 H SER 56 -15.384 -18.906 -0.983 445 HA SER 56 HA SER 56 -18.194 -18.546 -1.259 446 HB2 SER 56 2HB SER 56 -16.727 -21.175 -0.952 447 HB3 SER 56 1HB SER 56 -18.248 -20.858 -1.768 448 HG SER 56 HG SER 56 -16.823 -19.313 -3.054 449 H HIS 57 H HIS 57 -16.040 -19.925 1.178 450 HA HIS 57 HA HIS 57 -17.833 -19.191 3.238 451 HB2 HIS 57 2HB HIS 57 -17.862 -21.518 4.297 452 HB3 HIS 57 1HB HIS 57 -18.913 -21.280 2.916 453 HD1 HIS 57 1HD HIS 57 -18.814 -23.102 1.236 454 HD2 HIS 57 2HD HIS 57 -15.336 -22.976 3.498 455 HE1 HIS 57 1HE HIS 57 -17.464 -25.091 0.529 456 HE2 HIS 57 2HE HIS 57 -15.604 -25.167 2.189 457 H LYS 58 H LYS 58 -16.374 -18.021 4.282 458 HA LYS 58 HA LYS 58 -14.125 -19.500 5.316 459 HB2 LYS 58 2HB LYS 58 -13.286 -18.183 3.385 460 HB3 LYS 58 1HB LYS 58 -13.821 -16.719 4.192 461 HG2 LYS 58 2HG LYS 58 -11.447 -17.008 4.497 462 HG3 LYS 58 1HG LYS 58 -12.268 -17.188 6.048 463 HD2 LYS 58 2HD LYS 58 -12.141 -19.649 5.805 464 HD3 LYS 58 1HD LYS 58 -11.284 -19.436 4.275 465 HE2 LYS 58 2HE LYS 58 -9.496 -18.257 5.469 466 HE3 LYS 58 1HE LYS 58 -10.362 -18.497 6.981 467 HZ1 LYS 58 3HZ LYS 58 -10.114 -20.894 6.693 468 HZ2 LYS 58 1HZ LYS 58 -8.638 -20.094 6.714 469 HZ3 LYS 58 2HZ LYS 58 -9.267 -20.648 5.250 470 HA PRO 59 HA PRO 59 -16.048 -17.460 8.882 471 HB2 PRO 59 2HB PRO 59 -14.105 -19.360 10.127 472 HB3 PRO 59 1HB PRO 59 -15.796 -19.058 10.561 473 HG2 PRO 59 2HG PRO 59 -15.146 -21.270 9.282 474 HG3 PRO 59 1HG PRO 59 -16.607 -20.375 8.823 475 HD2 PRO 59 2HD PRO 59 -13.930 -20.444 7.467 476 HD3 PRO 59 1HD PRO 59 -15.558 -20.475 6.754 477 HA PRO 60 HA PRO 60 -12.612 -14.635 8.707 478 HB2 PRO 60 2HB PRO 60 -13.423 -12.956 10.713 479 HB3 PRO 60 1HB PRO 60 -14.079 -12.921 9.076 480 HG2 PRO 60 2HG PRO 60 -15.189 -14.231 11.527 481 HG3 PRO 60 1HG PRO 60 -16.031 -13.283 10.289 482 HD2 PRO 60 2HD PRO 60 -16.123 -15.953 10.309 483 HD3 PRO 60 1HD PRO 60 -16.055 -15.046 8.781 484 H LYS 61 H LYS 61 -10.664 -14.564 9.590 485 HA LYS 61 HA LYS 61 -10.273 -15.821 12.178 486 HB2 LYS 61 2HB LYS 61 -8.902 -16.464 10.133 487 HB3 LYS 61 1HB LYS 61 -8.224 -14.846 10.162 488 HG2 LYS 61 2HG LYS 61 -6.685 -16.403 11.166 489 HG3 LYS 61 1HG LYS 61 -7.307 -15.298 12.397 490 HD2 LYS 61 2HD LYS 61 -8.951 -17.025 13.074 491 HD3 LYS 61 1HD LYS 61 -8.252 -18.114 11.884 492 HE2 LYS 61 2HE LYS 61 -6.171 -18.135 13.007 493 HE3 LYS 61 1HE LYS 61 -6.688 -16.859 14.110 494 HZ1 LYS 61 3HZ LYS 61 -6.792 -19.030 15.153 495 HZ2 LYS 61 1HZ LYS 61 -7.843 -19.598 13.976 496 HZ3 LYS 61 2HZ LYS 61 -8.318 -18.366 15.026 497 H VAL 62 H VAL 62 -10.426 -14.400 13.852 498 HA VAL 62 HA VAL 62 -9.484 -11.667 13.418 499 HB VAL 62 HB VAL 62 -11.325 -10.796 14.787 500 HG11 VAL 62 1HG1 VAL 62 -12.252 -12.346 12.374 501 HG12 VAL 62 2HG1 VAL 62 -11.570 -10.718 12.372 502 HG13 VAL 62 3HG1 VAL 62 -13.138 -11.017 13.120 503 HG21 VAL 62 3HG2 VAL 62 -12.451 -13.594 14.621 504 HG22 VAL 62 1HG2 VAL 62 -13.325 -12.182 15.214 505 HG23 VAL 62 2HG2 VAL 62 -11.898 -12.761 16.075 506 H GLY 63 H GLY 63 -9.050 -10.531 15.272 507 HA2 GLY 63 2HA GLY 63 -8.965 -11.508 17.900 508 HA3 GLY 63 1HA GLY 63 -7.383 -11.711 17.137 509 H ASN 64 H ASN 64 -9.792 -9.434 18.151 510 HA ASN 64 HA ASN 64 -9.710 -7.265 18.747 511 HB2 ASN 64 2HB ASN 64 -7.480 -7.374 19.668 512 HB3 ASN 64 1HB ASN 64 -6.752 -7.469 18.074 513 HD21 ASN 64 1HD2 ASN 64 -6.304 -5.567 16.968 514 HD22 ASN 64 2HD2 ASN 64 -6.539 -4.017 17.647 515 H LEU 65 H LEU 65 -8.885 -8.376 15.711 516 HA LEU 65 HA LEU 65 -9.352 -5.785 14.454 517 HB2 LEU 65 2HB LEU 65 -8.090 -8.317 13.446 518 HB3 LEU 65 1HB LEU 65 -8.422 -6.932 12.426 519 HG LEU 65 HG LEU 65 -6.599 -6.861 14.837 520 HD11 LEU 65 1HD1 LEU 65 -5.967 -6.988 11.906 521 HD12 LEU 65 2HD1 LEU 65 -5.650 -8.238 13.120 522 HD13 LEU 65 3HD1 LEU 65 -4.802 -6.692 13.195 523 HD21 LEU 65 3HD2 LEU 65 -7.144 -4.835 12.667 524 HD22 LEU 65 1HD2 LEU 65 -5.885 -4.715 13.893 525 HD23 LEU 65 2HD2 LEU 65 -7.576 -4.694 14.375 526 HA PRO 66 HA PRO 66 -13.332 -7.095 13.164 527 HB2 PRO 66 2HB PRO 66 -13.833 -5.342 11.229 528 HB3 PRO 66 1HB PRO 66 -13.607 -4.842 12.914 529 HG2 PRO 66 2HG PRO 66 -11.648 -4.769 10.651 530 HG3 PRO 66 1HG PRO 66 -12.018 -3.509 11.839 531 HD2 PRO 66 2HD PRO 66 -9.887 -5.193 12.038 532 HD3 PRO 66 1HD PRO 66 -10.697 -4.463 13.437 533 H GLN 67 H GLN 67 -14.629 -7.882 11.433 534 HA GLN 67 HA GLN 67 -13.430 -9.964 10.027 535 HB2 GLN 67 2HB GLN 67 -16.144 -8.733 9.629 536 HB3 GLN 67 1HB GLN 67 -15.611 -10.245 8.917 537 HG2 GLN 67 2HG GLN 67 -15.345 -11.212 11.125 538 HG3 GLN 67 1HG GLN 67 -15.814 -9.683 11.860 539 HE21 GLN 67 1HE2 GLN 67 -17.349 -10.872 8.959 540 HE22 GLN 67 2HE2 GLN 67 -18.853 -11.259 9.685 541 H TYR 68 H TYR 68 -14.254 -6.726 8.907 542 HA TYR 68 HA TYR 68 -13.969 -7.387 6.224 543 HB2 TYR 68 2HB TYR 68 -13.694 -4.928 5.717 544 HB3 TYR 68 1HB TYR 68 -15.138 -5.380 6.582 545 HD1 TYR 68 2HD TYR 68 -11.675 -4.103 7.308 546 HD2 TYR 68 1HD TYR 68 -15.802 -4.057 8.338 547 HE1 TYR 68 2HE TYR 68 -11.245 -2.340 8.965 548 HE2 TYR 68 1HE TYR 68 -15.382 -2.304 9.989 549 HH TYR 68 HH TYR 68 -12.399 -0.624 10.160 550 H GLU 69 H GLU 69 -11.406 -6.678 8.511 551 HA GLU 69 HA GLU 69 -9.574 -6.549 6.305 552 HB2 GLU 69 2HB GLU 69 -7.734 -6.456 7.965 553 HB3 GLU 69 1HB GLU 69 -8.918 -5.202 8.220 554 HG2 GLU 69 2HG GLU 69 -8.238 -5.938 10.359 555 HG3 GLU 69 1HG GLU 69 -9.835 -6.613 10.101 556 H SER 70 H SER 70 -10.670 -8.831 8.611 557 HA SER 70 HA SER 70 -8.992 -10.954 8.233 558 HB2 SER 70 2HB SER 70 -11.986 -11.132 8.495 559 HB3 SER 70 1HB SER 70 -10.801 -12.341 8.983 560 HG SER 70 HG SER 70 -10.222 -9.990 10.200 561 H GLU 71 H GLU 71 -11.947 -10.188 6.404 562 HA GLU 71 HA GLU 71 -11.797 -12.392 4.658 563 HB2 GLU 71 2HB GLU 71 -13.850 -11.052 5.034 564 HB3 GLU 71 1HB GLU 71 -13.121 -9.714 4.155 565 HG2 GLU 71 2HG GLU 71 -13.049 -11.064 2.132 566 HG3 GLU 71 1HG GLU 71 -13.720 -12.434 3.014 567 H ALA 72 H ALA 72 -10.580 -9.075 4.331 568 HA ALA 72 HA ALA 72 -9.621 -9.304 1.684 569 HB1 ALA 72 1HB ALA 72 -8.541 -7.597 3.932 570 HB2 ALA 72 2HB ALA 72 -9.862 -7.147 2.851 571 HB3 ALA 72 3HB ALA 72 -8.230 -7.364 2.213 572 H ILE 73 H ILE 73 -7.952 -9.690 4.761 573 HA ILE 73 HA ILE 73 -5.518 -10.518 3.684 574 HB ILE 73 HB ILE 73 -6.677 -11.018 6.439 575 HG12 ILE 73 2HG1 ILE 73 -4.776 -8.930 5.382 576 HG13 ILE 73 1HG1 ILE 73 -6.472 -8.669 5.749 577 HG21 ILE 73 1HG2 ILE 73 -4.841 -12.600 5.986 578 HG22 ILE 73 2HG2 ILE 73 -4.358 -11.383 7.171 579 HG23 ILE 73 3HG2 ILE 73 -3.805 -11.256 5.500 580 HD11 ILE 73 3HD1 ILE 73 -4.988 -7.803 7.467 581 HD12 ILE 73 1HD1 ILE 73 -4.347 -9.423 7.726 582 HD13 ILE 73 2HD1 ILE 73 -6.044 -9.071 8.087 583 H MET 74 H MET 74 -8.380 -12.431 4.514 584 HA MET 74 HA MET 74 -7.054 -14.942 4.280 585 HB2 MET 74 2HB MET 74 -9.999 -14.332 3.985 586 HB3 MET 74 1HB MET 74 -9.321 -15.947 4.043 587 HG2 MET 74 2HG MET 74 -9.069 -13.950 6.282 588 HG3 MET 74 1HG MET 74 -10.402 -15.075 6.150 589 HE1 MET 74 3HE MET 74 -6.296 -15.787 5.738 590 HE2 MET 74 1HE MET 74 -6.075 -16.124 7.434 591 HE3 MET 74 2HE MET 74 -6.609 -14.516 6.926 592 H VAL 75 H VAL 75 -8.770 -12.945 1.965 593 HA VAL 75 HA VAL 75 -8.525 -14.793 -0.160 594 HB VAL 75 HB VAL 75 -9.003 -11.788 -0.177 595 HG11 VAL 75 1HG1 VAL 75 -7.954 -12.435 -2.300 596 HG12 VAL 75 2HG1 VAL 75 -9.657 -12.036 -2.539 597 HG13 VAL 75 3HG1 VAL 75 -9.139 -13.726 -2.490 598 HG21 VAL 75 3HG2 VAL 75 -11.309 -12.464 -0.790 599 HG22 VAL 75 1HG2 VAL 75 -10.814 -13.103 0.777 600 HG23 VAL 75 2HG2 VAL 75 -10.834 -14.147 -0.635 601 H ALA 76 H ALA 76 -6.541 -12.143 1.007 602 HA ALA 76 HA ALA 76 -4.520 -12.239 -0.972 603 HB1 ALA 76 1HB ALA 76 -4.251 -11.491 1.936 604 HB2 ALA 76 2HB ALA 76 -4.784 -10.404 0.657 605 HB3 ALA 76 3HB ALA 76 -3.140 -11.053 0.633 606 H PHE 77 H PHE 77 -5.142 -14.097 1.868 607 HA PHE 77 HA PHE 77 -2.641 -15.409 2.026 608 HB2 PHE 77 2HB PHE 77 -4.300 -15.141 3.899 609 HB3 PHE 77 1HB PHE 77 -5.309 -16.332 3.102 610 HD1 PHE 77 1HD PHE 77 -4.645 -18.697 3.082 611 HD2 PHE 77 2HD PHE 77 -2.323 -15.752 5.080 612 HE1 PHE 77 1HE PHE 77 -3.460 -20.465 4.325 613 HE2 PHE 77 2HE PHE 77 -1.144 -17.519 6.311 614 HZ PHE 77 HZ PHE 77 -1.714 -19.873 5.933 615 H GLU 78 H GLU 78 -5.770 -16.275 0.538 616 HA GLU 78 HA GLU 78 -4.919 -18.911 -0.138 617 HB2 GLU 78 2HB GLU 78 -6.930 -19.160 -1.437 618 HB3 GLU 78 1HB GLU 78 -7.336 -18.294 0.034 619 HG2 GLU 78 2HG GLU 78 -7.655 -16.283 -1.098 620 HG3 GLU 78 1HG GLU 78 -6.730 -16.828 -2.489 621 H LEU 79 H LEU 79 -4.712 -15.865 -1.781 622 HA LEU 79 HA LEU 79 -3.807 -17.114 -4.267 623 HB2 LEU 79 2HB LEU 79 -4.118 -14.209 -3.508 624 HB3 LEU 79 1HB LEU 79 -3.656 -14.781 -5.093 625 HG LEU 79 HG LEU 79 -6.320 -15.312 -3.770 626 HD11 LEU 79 1HD1 LEU 79 -6.048 -12.959 -4.319 627 HD12 LEU 79 2HD1 LEU 79 -7.211 -13.728 -5.400 628 HD13 LEU 79 3HD1 LEU 79 -5.577 -13.385 -5.966 629 HD21 LEU 79 3HD2 LEU 79 -5.362 -15.841 -6.586 630 HD22 LEU 79 1HD2 LEU 79 -7.000 -16.102 -5.987 631 HD23 LEU 79 2HD2 LEU 79 -5.668 -17.066 -5.353 632 H ASN 80 H ASN 80 -2.553 -16.009 -1.383 633 HA ASN 80 HA ASN 80 -0.584 -15.327 -0.541 634 HB2 ASN 80 2HB ASN 80 0.078 -17.626 -1.501 635 HB3 ASN 80 1HB ASN 80 0.782 -16.741 -2.850 636 HD21 ASN 80 1HD2 ASN 80 2.493 -15.243 -2.343 637 HD22 ASN 80 2HD2 ASN 80 3.552 -15.531 -1.015 638 H ALA 81 H ALA 81 -1.515 -13.404 -1.367 639 HA ALA 81 HA ALA 81 -0.078 -12.186 -3.621 640 HB1 ALA 81 1HB ALA 81 -2.700 -11.431 -2.350 641 HB2 ALA 81 2HB ALA 81 -2.513 -12.362 -3.831 642 HB3 ALA 81 3HB ALA 81 -1.982 -10.679 -3.774 643 H LEU 82 H LEU 82 -0.228 -9.644 -3.266 644 HA LEU 82 HA LEU 82 1.160 -9.096 -0.764 645 HB2 LEU 82 2HB LEU 82 0.586 -7.333 -3.155 646 HB3 LEU 82 1HB LEU 82 1.474 -6.824 -1.738 647 HG LEU 82 HG LEU 82 2.360 -8.834 -3.821 648 HD11 LEU 82 1HD1 LEU 82 4.141 -7.254 -4.179 649 HD12 LEU 82 2HD1 LEU 82 3.440 -6.173 -2.973 650 HD13 LEU 82 3HD1 LEU 82 2.562 -6.522 -4.460 651 HD21 LEU 82 3HD2 LEU 82 3.669 -8.024 -1.232 652 HD22 LEU 82 1HD2 LEU 82 4.418 -9.014 -2.493 653 HD23 LEU 82 2HD2 LEU 82 3.013 -9.616 -1.611 654 H LEU 83 H LEU 83 0.340 -7.596 0.706 655 HA LEU 83 HA LEU 83 -2.481 -7.002 0.230 656 HB2 LEU 83 2HB LEU 83 -1.989 -8.585 2.106 657 HB3 LEU 83 1HB LEU 83 -1.140 -7.279 2.908 658 HG LEU 83 HG LEU 83 -3.342 -5.984 2.653 659 HD11 LEU 83 1HD1 LEU 83 -4.342 -8.789 2.301 660 HD12 LEU 83 2HD1 LEU 83 -4.476 -7.449 1.156 661 HD13 LEU 83 3HD1 LEU 83 -5.344 -7.392 2.688 662 HD21 LEU 83 3HD2 LEU 83 -4.187 -6.949 4.756 663 HD22 LEU 83 1HD2 LEU 83 -2.447 -6.645 4.778 664 HD23 LEU 83 2HD2 LEU 83 -3.041 -8.284 4.547 665 H ILE 84 H ILE 84 -3.065 -4.935 0.355 666 HA ILE 84 HA ILE 84 -1.017 -3.000 1.169 667 HB ILE 84 HB ILE 84 -3.384 -2.560 -0.681 668 HG12 ILE 84 2HG1 ILE 84 -0.450 -2.888 -1.358 669 HG13 ILE 84 1HG1 ILE 84 -1.684 -4.105 -1.626 670 HG21 ILE 84 1HG2 ILE 84 -2.646 -0.541 0.503 671 HG22 ILE 84 2HG2 ILE 84 -2.250 -0.442 -1.214 672 HG23 ILE 84 3HG2 ILE 84 -0.989 -0.817 -0.040 673 HD11 ILE 84 3HD1 ILE 84 -1.132 -2.918 -3.670 674 HD12 ILE 84 1HD1 ILE 84 -1.594 -1.392 -2.917 675 HD13 ILE 84 2HD1 ILE 84 -2.809 -2.638 -3.200 676 H ALA 85 H ALA 85 -1.420 -2.077 3.063 677 HA ALA 85 HA ALA 85 -4.132 -1.352 3.785 678 HB1 ALA 85 1HB ALA 85 -3.874 -3.615 4.697 679 HB2 ALA 85 2HB ALA 85 -3.983 -2.415 5.987 680 HB3 ALA 85 3HB ALA 85 -2.417 -3.106 5.550 681 H GLU 86 H GLU 86 -4.180 0.232 5.457 682 HA GLU 86 HA GLU 86 -1.720 1.763 5.616 683 HB2 GLU 86 2HB GLU 86 -4.531 2.416 6.444 684 HB3 GLU 86 1HB GLU 86 -3.203 3.519 6.671 685 HG2 GLU 86 2HG GLU 86 -2.916 3.202 4.088 686 HG3 GLU 86 1HG GLU 86 -4.579 2.661 4.184 687 H ASP 87 H ASP 87 -3.924 -0.003 7.689 688 HA ASP 87 HA ASP 87 -2.851 1.085 10.106 689 HB2 ASP 87 2HB ASP 87 -5.192 0.444 10.012 690 HB3 ASP 87 1HB ASP 87 -4.735 -1.229 9.685 691 H LYS 88 H LYS 88 -1.334 0.339 11.368 692 HA LYS 88 HA LYS 88 0.553 -1.485 10.425 693 HB2 LYS 88 2HB LYS 88 1.026 0.411 11.958 694 HB3 LYS 88 1HB LYS 88 0.234 -0.473 13.249 695 HG2 LYS 88 2HG LYS 88 1.915 -2.251 13.048 696 HG3 LYS 88 1HG LYS 88 2.720 -1.330 11.779 697 HD2 LYS 88 2HD LYS 88 3.060 0.517 13.386 698 HD3 LYS 88 1HD LYS 88 2.330 -0.475 14.651 699 HE2 LYS 88 2HE LYS 88 4.078 -2.177 14.258 700 HE3 LYS 88 1HE LYS 88 4.825 -1.104 13.085 701 HZ1 LYS 88 3HZ LYS 88 5.176 0.520 14.846 702 HZ2 LYS 88 1HZ LYS 88 5.914 -0.946 15.230 703 HZ3 LYS 88 2HZ LYS 88 4.462 -0.492 15.967 704 H ASP 89 H ASP 89 -2.171 -2.001 12.669 705 HA ASP 89 HA ASP 89 -1.103 -4.531 13.540 706 HB2 ASP 89 2HB ASP 89 -2.533 -3.132 15.038 707 HB3 ASP 89 1HB ASP 89 -3.890 -3.425 13.964 708 H VAL 90 H VAL 90 -3.518 -3.420 11.274 709 HA VAL 90 HA VAL 90 -4.353 -5.978 10.409 710 HB VAL 90 HB VAL 90 -4.260 -3.384 8.749 711 HG11 VAL 90 1HG1 VAL 90 -5.840 -4.453 7.256 712 HG12 VAL 90 2HG1 VAL 90 -5.708 -5.952 8.176 713 HG13 VAL 90 3HG1 VAL 90 -4.312 -5.334 7.293 714 HG21 VAL 90 3HG2 VAL 90 -6.526 -4.744 10.196 715 HG22 VAL 90 1HG2 VAL 90 -6.641 -3.263 9.254 716 HG23 VAL 90 2HG2 VAL 90 -5.698 -3.285 10.748 717 H ILE 91 H ILE 91 -1.715 -3.899 9.267 718 HA ILE 91 HA ILE 91 -0.634 -5.601 7.321 719 HB ILE 91 HB ILE 91 0.680 -3.537 9.114 720 HG12 ILE 91 2HG1 ILE 91 -0.084 -3.405 6.191 721 HG13 ILE 91 1HG1 ILE 91 -1.028 -2.734 7.513 722 HG21 ILE 91 1HG2 ILE 91 2.407 -5.082 8.416 723 HG22 ILE 91 2HG2 ILE 91 2.599 -3.541 7.582 724 HG23 ILE 91 3HG2 ILE 91 1.910 -4.923 6.732 725 HD11 ILE 91 3HD1 ILE 91 0.772 -1.217 8.053 726 HD12 ILE 91 1HD1 ILE 91 0.271 -1.025 6.372 727 HD13 ILE 91 2HD1 ILE 91 1.761 -1.896 6.754 728 H ASN 92 H ASN 92 0.031 -5.322 10.764 729 HA ASN 92 HA ASN 92 2.024 -7.240 11.062 730 HB2 ASN 92 2HB ASN 92 1.537 -5.725 12.871 731 HB3 ASN 92 1HB ASN 92 -0.118 -6.309 12.973 732 HD21 ASN 92 1HD2 ASN 92 -0.564 -8.076 14.188 733 HD22 ASN 92 2HD2 ASN 92 0.622 -8.982 15.056 734 H LYS 93 H LYS 93 -1.461 -7.609 11.466 735 HA LYS 93 HA LYS 93 -1.510 -10.294 12.142 736 HB2 LYS 93 2HB LYS 93 -3.339 -8.690 12.463 737 HB3 LYS 93 1HB LYS 93 -3.557 -8.573 10.739 738 HG2 LYS 93 2HG LYS 93 -3.977 -11.183 12.169 739 HG3 LYS 93 1HG LYS 93 -5.218 -9.945 12.169 740 HD2 LYS 93 2HD LYS 93 -5.032 -9.945 9.652 741 HD3 LYS 93 1HD LYS 93 -4.066 -11.415 9.816 742 HE2 LYS 93 2HE LYS 93 -6.446 -11.889 9.373 743 HE3 LYS 93 1HE LYS 93 -5.921 -12.530 10.928 744 HZ1 LYS 93 3HZ LYS 93 -8.092 -11.412 11.063 745 HZ2 LYS 93 1HZ LYS 93 -7.400 -9.952 10.569 746 HZ3 LYS 93 2HZ LYS 93 -6.955 -10.661 12.023 747 H ALA 94 H ALA 94 -1.653 -8.758 8.987 748 HA ALA 94 HA ALA 94 -2.074 -11.088 7.476 749 HB1 ALA 94 1HB ALA 94 -0.730 -8.539 6.660 750 HB2 ALA 94 2HB ALA 94 -2.467 -8.841 6.634 751 HB3 ALA 94 3HB ALA 94 -1.392 -9.763 5.578 752 H LYS 95 H LYS 95 0.949 -9.369 8.316 753 HA LYS 95 HA LYS 95 2.477 -11.197 6.777 754 HB2 LYS 95 2HB LYS 95 4.505 -10.181 7.711 755 HB3 LYS 95 1HB LYS 95 3.369 -9.001 7.086 756 HG2 LYS 95 2HG LYS 95 2.708 -8.376 9.304 757 HG3 LYS 95 1HG LYS 95 3.681 -9.669 10.002 758 HD2 LYS 95 2HD LYS 95 4.792 -7.470 10.162 759 HD3 LYS 95 1HD LYS 95 5.716 -8.620 9.196 760 HE2 LYS 95 2HE LYS 95 4.879 -7.609 7.150 761 HE3 LYS 95 1HE LYS 95 3.890 -6.485 8.079 762 HZ1 LYS 95 3HZ LYS 95 6.862 -6.616 8.155 763 HZ2 LYS 95 1HZ LYS 95 5.887 -5.510 8.966 764 HZ3 LYS 95 2HZ LYS 95 5.966 -5.489 7.296 765 H GLU 96 H GLU 96 1.433 -11.241 10.064 766 HA GLU 96 HA GLU 96 3.236 -13.297 10.835 767 HB2 GLU 96 2HB GLU 96 0.569 -12.525 12.004 768 HB3 GLU 96 1HB GLU 96 1.654 -13.689 12.738 769 HG2 GLU 96 2HG GLU 96 3.385 -11.816 12.749 770 HG3 GLU 96 1HG GLU 96 2.055 -10.733 12.353 771 H LEU 97 H LEU 97 0.314 -13.248 9.055 772 HA LEU 97 HA LEU 97 -0.029 -16.109 9.223 773 HB2 LEU 97 2HB LEU 97 -1.394 -14.042 7.507 774 HB3 LEU 97 1HB LEU 97 -1.824 -15.742 7.559 775 HG LEU 97 HG LEU 97 -1.988 -13.839 9.885 776 HD11 LEU 97 1HD1 LEU 97 -4.414 -14.034 9.584 777 HD12 LEU 97 2HD1 LEU 97 -4.153 -15.026 8.150 778 HD13 LEU 97 3HD1 LEU 97 -3.642 -13.338 8.158 779 HD21 LEU 97 3HD2 LEU 97 -1.576 -16.097 10.632 780 HD22 LEU 97 1HD2 LEU 97 -2.867 -16.713 9.592 781 HD23 LEU 97 2HD2 LEU 97 -3.255 -15.661 10.951 782 H GLY 98 H GLY 98 1.769 -13.916 7.368 783 HA2 GLY 98 2HA GLY 98 3.579 -14.856 6.076 784 HA3 GLY 98 1HA GLY 98 2.481 -16.127 5.565 785 H VAL 99 H VAL 99 0.996 -13.087 5.573 786 HA VAL 99 HA VAL 99 1.252 -12.945 2.649 787 HB VAL 99 HB VAL 99 -0.628 -11.466 4.525 788 HG11 VAL 99 1HG1 VAL 99 -0.246 -10.245 2.448 789 HG12 VAL 99 2HG1 VAL 99 -1.886 -10.883 2.503 790 HG13 VAL 99 3HG1 VAL 99 -0.664 -11.680 1.514 791 HG21 VAL 99 3HG2 VAL 99 -1.171 -13.868 2.786 792 HG22 VAL 99 1HG2 VAL 99 -2.391 -12.967 3.688 793 HG23 VAL 99 2HG2 VAL 99 -1.121 -13.841 4.550 794 H ASN 100 H ASN 100 2.423 -11.282 1.752 795 HA ASN 100 HA ASN 100 3.810 -9.560 3.582 796 HB2 ASN 100 2HB ASN 100 4.990 -10.387 1.574 797 HB3 ASN 100 1HB ASN 100 3.861 -9.491 0.556 798 HD21 ASN 100 1HD2 ASN 100 5.420 -8.176 -0.325 799 HD22 ASN 100 2HD2 ASN 100 6.214 -6.925 0.550 800 H ALA 101 H ALA 101 2.422 -8.258 4.512 801 HA ALA 101 HA ALA 101 0.759 -6.499 2.893 802 HB1 ALA 101 1HB ALA 101 0.989 -6.799 5.884 803 HB2 ALA 101 2HB ALA 101 -0.258 -7.514 4.863 804 HB3 ALA 101 3HB ALA 101 -0.158 -5.761 5.040 805 H ILE 102 H ILE 102 1.320 -4.488 2.493 806 HA ILE 102 HA ILE 102 3.405 -3.306 4.101 807 HB ILE 102 HB ILE 102 4.310 -2.237 1.908 808 HG12 ILE 102 2HG1 ILE 102 4.286 -3.871 -0.042 809 HG13 ILE 102 1HG1 ILE 102 2.977 -4.712 0.769 810 HG21 ILE 102 1HG2 ILE 102 4.937 -5.084 2.595 811 HG22 ILE 102 2HG2 ILE 102 5.645 -3.634 3.306 812 HG23 ILE 102 3HG2 ILE 102 5.946 -4.024 1.613 813 HD11 ILE 102 3HD1 ILE 102 2.926 -1.866 -0.174 814 HD12 ILE 102 1HD1 ILE 102 1.589 -2.719 0.590 815 HD13 ILE 102 2HD1 ILE 102 2.170 -3.236 -0.996 816 HA PRO 103 HA PRO 103 0.891 0.324 4.058 817 HB2 PRO 103 2HB PRO 103 3.321 1.953 3.781 818 HB3 PRO 103 1HB PRO 103 2.130 1.940 5.078 819 HG2 PRO 103 2HG PRO 103 4.564 0.930 5.422 820 HG3 PRO 103 1HG PRO 103 3.143 0.183 6.186 821 HD2 PRO 103 2HD PRO 103 4.668 -0.677 3.755 822 HD3 PRO 103 1HD PRO 103 3.963 -1.657 5.059 823 H ILE 104 H ILE 104 0.455 2.210 2.827 824 HA ILE 104 HA ILE 104 0.397 1.626 0.079 825 HB ILE 104 HB ILE 104 -0.475 4.018 1.665 826 HG12 ILE 104 2HG1 ILE 104 -1.919 1.722 0.358 827 HG13 ILE 104 1HG1 ILE 104 -1.611 1.919 2.075 828 HG21 ILE 104 1HG2 ILE 104 -0.010 4.881 -0.530 829 HG22 ILE 104 2HG2 ILE 104 -1.767 4.692 -0.377 830 HG23 ILE 104 3HG2 ILE 104 -0.819 3.510 -1.274 831 HD11 ILE 104 3HD1 ILE 104 -3.863 2.462 1.543 832 HD12 ILE 104 1HD1 ILE 104 -3.325 3.634 0.343 833 HD13 ILE 104 2HD1 ILE 104 -3.001 3.919 2.052 834 H GLU 105 H GLU 105 2.198 4.054 1.900 835 HA GLU 105 HA GLU 105 3.311 5.221 -0.400 836 HB2 GLU 105 2HB GLU 105 4.133 5.320 2.493 837 HB3 GLU 105 1HB GLU 105 5.031 6.138 1.220 838 HG2 GLU 105 2HG GLU 105 3.496 7.632 2.437 839 HG3 GLU 105 1HG GLU 105 3.182 7.551 0.709 840 H GLU 106 H GLU 106 4.172 2.421 1.384 841 HA GLU 106 HA GLU 106 6.770 2.072 0.272 842 HB2 GLU 106 2HB GLU 106 4.892 0.454 1.873 843 HB3 GLU 106 1HB GLU 106 6.018 -0.458 0.883 844 HG2 GLU 106 2HG GLU 106 6.762 -0.049 3.221 845 HG3 GLU 106 1HG GLU 106 7.887 0.500 1.985 846 H LEU 107 H LEU 107 3.549 0.934 -0.544 847 HA LEU 107 HA LEU 107 4.263 -0.630 -2.767 848 HB2 LEU 107 2HB LEU 107 2.043 -0.643 -1.519 849 HB3 LEU 107 1HB LEU 107 1.673 0.873 -2.281 850 HG LEU 107 HG LEU 107 0.527 -1.172 -3.215 851 HD11 LEU 107 1HD1 LEU 107 0.524 0.856 -4.480 852 HD12 LEU 107 2HD1 LEU 107 0.757 -0.516 -5.566 853 HD13 LEU 107 3HD1 LEU 107 2.126 0.502 -5.115 854 HD21 LEU 107 3HD2 LEU 107 1.763 -2.566 -4.796 855 HD22 LEU 107 1HD2 LEU 107 2.412 -2.715 -3.164 856 HD23 LEU 107 2HD2 LEU 107 3.258 -1.739 -4.365 857 H LEU 108 H LEU 108 3.453 2.760 -2.382 858 HA LEU 108 HA LEU 108 3.537 3.516 -5.108 859 HB2 LEU 108 2HB LEU 108 4.180 5.169 -2.663 860 HB3 LEU 108 1HB LEU 108 3.894 5.808 -4.264 861 HG LEU 108 HG LEU 108 1.850 4.368 -2.572 862 HD11 LEU 108 1HD1 LEU 108 2.166 7.290 -3.226 863 HD12 LEU 108 2HD1 LEU 108 2.445 6.546 -1.653 864 HD13 LEU 108 3HD1 LEU 108 0.820 6.574 -2.341 865 HD21 LEU 108 3HD2 LEU 108 1.447 4.059 -4.961 866 HD22 LEU 108 1HD2 LEU 108 1.585 5.798 -5.221 867 HD23 LEU 108 2HD2 LEU 108 0.254 5.148 -4.264 868 H ALA 109 H ALA 109 5.999 3.501 -2.577 869 HA ALA 109 HA ALA 109 8.093 4.701 -3.973 870 HB1 ALA 109 1HB ALA 109 8.271 2.677 -1.760 871 HB2 ALA 109 2HB ALA 109 8.064 4.414 -1.548 872 HB3 ALA 109 3HB ALA 109 9.548 3.783 -2.264 873 H SER 110 H SER 110 7.035 1.365 -3.940 874 HA SER 110 HA SER 110 9.318 0.260 -5.085 875 HB2 SER 110 2HB SER 110 6.452 -0.670 -5.253 876 HB3 SER 110 1HB SER 110 7.871 -1.654 -5.634 877 HG SER 110 HG SER 110 8.591 -1.075 -3.450 878 H SER 111 H SER 111 6.733 2.069 -6.549 879 HA SER 111 HA SER 111 7.938 1.487 -9.111 880 HB2 SER 111 2HB SER 111 5.180 2.372 -8.386 881 HB3 SER 111 1HB SER 111 5.798 2.732 -9.995 882 HG SER 111 HG SER 111 4.773 0.426 -9.158 883 H LEU 112 H LEU 112 9.502 2.664 -9.368 884 HA LEU 112 HA LEU 112 9.265 5.599 -9.216 885 HB2 LEU 112 2HB LEU 112 11.553 5.839 -8.436 886 HB3 LEU 112 1HB LEU 112 10.660 4.859 -7.297 887 HG LEU 112 HG LEU 112 12.433 3.689 -9.389 888 HD11 LEU 112 1HD1 LEU 112 14.160 3.515 -7.597 889 HD12 LEU 112 2HD1 LEU 112 13.122 4.500 -6.562 890 HD13 LEU 112 3HD1 LEU 112 13.794 5.179 -8.048 891 HD21 LEU 112 3HD2 LEU 112 11.426 2.596 -6.754 892 HD22 LEU 112 1HD2 LEU 112 12.548 1.763 -7.831 893 HD23 LEU 112 2HD2 LEU 112 10.906 2.097 -8.363 894 H GLU 113 H GLU 113 10.899 2.816 -10.497 895 HA GLU 113 HA GLU 113 11.948 4.043 -12.802 896 HB2 GLU 113 2HB GLU 113 11.690 1.416 -13.511 897 HB3 GLU 113 1HB GLU 113 13.042 2.064 -12.606 898 HG2 GLU 113 2HG GLU 113 12.224 -0.020 -11.619 899 HG3 GLU 113 1HG GLU 113 12.036 1.324 -10.512 900 H HIS 114 H HIS 114 8.946 2.640 -11.877 901 HA HIS 114 HA HIS 114 7.741 3.116 -14.458 902 HB2 HIS 114 2HB HIS 114 6.513 2.461 -11.768 903 HB3 HIS 114 1HB HIS 114 5.548 2.721 -13.214 904 HD1 HIS 114 1HD HIS 114 6.474 0.048 -11.252 905 HD2 HIS 114 2HD HIS 114 6.893 0.792 -15.321 906 HE1 HIS 114 1HE HIS 114 6.684 -2.198 -12.335 907 HE2 HIS 114 2HE HIS 114 6.489 -1.669 -14.786 908 H HIS 115 H HIS 115 8.578 5.187 -14.580 909 HA HIS 115 HA HIS 115 7.301 7.293 -12.961 910 HB2 HIS 115 2HB HIS 115 9.859 7.018 -13.184 911 HB3 HIS 115 1HB HIS 115 9.667 7.488 -14.855 912 HD1 HIS 115 1HD HIS 115 10.476 8.805 -11.656 913 HD2 HIS 115 2HD HIS 115 8.481 10.280 -14.978 914 HE1 HIS 115 1HE HIS 115 10.547 11.279 -11.423 915 HE2 HIS 115 2HE HIS 115 9.671 12.116 -13.609 916 H HIS 116 H HIS 116 6.282 9.046 -14.195 917 HA HIS 116 HA HIS 116 4.987 9.926 -15.868 918 HB2 HIS 116 2HB HIS 116 7.210 9.879 -17.123 919 HB3 HIS 116 1HB HIS 116 6.781 8.296 -17.725 920 HD1 HIS 116 1HD HIS 116 4.045 10.844 -17.769 921 HD2 HIS 116 2HD HIS 116 6.968 9.382 -20.336 922 HE1 HIS 116 1HE HIS 116 3.468 11.733 -20.014 923 HE2 HIS 116 2HE HIS 116 5.426 11.116 -21.440 924 H HIS 117 H HIS 117 3.895 8.080 -14.506 925 HA HIS 117 HA HIS 117 3.115 5.767 -16.093 926 HB2 HIS 117 2HB HIS 117 3.939 5.591 -13.714 927 HB3 HIS 117 1HB HIS 117 2.459 6.386 -13.211 928 HD1 HIS 117 1HD HIS 117 0.188 4.946 -13.482 929 HD2 HIS 117 2HD HIS 117 3.745 2.926 -14.273 930 HE1 HIS 117 1HE HIS 117 -0.371 2.576 -13.418 931 HE2 HIS 117 2HE HIS 117 1.870 1.451 -13.412 932 H HIS 118 H HIS 118 1.272 7.732 -13.762 933 HA HIS 118 HA HIS 118 -1.093 7.367 -15.413 934 HB2 HIS 118 2HB HIS 118 -1.205 7.007 -12.953 935 HB3 HIS 118 1HB HIS 118 -0.799 8.691 -12.701 936 HD1 HIS 118 1HD HIS 118 -2.866 9.785 -11.858 937 HD2 HIS 118 2HD HIS 118 -3.691 7.099 -14.922 938 HE1 HIS 118 1HE HIS 118 -5.327 9.937 -12.240 939 HE2 HIS 118 2HE HIS 118 -5.824 8.301 -14.079 940 H HIS 119 H HIS 119 1.156 9.758 -14.444 941 HA HIS 119 HA HIS 119 0.441 11.346 -16.709 942 HB2 HIS 119 2HB HIS 119 0.583 12.488 -13.893 943 HB3 HIS 119 1HB HIS 119 0.895 13.466 -15.318 944 HD1 HIS 119 1HD HIS 119 -1.177 13.661 -17.016 945 HD2 HIS 119 2HD HIS 119 -2.034 12.290 -13.197 946 HE1 HIS 119 1HE HIS 119 -3.650 13.943 -16.743 947 HE2 HIS 119 2HE HIS 119 -4.042 13.436 -14.318 Start of MODEL 5 1 H1 MET 1 1HT MET 1 0.082 -11.411 -10.858 2 H2 MET 1 2HT MET 1 1.740 -11.649 -10.654 3 H3 MET 1 3HT MET 1 1.057 -10.086 -10.554 4 HA MET 1 HA MET 1 0.416 -12.313 -8.736 5 HB2 MET 1 2HB MET 1 2.760 -11.455 -8.440 6 HB3 MET 1 1HB MET 1 2.103 -9.840 -8.198 7 HG2 MET 1 2HG MET 1 0.943 -10.637 -6.193 8 HG3 MET 1 1HG MET 1 1.598 -12.246 -6.470 9 HE1 MET 1 2HE MET 1 2.545 -12.428 -4.081 10 HE2 MET 1 3HE MET 1 1.869 -10.847 -3.691 11 HE3 MET 1 1HE MET 1 3.553 -11.200 -3.310 12 H PHE 2 H PHE 2 -1.084 -11.731 -7.117 13 HA PHE 2 HA PHE 2 -2.808 -9.559 -7.932 14 HB2 PHE 2 2HB PHE 2 -3.154 -11.707 -5.824 15 HB3 PHE 2 1HB PHE 2 -4.370 -10.514 -6.252 16 HD1 PHE 2 2HD PHE 2 -5.293 -10.557 -8.606 17 HD2 PHE 2 1HD PHE 2 -2.971 -13.737 -6.995 18 HE1 PHE 2 2HE PHE 2 -6.160 -12.071 -10.346 19 HE2 PHE 2 1HE PHE 2 -3.830 -15.250 -8.724 20 HZ PHE 2 HZ PHE 2 -5.429 -14.420 -10.404 21 H ALA 3 H ALA 3 -3.517 -7.981 -6.449 22 HA ALA 3 HA ALA 3 -1.979 -7.693 -3.979 23 HB1 ALA 3 1HB ALA 3 -1.794 -5.271 -4.384 24 HB2 ALA 3 2HB ALA 3 -2.539 -5.483 -5.969 25 HB3 ALA 3 3HB ALA 3 -0.959 -6.195 -5.634 26 H VAL 4 H VAL 4 -3.429 -7.783 -2.427 27 HA VAL 4 HA VAL 4 -6.214 -7.162 -3.037 28 HB VAL 4 HB VAL 4 -5.041 -8.439 -0.548 29 HG11 VAL 4 1HG1 VAL 4 -7.336 -9.203 -0.113 30 HG12 VAL 4 2HG1 VAL 4 -7.889 -8.325 -1.539 31 HG13 VAL 4 3HG1 VAL 4 -7.226 -7.444 -0.163 32 HG21 VAL 4 3HG2 VAL 4 -5.774 -10.587 -1.434 33 HG22 VAL 4 1HG2 VAL 4 -4.598 -9.836 -2.509 34 HG23 VAL 4 2HG2 VAL 4 -6.317 -9.820 -2.919 35 H ILE 5 H ILE 5 -7.144 -5.441 -2.285 36 HA ILE 5 HA ILE 5 -5.592 -3.589 -0.683 37 HB ILE 5 HB ILE 5 -8.260 -3.208 -2.082 38 HG12 ILE 5 2HG1 ILE 5 -5.494 -2.325 -2.960 39 HG13 ILE 5 1HG1 ILE 5 -6.352 -3.706 -3.628 40 HG21 ILE 5 1HG2 ILE 5 -7.890 -1.667 -0.207 41 HG22 ILE 5 2HG2 ILE 5 -7.817 -0.818 -1.748 42 HG23 ILE 5 3HG2 ILE 5 -6.328 -1.212 -0.889 43 HD11 ILE 5 3HD1 ILE 5 -8.100 -2.216 -4.438 44 HD12 ILE 5 1HD1 ILE 5 -6.519 -1.774 -5.080 45 HD13 ILE 5 2HD1 ILE 5 -7.233 -0.832 -3.768 46 H SER 6 H SER 6 -6.016 -3.323 1.408 47 HA SER 6 HA SER 6 -8.292 -4.704 2.536 48 HB2 SER 6 2HB SER 6 -5.869 -4.828 3.416 49 HB3 SER 6 1HB SER 6 -6.134 -3.195 4.008 50 HG SER 6 HG SER 6 -7.514 -3.912 5.499 51 HA PRO 7 HA PRO 7 -11.048 -1.209 2.688 52 HB2 PRO 7 2HB PRO 7 -11.216 -2.124 5.531 53 HB3 PRO 7 1HB PRO 7 -12.514 -1.583 4.452 54 HG2 PRO 7 2HG PRO 7 -12.116 -4.183 4.741 55 HG3 PRO 7 1HG PRO 7 -12.403 -3.505 3.133 56 HD2 PRO 7 2HD PRO 7 -9.866 -4.531 4.308 57 HD3 PRO 7 1HD PRO 7 -10.424 -4.511 2.630 58 H SER 8 H SER 8 -8.559 -1.320 5.282 59 HA SER 8 HA SER 8 -8.953 1.335 6.112 60 HB2 SER 8 2HB SER 8 -6.601 1.102 7.036 61 HB3 SER 8 1HB SER 8 -7.756 -0.126 7.557 62 HG SER 8 HG SER 8 -6.847 -1.580 6.367 63 H ALA 9 H ALA 9 -7.474 0.082 3.290 64 HA ALA 9 HA ALA 9 -5.744 2.359 2.819 65 HB1 ALA 9 1HB ALA 9 -5.025 1.049 0.846 66 HB2 ALA 9 2HB ALA 9 -6.268 -0.141 1.221 67 HB3 ALA 9 3HB ALA 9 -4.938 0.119 2.339 68 H PHE 10 H PHE 10 -8.883 2.181 2.628 69 HA PHE 10 HA PHE 10 -9.459 2.792 -0.076 70 HB2 PHE 10 2HB PHE 10 -11.062 3.091 2.439 71 HB3 PHE 10 1HB PHE 10 -11.660 3.650 0.880 72 HD1 PHE 10 2HD PHE 10 -9.625 0.737 0.539 73 HD2 PHE 10 1HD PHE 10 -13.533 2.051 1.567 74 HE1 PHE 10 2HE PHE 10 -10.497 -1.504 0.069 75 HE2 PHE 10 1HE PHE 10 -14.407 -0.186 1.099 76 HZ PHE 10 HZ PHE 10 -12.909 -1.959 0.351 77 H GLY 11 H GLY 11 -10.225 4.726 -0.975 78 HA2 GLY 11 2HA GLY 11 -10.360 7.044 -1.224 79 HA3 GLY 11 1HA GLY 11 -9.560 7.242 0.334 80 H LYS 12 H LYS 12 -7.395 5.509 -0.260 81 HA LYS 12 HA LYS 12 -5.866 7.245 -2.021 82 HB2 LYS 12 2HB LYS 12 -5.033 5.202 0.024 83 HB3 LYS 12 1HB LYS 12 -3.914 6.160 -0.943 84 HG2 LYS 12 2HG LYS 12 -4.670 8.188 0.067 85 HG3 LYS 12 1HG LYS 12 -5.979 7.351 0.890 86 HD2 LYS 12 2HD LYS 12 -4.191 7.789 2.479 87 HD3 LYS 12 1HD LYS 12 -4.350 6.062 2.132 88 HE2 LYS 12 2HE LYS 12 -2.418 6.100 0.708 89 HE3 LYS 12 1HE LYS 12 -2.315 7.858 0.825 90 HZ1 LYS 12 3HZ LYS 12 -0.692 6.673 2.267 91 HZ2 LYS 12 1HZ LYS 12 -1.960 5.996 3.136 92 HZ3 LYS 12 2HZ LYS 12 -1.732 7.660 3.138 93 H LEU 13 H LEU 13 -7.680 4.725 -2.316 94 HA LEU 13 HA LEU 13 -6.553 2.554 -3.597 95 HB2 LEU 13 2HB LEU 13 -9.055 4.003 -4.451 96 HB3 LEU 13 1HB LEU 13 -8.652 2.345 -4.823 97 HG LEU 13 HG LEU 13 -9.202 3.403 -2.053 98 HD11 LEU 13 1HD1 LEU 13 -11.330 2.204 -2.250 99 HD12 LEU 13 2HD1 LEU 13 -10.942 1.788 -3.919 100 HD13 LEU 13 3HD1 LEU 13 -11.198 3.473 -3.469 101 HD21 LEU 13 3HD2 LEU 13 -8.847 0.619 -3.125 102 HD22 LEU 13 1HD2 LEU 13 -9.346 1.025 -1.484 103 HD23 LEU 13 2HD2 LEU 13 -7.740 1.480 -2.051 104 H LYS 14 H LYS 14 -7.587 5.585 -4.999 105 HA LYS 14 HA LYS 14 -6.899 4.844 -7.630 106 HB2 LYS 14 2HB LYS 14 -7.755 7.467 -6.438 107 HB3 LYS 14 1HB LYS 14 -7.500 7.219 -8.170 108 HG2 LYS 14 2HG LYS 14 -9.188 5.510 -8.238 109 HG3 LYS 14 1HG LYS 14 -9.349 5.563 -6.487 110 HD2 LYS 14 2HD LYS 14 -9.967 7.903 -8.276 111 HD3 LYS 14 1HD LYS 14 -11.171 6.693 -7.838 112 HE2 LYS 14 2HE LYS 14 -10.676 7.236 -5.429 113 HE3 LYS 14 1HE LYS 14 -9.697 8.584 -6.011 114 HZ1 LYS 14 3HZ LYS 14 -12.604 8.179 -6.499 115 HZ2 LYS 14 1HZ LYS 14 -11.687 9.463 -7.122 116 HZ3 LYS 14 2HZ LYS 14 -11.930 9.308 -5.456 117 H GLU 15 H GLU 15 -5.089 6.179 -5.087 118 HA GLU 15 HA GLU 15 -3.077 7.385 -6.711 119 HB2 GLU 15 2HB GLU 15 -2.852 6.405 -3.854 120 HB3 GLU 15 1HB GLU 15 -1.725 7.474 -4.671 121 HG2 GLU 15 2HG GLU 15 -3.545 9.091 -4.937 122 HG3 GLU 15 1HG GLU 15 -4.572 8.079 -3.914 123 H ILE 16 H ILE 16 -3.225 4.370 -4.830 124 HA ILE 16 HA ILE 16 -0.790 3.335 -5.772 125 HB ILE 16 HB ILE 16 -1.644 1.073 -5.023 126 HG12 ILE 16 2HG1 ILE 16 -4.077 2.693 -4.220 127 HG13 ILE 16 1HG1 ILE 16 -4.032 1.430 -5.438 128 HG21 ILE 16 1HG2 ILE 16 -0.385 2.537 -3.551 129 HG22 ILE 16 2HG2 ILE 16 -1.616 1.645 -2.660 130 HG23 ILE 16 3HG2 ILE 16 -1.883 3.341 -3.075 131 HD11 ILE 16 3HD1 ILE 16 -3.568 -0.217 -3.716 132 HD12 ILE 16 1HD1 ILE 16 -5.048 0.681 -3.369 133 HD13 ILE 16 2HD1 ILE 16 -3.568 1.061 -2.491 134 H LEU 17 H LEU 17 -4.045 2.871 -6.975 135 HA LEU 17 HA LEU 17 -3.643 0.993 -8.965 136 HB2 LEU 17 2HB LEU 17 -5.560 3.199 -8.495 137 HB3 LEU 17 1HB LEU 17 -5.501 2.551 -10.115 138 HG LEU 17 HG LEU 17 -6.405 0.464 -9.437 139 HD11 LEU 17 1HD1 LEU 17 -4.925 0.063 -7.509 140 HD12 LEU 17 2HD1 LEU 17 -6.643 -0.244 -7.180 141 HD13 LEU 17 3HD1 LEU 17 -5.887 1.240 -6.586 142 HD21 LEU 17 3HD2 LEU 17 -8.042 2.274 -9.321 143 HD22 LEU 17 1HD2 LEU 17 -7.627 2.512 -7.627 144 HD23 LEU 17 2HD2 LEU 17 -8.364 1.000 -8.149 145 H GLY 18 H GLY 18 -3.410 4.529 -9.249 146 HA2 GLY 18 2HA GLY 18 -2.630 4.336 -12.015 147 HA3 GLY 18 1HA GLY 18 -2.792 5.807 -11.078 148 H SER 19 H SER 19 -0.962 4.880 -8.983 149 HA SER 19 HA SER 19 1.374 5.879 -10.250 150 HB2 SER 19 2HB SER 19 1.094 4.709 -7.475 151 HB3 SER 19 1HB SER 19 2.442 5.679 -8.061 152 HG SER 19 HG SER 19 -0.238 6.428 -7.622 153 H ASN 20 H ASN 20 0.339 2.627 -9.275 154 HA ASN 20 HA ASN 20 3.021 1.736 -10.032 155 HB2 ASN 20 2HB ASN 20 1.993 1.107 -7.774 156 HB3 ASN 20 1HB ASN 20 0.990 -0.013 -8.684 157 HD21 ASN 20 1HD2 ASN 20 3.013 -0.579 -6.695 158 HD22 ASN 20 2HD2 ASN 20 4.191 -1.583 -7.462 159 H LYS 21 H LYS 21 -0.394 0.671 -10.477 160 HA LYS 21 HA LYS 21 -1.344 -0.767 -11.928 161 HB2 LYS 21 2HB LYS 21 0.865 0.262 -13.740 162 HB3 LYS 21 1HB LYS 21 -0.355 -0.856 -14.307 163 HG2 LYS 21 2HG LYS 21 -2.083 0.811 -13.785 164 HG3 LYS 21 1HG LYS 21 -0.819 1.939 -13.282 165 HD2 LYS 21 2HD LYS 21 0.131 1.916 -15.514 166 HD3 LYS 21 1HD LYS 21 -1.036 0.696 -16.024 167 HE2 LYS 21 2HE LYS 21 -2.861 2.268 -15.652 168 HE3 LYS 21 1HE LYS 21 -1.722 3.489 -15.100 169 HZ1 LYS 21 3HZ LYS 21 -1.759 2.302 -17.825 170 HZ2 LYS 21 1HZ LYS 21 -0.737 3.517 -17.302 171 HZ3 LYS 21 2HZ LYS 21 -2.367 3.820 -17.422 172 H ASN 22 H ASN 22 -0.406 -2.659 -13.696 173 HA ASN 22 HA ASN 22 0.754 -4.558 -14.037 174 HB2 ASN 22 2HB ASN 22 2.757 -3.234 -12.253 175 HB3 ASN 22 1HB ASN 22 3.002 -4.874 -12.846 176 HD21 ASN 22 1HD2 ASN 22 4.346 -2.265 -13.344 177 HD22 ASN 22 2HD2 ASN 22 4.388 -2.137 -15.079 178 H TYR 23 H TYR 23 -0.323 -3.864 -10.935 179 HA TYR 23 HA TYR 23 -0.159 -6.719 -10.262 180 HB2 TYR 23 2HB TYR 23 -0.784 -4.329 -8.512 181 HB3 TYR 23 1HB TYR 23 -0.951 -5.998 -7.985 182 HD1 TYR 23 1HD TYR 23 1.071 -7.415 -7.735 183 HD2 TYR 23 2HD TYR 23 1.333 -3.260 -8.596 184 HE1 TYR 23 1HE TYR 23 3.416 -7.429 -7.030 185 HE2 TYR 23 2HE TYR 23 3.685 -3.260 -7.909 186 HH TYR 23 HH TYR 23 5.461 -5.885 -7.728 187 H LYS 24 H LYS 24 -2.050 -7.850 -9.880 188 HA LYS 24 HA LYS 24 -4.364 -6.519 -11.033 189 HB2 LYS 24 2HB LYS 24 -3.547 -9.046 -11.422 190 HB3 LYS 24 1HB LYS 24 -4.481 -9.316 -9.963 191 HG2 LYS 24 2HG LYS 24 -5.906 -9.789 -11.832 192 HG3 LYS 24 1HG LYS 24 -6.452 -8.259 -11.131 193 HD2 LYS 24 2HD LYS 24 -5.307 -6.995 -12.855 194 HD3 LYS 24 1HD LYS 24 -4.544 -8.470 -13.439 195 HE2 LYS 24 2HE LYS 24 -6.274 -7.898 -14.964 196 HE3 LYS 24 1HE LYS 24 -6.787 -9.315 -14.062 197 HZ1 LYS 24 3HZ LYS 24 -7.721 -6.514 -13.699 198 HZ2 LYS 24 1HZ LYS 24 -8.156 -7.801 -12.672 199 HZ3 LYS 24 2HZ LYS 24 -8.567 -7.827 -14.286 200 H PHE 25 H PHE 25 -5.304 -5.268 -9.623 201 HA PHE 25 HA PHE 25 -4.960 -5.670 -6.830 202 HB2 PHE 25 2HB PHE 25 -6.595 -3.677 -8.374 203 HB3 PHE 25 1HB PHE 25 -6.334 -3.612 -6.625 204 HD1 PHE 25 2HD PHE 25 -3.960 -3.264 -5.806 205 HD2 PHE 25 1HD PHE 25 -5.080 -2.755 -9.884 206 HE1 PHE 25 2HE PHE 25 -1.919 -1.941 -6.203 207 HE2 PHE 25 1HE PHE 25 -3.041 -1.433 -10.283 208 HZ PHE 25 HZ PHE 25 -1.460 -1.025 -8.442 209 H VAL 26 H VAL 26 -6.409 -6.307 -5.384 210 HA VAL 26 HA VAL 26 -8.914 -7.480 -6.392 211 HB VAL 26 HB VAL 26 -7.069 -8.594 -4.278 212 HG11 VAL 26 1HG1 VAL 26 -8.480 -10.590 -4.361 213 HG12 VAL 26 2HG1 VAL 26 -9.551 -9.770 -5.496 214 HG13 VAL 26 3HG1 VAL 26 -9.374 -9.158 -3.853 215 HG21 VAL 26 3HG2 VAL 26 -6.036 -8.856 -6.447 216 HG22 VAL 26 1HG2 VAL 26 -7.517 -9.560 -7.094 217 HG23 VAL 26 2HG2 VAL 26 -6.600 -10.425 -5.862 218 H ILE 27 H ILE 27 -10.659 -6.962 -5.203 219 HA ILE 27 HA ILE 27 -10.226 -5.975 -2.502 220 HB ILE 27 HB ILE 27 -10.908 -4.113 -4.059 221 HG12 ILE 27 2HG1 ILE 27 -12.741 -3.217 -2.700 222 HG13 ILE 27 1HG1 ILE 27 -13.028 -4.817 -2.013 223 HG21 ILE 27 1HG2 ILE 27 -12.248 -5.399 -5.628 224 HG22 ILE 27 2HG2 ILE 27 -13.177 -4.052 -4.970 225 HG23 ILE 27 3HG2 ILE 27 -13.451 -5.689 -4.374 226 HD11 ILE 27 3HD1 ILE 27 -10.800 -4.747 -0.999 227 HD12 ILE 27 1HD1 ILE 27 -11.796 -3.391 -0.486 228 HD13 ILE 27 2HD1 ILE 27 -10.539 -3.150 -1.698 229 H THR 28 H THR 28 -12.036 -6.519 -1.051 230 HA THR 28 HA THR 28 -13.051 -9.134 -1.766 231 HB THR 28 HB THR 28 -13.520 -9.292 0.670 232 HG1 THR 28 1HG THR 28 -12.175 -7.465 1.756 233 HG21 THR 28 3HG2 THR 28 -11.205 -9.481 1.343 234 HG22 THR 28 1HG2 THR 28 -10.701 -8.431 0.013 235 HG23 THR 28 2HG2 THR 28 -11.376 -10.018 -0.331 236 H THR 29 H THR 29 -15.259 -9.658 -0.746 237 HA THR 29 HA THR 29 -17.260 -8.073 -1.859 238 HB THR 29 HB THR 29 -18.637 -9.658 -0.326 239 HG1 THR 29 1HG THR 29 -17.151 -11.502 0.216 240 HG21 THR 29 3HG2 THR 29 -18.227 -11.528 -1.872 241 HG22 THR 29 1HG2 THR 29 -16.727 -10.765 -2.400 242 HG23 THR 29 2HG2 THR 29 -18.275 -10.002 -2.754 243 H LEU 30 H LEU 30 -16.158 -8.588 1.469 244 HA LEU 30 HA LEU 30 -17.939 -6.677 2.579 245 HB2 LEU 30 2HB LEU 30 -15.380 -7.800 3.715 246 HB3 LEU 30 1HB LEU 30 -16.486 -6.775 4.602 247 HG LEU 30 HG LEU 30 -17.032 -9.559 3.582 248 HD11 LEU 30 1HD1 LEU 30 -16.823 -8.458 6.380 249 HD12 LEU 30 2HD1 LEU 30 -15.634 -9.473 5.575 250 HD13 LEU 30 3HD1 LEU 30 -17.223 -10.120 5.956 251 HD21 LEU 30 3HD2 LEU 30 -19.202 -9.347 4.736 252 HD22 LEU 30 1HD2 LEU 30 -19.056 -8.227 3.380 253 HD23 LEU 30 2HD2 LEU 30 -18.857 -7.643 5.029 254 H GLY 31 H GLY 31 -14.847 -6.445 1.070 255 HA2 GLY 31 2HA GLY 31 -14.148 -3.859 1.941 256 HA3 GLY 31 1HA GLY 31 -13.580 -4.656 0.474 257 H VAL 32 H VAL 32 -15.728 -4.952 -1.081 258 HA VAL 32 HA VAL 32 -16.213 -2.341 -1.991 259 HB VAL 32 HB VAL 32 -17.818 -3.242 -3.607 260 HG11 VAL 32 1HG1 VAL 32 -15.443 -5.037 -3.285 261 HG12 VAL 32 2HG1 VAL 32 -15.487 -3.498 -4.141 262 HG13 VAL 32 3HG1 VAL 32 -16.412 -4.872 -4.748 263 HG21 VAL 32 3HG2 VAL 32 -19.023 -4.837 -2.215 264 HG22 VAL 32 1HG2 VAL 32 -17.587 -5.855 -2.121 265 HG23 VAL 32 2HG2 VAL 32 -18.409 -5.634 -3.666 266 H SER 33 H SER 33 -18.087 -4.406 0.092 267 HA SER 33 HA SER 33 -20.415 -2.813 0.192 268 HB2 SER 33 2HB SER 33 -19.313 -4.710 2.281 269 HB3 SER 33 1HB SER 33 -20.981 -4.144 2.167 270 HG SER 33 HG SER 33 -19.574 -5.925 0.486 271 H PHE 34 H PHE 34 -17.412 -2.856 2.076 272 HA PHE 34 HA PHE 34 -18.182 -0.986 4.024 273 HB2 PHE 34 2HB PHE 34 -16.240 -2.463 4.332 274 HB3 PHE 34 1HB PHE 34 -15.414 -1.674 2.997 275 HD1 PHE 34 2HD PHE 34 -16.908 -0.953 6.326 276 HD2 PHE 34 1HD PHE 34 -13.976 0.097 3.431 277 HE1 PHE 34 2HE PHE 34 -15.930 0.664 7.902 278 HE2 PHE 34 1HE PHE 34 -12.995 1.713 4.997 279 HZ PHE 34 HZ PHE 34 -13.973 2.000 7.237 280 H ALA 35 H ALA 35 -16.682 -0.687 0.876 281 HA ALA 35 HA ALA 35 -16.174 2.074 0.938 282 HB1 ALA 35 1HB ALA 35 -15.247 0.595 -0.790 283 HB2 ALA 35 2HB ALA 35 -16.122 1.951 -1.505 284 HB3 ALA 35 3HB ALA 35 -16.867 0.354 -1.446 285 H ILE 36 H ILE 36 -18.952 0.274 -0.323 286 HA ILE 36 HA ILE 36 -20.506 2.413 -1.193 287 HB ILE 36 HB ILE 36 -21.496 -0.202 -0.023 288 HG12 ILE 36 2HG1 ILE 36 -20.015 -0.599 -1.911 289 HG13 ILE 36 1HG1 ILE 36 -21.676 -0.955 -2.361 290 HG21 ILE 36 1HG2 ILE 36 -22.952 1.765 -1.781 291 HG22 ILE 36 2HG2 ILE 36 -23.294 1.419 -0.087 292 HG23 ILE 36 3HG2 ILE 36 -23.550 0.174 -1.310 293 HD11 ILE 36 3HD1 ILE 36 -21.799 1.214 -3.515 294 HD12 ILE 36 1HD1 ILE 36 -20.529 0.166 -4.155 295 HD13 ILE 36 2HD1 ILE 36 -20.108 1.503 -3.089 296 H LYS 37 H LYS 37 -20.574 0.847 1.997 297 HA LYS 37 HA LYS 37 -22.631 2.556 2.982 298 HB2 LYS 37 2HB LYS 37 -22.238 1.516 5.164 299 HB3 LYS 37 1HB LYS 37 -22.338 0.317 3.884 300 HG2 LYS 37 2HG LYS 37 -19.890 0.181 3.847 301 HG3 LYS 37 1HG LYS 37 -19.818 1.337 5.173 302 HD2 LYS 37 2HD LYS 37 -19.555 -0.880 6.041 303 HD3 LYS 37 1HD LYS 37 -21.114 -0.235 6.561 304 HE2 LYS 37 2HE LYS 37 -22.233 -1.538 4.778 305 HE3 LYS 37 1HE LYS 37 -20.669 -2.157 4.264 306 HZ1 LYS 37 3HZ LYS 37 -21.834 -3.746 5.658 307 HZ2 LYS 37 1HZ LYS 37 -21.911 -2.629 6.921 308 HZ3 LYS 37 2HZ LYS 37 -20.425 -3.232 6.403 309 H SER 38 H SER 38 -19.221 2.908 2.818 310 HA SER 38 HA SER 38 -19.282 5.076 4.761 311 HB2 SER 38 2HB SER 38 -16.946 3.985 3.181 312 HB3 SER 38 1HB SER 38 -16.855 5.122 4.528 313 HG SER 38 HG SER 38 -17.416 2.399 4.488 314 H GLY 39 H GLY 39 -19.947 4.762 1.524 315 HA2 GLY 39 2HA GLY 39 -20.435 6.402 -0.027 316 HA3 GLY 39 1HA GLY 39 -19.872 7.604 1.123 317 H ILE 40 H ILE 40 -17.985 4.892 0.089 318 HA ILE 40 HA ILE 40 -15.998 6.729 -1.073 319 HB ILE 40 HB ILE 40 -15.684 3.880 -0.047 320 HG12 ILE 40 2HG1 ILE 40 -14.766 6.488 1.182 321 HG13 ILE 40 1HG1 ILE 40 -16.137 5.542 1.735 322 HG21 ILE 40 1HG2 ILE 40 -14.094 4.436 -1.847 323 HG22 ILE 40 2HG2 ILE 40 -13.286 4.219 -0.299 324 HG23 ILE 40 3HG2 ILE 40 -13.557 5.843 -0.924 325 HD11 ILE 40 3HD1 ILE 40 -14.630 3.714 2.330 326 HD12 ILE 40 1HD1 ILE 40 -14.198 5.213 3.151 327 HD13 ILE 40 2HD1 ILE 40 -13.256 4.670 1.765 328 H ASP 41 H ASP 41 -15.473 6.553 -3.161 329 HA ASP 41 HA ASP 41 -17.178 4.962 -4.780 330 HB2 ASP 41 2HB ASP 41 -16.090 6.064 -6.688 331 HB3 ASP 41 1HB ASP 41 -16.697 7.212 -5.513 332 H ILE 42 H ILE 42 -16.881 2.967 -5.063 333 HA ILE 42 HA ILE 42 -14.176 1.873 -5.059 334 HB ILE 42 HB ILE 42 -15.793 0.883 -3.477 335 HG12 ILE 42 2HG1 ILE 42 -15.508 -1.515 -4.082 336 HG13 ILE 42 1HG1 ILE 42 -14.907 -1.015 -5.661 337 HG21 ILE 42 1HG2 ILE 42 -17.643 -0.535 -4.266 338 HG22 ILE 42 2HG2 ILE 42 -17.354 0.043 -5.907 339 HG23 ILE 42 3HG2 ILE 42 -17.858 1.174 -4.650 340 HD11 ILE 42 3HD1 ILE 42 -13.656 -0.397 -2.992 341 HD12 ILE 42 1HD1 ILE 42 -13.036 0.135 -4.555 342 HD13 ILE 42 2HD1 ILE 42 -13.086 -1.583 -4.166 343 H ASP 43 H ASP 43 -16.831 2.514 -7.154 344 HA ASP 43 HA ASP 43 -16.248 0.571 -9.140 345 HB2 ASP 43 2HB ASP 43 -17.748 1.737 -10.632 346 HB3 ASP 43 1HB ASP 43 -18.457 1.757 -9.031 347 H SER 44 H SER 44 -14.964 3.640 -8.409 348 HA SER 44 HA SER 44 -13.627 4.100 -10.881 349 HB2 SER 44 2HB SER 44 -14.168 5.836 -9.113 350 HB3 SER 44 1HB SER 44 -12.894 5.137 -8.128 351 HG SER 44 HG SER 44 -12.525 7.031 -9.560 352 H ALA 45 H ALA 45 -12.948 2.320 -7.974 353 HA ALA 45 HA ALA 45 -10.209 1.849 -8.580 354 HB1 ALA 45 1HB ALA 45 -11.043 1.748 -6.273 355 HB2 ALA 45 2HB ALA 45 -10.330 0.204 -6.747 356 HB3 ALA 45 3HB ALA 45 -12.080 0.392 -6.709 357 H LEU 46 H LEU 46 -13.210 0.010 -8.809 358 HA LEU 46 HA LEU 46 -12.293 -2.357 -9.925 359 HB2 LEU 46 2HB LEU 46 -14.879 -0.940 -10.564 360 HB3 LEU 46 1HB LEU 46 -14.552 -2.635 -10.839 361 HG LEU 46 HG LEU 46 -14.800 -1.270 -8.157 362 HD11 LEU 46 1HD1 LEU 46 -16.801 -2.639 -7.904 363 HD12 LEU 46 2HD1 LEU 46 -16.579 -3.257 -9.539 364 HD13 LEU 46 3HD1 LEU 46 -16.924 -1.547 -9.284 365 HD21 LEU 46 3HD2 LEU 46 -14.642 -3.531 -7.199 366 HD22 LEU 46 1HD2 LEU 46 -13.158 -3.070 -8.028 367 HD23 LEU 46 2HD2 LEU 46 -14.291 -4.176 -8.801 368 H ASP 47 H ASP 47 -13.248 0.631 -11.513 369 HA ASP 47 HA ASP 47 -12.911 -0.160 -14.178 370 HB2 ASP 47 2HB ASP 47 -14.119 1.848 -13.699 371 HB3 ASP 47 1HB ASP 47 -12.730 2.549 -12.882 372 H ARG 48 H ARG 48 -10.516 0.962 -11.839 373 HA ARG 48 HA ARG 48 -8.589 1.243 -13.966 374 HB2 ARG 48 2HB ARG 48 -8.121 1.497 -11.024 375 HB3 ARG 48 1HB ARG 48 -7.054 2.076 -12.305 376 HG2 ARG 48 2HG ARG 48 -8.917 3.532 -13.113 377 HG3 ARG 48 1HG ARG 48 -9.821 2.982 -11.705 378 HD2 ARG 48 2HD ARG 48 -7.976 3.905 -10.311 379 HD3 ARG 48 1HD ARG 48 -7.379 4.705 -11.763 380 HE ARG 48 HE ARG 48 -10.153 5.034 -10.881 381 HH11 ARG 48 1HH1 ARG 48 -7.071 6.599 -11.692 382 HH12 ARG 48 2HH1 ARG 48 -7.737 8.160 -11.745 383 HH21 ARG 48 1HH2 ARG 48 -11.016 7.141 -10.951 384 HH22 ARG 48 2HH2 ARG 48 -10.030 8.485 -11.334 385 H GLY 49 H GLY 49 -9.727 -1.336 -12.249 386 HA2 GLY 49 2HA GLY 49 -8.783 -3.400 -13.353 387 HA3 GLY 49 1HA GLY 49 -7.218 -2.786 -12.860 388 H VAL 50 H VAL 50 -9.747 -2.349 -10.591 389 HA VAL 50 HA VAL 50 -8.553 -4.409 -8.934 390 HB VAL 50 HB VAL 50 -10.742 -2.402 -8.244 391 HG11 VAL 50 1HG1 VAL 50 -9.121 -4.204 -6.454 392 HG12 VAL 50 2HG1 VAL 50 -10.826 -4.398 -6.852 393 HG13 VAL 50 3HG1 VAL 50 -10.292 -2.996 -5.924 394 HG21 VAL 50 3HG2 VAL 50 -7.807 -2.369 -7.568 395 HG22 VAL 50 1HG2 VAL 50 -9.008 -1.231 -6.988 396 HG23 VAL 50 2HG2 VAL 50 -8.619 -1.295 -8.706 397 H ILE 51 H ILE 51 -9.375 -6.354 -8.744 398 HA ILE 51 HA ILE 51 -12.027 -6.913 -9.879 399 HB ILE 51 HB ILE 51 -11.382 -9.261 -9.972 400 HG12 ILE 51 2HG1 ILE 51 -8.741 -8.464 -8.707 401 HG13 ILE 51 1HG1 ILE 51 -10.038 -9.314 -7.876 402 HG21 ILE 51 1HG2 ILE 51 -10.681 -7.941 -11.851 403 HG22 ILE 51 2HG2 ILE 51 -9.433 -9.149 -11.511 404 HG23 ILE 51 3HG2 ILE 51 -9.186 -7.485 -11.037 405 HD11 ILE 51 3HD1 ILE 51 -8.283 -10.862 -8.571 406 HD12 ILE 51 1HD1 ILE 51 -8.483 -10.340 -10.244 407 HD13 ILE 51 2HD1 ILE 51 -9.788 -11.192 -9.425 408 H VAL 52 H VAL 52 -13.363 -8.501 -8.675 409 HA VAL 52 HA VAL 52 -13.121 -8.009 -5.791 410 HB VAL 52 HB VAL 52 -15.599 -8.858 -7.338 411 HG11 VAL 52 1HG1 VAL 52 -16.823 -8.284 -5.290 412 HG12 VAL 52 2HG1 VAL 52 -15.297 -7.933 -4.484 413 HG13 VAL 52 3HG1 VAL 52 -15.652 -9.575 -5.022 414 HG21 VAL 52 3HG2 VAL 52 -14.960 -6.592 -7.980 415 HG22 VAL 52 1HG2 VAL 52 -14.873 -6.122 -6.283 416 HG23 VAL 52 2HG2 VAL 52 -16.424 -6.565 -7.000 417 H ARG 53 H ARG 53 -12.681 -9.696 -4.543 418 HA ARG 53 HA ARG 53 -13.234 -12.404 -5.547 419 HB2 ARG 53 2HB ARG 53 -10.856 -11.951 -5.898 420 HB3 ARG 53 1HB ARG 53 -10.697 -11.415 -4.249 421 HG2 ARG 53 2HG ARG 53 -9.679 -13.587 -4.505 422 HG3 ARG 53 1HG ARG 53 -11.089 -13.727 -3.472 423 HD2 ARG 53 2HD ARG 53 -11.276 -14.326 -6.414 424 HD3 ARG 53 1HD ARG 53 -10.635 -15.510 -5.293 425 HE ARG 53 HE ARG 53 -12.809 -15.208 -4.065 426 HH11 ARG 53 1HH1 ARG 53 -12.690 -14.637 -7.549 427 HH12 ARG 53 2HH1 ARG 53 -14.235 -15.275 -7.860 428 HH21 ARG 53 1HH2 ARG 53 -14.922 -16.104 -4.481 429 HH22 ARG 53 2HH2 ARG 53 -15.531 -16.122 -6.072 430 H ALA 54 H ALA 54 -14.429 -13.408 -4.194 431 HA ALA 54 HA ALA 54 -14.629 -12.616 -1.400 432 HB1 ALA 54 1HB ALA 54 -16.692 -12.983 -2.657 433 HB2 ALA 54 2HB ALA 54 -16.531 -14.177 -1.366 434 HB3 ALA 54 3HB ALA 54 -16.179 -14.627 -3.033 435 H PHE 55 H PHE 55 -13.980 -13.943 0.244 436 HA PHE 55 HA PHE 55 -12.184 -16.081 -0.387 437 HB2 PHE 55 2HB PHE 55 -11.802 -14.464 1.458 438 HB3 PHE 55 1HB PHE 55 -13.274 -14.996 2.230 439 HD1 PHE 55 1HD PHE 55 -10.229 -16.687 0.863 440 HD2 PHE 55 2HD PHE 55 -12.880 -16.135 4.131 441 HE1 PHE 55 1HE PHE 55 -8.886 -18.245 2.219 442 HE2 PHE 55 2HE PHE 55 -11.561 -17.680 5.483 443 HZ PHE 55 HZ PHE 55 -9.546 -18.743 4.531 444 H SER 56 H SER 56 -13.082 -17.959 -1.050 445 HA SER 56 HA SER 56 -15.769 -18.661 -0.683 446 HB2 SER 56 2HB SER 56 -13.494 -20.501 -1.421 447 HB3 SER 56 1HB SER 56 -15.198 -20.676 -1.847 448 HG SER 56 HG SER 56 -13.251 -19.250 -3.048 449 H HIS 57 H HIS 57 -12.976 -19.252 1.206 450 HA HIS 57 HA HIS 57 -14.149 -21.366 2.803 451 HB2 HIS 57 2HB HIS 57 -11.627 -19.721 3.102 452 HB3 HIS 57 1HB HIS 57 -12.144 -20.887 4.307 453 HD1 HIS 57 1HD HIS 57 -10.323 -20.635 1.024 454 HD2 HIS 57 2HD HIS 57 -12.029 -23.541 3.465 455 HE1 HIS 57 1HE HIS 57 -9.412 -22.777 0.222 456 HE2 HIS 57 2HE HIS 57 -10.632 -24.545 1.526 457 H LYS 58 H LYS 58 -14.374 -20.972 5.233 458 HA LYS 58 HA LYS 58 -15.726 -18.437 5.553 459 HB2 LYS 58 2HB LYS 58 -16.922 -20.498 6.211 460 HB3 LYS 58 1HB LYS 58 -15.647 -20.839 7.378 461 HG2 LYS 58 2HG LYS 58 -16.217 -18.851 8.640 462 HG3 LYS 58 1HG LYS 58 -17.425 -18.402 7.440 463 HD2 LYS 58 2HD LYS 58 -18.494 -19.418 9.364 464 HD3 LYS 58 1HD LYS 58 -18.667 -20.463 7.955 465 HE2 LYS 58 2HE LYS 58 -16.799 -21.827 8.741 466 HE3 LYS 58 1HE LYS 58 -16.630 -20.779 10.151 467 HZ1 LYS 58 3HZ LYS 58 -18.881 -21.430 10.804 468 HZ2 LYS 58 1HZ LYS 58 -17.844 -22.752 10.690 469 HZ3 LYS 58 2HZ LYS 58 -18.962 -22.469 9.469 470 HA PRO 59 HA PRO 59 -12.039 -16.988 7.516 471 HB2 PRO 59 2HB PRO 59 -12.883 -14.466 7.983 472 HB3 PRO 59 1HB PRO 59 -12.458 -15.030 6.363 473 HG2 PRO 59 2HG PRO 59 -15.156 -14.722 7.600 474 HG3 PRO 59 1HG PRO 59 -14.616 -14.301 5.965 475 HD2 PRO 59 2HD PRO 59 -15.988 -16.575 6.562 476 HD3 PRO 59 1HD PRO 59 -14.853 -16.449 5.206 477 HA PRO 60 HA PRO 60 -13.116 -17.446 11.818 478 HB2 PRO 60 2HB PRO 60 -10.727 -16.690 12.878 479 HB3 PRO 60 1HB PRO 60 -10.978 -18.277 12.148 480 HG2 PRO 60 2HG PRO 60 -9.693 -15.842 10.988 481 HG3 PRO 60 1HG PRO 60 -9.204 -17.538 10.848 482 HD2 PRO 60 2HD PRO 60 -10.536 -16.219 8.887 483 HD3 PRO 60 1HD PRO 60 -10.701 -17.963 9.159 484 H LYS 61 H LYS 61 -13.540 -16.095 13.577 485 HA LYS 61 HA LYS 61 -13.854 -13.317 12.870 486 HB2 LYS 61 2HB LYS 61 -15.666 -14.651 13.987 487 HB3 LYS 61 1HB LYS 61 -14.649 -14.736 15.417 488 HG2 LYS 61 2HG LYS 61 -14.704 -12.300 15.605 489 HG3 LYS 61 1HG LYS 61 -15.732 -12.219 14.173 490 HD2 LYS 61 2HD LYS 61 -17.396 -13.635 15.375 491 HD3 LYS 61 1HD LYS 61 -16.388 -13.512 16.816 492 HE2 LYS 61 2HE LYS 61 -17.629 -11.200 15.336 493 HE3 LYS 61 1HE LYS 61 -18.239 -11.889 16.835 494 HZ1 LYS 61 3HZ LYS 61 -15.648 -10.466 16.451 495 HZ2 LYS 61 1HZ LYS 61 -16.115 -11.203 17.899 496 HZ3 LYS 61 2HZ LYS 61 -16.981 -9.920 17.270 497 H VAL 62 H VAL 62 -12.372 -11.903 13.333 498 HA VAL 62 HA VAL 62 -10.347 -12.574 15.285 499 HB VAL 62 HB VAL 62 -9.168 -10.485 14.453 500 HG11 VAL 62 1HG1 VAL 62 -8.589 -12.713 13.634 501 HG12 VAL 62 2HG1 VAL 62 -8.462 -11.525 12.338 502 HG13 VAL 62 3HG1 VAL 62 -9.855 -12.605 12.413 503 HG21 VAL 62 3HG2 VAL 62 -9.928 -9.586 12.280 504 HG22 VAL 62 1HG2 VAL 62 -11.096 -9.287 13.569 505 HG23 VAL 62 2HG2 VAL 62 -11.376 -10.579 12.401 506 H GLY 63 H GLY 63 -9.608 -10.883 16.798 507 HA2 GLY 63 2HA GLY 63 -11.953 -10.139 18.309 508 HA3 GLY 63 1HA GLY 63 -10.291 -10.079 18.868 509 H ASN 64 H ASN 64 -8.979 -8.329 17.748 510 HA ASN 64 HA ASN 64 -10.453 -5.905 18.213 511 HB2 ASN 64 2HB ASN 64 -8.398 -5.938 19.318 512 HB3 ASN 64 1HB ASN 64 -7.515 -6.470 17.906 513 HD21 ASN 64 1HD2 ASN 64 -6.849 -4.948 16.433 514 HD22 ASN 64 2HD2 ASN 64 -6.944 -3.242 16.696 515 H LEU 65 H LEU 65 -9.085 -7.497 15.454 516 HA LEU 65 HA LEU 65 -9.429 -5.180 13.787 517 HB2 LEU 65 2HB LEU 65 -8.792 -8.052 13.111 518 HB3 LEU 65 1HB LEU 65 -8.946 -6.795 11.904 519 HG LEU 65 HG LEU 65 -6.859 -6.993 14.063 520 HD11 LEU 65 1HD1 LEU 65 -5.313 -7.270 12.209 521 HD12 LEU 65 2HD1 LEU 65 -6.662 -7.202 11.074 522 HD13 LEU 65 3HD1 LEU 65 -6.545 -8.534 12.223 523 HD21 LEU 65 3HD2 LEU 65 -5.846 -5.021 13.001 524 HD22 LEU 65 1HD2 LEU 65 -7.420 -4.650 13.707 525 HD23 LEU 65 2HD2 LEU 65 -7.260 -4.869 11.963 526 HA PRO 66 HA PRO 66 -13.587 -6.163 12.643 527 HB2 PRO 66 2HB PRO 66 -13.812 -4.754 10.371 528 HB3 PRO 66 1HB PRO 66 -13.665 -3.953 11.939 529 HG2 PRO 66 2HG PRO 66 -11.601 -4.388 9.830 530 HG3 PRO 66 1HG PRO 66 -11.869 -2.971 10.861 531 HD2 PRO 66 2HD PRO 66 -9.954 -4.907 11.299 532 HD3 PRO 66 1HD PRO 66 -10.615 -3.835 12.550 533 H GLN 67 H GLN 67 -14.765 -7.457 11.224 534 HA GLN 67 HA GLN 67 -13.352 -9.547 10.005 535 HB2 GLN 67 2HB GLN 67 -16.262 -8.823 9.971 536 HB3 GLN 67 1HB GLN 67 -15.636 -10.204 9.091 537 HG2 GLN 67 2HG GLN 67 -15.458 -9.759 12.060 538 HG3 GLN 67 1HG GLN 67 -16.538 -10.879 11.233 539 HE21 GLN 67 1HE2 GLN 67 -15.599 -12.677 10.140 540 HE22 GLN 67 2HE2 GLN 67 -14.061 -13.297 10.650 541 H TYR 68 H TYR 68 -14.702 -6.614 8.687 542 HA TYR 68 HA TYR 68 -14.531 -7.485 6.033 543 HB2 TYR 68 2HB TYR 68 -14.525 -5.023 5.349 544 HB3 TYR 68 1HB TYR 68 -15.896 -5.580 6.284 545 HD1 TYR 68 1HD TYR 68 -12.687 -3.708 6.577 546 HD2 TYR 68 2HD TYR 68 -16.531 -4.448 8.208 547 HE1 TYR 68 1HE TYR 68 -12.392 -1.813 8.104 548 HE2 TYR 68 2HE TYR 68 -16.247 -2.558 9.753 549 HH TYR 68 HH TYR 68 -13.690 -0.308 9.419 550 H GLU 69 H GLU 69 -12.014 -6.235 8.097 551 HA GLU 69 HA GLU 69 -10.270 -6.294 5.798 552 HB2 GLU 69 2HB GLU 69 -9.603 -5.537 8.645 553 HB3 GLU 69 1HB GLU 69 -8.455 -5.510 7.308 554 HG2 GLU 69 2HG GLU 69 -10.246 -3.985 6.181 555 HG3 GLU 69 1HG GLU 69 -10.790 -3.746 7.832 556 H SER 70 H SER 70 -11.119 -8.249 8.482 557 HA SER 70 HA SER 70 -8.997 -10.081 8.364 558 HB2 SER 70 2HB SER 70 -10.798 -10.053 10.144 559 HB3 SER 70 1HB SER 70 -11.924 -10.683 8.947 560 HG SER 70 HG SER 70 -11.095 -12.357 10.201 561 H GLU 71 H GLU 71 -11.998 -9.771 6.540 562 HA GLU 71 HA GLU 71 -11.946 -11.983 4.836 563 HB2 GLU 71 2HB GLU 71 -13.742 -10.220 5.111 564 HB3 GLU 71 1HB GLU 71 -12.750 -9.139 4.163 565 HG2 GLU 71 2HG GLU 71 -14.410 -9.954 2.729 566 HG3 GLU 71 1HG GLU 71 -12.937 -10.811 2.282 567 H ALA 72 H ALA 72 -10.528 -8.725 4.466 568 HA ALA 72 HA ALA 72 -9.304 -9.092 1.959 569 HB1 ALA 72 1HB ALA 72 -9.648 -6.884 2.987 570 HB2 ALA 72 2HB ALA 72 -7.972 -7.127 2.492 571 HB3 ALA 72 3HB ALA 72 -8.418 -7.268 4.193 572 H ILE 73 H ILE 73 -7.967 -9.469 5.215 573 HA ILE 73 HA ILE 73 -5.391 -10.286 4.474 574 HB ILE 73 HB ILE 73 -6.982 -11.104 6.928 575 HG12 ILE 73 2HG1 ILE 73 -4.956 -8.885 6.543 576 HG13 ILE 73 1HG1 ILE 73 -6.692 -8.673 6.734 577 HG21 ILE 73 1HG2 ILE 73 -4.808 -11.612 7.966 578 HG22 ILE 73 2HG2 ILE 73 -4.007 -11.285 6.426 579 HG23 ILE 73 3HG2 ILE 73 -5.129 -12.638 6.567 580 HD11 ILE 73 3HD1 ILE 73 -4.786 -9.768 8.779 581 HD12 ILE 73 1HD1 ILE 73 -6.528 -9.605 9.005 582 HD13 ILE 73 2HD1 ILE 73 -5.521 -8.170 8.800 583 H MET 74 H MET 74 -8.317 -12.162 5.052 584 HA MET 74 HA MET 74 -7.143 -14.694 4.664 585 HB2 MET 74 2HB MET 74 -10.007 -13.823 4.416 586 HB3 MET 74 1HB MET 74 -9.480 -15.490 4.309 587 HG2 MET 74 2HG MET 74 -9.065 -13.742 6.728 588 HG3 MET 74 1HG MET 74 -10.451 -14.791 6.513 589 HE1 MET 74 3HE MET 74 -6.208 -16.053 7.766 590 HE2 MET 74 1HE MET 74 -6.771 -14.414 7.547 591 HE3 MET 74 2HE MET 74 -6.308 -15.412 6.148 592 H VAL 75 H VAL 75 -8.731 -12.538 2.370 593 HA VAL 75 HA VAL 75 -8.489 -14.367 0.217 594 HB VAL 75 HB VAL 75 -8.840 -11.345 0.196 595 HG11 VAL 75 1HG1 VAL 75 -8.975 -13.254 -2.148 596 HG12 VAL 75 2HG1 VAL 75 -7.731 -12.030 -1.891 597 HG13 VAL 75 3HG1 VAL 75 -9.399 -11.541 -2.185 598 HG21 VAL 75 3HG2 VAL 75 -10.742 -12.543 1.061 599 HG22 VAL 75 1HG2 VAL 75 -10.707 -13.650 -0.314 600 HG23 VAL 75 2HG2 VAL 75 -11.121 -11.965 -0.565 601 H ALA 76 H ALA 76 -6.387 -11.794 1.399 602 HA ALA 76 HA ALA 76 -4.420 -12.028 -0.603 603 HB1 ALA 76 1HB ALA 76 -4.572 -10.109 0.922 604 HB2 ALA 76 2HB ALA 76 -2.966 -10.834 0.936 605 HB3 ALA 76 3HB ALA 76 -4.085 -11.145 2.266 606 H PHE 77 H PHE 77 -5.066 -13.803 2.278 607 HA PHE 77 HA PHE 77 -2.631 -15.312 2.335 608 HB2 PHE 77 2HB PHE 77 -3.969 -14.892 4.352 609 HB3 PHE 77 1HB PHE 77 -5.324 -15.750 3.646 610 HD1 PHE 77 2HD PHE 77 -1.898 -16.143 4.964 611 HD2 PHE 77 1HD PHE 77 -5.519 -18.090 3.869 612 HE1 PHE 77 2HE PHE 77 -1.118 -18.206 6.054 613 HE2 PHE 77 1HE PHE 77 -4.749 -20.152 4.958 614 HZ PHE 77 HZ PHE 77 -2.544 -20.212 6.052 615 H GLU 78 H GLU 78 -5.925 -15.861 1.197 616 HA GLU 78 HA GLU 78 -5.814 -18.521 0.386 617 HB2 GLU 78 2HB GLU 78 -7.841 -17.073 0.576 618 HB3 GLU 78 1HB GLU 78 -7.336 -16.231 -0.874 619 HG2 GLU 78 2HG GLU 78 -8.969 -17.700 -1.591 620 HG3 GLU 78 1HG GLU 78 -7.464 -18.500 -2.032 621 H LEU 79 H LEU 79 -5.209 -15.539 -1.444 622 HA LEU 79 HA LEU 79 -4.380 -17.010 -3.817 623 HB2 LEU 79 2HB LEU 79 -4.473 -14.050 -3.260 624 HB3 LEU 79 1HB LEU 79 -4.101 -14.771 -4.809 625 HG LEU 79 HG LEU 79 -6.742 -14.997 -3.371 626 HD11 LEU 79 1HD1 LEU 79 -7.566 -13.512 -5.146 627 HD12 LEU 79 2HD1 LEU 79 -5.924 -13.361 -5.772 628 HD13 LEU 79 3HD1 LEU 79 -6.321 -12.734 -4.171 629 HD21 LEU 79 3HD2 LEU 79 -7.534 -15.932 -5.505 630 HD22 LEU 79 1HD2 LEU 79 -6.288 -16.941 -4.764 631 HD23 LEU 79 2HD2 LEU 79 -5.879 -15.886 -6.117 632 H ASN 80 H ASN 80 -2.919 -15.653 -1.073 633 HA ASN 80 HA ASN 80 -0.899 -15.051 -0.409 634 HB2 ASN 80 2HB ASN 80 -0.325 -17.471 -1.137 635 HB3 ASN 80 1HB ASN 80 0.332 -16.749 -2.607 636 HD21 ASN 80 1HD2 ASN 80 2.226 -15.460 -2.448 637 HD22 ASN 80 2HD2 ASN 80 3.235 -15.536 -1.041 638 H ALA 81 H ALA 81 -1.597 -13.156 -1.150 639 HA ALA 81 HA ALA 81 -0.239 -12.096 -3.548 640 HB1 ALA 81 1HB ALA 81 -2.905 -11.325 -2.381 641 HB2 ALA 81 2HB ALA 81 -2.658 -12.314 -3.813 642 HB3 ALA 81 3HB ALA 81 -2.159 -10.620 -3.817 643 H LEU 82 H LEU 82 -0.417 -9.521 -3.322 644 HA LEU 82 HA LEU 82 0.973 -8.853 -0.860 645 HB2 LEU 82 2HB LEU 82 0.185 -7.150 -3.234 646 HB3 LEU 82 1HB LEU 82 1.048 -6.549 -1.841 647 HG LEU 82 HG LEU 82 2.084 -8.499 -3.910 648 HD11 LEU 82 1HD1 LEU 82 2.904 -5.717 -3.146 649 HD12 LEU 82 2HD1 LEU 82 2.039 -6.186 -4.610 650 HD13 LEU 82 3HD1 LEU 82 3.691 -6.745 -4.341 651 HD21 LEU 82 3HD2 LEU 82 4.180 -8.394 -2.625 652 HD22 LEU 82 1HD2 LEU 82 2.879 -9.164 -1.714 653 HD23 LEU 82 2HD2 LEU 82 3.336 -7.500 -1.361 654 H LEU 83 H LEU 83 0.051 -7.743 0.788 655 HA LEU 83 HA LEU 83 -2.746 -7.013 0.326 656 HB2 LEU 83 2HB LEU 83 -2.431 -8.672 2.116 657 HB3 LEU 83 1HB LEU 83 -1.376 -7.557 2.965 658 HG LEU 83 HG LEU 83 -3.303 -5.983 3.177 659 HD11 LEU 83 1HD1 LEU 83 -4.663 -6.729 1.328 660 HD12 LEU 83 2HD1 LEU 83 -5.570 -6.860 2.836 661 HD13 LEU 83 3HD1 LEU 83 -4.881 -8.301 2.098 662 HD21 LEU 83 3HD2 LEU 83 -3.689 -8.725 4.354 663 HD22 LEU 83 1HD2 LEU 83 -4.447 -7.245 4.937 664 HD23 LEU 83 2HD2 LEU 83 -2.694 -7.429 5.018 665 H ILE 84 H ILE 84 -3.077 -4.991 0.039 666 HA ILE 84 HA ILE 84 -1.123 -3.040 0.993 667 HB ILE 84 HB ILE 84 -3.514 -2.629 -0.842 668 HG12 ILE 84 2HG1 ILE 84 -0.592 -2.948 -1.592 669 HG13 ILE 84 1HG1 ILE 84 -1.818 -4.189 -1.802 670 HG21 ILE 84 1HG2 ILE 84 -2.770 -0.595 0.286 671 HG22 ILE 84 2HG2 ILE 84 -2.374 -0.521 -1.434 672 HG23 ILE 84 3HG2 ILE 84 -1.116 -0.880 -0.254 673 HD11 ILE 84 3HD1 ILE 84 -1.797 -1.494 -3.143 674 HD12 ILE 84 1HD1 ILE 84 -3.004 -2.758 -3.375 675 HD13 ILE 84 2HD1 ILE 84 -1.334 -3.025 -3.888 676 H ALA 85 H ALA 85 -1.553 -2.308 2.973 677 HA ALA 85 HA ALA 85 -4.331 -1.720 3.665 678 HB1 ALA 85 1HB ALA 85 -2.435 -3.279 5.420 679 HB2 ALA 85 2HB ALA 85 -3.844 -3.936 4.590 680 HB3 ALA 85 3HB ALA 85 -4.051 -2.736 5.869 681 H GLU 86 H GLU 86 -4.554 -0.056 5.105 682 HA GLU 86 HA GLU 86 -2.131 1.521 5.482 683 HB2 GLU 86 2HB GLU 86 -5.033 2.250 5.450 684 HB3 GLU 86 1HB GLU 86 -3.832 3.328 6.150 685 HG2 GLU 86 2HG GLU 86 -3.689 2.272 3.346 686 HG3 GLU 86 1HG GLU 86 -4.416 3.821 3.790 687 H ASP 87 H ASP 87 -4.450 -0.307 7.201 688 HA ASP 87 HA ASP 87 -3.716 0.861 9.752 689 HB2 ASP 87 2HB ASP 87 -6.017 -0.095 9.279 690 HB3 ASP 87 1HB ASP 87 -5.271 -1.687 9.265 691 H LYS 88 H LYS 88 -2.080 0.160 10.973 692 HA LYS 88 HA LYS 88 -0.299 -1.674 9.722 693 HB2 LYS 88 2HB LYS 88 0.019 0.061 12.147 694 HB3 LYS 88 1HB LYS 88 1.203 -1.176 11.763 695 HG2 LYS 88 2HG LYS 88 1.958 0.957 10.920 696 HG3 LYS 88 1HG LYS 88 1.582 -0.103 9.569 697 HD2 LYS 88 2HD LYS 88 -0.630 1.024 9.388 698 HD3 LYS 88 1HD LYS 88 -0.115 2.148 10.643 699 HE2 LYS 88 2HE LYS 88 1.722 2.896 9.233 700 HE3 LYS 88 1HE LYS 88 1.251 1.736 7.987 701 HZ1 LYS 88 3HZ LYS 88 -0.932 2.911 7.917 702 HZ2 LYS 88 1HZ LYS 88 0.380 3.871 7.423 703 HZ3 LYS 88 2HZ LYS 88 -0.273 4.077 8.942 704 H ASP 89 H ASP 89 -2.712 -2.170 12.045 705 HA ASP 89 HA ASP 89 -1.272 -4.404 13.191 706 HB2 ASP 89 2HB ASP 89 -2.955 -3.129 14.561 707 HB3 ASP 89 1HB ASP 89 -4.223 -3.772 13.522 708 H VAL 90 H VAL 90 -3.721 -3.770 10.835 709 HA VAL 90 HA VAL 90 -4.373 -6.395 10.064 710 HB VAL 90 HB VAL 90 -4.192 -3.884 8.349 711 HG11 VAL 90 1HG1 VAL 90 -5.693 -6.443 7.784 712 HG12 VAL 90 2HG1 VAL 90 -4.220 -5.920 6.973 713 HG13 VAL 90 3HG1 VAL 90 -5.703 -4.985 6.793 714 HG21 VAL 90 3HG2 VAL 90 -6.592 -3.708 8.703 715 HG22 VAL 90 1HG2 VAL 90 -5.709 -3.649 10.228 716 HG23 VAL 90 2HG2 VAL 90 -6.543 -5.128 9.748 717 H ILE 91 H ILE 91 -1.858 -4.176 8.999 718 HA ILE 91 HA ILE 91 -0.566 -5.768 7.121 719 HB ILE 91 HB ILE 91 0.578 -3.660 8.975 720 HG12 ILE 91 2HG1 ILE 91 -0.288 -3.488 6.086 721 HG13 ILE 91 1HG1 ILE 91 -1.226 -2.910 7.459 722 HG21 ILE 91 1HG2 ILE 91 2.376 -5.079 8.142 723 HG22 ILE 91 2HG2 ILE 91 2.451 -3.484 7.390 724 HG23 ILE 91 3HG2 ILE 91 1.807 -4.855 6.488 725 HD11 ILE 91 3HD1 ILE 91 1.463 -1.893 6.591 726 HD12 ILE 91 1HD1 ILE 91 0.533 -1.298 7.965 727 HD13 ILE 91 2HD1 ILE 91 -0.092 -1.097 6.330 728 H ASN 92 H ASN 92 0.143 -5.372 10.586 729 HA ASN 92 HA ASN 92 2.255 -7.195 10.727 730 HB2 ASN 92 2HB ASN 92 1.772 -5.574 12.524 731 HB3 ASN 92 1HB ASN 92 0.299 -6.447 12.922 732 HD21 ASN 92 1HD2 ASN 92 0.440 -8.310 14.177 733 HD22 ASN 92 2HD2 ASN 92 1.915 -8.854 14.872 734 H LYS 93 H LYS 93 -1.192 -7.676 11.260 735 HA LYS 93 HA LYS 93 -1.234 -10.313 12.158 736 HB2 LYS 93 2HB LYS 93 -3.059 -8.467 11.979 737 HB3 LYS 93 1HB LYS 93 -3.323 -9.087 10.367 738 HG2 LYS 93 2HG LYS 93 -3.617 -10.696 12.900 739 HG3 LYS 93 1HG LYS 93 -4.935 -9.902 12.061 740 HD2 LYS 93 2HD LYS 93 -4.524 -11.338 10.114 741 HD3 LYS 93 1HD LYS 93 -3.209 -12.128 10.981 742 HE2 LYS 93 2HE LYS 93 -6.136 -12.110 11.750 743 HE3 LYS 93 1HE LYS 93 -5.202 -13.473 11.132 744 HZ1 LYS 93 3HZ LYS 93 -3.833 -13.364 13.148 745 HZ2 LYS 93 1HZ LYS 93 -5.454 -13.618 13.510 746 HZ3 LYS 93 2HZ LYS 93 -4.779 -12.105 13.741 747 H ALA 94 H ALA 94 -1.568 -9.026 8.856 748 HA ALA 94 HA ALA 94 -1.827 -11.545 7.608 749 HB1 ALA 94 1HB ALA 94 -1.545 -10.318 5.523 750 HB2 ALA 94 2HB ALA 94 -0.985 -8.912 6.438 751 HB3 ALA 94 3HB ALA 94 -2.644 -9.477 6.618 752 H LYS 95 H LYS 95 0.899 -9.457 8.296 753 HA LYS 95 HA LYS 95 2.794 -10.828 6.738 754 HB2 LYS 95 2HB LYS 95 3.046 -8.532 7.712 755 HB3 LYS 95 1HB LYS 95 3.306 -9.270 9.281 756 HG2 LYS 95 2HG LYS 95 5.273 -10.468 8.288 757 HG3 LYS 95 1HG LYS 95 5.032 -9.512 6.830 758 HD2 LYS 95 2HD LYS 95 5.642 -8.442 9.585 759 HD3 LYS 95 1HD LYS 95 6.758 -8.533 8.231 760 HE2 LYS 95 2HE LYS 95 5.361 -6.951 6.965 761 HE3 LYS 95 1HE LYS 95 4.231 -6.876 8.312 762 HZ1 LYS 95 3HZ LYS 95 7.080 -6.043 8.447 763 HZ2 LYS 95 1HZ LYS 95 5.948 -5.959 9.691 764 HZ3 LYS 95 2HZ LYS 95 5.770 -4.993 8.326 765 H GLU 96 H GLU 96 1.606 -11.304 10.030 766 HA GLU 96 HA GLU 96 3.419 -13.266 10.917 767 HB2 GLU 96 2HB GLU 96 0.468 -13.075 11.542 768 HB3 GLU 96 1HB GLU 96 1.637 -14.019 12.442 769 HG2 GLU 96 2HG GLU 96 2.763 -11.923 13.091 770 HG3 GLU 96 1HG GLU 96 1.515 -11.022 12.229 771 H LEU 97 H LEU 97 0.618 -13.400 8.872 772 HA LEU 97 HA LEU 97 0.489 -16.280 8.862 773 HB2 LEU 97 2HB LEU 97 -1.029 -14.257 7.234 774 HB3 LEU 97 1HB LEU 97 -1.349 -15.977 7.264 775 HG LEU 97 HG LEU 97 -1.649 -14.104 9.615 776 HD11 LEU 97 1HD1 LEU 97 -4.039 -14.506 9.335 777 HD12 LEU 97 2HD1 LEU 97 -3.708 -15.450 7.884 778 HD13 LEU 97 3HD1 LEU 97 -3.335 -13.726 7.921 779 HD21 LEU 97 3HD2 LEU 97 -1.035 -16.348 10.351 780 HD22 LEU 97 1HD2 LEU 97 -2.304 -17.042 9.335 781 HD23 LEU 97 2HD2 LEU 97 -2.730 -16.026 10.707 782 H GLY 98 H GLY 98 2.535 -14.194 7.338 783 HA2 GLY 98 2HA GLY 98 4.200 -14.945 5.836 784 HA3 GLY 98 1HA GLY 98 3.135 -16.247 5.345 785 H VAL 99 H VAL 99 1.552 -13.290 5.477 786 HA VAL 99 HA VAL 99 1.569 -13.102 2.557 787 HB VAL 99 HB VAL 99 -0.187 -11.735 4.629 788 HG11 VAL 99 1HG1 VAL 99 -0.505 -11.851 1.626 789 HG12 VAL 99 2HG1 VAL 99 -0.054 -10.430 2.564 790 HG13 VAL 99 3HG1 VAL 99 -1.655 -11.140 2.756 791 HG21 VAL 99 3HG2 VAL 99 -0.792 -14.103 2.865 792 HG22 VAL 99 1HG2 VAL 99 -1.959 -13.278 3.898 793 HG23 VAL 99 2HG2 VAL 99 -0.586 -14.125 4.615 794 H ASN 100 H ASN 100 2.318 -11.197 1.567 795 HA ASN 100 HA ASN 100 3.847 -9.501 3.359 796 HB2 ASN 100 2HB ASN 100 4.948 -10.262 1.245 797 HB3 ASN 100 1HB ASN 100 3.750 -9.344 0.336 798 HD21 ASN 100 1HD2 ASN 100 5.391 -8.053 -0.554 799 HD22 ASN 100 2HD2 ASN 100 6.150 -6.789 0.346 800 H ALA 101 H ALA 101 2.547 -8.257 4.371 801 HA ALA 101 HA ALA 101 0.638 -6.659 2.860 802 HB1 ALA 101 1HB ALA 101 -0.238 -7.850 4.810 803 HB2 ALA 101 2HB ALA 101 -0.314 -6.103 5.032 804 HB3 ALA 101 3HB ALA 101 0.944 -7.040 5.841 805 H ILE 102 H ILE 102 0.982 -4.570 2.596 806 HA ILE 102 HA ILE 102 3.036 -3.285 4.135 807 HB ILE 102 HB ILE 102 3.923 -2.207 1.962 808 HG12 ILE 102 2HG1 ILE 102 3.969 -3.855 -0.008 809 HG13 ILE 102 1HG1 ILE 102 2.635 -4.681 0.775 810 HG21 ILE 102 1HG2 ILE 102 4.653 -5.033 2.630 811 HG22 ILE 102 2HG2 ILE 102 5.315 -3.556 3.330 812 HG23 ILE 102 3HG2 ILE 102 5.618 -3.942 1.636 813 HD11 ILE 102 3HD1 ILE 102 1.860 -3.225 -1.003 814 HD12 ILE 102 1HD1 ILE 102 2.630 -1.839 -0.226 815 HD13 ILE 102 2HD1 ILE 102 1.279 -2.653 0.563 816 HA PRO 103 HA PRO 103 0.234 0.155 3.873 817 HB2 PRO 103 2HB PRO 103 2.440 2.042 4.036 818 HB3 PRO 103 1HB PRO 103 1.217 1.658 5.250 819 HG2 PRO 103 2HG PRO 103 3.857 0.992 5.470 820 HG3 PRO 103 1HG PRO 103 2.538 0.141 6.286 821 HD2 PRO 103 2HD PRO 103 4.097 -0.633 3.878 822 HD3 PRO 103 1HD PRO 103 3.378 -1.642 5.150 823 H ILE 104 H ILE 104 -0.151 2.137 2.602 824 HA ILE 104 HA ILE 104 0.209 1.628 -0.095 825 HB ILE 104 HB ILE 104 -0.844 3.981 1.411 826 HG12 ILE 104 2HG1 ILE 104 -2.061 1.939 -0.445 827 HG13 ILE 104 1HG1 ILE 104 -2.131 1.936 1.311 828 HG21 ILE 104 1HG2 ILE 104 -0.548 3.827 -1.586 829 HG22 ILE 104 2HG2 ILE 104 0.124 5.057 -0.514 830 HG23 ILE 104 3HG2 ILE 104 -1.619 4.954 -0.761 831 HD11 ILE 104 3HD1 ILE 104 -3.281 4.052 -0.453 832 HD12 ILE 104 1HD1 ILE 104 -3.467 3.922 1.290 833 HD13 ILE 104 2HD1 ILE 104 -4.203 2.716 0.221 834 H GLU 105 H GLU 105 2.038 3.838 1.942 835 HA GLU 105 HA GLU 105 3.414 5.046 -0.196 836 HB2 GLU 105 2HB GLU 105 4.351 4.739 2.664 837 HB3 GLU 105 1HB GLU 105 5.145 5.720 1.442 838 HG2 GLU 105 2HG GLU 105 3.873 7.167 2.845 839 HG3 GLU 105 1HG GLU 105 3.085 7.095 1.276 840 H GLU 106 H GLU 106 3.843 1.945 1.236 841 HA GLU 106 HA GLU 106 6.509 1.584 0.221 842 HB2 GLU 106 2HB GLU 106 4.485 -0.407 1.215 843 HB3 GLU 106 1HB GLU 106 6.140 -0.814 0.784 844 HG2 GLU 106 2HG GLU 106 5.234 0.997 2.998 845 HG3 GLU 106 1HG GLU 106 5.974 -0.609 3.161 846 H LEU 107 H LEU 107 3.257 0.920 -0.788 847 HA LEU 107 HA LEU 107 3.959 -0.606 -3.077 848 HB2 LEU 107 2HB LEU 107 1.707 -0.591 -1.896 849 HB3 LEU 107 1HB LEU 107 1.418 0.985 -2.583 850 HG LEU 107 HG LEU 107 0.203 -0.883 -3.711 851 HD11 LEU 107 1HD1 LEU 107 2.135 0.574 -5.473 852 HD12 LEU 107 2HD1 LEU 107 0.560 1.152 -4.937 853 HD13 LEU 107 3HD1 LEU 107 0.669 -0.246 -6.007 854 HD21 LEU 107 3HD2 LEU 107 1.894 -2.614 -3.495 855 HD22 LEU 107 1HD2 LEU 107 2.947 -1.741 -4.607 856 HD23 LEU 107 2HD2 LEU 107 1.418 -2.405 -5.181 857 H LEU 108 H LEU 108 3.373 2.796 -2.420 858 HA LEU 108 HA LEU 108 3.623 3.776 -5.057 859 HB2 LEU 108 2HB LEU 108 4.370 5.159 -2.470 860 HB3 LEU 108 1HB LEU 108 4.141 5.948 -4.013 861 HG LEU 108 HG LEU 108 1.998 4.578 -2.387 862 HD11 LEU 108 1HD1 LEU 108 2.509 7.495 -2.920 863 HD12 LEU 108 2HD1 LEU 108 2.723 6.657 -1.383 864 HD13 LEU 108 3HD1 LEU 108 1.110 6.832 -2.079 865 HD21 LEU 108 3HD2 LEU 108 1.485 4.368 -4.754 866 HD22 LEU 108 1HD2 LEU 108 1.808 6.084 -5.003 867 HD23 LEU 108 2HD2 LEU 108 0.432 5.583 -4.032 868 H ALA 109 H ALA 109 6.000 3.174 -2.518 869 HA ALA 109 HA ALA 109 8.249 4.104 -3.980 870 HB1 ALA 109 1HB ALA 109 8.254 3.963 -1.553 871 HB2 ALA 109 2HB ALA 109 9.572 2.998 -2.223 872 HB3 ALA 109 3HB ALA 109 8.104 2.213 -1.635 873 H SER 110 H SER 110 6.434 1.233 -4.123 874 HA SER 110 HA SER 110 8.596 -0.192 -5.494 875 HB2 SER 110 2HB SER 110 5.976 -1.242 -4.411 876 HB3 SER 110 1HB SER 110 7.277 -2.212 -5.106 877 HG SER 110 HG SER 110 7.286 -0.678 -2.738 878 H SER 111 H SER 111 6.630 1.994 -6.469 879 HA SER 111 HA SER 111 4.942 0.718 -8.327 880 HB2 SER 111 2HB SER 111 5.903 3.565 -8.153 881 HB3 SER 111 1HB SER 111 4.682 3.004 -9.298 882 HG SER 111 HG SER 111 4.268 2.273 -6.668 883 H LEU 112 H LEU 112 5.059 0.650 -10.520 884 HA LEU 112 HA LEU 112 5.909 0.242 -12.518 885 HB2 LEU 112 2HB LEU 112 8.473 1.582 -11.604 886 HB3 LEU 112 1HB LEU 112 8.149 1.055 -13.239 887 HG LEU 112 HG LEU 112 6.683 3.249 -11.765 888 HD11 LEU 112 1HD1 LEU 112 7.796 4.742 -13.345 889 HD12 LEU 112 2HD1 LEU 112 8.673 3.368 -14.022 890 HD13 LEU 112 3HD1 LEU 112 8.961 3.862 -12.353 891 HD21 LEU 112 3HD2 LEU 112 5.226 2.097 -13.362 892 HD22 LEU 112 1HD2 LEU 112 6.439 2.312 -14.625 893 HD23 LEU 112 2HD2 LEU 112 5.633 3.716 -13.929 894 H GLU 113 H GLU 113 5.549 -1.733 -11.385 895 HA GLU 113 HA GLU 113 7.394 -3.542 -10.458 896 HB2 GLU 113 2HB GLU 113 5.053 -3.976 -10.385 897 HB3 GLU 113 1HB GLU 113 4.914 -3.861 -12.125 898 HG2 GLU 113 2HG GLU 113 4.669 -6.138 -11.412 899 HG3 GLU 113 1HG GLU 113 6.141 -5.961 -12.352 900 H HIS 114 H HIS 114 6.918 -2.466 -13.726 901 HA HIS 114 HA HIS 114 8.066 -2.702 -15.637 902 HB2 HIS 114 2HB HIS 114 10.078 -4.321 -14.037 903 HB3 HIS 114 1HB HIS 114 10.286 -3.849 -15.715 904 HD1 HIS 114 1HD HIS 114 11.063 -2.795 -12.342 905 HD2 HIS 114 2HD HIS 114 10.377 -0.897 -15.970 906 HE1 HIS 114 1HE HIS 114 12.057 -0.522 -12.100 907 HE2 HIS 114 2HE HIS 114 11.940 0.437 -14.415 908 H HIS 115 H HIS 115 6.554 -3.750 -16.733 909 HA HIS 115 HA HIS 115 7.123 -6.555 -17.190 910 HB2 HIS 115 2HB HIS 115 4.437 -5.372 -16.597 911 HB3 HIS 115 1HB HIS 115 4.552 -6.696 -17.743 912 HD1 HIS 115 1HD HIS 115 5.336 -8.988 -16.795 913 HD2 HIS 115 2HD HIS 115 4.622 -6.067 -13.949 914 HE1 HIS 115 1HE HIS 115 5.204 -10.211 -14.608 915 HE2 HIS 115 2HE HIS 115 4.419 -8.459 -12.991 916 H HIS 116 H HIS 116 7.889 -6.590 -19.147 917 HA HIS 116 HA HIS 116 6.802 -4.749 -21.077 918 HB2 HIS 116 2HB HIS 116 8.977 -6.841 -21.352 919 HB3 HIS 116 1HB HIS 116 8.385 -5.900 -22.717 920 HD1 HIS 116 1HD HIS 116 11.102 -5.906 -20.535 921 HD2 HIS 116 2HD HIS 116 8.547 -2.931 -21.881 922 HE1 HIS 116 1HE HIS 116 12.307 -3.754 -20.114 923 HE2 HIS 116 2HE HIS 116 10.600 -1.981 -20.661 924 H HIS 117 H HIS 117 4.774 -5.339 -20.987 925 HA HIS 117 HA HIS 117 3.984 -7.850 -22.302 926 HB2 HIS 117 2HB HIS 117 3.662 -7.551 -19.703 927 HB3 HIS 117 1HB HIS 117 2.436 -6.385 -20.161 928 HD1 HIS 117 1HD HIS 117 0.145 -7.357 -20.145 929 HD2 HIS 117 2HD HIS 117 3.058 -10.212 -20.946 930 HE1 HIS 117 1HE HIS 117 -1.056 -9.556 -20.194 931 HE2 HIS 117 2HE HIS 117 0.738 -11.276 -20.518 932 H HIS 118 H HIS 118 2.269 -7.407 -23.840 933 HA HIS 118 HA HIS 118 2.333 -4.748 -24.814 934 HB2 HIS 118 2HB HIS 118 0.825 -5.403 -26.619 935 HB3 HIS 118 1HB HIS 118 2.064 -6.615 -26.397 936 HD1 HIS 118 1HD HIS 118 1.263 -9.009 -26.032 937 HD2 HIS 118 2HD HIS 118 -1.814 -6.220 -25.807 938 HE1 HIS 118 1HE HIS 118 -0.855 -10.330 -26.036 939 HE2 HIS 118 2HE HIS 118 -2.666 -8.611 -26.210 940 H HIS 119 H HIS 119 0.044 -6.393 -22.816 941 HA HIS 119 HA HIS 119 -0.901 -3.924 -21.842 942 HB2 HIS 119 2HB HIS 119 -2.352 -4.169 -23.900 943 HB3 HIS 119 1HB HIS 119 -2.903 -5.719 -23.278 944 HD1 HIS 119 1HD HIS 119 -4.459 -5.651 -21.181 945 HD2 HIS 119 2HD HIS 119 -3.552 -1.932 -22.770 946 HE1 HIS 119 1HE HIS 119 -6.119 -4.061 -20.160 947 HE2 HIS 119 2HE HIS 119 -5.383 -1.799 -20.954 Start of MODEL 6 1 H1 MET 1 1HT MET 1 1.133 -11.646 -10.877 2 H2 MET 1 2HT MET 1 0.404 -10.127 -10.702 3 H3 MET 1 3HT MET 1 -0.545 -11.484 -10.870 4 HA MET 1 HA MET 1 0.155 -12.340 -8.751 5 HB2 MET 1 2HB MET 1 2.410 -11.266 -8.733 6 HB3 MET 1 1HB MET 1 1.639 -9.699 -8.539 7 HG2 MET 1 2HG MET 1 0.703 -10.457 -6.388 8 HG3 MET 1 1HG MET 1 1.559 -11.982 -6.572 9 HE1 MET 1 2HE MET 1 1.785 -10.252 -3.999 10 HE2 MET 1 3HE MET 1 3.526 -10.244 -3.693 11 HE3 MET 1 1HE MET 1 2.718 -11.721 -4.219 12 H PHE 2 H PHE 2 -1.296 -11.913 -7.074 13 HA PHE 2 HA PHE 2 -3.199 -9.828 -7.677 14 HB2 PHE 2 2HB PHE 2 -3.217 -11.991 -5.560 15 HB3 PHE 2 1HB PHE 2 -4.537 -10.880 -5.883 16 HD1 PHE 2 1HD PHE 2 -5.689 -10.994 -8.121 17 HD2 PHE 2 2HD PHE 2 -2.968 -13.982 -6.790 18 HE1 PHE 2 1HE PHE 2 -6.618 -12.564 -9.765 19 HE2 PHE 2 2HE PHE 2 -3.894 -15.557 -8.439 20 HZ PHE 2 HZ PHE 2 -5.719 -14.848 -9.928 21 H ALA 3 H ALA 3 -3.651 -8.139 -6.361 22 HA ALA 3 HA ALA 3 -2.083 -7.818 -3.907 23 HB1 ALA 3 1HB ALA 3 -1.123 -6.369 -5.649 24 HB2 ALA 3 2HB ALA 3 -1.919 -5.403 -4.405 25 HB3 ALA 3 3HB ALA 3 -2.716 -5.677 -5.955 26 H VAL 4 H VAL 4 -3.507 -7.871 -2.315 27 HA VAL 4 HA VAL 4 -6.289 -7.218 -2.917 28 HB VAL 4 HB VAL 4 -5.178 -8.557 -0.423 29 HG11 VAL 4 1HG1 VAL 4 -7.496 -9.219 0.013 30 HG12 VAL 4 2HG1 VAL 4 -8.027 -8.348 -1.421 31 HG13 VAL 4 3HG1 VAL 4 -7.349 -7.462 -0.055 32 HG21 VAL 4 3HG2 VAL 4 -6.019 -10.654 -1.335 33 HG22 VAL 4 1HG2 VAL 4 -4.806 -9.951 -2.401 34 HG23 VAL 4 2HG2 VAL 4 -6.522 -9.837 -2.806 35 H ILE 5 H ILE 5 -7.283 -5.567 -2.039 36 HA ILE 5 HA ILE 5 -5.674 -3.674 -0.491 37 HB ILE 5 HB ILE 5 -8.200 -3.252 -2.112 38 HG12 ILE 5 2HG1 ILE 5 -5.344 -2.492 -2.788 39 HG13 ILE 5 1HG1 ILE 5 -6.161 -3.912 -3.424 40 HG21 ILE 5 1HG2 ILE 5 -7.938 -1.608 -0.288 41 HG22 ILE 5 2HG2 ILE 5 -7.726 -0.857 -1.861 42 HG23 ILE 5 3HG2 ILE 5 -6.316 -1.228 -0.869 43 HD11 ILE 5 3HD1 ILE 5 -6.142 -2.096 -5.024 44 HD12 ILE 5 1HD1 ILE 5 -6.975 -1.056 -3.868 45 HD13 ILE 5 2HD1 ILE 5 -7.788 -2.480 -4.522 46 H SER 6 H SER 6 -6.140 -3.536 1.617 47 HA SER 6 HA SER 6 -8.577 -4.604 2.672 48 HB2 SER 6 2HB SER 6 -6.267 -3.166 4.014 49 HB3 SER 6 1HB SER 6 -7.592 -3.970 4.856 50 HG SER 6 HG SER 6 -6.347 -5.619 4.752 51 HA PRO 7 HA PRO 7 -11.036 -0.896 2.635 52 HB2 PRO 7 2HB PRO 7 -11.776 -1.574 5.442 53 HB3 PRO 7 1HB PRO 7 -12.818 -1.235 4.054 54 HG2 PRO 7 2HG PRO 7 -12.512 -3.731 4.841 55 HG3 PRO 7 1HG PRO 7 -12.461 -3.344 3.111 56 HD2 PRO 7 2HD PRO 7 -10.183 -3.877 4.989 57 HD3 PRO 7 1HD PRO 7 -10.456 -4.489 3.340 58 H SER 8 H SER 8 -8.654 -1.257 5.133 59 HA SER 8 HA SER 8 -8.831 1.389 6.141 60 HB2 SER 8 2HB SER 8 -6.474 0.892 6.981 61 HB3 SER 8 1HB SER 8 -7.727 -0.221 7.514 62 HG SER 8 HG SER 8 -6.916 -1.767 6.391 63 H ALA 9 H ALA 9 -7.609 0.113 3.224 64 HA ALA 9 HA ALA 9 -5.774 2.324 2.743 65 HB1 ALA 9 1HB ALA 9 -6.375 -0.210 1.243 66 HB2 ALA 9 2HB ALA 9 -4.962 0.101 2.251 67 HB3 ALA 9 3HB ALA 9 -5.177 0.961 0.727 68 H PHE 10 H PHE 10 -8.905 2.250 2.622 69 HA PHE 10 HA PHE 10 -9.594 2.669 -0.107 70 HB2 PHE 10 2HB PHE 10 -11.057 3.074 2.454 71 HB3 PHE 10 1HB PHE 10 -11.735 3.692 0.946 72 HD1 PHE 10 2HD PHE 10 -9.836 0.723 0.400 73 HD2 PHE 10 1HD PHE 10 -13.611 2.137 1.765 74 HE1 PHE 10 2HE PHE 10 -10.812 -1.465 -0.059 75 HE2 PHE 10 1HE PHE 10 -14.592 -0.067 1.306 76 HZ PHE 10 HZ PHE 10 -13.208 -1.861 0.399 77 H GLY 11 H GLY 11 -10.245 4.351 -1.222 78 HA2 GLY 11 2HA GLY 11 -10.478 6.583 -1.828 79 HA3 GLY 11 1HA GLY 11 -9.734 7.053 -0.303 80 H LYS 12 H LYS 12 -7.457 5.367 -0.557 81 HA LYS 12 HA LYS 12 -5.874 7.036 -2.303 82 HB2 LYS 12 2HB LYS 12 -5.204 4.873 -0.364 83 HB3 LYS 12 1HB LYS 12 -4.003 5.898 -1.162 84 HG2 LYS 12 2HG LYS 12 -6.208 6.922 0.618 85 HG3 LYS 12 1HG LYS 12 -4.610 6.504 1.216 86 HD2 LYS 12 2HD LYS 12 -5.110 8.529 -0.975 87 HD3 LYS 12 1HD LYS 12 -5.010 8.947 0.734 88 HE2 LYS 12 2HE LYS 12 -2.712 8.099 0.822 89 HE3 LYS 12 1HE LYS 12 -2.819 7.589 -0.859 90 HZ1 LYS 12 3HZ LYS 12 -1.655 9.719 -0.509 91 HZ2 LYS 12 1HZ LYS 12 -3.093 10.403 0.031 92 HZ3 LYS 12 2HZ LYS 12 -2.966 9.824 -1.559 93 H LEU 13 H LEU 13 -7.570 4.266 -2.706 94 HA LEU 13 HA LEU 13 -5.950 2.430 -4.023 95 HB2 LEU 13 2HB LEU 13 -8.839 3.114 -4.529 96 HB3 LEU 13 1HB LEU 13 -8.038 1.865 -5.434 97 HG LEU 13 HG LEU 13 -7.593 0.743 -3.203 98 HD11 LEU 13 1HD1 LEU 13 -9.137 1.241 -1.460 99 HD12 LEU 13 2HD1 LEU 13 -9.713 2.657 -2.350 100 HD13 LEU 13 3HD1 LEU 13 -8.047 2.591 -1.761 101 HD21 LEU 13 3HD2 LEU 13 -9.817 -0.261 -3.169 102 HD22 LEU 13 1HD2 LEU 13 -9.190 -0.090 -4.809 103 HD23 LEU 13 2HD2 LEU 13 -10.407 1.037 -4.205 104 H LYS 14 H LYS 14 -7.300 5.360 -5.165 105 HA LYS 14 HA LYS 14 -7.057 5.000 -7.936 106 HB2 LYS 14 2HB LYS 14 -6.930 7.578 -6.374 107 HB3 LYS 14 1HB LYS 14 -7.424 7.380 -8.053 108 HG2 LYS 14 2HG LYS 14 -9.387 6.162 -7.410 109 HG3 LYS 14 1HG LYS 14 -8.869 6.122 -5.727 110 HD2 LYS 14 2HD LYS 14 -9.005 8.607 -5.709 111 HD3 LYS 14 1HD LYS 14 -9.687 8.528 -7.335 112 HE2 LYS 14 2HE LYS 14 -11.542 7.176 -6.497 113 HE3 LYS 14 1HE LYS 14 -10.856 7.223 -4.876 114 HZ1 LYS 14 3HZ LYS 14 -12.592 8.851 -5.090 115 HZ2 LYS 14 1HZ LYS 14 -11.851 9.536 -6.431 116 HZ3 LYS 14 2HZ LYS 14 -11.128 9.656 -4.918 117 H GLU 15 H GLU 15 -4.818 6.191 -5.492 118 HA GLU 15 HA GLU 15 -2.916 7.077 -7.433 119 HB2 GLU 15 2HB GLU 15 -2.727 6.893 -4.428 120 HB3 GLU 15 1HB GLU 15 -1.489 7.588 -5.464 121 HG2 GLU 15 2HG GLU 15 -3.086 9.270 -6.244 122 HG3 GLU 15 1HG GLU 15 -4.323 8.577 -5.197 123 H ILE 16 H ILE 16 -3.252 4.278 -5.293 124 HA ILE 16 HA ILE 16 -0.656 3.274 -5.849 125 HB ILE 16 HB ILE 16 -1.416 1.087 -4.937 126 HG12 ILE 16 2HG1 ILE 16 -4.099 2.457 -4.701 127 HG13 ILE 16 1HG1 ILE 16 -3.727 1.115 -5.768 128 HG21 ILE 16 1HG2 ILE 16 -2.202 3.484 -3.295 129 HG22 ILE 16 2HG2 ILE 16 -0.589 2.783 -3.426 130 HG23 ILE 16 3HG2 ILE 16 -1.888 1.867 -2.660 131 HD11 ILE 16 3HD1 ILE 16 -3.712 1.023 -2.756 132 HD12 ILE 16 1HD1 ILE 16 -3.357 -0.328 -3.831 133 HD13 ILE 16 2HD1 ILE 16 -4.972 0.381 -3.807 134 H LEU 17 H LEU 17 -3.752 2.845 -7.386 135 HA LEU 17 HA LEU 17 -3.218 0.804 -9.195 136 HB2 LEU 17 2HB LEU 17 -5.092 3.128 -9.119 137 HB3 LEU 17 1HB LEU 17 -4.761 2.435 -10.672 138 HG LEU 17 HG LEU 17 -5.834 0.397 -10.130 139 HD11 LEU 17 1HD1 LEU 17 -5.916 1.337 -7.280 140 HD12 LEU 17 2HD1 LEU 17 -4.926 -0.015 -7.897 141 HD13 LEU 17 3HD1 LEU 17 -6.701 -0.089 -7.943 142 HD21 LEU 17 3HD2 LEU 17 -8.016 1.100 -9.457 143 HD22 LEU 17 1HD2 LEU 17 -7.260 2.286 -10.521 144 HD23 LEU 17 2HD2 LEU 17 -7.354 2.592 -8.782 145 H GLY 18 H GLY 18 -2.859 4.308 -9.643 146 HA2 GLY 18 2HA GLY 18 -1.807 4.000 -12.280 147 HA3 GLY 18 1HA GLY 18 -1.949 5.498 -11.380 148 H SER 19 H SER 19 -0.308 4.489 -9.152 149 HA SER 19 HA SER 19 2.130 5.330 -10.359 150 HB2 SER 19 2HB SER 19 1.471 6.133 -8.107 151 HB3 SER 19 1HB SER 19 1.666 4.498 -7.484 152 HG SER 19 HG SER 19 3.646 6.131 -8.658 153 H ASN 20 H ASN 20 0.951 2.232 -9.091 154 HA ASN 20 HA ASN 20 3.656 1.222 -9.602 155 HB2 ASN 20 2HB ASN 20 2.463 0.868 -7.337 156 HB3 ASN 20 1HB ASN 20 1.542 -0.368 -8.183 157 HD21 ASN 20 1HD2 ASN 20 3.489 -0.578 -5.986 158 HD22 ASN 20 2HD2 ASN 20 4.677 -1.702 -6.547 159 H LYS 21 H LYS 21 0.266 0.275 -10.190 160 HA LYS 21 HA LYS 21 -0.722 -1.006 -11.750 161 HB2 LYS 21 2HB LYS 21 1.633 -0.118 -13.422 162 HB3 LYS 21 1HB LYS 21 0.222 -0.950 -14.067 163 HG2 LYS 21 2HG LYS 21 -1.190 0.889 -13.332 164 HG3 LYS 21 1HG LYS 21 0.223 1.713 -12.681 165 HD2 LYS 21 2HD LYS 21 1.171 1.903 -14.889 166 HD3 LYS 21 1HD LYS 21 -0.164 0.971 -15.576 167 HE2 LYS 21 2HE LYS 21 -0.416 3.623 -14.159 168 HE3 LYS 21 1HE LYS 21 -0.462 3.389 -15.906 169 HZ1 LYS 21 3HZ LYS 21 -2.689 3.563 -14.923 170 HZ2 LYS 21 1HZ LYS 21 -2.427 2.192 -13.999 171 HZ3 LYS 21 2HZ LYS 21 -2.466 2.090 -15.668 172 H ASN 22 H ASN 22 -0.279 -2.807 -13.491 173 HA ASN 22 HA ASN 22 0.428 -4.813 -14.145 174 HB2 ASN 22 2HB ASN 22 2.732 -3.997 -14.151 175 HB3 ASN 22 1HB ASN 22 2.868 -4.278 -12.426 176 HD21 ASN 22 1HD2 ASN 22 2.900 -5.722 -15.585 177 HD22 ASN 22 2HD2 ASN 22 3.489 -7.257 -15.079 178 H TYR 23 H TYR 23 -0.133 -4.127 -10.899 179 HA TYR 23 HA TYR 23 -0.243 -6.926 -10.113 180 HB2 TYR 23 2HB TYR 23 -1.042 -4.437 -8.594 181 HB3 TYR 23 1HB TYR 23 -1.189 -6.068 -7.972 182 HD1 TYR 23 2HD TYR 23 1.024 -7.419 -7.751 183 HD2 TYR 23 1HD TYR 23 0.860 -3.200 -8.235 184 HE1 TYR 23 2HE TYR 23 3.280 -7.224 -6.781 185 HE2 TYR 23 1HE TYR 23 3.103 -2.999 -7.263 186 HH TYR 23 HH TYR 23 5.174 -5.594 -6.855 187 H LYS 24 H LYS 24 -2.102 -7.992 -9.669 188 HA LYS 24 HA LYS 24 -4.476 -6.864 -10.867 189 HB2 LYS 24 2HB LYS 24 -3.824 -9.220 -11.399 190 HB3 LYS 24 1HB LYS 24 -3.985 -9.618 -9.702 191 HG2 LYS 24 2HG LYS 24 -5.938 -10.337 -11.012 192 HG3 LYS 24 1HG LYS 24 -6.355 -9.174 -9.757 193 HD2 LYS 24 2HD LYS 24 -7.515 -8.721 -11.889 194 HD3 LYS 24 1HD LYS 24 -6.476 -7.388 -11.400 195 HE2 LYS 24 2HE LYS 24 -6.253 -7.799 -13.786 196 HE3 LYS 24 1HE LYS 24 -4.751 -8.177 -12.964 197 HZ1 LYS 24 3HZ LYS 24 -6.778 -10.189 -13.794 198 HZ2 LYS 24 1HZ LYS 24 -5.288 -10.516 -13.092 199 HZ3 LYS 24 2HZ LYS 24 -5.379 -9.851 -14.636 200 H PHE 25 H PHE 25 -5.271 -5.435 -9.500 201 HA PHE 25 HA PHE 25 -5.079 -5.739 -6.676 202 HB2 PHE 25 2HB PHE 25 -6.587 -3.749 -8.364 203 HB3 PHE 25 1HB PHE 25 -6.397 -3.635 -6.616 204 HD1 PHE 25 1HD PHE 25 -4.106 -3.236 -5.676 205 HD2 PHE 25 2HD PHE 25 -4.903 -3.038 -9.855 206 HE1 PHE 25 1HE PHE 25 -2.009 -1.990 -6.019 207 HE2 PHE 25 2HE PHE 25 -2.810 -1.797 -10.201 208 HZ PHE 25 HZ PHE 25 -1.360 -1.270 -8.280 209 H VAL 26 H VAL 26 -6.434 -6.669 -5.395 210 HA VAL 26 HA VAL 26 -9.080 -7.482 -6.398 211 HB VAL 26 HB VAL 26 -7.318 -8.945 -4.412 212 HG11 VAL 26 1HG1 VAL 26 -9.672 -9.330 -3.983 213 HG12 VAL 26 2HG1 VAL 26 -8.932 -10.793 -4.638 214 HG13 VAL 26 3HG1 VAL 26 -9.928 -9.769 -5.672 215 HG21 VAL 26 3HG2 VAL 26 -7.912 -9.635 -7.281 216 HG22 VAL 26 1HG2 VAL 26 -7.038 -10.664 -6.146 217 HG23 VAL 26 2HG2 VAL 26 -6.359 -9.109 -6.633 218 H ILE 27 H ILE 27 -10.739 -6.989 -5.104 219 HA ILE 27 HA ILE 27 -10.151 -6.044 -2.407 220 HB ILE 27 HB ILE 27 -10.734 -4.335 -4.395 221 HG12 ILE 27 2HG1 ILE 27 -10.250 -3.561 -2.152 222 HG13 ILE 27 1HG1 ILE 27 -11.642 -2.702 -2.780 223 HG21 ILE 27 1HG2 ILE 27 -12.774 -5.272 -5.116 224 HG22 ILE 27 2HG2 ILE 27 -13.098 -3.679 -4.422 225 HG23 ILE 27 3HG2 ILE 27 -13.464 -5.138 -3.501 226 HD11 ILE 27 3HD1 ILE 27 -13.080 -4.199 -1.423 227 HD12 ILE 27 1HD1 ILE 27 -11.955 -3.210 -0.481 228 HD13 ILE 27 2HD1 ILE 27 -11.590 -4.898 -0.757 229 H THR 28 H THR 28 -11.796 -6.688 -0.887 230 HA THR 28 HA THR 28 -13.149 -9.083 -1.668 231 HB THR 28 HB THR 28 -13.740 -9.165 0.768 232 HG1 THR 28 1HG THR 28 -12.097 -7.457 1.795 233 HG21 THR 28 3HG2 THR 28 -11.456 -9.621 1.509 234 HG22 THR 28 1HG2 THR 28 -10.817 -8.716 0.133 235 HG23 THR 28 2HG2 THR 28 -11.697 -10.217 -0.133 236 H THR 29 H THR 29 -15.422 -9.487 -0.781 237 HA THR 29 HA THR 29 -17.242 -7.703 -1.919 238 HB THR 29 HB THR 29 -18.854 -9.248 -0.616 239 HG1 THR 29 1HG THR 29 -17.891 -11.000 0.307 240 HG21 THR 29 3HG2 THR 29 -18.440 -11.069 -2.238 241 HG22 THR 29 1HG2 THR 29 -16.872 -10.362 -2.621 242 HG23 THR 29 2HG2 THR 29 -18.354 -9.488 -3.015 243 H LEU 30 H LEU 30 -16.187 -8.309 1.393 244 HA LEU 30 HA LEU 30 -18.055 -6.576 2.631 245 HB2 LEU 30 2HB LEU 30 -15.311 -7.400 3.586 246 HB3 LEU 30 1HB LEU 30 -16.498 -6.561 4.558 247 HG LEU 30 HG LEU 30 -16.726 -9.375 3.489 248 HD11 LEU 30 1HD1 LEU 30 -16.625 -9.990 5.848 249 HD12 LEU 30 2HD1 LEU 30 -16.388 -8.292 6.273 250 HD13 LEU 30 3HD1 LEU 30 -15.170 -9.142 5.322 251 HD21 LEU 30 3HD2 LEU 30 -18.783 -9.506 4.819 252 HD22 LEU 30 1HD2 LEU 30 -18.919 -8.301 3.541 253 HD23 LEU 30 2HD2 LEU 30 -18.643 -7.793 5.207 254 H GLY 31 H GLY 31 -14.982 -6.104 1.083 255 HA2 GLY 31 2HA GLY 31 -14.514 -3.481 1.991 256 HA3 GLY 31 1HA GLY 31 -13.813 -4.224 0.560 257 H VAL 32 H VAL 32 -15.954 -4.682 -1.067 258 HA VAL 32 HA VAL 32 -16.461 -2.092 -2.031 259 HB VAL 32 HB VAL 32 -18.083 -3.056 -3.655 260 HG11 VAL 32 1HG1 VAL 32 -15.492 -4.544 -3.412 261 HG12 VAL 32 2HG1 VAL 32 -15.760 -3.011 -4.249 262 HG13 VAL 32 3HG1 VAL 32 -16.499 -4.489 -4.854 263 HG21 VAL 32 3HG2 VAL 32 -18.379 -5.497 -3.789 264 HG22 VAL 32 1HG2 VAL 32 -19.060 -4.824 -2.306 265 HG23 VAL 32 2HG2 VAL 32 -17.513 -5.665 -2.259 266 H SER 33 H SER 33 -18.490 -4.190 -0.062 267 HA SER 33 HA SER 33 -20.740 -2.493 -0.245 268 HB2 SER 33 2HB SER 33 -21.506 -3.859 1.770 269 HB3 SER 33 1HB SER 33 -21.154 -4.767 0.299 270 HG SER 33 HG SER 33 -19.500 -5.671 1.218 271 H PHE 34 H PHE 34 -18.082 -2.812 2.061 272 HA PHE 34 HA PHE 34 -18.891 -0.920 3.932 273 HB2 PHE 34 2HB PHE 34 -16.960 -2.388 4.313 274 HB3 PHE 34 1HB PHE 34 -16.081 -1.604 3.011 275 HD1 PHE 34 2HD PHE 34 -17.503 -1.085 6.385 276 HD2 PHE 34 1HD PHE 34 -14.838 0.362 3.403 277 HE1 PHE 34 2HE PHE 34 -16.570 0.517 7.993 278 HE2 PHE 34 1HE PHE 34 -13.903 1.967 5.003 279 HZ PHE 34 HZ PHE 34 -14.769 2.050 7.301 280 H ALA 35 H ALA 35 -17.120 -0.559 0.917 281 HA ALA 35 HA ALA 35 -16.708 2.210 1.090 282 HB1 ALA 35 1HB ALA 35 -16.990 0.495 -1.373 283 HB2 ALA 35 2HB ALA 35 -15.489 0.810 -0.499 284 HB3 ALA 35 3HB ALA 35 -16.325 2.127 -1.324 285 H ILE 36 H ILE 36 -19.197 0.352 -0.604 286 HA ILE 36 HA ILE 36 -20.736 2.452 -1.575 287 HB ILE 36 HB ILE 36 -21.701 -0.274 -0.662 288 HG12 ILE 36 2HG1 ILE 36 -20.063 -0.413 -2.469 289 HG13 ILE 36 1HG1 ILE 36 -21.657 -0.855 -3.059 290 HG21 ILE 36 1HG2 ILE 36 -23.164 1.735 -2.368 291 HG22 ILE 36 2HG2 ILE 36 -23.599 1.239 -0.734 292 HG23 ILE 36 3HG2 ILE 36 -23.686 0.079 -2.060 293 HD11 ILE 36 3HD1 ILE 36 -21.877 1.382 -4.065 294 HD12 ILE 36 1HD1 ILE 36 -20.485 0.489 -4.682 295 HD13 ILE 36 2HD1 ILE 36 -20.252 1.771 -3.497 296 H LYS 37 H LYS 37 -21.184 0.809 1.560 297 HA LYS 37 HA LYS 37 -23.382 2.441 2.305 298 HB2 LYS 37 2HB LYS 37 -23.184 1.486 4.529 299 HB3 LYS 37 1HB LYS 37 -23.019 0.231 3.313 300 HG2 LYS 37 2HG LYS 37 -20.551 0.370 3.602 301 HG3 LYS 37 1HG LYS 37 -20.813 1.490 4.933 302 HD2 LYS 37 2HD LYS 37 -21.875 -1.333 4.789 303 HD3 LYS 37 1HD LYS 37 -20.442 -0.825 5.681 304 HE2 LYS 37 2HE LYS 37 -23.235 0.222 6.196 305 HE3 LYS 37 1HE LYS 37 -22.486 -1.085 7.099 306 HZ1 LYS 37 3HZ LYS 37 -22.281 1.008 8.244 307 HZ2 LYS 37 1HZ LYS 37 -21.447 1.707 6.957 308 HZ3 LYS 37 2HZ LYS 37 -20.775 0.427 7.823 309 H SER 38 H SER 38 -20.006 2.981 2.481 310 HA SER 38 HA SER 38 -20.363 5.188 4.355 311 HB2 SER 38 2HB SER 38 -17.825 4.207 3.045 312 HB3 SER 38 1HB SER 38 -17.950 5.288 4.438 313 HG SER 38 HG SER 38 -18.310 2.553 4.214 314 H GLY 39 H GLY 39 -20.684 4.754 1.089 315 HA2 GLY 39 2HA GLY 39 -20.981 6.272 -0.616 316 HA3 GLY 39 1HA GLY 39 -20.663 7.561 0.540 317 H ILE 40 H ILE 40 -18.530 4.887 -0.174 318 HA ILE 40 HA ILE 40 -16.494 6.821 -0.998 319 HB ILE 40 HB ILE 40 -16.191 3.914 -0.152 320 HG12 ILE 40 2HG1 ILE 40 -15.464 6.448 1.333 321 HG13 ILE 40 1HG1 ILE 40 -16.855 5.438 1.685 322 HG21 ILE 40 1HG2 ILE 40 -13.769 4.365 -0.099 323 HG22 ILE 40 2HG2 ILE 40 -14.062 5.986 -0.729 324 HG23 ILE 40 3HG2 ILE 40 -14.432 4.577 -1.721 325 HD11 ILE 40 3HD1 ILE 40 -13.961 4.625 1.923 326 HD12 ILE 40 1HD1 ILE 40 -15.347 3.591 2.278 327 HD13 ILE 40 2HD1 ILE 40 -15.044 5.028 3.254 328 H ASP 41 H ASP 41 -15.654 6.780 -2.979 329 HA ASP 41 HA ASP 41 -16.954 5.345 -5.041 330 HB2 ASP 41 2HB ASP 41 -16.166 7.569 -5.508 331 HB3 ASP 41 1HB ASP 41 -14.523 7.136 -5.057 332 H ILE 42 H ILE 42 -16.675 3.213 -4.748 333 HA ILE 42 HA ILE 42 -13.949 2.145 -4.887 334 HB ILE 42 HB ILE 42 -15.533 1.267 -3.133 335 HG12 ILE 42 2HG1 ILE 42 -15.156 -1.177 -3.588 336 HG13 ILE 42 1HG1 ILE 42 -14.511 -0.717 -5.164 337 HG21 ILE 42 1HG2 ILE 42 -17.298 -0.331 -3.786 338 HG22 ILE 42 2HG2 ILE 42 -17.079 0.164 -5.467 339 HG23 ILE 42 3HG2 ILE 42 -17.626 1.332 -4.263 340 HD11 ILE 42 3HD1 ILE 42 -12.779 0.602 -4.033 341 HD12 ILE 42 1HD1 ILE 42 -12.745 -1.101 -3.561 342 HD13 ILE 42 2HD1 ILE 42 -13.457 0.100 -2.481 343 H ASP 43 H ASP 43 -16.725 2.777 -6.664 344 HA ASP 43 HA ASP 43 -16.753 0.696 -8.541 345 HB2 ASP 43 2HB ASP 43 -18.665 2.191 -8.131 346 HB3 ASP 43 1HB ASP 43 -17.777 3.507 -8.898 347 H SER 44 H SER 44 -15.193 3.881 -8.648 348 HA SER 44 HA SER 44 -14.275 3.550 -11.303 349 HB2 SER 44 2HB SER 44 -13.157 5.361 -9.169 350 HB3 SER 44 1HB SER 44 -13.007 5.549 -10.921 351 HG SER 44 HG SER 44 -15.059 6.108 -9.222 352 H ALA 45 H ALA 45 -13.096 2.502 -8.236 353 HA ALA 45 HA ALA 45 -10.412 1.980 -9.066 354 HB1 ALA 45 1HB ALA 45 -10.993 2.185 -6.686 355 HB2 ALA 45 2HB ALA 45 -10.281 0.605 -7.026 356 HB3 ALA 45 3HB ALA 45 -12.024 0.760 -6.819 357 H LEU 46 H LEU 46 -13.338 0.044 -8.688 358 HA LEU 46 HA LEU 46 -12.453 -2.411 -9.672 359 HB2 LEU 46 2HB LEU 46 -15.169 -1.141 -10.082 360 HB3 LEU 46 1HB LEU 46 -14.806 -2.844 -10.234 361 HG LEU 46 HG LEU 46 -14.702 -1.244 -7.669 362 HD11 LEU 46 1HD1 LEU 46 -16.672 -2.535 -7.033 363 HD12 LEU 46 2HD1 LEU 46 -16.699 -3.281 -8.630 364 HD13 LEU 46 3HD1 LEU 46 -16.973 -1.547 -8.462 365 HD21 LEU 46 3HD2 LEU 46 -14.354 -4.207 -8.145 366 HD22 LEU 46 1HD2 LEU 46 -14.460 -3.426 -6.568 367 HD23 LEU 46 2HD2 LEU 46 -13.100 -3.079 -7.631 368 H ASP 47 H ASP 47 -13.658 0.408 -11.273 369 HA ASP 47 HA ASP 47 -13.776 -0.450 -13.936 370 HB2 ASP 47 2HB ASP 47 -14.782 1.647 -13.167 371 HB3 ASP 47 1HB ASP 47 -13.184 2.299 -12.850 372 H ARG 48 H ARG 48 -11.047 0.862 -12.065 373 HA ARG 48 HA ARG 48 -9.417 0.959 -14.431 374 HB2 ARG 48 2HB ARG 48 -8.663 1.454 -11.585 375 HB3 ARG 48 1HB ARG 48 -7.630 1.784 -12.978 376 HG2 ARG 48 2HG ARG 48 -9.502 3.306 -13.792 377 HG3 ARG 48 1HG ARG 48 -10.184 3.035 -12.177 378 HD2 ARG 48 2HD ARG 48 -8.182 3.923 -11.169 379 HD3 ARG 48 1HD ARG 48 -7.516 4.276 -12.759 380 HE ARG 48 HE ARG 48 -10.044 5.390 -12.684 381 HH11 ARG 48 1HH1 ARG 48 -6.893 6.036 -11.203 382 HH12 ARG 48 2HH1 ARG 48 -7.195 7.673 -10.905 383 HH21 ARG 48 1HH2 ARG 48 -10.466 7.670 -12.283 384 HH22 ARG 48 2HH2 ARG 48 -9.269 8.616 -11.532 385 H GLY 49 H GLY 49 -10.318 -1.481 -12.430 386 HA2 GLY 49 2HA GLY 49 -9.425 -3.592 -13.499 387 HA3 GLY 49 1HA GLY 49 -7.848 -2.917 -13.148 388 H VAL 50 H VAL 50 -9.759 -2.105 -10.567 389 HA VAL 50 HA VAL 50 -8.683 -4.238 -8.994 390 HB VAL 50 HB VAL 50 -10.750 -2.131 -8.214 391 HG11 VAL 50 1HG1 VAL 50 -9.090 -3.956 -6.478 392 HG12 VAL 50 2HG1 VAL 50 -10.827 -4.088 -6.753 393 HG13 VAL 50 3HG1 VAL 50 -10.172 -2.687 -5.903 394 HG21 VAL 50 3HG2 VAL 50 -8.881 -0.998 -7.097 395 HG22 VAL 50 1HG2 VAL 50 -8.637 -1.113 -8.840 396 HG23 VAL 50 2HG2 VAL 50 -7.772 -2.198 -7.750 397 H ILE 51 H ILE 51 -9.565 -6.150 -8.785 398 HA ILE 51 HA ILE 51 -12.295 -6.465 -9.731 399 HB ILE 51 HB ILE 51 -11.838 -8.892 -9.840 400 HG12 ILE 51 2HG1 ILE 51 -8.962 -8.136 -9.222 401 HG13 ILE 51 1HG1 ILE 51 -10.042 -8.960 -8.106 402 HG21 ILE 51 1HG2 ILE 51 -10.367 -8.794 -11.807 403 HG22 ILE 51 2HG2 ILE 51 -9.945 -7.130 -11.378 404 HG23 ILE 51 3HG2 ILE 51 -11.610 -7.540 -11.797 405 HD11 ILE 51 3HD1 ILE 51 -9.117 -10.027 -10.767 406 HD12 ILE 51 1HD1 ILE 51 -10.161 -10.864 -9.622 407 HD13 ILE 51 2HD1 ILE 51 -8.489 -10.503 -9.193 408 H VAL 52 H VAL 52 -13.836 -7.333 -8.553 409 HA VAL 52 HA VAL 52 -13.289 -7.422 -5.713 410 HB VAL 52 HB VAL 52 -15.213 -6.041 -6.281 411 HG11 VAL 52 1HG1 VAL 52 -17.236 -6.935 -7.348 412 HG12 VAL 52 2HG1 VAL 52 -16.392 -8.463 -7.626 413 HG13 VAL 52 3HG1 VAL 52 -15.832 -6.992 -8.415 414 HG21 VAL 52 3HG2 VAL 52 -16.118 -8.637 -5.032 415 HG22 VAL 52 1HG2 VAL 52 -16.979 -7.101 -4.926 416 HG23 VAL 52 2HG2 VAL 52 -15.384 -7.274 -4.192 417 H ARG 53 H ARG 53 -12.916 -9.247 -4.742 418 HA ARG 53 HA ARG 53 -14.248 -11.648 -5.647 419 HB2 ARG 53 2HB ARG 53 -12.141 -11.542 -6.974 420 HB3 ARG 53 1HB ARG 53 -11.242 -11.549 -5.462 421 HG2 ARG 53 2HG ARG 53 -12.256 -13.721 -4.896 422 HG3 ARG 53 1HG ARG 53 -13.060 -13.725 -6.464 423 HD2 ARG 53 2HD ARG 53 -10.121 -13.557 -6.032 424 HD3 ARG 53 1HD ARG 53 -10.972 -15.065 -6.395 425 HE ARG 53 HE ARG 53 -11.444 -13.002 -8.324 426 HH11 ARG 53 1HH1 ARG 53 -9.248 -15.599 -7.390 427 HH12 ARG 53 2HH1 ARG 53 -8.491 -15.761 -8.898 428 HH21 ARG 53 1HH2 ARG 53 -10.453 -13.193 -10.463 429 HH22 ARG 53 2HH2 ARG 53 -9.242 -14.330 -10.748 430 H ALA 54 H ALA 54 -14.609 -13.011 -4.044 431 HA ALA 54 HA ALA 54 -13.208 -12.616 -1.529 432 HB1 ALA 54 1HB ALA 54 -16.177 -13.031 -1.877 433 HB2 ALA 54 2HB ALA 54 -15.399 -11.552 -1.312 434 HB3 ALA 54 3HB ALA 54 -15.317 -13.020 -0.339 435 H PHE 55 H PHE 55 -13.065 -14.469 -0.368 436 HA PHE 55 HA PHE 55 -13.114 -16.887 -1.940 437 HB2 PHE 55 2HB PHE 55 -11.937 -17.982 -0.097 438 HB3 PHE 55 1HB PHE 55 -11.161 -16.458 -0.455 439 HD1 PHE 55 1HD PHE 55 -13.596 -15.018 1.254 440 HD2 PHE 55 2HD PHE 55 -10.650 -18.007 1.957 441 HE1 PHE 55 1HE PHE 55 -13.628 -14.487 3.635 442 HE2 PHE 55 2HE PHE 55 -10.687 -17.473 4.336 443 HZ PHE 55 HZ PHE 55 -12.185 -15.714 5.185 444 H SER 56 H SER 56 -14.141 -18.941 -0.957 445 HA SER 56 HA SER 56 -16.876 -18.523 -0.771 446 HB2 SER 56 2HB SER 56 -15.344 -20.868 0.401 447 HB3 SER 56 1HB SER 56 -17.010 -20.874 -0.175 448 HG SER 56 HG SER 56 -15.808 -20.026 -2.204 449 H HIS 57 H HIS 57 -14.719 -19.552 1.928 450 HA HIS 57 HA HIS 57 -14.659 -17.462 3.483 451 HB2 HIS 57 2HB HIS 57 -17.327 -17.674 3.558 452 HB3 HIS 57 1HB HIS 57 -16.954 -18.830 4.842 453 HD1 HIS 57 1HD HIS 57 -16.052 -17.881 7.059 454 HD2 HIS 57 2HD HIS 57 -16.575 -15.013 4.109 455 HE1 HIS 57 1HE HIS 57 -15.594 -15.680 8.164 456 HE2 HIS 57 2HE HIS 57 -15.525 -14.063 6.220 457 H LYS 58 H LYS 58 -13.398 -17.809 5.158 458 HA LYS 58 HA LYS 58 -13.455 -20.373 6.504 459 HB2 LYS 58 2HB LYS 58 -10.979 -18.777 5.730 460 HB3 LYS 58 1HB LYS 58 -10.984 -20.165 6.786 461 HG2 LYS 58 2HG LYS 58 -11.683 -21.599 4.946 462 HG3 LYS 58 1HG LYS 58 -11.726 -20.201 3.867 463 HD2 LYS 58 2HD LYS 58 -9.345 -19.846 4.202 464 HD3 LYS 58 1HD LYS 58 -9.287 -21.193 5.339 465 HE2 LYS 58 2HE LYS 58 -9.929 -22.728 3.546 466 HE3 LYS 58 1HE LYS 58 -10.017 -21.378 2.420 467 HZ1 LYS 58 3HZ LYS 58 -7.553 -22.195 3.860 468 HZ2 LYS 58 1HZ LYS 58 -7.688 -20.986 2.687 469 HZ3 LYS 58 2HZ LYS 58 -7.912 -22.598 2.265 470 HA PRO 59 HA PRO 59 -13.986 -17.402 9.765 471 HB2 PRO 59 2HB PRO 59 -12.560 -19.202 11.602 472 HB3 PRO 59 1HB PRO 59 -14.244 -18.674 11.661 473 HG2 PRO 59 2HG PRO 59 -13.601 -21.193 11.012 474 HG3 PRO 59 1HG PRO 59 -14.949 -20.345 10.236 475 HD2 PRO 59 2HD PRO 59 -12.179 -20.817 9.206 476 HD3 PRO 59 1HD PRO 59 -13.739 -20.985 8.368 477 HA PRO 60 HA PRO 60 -9.858 -15.663 9.736 478 HB2 PRO 60 2HB PRO 60 -10.545 -13.134 10.374 479 HB3 PRO 60 1HB PRO 60 -10.793 -13.803 8.760 480 HG2 PRO 60 2HG PRO 60 -12.762 -13.334 10.942 481 HG3 PRO 60 1HG PRO 60 -12.979 -13.209 9.190 482 HD2 PRO 60 2HD PRO 60 -13.785 -15.363 10.765 483 HD3 PRO 60 1HD PRO 60 -13.550 -15.399 9.007 484 H LYS 61 H LYS 61 -8.412 -15.755 11.311 485 HA LYS 61 HA LYS 61 -9.302 -15.472 14.062 486 HB2 LYS 61 2HB LYS 61 -7.975 -17.474 13.451 487 HB3 LYS 61 1HB LYS 61 -6.657 -16.425 12.944 488 HG2 LYS 61 2HG LYS 61 -6.488 -15.558 15.233 489 HG3 LYS 61 1HG LYS 61 -7.791 -16.648 15.700 490 HD2 LYS 61 2HD LYS 61 -6.405 -18.568 15.070 491 HD3 LYS 61 1HD LYS 61 -5.101 -17.466 14.626 492 HE2 LYS 61 2HE LYS 61 -4.776 -18.404 16.867 493 HE3 LYS 61 1HE LYS 61 -4.960 -16.649 16.906 494 HZ1 LYS 61 3HZ LYS 61 -7.280 -16.971 17.577 495 HZ2 LYS 61 1HZ LYS 61 -6.228 -17.703 18.657 496 HZ3 LYS 61 2HZ LYS 61 -7.070 -18.645 17.561 497 H VAL 62 H VAL 62 -9.235 -13.470 14.765 498 HA VAL 62 HA VAL 62 -6.834 -11.892 14.569 499 HB VAL 62 HB VAL 62 -8.152 -9.829 13.950 500 HG11 VAL 62 1HG1 VAL 62 -7.981 -11.953 11.811 501 HG12 VAL 62 2HG1 VAL 62 -6.675 -10.883 12.315 502 HG13 VAL 62 3HG1 VAL 62 -8.104 -10.216 11.524 503 HG21 VAL 62 3HG2 VAL 62 -10.223 -11.842 13.067 504 HG22 VAL 62 1HG2 VAL 62 -10.261 -10.116 12.710 505 HG23 VAL 62 2HG2 VAL 62 -10.394 -10.677 14.378 506 H GLY 63 H GLY 63 -7.005 -10.009 16.019 507 HA2 GLY 63 2HA GLY 63 -8.983 -10.531 18.130 508 HA3 GLY 63 1HA GLY 63 -7.310 -10.110 18.481 509 H ASN 64 H ASN 64 -6.759 -8.051 16.894 510 HA ASN 64 HA ASN 64 -8.484 -6.003 18.066 511 HB2 ASN 64 2HB ASN 64 -6.019 -6.023 18.536 512 HB3 ASN 64 1HB ASN 64 -5.728 -5.725 16.834 513 HD21 ASN 64 1HD2 ASN 64 -8.289 -4.203 18.741 514 HD22 ASN 64 2HD2 ASN 64 -7.644 -2.613 18.648 515 H LEU 65 H LEU 65 -8.425 -7.596 15.281 516 HA LEU 65 HA LEU 65 -8.692 -5.258 13.549 517 HB2 LEU 65 2HB LEU 65 -8.265 -8.140 12.826 518 HB3 LEU 65 1HB LEU 65 -8.404 -6.822 11.687 519 HG LEU 65 HG LEU 65 -6.229 -7.140 13.736 520 HD11 LEU 65 1HD1 LEU 65 -4.785 -7.512 11.807 521 HD12 LEU 65 2HD1 LEU 65 -6.196 -7.471 10.746 522 HD13 LEU 65 3HD1 LEU 65 -6.028 -8.751 11.945 523 HD21 LEU 65 3HD2 LEU 65 -6.582 -4.810 13.413 524 HD22 LEU 65 1HD2 LEU 65 -6.759 -5.030 11.665 525 HD23 LEU 65 2HD2 LEU 65 -5.200 -5.284 12.414 526 HA PRO 66 HA PRO 66 -13.094 -6.121 13.031 527 HB2 PRO 66 2HB PRO 66 -12.862 -4.587 10.529 528 HB3 PRO 66 1HB PRO 66 -13.803 -4.204 11.969 529 HG2 PRO 66 2HG PRO 66 -11.620 -2.787 11.281 530 HG3 PRO 66 1HG PRO 66 -12.058 -3.075 12.971 531 HD2 PRO 66 2HD PRO 66 -9.987 -4.437 11.297 532 HD3 PRO 66 1HD PRO 66 -9.920 -3.894 12.993 533 H GLN 67 H GLN 67 -14.435 -7.226 11.389 534 HA GLN 67 HA GLN 67 -13.033 -9.397 10.265 535 HB2 GLN 67 2HB GLN 67 -15.361 -9.638 11.016 536 HB3 GLN 67 1HB GLN 67 -15.890 -8.578 9.716 537 HG2 GLN 67 2HG GLN 67 -14.963 -10.211 8.076 538 HG3 GLN 67 1HG GLN 67 -14.602 -11.292 9.416 539 HE21 GLN 67 1HE2 GLN 67 -16.307 -11.731 7.125 540 HE22 GLN 67 2HE2 GLN 67 -17.883 -12.041 7.735 541 H TYR 68 H TYR 68 -14.405 -6.492 8.787 542 HA TYR 68 HA TYR 68 -13.999 -7.364 6.186 543 HB2 TYR 68 2HB TYR 68 -14.099 -4.948 5.460 544 HB3 TYR 68 1HB TYR 68 -15.451 -5.519 6.403 545 HD1 TYR 68 1HD TYR 68 -12.182 -3.777 6.938 546 HD2 TYR 68 2HD TYR 68 -16.266 -4.103 8.027 547 HE1 TYR 68 1HE TYR 68 -11.943 -1.816 8.371 548 HE2 TYR 68 2HE TYR 68 -16.035 -2.130 9.487 549 HH TYR 68 HH TYR 68 -14.358 -0.852 10.602 550 H GLU 69 H GLU 69 -11.638 -5.807 8.273 551 HA GLU 69 HA GLU 69 -9.614 -5.561 6.255 552 HB2 GLU 69 2HB GLU 69 -9.324 -5.856 9.258 553 HB3 GLU 69 1HB GLU 69 -8.031 -5.426 8.160 554 HG2 GLU 69 2HG GLU 69 -10.486 -3.786 8.727 555 HG3 GLU 69 1HG GLU 69 -8.882 -3.507 9.393 556 H SER 70 H SER 70 -10.584 -7.951 8.578 557 HA SER 70 HA SER 70 -8.410 -9.713 8.341 558 HB2 SER 70 2HB SER 70 -11.237 -10.292 9.203 559 HB3 SER 70 1HB SER 70 -9.798 -11.239 9.586 560 HG SER 70 HG SER 70 -10.455 -8.618 10.474 561 H GLU 71 H GLU 71 -11.561 -9.561 6.738 562 HA GLU 71 HA GLU 71 -11.481 -12.001 5.382 563 HB2 GLU 71 2HB GLU 71 -13.294 -10.045 5.663 564 HB3 GLU 71 1HB GLU 71 -12.707 -9.643 4.056 565 HG2 GLU 71 2HG GLU 71 -14.546 -11.015 3.677 566 HG3 GLU 71 1HG GLU 71 -13.165 -12.085 3.469 567 H ALA 72 H ALA 72 -10.263 -8.784 4.624 568 HA ALA 72 HA ALA 72 -9.366 -9.305 1.994 569 HB1 ALA 72 1HB ALA 72 -8.302 -7.301 3.994 570 HB2 ALA 72 2HB ALA 72 -9.629 -7.021 2.866 571 HB3 ALA 72 3HB ALA 72 -7.994 -7.288 2.258 572 H ILE 73 H ILE 73 -7.751 -9.421 5.129 573 HA ILE 73 HA ILE 73 -5.234 -10.346 4.319 574 HB ILE 73 HB ILE 73 -6.715 -11.113 6.856 575 HG12 ILE 73 2HG1 ILE 73 -4.752 -8.855 6.376 576 HG13 ILE 73 1HG1 ILE 73 -6.482 -8.674 6.629 577 HG21 ILE 73 1HG2 ILE 73 -4.490 -11.552 7.812 578 HG22 ILE 73 2HG2 ILE 73 -3.764 -11.238 6.235 579 HG23 ILE 73 3HG2 ILE 73 -4.851 -12.609 6.446 580 HD11 ILE 73 3HD1 ILE 73 -6.226 -9.601 8.894 581 HD12 ILE 73 1HD1 ILE 73 -5.247 -8.152 8.663 582 HD13 ILE 73 2HD1 ILE 73 -4.492 -9.738 8.613 583 H MET 74 H MET 74 -8.161 -12.138 5.140 584 HA MET 74 HA MET 74 -7.114 -14.729 4.880 585 HB2 MET 74 2HB MET 74 -9.951 -13.800 4.488 586 HB3 MET 74 1HB MET 74 -9.460 -15.472 4.611 587 HG2 MET 74 2HG MET 74 -9.094 -13.446 6.814 588 HG3 MET 74 1HG MET 74 -10.507 -14.468 6.651 589 HE1 MET 74 3HE MET 74 -6.461 -15.498 6.429 590 HE2 MET 74 1HE MET 74 -6.334 -15.798 8.143 591 HE3 MET 74 2HE MET 74 -6.743 -14.174 7.567 592 H VAL 75 H VAL 75 -8.776 -12.731 2.480 593 HA VAL 75 HA VAL 75 -8.579 -14.683 0.435 594 HB VAL 75 HB VAL 75 -8.924 -11.666 0.190 595 HG11 VAL 75 1HG1 VAL 75 -8.020 -12.575 -1.901 596 HG12 VAL 75 2HG1 VAL 75 -9.705 -12.091 -2.106 597 HG13 VAL 75 3HG1 VAL 75 -9.291 -13.797 -1.929 598 HG21 VAL 75 3HG2 VAL 75 -10.897 -13.941 0.048 599 HG22 VAL 75 1HG2 VAL 75 -11.277 -12.245 -0.249 600 HG23 VAL 75 2HG2 VAL 75 -10.748 -12.760 1.351 601 H ALA 76 H ALA 76 -6.482 -12.010 1.383 602 HA ALA 76 HA ALA 76 -4.560 -12.317 -0.640 603 HB1 ALA 76 1HB ALA 76 -4.157 -11.327 2.185 604 HB2 ALA 76 2HB ALA 76 -4.687 -10.347 0.821 605 HB3 ALA 76 3HB ALA 76 -3.070 -11.053 0.823 606 H PHE 77 H PHE 77 -5.077 -14.013 2.350 607 HA PHE 77 HA PHE 77 -2.603 -15.435 2.374 608 HB2 PHE 77 2HB PHE 77 -3.890 -15.007 4.431 609 HB3 PHE 77 1HB PHE 77 -5.227 -15.949 3.804 610 HD1 PHE 77 1HD PHE 77 -1.575 -16.383 4.468 611 HD2 PHE 77 2HD PHE 77 -5.473 -18.055 4.679 612 HE1 PHE 77 1HE PHE 77 -0.666 -18.366 5.616 613 HE2 PHE 77 2HE PHE 77 -4.574 -20.035 5.813 614 HZ PHE 77 HZ PHE 77 -2.166 -20.192 6.289 615 H GLU 78 H GLU 78 -5.722 -15.939 0.890 616 HA GLU 78 HA GLU 78 -5.330 -18.682 0.240 617 HB2 GLU 78 2HB GLU 78 -7.199 -16.591 -0.859 618 HB3 GLU 78 1HB GLU 78 -7.222 -18.282 -1.319 619 HG2 GLU 78 2HG GLU 78 -7.716 -17.184 1.427 620 HG3 GLU 78 1HG GLU 78 -8.949 -17.754 0.302 621 H LEU 79 H LEU 79 -4.934 -15.605 -1.390 622 HA LEU 79 HA LEU 79 -4.106 -16.900 -3.870 623 HB2 LEU 79 2HB LEU 79 -4.398 -13.980 -3.213 624 HB3 LEU 79 1HB LEU 79 -4.133 -14.659 -4.805 625 HG LEU 79 HG LEU 79 -6.589 -15.060 -3.107 626 HD11 LEU 79 1HD1 LEU 79 -6.163 -13.412 -5.594 627 HD12 LEU 79 2HD1 LEU 79 -6.438 -12.797 -3.963 628 HD13 LEU 79 3HD1 LEU 79 -7.713 -13.685 -4.795 629 HD21 LEU 79 3HD2 LEU 79 -6.195 -17.001 -4.493 630 HD22 LEU 79 1HD2 LEU 79 -5.961 -15.973 -5.912 631 HD23 LEU 79 2HD2 LEU 79 -7.544 -16.072 -5.143 632 H ASN 80 H ASN 80 -2.623 -15.842 -1.087 633 HA ASN 80 HA ASN 80 -0.559 -15.189 -0.410 634 HB2 ASN 80 2HB ASN 80 0.010 -17.408 -1.559 635 HB3 ASN 80 1HB ASN 80 0.495 -16.467 -2.965 636 HD21 ASN 80 1HD2 ASN 80 2.342 -15.140 -2.773 637 HD22 ASN 80 2HD2 ASN 80 3.549 -15.439 -1.571 638 H ALA 81 H ALA 81 -1.683 -13.246 -1.080 639 HA ALA 81 HA ALA 81 -0.682 -11.963 -3.505 640 HB1 ALA 81 1HB ALA 81 -3.094 -12.166 -3.211 641 HB2 ALA 81 2HB ALA 81 -2.572 -10.484 -3.291 642 HB3 ALA 81 3HB ALA 81 -2.984 -11.207 -1.736 643 H LEU 82 H LEU 82 -0.616 -9.573 -3.331 644 HA LEU 82 HA LEU 82 1.205 -8.726 -1.222 645 HB2 LEU 82 2HB LEU 82 1.357 -8.243 -3.793 646 HB3 LEU 82 1HB LEU 82 0.030 -7.148 -3.538 647 HG LEU 82 HG LEU 82 2.109 -5.949 -3.733 648 HD11 LEU 82 1HD1 LEU 82 1.106 -5.841 -0.911 649 HD12 LEU 82 2HD1 LEU 82 0.500 -4.920 -2.291 650 HD13 LEU 82 3HD1 LEU 82 2.135 -4.641 -1.689 651 HD21 LEU 82 3HD2 LEU 82 3.919 -6.194 -2.129 652 HD22 LEU 82 1HD2 LEU 82 3.626 -7.683 -3.023 653 HD23 LEU 82 2HD2 LEU 82 3.059 -7.528 -1.359 654 H LEU 83 H LEU 83 0.245 -7.765 0.579 655 HA LEU 83 HA LEU 83 -2.543 -6.971 0.209 656 HB2 LEU 83 2HB LEU 83 -2.107 -8.661 1.978 657 HB3 LEU 83 1HB LEU 83 -1.109 -7.487 2.815 658 HG LEU 83 HG LEU 83 -3.123 -6.011 3.012 659 HD11 LEU 83 1HD1 LEU 83 -4.580 -8.450 2.024 660 HD12 LEU 83 2HD1 LEU 83 -4.450 -6.896 1.196 661 HD13 LEU 83 3HD1 LEU 83 -5.330 -7.014 2.717 662 HD21 LEU 83 3HD2 LEU 83 -3.342 -8.742 4.255 663 HD22 LEU 83 1HD2 LEU 83 -4.157 -7.284 4.814 664 HD23 LEU 83 2HD2 LEU 83 -2.398 -7.386 4.873 665 H ILE 84 H ILE 84 -3.004 -4.962 0.095 666 HA ILE 84 HA ILE 84 -1.054 -2.988 1.021 667 HB ILE 84 HB ILE 84 -3.444 -2.608 -0.827 668 HG12 ILE 84 2HG1 ILE 84 -0.502 -2.819 -1.530 669 HG13 ILE 84 1HG1 ILE 84 -1.686 -4.091 -1.790 670 HG21 ILE 84 1HG2 ILE 84 -1.112 -0.788 -0.176 671 HG22 ILE 84 2HG2 ILE 84 -2.775 -0.569 0.365 672 HG23 ILE 84 3HG2 ILE 84 -2.384 -0.442 -1.350 673 HD11 ILE 84 3HD1 ILE 84 -1.683 -1.375 -3.082 674 HD12 ILE 84 1HD1 ILE 84 -2.874 -2.646 -3.365 675 HD13 ILE 84 2HD1 ILE 84 -1.194 -2.893 -3.838 676 H ALA 85 H ALA 85 -1.495 -2.317 3.019 677 HA ALA 85 HA ALA 85 -4.250 -1.719 3.734 678 HB1 ALA 85 1HB ALA 85 -2.460 -3.511 5.369 679 HB2 ALA 85 2HB ALA 85 -3.894 -4.018 4.476 680 HB3 ALA 85 3HB ALA 85 -4.051 -2.918 5.847 681 H GLU 86 H GLU 86 -4.412 -0.191 5.324 682 HA GLU 86 HA GLU 86 -1.956 1.322 5.776 683 HB2 GLU 86 2HB GLU 86 -4.860 2.022 6.005 684 HB3 GLU 86 1HB GLU 86 -3.605 3.072 6.641 685 HG2 GLU 86 2HG GLU 86 -3.758 2.144 3.791 686 HG3 GLU 86 1HG GLU 86 -4.423 3.672 4.374 687 H ASP 87 H ASP 87 -4.264 -0.607 7.449 688 HA ASP 87 HA ASP 87 -3.569 0.494 10.010 689 HB2 ASP 87 2HB ASP 87 -5.821 -0.487 9.586 690 HB3 ASP 87 1HB ASP 87 -5.061 -2.071 9.455 691 H LYS 88 H LYS 88 -2.132 -0.195 11.400 692 HA LYS 88 HA LYS 88 0.058 -1.655 10.373 693 HB2 LYS 88 2HB LYS 88 -0.458 -0.620 13.139 694 HB3 LYS 88 1HB LYS 88 1.076 -1.283 12.585 695 HG2 LYS 88 2HG LYS 88 1.217 0.502 10.910 696 HG3 LYS 88 1HG LYS 88 -0.301 1.175 11.513 697 HD2 LYS 88 2HD LYS 88 0.701 1.504 13.703 698 HD3 LYS 88 1HD LYS 88 2.215 0.805 13.127 699 HE2 LYS 88 2HE LYS 88 2.374 2.620 11.457 700 HE3 LYS 88 1HE LYS 88 0.912 3.332 12.137 701 HZ1 LYS 88 3HZ LYS 88 2.072 3.606 14.235 702 HZ2 LYS 88 1HZ LYS 88 2.902 4.374 12.990 703 HZ3 LYS 88 2HZ LYS 88 3.458 2.905 13.602 704 H ASP 89 H ASP 89 -2.574 -2.593 12.542 705 HA ASP 89 HA ASP 89 -1.111 -4.927 13.402 706 HB2 ASP 89 2HB ASP 89 -2.866 -3.792 14.848 707 HB3 ASP 89 1HB ASP 89 -4.101 -4.434 13.781 708 H VAL 90 H VAL 90 -3.433 -4.065 10.997 709 HA VAL 90 HA VAL 90 -4.069 -6.613 9.953 710 HB VAL 90 HB VAL 90 -3.775 -3.977 8.446 711 HG11 VAL 90 1HG1 VAL 90 -5.138 -4.969 6.687 712 HG12 VAL 90 2HG1 VAL 90 -5.212 -6.484 7.568 713 HG13 VAL 90 3HG1 VAL 90 -3.669 -5.918 6.921 714 HG21 VAL 90 3HG2 VAL 90 -6.194 -3.837 8.605 715 HG22 VAL 90 1HG2 VAL 90 -5.461 -3.931 10.207 716 HG23 VAL 90 2HG2 VAL 90 -6.227 -5.355 9.506 717 H ILE 91 H ILE 91 -1.515 -4.338 9.081 718 HA ILE 91 HA ILE 91 -0.178 -5.851 7.156 719 HB ILE 91 HB ILE 91 0.939 -3.821 9.118 720 HG12 ILE 91 2HG1 ILE 91 0.109 -3.487 6.228 721 HG13 ILE 91 1HG1 ILE 91 -0.873 -3.024 7.611 722 HG21 ILE 91 1HG2 ILE 91 2.817 -3.555 7.565 723 HG22 ILE 91 2HG2 ILE 91 2.192 -4.878 6.581 724 HG23 ILE 91 3HG2 ILE 91 2.752 -5.191 8.223 725 HD11 ILE 91 3HD1 ILE 91 1.815 -1.883 6.888 726 HD12 ILE 91 1HD1 ILE 91 0.835 -1.408 8.275 727 HD13 ILE 91 2HD1 ILE 91 0.251 -1.108 6.639 728 H ASN 92 H ASN 92 0.340 -5.639 10.635 729 HA ASN 92 HA ASN 92 2.473 -7.406 10.919 730 HB2 ASN 92 2HB ASN 92 1.783 -5.995 12.751 731 HB3 ASN 92 1HB ASN 92 0.199 -6.754 12.797 732 HD21 ASN 92 1HD2 ASN 92 -0.040 -8.743 13.833 733 HD22 ASN 92 2HD2 ASN 92 1.204 -9.425 14.804 734 H LYS 93 H LYS 93 -1.007 -8.034 11.240 735 HA LYS 93 HA LYS 93 -0.806 -10.720 11.953 736 HB2 LYS 93 2HB LYS 93 -2.768 -8.894 11.926 737 HB3 LYS 93 1HB LYS 93 -3.191 -9.767 10.464 738 HG2 LYS 93 2HG LYS 93 -2.886 -10.939 13.220 739 HG3 LYS 93 1HG LYS 93 -4.410 -10.619 12.396 740 HD2 LYS 93 2HD LYS 93 -3.992 -12.317 10.801 741 HD3 LYS 93 1HD LYS 93 -2.303 -12.455 11.291 742 HE2 LYS 93 2HE LYS 93 -4.721 -13.193 12.917 743 HE3 LYS 93 1HE LYS 93 -3.559 -14.295 12.172 744 HZ1 LYS 93 3HZ LYS 93 -1.815 -13.175 13.631 745 HZ2 LYS 93 1HZ LYS 93 -2.990 -14.067 14.469 746 HZ3 LYS 93 2HZ LYS 93 -3.090 -12.413 14.404 747 H ALA 94 H ALA 94 -1.338 -9.167 8.824 748 HA ALA 94 HA ALA 94 -1.694 -11.514 7.328 749 HB1 ALA 94 1HB ALA 94 -0.605 -8.866 6.419 750 HB2 ALA 94 2HB ALA 94 -2.310 -9.291 6.536 751 HB3 ALA 94 3HB ALA 94 -1.271 -10.126 5.381 752 H LYS 95 H LYS 95 1.191 -9.662 8.155 753 HA LYS 95 HA LYS 95 2.893 -11.160 6.487 754 HB2 LYS 95 2HB LYS 95 3.400 -8.867 7.265 755 HB3 LYS 95 1HB LYS 95 3.666 -9.493 8.885 756 HG2 LYS 95 2HG LYS 95 5.543 -10.794 8.141 757 HG3 LYS 95 1HG LYS 95 5.217 -10.380 6.462 758 HD2 LYS 95 2HD LYS 95 6.027 -8.451 8.634 759 HD3 LYS 95 1HD LYS 95 7.087 -9.099 7.379 760 HE2 LYS 95 2HE LYS 95 5.549 -8.077 5.685 761 HE3 LYS 95 1HE LYS 95 4.705 -7.297 7.019 762 HZ1 LYS 95 3HZ LYS 95 7.561 -6.856 6.273 763 HZ2 LYS 95 1HZ LYS 95 6.811 -6.181 7.624 764 HZ3 LYS 95 2HZ LYS 95 6.314 -5.795 6.072 765 H GLU 96 H GLU 96 1.747 -11.615 9.747 766 HA GLU 96 HA GLU 96 3.575 -13.612 10.593 767 HB2 GLU 96 2HB GLU 96 0.626 -13.484 11.254 768 HB3 GLU 96 1HB GLU 96 1.850 -14.372 12.134 769 HG2 GLU 96 2HG GLU 96 2.896 -12.213 12.736 770 HG3 GLU 96 1HG GLU 96 1.543 -11.393 11.949 771 H LEU 97 H LEU 97 0.761 -13.634 8.571 772 HA LEU 97 HA LEU 97 0.609 -16.513 8.441 773 HB2 LEU 97 2HB LEU 97 -0.876 -14.395 6.898 774 HB3 LEU 97 1HB LEU 97 -1.236 -16.108 6.863 775 HG LEU 97 HG LEU 97 -1.497 -14.298 9.266 776 HD11 LEU 97 1HD1 LEU 97 -3.583 -15.573 7.518 777 HD12 LEU 97 2HD1 LEU 97 -3.178 -13.856 7.585 778 HD13 LEU 97 3HD1 LEU 97 -3.888 -14.650 8.990 779 HD21 LEU 97 3HD2 LEU 97 -0.914 -16.568 9.943 780 HD22 LEU 97 1HD2 LEU 97 -2.200 -17.217 8.925 781 HD23 LEU 97 2HD2 LEU 97 -2.599 -16.226 10.324 782 H GLY 98 H GLY 98 2.589 -14.289 7.060 783 HA2 GLY 98 2HA GLY 98 4.314 -14.901 5.573 784 HA3 GLY 98 1HA GLY 98 3.278 -16.160 4.917 785 H VAL 99 H VAL 99 1.438 -13.459 5.196 786 HA VAL 99 HA VAL 99 1.491 -13.022 2.341 787 HB VAL 99 HB VAL 99 -0.164 -11.696 4.516 788 HG11 VAL 99 1HG1 VAL 99 -0.572 -11.705 1.527 789 HG12 VAL 99 2HG1 VAL 99 -0.068 -10.330 2.507 790 HG13 VAL 99 3HG1 VAL 99 -1.678 -11.014 2.714 791 HG21 VAL 99 3HG2 VAL 99 -1.987 -13.185 3.798 792 HG22 VAL 99 1HG2 VAL 99 -0.605 -14.077 4.436 793 HG23 VAL 99 2HG2 VAL 99 -0.873 -13.992 2.694 794 H ASN 100 H ASN 100 2.353 -11.255 1.369 795 HA ASN 100 HA ASN 100 4.072 -9.615 3.008 796 HB2 ASN 100 2HB ASN 100 4.922 -10.520 0.871 797 HB3 ASN 100 1HB ASN 100 3.692 -9.609 0.006 798 HD21 ASN 100 1HD2 ASN 100 5.276 -8.533 -1.149 799 HD22 ASN 100 2HD2 ASN 100 6.227 -7.267 -0.446 800 H ALA 101 H ALA 101 2.880 -8.263 4.121 801 HA ALA 101 HA ALA 101 0.984 -6.534 2.710 802 HB1 ALA 101 1HB ALA 101 0.002 -6.095 4.889 803 HB2 ALA 101 2HB ALA 101 1.246 -7.072 5.664 804 HB3 ALA 101 3HB ALA 101 0.076 -7.833 4.588 805 H ILE 102 H ILE 102 1.326 -4.423 2.596 806 HA ILE 102 HA ILE 102 3.252 -3.164 4.313 807 HB ILE 102 HB ILE 102 4.234 -1.920 2.272 808 HG12 ILE 102 2HG1 ILE 102 4.434 -3.403 0.191 809 HG13 ILE 102 1HG1 ILE 102 3.096 -4.333 0.841 810 HG21 ILE 102 1HG2 ILE 102 5.994 -3.580 1.903 811 HG22 ILE 102 2HG2 ILE 102 5.019 -4.766 2.775 812 HG23 ILE 102 3HG2 ILE 102 5.600 -3.323 3.603 813 HD11 ILE 102 3HD1 ILE 102 3.035 -1.424 0.090 814 HD12 ILE 102 1HD1 ILE 102 1.679 -2.347 0.732 815 HD13 ILE 102 2HD1 ILE 102 2.355 -2.755 -0.846 816 HA PRO 103 HA PRO 103 0.327 0.178 4.078 817 HB2 PRO 103 2HB PRO 103 2.454 2.173 4.236 818 HB3 PRO 103 1HB PRO 103 1.235 1.754 5.441 819 HG2 PRO 103 2HG PRO 103 3.863 1.181 5.754 820 HG3 PRO 103 1HG PRO 103 2.569 0.185 6.438 821 HD2 PRO 103 2HD PRO 103 4.223 -0.272 3.992 822 HD3 PRO 103 1HD PRO 103 3.662 -1.429 5.214 823 H ILE 104 H ILE 104 -0.268 2.060 2.835 824 HA ILE 104 HA ILE 104 0.029 1.694 0.102 825 HB ILE 104 HB ILE 104 -0.961 4.031 1.694 826 HG12 ILE 104 2HG1 ILE 104 -2.379 1.934 0.060 827 HG13 ILE 104 1HG1 ILE 104 -2.254 1.974 1.816 828 HG21 ILE 104 1HG2 ILE 104 -0.194 4.959 -0.422 829 HG22 ILE 104 2HG2 ILE 104 -1.956 4.951 -0.370 830 HG23 ILE 104 3HG2 ILE 104 -1.094 3.730 -1.310 831 HD11 ILE 104 3HD1 ILE 104 -3.498 4.044 1.862 832 HD12 ILE 104 1HD1 ILE 104 -4.417 2.787 1.027 833 HD13 ILE 104 2HD1 ILE 104 -3.563 4.026 0.101 834 H GLU 105 H GLU 105 1.704 4.053 2.175 835 HA GLU 105 HA GLU 105 2.892 5.226 -0.111 836 HB2 GLU 105 2HB GLU 105 3.636 5.596 2.778 837 HB3 GLU 105 1HB GLU 105 4.238 6.565 1.429 838 HG2 GLU 105 2HG GLU 105 1.936 7.209 0.885 839 HG3 GLU 105 1HG GLU 105 1.370 6.321 2.291 840 H GLU 106 H GLU 106 3.707 2.453 1.639 841 HA GLU 106 HA GLU 106 6.390 2.516 0.594 842 HB2 GLU 106 2HB GLU 106 4.922 0.369 2.103 843 HB3 GLU 106 1HB GLU 106 6.534 0.129 1.440 844 HG2 GLU 106 2HG GLU 106 7.265 2.134 2.745 845 HG3 GLU 106 1HG GLU 106 5.691 2.093 3.544 846 H LEU 107 H LEU 107 3.303 1.280 -0.258 847 HA LEU 107 HA LEU 107 4.160 -0.303 -2.462 848 HB2 LEU 107 2HB LEU 107 1.853 -0.350 -1.367 849 HB3 LEU 107 1HB LEU 107 1.537 1.200 -2.095 850 HG LEU 107 HG LEU 107 0.409 -0.718 -3.211 851 HD11 LEU 107 1HD1 LEU 107 2.341 0.747 -4.975 852 HD12 LEU 107 2HD1 LEU 107 0.745 1.301 -4.481 853 HD13 LEU 107 3HD1 LEU 107 0.905 -0.120 -5.515 854 HD21 LEU 107 3HD2 LEU 107 1.702 -2.226 -4.638 855 HD22 LEU 107 1HD2 LEU 107 2.119 -2.416 -2.937 856 HD23 LEU 107 2HD2 LEU 107 3.197 -1.532 -4.019 857 H LEU 108 H LEU 108 3.333 3.065 -1.952 858 HA LEU 108 HA LEU 108 3.731 3.917 -4.649 859 HB2 LEU 108 2HB LEU 108 3.753 5.529 -2.100 860 HB3 LEU 108 1HB LEU 108 3.692 6.192 -3.716 861 HG LEU 108 HG LEU 108 1.538 4.507 -2.436 862 HD11 LEU 108 1HD1 LEU 108 1.639 7.457 -3.032 863 HD12 LEU 108 2HD1 LEU 108 1.730 6.718 -1.435 864 HD13 LEU 108 3HD1 LEU 108 0.252 6.579 -2.387 865 HD21 LEU 108 3HD2 LEU 108 1.591 4.192 -4.853 866 HD22 LEU 108 1HD2 LEU 108 1.612 5.939 -5.096 867 HD23 LEU 108 2HD2 LEU 108 0.195 5.167 -4.395 868 H ALA 109 H ALA 109 5.877 3.184 -2.121 869 HA ALA 109 HA ALA 109 8.053 4.731 -3.279 870 HB1 ALA 109 1HB ALA 109 9.428 3.793 -1.475 871 HB2 ALA 109 2HB ALA 109 8.092 2.746 -0.996 872 HB3 ALA 109 3HB ALA 109 7.945 4.496 -0.827 873 H SER 110 H SER 110 6.867 1.466 -3.083 874 HA SER 110 HA SER 110 9.142 0.387 -4.517 875 HB2 SER 110 2HB SER 110 6.645 -1.003 -3.519 876 HB3 SER 110 1HB SER 110 8.144 -1.772 -4.045 877 HG SER 110 HG SER 110 7.706 -0.132 -1.784 878 H SER 111 H SER 111 6.684 2.178 -5.537 879 HA SER 111 HA SER 111 5.726 0.567 -7.696 880 HB2 SER 111 2HB SER 111 4.687 2.741 -8.420 881 HB3 SER 111 1HB SER 111 4.256 2.254 -6.781 882 HG SER 111 HG SER 111 4.902 4.487 -7.187 883 H LEU 112 H LEU 112 8.243 2.727 -6.981 884 HA LEU 112 HA LEU 112 10.121 3.340 -7.942 885 HB2 LEU 112 2HB LEU 112 9.620 0.935 -9.667 886 HB3 LEU 112 1HB LEU 112 11.134 1.822 -9.613 887 HG LEU 112 HG LEU 112 9.892 0.417 -7.243 888 HD11 LEU 112 1HD1 LEU 112 11.681 -1.241 -7.559 889 HD12 LEU 112 2HD1 LEU 112 12.102 -0.454 -9.088 890 HD13 LEU 112 3HD1 LEU 112 10.525 -1.205 -8.888 891 HD21 LEU 112 3HD2 LEU 112 12.112 0.729 -6.230 892 HD22 LEU 112 1HD2 LEU 112 11.344 2.270 -6.604 893 HD23 LEU 112 2HD2 LEU 112 12.622 1.647 -7.644 894 H GLU 113 H GLU 113 9.240 5.285 -8.575 895 HA GLU 113 HA GLU 113 8.568 5.560 -11.338 896 HB2 GLU 113 2HB GLU 113 8.680 8.118 -10.777 897 HB3 GLU 113 1HB GLU 113 7.371 7.158 -10.125 898 HG2 GLU 113 2HG GLU 113 8.142 8.660 -8.445 899 HG3 GLU 113 1HG GLU 113 8.596 7.026 -7.991 900 H HIS 114 H HIS 114 11.332 5.880 -9.389 901 HA HIS 114 HA HIS 114 13.019 6.239 -11.742 902 HB2 HIS 114 2HB HIS 114 13.601 5.824 -8.782 903 HB3 HIS 114 1HB HIS 114 14.862 5.699 -9.993 904 HD1 HIS 114 1HD HIS 114 12.475 8.253 -8.505 905 HD2 HIS 114 2HD HIS 114 15.976 8.084 -10.736 906 HE1 HIS 114 1HE HIS 114 13.356 10.591 -8.557 907 HE2 HIS 114 2HE HIS 114 15.592 10.400 -9.673 908 H HIS 115 H HIS 115 13.043 4.489 -12.957 909 HA HIS 115 HA HIS 115 11.961 2.022 -12.204 910 HB2 HIS 115 2HB HIS 115 12.223 2.966 -14.554 911 HB3 HIS 115 1HB HIS 115 13.889 2.412 -14.498 912 HD1 HIS 115 1HD HIS 115 10.604 1.372 -15.542 913 HD2 HIS 115 2HD HIS 115 13.965 -0.557 -14.068 914 HE1 HIS 115 1HE HIS 115 10.363 -1.007 -16.228 915 HE2 HIS 115 2HE HIS 115 12.614 -1.979 -15.700 916 H HIS 116 H HIS 116 12.754 0.852 -10.650 917 HA HIS 116 HA HIS 116 14.058 -0.324 -9.272 918 HB2 HIS 116 2HB HIS 116 15.685 -0.600 -11.773 919 HB3 HIS 116 1HB HIS 116 16.394 -1.112 -10.247 920 HD1 HIS 116 1HD HIS 116 16.381 -3.601 -11.008 921 HD2 HIS 116 2HD HIS 116 12.607 -1.875 -10.833 922 HE1 HIS 116 1HE HIS 116 14.774 -5.501 -11.143 923 HE2 HIS 116 2HE HIS 116 12.509 -4.432 -11.247 924 H HIS 117 H HIS 117 14.899 0.347 -7.557 925 HA HIS 117 HA HIS 117 16.092 2.919 -7.397 926 HB2 HIS 117 2HB HIS 117 14.731 1.771 -5.563 927 HB3 HIS 117 1HB HIS 117 16.142 0.774 -5.246 928 HD1 HIS 117 1HD HIS 117 17.734 1.710 -3.487 929 HD2 HIS 117 2HD HIS 117 15.297 4.637 -5.180 930 HE1 HIS 117 1HE HIS 117 18.219 3.814 -2.234 931 HE2 HIS 117 2HE HIS 117 16.666 5.541 -3.204 932 H HIS 118 H HIS 118 17.269 -0.371 -7.343 933 HA HIS 118 HA HIS 118 19.183 -1.336 -8.002 934 HB2 HIS 118 2HB HIS 118 19.257 0.219 -9.876 935 HB3 HIS 118 1HB HIS 118 19.989 1.447 -8.865 936 HD1 HIS 118 1HD HIS 118 22.344 1.743 -9.527 937 HD2 HIS 118 2HD HIS 118 21.200 -2.242 -9.794 938 HE1 HIS 118 1HE HIS 118 24.388 0.511 -10.243 939 HE2 HIS 118 2HE HIS 118 23.629 -1.822 -10.638 940 H HIS 119 H HIS 119 19.804 1.614 -6.189 941 HA HIS 119 HA HIS 119 21.555 0.101 -4.453 942 HB2 HIS 119 2HB HIS 119 23.021 1.004 -6.222 943 HB3 HIS 119 1HB HIS 119 22.393 2.615 -5.937 944 HD1 HIS 119 1HD HIS 119 24.049 3.963 -4.754 945 HD2 HIS 119 2HD HIS 119 24.187 -0.001 -3.546 946 HE1 HIS 119 1HE HIS 119 25.937 3.834 -3.111 947 HE2 HIS 119 2HE HIS 119 25.759 1.502 -2.174 Start of MODEL 7 1 H1 MET 1 1HT MET 1 1.302 -11.591 -11.193 2 H2 MET 1 2HT MET 1 0.678 -10.026 -11.005 3 H3 MET 1 3HT MET 1 -0.359 -11.326 -11.225 4 HA MET 1 HA MET 1 0.254 -12.267 -9.138 5 HB2 MET 1 2HB MET 1 2.606 -11.311 -9.177 6 HB3 MET 1 1HB MET 1 1.913 -9.747 -8.775 7 HG2 MET 1 2HG MET 1 1.030 -10.707 -6.683 8 HG3 MET 1 1HG MET 1 1.806 -12.234 -7.093 9 HE1 MET 1 2HE MET 1 3.976 -11.015 -4.122 10 HE2 MET 1 3HE MET 1 3.066 -12.360 -4.812 11 HE3 MET 1 1HE MET 1 2.230 -10.886 -4.326 12 H PHE 2 H PHE 2 -1.114 -11.749 -7.407 13 HA PHE 2 HA PHE 2 -2.957 -9.596 -7.995 14 HB2 PHE 2 2HB PHE 2 -3.023 -11.715 -5.844 15 HB3 PHE 2 1HB PHE 2 -4.303 -10.563 -6.170 16 HD1 PHE 2 2HD PHE 2 -5.491 -10.723 -8.405 17 HD2 PHE 2 1HD PHE 2 -2.891 -13.747 -6.939 18 HE1 PHE 2 2HE PHE 2 -6.523 -12.350 -9.933 19 HE2 PHE 2 1HE PHE 2 -3.921 -15.373 -8.457 20 HZ PHE 2 HZ PHE 2 -5.737 -14.678 -9.952 21 H ALA 3 H ALA 3 -3.571 -8.076 -6.459 22 HA ALA 3 HA ALA 3 -1.926 -7.743 -4.076 23 HB1 ALA 3 1HB ALA 3 -0.984 -6.229 -5.772 24 HB2 ALA 3 2HB ALA 3 -1.797 -5.315 -4.501 25 HB3 ALA 3 3HB ALA 3 -2.587 -5.551 -6.061 26 H VAL 4 H VAL 4 -3.360 -7.851 -2.484 27 HA VAL 4 HA VAL 4 -6.148 -7.250 -3.069 28 HB VAL 4 HB VAL 4 -4.939 -8.628 -0.650 29 HG11 VAL 4 1HG1 VAL 4 -7.821 -8.397 -1.530 30 HG12 VAL 4 2HG1 VAL 4 -7.094 -7.574 -0.153 31 HG13 VAL 4 3HG1 VAL 4 -7.242 -9.332 -0.152 32 HG21 VAL 4 3HG2 VAL 4 -5.779 -10.707 -1.603 33 HG22 VAL 4 1HG2 VAL 4 -4.630 -9.940 -2.694 34 HG23 VAL 4 2HG2 VAL 4 -6.361 -9.849 -3.023 35 H ILE 5 H ILE 5 -7.104 -5.552 -2.277 36 HA ILE 5 HA ILE 5 -5.558 -3.713 -0.627 37 HB ILE 5 HB ILE 5 -8.168 -3.291 -2.116 38 HG12 ILE 5 2HG1 ILE 5 -5.367 -2.461 -2.918 39 HG13 ILE 5 1HG1 ILE 5 -6.213 -3.848 -3.585 40 HG21 ILE 5 1HG2 ILE 5 -7.819 -1.731 -0.241 41 HG22 ILE 5 2HG2 ILE 5 -7.714 -0.905 -1.794 42 HG23 ILE 5 3HG2 ILE 5 -6.241 -1.292 -0.903 43 HD11 ILE 5 3HD1 ILE 5 -7.924 -2.345 -4.483 44 HD12 ILE 5 1HD1 ILE 5 -6.313 -1.961 -5.092 45 HD13 ILE 5 2HD1 ILE 5 -7.035 -0.968 -3.829 46 H SER 6 H SER 6 -6.026 -3.510 1.464 47 HA SER 6 HA SER 6 -8.367 -4.837 2.526 48 HB2 SER 6 2HB SER 6 -5.915 -4.936 3.439 49 HB3 SER 6 1HB SER 6 -6.276 -3.356 4.117 50 HG SER 6 HG SER 6 -7.424 -4.300 5.652 51 HA PRO 7 HA PRO 7 -10.917 -1.218 2.674 52 HB2 PRO 7 2HB PRO 7 -11.467 -1.977 5.510 53 HB3 PRO 7 1HB PRO 7 -12.601 -1.577 4.209 54 HG2 PRO 7 2HG PRO 7 -12.259 -4.112 4.825 55 HG3 PRO 7 1HG PRO 7 -12.275 -3.625 3.121 56 HD2 PRO 7 2HD PRO 7 -9.925 -4.275 4.865 57 HD3 PRO 7 1HD PRO 7 -10.266 -4.764 3.188 58 H SER 8 H SER 8 -8.676 -1.563 5.355 59 HA SER 8 HA SER 8 -8.831 1.028 6.307 60 HB2 SER 8 2HB SER 8 -6.456 0.598 7.121 61 HB3 SER 8 1HB SER 8 -7.674 -0.575 7.614 62 HG SER 8 HG SER 8 -6.806 -2.049 6.466 63 H ALA 9 H ALA 9 -7.164 -0.176 3.462 64 HA ALA 9 HA ALA 9 -5.571 2.208 3.091 65 HB1 ALA 9 1HB ALA 9 -4.668 1.045 1.158 66 HB2 ALA 9 2HB ALA 9 -5.895 -0.212 1.322 67 HB3 ALA 9 3HB ALA 9 -4.669 -0.010 2.573 68 H PHE 10 H PHE 10 -8.682 1.943 2.745 69 HA PHE 10 HA PHE 10 -9.234 2.685 0.059 70 HB2 PHE 10 2HB PHE 10 -10.767 2.946 2.607 71 HB3 PHE 10 1HB PHE 10 -11.386 3.576 1.087 72 HD1 PHE 10 1HD PHE 10 -9.482 0.675 0.450 73 HD2 PHE 10 2HD PHE 10 -13.243 1.966 1.946 74 HE1 PHE 10 1HE PHE 10 -10.415 -1.522 -0.026 75 HE2 PHE 10 2HE PHE 10 -14.186 -0.242 1.470 76 HZ PHE 10 HZ PHE 10 -12.793 -1.983 0.488 77 H GLY 11 H GLY 11 -10.269 4.701 -0.550 78 HA2 GLY 11 2HA GLY 11 -10.460 7.007 -0.652 79 HA3 GLY 11 1HA GLY 11 -9.494 7.133 0.808 80 H LYS 12 H LYS 12 -7.301 5.601 -0.090 81 HA LYS 12 HA LYS 12 -6.170 7.335 -2.172 82 HB2 LYS 12 2HB LYS 12 -4.868 5.771 0.046 83 HB3 LYS 12 1HB LYS 12 -4.003 6.734 -1.156 84 HG2 LYS 12 2HG LYS 12 -4.993 8.749 -0.374 85 HG3 LYS 12 1HG LYS 12 -6.100 7.863 0.672 86 HD2 LYS 12 2HD LYS 12 -4.363 8.785 1.992 87 HD3 LYS 12 1HD LYS 12 -4.205 7.033 1.917 88 HE2 LYS 12 2HE LYS 12 -2.033 8.148 1.723 89 HE3 LYS 12 1HE LYS 12 -2.416 7.190 0.290 90 HZ1 LYS 12 3HZ LYS 12 -2.682 10.133 0.562 91 HZ2 LYS 12 1HZ LYS 12 -2.982 9.262 -0.860 92 HZ3 LYS 12 2HZ LYS 12 -1.425 9.342 -0.211 93 H LEU 13 H LEU 13 -7.732 4.768 -2.052 94 HA LEU 13 HA LEU 13 -6.306 2.580 -2.999 95 HB2 LEU 13 2HB LEU 13 -8.644 2.835 -2.015 96 HB3 LEU 13 1HB LEU 13 -9.145 3.405 -3.580 97 HG LEU 13 HG LEU 13 -8.023 0.659 -3.074 98 HD11 LEU 13 1HD1 LEU 13 -10.054 1.023 -1.804 99 HD12 LEU 13 2HD1 LEU 13 -10.370 -0.080 -3.151 100 HD13 LEU 13 3HD1 LEU 13 -10.874 1.615 -3.245 101 HD21 LEU 13 3HD2 LEU 13 -7.881 1.428 -5.400 102 HD22 LEU 13 1HD2 LEU 13 -9.602 1.800 -5.375 103 HD23 LEU 13 2HD2 LEU 13 -9.063 0.122 -5.234 104 H LYS 14 H LYS 14 -7.757 5.383 -4.489 105 HA LYS 14 HA LYS 14 -7.571 4.598 -7.172 106 HB2 LYS 14 2HB LYS 14 -9.091 6.305 -6.324 107 HB3 LYS 14 1HB LYS 14 -7.721 7.300 -5.872 108 HG2 LYS 14 2HG LYS 14 -7.214 7.818 -8.065 109 HG3 LYS 14 1HG LYS 14 -8.183 6.482 -8.697 110 HD2 LYS 14 2HD LYS 14 -9.348 8.617 -9.032 111 HD3 LYS 14 1HD LYS 14 -10.211 7.601 -7.875 112 HE2 LYS 14 2HE LYS 14 -9.151 8.863 -6.026 113 HE3 LYS 14 1HE LYS 14 -8.406 9.927 -7.219 114 HZ1 LYS 14 3HZ LYS 14 -10.437 10.824 -6.215 115 HZ2 LYS 14 1HZ LYS 14 -11.339 9.565 -6.858 116 HZ3 LYS 14 2HZ LYS 14 -10.592 10.676 -7.891 117 H GLU 15 H GLU 15 -5.463 6.411 -5.030 118 HA GLU 15 HA GLU 15 -3.489 7.116 -6.909 119 HB2 GLU 15 2HB GLU 15 -3.258 6.740 -3.929 120 HB3 GLU 15 1HB GLU 15 -1.968 7.375 -4.934 121 HG2 GLU 15 2HG GLU 15 -3.385 9.226 -5.584 122 HG3 GLU 15 1HG GLU 15 -4.684 8.609 -4.554 123 H ILE 16 H ILE 16 -3.579 4.387 -4.612 124 HA ILE 16 HA ILE 16 -1.119 3.320 -5.456 125 HB ILE 16 HB ILE 16 -1.804 1.159 -4.421 126 HG12 ILE 16 2HG1 ILE 16 -4.422 2.580 -3.888 127 HG13 ILE 16 1HG1 ILE 16 -4.204 1.231 -4.993 128 HG21 ILE 16 1HG2 ILE 16 -0.787 2.883 -3.060 129 HG22 ILE 16 2HG2 ILE 16 -2.004 2.006 -2.129 130 HG23 ILE 16 3HG2 ILE 16 -2.369 3.608 -2.769 131 HD11 ILE 16 3HD1 ILE 16 -3.629 -0.212 -3.116 132 HD12 ILE 16 1HD1 ILE 16 -5.218 0.518 -2.903 133 HD13 ILE 16 2HD1 ILE 16 -3.838 1.147 -2.005 134 H LEU 17 H LEU 17 -4.347 2.750 -6.637 135 HA LEU 17 HA LEU 17 -3.744 0.686 -8.448 136 HB2 LEU 17 2HB LEU 17 -5.985 1.152 -7.722 137 HB3 LEU 17 1HB LEU 17 -5.909 2.771 -8.369 138 HG LEU 17 HG LEU 17 -5.893 1.847 -10.649 139 HD11 LEU 17 1HD1 LEU 17 -4.856 -0.318 -10.196 140 HD12 LEU 17 2HD1 LEU 17 -6.404 -0.506 -11.018 141 HD13 LEU 17 3HD1 LEU 17 -6.284 -0.815 -9.287 142 HD21 LEU 17 3HD2 LEU 17 -8.223 1.077 -10.626 143 HD22 LEU 17 1HD2 LEU 17 -7.971 2.509 -9.627 144 HD23 LEU 17 2HD2 LEU 17 -8.131 0.923 -8.874 145 H GLY 18 H GLY 18 -3.950 4.216 -8.870 146 HA2 GLY 18 2HA GLY 18 -3.362 4.093 -11.679 147 HA3 GLY 18 1HA GLY 18 -3.520 5.534 -10.694 148 H SER 19 H SER 19 -1.422 4.718 -8.822 149 HA SER 19 HA SER 19 0.723 5.717 -10.471 150 HB2 SER 19 2HB SER 19 0.233 6.720 -8.245 151 HB3 SER 19 1HB SER 19 0.692 5.197 -7.490 152 HG SER 19 HG SER 19 2.229 7.170 -8.658 153 H ASN 20 H ASN 20 -0.057 2.721 -8.765 154 HA ASN 20 HA ASN 20 2.658 1.817 -9.135 155 HB2 ASN 20 2HB ASN 20 1.423 1.347 -7.043 156 HB3 ASN 20 1HB ASN 20 0.333 0.316 -7.957 157 HD21 ASN 20 1HD2 ASN 20 3.537 0.706 -6.761 158 HD22 ASN 20 2HD2 ASN 20 4.033 -0.941 -6.899 159 H LYS 21 H LYS 21 -0.582 0.686 -10.162 160 HA LYS 21 HA LYS 21 -1.281 -0.589 -11.928 161 HB2 LYS 21 2HB LYS 21 1.324 0.284 -13.192 162 HB3 LYS 21 1HB LYS 21 -0.006 -0.452 -14.045 163 HG2 LYS 21 2HG LYS 21 -1.379 1.525 -13.596 164 HG3 LYS 21 1HG LYS 21 -0.025 2.255 -12.718 165 HD2 LYS 21 2HD LYS 21 1.357 2.123 -14.725 166 HD3 LYS 21 1HD LYS 21 0.030 1.386 -15.610 167 HE2 LYS 21 2HE LYS 21 0.185 3.707 -16.185 168 HE3 LYS 21 1HE LYS 21 -1.283 3.444 -15.249 169 HZ1 LYS 21 3HZ LYS 21 1.262 4.548 -14.155 170 HZ2 LYS 21 1HZ LYS 21 -0.186 4.372 -13.302 171 HZ3 LYS 21 2HZ LYS 21 -0.095 5.445 -14.571 172 H ASN 22 H ASN 22 -0.369 -2.362 -13.576 173 HA ASN 22 HA ASN 22 0.759 -4.236 -14.152 174 HB2 ASN 22 2HB ASN 22 2.800 -2.890 -13.722 175 HB3 ASN 22 1HB ASN 22 2.783 -3.436 -12.056 176 HD21 ASN 22 1HD2 ASN 22 4.817 -4.303 -12.237 177 HD22 ASN 22 2HD2 ASN 22 5.154 -5.745 -13.099 178 H TYR 23 H TYR 23 -0.368 -3.845 -10.984 179 HA TYR 23 HA TYR 23 -0.203 -6.734 -10.503 180 HB2 TYR 23 2HB TYR 23 -0.824 -4.442 -8.652 181 HB3 TYR 23 1HB TYR 23 -1.194 -6.104 -8.230 182 HD1 TYR 23 1HD TYR 23 0.750 -7.759 -8.230 183 HD2 TYR 23 2HD TYR 23 1.269 -3.550 -8.206 184 HE1 TYR 23 1HE TYR 23 3.003 -8.053 -7.324 185 HE2 TYR 23 2HE TYR 23 3.539 -3.822 -7.300 186 HH TYR 23 HH TYR 23 4.793 -5.515 -6.024 187 H LYS 24 H LYS 24 -2.062 -7.882 -9.947 188 HA LYS 24 HA LYS 24 -4.471 -6.717 -11.048 189 HB2 LYS 24 2HB LYS 24 -3.879 -9.030 -11.707 190 HB3 LYS 24 1HB LYS 24 -3.926 -9.523 -10.023 191 HG2 LYS 24 2HG LYS 24 -5.946 -10.297 -10.854 192 HG3 LYS 24 1HG LYS 24 -6.398 -8.777 -10.104 193 HD2 LYS 24 2HD LYS 24 -5.909 -9.181 -13.070 194 HD3 LYS 24 1HD LYS 24 -7.489 -9.190 -12.304 195 HE2 LYS 24 2HE LYS 24 -7.055 -6.804 -11.597 196 HE3 LYS 24 1HE LYS 24 -5.573 -6.876 -12.552 197 HZ1 LYS 24 3HZ LYS 24 -7.367 -5.870 -13.788 198 HZ2 LYS 24 1HZ LYS 24 -8.294 -7.270 -13.633 199 HZ3 LYS 24 2HZ LYS 24 -6.874 -7.310 -14.517 200 H PHE 25 H PHE 25 -5.205 -5.332 -9.630 201 HA PHE 25 HA PHE 25 -5.023 -5.749 -6.829 202 HB2 PHE 25 2HB PHE 25 -6.424 -3.645 -8.462 203 HB3 PHE 25 1HB PHE 25 -6.359 -3.618 -6.701 204 HD1 PHE 25 2HD PHE 25 -4.458 -3.195 -9.812 205 HD2 PHE 25 1HD PHE 25 -4.293 -3.031 -5.566 206 HE1 PHE 25 2HE PHE 25 -2.315 -1.995 -9.948 207 HE2 PHE 25 1HE PHE 25 -2.151 -1.829 -5.698 208 HZ PHE 25 HZ PHE 25 -1.160 -1.311 -7.888 209 H VAL 26 H VAL 26 -6.403 -6.546 -5.502 210 HA VAL 26 HA VAL 26 -9.030 -7.443 -6.489 211 HB VAL 26 HB VAL 26 -7.300 -8.771 -4.396 212 HG11 VAL 26 1HG1 VAL 26 -9.808 -9.738 -5.757 213 HG12 VAL 26 2HG1 VAL 26 -9.654 -9.225 -4.078 214 HG13 VAL 26 3HG1 VAL 26 -8.826 -10.681 -4.636 215 HG21 VAL 26 3HG2 VAL 26 -6.861 -10.549 -6.044 216 HG22 VAL 26 1HG2 VAL 26 -6.196 -8.991 -6.535 217 HG23 VAL 26 2HG2 VAL 26 -7.683 -9.582 -7.271 218 H ILE 27 H ILE 27 -10.706 -6.968 -5.195 219 HA ILE 27 HA ILE 27 -10.160 -5.872 -2.548 220 HB ILE 27 HB ILE 27 -10.773 -4.047 -4.150 221 HG12 ILE 27 2HG1 ILE 27 -12.605 -3.045 -2.847 222 HG13 ILE 27 1HG1 ILE 27 -12.920 -4.607 -2.097 223 HG21 ILE 27 1HG2 ILE 27 -12.151 -5.339 -5.683 224 HG22 ILE 27 2HG2 ILE 27 -13.015 -3.916 -5.086 225 HG23 ILE 27 3HG2 ILE 27 -13.377 -5.509 -4.423 226 HD11 ILE 27 3HD1 ILE 27 -10.695 -4.559 -1.088 227 HD12 ILE 27 1HD1 ILE 27 -11.659 -3.160 -0.634 228 HD13 ILE 27 2HD1 ILE 27 -10.395 -2.995 -1.850 229 H THR 28 H THR 28 -11.910 -6.331 -1.015 230 HA THR 28 HA THR 28 -13.119 -8.877 -1.636 231 HB THR 28 HB THR 28 -13.592 -8.897 0.827 232 HG1 THR 28 1HG THR 28 -12.046 -7.106 1.766 233 HG21 THR 28 3HG2 THR 28 -10.732 -8.324 0.026 234 HG22 THR 28 1HG2 THR 28 -11.537 -9.889 -0.087 235 HG23 THR 28 2HG2 THR 28 -11.241 -9.158 1.493 236 H THR 29 H THR 29 -15.411 -9.237 -0.665 237 HA THR 29 HA THR 29 -17.238 -7.490 -1.903 238 HB THR 29 HB THR 29 -18.902 -8.904 -0.586 239 HG1 THR 29 1HG THR 29 -18.045 -10.573 0.616 240 HG21 THR 29 3HG2 THR 29 -16.818 -10.339 -2.249 241 HG22 THR 29 1HG2 THR 29 -18.219 -9.480 -2.887 242 HG23 THR 29 2HG2 THR 29 -18.442 -10.933 -1.910 243 H LEU 30 H LEU 30 -16.291 -8.124 1.414 244 HA LEU 30 HA LEU 30 -17.947 -6.224 2.650 245 HB2 LEU 30 2HB LEU 30 -15.248 -7.249 3.548 246 HB3 LEU 30 1HB LEU 30 -16.383 -6.375 4.557 247 HG LEU 30 HG LEU 30 -16.790 -9.130 3.384 248 HD11 LEU 30 1HD1 LEU 30 -16.742 -9.856 5.725 249 HD12 LEU 30 2HD1 LEU 30 -16.352 -8.207 6.216 250 HD13 LEU 30 3HD1 LEU 30 -15.224 -9.123 5.216 251 HD21 LEU 30 3HD2 LEU 30 -18.914 -7.933 3.481 252 HD22 LEU 30 1HD2 LEU 30 -18.604 -7.495 5.161 253 HD23 LEU 30 2HD2 LEU 30 -18.850 -9.182 4.723 254 H GLY 31 H GLY 31 -14.789 -6.034 1.153 255 HA2 GLY 31 2HA GLY 31 -14.071 -3.433 1.871 256 HA3 GLY 31 1HA GLY 31 -13.563 -4.286 0.412 257 H VAL 32 H VAL 32 -15.607 -4.530 -1.169 258 HA VAL 32 HA VAL 32 -16.021 -1.921 -2.095 259 HB VAL 32 HB VAL 32 -17.640 -2.796 -3.744 260 HG11 VAL 32 1HG1 VAL 32 -15.302 -2.886 -4.258 261 HG12 VAL 32 2HG1 VAL 32 -16.123 -4.301 -4.923 262 HG13 VAL 32 3HG1 VAL 32 -15.157 -4.447 -3.455 263 HG21 VAL 32 3HG2 VAL 32 -18.084 -5.219 -3.893 264 HG22 VAL 32 1HG2 VAL 32 -18.759 -4.506 -2.424 265 HG23 VAL 32 2HG2 VAL 32 -17.267 -5.436 -2.340 266 H SER 33 H SER 33 -18.121 -3.926 -0.139 267 HA SER 33 HA SER 33 -20.373 -2.248 -0.323 268 HB2 SER 33 2HB SER 33 -19.596 -4.159 1.891 269 HB3 SER 33 1HB SER 33 -21.214 -3.511 1.599 270 HG SER 33 HG SER 33 -19.725 -5.372 0.114 271 H PHE 34 H PHE 34 -17.592 -2.278 1.832 272 HA PHE 34 HA PHE 34 -18.533 -0.321 3.652 273 HB2 PHE 34 2HB PHE 34 -16.717 -1.952 4.130 274 HB3 PHE 34 1HB PHE 34 -15.715 -1.176 2.925 275 HD1 PHE 34 2HD PHE 34 -17.449 -0.556 6.143 276 HD2 PHE 34 1HD PHE 34 -14.267 0.540 3.545 277 HE1 PHE 34 2HE PHE 34 -16.505 0.878 7.905 278 HE2 PHE 34 1HE PHE 34 -13.320 1.973 5.296 279 HZ PHE 34 HZ PHE 34 -14.438 2.142 7.482 280 H ALA 35 H ALA 35 -16.632 -0.257 0.713 281 HA ALA 35 HA ALA 35 -16.019 2.485 0.750 282 HB1 ALA 35 1HB ALA 35 -15.368 2.196 -1.573 283 HB2 ALA 35 2HB ALA 35 -16.188 0.636 -1.620 284 HB3 ALA 35 3HB ALA 35 -14.776 0.857 -0.588 285 H ILE 36 H ILE 36 -18.660 0.677 -0.775 286 HA ILE 36 HA ILE 36 -19.837 2.755 -2.228 287 HB ILE 36 HB ILE 36 -21.208 0.396 -0.900 288 HG12 ILE 36 2HG1 ILE 36 -19.543 -0.271 -2.583 289 HG13 ILE 36 1HG1 ILE 36 -21.171 -0.658 -3.109 290 HG21 ILE 36 1HG2 ILE 36 -23.084 0.752 -2.455 291 HG22 ILE 36 2HG2 ILE 36 -22.324 2.244 -3.006 292 HG23 ILE 36 3HG2 ILE 36 -22.866 2.097 -1.335 293 HD11 ILE 36 3HD1 ILE 36 -21.149 1.320 -4.559 294 HD12 ILE 36 1HD1 ILE 36 -19.846 0.191 -4.937 295 HD13 ILE 36 2HD1 ILE 36 -19.499 1.667 -4.037 296 H LYS 37 H LYS 37 -20.758 1.635 1.016 297 HA LYS 37 HA LYS 37 -22.710 3.633 1.389 298 HB2 LYS 37 2HB LYS 37 -22.699 2.971 3.784 299 HB3 LYS 37 1HB LYS 37 -22.910 1.637 2.664 300 HG2 LYS 37 2HG LYS 37 -20.594 0.978 2.978 301 HG3 LYS 37 1HG LYS 37 -20.320 2.363 4.028 302 HD2 LYS 37 2HD LYS 37 -20.649 0.300 5.305 303 HD3 LYS 37 1HD LYS 37 -21.902 1.488 5.646 304 HE2 LYS 37 2HE LYS 37 -22.860 -0.758 5.427 305 HE3 LYS 37 1HE LYS 37 -23.448 0.298 4.157 306 HZ1 LYS 37 3HZ LYS 37 -22.874 -1.893 3.346 307 HZ2 LYS 37 1HZ LYS 37 -21.288 -1.708 3.874 308 HZ3 LYS 37 2HZ LYS 37 -21.887 -0.732 2.624 309 H SER 38 H SER 38 -19.307 3.764 1.890 310 HA SER 38 HA SER 38 -19.627 6.106 3.572 311 HB2 SER 38 2HB SER 38 -17.976 4.341 4.181 312 HB3 SER 38 1HB SER 38 -17.068 4.714 2.722 313 HG SER 38 HG SER 38 -17.703 6.630 4.686 314 H GLY 39 H GLY 39 -19.478 5.495 0.282 315 HA2 GLY 39 2HA GLY 39 -19.413 6.992 -1.483 316 HA3 GLY 39 1HA GLY 39 -19.123 8.283 -0.326 317 H ILE 40 H ILE 40 -17.222 5.396 -0.638 318 HA ILE 40 HA ILE 40 -14.862 7.018 -1.091 319 HB ILE 40 HB ILE 40 -15.221 4.086 -0.409 320 HG12 ILE 40 2HG1 ILE 40 -14.179 6.398 1.237 321 HG13 ILE 40 1HG1 ILE 40 -15.780 5.698 1.376 322 HG21 ILE 40 1HG2 ILE 40 -12.615 5.615 -0.574 323 HG22 ILE 40 2HG2 ILE 40 -13.188 4.459 -1.769 324 HG23 ILE 40 3HG2 ILE 40 -12.828 3.914 -0.135 325 HD11 ILE 40 3HD1 ILE 40 -14.311 4.934 3.151 326 HD12 ILE 40 1HD1 ILE 40 -13.174 4.302 1.960 327 HD13 ILE 40 2HD1 ILE 40 -14.780 3.587 2.116 328 H ASP 41 H ASP 41 -13.576 6.808 -2.859 329 HA ASP 41 HA ASP 41 -14.644 6.206 -5.372 330 HB2 ASP 41 2HB ASP 41 -11.791 6.587 -4.460 331 HB3 ASP 41 1HB ASP 41 -12.194 6.267 -6.137 332 H ILE 42 H ILE 42 -15.422 4.178 -5.477 333 HA ILE 42 HA ILE 42 -13.394 2.043 -5.556 334 HB ILE 42 HB ILE 42 -14.845 1.724 -3.602 335 HG12 ILE 42 2HG1 ILE 42 -15.673 -0.597 -4.075 336 HG13 ILE 42 1HG1 ILE 42 -15.321 -0.325 -5.776 337 HG21 ILE 42 1HG2 ILE 42 -17.228 1.201 -3.826 338 HG22 ILE 42 2HG2 ILE 42 -17.142 1.597 -5.542 339 HG23 ILE 42 3HG2 ILE 42 -16.843 2.845 -4.334 340 HD11 ILE 42 3HD1 ILE 42 -13.310 -0.312 -3.535 341 HD12 ILE 42 1HD1 ILE 42 -12.947 -0.042 -5.240 342 HD13 ILE 42 2HD1 ILE 42 -13.558 -1.606 -4.707 343 H ASP 43 H ASP 43 -16.179 3.505 -7.026 344 HA ASP 43 HA ASP 43 -16.784 1.543 -8.956 345 HB2 ASP 43 2HB ASP 43 -17.148 4.542 -9.084 346 HB3 ASP 43 1HB ASP 43 -17.853 3.404 -10.225 347 H SER 44 H SER 44 -14.616 4.291 -8.928 348 HA SER 44 HA SER 44 -13.704 4.131 -11.573 349 HB2 SER 44 2HB SER 44 -12.183 5.151 -9.178 350 HB3 SER 44 1HB SER 44 -12.062 5.702 -10.852 351 HG SER 44 HG SER 44 -14.440 6.198 -10.526 352 H ALA 45 H ALA 45 -12.818 2.472 -8.618 353 HA ALA 45 HA ALA 45 -10.322 1.452 -9.497 354 HB1 ALA 45 1HB ALA 45 -10.497 -0.029 -7.525 355 HB2 ALA 45 2HB ALA 45 -12.180 0.444 -7.324 356 HB3 ALA 45 3HB ALA 45 -10.904 1.630 -7.101 357 H LEU 46 H LEU 46 -13.559 0.070 -9.202 358 HA LEU 46 HA LEU 46 -13.043 -2.425 -10.395 359 HB2 LEU 46 2HB LEU 46 -15.591 -0.816 -10.366 360 HB3 LEU 46 1HB LEU 46 -15.487 -2.518 -10.751 361 HG LEU 46 HG LEU 46 -14.880 -1.254 -8.071 362 HD11 LEU 46 1HD1 LEU 46 -17.246 -1.265 -8.577 363 HD12 LEU 46 2HD1 LEU 46 -16.870 -2.425 -7.303 364 HD13 LEU 46 3HD1 LEU 46 -17.173 -2.990 -8.947 365 HD21 LEU 46 3HD2 LEU 46 -14.862 -4.168 -8.891 366 HD22 LEU 46 1HD2 LEU 46 -14.715 -3.565 -7.240 367 HD23 LEU 46 2HD2 LEU 46 -13.466 -3.203 -8.427 368 H ASP 47 H ASP 47 -14.026 0.631 -11.694 369 HA ASP 47 HA ASP 47 -14.481 0.152 -14.377 370 HB2 ASP 47 2HB ASP 47 -14.839 2.331 -13.434 371 HB3 ASP 47 1HB ASP 47 -13.141 2.480 -13.020 372 H ARG 48 H ARG 48 -11.369 0.713 -12.800 373 HA ARG 48 HA ARG 48 -9.952 0.464 -15.286 374 HB2 ARG 48 2HB ARG 48 -8.912 0.758 -12.490 375 HB3 ARG 48 1HB ARG 48 -7.934 0.841 -13.950 376 HG2 ARG 48 2HG ARG 48 -9.189 2.796 -14.694 377 HG3 ARG 48 1HG ARG 48 -10.186 2.700 -13.238 378 HD2 ARG 48 2HD ARG 48 -8.119 2.902 -11.913 379 HD3 ARG 48 1HD ARG 48 -7.236 3.214 -13.406 380 HE ARG 48 HE ARG 48 -9.361 4.976 -13.323 381 HH11 ARG 48 1HH1 ARG 48 -6.420 4.360 -11.469 382 HH12 ARG 48 2HH1 ARG 48 -6.238 5.967 -10.920 383 HH21 ARG 48 1HH2 ARG 48 -9.104 7.205 -12.609 384 HH22 ARG 48 2HH2 ARG 48 -7.801 7.626 -11.599 385 H GLY 49 H GLY 49 -11.082 -1.747 -13.034 386 HA2 GLY 49 2HA GLY 49 -10.909 -4.043 -13.939 387 HA3 GLY 49 1HA GLY 49 -9.208 -3.720 -14.187 388 H VAL 50 H VAL 50 -10.512 -2.585 -11.191 389 HA VAL 50 HA VAL 50 -9.033 -4.576 -9.771 390 HB VAL 50 HB VAL 50 -11.033 -2.509 -8.739 391 HG11 VAL 50 1HG1 VAL 50 -10.150 -2.968 -6.499 392 HG12 VAL 50 2HG1 VAL 50 -9.130 -4.247 -7.155 393 HG13 VAL 50 3HG1 VAL 50 -10.885 -4.413 -7.192 394 HG21 VAL 50 3HG2 VAL 50 -8.988 -1.370 -7.905 395 HG22 VAL 50 1HG2 VAL 50 -9.059 -1.488 -9.665 396 HG23 VAL 50 2HG2 VAL 50 -8.026 -2.575 -8.752 397 H ILE 51 H ILE 51 -9.752 -6.446 -8.895 398 HA ILE 51 HA ILE 51 -12.467 -7.155 -9.707 399 HB ILE 51 HB ILE 51 -11.763 -9.520 -9.658 400 HG12 ILE 51 2HG1 ILE 51 -8.981 -8.410 -9.164 401 HG13 ILE 51 1HG1 ILE 51 -9.935 -9.322 -8.004 402 HG21 ILE 51 1HG2 ILE 51 -10.063 -7.734 -11.385 403 HG22 ILE 51 2HG2 ILE 51 -11.703 -8.286 -11.730 404 HG23 ILE 51 3HG2 ILE 51 -10.374 -9.447 -11.679 405 HD11 ILE 51 3HD1 ILE 51 -9.852 -11.278 -9.494 406 HD12 ILE 51 1HD1 ILE 51 -8.242 -10.728 -9.030 407 HD13 ILE 51 2HD1 ILE 51 -8.875 -10.347 -10.628 408 H VAL 52 H VAL 52 -13.827 -8.274 -8.385 409 HA VAL 52 HA VAL 52 -13.303 -7.812 -5.547 410 HB VAL 52 HB VAL 52 -15.903 -8.652 -6.862 411 HG11 VAL 52 1HG1 VAL 52 -15.350 -7.487 -4.137 412 HG12 VAL 52 2HG1 VAL 52 -15.804 -9.153 -4.492 413 HG13 VAL 52 3HG1 VAL 52 -16.948 -7.843 -4.794 414 HG21 VAL 52 3HG2 VAL 52 -14.993 -5.871 -6.123 415 HG22 VAL 52 1HG2 VAL 52 -16.615 -6.303 -6.664 416 HG23 VAL 52 2HG2 VAL 52 -15.239 -6.490 -7.754 417 H ARG 53 H ARG 53 -12.942 -9.477 -4.192 418 HA ARG 53 HA ARG 53 -13.998 -12.101 -4.790 419 HB2 ARG 53 2HB ARG 53 -11.744 -11.962 -5.908 420 HB3 ARG 53 1HB ARG 53 -11.056 -11.786 -4.303 421 HG2 ARG 53 2HG ARG 53 -11.862 -13.941 -3.637 422 HG3 ARG 53 1HG ARG 53 -12.742 -14.125 -5.157 423 HD2 ARG 53 2HD ARG 53 -9.791 -13.869 -4.815 424 HD3 ARG 53 1HD ARG 53 -10.654 -15.374 -5.196 425 HE ARG 53 HE ARG 53 -11.096 -13.192 -7.022 426 HH11 ARG 53 1HH1 ARG 53 -9.187 -16.128 -6.455 427 HH12 ARG 53 2HH1 ARG 53 -8.586 -16.176 -8.046 428 HH21 ARG 53 1HH2 ARG 53 -10.295 -13.299 -9.162 429 HH22 ARG 53 2HH2 ARG 53 -9.234 -14.554 -9.623 430 H ALA 54 H ALA 54 -14.413 -13.203 -3.008 431 HA ALA 54 HA ALA 54 -13.204 -12.598 -0.477 432 HB1 ALA 54 1HB ALA 54 -16.162 -12.270 -0.962 433 HB2 ALA 54 2HB ALA 54 -15.019 -10.996 -0.529 434 HB3 ALA 54 3HB ALA 54 -15.381 -12.284 0.619 435 H PHE 55 H PHE 55 -13.832 -14.227 1.054 436 HA PHE 55 HA PHE 55 -13.940 -16.776 -0.217 437 HB2 PHE 55 2HB PHE 55 -13.647 -15.821 2.543 438 HB3 PHE 55 1HB PHE 55 -14.277 -17.446 2.317 439 HD1 PHE 55 2HD PHE 55 -12.966 -19.151 1.297 440 HD2 PHE 55 1HD PHE 55 -11.397 -15.268 1.988 441 HE1 PHE 55 2HE PHE 55 -10.733 -20.046 1.020 442 HE2 PHE 55 1HE PHE 55 -9.132 -16.120 1.713 443 HZ PHE 55 HZ PHE 55 -8.766 -18.531 1.225 444 H SER 56 H SER 56 -15.456 -18.295 -0.255 445 HA SER 56 HA SER 56 -18.164 -17.640 0.181 446 HB2 SER 56 2HB SER 56 -16.869 -20.361 -0.090 447 HB3 SER 56 1HB SER 56 -18.547 -19.945 -0.445 448 HG SER 56 HG SER 56 -17.830 -18.627 -2.117 449 H HIS 57 H HIS 57 -15.618 -19.412 1.923 450 HA HIS 57 HA HIS 57 -16.698 -18.752 4.411 451 HB2 HIS 57 2HB HIS 57 -17.013 -21.145 5.273 452 HB3 HIS 57 1HB HIS 57 -18.282 -20.492 4.255 453 HD1 HIS 57 1HD HIS 57 -19.162 -22.250 2.773 454 HD2 HIS 57 2HD HIS 57 -15.080 -22.732 3.356 455 HE1 HIS 57 1HE HIS 57 -18.526 -24.283 1.474 456 HE2 HIS 57 2HE HIS 57 -16.042 -24.302 1.575 457 H LYS 58 H LYS 58 -14.779 -18.011 5.076 458 HA LYS 58 HA LYS 58 -12.870 -20.096 5.781 459 HB2 LYS 58 2HB LYS 58 -12.191 -18.511 3.746 460 HB3 LYS 58 1HB LYS 58 -11.854 -17.376 5.036 461 HG2 LYS 58 2HG LYS 58 -10.604 -20.109 4.761 462 HG3 LYS 58 1HG LYS 58 -9.858 -18.598 4.264 463 HD2 LYS 58 2HD LYS 58 -9.825 -17.836 6.569 464 HD3 LYS 58 1HD LYS 58 -10.670 -19.296 7.086 465 HE2 LYS 58 2HE LYS 58 -7.951 -19.231 5.770 466 HE3 LYS 58 1HE LYS 58 -8.234 -19.408 7.499 467 HZ1 LYS 58 3HZ LYS 58 -7.866 -21.555 6.477 468 HZ2 LYS 58 1HZ LYS 58 -9.142 -21.322 5.400 469 HZ3 LYS 58 2HZ LYS 58 -9.433 -21.462 7.046 470 HA PRO 59 HA PRO 59 -13.817 -17.543 9.334 471 HB2 PRO 59 2HB PRO 59 -13.328 -19.379 11.266 472 HB3 PRO 59 1HB PRO 59 -14.826 -19.359 10.336 473 HG2 PRO 59 2HG PRO 59 -12.500 -21.182 10.125 474 HG3 PRO 59 1HG PRO 59 -14.201 -21.490 9.765 475 HD2 PRO 59 2HD PRO 59 -12.158 -20.919 7.900 476 HD3 PRO 59 1HD PRO 59 -13.897 -20.959 7.572 477 HA PRO 60 HA PRO 60 -9.463 -16.760 10.281 478 HB2 PRO 60 2HB PRO 60 -9.764 -14.100 10.705 479 HB3 PRO 60 1HB PRO 60 -9.645 -14.790 9.087 480 HG2 PRO 60 2HG PRO 60 -11.979 -13.643 10.454 481 HG3 PRO 60 1HG PRO 60 -11.714 -13.918 8.726 482 HD2 PRO 60 2HD PRO 60 -13.235 -15.529 10.577 483 HD3 PRO 60 1HD PRO 60 -12.990 -15.761 8.832 484 H LYS 61 H LYS 61 -8.614 -16.995 12.325 485 HA LYS 61 HA LYS 61 -10.452 -16.585 14.524 486 HB2 LYS 61 2HB LYS 61 -7.598 -17.564 14.457 487 HB3 LYS 61 1HB LYS 61 -8.603 -17.517 15.908 488 HG2 LYS 61 2HG LYS 61 -10.157 -19.068 14.882 489 HG3 LYS 61 1HG LYS 61 -9.182 -19.088 13.418 490 HD2 LYS 61 2HD LYS 61 -7.325 -20.068 14.657 491 HD3 LYS 61 1HD LYS 61 -8.282 -20.021 16.143 492 HE2 LYS 61 2HE LYS 61 -9.940 -21.486 15.142 493 HE3 LYS 61 1HE LYS 61 -9.031 -21.499 13.636 494 HZ1 LYS 61 3HZ LYS 61 -8.106 -22.594 16.235 495 HZ2 LYS 61 1HZ LYS 61 -7.224 -22.612 14.786 496 HZ3 LYS 61 2HZ LYS 61 -8.672 -23.471 14.910 497 H VAL 62 H VAL 62 -10.720 -14.588 15.110 498 HA VAL 62 HA VAL 62 -8.435 -12.944 15.717 499 HB VAL 62 HB VAL 62 -9.481 -10.942 14.611 500 HG11 VAL 62 1HG1 VAL 62 -8.751 -11.436 12.317 501 HG12 VAL 62 2HG1 VAL 62 -8.675 -13.152 12.726 502 HG13 VAL 62 3HG1 VAL 62 -7.598 -12.007 13.523 503 HG21 VAL 62 3HG2 VAL 62 -11.766 -11.760 14.373 504 HG22 VAL 62 1HG2 VAL 62 -11.222 -12.992 13.232 505 HG23 VAL 62 2HG2 VAL 62 -11.119 -11.284 12.802 506 H GLY 63 H GLY 63 -8.831 -11.482 17.226 507 HA2 GLY 63 2HA GLY 63 -11.522 -10.910 18.156 508 HA3 GLY 63 1HA GLY 63 -10.391 -11.621 19.322 509 H ASN 64 H ASN 64 -9.783 -9.518 16.670 510 HA ASN 64 HA ASN 64 -8.969 -7.268 18.286 511 HB2 ASN 64 2HB ASN 64 -7.019 -8.624 18.623 512 HB3 ASN 64 1HB ASN 64 -6.975 -9.074 16.926 513 HD21 ASN 64 1HD2 ASN 64 -4.917 -8.407 16.613 514 HD22 ASN 64 2HD2 ASN 64 -4.483 -6.747 16.537 515 H LEU 65 H LEU 65 -8.354 -8.836 15.134 516 HA LEU 65 HA LEU 65 -8.453 -6.297 13.810 517 HB2 LEU 65 2HB LEU 65 -8.215 -9.082 12.702 518 HB3 LEU 65 1HB LEU 65 -8.020 -7.606 11.782 519 HG LEU 65 HG LEU 65 -6.218 -8.606 13.980 520 HD11 LEU 65 1HD1 LEU 65 -5.817 -8.282 11.022 521 HD12 LEU 65 2HD1 LEU 65 -5.977 -9.803 11.904 522 HD13 LEU 65 3HD1 LEU 65 -4.582 -8.757 12.184 523 HD21 LEU 65 3HD2 LEU 65 -6.038 -6.073 12.341 524 HD22 LEU 65 1HD2 LEU 65 -4.783 -6.686 13.417 525 HD23 LEU 65 2HD2 LEU 65 -6.334 -6.180 14.076 526 HA PRO 66 HA PRO 66 -12.802 -6.488 12.788 527 HB2 PRO 66 2HB PRO 66 -12.029 -5.047 10.315 528 HB3 PRO 66 1HB PRO 66 -13.157 -4.557 11.583 529 HG2 PRO 66 2HG PRO 66 -10.784 -3.373 11.324 530 HG3 PRO 66 1HG PRO 66 -11.480 -3.691 12.925 531 HD2 PRO 66 2HD PRO 66 -9.334 -5.176 11.463 532 HD3 PRO 66 1HD PRO 66 -9.451 -4.739 13.184 533 H GLN 67 H GLN 67 -14.085 -7.711 11.417 534 HA GLN 67 HA GLN 67 -12.834 -9.824 10.082 535 HB2 GLN 67 2HB GLN 67 -15.071 -10.034 11.078 536 HB3 GLN 67 1HB GLN 67 -15.708 -8.933 9.863 537 HG2 GLN 67 2HG GLN 67 -15.146 -10.520 8.106 538 HG3 GLN 67 1HG GLN 67 -14.481 -11.623 9.309 539 HE21 GLN 67 1HE2 GLN 67 -17.366 -10.259 7.961 540 HE22 GLN 67 2HE2 GLN 67 -18.448 -11.369 8.703 541 H TYR 68 H TYR 68 -14.131 -6.763 8.878 542 HA TYR 68 HA TYR 68 -13.923 -7.583 6.203 543 HB2 TYR 68 2HB TYR 68 -14.036 -5.146 5.529 544 HB3 TYR 68 1HB TYR 68 -15.354 -5.731 6.513 545 HD1 TYR 68 2HD TYR 68 -12.107 -3.896 6.853 546 HD2 TYR 68 1HD TYR 68 -16.071 -4.411 8.283 547 HE1 TYR 68 2HE TYR 68 -11.825 -1.948 8.306 548 HE2 TYR 68 1HE TYR 68 -15.805 -2.450 9.742 549 HH TYR 68 HH TYR 68 -13.912 -1.198 10.813 550 H GLU 69 H GLU 69 -11.495 -6.184 8.278 551 HA GLU 69 HA GLU 69 -9.521 -5.918 6.220 552 HB2 GLU 69 2HB GLU 69 -9.162 -6.329 9.203 553 HB3 GLU 69 1HB GLU 69 -7.898 -5.852 8.093 554 HG2 GLU 69 2HG GLU 69 -10.342 -4.220 8.748 555 HG3 GLU 69 1HG GLU 69 -8.758 -4.001 9.473 556 H SER 70 H SER 70 -10.484 -8.385 8.520 557 HA SER 70 HA SER 70 -8.439 -10.236 8.062 558 HB2 SER 70 2HB SER 70 -11.282 -10.769 8.941 559 HB3 SER 70 1HB SER 70 -9.917 -11.867 9.142 560 HG SER 70 HG SER 70 -10.312 -9.332 10.365 561 H GLU 71 H GLU 71 -11.556 -9.813 6.418 562 HA GLU 71 HA GLU 71 -11.551 -12.062 4.731 563 HB2 GLU 71 2HB GLU 71 -13.423 -10.440 5.068 564 HB3 GLU 71 1HB GLU 71 -12.518 -9.247 4.157 565 HG2 GLU 71 2HG GLU 71 -14.204 -10.153 2.760 566 HG3 GLU 71 1HG GLU 71 -12.653 -10.749 2.172 567 H ALA 72 H ALA 72 -10.130 -8.837 4.342 568 HA ALA 72 HA ALA 72 -9.056 -9.285 1.774 569 HB1 ALA 72 1HB ALA 72 -9.359 -7.045 2.724 570 HB2 ALA 72 2HB ALA 72 -7.695 -7.300 2.196 571 HB3 ALA 72 3HB ALA 72 -8.098 -7.379 3.910 572 H ILE 73 H ILE 73 -7.689 -9.677 5.011 573 HA ILE 73 HA ILE 73 -5.094 -10.472 4.282 574 HB ILE 73 HB ILE 73 -6.671 -11.487 6.677 575 HG12 ILE 73 2HG1 ILE 73 -4.779 -9.129 6.490 576 HG13 ILE 73 1HG1 ILE 73 -6.530 -9.018 6.632 577 HG21 ILE 73 1HG2 ILE 73 -4.697 -12.852 6.236 578 HG22 ILE 73 2HG2 ILE 73 -4.465 -11.894 7.701 579 HG23 ILE 73 3HG2 ILE 73 -3.690 -11.402 6.200 580 HD11 ILE 73 3HD1 ILE 73 -6.408 -10.095 8.830 581 HD12 ILE 73 1HD1 ILE 73 -5.442 -8.622 8.776 582 HD13 ILE 73 2HD1 ILE 73 -4.656 -10.192 8.673 583 H MET 74 H MET 74 -8.022 -12.385 4.783 584 HA MET 74 HA MET 74 -6.829 -14.916 4.361 585 HB2 MET 74 2HB MET 74 -9.711 -14.108 3.995 586 HB3 MET 74 1HB MET 74 -9.125 -15.757 4.022 587 HG2 MET 74 2HG MET 74 -8.967 -13.826 6.340 588 HG3 MET 74 1HG MET 74 -10.231 -15.017 6.118 589 HE1 MET 74 3HE MET 74 -5.948 -15.836 7.657 590 HE2 MET 74 1HE MET 74 -6.635 -14.253 7.359 591 HE3 MET 74 2HE MET 74 -6.052 -15.258 6.013 592 H VAL 75 H VAL 75 -8.523 -12.779 2.102 593 HA VAL 75 HA VAL 75 -8.269 -14.528 -0.093 594 HB VAL 75 HB VAL 75 -8.531 -11.492 -0.094 595 HG11 VAL 75 1HG1 VAL 75 -8.948 -13.440 -2.371 596 HG12 VAL 75 2HG1 VAL 75 -7.632 -12.276 -2.238 597 HG13 VAL 75 3HG1 VAL 75 -9.292 -11.711 -2.421 598 HG21 VAL 75 3HG2 VAL 75 -10.900 -11.951 -0.599 599 HG22 VAL 75 1HG2 VAL 75 -10.411 -12.612 0.963 600 HG23 VAL 75 2HG2 VAL 75 -10.583 -13.676 -0.432 601 H ALA 76 H ALA 76 -6.130 -12.002 1.136 602 HA ALA 76 HA ALA 76 -4.228 -12.175 -0.955 603 HB1 ALA 76 1HB ALA 76 -3.825 -11.246 1.886 604 HB2 ALA 76 2HB ALA 76 -4.393 -10.242 0.553 605 HB3 ALA 76 3HB ALA 76 -2.760 -10.912 0.520 606 H PHE 77 H PHE 77 -4.662 -13.902 2.029 607 HA PHE 77 HA PHE 77 -2.156 -15.251 2.022 608 HB2 PHE 77 2HB PHE 77 -3.459 -14.969 4.083 609 HB3 PHE 77 1HB PHE 77 -4.771 -15.908 3.398 610 HD1 PHE 77 2HD PHE 77 -1.172 -16.181 4.345 611 HD2 PHE 77 1HD PHE 77 -4.895 -18.182 3.818 612 HE1 PHE 77 2HE PHE 77 -0.207 -18.229 5.310 613 HE2 PHE 77 1HE PHE 77 -3.940 -20.227 4.780 614 HZ PHE 77 HZ PHE 77 -1.590 -20.256 5.529 615 H GLU 78 H GLU 78 -5.340 -15.975 0.794 616 HA GLU 78 HA GLU 78 -4.832 -18.673 0.111 617 HB2 GLU 78 2HB GLU 78 -7.065 -17.456 0.495 618 HB3 GLU 78 1HB GLU 78 -6.894 -16.861 -1.138 619 HG2 GLU 78 2HG GLU 78 -6.976 -19.796 -0.450 620 HG3 GLU 78 1HG GLU 78 -8.405 -18.852 -0.825 621 H LEU 79 H LEU 79 -4.886 -15.660 -1.772 622 HA LEU 79 HA LEU 79 -4.126 -17.004 -4.213 623 HB2 LEU 79 2HB LEU 79 -4.388 -14.086 -3.547 624 HB3 LEU 79 1HB LEU 79 -4.059 -14.719 -5.145 625 HG LEU 79 HG LEU 79 -6.549 -15.231 -3.542 626 HD11 LEU 79 1HD1 LEU 79 -7.637 -13.781 -5.213 627 HD12 LEU 79 2HD1 LEU 79 -6.066 -13.464 -5.949 628 HD13 LEU 79 3HD1 LEU 79 -6.399 -12.908 -4.308 629 HD21 LEU 79 3HD2 LEU 79 -6.088 -17.092 -4.998 630 HD22 LEU 79 1HD2 LEU 79 -5.767 -15.998 -6.349 631 HD23 LEU 79 2HD2 LEU 79 -7.392 -16.130 -5.698 632 H ASN 80 H ASN 80 -2.499 -15.795 -1.578 633 HA ASN 80 HA ASN 80 -0.443 -15.157 -1.072 634 HB2 ASN 80 2HB ASN 80 0.263 -16.838 -3.484 635 HB3 ASN 80 1HB ASN 80 1.504 -16.050 -2.508 636 HD21 ASN 80 1HD2 ASN 80 1.807 -16.738 -0.396 637 HD22 ASN 80 2HD2 ASN 80 1.245 -18.275 0.148 638 H ALA 81 H ALA 81 -1.369 -13.219 -1.509 639 HA ALA 81 HA ALA 81 -0.294 -11.824 -3.853 640 HB1 ALA 81 1HB ALA 81 -2.310 -10.500 -3.836 641 HB2 ALA 81 2HB ALA 81 -2.862 -11.327 -2.382 642 HB3 ALA 81 3HB ALA 81 -2.733 -12.217 -3.894 643 H LEU 82 H LEU 82 -0.273 -9.432 -3.415 644 HA LEU 82 HA LEU 82 1.043 -8.961 -0.876 645 HB2 LEU 82 2HB LEU 82 0.469 -7.089 -3.174 646 HB3 LEU 82 1HB LEU 82 1.415 -6.685 -1.758 647 HG LEU 82 HG LEU 82 2.137 -8.634 -3.939 648 HD11 LEU 82 1HD1 LEU 82 4.009 -7.127 -4.278 649 HD12 LEU 82 2HD1 LEU 82 3.401 -6.070 -3.005 650 HD13 LEU 82 3HD1 LEU 82 2.469 -6.296 -4.485 651 HD21 LEU 82 3HD2 LEU 82 3.534 -8.024 -1.349 652 HD22 LEU 82 1HD2 LEU 82 4.222 -8.981 -2.671 653 HD23 LEU 82 2HD2 LEU 82 2.789 -9.549 -1.803 654 H LEU 83 H LEU 83 0.142 -7.950 0.772 655 HA LEU 83 HA LEU 83 -2.634 -7.176 0.339 656 HB2 LEU 83 2HB LEU 83 -2.328 -8.855 2.046 657 HB3 LEU 83 1HB LEU 83 -1.227 -7.819 2.933 658 HG LEU 83 HG LEU 83 -3.123 -6.214 3.269 659 HD11 LEU 83 1HD1 LEU 83 -5.405 -7.034 2.942 660 HD12 LEU 83 2HD1 LEU 83 -4.767 -8.455 2.114 661 HD13 LEU 83 3HD1 LEU 83 -4.537 -6.848 1.422 662 HD21 LEU 83 3HD2 LEU 83 -2.485 -7.759 5.023 663 HD22 LEU 83 1HD2 LEU 83 -3.511 -9.009 4.319 664 HD23 LEU 83 2HD2 LEU 83 -4.236 -7.549 4.993 665 H ILE 84 H ILE 84 -3.016 -5.148 0.113 666 HA ILE 84 HA ILE 84 -1.117 -3.173 1.133 667 HB ILE 84 HB ILE 84 -3.538 -2.738 -0.654 668 HG12 ILE 84 2HG1 ILE 84 -0.644 -3.011 -1.511 669 HG13 ILE 84 1HG1 ILE 84 -1.834 -4.297 -1.663 670 HG21 ILE 84 1HG2 ILE 84 -2.739 -0.735 0.513 671 HG22 ILE 84 2HG2 ILE 84 -2.405 -0.621 -1.215 672 HG23 ILE 84 3HG2 ILE 84 -1.107 -1.020 -0.093 673 HD11 ILE 84 3HD1 ILE 84 -3.130 -2.929 -3.188 674 HD12 ILE 84 1HD1 ILE 84 -1.475 -3.115 -3.761 675 HD13 ILE 84 2HD1 ILE 84 -1.985 -1.606 -2.999 676 H ALA 85 H ALA 85 -1.590 -2.551 3.143 677 HA ALA 85 HA ALA 85 -4.387 -2.065 3.825 678 HB1 ALA 85 1HB ALA 85 -3.811 -4.259 4.754 679 HB2 ALA 85 2HB ALA 85 -4.041 -3.073 6.038 680 HB3 ALA 85 3HB ALA 85 -2.412 -3.553 5.564 681 H GLU 86 H GLU 86 -4.610 -0.540 5.531 682 HA GLU 86 HA GLU 86 -2.308 1.299 5.584 683 HB2 GLU 86 2HB GLU 86 -4.875 1.810 4.963 684 HB3 GLU 86 1HB GLU 86 -4.951 2.048 6.694 685 HG2 GLU 86 2HG GLU 86 -3.154 3.463 4.787 686 HG3 GLU 86 1HG GLU 86 -4.611 4.135 5.458 687 H ASP 87 H ASP 87 -4.432 -0.662 7.517 688 HA ASP 87 HA ASP 87 -3.616 0.530 9.989 689 HB2 ASP 87 2HB ASP 87 -5.872 -0.503 9.685 690 HB3 ASP 87 1HB ASP 87 -5.083 -2.076 9.610 691 H LYS 88 H LYS 88 -1.927 0.035 11.128 692 HA LYS 88 HA LYS 88 -0.020 -1.703 9.979 693 HB2 LYS 88 2HB LYS 88 0.113 -0.031 12.480 694 HB3 LYS 88 1HB LYS 88 1.416 -1.105 12.001 695 HG2 LYS 88 2HG LYS 88 1.960 1.104 11.259 696 HG3 LYS 88 1HG LYS 88 1.569 0.137 9.841 697 HD2 LYS 88 2HD LYS 88 -0.750 1.083 9.961 698 HD3 LYS 88 1HD LYS 88 -0.167 2.179 11.212 699 HE2 LYS 88 2HE LYS 88 1.480 3.078 9.618 700 HE3 LYS 88 1HE LYS 88 0.857 1.982 8.387 701 HZ1 LYS 88 3HZ LYS 88 -0.161 4.156 8.142 702 HZ2 LYS 88 1HZ LYS 88 -0.725 4.100 9.736 703 HZ3 LYS 88 2HZ LYS 88 -1.297 3.019 8.574 704 H ASP 89 H ASP 89 -2.338 -2.220 12.483 705 HA ASP 89 HA ASP 89 -0.808 -4.436 13.502 706 HB2 ASP 89 2HB ASP 89 -2.341 -3.019 14.942 707 HB3 ASP 89 1HB ASP 89 -3.688 -3.824 14.140 708 H VAL 90 H VAL 90 -3.414 -3.853 11.312 709 HA VAL 90 HA VAL 90 -4.118 -6.528 10.723 710 HB VAL 90 HB VAL 90 -4.097 -4.078 8.906 711 HG11 VAL 90 1HG1 VAL 90 -5.525 -6.700 8.461 712 HG12 VAL 90 2HG1 VAL 90 -4.067 -6.196 7.614 713 HG13 VAL 90 3HG1 VAL 90 -5.570 -5.290 7.399 714 HG21 VAL 90 3HG2 VAL 90 -6.481 -3.991 9.344 715 HG22 VAL 90 1HG2 VAL 90 -5.573 -3.904 10.852 716 HG23 VAL 90 2HG2 VAL 90 -6.362 -5.413 10.376 717 H ILE 91 H ILE 91 -1.776 -4.338 9.276 718 HA ILE 91 HA ILE 91 -0.512 -6.015 7.441 719 HB ILE 91 HB ILE 91 0.584 -3.724 9.094 720 HG12 ILE 91 2HG1 ILE 91 -0.349 -3.786 6.228 721 HG13 ILE 91 1HG1 ILE 91 -1.297 -3.192 7.588 722 HG21 ILE 91 1HG2 ILE 91 2.465 -5.000 8.359 723 HG22 ILE 91 2HG2 ILE 91 2.373 -3.519 7.402 724 HG23 ILE 91 3HG2 ILE 91 1.845 -5.054 6.708 725 HD11 ILE 91 3HD1 ILE 91 0.376 -1.441 7.965 726 HD12 ILE 91 1HD1 ILE 91 -0.309 -1.370 6.340 727 HD13 ILE 91 2HD1 ILE 91 1.297 -2.052 6.591 728 H ASN 92 H ASN 92 0.153 -5.423 10.802 729 HA ASN 92 HA ASN 92 2.447 -6.886 11.317 730 HB2 ASN 92 2HB ASN 92 1.480 -5.313 12.885 731 HB3 ASN 92 1HB ASN 92 0.028 -6.282 13.006 732 HD21 ASN 92 1HD2 ASN 92 0.167 -6.372 15.207 733 HD22 ASN 92 2HD2 ASN 92 1.324 -7.356 16.017 734 H LYS 93 H LYS 93 -0.917 -7.911 11.761 735 HA LYS 93 HA LYS 93 -0.287 -10.540 12.611 736 HB2 LYS 93 2HB LYS 93 -2.417 -9.015 12.913 737 HB3 LYS 93 1HB LYS 93 -2.922 -9.788 11.422 738 HG2 LYS 93 2HG LYS 93 -2.246 -11.230 13.980 739 HG3 LYS 93 1HG LYS 93 -3.872 -10.836 13.445 740 HD2 LYS 93 2HD LYS 93 -3.589 -12.288 11.515 741 HD3 LYS 93 1HD LYS 93 -1.922 -12.621 11.990 742 HE2 LYS 93 2HE LYS 93 -4.396 -13.312 13.573 743 HE3 LYS 93 1HE LYS 93 -3.403 -14.435 12.647 744 HZ1 LYS 93 3HZ LYS 93 -2.557 -12.924 15.074 745 HZ2 LYS 93 1HZ LYS 93 -1.534 -13.916 14.148 746 HZ3 LYS 93 2HZ LYS 93 -2.853 -14.562 14.945 747 H ALA 94 H ALA 94 -1.286 -9.145 9.501 748 HA ALA 94 HA ALA 94 -1.729 -11.499 8.094 749 HB1 ALA 94 1HB ALA 94 -0.685 -8.901 7.009 750 HB2 ALA 94 2HB ALA 94 -2.383 -9.286 7.301 751 HB3 ALA 94 3HB ALA 94 -1.470 -10.181 6.083 752 H LYS 95 H LYS 95 1.300 -9.714 8.553 753 HA LYS 95 HA LYS 95 2.623 -11.563 6.836 754 HB2 LYS 95 2HB LYS 95 4.723 -10.412 7.321 755 HB3 LYS 95 1HB LYS 95 3.440 -9.328 6.821 756 HG2 LYS 95 2HG LYS 95 3.116 -8.683 9.186 757 HG3 LYS 95 1HG LYS 95 4.488 -9.712 9.616 758 HD2 LYS 95 2HD LYS 95 5.240 -7.412 9.398 759 HD3 LYS 95 1HD LYS 95 5.924 -8.394 8.102 760 HE2 LYS 95 2HE LYS 95 4.212 -7.574 6.549 761 HE3 LYS 95 1HE LYS 95 3.488 -6.630 7.845 762 HZ1 LYS 95 3HZ LYS 95 6.190 -6.260 6.685 763 HZ2 LYS 95 1HZ LYS 95 5.526 -5.307 7.922 764 HZ3 LYS 95 2HZ LYS 95 4.855 -5.324 6.362 765 H GLU 96 H GLU 96 1.879 -11.562 10.135 766 HA GLU 96 HA GLU 96 3.820 -13.456 10.979 767 HB2 GLU 96 2HB GLU 96 0.988 -13.013 11.924 768 HB3 GLU 96 1HB GLU 96 2.122 -14.103 12.696 769 HG2 GLU 96 2HG GLU 96 3.587 -12.181 13.162 770 HG3 GLU 96 1HG GLU 96 2.360 -11.121 12.461 771 H LEU 97 H LEU 97 0.907 -13.638 9.145 772 HA LEU 97 HA LEU 97 0.724 -16.529 9.258 773 HB2 LEU 97 2HB LEU 97 -0.788 -14.539 7.571 774 HB3 LEU 97 1HB LEU 97 -1.162 -16.243 7.711 775 HG LEU 97 HG LEU 97 -1.343 -14.223 9.951 776 HD11 LEU 97 1HD1 LEU 97 -3.495 -15.591 8.347 777 HD12 LEU 97 2HD1 LEU 97 -3.057 -13.885 8.269 778 HD13 LEU 97 3HD1 LEU 97 -3.756 -14.549 9.744 779 HD21 LEU 97 3HD2 LEU 97 -2.462 -16.037 11.185 780 HD22 LEU 97 1HD2 LEU 97 -0.791 -16.446 10.795 781 HD23 LEU 97 2HD2 LEU 97 -2.109 -17.145 9.861 782 H GLY 98 H GLY 98 2.320 -14.196 7.394 783 HA2 GLY 98 2HA GLY 98 4.087 -14.946 5.912 784 HA3 GLY 98 1HA GLY 98 3.037 -16.265 5.421 785 H VAL 99 H VAL 99 1.398 -13.300 5.697 786 HA VAL 99 HA VAL 99 1.307 -13.076 2.786 787 HB VAL 99 HB VAL 99 -0.261 -11.539 4.868 788 HG11 VAL 99 1HG1 VAL 99 -0.734 -11.899 1.914 789 HG12 VAL 99 2HG1 VAL 99 -0.178 -10.429 2.712 790 HG13 VAL 99 3HG1 VAL 99 -1.800 -11.042 3.027 791 HG21 VAL 99 3HG2 VAL 99 -1.076 -14.020 3.366 792 HG22 VAL 99 1HG2 VAL 99 -2.143 -13.048 4.380 793 HG23 VAL 99 2HG2 VAL 99 -0.771 -13.895 5.099 794 H ASN 100 H ASN 100 2.489 -11.502 1.785 795 HA ASN 100 HA ASN 100 3.966 -9.686 3.421 796 HB2 ASN 100 2HB ASN 100 4.964 -10.572 1.335 797 HB3 ASN 100 1HB ASN 100 3.715 -9.761 0.404 798 HD21 ASN 100 1HD2 ASN 100 5.302 -8.607 -0.716 799 HD22 ASN 100 2HD2 ASN 100 6.111 -7.252 -0.022 800 H ALA 101 H ALA 101 2.543 -8.546 4.462 801 HA ALA 101 HA ALA 101 0.675 -6.851 3.019 802 HB1 ALA 101 1HB ALA 101 1.060 -7.258 5.981 803 HB2 ALA 101 2HB ALA 101 -0.153 -8.053 4.980 804 HB3 ALA 101 3HB ALA 101 -0.219 -6.305 5.225 805 H ILE 102 H ILE 102 1.037 -4.803 2.703 806 HA ILE 102 HA ILE 102 3.109 -3.512 4.211 807 HB ILE 102 HB ILE 102 3.853 -2.376 1.997 808 HG12 ILE 102 2HG1 ILE 102 3.840 -4.023 0.032 809 HG13 ILE 102 1HG1 ILE 102 2.587 -4.899 0.889 810 HG21 ILE 102 1HG2 ILE 102 5.564 -4.082 1.593 811 HG22 ILE 102 2HG2 ILE 102 4.669 -5.187 2.643 812 HG23 ILE 102 3HG2 ILE 102 5.343 -3.698 3.301 813 HD11 ILE 102 3HD1 ILE 102 1.147 -2.920 0.762 814 HD12 ILE 102 1HD1 ILE 102 1.656 -3.476 -0.837 815 HD13 ILE 102 2HD1 ILE 102 2.429 -2.071 -0.100 816 HA PRO 103 HA PRO 103 0.248 -0.095 4.311 817 HB2 PRO 103 2HB PRO 103 2.497 1.756 4.336 818 HB3 PRO 103 1HB PRO 103 1.345 1.395 5.620 819 HG2 PRO 103 2HG PRO 103 3.951 0.692 5.660 820 HG3 PRO 103 1HG PRO 103 2.690 -0.177 6.550 821 HD2 PRO 103 2HD PRO 103 4.112 -0.916 4.049 822 HD3 PRO 103 1HD PRO 103 3.426 -1.945 5.324 823 H ILE 104 H ILE 104 -0.188 1.900 3.248 824 HA ILE 104 HA ILE 104 -0.303 1.704 0.472 825 HB ILE 104 HB ILE 104 -0.571 4.186 2.190 826 HG12 ILE 104 2HG1 ILE 104 -2.678 2.341 1.046 827 HG13 ILE 104 1HG1 ILE 104 -2.188 2.405 2.736 828 HG21 ILE 104 1HG2 ILE 104 -1.828 5.164 0.307 829 HG22 ILE 104 2HG2 ILE 104 -1.394 3.769 -0.684 830 HG23 ILE 104 3HG2 ILE 104 -0.139 4.857 -0.091 831 HD11 ILE 104 3HD1 ILE 104 -3.479 4.637 1.189 832 HD12 ILE 104 1HD1 ILE 104 -3.029 4.694 2.889 833 HD13 ILE 104 2HD1 ILE 104 -4.293 3.587 2.343 834 H GLU 105 H GLU 105 1.783 3.796 2.443 835 HA GLU 105 HA GLU 105 3.125 5.032 0.367 836 HB2 GLU 105 2HB GLU 105 4.363 4.427 3.053 837 HB3 GLU 105 1HB GLU 105 4.864 5.629 1.868 838 HG2 GLU 105 2HG GLU 105 3.780 6.886 3.475 839 HG3 GLU 105 1HG GLU 105 2.564 6.673 2.224 840 H GLU 106 H GLU 106 3.800 1.916 1.825 841 HA GLU 106 HA GLU 106 6.363 1.613 0.610 842 HB2 GLU 106 2HB GLU 106 4.462 -0.455 1.690 843 HB3 GLU 106 1HB GLU 106 6.103 -0.804 1.164 844 HG2 GLU 106 2HG GLU 106 5.272 0.960 3.459 845 HG3 GLU 106 1HG GLU 106 6.025 -0.634 3.555 846 H LEU 107 H LEU 107 3.101 0.714 -0.265 847 HA LEU 107 HA LEU 107 3.747 -0.731 -2.626 848 HB2 LEU 107 2HB LEU 107 1.537 -0.774 -1.377 849 HB3 LEU 107 1HB LEU 107 1.236 0.836 -1.962 850 HG LEU 107 HG LEU 107 -0.016 -1.005 -3.135 851 HD11 LEU 107 1HD1 LEU 107 1.751 0.651 -4.890 852 HD12 LEU 107 2HD1 LEU 107 0.248 1.178 -4.146 853 HD13 LEU 107 3HD1 LEU 107 0.230 -0.112 -5.353 854 HD21 LEU 107 3HD2 LEU 107 1.751 -2.677 -3.198 855 HD22 LEU 107 1HD2 LEU 107 2.696 -1.656 -4.281 856 HD23 LEU 107 2HD2 LEU 107 1.156 -2.326 -4.821 857 H LEU 108 H LEU 108 2.923 2.646 -1.981 858 HA LEU 108 HA LEU 108 3.100 3.652 -4.592 859 HB2 LEU 108 2HB LEU 108 3.809 5.012 -1.995 860 HB3 LEU 108 1HB LEU 108 3.591 5.833 -3.522 861 HG LEU 108 HG LEU 108 1.420 4.334 -2.051 862 HD11 LEU 108 1HD1 LEU 108 0.557 6.543 -1.512 863 HD12 LEU 108 2HD1 LEU 108 1.944 7.284 -2.305 864 HD13 LEU 108 3HD1 LEU 108 2.180 6.324 -0.844 865 HD21 LEU 108 3HD2 LEU 108 1.316 6.151 -4.469 866 HD22 LEU 108 1HD2 LEU 108 -0.081 5.465 -3.641 867 HD23 LEU 108 2HD2 LEU 108 1.055 4.408 -4.477 868 H ALA 109 H ALA 109 5.570 3.281 -2.107 869 HA ALA 109 HA ALA 109 7.725 4.395 -3.506 870 HB1 ALA 109 1HB ALA 109 9.132 3.259 -1.877 871 HB2 ALA 109 2HB ALA 109 7.766 2.252 -1.389 872 HB3 ALA 109 3HB ALA 109 7.729 3.989 -1.094 873 H SER 110 H SER 110 6.237 1.285 -3.734 874 HA SER 110 HA SER 110 8.470 0.123 -5.201 875 HB2 SER 110 2HB SER 110 5.807 -1.075 -4.402 876 HB3 SER 110 1HB SER 110 7.212 -1.952 -5.012 877 HG SER 110 HG SER 110 6.943 -0.550 -2.566 878 H SER 111 H SER 111 6.848 2.350 -6.318 879 HA SER 111 HA SER 111 5.583 0.988 -8.585 880 HB2 SER 111 2HB SER 111 5.372 3.889 -7.776 881 HB3 SER 111 1HB SER 111 4.398 3.059 -8.989 882 HG SER 111 HG SER 111 4.326 2.959 -6.228 883 H LEU 112 H LEU 112 7.247 0.559 -9.938 884 HA LEU 112 HA LEU 112 8.807 0.856 -11.536 885 HB2 LEU 112 2HB LEU 112 8.088 3.795 -11.342 886 HB3 LEU 112 1HB LEU 112 9.027 3.069 -12.626 887 HG LEU 112 HG LEU 112 6.113 2.527 -12.046 888 HD11 LEU 112 1HD1 LEU 112 5.714 3.665 -14.168 889 HD12 LEU 112 2HD1 LEU 112 7.434 4.031 -14.295 890 HD13 LEU 112 3HD1 LEU 112 6.476 4.726 -12.983 891 HD21 LEU 112 3HD2 LEU 112 7.871 1.503 -14.278 892 HD22 LEU 112 1HD2 LEU 112 6.132 1.265 -14.147 893 HD23 LEU 112 2HD2 LEU 112 7.210 0.541 -12.957 894 H GLU 113 H GLU 113 9.408 0.943 -8.760 895 HA GLU 113 HA GLU 113 11.260 2.816 -7.899 896 HB2 GLU 113 2HB GLU 113 11.859 1.275 -6.153 897 HB3 GLU 113 1HB GLU 113 10.147 1.093 -6.454 898 HG2 GLU 113 2HG GLU 113 12.330 -0.811 -7.355 899 HG3 GLU 113 1HG GLU 113 11.241 -1.059 -6.004 900 H HIS 114 H HIS 114 11.814 -0.197 -9.512 901 HA HIS 114 HA HIS 114 14.281 0.823 -10.664 902 HB2 HIS 114 2HB HIS 114 15.029 -0.419 -8.639 903 HB3 HIS 114 1HB HIS 114 14.180 -1.846 -9.218 904 HD1 HIS 114 1HD HIS 114 15.758 -3.487 -10.252 905 HD2 HIS 114 2HD HIS 114 17.013 0.434 -10.843 906 HE1 HIS 114 1HE HIS 114 17.860 -3.646 -11.577 907 HE2 HIS 114 2HE HIS 114 18.746 -1.301 -11.627 908 H HIS 115 H HIS 115 11.534 -1.318 -10.619 909 HA HIS 115 HA HIS 115 12.334 -2.519 -13.074 910 HB2 HIS 115 2HB HIS 115 9.863 -2.884 -11.407 911 HB3 HIS 115 1HB HIS 115 10.012 -3.579 -13.019 912 HD1 HIS 115 1HD HIS 115 11.978 -5.281 -13.361 913 HD2 HIS 115 2HD HIS 115 11.169 -4.251 -9.430 914 HE1 HIS 115 1HE HIS 115 13.113 -7.036 -11.952 915 HE2 HIS 115 2HE HIS 115 12.374 -6.532 -9.618 916 H HIS 116 H HIS 116 12.646 -0.518 -13.877 917 HA HIS 116 HA HIS 116 10.708 0.072 -15.888 918 HB2 HIS 116 2HB HIS 116 9.960 1.452 -13.895 919 HB3 HIS 116 1HB HIS 116 11.501 2.286 -13.970 920 HD1 HIS 116 1HD HIS 116 8.820 1.521 -16.584 921 HD2 HIS 116 2HD HIS 116 11.119 4.673 -15.163 922 HE1 HIS 116 1HE HIS 116 8.158 3.503 -17.946 923 HE2 HIS 116 2HE HIS 116 9.249 5.411 -16.757 924 H HIS 117 H HIS 117 13.585 -0.743 -15.171 925 HA HIS 117 HA HIS 117 15.042 1.313 -16.676 926 HB2 HIS 117 2HB HIS 117 16.155 0.768 -14.563 927 HB3 HIS 117 1HB HIS 117 16.103 -0.945 -14.937 928 HD1 HIS 117 1HD HIS 117 18.299 -1.803 -15.638 929 HD2 HIS 117 2HD HIS 117 17.813 2.157 -16.799 930 HE1 HIS 117 1HE HIS 117 20.418 -1.183 -16.814 931 HE2 HIS 117 2HE HIS 117 20.180 1.247 -17.353 932 H HIS 118 H HIS 118 15.523 -2.197 -16.460 933 HA HIS 118 HA HIS 118 15.564 -2.281 -19.389 934 HB2 HIS 118 2HB HIS 118 17.275 -3.536 -17.918 935 HB3 HIS 118 1HB HIS 118 15.941 -4.571 -17.433 936 HD1 HIS 118 1HD HIS 118 18.484 -4.136 -20.013 937 HD2 HIS 118 2HD HIS 118 14.878 -6.168 -19.645 938 HE1 HIS 118 1HE HIS 118 18.469 -5.825 -21.866 939 HE2 HIS 118 2HE HIS 118 16.387 -7.185 -21.470 940 H HIS 119 H HIS 119 13.959 -3.345 -16.538 941 HA HIS 119 HA HIS 119 11.472 -2.863 -17.040 942 HB2 HIS 119 2HB HIS 119 11.669 -4.851 -18.788 943 HB3 HIS 119 1HB HIS 119 11.854 -5.879 -17.369 944 HD1 HIS 119 1HD HIS 119 9.326 -4.717 -19.586 945 HD2 HIS 119 2HD HIS 119 9.484 -5.376 -15.489 946 HE1 HIS 119 1HE HIS 119 6.955 -4.918 -18.844 947 HE2 HIS 119 2HE HIS 119 7.070 -5.071 -16.356 Start of MODEL 8 1 H1 MET 1 1HT MET 1 1.836 -11.790 -10.747 2 H2 MET 1 2HT MET 1 1.179 -10.218 -10.695 3 H3 MET 1 3HT MET 1 0.176 -11.542 -10.958 4 HA MET 1 HA MET 1 0.557 -12.357 -8.777 5 HB2 MET 1 2HB MET 1 2.911 -11.457 -8.620 6 HB3 MET 1 1HB MET 1 2.228 -9.857 -8.377 7 HG2 MET 1 2HG MET 1 1.122 -10.662 -6.333 8 HG3 MET 1 1HG MET 1 1.860 -12.239 -6.586 9 HE1 MET 1 2HE MET 1 2.142 -10.794 -3.845 10 HE2 MET 1 3HE MET 1 3.861 -11.011 -3.521 11 HE3 MET 1 1HE MET 1 2.924 -12.326 -4.233 12 H PHE 2 H PHE 2 -0.965 -11.809 -7.271 13 HA PHE 2 HA PHE 2 -2.703 -9.626 -8.049 14 HB2 PHE 2 2HB PHE 2 -3.018 -11.786 -5.949 15 HB3 PHE 2 1HB PHE 2 -4.242 -10.592 -6.353 16 HD1 PHE 2 2HD PHE 2 -2.478 -13.609 -7.492 17 HD2 PHE 2 1HD PHE 2 -5.573 -10.824 -8.341 18 HE1 PHE 2 2HE PHE 2 -3.382 -15.133 -9.203 19 HE2 PHE 2 1HE PHE 2 -6.482 -12.345 -10.042 20 HZ PHE 2 HZ PHE 2 -5.386 -14.500 -10.477 21 H ALA 3 H ALA 3 -3.536 -8.146 -6.454 22 HA ALA 3 HA ALA 3 -1.950 -7.787 -4.035 23 HB1 ALA 3 1HB ALA 3 -2.664 -5.598 -6.007 24 HB2 ALA 3 2HB ALA 3 -1.040 -6.204 -5.683 25 HB3 ALA 3 3HB ALA 3 -1.930 -5.344 -4.427 26 H VAL 4 H VAL 4 -3.358 -7.844 -2.416 27 HA VAL 4 HA VAL 4 -6.167 -7.368 -3.059 28 HB VAL 4 HB VAL 4 -4.961 -8.801 -0.680 29 HG11 VAL 4 1HG1 VAL 4 -7.164 -7.811 -0.174 30 HG12 VAL 4 2HG1 VAL 4 -7.270 -9.569 -0.240 31 HG13 VAL 4 3HG1 VAL 4 -7.849 -8.600 -1.594 32 HG21 VAL 4 3HG2 VAL 4 -5.776 -10.856 -1.732 33 HG22 VAL 4 1HG2 VAL 4 -4.603 -10.030 -2.756 34 HG23 VAL 4 2HG2 VAL 4 -6.327 -9.930 -3.126 35 H ILE 5 H ILE 5 -7.248 -5.798 -2.176 36 HA ILE 5 HA ILE 5 -5.772 -3.834 -0.602 37 HB ILE 5 HB ILE 5 -8.439 -3.578 -2.024 38 HG12 ILE 5 2HG1 ILE 5 -5.691 -2.676 -2.951 39 HG13 ILE 5 1HG1 ILE 5 -6.523 -4.104 -3.552 40 HG21 ILE 5 1HG2 ILE 5 -6.555 -1.489 -0.928 41 HG22 ILE 5 2HG2 ILE 5 -8.099 -1.960 -0.218 42 HG23 ILE 5 3HG2 ILE 5 -8.058 -1.177 -1.797 43 HD11 ILE 5 3HD1 ILE 5 -6.737 -2.239 -5.093 44 HD12 ILE 5 1HD1 ILE 5 -7.456 -1.257 -3.819 45 HD13 ILE 5 2HD1 ILE 5 -8.308 -2.679 -4.426 46 H SER 6 H SER 6 -6.239 -3.496 1.516 47 HA SER 6 HA SER 6 -8.594 -4.746 2.683 48 HB2 SER 6 2HB SER 6 -6.293 -3.263 3.995 49 HB3 SER 6 1HB SER 6 -7.524 -4.221 4.822 50 HG SER 6 HG SER 6 -6.134 -5.448 2.785 51 HA PRO 7 HA PRO 7 -11.068 -1.044 2.723 52 HB2 PRO 7 2HB PRO 7 -11.504 -1.661 5.617 53 HB3 PRO 7 1HB PRO 7 -12.692 -1.265 4.364 54 HG2 PRO 7 2HG PRO 7 -12.399 -3.778 5.077 55 HG3 PRO 7 1HG PRO 7 -12.510 -3.371 3.354 56 HD2 PRO 7 2HD PRO 7 -10.091 -4.061 4.981 57 HD3 PRO 7 1HD PRO 7 -10.533 -4.573 3.336 58 H SER 8 H SER 8 -8.668 -1.334 5.292 59 HA SER 8 HA SER 8 -8.675 1.365 6.092 60 HB2 SER 8 2HB SER 8 -6.290 0.813 6.847 61 HB3 SER 8 1HB SER 8 -7.591 -0.162 7.525 62 HG SER 8 HG SER 8 -6.878 -1.847 6.565 63 H ALA 9 H ALA 9 -7.444 -0.103 3.227 64 HA ALA 9 HA ALA 9 -5.627 2.081 2.640 65 HB1 ALA 9 1HB ALA 9 -5.037 0.722 0.672 66 HB2 ALA 9 2HB ALA 9 -6.304 -0.425 1.111 67 HB3 ALA 9 3HB ALA 9 -4.918 -0.195 2.174 68 H PHE 10 H PHE 10 -8.812 1.906 2.512 69 HA PHE 10 HA PHE 10 -9.402 2.538 -0.196 70 HB2 PHE 10 2HB PHE 10 -11.032 2.897 2.300 71 HB3 PHE 10 1HB PHE 10 -11.608 3.346 0.706 72 HD1 PHE 10 2HD PHE 10 -9.689 0.575 0.046 73 HD2 PHE 10 1HD PHE 10 -13.312 1.641 2.000 74 HE1 PHE 10 2HE PHE 10 -10.522 -1.700 -0.275 75 HE2 PHE 10 1HE PHE 10 -14.146 -0.636 1.686 76 HZ PHE 10 HZ PHE 10 -12.754 -2.311 0.550 77 H GLY 11 H GLY 11 -10.227 4.413 -1.060 78 HA2 GLY 11 2HA GLY 11 -10.435 6.700 -1.374 79 HA3 GLY 11 1HA GLY 11 -9.666 6.962 0.189 80 H LYS 12 H LYS 12 -7.440 5.309 -0.350 81 HA LYS 12 HA LYS 12 -5.938 7.179 -2.001 82 HB2 LYS 12 2HB LYS 12 -5.064 5.103 -0.023 83 HB3 LYS 12 1HB LYS 12 -3.981 6.227 -0.858 84 HG2 LYS 12 2HG LYS 12 -5.058 8.098 0.224 85 HG3 LYS 12 1HG LYS 12 -6.245 7.026 0.962 86 HD2 LYS 12 2HD LYS 12 -4.608 7.578 2.607 87 HD3 LYS 12 1HD LYS 12 -4.411 5.891 2.106 88 HE2 LYS 12 2HE LYS 12 -2.530 6.478 0.708 89 HE3 LYS 12 1HE LYS 12 -2.766 8.188 1.062 90 HZ1 LYS 12 3HZ LYS 12 -0.983 7.247 2.376 91 HZ2 LYS 12 1HZ LYS 12 -2.020 6.106 3.059 92 HZ3 LYS 12 2HZ LYS 12 -2.232 7.748 3.368 93 H LEU 13 H LEU 13 -7.623 4.687 -2.578 94 HA LEU 13 HA LEU 13 -6.194 2.641 -3.852 95 HB2 LEU 13 2HB LEU 13 -8.830 3.823 -4.724 96 HB3 LEU 13 1HB LEU 13 -8.238 2.219 -5.092 97 HG LEU 13 HG LEU 13 -9.027 3.222 -2.357 98 HD11 LEU 13 1HD1 LEU 13 -10.943 2.912 -3.835 99 HD12 LEU 13 2HD1 LEU 13 -10.901 1.678 -2.577 100 HD13 LEU 13 3HD1 LEU 13 -10.389 1.280 -4.217 101 HD21 LEU 13 3HD2 LEU 13 -8.140 0.517 -3.307 102 HD22 LEU 13 1HD2 LEU 13 -8.774 0.873 -1.702 103 HD23 LEU 13 2HD2 LEU 13 -7.251 1.588 -2.220 104 H LYS 14 H LYS 14 -7.207 5.755 -4.839 105 HA LYS 14 HA LYS 14 -6.896 5.699 -7.617 106 HB2 LYS 14 2HB LYS 14 -6.512 8.017 -5.732 107 HB3 LYS 14 1HB LYS 14 -6.926 8.114 -7.439 108 HG2 LYS 14 2HG LYS 14 -9.063 7.146 -7.063 109 HG3 LYS 14 1HG LYS 14 -8.654 6.747 -5.396 110 HD2 LYS 14 2HD LYS 14 -8.414 9.170 -4.950 111 HD3 LYS 14 1HD LYS 14 -9.018 9.487 -6.584 112 HE2 LYS 14 2HE LYS 14 -11.086 8.333 -6.069 113 HE3 LYS 14 1HE LYS 14 -10.482 7.921 -4.469 114 HZ1 LYS 14 3HZ LYS 14 -10.995 10.666 -5.455 115 HZ2 LYS 14 1HZ LYS 14 -10.444 10.250 -3.914 116 HZ3 LYS 14 2HZ LYS 14 -11.995 9.775 -4.437 117 H GLU 15 H GLU 15 -4.622 6.388 -5.002 118 HA GLU 15 HA GLU 15 -2.565 7.237 -6.757 119 HB2 GLU 15 2HB GLU 15 -2.437 6.452 -3.840 120 HB3 GLU 15 1HB GLU 15 -1.110 7.165 -4.746 121 HG2 GLU 15 2HG GLU 15 -2.528 9.152 -5.169 122 HG3 GLU 15 1HG GLU 15 -3.767 8.445 -4.138 123 H ILE 16 H ILE 16 -2.936 4.321 -4.737 124 HA ILE 16 HA ILE 16 -0.638 3.045 -5.689 125 HB ILE 16 HB ILE 16 -1.634 0.893 -4.878 126 HG12 ILE 16 2HG1 ILE 16 -3.990 2.640 -4.103 127 HG13 ILE 16 1HG1 ILE 16 -4.017 1.422 -5.370 128 HG21 ILE 16 1HG2 ILE 16 -1.649 1.550 -2.520 129 HG22 ILE 16 2HG2 ILE 16 -1.791 3.235 -3.022 130 HG23 ILE 16 3HG2 ILE 16 -0.334 2.320 -3.417 131 HD11 ILE 16 3HD1 ILE 16 -5.074 0.613 -3.339 132 HD12 ILE 16 1HD1 ILE 16 -3.592 0.922 -2.431 133 HD13 ILE 16 2HD1 ILE 16 -3.615 -0.310 -3.696 134 H LEU 17 H LEU 17 -3.938 2.771 -6.897 135 HA LEU 17 HA LEU 17 -3.414 0.721 -8.750 136 HB2 LEU 17 2HB LEU 17 -5.620 1.179 -7.904 137 HB3 LEU 17 1HB LEU 17 -5.589 2.788 -8.576 138 HG LEU 17 HG LEU 17 -5.699 1.835 -10.846 139 HD11 LEU 17 1HD1 LEU 17 -5.921 -0.816 -9.428 140 HD12 LEU 17 2HD1 LEU 17 -4.575 -0.293 -10.444 141 HD13 LEU 17 3HD1 LEU 17 -6.174 -0.532 -11.149 142 HD21 LEU 17 3HD2 LEU 17 -7.743 2.440 -9.735 143 HD22 LEU 17 1HD2 LEU 17 -7.790 0.875 -8.914 144 HD23 LEU 17 2HD2 LEU 17 -7.976 0.946 -10.657 145 H GLY 18 H GLY 18 -3.437 4.248 -9.030 146 HA2 GLY 18 2HA GLY 18 -3.063 4.152 -11.887 147 HA3 GLY 18 1HA GLY 18 -3.074 5.592 -10.886 148 H SER 19 H SER 19 -0.987 4.556 -9.111 149 HA SER 19 HA SER 19 1.210 5.579 -10.637 150 HB2 SER 19 2HB SER 19 1.202 4.441 -7.840 151 HB3 SER 19 1HB SER 19 2.454 5.443 -8.576 152 HG SER 19 HG SER 19 -0.206 6.142 -7.995 153 H ASN 20 H ASN 20 0.386 2.442 -9.189 154 HA ASN 20 HA ASN 20 2.878 1.390 -10.232 155 HB2 ASN 20 2HB ASN 20 2.120 0.933 -7.863 156 HB3 ASN 20 1HB ASN 20 0.844 -0.061 -8.540 157 HD21 ASN 20 1HD2 ASN 20 3.097 -0.730 -6.797 158 HD22 ASN 20 2HD2 ASN 20 3.980 -1.991 -7.579 159 H LYS 21 H LYS 21 -0.629 0.528 -10.315 160 HA LYS 21 HA LYS 21 -1.756 -0.996 -11.573 161 HB2 LYS 21 2HB LYS 21 0.310 -0.156 -13.667 162 HB3 LYS 21 1HB LYS 21 -1.146 -1.075 -14.031 163 HG2 LYS 21 2HG LYS 21 -2.535 0.807 -13.384 164 HG3 LYS 21 1HG LYS 21 -1.108 1.721 -12.904 165 HD2 LYS 21 2HD LYS 21 -1.661 0.746 -15.711 166 HD3 LYS 21 1HD LYS 21 -2.019 2.370 -15.130 167 HE2 LYS 21 2HE LYS 21 0.727 1.095 -15.248 168 HE3 LYS 21 1HE LYS 21 0.093 2.299 -16.363 169 HZ1 LYS 21 3HZ LYS 21 1.538 3.257 -14.672 170 HZ2 LYS 21 1HZ LYS 21 0.508 2.753 -13.450 171 HZ3 LYS 21 2HZ LYS 21 0.003 3.893 -14.577 172 H ASN 22 H ASN 22 -0.311 -2.771 -13.636 173 HA ASN 22 HA ASN 22 1.099 -4.501 -13.797 174 HB2 ASN 22 2HB ASN 22 3.031 -3.366 -13.559 175 HB3 ASN 22 1HB ASN 22 2.521 -2.607 -12.072 176 HD21 ASN 22 1HD2 ASN 22 3.328 -3.310 -10.247 177 HD22 ASN 22 2HD2 ASN 22 4.414 -4.640 -10.049 178 H TYR 23 H TYR 23 -0.509 -4.146 -10.884 179 HA TYR 23 HA TYR 23 -0.158 -7.008 -10.333 180 HB2 TYR 23 2HB TYR 23 -0.860 -4.747 -8.450 181 HB3 TYR 23 1HB TYR 23 -1.088 -6.439 -8.041 182 HD1 TYR 23 2HD TYR 23 0.901 -7.931 -7.897 183 HD2 TYR 23 1HD TYR 23 1.256 -3.714 -8.255 184 HE1 TYR 23 2HE TYR 23 3.211 -8.071 -7.102 185 HE2 TYR 23 1HE TYR 23 3.570 -3.839 -7.462 186 HH TYR 23 HH TYR 23 5.024 -5.328 -6.181 187 H LYS 24 H LYS 24 -2.098 -8.106 -9.740 188 HA LYS 24 HA LYS 24 -4.411 -6.880 -11.004 189 HB2 LYS 24 2HB LYS 24 -3.766 -9.339 -11.365 190 HB3 LYS 24 1HB LYS 24 -4.277 -9.615 -9.707 191 HG2 LYS 24 2HG LYS 24 -6.203 -10.185 -10.791 192 HG3 LYS 24 1HG LYS 24 -6.501 -8.465 -10.578 193 HD2 LYS 24 2HD LYS 24 -5.437 -9.802 -13.083 194 HD3 LYS 24 1HD LYS 24 -7.060 -9.186 -12.852 195 HE2 LYS 24 2HE LYS 24 -6.208 -6.914 -12.708 196 HE3 LYS 24 1HE LYS 24 -4.552 -7.517 -12.817 197 HZ1 LYS 24 3HZ LYS 24 -5.031 -8.338 -15.025 198 HZ2 LYS 24 1HZ LYS 24 -5.311 -6.686 -14.927 199 HZ3 LYS 24 2HZ LYS 24 -6.611 -7.751 -14.938 200 H PHE 25 H PHE 25 -5.283 -5.448 -9.737 201 HA PHE 25 HA PHE 25 -5.149 -5.672 -6.906 202 HB2 PHE 25 2HB PHE 25 -6.434 -3.655 -8.730 203 HB3 PHE 25 1HB PHE 25 -6.537 -3.544 -6.972 204 HD1 PHE 25 1HD PHE 25 -4.263 -3.400 -9.877 205 HD2 PHE 25 2HD PHE 25 -4.664 -2.793 -5.686 206 HE1 PHE 25 1HE PHE 25 -2.107 -2.222 -9.845 207 HE2 PHE 25 2HE PHE 25 -2.509 -1.612 -5.648 208 HZ PHE 25 HZ PHE 25 -1.227 -1.322 -7.730 209 H VAL 26 H VAL 26 -6.415 -6.613 -5.667 210 HA VAL 26 HA VAL 26 -9.050 -7.510 -6.596 211 HB VAL 26 HB VAL 26 -7.075 -8.824 -4.716 212 HG11 VAL 26 1HG1 VAL 26 -8.618 -10.719 -4.684 213 HG12 VAL 26 2HG1 VAL 26 -9.770 -9.786 -5.641 214 HG13 VAL 26 3HG1 VAL 26 -9.350 -9.263 -4.010 215 HG21 VAL 26 3HG2 VAL 26 -7.987 -9.636 -7.466 216 HG22 VAL 26 1HG2 VAL 26 -6.933 -10.581 -6.416 217 HG23 VAL 26 2HG2 VAL 26 -6.394 -9.017 -7.032 218 H ILE 27 H ILE 27 -10.714 -6.937 -5.328 219 HA ILE 27 HA ILE 27 -10.110 -6.064 -2.611 220 HB ILE 27 HB ILE 27 -10.718 -4.134 -4.087 221 HG12 ILE 27 2HG1 ILE 27 -12.799 -4.746 -1.974 222 HG13 ILE 27 1HG1 ILE 27 -11.199 -4.097 -1.659 223 HG21 ILE 27 1HG2 ILE 27 -13.375 -5.531 -4.360 224 HG22 ILE 27 2HG2 ILE 27 -12.198 -5.266 -5.643 225 HG23 ILE 27 3HG2 ILE 27 -13.020 -3.892 -4.903 226 HD11 ILE 27 3HD1 ILE 27 -13.349 -2.749 -3.258 227 HD12 ILE 27 1HD1 ILE 27 -11.747 -2.104 -2.912 228 HD13 ILE 27 2HD1 ILE 27 -12.893 -2.368 -1.596 229 H THR 28 H THR 28 -11.871 -6.508 -1.076 230 HA THR 28 HA THR 28 -12.996 -9.083 -1.683 231 HB THR 28 HB THR 28 -13.468 -9.023 0.788 232 HG1 THR 28 1HG THR 28 -12.095 -7.364 1.831 233 HG21 THR 28 3HG2 THR 28 -10.617 -8.590 -0.111 234 HG22 THR 28 1HG2 THR 28 -11.496 -10.119 -0.188 235 HG23 THR 28 2HG2 THR 28 -11.136 -9.392 1.376 236 H THR 29 H THR 29 -15.143 -9.555 -0.658 237 HA THR 29 HA THR 29 -17.155 -7.914 -1.727 238 HB THR 29 HB THR 29 -18.588 -9.522 -0.208 239 HG1 THR 29 1HG THR 29 -16.260 -10.226 0.694 240 HG21 THR 29 3HG2 THR 29 -18.496 -9.581 -2.660 241 HG22 THR 29 1HG2 THR 29 -18.462 -11.210 -1.988 242 HG23 THR 29 2HG2 THR 29 -16.975 -10.471 -2.584 243 H LEU 30 H LEU 30 -15.938 -8.377 1.592 244 HA LEU 30 HA LEU 30 -17.864 -6.582 2.681 245 HB2 LEU 30 2HB LEU 30 -15.213 -7.531 3.780 246 HB3 LEU 30 1HB LEU 30 -16.370 -6.570 4.678 247 HG LEU 30 HG LEU 30 -16.833 -9.376 3.660 248 HD11 LEU 30 1HD1 LEU 30 -16.374 -8.336 6.450 249 HD12 LEU 30 2HD1 LEU 30 -15.267 -9.333 5.502 250 HD13 LEU 30 3HD1 LEU 30 -16.812 -9.990 6.024 251 HD21 LEU 30 3HD2 LEU 30 -18.892 -9.285 5.000 252 HD22 LEU 30 1HD2 LEU 30 -18.909 -8.102 3.692 253 HD23 LEU 30 2HD2 LEU 30 -18.582 -7.581 5.343 254 H GLY 31 H GLY 31 -14.745 -6.319 1.218 255 HA2 GLY 31 2HA GLY 31 -14.079 -3.711 1.949 256 HA3 GLY 31 1HA GLY 31 -13.563 -4.526 0.473 257 H VAL 32 H VAL 32 -15.684 -4.828 -1.043 258 HA VAL 32 HA VAL 32 -16.238 -2.222 -1.920 259 HB VAL 32 HB VAL 32 -17.899 -3.168 -3.502 260 HG11 VAL 32 1HG1 VAL 32 -16.346 -4.578 -4.760 261 HG12 VAL 32 2HG1 VAL 32 -15.315 -4.688 -3.333 262 HG13 VAL 32 3HG1 VAL 32 -15.577 -3.129 -4.116 263 HG21 VAL 32 3HG2 VAL 32 -17.304 -5.802 -2.147 264 HG22 VAL 32 1HG2 VAL 32 -18.224 -5.606 -3.638 265 HG23 VAL 32 2HG2 VAL 32 -18.848 -4.949 -2.125 266 H SER 33 H SER 33 -18.138 -4.358 0.110 267 HA SER 33 HA SER 33 -20.471 -2.810 0.146 268 HB2 SER 33 2HB SER 33 -20.457 -5.120 0.921 269 HB3 SER 33 1HB SER 33 -19.347 -4.703 2.226 270 HG SER 33 HG SER 33 -22.068 -4.105 1.914 271 H PHE 34 H PHE 34 -17.542 -2.740 2.147 272 HA PHE 34 HA PHE 34 -18.490 -0.810 3.980 273 HB2 PHE 34 2HB PHE 34 -16.543 -2.315 4.404 274 HB3 PHE 34 1HB PHE 34 -15.632 -1.439 3.186 275 HD1 PHE 34 2HD PHE 34 -17.193 -1.202 6.512 276 HD2 PHE 34 1HD PHE 34 -14.569 0.628 3.707 277 HE1 PHE 34 2HE PHE 34 -16.427 0.355 8.251 278 HE2 PHE 34 1HE PHE 34 -13.799 2.189 5.439 279 HZ PHE 34 HZ PHE 34 -14.728 2.055 7.716 280 H ALA 35 H ALA 35 -16.769 -0.635 0.934 281 HA ALA 35 HA ALA 35 -16.260 2.118 0.943 282 HB1 ALA 35 1HB ALA 35 -16.652 0.305 -1.433 283 HB2 ALA 35 2HB ALA 35 -15.136 0.541 -0.562 284 HB3 ALA 35 3HB ALA 35 -15.865 1.883 -1.444 285 H ILE 36 H ILE 36 -18.959 0.257 -0.416 286 HA ILE 36 HA ILE 36 -20.383 2.310 -1.636 287 HB ILE 36 HB ILE 36 -21.496 -0.150 -0.251 288 HG12 ILE 36 2HG1 ILE 36 -19.974 -0.701 -2.091 289 HG13 ILE 36 1HG1 ILE 36 -21.629 -1.133 -2.496 290 HG21 ILE 36 1HG2 ILE 36 -22.889 1.681 -2.200 291 HG22 ILE 36 2HG2 ILE 36 -23.268 1.485 -0.488 292 HG23 ILE 36 3HG2 ILE 36 -23.524 0.145 -1.607 293 HD11 ILE 36 3HD1 ILE 36 -21.804 0.883 -3.876 294 HD12 ILE 36 1HD1 ILE 36 -20.484 -0.168 -4.396 295 HD13 ILE 36 2HD1 ILE 36 -20.134 1.293 -3.474 296 H LYS 37 H LYS 37 -20.900 1.074 1.660 297 HA LYS 37 HA LYS 37 -22.844 3.045 2.250 298 HB2 LYS 37 2HB LYS 37 -22.526 2.344 4.667 299 HB3 LYS 37 1HB LYS 37 -23.060 1.120 3.529 300 HG2 LYS 37 2HG LYS 37 -20.856 0.156 3.476 301 HG3 LYS 37 1HG LYS 37 -20.233 1.447 4.505 302 HD2 LYS 37 2HD LYS 37 -21.393 0.698 6.364 303 HD3 LYS 37 1HD LYS 37 -22.539 -0.237 5.399 304 HE2 LYS 37 2HE LYS 37 -19.611 -0.886 5.742 305 HE3 LYS 37 1HE LYS 37 -20.924 -1.637 6.646 306 HZ1 LYS 37 3HZ LYS 37 -20.329 -3.035 4.778 307 HZ2 LYS 37 1HZ LYS 37 -20.594 -1.772 3.683 308 HZ3 LYS 37 2HZ LYS 37 -21.866 -2.401 4.547 309 H SER 38 H SER 38 -19.408 3.089 2.614 310 HA SER 38 HA SER 38 -19.556 5.432 4.294 311 HB2 SER 38 2HB SER 38 -17.137 4.084 3.092 312 HB3 SER 38 1HB SER 38 -17.141 5.259 4.414 313 HG SER 38 HG SER 38 -17.780 2.581 4.373 314 H GLY 39 H GLY 39 -19.971 4.956 1.073 315 HA2 GLY 39 2HA GLY 39 -20.083 6.390 -0.705 316 HA3 GLY 39 1HA GLY 39 -19.827 7.707 0.433 317 H ILE 40 H ILE 40 -17.758 4.998 -0.290 318 HA ILE 40 HA ILE 40 -15.512 6.796 -0.756 319 HB ILE 40 HB ILE 40 -15.735 3.808 -0.284 320 HG12 ILE 40 2HG1 ILE 40 -14.557 6.008 1.414 321 HG13 ILE 40 1HG1 ILE 40 -16.130 5.268 1.661 322 HG21 ILE 40 1HG2 ILE 40 -13.330 3.647 -0.229 323 HG22 ILE 40 2HG2 ILE 40 -13.160 5.361 -0.582 324 HG23 ILE 40 3HG2 ILE 40 -13.825 4.274 -1.802 325 HD11 ILE 40 3HD1 ILE 40 -14.465 4.427 3.217 326 HD12 ILE 40 1HD1 ILE 40 -13.459 3.890 1.873 327 HD13 ILE 40 2HD1 ILE 40 -15.033 3.138 2.163 328 H ASP 41 H ASP 41 -14.275 6.698 -2.677 329 HA ASP 41 HA ASP 41 -15.736 6.125 -5.048 330 HB2 ASP 41 2HB ASP 41 -12.823 6.866 -4.704 331 HB3 ASP 41 1HB ASP 41 -13.604 6.671 -6.262 332 H ILE 42 H ILE 42 -16.214 4.018 -4.999 333 HA ILE 42 HA ILE 42 -14.000 2.127 -5.199 334 HB ILE 42 HB ILE 42 -15.601 1.511 -3.506 335 HG12 ILE 42 2HG1 ILE 42 -16.291 -0.748 -4.244 336 HG13 ILE 42 1HG1 ILE 42 -15.949 -0.297 -5.907 337 HG21 ILE 42 1HG2 ILE 42 -17.952 0.995 -3.992 338 HG22 ILE 42 2HG2 ILE 42 -17.727 1.605 -5.632 339 HG23 ILE 42 3HG2 ILE 42 -17.556 2.693 -4.255 340 HD11 ILE 42 3HD1 ILE 42 -13.947 -0.464 -3.665 341 HD12 ILE 42 1HD1 ILE 42 -13.593 0.012 -5.327 342 HD13 ILE 42 2HD1 ILE 42 -14.152 -1.621 -4.982 343 H ASP 43 H ASP 43 -16.684 3.438 -6.981 344 HA ASP 43 HA ASP 43 -16.854 1.518 -9.035 345 HB2 ASP 43 2HB ASP 43 -18.141 3.089 -10.304 346 HB3 ASP 43 1HB ASP 43 -18.528 3.416 -8.623 347 H SER 44 H SER 44 -14.862 4.350 -8.635 348 HA SER 44 HA SER 44 -13.738 4.395 -11.197 349 HB2 SER 44 2HB SER 44 -12.586 5.416 -8.604 350 HB3 SER 44 1HB SER 44 -12.166 5.961 -10.229 351 HG SER 44 HG SER 44 -14.760 6.127 -10.086 352 H ALA 45 H ALA 45 -12.967 2.566 -8.325 353 HA ALA 45 HA ALA 45 -10.363 1.770 -9.214 354 HB1 ALA 45 1HB ALA 45 -10.916 1.840 -6.821 355 HB2 ALA 45 2HB ALA 45 -10.456 0.209 -7.305 356 HB3 ALA 45 3HB ALA 45 -12.154 0.613 -7.067 357 H LEU 46 H LEU 46 -13.550 0.289 -8.995 358 HA LEU 46 HA LEU 46 -12.966 -2.200 -10.144 359 HB2 LEU 46 2HB LEU 46 -15.536 -0.626 -10.264 360 HB3 LEU 46 1HB LEU 46 -15.379 -2.337 -10.570 361 HG LEU 46 HG LEU 46 -14.940 -0.954 -7.920 362 HD11 LEU 46 1HD1 LEU 46 -17.274 -1.044 -8.543 363 HD12 LEU 46 2HD1 LEU 46 -16.944 -2.160 -7.218 364 HD13 LEU 46 3HD1 LEU 46 -17.144 -2.774 -8.861 365 HD21 LEU 46 3HD2 LEU 46 -14.764 -3.223 -6.986 366 HD22 LEU 46 1HD2 LEU 46 -13.466 -2.888 -8.133 367 HD23 LEU 46 2HD2 LEU 46 -14.832 -3.890 -8.617 368 H ASP 47 H ASP 47 -14.010 0.834 -11.531 369 HA ASP 47 HA ASP 47 -14.344 -0.013 -14.212 370 HB2 ASP 47 2HB ASP 47 -15.295 2.051 -13.094 371 HB3 ASP 47 1HB ASP 47 -13.709 2.781 -13.279 372 H ARG 48 H ARG 48 -11.551 0.867 -12.399 373 HA ARG 48 HA ARG 48 -9.989 1.149 -14.824 374 HB2 ARG 48 2HB ARG 48 -9.307 1.511 -11.954 375 HB3 ARG 48 1HB ARG 48 -8.069 1.518 -13.212 376 HG2 ARG 48 2HG ARG 48 -9.272 3.417 -14.265 377 HG3 ARG 48 1HG ARG 48 -10.388 3.406 -12.894 378 HD2 ARG 48 2HD ARG 48 -8.546 3.733 -11.385 379 HD3 ARG 48 1HD ARG 48 -7.419 3.751 -12.734 380 HE ARG 48 HE ARG 48 -9.551 5.725 -12.747 381 HH11 ARG 48 1HH1 ARG 48 -6.100 5.009 -12.398 382 HH12 ARG 48 2HH1 ARG 48 -5.640 6.633 -12.196 383 HH21 ARG 48 1HH2 ARG 48 -8.922 7.952 -12.518 384 HH22 ARG 48 2HH2 ARG 48 -7.287 8.389 -12.318 385 H GLY 49 H GLY 49 -10.972 -1.345 -12.854 386 HA2 GLY 49 2HA GLY 49 -10.355 -3.478 -14.020 387 HA3 GLY 49 1HA GLY 49 -8.705 -2.932 -13.881 388 H VAL 50 H VAL 50 -10.296 -2.128 -11.024 389 HA VAL 50 HA VAL 50 -9.033 -4.301 -9.652 390 HB VAL 50 HB VAL 50 -10.964 -2.187 -8.589 391 HG11 VAL 50 1HG1 VAL 50 -10.974 -4.179 -7.160 392 HG12 VAL 50 2HG1 VAL 50 -10.186 -2.824 -6.351 393 HG13 VAL 50 3HG1 VAL 50 -9.215 -4.116 -7.055 394 HG21 VAL 50 3HG2 VAL 50 -7.961 -2.387 -8.433 395 HG22 VAL 50 1HG2 VAL 50 -8.941 -1.163 -7.631 396 HG23 VAL 50 2HG2 VAL 50 -8.883 -1.233 -9.392 397 H ILE 51 H ILE 51 -9.883 -6.178 -9.024 398 HA ILE 51 HA ILE 51 -12.643 -6.684 -9.876 399 HB ILE 51 HB ILE 51 -12.040 -9.080 -9.999 400 HG12 ILE 51 2HG1 ILE 51 -9.201 -8.133 -9.476 401 HG13 ILE 51 1HG1 ILE 51 -10.185 -9.043 -8.340 402 HG21 ILE 51 1HG2 ILE 51 -11.947 -7.720 -11.998 403 HG22 ILE 51 2HG2 ILE 51 -10.657 -8.926 -12.026 404 HG23 ILE 51 3HG2 ILE 51 -10.285 -7.249 -11.634 405 HD11 ILE 51 3HD1 ILE 51 -8.572 -10.474 -9.464 406 HD12 ILE 51 1HD1 ILE 51 -9.234 -10.007 -11.030 407 HD13 ILE 51 2HD1 ILE 51 -10.220 -10.933 -9.897 408 H VAL 52 H VAL 52 -13.977 -8.054 -8.612 409 HA VAL 52 HA VAL 52 -13.455 -7.732 -5.756 410 HB VAL 52 HB VAL 52 -16.058 -8.500 -7.104 411 HG11 VAL 52 1HG1 VAL 52 -15.499 -7.521 -4.307 412 HG12 VAL 52 2HG1 VAL 52 -15.939 -9.161 -4.773 413 HG13 VAL 52 3HG1 VAL 52 -17.097 -7.845 -4.979 414 HG21 VAL 52 3HG2 VAL 52 -15.149 -5.767 -6.198 415 HG22 VAL 52 1HG2 VAL 52 -16.779 -6.170 -6.740 416 HG23 VAL 52 2HG2 VAL 52 -15.421 -6.283 -7.860 417 H ARG 53 H ARG 53 -12.910 -9.444 -4.617 418 HA ARG 53 HA ARG 53 -13.551 -12.122 -5.667 419 HB2 ARG 53 2HB ARG 53 -11.184 -11.658 -5.858 420 HB3 ARG 53 1HB ARG 53 -11.122 -11.128 -4.197 421 HG2 ARG 53 2HG ARG 53 -10.084 -13.257 -4.310 422 HG3 ARG 53 1HG ARG 53 -11.629 -13.484 -3.507 423 HD2 ARG 53 2HD ARG 53 -11.320 -13.944 -6.450 424 HD3 ARG 53 1HD ARG 53 -10.853 -15.181 -5.289 425 HE ARG 53 HE ARG 53 -13.283 -14.762 -4.488 426 HH11 ARG 53 1HH1 ARG 53 -12.074 -15.053 -7.804 427 HH12 ARG 53 2HH1 ARG 53 -13.501 -15.697 -8.446 428 HH21 ARG 53 1HH2 ARG 53 -15.269 -15.729 -5.353 429 HH22 ARG 53 2HH2 ARG 53 -15.381 -16.084 -7.005 430 H ALA 54 H ALA 54 -14.906 -13.093 -4.381 431 HA ALA 54 HA ALA 54 -15.019 -12.446 -1.549 432 HB1 ALA 54 1HB ALA 54 -16.937 -14.024 -1.535 433 HB2 ALA 54 2HB ALA 54 -16.643 -14.359 -3.242 434 HB3 ALA 54 3HB ALA 54 -17.149 -12.750 -2.738 435 H PHE 55 H PHE 55 -14.508 -14.034 -0.015 436 HA PHE 55 HA PHE 55 -12.382 -15.728 -0.826 437 HB2 PHE 55 2HB PHE 55 -12.528 -14.490 1.379 438 HB3 PHE 55 1HB PHE 55 -13.803 -15.598 1.849 439 HD1 PHE 55 2HD PHE 55 -10.824 -16.732 -0.029 440 HD2 PHE 55 1HD PHE 55 -12.656 -16.345 3.798 441 HE1 PHE 55 2HE PHE 55 -9.133 -18.232 0.938 442 HE2 PHE 55 1HE PHE 55 -10.968 -17.825 4.758 443 HZ PHE 55 HZ PHE 55 -9.202 -18.784 3.329 444 H SER 56 H SER 56 -12.793 -17.517 -1.889 445 HA SER 56 HA SER 56 -15.381 -18.707 -1.870 446 HB2 SER 56 2HB SER 56 -12.885 -19.549 -3.331 447 HB3 SER 56 1HB SER 56 -14.537 -20.037 -3.703 448 HG SER 56 HG SER 56 -14.845 -17.585 -3.764 449 H HIS 57 H HIS 57 -13.255 -18.977 0.389 450 HA HIS 57 HA HIS 57 -13.689 -21.832 0.833 451 HB2 HIS 57 2HB HIS 57 -11.181 -20.254 1.560 452 HB3 HIS 57 1HB HIS 57 -11.486 -21.930 2.004 453 HD1 HIS 57 1HD HIS 57 -11.069 -23.726 0.175 454 HD2 HIS 57 2HD HIS 57 -10.480 -19.831 -1.145 455 HE1 HIS 57 1HE HIS 57 -9.976 -23.932 -2.062 456 HE2 HIS 57 2HE HIS 57 -9.965 -21.588 -2.954 457 H LYS 58 H LYS 58 -13.796 -22.262 3.210 458 HA LYS 58 HA LYS 58 -15.612 -20.498 4.378 459 HB2 LYS 58 2HB LYS 58 -15.540 -22.917 4.857 460 HB3 LYS 58 1HB LYS 58 -14.023 -22.703 5.710 461 HG2 LYS 58 2HG LYS 58 -15.873 -22.925 7.281 462 HG3 LYS 58 1HG LYS 58 -15.163 -21.315 7.391 463 HD2 LYS 58 2HD LYS 58 -16.963 -20.424 5.990 464 HD3 LYS 58 1HD LYS 58 -17.674 -22.032 5.867 465 HE2 LYS 58 2HE LYS 58 -18.081 -22.055 8.263 466 HE3 LYS 58 1HE LYS 58 -17.271 -20.500 8.431 467 HZ1 LYS 58 3HZ LYS 58 -18.996 -19.478 7.103 468 HZ2 LYS 58 1HZ LYS 58 -19.689 -20.266 8.411 469 HZ3 LYS 58 2HZ LYS 58 -19.778 -20.944 6.878 470 HA PRO 59 HA PRO 59 -12.593 -17.543 5.952 471 HB2 PRO 59 2HB PRO 59 -14.974 -16.199 7.039 472 HB3 PRO 59 1HB PRO 59 -13.781 -15.589 5.893 473 HG2 PRO 59 2HG PRO 59 -16.279 -16.203 5.130 474 HG3 PRO 59 1HG PRO 59 -14.889 -16.473 4.068 475 HD2 PRO 59 2HD PRO 59 -16.402 -18.436 5.740 476 HD3 PRO 59 1HD PRO 59 -15.772 -18.589 4.083 477 HA PRO 60 HA PRO 60 -12.757 -18.990 10.205 478 HB2 PRO 60 2HB PRO 60 -10.230 -18.340 10.852 479 HB3 PRO 60 1HB PRO 60 -10.588 -19.749 9.849 480 HG2 PRO 60 2HG PRO 60 -9.605 -17.054 9.050 481 HG3 PRO 60 1HG PRO 60 -9.150 -18.643 8.416 482 HD2 PRO 60 2HD PRO 60 -10.937 -16.917 7.205 483 HD3 PRO 60 1HD PRO 60 -10.886 -18.671 6.935 484 H LYS 61 H LYS 61 -12.188 -17.812 12.311 485 HA LYS 61 HA LYS 61 -12.975 -15.031 11.952 486 HB2 LYS 61 2HB LYS 61 -13.553 -15.010 14.314 487 HB3 LYS 61 1HB LYS 61 -14.366 -16.324 13.482 488 HG2 LYS 61 2HG LYS 61 -12.890 -17.936 14.429 489 HG3 LYS 61 1HG LYS 61 -11.852 -16.674 15.099 490 HD2 LYS 61 2HD LYS 61 -13.268 -17.632 16.836 491 HD3 LYS 61 1HD LYS 61 -13.694 -15.948 16.536 492 HE2 LYS 61 2HE LYS 61 -15.577 -16.636 15.182 493 HE3 LYS 61 1HE LYS 61 -15.150 -18.333 15.402 494 HZ1 LYS 61 3HZ LYS 61 -15.548 -18.042 17.791 495 HZ2 LYS 61 1HZ LYS 61 -16.913 -17.670 16.875 496 HZ3 LYS 61 2HZ LYS 61 -15.982 -16.435 17.525 497 H VAL 62 H VAL 62 -11.880 -13.371 12.828 498 HA VAL 62 HA VAL 62 -9.299 -13.926 14.057 499 HB VAL 62 HB VAL 62 -9.946 -11.623 12.147 500 HG11 VAL 62 1HG1 VAL 62 -7.578 -11.051 12.320 501 HG12 VAL 62 2HG1 VAL 62 -7.335 -12.368 13.464 502 HG13 VAL 62 3HG1 VAL 62 -8.356 -11.000 13.905 503 HG21 VAL 62 3HG2 VAL 62 -8.161 -14.023 11.712 504 HG22 VAL 62 1HG2 VAL 62 -8.310 -12.650 10.615 505 HG23 VAL 62 2HG2 VAL 62 -9.695 -13.703 10.904 506 H GLY 63 H GLY 63 -9.341 -13.153 16.060 507 HA2 GLY 63 2HA GLY 63 -11.677 -11.637 16.838 508 HA3 GLY 63 1HA GLY 63 -10.544 -12.433 17.913 509 H ASN 64 H ASN 64 -8.449 -10.915 16.109 510 HA ASN 64 HA ASN 64 -8.546 -8.598 17.881 511 HB2 ASN 64 2HB ASN 64 -6.188 -8.255 17.534 512 HB3 ASN 64 1HB ASN 64 -6.428 -9.974 17.732 513 HD21 ASN 64 1HD2 ASN 64 -5.341 -7.441 15.577 514 HD22 ASN 64 2HD2 ASN 64 -4.821 -8.506 14.352 515 H LEU 65 H LEU 65 -8.756 -9.314 14.498 516 HA LEU 65 HA LEU 65 -8.914 -6.447 13.921 517 HB2 LEU 65 2HB LEU 65 -8.339 -8.785 12.128 518 HB3 LEU 65 1HB LEU 65 -8.599 -7.152 11.551 519 HG LEU 65 HG LEU 65 -6.381 -7.982 13.408 520 HD11 LEU 65 1HD1 LEU 65 -6.308 -7.335 10.469 521 HD12 LEU 65 2HD1 LEU 65 -6.182 -8.948 11.172 522 HD13 LEU 65 3HD1 LEU 65 -4.936 -7.749 11.504 523 HD21 LEU 65 3HD2 LEU 65 -6.973 -5.392 11.981 524 HD22 LEU 65 1HD2 LEU 65 -5.477 -5.758 12.847 525 HD23 LEU 65 2HD2 LEU 65 -6.998 -5.676 13.720 526 HA PRO 66 HA PRO 66 -13.231 -6.934 12.860 527 HB2 PRO 66 2HB PRO 66 -12.738 -5.110 10.584 528 HB3 PRO 66 1HB PRO 66 -13.845 -4.909 11.943 529 HG2 PRO 66 2HG PRO 66 -11.612 -3.449 11.743 530 HG3 PRO 66 1HG PRO 66 -12.209 -4.014 13.314 531 HD2 PRO 66 2HD PRO 66 -9.973 -5.087 11.642 532 HD3 PRO 66 1HD PRO 66 -10.077 -4.881 13.405 533 H GLN 67 H GLN 67 -14.502 -7.906 11.164 534 HA GLN 67 HA GLN 67 -13.016 -9.894 9.850 535 HB2 GLN 67 2HB GLN 67 -15.319 -10.217 10.680 536 HB3 GLN 67 1HB GLN 67 -15.903 -9.199 9.372 537 HG2 GLN 67 2HG GLN 67 -15.076 -10.777 7.741 538 HG3 GLN 67 1HG GLN 67 -14.420 -11.789 9.026 539 HE21 GLN 67 1HE2 GLN 67 -16.735 -11.313 10.764 540 HE22 GLN 67 2HE2 GLN 67 -18.003 -12.266 10.091 541 H TYR 68 H TYR 68 -14.364 -6.869 8.700 542 HA TYR 68 HA TYR 68 -14.031 -7.463 5.999 543 HB2 TYR 68 2HB TYR 68 -14.008 -4.931 5.601 544 HB3 TYR 68 1HB TYR 68 -15.414 -5.613 6.380 545 HD1 TYR 68 1HD TYR 68 -12.248 -3.780 7.125 546 HD2 TYR 68 2HD TYR 68 -16.194 -4.728 8.390 547 HE1 TYR 68 1HE TYR 68 -12.077 -2.106 8.904 548 HE2 TYR 68 2HE TYR 68 -16.029 -3.055 10.179 549 HH TYR 68 HH TYR 68 -13.563 -0.747 10.251 550 H GLU 69 H GLU 69 -11.635 -6.146 8.233 551 HA GLU 69 HA GLU 69 -9.606 -5.811 6.241 552 HB2 GLU 69 2HB GLU 69 -9.313 -6.299 9.223 553 HB3 GLU 69 1HB GLU 69 -8.045 -5.740 8.154 554 HG2 GLU 69 2HG GLU 69 -10.563 -4.217 8.787 555 HG3 GLU 69 1HG GLU 69 -9.016 -3.980 9.584 556 H SER 70 H SER 70 -10.591 -8.326 8.467 557 HA SER 70 HA SER 70 -8.483 -10.118 8.068 558 HB2 SER 70 2HB SER 70 -11.317 -10.709 8.912 559 HB3 SER 70 1HB SER 70 -9.908 -11.733 9.189 560 HG SER 70 HG SER 70 -10.573 -9.265 10.400 561 H GLU 71 H GLU 71 -11.595 -9.801 6.378 562 HA GLU 71 HA GLU 71 -11.422 -12.126 4.804 563 HB2 GLU 71 2HB GLU 71 -13.496 -10.783 5.028 564 HB3 GLU 71 1HB GLU 71 -12.745 -9.472 4.135 565 HG2 GLU 71 2HG GLU 71 -12.678 -10.810 2.130 566 HG3 GLU 71 1HG GLU 71 -13.248 -12.221 3.009 567 H ALA 72 H ALA 72 -10.201 -8.850 4.328 568 HA ALA 72 HA ALA 72 -9.145 -9.244 1.745 569 HB1 ALA 72 1HB ALA 72 -9.477 -7.024 2.742 570 HB2 ALA 72 2HB ALA 72 -7.823 -7.246 2.172 571 HB3 ALA 72 3HB ALA 72 -8.183 -7.357 3.895 572 H ILE 73 H ILE 73 -7.669 -9.556 4.945 573 HA ILE 73 HA ILE 73 -5.109 -10.353 4.140 574 HB ILE 73 HB ILE 73 -6.591 -11.331 6.608 575 HG12 ILE 73 2HG1 ILE 73 -4.721 -8.972 6.288 576 HG13 ILE 73 1HG1 ILE 73 -6.466 -8.865 6.510 577 HG21 ILE 73 1HG2 ILE 73 -4.646 -12.703 6.152 578 HG22 ILE 73 2HG2 ILE 73 -4.333 -11.663 7.549 579 HG23 ILE 73 3HG2 ILE 73 -3.640 -11.263 5.983 580 HD11 ILE 73 3HD1 ILE 73 -5.263 -8.405 8.577 581 HD12 ILE 73 1HD1 ILE 73 -4.486 -9.983 8.488 582 HD13 ILE 73 2HD1 ILE 73 -6.227 -9.873 8.730 583 H MET 74 H MET 74 -7.996 -12.298 4.724 584 HA MET 74 HA MET 74 -6.762 -14.791 4.279 585 HB2 MET 74 2HB MET 74 -9.655 -14.006 4.115 586 HB3 MET 74 1HB MET 74 -9.085 -15.655 3.956 587 HG2 MET 74 2HG MET 74 -8.625 -13.941 6.390 588 HG3 MET 74 1HG MET 74 -9.993 -15.021 6.205 589 HE1 MET 74 3HE MET 74 -5.668 -16.243 7.242 590 HE2 MET 74 1HE MET 74 -6.237 -14.602 7.036 591 HE3 MET 74 2HE MET 74 -5.838 -15.620 5.626 592 H VAL 75 H VAL 75 -8.429 -12.646 2.040 593 HA VAL 75 HA VAL 75 -8.216 -14.469 -0.118 594 HB VAL 75 HB VAL 75 -8.567 -11.447 -0.146 595 HG11 VAL 75 1HG1 VAL 75 -9.260 -11.695 -2.490 596 HG12 VAL 75 2HG1 VAL 75 -8.842 -13.410 -2.426 597 HG13 VAL 75 3HG1 VAL 75 -7.581 -12.189 -2.267 598 HG21 VAL 75 3HG2 VAL 75 -10.509 -13.721 -0.530 599 HG22 VAL 75 1HG2 VAL 75 -10.900 -12.015 -0.726 600 HG23 VAL 75 2HG2 VAL 75 -10.424 -12.635 0.855 601 H ALA 76 H ALA 76 -6.112 -11.940 1.104 602 HA ALA 76 HA ALA 76 -4.174 -12.090 -0.947 603 HB1 ALA 76 1HB ALA 76 -3.810 -11.301 1.936 604 HB2 ALA 76 2HB ALA 76 -4.315 -10.227 0.633 605 HB3 ALA 76 3HB ALA 76 -2.699 -10.937 0.615 606 H PHE 77 H PHE 77 -4.697 -13.914 1.960 607 HA PHE 77 HA PHE 77 -2.250 -15.380 1.898 608 HB2 PHE 77 2HB PHE 77 -3.598 -15.080 3.955 609 HB3 PHE 77 1HB PHE 77 -4.891 -16.023 3.239 610 HD1 PHE 77 2HD PHE 77 -1.460 -16.173 4.573 611 HD2 PHE 77 1HD PHE 77 -4.852 -18.398 3.292 612 HE1 PHE 77 2HE PHE 77 -0.485 -18.214 5.536 613 HE2 PHE 77 1HE PHE 77 -3.880 -20.440 4.256 614 HZ PHE 77 HZ PHE 77 -1.691 -20.349 5.376 615 H GLU 78 H GLU 78 -5.462 -15.863 0.591 616 HA GLU 78 HA GLU 78 -5.154 -18.562 -0.199 617 HB2 GLU 78 2HB GLU 78 -7.304 -17.234 0.179 618 HB3 GLU 78 1HB GLU 78 -7.015 -16.478 -1.368 619 HG2 GLU 78 2HG GLU 78 -7.293 -19.455 -1.101 620 HG3 GLU 78 1HG GLU 78 -8.693 -18.405 -1.220 621 H LEU 79 H LEU 79 -4.813 -15.489 -1.898 622 HA LEU 79 HA LEU 79 -4.056 -16.773 -4.369 623 HB2 LEU 79 2HB LEU 79 -4.073 -13.863 -3.591 624 HB3 LEU 79 1HB LEU 79 -3.800 -14.479 -5.208 625 HG LEU 79 HG LEU 79 -6.357 -14.826 -3.648 626 HD11 LEU 79 1HD1 LEU 79 -7.289 -13.184 -5.205 627 HD12 LEU 79 2HD1 LEU 79 -5.689 -12.945 -5.909 628 HD13 LEU 79 3HD1 LEU 79 -5.989 -12.493 -4.234 629 HD21 LEU 79 3HD2 LEU 79 -6.018 -16.617 -5.243 630 HD22 LEU 79 1HD2 LEU 79 -5.643 -15.446 -6.513 631 HD23 LEU 79 2HD2 LEU 79 -7.264 -15.515 -5.828 632 H ASN 80 H ASN 80 -2.456 -15.713 -1.575 633 HA ASN 80 HA ASN 80 -0.401 -15.220 -0.937 634 HB2 ASN 80 2HB ASN 80 0.204 -17.497 -1.887 635 HB3 ASN 80 1HB ASN 80 0.566 -16.711 -3.415 636 HD21 ASN 80 1HD2 ASN 80 1.639 -17.233 -0.147 637 HD22 ASN 80 2HD2 ASN 80 3.232 -16.606 -0.356 638 H ALA 81 H ALA 81 -1.135 -13.230 -1.367 639 HA ALA 81 HA ALA 81 0.070 -11.875 -3.681 640 HB1 ALA 81 1HB ALA 81 -2.323 -12.239 -3.987 641 HB2 ALA 81 2HB ALA 81 -1.931 -10.527 -3.827 642 HB3 ALA 81 3HB ALA 81 -2.641 -11.400 -2.469 643 H LEU 82 H LEU 82 -0.126 -9.426 -3.274 644 HA LEU 82 HA LEU 82 1.124 -8.883 -0.714 645 HB2 LEU 82 2HB LEU 82 0.542 -7.076 -3.063 646 HB3 LEU 82 1HB LEU 82 1.384 -6.588 -1.610 647 HG LEU 82 HG LEU 82 2.355 -8.539 -3.695 648 HD11 LEU 82 1HD1 LEU 82 2.520 -6.196 -4.321 649 HD12 LEU 82 2HD1 LEU 82 4.108 -6.903 -4.002 650 HD13 LEU 82 3HD1 LEU 82 3.351 -5.860 -2.799 651 HD21 LEU 82 3HD2 LEU 82 3.577 -7.716 -1.069 652 HD22 LEU 82 1HD2 LEU 82 4.396 -8.632 -2.342 653 HD23 LEU 82 2HD2 LEU 82 3.003 -9.324 -1.513 654 H LEU 83 H LEU 83 0.135 -7.886 0.888 655 HA LEU 83 HA LEU 83 -2.647 -7.197 0.369 656 HB2 LEU 83 2HB LEU 83 -2.240 -8.805 2.161 657 HB3 LEU 83 1HB LEU 83 -1.281 -7.613 3.026 658 HG LEU 83 HG LEU 83 -3.345 -6.167 3.073 659 HD11 LEU 83 1HD1 LEU 83 -4.583 -7.216 1.282 660 HD12 LEU 83 2HD1 LEU 83 -5.493 -7.276 2.789 661 HD13 LEU 83 3HD1 LEU 83 -4.672 -8.719 2.203 662 HD21 LEU 83 3HD2 LEU 83 -4.349 -7.374 4.930 663 HD22 LEU 83 1HD2 LEU 83 -2.589 -7.384 5.020 664 HD23 LEU 83 2HD2 LEU 83 -3.448 -8.824 4.470 665 H ILE 84 H ILE 84 -3.172 -5.163 0.230 666 HA ILE 84 HA ILE 84 -1.256 -3.150 1.142 667 HB ILE 84 HB ILE 84 -3.663 -2.801 -0.687 668 HG12 ILE 84 2HG1 ILE 84 -0.729 -3.031 -1.421 669 HG13 ILE 84 1HG1 ILE 84 -1.923 -4.299 -1.655 670 HG21 ILE 84 1HG2 ILE 84 -1.319 -0.983 -0.080 671 HG22 ILE 84 2HG2 ILE 84 -2.981 -0.746 0.458 672 HG23 ILE 84 3HG2 ILE 84 -2.589 -0.658 -1.260 673 HD11 ILE 84 3HD1 ILE 84 -3.129 -2.857 -3.220 674 HD12 ILE 84 1HD1 ILE 84 -1.458 -3.115 -3.724 675 HD13 ILE 84 2HD1 ILE 84 -1.926 -1.593 -2.970 676 H ALA 85 H ALA 85 -1.671 -2.351 3.083 677 HA ALA 85 HA ALA 85 -4.404 -1.717 3.856 678 HB1 ALA 85 1HB ALA 85 -4.038 -3.969 4.754 679 HB2 ALA 85 2HB ALA 85 -4.118 -2.780 6.054 680 HB3 ALA 85 3HB ALA 85 -2.557 -3.420 5.539 681 H GLU 86 H GLU 86 -4.398 -0.249 5.712 682 HA GLU 86 HA GLU 86 -1.897 1.289 5.754 683 HB2 GLU 86 2HB GLU 86 -4.747 2.143 5.981 684 HB3 GLU 86 1HB GLU 86 -3.476 3.192 6.575 685 HG2 GLU 86 2HG GLU 86 -3.627 2.108 3.769 686 HG3 GLU 86 1HG GLU 86 -4.246 3.682 4.261 687 H ASP 87 H ASP 87 -4.062 -0.410 7.807 688 HA ASP 87 HA ASP 87 -3.041 0.955 10.154 689 HB2 ASP 87 2HB ASP 87 -5.388 0.412 10.225 690 HB3 ASP 87 1HB ASP 87 -5.031 -1.297 9.979 691 H LYS 88 H LYS 88 -1.736 0.229 11.633 692 HA LYS 88 HA LYS 88 0.347 -1.494 10.859 693 HB2 LYS 88 2HB LYS 88 -0.274 -0.564 13.678 694 HB3 LYS 88 1HB LYS 88 1.186 -1.369 13.183 695 HG2 LYS 88 2HG LYS 88 1.722 0.923 13.395 696 HG3 LYS 88 1HG LYS 88 1.661 0.588 11.671 697 HD2 LYS 88 2HD LYS 88 0.611 2.730 12.208 698 HD3 LYS 88 1HD LYS 88 -0.561 1.588 11.553 699 HE2 LYS 88 2HE LYS 88 -1.339 1.090 13.841 700 HE3 LYS 88 1HE LYS 88 -0.166 2.231 14.487 701 HZ1 LYS 88 3HZ LYS 88 -2.430 2.929 12.680 702 HZ2 LYS 88 1HZ LYS 88 -1.334 4.005 13.362 703 HZ3 LYS 88 2HZ LYS 88 -2.416 3.139 14.331 704 H ASP 89 H ASP 89 -2.518 -2.109 12.873 705 HA ASP 89 HA ASP 89 -1.454 -4.554 13.914 706 HB2 ASP 89 2HB ASP 89 -3.210 -3.086 15.058 707 HB3 ASP 89 1HB ASP 89 -4.363 -3.727 13.903 708 H VAL 90 H VAL 90 -3.512 -3.621 11.280 709 HA VAL 90 HA VAL 90 -4.261 -6.231 10.426 710 HB VAL 90 HB VAL 90 -3.917 -3.758 8.700 711 HG11 VAL 90 1HG1 VAL 90 -4.086 -5.819 7.395 712 HG12 VAL 90 2HG1 VAL 90 -5.526 -4.820 7.197 713 HG13 VAL 90 3HG1 VAL 90 -5.575 -6.240 8.245 714 HG21 VAL 90 3HG2 VAL 90 -6.376 -4.767 10.098 715 HG22 VAL 90 1HG2 VAL 90 -6.283 -3.368 9.032 716 HG23 VAL 90 2HG2 VAL 90 -5.423 -3.359 10.578 717 H ILE 91 H ILE 91 -1.762 -4.002 9.335 718 HA ILE 91 HA ILE 91 -0.566 -5.603 7.390 719 HB ILE 91 HB ILE 91 0.649 -3.412 9.094 720 HG12 ILE 91 2HG1 ILE 91 -0.420 -3.304 6.273 721 HG13 ILE 91 1HG1 ILE 91 -1.337 -2.817 7.697 722 HG21 ILE 91 1HG2 ILE 91 1.691 -4.636 6.535 723 HG22 ILE 91 2HG2 ILE 91 2.423 -4.760 8.135 724 HG23 ILE 91 3HG2 ILE 91 2.345 -3.198 7.318 725 HD11 ILE 91 3HD1 ILE 91 -0.391 -0.905 6.553 726 HD12 ILE 91 1HD1 ILE 91 1.224 -1.594 6.720 727 HD13 ILE 91 2HD1 ILE 91 0.325 -1.091 8.153 728 H ASN 92 H ASN 92 0.146 -5.285 10.830 729 HA ASN 92 HA ASN 92 2.420 -6.994 10.750 730 HB2 ASN 92 2HB ASN 92 1.942 -5.310 12.573 731 HB3 ASN 92 1HB ASN 92 0.699 -6.415 13.153 732 HD21 ASN 92 1HD2 ASN 92 1.663 -6.854 15.072 733 HD22 ASN 92 2HD2 ASN 92 3.119 -7.767 15.230 734 H LYS 93 H LYS 93 -1.018 -7.482 11.481 735 HA LYS 93 HA LYS 93 -0.708 -10.096 12.457 736 HB2 LYS 93 2HB LYS 93 -2.729 -8.543 12.760 737 HB3 LYS 93 1HB LYS 93 -3.212 -9.045 11.146 738 HG2 LYS 93 2HG LYS 93 -4.398 -10.364 12.763 739 HG3 LYS 93 1HG LYS 93 -3.218 -11.395 11.932 740 HD2 LYS 93 2HD LYS 93 -1.628 -10.926 13.838 741 HD3 LYS 93 1HD LYS 93 -2.969 -10.155 14.665 742 HE2 LYS 93 2HE LYS 93 -4.156 -12.227 14.723 743 HE3 LYS 93 1HE LYS 93 -2.932 -12.991 13.698 744 HZ1 LYS 93 3HZ LYS 93 -1.299 -12.395 15.483 745 HZ2 LYS 93 1HZ LYS 93 -2.438 -13.574 15.946 746 HZ3 LYS 93 2HZ LYS 93 -2.609 -11.987 16.462 747 H ALA 94 H ALA 94 -1.415 -8.784 9.288 748 HA ALA 94 HA ALA 94 -1.840 -11.199 7.945 749 HB1 ALA 94 1HB ALA 94 -1.331 -9.924 5.916 750 HB2 ALA 94 2HB ALA 94 -0.675 -8.627 6.918 751 HB3 ALA 94 3HB ALA 94 -2.389 -9.024 7.001 752 H LYS 95 H LYS 95 1.112 -9.367 8.628 753 HA LYS 95 HA LYS 95 2.722 -11.204 7.205 754 HB2 LYS 95 2HB LYS 95 3.416 -8.920 9.020 755 HB3 LYS 95 1HB LYS 95 4.684 -9.985 8.389 756 HG2 LYS 95 2HG LYS 95 3.782 -9.408 6.088 757 HG3 LYS 95 1HG LYS 95 2.802 -8.181 6.882 758 HD2 LYS 95 2HD LYS 95 5.814 -8.331 7.029 759 HD3 LYS 95 1HD LYS 95 4.925 -7.315 5.901 760 HE2 LYS 95 2HE LYS 95 3.934 -6.107 7.764 761 HE3 LYS 95 1HE LYS 95 4.775 -7.155 8.906 762 HZ1 LYS 95 3HZ LYS 95 6.126 -5.356 6.952 763 HZ2 LYS 95 1HZ LYS 95 6.887 -6.303 8.103 764 HZ3 LYS 95 2HZ LYS 95 5.919 -5.023 8.573 765 H GLU 96 H GLU 96 1.488 -11.236 10.405 766 HA GLU 96 HA GLU 96 3.295 -13.223 11.396 767 HB2 GLU 96 2HB GLU 96 0.431 -12.693 12.232 768 HB3 GLU 96 1HB GLU 96 1.540 -13.751 13.077 769 HG2 GLU 96 2HG GLU 96 3.000 -11.731 13.440 770 HG3 GLU 96 1HG GLU 96 1.657 -10.764 12.825 771 H LEU 97 H LEU 97 0.400 -13.210 9.503 772 HA LEU 97 HA LEU 97 0.090 -16.066 9.547 773 HB2 LEU 97 2HB LEU 97 -1.234 -14.001 7.793 774 HB3 LEU 97 1HB LEU 97 -1.699 -15.687 7.904 775 HG LEU 97 HG LEU 97 -1.915 -13.632 10.110 776 HD11 LEU 97 1HD1 LEU 97 -4.311 -13.924 9.845 777 HD12 LEU 97 2HD1 LEU 97 -4.029 -15.042 8.510 778 HD13 LEU 97 3HD1 LEU 97 -3.557 -13.348 8.355 779 HD21 LEU 97 3HD2 LEU 97 -3.085 -15.390 11.365 780 HD22 LEU 97 1HD2 LEU 97 -1.409 -15.825 11.041 781 HD23 LEU 97 2HD2 LEU 97 -2.707 -16.545 10.090 782 H GLY 98 H GLY 98 1.960 -13.862 7.858 783 HA2 GLY 98 2HA GLY 98 3.843 -14.684 6.617 784 HA3 GLY 98 1HA GLY 98 2.845 -16.020 6.070 785 H VAL 99 H VAL 99 1.058 -13.234 5.941 786 HA VAL 99 HA VAL 99 1.272 -13.128 3.053 787 HB VAL 99 HB VAL 99 -0.455 -11.531 4.963 788 HG11 VAL 99 1HG1 VAL 99 -0.182 -10.413 2.811 789 HG12 VAL 99 2HG1 VAL 99 -1.828 -11.013 3.005 790 HG13 VAL 99 3HG1 VAL 99 -0.691 -11.884 1.977 791 HG21 VAL 99 3HG2 VAL 99 -1.145 -13.993 3.369 792 HG22 VAL 99 1HG2 VAL 99 -2.285 -13.036 4.314 793 HG23 VAL 99 2HG2 VAL 99 -0.974 -13.898 5.121 794 H ASN 100 H ASN 100 2.344 -11.496 1.984 795 HA ASN 100 HA ASN 100 3.858 -9.701 3.645 796 HB2 ASN 100 2HB ASN 100 4.854 -10.694 1.541 797 HB3 ASN 100 1HB ASN 100 3.757 -9.674 0.617 798 HD21 ASN 100 1HD2 ASN 100 5.563 -8.636 -0.316 799 HD22 ASN 100 2HD2 ASN 100 6.427 -7.418 0.544 800 H ALA 101 H ALA 101 2.526 -8.409 4.596 801 HA ALA 101 HA ALA 101 0.650 -6.801 3.071 802 HB1 ALA 101 1HB ALA 101 -0.124 -6.052 5.286 803 HB2 ALA 101 2HB ALA 101 1.122 -7.060 6.040 804 HB3 ALA 101 3HB ALA 101 -0.170 -7.801 5.103 805 H ILE 102 H ILE 102 1.008 -4.775 2.587 806 HA ILE 102 HA ILE 102 3.172 -3.416 3.905 807 HB ILE 102 HB ILE 102 3.772 -2.394 1.621 808 HG12 ILE 102 2HG1 ILE 102 3.570 -4.114 -0.290 809 HG13 ILE 102 1HG1 ILE 102 2.308 -4.861 0.671 810 HG21 ILE 102 1HG2 ILE 102 5.384 -4.161 1.108 811 HG22 ILE 102 2HG2 ILE 102 4.565 -5.206 2.274 812 HG23 ILE 102 3HG2 ILE 102 5.329 -3.706 2.808 813 HD11 ILE 102 3HD1 ILE 102 0.989 -2.836 0.536 814 HD12 ILE 102 1HD1 ILE 102 1.420 -3.412 -1.076 815 HD13 ILE 102 2HD1 ILE 102 2.282 -2.042 -0.361 816 HA PRO 103 HA PRO 103 0.317 0.003 4.159 817 HB2 PRO 103 2HB PRO 103 2.751 1.668 4.051 818 HB3 PRO 103 1HB PRO 103 1.511 1.588 5.300 819 HG2 PRO 103 2HG PRO 103 4.002 0.567 5.605 820 HG3 PRO 103 1HG PRO 103 2.582 -0.076 6.436 821 HD2 PRO 103 2HD PRO 103 4.101 -1.200 4.155 822 HD3 PRO 103 1HD PRO 103 3.121 -2.012 5.386 823 H ILE 104 H ILE 104 -0.235 1.836 2.850 824 HA ILE 104 HA ILE 104 -0.015 1.411 0.107 825 HB ILE 104 HB ILE 104 -0.919 3.778 1.715 826 HG12 ILE 104 2HG1 ILE 104 -2.347 1.781 -0.037 827 HG13 ILE 104 1HG1 ILE 104 -2.303 1.784 1.720 828 HG21 ILE 104 1HG2 ILE 104 -0.891 3.619 -1.290 829 HG22 ILE 104 2HG2 ILE 104 -0.065 4.809 -0.282 830 HG23 ILE 104 3HG2 ILE 104 -1.829 4.788 -0.364 831 HD11 ILE 104 3HD1 ILE 104 -3.497 3.902 -0.014 832 HD12 ILE 104 1HD1 ILE 104 -3.502 3.887 1.747 833 HD13 ILE 104 2HD1 ILE 104 -4.404 2.656 0.859 834 H GLU 105 H GLU 105 1.830 3.552 2.155 835 HA GLU 105 HA GLU 105 3.215 4.953 0.156 836 HB2 GLU 105 2HB GLU 105 3.065 5.603 2.507 837 HB3 GLU 105 1HB GLU 105 4.123 4.266 2.953 838 HG2 GLU 105 2HG GLU 105 5.369 6.308 2.931 839 HG3 GLU 105 1HG GLU 105 5.887 5.324 1.563 840 H GLU 106 H GLU 106 3.696 1.781 1.514 841 HA GLU 106 HA GLU 106 6.380 1.487 0.532 842 HB2 GLU 106 2HB GLU 106 4.412 -0.524 1.581 843 HB3 GLU 106 1HB GLU 106 6.079 -0.910 1.159 844 HG2 GLU 106 2HG GLU 106 5.162 0.989 3.315 845 HG3 GLU 106 1HG GLU 106 5.840 -0.626 3.540 846 H LEU 107 H LEU 107 3.167 0.695 -0.565 847 HA LEU 107 HA LEU 107 3.951 -0.859 -2.813 848 HB2 LEU 107 2HB LEU 107 1.616 -0.749 -1.774 849 HB3 LEU 107 1HB LEU 107 1.446 0.831 -2.483 850 HG LEU 107 HG LEU 107 0.220 -0.990 -3.677 851 HD11 LEU 107 1HD1 LEU 107 0.839 -0.369 -5.941 852 HD12 LEU 107 2HD1 LEU 107 2.311 0.388 -5.330 853 HD13 LEU 107 3HD1 LEU 107 0.734 1.033 -4.877 854 HD21 LEU 107 3HD2 LEU 107 2.977 -1.954 -4.425 855 HD22 LEU 107 1HD2 LEU 107 1.457 -2.554 -5.082 856 HD23 LEU 107 2HD2 LEU 107 1.830 -2.791 -3.378 857 H LEU 108 H LEU 108 3.241 2.537 -2.263 858 HA LEU 108 HA LEU 108 3.686 3.508 -4.867 859 HB2 LEU 108 2HB LEU 108 4.078 4.892 -2.207 860 HB3 LEU 108 1HB LEU 108 3.984 5.690 -3.764 861 HG LEU 108 HG LEU 108 1.738 4.118 -2.503 862 HD11 LEU 108 1HD1 LEU 108 2.207 6.107 -1.200 863 HD12 LEU 108 2HD1 LEU 108 0.708 6.311 -2.103 864 HD13 LEU 108 3HD1 LEU 108 2.188 7.090 -2.662 865 HD21 LEU 108 3HD2 LEU 108 1.802 5.920 -4.928 866 HD22 LEU 108 1HD2 LEU 108 0.359 5.175 -4.239 867 HD23 LEU 108 2HD2 LEU 108 1.619 4.163 -4.940 868 H ALA 109 H ALA 109 5.843 3.139 -2.083 869 HA ALA 109 HA ALA 109 8.161 4.192 -3.209 870 HB1 ALA 109 1HB ALA 109 9.349 2.956 -1.499 871 HB2 ALA 109 2HB ALA 109 7.932 1.949 -1.214 872 HB3 ALA 109 3HB ALA 109 7.885 3.668 -0.824 873 H SER 110 H SER 110 6.787 0.975 -3.365 874 HA SER 110 HA SER 110 8.942 -0.280 -4.666 875 HB2 SER 110 2HB SER 110 5.997 -0.983 -4.717 876 HB3 SER 110 1HB SER 110 7.319 -2.046 -5.209 877 HG SER 110 HG SER 110 6.772 -1.027 -2.610 878 H SER 111 H SER 111 5.943 1.207 -5.932 879 HA SER 111 HA SER 111 7.348 1.925 -8.308 880 HB2 SER 111 2HB SER 111 4.985 0.049 -8.460 881 HB3 SER 111 1HB SER 111 5.662 0.899 -9.844 882 HG SER 111 HG SER 111 7.581 -0.314 -8.451 883 H LEU 112 H LEU 112 6.927 4.039 -7.945 884 HA LEU 112 HA LEU 112 4.152 4.789 -7.734 885 HB2 LEU 112 2HB LEU 112 5.098 7.172 -7.324 886 HB3 LEU 112 1HB LEU 112 5.202 5.982 -6.054 887 HG LEU 112 HG LEU 112 7.615 5.625 -6.727 888 HD11 LEU 112 1HD1 LEU 112 8.731 7.416 -7.949 889 HD12 LEU 112 2HD1 LEU 112 7.156 8.110 -8.351 890 HD13 LEU 112 3HD1 LEU 112 7.598 6.506 -8.943 891 HD21 LEU 112 3HD2 LEU 112 7.007 6.909 -4.775 892 HD22 LEU 112 1HD2 LEU 112 6.799 8.355 -5.763 893 HD23 LEU 112 2HD2 LEU 112 8.399 7.638 -5.576 894 H GLU 113 H GLU 113 6.800 4.936 -9.873 895 HA GLU 113 HA GLU 113 5.042 6.141 -11.879 896 HB2 GLU 113 2HB GLU 113 8.013 5.625 -11.907 897 HB3 GLU 113 1HB GLU 113 7.103 6.230 -13.282 898 HG2 GLU 113 2HG GLU 113 6.507 8.216 -12.020 899 HG3 GLU 113 1HG GLU 113 7.402 7.609 -10.627 900 H HIS 114 H HIS 114 6.731 3.311 -10.879 901 HA HIS 114 HA HIS 114 6.795 1.157 -11.494 902 HB2 HIS 114 2HB HIS 114 4.397 1.038 -11.769 903 HB3 HIS 114 1HB HIS 114 4.465 1.914 -13.285 904 HD1 HIS 114 1HD HIS 114 3.863 0.371 -15.117 905 HD2 HIS 114 2HD HIS 114 6.085 -1.570 -12.182 906 HE1 HIS 114 1HE HIS 114 4.223 -1.965 -15.977 907 HE2 HIS 114 2HE HIS 114 5.356 -3.174 -14.094 908 H HIS 115 H HIS 115 6.592 3.308 -14.196 909 HA HIS 115 HA HIS 115 9.247 2.522 -14.933 910 HB2 HIS 115 2HB HIS 115 6.923 2.449 -16.864 911 HB3 HIS 115 1HB HIS 115 8.570 2.707 -17.413 912 HD1 HIS 115 1HD HIS 115 6.405 0.195 -17.719 913 HD2 HIS 115 2HD HIS 115 10.094 0.314 -15.821 914 HE1 HIS 115 1HE HIS 115 7.198 -2.174 -17.636 915 HE2 HIS 115 2HE HIS 115 9.347 -2.096 -16.342 916 H HIS 116 H HIS 116 10.317 4.360 -14.974 917 HA HIS 116 HA HIS 116 9.044 6.889 -15.012 918 HB2 HIS 116 2HB HIS 116 11.230 6.504 -13.908 919 HB3 HIS 116 1HB HIS 116 11.965 6.181 -15.464 920 HD1 HIS 116 1HD HIS 116 10.068 9.090 -13.860 921 HD2 HIS 116 2HD HIS 116 13.290 8.386 -16.392 922 HE1 HIS 116 1HE HIS 116 11.099 11.329 -14.314 923 HE2 HIS 116 2HE HIS 116 13.184 10.802 -15.609 924 H HIS 117 H HIS 117 10.206 4.749 -17.405 925 HA HIS 117 HA HIS 117 9.667 4.509 -19.578 926 HB2 HIS 117 2HB HIS 117 7.466 5.421 -18.921 927 HB3 HIS 117 1HB HIS 117 8.043 7.042 -19.235 928 HD1 HIS 117 1HD HIS 117 7.021 7.867 -21.324 929 HD2 HIS 117 2HD HIS 117 7.771 3.795 -21.490 930 HE1 HIS 117 1HE HIS 117 6.286 7.125 -23.610 931 HE2 HIS 117 2HE HIS 117 6.397 4.631 -23.474 932 H HIS 118 H HIS 118 10.223 7.988 -19.110 933 HA HIS 118 HA HIS 118 12.765 7.776 -20.279 934 HB2 HIS 118 2HB HIS 118 12.534 9.397 -22.180 935 HB3 HIS 118 1HB HIS 118 11.695 7.893 -22.464 936 HD1 HIS 118 1HD HIS 118 9.355 8.127 -23.274 937 HD2 HIS 118 2HD HIS 118 10.734 11.644 -21.590 938 HE1 HIS 118 1HE HIS 118 7.581 9.835 -23.747 939 HE2 HIS 118 2HE HIS 118 8.663 11.984 -23.077 940 H HIS 119 H HIS 119 10.270 10.158 -19.564 941 HA HIS 119 HA HIS 119 11.078 11.161 -17.318 942 HB2 HIS 119 2HB HIS 119 12.267 13.345 -17.758 943 HB3 HIS 119 1HB HIS 119 13.268 11.954 -18.102 944 HD1 HIS 119 1HD HIS 119 11.948 15.048 -19.558 945 HD2 HIS 119 2HD HIS 119 13.774 11.588 -20.930 946 HE1 HIS 119 1HE HIS 119 12.811 15.604 -21.849 947 HE2 HIS 119 2HE HIS 119 14.181 13.584 -22.479 Start of MODEL 9 1 H1 MET 1 1HT MET 1 0.213 -11.139 -10.713 2 H2 MET 1 2HT MET 1 1.898 -11.150 -10.555 3 H3 MET 1 3HT MET 1 0.995 -9.736 -10.292 4 HA MET 1 HA MET 1 0.641 -12.129 -8.643 5 HB2 MET 1 2HB MET 1 2.904 -11.094 -8.343 6 HB3 MET 1 1HB MET 1 2.126 -9.556 -8.016 7 HG2 MET 1 2HG MET 1 1.079 -10.507 -6.027 8 HG3 MET 1 1HG MET 1 1.851 -12.055 -6.354 9 HE1 MET 1 2HE MET 1 3.846 -10.901 -3.237 10 HE2 MET 1 3HE MET 1 2.970 -12.223 -4.003 11 HE3 MET 1 1HE MET 1 2.117 -10.750 -3.548 12 H PHE 2 H PHE 2 -0.969 -11.803 -7.081 13 HA PHE 2 HA PHE 2 -2.819 -9.699 -7.786 14 HB2 PHE 2 2HB PHE 2 -3.043 -11.948 -5.768 15 HB3 PHE 2 1HB PHE 2 -4.337 -10.849 -6.220 16 HD1 PHE 2 1HD PHE 2 -5.319 -10.982 -8.488 17 HD2 PHE 2 2HD PHE 2 -2.491 -13.839 -7.098 18 HE1 PHE 2 1HE PHE 2 -6.008 -12.531 -10.274 19 HE2 PHE 2 2HE PHE 2 -3.170 -15.385 -8.883 20 HZ PHE 2 HZ PHE 2 -4.928 -14.733 -10.473 21 H ALA 3 H ALA 3 -3.489 -8.125 -6.386 22 HA ALA 3 HA ALA 3 -2.050 -7.866 -3.858 23 HB1 ALA 3 1HB ALA 3 -2.563 -5.664 -5.868 24 HB2 ALA 3 2HB ALA 3 -0.994 -6.368 -5.482 25 HB3 ALA 3 3HB ALA 3 -1.873 -5.446 -4.260 26 H VAL 4 H VAL 4 -3.501 -7.893 -2.339 27 HA VAL 4 HA VAL 4 -6.261 -7.248 -3.015 28 HB VAL 4 HB VAL 4 -5.163 -8.582 -0.515 29 HG11 VAL 4 1HG1 VAL 4 -7.505 -9.200 -0.054 30 HG12 VAL 4 2HG1 VAL 4 -8.020 -8.315 -1.490 31 HG13 VAL 4 3HG1 VAL 4 -7.321 -7.445 -0.126 32 HG21 VAL 4 3HG2 VAL 4 -6.560 -9.808 -2.889 33 HG22 VAL 4 1HG2 VAL 4 -6.067 -10.658 -1.430 34 HG23 VAL 4 2HG2 VAL 4 -4.847 -9.966 -2.508 35 H ILE 5 H ILE 5 -7.292 -5.599 -2.164 36 HA ILE 5 HA ILE 5 -5.686 -3.615 -0.760 37 HB ILE 5 HB ILE 5 -8.406 -3.333 -2.068 38 HG12 ILE 5 2HG1 ILE 5 -5.685 -2.541 -3.149 39 HG13 ILE 5 1HG1 ILE 5 -6.581 -3.968 -3.651 40 HG21 ILE 5 1HG2 ILE 5 -7.950 -1.631 -0.352 41 HG22 ILE 5 2HG2 ILE 5 -7.969 -0.924 -1.964 42 HG23 ILE 5 3HG2 ILE 5 -6.430 -1.224 -1.155 43 HD11 ILE 5 3HD1 ILE 5 -8.361 -2.547 -4.517 44 HD12 ILE 5 1HD1 ILE 5 -6.808 -2.150 -5.254 45 HD13 ILE 5 2HD1 ILE 5 -7.474 -1.114 -3.995 46 H SER 6 H SER 6 -5.998 -3.200 1.309 47 HA SER 6 HA SER 6 -8.079 -4.442 2.839 48 HB2 SER 6 2HB SER 6 -6.118 -4.433 4.040 49 HB3 SER 6 1HB SER 6 -5.581 -2.921 3.325 50 HG SER 6 HG SER 6 -7.366 -3.273 5.561 51 HA PRO 7 HA PRO 7 -11.001 -1.032 2.752 52 HB2 PRO 7 2HB PRO 7 -11.490 -1.726 5.608 53 HB3 PRO 7 1HB PRO 7 -12.647 -1.577 4.280 54 HG2 PRO 7 2HG PRO 7 -11.952 -3.974 5.177 55 HG3 PRO 7 1HG PRO 7 -12.145 -3.689 3.438 56 HD2 PRO 7 2HD PRO 7 -9.633 -3.888 5.056 57 HD3 PRO 7 1HD PRO 7 -10.003 -4.541 3.443 58 H SER 8 H SER 8 -8.642 -1.324 5.322 59 HA SER 8 HA SER 8 -8.829 1.283 6.370 60 HB2 SER 8 2HB SER 8 -6.409 -0.528 6.176 61 HB3 SER 8 1HB SER 8 -6.550 0.886 7.216 62 HG SER 8 HG SER 8 -7.955 -1.577 7.375 63 H ALA 9 H ALA 9 -7.347 -0.008 3.502 64 HA ALA 9 HA ALA 9 -5.591 2.212 3.049 65 HB1 ALA 9 1HB ALA 9 -4.900 0.919 1.057 66 HB2 ALA 9 2HB ALA 9 -6.186 -0.237 1.396 67 HB3 ALA 9 3HB ALA 9 -4.859 -0.044 2.535 68 H PHE 10 H PHE 10 -8.793 1.863 2.611 69 HA PHE 10 HA PHE 10 -9.203 2.722 -0.041 70 HB2 PHE 10 2HB PHE 10 -10.987 3.012 2.361 71 HB3 PHE 10 1HB PHE 10 -11.461 3.461 0.732 72 HD1 PHE 10 1HD PHE 10 -9.526 0.721 0.106 73 HD2 PHE 10 2HD PHE 10 -13.195 1.734 1.997 74 HE1 PHE 10 1HE PHE 10 -10.340 -1.554 -0.262 75 HE2 PHE 10 2HE PHE 10 -14.009 -0.548 1.625 76 HZ PHE 10 HZ PHE 10 -12.602 -2.184 0.506 77 H GLY 11 H GLY 11 -9.921 4.688 -0.846 78 HA2 GLY 11 2HA GLY 11 -10.037 7.007 -0.998 79 HA3 GLY 11 1HA GLY 11 -9.361 7.128 0.624 80 H LYS 12 H LYS 12 -7.117 5.491 0.229 81 HA LYS 12 HA LYS 12 -5.462 7.141 -1.495 82 HB2 LYS 12 2HB LYS 12 -4.892 5.126 0.656 83 HB3 LYS 12 1HB LYS 12 -3.623 5.898 -0.305 84 HG2 LYS 12 2HG LYS 12 -4.200 8.038 0.534 85 HG3 LYS 12 1HG LYS 12 -5.656 7.412 1.304 86 HD2 LYS 12 2HD LYS 12 -3.947 7.786 2.952 87 HD3 LYS 12 1HD LYS 12 -4.299 6.075 2.770 88 HE2 LYS 12 2HE LYS 12 -1.859 6.534 3.004 89 HE3 LYS 12 1HE LYS 12 -2.282 5.690 1.528 90 HZ1 LYS 12 3HZ LYS 12 -0.644 7.405 1.259 91 HZ2 LYS 12 1HZ LYS 12 -1.718 8.611 1.710 92 HZ3 LYS 12 2HZ LYS 12 -1.983 7.733 0.281 93 H LEU 13 H LEU 13 -7.332 4.627 -1.728 94 HA LEU 13 HA LEU 13 -6.031 2.563 -3.056 95 HB2 LEU 13 2HB LEU 13 -8.368 2.828 -2.008 96 HB3 LEU 13 1HB LEU 13 -8.824 3.590 -3.505 97 HG LEU 13 HG LEU 13 -7.845 0.759 -3.265 98 HD11 LEU 13 1HD1 LEU 13 -10.647 1.849 -3.477 99 HD12 LEU 13 2HD1 LEU 13 -9.916 1.152 -2.040 100 HD13 LEU 13 3HD1 LEU 13 -10.207 0.134 -3.460 101 HD21 LEU 13 3HD2 LEU 13 -7.557 1.731 -5.495 102 HD22 LEU 13 1HD2 LEU 13 -9.253 2.206 -5.510 103 HD23 LEU 13 2HD2 LEU 13 -8.820 0.493 -5.507 104 H LYS 14 H LYS 14 -7.354 5.645 -4.024 105 HA LYS 14 HA LYS 14 -7.320 5.454 -6.828 106 HB2 LYS 14 2HB LYS 14 -6.927 7.852 -5.039 107 HB3 LYS 14 1HB LYS 14 -7.297 7.923 -6.754 108 HG2 LYS 14 2HG LYS 14 -9.472 7.010 -6.404 109 HG3 LYS 14 1HG LYS 14 -9.090 6.592 -4.732 110 HD2 LYS 14 2HD LYS 14 -10.472 8.549 -4.756 111 HD3 LYS 14 1HD LYS 14 -8.857 9.006 -4.229 112 HE2 LYS 14 2HE LYS 14 -9.647 10.695 -5.709 113 HE3 LYS 14 1HE LYS 14 -8.423 9.782 -6.582 114 HZ1 LYS 14 3HZ LYS 14 -11.333 9.287 -6.830 115 HZ2 LYS 14 1HZ LYS 14 -10.115 8.658 -7.814 116 HZ3 LYS 14 2HZ LYS 14 -10.474 10.307 -7.870 117 H GLU 15 H GLU 15 -4.856 6.201 -4.451 118 HA GLU 15 HA GLU 15 -2.951 7.275 -6.254 119 HB2 GLU 15 2HB GLU 15 -2.457 6.110 -3.504 120 HB3 GLU 15 1HB GLU 15 -1.432 7.234 -4.386 121 HG2 GLU 15 2HG GLU 15 -3.223 8.933 -4.222 122 HG3 GLU 15 1HG GLU 15 -4.171 7.804 -3.262 123 H ILE 16 H ILE 16 -2.992 4.258 -4.377 124 HA ILE 16 HA ILE 16 -0.760 3.070 -5.528 125 HB ILE 16 HB ILE 16 -1.667 0.868 -4.771 126 HG12 ILE 16 2HG1 ILE 16 -4.049 2.523 -3.891 127 HG13 ILE 16 1HG1 ILE 16 -4.064 1.346 -5.192 128 HG21 ILE 16 1HG2 ILE 16 -1.844 3.145 -2.832 129 HG22 ILE 16 2HG2 ILE 16 -0.373 2.280 -3.283 130 HG23 ILE 16 3HG2 ILE 16 -1.649 1.452 -2.382 131 HD11 ILE 16 3HD1 ILE 16 -3.571 -0.415 -3.577 132 HD12 ILE 16 1HD1 ILE 16 -5.066 0.445 -3.188 133 HD13 ILE 16 2HD1 ILE 16 -3.586 0.787 -2.283 134 H LEU 17 H LEU 17 -4.069 2.907 -6.627 135 HA LEU 17 HA LEU 17 -3.804 0.874 -8.524 136 HB2 LEU 17 2HB LEU 17 -5.928 1.710 -7.614 137 HB3 LEU 17 1HB LEU 17 -5.702 3.219 -8.461 138 HG LEU 17 HG LEU 17 -5.939 2.073 -10.609 139 HD11 LEU 17 1HD1 LEU 17 -5.081 -0.128 -9.979 140 HD12 LEU 17 2HD1 LEU 17 -6.706 -0.254 -10.657 141 HD13 LEU 17 3HD1 LEU 17 -6.467 -0.369 -8.916 142 HD21 LEU 17 3HD2 LEU 17 -8.322 1.536 -10.358 143 HD22 LEU 17 1HD2 LEU 17 -7.883 3.034 -9.535 144 HD23 LEU 17 2HD2 LEU 17 -8.126 1.552 -8.611 145 H GLY 18 H GLY 18 -3.736 4.409 -8.943 146 HA2 GLY 18 2HA GLY 18 -3.082 4.034 -11.752 147 HA3 GLY 18 1HA GLY 18 -3.487 5.545 -10.963 148 H SER 19 H SER 19 -1.475 5.057 -8.843 149 HA SER 19 HA SER 19 0.642 6.360 -10.278 150 HB2 SER 19 2HB SER 19 -0.041 7.197 -8.065 151 HB3 SER 19 1HB SER 19 0.431 5.666 -7.336 152 HG SER 19 HG SER 19 2.306 7.042 -8.857 153 H ASN 20 H ASN 20 0.072 3.172 -8.961 154 HA ASN 20 HA ASN 20 2.800 2.558 -9.839 155 HB2 ASN 20 2HB ASN 20 2.462 2.106 -7.414 156 HB3 ASN 20 1HB ASN 20 1.215 0.937 -7.840 157 HD21 ASN 20 1HD2 ASN 20 2.319 -0.857 -7.067 158 HD22 ASN 20 2HD2 ASN 20 3.751 -1.465 -7.822 159 H LYS 21 H LYS 21 -0.484 1.143 -9.574 160 HA LYS 21 HA LYS 21 -1.488 -0.490 -10.670 161 HB2 LYS 21 2HB LYS 21 -1.023 1.264 -12.543 162 HB3 LYS 21 1HB LYS 21 0.275 0.195 -13.052 163 HG2 LYS 21 2HG LYS 21 -1.415 -1.602 -13.407 164 HG3 LYS 21 1HG LYS 21 -2.645 -0.423 -12.938 165 HD2 LYS 21 2HD LYS 21 -2.126 0.970 -14.819 166 HD3 LYS 21 1HD LYS 21 -0.758 -0.048 -15.253 167 HE2 LYS 21 2HE LYS 21 -2.708 -0.487 -16.683 168 HE3 LYS 21 1HE LYS 21 -2.254 -1.905 -15.742 169 HZ1 LYS 21 3HZ LYS 21 -4.654 -1.529 -15.778 170 HZ2 LYS 21 1HZ LYS 21 -4.452 -0.031 -15.054 171 HZ3 LYS 21 2HZ LYS 21 -4.059 -1.441 -14.216 172 H ASN 22 H ASN 22 0.138 -2.030 -12.915 173 HA ASN 22 HA ASN 22 1.630 -3.666 -13.229 174 HB2 ASN 22 2HB ASN 22 3.237 -1.955 -12.321 175 HB3 ASN 22 1HB ASN 22 3.062 -2.696 -10.741 176 HD21 ASN 22 1HD2 ASN 22 5.280 -3.109 -10.692 177 HD22 ASN 22 2HD2 ASN 22 6.014 -4.353 -11.650 178 H TYR 23 H TYR 23 -0.135 -3.608 -10.388 179 HA TYR 23 HA TYR 23 0.269 -6.494 -9.996 180 HB2 TYR 23 2HB TYR 23 -0.608 -4.345 -8.076 181 HB3 TYR 23 1HB TYR 23 -0.942 -6.041 -7.773 182 HD1 TYR 23 1HD TYR 23 0.840 -7.570 -7.204 183 HD2 TYR 23 2HD TYR 23 1.662 -3.453 -7.897 184 HE1 TYR 23 1HE TYR 23 3.034 -7.842 -6.143 185 HE2 TYR 23 2HE TYR 23 3.870 -3.717 -6.836 186 HH TYR 23 HH TYR 23 5.168 -6.800 -6.169 187 H LYS 24 H LYS 24 -1.697 -7.725 -9.491 188 HA LYS 24 HA LYS 24 -3.999 -6.665 -10.932 189 HB2 LYS 24 2HB LYS 24 -3.229 -9.009 -11.372 190 HB3 LYS 24 1HB LYS 24 -3.553 -9.406 -9.698 191 HG2 LYS 24 2HG LYS 24 -5.386 -10.224 -10.973 192 HG3 LYS 24 1HG LYS 24 -5.954 -8.808 -10.095 193 HD2 LYS 24 2HD LYS 24 -6.816 -8.705 -12.339 194 HD3 LYS 24 1HD LYS 24 -5.584 -7.458 -12.169 195 HE2 LYS 24 2HE LYS 24 -3.948 -8.923 -13.279 196 HE3 LYS 24 1HE LYS 24 -5.191 -10.172 -13.415 197 HZ1 LYS 24 3HZ LYS 24 -6.453 -8.694 -14.847 198 HZ2 LYS 24 1HZ LYS 24 -4.907 -8.948 -15.473 199 HZ3 LYS 24 2HZ LYS 24 -5.288 -7.497 -14.697 200 H PHE 25 H PHE 25 -5.092 -5.338 -9.667 201 HA PHE 25 HA PHE 25 -5.056 -5.583 -6.827 202 HB2 PHE 25 2HB PHE 25 -6.492 -3.698 -8.667 203 HB3 PHE 25 1HB PHE 25 -6.562 -3.575 -6.909 204 HD1 PHE 25 1HD PHE 25 -4.400 -3.308 -9.867 205 HD2 PHE 25 2HD PHE 25 -4.724 -2.647 -5.683 206 HE1 PHE 25 1HE PHE 25 -2.356 -2.000 -9.932 207 HE2 PHE 25 2HE PHE 25 -2.658 -1.312 -5.734 208 HZ PHE 25 HZ PHE 25 -1.463 -0.981 -7.863 209 H VAL 26 H VAL 26 -6.353 -6.593 -5.606 210 HA VAL 26 HA VAL 26 -8.928 -7.566 -6.633 211 HB VAL 26 HB VAL 26 -7.089 -8.865 -4.607 212 HG11 VAL 26 1HG1 VAL 26 -8.585 -10.803 -4.761 213 HG12 VAL 26 2HG1 VAL 26 -9.642 -9.887 -5.836 214 HG13 VAL 26 3HG1 VAL 26 -9.423 -9.368 -4.164 215 HG21 VAL 26 3HG2 VAL 26 -6.130 -9.032 -6.830 216 HG22 VAL 26 1HG2 VAL 26 -7.649 -9.667 -7.459 217 HG23 VAL 26 2HG2 VAL 26 -6.713 -10.612 -6.300 218 H ILE 27 H ILE 27 -10.643 -7.083 -5.402 219 HA ILE 27 HA ILE 27 -10.143 -6.006 -2.734 220 HB ILE 27 HB ILE 27 -10.879 -4.227 -4.329 221 HG12 ILE 27 2HG1 ILE 27 -12.757 -3.326 -2.977 222 HG13 ILE 27 1HG1 ILE 27 -12.914 -4.896 -2.199 223 HG21 ILE 27 1HG2 ILE 27 -12.226 -5.580 -5.823 224 HG22 ILE 27 2HG2 ILE 27 -13.149 -4.211 -5.197 225 HG23 ILE 27 3HG2 ILE 27 -13.407 -5.823 -4.533 226 HD11 ILE 27 3HD1 ILE 27 -10.514 -3.096 -2.076 227 HD12 ILE 27 1HD1 ILE 27 -10.661 -4.665 -1.282 228 HD13 ILE 27 2HD1 ILE 27 -11.710 -3.337 -0.805 229 H THR 28 H THR 28 -11.744 -6.541 -1.122 230 HA THR 28 HA THR 28 -12.815 -9.150 -1.556 231 HB THR 28 HB THR 28 -13.313 -8.922 0.908 232 HG1 THR 28 1HG THR 28 -12.117 -7.147 1.875 233 HG21 THR 28 3HG2 THR 28 -10.456 -8.416 0.058 234 HG22 THR 28 1HG2 THR 28 -11.268 -9.984 -0.008 235 HG23 THR 28 2HG2 THR 28 -11.012 -9.199 1.544 236 H THR 29 H THR 29 -14.962 -9.658 -0.557 237 HA THR 29 HA THR 29 -17.055 -8.294 -1.765 238 HB THR 29 HB THR 29 -18.105 -9.875 0.248 239 HG1 THR 29 1HG THR 29 -15.976 -10.514 0.867 240 HG21 THR 29 3HG2 THR 29 -18.725 -9.957 -2.122 241 HG22 THR 29 1HG2 THR 29 -18.316 -11.570 -1.544 242 HG23 THR 29 2HG2 THR 29 -17.159 -10.660 -2.522 243 H LEU 30 H LEU 30 -15.843 -8.346 1.582 244 HA LEU 30 HA LEU 30 -17.830 -6.507 2.494 245 HB2 LEU 30 2HB LEU 30 -15.214 -7.366 3.724 246 HB3 LEU 30 1HB LEU 30 -16.418 -6.384 4.532 247 HG LEU 30 HG LEU 30 -16.845 -9.224 3.599 248 HD11 LEU 30 1HD1 LEU 30 -15.261 -9.106 5.430 249 HD12 LEU 30 2HD1 LEU 30 -16.799 -9.786 5.962 250 HD13 LEU 30 3HD1 LEU 30 -16.391 -8.117 6.355 251 HD21 LEU 30 3HD2 LEU 30 -18.896 -9.097 4.949 252 HD22 LEU 30 1HD2 LEU 30 -18.917 -7.940 3.617 253 HD23 LEU 30 2HD2 LEU 30 -18.578 -7.392 5.258 254 H GLY 31 H GLY 31 -14.656 -6.323 1.129 255 HA2 GLY 31 2HA GLY 31 -13.916 -3.715 1.760 256 HA3 GLY 31 1HA GLY 31 -13.444 -4.588 0.302 257 H VAL 32 H VAL 32 -15.575 -4.862 -1.179 258 HA VAL 32 HA VAL 32 -16.026 -2.276 -2.153 259 HB VAL 32 HB VAL 32 -17.766 -3.212 -3.668 260 HG11 VAL 32 1HG1 VAL 32 -16.311 -4.747 -4.893 261 HG12 VAL 32 2HG1 VAL 32 -15.251 -4.840 -3.487 262 HG13 VAL 32 3HG1 VAL 32 -15.459 -3.307 -4.336 263 HG21 VAL 32 3HG2 VAL 32 -18.209 -5.618 -3.698 264 HG22 VAL 32 1HG2 VAL 32 -18.750 -4.892 -2.185 265 HG23 VAL 32 2HG2 VAL 32 -17.250 -5.818 -2.231 266 H SER 33 H SER 33 -18.029 -4.269 -0.095 267 HA SER 33 HA SER 33 -20.325 -2.652 -0.107 268 HB2 SER 33 2HB SER 33 -19.304 -4.492 2.059 269 HB3 SER 33 1HB SER 33 -20.960 -3.903 1.886 270 HG SER 33 HG SER 33 -19.547 -5.775 0.319 271 H PHE 34 H PHE 34 -17.483 -2.682 2.000 272 HA PHE 34 HA PHE 34 -18.306 -0.743 3.847 273 HB2 PHE 34 2HB PHE 34 -16.413 -2.319 4.142 274 HB3 PHE 34 1HB PHE 34 -15.519 -1.469 2.901 275 HD1 PHE 34 2HD PHE 34 -16.938 -1.186 6.272 276 HD2 PHE 34 1HD PHE 34 -14.252 0.464 3.436 277 HE1 PHE 34 2HE PHE 34 -15.958 0.234 8.027 278 HE2 PHE 34 1HE PHE 34 -13.268 1.888 5.179 279 HZ PHE 34 HZ PHE 34 -14.126 1.767 7.483 280 H ALA 35 H ALA 35 -16.525 -0.558 0.814 281 HA ALA 35 HA ALA 35 -16.078 2.223 0.887 282 HB1 ALA 35 1HB ALA 35 -14.733 0.714 -0.488 283 HB2 ALA 35 2HB ALA 35 -15.458 1.993 -1.465 284 HB3 ALA 35 3HB ALA 35 -16.144 0.370 -1.485 285 H ILE 36 H ILE 36 -18.627 0.239 -0.522 286 HA ILE 36 HA ILE 36 -20.020 2.225 -1.905 287 HB ILE 36 HB ILE 36 -21.046 -0.304 -0.587 288 HG12 ILE 36 2HG1 ILE 36 -19.529 -0.666 -2.480 289 HG13 ILE 36 1HG1 ILE 36 -21.158 -1.206 -2.860 290 HG21 ILE 36 1HG2 ILE 36 -22.595 1.521 -2.416 291 HG22 ILE 36 2HG2 ILE 36 -22.916 1.228 -0.707 292 HG23 ILE 36 3HG2 ILE 36 -23.119 -0.076 -1.878 293 HD11 ILE 36 3HD1 ILE 36 -21.511 0.858 -4.149 294 HD12 ILE 36 1HD1 ILE 36 -20.154 -0.097 -4.751 295 HD13 ILE 36 2HD1 ILE 36 -19.851 1.347 -3.790 296 H LYS 37 H LYS 37 -20.534 1.096 1.464 297 HA LYS 37 HA LYS 37 -22.581 3.035 1.792 298 HB2 LYS 37 2HB LYS 37 -22.739 2.270 4.119 299 HB3 LYS 37 1HB LYS 37 -22.769 0.944 2.982 300 HG2 LYS 37 2HG LYS 37 -21.472 0.157 4.749 301 HG3 LYS 37 1HG LYS 37 -20.283 0.636 3.559 302 HD2 LYS 37 2HD LYS 37 -19.818 2.684 4.729 303 HD3 LYS 37 1HD LYS 37 -21.147 2.397 5.852 304 HE2 LYS 37 2HE LYS 37 -18.713 0.635 5.575 305 HE3 LYS 37 1HE LYS 37 -18.927 1.877 6.807 306 HZ1 LYS 37 3HZ LYS 37 -20.775 0.710 7.687 307 HZ2 LYS 37 1HZ LYS 37 -19.469 -0.327 7.605 308 HZ3 LYS 37 2HZ LYS 37 -20.740 -0.477 6.497 309 H SER 38 H SER 38 -19.281 3.316 1.919 310 HA SER 38 HA SER 38 -19.419 5.592 3.722 311 HB2 SER 38 2HB SER 38 -17.640 3.886 4.043 312 HB3 SER 38 1HB SER 38 -16.989 4.288 2.463 313 HG SER 38 HG SER 38 -17.358 6.174 4.528 314 H GLY 39 H GLY 39 -19.468 4.889 0.376 315 HA2 GLY 39 2HA GLY 39 -19.762 6.353 -1.377 316 HA3 GLY 39 1HA GLY 39 -19.526 7.691 -0.262 317 H ILE 40 H ILE 40 -17.371 4.992 -0.973 318 HA ILE 40 HA ILE 40 -15.248 6.947 -1.543 319 HB ILE 40 HB ILE 40 -14.953 3.966 -0.980 320 HG12 ILE 40 2HG1 ILE 40 -14.661 6.299 0.909 321 HG13 ILE 40 1HG1 ILE 40 -16.001 5.165 0.901 322 HG21 ILE 40 1HG2 ILE 40 -13.029 4.983 -2.138 323 HG22 ILE 40 2HG2 ILE 40 -12.612 4.528 -0.487 324 HG23 ILE 40 3HG2 ILE 40 -12.920 6.217 -0.881 325 HD11 ILE 40 3HD1 ILE 40 -14.432 3.355 1.475 326 HD12 ILE 40 1HD1 ILE 40 -14.442 4.643 2.680 327 HD13 ILE 40 2HD1 ILE 40 -13.120 4.535 1.522 328 H ASP 41 H ASP 41 -13.830 6.575 -3.379 329 HA ASP 41 HA ASP 41 -15.063 5.691 -5.769 330 HB2 ASP 41 2HB ASP 41 -12.237 6.477 -5.125 331 HB3 ASP 41 1HB ASP 41 -12.597 5.726 -6.667 332 H ILE 42 H ILE 42 -15.725 3.617 -5.214 333 HA ILE 42 HA ILE 42 -13.573 1.633 -5.379 334 HB ILE 42 HB ILE 42 -15.051 1.301 -3.456 335 HG12 ILE 42 2HG1 ILE 42 -15.754 -1.056 -3.854 336 HG13 ILE 42 1HG1 ILE 42 -15.426 -0.831 -5.565 337 HG21 ILE 42 1HG2 ILE 42 -17.082 2.320 -4.252 338 HG22 ILE 42 2HG2 ILE 42 -17.415 0.676 -3.708 339 HG23 ILE 42 3HG2 ILE 42 -17.302 1.030 -5.434 340 HD11 ILE 42 3HD1 ILE 42 -13.406 -0.656 -3.334 341 HD12 ILE 42 1HD1 ILE 42 -13.065 -0.414 -5.048 342 HD13 ILE 42 2HD1 ILE 42 -13.599 -1.989 -4.473 343 H ASP 43 H ASP 43 -16.384 2.887 -6.950 344 HA ASP 43 HA ASP 43 -16.696 0.821 -8.874 345 HB2 ASP 43 2HB ASP 43 -18.233 2.415 -9.964 346 HB3 ASP 43 1HB ASP 43 -18.549 2.322 -8.236 347 H SER 44 H SER 44 -15.101 3.916 -8.691 348 HA SER 44 HA SER 44 -14.039 4.083 -11.269 349 HB2 SER 44 2HB SER 44 -12.784 5.072 -8.703 350 HB3 SER 44 1HB SER 44 -12.581 5.749 -10.319 351 HG SER 44 HG SER 44 -14.269 6.645 -8.644 352 H ALA 45 H ALA 45 -13.089 2.260 -8.463 353 HA ALA 45 HA ALA 45 -10.450 1.626 -9.373 354 HB1 ALA 45 1HB ALA 45 -11.000 1.723 -6.989 355 HB2 ALA 45 2HB ALA 45 -10.406 0.125 -7.436 356 HB3 ALA 45 3HB ALA 45 -12.134 0.386 -7.195 357 H LEU 46 H LEU 46 -13.513 -0.129 -9.036 358 HA LEU 46 HA LEU 46 -12.770 -2.563 -10.186 359 HB2 LEU 46 2HB LEU 46 -15.458 -1.200 -10.347 360 HB3 LEU 46 1HB LEU 46 -15.158 -2.907 -10.589 361 HG LEU 46 HG LEU 46 -14.857 -1.385 -8.000 362 HD11 LEU 46 1HD1 LEU 46 -16.727 -2.741 -7.230 363 HD12 LEU 46 2HD1 LEU 46 -16.868 -3.458 -8.833 364 HD13 LEU 46 3HD1 LEU 46 -17.170 -1.736 -8.608 365 HD21 LEU 46 3HD2 LEU 46 -14.458 -3.577 -6.970 366 HD22 LEU 46 1HD2 LEU 46 -13.195 -3.149 -8.124 367 HD23 LEU 46 2HD2 LEU 46 -14.440 -4.312 -8.575 368 H ASP 47 H ASP 47 -14.039 0.347 -11.604 369 HA ASP 47 HA ASP 47 -14.318 -0.230 -14.295 370 HB2 ASP 47 2HB ASP 47 -14.942 1.913 -13.339 371 HB3 ASP 47 1HB ASP 47 -13.270 2.263 -12.947 372 H ARG 48 H ARG 48 -11.423 0.819 -12.570 373 HA ARG 48 HA ARG 48 -9.824 0.798 -14.944 374 HB2 ARG 48 2HB ARG 48 -9.173 1.395 -12.105 375 HB3 ARG 48 1HB ARG 48 -8.007 1.527 -13.422 376 HG2 ARG 48 2HG ARG 48 -9.353 3.180 -14.498 377 HG3 ARG 48 1HG ARG 48 -10.617 2.985 -13.285 378 HD2 ARG 48 2HD ARG 48 -8.967 3.681 -11.566 379 HD3 ARG 48 1HD ARG 48 -7.838 4.024 -12.870 380 HE ARG 48 HE ARG 48 -9.592 5.502 -13.776 381 HH11 ARG 48 1HH1 ARG 48 -9.260 4.976 -10.319 382 HH12 ARG 48 2HH1 ARG 48 -9.994 6.466 -9.887 383 HH21 ARG 48 1HH2 ARG 48 -10.673 7.480 -13.169 384 HH22 ARG 48 2HH2 ARG 48 -10.833 7.895 -11.536 385 H GLY 49 H GLY 49 -10.699 -1.661 -12.934 386 HA2 GLY 49 2HA GLY 49 -9.773 -3.755 -13.975 387 HA3 GLY 49 1HA GLY 49 -8.201 -3.042 -13.684 388 H VAL 50 H VAL 50 -9.997 -2.259 -11.021 389 HA VAL 50 HA VAL 50 -8.782 -4.360 -9.512 390 HB VAL 50 HB VAL 50 -10.904 -2.352 -8.634 391 HG11 VAL 50 1HG1 VAL 50 -10.247 -2.922 -6.339 392 HG12 VAL 50 2HG1 VAL 50 -9.156 -4.161 -6.958 393 HG13 VAL 50 3HG1 VAL 50 -10.897 -4.324 -7.188 394 HG21 VAL 50 3HG2 VAL 50 -7.907 -2.356 -8.322 395 HG22 VAL 50 1HG2 VAL 50 -8.992 -1.232 -7.511 396 HG23 VAL 50 2HG2 VAL 50 -8.879 -1.231 -9.268 397 H ILE 51 H ILE 51 -9.566 -6.287 -9.037 398 HA ILE 51 HA ILE 51 -12.259 -6.885 -10.014 399 HB ILE 51 HB ILE 51 -11.547 -9.249 -10.123 400 HG12 ILE 51 2HG1 ILE 51 -8.778 -8.178 -9.473 401 HG13 ILE 51 1HG1 ILE 51 -9.755 -9.193 -8.422 402 HG21 ILE 51 1HG2 ILE 51 -10.099 -9.023 -12.103 403 HG22 ILE 51 2HG2 ILE 51 -9.854 -7.321 -11.696 404 HG23 ILE 51 3HG2 ILE 51 -11.466 -7.909 -12.104 405 HD11 ILE 51 3HD1 ILE 51 -8.629 -9.990 -11.101 406 HD12 ILE 51 1HD1 ILE 51 -9.611 -11.013 -10.053 407 HD13 ILE 51 2HD1 ILE 51 -8.012 -10.480 -9.528 408 H VAL 52 H VAL 52 -13.630 -8.200 -8.793 409 HA VAL 52 HA VAL 52 -13.143 -7.938 -5.920 410 HB VAL 52 HB VAL 52 -15.703 -8.797 -7.302 411 HG11 VAL 52 1HG1 VAL 52 -15.591 -9.454 -4.976 412 HG12 VAL 52 2HG1 VAL 52 -16.783 -8.174 -5.198 413 HG13 VAL 52 3HG1 VAL 52 -15.207 -7.797 -4.504 414 HG21 VAL 52 3HG2 VAL 52 -16.531 -6.513 -6.953 415 HG22 VAL 52 1HG2 VAL 52 -15.150 -6.551 -8.047 416 HG23 VAL 52 2HG2 VAL 52 -14.936 -6.031 -6.378 417 H ARG 53 H ARG 53 -12.918 -9.728 -4.627 418 HA ARG 53 HA ARG 53 -13.652 -12.289 -5.717 419 HB2 ARG 53 2HB ARG 53 -11.378 -12.097 -6.500 420 HB3 ARG 53 1HB ARG 53 -10.825 -11.645 -4.898 421 HG2 ARG 53 2HG ARG 53 -11.306 -13.841 -4.054 422 HG3 ARG 53 1HG ARG 53 -12.036 -14.309 -5.590 423 HD2 ARG 53 2HD ARG 53 -9.910 -14.083 -6.712 424 HD3 ARG 53 1HD ARG 53 -9.179 -13.459 -5.237 425 HE ARG 53 HE ARG 53 -9.310 -15.590 -4.269 426 HH11 ARG 53 1HH1 ARG 53 -10.299 -15.657 -7.693 427 HH12 ARG 53 2HH1 ARG 53 -9.896 -17.314 -7.859 428 HH21 ARG 53 1HH2 ARG 53 -8.817 -17.765 -4.533 429 HH22 ARG 53 2HH2 ARG 53 -9.047 -18.542 -6.059 430 H ALA 54 H ALA 54 -14.342 -13.666 -4.277 431 HA ALA 54 HA ALA 54 -13.938 -13.059 -1.456 432 HB1 ALA 54 1HB ALA 54 -16.273 -12.722 -2.104 433 HB2 ALA 54 2HB ALA 54 -16.138 -14.188 -1.126 434 HB3 ALA 54 3HB ALA 54 -16.309 -14.308 -2.870 435 H PHE 55 H PHE 55 -13.683 -14.972 -0.175 436 HA PHE 55 HA PHE 55 -12.473 -17.100 -1.694 437 HB2 PHE 55 2HB PHE 55 -11.878 -18.082 0.573 438 HB3 PHE 55 1HB PHE 55 -11.185 -16.509 0.229 439 HD1 PHE 55 2HD PHE 55 -13.999 -18.150 2.036 440 HD2 PHE 55 1HD PHE 55 -11.425 -14.783 1.741 441 HE1 PHE 55 2HE PHE 55 -14.860 -17.307 4.181 442 HE2 PHE 55 1HE PHE 55 -12.266 -13.939 3.871 443 HZ PHE 55 HZ PHE 55 -13.998 -15.196 5.104 444 H SER 56 H SER 56 -13.047 -19.405 -1.282 445 HA SER 56 HA SER 56 -15.742 -19.841 -1.797 446 HB2 SER 56 2HB SER 56 -13.767 -21.819 -0.644 447 HB3 SER 56 1HB SER 56 -15.223 -22.200 -1.558 448 HG SER 56 HG SER 56 -14.293 -21.730 -3.328 449 H HIS 57 H HIS 57 -13.944 -20.639 1.209 450 HA HIS 57 HA HIS 57 -15.630 -19.449 3.015 451 HB2 HIS 57 2HB HIS 57 -17.355 -21.145 2.136 452 HB3 HIS 57 1HB HIS 57 -16.380 -22.388 2.908 453 HD1 HIS 57 1HD HIS 57 -17.325 -23.007 5.171 454 HD2 HIS 57 2HD HIS 57 -17.988 -18.997 4.250 455 HE1 HIS 57 1HE HIS 57 -18.574 -22.059 7.090 456 HE2 HIS 57 2HE HIS 57 -19.182 -19.742 6.406 457 H LYS 58 H LYS 58 -13.939 -19.105 4.281 458 HA LYS 58 HA LYS 58 -12.915 -21.410 5.716 459 HB2 LYS 58 2HB LYS 58 -11.271 -19.044 4.772 460 HB3 LYS 58 1HB LYS 58 -10.748 -20.185 5.992 461 HG2 LYS 58 2HG LYS 58 -10.997 -21.971 4.184 462 HG3 LYS 58 1HG LYS 58 -11.138 -20.628 3.045 463 HD2 LYS 58 2HD LYS 58 -8.825 -21.320 3.102 464 HD3 LYS 58 1HD LYS 58 -8.953 -19.756 3.910 465 HE2 LYS 58 2HE LYS 58 -9.016 -20.961 6.114 466 HE3 LYS 58 1HE LYS 58 -8.775 -22.465 5.238 467 HZ1 LYS 58 3HZ LYS 58 -6.767 -21.617 6.186 468 HZ2 LYS 58 1HZ LYS 58 -6.907 -20.179 5.322 469 HZ3 LYS 58 2HZ LYS 58 -6.629 -21.639 4.504 470 HA PRO 59 HA PRO 59 -14.063 -18.634 9.041 471 HB2 PRO 59 2HB PRO 59 -11.976 -19.761 10.755 472 HB3 PRO 59 1HB PRO 59 -13.725 -19.928 10.911 473 HG2 PRO 59 2HG PRO 59 -12.116 -22.003 10.232 474 HG3 PRO 59 1HG PRO 59 -13.784 -21.857 9.658 475 HD2 PRO 59 2HD PRO 59 -11.229 -21.223 8.231 476 HD3 PRO 59 1HD PRO 59 -12.699 -22.022 7.627 477 HA PRO 60 HA PRO 60 -10.652 -15.714 8.399 478 HB2 PRO 60 2HB PRO 60 -12.381 -13.857 9.887 479 HB3 PRO 60 1HB PRO 60 -11.772 -13.702 8.238 480 HG2 PRO 60 2HG PRO 60 -14.368 -14.177 8.745 481 HG3 PRO 60 1HG PRO 60 -13.551 -14.880 7.339 482 HD2 PRO 60 2HD PRO 60 -14.231 -16.148 9.965 483 HD3 PRO 60 1HD PRO 60 -14.359 -16.806 8.315 484 H LYS 61 H LYS 61 -8.959 -15.541 9.774 485 HA LYS 61 HA LYS 61 -9.602 -15.734 12.607 486 HB2 LYS 61 2HB LYS 61 -7.293 -16.992 11.159 487 HB3 LYS 61 1HB LYS 61 -7.433 -16.919 12.912 488 HG2 LYS 61 2HG LYS 61 -9.520 -18.189 12.811 489 HG3 LYS 61 1HG LYS 61 -9.402 -18.251 11.055 490 HD2 LYS 61 2HD LYS 61 -8.649 -20.344 12.042 491 HD3 LYS 61 1HD LYS 61 -7.309 -19.508 11.256 492 HE2 LYS 61 2HE LYS 61 -6.520 -18.699 13.410 493 HE3 LYS 61 1HE LYS 61 -7.899 -19.449 14.213 494 HZ1 LYS 61 3HZ LYS 61 -5.871 -20.940 12.661 495 HZ2 LYS 61 1HZ LYS 61 -7.079 -21.591 13.635 496 HZ3 LYS 61 2HZ LYS 61 -5.794 -20.728 14.329 497 H VAL 62 H VAL 62 -9.359 -13.925 13.543 498 HA VAL 62 HA VAL 62 -6.760 -12.702 13.691 499 HB VAL 62 HB VAL 62 -7.721 -10.362 13.545 500 HG11 VAL 62 1HG1 VAL 62 -7.926 -11.936 10.986 501 HG12 VAL 62 2HG1 VAL 62 -6.469 -11.197 11.647 502 HG13 VAL 62 3HG1 VAL 62 -7.803 -10.181 11.098 503 HG21 VAL 62 3HG2 VAL 62 -9.857 -10.006 12.386 504 HG22 VAL 62 1HG2 VAL 62 -10.059 -10.898 13.893 505 HG23 VAL 62 2HG2 VAL 62 -10.116 -11.750 12.351 506 H GLY 63 H GLY 63 -6.712 -11.228 15.639 507 HA2 GLY 63 2HA GLY 63 -8.935 -11.793 17.462 508 HA3 GLY 63 1HA GLY 63 -7.271 -12.088 17.953 509 H ASN 64 H ASN 64 -8.722 -9.459 16.095 510 HA ASN 64 HA ASN 64 -8.659 -7.477 18.012 511 HB2 ASN 64 2HB ASN 64 -6.231 -7.748 18.141 512 HB3 ASN 64 1HB ASN 64 -6.096 -7.555 16.398 513 HD21 ASN 64 1HD2 ASN 64 -5.845 -5.560 15.592 514 HD22 ASN 64 2HD2 ASN 64 -5.984 -4.116 16.528 515 H LEU 65 H LEU 65 -7.942 -8.136 14.647 516 HA LEU 65 HA LEU 65 -8.882 -5.630 13.711 517 HB2 LEU 65 2HB LEU 65 -8.245 -8.197 12.307 518 HB3 LEU 65 1HB LEU 65 -8.692 -6.722 11.474 519 HG LEU 65 HG LEU 65 -6.297 -6.986 13.279 520 HD11 LEU 65 1HD1 LEU 65 -4.989 -7.035 11.282 521 HD12 LEU 65 2HD1 LEU 65 -6.438 -6.944 10.277 522 HD13 LEU 65 3HD1 LEU 65 -6.128 -8.381 11.257 523 HD21 LEU 65 3HD2 LEU 65 -5.657 -4.859 12.174 524 HD22 LEU 65 1HD2 LEU 65 -7.115 -4.718 13.161 525 HD23 LEU 65 2HD2 LEU 65 -7.245 -4.827 11.411 526 HA PRO 66 HA PRO 66 -13.217 -6.599 13.158 527 HB2 PRO 66 2HB PRO 66 -13.183 -4.798 10.828 528 HB3 PRO 66 1HB PRO 66 -14.079 -4.636 12.338 529 HG2 PRO 66 2HG PRO 66 -12.007 -3.034 11.759 530 HG3 PRO 66 1HG PRO 66 -12.333 -3.573 13.416 531 HD2 PRO 66 2HD PRO 66 -10.318 -4.595 11.452 532 HD3 PRO 66 1HD PRO 66 -10.150 -4.266 13.194 533 H GLN 67 H GLN 67 -14.652 -7.492 11.524 534 HA GLN 67 HA GLN 67 -13.529 -9.612 10.142 535 HB2 GLN 67 2HB GLN 67 -15.812 -9.681 10.948 536 HB3 GLN 67 1HB GLN 67 -16.286 -8.397 9.852 537 HG2 GLN 67 2HG GLN 67 -15.781 -9.868 7.949 538 HG3 GLN 67 1HG GLN 67 -15.389 -11.157 9.081 539 HE21 GLN 67 1HE2 GLN 67 -17.943 -9.195 7.769 540 HE22 GLN 67 2HE2 GLN 67 -19.238 -10.221 8.288 541 H TYR 68 H TYR 68 -14.564 -6.463 8.861 542 HA TYR 68 HA TYR 68 -14.168 -7.218 6.186 543 HB2 TYR 68 2HB TYR 68 -14.027 -4.692 5.673 544 HB3 TYR 68 1HB TYR 68 -15.513 -5.303 6.364 545 HD1 TYR 68 1HD TYR 68 -12.276 -3.843 7.526 546 HD2 TYR 68 2HD TYR 68 -16.482 -4.041 8.023 547 HE1 TYR 68 1HE TYR 68 -12.142 -2.146 9.290 548 HE2 TYR 68 2HE TYR 68 -16.356 -2.349 9.798 549 HH TYR 68 HH TYR 68 -13.430 -0.622 10.409 550 H GLU 69 H GLU 69 -11.836 -5.979 8.480 551 HA GLU 69 HA GLU 69 -9.759 -5.681 6.511 552 HB2 GLU 69 2HB GLU 69 -9.512 -6.019 9.512 553 HB3 GLU 69 1HB GLU 69 -8.228 -5.512 8.432 554 HG2 GLU 69 2HG GLU 69 -10.736 -3.986 9.091 555 HG3 GLU 69 1HG GLU 69 -9.112 -3.635 9.663 556 H SER 70 H SER 70 -10.870 -8.089 8.759 557 HA SER 70 HA SER 70 -8.835 -9.971 8.580 558 HB2 SER 70 2HB SER 70 -10.654 -9.937 10.272 559 HB3 SER 70 1HB SER 70 -11.794 -10.404 9.019 560 HG SER 70 HG SER 70 -11.118 -12.120 10.247 561 H GLU 71 H GLU 71 -11.820 -9.597 6.652 562 HA GLU 71 HA GLU 71 -11.433 -11.859 5.051 563 HB2 GLU 71 2HB GLU 71 -13.599 -10.704 5.174 564 HB3 GLU 71 1HB GLU 71 -12.912 -9.315 4.341 565 HG2 GLU 71 2HG GLU 71 -12.573 -10.615 2.345 566 HG3 GLU 71 1HG GLU 71 -13.088 -12.079 3.170 567 H ALA 72 H ALA 72 -10.265 -8.563 4.701 568 HA ALA 72 HA ALA 72 -9.172 -8.788 2.108 569 HB1 ALA 72 1HB ALA 72 -8.175 -7.107 4.413 570 HB2 ALA 72 2HB ALA 72 -9.433 -6.637 3.270 571 HB3 ALA 72 3HB ALA 72 -7.775 -6.875 2.710 572 H ILE 73 H ILE 73 -7.830 -9.489 5.275 573 HA ILE 73 HA ILE 73 -5.300 -10.303 4.306 574 HB ILE 73 HB ILE 73 -6.657 -11.066 6.912 575 HG12 ILE 73 2HG1 ILE 73 -4.663 -8.876 6.287 576 HG13 ILE 73 1HG1 ILE 73 -6.370 -8.640 6.645 577 HG21 ILE 73 1HG2 ILE 73 -3.749 -11.253 6.100 578 HG22 ILE 73 2HG2 ILE 73 -4.842 -12.611 6.354 579 HG23 ILE 73 3HG2 ILE 73 -4.383 -11.583 7.713 580 HD11 ILE 73 3HD1 ILE 73 -6.007 -9.512 8.898 581 HD12 ILE 73 1HD1 ILE 73 -4.977 -8.120 8.561 582 HD13 ILE 73 2HD1 ILE 73 -4.299 -9.747 8.524 583 H MET 74 H MET 74 -8.259 -12.072 5.113 584 HA MET 74 HA MET 74 -7.246 -14.678 4.694 585 HB2 MET 74 2HB MET 74 -10.064 -13.680 4.400 586 HB3 MET 74 1HB MET 74 -9.604 -15.368 4.392 587 HG2 MET 74 2HG MET 74 -9.211 -13.484 6.712 588 HG3 MET 74 1HG MET 74 -10.577 -14.564 6.523 589 HE1 MET 74 3HE MET 74 -7.005 -14.081 7.840 590 HE2 MET 74 1HE MET 74 -6.474 -14.891 6.370 591 HE3 MET 74 2HE MET 74 -6.317 -15.699 7.917 592 H VAL 75 H VAL 75 -8.799 -12.497 2.373 593 HA VAL 75 HA VAL 75 -8.658 -14.422 0.300 594 HB VAL 75 HB VAL 75 -8.960 -11.396 0.110 595 HG11 VAL 75 1HG1 VAL 75 -9.694 -11.757 -2.212 596 HG12 VAL 75 2HG1 VAL 75 -9.309 -13.473 -2.068 597 HG13 VAL 75 3HG1 VAL 75 -8.021 -12.274 -1.992 598 HG21 VAL 75 3HG2 VAL 75 -10.827 -12.494 1.200 599 HG22 VAL 75 1HG2 VAL 75 -10.943 -13.658 -0.119 600 HG23 VAL 75 2HG2 VAL 75 -11.312 -11.970 -0.415 601 H ALA 76 H ALA 76 -6.495 -11.826 1.320 602 HA ALA 76 HA ALA 76 -4.589 -12.162 -0.731 603 HB1 ALA 76 1HB ALA 76 -3.045 -10.969 0.741 604 HB2 ALA 76 2HB ALA 76 -4.135 -11.221 2.103 605 HB3 ALA 76 3HB ALA 76 -4.632 -10.198 0.757 606 H PHE 77 H PHE 77 -5.148 -13.755 2.264 607 HA PHE 77 HA PHE 77 -2.795 -15.281 2.455 608 HB2 PHE 77 2HB PHE 77 -4.308 -14.800 4.340 609 HB3 PHE 77 1HB PHE 77 -5.562 -15.753 3.573 610 HD1 PHE 77 1HD PHE 77 -2.282 -15.891 5.213 611 HD2 PHE 77 2HD PHE 77 -5.634 -18.097 3.838 612 HE1 PHE 77 1HE PHE 77 -1.497 -17.867 6.467 613 HE2 PHE 77 2HE PHE 77 -4.849 -20.071 5.083 614 HZ PHE 77 HZ PHE 77 -2.777 -19.942 6.397 615 H GLU 78 H GLU 78 -6.011 -15.958 1.066 616 HA GLU 78 HA GLU 78 -5.228 -18.611 0.426 617 HB2 GLU 78 2HB GLU 78 -7.417 -18.937 -0.589 618 HB3 GLU 78 1HB GLU 78 -7.581 -18.135 0.955 619 HG2 GLU 78 2HG GLU 78 -9.113 -16.966 -0.273 620 HG3 GLU 78 1HG GLU 78 -7.676 -15.987 -0.543 621 H LEU 79 H LEU 79 -5.067 -15.640 -1.261 622 HA LEU 79 HA LEU 79 -4.447 -16.865 -3.835 623 HB2 LEU 79 2HB LEU 79 -4.333 -14.031 -2.865 624 HB3 LEU 79 1HB LEU 79 -3.913 -14.523 -4.492 625 HG LEU 79 HG LEU 79 -6.603 -14.819 -3.208 626 HD11 LEU 79 1HD1 LEU 79 -6.010 -12.478 -3.632 627 HD12 LEU 79 2HD1 LEU 79 -7.262 -13.013 -4.752 628 HD13 LEU 79 3HD1 LEU 79 -5.591 -12.879 -5.296 629 HD21 LEU 79 3HD2 LEU 79 -5.623 -15.377 -6.006 630 HD22 LEU 79 1HD2 LEU 79 -7.324 -15.331 -5.508 631 HD23 LEU 79 2HD2 LEU 79 -6.256 -16.524 -4.807 632 H ASN 80 H ASN 80 -2.797 -15.988 -1.034 633 HA ASN 80 HA ASN 80 -0.641 -15.578 -0.411 634 HB2 ASN 80 2HB ASN 80 -0.241 -17.817 -1.565 635 HB3 ASN 80 1HB ASN 80 0.166 -16.929 -3.030 636 HD21 ASN 80 1HD2 ASN 80 1.031 -16.084 0.281 637 HD22 ASN 80 2HD2 ASN 80 2.721 -16.227 0.071 638 H ALA 81 H ALA 81 -1.868 -13.598 -1.261 639 HA ALA 81 HA ALA 81 -0.629 -12.325 -3.584 640 HB1 ALA 81 1HB ALA 81 -2.489 -10.786 -3.499 641 HB2 ALA 81 2HB ALA 81 -3.045 -11.511 -1.993 642 HB3 ALA 81 3HB ALA 81 -3.066 -12.453 -3.485 643 H LEU 82 H LEU 82 -0.606 -9.883 -3.340 644 HA LEU 82 HA LEU 82 1.178 -9.189 -1.151 645 HB2 LEU 82 2HB LEU 82 1.502 -8.680 -3.685 646 HB3 LEU 82 1HB LEU 82 0.205 -7.535 -3.503 647 HG LEU 82 HG LEU 82 2.377 -6.448 -3.576 648 HD11 LEU 82 1HD1 LEU 82 2.268 -5.067 -1.584 649 HD12 LEU 82 2HD1 LEU 82 1.131 -6.206 -0.859 650 HD13 LEU 82 3HD1 LEU 82 0.682 -5.315 -2.313 651 HD21 LEU 82 3HD2 LEU 82 3.749 -8.221 -2.687 652 HD22 LEU 82 1HD2 LEU 82 3.021 -8.015 -1.094 653 HD23 LEU 82 2HD2 LEU 82 4.011 -6.729 -1.784 654 H LEU 83 H LEU 83 0.298 -8.030 0.589 655 HA LEU 83 HA LEU 83 -2.470 -7.161 0.171 656 HB2 LEU 83 2HB LEU 83 -2.182 -8.765 2.008 657 HB3 LEU 83 1HB LEU 83 -1.057 -7.672 2.788 658 HG LEU 83 HG LEU 83 -2.901 -6.003 3.010 659 HD11 LEU 83 1HD1 LEU 83 -5.211 -6.747 2.741 660 HD12 LEU 83 2HD1 LEU 83 -4.640 -8.256 2.034 661 HD13 LEU 83 3HD1 LEU 83 -4.338 -6.724 1.210 662 HD21 LEU 83 3HD2 LEU 83 -2.327 -7.438 4.874 663 HD22 LEU 83 1HD2 LEU 83 -3.409 -8.691 4.263 664 HD23 LEU 83 2HD2 LEU 83 -4.068 -7.155 4.819 665 H ILE 84 H ILE 84 -2.825 -5.138 -0.112 666 HA ILE 84 HA ILE 84 -0.816 -3.208 0.741 667 HB ILE 84 HB ILE 84 -3.320 -2.756 -0.931 668 HG12 ILE 84 2HG1 ILE 84 -0.454 -3.077 -1.869 669 HG13 ILE 84 1HG1 ILE 84 -1.693 -4.318 -2.009 670 HG21 ILE 84 1HG2 ILE 84 -2.203 -0.649 -1.555 671 HG22 ILE 84 2HG2 ILE 84 -0.865 -1.040 -0.477 672 HG23 ILE 84 3HG2 ILE 84 -2.472 -0.740 0.187 673 HD11 ILE 84 3HD1 ILE 84 -2.975 -2.872 -3.481 674 HD12 ILE 84 1HD1 ILE 84 -1.348 -3.138 -4.108 675 HD13 ILE 84 2HD1 ILE 84 -1.756 -1.613 -3.316 676 H ALA 85 H ALA 85 -1.107 -2.492 2.723 677 HA ALA 85 HA ALA 85 -3.851 -2.170 3.669 678 HB1 ALA 85 1HB ALA 85 -3.170 -2.979 5.865 679 HB2 ALA 85 2HB ALA 85 -1.548 -3.293 5.248 680 HB3 ALA 85 3HB ALA 85 -2.918 -4.209 4.626 681 H GLU 86 H GLU 86 -3.791 -0.894 5.758 682 HA GLU 86 HA GLU 86 -1.915 1.342 5.406 683 HB2 GLU 86 2HB GLU 86 -4.522 1.494 4.801 684 HB3 GLU 86 1HB GLU 86 -4.636 1.784 6.523 685 HG2 GLU 86 2HG GLU 86 -3.075 3.378 4.531 686 HG3 GLU 86 1HG GLU 86 -4.579 3.852 5.292 687 H ASP 87 H ASP 87 -4.358 0.067 7.711 688 HA ASP 87 HA ASP 87 -3.029 0.991 9.989 689 HB2 ASP 87 2HB ASP 87 -5.372 0.497 10.174 690 HB3 ASP 87 1HB ASP 87 -5.112 -1.178 9.698 691 H LYS 88 H LYS 88 -1.703 0.151 11.333 692 HA LYS 88 HA LYS 88 0.374 -1.451 10.421 693 HB2 LYS 88 2HB LYS 88 -0.358 -0.756 13.238 694 HB3 LYS 88 1HB LYS 88 1.207 -1.338 12.697 695 HG2 LYS 88 2HG LYS 88 1.613 0.645 11.441 696 HG3 LYS 88 1HG LYS 88 -0.033 1.217 11.707 697 HD2 LYS 88 2HD LYS 88 1.992 0.768 13.907 698 HD3 LYS 88 1HD LYS 88 1.660 2.331 13.157 699 HE2 LYS 88 2HE LYS 88 -0.661 2.194 13.889 700 HE3 LYS 88 1HE LYS 88 -0.359 0.614 14.598 701 HZ1 LYS 88 3HZ LYS 88 0.844 3.179 15.467 702 HZ2 LYS 88 1HZ LYS 88 1.193 1.644 16.132 703 HZ3 LYS 88 2HZ LYS 88 -0.363 2.281 16.241 704 H ASP 89 H ASP 89 -2.488 -2.372 12.333 705 HA ASP 89 HA ASP 89 -1.269 -4.840 13.167 706 HB2 ASP 89 2HB ASP 89 -2.950 -3.591 14.539 707 HB3 ASP 89 1HB ASP 89 -4.178 -4.068 13.370 708 H VAL 90 H VAL 90 -3.400 -3.727 10.701 709 HA VAL 90 HA VAL 90 -4.223 -6.235 9.650 710 HB VAL 90 HB VAL 90 -3.715 -3.681 8.071 711 HG11 VAL 90 1HG1 VAL 90 -5.520 -6.029 7.483 712 HG12 VAL 90 2HG1 VAL 90 -4.011 -5.644 6.659 713 HG13 VAL 90 3HG1 VAL 90 -5.397 -4.562 6.512 714 HG21 VAL 90 3HG2 VAL 90 -6.069 -3.137 8.410 715 HG22 VAL 90 1HG2 VAL 90 -5.223 -3.253 9.954 716 HG23 VAL 90 2HG2 VAL 90 -6.263 -4.573 9.417 717 H ILE 91 H ILE 91 -1.493 -4.145 9.023 718 HA ILE 91 HA ILE 91 -0.184 -5.703 7.081 719 HB ILE 91 HB ILE 91 1.009 -3.787 9.118 720 HG12 ILE 91 2HG1 ILE 91 0.225 -3.281 6.248 721 HG13 ILE 91 1HG1 ILE 91 -0.761 -2.817 7.632 722 HG21 ILE 91 1HG2 ILE 91 2.162 -4.848 6.536 723 HG22 ILE 91 2HG2 ILE 91 2.730 -5.197 8.174 724 HG23 ILE 91 3HG2 ILE 91 2.870 -3.567 7.516 725 HD11 ILE 91 3HD1 ILE 91 0.484 -0.932 6.745 726 HD12 ILE 91 1HD1 ILE 91 1.999 -1.802 6.980 727 HD13 ILE 91 2HD1 ILE 91 1.032 -1.322 8.375 728 H ASN 92 H ASN 92 0.235 -5.476 10.585 729 HA ASN 92 HA ASN 92 2.241 -7.368 10.901 730 HB2 ASN 92 2HB ASN 92 1.855 -5.918 12.731 731 HB3 ASN 92 1HB ASN 92 0.150 -6.350 12.806 732 HD21 ASN 92 1HD2 ASN 92 -0.471 -8.065 13.984 733 HD22 ASN 92 2HD2 ASN 92 0.574 -9.101 14.873 734 H LYS 93 H LYS 93 -1.280 -7.902 11.247 735 HA LYS 93 HA LYS 93 -0.945 -10.633 11.900 736 HB2 LYS 93 2HB LYS 93 -3.374 -9.188 10.852 737 HB3 LYS 93 1HB LYS 93 -3.387 -10.864 11.373 738 HG2 LYS 93 2HG LYS 93 -2.759 -8.461 13.082 739 HG3 LYS 93 1HG LYS 93 -4.237 -9.420 13.122 740 HD2 LYS 93 2HD LYS 93 -1.461 -10.426 13.815 741 HD3 LYS 93 1HD LYS 93 -2.707 -9.994 14.968 742 HE2 LYS 93 2HE LYS 93 -4.152 -11.780 14.078 743 HE3 LYS 93 1HE LYS 93 -2.889 -12.214 12.927 744 HZ1 LYS 93 3HZ LYS 93 -2.977 -13.598 14.953 745 HZ2 LYS 93 1HZ LYS 93 -2.534 -12.258 15.860 746 HZ3 LYS 93 2HZ LYS 93 -1.453 -12.876 14.720 747 H ALA 94 H ALA 94 -1.272 -9.004 8.856 748 HA ALA 94 HA ALA 94 -1.714 -11.308 7.316 749 HB1 ALA 94 1HB ALA 94 -1.003 -9.948 5.428 750 HB2 ALA 94 2HB ALA 94 -0.369 -8.738 6.548 751 HB3 ALA 94 3HB ALA 94 -2.101 -9.056 6.483 752 H LYS 95 H LYS 95 1.273 -9.588 8.227 753 HA LYS 95 HA LYS 95 2.829 -11.498 6.825 754 HB2 LYS 95 2HB LYS 95 4.841 -10.429 7.827 755 HB3 LYS 95 1HB LYS 95 3.777 -9.339 6.957 756 HG2 LYS 95 2HG LYS 95 2.935 -8.448 9.032 757 HG3 LYS 95 1HG LYS 95 3.871 -9.619 9.958 758 HD2 LYS 95 2HD LYS 95 4.981 -7.439 9.929 759 HD3 LYS 95 1HD LYS 95 5.950 -8.645 9.083 760 HE2 LYS 95 2HE LYS 95 5.054 -7.798 6.927 761 HE3 LYS 95 1HE LYS 95 4.161 -6.570 7.811 762 HZ1 LYS 95 3HZ LYS 95 6.228 -5.714 6.913 763 HZ2 LYS 95 1HZ LYS 95 7.116 -6.850 7.780 764 HZ3 LYS 95 2HZ LYS 95 6.235 -5.647 8.575 765 H GLU 96 H GLU 96 1.579 -11.432 10.005 766 HA GLU 96 HA GLU 96 3.187 -13.474 11.109 767 HB2 GLU 96 2HB GLU 96 0.292 -12.760 11.560 768 HB3 GLU 96 1HB GLU 96 1.043 -14.114 12.374 769 HG2 GLU 96 2HG GLU 96 2.679 -12.528 13.366 770 HG3 GLU 96 1HG GLU 96 1.770 -11.205 12.629 771 H LEU 97 H LEU 97 0.424 -13.494 8.994 772 HA LEU 97 HA LEU 97 0.278 -16.365 8.915 773 HB2 LEU 97 2HB LEU 97 -1.185 -14.245 7.360 774 HB3 LEU 97 1HB LEU 97 -1.533 -15.959 7.287 775 HG LEU 97 HG LEU 97 -1.823 -14.225 9.742 776 HD11 LEU 97 1HD1 LEU 97 -3.479 -13.703 8.056 777 HD12 LEU 97 2HD1 LEU 97 -4.218 -14.545 9.416 778 HD13 LEU 97 3HD1 LEU 97 -3.894 -15.411 7.914 779 HD21 LEU 97 3HD2 LEU 97 -1.272 -16.523 10.339 780 HD22 LEU 97 1HD2 LEU 97 -2.543 -17.120 9.270 781 HD23 LEU 97 2HD2 LEU 97 -2.963 -16.181 10.700 782 H GLY 98 H GLY 98 2.257 -14.153 7.511 783 HA2 GLY 98 2HA GLY 98 4.058 -14.776 6.121 784 HA3 GLY 98 1HA GLY 98 3.117 -16.141 5.547 785 H VAL 99 H VAL 99 1.349 -13.294 5.591 786 HA VAL 99 HA VAL 99 1.515 -13.135 2.702 787 HB VAL 99 HB VAL 99 -0.348 -11.762 4.659 788 HG11 VAL 99 1HG1 VAL 99 -1.723 -11.217 2.697 789 HG12 VAL 99 2HG1 VAL 99 -0.495 -11.926 1.647 790 HG13 VAL 99 3HG1 VAL 99 -0.121 -10.485 2.592 791 HG21 VAL 99 3HG2 VAL 99 -0.702 -14.162 4.646 792 HG22 VAL 99 1HG2 VAL 99 -0.836 -14.152 2.887 793 HG23 VAL 99 2HG2 VAL 99 -2.056 -13.339 3.868 794 H ASN 100 H ASN 100 2.658 -11.554 1.767 795 HA ASN 100 HA ASN 100 4.088 -9.711 3.430 796 HB2 ASN 100 2HB ASN 100 5.094 -10.689 1.355 797 HB3 ASN 100 1HB ASN 100 3.965 -9.730 0.411 798 HD21 ASN 100 1HD2 ASN 100 4.228 -7.493 0.320 799 HD22 ASN 100 2HD2 ASN 100 5.706 -6.708 0.743 800 H ALA 101 H ALA 101 2.714 -8.406 4.372 801 HA ALA 101 HA ALA 101 1.018 -6.699 2.731 802 HB1 ALA 101 1HB ALA 101 -0.004 -7.713 4.702 803 HB2 ALA 101 2HB ALA 101 0.063 -5.956 4.852 804 HB3 ALA 101 3HB ALA 101 1.221 -6.962 5.725 805 H ILE 102 H ILE 102 1.304 -4.538 2.659 806 HA ILE 102 HA ILE 102 3.473 -3.354 4.147 807 HB ILE 102 HB ILE 102 4.127 -2.081 1.996 808 HG12 ILE 102 2HG1 ILE 102 4.060 -3.558 -0.091 809 HG13 ILE 102 1HG1 ILE 102 2.841 -4.511 0.734 810 HG21 ILE 102 1HG2 ILE 102 5.661 -3.471 3.143 811 HG22 ILE 102 2HG2 ILE 102 5.842 -3.686 1.404 812 HG23 ILE 102 3HG2 ILE 102 5.003 -4.908 2.361 813 HD11 ILE 102 3HD1 ILE 102 1.855 -2.942 -0.845 814 HD12 ILE 102 1HD1 ILE 102 2.622 -1.602 0.010 815 HD13 ILE 102 2HD1 ILE 102 1.377 -2.564 0.811 816 HA PRO 103 HA PRO 103 0.624 0.036 4.288 817 HB2 PRO 103 2HB PRO 103 2.434 2.108 4.547 818 HB3 PRO 103 1HB PRO 103 1.846 1.138 5.897 819 HG2 PRO 103 2HG PRO 103 4.438 1.058 4.496 820 HG3 PRO 103 1HG PRO 103 4.049 0.612 6.159 821 HD2 PRO 103 2HD PRO 103 4.509 -1.178 4.095 822 HD3 PRO 103 1HD PRO 103 3.647 -1.557 5.592 823 H ILE 104 H ILE 104 0.089 1.915 3.087 824 HA ILE 104 HA ILE 104 0.137 1.441 0.362 825 HB ILE 104 HB ILE 104 -0.606 3.926 1.887 826 HG12 ILE 104 2HG1 ILE 104 -2.226 1.670 0.708 827 HG13 ILE 104 1HG1 ILE 104 -1.847 1.884 2.410 828 HG21 ILE 104 1HG2 ILE 104 -1.094 3.244 -1.004 829 HG22 ILE 104 2HG2 ILE 104 -0.149 4.607 -0.400 830 HG23 ILE 104 3HG2 ILE 104 -1.899 4.558 -0.159 831 HD11 ILE 104 3HD1 ILE 104 -4.097 2.569 1.869 832 HD12 ILE 104 1HD1 ILE 104 -3.463 3.727 0.708 833 HD13 ILE 104 2HD1 ILE 104 -3.134 3.935 2.436 834 H GLU 105 H GLU 105 2.017 3.806 2.166 835 HA GLU 105 HA GLU 105 3.182 5.011 -0.063 836 HB2 GLU 105 2HB GLU 105 4.076 4.882 2.801 837 HB3 GLU 105 1HB GLU 105 4.991 5.725 1.559 838 HG2 GLU 105 2HG GLU 105 3.545 7.206 2.929 839 HG3 GLU 105 1HG GLU 105 3.242 7.286 1.200 840 H GLU 106 H GLU 106 3.929 1.985 1.415 841 HA GLU 106 HA GLU 106 6.544 1.804 0.241 842 HB2 GLU 106 2HB GLU 106 4.761 -0.249 1.517 843 HB3 GLU 106 1HB GLU 106 6.332 -0.653 0.836 844 HG2 GLU 106 2HG GLU 106 5.802 1.277 3.075 845 HG3 GLU 106 1HG GLU 106 6.465 -0.356 3.246 846 H LEU 107 H LEU 107 3.297 0.927 -0.609 847 HA LEU 107 HA LEU 107 4.036 -0.601 -2.906 848 HB2 LEU 107 2HB LEU 107 1.780 -0.691 -1.681 849 HB3 LEU 107 1HB LEU 107 1.408 0.841 -2.419 850 HG LEU 107 HG LEU 107 0.308 -1.142 -3.499 851 HD11 LEU 107 1HD1 LEU 107 0.533 0.903 -4.754 852 HD12 LEU 107 2HD1 LEU 107 0.694 -0.513 -5.792 853 HD13 LEU 107 3HD1 LEU 107 2.127 0.395 -5.310 854 HD21 LEU 107 3HD2 LEU 107 1.615 -2.598 -4.937 855 HD22 LEU 107 1HD2 LEU 107 2.125 -2.742 -3.257 856 HD23 LEU 107 2HD2 LEU 107 3.101 -1.820 -4.403 857 H LEU 108 H LEU 108 3.209 2.732 -2.222 858 HA LEU 108 HA LEU 108 3.423 3.745 -4.852 859 HB2 LEU 108 2HB LEU 108 4.019 5.141 -2.240 860 HB3 LEU 108 1HB LEU 108 3.754 5.927 -3.779 861 HG LEU 108 HG LEU 108 1.686 4.343 -2.261 862 HD11 LEU 108 1HD1 LEU 108 0.652 6.508 -1.839 863 HD12 LEU 108 2HD1 LEU 108 2.000 7.309 -2.649 864 HD13 LEU 108 3HD1 LEU 108 2.273 6.433 -1.146 865 HD21 LEU 108 3HD2 LEU 108 0.112 5.260 -3.898 866 HD22 LEU 108 1HD2 LEU 108 1.331 4.260 -4.681 867 HD23 LEU 108 2HD2 LEU 108 1.446 6.016 -4.766 868 H ALA 109 H ALA 109 5.784 3.155 -2.321 869 HA ALA 109 HA ALA 109 8.005 4.240 -3.738 870 HB1 ALA 109 1HB ALA 109 7.979 2.276 -1.445 871 HB2 ALA 109 2HB ALA 109 7.975 4.030 -1.284 872 HB3 ALA 109 3HB ALA 109 9.370 3.214 -1.989 873 H SER 110 H SER 110 6.217 1.451 -4.168 874 HA SER 110 HA SER 110 8.404 -0.019 -5.381 875 HB2 SER 110 2HB SER 110 5.498 -0.774 -4.967 876 HB3 SER 110 1HB SER 110 6.744 -1.842 -5.618 877 HG SER 110 HG SER 110 6.637 -0.685 -3.017 878 H SER 111 H SER 111 6.544 2.458 -6.221 879 HA SER 111 HA SER 111 6.095 1.697 -8.966 880 HB2 SER 111 2HB SER 111 4.510 3.258 -7.812 881 HB3 SER 111 1HB SER 111 5.839 4.377 -7.539 882 HG SER 111 HG SER 111 4.237 4.294 -9.605 883 H LEU 112 H LEU 112 7.174 3.218 -10.598 884 HA LEU 112 HA LEU 112 9.095 3.877 -11.651 885 HB2 LEU 112 2HB LEU 112 9.997 4.698 -8.872 886 HB3 LEU 112 1HB LEU 112 10.742 5.201 -10.371 887 HG LEU 112 HG LEU 112 7.966 5.948 -9.443 888 HD11 LEU 112 1HD1 LEU 112 8.902 8.189 -9.175 889 HD12 LEU 112 2HD1 LEU 112 10.497 7.571 -9.602 890 HD13 LEU 112 3HD1 LEU 112 9.701 7.017 -8.127 891 HD21 LEU 112 3HD2 LEU 112 7.987 7.509 -11.339 892 HD22 LEU 112 1HD2 LEU 112 8.089 5.831 -11.872 893 HD23 LEU 112 2HD2 LEU 112 9.535 6.841 -11.865 894 H GLU 113 H GLU 113 8.768 1.219 -10.611 895 HA GLU 113 HA GLU 113 11.047 0.231 -9.374 896 HB2 GLU 113 2HB GLU 113 10.204 -2.049 -10.415 897 HB3 GLU 113 1HB GLU 113 9.359 -1.264 -9.098 898 HG2 GLU 113 2HG GLU 113 7.812 -2.125 -10.781 899 HG3 GLU 113 1HG GLU 113 7.705 -0.378 -10.648 900 H HIS 114 H HIS 114 10.437 0.469 -12.807 901 HA HIS 114 HA HIS 114 13.011 -0.731 -13.408 902 HB2 HIS 114 2HB HIS 114 12.567 -0.347 -15.753 903 HB3 HIS 114 1HB HIS 114 11.077 -0.894 -15.018 904 HD1 HIS 114 1HD HIS 114 12.452 1.727 -17.099 905 HD2 HIS 114 2HD HIS 114 9.168 1.290 -14.617 906 HE1 HIS 114 1HE HIS 114 10.905 3.629 -17.681 907 HE2 HIS 114 2HE HIS 114 9.004 3.420 -16.052 908 H HIS 115 H HIS 115 12.156 2.100 -12.203 909 HA HIS 115 HA HIS 115 12.978 4.063 -11.848 910 HB2 HIS 115 2HB HIS 115 15.461 2.412 -11.820 911 HB3 HIS 115 1HB HIS 115 15.517 4.127 -11.414 912 HD1 HIS 115 1HD HIS 115 14.437 0.796 -10.099 913 HD2 HIS 115 2HD HIS 115 14.184 4.794 -8.978 914 HE1 HIS 115 1HE HIS 115 13.713 0.786 -7.711 915 HE2 HIS 115 2HE HIS 115 13.679 3.186 -7.014 916 H HIS 116 H HIS 116 15.832 3.511 -13.815 917 HA HIS 116 HA HIS 116 14.909 5.830 -15.364 918 HB2 HIS 116 2HB HIS 116 16.679 6.410 -13.694 919 HB3 HIS 116 1HB HIS 116 17.761 5.286 -14.506 920 HD1 HIS 116 1HD HIS 116 19.071 6.214 -16.504 921 HD2 HIS 116 2HD HIS 116 15.962 8.703 -15.299 922 HE1 HIS 116 1HE HIS 116 19.373 8.341 -17.762 923 HE2 HIS 116 2HE HIS 116 17.773 9.897 -16.653 924 H HIS 117 H HIS 117 14.891 5.553 -17.469 925 HA HIS 117 HA HIS 117 16.736 3.728 -18.766 926 HB2 HIS 117 2HB HIS 117 14.704 2.423 -18.242 927 HB3 HIS 117 1HB HIS 117 13.725 3.608 -19.092 928 HD1 HIS 117 1HD HIS 117 16.085 0.773 -19.657 929 HD2 HIS 117 2HD HIS 117 13.784 3.392 -21.896 930 HE1 HIS 117 1HE HIS 117 16.067 -0.173 -21.987 931 HE2 HIS 117 2HE HIS 117 14.409 1.281 -23.213 932 H HIS 118 H HIS 118 17.676 5.094 -20.149 933 HA HIS 118 HA HIS 118 16.431 7.483 -21.050 934 HB2 HIS 118 2HB HIS 118 18.861 7.334 -20.752 935 HB3 HIS 118 1HB HIS 118 18.959 6.135 -22.037 936 HD1 HIS 118 1HD HIS 118 18.288 9.789 -21.450 937 HD2 HIS 118 2HD HIS 118 19.106 7.210 -24.595 938 HE1 HIS 118 1HE HIS 118 18.728 11.257 -23.429 939 HE2 HIS 118 2HE HIS 118 19.473 9.677 -25.234 940 H HIS 119 H HIS 119 14.849 7.538 -22.442 941 HA HIS 119 HA HIS 119 15.168 6.365 -25.042 942 HB2 HIS 119 2HB HIS 119 13.948 4.590 -23.752 943 HB3 HIS 119 1HB HIS 119 12.694 5.771 -23.380 944 HD1 HIS 119 1HD HIS 119 10.907 6.187 -25.184 945 HD2 HIS 119 2HD HIS 119 14.030 3.771 -26.490 946 HE1 HIS 119 1HE HIS 119 10.209 5.342 -27.407 947 HE2 HIS 119 2HE HIS 119 12.100 3.873 -28.191 Start of MODEL 10 1 H1 MET 1 1HT MET 1 1.657 -11.630 -10.634 2 H2 MET 1 2HT MET 1 0.991 -10.075 -10.477 3 H3 MET 1 3HT MET 1 -0.007 -11.355 -10.801 4 HA MET 1 HA MET 1 0.365 -12.280 -8.670 5 HB2 MET 1 2HB MET 1 2.701 -11.392 -8.417 6 HB3 MET 1 1HB MET 1 2.031 -9.786 -8.221 7 HG2 MET 1 2HG MET 1 0.938 -10.470 -6.157 8 HG3 MET 1 1HG MET 1 1.550 -12.110 -6.365 9 HE1 MET 1 2HE MET 1 3.690 -10.810 -3.347 10 HE2 MET 1 3HE MET 1 2.634 -12.093 -3.931 11 HE3 MET 1 1HE MET 1 1.993 -10.470 -3.678 12 H PHE 2 H PHE 2 -1.276 -11.774 -7.212 13 HA PHE 2 HA PHE 2 -2.913 -9.535 -8.022 14 HB2 PHE 2 2HB PHE 2 -3.408 -11.728 -5.981 15 HB3 PHE 2 1HB PHE 2 -4.579 -10.506 -6.446 16 HD1 PHE 2 1HD PHE 2 -5.361 -10.486 -8.874 17 HD2 PHE 2 2HD PHE 2 -3.234 -13.747 -7.155 18 HE1 PHE 2 1HE PHE 2 -6.186 -11.966 -10.658 19 HE2 PHE 2 2HE PHE 2 -4.044 -15.223 -8.935 20 HZ PHE 2 HZ PHE 2 -5.524 -14.338 -10.694 21 H ALA 3 H ALA 3 -3.691 -8.015 -6.490 22 HA ALA 3 HA ALA 3 -2.160 -7.786 -4.004 23 HB1 ALA 3 1HB ALA 3 -2.012 -5.351 -4.330 24 HB2 ALA 3 2HB ALA 3 -2.751 -5.516 -5.920 25 HB3 ALA 3 3HB ALA 3 -1.162 -6.216 -5.607 26 H VAL 4 H VAL 4 -3.589 -7.991 -2.487 27 HA VAL 4 HA VAL 4 -6.358 -7.280 -3.016 28 HB VAL 4 HB VAL 4 -5.154 -8.837 -0.705 29 HG11 VAL 4 1HG1 VAL 4 -7.249 -7.736 -0.069 30 HG12 VAL 4 2HG1 VAL 4 -7.475 -9.482 -0.182 31 HG13 VAL 4 3HG1 VAL 4 -8.054 -8.434 -1.475 32 HG21 VAL 4 3HG2 VAL 4 -6.689 -9.831 -3.103 33 HG22 VAL 4 1HG2 VAL 4 -6.128 -10.814 -1.756 34 HG23 VAL 4 2HG2 VAL 4 -4.961 -10.036 -2.828 35 H ILE 5 H ILE 5 -7.249 -5.616 -2.128 36 HA ILE 5 HA ILE 5 -5.625 -3.881 -0.435 37 HB ILE 5 HB ILE 5 -8.251 -3.295 -1.834 38 HG12 ILE 5 2HG1 ILE 5 -5.449 -2.603 -2.752 39 HG13 ILE 5 1HG1 ILE 5 -6.396 -3.930 -3.406 40 HG21 ILE 5 1HG2 ILE 5 -7.611 -0.941 -1.514 41 HG22 ILE 5 2HG2 ILE 5 -6.156 -1.454 -0.661 42 HG23 ILE 5 3HG2 ILE 5 -7.744 -1.781 0.033 43 HD11 ILE 5 3HD1 ILE 5 -7.084 -1.003 -3.550 44 HD12 ILE 5 1HD1 ILE 5 -8.068 -2.316 -4.194 45 HD13 ILE 5 2HD1 ILE 5 -6.471 -1.998 -4.870 46 H SER 6 H SER 6 -6.148 -3.520 1.658 47 HA SER 6 HA SER 6 -8.495 -4.818 2.751 48 HB2 SER 6 2HB SER 6 -6.279 -3.284 4.142 49 HB3 SER 6 1HB SER 6 -7.484 -4.311 4.914 50 HG SER 6 HG SER 6 -6.066 -5.474 2.881 51 HA PRO 7 HA PRO 7 -10.993 -1.169 2.679 52 HB2 PRO 7 2HB PRO 7 -11.812 -1.822 5.463 53 HB3 PRO 7 1HB PRO 7 -12.813 -1.559 4.028 54 HG2 PRO 7 2HG PRO 7 -12.415 -4.006 4.959 55 HG3 PRO 7 1HG PRO 7 -12.416 -3.703 3.210 56 HD2 PRO 7 2HD PRO 7 -10.106 -4.117 5.067 57 HD3 PRO 7 1HD PRO 7 -10.365 -4.747 3.424 58 H SER 8 H SER 8 -8.777 -1.525 5.377 59 HA SER 8 HA SER 8 -9.005 1.113 6.323 60 HB2 SER 8 2HB SER 8 -6.700 0.661 7.303 61 HB3 SER 8 1HB SER 8 -7.956 -0.497 7.739 62 HG SER 8 HG SER 8 -7.075 -1.992 6.583 63 H ALA 9 H ALA 9 -7.472 -0.166 3.504 64 HA ALA 9 HA ALA 9 -5.696 2.128 3.165 65 HB1 ALA 9 1HB ALA 9 -5.992 -0.391 1.533 66 HB2 ALA 9 2HB ALA 9 -4.791 -0.112 2.793 67 HB3 ALA 9 3HB ALA 9 -4.753 0.839 1.310 68 H PHE 10 H PHE 10 -8.710 2.103 2.818 69 HA PHE 10 HA PHE 10 -9.178 2.522 0.038 70 HB2 PHE 10 2HB PHE 10 -10.852 3.001 2.472 71 HB3 PHE 10 1HB PHE 10 -11.363 3.537 0.880 72 HD1 PHE 10 2HD PHE 10 -9.555 0.624 0.299 73 HD2 PHE 10 1HD PHE 10 -13.246 1.954 1.942 74 HE1 PHE 10 2HE PHE 10 -10.531 -1.557 -0.142 75 HE2 PHE 10 1HE PHE 10 -14.227 -0.248 1.494 76 HZ PHE 10 HZ PHE 10 -12.883 -2.000 0.457 77 H GLY 11 H GLY 11 -10.242 4.453 -0.756 78 HA2 GLY 11 2HA GLY 11 -10.437 6.735 -1.063 79 HA3 GLY 11 1HA GLY 11 -9.390 6.990 0.326 80 H LYS 12 H LYS 12 -7.284 5.289 -0.569 81 HA LYS 12 HA LYS 12 -6.060 7.080 -2.530 82 HB2 LYS 12 2HB LYS 12 -4.898 4.929 -0.806 83 HB3 LYS 12 1HB LYS 12 -3.986 6.155 -1.684 84 HG2 LYS 12 2HG LYS 12 -5.962 6.747 0.506 85 HG3 LYS 12 1HG LYS 12 -4.238 6.585 0.779 86 HD2 LYS 12 2HD LYS 12 -5.490 8.580 -1.129 87 HD3 LYS 12 1HD LYS 12 -5.098 8.958 0.540 88 HE2 LYS 12 2HE LYS 12 -3.109 8.045 -1.543 89 HE3 LYS 12 1HE LYS 12 -3.370 9.715 -1.056 90 HZ1 LYS 12 3HZ LYS 12 -1.484 8.766 0.089 91 HZ2 LYS 12 1HZ LYS 12 -2.422 7.542 0.756 92 HZ3 LYS 12 2HZ LYS 12 -2.687 9.144 1.180 93 H LEU 13 H LEU 13 -7.953 4.861 -3.039 94 HA LEU 13 HA LEU 13 -6.698 2.587 -4.160 95 HB2 LEU 13 2HB LEU 13 -9.397 3.755 -4.821 96 HB3 LEU 13 1HB LEU 13 -8.868 2.124 -5.175 97 HG LEU 13 HG LEU 13 -9.290 3.284 -2.420 98 HD11 LEU 13 1HD1 LEU 13 -11.379 2.886 -3.598 99 HD12 LEU 13 2HD1 LEU 13 -11.161 1.726 -2.290 100 HD13 LEU 13 3HD1 LEU 13 -10.870 1.235 -3.961 101 HD21 LEU 13 3HD2 LEU 13 -8.932 0.983 -1.642 102 HD22 LEU 13 1HD2 LEU 13 -7.494 1.652 -2.417 103 HD23 LEU 13 2HD2 LEU 13 -8.518 0.512 -3.291 104 H LYS 14 H LYS 14 -7.289 5.736 -5.396 105 HA LYS 14 HA LYS 14 -7.152 4.999 -8.177 106 HB2 LYS 14 2HB LYS 14 -6.818 7.764 -7.046 107 HB3 LYS 14 1HB LYS 14 -7.342 7.325 -8.657 108 HG2 LYS 14 2HG LYS 14 -9.383 7.789 -7.871 109 HG3 LYS 14 1HG LYS 14 -9.300 6.172 -7.206 110 HD2 LYS 14 2HD LYS 14 -10.021 7.649 -5.430 111 HD3 LYS 14 1HD LYS 14 -8.384 7.122 -5.059 112 HE2 LYS 14 2HE LYS 14 -7.686 9.326 -6.299 113 HE3 LYS 14 1HE LYS 14 -9.349 9.797 -6.000 114 HZ1 LYS 14 3HZ LYS 14 -8.908 9.380 -3.573 115 HZ2 LYS 14 1HZ LYS 14 -7.958 10.602 -4.273 116 HZ3 LYS 14 2HZ LYS 14 -7.289 9.102 -4.000 117 H GLU 15 H GLU 15 -5.244 6.530 -5.722 118 HA GLU 15 HA GLU 15 -3.023 7.265 -7.223 119 HB2 GLU 15 2HB GLU 15 -3.247 6.780 -4.273 120 HB3 GLU 15 1HB GLU 15 -1.925 7.621 -5.067 121 HG2 GLU 15 2HG GLU 15 -3.145 9.388 -4.380 122 HG3 GLU 15 1HG GLU 15 -3.860 9.148 -5.962 123 H ILE 16 H ILE 16 -3.628 4.466 -5.128 124 HA ILE 16 HA ILE 16 -1.050 3.403 -5.536 125 HB ILE 16 HB ILE 16 -1.944 1.219 -4.725 126 HG12 ILE 16 2HG1 ILE 16 -4.519 2.747 -4.355 127 HG13 ILE 16 1HG1 ILE 16 -4.290 1.495 -5.568 128 HG21 ILE 16 1HG2 ILE 16 -2.559 3.633 -3.050 129 HG22 ILE 16 2HG2 ILE 16 -1.001 2.822 -3.203 130 HG23 ILE 16 3HG2 ILE 16 -2.356 1.988 -2.439 131 HD11 ILE 16 3HD1 ILE 16 -3.940 -0.147 -3.784 132 HD12 ILE 16 1HD1 ILE 16 -5.495 0.664 -3.594 133 HD13 ILE 16 2HD1 ILE 16 -4.119 1.119 -2.576 134 H LEU 17 H LEU 17 -4.027 3.055 -7.347 135 HA LEU 17 HA LEU 17 -3.142 0.954 -9.020 136 HB2 LEU 17 2HB LEU 17 -5.611 1.943 -8.983 137 HB3 LEU 17 1HB LEU 17 -4.896 3.204 -9.929 138 HG LEU 17 HG LEU 17 -4.033 1.343 -11.445 139 HD11 LEU 17 1HD1 LEU 17 -4.612 -0.543 -10.098 140 HD12 LEU 17 2HD1 LEU 17 -5.510 -0.582 -11.613 141 HD13 LEU 17 3HD1 LEU 17 -6.311 -0.086 -10.125 142 HD21 LEU 17 3HD2 LEU 17 -6.070 1.476 -12.757 143 HD22 LEU 17 1HD2 LEU 17 -5.590 3.047 -12.106 144 HD23 LEU 17 2HD2 LEU 17 -6.899 2.142 -11.341 145 H GLY 18 H GLY 18 -3.183 4.480 -9.459 146 HA2 GLY 18 2HA GLY 18 -2.021 4.357 -12.048 147 HA3 GLY 18 1HA GLY 18 -2.322 5.806 -11.117 148 H SER 19 H SER 19 -0.621 4.917 -8.886 149 HA SER 19 HA SER 19 1.818 5.954 -10.032 150 HB2 SER 19 2HB SER 19 1.330 5.105 -7.187 151 HB3 SER 19 1HB SER 19 2.574 6.212 -7.775 152 HG SER 19 HG SER 19 -0.158 6.572 -7.416 153 H ASN 20 H ASN 20 0.831 2.972 -8.354 154 HA ASN 20 HA ASN 20 3.499 1.901 -8.771 155 HB2 ASN 20 2HB ASN 20 2.428 1.551 -6.587 156 HB3 ASN 20 1HB ASN 20 1.126 0.664 -7.380 157 HD21 ASN 20 1HD2 ASN 20 1.527 -1.257 -6.379 158 HD22 ASN 20 2HD2 ASN 20 2.949 -2.190 -6.682 159 H LYS 21 H LYS 21 0.137 0.831 -9.344 160 HA LYS 21 HA LYS 21 -0.820 -0.490 -10.909 161 HB2 LYS 21 2HB LYS 21 0.365 1.431 -12.251 162 HB3 LYS 21 1HB LYS 21 1.531 0.200 -12.684 163 HG2 LYS 21 2HG LYS 21 -0.161 -1.042 -13.859 164 HG3 LYS 21 1HG LYS 21 -1.412 0.087 -13.311 165 HD2 LYS 21 2HD LYS 21 -0.205 1.901 -14.477 166 HD3 LYS 21 1HD LYS 21 0.944 0.709 -15.086 167 HE2 LYS 21 2HE LYS 21 -0.905 -0.458 -16.213 168 HE3 LYS 21 1HE LYS 21 -2.019 0.778 -15.623 169 HZ1 LYS 21 3HZ LYS 21 -0.803 2.436 -16.877 170 HZ2 LYS 21 1HZ LYS 21 -1.326 1.200 -17.898 171 HZ3 LYS 21 2HZ LYS 21 0.279 1.261 -17.416 172 H ASN 22 H ASN 22 0.266 -2.306 -12.782 173 HA ASN 22 HA ASN 22 1.563 -4.075 -13.238 174 HB2 ASN 22 2HB ASN 22 3.333 -3.044 -11.031 175 HB3 ASN 22 1HB ASN 22 3.717 -4.466 -11.995 176 HD21 ASN 22 1HD2 ASN 22 3.465 -0.965 -11.969 177 HD22 ASN 22 2HD2 ASN 22 4.187 -0.732 -13.509 178 H TYR 23 H TYR 23 -0.198 -3.853 -10.536 179 HA TYR 23 HA TYR 23 0.069 -6.755 -10.068 180 HB2 TYR 23 2HB TYR 23 -0.730 -4.584 -8.121 181 HB3 TYR 23 1HB TYR 23 -1.054 -6.281 -7.852 182 HD1 TYR 23 1HD TYR 23 1.079 -7.830 -7.931 183 HD2 TYR 23 2HD TYR 23 1.150 -3.647 -7.218 184 HE1 TYR 23 1HE TYR 23 3.224 -8.081 -6.754 185 HE2 TYR 23 2HE TYR 23 3.309 -3.884 -6.042 186 HH TYR 23 HH TYR 23 5.192 -6.677 -6.165 187 H LYS 24 H LYS 24 -1.923 -7.870 -9.866 188 HA LYS 24 HA LYS 24 -4.131 -6.402 -11.015 189 HB2 LYS 24 2HB LYS 24 -3.685 -8.763 -11.740 190 HB3 LYS 24 1HB LYS 24 -4.051 -9.301 -10.108 191 HG2 LYS 24 2HG LYS 24 -5.980 -9.664 -11.512 192 HG3 LYS 24 1HG LYS 24 -6.345 -8.374 -10.363 193 HD2 LYS 24 2HD LYS 24 -5.810 -6.706 -12.138 194 HD3 LYS 24 1HD LYS 24 -5.558 -8.041 -13.262 195 HE2 LYS 24 2HE LYS 24 -7.900 -8.739 -12.884 196 HE3 LYS 24 1HE LYS 24 -8.116 -7.327 -11.853 197 HZ1 LYS 24 3HZ LYS 24 -7.416 -7.277 -14.743 198 HZ2 LYS 24 1HZ LYS 24 -7.547 -5.922 -13.766 199 HZ3 LYS 24 2HZ LYS 24 -8.905 -6.849 -14.104 200 H PHE 25 H PHE 25 -5.088 -5.113 -9.657 201 HA PHE 25 HA PHE 25 -5.015 -5.544 -6.850 202 HB2 PHE 25 2HB PHE 25 -6.387 -3.453 -8.522 203 HB3 PHE 25 1HB PHE 25 -6.371 -3.429 -6.759 204 HD1 PHE 25 2HD PHE 25 -4.384 -2.997 -9.811 205 HD2 PHE 25 1HD PHE 25 -4.355 -2.807 -5.564 206 HE1 PHE 25 2HE PHE 25 -2.248 -1.784 -9.887 207 HE2 PHE 25 1HE PHE 25 -2.216 -1.588 -5.633 208 HZ PHE 25 HZ PHE 25 -1.160 -1.075 -7.797 209 H VAL 26 H VAL 26 -6.465 -6.302 -5.566 210 HA VAL 26 HA VAL 26 -9.056 -7.183 -6.619 211 HB VAL 26 HB VAL 26 -7.205 -8.706 -4.760 212 HG11 VAL 26 1HG1 VAL 26 -9.522 -9.136 -4.235 213 HG12 VAL 26 2HG1 VAL 26 -8.803 -10.557 -4.998 214 HG13 VAL 26 3HG1 VAL 26 -9.859 -9.489 -5.929 215 HG21 VAL 26 3HG2 VAL 26 -6.355 -8.772 -7.031 216 HG22 VAL 26 1HG2 VAL 26 -7.932 -9.290 -7.626 217 HG23 VAL 26 2HG2 VAL 26 -6.994 -10.351 -6.575 218 H ILE 27 H ILE 27 -10.716 -6.817 -5.252 219 HA ILE 27 HA ILE 27 -10.102 -5.952 -2.533 220 HB ILE 27 HB ILE 27 -10.768 -3.999 -3.903 221 HG12 ILE 27 2HG1 ILE 27 -12.644 -3.164 -2.528 222 HG13 ILE 27 1HG1 ILE 27 -12.935 -4.801 -1.951 223 HG21 ILE 27 1HG2 ILE 27 -13.330 -5.479 -4.398 224 HG22 ILE 27 2HG2 ILE 27 -12.083 -5.121 -5.593 225 HG23 ILE 27 3HG2 ILE 27 -13.009 -3.806 -4.857 226 HD11 ILE 27 3HD1 ILE 27 -10.749 -4.831 -0.898 227 HD12 ILE 27 1HD1 ILE 27 -11.710 -3.474 -0.325 228 HD13 ILE 27 2HD1 ILE 27 -10.426 -3.208 -1.506 229 H THR 28 H THR 28 -11.746 -6.576 -0.966 230 HA THR 28 HA THR 28 -12.923 -9.097 -1.671 231 HB THR 28 HB THR 28 -13.516 -9.144 0.773 232 HG1 THR 28 1HG THR 28 -11.965 -7.362 1.773 233 HG21 THR 28 3HG2 THR 28 -10.616 -8.596 0.114 234 HG22 THR 28 1HG2 THR 28 -11.437 -10.145 -0.090 235 HG23 THR 28 2HG2 THR 28 -11.216 -9.473 1.524 236 H THR 29 H THR 29 -15.164 -9.622 -1.058 237 HA THR 29 HA THR 29 -17.088 -7.943 -2.093 238 HB THR 29 HB THR 29 -17.682 -10.018 -0.017 239 HG1 THR 29 1HG THR 29 -16.999 -10.704 -2.683 240 HG21 THR 29 3HG2 THR 29 -18.787 -9.387 -2.760 241 HG22 THR 29 1HG2 THR 29 -19.511 -8.894 -1.227 242 HG23 THR 29 2HG2 THR 29 -19.415 -10.611 -1.651 243 H LEU 30 H LEU 30 -15.923 -8.393 1.227 244 HA LEU 30 HA LEU 30 -17.926 -6.743 2.419 245 HB2 LEU 30 2HB LEU 30 -15.223 -7.587 3.481 246 HB3 LEU 30 1HB LEU 30 -16.472 -6.793 4.414 247 HG LEU 30 HG LEU 30 -16.654 -9.562 3.223 248 HD11 LEU 30 1HD1 LEU 30 -16.631 -10.302 5.548 249 HD12 LEU 30 2HD1 LEU 30 -16.397 -8.637 6.079 250 HD13 LEU 30 3HD1 LEU 30 -15.152 -9.445 5.124 251 HD21 LEU 30 3HD2 LEU 30 -18.614 -8.045 4.951 252 HD22 LEU 30 1HD2 LEU 30 -18.755 -9.736 4.468 253 HD23 LEU 30 2HD2 LEU 30 -18.836 -8.465 3.252 254 H GLY 31 H GLY 31 -14.751 -6.276 1.042 255 HA2 GLY 31 2HA GLY 31 -14.204 -3.696 1.982 256 HA3 GLY 31 1HA GLY 31 -13.563 -4.430 0.512 257 H VAL 32 H VAL 32 -15.701 -4.761 -1.071 258 HA VAL 32 HA VAL 32 -16.132 -2.146 -1.984 259 HB VAL 32 HB VAL 32 -17.765 -3.033 -3.614 260 HG11 VAL 32 1HG1 VAL 32 -15.281 -4.695 -3.343 261 HG12 VAL 32 2HG1 VAL 32 -15.423 -3.130 -4.147 262 HG13 VAL 32 3HG1 VAL 32 -16.262 -4.536 -4.800 263 HG21 VAL 32 3HG2 VAL 32 -17.363 -5.689 -2.232 264 HG22 VAL 32 1HG2 VAL 32 -18.228 -5.443 -3.749 265 HG23 VAL 32 2HG2 VAL 32 -18.851 -4.749 -2.251 266 H SER 33 H SER 33 -18.167 -4.209 -0.016 267 HA SER 33 HA SER 33 -20.441 -2.576 -0.076 268 HB2 SER 33 2HB SER 33 -19.524 -4.502 2.067 269 HB3 SER 33 1HB SER 33 -21.173 -3.915 1.832 270 HG SER 33 HG SER 33 -19.753 -5.833 0.422 271 H PHE 34 H PHE 34 -17.597 -2.615 2.013 272 HA PHE 34 HA PHE 34 -18.458 -0.686 3.883 273 HB2 PHE 34 2HB PHE 34 -16.547 -2.224 4.259 274 HB3 PHE 34 1HB PHE 34 -15.647 -1.406 2.995 275 HD1 PHE 34 1HD PHE 34 -17.135 -0.969 6.348 276 HD2 PHE 34 2HD PHE 34 -14.388 0.535 3.472 277 HE1 PHE 34 1HE PHE 34 -16.203 0.564 8.037 278 HE2 PHE 34 2HE PHE 34 -13.460 2.065 5.144 279 HZ PHE 34 HZ PHE 34 -14.367 2.081 7.436 280 H ALA 35 H ALA 35 -16.678 -0.499 0.862 281 HA ALA 35 HA ALA 35 -16.209 2.278 0.935 282 HB1 ALA 35 1HB ALA 35 -15.668 2.079 -1.427 283 HB2 ALA 35 2HB ALA 35 -16.385 0.466 -1.465 284 HB3 ALA 35 3HB ALA 35 -14.938 0.767 -0.503 285 H ILE 36 H ILE 36 -18.812 0.344 -0.429 286 HA ILE 36 HA ILE 36 -20.244 2.420 -1.677 287 HB ILE 36 HB ILE 36 -21.290 -0.160 -0.469 288 HG12 ILE 36 2HG1 ILE 36 -19.754 -0.518 -2.335 289 HG13 ILE 36 1HG1 ILE 36 -21.387 -0.972 -2.790 290 HG21 ILE 36 1HG2 ILE 36 -23.129 1.410 -0.578 291 HG22 ILE 36 2HG2 ILE 36 -23.335 0.156 -1.798 292 HG23 ILE 36 3HG2 ILE 36 -22.765 1.759 -2.269 293 HD11 ILE 36 3HD1 ILE 36 -20.297 0.173 -4.605 294 HD12 ILE 36 1HD1 ILE 36 -19.944 1.556 -3.568 295 HD13 ILE 36 2HD1 ILE 36 -21.612 1.171 -3.980 296 H LYS 37 H LYS 37 -20.620 1.096 1.617 297 HA LYS 37 HA LYS 37 -22.712 2.868 2.251 298 HB2 LYS 37 2HB LYS 37 -22.387 2.244 4.627 299 HB3 LYS 37 1HB LYS 37 -22.509 0.866 3.548 300 HG2 LYS 37 2HG LYS 37 -20.131 0.511 3.664 301 HG3 LYS 37 1HG LYS 37 -19.921 1.972 4.621 302 HD2 LYS 37 2HD LYS 37 -19.843 -0.034 6.028 303 HD3 LYS 37 1HD LYS 37 -21.222 0.985 6.435 304 HE2 LYS 37 2HE LYS 37 -22.688 -0.481 5.153 305 HE3 LYS 37 1HE LYS 37 -21.314 -1.487 4.697 306 HZ1 LYS 37 3HZ LYS 37 -21.017 -2.068 7.005 307 HZ2 LYS 37 1HZ LYS 37 -22.588 -2.408 6.545 308 HZ3 LYS 37 2HZ LYS 37 -22.278 -1.054 7.482 309 H SER 38 H SER 38 -19.248 3.217 2.603 310 HA SER 38 HA SER 38 -19.513 5.648 4.100 311 HB2 SER 38 2HB SER 38 -17.575 4.181 4.421 312 HB3 SER 38 1HB SER 38 -17.110 4.407 2.739 313 HG SER 38 HG SER 38 -16.337 5.777 4.744 314 H GLY 39 H GLY 39 -19.299 4.771 0.739 315 HA2 GLY 39 2HA GLY 39 -19.817 6.140 -1.073 316 HA3 GLY 39 1HA GLY 39 -19.710 7.546 -0.021 317 H ILE 40 H ILE 40 -17.392 4.989 -0.512 318 HA ILE 40 HA ILE 40 -15.327 6.967 -1.163 319 HB ILE 40 HB ILE 40 -15.112 4.007 -0.458 320 HG12 ILE 40 2HG1 ILE 40 -14.426 6.428 1.210 321 HG13 ILE 40 1HG1 ILE 40 -15.902 5.487 1.384 322 HG21 ILE 40 1HG2 ILE 40 -13.245 4.759 -1.866 323 HG22 ILE 40 2HG2 ILE 40 -12.712 4.404 -0.227 324 HG23 ILE 40 3HG2 ILE 40 -12.923 6.079 -0.737 325 HD11 ILE 40 3HD1 ILE 40 -13.097 4.475 1.818 326 HD12 ILE 40 1HD1 ILE 40 -14.583 3.546 2.020 327 HD13 ILE 40 2HD1 ILE 40 -14.253 4.916 3.080 328 H ASP 41 H ASP 41 -14.087 6.728 -3.092 329 HA ASP 41 HA ASP 41 -15.554 5.748 -5.294 330 HB2 ASP 41 2HB ASP 41 -14.046 7.629 -5.628 331 HB3 ASP 41 1HB ASP 41 -12.658 6.615 -5.226 332 H ILE 42 H ILE 42 -15.964 3.714 -5.003 333 HA ILE 42 HA ILE 42 -13.718 1.854 -5.312 334 HB ILE 42 HB ILE 42 -15.179 1.404 -3.371 335 HG12 ILE 42 2HG1 ILE 42 -15.753 -0.987 -3.867 336 HG13 ILE 42 1HG1 ILE 42 -15.356 -0.677 -5.552 337 HG21 ILE 42 1HG2 ILE 42 -17.401 1.040 -5.364 338 HG22 ILE 42 2HG2 ILE 42 -17.274 2.301 -4.139 339 HG23 ILE 42 3HG2 ILE 42 -17.492 0.619 -3.654 340 HD11 ILE 42 3HD1 ILE 42 -13.059 -0.138 -4.910 341 HD12 ILE 42 1HD1 ILE 42 -13.519 -1.758 -4.383 342 HD13 ILE 42 2HD1 ILE 42 -13.471 -0.433 -3.220 343 H ASP 43 H ASP 43 -16.547 3.177 -6.715 344 HA ASP 43 HA ASP 43 -17.159 1.199 -8.619 345 HB2 ASP 43 2HB ASP 43 -18.743 2.960 -7.992 346 HB3 ASP 43 1HB ASP 43 -17.698 4.166 -8.733 347 H SER 44 H SER 44 -15.225 4.191 -8.902 348 HA SER 44 HA SER 44 -14.587 3.632 -11.604 349 HB2 SER 44 2HB SER 44 -13.013 5.432 -9.770 350 HB3 SER 44 1HB SER 44 -13.247 5.574 -11.517 351 HG SER 44 HG SER 44 -14.828 6.238 -9.401 352 H ALA 45 H ALA 45 -13.254 2.769 -8.504 353 HA ALA 45 HA ALA 45 -10.698 1.954 -9.399 354 HB1 ALA 45 1HB ALA 45 -11.204 2.266 -7.007 355 HB2 ALA 45 2HB ALA 45 -10.561 0.655 -7.326 356 HB3 ALA 45 3HB ALA 45 -12.291 0.876 -7.062 357 H LEU 46 H LEU 46 -13.757 0.223 -8.987 358 HA LEU 46 HA LEU 46 -12.940 -2.276 -9.940 359 HB2 LEU 46 2HB LEU 46 -15.635 -0.955 -10.275 360 HB3 LEU 46 1HB LEU 46 -15.314 -2.667 -10.432 361 HG LEU 46 HG LEU 46 -15.135 -1.030 -7.907 362 HD11 LEU 46 1HD1 LEU 46 -17.392 -1.429 -8.595 363 HD12 LEU 46 2HD1 LEU 46 -17.013 -2.390 -7.166 364 HD13 LEU 46 3HD1 LEU 46 -17.078 -3.157 -8.756 365 HD21 LEU 46 3HD2 LEU 46 -14.642 -3.977 -8.326 366 HD22 LEU 46 1HD2 LEU 46 -14.752 -3.169 -6.762 367 HD23 LEU 46 2HD2 LEU 46 -13.444 -2.764 -7.870 368 H ASP 47 H ASP 47 -14.262 0.521 -11.624 369 HA ASP 47 HA ASP 47 -14.211 -0.496 -14.241 370 HB2 ASP 47 2HB ASP 47 -15.408 1.554 -13.773 371 HB3 ASP 47 1HB ASP 47 -13.919 2.355 -13.281 372 H ARG 48 H ARG 48 -11.672 1.088 -12.377 373 HA ARG 48 HA ARG 48 -9.824 1.315 -14.459 374 HB2 ARG 48 2HB ARG 48 -9.405 1.191 -11.491 375 HB3 ARG 48 1HB ARG 48 -8.153 1.517 -12.689 376 HG2 ARG 48 2HG ARG 48 -9.305 3.519 -13.405 377 HG3 ARG 48 1HG ARG 48 -10.626 3.180 -12.286 378 HD2 ARG 48 2HD ARG 48 -8.791 3.269 -10.438 379 HD3 ARG 48 1HD ARG 48 -7.802 3.904 -11.699 380 HE ARG 48 HE ARG 48 -9.048 5.805 -11.974 381 HH11 ARG 48 1HH1 ARG 48 -10.228 4.019 -9.110 382 HH12 ARG 48 2HH1 ARG 48 -11.146 5.343 -8.521 383 HH21 ARG 48 1HH2 ARG 48 -10.252 7.561 -11.101 384 HH22 ARG 48 2HH2 ARG 48 -11.134 7.391 -9.656 385 H GLY 49 H GLY 49 -10.808 -1.421 -12.636 386 HA2 GLY 49 2HA GLY 49 -10.133 -3.518 -13.822 387 HA3 GLY 49 1HA GLY 49 -8.492 -2.908 -13.694 388 H VAL 50 H VAL 50 -10.062 -2.084 -10.866 389 HA VAL 50 HA VAL 50 -8.787 -4.189 -9.389 390 HB VAL 50 HB VAL 50 -10.778 -2.082 -8.433 391 HG11 VAL 50 1HG1 VAL 50 -8.886 -3.811 -6.842 392 HG12 VAL 50 2HG1 VAL 50 -10.639 -3.969 -6.904 393 HG13 VAL 50 3HG1 VAL 50 -9.909 -2.531 -6.188 394 HG21 VAL 50 3HG2 VAL 50 -8.771 -1.040 -9.355 395 HG22 VAL 50 1HG2 VAL 50 -7.756 -2.043 -8.323 396 HG23 VAL 50 2HG2 VAL 50 -8.824 -0.843 -7.604 397 H ILE 51 H ILE 51 -9.672 -6.122 -9.027 398 HA ILE 51 HA ILE 51 -12.492 -6.455 -9.767 399 HB ILE 51 HB ILE 51 -12.028 -8.884 -9.932 400 HG12 ILE 51 2HG1 ILE 51 -9.128 -8.097 -9.493 401 HG13 ILE 51 1HG1 ILE 51 -10.128 -8.973 -8.340 402 HG21 ILE 51 1HG2 ILE 51 -10.688 -8.769 -12.002 403 HG22 ILE 51 2HG2 ILE 51 -10.256 -7.110 -11.606 404 HG23 ILE 51 3HG2 ILE 51 -11.940 -7.529 -11.926 405 HD11 ILE 51 3HD1 ILE 51 -8.620 -10.463 -9.536 406 HD12 ILE 51 1HD1 ILE 51 -9.313 -9.942 -11.072 407 HD13 ILE 51 2HD1 ILE 51 -10.303 -10.833 -9.916 408 H VAL 52 H VAL 52 -13.917 -7.683 -8.533 409 HA VAL 52 HA VAL 52 -13.387 -7.528 -5.669 410 HB VAL 52 HB VAL 52 -15.958 -8.362 -7.039 411 HG11 VAL 52 1HG1 VAL 52 -15.817 -8.957 -4.689 412 HG12 VAL 52 2HG1 VAL 52 -17.035 -7.710 -4.936 413 HG13 VAL 52 3HG1 VAL 52 -15.461 -7.283 -4.268 414 HG21 VAL 52 3HG2 VAL 52 -16.761 -6.043 -6.719 415 HG22 VAL 52 1HG2 VAL 52 -15.416 -6.150 -7.857 416 HG23 VAL 52 2HG2 VAL 52 -15.130 -5.584 -6.218 417 H ARG 53 H ARG 53 -13.126 -9.348 -4.461 418 HA ARG 53 HA ARG 53 -13.688 -11.906 -5.778 419 HB2 ARG 53 2HB ARG 53 -11.172 -11.093 -5.582 420 HB3 ARG 53 1HB ARG 53 -11.357 -11.690 -3.939 421 HG2 ARG 53 2HG ARG 53 -10.514 -13.526 -5.027 422 HG3 ARG 53 1HG ARG 53 -12.250 -13.834 -5.096 423 HD2 ARG 53 2HD ARG 53 -10.491 -12.732 -7.294 424 HD3 ARG 53 1HD ARG 53 -11.294 -14.292 -7.273 425 HE ARG 53 HE ARG 53 -12.869 -11.798 -7.303 426 HH11 ARG 53 1HH1 ARG 53 -12.079 -14.878 -8.817 427 HH12 ARG 53 2HH1 ARG 53 -13.196 -14.697 -10.090 428 HH21 ARG 53 1HH2 ARG 53 -14.377 -11.525 -8.988 429 HH22 ARG 53 2HH2 ARG 53 -14.552 -12.715 -10.194 430 H ALA 54 H ALA 54 -14.686 -13.325 -4.530 431 HA ALA 54 HA ALA 54 -15.168 -12.610 -1.737 432 HB1 ALA 54 1HB ALA 54 -17.202 -12.893 -3.070 433 HB2 ALA 54 2HB ALA 54 -17.050 -14.222 -1.924 434 HB3 ALA 54 3HB ALA 54 -16.642 -14.471 -3.620 435 H PHE 55 H PHE 55 -14.598 -14.118 -0.187 436 HA PHE 55 HA PHE 55 -12.698 -16.099 -0.979 437 HB2 PHE 55 2HB PHE 55 -13.008 -14.855 1.357 438 HB3 PHE 55 1HB PHE 55 -14.118 -16.182 1.678 439 HD1 PHE 55 2HD PHE 55 -13.171 -18.582 1.407 440 HD2 PHE 55 1HD PHE 55 -10.751 -15.111 1.729 441 HE1 PHE 55 2HE PHE 55 -11.257 -19.981 2.074 442 HE2 PHE 55 1HE PHE 55 -8.851 -16.481 2.392 443 HZ PHE 55 HZ PHE 55 -9.089 -18.932 2.569 444 H SER 56 H SER 56 -13.206 -18.064 -1.728 445 HA SER 56 HA SER 56 -15.863 -18.685 -2.380 446 HB2 SER 56 2HB SER 56 -13.881 -19.372 -3.726 447 HB3 SER 56 1HB SER 56 -13.436 -20.500 -2.450 448 HG SER 56 HG SER 56 -14.508 -21.557 -4.030 449 H HIS 57 H HIS 57 -13.731 -19.824 0.125 450 HA HIS 57 HA HIS 57 -15.888 -21.507 1.238 451 HB2 HIS 57 2HB HIS 57 -12.970 -21.324 2.099 452 HB3 HIS 57 1HB HIS 57 -14.146 -22.469 2.710 453 HD1 HIS 57 1HD HIS 57 -14.516 -24.627 1.304 454 HD2 HIS 57 2HD HIS 57 -11.954 -21.883 -0.482 455 HE1 HIS 57 1HE HIS 57 -13.410 -25.849 -0.580 456 HE2 HIS 57 2HE HIS 57 -11.801 -24.215 -1.576 457 H LYS 58 H LYS 58 -15.724 -21.321 3.853 458 HA LYS 58 HA LYS 58 -15.424 -18.491 4.401 459 HB2 LYS 58 2HB LYS 58 -16.922 -18.746 6.348 460 HB3 LYS 58 1HB LYS 58 -17.708 -19.169 4.841 461 HG2 LYS 58 2HG LYS 58 -17.512 -21.508 5.365 462 HG3 LYS 58 1HG LYS 58 -16.607 -21.134 6.834 463 HD2 LYS 58 2HD LYS 58 -18.567 -19.846 7.631 464 HD3 LYS 58 1HD LYS 58 -19.451 -20.388 6.202 465 HE2 LYS 58 2HE LYS 58 -20.033 -21.820 8.010 466 HE3 LYS 58 1HE LYS 58 -18.988 -22.677 6.859 467 HZ1 LYS 58 3HZ LYS 58 -18.391 -23.100 9.212 468 HZ2 LYS 58 1HZ LYS 58 -18.026 -21.473 9.400 469 HZ3 LYS 58 2HZ LYS 58 -17.124 -22.443 8.345 470 HA PRO 59 HA PRO 59 -11.887 -20.094 6.605 471 HB2 PRO 59 2HB PRO 59 -10.442 -17.859 6.582 472 HB3 PRO 59 1HB PRO 59 -10.723 -18.755 5.081 473 HG2 PRO 59 2HG PRO 59 -12.102 -16.296 6.099 474 HG3 PRO 59 1HG PRO 59 -11.505 -16.643 4.466 475 HD2 PRO 59 2HD PRO 59 -14.122 -16.948 5.248 476 HD3 PRO 59 1HD PRO 59 -13.372 -17.846 3.913 477 HA PRO 60 HA PRO 60 -12.749 -18.716 10.764 478 HB2 PRO 60 2HB PRO 60 -10.185 -18.778 11.818 479 HB3 PRO 60 1HB PRO 60 -11.227 -20.197 11.670 480 HG2 PRO 60 2HG PRO 60 -9.031 -19.262 9.878 481 HG3 PRO 60 1HG PRO 60 -9.425 -20.913 10.397 482 HD2 PRO 60 2HD PRO 60 -10.091 -20.010 7.964 483 HD3 PRO 60 1HD PRO 60 -11.163 -21.104 8.866 484 H LYS 61 H LYS 61 -12.972 -16.704 11.511 485 HA LYS 61 HA LYS 61 -11.617 -14.580 10.105 486 HB2 LYS 61 2HB LYS 61 -13.594 -14.316 12.381 487 HB3 LYS 61 1HB LYS 61 -13.133 -13.070 11.229 488 HG2 LYS 61 2HG LYS 61 -14.693 -15.580 10.634 489 HG3 LYS 61 1HG LYS 61 -15.318 -13.935 10.674 490 HD2 LYS 61 2HD LYS 61 -13.968 -13.341 8.736 491 HD3 LYS 61 1HD LYS 61 -13.202 -14.929 8.759 492 HE2 LYS 61 2HE LYS 61 -15.392 -15.972 8.363 493 HE3 LYS 61 1HE LYS 61 -16.118 -14.372 8.282 494 HZ1 LYS 61 3HZ LYS 61 -15.590 -15.380 6.099 495 HZ2 LYS 61 1HZ LYS 61 -13.957 -15.265 6.436 496 HZ3 LYS 61 2HZ LYS 61 -14.877 -13.892 6.283 497 H VAL 62 H VAL 62 -10.324 -12.991 11.058 498 HA VAL 62 HA VAL 62 -8.658 -14.019 13.139 499 HB VAL 62 HB VAL 62 -8.597 -11.196 12.028 500 HG11 VAL 62 1HG1 VAL 62 -6.270 -11.239 12.641 501 HG12 VAL 62 2HG1 VAL 62 -6.447 -12.878 13.268 502 HG13 VAL 62 3HG1 VAL 62 -7.314 -11.542 14.031 503 HG21 VAL 62 3HG2 VAL 62 -8.481 -12.791 10.135 504 HG22 VAL 62 1HG2 VAL 62 -7.147 -13.620 10.932 505 HG23 VAL 62 2HG2 VAL 62 -6.945 -11.956 10.373 506 H GLY 63 H GLY 63 -8.875 -13.603 15.228 507 HA2 GLY 63 2HA GLY 63 -11.018 -11.951 16.153 508 HA3 GLY 63 1HA GLY 63 -9.833 -12.809 17.146 509 H ASN 64 H ASN 64 -10.584 -10.184 17.657 510 HA ASN 64 HA ASN 64 -9.644 -8.257 18.339 511 HB2 ASN 64 2HB ASN 64 -7.550 -9.544 18.804 512 HB3 ASN 64 1HB ASN 64 -7.032 -9.248 17.153 513 HD21 ASN 64 1HD2 ASN 64 -5.211 -8.151 17.691 514 HD22 ASN 64 2HD2 ASN 64 -5.210 -6.610 18.444 515 H LEU 65 H LEU 65 -8.865 -9.154 14.985 516 HA LEU 65 HA LEU 65 -8.884 -6.342 14.251 517 HB2 LEU 65 2HB LEU 65 -8.425 -8.842 12.634 518 HB3 LEU 65 1HB LEU 65 -8.404 -7.226 11.963 519 HG LEU 65 HG LEU 65 -6.485 -8.323 14.014 520 HD11 LEU 65 1HD1 LEU 65 -6.159 -9.253 11.791 521 HD12 LEU 65 2HD1 LEU 65 -4.850 -8.147 12.207 522 HD13 LEU 65 3HD1 LEU 65 -6.131 -7.631 11.106 523 HD21 LEU 65 3HD2 LEU 65 -6.572 -5.644 12.634 524 HD22 LEU 65 1HD2 LEU 65 -5.254 -6.225 13.650 525 HD23 LEU 65 2HD2 LEU 65 -6.844 -5.940 14.354 526 HA PRO 66 HA PRO 66 -13.112 -6.374 12.778 527 HB2 PRO 66 2HB PRO 66 -12.212 -4.887 10.384 528 HB3 PRO 66 1HB PRO 66 -13.361 -4.393 11.627 529 HG2 PRO 66 2HG PRO 66 -10.941 -3.276 11.476 530 HG3 PRO 66 1HG PRO 66 -11.701 -3.612 13.042 531 HD2 PRO 66 2HD PRO 66 -9.572 -5.150 11.606 532 HD3 PRO 66 1HD PRO 66 -9.695 -4.736 13.329 533 H GLN 67 H GLN 67 -14.345 -7.539 11.318 534 HA GLN 67 HA GLN 67 -13.064 -9.707 10.118 535 HB2 GLN 67 2HB GLN 67 -15.302 -9.925 10.990 536 HB3 GLN 67 1HB GLN 67 -15.914 -8.767 9.820 537 HG2 GLN 67 2HG GLN 67 -15.342 -10.306 8.013 538 HG3 GLN 67 1HG GLN 67 -14.743 -11.459 9.204 539 HE21 GLN 67 1HE2 GLN 67 -17.540 -9.896 7.908 540 HE22 GLN 67 2HE2 GLN 67 -18.687 -11.006 8.546 541 H TYR 68 H TYR 68 -14.351 -6.735 8.673 542 HA TYR 68 HA TYR 68 -13.935 -7.676 6.061 543 HB2 TYR 68 2HB TYR 68 -13.993 -5.182 5.352 544 HB3 TYR 68 1HB TYR 68 -15.421 -5.903 6.039 545 HD1 TYR 68 2HD TYR 68 -12.394 -4.115 7.396 546 HD2 TYR 68 1HD TYR 68 -16.624 -4.532 7.383 547 HE1 TYR 68 2HE TYR 68 -12.582 -2.288 9.040 548 HE2 TYR 68 1HE TYR 68 -16.817 -2.715 9.019 549 HH TYR 68 HH TYR 68 -14.163 -0.708 9.901 550 H GLU 69 H GLU 69 -11.689 -6.150 8.233 551 HA GLU 69 HA GLU 69 -9.620 -5.855 6.259 552 HB2 GLU 69 2HB GLU 69 -9.335 -6.168 9.260 553 HB3 GLU 69 1HB GLU 69 -8.103 -5.590 8.161 554 HG2 GLU 69 2HG GLU 69 -10.673 -4.185 8.864 555 HG3 GLU 69 1HG GLU 69 -9.067 -3.786 9.452 556 H SER 70 H SER 70 -10.601 -8.236 8.616 557 HA SER 70 HA SER 70 -8.491 -10.052 8.415 558 HB2 SER 70 2HB SER 70 -11.389 -10.581 9.058 559 HB3 SER 70 1HB SER 70 -10.046 -11.658 9.426 560 HG SER 70 HG SER 70 -10.532 -9.062 10.479 561 H GLU 71 H GLU 71 -11.512 -9.805 6.585 562 HA GLU 71 HA GLU 71 -11.305 -12.208 5.105 563 HB2 GLU 71 2HB GLU 71 -13.224 -10.398 5.413 564 HB3 GLU 71 1HB GLU 71 -12.526 -9.755 3.933 565 HG2 GLU 71 2HG GLU 71 -14.294 -11.168 3.302 566 HG3 GLU 71 1HG GLU 71 -12.802 -12.051 2.946 567 H ALA 72 H ALA 72 -10.132 -8.921 4.588 568 HA ALA 72 HA ALA 72 -9.125 -9.311 1.981 569 HB1 ALA 72 1HB ALA 72 -7.805 -7.288 2.384 570 HB2 ALA 72 2HB ALA 72 -8.168 -7.391 4.107 571 HB3 ALA 72 3HB ALA 72 -9.461 -7.078 2.952 572 H ILE 73 H ILE 73 -7.635 -9.571 5.165 573 HA ILE 73 HA ILE 73 -5.070 -10.386 4.393 574 HB ILE 73 HB ILE 73 -6.635 -11.255 6.846 575 HG12 ILE 73 2HG1 ILE 73 -4.630 -9.008 6.505 576 HG13 ILE 73 1HG1 ILE 73 -6.370 -8.813 6.676 577 HG21 ILE 73 1HG2 ILE 73 -3.663 -11.397 6.331 578 HG22 ILE 73 2HG2 ILE 73 -4.769 -12.762 6.464 579 HG23 ILE 73 3HG2 ILE 73 -4.451 -11.746 7.869 580 HD11 ILE 73 3HD1 ILE 73 -5.185 -8.344 8.762 581 HD12 ILE 73 1HD1 ILE 73 -4.518 -9.973 8.745 582 HD13 ILE 73 2HD1 ILE 73 -6.255 -9.736 8.932 583 H MET 74 H MET 74 -7.963 -12.295 5.053 584 HA MET 74 HA MET 74 -6.815 -14.829 4.666 585 HB2 MET 74 2HB MET 74 -9.686 -13.955 4.404 586 HB3 MET 74 1HB MET 74 -9.172 -15.625 4.319 587 HG2 MET 74 2HG MET 74 -8.698 -13.875 6.723 588 HG3 MET 74 1HG MET 74 -10.149 -14.832 6.510 589 HE1 MET 74 3HE MET 74 -6.121 -15.880 6.008 590 HE2 MET 74 1HE MET 74 -5.965 -16.444 7.650 591 HE3 MET 74 2HE MET 74 -6.351 -14.747 7.344 592 H VAL 75 H VAL 75 -8.655 -12.823 2.388 593 HA VAL 75 HA VAL 75 -8.417 -14.626 0.241 594 HB VAL 75 HB VAL 75 -8.827 -11.606 0.163 595 HG11 VAL 75 1HG1 VAL 75 -7.940 -12.393 -1.990 596 HG12 VAL 75 2HG1 VAL 75 -9.630 -11.913 -2.137 597 HG13 VAL 75 3HG1 VAL 75 -9.203 -13.623 -2.061 598 HG21 VAL 75 3HG2 VAL 75 -11.178 -12.208 -0.287 599 HG22 VAL 75 1HG2 VAL 75 -10.624 -12.795 1.283 600 HG23 VAL 75 2HG2 VAL 75 -10.760 -13.905 -0.080 601 H ALA 76 H ALA 76 -6.355 -11.945 1.274 602 HA ALA 76 HA ALA 76 -4.534 -12.039 -0.860 603 HB1 ALA 76 1HB ALA 76 -4.617 -10.191 0.737 604 HB2 ALA 76 2HB ALA 76 -2.989 -10.860 0.613 605 HB3 ALA 76 3HB ALA 76 -4.006 -11.255 2.002 606 H PHE 77 H PHE 77 -4.618 -13.733 2.211 607 HA PHE 77 HA PHE 77 -2.179 -15.087 1.917 608 HB2 PHE 77 2HB PHE 77 -3.318 -14.894 4.083 609 HB3 PHE 77 1HB PHE 77 -4.647 -15.878 3.482 610 HD1 PHE 77 2HD PHE 77 -1.073 -15.912 4.383 611 HD2 PHE 77 1HD PHE 77 -4.522 -18.232 3.496 612 HE1 PHE 77 2HE PHE 77 0.100 -17.927 5.123 613 HE2 PHE 77 1HE PHE 77 -3.365 -20.248 4.232 614 HZ PHE 77 HZ PHE 77 -1.039 -20.108 5.052 615 H GLU 78 H GLU 78 -5.496 -16.006 1.119 616 HA GLU 78 HA GLU 78 -5.029 -18.636 0.274 617 HB2 GLU 78 2HB GLU 78 -7.235 -17.238 0.714 618 HB3 GLU 78 1HB GLU 78 -7.122 -16.901 -1.000 619 HG2 GLU 78 2HG GLU 78 -7.382 -19.625 0.274 620 HG3 GLU 78 1HG GLU 78 -8.657 -18.737 -0.538 621 H LEU 79 H LEU 79 -5.014 -15.564 -1.499 622 HA LEU 79 HA LEU 79 -4.460 -16.834 -4.031 623 HB2 LEU 79 2HB LEU 79 -4.455 -13.924 -3.259 624 HB3 LEU 79 1HB LEU 79 -4.266 -14.526 -4.889 625 HG LEU 79 HG LEU 79 -6.716 -14.819 -3.165 626 HD11 LEU 79 1HD1 LEU 79 -6.170 -13.101 -5.587 627 HD12 LEU 79 2HD1 LEU 79 -6.369 -12.533 -3.929 628 HD13 LEU 79 3HD1 LEU 79 -7.728 -13.261 -4.782 629 HD21 LEU 79 3HD2 LEU 79 -6.205 -15.642 -6.024 630 HD22 LEU 79 1HD2 LEU 79 -7.788 -15.647 -5.239 631 HD23 LEU 79 2HD2 LEU 79 -6.516 -16.713 -4.656 632 H ASN 80 H ASN 80 -2.667 -15.799 -1.399 633 HA ASN 80 HA ASN 80 -0.498 -15.565 -0.896 634 HB2 ASN 80 2HB ASN 80 -0.352 -17.753 -2.272 635 HB3 ASN 80 1HB ASN 80 0.151 -16.770 -3.632 636 HD21 ASN 80 1HD2 ASN 80 1.922 -15.037 -2.056 637 HD22 ASN 80 2HD2 ASN 80 3.264 -16.008 -1.590 638 H ALA 81 H ALA 81 -1.780 -13.508 -1.681 639 HA ALA 81 HA ALA 81 -0.542 -12.135 -3.933 640 HB1 ALA 81 1HB ALA 81 -3.018 -11.489 -2.356 641 HB2 ALA 81 2HB ALA 81 -2.975 -12.369 -3.886 642 HB3 ALA 81 3HB ALA 81 -2.467 -10.682 -3.825 643 H LEU 82 H LEU 82 -0.658 -9.700 -3.561 644 HA LEU 82 HA LEU 82 1.096 -8.982 -1.368 645 HB2 LEU 82 2HB LEU 82 1.298 -8.307 -3.856 646 HB3 LEU 82 1HB LEU 82 -0.112 -7.321 -3.610 647 HG LEU 82 HG LEU 82 1.908 -5.993 -3.679 648 HD11 LEU 82 1HD1 LEU 82 0.157 -5.108 -2.309 649 HD12 LEU 82 2HD1 LEU 82 1.739 -4.741 -1.613 650 HD13 LEU 82 3HD1 LEU 82 0.747 -6.021 -0.918 651 HD21 LEU 82 3HD2 LEU 82 2.814 -7.576 -1.298 652 HD22 LEU 82 1HD2 LEU 82 3.619 -6.157 -1.963 653 HD23 LEU 82 2HD2 LEU 82 3.491 -7.631 -2.925 654 H LEU 83 H LEU 83 0.237 -7.811 0.416 655 HA LEU 83 HA LEU 83 -2.613 -7.182 0.172 656 HB2 LEU 83 2HB LEU 83 -2.126 -8.891 1.882 657 HB3 LEU 83 1HB LEU 83 -1.081 -7.751 2.707 658 HG LEU 83 HG LEU 83 -3.061 -6.261 3.038 659 HD11 LEU 83 1HD1 LEU 83 -4.609 -8.637 2.048 660 HD12 LEU 83 2HD1 LEU 83 -4.473 -7.074 1.244 661 HD13 LEU 83 3HD1 LEU 83 -5.289 -7.200 2.801 662 HD21 LEU 83 3HD2 LEU 83 -2.293 -7.696 4.826 663 HD22 LEU 83 1HD2 LEU 83 -3.263 -9.029 4.199 664 HD23 LEU 83 2HD2 LEU 83 -4.054 -7.587 4.834 665 H ILE 84 H ILE 84 -3.138 -5.189 0.143 666 HA ILE 84 HA ILE 84 -1.228 -3.152 1.043 667 HB ILE 84 HB ILE 84 -3.724 -2.797 -0.652 668 HG12 ILE 84 2HG1 ILE 84 -0.843 -2.998 -1.589 669 HG13 ILE 84 1HG1 ILE 84 -2.047 -4.264 -1.758 670 HG21 ILE 84 1HG2 ILE 84 -1.354 -0.982 -0.143 671 HG22 ILE 84 2HG2 ILE 84 -2.981 -0.772 0.505 672 HG23 ILE 84 3HG2 ILE 84 -2.700 -0.628 -1.229 673 HD11 ILE 84 3HD1 ILE 84 -2.218 -1.532 -2.997 674 HD12 ILE 84 1HD1 ILE 84 -3.364 -2.853 -3.214 675 HD13 ILE 84 2HD1 ILE 84 -1.716 -3.008 -3.823 676 H ALA 85 H ALA 85 -1.656 -2.564 3.091 677 HA ALA 85 HA ALA 85 -4.434 -2.094 3.847 678 HB1 ALA 85 1HB ALA 85 -2.477 -3.723 5.480 679 HB2 ALA 85 2HB ALA 85 -3.914 -4.337 4.663 680 HB3 ALA 85 3HB ALA 85 -4.079 -3.211 6.009 681 H GLU 86 H GLU 86 -4.615 -0.628 5.632 682 HA GLU 86 HA GLU 86 -2.195 0.992 5.890 683 HB2 GLU 86 2HB GLU 86 -5.045 1.758 5.738 684 HB3 GLU 86 1HB GLU 86 -3.954 2.762 6.684 685 HG2 GLU 86 2HG GLU 86 -3.536 1.996 3.815 686 HG3 GLU 86 1HG GLU 86 -4.204 3.533 4.375 687 H ASP 87 H ASP 87 -4.524 -0.745 7.723 688 HA ASP 87 HA ASP 87 -3.736 0.577 10.137 689 HB2 ASP 87 2HB ASP 87 -5.938 -0.396 10.162 690 HB3 ASP 87 1HB ASP 87 -5.285 -1.993 9.798 691 H LYS 88 H LYS 88 -2.248 0.174 11.444 692 HA LYS 88 HA LYS 88 0.109 -1.057 10.788 693 HB2 LYS 88 2HB LYS 88 -0.971 -0.513 13.548 694 HB3 LYS 88 1HB LYS 88 0.699 -0.849 13.135 695 HG2 LYS 88 2HG LYS 88 0.896 1.204 11.920 696 HG3 LYS 88 1HG LYS 88 -0.834 1.518 12.084 697 HD2 LYS 88 2HD LYS 88 0.469 2.855 13.680 698 HD3 LYS 88 1HD LYS 88 -0.581 1.713 14.513 699 HE2 LYS 88 2HE LYS 88 1.374 0.194 14.794 700 HE3 LYS 88 1HE LYS 88 2.389 1.417 14.030 701 HZ1 LYS 88 3HZ LYS 88 0.881 1.704 16.561 702 HZ2 LYS 88 1HZ LYS 88 1.837 2.922 15.867 703 HZ3 LYS 88 2HZ LYS 88 2.532 1.476 16.417 704 H ASP 89 H ASP 89 -2.462 -2.380 12.910 705 HA ASP 89 HA ASP 89 -0.840 -4.713 13.373 706 HB2 ASP 89 2HB ASP 89 -2.143 -3.700 15.227 707 HB3 ASP 89 1HB ASP 89 -3.624 -4.142 14.387 708 H VAL 90 H VAL 90 -3.588 -3.853 11.422 709 HA VAL 90 HA VAL 90 -4.322 -6.440 10.587 710 HB VAL 90 HB VAL 90 -4.373 -3.823 9.017 711 HG11 VAL 90 1HG1 VAL 90 -4.339 -5.744 7.452 712 HG12 VAL 90 2HG1 VAL 90 -5.879 -4.888 7.433 713 HG13 VAL 90 3HG1 VAL 90 -5.741 -6.424 8.287 714 HG21 VAL 90 3HG2 VAL 90 -6.558 -5.382 10.382 715 HG22 VAL 90 1HG2 VAL 90 -6.766 -3.874 9.493 716 HG23 VAL 90 2HG2 VAL 90 -5.820 -3.898 10.982 717 H ILE 91 H ILE 91 -1.914 -4.214 9.271 718 HA ILE 91 HA ILE 91 -0.796 -5.876 7.298 719 HB ILE 91 HB ILE 91 0.518 -3.729 8.987 720 HG12 ILE 91 2HG1 ILE 91 -0.533 -3.570 6.171 721 HG13 ILE 91 1HG1 ILE 91 -1.414 -3.002 7.594 722 HG21 ILE 91 1HG2 ILE 91 2.243 -3.590 7.245 723 HG22 ILE 91 2HG2 ILE 91 1.511 -4.961 6.414 724 HG23 ILE 91 3HG2 ILE 91 2.221 -5.179 8.013 725 HD11 ILE 91 3HD1 ILE 91 -0.335 -1.177 6.425 726 HD12 ILE 91 1HD1 ILE 91 1.226 -1.982 6.590 727 HD13 ILE 91 2HD1 ILE 91 0.375 -1.406 8.025 728 H ASN 92 H ASN 92 -0.055 -5.443 10.709 729 HA ASN 92 HA ASN 92 2.262 -7.021 10.845 730 HB2 ASN 92 2HB ASN 92 1.414 -5.414 12.627 731 HB3 ASN 92 1HB ASN 92 0.291 -6.683 13.104 732 HD21 ASN 92 1HD2 ASN 92 1.177 -8.684 14.030 733 HD22 ASN 92 2HD2 ASN 92 2.757 -8.643 14.675 734 H LYS 93 H LYS 93 -1.134 -7.833 11.486 735 HA LYS 93 HA LYS 93 -0.622 -10.467 12.314 736 HB2 LYS 93 2HB LYS 93 -2.702 -9.128 12.795 737 HB3 LYS 93 1HB LYS 93 -3.199 -9.428 11.136 738 HG2 LYS 93 2HG LYS 93 -4.316 -10.976 12.588 739 HG3 LYS 93 1HG LYS 93 -3.144 -11.866 11.605 740 HD2 LYS 93 2HD LYS 93 -1.538 -11.725 13.501 741 HD3 LYS 93 1HD LYS 93 -2.797 -10.960 14.461 742 HE2 LYS 93 2HE LYS 93 -4.149 -12.971 14.279 743 HE3 LYS 93 1HE LYS 93 -2.918 -13.714 13.254 744 HZ1 LYS 93 3HZ LYS 93 -2.577 -14.505 15.440 745 HZ2 LYS 93 1HZ LYS 93 -2.627 -12.940 16.104 746 HZ3 LYS 93 2HZ LYS 93 -1.348 -13.384 15.117 747 H ALA 94 H ALA 94 -1.376 -9.073 9.184 748 HA ALA 94 HA ALA 94 -1.681 -11.508 7.788 749 HB1 ALA 94 1HB ALA 94 -0.738 -8.834 6.772 750 HB2 ALA 94 2HB ALA 94 -2.417 -9.352 6.897 751 HB3 ALA 94 3HB ALA 94 -1.322 -10.167 5.779 752 H LYS 95 H LYS 95 1.051 -9.500 8.585 753 HA LYS 95 HA LYS 95 2.912 -10.973 7.031 754 HB2 LYS 95 2HB LYS 95 3.159 -8.585 7.660 755 HB3 LYS 95 1HB LYS 95 3.429 -9.064 9.321 756 HG2 LYS 95 2HG LYS 95 5.506 -10.067 8.809 757 HG3 LYS 95 1HG LYS 95 5.196 -9.996 7.072 758 HD2 LYS 95 2HD LYS 95 5.563 -7.592 8.874 759 HD3 LYS 95 1HD LYS 95 6.803 -8.266 7.817 760 HE2 LYS 95 2HE LYS 95 5.317 -7.841 5.866 761 HE3 LYS 95 1HE LYS 95 4.147 -7.092 6.939 762 HZ1 LYS 95 3HZ LYS 95 6.886 -6.117 6.365 763 HZ2 LYS 95 1HZ LYS 95 5.844 -5.427 7.512 764 HZ3 LYS 95 2HZ LYS 95 5.438 -5.432 5.886 765 H GLU 96 H GLU 96 1.641 -11.247 10.236 766 HA GLU 96 HA GLU 96 3.454 -13.087 11.376 767 HB2 GLU 96 2HB GLU 96 0.486 -12.703 11.795 768 HB3 GLU 96 1HB GLU 96 1.439 -13.834 12.736 769 HG2 GLU 96 2HG GLU 96 2.744 -12.028 13.647 770 HG3 GLU 96 1HG GLU 96 1.917 -10.873 12.602 771 H LEU 97 H LEU 97 0.708 -13.471 9.234 772 HA LEU 97 HA LEU 97 0.782 -16.355 9.297 773 HB2 LEU 97 2HB LEU 97 -0.693 -14.477 7.453 774 HB3 LEU 97 1HB LEU 97 -0.945 -16.205 7.557 775 HG LEU 97 HG LEU 97 -1.506 -14.223 9.766 776 HD11 LEU 97 1HD1 LEU 97 -3.854 -14.717 9.310 777 HD12 LEU 97 2HD1 LEU 97 -3.375 -15.725 7.943 778 HD13 LEU 97 3HD1 LEU 97 -3.054 -13.990 7.916 779 HD21 LEU 97 3HD2 LEU 97 -2.610 -16.121 10.878 780 HD22 LEU 97 1HD2 LEU 97 -0.885 -16.412 10.651 781 HD23 LEU 97 2HD2 LEU 97 -2.056 -17.189 9.588 782 H GLY 98 H GLY 98 2.340 -13.888 7.571 783 HA2 GLY 98 2HA GLY 98 4.295 -14.370 6.301 784 HA3 GLY 98 1HA GLY 98 3.582 -15.908 5.845 785 H VAL 99 H VAL 99 1.703 -12.971 5.698 786 HA VAL 99 HA VAL 99 1.700 -13.149 2.773 787 HB VAL 99 HB VAL 99 -0.024 -11.429 4.596 788 HG11 VAL 99 1HG1 VAL 99 -1.523 -11.228 2.668 789 HG12 VAL 99 2HG1 VAL 99 -0.387 -12.164 1.696 790 HG13 VAL 99 3HG1 VAL 99 0.083 -10.585 2.324 791 HG21 VAL 99 3HG2 VAL 99 -1.825 -13.055 4.247 792 HG22 VAL 99 1HG2 VAL 99 -0.446 -13.769 5.086 793 HG23 VAL 99 2HG2 VAL 99 -0.700 -14.093 3.370 794 H ASN 100 H ASN 100 2.486 -11.405 1.540 795 HA ASN 100 HA ASN 100 4.120 -9.557 3.013 796 HB2 ASN 100 2HB ASN 100 5.002 -10.475 0.896 797 HB3 ASN 100 1HB ASN 100 3.675 -9.722 0.016 798 HD21 ASN 100 1HD2 ASN 100 5.202 -8.572 -1.226 799 HD22 ASN 100 2HD2 ASN 100 6.002 -7.176 -0.604 800 H ALA 101 H ALA 101 2.805 -8.361 4.130 801 HA ALA 101 HA ALA 101 0.870 -6.674 2.728 802 HB1 ALA 101 1HB ALA 101 -0.128 -6.302 4.920 803 HB2 ALA 101 2HB ALA 101 1.131 -7.278 5.674 804 HB3 ALA 101 3HB ALA 101 -0.026 -8.029 4.579 805 H ILE 102 H ILE 102 1.236 -4.576 2.603 806 HA ILE 102 HA ILE 102 3.101 -3.322 4.381 807 HB ILE 102 HB ILE 102 4.158 -2.114 2.333 808 HG12 ILE 102 2HG1 ILE 102 4.433 -3.669 0.320 809 HG13 ILE 102 1HG1 ILE 102 3.083 -4.584 0.962 810 HG21 ILE 102 1HG2 ILE 102 5.456 -3.490 3.772 811 HG22 ILE 102 2HG2 ILE 102 5.929 -3.778 2.097 812 HG23 ILE 102 3HG2 ILE 102 4.916 -4.948 2.941 813 HD11 ILE 102 3HD1 ILE 102 2.450 -3.050 -0.825 814 HD12 ILE 102 1HD1 ILE 102 2.997 -1.699 0.158 815 HD13 ILE 102 2HD1 ILE 102 1.630 -2.683 0.695 816 HA PRO 103 HA PRO 103 0.211 0.046 4.010 817 HB2 PRO 103 2HB PRO 103 2.393 2.000 4.228 818 HB3 PRO 103 1HB PRO 103 1.090 1.657 5.370 819 HG2 PRO 103 2HG PRO 103 3.636 0.981 5.894 820 HG3 PRO 103 1HG PRO 103 2.273 -0.024 6.420 821 HD2 PRO 103 2HD PRO 103 4.091 -0.374 4.066 822 HD3 PRO 103 1HD PRO 103 3.520 -1.578 5.242 823 H ILE 104 H ILE 104 -0.232 2.052 2.826 824 HA ILE 104 HA ILE 104 -0.082 1.687 0.084 825 HB ILE 104 HB ILE 104 -0.829 4.072 1.745 826 HG12 ILE 104 2HG1 ILE 104 -2.483 2.149 0.103 827 HG13 ILE 104 1HG1 ILE 104 -2.238 2.051 1.842 828 HG21 ILE 104 1HG2 ILE 104 -0.071 4.980 -0.384 829 HG22 ILE 104 2HG2 ILE 104 -1.828 5.096 -0.267 830 HG23 ILE 104 3HG2 ILE 104 -1.090 3.834 -1.255 831 HD11 ILE 104 3HD1 ILE 104 -4.398 3.037 1.196 832 HD12 ILE 104 1HD1 ILE 104 -3.519 4.349 0.411 833 HD13 ILE 104 2HD1 ILE 104 -3.398 4.124 2.162 834 H GLU 105 H GLU 105 1.860 3.938 2.069 835 HA GLU 105 HA GLU 105 3.131 5.155 -0.138 836 HB2 GLU 105 2HB GLU 105 4.188 4.859 2.665 837 HB3 GLU 105 1HB GLU 105 4.855 5.904 1.421 838 HG2 GLU 105 2HG GLU 105 2.787 7.183 1.378 839 HG3 GLU 105 1HG GLU 105 2.119 6.144 2.634 840 H GLU 106 H GLU 106 3.990 2.352 1.754 841 HA GLU 106 HA GLU 106 6.434 1.970 0.385 842 HB2 GLU 106 2HB GLU 106 4.857 0.150 2.190 843 HB3 GLU 106 1HB GLU 106 6.316 -0.398 1.391 844 HG2 GLU 106 2HG GLU 106 7.015 0.244 3.538 845 HG3 GLU 106 1HG GLU 106 7.496 1.563 2.489 846 H LEU 107 H LEU 107 3.185 0.919 -0.128 847 HA LEU 107 HA LEU 107 3.658 -0.922 -2.201 848 HB2 LEU 107 2HB LEU 107 1.462 -0.575 -1.029 849 HB3 LEU 107 1HB LEU 107 1.317 0.976 -1.799 850 HG LEU 107 HG LEU 107 -0.142 -0.873 -2.694 851 HD11 LEU 107 1HD1 LEU 107 0.107 -0.260 -5.028 852 HD12 LEU 107 2HD1 LEU 107 1.672 0.471 -4.664 853 HD13 LEU 107 3HD1 LEU 107 0.203 1.145 -3.966 854 HD21 LEU 107 3HD2 LEU 107 0.859 -2.439 -4.294 855 HD22 LEU 107 1HD2 LEU 107 1.453 -2.697 -2.656 856 HD23 LEU 107 2HD2 LEU 107 2.461 -1.868 -3.843 857 H LEU 108 H LEU 108 3.350 2.553 -2.109 858 HA LEU 108 HA LEU 108 3.537 3.061 -4.895 859 HB2 LEU 108 2HB LEU 108 4.316 4.860 -2.598 860 HB3 LEU 108 1HB LEU 108 4.033 5.365 -4.247 861 HG LEU 108 HG LEU 108 1.942 4.258 -2.375 862 HD11 LEU 108 1HD1 LEU 108 1.071 6.536 -2.340 863 HD12 LEU 108 2HD1 LEU 108 2.432 7.072 -3.325 864 HD13 LEU 108 3HD1 LEU 108 2.713 6.462 -1.693 865 HD21 LEU 108 3HD2 LEU 108 1.676 5.452 -5.131 866 HD22 LEU 108 1HD2 LEU 108 0.341 4.971 -4.085 867 HD23 LEU 108 2HD2 LEU 108 1.444 3.751 -4.719 868 H ALA 109 H ALA 109 5.897 2.212 -2.540 869 HA ALA 109 HA ALA 109 8.080 3.091 -4.294 870 HB1 ALA 109 1HB ALA 109 9.542 2.858 -2.364 871 HB2 ALA 109 2HB ALA 109 8.203 2.224 -1.408 872 HB3 ALA 109 3HB ALA 109 8.163 3.890 -1.983 873 H SER 110 H SER 110 6.321 0.369 -3.938 874 HA SER 110 HA SER 110 8.643 -1.427 -4.197 875 HB2 SER 110 2HB SER 110 5.761 -2.069 -3.546 876 HB3 SER 110 1HB SER 110 7.067 -3.255 -3.646 877 HG SER 110 HG SER 110 6.771 -1.093 -1.862 878 H SER 111 H SER 111 7.548 0.278 -6.341 879 HA SER 111 HA SER 111 5.998 -1.101 -8.169 880 HB2 SER 111 2HB SER 111 8.098 0.984 -8.700 881 HB3 SER 111 1HB SER 111 6.842 0.482 -9.836 882 HG SER 111 HG SER 111 5.415 0.974 -7.925 883 H LEU 112 H LEU 112 6.278 -2.701 -9.406 884 HA LEU 112 HA LEU 112 8.973 -3.653 -10.079 885 HB2 LEU 112 2HB LEU 112 8.073 -5.880 -10.384 886 HB3 LEU 112 1HB LEU 112 7.595 -5.300 -8.815 887 HG LEU 112 HG LEU 112 5.751 -5.376 -11.220 888 HD11 LEU 112 1HD1 LEU 112 4.787 -7.379 -10.203 889 HD12 LEU 112 2HD1 LEU 112 6.038 -7.348 -8.965 890 HD13 LEU 112 3HD1 LEU 112 6.474 -7.621 -10.652 891 HD21 LEU 112 3HD2 LEU 112 5.249 -4.949 -8.268 892 HD22 LEU 112 1HD2 LEU 112 3.990 -5.321 -9.445 893 HD23 LEU 112 2HD2 LEU 112 4.892 -3.839 -9.604 894 H GLU 113 H GLU 113 7.572 -1.525 -11.302 895 HA GLU 113 HA GLU 113 6.240 -2.068 -13.679 896 HB2 GLU 113 2HB GLU 113 6.257 0.134 -12.691 897 HB3 GLU 113 1HB GLU 113 7.998 0.248 -12.863 898 HG2 GLU 113 2HG GLU 113 6.801 1.613 -14.504 899 HG3 GLU 113 1HG GLU 113 7.785 0.368 -15.269 900 H HIS 114 H HIS 114 9.661 -1.289 -13.226 901 HA HIS 114 HA HIS 114 10.195 -2.922 -15.594 902 HB2 HIS 114 2HB HIS 114 10.096 -0.379 -16.127 903 HB3 HIS 114 1HB HIS 114 11.614 -0.280 -15.247 904 HD1 HIS 114 1HD HIS 114 10.210 -1.042 -18.528 905 HD2 HIS 114 2HD HIS 114 13.759 -1.810 -16.510 906 HE1 HIS 114 1HE HIS 114 11.849 -1.771 -20.290 907 HE2 HIS 114 2HE HIS 114 14.045 -1.919 -19.054 908 H HIS 115 H HIS 115 11.557 -1.105 -12.883 909 HA HIS 115 HA HIS 115 12.912 -1.629 -11.204 910 HB2 HIS 115 2HB HIS 115 11.632 -3.744 -11.120 911 HB3 HIS 115 1HB HIS 115 12.820 -4.486 -12.182 912 HD1 HIS 115 1HD HIS 115 14.813 -5.590 -11.012 913 HD2 HIS 115 2HD HIS 115 12.719 -2.972 -8.548 914 HE1 HIS 115 1HE HIS 115 15.784 -5.880 -8.742 915 HE2 HIS 115 2HE HIS 115 14.253 -4.530 -7.246 916 H HIS 116 H HIS 116 13.912 -2.954 -14.231 917 HA HIS 116 HA HIS 116 16.682 -3.155 -13.504 918 HB2 HIS 116 2HB HIS 116 15.346 -3.359 -16.205 919 HB3 HIS 116 1HB HIS 116 17.042 -3.675 -15.898 920 HD1 HIS 116 1HD HIS 116 17.569 -5.866 -14.474 921 HD2 HIS 116 2HD HIS 116 13.606 -5.422 -15.620 922 HE1 HIS 116 1HE HIS 116 16.541 -8.140 -14.252 923 HE2 HIS 116 2HE HIS 116 14.287 -7.876 -15.305 924 H HIS 117 H HIS 117 18.055 -1.597 -13.470 925 HA HIS 117 HA HIS 117 17.507 0.991 -14.610 926 HB2 HIS 117 2HB HIS 117 19.872 1.566 -13.724 927 HB3 HIS 117 1HB HIS 117 18.646 1.167 -12.537 928 HD1 HIS 117 1HD HIS 117 19.053 -0.914 -11.078 929 HD2 HIS 117 2HD HIS 117 21.964 -0.363 -13.995 930 HE1 HIS 117 1HE HIS 117 20.894 -2.498 -10.497 931 HE2 HIS 117 2HE HIS 117 22.447 -2.368 -12.449 932 H HIS 118 H HIS 118 18.643 -1.729 -15.794 933 HA HIS 118 HA HIS 118 18.883 -1.051 -18.412 934 HB2 HIS 118 2HB HIS 118 21.171 -0.038 -17.575 935 HB3 HIS 118 1HB HIS 118 21.653 -1.715 -17.317 936 HD1 HIS 118 1HD HIS 118 22.589 -2.934 -19.369 937 HD2 HIS 118 2HD HIS 118 20.556 0.553 -20.363 938 HE1 HIS 118 1HE HIS 118 22.966 -2.607 -21.798 939 HE2 HIS 118 2HE HIS 118 21.961 -0.388 -22.316 940 H HIS 119 H HIS 119 20.471 -2.942 -15.900 941 HA HIS 119 HA HIS 119 18.569 -4.953 -16.215 942 HB2 HIS 119 2HB HIS 119 20.043 -6.853 -16.439 943 HB3 HIS 119 1HB HIS 119 20.552 -5.767 -17.697 944 HD1 HIS 119 1HD HIS 119 23.025 -5.350 -17.798 945 HD2 HIS 119 2HD HIS 119 21.867 -6.952 -14.139 946 HE1 HIS 119 1HE HIS 119 25.159 -5.886 -16.573 947 HE2 HIS 119 2HE HIS 119 24.377 -7.182 -14.567 Start of MODEL 11 1 H1 MET 1 1HT MET 1 0.030 -11.202 -10.829 2 H2 MET 1 2HT MET 1 1.715 -11.283 -10.635 3 H3 MET 1 3HT MET 1 0.885 -9.820 -10.408 4 HA MET 1 HA MET 1 0.511 -12.196 -8.723 5 HB2 MET 1 2HB MET 1 2.746 -11.012 -8.478 6 HB3 MET 1 1HB MET 1 1.860 -9.547 -8.098 7 HG2 MET 1 2HG MET 1 0.897 -10.653 -6.135 8 HG3 MET 1 1HG MET 1 1.840 -12.094 -6.508 9 HE1 MET 1 2HE MET 1 2.968 -12.171 -4.153 10 HE2 MET 1 3HE MET 1 1.962 -10.804 -3.678 11 HE3 MET 1 1HE MET 1 3.697 -10.766 -3.371 12 H PHE 2 H PHE 2 -1.075 -11.836 -7.092 13 HA PHE 2 HA PHE 2 -2.985 -9.775 -7.789 14 HB2 PHE 2 2HB PHE 2 -3.103 -11.961 -5.697 15 HB3 PHE 2 1HB PHE 2 -4.426 -10.880 -6.106 16 HD1 PHE 2 2HD PHE 2 -5.134 -10.930 -8.639 17 HD2 PHE 2 1HD PHE 2 -3.021 -14.053 -6.667 18 HE1 PHE 2 2HE PHE 2 -5.895 -12.524 -10.345 19 HE2 PHE 2 1HE PHE 2 -3.780 -15.650 -8.374 20 HZ PHE 2 HZ PHE 2 -5.221 -14.885 -10.217 21 H ALA 3 H ALA 3 -3.664 -8.205 -6.343 22 HA ALA 3 HA ALA 3 -2.106 -7.874 -3.889 23 HB1 ALA 3 1HB ALA 3 -1.976 -5.453 -4.306 24 HB2 ALA 3 2HB ALA 3 -2.746 -5.682 -5.876 25 HB3 ALA 3 3HB ALA 3 -1.145 -6.361 -5.569 26 H VAL 4 H VAL 4 -3.524 -7.973 -2.319 27 HA VAL 4 HA VAL 4 -6.307 -7.332 -2.904 28 HB VAL 4 HB VAL 4 -5.150 -8.724 -0.464 29 HG11 VAL 4 1HG1 VAL 4 -7.468 -9.354 0.048 30 HG12 VAL 4 2HG1 VAL 4 -8.027 -8.404 -1.330 31 HG13 VAL 4 3HG1 VAL 4 -7.265 -7.602 0.040 32 HG21 VAL 4 3HG2 VAL 4 -6.613 -9.885 -2.833 33 HG22 VAL 4 1HG2 VAL 4 -6.086 -10.774 -1.409 34 HG23 VAL 4 2HG2 VAL 4 -4.889 -10.067 -2.494 35 H ILE 5 H ILE 5 -7.272 -5.653 -2.126 36 HA ILE 5 HA ILE 5 -5.719 -3.741 -0.563 37 HB ILE 5 HB ILE 5 -8.404 -3.354 -1.929 38 HG12 ILE 5 2HG1 ILE 5 -5.637 -2.635 -2.953 39 HG13 ILE 5 1HG1 ILE 5 -6.581 -4.006 -3.522 40 HG21 ILE 5 1HG2 ILE 5 -7.877 -1.734 -0.153 41 HG22 ILE 5 2HG2 ILE 5 -7.851 -0.973 -1.743 42 HG23 ILE 5 3HG2 ILE 5 -6.337 -1.377 -0.937 43 HD11 ILE 5 3HD1 ILE 5 -8.293 -2.468 -4.350 44 HD12 ILE 5 1HD1 ILE 5 -6.713 -2.134 -5.061 45 HD13 ILE 5 2HD1 ILE 5 -7.332 -1.102 -3.776 46 H SER 6 H SER 6 -6.106 -3.485 1.562 47 HA SER 6 HA SER 6 -8.488 -4.662 2.733 48 HB2 SER 6 2HB SER 6 -6.113 -3.326 4.057 49 HB3 SER 6 1HB SER 6 -7.372 -4.264 4.863 50 HG SER 6 HG SER 6 -6.044 -5.455 2.758 51 HA PRO 7 HA PRO 7 -11.027 -1.010 2.914 52 HB2 PRO 7 2HB PRO 7 -11.130 -1.867 5.780 53 HB3 PRO 7 1HB PRO 7 -12.435 -1.255 4.749 54 HG2 PRO 7 2HG PRO 7 -12.198 -3.875 5.049 55 HG3 PRO 7 1HG PRO 7 -12.500 -3.193 3.445 56 HD2 PRO 7 2HD PRO 7 -9.990 -4.374 4.537 57 HD3 PRO 7 1HD PRO 7 -10.615 -4.329 2.881 58 H SER 8 H SER 8 -8.454 -1.214 5.432 59 HA SER 8 HA SER 8 -8.616 1.496 6.155 60 HB2 SER 8 2HB SER 8 -6.236 1.124 6.989 61 HB3 SER 8 1HB SER 8 -7.457 0.027 7.616 62 HG SER 8 HG SER 8 -6.733 -1.567 6.473 63 H ALA 9 H ALA 9 -7.344 0.024 3.330 64 HA ALA 9 HA ALA 9 -5.635 2.267 2.625 65 HB1 ALA 9 1HB ALA 9 -4.787 0.018 2.258 66 HB2 ALA 9 2HB ALA 9 -5.025 0.813 0.694 67 HB3 ALA 9 3HB ALA 9 -6.192 -0.366 1.271 68 H PHE 10 H PHE 10 -8.775 2.063 2.630 69 HA PHE 10 HA PHE 10 -9.393 2.503 -0.130 70 HB2 PHE 10 2HB PHE 10 -11.091 2.747 2.341 71 HB3 PHE 10 1HB PHE 10 -11.671 3.146 0.733 72 HD1 PHE 10 1HD PHE 10 -9.445 0.475 0.323 73 HD2 PHE 10 2HD PHE 10 -13.335 1.380 1.773 74 HE1 PHE 10 1HE PHE 10 -10.109 -1.861 -0.015 75 HE2 PHE 10 2HE PHE 10 -13.993 -0.957 1.445 76 HZ PHE 10 HZ PHE 10 -12.383 -2.578 0.551 77 H GLY 11 H GLY 11 -10.532 4.371 -0.903 78 HA2 GLY 11 2HA GLY 11 -10.759 6.637 -1.276 79 HA3 GLY 11 1HA GLY 11 -10.013 6.945 0.289 80 H LYS 12 H LYS 12 -7.697 5.423 -0.160 81 HA LYS 12 HA LYS 12 -6.212 7.204 -1.899 82 HB2 LYS 12 2HB LYS 12 -5.343 5.144 0.105 83 HB3 LYS 12 1HB LYS 12 -4.255 6.191 -0.810 84 HG2 LYS 12 2HG LYS 12 -5.196 8.148 0.273 85 HG3 LYS 12 1HG LYS 12 -6.371 7.139 1.120 86 HD2 LYS 12 2HD LYS 12 -4.530 7.689 2.621 87 HD3 LYS 12 1HD LYS 12 -4.557 5.971 2.192 88 HE2 LYS 12 2HE LYS 12 -2.759 6.266 0.623 89 HE3 LYS 12 1HE LYS 12 -2.774 8.011 0.866 90 HZ1 LYS 12 3HZ LYS 12 -2.159 6.043 3.014 91 HZ2 LYS 12 1HZ LYS 12 -1.989 7.720 3.072 92 HZ3 LYS 12 2HZ LYS 12 -0.978 6.802 2.075 93 H LEU 13 H LEU 13 -7.943 4.733 -2.443 94 HA LEU 13 HA LEU 13 -6.621 2.600 -3.629 95 HB2 LEU 13 2HB LEU 13 -9.132 3.954 -4.612 96 HB3 LEU 13 1HB LEU 13 -8.622 2.329 -5.010 97 HG LEU 13 HG LEU 13 -9.382 3.260 -2.241 98 HD11 LEU 13 1HD1 LEU 13 -10.932 1.639 -4.255 99 HD12 LEU 13 2HD1 LEU 13 -11.295 3.289 -3.753 100 HD13 LEU 13 3HD1 LEU 13 -11.423 1.966 -2.591 101 HD21 LEU 13 3HD2 LEU 13 -9.432 0.855 -1.754 102 HD22 LEU 13 1HD2 LEU 13 -7.818 1.401 -2.219 103 HD23 LEU 13 2HD2 LEU 13 -8.829 0.528 -3.375 104 H LYS 14 H LYS 14 -7.404 5.742 -4.869 105 HA LYS 14 HA LYS 14 -6.610 5.202 -7.540 106 HB2 LYS 14 2HB LYS 14 -7.334 7.741 -6.102 107 HB3 LYS 14 1HB LYS 14 -6.988 7.670 -7.832 108 HG2 LYS 14 2HG LYS 14 -8.831 6.260 -8.266 109 HG3 LYS 14 1HG LYS 14 -9.033 5.891 -6.559 110 HD2 LYS 14 2HD LYS 14 -9.485 8.609 -7.782 111 HD3 LYS 14 1HD LYS 14 -10.758 7.419 -7.512 112 HE2 LYS 14 2HE LYS 14 -10.140 7.420 -5.077 113 HE3 LYS 14 1HE LYS 14 -9.048 8.763 -5.414 114 HZ1 LYS 14 3HZ LYS 14 -11.200 9.519 -4.606 115 HZ2 LYS 14 1HZ LYS 14 -11.963 8.725 -5.868 116 HZ3 LYS 14 2HZ LYS 14 -10.957 10.054 -6.182 117 H GLU 15 H GLU 15 -4.922 6.174 -4.720 118 HA GLU 15 HA GLU 15 -2.668 7.285 -6.083 119 HB2 GLU 15 2HB GLU 15 -2.977 6.192 -3.279 120 HB3 GLU 15 1HB GLU 15 -1.511 6.940 -3.882 121 HG2 GLU 15 2HG GLU 15 -2.726 9.030 -4.225 122 HG3 GLU 15 1HG GLU 15 -4.192 8.267 -3.604 123 H ILE 16 H ILE 16 -3.244 4.241 -4.350 124 HA ILE 16 HA ILE 16 -0.849 3.020 -5.116 125 HB ILE 16 HB ILE 16 -1.944 0.819 -4.558 126 HG12 ILE 16 2HG1 ILE 16 -4.322 2.568 -3.873 127 HG13 ILE 16 1HG1 ILE 16 -4.257 1.403 -5.186 128 HG21 ILE 16 1HG2 ILE 16 -0.742 2.144 -2.906 129 HG22 ILE 16 2HG2 ILE 16 -2.093 1.256 -2.206 130 HG23 ILE 16 3HG2 ILE 16 -2.248 2.985 -2.519 131 HD11 ILE 16 3HD1 ILE 16 -4.027 -0.399 -3.583 132 HD12 ILE 16 1HD1 ILE 16 -5.488 0.551 -3.288 133 HD13 ILE 16 2HD1 ILE 16 -4.070 0.774 -2.257 134 H LEU 17 H LEU 17 -4.031 2.738 -6.577 135 HA LEU 17 HA LEU 17 -3.293 0.840 -8.507 136 HB2 LEU 17 2HB LEU 17 -5.565 1.180 -7.766 137 HB3 LEU 17 1HB LEU 17 -5.553 2.812 -8.386 138 HG LEU 17 HG LEU 17 -5.483 1.946 -10.678 139 HD11 LEU 17 1HD1 LEU 17 -5.662 -0.769 -9.368 140 HD12 LEU 17 2HD1 LEU 17 -4.276 -0.151 -10.269 141 HD13 LEU 17 3HD1 LEU 17 -5.805 -0.441 -11.094 142 HD21 LEU 17 3HD2 LEU 17 -7.630 0.783 -8.930 143 HD22 LEU 17 1HD2 LEU 17 -7.722 0.979 -10.676 144 HD23 LEU 17 2HD2 LEU 17 -7.603 2.401 -9.632 145 H GLY 18 H GLY 18 -3.540 4.390 -8.608 146 HA2 GLY 18 2HA GLY 18 -2.972 4.466 -11.408 147 HA3 GLY 18 1HA GLY 18 -3.101 5.843 -10.331 148 H SER 19 H SER 19 -1.016 4.810 -8.509 149 HA SER 19 HA SER 19 1.156 5.917 -10.050 150 HB2 SER 19 2HB SER 19 1.132 5.064 -7.155 151 HB3 SER 19 1HB SER 19 2.363 6.050 -7.947 152 HG SER 19 HG SER 19 -0.345 6.664 -7.463 153 H ASN 20 H ASN 20 0.204 2.734 -8.949 154 HA ASN 20 HA ASN 20 2.911 1.805 -9.621 155 HB2 ASN 20 2HB ASN 20 2.085 1.346 -7.273 156 HB3 ASN 20 1HB ASN 20 0.899 0.259 -7.966 157 HD21 ASN 20 1HD2 ASN 20 3.154 -0.244 -6.116 158 HD22 ASN 20 2HD2 ASN 20 4.088 -1.494 -6.852 159 H LYS 21 H LYS 21 -0.481 0.670 -9.844 160 HA LYS 21 HA LYS 21 -1.486 -0.830 -11.201 161 HB2 LYS 21 2HB LYS 21 0.580 0.143 -13.224 162 HB3 LYS 21 1HB LYS 21 -0.856 -0.781 -13.636 163 HG2 LYS 21 2HG LYS 21 -2.249 1.075 -12.753 164 HG3 LYS 21 1HG LYS 21 -0.779 1.993 -12.461 165 HD2 LYS 21 2HD LYS 21 -1.776 1.041 -15.152 166 HD3 LYS 21 1HD LYS 21 -1.886 2.679 -14.534 167 HE2 LYS 21 2HE LYS 21 0.617 2.717 -14.400 168 HE3 LYS 21 1HE LYS 21 0.621 1.149 -15.203 169 HZ1 LYS 21 3HZ LYS 21 0.943 2.953 -16.770 170 HZ2 LYS 21 1HZ LYS 21 -0.515 3.649 -16.306 171 HZ3 LYS 21 2HZ LYS 21 -0.520 2.169 -17.095 172 H ASN 22 H ASN 22 -0.290 -2.513 -13.230 173 HA ASN 22 HA ASN 22 1.032 -4.313 -13.671 174 HB2 ASN 22 2HB ASN 22 2.936 -2.839 -13.038 175 HB3 ASN 22 1HB ASN 22 2.773 -3.382 -11.376 176 HD21 ASN 22 1HD2 ASN 22 3.688 -4.264 -14.578 177 HD22 ASN 22 2HD2 ASN 22 4.635 -5.652 -14.170 178 H TYR 23 H TYR 23 -0.337 -3.932 -10.630 179 HA TYR 23 HA TYR 23 -0.098 -6.797 -10.048 180 HB2 TYR 23 2HB TYR 23 -0.987 -4.468 -8.349 181 HB3 TYR 23 1HB TYR 23 -1.196 -6.140 -7.865 182 HD1 TYR 23 1HD TYR 23 0.784 -7.518 -7.342 183 HD2 TYR 23 2HD TYR 23 1.126 -3.359 -8.163 184 HE1 TYR 23 1HE TYR 23 3.001 -7.500 -6.284 185 HE2 TYR 23 2HE TYR 23 3.350 -3.333 -7.112 186 HH TYR 23 HH TYR 23 4.574 -4.690 -5.386 187 H LYS 24 H LYS 24 -1.968 -7.991 -9.650 188 HA LYS 24 HA LYS 24 -4.304 -6.858 -10.924 189 HB2 LYS 24 2HB LYS 24 -3.555 -9.185 -11.488 190 HB3 LYS 24 1HB LYS 24 -3.889 -9.663 -9.832 191 HG2 LYS 24 2HG LYS 24 -5.686 -10.325 -11.367 192 HG3 LYS 24 1HG LYS 24 -6.255 -9.171 -10.158 193 HD2 LYS 24 2HD LYS 24 -6.186 -7.372 -11.727 194 HD3 LYS 24 1HD LYS 24 -5.360 -8.372 -12.920 195 HE2 LYS 24 2HE LYS 24 -8.150 -8.852 -11.892 196 HE3 LYS 24 1HE LYS 24 -7.763 -8.023 -13.396 197 HZ1 LYS 24 3HZ LYS 24 -7.107 -10.864 -12.765 198 HZ2 LYS 24 1HZ LYS 24 -6.679 -10.046 -14.175 199 HZ3 LYS 24 2HZ LYS 24 -8.282 -10.320 -13.832 200 H PHE 25 H PHE 25 -5.166 -5.507 -9.577 201 HA PHE 25 HA PHE 25 -5.052 -5.840 -6.756 202 HB2 PHE 25 2HB PHE 25 -6.418 -3.821 -8.507 203 HB3 PHE 25 1HB PHE 25 -6.452 -3.735 -6.745 204 HD1 PHE 25 2HD PHE 25 -4.341 -3.451 -9.751 205 HD2 PHE 25 1HD PHE 25 -4.518 -2.972 -5.530 206 HE1 PHE 25 2HE PHE 25 -2.226 -2.204 -9.811 207 HE2 PHE 25 1HE PHE 25 -2.401 -1.717 -5.585 208 HZ PHE 25 HZ PHE 25 -1.249 -1.333 -7.725 209 H VAL 26 H VAL 26 -6.405 -6.725 -5.501 210 HA VAL 26 HA VAL 26 -9.039 -7.546 -6.490 211 HB VAL 26 HB VAL 26 -7.235 -9.036 -4.562 212 HG11 VAL 26 1HG1 VAL 26 -8.841 -10.880 -4.780 213 HG12 VAL 26 2HG1 VAL 26 -9.863 -9.858 -5.790 214 HG13 VAL 26 3HG1 VAL 26 -9.582 -9.429 -4.104 215 HG21 VAL 26 3HG2 VAL 26 -6.983 -10.731 -6.334 216 HG22 VAL 26 1HG2 VAL 26 -6.304 -9.168 -6.794 217 HG23 VAL 26 2HG2 VAL 26 -7.866 -9.676 -7.437 218 H ILE 27 H ILE 27 -10.650 -7.016 -5.172 219 HA ILE 27 HA ILE 27 -10.007 -6.123 -2.464 220 HB ILE 27 HB ILE 27 -10.594 -4.215 -3.956 221 HG12 ILE 27 2HG1 ILE 27 -12.696 -4.804 -1.854 222 HG13 ILE 27 1HG1 ILE 27 -11.134 -4.060 -1.576 223 HG21 ILE 27 1HG2 ILE 27 -12.876 -3.971 -4.832 224 HG22 ILE 27 2HG2 ILE 27 -13.221 -5.622 -4.316 225 HG23 ILE 27 3HG2 ILE 27 -12.003 -5.327 -5.553 226 HD11 ILE 27 3HD1 ILE 27 -11.777 -2.144 -2.910 227 HD12 ILE 27 1HD1 ILE 27 -12.921 -2.410 -1.595 228 HD13 ILE 27 2HD1 ILE 27 -13.344 -2.887 -3.239 229 H THR 28 H THR 28 -11.786 -6.589 -0.909 230 HA THR 28 HA THR 28 -12.923 -9.139 -1.582 231 HB THR 28 HB THR 28 -13.472 -9.101 0.886 232 HG1 THR 28 1HG THR 28 -12.353 -7.524 2.076 233 HG21 THR 28 3HG2 THR 28 -11.511 -10.239 -0.114 234 HG22 THR 28 1HG2 THR 28 -11.191 -9.614 1.505 235 HG23 THR 28 2HG2 THR 28 -10.582 -8.754 0.090 236 H THR 29 H THR 29 -15.105 -9.650 -0.700 237 HA THR 29 HA THR 29 -17.087 -8.067 -1.793 238 HB THR 29 HB THR 29 -18.328 -9.670 0.055 239 HG1 THR 29 1HG THR 29 -16.135 -10.455 0.617 240 HG21 THR 29 3HG2 THR 29 -18.630 -11.195 -1.860 241 HG22 THR 29 1HG2 THR 29 -17.334 -10.364 -2.717 242 HG23 THR 29 2HG2 THR 29 -18.833 -9.512 -2.341 243 H LEU 30 H LEU 30 -16.064 -8.496 1.605 244 HA LEU 30 HA LEU 30 -17.985 -6.625 2.564 245 HB2 LEU 30 2HB LEU 30 -15.447 -7.643 3.845 246 HB3 LEU 30 1HB LEU 30 -16.658 -6.679 4.660 247 HG LEU 30 HG LEU 30 -17.030 -9.483 3.601 248 HD11 LEU 30 1HD1 LEU 30 -17.242 -10.086 5.960 249 HD12 LEU 30 2HD1 LEU 30 -16.875 -8.422 6.412 250 HD13 LEU 30 3HD1 LEU 30 -15.659 -9.401 5.594 251 HD21 LEU 30 3HD2 LEU 30 -19.224 -9.390 4.715 252 HD22 LEU 30 1HD2 LEU 30 -19.103 -8.221 3.402 253 HD23 LEU 30 2HD2 LEU 30 -18.958 -7.684 5.075 254 H GLY 31 H GLY 31 -14.932 -6.422 1.103 255 HA2 GLY 31 2HA GLY 31 -14.112 -3.865 1.999 256 HA3 GLY 31 1HA GLY 31 -13.546 -4.697 0.552 257 H VAL 32 H VAL 32 -15.558 -4.882 -1.123 258 HA VAL 32 HA VAL 32 -15.934 -2.256 -2.039 259 HB VAL 32 HB VAL 32 -17.636 -3.116 -3.655 260 HG11 VAL 32 1HG1 VAL 32 -15.123 -4.739 -3.459 261 HG12 VAL 32 2HG1 VAL 32 -15.318 -3.177 -4.261 262 HG13 VAL 32 3HG1 VAL 32 -16.137 -4.603 -4.893 263 HG21 VAL 32 3HG2 VAL 32 -18.078 -5.532 -3.803 264 HG22 VAL 32 1HG2 VAL 32 -18.676 -4.854 -2.288 265 HG23 VAL 32 2HG2 VAL 32 -17.178 -5.781 -2.305 266 H SER 33 H SER 33 -18.033 -4.270 -0.109 267 HA SER 33 HA SER 33 -20.212 -2.525 -0.148 268 HB2 SER 33 2HB SER 33 -19.415 -4.590 1.893 269 HB3 SER 33 1HB SER 33 -21.017 -3.856 1.732 270 HG SER 33 HG SER 33 -20.723 -4.614 -0.575 271 H PHE 34 H PHE 34 -17.321 -2.681 1.909 272 HA PHE 34 HA PHE 34 -18.197 -0.815 3.839 273 HB2 PHE 34 2HB PHE 34 -16.285 -2.334 4.257 274 HB3 PHE 34 1HB PHE 34 -15.369 -1.530 2.994 275 HD1 PHE 34 2HD PHE 34 -16.962 -0.970 6.301 276 HD2 PHE 34 1HD PHE 34 -14.056 0.346 3.490 277 HE1 PHE 34 2HE PHE 34 -16.070 0.613 7.963 278 HE2 PHE 34 1HE PHE 34 -13.163 1.932 5.146 279 HZ PHE 34 HZ PHE 34 -14.172 2.064 7.385 280 H ALA 35 H ALA 35 -16.447 -0.562 0.809 281 HA ALA 35 HA ALA 35 -15.920 2.186 0.878 282 HB1 ALA 35 1HB ALA 35 -16.474 0.446 -1.534 283 HB2 ALA 35 2HB ALA 35 -14.901 0.675 -0.774 284 HB3 ALA 35 3HB ALA 35 -15.701 2.031 -1.567 285 H ILE 36 H ILE 36 -18.615 0.388 -0.503 286 HA ILE 36 HA ILE 36 -20.176 2.492 -1.422 287 HB ILE 36 HB ILE 36 -21.088 -0.174 -0.310 288 HG12 ILE 36 2HG1 ILE 36 -19.660 -0.378 -2.276 289 HG13 ILE 36 1HG1 ILE 36 -21.311 -0.831 -2.672 290 HG21 ILE 36 1HG2 ILE 36 -22.956 1.364 -0.212 291 HG22 ILE 36 2HG2 ILE 36 -23.217 0.171 -1.485 292 HG23 ILE 36 3HG2 ILE 36 -22.714 1.809 -1.902 293 HD11 ILE 36 3HD1 ILE 36 -21.637 1.383 -3.705 294 HD12 ILE 36 1HD1 ILE 36 -20.336 0.456 -4.452 295 HD13 ILE 36 2HD1 ILE 36 -19.951 1.768 -3.350 296 H LYS 37 H LYS 37 -20.311 0.996 1.833 297 HA LYS 37 HA LYS 37 -22.424 2.726 2.619 298 HB2 LYS 37 2HB LYS 37 -22.171 1.779 4.893 299 HB3 LYS 37 1HB LYS 37 -22.338 0.563 3.653 300 HG2 LYS 37 2HG LYS 37 -20.700 -0.319 5.065 301 HG3 LYS 37 1HG LYS 37 -19.794 0.383 3.736 302 HD2 LYS 37 2HD LYS 37 -18.698 0.887 5.857 303 HD3 LYS 37 1HD LYS 37 -19.309 2.366 5.123 304 HE2 LYS 37 2HE LYS 37 -21.196 2.399 6.629 305 HE3 LYS 37 1HE LYS 37 -20.757 0.820 7.280 306 HZ1 LYS 37 3HZ LYS 37 -20.105 2.608 8.741 307 HZ2 LYS 37 1HZ LYS 37 -19.143 3.312 7.547 308 HZ3 LYS 37 2HZ LYS 37 -18.741 1.801 8.181 309 H SER 38 H SER 38 -19.148 3.317 2.382 310 HA SER 38 HA SER 38 -19.389 5.451 4.357 311 HB2 SER 38 2HB SER 38 -17.505 3.874 4.680 312 HB3 SER 38 1HB SER 38 -16.888 4.283 3.085 313 HG SER 38 HG SER 38 -17.364 6.423 4.758 314 H GLY 39 H GLY 39 -19.907 4.970 1.175 315 HA2 GLY 39 2HA GLY 39 -20.222 6.422 -0.560 316 HA3 GLY 39 1HA GLY 39 -19.834 7.741 0.541 317 H ILE 40 H ILE 40 -17.711 5.073 -0.035 318 HA ILE 40 HA ILE 40 -15.673 6.886 -0.997 319 HB ILE 40 HB ILE 40 -15.557 3.923 -0.326 320 HG12 ILE 40 2HG1 ILE 40 -14.518 6.322 1.196 321 HG13 ILE 40 1HG1 ILE 40 -15.970 5.424 1.601 322 HG21 ILE 40 1HG2 ILE 40 -13.862 4.522 -2.001 323 HG22 ILE 40 2HG2 ILE 40 -13.117 4.144 -0.448 324 HG23 ILE 40 3HG2 ILE 40 -13.288 5.825 -0.957 325 HD11 ILE 40 3HD1 ILE 40 -14.112 4.814 3.043 326 HD12 ILE 40 1HD1 ILE 40 -13.149 4.367 1.636 327 HD13 ILE 40 2HD1 ILE 40 -14.594 3.442 2.051 328 H ASP 41 H ASP 41 -15.076 7.013 -3.068 329 HA ASP 41 HA ASP 41 -16.737 5.763 -4.958 330 HB2 ASP 41 2HB ASP 41 -15.472 7.039 -6.657 331 HB3 ASP 41 1HB ASP 41 -16.025 8.047 -5.343 332 H ILE 42 H ILE 42 -16.590 3.883 -5.647 333 HA ILE 42 HA ILE 42 -13.994 2.489 -5.629 334 HB ILE 42 HB ILE 42 -15.532 1.689 -3.901 335 HG12 ILE 42 2HG1 ILE 42 -15.599 -0.747 -4.478 336 HG13 ILE 42 1HG1 ILE 42 -15.144 -0.332 -6.125 337 HG21 ILE 42 1HG2 ILE 42 -17.620 0.524 -4.461 338 HG22 ILE 42 2HG2 ILE 42 -17.418 1.027 -6.140 339 HG23 ILE 42 3HG2 ILE 42 -17.647 2.239 -4.878 340 HD11 ILE 42 3HD1 ILE 42 -13.035 0.597 -5.293 341 HD12 ILE 42 1HD1 ILE 42 -13.231 -1.103 -4.851 342 HD13 ILE 42 2HD1 ILE 42 -13.510 0.161 -3.652 343 H ASP 43 H ASP 43 -16.603 3.480 -7.615 344 HA ASP 43 HA ASP 43 -16.754 1.344 -9.455 345 HB2 ASP 43 2HB ASP 43 -17.348 4.277 -9.919 346 HB3 ASP 43 1HB ASP 43 -17.662 3.018 -11.099 347 H SER 44 H SER 44 -14.779 4.231 -9.443 348 HA SER 44 HA SER 44 -13.585 3.878 -11.939 349 HB2 SER 44 2HB SER 44 -13.562 5.985 -10.632 350 HB3 SER 44 1HB SER 44 -12.425 5.250 -9.505 351 HG SER 44 HG SER 44 -11.678 6.621 -11.349 352 H ALA 45 H ALA 45 -12.849 2.481 -8.803 353 HA ALA 45 HA ALA 45 -10.241 1.568 -9.449 354 HB1 ALA 45 1HB ALA 45 -10.472 0.138 -7.467 355 HB2 ALA 45 2HB ALA 45 -12.195 0.503 -7.405 356 HB3 ALA 45 3HB ALA 45 -11.013 1.781 -7.122 357 H LEU 46 H LEU 46 -13.395 0.005 -9.365 358 HA LEU 46 HA LEU 46 -12.632 -2.497 -10.398 359 HB2 LEU 46 2HB LEU 46 -15.272 -1.069 -10.710 360 HB3 LEU 46 1HB LEU 46 -15.008 -2.790 -10.894 361 HG LEU 46 HG LEU 46 -14.714 -1.247 -8.311 362 HD11 LEU 46 1HD1 LEU 46 -17.023 -1.388 -9.016 363 HD12 LEU 46 2HD1 LEU 46 -16.731 -2.423 -7.618 364 HD13 LEU 46 3HD1 LEU 46 -16.868 -3.132 -9.228 365 HD21 LEU 46 3HD2 LEU 46 -14.551 -3.456 -7.256 366 HD22 LEU 46 1HD2 LEU 46 -13.228 -3.190 -8.392 367 HD23 LEU 46 2HD2 LEU 46 -14.586 -4.218 -8.846 368 H ASP 47 H ASP 47 -13.828 0.415 -11.910 369 HA ASP 47 HA ASP 47 -13.976 -0.264 -14.590 370 HB2 ASP 47 2HB ASP 47 -14.818 1.833 -13.761 371 HB3 ASP 47 1HB ASP 47 -13.207 2.323 -13.264 372 H ARG 48 H ARG 48 -11.162 0.895 -12.777 373 HA ARG 48 HA ARG 48 -9.456 0.858 -15.069 374 HB2 ARG 48 2HB ARG 48 -8.882 1.170 -12.167 375 HB3 ARG 48 1HB ARG 48 -7.616 1.216 -13.390 376 HG2 ARG 48 2HG ARG 48 -8.802 3.150 -14.412 377 HG3 ARG 48 1HG ARG 48 -9.928 3.108 -13.047 378 HD2 ARG 48 2HD ARG 48 -8.043 3.324 -11.527 379 HD3 ARG 48 1HD ARG 48 -6.951 3.481 -12.896 380 HE ARG 48 HE ARG 48 -9.141 5.380 -12.681 381 HH11 ARG 48 1HH1 ARG 48 -5.655 4.751 -12.468 382 HH12 ARG 48 2HH1 ARG 48 -5.223 6.375 -12.218 383 HH21 ARG 48 1HH2 ARG 48 -8.506 7.655 -12.306 384 HH22 ARG 48 2HH2 ARG 48 -6.848 8.041 -12.162 385 H GLY 49 H GLY 49 -10.502 -1.601 -12.988 386 HA2 GLY 49 2HA GLY 49 -9.846 -3.805 -14.004 387 HA3 GLY 49 1HA GLY 49 -8.203 -3.210 -13.915 388 H VAL 50 H VAL 50 -9.997 -2.356 -11.139 389 HA VAL 50 HA VAL 50 -8.683 -4.417 -9.597 390 HB VAL 50 HB VAL 50 -10.705 -2.300 -8.728 391 HG11 VAL 50 1HG1 VAL 50 -10.713 -4.203 -7.189 392 HG12 VAL 50 2HG1 VAL 50 -9.996 -2.785 -6.430 393 HG13 VAL 50 3HG1 VAL 50 -8.962 -4.086 -7.020 394 HG21 VAL 50 3HG2 VAL 50 -8.777 -1.135 -7.756 395 HG22 VAL 50 1HG2 VAL 50 -8.629 -1.314 -9.503 396 HG23 VAL 50 2HG2 VAL 50 -7.702 -2.357 -8.426 397 H ILE 51 H ILE 51 -9.627 -6.268 -8.867 398 HA ILE 51 HA ILE 51 -12.399 -6.705 -9.743 399 HB ILE 51 HB ILE 51 -11.913 -9.119 -9.802 400 HG12 ILE 51 2HG1 ILE 51 -9.017 -8.332 -9.349 401 HG13 ILE 51 1HG1 ILE 51 -10.047 -9.103 -8.150 402 HG21 ILE 51 1HG2 ILE 51 -10.528 -9.108 -11.826 403 HG22 ILE 51 2HG2 ILE 51 -10.086 -7.433 -11.496 404 HG23 ILE 51 3HG2 ILE 51 -11.764 -7.850 -11.842 405 HD11 ILE 51 3HD1 ILE 51 -9.250 -10.299 -10.797 406 HD12 ILE 51 1HD1 ILE 51 -10.237 -11.068 -9.558 407 HD13 ILE 51 2HD1 ILE 51 -8.544 -10.697 -9.228 408 H VAL 52 H VAL 52 -13.733 -8.009 -8.407 409 HA VAL 52 HA VAL 52 -12.933 -7.848 -5.609 410 HB VAL 52 HB VAL 52 -14.863 -6.441 -6.046 411 HG11 VAL 52 1HG1 VAL 52 -15.703 -7.397 -8.069 412 HG12 VAL 52 2HG1 VAL 52 -17.002 -7.349 -6.875 413 HG13 VAL 52 3HG1 VAL 52 -16.170 -8.868 -7.224 414 HG21 VAL 52 3HG2 VAL 52 -15.720 -8.963 -4.624 415 HG22 VAL 52 1HG2 VAL 52 -16.539 -7.404 -4.511 416 HG23 VAL 52 2HG2 VAL 52 -14.894 -7.583 -3.903 417 H ARG 53 H ARG 53 -12.985 -9.633 -4.371 418 HA ARG 53 HA ARG 53 -13.888 -12.125 -5.641 419 HB2 ARG 53 2HB ARG 53 -11.377 -11.885 -5.658 420 HB3 ARG 53 1HB ARG 53 -11.424 -11.840 -3.903 421 HG2 ARG 53 2HG ARG 53 -10.808 -14.047 -4.559 422 HG3 ARG 53 1HG ARG 53 -12.462 -14.116 -3.954 423 HD2 ARG 53 2HD ARG 53 -13.292 -14.049 -6.285 424 HD3 ARG 53 1HD ARG 53 -11.626 -14.042 -6.857 425 HE ARG 53 HE ARG 53 -12.399 -16.235 -5.124 426 HH11 ARG 53 1HH1 ARG 53 -11.801 -15.209 -8.499 427 HH12 ARG 53 2HH1 ARG 53 -11.767 -16.810 -9.075 428 HH21 ARG 53 1HH2 ARG 53 -12.329 -18.372 -5.981 429 HH22 ARG 53 2HH2 ARG 53 -12.093 -18.633 -7.645 430 H ALA 54 H ALA 54 -15.129 -13.366 -4.352 431 HA ALA 54 HA ALA 54 -15.790 -12.303 -1.732 432 HB1 ALA 54 1HB ALA 54 -17.142 -14.427 -3.387 433 HB2 ALA 54 2HB ALA 54 -17.593 -12.726 -3.331 434 HB3 ALA 54 3HB ALA 54 -17.748 -13.730 -1.886 435 H PHE 55 H PHE 55 -15.202 -13.272 0.083 436 HA PHE 55 HA PHE 55 -13.892 -15.875 0.005 437 HB2 PHE 55 2HB PHE 55 -13.022 -13.899 1.371 438 HB3 PHE 55 1HB PHE 55 -14.446 -14.074 2.383 439 HD1 PHE 55 2HD PHE 55 -11.321 -15.678 1.300 440 HD2 PHE 55 1HD PHE 55 -14.549 -15.759 4.068 441 HE1 PHE 55 2HE PHE 55 -10.102 -17.307 2.661 442 HE2 PHE 55 1HE PHE 55 -13.336 -17.396 5.433 443 HZ PHE 55 HZ PHE 55 -11.098 -18.168 4.725 444 H SER 56 H SER 56 -14.909 -17.728 0.966 445 HA SER 56 HA SER 56 -17.742 -17.292 0.944 446 HB2 SER 56 2HB SER 56 -16.196 -19.862 0.831 447 HB3 SER 56 1HB SER 56 -17.960 -19.740 0.719 448 HG SER 56 HG SER 56 -17.538 -18.181 -0.975 449 H HIS 57 H HIS 57 -15.614 -19.103 3.254 450 HA HIS 57 HA HIS 57 -16.732 -17.928 5.510 451 HB2 HIS 57 2HB HIS 57 -18.844 -19.090 4.791 452 HB3 HIS 57 1HB HIS 57 -18.021 -20.627 4.988 453 HD1 HIS 57 1HD HIS 57 -20.256 -18.483 6.717 454 HD2 HIS 57 2HD HIS 57 -17.029 -20.813 7.873 455 HE1 HIS 57 1HE HIS 57 -20.579 -18.892 9.160 456 HE2 HIS 57 2HE HIS 57 -18.861 -20.630 9.698 457 H LYS 58 H LYS 58 -14.685 -18.062 6.280 458 HA LYS 58 HA LYS 58 -14.191 -20.557 7.660 459 HB2 LYS 58 2HB LYS 58 -12.004 -18.844 6.425 460 HB3 LYS 58 1HB LYS 58 -11.735 -20.121 7.586 461 HG2 LYS 58 2HG LYS 58 -12.661 -21.748 5.956 462 HG3 LYS 58 1HG LYS 58 -12.787 -20.440 4.778 463 HD2 LYS 58 2HD LYS 58 -10.748 -21.668 4.373 464 HD3 LYS 58 1HD LYS 58 -10.330 -20.074 4.993 465 HE2 LYS 58 2HE LYS 58 -10.042 -21.072 7.254 466 HE3 LYS 58 1HE LYS 58 -10.390 -22.657 6.564 467 HZ1 LYS 58 3HZ LYS 58 -8.029 -22.346 6.747 468 HZ2 LYS 58 1HZ LYS 58 -8.112 -20.890 5.903 469 HZ3 LYS 58 2HZ LYS 58 -8.438 -22.331 5.117 470 HA PRO 59 HA PRO 59 -14.050 -17.495 10.919 471 HB2 PRO 59 2HB PRO 59 -12.223 -19.243 12.437 472 HB3 PRO 59 1HB PRO 59 -13.854 -18.729 12.862 473 HG2 PRO 59 2HG PRO 59 -13.311 -21.267 12.150 474 HG3 PRO 59 1HG PRO 59 -14.848 -20.486 11.737 475 HD2 PRO 59 2HD PRO 59 -12.442 -20.958 10.013 476 HD3 PRO 59 1HD PRO 59 -14.172 -21.124 9.627 477 HA PRO 60 HA PRO 60 -10.005 -15.926 9.615 478 HB2 PRO 60 2HB PRO 60 -10.699 -13.422 10.921 479 HB3 PRO 60 1HB PRO 60 -10.519 -13.752 9.196 480 HG2 PRO 60 2HG PRO 60 -12.919 -13.203 10.354 481 HG3 PRO 60 1HG PRO 60 -12.743 -14.235 8.923 482 HD2 PRO 60 2HD PRO 60 -13.117 -15.024 11.788 483 HD3 PRO 60 1HD PRO 60 -13.842 -15.695 10.305 484 H LYS 61 H LYS 61 -8.155 -16.147 10.676 485 HA LYS 61 HA LYS 61 -8.172 -16.010 13.568 486 HB2 LYS 61 2HB LYS 61 -6.078 -16.880 11.572 487 HB3 LYS 61 1HB LYS 61 -5.777 -16.786 13.304 488 HG2 LYS 61 2HG LYS 61 -7.425 -18.455 13.750 489 HG3 LYS 61 1HG LYS 61 -7.944 -18.457 12.065 490 HD2 LYS 61 2HD LYS 61 -5.842 -19.365 11.366 491 HD3 LYS 61 1HD LYS 61 -5.177 -19.201 12.989 492 HE2 LYS 61 2HE LYS 61 -7.553 -20.919 12.297 493 HE3 LYS 61 1HE LYS 61 -5.907 -21.528 12.388 494 HZ1 LYS 61 3HZ LYS 61 -6.993 -21.962 14.444 495 HZ2 LYS 61 1HZ LYS 61 -7.490 -20.353 14.618 496 HZ3 LYS 61 2HZ LYS 61 -5.859 -20.770 14.719 497 H VAL 62 H VAL 62 -7.957 -14.114 14.402 498 HA VAL 62 HA VAL 62 -5.914 -12.251 13.527 499 HB VAL 62 HB VAL 62 -7.467 -10.341 13.416 500 HG11 VAL 62 1HG1 VAL 62 -6.947 -11.426 11.298 501 HG12 VAL 62 2HG1 VAL 62 -8.591 -10.782 11.282 502 HG13 VAL 62 3HG1 VAL 62 -8.320 -12.508 11.506 503 HG21 VAL 62 3HG2 VAL 62 -9.223 -11.166 14.890 504 HG22 VAL 62 1HG2 VAL 62 -9.696 -12.363 13.682 505 HG23 VAL 62 2HG2 VAL 62 -9.905 -10.641 13.351 506 H GLY 63 H GLY 63 -5.660 -10.515 15.215 507 HA2 GLY 63 2HA GLY 63 -6.194 -11.535 17.842 508 HA3 GLY 63 1HA GLY 63 -5.452 -9.984 17.455 509 H ASN 64 H ASN 64 -6.841 -8.282 16.731 510 HA ASN 64 HA ASN 64 -9.649 -8.676 17.093 511 HB2 ASN 64 2HB ASN 64 -9.875 -6.536 18.485 512 HB3 ASN 64 1HB ASN 64 -9.235 -7.939 19.309 513 HD21 ASN 64 1HD2 ASN 64 -7.573 -5.533 17.235 514 HD22 ASN 64 2HD2 ASN 64 -6.464 -5.038 18.451 515 H LEU 65 H LEU 65 -9.483 -8.656 14.885 516 HA LEU 65 HA LEU 65 -9.148 -6.001 13.742 517 HB2 LEU 65 2HB LEU 65 -8.926 -8.701 12.412 518 HB3 LEU 65 1HB LEU 65 -8.855 -7.175 11.562 519 HG LEU 65 HG LEU 65 -6.890 -8.119 13.645 520 HD11 LEU 65 1HD1 LEU 65 -6.680 -9.358 11.554 521 HD12 LEU 65 2HD1 LEU 65 -5.319 -8.272 11.763 522 HD13 LEU 65 3HD1 LEU 65 -6.623 -7.847 10.653 523 HD21 LEU 65 3HD2 LEU 65 -5.573 -6.175 12.940 524 HD22 LEU 65 1HD2 LEU 65 -7.108 -5.718 13.680 525 HD23 LEU 65 2HD2 LEU 65 -6.922 -5.654 11.928 526 HA PRO 66 HA PRO 66 -13.463 -6.013 12.672 527 HB2 PRO 66 2HB PRO 66 -12.791 -4.391 10.316 528 HB3 PRO 66 1HB PRO 66 -13.744 -3.942 11.731 529 HG2 PRO 66 2HG PRO 66 -11.309 -2.912 11.282 530 HG3 PRO 66 1HG PRO 66 -11.897 -3.244 12.920 531 HD2 PRO 66 2HD PRO 66 -10.022 -4.843 11.225 532 HD3 PRO 66 1HD PRO 66 -9.940 -4.446 12.956 533 H GLN 67 H GLN 67 -14.762 -7.155 11.382 534 HA GLN 67 HA GLN 67 -13.942 -9.405 10.062 535 HB2 GLN 67 2HB GLN 67 -16.482 -7.835 9.700 536 HB3 GLN 67 1HB GLN 67 -16.226 -9.427 9.005 537 HG2 GLN 67 2HG GLN 67 -16.063 -8.831 11.949 538 HG3 GLN 67 1HG GLN 67 -17.515 -9.417 11.138 539 HE21 GLN 67 1HE2 GLN 67 -17.560 -11.499 10.365 540 HE22 GLN 67 2HE2 GLN 67 -16.473 -12.716 10.874 541 H TYR 68 H TYR 68 -14.749 -6.340 8.532 542 HA TYR 68 HA TYR 68 -14.462 -7.274 5.925 543 HB2 TYR 68 2HB TYR 68 -14.195 -4.754 5.334 544 HB3 TYR 68 1HB TYR 68 -15.712 -5.339 5.978 545 HD1 TYR 68 2HD TYR 68 -12.591 -3.538 6.929 546 HD2 TYR 68 1HD TYR 68 -16.630 -4.413 7.922 547 HE1 TYR 68 2HE TYR 68 -12.529 -1.810 8.663 548 HE2 TYR 68 1HE TYR 68 -16.581 -2.691 9.664 549 HH TYR 68 HH TYR 68 -13.967 -0.439 9.976 550 H GLU 69 H GLU 69 -11.944 -6.110 8.092 551 HA GLU 69 HA GLU 69 -10.122 -6.107 5.836 552 HB2 GLU 69 2HB GLU 69 -9.509 -5.489 8.735 553 HB3 GLU 69 1HB GLU 69 -8.386 -5.319 7.391 554 HG2 GLU 69 2HG GLU 69 -10.270 -3.788 6.409 555 HG3 GLU 69 1HG GLU 69 -10.764 -3.688 8.088 556 H SER 70 H SER 70 -11.008 -8.058 8.539 557 HA SER 70 HA SER 70 -8.908 -9.874 8.423 558 HB2 SER 70 2HB SER 70 -11.805 -10.358 9.116 559 HB3 SER 70 1HB SER 70 -10.435 -11.361 9.604 560 HG SER 70 HG SER 70 -11.034 -9.925 11.233 561 H GLU 71 H GLU 71 -11.962 -9.648 6.600 562 HA GLU 71 HA GLU 71 -11.683 -12.027 5.140 563 HB2 GLU 71 2HB GLU 71 -13.809 -10.753 5.178 564 HB3 GLU 71 1HB GLU 71 -13.052 -9.448 4.278 565 HG2 GLU 71 2HG GLU 71 -12.792 -10.873 2.344 566 HG3 GLU 71 1HG GLU 71 -13.386 -12.259 3.246 567 H ALA 72 H ALA 72 -10.477 -8.771 4.568 568 HA ALA 72 HA ALA 72 -9.337 -9.171 2.032 569 HB1 ALA 72 1HB ALA 72 -8.378 -7.326 4.223 570 HB2 ALA 72 2HB ALA 72 -9.639 -6.952 3.051 571 HB3 ALA 72 3HB ALA 72 -7.979 -7.200 2.509 572 H ILE 73 H ILE 73 -7.859 -9.486 5.241 573 HA ILE 73 HA ILE 73 -5.343 -10.386 4.388 574 HB ILE 73 HB ILE 73 -6.797 -11.106 6.954 575 HG12 ILE 73 2HG1 ILE 73 -4.742 -8.962 6.372 576 HG13 ILE 73 1HG1 ILE 73 -6.452 -8.692 6.690 577 HG21 ILE 73 1HG2 ILE 73 -4.576 -11.654 7.867 578 HG22 ILE 73 2HG2 ILE 73 -3.866 -11.372 6.278 579 HG23 ILE 73 3HG2 ILE 73 -5.005 -12.699 6.511 580 HD11 ILE 73 3HD1 ILE 73 -5.066 -8.201 8.637 581 HD12 ILE 73 1HD1 ILE 73 -4.463 -9.856 8.620 582 HD13 ILE 73 2HD1 ILE 73 -6.168 -9.540 8.952 583 H MET 74 H MET 74 -8.263 -12.219 5.165 584 HA MET 74 HA MET 74 -7.082 -14.754 4.861 585 HB2 MET 74 2HB MET 74 -9.986 -13.976 4.616 586 HB3 MET 74 1HB MET 74 -9.420 -15.631 4.629 587 HG2 MET 74 2HG MET 74 -8.911 -13.729 6.908 588 HG3 MET 74 1HG MET 74 -10.376 -14.676 6.794 589 HE1 MET 74 3HE MET 74 -6.457 -15.985 6.132 590 HE2 MET 74 1HE MET 74 -6.147 -16.332 7.813 591 HE3 MET 74 2HE MET 74 -6.482 -14.667 7.311 592 H VAL 75 H VAL 75 -8.842 -12.777 2.508 593 HA VAL 75 HA VAL 75 -8.652 -14.682 0.423 594 HB VAL 75 HB VAL 75 -9.042 -11.665 0.269 595 HG11 VAL 75 1HG1 VAL 75 -9.807 -12.011 -2.039 596 HG12 VAL 75 2HG1 VAL 75 -9.371 -13.719 -1.932 597 HG13 VAL 75 3HG1 VAL 75 -8.115 -12.485 -1.860 598 HG21 VAL 75 3HG2 VAL 75 -10.847 -12.846 1.378 599 HG22 VAL 75 1HG2 VAL 75 -10.963 -13.974 0.027 600 HG23 VAL 75 2HG2 VAL 75 -11.383 -12.286 -0.210 601 H ALA 76 H ALA 76 -6.526 -12.062 1.436 602 HA ALA 76 HA ALA 76 -4.688 -12.238 -0.684 603 HB1 ALA 76 1HB ALA 76 -4.740 -10.373 0.887 604 HB2 ALA 76 2HB ALA 76 -3.128 -11.086 0.799 605 HB3 ALA 76 3HB ALA 76 -4.176 -11.430 2.178 606 H PHE 77 H PHE 77 -5.005 -14.009 2.297 607 HA PHE 77 HA PHE 77 -2.572 -15.438 2.083 608 HB2 PHE 77 2HB PHE 77 -3.812 -15.159 4.213 609 HB3 PHE 77 1HB PHE 77 -5.101 -16.174 3.584 610 HD1 PHE 77 1HD PHE 77 -1.572 -16.132 4.628 611 HD2 PHE 77 2HD PHE 77 -4.942 -18.535 3.675 612 HE1 PHE 77 1HE PHE 77 -0.407 -18.109 5.516 613 HE2 PHE 77 2HE PHE 77 -3.794 -20.511 4.555 614 HZ PHE 77 HZ PHE 77 -1.515 -20.304 5.479 615 H GLU 78 H GLU 78 -5.887 -16.091 1.008 616 HA GLU 78 HA GLU 78 -5.635 -18.725 0.140 617 HB2 GLU 78 2HB GLU 78 -7.323 -16.473 -0.945 618 HB3 GLU 78 1HB GLU 78 -7.504 -18.159 -1.388 619 HG2 GLU 78 2HG GLU 78 -7.828 -17.029 1.361 620 HG3 GLU 78 1HG GLU 78 -9.149 -17.413 0.261 621 H LEU 79 H LEU 79 -5.213 -15.704 -1.587 622 HA LEU 79 HA LEU 79 -4.518 -17.023 -4.060 623 HB2 LEU 79 2HB LEU 79 -4.454 -14.108 -3.319 624 HB3 LEU 79 1HB LEU 79 -4.288 -14.756 -4.937 625 HG LEU 79 HG LEU 79 -6.764 -14.895 -3.217 626 HD11 LEU 79 1HD1 LEU 79 -6.327 -12.658 -4.047 627 HD12 LEU 79 2HD1 LEU 79 -7.716 -13.368 -4.869 628 HD13 LEU 79 3HD1 LEU 79 -6.156 -13.286 -5.687 629 HD21 LEU 79 3HD2 LEU 79 -7.847 -15.765 -5.259 630 HD22 LEU 79 1HD2 LEU 79 -6.605 -16.851 -4.627 631 HD23 LEU 79 2HD2 LEU 79 -6.258 -15.840 -6.031 632 H ASN 80 H ASN 80 -2.880 -15.996 -1.300 633 HA ASN 80 HA ASN 80 -0.780 -15.539 -0.693 634 HB2 ASN 80 2HB ASN 80 -0.296 -17.797 -1.721 635 HB3 ASN 80 1HB ASN 80 0.070 -16.989 -3.240 636 HD21 ASN 80 1HD2 ASN 80 0.956 -15.916 -0.006 637 HD22 ASN 80 2HD2 ASN 80 2.659 -16.015 -0.251 638 H ALA 81 H ALA 81 -1.844 -13.568 -1.396 639 HA ALA 81 HA ALA 81 -0.692 -12.260 -3.744 640 HB1 ALA 81 1HB ALA 81 -3.133 -12.383 -3.577 641 HB2 ALA 81 2HB ALA 81 -2.544 -10.721 -3.544 642 HB3 ALA 81 3HB ALA 81 -3.058 -11.503 -2.053 643 H LEU 82 H LEU 82 -0.625 -9.826 -3.391 644 HA LEU 82 HA LEU 82 1.115 -9.227 -1.137 645 HB2 LEU 82 2HB LEU 82 1.541 -8.651 -3.628 646 HB3 LEU 82 1HB LEU 82 0.223 -7.521 -3.492 647 HG LEU 82 HG LEU 82 2.420 -6.443 -3.454 648 HD11 LEU 82 1HD1 LEU 82 0.960 -6.180 -0.854 649 HD12 LEU 82 2HD1 LEU 82 0.634 -5.292 -2.348 650 HD13 LEU 82 3HD1 LEU 82 2.160 -5.057 -1.488 651 HD21 LEU 82 3HD2 LEU 82 2.860 -7.957 -0.894 652 HD22 LEU 82 1HD2 LEU 82 3.910 -6.697 -1.538 653 HD23 LEU 82 2HD2 LEU 82 3.705 -8.211 -2.421 654 H LEU 83 H LEU 83 0.268 -7.879 0.554 655 HA LEU 83 HA LEU 83 -2.563 -7.206 0.158 656 HB2 LEU 83 2HB LEU 83 -2.128 -8.856 1.962 657 HB3 LEU 83 1HB LEU 83 -1.150 -7.663 2.790 658 HG LEU 83 HG LEU 83 -3.198 -6.198 2.905 659 HD11 LEU 83 1HD1 LEU 83 -5.369 -7.266 2.655 660 HD12 LEU 83 2HD1 LEU 83 -4.582 -8.713 2.039 661 HD13 LEU 83 3HD1 LEU 83 -4.489 -7.200 1.130 662 HD21 LEU 83 3HD2 LEU 83 -2.447 -7.471 4.833 663 HD22 LEU 83 1HD2 LEU 83 -3.354 -8.875 4.271 664 HD23 LEU 83 2HD2 LEU 83 -4.210 -7.413 4.760 665 H ILE 84 H ILE 84 -3.148 -5.184 0.216 666 HA ILE 84 HA ILE 84 -1.166 -3.183 1.038 667 HB ILE 84 HB ILE 84 -3.622 -2.813 -0.710 668 HG12 ILE 84 2HG1 ILE 84 -0.713 -3.050 -1.557 669 HG13 ILE 84 1HG1 ILE 84 -1.930 -4.295 -1.765 670 HG21 ILE 84 1HG2 ILE 84 -1.255 -1.006 -0.163 671 HG22 ILE 84 2HG2 ILE 84 -2.892 -0.779 0.451 672 HG23 ILE 84 3HG2 ILE 84 -2.572 -0.659 -1.284 673 HD11 ILE 84 3HD1 ILE 84 -3.177 -2.857 -3.261 674 HD12 ILE 84 1HD1 ILE 84 -1.517 -3.062 -3.822 675 HD13 ILE 84 2HD1 ILE 84 -2.007 -1.563 -3.019 676 H ALA 85 H ALA 85 -1.571 -2.433 3.020 677 HA ALA 85 HA ALA 85 -4.310 -1.855 3.814 678 HB1 ALA 85 1HB ALA 85 -2.447 -3.579 5.450 679 HB2 ALA 85 2HB ALA 85 -3.912 -4.130 4.636 680 HB3 ALA 85 3HB ALA 85 -4.022 -2.981 5.970 681 H GLU 86 H GLU 86 -4.401 -0.224 5.343 682 HA GLU 86 HA GLU 86 -1.881 1.241 5.677 683 HB2 GLU 86 2HB GLU 86 -4.770 2.063 5.899 684 HB3 GLU 86 1HB GLU 86 -3.449 3.095 6.423 685 HG2 GLU 86 2HG GLU 86 -3.530 1.999 3.645 686 HG3 GLU 86 1HG GLU 86 -4.455 3.432 4.088 687 H ASP 87 H ASP 87 -4.243 -0.565 7.408 688 HA ASP 87 HA ASP 87 -3.595 0.605 9.948 689 HB2 ASP 87 2HB ASP 87 -5.845 -0.342 9.531 690 HB3 ASP 87 1HB ASP 87 -5.122 -1.946 9.431 691 H LYS 88 H LYS 88 -2.093 0.096 11.266 692 HA LYS 88 HA LYS 88 0.113 -1.380 10.429 693 HB2 LYS 88 2HB LYS 88 0.063 0.559 12.006 694 HB3 LYS 88 1HB LYS 88 -0.526 -0.535 13.241 695 HG2 LYS 88 2HG LYS 88 1.541 -1.873 12.973 696 HG3 LYS 88 1HG LYS 88 2.140 -0.645 11.854 697 HD2 LYS 88 2HD LYS 88 1.800 1.049 13.655 698 HD3 LYS 88 1HD LYS 88 1.425 -0.272 14.757 699 HE2 LYS 88 2HE LYS 88 3.708 0.283 15.082 700 HE3 LYS 88 1HE LYS 88 3.666 -1.241 14.196 701 HZ1 LYS 88 3HZ LYS 88 4.053 1.426 12.981 702 HZ2 LYS 88 1HZ LYS 88 4.138 -0.020 12.139 703 HZ3 LYS 88 2HZ LYS 88 5.302 0.387 13.307 704 H ASP 89 H ASP 89 -2.525 -2.311 12.622 705 HA ASP 89 HA ASP 89 -1.116 -4.699 13.417 706 HB2 ASP 89 2HB ASP 89 -2.667 -3.558 14.983 707 HB3 ASP 89 1HB ASP 89 -4.003 -3.965 13.912 708 H VAL 90 H VAL 90 -3.576 -3.849 11.112 709 HA VAL 90 HA VAL 90 -4.254 -6.458 10.233 710 HB VAL 90 HB VAL 90 -4.183 -3.844 8.647 711 HG11 VAL 90 1HG1 VAL 90 -4.095 -5.821 7.147 712 HG12 VAL 90 2HG1 VAL 90 -5.596 -4.912 6.993 713 HG13 VAL 90 3HG1 VAL 90 -5.581 -6.420 7.894 714 HG21 VAL 90 3HG2 VAL 90 -5.737 -3.857 10.535 715 HG22 VAL 90 1HG2 VAL 90 -6.479 -5.326 9.906 716 HG23 VAL 90 2HG2 VAL 90 -6.598 -3.824 8.991 717 H ILE 91 H ILE 91 -1.790 -4.158 9.180 718 HA ILE 91 HA ILE 91 -0.475 -5.673 7.242 719 HB ILE 91 HB ILE 91 0.656 -3.627 9.177 720 HG12 ILE 91 2HG1 ILE 91 -0.142 -3.307 6.280 721 HG13 ILE 91 1HG1 ILE 91 -1.146 -2.840 7.649 722 HG21 ILE 91 1HG2 ILE 91 2.541 -3.372 7.624 723 HG22 ILE 91 2HG2 ILE 91 1.920 -4.705 6.656 724 HG23 ILE 91 3HG2 ILE 91 2.470 -4.998 8.306 725 HD11 ILE 91 3HD1 ILE 91 0.010 -0.933 6.674 726 HD12 ILE 91 1HD1 ILE 91 1.563 -1.708 6.992 727 HD13 ILE 91 2HD1 ILE 91 0.528 -1.220 8.335 728 H ASN 92 H ASN 92 0.159 -5.372 10.703 729 HA ASN 92 HA ASN 92 2.351 -7.048 10.937 730 HB2 ASN 92 2HB ASN 92 1.661 -5.584 12.753 731 HB3 ASN 92 1HB ASN 92 0.175 -6.501 12.962 732 HD21 ASN 92 1HD2 ASN 92 0.228 -8.417 14.138 733 HD22 ASN 92 2HD2 ASN 92 1.628 -8.964 14.973 734 H LYS 93 H LYS 93 -1.088 -7.895 11.260 735 HA LYS 93 HA LYS 93 -0.601 -10.553 12.030 736 HB2 LYS 93 2HB LYS 93 -2.768 -9.031 12.156 737 HB3 LYS 93 1HB LYS 93 -3.122 -9.773 10.608 738 HG2 LYS 93 2HG LYS 93 -2.654 -11.259 13.194 739 HG3 LYS 93 1HG LYS 93 -4.219 -10.933 12.451 740 HD2 LYS 93 2HD LYS 93 -3.786 -12.399 10.670 741 HD3 LYS 93 1HD LYS 93 -2.056 -12.407 10.999 742 HE2 LYS 93 2HE LYS 93 -4.215 -13.624 12.690 743 HE3 LYS 93 1HE LYS 93 -3.078 -14.485 11.662 744 HZ1 LYS 93 3HZ LYS 93 -2.103 -14.639 13.762 745 HZ2 LYS 93 1HZ LYS 93 -2.584 -13.093 14.213 746 HZ3 LYS 93 2HZ LYS 93 -1.311 -13.267 13.158 747 H ALA 94 H ALA 94 -1.347 -9.089 8.878 748 HA ALA 94 HA ALA 94 -1.434 -11.516 7.450 749 HB1 ALA 94 1HB ALA 94 -0.747 -8.758 6.492 750 HB2 ALA 94 2HB ALA 94 -2.367 -9.451 6.577 751 HB3 ALA 94 3HB ALA 94 -1.177 -10.115 5.454 752 H LYS 95 H LYS 95 1.163 -9.329 8.292 753 HA LYS 95 HA LYS 95 3.220 -10.303 6.691 754 HB2 LYS 95 2HB LYS 95 3.232 -8.236 8.174 755 HB3 LYS 95 1HB LYS 95 3.488 -9.303 9.535 756 HG2 LYS 95 2HG LYS 95 5.611 -8.473 9.016 757 HG3 LYS 95 1HG LYS 95 5.584 -10.099 8.340 758 HD2 LYS 95 2HD LYS 95 6.633 -8.578 6.763 759 HD3 LYS 95 1HD LYS 95 5.086 -9.112 6.108 760 HE2 LYS 95 2HE LYS 95 4.047 -7.014 6.709 761 HE3 LYS 95 1HE LYS 95 5.485 -6.510 7.589 762 HZ1 LYS 95 3HZ LYS 95 5.304 -5.457 5.425 763 HZ2 LYS 95 1HZ LYS 95 5.388 -6.935 4.620 764 HZ3 LYS 95 2HZ LYS 95 6.686 -6.380 5.526 765 H GLU 96 H GLU 96 2.058 -11.331 9.870 766 HA GLU 96 HA GLU 96 3.938 -13.307 10.547 767 HB2 GLU 96 2HB GLU 96 0.987 -13.372 11.137 768 HB3 GLU 96 1HB GLU 96 2.250 -14.228 11.991 769 HG2 GLU 96 2HG GLU 96 3.122 -12.126 12.822 770 HG3 GLU 96 1HG GLU 96 1.871 -11.253 11.926 771 H LEU 97 H LEU 97 1.079 -13.410 8.534 772 HA LEU 97 HA LEU 97 1.007 -16.281 8.340 773 HB2 LEU 97 2HB LEU 97 -0.438 -14.211 6.691 774 HB3 LEU 97 1HB LEU 97 -0.784 -15.929 6.716 775 HG LEU 97 HG LEU 97 -1.167 -14.010 9.014 776 HD11 LEU 97 1HD1 LEU 97 -3.150 -15.459 7.277 777 HD12 LEU 97 2HD1 LEU 97 -2.811 -13.728 7.256 778 HD13 LEU 97 3HD1 LEU 97 -3.539 -14.467 8.681 779 HD21 LEU 97 3HD2 LEU 97 -2.239 -15.912 10.150 780 HD22 LEU 97 1HD2 LEU 97 -0.531 -16.212 9.838 781 HD23 LEU 97 2HD2 LEU 97 -1.758 -16.962 8.819 782 H GLY 98 H GLY 98 2.991 -14.045 6.987 783 HA2 GLY 98 2HA GLY 98 4.707 -14.488 5.511 784 HA3 GLY 98 1HA GLY 98 3.847 -15.913 4.906 785 H VAL 99 H VAL 99 1.913 -13.276 5.208 786 HA VAL 99 HA VAL 99 1.890 -12.836 2.319 787 HB VAL 99 HB VAL 99 -0.004 -11.815 4.471 788 HG11 VAL 99 1HG1 VAL 99 -0.282 -11.765 1.468 789 HG12 VAL 99 2HG1 VAL 99 0.006 -10.377 2.512 790 HG13 VAL 99 3HG1 VAL 99 -1.517 -11.260 2.623 791 HG21 VAL 99 3HG2 VAL 99 -0.378 -14.106 2.542 792 HG22 VAL 99 1HG2 VAL 99 -1.605 -13.479 3.643 793 HG23 VAL 99 2HG2 VAL 99 -0.148 -14.238 4.284 794 H ASN 100 H ASN 100 2.833 -11.001 1.529 795 HA ASN 100 HA ASN 100 3.947 -9.262 3.513 796 HB2 ASN 100 2HB ASN 100 5.329 -9.836 1.550 797 HB3 ASN 100 1HB ASN 100 4.174 -8.999 0.513 798 HD21 ASN 100 1HD2 ASN 100 5.759 -7.505 -0.140 799 HD22 ASN 100 2HD2 ASN 100 6.281 -6.232 0.894 800 H ALA 101 H ALA 101 2.457 -8.189 4.441 801 HA ALA 101 HA ALA 101 0.637 -6.570 2.883 802 HB1 ALA 101 1HB ALA 101 0.960 -6.865 5.869 803 HB2 ALA 101 2HB ALA 101 -0.233 -7.684 4.854 804 HB3 ALA 101 3HB ALA 101 -0.300 -5.933 5.055 805 H ILE 102 H ILE 102 1.044 -4.567 2.431 806 HA ILE 102 HA ILE 102 2.994 -3.154 4.012 807 HB ILE 102 HB ILE 102 3.840 -2.067 1.850 808 HG12 ILE 102 2HG1 ILE 102 3.858 -3.705 -0.137 809 HG13 ILE 102 1HG1 ILE 102 2.508 -4.491 0.660 810 HG21 ILE 102 1HG2 ILE 102 4.586 -4.906 2.440 811 HG22 ILE 102 2HG2 ILE 102 5.289 -3.437 3.125 812 HG23 ILE 102 3HG2 ILE 102 5.516 -3.810 1.421 813 HD11 ILE 102 3HD1 ILE 102 2.598 -1.653 -0.310 814 HD12 ILE 102 1HD1 ILE 102 1.236 -2.404 0.523 815 HD13 ILE 102 2HD1 ILE 102 1.731 -2.995 -1.063 816 HA PRO 103 HA PRO 103 0.000 0.054 3.859 817 HB2 PRO 103 2HB PRO 103 1.633 2.169 4.316 818 HB3 PRO 103 1HB PRO 103 1.103 1.079 5.610 819 HG2 PRO 103 2HG PRO 103 3.674 1.188 4.115 820 HG3 PRO 103 1HG PRO 103 3.399 0.850 5.833 821 HD2 PRO 103 2HD PRO 103 3.910 -1.086 4.019 822 HD3 PRO 103 1HD PRO 103 2.895 -1.355 5.446 823 H ILE 104 H ILE 104 -0.370 2.152 2.734 824 HA ILE 104 HA ILE 104 -0.022 1.743 -0.002 825 HB ILE 104 HB ILE 104 -1.072 4.067 1.572 826 HG12 ILE 104 2HG1 ILE 104 -2.365 1.989 -0.194 827 HG13 ILE 104 1HG1 ILE 104 -2.349 1.994 1.562 828 HG21 ILE 104 1HG2 ILE 104 -0.833 3.870 -1.423 829 HG22 ILE 104 2HG2 ILE 104 -0.256 5.170 -0.377 830 HG23 ILE 104 3HG2 ILE 104 -1.987 4.928 -0.627 831 HD11 ILE 104 3HD1 ILE 104 -3.633 4.038 -0.200 832 HD12 ILE 104 1HD1 ILE 104 -3.659 4.027 1.560 833 HD13 ILE 104 2HD1 ILE 104 -4.474 2.745 0.663 834 H GLU 105 H GLU 105 1.704 3.873 2.182 835 HA GLU 105 HA GLU 105 3.054 5.142 0.078 836 HB2 GLU 105 2HB GLU 105 3.609 5.061 3.025 837 HB3 GLU 105 1HB GLU 105 4.722 5.843 1.907 838 HG2 GLU 105 2HG GLU 105 3.258 7.489 2.905 839 HG3 GLU 105 1HG GLU 105 2.937 7.361 1.185 840 H GLU 106 H GLU 106 3.737 2.145 1.731 841 HA GLU 106 HA GLU 106 6.325 1.885 0.523 842 HB2 GLU 106 2HB GLU 106 4.536 -0.141 1.861 843 HB3 GLU 106 1HB GLU 106 6.017 -0.629 1.052 844 HG2 GLU 106 2HG GLU 106 7.226 0.966 2.597 845 HG3 GLU 106 1HG GLU 106 5.714 1.114 3.488 846 H LEU 107 H LEU 107 3.060 1.083 -0.368 847 HA LEU 107 HA LEU 107 3.729 -0.495 -2.634 848 HB2 LEU 107 2HB LEU 107 1.453 -0.394 -1.457 849 HB3 LEU 107 1HB LEU 107 1.215 1.153 -2.217 850 HG LEU 107 HG LEU 107 -0.021 -0.765 -3.264 851 HD11 LEU 107 1HD1 LEU 107 0.314 1.245 -4.538 852 HD12 LEU 107 2HD1 LEU 107 0.435 -0.173 -5.582 853 HD13 LEU 107 3HD1 LEU 107 1.893 0.670 -5.062 854 HD21 LEU 107 3HD2 LEU 107 2.719 -1.620 -4.180 855 HD22 LEU 107 1HD2 LEU 107 1.189 -2.293 -4.733 856 HD23 LEU 107 2HD2 LEU 107 1.675 -2.496 -3.055 857 H LEU 108 H LEU 108 3.271 2.929 -2.074 858 HA LEU 108 HA LEU 108 3.492 3.799 -4.755 859 HB2 LEU 108 2HB LEU 108 4.286 5.247 -2.225 860 HB3 LEU 108 1HB LEU 108 4.103 5.994 -3.797 861 HG LEU 108 HG LEU 108 1.890 4.735 -2.174 862 HD11 LEU 108 1HD1 LEU 108 2.514 7.616 -2.765 863 HD12 LEU 108 2HD1 LEU 108 2.682 6.808 -1.206 864 HD13 LEU 108 3HD1 LEU 108 1.081 7.021 -1.924 865 HD21 LEU 108 3HD2 LEU 108 1.786 6.228 -4.798 866 HD22 LEU 108 1HD2 LEU 108 0.389 5.694 -3.864 867 HD23 LEU 108 2HD2 LEU 108 1.481 4.506 -4.571 868 H ALA 109 H ALA 109 5.889 3.241 -2.228 869 HA ALA 109 HA ALA 109 8.122 4.032 -3.777 870 HB1 ALA 109 1HB ALA 109 8.161 3.916 -1.317 871 HB2 ALA 109 2HB ALA 109 9.466 2.982 -2.044 872 HB3 ALA 109 3HB ALA 109 8.038 2.159 -1.410 873 H SER 110 H SER 110 6.285 1.131 -3.580 874 HA SER 110 HA SER 110 8.109 -0.692 -4.723 875 HB2 SER 110 2HB SER 110 6.098 -1.372 -3.456 876 HB3 SER 110 1HB SER 110 5.079 -0.705 -4.723 877 HG SER 110 HG SER 110 6.060 -3.111 -4.527 878 H SER 111 H SER 111 6.409 1.922 -6.081 879 HA SER 111 HA SER 111 6.926 0.888 -8.760 880 HB2 SER 111 2HB SER 111 4.531 1.269 -8.295 881 HB3 SER 111 1HB SER 111 4.884 2.952 -7.920 882 HG SER 111 HG SER 111 4.335 3.063 -9.961 883 H LEU 112 H LEU 112 8.895 1.617 -9.054 884 HA LEU 112 HA LEU 112 10.622 2.941 -9.478 885 HB2 LEU 112 2HB LEU 112 8.475 4.926 -10.191 886 HB3 LEU 112 1HB LEU 112 10.168 5.080 -10.608 887 HG LEU 112 HG LEU 112 8.330 2.887 -11.579 888 HD11 LEU 112 1HD1 LEU 112 7.759 5.045 -12.542 889 HD12 LEU 112 2HD1 LEU 112 8.502 3.991 -13.747 890 HD13 LEU 112 3HD1 LEU 112 9.441 5.292 -13.015 891 HD21 LEU 112 3HD2 LEU 112 11.188 3.550 -12.311 892 HD22 LEU 112 1HD2 LEU 112 10.183 2.337 -13.104 893 HD23 LEU 112 2HD2 LEU 112 10.645 2.126 -11.419 894 H GLU 113 H GLU 113 11.502 3.030 -7.460 895 HA GLU 113 HA GLU 113 11.029 5.170 -5.591 896 HB2 GLU 113 2HB GLU 113 13.475 3.419 -5.949 897 HB3 GLU 113 1HB GLU 113 13.115 4.412 -4.551 898 HG2 GLU 113 2HG GLU 113 11.256 3.006 -3.983 899 HG3 GLU 113 1HG GLU 113 11.473 2.070 -5.461 900 H HIS 114 H HIS 114 12.670 4.652 -8.455 901 HA HIS 114 HA HIS 114 13.756 5.890 -9.920 902 HB2 HIS 114 2HB HIS 114 12.646 7.963 -8.783 903 HB3 HIS 114 1HB HIS 114 14.171 8.141 -7.934 904 HD1 HIS 114 1HD HIS 114 12.518 8.764 -11.152 905 HD2 HIS 114 2HD HIS 114 16.367 8.853 -9.615 906 HE1 HIS 114 1HE HIS 114 13.882 10.027 -12.838 907 HE2 HIS 114 2HE HIS 114 16.131 10.295 -11.731 908 H HIS 115 H HIS 115 15.182 4.409 -9.929 909 HA HIS 115 HA HIS 115 17.189 3.599 -10.037 910 HB2 HIS 115 2HB HIS 115 18.033 5.691 -8.064 911 HB3 HIS 115 1HB HIS 115 19.072 4.298 -8.338 912 HD1 HIS 115 1HD HIS 115 20.111 4.065 -10.695 913 HD2 HIS 115 2HD HIS 115 18.002 7.576 -10.088 914 HE1 HIS 115 1HE HIS 115 20.783 5.586 -12.585 915 HE2 HIS 115 2HE HIS 115 19.747 7.783 -11.974 916 H HIS 116 H HIS 116 17.358 3.985 -6.555 917 HA HIS 116 HA HIS 116 16.172 1.470 -6.010 918 HB2 HIS 116 2HB HIS 116 18.428 0.850 -7.109 919 HB3 HIS 116 1HB HIS 116 19.195 1.569 -5.702 920 HD1 HIS 116 1HD HIS 116 19.349 0.121 -3.625 921 HD2 HIS 116 2HD HIS 116 16.994 -1.547 -6.598 922 HE1 HIS 116 1HE HIS 116 18.911 -2.232 -2.897 923 HE2 HIS 116 2HE HIS 116 17.141 -2.977 -4.461 924 H HIS 117 H HIS 117 15.146 2.607 -4.458 925 HA HIS 117 HA HIS 117 14.668 3.941 -2.740 926 HB2 HIS 117 2HB HIS 117 17.423 3.119 -1.775 927 HB3 HIS 117 1HB HIS 117 16.383 4.184 -0.836 928 HD1 HIS 117 1HD HIS 117 14.538 3.107 0.528 929 HD2 HIS 117 2HD HIS 117 16.393 0.452 -2.075 930 HE1 HIS 117 1HE HIS 117 13.634 0.856 1.106 931 HE2 HIS 117 2HE HIS 117 14.487 -0.610 -0.748 932 H HIS 118 H HIS 118 14.967 6.137 -1.838 933 HA HIS 118 HA HIS 118 16.912 7.705 -3.311 934 HB2 HIS 118 2HB HIS 118 14.930 7.347 -4.840 935 HB3 HIS 118 1HB HIS 118 13.948 8.200 -3.656 936 HD1 HIS 118 1HD HIS 118 13.861 10.714 -3.887 937 HD2 HIS 118 2HD HIS 118 16.949 9.003 -6.079 938 HE1 HIS 118 1HE HIS 118 14.871 12.579 -5.180 939 HE2 HIS 118 2HE HIS 118 16.901 11.566 -6.259 940 H HIS 119 H HIS 119 17.089 9.827 -2.482 941 HA HIS 119 HA HIS 119 15.515 10.408 -0.100 942 HB2 HIS 119 2HB HIS 119 18.465 10.928 -0.559 943 HB3 HIS 119 1HB HIS 119 17.536 11.738 0.693 944 HD1 HIS 119 1HD HIS 119 16.983 10.412 2.793 945 HD2 HIS 119 2HD HIS 119 18.975 8.200 -0.096 946 HE1 HIS 119 1HE HIS 119 17.650 8.284 3.916 947 HE2 HIS 119 2HE HIS 119 18.614 6.881 2.070 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -0.487 -11.525 -10.752 2 H2 MET 1 2HT MET 1 1.165 -11.857 -10.675 3 H3 MET 1 3HT MET 1 0.582 -10.248 -10.545 4 HA MET 1 HA MET 1 0.028 -12.401 -8.626 5 HB2 MET 1 2HB MET 1 2.392 -11.465 -8.583 6 HB3 MET 1 1HB MET 1 1.695 -9.880 -8.297 7 HG2 MET 1 2HG MET 1 0.720 -10.708 -6.194 8 HG3 MET 1 1HG MET 1 1.464 -12.278 -6.479 9 HE1 MET 1 2HE MET 1 3.645 -11.008 -3.539 10 HE2 MET 1 3HE MET 1 2.716 -12.352 -4.200 11 HE3 MET 1 1HE MET 1 1.902 -10.853 -3.753 12 H PHE 2 H PHE 2 -1.460 -11.810 -7.068 13 HA PHE 2 HA PHE 2 -3.171 -9.609 -7.820 14 HB2 PHE 2 2HB PHE 2 -3.471 -11.686 -5.636 15 HB3 PHE 2 1HB PHE 2 -4.691 -10.522 -6.117 16 HD1 PHE 2 2HD PHE 2 -5.462 -10.671 -8.612 17 HD2 PHE 2 1HD PHE 2 -3.489 -13.809 -6.525 18 HE1 PHE 2 2HE PHE 2 -6.351 -12.305 -10.224 19 HE2 PHE 2 1HE PHE 2 -4.367 -15.435 -8.123 20 HZ PHE 2 HZ PHE 2 -5.802 -14.689 -9.980 21 H ALA 3 H ALA 3 -3.680 -7.965 -6.414 22 HA ALA 3 HA ALA 3 -2.047 -7.699 -4.001 23 HB1 ALA 3 1HB ALA 3 -2.743 -5.501 -5.972 24 HB2 ALA 3 2HB ALA 3 -1.143 -6.190 -5.720 25 HB3 ALA 3 3HB ALA 3 -1.918 -5.267 -4.433 26 H VAL 4 H VAL 4 -3.417 -7.836 -2.395 27 HA VAL 4 HA VAL 4 -6.231 -7.237 -2.896 28 HB VAL 4 HB VAL 4 -4.987 -8.663 -0.518 29 HG11 VAL 4 1HG1 VAL 4 -7.134 -7.616 0.031 30 HG12 VAL 4 2HG1 VAL 4 -7.281 -9.373 0.003 31 HG13 VAL 4 3HG1 VAL 4 -7.886 -8.417 -1.349 32 HG21 VAL 4 3HG2 VAL 4 -6.464 -9.823 -2.879 33 HG22 VAL 4 1HG2 VAL 4 -5.845 -10.719 -1.498 34 HG23 VAL 4 2HG2 VAL 4 -4.724 -9.925 -2.611 35 H ILE 5 H ILE 5 -7.194 -5.595 -2.083 36 HA ILE 5 HA ILE 5 -5.671 -3.671 -0.516 37 HB ILE 5 HB ILE 5 -8.370 -3.382 -1.882 38 HG12 ILE 5 2HG1 ILE 5 -5.619 -2.523 -2.843 39 HG13 ILE 5 1HG1 ILE 5 -6.511 -3.904 -3.461 40 HG21 ILE 5 1HG2 ILE 5 -6.459 -1.292 -0.809 41 HG22 ILE 5 2HG2 ILE 5 -7.984 -1.769 -0.066 42 HG23 ILE 5 3HG2 ILE 5 -7.983 -0.977 -1.642 43 HD11 ILE 5 3HD1 ILE 5 -6.663 -1.990 -4.952 44 HD12 ILE 5 1HD1 ILE 5 -7.356 -1.026 -3.649 45 HD13 ILE 5 2HD1 ILE 5 -8.246 -2.405 -4.292 46 H SER 6 H SER 6 -6.003 -3.517 1.624 47 HA SER 6 HA SER 6 -8.294 -4.813 2.814 48 HB2 SER 6 2HB SER 6 -6.037 -3.269 4.131 49 HB3 SER 6 1HB SER 6 -7.186 -4.341 4.933 50 HG SER 6 HG SER 6 -5.815 -5.392 2.797 51 HA PRO 7 HA PRO 7 -10.820 -1.165 3.005 52 HB2 PRO 7 2HB PRO 7 -11.516 -1.968 5.782 53 HB3 PRO 7 1HB PRO 7 -12.578 -1.638 4.404 54 HG2 PRO 7 2HG PRO 7 -12.147 -4.137 5.131 55 HG3 PRO 7 1HG PRO 7 -12.136 -3.711 3.408 56 HD2 PRO 7 2HD PRO 7 -9.827 -4.153 5.270 57 HD3 PRO 7 1HD PRO 7 -10.090 -4.782 3.625 58 H SER 8 H SER 8 -8.482 -1.636 5.545 59 HA SER 8 HA SER 8 -8.609 0.979 6.588 60 HB2 SER 8 2HB SER 8 -6.173 0.417 7.269 61 HB3 SER 8 1HB SER 8 -7.462 -0.560 7.953 62 HG SER 8 HG SER 8 -6.888 -2.225 6.776 63 H ALA 9 H ALA 9 -7.474 -0.223 3.620 64 HA ALA 9 HA ALA 9 -5.722 2.061 3.113 65 HB1 ALA 9 1HB ALA 9 -4.817 -0.150 2.640 66 HB2 ALA 9 2HB ALA 9 -5.039 0.715 1.117 67 HB3 ALA 9 3HB ALA 9 -6.193 -0.512 1.612 68 H PHE 10 H PHE 10 -8.828 1.826 3.098 69 HA PHE 10 HA PHE 10 -9.537 2.292 0.377 70 HB2 PHE 10 2HB PHE 10 -11.095 2.505 2.919 71 HB3 PHE 10 1HB PHE 10 -11.754 3.061 1.389 72 HD1 PHE 10 1HD PHE 10 -9.720 0.363 0.531 73 HD2 PHE 10 2HD PHE 10 -13.400 1.255 2.480 74 HE1 PHE 10 1HE PHE 10 -10.512 -1.892 0.052 75 HE2 PHE 10 2HE PHE 10 -14.191 -1.021 2.001 76 HZ PHE 10 HZ PHE 10 -12.749 -2.589 0.797 77 H GLY 11 H GLY 11 -10.531 4.069 -0.516 78 HA2 GLY 11 2HA GLY 11 -10.819 6.338 -0.899 79 HA3 GLY 11 1HA GLY 11 -9.935 6.679 0.585 80 H LYS 12 H LYS 12 -7.767 4.927 -0.089 81 HA LYS 12 HA LYS 12 -6.351 6.766 -1.844 82 HB2 LYS 12 2HB LYS 12 -5.353 4.833 0.215 83 HB3 LYS 12 1HB LYS 12 -4.357 5.957 -0.706 84 HG2 LYS 12 2HG LYS 12 -5.416 7.846 0.330 85 HG3 LYS 12 1HG LYS 12 -6.609 6.803 1.100 86 HD2 LYS 12 2HD LYS 12 -4.936 7.446 2.723 87 HD3 LYS 12 1HD LYS 12 -4.837 5.723 2.334 88 HE2 LYS 12 2HE LYS 12 -2.927 6.072 0.937 89 HE3 LYS 12 1HE LYS 12 -3.072 7.821 1.093 90 HZ1 LYS 12 3HZ LYS 12 -1.355 6.998 2.531 91 HZ2 LYS 12 1HZ LYS 12 -2.390 5.911 3.285 92 HZ3 LYS 12 2HZ LYS 12 -2.616 7.560 3.476 93 H LEU 13 H LEU 13 -7.951 4.096 -2.338 94 HA LEU 13 HA LEU 13 -6.250 2.184 -3.526 95 HB2 LEU 13 2HB LEU 13 -9.034 2.903 -4.520 96 HB3 LEU 13 1HB LEU 13 -8.144 1.467 -4.932 97 HG LEU 13 HG LEU 13 -8.330 0.882 -2.422 98 HD11 LEU 13 1HD1 LEU 13 -10.386 1.739 -1.404 99 HD12 LEU 13 2HD1 LEU 13 -10.488 2.949 -2.683 100 HD13 LEU 13 3HD1 LEU 13 -9.124 2.954 -1.557 101 HD21 LEU 13 3HD2 LEU 13 -10.495 -0.165 -2.800 102 HD22 LEU 13 1HD2 LEU 13 -9.451 -0.327 -4.210 103 HD23 LEU 13 2HD2 LEU 13 -10.753 0.862 -4.209 104 H LYS 14 H LYS 14 -7.497 5.174 -4.573 105 HA LYS 14 HA LYS 14 -7.143 5.053 -7.332 106 HB2 LYS 14 2HB LYS 14 -6.991 7.469 -5.531 107 HB3 LYS 14 1HB LYS 14 -7.347 7.470 -7.257 108 HG2 LYS 14 2HG LYS 14 -9.404 6.246 -6.877 109 HG3 LYS 14 1HG LYS 14 -9.044 6.118 -5.158 110 HD2 LYS 14 2HD LYS 14 -10.670 7.851 -5.492 111 HD3 LYS 14 1HD LYS 14 -9.155 8.606 -5.017 112 HE2 LYS 14 2HE LYS 14 -10.218 9.841 -6.811 113 HE3 LYS 14 1HE LYS 14 -8.700 9.139 -7.368 114 HZ1 LYS 14 3HZ LYS 14 -11.354 7.921 -7.767 115 HZ2 LYS 14 1HZ LYS 14 -9.927 7.409 -8.497 116 HZ3 LYS 14 2HZ LYS 14 -10.606 8.899 -8.934 117 H GLU 15 H GLU 15 -4.884 5.991 -4.737 118 HA GLU 15 HA GLU 15 -2.865 6.914 -6.499 119 HB2 GLU 15 2HB GLU 15 -2.726 6.071 -3.602 120 HB3 GLU 15 1HB GLU 15 -1.334 6.661 -4.495 121 HG2 GLU 15 2HG GLU 15 -2.536 8.774 -4.893 122 HG3 GLU 15 1HG GLU 15 -3.863 8.180 -3.900 123 H ILE 16 H ILE 16 -3.163 3.905 -4.631 124 HA ILE 16 HA ILE 16 -0.795 2.747 -5.627 125 HB ILE 16 HB ILE 16 -1.732 0.524 -4.930 126 HG12 ILE 16 2HG1 ILE 16 -4.144 2.192 -4.161 127 HG13 ILE 16 1HG1 ILE 16 -4.098 0.968 -5.421 128 HG21 ILE 16 1HG2 ILE 16 -0.493 1.966 -3.382 129 HG22 ILE 16 2HG2 ILE 16 -1.746 1.035 -2.556 130 HG23 ILE 16 3HG2 ILE 16 -2.020 2.739 -2.943 131 HD11 ILE 16 3HD1 ILE 16 -3.705 -0.740 -3.742 132 HD12 ILE 16 1HD1 ILE 16 -5.189 0.162 -3.422 133 HD13 ILE 16 2HD1 ILE 16 -3.739 0.497 -2.476 134 H LEU 17 H LEU 17 -4.015 2.672 -6.897 135 HA LEU 17 HA LEU 17 -3.516 0.715 -8.879 136 HB2 LEU 17 2HB LEU 17 -5.706 1.161 -7.958 137 HB3 LEU 17 1HB LEU 17 -5.655 2.793 -8.571 138 HG LEU 17 HG LEU 17 -5.833 1.975 -10.856 139 HD11 LEU 17 1HD1 LEU 17 -5.945 -0.775 -9.600 140 HD12 LEU 17 2HD1 LEU 17 -4.637 -0.162 -10.616 141 HD13 LEU 17 3HD1 LEU 17 -6.245 -0.401 -11.295 142 HD21 LEU 17 3HD2 LEU 17 -8.092 0.867 -10.558 143 HD22 LEU 17 1HD2 LEU 17 -7.863 2.449 -9.781 144 HD23 LEU 17 2HD2 LEU 17 -7.773 0.977 -8.832 145 H GLY 18 H GLY 18 -3.649 4.275 -8.912 146 HA2 GLY 18 2HA GLY 18 -3.220 4.331 -11.762 147 HA3 GLY 18 1HA GLY 18 -3.405 5.717 -10.710 148 H SER 19 H SER 19 -1.220 4.816 -8.919 149 HA SER 19 HA SER 19 0.860 5.989 -10.530 150 HB2 SER 19 2HB SER 19 0.859 5.242 -7.618 151 HB3 SER 19 1HB SER 19 2.045 6.261 -8.440 152 HG SER 19 HG SER 19 0.634 7.646 -7.567 153 H ASN 20 H ASN 20 0.030 2.819 -9.415 154 HA ASN 20 HA ASN 20 2.767 1.992 -10.115 155 HB2 ASN 20 2HB ASN 20 2.256 1.524 -7.767 156 HB3 ASN 20 1HB ASN 20 0.871 0.560 -8.255 157 HD21 ASN 20 1HD2 ASN 20 1.628 -1.320 -7.379 158 HD22 ASN 20 2HD2 ASN 20 2.993 -2.184 -8.001 159 H LYS 21 H LYS 21 -0.614 0.783 -10.186 160 HA LYS 21 HA LYS 21 -1.616 -0.811 -11.444 161 HB2 LYS 21 2HB LYS 21 0.507 -0.005 -13.499 162 HB3 LYS 21 1HB LYS 21 -0.931 -0.947 -13.868 163 HG2 LYS 21 2HG LYS 21 -2.340 0.960 -13.279 164 HG3 LYS 21 1HG LYS 21 -0.918 1.888 -12.845 165 HD2 LYS 21 2HD LYS 21 -1.579 2.661 -14.988 166 HD3 LYS 21 1HD LYS 21 -0.169 1.651 -15.255 167 HE2 LYS 21 2HE LYS 21 -3.000 0.639 -15.588 168 HE3 LYS 21 1HE LYS 21 -2.111 1.403 -16.894 169 HZ1 LYS 21 3HZ LYS 21 -0.479 -0.367 -16.775 170 HZ2 LYS 21 1HZ LYS 21 -2.014 -0.982 -17.020 171 HZ3 LYS 21 2HZ LYS 21 -1.312 -1.123 -15.508 172 H ASN 22 H ASN 22 0.103 -2.546 -13.397 173 HA ASN 22 HA ASN 22 1.659 -4.234 -13.442 174 HB2 ASN 22 2HB ASN 22 2.669 -2.974 -10.893 175 HB3 ASN 22 1HB ASN 22 3.445 -4.342 -11.677 176 HD21 ASN 22 1HD2 ASN 22 4.229 -1.488 -11.125 177 HD22 ASN 22 2HD2 ASN 22 4.776 -0.896 -12.637 178 H TYR 23 H TYR 23 -0.500 -4.030 -10.852 179 HA TYR 23 HA TYR 23 -0.184 -6.916 -10.353 180 HB2 TYR 23 2HB TYR 23 -0.858 -4.737 -8.366 181 HB3 TYR 23 1HB TYR 23 -1.100 -6.442 -8.054 182 HD1 TYR 23 2HD TYR 23 1.390 -3.756 -8.384 183 HD2 TYR 23 1HD TYR 23 0.785 -7.879 -7.535 184 HE1 TYR 23 2HE TYR 23 3.653 -3.886 -7.411 185 HE2 TYR 23 1HE TYR 23 3.031 -8.015 -6.555 186 HH TYR 23 HH TYR 23 5.160 -6.841 -6.666 187 H LYS 24 H LYS 24 -2.182 -7.991 -9.876 188 HA LYS 24 HA LYS 24 -4.497 -6.623 -10.984 189 HB2 LYS 24 2HB LYS 24 -4.046 -9.031 -11.580 190 HB3 LYS 24 1HB LYS 24 -4.241 -9.450 -9.888 191 HG2 LYS 24 2HG LYS 24 -6.307 -10.022 -10.721 192 HG3 LYS 24 1HG LYS 24 -6.610 -8.370 -10.211 193 HD2 LYS 24 2HD LYS 24 -5.941 -9.209 -13.046 194 HD3 LYS 24 1HD LYS 24 -7.570 -8.947 -12.448 195 HE2 LYS 24 2HE LYS 24 -6.974 -6.567 -12.016 196 HE3 LYS 24 1HE LYS 24 -5.374 -6.885 -12.690 197 HZ1 LYS 24 3HZ LYS 24 -7.934 -7.154 -14.167 198 HZ2 LYS 24 1HZ LYS 24 -6.406 -7.477 -14.782 199 HZ3 LYS 24 2HZ LYS 24 -6.819 -5.909 -14.367 200 H PHE 25 H PHE 25 -5.259 -5.234 -9.561 201 HA PHE 25 HA PHE 25 -5.008 -5.662 -6.766 202 HB2 PHE 25 2HB PHE 25 -6.414 -3.563 -8.386 203 HB3 PHE 25 1HB PHE 25 -6.349 -3.529 -6.621 204 HD1 PHE 25 1HD PHE 25 -4.465 -3.115 -9.735 205 HD2 PHE 25 2HD PHE 25 -4.273 -2.970 -5.490 206 HE1 PHE 25 1HE PHE 25 -2.310 -1.945 -9.877 207 HE2 PHE 25 2HE PHE 25 -2.115 -1.797 -5.629 208 HZ PHE 25 HZ PHE 25 -1.134 -1.281 -7.824 209 H VAL 26 H VAL 26 -6.334 -6.524 -5.459 210 HA VAL 26 HA VAL 26 -8.963 -7.388 -6.419 211 HB VAL 26 HB VAL 26 -7.090 -8.744 -4.464 212 HG11 VAL 26 1HG1 VAL 26 -8.722 -10.585 -4.454 213 HG12 VAL 26 2HG1 VAL 26 -9.804 -9.619 -5.456 214 HG13 VAL 26 3HG1 VAL 26 -9.415 -9.093 -3.820 215 HG21 VAL 26 3HG2 VAL 26 -6.970 -10.533 -6.136 216 HG22 VAL 26 1HG2 VAL 26 -6.355 -9.002 -6.758 217 HG23 VAL 26 2HG2 VAL 26 -7.960 -9.561 -7.226 218 H ILE 27 H ILE 27 -10.569 -6.639 -5.325 219 HA ILE 27 HA ILE 27 -10.108 -5.541 -2.659 220 HB ILE 27 HB ILE 27 -10.800 -4.110 -4.759 221 HG12 ILE 27 2HG1 ILE 27 -10.714 -3.074 -2.571 222 HG13 ILE 27 1HG1 ILE 27 -12.127 -2.509 -3.435 223 HG21 ILE 27 1HG2 ILE 27 -13.467 -5.261 -4.107 224 HG22 ILE 27 2HG2 ILE 27 -12.562 -5.387 -5.616 225 HG23 ILE 27 3HG2 ILE 27 -13.205 -3.829 -5.099 226 HD11 ILE 27 3HD1 ILE 27 -11.995 -4.441 -1.159 227 HD12 ILE 27 1HD1 ILE 27 -13.475 -4.114 -2.087 228 HD13 ILE 27 2HD1 ILE 27 -12.680 -2.817 -1.195 229 H THR 28 H THR 28 -11.718 -6.228 -1.084 230 HA THR 28 HA THR 28 -12.798 -8.813 -1.697 231 HB THR 28 HB THR 28 -13.367 -8.773 0.760 232 HG1 THR 28 1HG THR 28 -11.826 -6.959 1.668 233 HG21 THR 28 3HG2 THR 28 -10.491 -8.212 0.024 234 HG22 THR 28 1HG2 THR 28 -11.302 -9.774 -0.141 235 HG23 THR 28 2HG2 THR 28 -11.072 -9.073 1.458 236 H THR 29 H THR 29 -15.012 -9.437 -1.091 237 HA THR 29 HA THR 29 -16.967 -7.828 -2.163 238 HB THR 29 HB THR 29 -18.314 -9.554 -0.594 239 HG1 THR 29 1HG THR 29 -16.996 -11.036 0.175 240 HG21 THR 29 3HG2 THR 29 -16.856 -10.242 -3.160 241 HG22 THR 29 1HG2 THR 29 -18.396 -9.382 -3.063 242 HG23 THR 29 2HG2 THR 29 -18.292 -11.053 -2.522 243 H LEU 30 H LEU 30 -16.110 -8.437 1.245 244 HA LEU 30 HA LEU 30 -18.179 -6.805 2.268 245 HB2 LEU 30 2HB LEU 30 -15.529 -7.483 3.544 246 HB3 LEU 30 1HB LEU 30 -16.871 -6.717 4.368 247 HG LEU 30 HG LEU 30 -16.746 -9.539 3.316 248 HD11 LEU 30 1HD1 LEU 30 -16.974 -8.388 6.077 249 HD12 LEU 30 2HD1 LEU 30 -15.576 -9.220 5.390 250 HD13 LEU 30 3HD1 LEU 30 -17.084 -10.095 5.674 251 HD21 LEU 30 3HD2 LEU 30 -18.998 -9.819 4.253 252 HD22 LEU 30 1HD2 LEU 30 -18.995 -8.649 2.935 253 HD23 LEU 30 2HD2 LEU 30 -19.066 -8.093 4.607 254 H GLY 31 H GLY 31 -14.988 -6.187 1.101 255 HA2 GLY 31 2HA GLY 31 -14.619 -3.580 2.020 256 HA3 GLY 31 1HA GLY 31 -13.865 -4.313 0.608 257 H VAL 32 H VAL 32 -15.941 -4.749 -1.111 258 HA VAL 32 HA VAL 32 -16.409 -2.131 -2.036 259 HB VAL 32 HB VAL 32 -17.923 -3.039 -3.777 260 HG11 VAL 32 1HG1 VAL 32 -15.561 -3.007 -4.197 261 HG12 VAL 32 2HG1 VAL 32 -16.292 -4.434 -4.931 262 HG13 VAL 32 3HG1 VAL 32 -15.382 -4.583 -3.426 263 HG21 VAL 32 3HG2 VAL 32 -17.473 -5.707 -2.441 264 HG22 VAL 32 1HG2 VAL 32 -18.258 -5.468 -4.002 265 HG23 VAL 32 2HG2 VAL 32 -19.003 -4.839 -2.531 266 H SER 33 H SER 33 -18.538 -4.319 -0.283 267 HA SER 33 HA SER 33 -20.809 -2.687 -0.399 268 HB2 SER 33 2HB SER 33 -19.986 -4.621 1.775 269 HB3 SER 33 1HB SER 33 -21.628 -4.092 1.402 270 HG SER 33 HG SER 33 -21.173 -4.980 -0.765 271 H PHE 34 H PHE 34 -18.031 -2.768 1.781 272 HA PHE 34 HA PHE 34 -19.007 -0.902 3.650 273 HB2 PHE 34 2HB PHE 34 -17.128 -2.449 4.121 274 HB3 PHE 34 1HB PHE 34 -16.133 -1.580 2.962 275 HD1 PHE 34 2HD PHE 34 -18.050 -1.122 6.113 276 HD2 PHE 34 1HD PHE 34 -14.824 0.206 3.682 277 HE1 PHE 34 2HE PHE 34 -17.317 0.382 7.914 278 HE2 PHE 34 1HE PHE 34 -14.086 1.713 5.477 279 HZ PHE 34 HZ PHE 34 -15.335 1.802 7.595 280 H ALA 35 H ALA 35 -16.999 -0.629 0.759 281 HA ALA 35 HA ALA 35 -16.523 2.126 0.876 282 HB1 ALA 35 1HB ALA 35 -16.723 0.382 -1.581 283 HB2 ALA 35 2HB ALA 35 -15.276 0.610 -0.599 284 HB3 ALA 35 3HB ALA 35 -15.958 1.967 -1.495 285 H ILE 36 H ILE 36 -19.164 0.291 -0.514 286 HA ILE 36 HA ILE 36 -20.536 2.456 -1.684 287 HB ILE 36 HB ILE 36 -21.634 -0.158 -0.619 288 HG12 ILE 36 2HG1 ILE 36 -20.063 -0.476 -2.468 289 HG13 ILE 36 1HG1 ILE 36 -21.696 -0.863 -2.979 290 HG21 ILE 36 1HG2 ILE 36 -23.632 0.270 -1.975 291 HG22 ILE 36 2HG2 ILE 36 -23.013 1.875 -2.360 292 HG23 ILE 36 3HG2 ILE 36 -23.418 1.464 -0.693 293 HD11 ILE 36 3HD1 ILE 36 -20.523 0.326 -4.717 294 HD12 ILE 36 1HD1 ILE 36 -20.170 1.657 -3.615 295 HD13 ILE 36 2HD1 ILE 36 -21.834 1.328 -4.093 296 H LYS 37 H LYS 37 -20.977 0.927 1.505 297 HA LYS 37 HA LYS 37 -23.075 2.683 2.244 298 HB2 LYS 37 2HB LYS 37 -22.914 1.750 4.480 299 HB3 LYS 37 1HB LYS 37 -22.891 0.480 3.268 300 HG2 LYS 37 2HG LYS 37 -20.456 0.353 3.488 301 HG3 LYS 37 1HG LYS 37 -20.508 1.559 4.759 302 HD2 LYS 37 2HD LYS 37 -21.933 -1.109 4.920 303 HD3 LYS 37 1HD LYS 37 -20.310 -0.845 5.529 304 HE2 LYS 37 2HE LYS 37 -21.787 -0.700 7.399 305 HE3 LYS 37 1HE LYS 37 -21.248 0.930 7.039 306 HZ1 LYS 37 3HZ LYS 37 -23.903 -0.216 6.301 307 HZ2 LYS 37 1HZ LYS 37 -23.408 1.363 5.990 308 HZ3 LYS 37 2HZ LYS 37 -23.593 0.855 7.552 309 H SER 38 H SER 38 -19.603 2.926 2.716 310 HA SER 38 HA SER 38 -19.961 5.183 4.476 311 HB2 SER 38 2HB SER 38 -17.459 3.914 3.368 312 HB3 SER 38 1HB SER 38 -17.501 5.178 4.603 313 HG SER 38 HG SER 38 -19.148 3.311 5.403 314 H GLY 39 H GLY 39 -19.862 4.770 1.124 315 HA2 GLY 39 2HA GLY 39 -20.008 6.392 -0.529 316 HA3 GLY 39 1HA GLY 39 -19.796 7.623 0.710 317 H ILE 40 H ILE 40 -17.723 4.922 -0.101 318 HA ILE 40 HA ILE 40 -15.457 6.751 -0.411 319 HB ILE 40 HB ILE 40 -15.547 3.723 -0.144 320 HG12 ILE 40 2HG1 ILE 40 -14.814 5.818 1.921 321 HG13 ILE 40 1HG1 ILE 40 -16.315 4.906 1.882 322 HG21 ILE 40 1HG2 ILE 40 -13.170 5.590 -0.009 323 HG22 ILE 40 2HG2 ILE 40 -13.564 4.516 -1.350 324 HG23 ILE 40 3HG2 ILE 40 -13.142 3.838 0.219 325 HD11 ILE 40 3HD1 ILE 40 -14.767 4.031 3.537 326 HD12 ILE 40 1HD1 ILE 40 -13.557 3.769 2.285 327 HD13 ILE 40 2HD1 ILE 40 -15.058 2.840 2.270 328 H ASP 41 H ASP 41 -14.306 6.809 -2.354 329 HA ASP 41 HA ASP 41 -15.738 6.132 -4.689 330 HB2 ASP 41 2HB ASP 41 -14.227 8.050 -4.661 331 HB3 ASP 41 1HB ASP 41 -12.845 6.983 -4.423 332 H ILE 42 H ILE 42 -15.967 4.220 -5.448 333 HA ILE 42 HA ILE 42 -13.753 2.304 -5.254 334 HB ILE 42 HB ILE 42 -15.522 1.749 -3.648 335 HG12 ILE 42 2HG1 ILE 42 -16.025 -0.600 -4.375 336 HG13 ILE 42 1HG1 ILE 42 -15.369 -0.201 -5.957 337 HG21 ILE 42 1HG2 ILE 42 -17.754 1.044 -4.353 338 HG22 ILE 42 2HG2 ILE 42 -17.373 1.540 -6.003 339 HG23 ILE 42 3HG2 ILE 42 -17.431 2.741 -4.714 340 HD11 ILE 42 3HD1 ILE 42 -13.190 0.236 -4.940 341 HD12 ILE 42 1HD1 ILE 42 -13.757 -1.400 -4.594 342 HD13 ILE 42 2HD1 ILE 42 -13.863 -0.151 -3.353 343 H ASP 43 H ASP 43 -16.238 3.710 -7.284 344 HA ASP 43 HA ASP 43 -16.260 1.614 -9.197 345 HB2 ASP 43 2HB ASP 43 -17.646 2.893 -10.596 346 HB3 ASP 43 1HB ASP 43 -18.114 3.363 -8.972 347 H SER 44 H SER 44 -14.337 4.515 -8.900 348 HA SER 44 HA SER 44 -13.212 4.409 -11.485 349 HB2 SER 44 2HB SER 44 -11.434 5.845 -10.520 350 HB3 SER 44 1HB SER 44 -13.045 6.404 -10.065 351 HG SER 44 HG SER 44 -12.495 6.123 -8.046 352 H ALA 45 H ALA 45 -12.357 3.002 -8.427 353 HA ALA 45 HA ALA 45 -9.937 1.788 -9.152 354 HB1 ALA 45 1HB ALA 45 -10.643 2.052 -6.825 355 HB2 ALA 45 2HB ALA 45 -10.274 0.366 -7.173 356 HB3 ALA 45 3HB ALA 45 -11.952 0.901 -7.085 357 H LEU 46 H LEU 46 -13.214 0.445 -9.036 358 HA LEU 46 HA LEU 46 -12.640 -2.118 -10.028 359 HB2 LEU 46 2HB LEU 46 -15.155 -0.478 -10.312 360 HB3 LEU 46 1HB LEU 46 -15.043 -2.198 -10.606 361 HG LEU 46 HG LEU 46 -14.574 -0.866 -7.931 362 HD11 LEU 46 1HD1 LEU 46 -16.898 -0.675 -8.606 363 HD12 LEU 46 2HD1 LEU 46 -16.727 -1.838 -7.290 364 HD13 LEU 46 3HD1 LEU 46 -16.954 -2.401 -8.947 365 HD21 LEU 46 3HD2 LEU 46 -14.695 -3.159 -7.043 366 HD22 LEU 46 1HD2 LEU 46 -13.339 -2.958 -8.153 367 HD23 LEU 46 2HD2 LEU 46 -14.802 -3.781 -8.689 368 H ASP 47 H ASP 47 -13.471 0.859 -11.647 369 HA ASP 47 HA ASP 47 -13.665 -0.162 -14.269 370 HB2 ASP 47 2HB ASP 47 -14.595 2.013 -13.576 371 HB3 ASP 47 1HB ASP 47 -12.958 2.637 -13.399 372 H ARG 48 H ARG 48 -10.957 1.125 -12.418 373 HA ARG 48 HA ARG 48 -9.268 1.015 -14.746 374 HB2 ARG 48 2HB ARG 48 -8.725 1.967 -11.970 375 HB3 ARG 48 1HB ARG 48 -7.484 1.911 -13.224 376 HG2 ARG 48 2HG ARG 48 -8.911 3.397 -14.582 377 HG3 ARG 48 1HG ARG 48 -10.045 3.476 -13.236 378 HD2 ARG 48 2HD ARG 48 -8.288 4.375 -11.830 379 HD3 ARG 48 1HD ARG 48 -7.165 4.321 -13.181 380 HE ARG 48 HE ARG 48 -9.618 5.791 -13.628 381 HH11 ARG 48 1HH1 ARG 48 -6.249 6.110 -12.605 382 HH12 ARG 48 2HH1 ARG 48 -6.067 7.678 -13.244 383 HH21 ARG 48 1HH2 ARG 48 -9.390 7.909 -14.459 384 HH22 ARG 48 2HH2 ARG 48 -7.908 8.752 -14.323 385 H GLY 49 H GLY 49 -10.190 -1.357 -12.728 386 HA2 GLY 49 2HA GLY 49 -9.143 -3.454 -13.680 387 HA3 GLY 49 1HA GLY 49 -7.612 -2.719 -13.256 388 H VAL 50 H VAL 50 -9.705 -2.006 -10.774 389 HA VAL 50 HA VAL 50 -8.619 -4.140 -9.165 390 HB VAL 50 HB VAL 50 -10.609 -1.946 -8.446 391 HG11 VAL 50 1HG1 VAL 50 -10.835 -3.867 -6.964 392 HG12 VAL 50 2HG1 VAL 50 -10.114 -2.498 -6.114 393 HG13 VAL 50 3HG1 VAL 50 -9.101 -3.841 -6.644 394 HG21 VAL 50 3HG2 VAL 50 -7.662 -2.172 -7.870 395 HG22 VAL 50 1HG2 VAL 50 -8.720 -0.888 -7.305 396 HG23 VAL 50 2HG2 VAL 50 -8.408 -1.081 -9.033 397 H ILE 51 H ILE 51 -9.574 -6.013 -8.796 398 HA ILE 51 HA ILE 51 -12.325 -6.370 -9.781 399 HB ILE 51 HB ILE 51 -11.838 -8.761 -9.994 400 HG12 ILE 51 2HG1 ILE 51 -8.996 -8.088 -9.166 401 HG13 ILE 51 1HG1 ILE 51 -10.167 -8.896 -8.134 402 HG21 ILE 51 1HG2 ILE 51 -10.213 -8.648 -11.832 403 HG22 ILE 51 2HG2 ILE 51 -9.777 -7.016 -11.327 404 HG23 ILE 51 3HG2 ILE 51 -11.408 -7.355 -11.907 405 HD11 ILE 51 3HD1 ILE 51 -10.246 -10.769 -9.686 406 HD12 ILE 51 1HD1 ILE 51 -8.597 -10.473 -9.132 407 HD13 ILE 51 2HD1 ILE 51 -9.093 -9.952 -10.742 408 H VAL 52 H VAL 52 -13.691 -7.812 -8.565 409 HA VAL 52 HA VAL 52 -13.051 -7.637 -5.727 410 HB VAL 52 HB VAL 52 -15.051 -6.359 -6.299 411 HG11 VAL 52 1HG1 VAL 52 -16.220 -8.925 -7.342 412 HG12 VAL 52 2HG1 VAL 52 -15.774 -7.506 -8.289 413 HG13 VAL 52 3HG1 VAL 52 -17.097 -7.411 -7.128 414 HG21 VAL 52 3HG2 VAL 52 -15.020 -7.399 -4.108 415 HG22 VAL 52 1HG2 VAL 52 -15.746 -8.863 -4.770 416 HG23 VAL 52 2HG2 VAL 52 -16.667 -7.358 -4.737 417 H ARG 53 H ARG 53 -12.798 -9.380 -4.558 418 HA ARG 53 HA ARG 53 -13.550 -11.983 -5.742 419 HB2 ARG 53 2HB ARG 53 -11.050 -11.528 -5.522 420 HB3 ARG 53 1HB ARG 53 -11.291 -11.503 -3.783 421 HG2 ARG 53 2HG ARG 53 -10.558 -13.674 -4.127 422 HG3 ARG 53 1HG ARG 53 -12.306 -13.884 -4.157 423 HD2 ARG 53 2HD ARG 53 -10.469 -13.679 -6.553 424 HD3 ARG 53 1HD ARG 53 -11.265 -15.135 -5.975 425 HE ARG 53 HE ARG 53 -13.388 -13.846 -6.496 426 HH11 ARG 53 1HH1 ARG 53 -10.420 -13.755 -8.435 427 HH12 ARG 53 2HH1 ARG 53 -11.182 -13.097 -9.813 428 HH21 ARG 53 1HH2 ARG 53 -14.435 -12.968 -8.435 429 HH22 ARG 53 2HH2 ARG 53 -13.506 -12.665 -9.821 430 H ALA 54 H ALA 54 -14.737 -13.317 -4.450 431 HA ALA 54 HA ALA 54 -15.484 -12.316 -1.808 432 HB1 ALA 54 1HB ALA 54 -17.427 -13.804 -2.060 433 HB2 ALA 54 2HB ALA 54 -16.806 -14.333 -3.627 434 HB3 ALA 54 3HB ALA 54 -17.319 -12.665 -3.405 435 H PHE 55 H PHE 55 -14.711 -13.420 -0.071 436 HA PHE 55 HA PHE 55 -13.141 -15.764 -0.581 437 HB2 PHE 55 2HB PHE 55 -12.488 -13.941 1.047 438 HB3 PHE 55 1HB PHE 55 -13.811 -14.465 2.068 439 HD1 PHE 55 1HD PHE 55 -10.998 -16.107 0.246 440 HD2 PHE 55 2HD PHE 55 -13.158 -15.665 3.871 441 HE1 PHE 55 1HE PHE 55 -9.490 -17.706 1.335 442 HE2 PHE 55 2HE PHE 55 -11.659 -17.267 4.964 443 HZ PHE 55 HZ PHE 55 -9.831 -18.292 3.705 444 H SER 56 H SER 56 -14.202 -17.553 -0.975 445 HA SER 56 HA SER 56 -16.845 -18.065 -0.112 446 HB2 SER 56 2HB SER 56 -16.274 -20.268 -1.309 447 HB3 SER 56 1HB SER 56 -16.300 -18.775 -2.256 448 HG SER 56 HG SER 56 -14.394 -19.443 -2.796 449 H HIS 57 H HIS 57 -13.846 -18.690 1.214 450 HA HIS 57 HA HIS 57 -14.616 -21.024 2.797 451 HB2 HIS 57 2HB HIS 57 -12.370 -20.820 1.720 452 HB3 HIS 57 1HB HIS 57 -12.064 -19.383 2.664 453 HD1 HIS 57 1HD HIS 57 -12.145 -23.107 2.880 454 HD2 HIS 57 2HD HIS 57 -11.221 -19.871 5.309 455 HE1 HIS 57 1HE HIS 57 -10.840 -24.051 4.799 456 HE2 HIS 57 2HE HIS 57 -9.996 -22.014 5.987 457 H LYS 58 H LYS 58 -14.504 -20.830 5.221 458 HA LYS 58 HA LYS 58 -15.561 -18.334 6.128 459 HB2 LYS 58 2HB LYS 58 -14.689 -20.763 7.683 460 HB3 LYS 58 1HB LYS 58 -15.378 -19.318 8.400 461 HG2 LYS 58 2HG LYS 58 -17.436 -19.702 7.074 462 HG3 LYS 58 1HG LYS 58 -16.731 -21.211 6.490 463 HD2 LYS 58 2HD LYS 58 -18.224 -21.645 8.382 464 HD3 LYS 58 1HD LYS 58 -16.551 -22.023 8.801 465 HE2 LYS 58 2HE LYS 58 -16.357 -19.874 9.980 466 HE3 LYS 58 1HE LYS 58 -18.014 -19.476 9.521 467 HZ1 LYS 58 3HZ LYS 58 -17.163 -21.709 11.281 468 HZ2 LYS 58 1HZ LYS 58 -18.755 -21.364 10.847 469 HZ3 LYS 58 2HZ LYS 58 -17.866 -20.278 11.775 470 HA PRO 59 HA PRO 59 -11.521 -16.769 7.179 471 HB2 PRO 59 2HB PRO 59 -12.244 -14.178 7.453 472 HB3 PRO 59 1HB PRO 59 -12.022 -14.930 5.871 473 HG2 PRO 59 2HG PRO 59 -14.518 -14.198 7.276 474 HG3 PRO 59 1HG PRO 59 -14.192 -14.306 5.539 475 HD2 PRO 59 2HD PRO 59 -15.510 -16.226 7.148 476 HD3 PRO 59 1HD PRO 59 -14.971 -16.428 5.469 477 HA PRO 60 HA PRO 60 -12.364 -16.894 11.613 478 HB2 PRO 60 2HB PRO 60 -9.742 -16.628 12.389 479 HB3 PRO 60 1HB PRO 60 -10.474 -18.170 11.932 480 HG2 PRO 60 2HG PRO 60 -8.752 -16.338 10.325 481 HG3 PRO 60 1HG PRO 60 -8.753 -18.108 10.384 482 HD2 PRO 60 2HD PRO 60 -9.886 -16.709 8.382 483 HD3 PRO 60 1HD PRO 60 -10.522 -18.277 8.914 484 H LYS 61 H LYS 61 -12.841 -15.240 12.908 485 HA LYS 61 HA LYS 61 -12.288 -12.598 12.082 486 HB2 LYS 61 2HB LYS 61 -14.439 -13.237 13.073 487 HB3 LYS 61 1HB LYS 61 -13.636 -13.733 14.547 488 HG2 LYS 61 2HG LYS 61 -13.507 -10.875 13.626 489 HG3 LYS 61 1HG LYS 61 -14.926 -11.515 14.457 490 HD2 LYS 61 2HD LYS 61 -13.542 -12.140 16.372 491 HD3 LYS 61 1HD LYS 61 -12.103 -11.578 15.528 492 HE2 LYS 61 2HE LYS 61 -14.445 -9.844 16.320 493 HE3 LYS 61 1HE LYS 61 -12.928 -9.965 17.208 494 HZ1 LYS 61 3HZ LYS 61 -13.324 -8.862 14.476 495 HZ2 LYS 61 1HZ LYS 61 -11.803 -9.173 15.156 496 HZ3 LYS 61 2HZ LYS 61 -12.822 -8.057 15.873 497 H VAL 62 H VAL 62 -10.367 -11.741 12.339 498 HA VAL 62 HA VAL 62 -8.505 -12.544 14.309 499 HB VAL 62 HB VAL 62 -8.599 -10.002 12.652 500 HG11 VAL 62 1HG1 VAL 62 -6.272 -11.282 14.091 501 HG12 VAL 62 2HG1 VAL 62 -7.084 -9.784 14.554 502 HG13 VAL 62 3HG1 VAL 62 -6.174 -9.868 13.043 503 HG21 VAL 62 3HG2 VAL 62 -7.035 -11.131 11.133 504 HG22 VAL 62 1HG2 VAL 62 -8.579 -11.974 11.233 505 HG23 VAL 62 2HG2 VAL 62 -7.174 -12.603 12.095 506 H GLY 63 H GLY 63 -8.167 -11.673 16.320 507 HA2 GLY 63 2HA GLY 63 -10.257 -10.760 17.823 508 HA3 GLY 63 1HA GLY 63 -8.578 -10.519 18.260 509 H ASN 64 H ASN 64 -7.608 -8.638 16.864 510 HA ASN 64 HA ASN 64 -8.977 -6.255 17.729 511 HB2 ASN 64 2HB ASN 64 -6.554 -6.377 17.808 512 HB3 ASN 64 1HB ASN 64 -6.481 -6.599 16.062 513 HD21 ASN 64 1HD2 ASN 64 -5.379 -4.845 15.544 514 HD22 ASN 64 2HD2 ASN 64 -5.883 -3.209 15.779 515 H LEU 65 H LEU 65 -8.536 -7.853 14.658 516 HA LEU 65 HA LEU 65 -9.253 -5.453 13.249 517 HB2 LEU 65 2HB LEU 65 -8.553 -8.147 12.130 518 HB3 LEU 65 1HB LEU 65 -8.662 -6.640 11.252 519 HG LEU 65 HG LEU 65 -6.642 -7.262 13.397 520 HD11 LEU 65 1HD1 LEU 65 -6.299 -6.972 10.429 521 HD12 LEU 65 2HD1 LEU 65 -6.268 -8.481 11.335 522 HD13 LEU 65 3HD1 LEU 65 -5.025 -7.262 11.618 523 HD21 LEU 65 3HD2 LEU 65 -5.597 -5.135 12.692 524 HD22 LEU 65 1HD2 LEU 65 -7.187 -4.904 13.420 525 HD23 LEU 65 2HD2 LEU 65 -6.997 -4.812 11.671 526 HA PRO 66 HA PRO 66 -13.574 -6.422 12.821 527 HB2 PRO 66 2HB PRO 66 -13.283 -4.748 10.375 528 HB3 PRO 66 1HB PRO 66 -14.421 -4.585 11.715 529 HG2 PRO 66 2HG PRO 66 -12.375 -2.920 11.484 530 HG3 PRO 66 1HG PRO 66 -12.882 -3.522 13.071 531 HD2 PRO 66 2HD PRO 66 -10.564 -4.357 11.383 532 HD3 PRO 66 1HD PRO 66 -10.679 -4.133 13.147 533 H GLN 67 H GLN 67 -15.034 -7.235 11.070 534 HA GLN 67 HA GLN 67 -14.126 -9.580 9.902 535 HB2 GLN 67 2HB GLN 67 -16.532 -7.893 9.241 536 HB3 GLN 67 1HB GLN 67 -16.249 -9.473 8.531 537 HG2 GLN 67 2HG GLN 67 -16.474 -8.948 11.480 538 HG3 GLN 67 1HG GLN 67 -17.808 -9.475 10.461 539 HE21 GLN 67 1HE2 GLN 67 -16.164 -11.287 8.834 540 HE22 GLN 67 2HE2 GLN 67 -15.818 -12.621 9.862 541 H TYR 68 H TYR 68 -14.710 -6.464 8.363 542 HA TYR 68 HA TYR 68 -14.058 -7.379 5.820 543 HB2 TYR 68 2HB TYR 68 -13.928 -4.915 5.189 544 HB3 TYR 68 1HB TYR 68 -15.426 -5.502 5.862 545 HD1 TYR 68 2HD TYR 68 -12.254 -3.945 7.138 546 HD2 TYR 68 1HD TYR 68 -16.488 -4.142 7.367 547 HE1 TYR 68 2HE TYR 68 -12.239 -2.141 8.787 548 HE2 TYR 68 1HE TYR 68 -16.482 -2.333 9.028 549 HH TYR 68 HH TYR 68 -13.672 -0.482 9.645 550 H GLU 69 H GLU 69 -11.892 -6.183 8.309 551 HA GLU 69 HA GLU 69 -9.672 -5.894 6.486 552 HB2 GLU 69 2HB GLU 69 -9.639 -6.273 9.490 553 HB3 GLU 69 1HB GLU 69 -8.253 -5.821 8.522 554 HG2 GLU 69 2HG GLU 69 -10.723 -4.168 9.038 555 HG3 GLU 69 1HG GLU 69 -9.135 -3.934 9.753 556 H SER 70 H SER 70 -10.883 -8.324 8.723 557 HA SER 70 HA SER 70 -8.834 -10.225 8.463 558 HB2 SER 70 2HB SER 70 -11.776 -10.710 9.036 559 HB3 SER 70 1HB SER 70 -10.444 -11.799 9.425 560 HG SER 70 HG SER 70 -11.023 -9.251 10.547 561 H GLU 71 H GLU 71 -11.819 -9.703 6.677 562 HA GLU 71 HA GLU 71 -11.941 -11.821 4.908 563 HB2 GLU 71 2HB GLU 71 -13.610 -10.007 5.218 564 HB3 GLU 71 1HB GLU 71 -12.529 -8.892 4.412 565 HG2 GLU 71 2HG GLU 71 -14.201 -9.475 2.863 566 HG3 GLU 71 1HG GLU 71 -12.743 -10.324 2.368 567 H ALA 72 H ALA 72 -10.252 -8.710 4.569 568 HA ALA 72 HA ALA 72 -9.150 -9.155 2.012 569 HB1 ALA 72 1HB ALA 72 -8.136 -7.329 4.186 570 HB2 ALA 72 2HB ALA 72 -9.391 -6.930 3.011 571 HB3 ALA 72 3HB ALA 72 -7.740 -7.236 2.468 572 H ILE 73 H ILE 73 -7.698 -9.492 5.222 573 HA ILE 73 HA ILE 73 -5.177 -10.377 4.395 574 HB ILE 73 HB ILE 73 -6.639 -11.201 6.927 575 HG12 ILE 73 2HG1 ILE 73 -4.690 -8.937 6.431 576 HG13 ILE 73 1HG1 ILE 73 -6.418 -8.765 6.723 577 HG21 ILE 73 1HG2 ILE 73 -4.758 -12.687 6.468 578 HG22 ILE 73 2HG2 ILE 73 -4.397 -11.650 7.848 579 HG23 ILE 73 3HG2 ILE 73 -3.687 -11.298 6.274 580 HD11 ILE 73 3HD1 ILE 73 -4.403 -9.860 8.666 581 HD12 ILE 73 1HD1 ILE 73 -6.128 -9.659 8.970 582 HD13 ILE 73 2HD1 ILE 73 -5.105 -8.245 8.710 583 H MET 74 H MET 74 -8.094 -12.267 5.094 584 HA MET 74 HA MET 74 -6.870 -14.787 4.686 585 HB2 MET 74 2HB MET 74 -9.752 -13.975 4.609 586 HB3 MET 74 1HB MET 74 -9.202 -15.634 4.467 587 HG2 MET 74 2HG MET 74 -8.700 -13.850 6.837 588 HG3 MET 74 1HG MET 74 -10.003 -15.019 6.730 589 HE1 MET 74 3HE MET 74 -5.930 -14.892 6.284 590 HE2 MET 74 1HE MET 74 -5.586 -15.881 7.691 591 HE3 MET 74 2HE MET 74 -6.425 -14.344 7.880 592 H VAL 75 H VAL 75 -8.566 -12.665 2.457 593 HA VAL 75 HA VAL 75 -8.523 -14.498 0.310 594 HB VAL 75 HB VAL 75 -8.594 -11.451 0.247 595 HG11 VAL 75 1HG1 VAL 75 -9.361 -11.657 -2.080 596 HG12 VAL 75 2HG1 VAL 75 -9.125 -13.403 -2.005 597 HG13 VAL 75 3HG1 VAL 75 -7.738 -12.320 -1.889 598 HG21 VAL 75 3HG2 VAL 75 -10.745 -13.528 -0.080 599 HG22 VAL 75 1HG2 VAL 75 -10.978 -11.793 -0.269 600 HG23 VAL 75 2HG2 VAL 75 -10.530 -12.452 1.303 601 H ALA 76 H ALA 76 -6.238 -12.025 1.357 602 HA ALA 76 HA ALA 76 -4.387 -12.405 -0.743 603 HB1 ALA 76 1HB ALA 76 -4.407 -10.401 0.654 604 HB2 ALA 76 2HB ALA 76 -2.817 -11.168 0.655 605 HB3 ALA 76 3HB ALA 76 -3.892 -11.360 2.042 606 H PHE 77 H PHE 77 -4.805 -13.926 2.360 607 HA PHE 77 HA PHE 77 -2.398 -15.413 2.404 608 HB2 PHE 77 2HB PHE 77 -3.783 -14.988 4.412 609 HB3 PHE 77 1HB PHE 77 -5.058 -15.986 3.738 610 HD1 PHE 77 1HD PHE 77 -1.679 -16.010 5.177 611 HD2 PHE 77 2HD PHE 77 -4.974 -18.364 3.906 612 HE1 PHE 77 1HE PHE 77 -0.710 -17.966 6.306 613 HE2 PHE 77 2HE PHE 77 -4.014 -20.332 5.030 614 HZ PHE 77 HZ PHE 77 -1.875 -20.129 6.235 615 H GLU 78 H GLU 78 -5.603 -16.059 1.155 616 HA GLU 78 HA GLU 78 -5.195 -18.812 0.564 617 HB2 GLU 78 2HB GLU 78 -7.374 -17.537 1.000 618 HB3 GLU 78 1HB GLU 78 -7.242 -16.953 -0.639 619 HG2 GLU 78 2HG GLU 78 -7.361 -19.885 0.027 620 HG3 GLU 78 1HG GLU 78 -8.794 -18.903 -0.211 621 H LEU 79 H LEU 79 -5.228 -15.860 -1.405 622 HA LEU 79 HA LEU 79 -4.639 -17.258 -3.858 623 HB2 LEU 79 2HB LEU 79 -4.559 -14.313 -3.219 624 HB3 LEU 79 1HB LEU 79 -4.440 -15.008 -4.818 625 HG LEU 79 HG LEU 79 -6.867 -15.169 -3.026 626 HD11 LEU 79 1HD1 LEU 79 -6.456 -12.902 -3.827 627 HD12 LEU 79 2HD1 LEU 79 -7.865 -13.607 -4.619 628 HD13 LEU 79 3HD1 LEU 79 -6.329 -13.500 -5.482 629 HD21 LEU 79 3HD2 LEU 79 -6.678 -17.082 -4.526 630 HD22 LEU 79 1HD2 LEU 79 -6.442 -15.989 -5.891 631 HD23 LEU 79 2HD2 LEU 79 -7.985 -16.011 -5.032 632 H ASN 80 H ASN 80 -2.842 -15.967 -1.295 633 HA ASN 80 HA ASN 80 -0.756 -15.463 -0.830 634 HB2 ASN 80 2HB ASN 80 -0.157 -17.719 -1.797 635 HB3 ASN 80 1HB ASN 80 0.105 -16.939 -3.357 636 HD21 ASN 80 1HD2 ASN 80 0.972 -15.773 -0.144 637 HD22 ASN 80 2HD2 ASN 80 2.671 -15.724 -0.424 638 H ALA 81 H ALA 81 -1.581 -13.458 -1.262 639 HA ALA 81 HA ALA 81 -0.635 -12.214 -3.745 640 HB1 ALA 81 1HB ALA 81 -3.078 -11.524 -2.138 641 HB2 ALA 81 2HB ALA 81 -3.064 -12.456 -3.635 642 HB3 ALA 81 3HB ALA 81 -2.560 -10.764 -3.643 643 H LEU 82 H LEU 82 -0.529 -9.832 -3.506 644 HA LEU 82 HA LEU 82 1.181 -9.163 -1.268 645 HB2 LEU 82 2HB LEU 82 1.517 -8.619 -3.794 646 HB3 LEU 82 1HB LEU 82 0.246 -7.447 -3.587 647 HG LEU 82 HG LEU 82 2.453 -6.418 -3.614 648 HD11 LEU 82 1HD1 LEU 82 0.758 -5.275 -2.352 649 HD12 LEU 82 2HD1 LEU 82 2.339 -5.096 -1.586 650 HD13 LEU 82 3HD1 LEU 82 1.158 -6.222 -0.916 651 HD21 LEU 82 3HD2 LEU 82 4.048 -6.781 -1.812 652 HD22 LEU 82 1HD2 LEU 82 3.749 -8.257 -2.729 653 HD23 LEU 82 2HD2 LEU 82 3.009 -8.039 -1.142 654 H LEU 83 H LEU 83 0.248 -8.167 0.521 655 HA LEU 83 HA LEU 83 -2.511 -7.288 0.155 656 HB2 LEU 83 2HB LEU 83 -2.070 -8.984 1.915 657 HB3 LEU 83 1HB LEU 83 -1.044 -7.828 2.738 658 HG LEU 83 HG LEU 83 -3.044 -6.329 2.972 659 HD11 LEU 83 1HD1 LEU 83 -5.257 -7.315 2.710 660 HD12 LEU 83 2HD1 LEU 83 -4.531 -8.752 1.998 661 HD13 LEU 83 3HD1 LEU 83 -4.401 -7.198 1.175 662 HD21 LEU 83 3HD2 LEU 83 -4.063 -7.600 4.785 663 HD22 LEU 83 1HD2 LEU 83 -2.305 -7.714 4.820 664 HD23 LEU 83 2HD2 LEU 83 -3.265 -9.065 4.210 665 H ILE 84 H ILE 84 -2.993 -5.247 0.169 666 HA ILE 84 HA ILE 84 -0.955 -3.336 1.039 667 HB ILE 84 HB ILE 84 -3.358 -2.889 -0.772 668 HG12 ILE 84 2HG1 ILE 84 -0.423 -3.151 -1.491 669 HG13 ILE 84 1HG1 ILE 84 -1.647 -4.376 -1.773 670 HG21 ILE 84 1HG2 ILE 84 -2.657 -0.878 0.439 671 HG22 ILE 84 2HG2 ILE 84 -2.271 -0.740 -1.275 672 HG23 ILE 84 3HG2 ILE 84 -0.998 -1.111 -0.115 673 HD11 ILE 84 3HD1 ILE 84 -2.797 -2.894 -3.312 674 HD12 ILE 84 1HD1 ILE 84 -1.115 -3.126 -3.792 675 HD13 ILE 84 2HD1 ILE 84 -1.608 -1.629 -3.000 676 H ALA 85 H ALA 85 -1.334 -2.542 2.990 677 HA ALA 85 HA ALA 85 -4.078 -2.030 3.826 678 HB1 ALA 85 1HB ALA 85 -3.683 -3.101 5.988 679 HB2 ALA 85 2HB ALA 85 -2.093 -3.632 5.437 680 HB3 ALA 85 3HB ALA 85 -3.551 -4.261 4.667 681 H GLU 86 H GLU 86 -4.223 -0.375 5.285 682 HA GLU 86 HA GLU 86 -1.804 1.231 5.513 683 HB2 GLU 86 2HB GLU 86 -4.706 1.858 5.756 684 HB3 GLU 86 1HB GLU 86 -3.507 2.976 6.376 685 HG2 GLU 86 2HG GLU 86 -3.643 1.974 3.545 686 HG3 GLU 86 1HG GLU 86 -4.286 3.522 4.110 687 H ASP 87 H ASP 87 -4.014 -0.572 7.495 688 HA ASP 87 HA ASP 87 -3.089 0.814 9.854 689 HB2 ASP 87 2HB ASP 87 -5.455 0.029 9.699 690 HB3 ASP 87 1HB ASP 87 -4.855 -1.625 9.768 691 H LYS 88 H LYS 88 -1.468 0.341 10.922 692 HA LYS 88 HA LYS 88 0.512 -1.408 10.453 693 HB2 LYS 88 2HB LYS 88 1.338 -1.006 12.667 694 HB3 LYS 88 1HB LYS 88 0.726 0.485 11.966 695 HG2 LYS 88 2HG LYS 88 -0.710 -1.202 14.036 696 HG3 LYS 88 1HG LYS 88 0.221 0.250 14.394 697 HD2 LYS 88 2HD LYS 88 -1.311 1.574 13.060 698 HD3 LYS 88 1HD LYS 88 -2.195 0.125 12.601 699 HE2 LYS 88 2HE LYS 88 -2.789 -0.225 14.953 700 HE3 LYS 88 1HE LYS 88 -1.972 1.289 15.367 701 HZ1 LYS 88 3HZ LYS 88 -3.487 2.466 13.930 702 HZ2 LYS 88 1HZ LYS 88 -4.358 1.589 15.072 703 HZ3 LYS 88 2HZ LYS 88 -4.248 1.043 13.468 704 H ASP 89 H ASP 89 -2.353 -2.177 12.390 705 HA ASP 89 HA ASP 89 -1.071 -4.569 13.387 706 HB2 ASP 89 2HB ASP 89 -2.759 -3.285 14.743 707 HB3 ASP 89 1HB ASP 89 -3.999 -3.876 13.642 708 H VAL 90 H VAL 90 -3.347 -3.725 10.911 709 HA VAL 90 HA VAL 90 -4.068 -6.342 10.078 710 HB VAL 90 HB VAL 90 -3.756 -3.854 8.341 711 HG11 VAL 90 1HG1 VAL 90 -5.408 -6.339 7.873 712 HG12 VAL 90 2HG1 VAL 90 -3.911 -5.927 7.041 713 HG13 VAL 90 3HG1 VAL 90 -5.345 -4.922 6.825 714 HG21 VAL 90 3HG2 VAL 90 -6.104 -3.438 8.697 715 HG22 VAL 90 1HG2 VAL 90 -5.286 -3.518 10.257 716 HG23 VAL 90 2HG2 VAL 90 -6.245 -4.886 9.684 717 H ILE 91 H ILE 91 -1.535 -4.128 9.128 718 HA ILE 91 HA ILE 91 -0.160 -5.712 7.280 719 HB ILE 91 HB ILE 91 0.906 -3.588 9.171 720 HG12 ILE 91 2HG1 ILE 91 0.105 -3.359 6.265 721 HG13 ILE 91 1HG1 ILE 91 -0.899 -2.853 7.623 722 HG21 ILE 91 1HG2 ILE 91 2.736 -4.938 8.354 723 HG22 ILE 91 2HG2 ILE 91 2.781 -3.348 7.590 724 HG23 ILE 91 3HG2 ILE 91 2.178 -4.745 6.691 725 HD11 ILE 91 3HD1 ILE 91 1.792 -1.729 6.882 726 HD12 ILE 91 1HD1 ILE 91 0.793 -1.206 8.241 727 HD13 ILE 91 2HD1 ILE 91 0.223 -0.972 6.590 728 H ASN 92 H ASN 92 0.268 -5.341 10.772 729 HA ASN 92 HA ASN 92 2.423 -7.071 11.136 730 HB2 ASN 92 2HB ASN 92 1.767 -5.539 12.898 731 HB3 ASN 92 1HB ASN 92 0.201 -6.320 13.048 732 HD21 ASN 92 1HD2 ASN 92 0.035 -8.179 14.221 733 HD22 ASN 92 2HD2 ASN 92 1.298 -8.877 15.138 734 H LYS 93 H LYS 93 -1.064 -7.764 11.449 735 HA LYS 93 HA LYS 93 -0.696 -10.454 12.182 736 HB2 LYS 93 2HB LYS 93 -3.113 -9.181 10.896 737 HB3 LYS 93 1HB LYS 93 -3.085 -10.780 11.616 738 HG2 LYS 93 2HG LYS 93 -2.807 -8.118 12.998 739 HG3 LYS 93 1HG LYS 93 -4.082 -9.319 13.194 740 HD2 LYS 93 2HD LYS 93 -1.194 -9.605 14.030 741 HD3 LYS 93 1HD LYS 93 -2.574 -9.364 15.088 742 HE2 LYS 93 2HE LYS 93 -3.470 -11.529 14.470 743 HE3 LYS 93 1HE LYS 93 -2.193 -11.754 13.285 744 HZ1 LYS 93 3HZ LYS 93 -0.576 -11.665 15.037 745 HZ2 LYS 93 1HZ LYS 93 -1.660 -12.930 15.320 746 HZ3 LYS 93 2HZ LYS 93 -1.771 -11.482 16.200 747 H ALA 94 H ALA 94 -1.191 -8.961 9.064 748 HA ALA 94 HA ALA 94 -1.469 -11.339 7.623 749 HB1 ALA 94 1HB ALA 94 -2.102 -9.164 6.760 750 HB2 ALA 94 2HB ALA 94 -0.988 -9.985 5.663 751 HB3 ALA 94 3HB ALA 94 -0.406 -8.689 6.715 752 H LYS 95 H LYS 95 1.439 -9.385 8.346 753 HA LYS 95 HA LYS 95 3.089 -11.117 6.825 754 HB2 LYS 95 2HB LYS 95 5.042 -9.991 7.808 755 HB3 LYS 95 1HB LYS 95 3.857 -8.854 7.188 756 HG2 LYS 95 2HG LYS 95 3.112 -8.333 9.375 757 HG3 LYS 95 1HG LYS 95 4.109 -9.607 10.088 758 HD2 LYS 95 2HD LYS 95 5.158 -7.443 10.418 759 HD3 LYS 95 1HD LYS 95 6.122 -8.414 9.306 760 HE2 LYS 95 2HE LYS 95 5.178 -7.196 7.424 761 HE3 LYS 95 1HE LYS 95 4.175 -6.256 8.528 762 HZ1 LYS 95 3HZ LYS 95 6.149 -5.055 7.843 763 HZ2 LYS 95 1HZ LYS 95 7.151 -6.241 8.475 764 HZ3 LYS 95 2HZ LYS 95 6.195 -5.311 9.496 765 H GLU 96 H GLU 96 1.991 -11.269 10.109 766 HA GLU 96 HA GLU 96 3.859 -13.241 10.963 767 HB2 GLU 96 2HB GLU 96 1.047 -12.695 11.939 768 HB3 GLU 96 1HB GLU 96 2.157 -13.811 12.712 769 HG2 GLU 96 2HG GLU 96 3.692 -11.896 13.114 770 HG3 GLU 96 1HG GLU 96 2.452 -10.827 12.460 771 H LEU 97 H LEU 97 0.959 -13.309 9.099 772 HA LEU 97 HA LEU 97 0.749 -16.201 9.190 773 HB2 LEU 97 2HB LEU 97 -0.831 -14.154 7.635 774 HB3 LEU 97 1HB LEU 97 -1.188 -15.867 7.693 775 HG LEU 97 HG LEU 97 -1.303 -13.975 10.049 776 HD11 LEU 97 1HD1 LEU 97 -3.071 -13.551 8.447 777 HD12 LEU 97 2HD1 LEU 97 -3.715 -14.293 9.911 778 HD13 LEU 97 3HD1 LEU 97 -3.502 -15.259 8.450 779 HD21 LEU 97 3HD2 LEU 97 -2.367 -15.855 11.216 780 HD22 LEU 97 1HD2 LEU 97 -0.714 -16.239 10.739 781 HD23 LEU 97 2HD2 LEU 97 -2.072 -16.886 9.816 782 H GLY 98 H GLY 98 2.692 -14.115 7.620 783 HA2 GLY 98 2HA GLY 98 4.334 -14.801 6.067 784 HA3 GLY 98 1HA GLY 98 3.297 -16.142 5.609 785 H VAL 99 H VAL 99 1.564 -13.300 5.766 786 HA VAL 99 HA VAL 99 1.482 -13.132 2.871 787 HB VAL 99 HB VAL 99 -0.193 -11.765 4.985 788 HG11 VAL 99 1HG1 VAL 99 -0.175 -10.520 2.878 789 HG12 VAL 99 2HG1 VAL 99 -1.755 -11.252 3.142 790 HG13 VAL 99 3HG1 VAL 99 -0.626 -11.977 1.995 791 HG21 VAL 99 3HG2 VAL 99 -0.537 -14.152 5.047 792 HG22 VAL 99 1HG2 VAL 99 -0.819 -14.185 3.306 793 HG23 VAL 99 2HG2 VAL 99 -1.964 -13.365 4.366 794 H ASN 100 H ASN 100 2.448 -11.474 1.853 795 HA ASN 100 HA ASN 100 4.004 -9.675 3.471 796 HB2 ASN 100 2HB ASN 100 4.875 -10.696 1.350 797 HB3 ASN 100 1HB ASN 100 3.762 -9.663 0.464 798 HD21 ASN 100 1HD2 ASN 100 4.108 -7.409 0.483 799 HD22 ASN 100 2HD2 ASN 100 5.654 -6.744 0.914 800 H ALA 101 H ALA 101 2.603 -8.379 4.474 801 HA ALA 101 HA ALA 101 0.829 -6.719 2.855 802 HB1 ALA 101 1HB ALA 101 -0.140 -7.796 4.815 803 HB2 ALA 101 2HB ALA 101 -0.160 -6.038 4.969 804 HB3 ALA 101 3HB ALA 101 1.042 -6.986 5.845 805 H ILE 102 H ILE 102 1.227 -4.657 2.522 806 HA ILE 102 HA ILE 102 3.203 -3.342 4.154 807 HB ILE 102 HB ILE 102 4.105 -2.208 2.021 808 HG12 ILE 102 2HG1 ILE 102 4.191 -3.795 0.014 809 HG13 ILE 102 1HG1 ILE 102 2.854 -4.653 0.763 810 HG21 ILE 102 1HG2 ILE 102 5.476 -3.593 3.373 811 HG22 ILE 102 2HG2 ILE 102 5.820 -3.884 1.670 812 HG23 ILE 102 3HG2 ILE 102 4.857 -5.045 2.588 813 HD11 ILE 102 3HD1 ILE 102 1.475 -2.663 0.604 814 HD12 ILE 102 1HD1 ILE 102 2.099 -3.116 -0.983 815 HD13 ILE 102 2HD1 ILE 102 2.826 -1.773 -0.090 816 HA PRO 103 HA PRO 103 0.367 0.047 3.895 817 HB2 PRO 103 2HB PRO 103 2.572 1.969 3.815 818 HB3 PRO 103 1HB PRO 103 1.388 1.686 5.093 819 HG2 PRO 103 2HG PRO 103 4.010 1.032 5.332 820 HG3 PRO 103 1HG PRO 103 2.711 0.165 6.162 821 HD2 PRO 103 2HD PRO 103 4.246 -0.600 3.722 822 HD3 PRO 103 1HD PRO 103 3.633 -1.609 5.046 823 H ILE 104 H ILE 104 -0.265 1.785 2.531 824 HA ILE 104 HA ILE 104 -0.035 1.319 -0.193 825 HB ILE 104 HB ILE 104 -1.008 3.645 1.421 826 HG12 ILE 104 2HG1 ILE 104 -2.402 1.646 -0.356 827 HG13 ILE 104 1HG1 ILE 104 -2.341 1.621 1.402 828 HG21 ILE 104 1HG2 ILE 104 -0.949 3.577 -1.583 829 HG22 ILE 104 2HG2 ILE 104 -0.215 4.770 -0.518 830 HG23 ILE 104 3HG2 ILE 104 -1.971 4.656 -0.634 831 HD11 ILE 104 3HD1 ILE 104 -4.470 2.469 0.509 832 HD12 ILE 104 1HD1 ILE 104 -3.583 3.771 -0.262 833 HD13 ILE 104 2HD1 ILE 104 -3.622 3.652 1.501 834 H GLU 105 H GLU 105 1.681 3.614 1.813 835 HA GLU 105 HA GLU 105 2.944 5.010 -0.262 836 HB2 GLU 105 2HB GLU 105 2.628 5.792 2.042 837 HB3 GLU 105 1HB GLU 105 3.870 4.668 2.575 838 HG2 GLU 105 2HG GLU 105 4.411 6.713 0.487 839 HG3 GLU 105 1HG GLU 105 4.423 7.164 2.177 840 H GLU 106 H GLU 106 3.868 2.070 1.460 841 HA GLU 106 HA GLU 106 6.464 2.054 0.287 842 HB2 GLU 106 2HB GLU 106 4.951 -0.194 1.608 843 HB3 GLU 106 1HB GLU 106 6.606 -0.331 1.037 844 HG2 GLU 106 2HG GLU 106 7.002 1.742 2.568 845 HG3 GLU 106 1HG GLU 106 5.520 1.196 3.354 846 H LEU 107 H LEU 107 3.381 0.769 -0.612 847 HA LEU 107 HA LEU 107 4.239 -0.819 -2.807 848 HB2 LEU 107 2HB LEU 107 1.941 -0.860 -1.725 849 HB3 LEU 107 1HB LEU 107 1.625 0.692 -2.443 850 HG LEU 107 HG LEU 107 0.499 -1.251 -3.546 851 HD11 LEU 107 1HD1 LEU 107 0.915 -0.583 -5.834 852 HD12 LEU 107 2HD1 LEU 107 2.358 0.291 -5.322 853 HD13 LEU 107 3HD1 LEU 107 0.768 0.812 -4.766 854 HD21 LEU 107 3HD2 LEU 107 2.272 -2.900 -3.338 855 HD22 LEU 107 1HD2 LEU 107 3.290 -1.969 -4.438 856 HD23 LEU 107 2HD2 LEU 107 1.800 -2.703 -5.024 857 H LEU 108 H LEU 108 3.142 2.512 -2.509 858 HA LEU 108 HA LEU 108 3.468 3.358 -5.177 859 HB2 LEU 108 2HB LEU 108 3.702 4.949 -2.630 860 HB3 LEU 108 1HB LEU 108 3.493 5.620 -4.231 861 HG LEU 108 HG LEU 108 1.472 3.874 -2.832 862 HD11 LEU 108 1HD1 LEU 108 1.756 6.002 -1.672 863 HD12 LEU 108 2HD1 LEU 108 0.212 5.946 -2.517 864 HD13 LEU 108 3HD1 LEU 108 1.557 6.859 -3.200 865 HD21 LEU 108 3HD2 LEU 108 1.311 5.529 -5.351 866 HD22 LEU 108 1HD2 LEU 108 -0.026 4.656 -4.603 867 HD23 LEU 108 2HD2 LEU 108 1.343 3.766 -5.265 868 H ALA 109 H ALA 109 5.691 3.167 -2.486 869 HA ALA 109 HA ALA 109 7.760 4.616 -3.816 870 HB1 ALA 109 1HB ALA 109 7.895 2.950 -1.324 871 HB2 ALA 109 2HB ALA 109 7.503 4.666 -1.392 872 HB3 ALA 109 3HB ALA 109 9.104 4.106 -1.885 873 H SER 110 H SER 110 6.651 1.452 -4.066 874 HA SER 110 HA SER 110 9.292 0.436 -4.905 875 HB2 SER 110 2HB SER 110 6.763 -1.057 -4.182 876 HB3 SER 110 1HB SER 110 8.293 -1.805 -4.629 877 HG SER 110 HG SER 110 7.615 -0.294 -2.357 878 H SER 111 H SER 111 7.332 2.127 -6.439 879 HA SER 111 HA SER 111 6.209 0.290 -8.369 880 HB2 SER 111 2HB SER 111 6.029 3.291 -8.247 881 HB3 SER 111 1HB SER 111 5.036 2.210 -9.227 882 HG SER 111 HG SER 111 4.909 1.377 -6.701 883 H LEU 112 H LEU 112 9.177 2.094 -8.168 884 HA LEU 112 HA LEU 112 9.244 2.131 -11.122 885 HB2 LEU 112 2HB LEU 112 10.196 4.308 -9.312 886 HB3 LEU 112 1HB LEU 112 10.505 4.255 -11.034 887 HG LEU 112 HG LEU 112 7.778 4.460 -9.744 888 HD11 LEU 112 1HD1 LEU 112 9.448 6.527 -11.168 889 HD12 LEU 112 2HD1 LEU 112 9.093 6.484 -9.441 890 HD13 LEU 112 3HD1 LEU 112 7.792 6.750 -10.601 891 HD21 LEU 112 3HD2 LEU 112 6.999 4.930 -12.029 892 HD22 LEU 112 1HD2 LEU 112 7.687 3.312 -11.897 893 HD23 LEU 112 2HD2 LEU 112 8.621 4.608 -12.643 894 H GLU 113 H GLU 113 11.088 1.570 -8.240 895 HA GLU 113 HA GLU 113 13.665 1.922 -9.290 896 HB2 GLU 113 2HB GLU 113 13.157 -0.141 -7.177 897 HB3 GLU 113 1HB GLU 113 14.534 0.920 -7.371 898 HG2 GLU 113 2HG GLU 113 13.481 1.775 -5.514 899 HG3 GLU 113 1HG GLU 113 12.832 2.797 -6.802 900 H HIS 114 H HIS 114 11.568 -0.913 -9.192 901 HA HIS 114 HA HIS 114 11.723 -3.000 -10.058 902 HB2 HIS 114 2HB HIS 114 13.698 -1.644 -11.920 903 HB3 HIS 114 1HB HIS 114 13.198 -3.318 -12.107 904 HD1 HIS 114 1HD HIS 114 12.037 0.191 -12.603 905 HD2 HIS 114 2HD HIS 114 10.611 -3.672 -13.062 906 HE1 HIS 114 1HE HIS 114 9.964 0.400 -13.966 907 HE2 HIS 114 2HE HIS 114 8.996 -1.913 -13.974 908 H HIS 115 H HIS 115 13.878 -4.546 -10.917 909 HA HIS 115 HA HIS 115 15.478 -5.880 -10.135 910 HB2 HIS 115 2HB HIS 115 16.571 -3.353 -8.861 911 HB3 HIS 115 1HB HIS 115 17.430 -4.882 -8.883 912 HD1 HIS 115 1HD HIS 115 18.390 -5.651 -11.208 913 HD2 HIS 115 2HD HIS 115 16.647 -1.877 -11.180 914 HE1 HIS 115 1HE HIS 115 19.115 -4.559 -13.334 915 HE2 HIS 115 2HE HIS 115 18.387 -2.174 -13.041 916 H HIS 116 H HIS 116 15.651 -3.908 -7.236 917 HA HIS 116 HA HIS 116 14.489 -6.181 -5.862 918 HB2 HIS 116 2HB HIS 116 15.883 -5.747 -3.882 919 HB3 HIS 116 1HB HIS 116 16.881 -6.016 -5.287 920 HD1 HIS 116 1HD HIS 116 15.926 -3.341 -2.800 921 HD2 HIS 116 2HD HIS 116 18.515 -3.871 -6.005 922 HE1 HIS 116 1HE HIS 116 17.504 -1.422 -2.703 923 HE2 HIS 116 2HE HIS 116 18.756 -1.569 -4.856 924 H HIS 117 H HIS 117 12.588 -5.763 -5.286 925 HA HIS 117 HA HIS 117 12.139 -3.680 -3.395 926 HB2 HIS 117 2HB HIS 117 10.056 -2.794 -4.423 927 HB3 HIS 117 1HB HIS 117 11.437 -2.474 -5.444 928 HD1 HIS 117 1HD HIS 117 8.045 -3.725 -5.543 929 HD2 HIS 117 2HD HIS 117 11.511 -4.337 -7.756 930 HE1 HIS 117 1HE HIS 117 7.285 -4.584 -7.743 931 HE2 HIS 117 2HE HIS 117 9.388 -5.202 -8.951 932 H HIS 118 H HIS 118 12.589 -6.283 -3.502 933 HA HIS 118 HA HIS 118 10.985 -7.478 -1.678 934 HB2 HIS 118 2HB HIS 118 10.395 -8.410 -4.507 935 HB3 HIS 118 1HB HIS 118 10.297 -9.526 -3.155 936 HD1 HIS 118 1HD HIS 118 8.160 -7.725 -5.172 937 HD2 HIS 118 2HD HIS 118 8.500 -8.071 -1.057 938 HE1 HIS 118 1HE HIS 118 5.924 -7.063 -4.256 939 HE2 HIS 118 2HE HIS 118 6.456 -6.768 -1.835 940 H HIS 119 H HIS 119 12.714 -8.125 -0.724 941 HA HIS 119 HA HIS 119 14.500 -9.984 -2.007 942 HB2 HIS 119 2HB HIS 119 15.462 -7.760 -2.524 943 HB3 HIS 119 1HB HIS 119 15.403 -7.344 -0.820 944 HD1 HIS 119 1HD HIS 119 17.250 -9.530 -3.256 945 HD2 HIS 119 2HD HIS 119 17.588 -8.163 0.641 946 HE1 HIS 119 1HE HIS 119 19.573 -10.137 -2.531 947 HE2 HIS 119 2HE HIS 119 19.676 -9.468 -0.114 Start of MODEL 13 1 H1 MET 1 1HT MET 1 1.728 -11.600 -10.585 2 H2 MET 1 2HT MET 1 1.082 -10.033 -10.447 3 H3 MET 1 3HT MET 1 0.074 -11.319 -10.795 4 HA MET 1 HA MET 1 0.434 -12.255 -8.650 5 HB2 MET 1 2HB MET 1 2.770 -11.365 -8.389 6 HB3 MET 1 1HB MET 1 2.100 -9.758 -8.169 7 HG2 MET 1 2HG MET 1 0.977 -10.514 -6.129 8 HG3 MET 1 1HG MET 1 1.652 -12.125 -6.348 9 HE1 MET 1 2HE MET 1 3.670 -10.866 -3.285 10 HE2 MET 1 3HE MET 1 2.736 -12.200 -3.966 11 HE3 MET 1 1HE MET 1 1.960 -10.651 -3.641 12 H PHE 2 H PHE 2 -1.126 -11.694 -7.108 13 HA PHE 2 HA PHE 2 -2.841 -9.501 -7.897 14 HB2 PHE 2 2HB PHE 2 -3.184 -11.585 -5.728 15 HB3 PHE 2 1HB PHE 2 -4.396 -10.413 -6.210 16 HD1 PHE 2 2HD PHE 2 -5.094 -10.532 -8.741 17 HD2 PHE 2 1HD PHE 2 -3.232 -13.707 -6.602 18 HE1 PHE 2 2HE PHE 2 -5.973 -12.153 -10.372 19 HE2 PHE 2 1HE PHE 2 -4.100 -15.320 -8.223 20 HZ PHE 2 HZ PHE 2 -5.478 -14.547 -10.113 21 H ALA 3 H ALA 3 -3.495 -7.890 -6.457 22 HA ALA 3 HA ALA 3 -1.950 -7.587 -3.992 23 HB1 ALA 3 1HB ALA 3 -0.963 -6.092 -5.671 24 HB2 ALA 3 2HB ALA 3 -1.791 -5.163 -4.422 25 HB3 ALA 3 3HB ALA 3 -2.550 -5.397 -5.998 26 H VAL 4 H VAL 4 -3.390 -7.712 -2.452 27 HA VAL 4 HA VAL 4 -6.164 -7.023 -3.040 28 HB VAL 4 HB VAL 4 -5.022 -8.441 -0.608 29 HG11 VAL 4 1HG1 VAL 4 -7.139 -7.314 -0.121 30 HG12 VAL 4 2HG1 VAL 4 -7.344 -9.064 -0.117 31 HG13 VAL 4 3HG1 VAL 4 -7.892 -8.118 -1.499 32 HG21 VAL 4 3HG2 VAL 4 -5.933 -10.489 -1.562 33 HG22 VAL 4 1HG2 VAL 4 -4.751 -9.770 -2.649 34 HG23 VAL 4 2HG2 VAL 4 -6.479 -9.610 -2.982 35 H ILE 5 H ILE 5 -7.061 -5.301 -2.277 36 HA ILE 5 HA ILE 5 -5.479 -3.476 -0.666 37 HB ILE 5 HB ILE 5 -8.193 -3.052 -1.962 38 HG12 ILE 5 2HG1 ILE 5 -5.456 -2.265 -3.007 39 HG13 ILE 5 1HG1 ILE 5 -6.400 -3.621 -3.612 40 HG21 ILE 5 1HG2 ILE 5 -6.133 -1.111 -0.908 41 HG22 ILE 5 2HG2 ILE 5 -7.673 -1.506 -0.140 42 HG23 ILE 5 3HG2 ILE 5 -7.651 -0.679 -1.701 43 HD11 ILE 5 3HD1 ILE 5 -7.210 -0.721 -3.720 44 HD12 ILE 5 1HD1 ILE 5 -8.139 -2.082 -4.347 45 HD13 ILE 5 2HD1 ILE 5 -6.579 -1.672 -5.065 46 H SER 6 H SER 6 -5.806 -3.391 1.501 47 HA SER 6 HA SER 6 -8.123 -4.677 2.634 48 HB2 SER 6 2HB SER 6 -5.901 -3.119 3.990 49 HB3 SER 6 1HB SER 6 -7.089 -4.155 4.783 50 HG SER 6 HG SER 6 -5.738 -5.332 2.733 51 HA PRO 7 HA PRO 7 -10.813 -1.115 2.872 52 HB2 PRO 7 2HB PRO 7 -11.233 -1.961 5.703 53 HB3 PRO 7 1HB PRO 7 -12.426 -1.574 4.458 54 HG2 PRO 7 2HG PRO 7 -11.959 -4.109 5.027 55 HG3 PRO 7 1HG PRO 7 -12.105 -3.599 3.336 56 HD2 PRO 7 2HD PRO 7 -9.629 -4.226 4.905 57 HD3 PRO 7 1HD PRO 7 -10.059 -4.645 3.230 58 H SER 8 H SER 8 -8.141 -1.413 5.006 59 HA SER 8 HA SER 8 -8.209 1.025 6.408 60 HB2 SER 8 2HB SER 8 -5.731 -0.134 5.233 61 HB3 SER 8 1HB SER 8 -5.997 0.527 6.851 62 HG SER 8 HG SER 8 -7.396 -1.417 7.166 63 H ALA 9 H ALA 9 -7.019 0.062 3.195 64 HA ALA 9 HA ALA 9 -5.794 2.619 2.660 65 HB1 ALA 9 1HB ALA 9 -4.678 0.536 2.046 66 HB2 ALA 9 2HB ALA 9 -4.993 1.534 0.625 67 HB3 ALA 9 3HB ALA 9 -6.011 0.135 0.968 68 H PHE 10 H PHE 10 -8.773 2.227 2.804 69 HA PHE 10 HA PHE 10 -9.729 2.673 0.169 70 HB2 PHE 10 2HB PHE 10 -10.983 2.747 2.870 71 HB3 PHE 10 1HB PHE 10 -11.828 3.477 1.510 72 HD1 PHE 10 2HD PHE 10 -9.671 0.562 1.024 73 HD2 PHE 10 1HD PHE 10 -13.637 1.920 1.673 74 HE1 PHE 10 2HE PHE 10 -10.524 -1.628 0.338 75 HE2 PHE 10 1HE PHE 10 -14.494 -0.261 0.984 76 HZ PHE 10 HZ PHE 10 -12.955 -2.035 0.320 77 H GLY 11 H GLY 11 -10.603 4.499 -0.700 78 HA2 GLY 11 2HA GLY 11 -10.772 6.785 -1.078 79 HA3 GLY 11 1HA GLY 11 -9.935 7.079 0.445 80 H LYS 12 H LYS 12 -7.771 5.320 -0.067 81 HA LYS 12 HA LYS 12 -6.065 6.966 -1.745 82 HB2 LYS 12 2HB LYS 12 -5.522 4.534 -0.047 83 HB3 LYS 12 1HB LYS 12 -4.306 5.580 -0.755 84 HG2 LYS 12 2HG LYS 12 -6.357 6.520 1.241 85 HG3 LYS 12 1HG LYS 12 -4.772 5.920 1.707 86 HD2 LYS 12 2HD LYS 12 -5.247 8.246 -0.166 87 HD3 LYS 12 1HD LYS 12 -4.941 8.409 1.563 88 HE2 LYS 12 2HE LYS 12 -2.758 7.462 1.332 89 HE3 LYS 12 1HE LYS 12 -3.041 7.049 -0.356 90 HZ1 LYS 12 3HZ LYS 12 -1.715 9.051 -0.152 91 HZ2 LYS 12 1HZ LYS 12 -2.955 9.801 0.737 92 HZ3 LYS 12 2HZ LYS 12 -3.217 9.358 -0.871 93 H LEU 13 H LEU 13 -8.086 4.512 -2.190 94 HA LEU 13 HA LEU 13 -7.037 2.346 -3.494 95 HB2 LEU 13 2HB LEU 13 -9.506 3.851 -4.340 96 HB3 LEU 13 1HB LEU 13 -9.137 2.185 -4.723 97 HG LEU 13 HG LEU 13 -9.680 3.260 -1.955 98 HD11 LEU 13 1HD1 LEU 13 -11.405 1.621 -3.808 99 HD12 LEU 13 2HD1 LEU 13 -11.673 3.302 -3.350 100 HD13 LEU 13 3HD1 LEU 13 -11.787 2.029 -2.137 101 HD21 LEU 13 3HD2 LEU 13 -9.797 0.888 -1.336 102 HD22 LEU 13 1HD2 LEU 13 -8.198 1.350 -1.921 103 HD23 LEU 13 2HD2 LEU 13 -9.298 0.452 -2.971 104 H LYS 14 H LYS 14 -7.887 5.420 -4.937 105 HA LYS 14 HA LYS 14 -7.285 4.593 -7.592 106 HB2 LYS 14 2HB LYS 14 -7.950 7.285 -6.429 107 HB3 LYS 14 1HB LYS 14 -7.900 6.907 -8.150 108 HG2 LYS 14 2HG LYS 14 -9.716 5.427 -8.004 109 HG3 LYS 14 1HG LYS 14 -9.610 5.346 -6.253 110 HD2 LYS 14 2HD LYS 14 -11.518 6.653 -6.890 111 HD3 LYS 14 1HD LYS 14 -10.321 7.701 -6.140 112 HE2 LYS 14 2HE LYS 14 -9.652 8.502 -8.320 113 HE3 LYS 14 1HE LYS 14 -10.776 7.378 -9.100 114 HZ1 LYS 14 3HZ LYS 14 -12.569 8.478 -7.857 115 HZ2 LYS 14 1HZ LYS 14 -11.817 9.514 -8.969 116 HZ3 LYS 14 2HZ LYS 14 -11.460 9.648 -7.328 117 H GLU 15 H GLU 15 -5.464 6.048 -5.059 118 HA GLU 15 HA GLU 15 -3.484 7.211 -6.760 119 HB2 GLU 15 2HB GLU 15 -3.558 6.645 -3.805 120 HB3 GLU 15 1HB GLU 15 -2.147 7.330 -4.598 121 HG2 GLU 15 2HG GLU 15 -3.361 9.233 -5.265 122 HG3 GLU 15 1HG GLU 15 -4.889 8.578 -4.652 123 H ILE 16 H ILE 16 -3.610 4.350 -4.678 124 HA ILE 16 HA ILE 16 -1.070 3.407 -5.450 125 HB ILE 16 HB ILE 16 -1.788 1.184 -4.525 126 HG12 ILE 16 2HG1 ILE 16 -4.388 2.643 -3.937 127 HG13 ILE 16 1HG1 ILE 16 -4.196 1.319 -5.076 128 HG21 ILE 16 1HG2 ILE 16 -1.938 1.958 -2.210 129 HG22 ILE 16 2HG2 ILE 16 -2.292 3.583 -2.791 130 HG23 ILE 16 3HG2 ILE 16 -0.723 2.850 -3.129 131 HD11 ILE 16 3HD1 ILE 16 -3.814 1.161 -2.095 132 HD12 ILE 16 1HD1 ILE 16 -3.640 -0.181 -3.225 133 HD13 ILE 16 2HD1 ILE 16 -5.213 0.583 -2.996 134 H LEU 17 H LEU 17 -4.269 2.747 -6.695 135 HA LEU 17 HA LEU 17 -3.579 0.718 -8.496 136 HB2 LEU 17 2HB LEU 17 -5.833 1.096 -7.762 137 HB3 LEU 17 1HB LEU 17 -5.828 2.704 -8.442 138 HG LEU 17 HG LEU 17 -5.796 1.752 -10.706 139 HD11 LEU 17 1HD1 LEU 17 -6.164 -0.635 -11.043 140 HD12 LEU 17 2HD1 LEU 17 -5.995 -0.915 -9.310 141 HD13 LEU 17 3HD1 LEU 17 -4.618 -0.339 -10.247 142 HD21 LEU 17 3HD2 LEU 17 -7.946 0.754 -8.861 143 HD22 LEU 17 1HD2 LEU 17 -8.052 0.769 -10.621 144 HD23 LEU 17 2HD2 LEU 17 -7.902 2.288 -9.736 145 H GLY 18 H GLY 18 -4.101 4.228 -9.063 146 HA2 GLY 18 2HA GLY 18 -3.470 3.975 -11.831 147 HA3 GLY 18 1HA GLY 18 -3.740 5.471 -10.954 148 H SER 19 H SER 19 -1.582 4.918 -9.016 149 HA SER 19 HA SER 19 0.480 6.024 -10.674 150 HB2 SER 19 2HB SER 19 0.647 5.345 -7.731 151 HB3 SER 19 1HB SER 19 1.689 6.435 -8.643 152 HG SER 19 HG SER 19 -0.956 6.743 -7.834 153 H ASN 20 H ASN 20 0.235 3.122 -8.582 154 HA ASN 20 HA ASN 20 2.843 2.306 -9.415 155 HB2 ASN 20 2HB ASN 20 2.073 1.789 -7.142 156 HB3 ASN 20 1HB ASN 20 0.805 0.765 -7.802 157 HD21 ASN 20 1HD2 ASN 20 1.612 -1.048 -6.720 158 HD22 ASN 20 2HD2 ASN 20 3.065 -1.838 -7.238 159 H LYS 21 H LYS 21 -0.412 0.859 -9.847 160 HA LYS 21 HA LYS 21 -1.186 -0.703 -11.304 161 HB2 LYS 21 2HB LYS 21 1.016 0.442 -13.052 162 HB3 LYS 21 1HB LYS 21 -0.270 -0.601 -13.651 163 HG2 LYS 21 2HG LYS 21 -1.927 1.091 -13.103 164 HG3 LYS 21 1HG LYS 21 -0.678 2.114 -12.395 165 HD2 LYS 21 2HD LYS 21 -0.763 1.249 -15.286 166 HD3 LYS 21 1HD LYS 21 -1.359 2.794 -14.686 167 HE2 LYS 21 2HE LYS 21 1.504 1.815 -14.505 168 HE3 LYS 21 1HE LYS 21 0.881 2.992 -15.652 169 HZ1 LYS 21 3HZ LYS 21 1.162 3.357 -12.697 170 HZ2 LYS 21 1HZ LYS 21 0.256 4.381 -13.691 171 HZ3 LYS 21 2HZ LYS 21 1.884 4.214 -13.946 172 H ASN 22 H ASN 22 0.308 -2.322 -13.197 173 HA ASN 22 HA ASN 22 1.757 -4.016 -13.480 174 HB2 ASN 22 2HB ASN 22 3.551 -2.497 -12.758 175 HB3 ASN 22 1HB ASN 22 3.230 -2.883 -11.077 176 HD21 ASN 22 1HD2 ASN 22 4.058 -4.777 -10.230 177 HD22 ASN 22 2HD2 ASN 22 5.164 -5.789 -11.076 178 H TYR 23 H TYR 23 -0.013 -3.735 -10.668 179 HA TYR 23 HA TYR 23 0.233 -6.629 -10.176 180 HB2 TYR 23 2HB TYR 23 -0.535 -4.382 -8.321 181 HB3 TYR 23 1HB TYR 23 -0.906 -6.056 -7.971 182 HD1 TYR 23 2HD TYR 23 0.889 -7.625 -7.425 183 HD2 TYR 23 1HD TYR 23 1.694 -3.500 -8.069 184 HE1 TYR 23 2HE TYR 23 3.049 -7.882 -6.290 185 HE2 TYR 23 1HE TYR 23 3.860 -3.741 -6.925 186 HH TYR 23 HH TYR 23 4.873 -5.215 -5.280 187 H LYS 24 H LYS 24 -1.733 -7.757 -9.812 188 HA LYS 24 HA LYS 24 -4.007 -6.454 -11.039 189 HB2 LYS 24 2HB LYS 24 -3.480 -8.797 -11.731 190 HB3 LYS 24 1HB LYS 24 -3.693 -9.319 -10.070 191 HG2 LYS 24 2HG LYS 24 -5.705 -9.930 -11.049 192 HG3 LYS 24 1HG LYS 24 -6.096 -8.383 -10.316 193 HD2 LYS 24 2HD LYS 24 -5.473 -8.876 -13.242 194 HD3 LYS 24 1HD LYS 24 -7.072 -8.613 -12.567 195 HE2 LYS 24 2HE LYS 24 -6.293 -6.309 -11.878 196 HE3 LYS 24 1HE LYS 24 -4.795 -6.645 -12.752 197 HZ1 LYS 24 3HZ LYS 24 -6.113 -6.950 -14.776 198 HZ2 LYS 24 1HZ LYS 24 -6.273 -5.402 -14.127 199 HZ3 LYS 24 2HZ LYS 24 -7.504 -6.513 -13.921 200 H PHE 25 H PHE 25 -4.923 -5.142 -9.679 201 HA PHE 25 HA PHE 25 -4.858 -5.569 -6.873 202 HB2 PHE 25 2HB PHE 25 -6.154 -3.493 -8.600 203 HB3 PHE 25 1HB PHE 25 -6.293 -3.464 -6.834 204 HD1 PHE 25 1HD PHE 25 -4.034 -3.131 -9.718 205 HD2 PHE 25 2HD PHE 25 -4.440 -2.706 -5.514 206 HE1 PHE 25 1HE PHE 25 -1.916 -1.874 -9.651 207 HE2 PHE 25 2HE PHE 25 -2.324 -1.449 -5.433 208 HZ PHE 25 HZ PHE 25 -1.058 -1.032 -7.504 209 H VAL 26 H VAL 26 -6.332 -6.267 -5.560 210 HA VAL 26 HA VAL 26 -8.877 -7.265 -6.641 211 HB VAL 26 HB VAL 26 -7.101 -8.583 -4.574 212 HG11 VAL 26 1HG1 VAL 26 -9.437 -9.068 -4.189 213 HG12 VAL 26 2HG1 VAL 26 -8.608 -10.510 -4.773 214 HG13 VAL 26 3HG1 VAL 26 -9.635 -9.580 -5.864 215 HG21 VAL 26 3HG2 VAL 26 -7.575 -9.381 -7.442 216 HG22 VAL 26 1HG2 VAL 26 -6.700 -10.343 -6.250 217 HG23 VAL 26 2HG2 VAL 26 -6.071 -8.773 -6.755 218 H ILE 27 H ILE 27 -10.604 -6.905 -5.353 219 HA ILE 27 HA ILE 27 -10.146 -5.855 -2.679 220 HB ILE 27 HB ILE 27 -10.835 -4.021 -4.269 221 HG12 ILE 27 2HG1 ILE 27 -12.626 -3.078 -2.905 222 HG13 ILE 27 1HG1 ILE 27 -12.934 -4.660 -2.179 223 HG21 ILE 27 1HG2 ILE 27 -12.193 -5.321 -5.797 224 HG22 ILE 27 2HG2 ILE 27 -13.114 -3.962 -5.155 225 HG23 ILE 27 3HG2 ILE 27 -13.385 -5.590 -4.527 226 HD11 ILE 27 3HD1 ILE 27 -11.664 -3.213 -0.703 227 HD12 ILE 27 1HD1 ILE 27 -10.422 -3.016 -1.935 228 HD13 ILE 27 2HD1 ILE 27 -10.690 -4.592 -1.188 229 H THR 28 H THR 28 -11.990 -6.420 -1.195 230 HA THR 28 HA THR 28 -12.961 -9.025 -2.000 231 HB THR 28 HB THR 28 -13.211 -9.414 0.404 232 HG1 THR 28 1HG THR 28 -13.200 -7.878 1.675 233 HG21 THR 28 3HG2 THR 28 -11.047 -9.860 -0.754 234 HG22 THR 28 1HG2 THR 28 -10.873 -9.474 0.961 235 HG23 THR 28 2HG2 THR 28 -10.506 -8.255 -0.255 236 H THR 29 H THR 29 -15.068 -9.622 -0.625 237 HA THR 29 HA THR 29 -17.218 -8.275 -1.723 238 HB THR 29 HB THR 29 -18.014 -9.827 0.486 239 HG1 THR 29 1HG THR 29 -16.130 -10.850 0.802 240 HG21 THR 29 3HG2 THR 29 -17.665 -10.540 -2.437 241 HG22 THR 29 1HG2 THR 29 -19.086 -9.778 -1.725 242 HG23 THR 29 2HG2 THR 29 -18.650 -11.429 -1.278 243 H LEU 30 H LEU 30 -15.942 -8.337 1.645 244 HA LEU 30 HA LEU 30 -17.935 -6.485 2.523 245 HB2 LEU 30 2HB LEU 30 -15.379 -7.398 3.856 246 HB3 LEU 30 1HB LEU 30 -16.632 -6.445 4.622 247 HG LEU 30 HG LEU 30 -16.940 -9.282 3.638 248 HD11 LEU 30 1HD1 LEU 30 -17.104 -9.845 6.014 249 HD12 LEU 30 2HD1 LEU 30 -16.738 -8.168 6.430 250 HD13 LEU 30 3HD1 LEU 30 -15.536 -9.158 5.600 251 HD21 LEU 30 3HD2 LEU 30 -19.035 -8.042 3.464 252 HD22 LEU 30 1HD2 LEU 30 -18.871 -7.507 5.138 253 HD23 LEU 30 2HD2 LEU 30 -19.108 -9.219 4.771 254 H GLY 31 H GLY 31 -14.830 -6.388 1.127 255 HA2 GLY 31 2HA GLY 31 -14.020 -3.786 1.779 256 HA3 GLY 31 1HA GLY 31 -13.564 -4.663 0.319 257 H VAL 32 H VAL 32 -15.706 -4.930 -1.169 258 HA VAL 32 HA VAL 32 -16.194 -2.323 -2.103 259 HB VAL 32 HB VAL 32 -17.875 -3.251 -3.661 260 HG11 VAL 32 1HG1 VAL 32 -15.538 -3.381 -4.266 261 HG12 VAL 32 2HG1 VAL 32 -16.417 -4.782 -4.877 262 HG13 VAL 32 3HG1 VAL 32 -15.397 -4.935 -3.448 263 HG21 VAL 32 3HG2 VAL 32 -18.352 -5.662 -3.719 264 HG22 VAL 32 1HG2 VAL 32 -18.925 -4.922 -2.223 265 HG23 VAL 32 2HG2 VAL 32 -17.438 -5.872 -2.226 266 H SER 33 H SER 33 -18.019 -4.314 0.076 267 HA SER 33 HA SER 33 -20.375 -2.745 0.081 268 HB2 SER 33 2HB SER 33 -19.293 -4.569 2.244 269 HB3 SER 33 1HB SER 33 -20.957 -4.002 2.104 270 HG SER 33 HG SER 33 -19.538 -5.770 0.388 271 H PHE 34 H PHE 34 -17.375 -2.644 1.961 272 HA PHE 34 HA PHE 34 -18.225 -0.671 3.794 273 HB2 PHE 34 2HB PHE 34 -16.324 -2.188 4.254 274 HB3 PHE 34 1HB PHE 34 -15.417 -1.445 2.947 275 HD1 PHE 34 2HD PHE 34 -17.099 -0.604 6.161 276 HD2 PHE 34 1HD PHE 34 -13.978 0.309 3.422 277 HE1 PHE 34 2HE PHE 34 -16.192 1.049 7.743 278 HE2 PHE 34 1HE PHE 34 -13.070 1.958 4.996 279 HZ PHE 34 HZ PHE 34 -14.178 2.329 7.157 280 H ALA 35 H ALA 35 -16.701 -0.606 0.655 281 HA ALA 35 HA ALA 35 -16.097 2.150 0.575 282 HB1 ALA 35 1HB ALA 35 -16.738 0.304 -1.728 283 HB2 ALA 35 2HB ALA 35 -15.143 0.534 -1.013 284 HB3 ALA 35 3HB ALA 35 -15.939 1.872 -1.842 285 H ILE 36 H ILE 36 -18.932 0.320 -0.468 286 HA ILE 36 HA ILE 36 -20.398 2.440 -1.551 287 HB ILE 36 HB ILE 36 -21.484 -0.025 -0.153 288 HG12 ILE 36 2HG1 ILE 36 -20.060 -0.624 -2.048 289 HG13 ILE 36 1HG1 ILE 36 -21.743 -0.968 -2.420 290 HG21 ILE 36 1HG2 ILE 36 -23.208 1.678 -0.312 291 HG22 ILE 36 2HG2 ILE 36 -23.555 0.354 -1.425 292 HG23 ILE 36 3HG2 ILE 36 -22.893 1.867 -2.038 293 HD11 ILE 36 3HD1 ILE 36 -21.850 1.078 -3.766 294 HD12 ILE 36 1HD1 ILE 36 -20.597 -0.024 -4.337 295 HD13 ILE 36 2HD1 ILE 36 -20.154 1.399 -3.399 296 H LYS 37 H LYS 37 -20.556 1.135 1.769 297 HA LYS 37 HA LYS 37 -22.461 3.038 2.640 298 HB2 LYS 37 2HB LYS 37 -21.944 2.336 4.944 299 HB3 LYS 37 1HB LYS 37 -22.188 0.978 3.854 300 HG2 LYS 37 2HG LYS 37 -19.885 0.502 3.775 301 HG3 LYS 37 1HG LYS 37 -19.467 1.999 4.594 302 HD2 LYS 37 2HD LYS 37 -19.239 0.124 6.130 303 HD3 LYS 37 1HD LYS 37 -20.558 1.153 6.651 304 HE2 LYS 37 2HE LYS 37 -20.975 -1.363 5.033 305 HE3 LYS 37 1HE LYS 37 -20.919 -1.365 6.787 306 HZ1 LYS 37 3HZ LYS 37 -22.967 -0.005 5.079 307 HZ2 LYS 37 1HZ LYS 37 -22.837 0.181 6.757 308 HZ3 LYS 37 2HZ LYS 37 -23.158 -1.309 6.090 309 H SER 38 H SER 38 -18.995 3.235 2.446 310 HA SER 38 HA SER 38 -18.911 5.539 4.169 311 HB2 SER 38 2HB SER 38 -16.735 4.259 2.517 312 HB3 SER 38 1HB SER 38 -16.505 5.464 3.787 313 HG SER 38 HG SER 38 -17.118 2.770 3.943 314 H GLY 39 H GLY 39 -19.840 5.087 1.039 315 HA2 GLY 39 2HA GLY 39 -20.333 6.610 -0.594 316 HA3 GLY 39 1HA GLY 39 -19.748 7.878 0.475 317 H ILE 40 H ILE 40 -18.029 5.062 -0.765 318 HA ILE 40 HA ILE 40 -16.025 6.889 -1.919 319 HB ILE 40 HB ILE 40 -15.711 4.020 -0.968 320 HG12 ILE 40 2HG1 ILE 40 -14.724 6.588 0.281 321 HG13 ILE 40 1HG1 ILE 40 -16.081 5.637 0.864 322 HG21 ILE 40 1HG2 ILE 40 -13.297 4.394 -1.274 323 HG22 ILE 40 2HG2 ILE 40 -13.631 6.003 -1.917 324 HG23 ILE 40 3HG2 ILE 40 -14.173 4.573 -2.795 325 HD11 ILE 40 3HD1 ILE 40 -14.099 5.244 2.184 326 HD12 ILE 40 1HD1 ILE 40 -13.216 4.763 0.734 327 HD13 ILE 40 2HD1 ILE 40 -14.566 3.782 1.313 328 H ASP 41 H ASP 41 -15.472 6.710 -3.976 329 HA ASP 41 HA ASP 41 -17.206 5.234 -5.668 330 HB2 ASP 41 2HB ASP 41 -15.950 6.300 -7.530 331 HB3 ASP 41 1HB ASP 41 -16.587 7.462 -6.382 332 H ILE 42 H ILE 42 -16.875 3.156 -5.299 333 HA ILE 42 HA ILE 42 -14.240 1.996 -5.497 334 HB ILE 42 HB ILE 42 -15.869 1.079 -3.877 335 HG12 ILE 42 2HG1 ILE 42 -15.676 -1.341 -4.418 336 HG13 ILE 42 1HG1 ILE 42 -15.094 -0.904 -6.023 337 HG21 ILE 42 1HG2 ILE 42 -17.771 -0.294 -4.609 338 HG22 ILE 42 2HG2 ILE 42 -17.493 0.253 -6.264 339 HG23 ILE 42 3HG2 ILE 42 -17.938 1.414 -5.012 340 HD11 ILE 42 3HD1 ILE 42 -13.270 -1.502 -4.525 341 HD12 ILE 42 1HD1 ILE 42 -13.765 -0.234 -3.405 342 HD13 ILE 42 2HD1 ILE 42 -13.156 0.191 -5.008 343 H ASP 43 H ASP 43 -16.877 2.668 -7.496 344 HA ASP 43 HA ASP 43 -16.580 0.762 -9.525 345 HB2 ASP 43 2HB ASP 43 -17.922 2.223 -10.942 346 HB3 ASP 43 1HB ASP 43 -18.579 2.191 -9.313 347 H SER 44 H SER 44 -14.914 3.776 -8.934 348 HA SER 44 HA SER 44 -13.639 4.089 -11.406 349 HB2 SER 44 2HB SER 44 -12.634 4.861 -8.670 350 HB3 SER 44 1HB SER 44 -12.179 5.591 -10.212 351 HG SER 44 HG SER 44 -13.940 6.519 -8.740 352 H ALA 45 H ALA 45 -12.911 2.151 -8.598 353 HA ALA 45 HA ALA 45 -10.254 1.469 -9.442 354 HB1 ALA 45 1HB ALA 45 -10.822 1.584 -7.054 355 HB2 ALA 45 2HB ALA 45 -10.288 -0.036 -7.488 356 HB3 ALA 45 3HB ALA 45 -12.005 0.296 -7.268 357 H LEU 46 H LEU 46 -13.389 -0.108 -9.202 358 HA LEU 46 HA LEU 46 -12.753 -2.600 -10.271 359 HB2 LEU 46 2HB LEU 46 -15.326 -1.049 -10.519 360 HB3 LEU 46 1HB LEU 46 -15.151 -2.765 -10.806 361 HG LEU 46 HG LEU 46 -14.797 -1.365 -8.159 362 HD11 LEU 46 1HD1 LEU 46 -16.966 -3.201 -9.153 363 HD12 LEU 46 2HD1 LEU 46 -17.112 -1.468 -8.852 364 HD13 LEU 46 3HD1 LEU 46 -16.820 -2.575 -7.512 365 HD21 LEU 46 3HD2 LEU 46 -14.650 -3.636 -7.214 366 HD22 LEU 46 1HD2 LEU 46 -13.315 -3.289 -8.311 367 HD23 LEU 46 2HD2 LEU 46 -14.646 -4.303 -8.850 368 H ASP 47 H ASP 47 -13.789 0.362 -11.854 369 HA ASP 47 HA ASP 47 -13.958 -0.498 -14.498 370 HB2 ASP 47 2HB ASP 47 -14.782 1.672 -13.850 371 HB3 ASP 47 1HB ASP 47 -13.168 2.188 -13.379 372 H ARG 48 H ARG 48 -11.166 0.662 -12.680 373 HA ARG 48 HA ARG 48 -9.495 0.493 -14.996 374 HB2 ARG 48 2HB ARG 48 -9.033 1.284 -12.184 375 HB3 ARG 48 1HB ARG 48 -7.646 0.976 -13.239 376 HG2 ARG 48 2HG ARG 48 -8.426 2.694 -14.757 377 HG3 ARG 48 1HG ARG 48 -9.866 2.942 -13.768 378 HD2 ARG 48 2HD ARG 48 -8.514 3.676 -11.923 379 HD3 ARG 48 1HD ARG 48 -7.038 3.327 -12.814 380 HE ARG 48 HE ARG 48 -7.311 5.206 -14.069 381 HH11 ARG 48 1HH1 ARG 48 -10.278 4.743 -12.187 382 HH12 ARG 48 2HH1 ARG 48 -10.805 6.363 -12.317 383 HH21 ARG 48 1HH2 ARG 48 -8.002 7.425 -14.244 384 HH22 ARG 48 2HH2 ARG 48 -9.429 7.952 -13.480 385 H GLY 49 H GLY 49 -10.633 -1.828 -12.984 386 HA2 GLY 49 2HA GLY 49 -10.118 -4.038 -13.901 387 HA3 GLY 49 1HA GLY 49 -8.439 -3.555 -13.937 388 H VAL 50 H VAL 50 -10.331 -2.742 -11.152 389 HA VAL 50 HA VAL 50 -8.826 -4.679 -9.614 390 HB VAL 50 HB VAL 50 -10.853 -2.581 -8.713 391 HG11 VAL 50 1HG1 VAL 50 -9.053 -4.342 -7.042 392 HG12 VAL 50 2HG1 VAL 50 -10.807 -4.484 -7.168 393 HG13 VAL 50 3HG1 VAL 50 -10.091 -3.051 -6.433 394 HG21 VAL 50 3HG2 VAL 50 -7.852 -2.675 -8.508 395 HG22 VAL 50 1HG2 VAL 50 -8.875 -1.438 -7.789 396 HG23 VAL 50 2HG2 VAL 50 -8.792 -1.607 -9.543 397 H ILE 51 H ILE 51 -9.591 -6.576 -8.999 398 HA ILE 51 HA ILE 51 -12.331 -7.215 -9.822 399 HB ILE 51 HB ILE 51 -11.631 -9.611 -9.731 400 HG12 ILE 51 2HG1 ILE 51 -8.851 -8.464 -9.339 401 HG13 ILE 51 1HG1 ILE 51 -9.767 -9.336 -8.116 402 HG21 ILE 51 1HG2 ILE 51 -11.633 -8.409 -11.841 403 HG22 ILE 51 2HG2 ILE 51 -10.291 -9.552 -11.792 404 HG23 ILE 51 3HG2 ILE 51 -9.994 -7.832 -11.537 405 HD11 ILE 51 3HD1 ILE 51 -9.690 -11.346 -9.477 406 HD12 ILE 51 1HD1 ILE 51 -8.067 -10.740 -9.158 407 HD13 ILE 51 2HD1 ILE 51 -8.813 -10.475 -10.736 408 H VAL 52 H VAL 52 -13.685 -8.494 -8.512 409 HA VAL 52 HA VAL 52 -13.217 -8.030 -5.665 410 HB VAL 52 HB VAL 52 -15.797 -8.864 -7.032 411 HG11 VAL 52 1HG1 VAL 52 -15.737 -9.433 -4.683 412 HG12 VAL 52 2HG1 VAL 52 -16.885 -8.123 -4.967 413 HG13 VAL 52 3HG1 VAL 52 -15.304 -7.775 -4.269 414 HG21 VAL 52 3HG2 VAL 52 -15.131 -6.672 -7.861 415 HG22 VAL 52 1HG2 VAL 52 -14.934 -6.091 -6.210 416 HG23 VAL 52 2HG2 VAL 52 -16.536 -6.532 -6.805 417 H ARG 53 H ARG 53 -12.666 -9.694 -4.466 418 HA ARG 53 HA ARG 53 -13.310 -12.408 -5.406 419 HB2 ARG 53 2HB ARG 53 -10.921 -12.018 -5.624 420 HB3 ARG 53 1HB ARG 53 -10.851 -11.419 -3.979 421 HG2 ARG 53 2HG ARG 53 -9.899 -13.637 -4.095 422 HG3 ARG 53 1HG ARG 53 -11.372 -13.657 -3.136 423 HD2 ARG 53 2HD ARG 53 -12.594 -14.603 -5.026 424 HD3 ARG 53 1HD ARG 53 -11.130 -14.539 -6.016 425 HE ARG 53 HE ARG 53 -10.247 -15.976 -4.002 426 HH11 ARG 53 1HH1 ARG 53 -13.277 -16.409 -5.823 427 HH12 ARG 53 2HH1 ARG 53 -13.398 -18.048 -5.371 428 HH21 ARG 53 1HH2 ARG 53 -10.474 -18.160 -3.460 429 HH22 ARG 53 2HH2 ARG 53 -11.841 -19.052 -4.007 430 H ALA 54 H ALA 54 -14.580 -13.477 -4.075 431 HA ALA 54 HA ALA 54 -14.957 -12.548 -1.339 432 HB1 ALA 54 1HB ALA 54 -16.952 -12.889 -2.707 433 HB2 ALA 54 2HB ALA 54 -16.914 -14.047 -1.374 434 HB3 ALA 54 3HB ALA 54 -16.475 -14.560 -3.005 435 H PHE 55 H PHE 55 -14.761 -14.016 0.402 436 HA PHE 55 HA PHE 55 -12.668 -15.965 -0.023 437 HB2 PHE 55 2HB PHE 55 -12.596 -14.289 1.837 438 HB3 PHE 55 1HB PHE 55 -14.011 -15.052 2.538 439 HD1 PHE 55 2HD PHE 55 -10.749 -16.300 1.193 440 HD2 PHE 55 1HD PHE 55 -13.489 -16.198 4.445 441 HE1 PHE 55 2HE PHE 55 -9.271 -17.789 2.487 442 HE2 PHE 55 1HE PHE 55 -12.015 -17.674 5.738 443 HZ PHE 55 HZ PHE 55 -9.900 -18.471 4.759 444 H SER 56 H SER 56 -13.190 -17.993 -0.540 445 HA SER 56 HA SER 56 -15.828 -18.968 -0.558 446 HB2 SER 56 2HB SER 56 -13.334 -20.613 -0.908 447 HB3 SER 56 1HB SER 56 -14.904 -20.807 -1.679 448 HG SER 56 HG SER 56 -14.557 -18.910 -2.809 449 H HIS 57 H HIS 57 -13.293 -19.196 1.762 450 HA HIS 57 HA HIS 57 -14.413 -21.515 3.136 451 HB2 HIS 57 2HB HIS 57 -11.926 -21.134 2.963 452 HB3 HIS 57 1HB HIS 57 -12.112 -19.704 3.960 453 HD1 HIS 57 1HD HIS 57 -12.583 -20.140 6.558 454 HD2 HIS 57 2HD HIS 57 -11.867 -23.523 4.275 455 HE1 HIS 57 1HE HIS 57 -12.139 -21.966 8.199 456 HE2 HIS 57 2HE HIS 57 -11.932 -24.038 6.825 457 H LYS 58 H LYS 58 -15.097 -21.348 5.417 458 HA LYS 58 HA LYS 58 -16.712 -19.131 5.998 459 HB2 LYS 58 2HB LYS 58 -15.601 -21.278 7.801 460 HB3 LYS 58 1HB LYS 58 -16.712 -20.040 8.358 461 HG2 LYS 58 2HG LYS 58 -18.373 -20.847 6.717 462 HG3 LYS 58 1HG LYS 58 -17.249 -22.135 6.268 463 HD2 LYS 58 2HD LYS 58 -17.289 -22.983 8.563 464 HD3 LYS 58 1HD LYS 58 -18.372 -21.677 9.033 465 HE2 LYS 58 2HE LYS 58 -18.997 -23.815 7.007 466 HE3 LYS 58 1HE LYS 58 -19.545 -23.806 8.677 467 HZ1 LYS 58 3HZ LYS 58 -21.205 -23.025 7.130 468 HZ2 LYS 58 1HZ LYS 58 -20.238 -21.733 6.653 469 HZ3 LYS 58 2HZ LYS 58 -20.829 -21.838 8.250 470 HA PRO 59 HA PRO 59 -14.015 -15.992 7.414 471 HB2 PRO 59 2HB PRO 59 -15.528 -15.015 9.516 472 HB3 PRO 59 1HB PRO 59 -15.746 -14.575 7.822 473 HG2 PRO 59 2HG PRO 59 -17.225 -16.589 9.460 474 HG3 PRO 59 1HG PRO 59 -17.854 -15.433 8.269 475 HD2 PRO 59 2HD PRO 59 -17.537 -17.997 7.645 476 HD3 PRO 59 1HD PRO 59 -17.149 -16.723 6.466 477 HA PRO 60 HA PRO 60 -11.844 -17.779 10.873 478 HB2 PRO 60 2HB PRO 60 -9.927 -15.952 11.145 479 HB3 PRO 60 1HB PRO 60 -9.998 -16.966 9.695 480 HG2 PRO 60 2HG PRO 60 -11.003 -14.165 10.078 481 HG3 PRO 60 1HG PRO 60 -9.992 -14.813 8.772 482 HD2 PRO 60 2HD PRO 60 -12.671 -14.517 8.514 483 HD3 PRO 60 1HD PRO 60 -11.783 -15.837 7.722 484 H LYS 61 H LYS 61 -11.116 -17.072 13.068 485 HA LYS 61 HA LYS 61 -12.980 -15.156 14.184 486 HB2 LYS 61 2HB LYS 61 -12.999 -17.398 15.180 487 HB3 LYS 61 1HB LYS 61 -11.273 -17.280 15.493 488 HG2 LYS 61 2HG LYS 61 -11.698 -15.360 16.974 489 HG3 LYS 61 1HG LYS 61 -13.426 -15.578 16.681 490 HD2 LYS 61 2HD LYS 61 -13.395 -17.733 17.729 491 HD3 LYS 61 1HD LYS 61 -11.635 -17.705 17.827 492 HE2 LYS 61 2HE LYS 61 -13.533 -15.868 19.290 493 HE3 LYS 61 1HE LYS 61 -12.618 -17.197 19.999 494 HZ1 LYS 61 3HZ LYS 61 -11.448 -15.153 20.450 495 HZ2 LYS 61 1HZ LYS 61 -11.492 -14.697 18.832 496 HZ3 LYS 61 2HZ LYS 61 -10.561 -16.002 19.330 497 H VAL 62 H VAL 62 -12.129 -13.197 14.279 498 HA VAL 62 HA VAL 62 -9.336 -12.941 15.071 499 HB VAL 62 HB VAL 62 -9.373 -10.668 14.003 500 HG11 VAL 62 1HG1 VAL 62 -8.399 -12.563 12.823 501 HG12 VAL 62 2HG1 VAL 62 -9.189 -11.469 11.691 502 HG13 VAL 62 3HG1 VAL 62 -9.979 -12.976 12.156 503 HG21 VAL 62 3HG2 VAL 62 -11.811 -10.344 14.036 504 HG22 VAL 62 1HG2 VAL 62 -11.985 -11.605 12.817 505 HG23 VAL 62 2HG2 VAL 62 -11.142 -10.107 12.420 506 H GLY 63 H GLY 63 -8.926 -10.909 16.306 507 HA2 GLY 63 2HA GLY 63 -11.154 -10.622 18.207 508 HA3 GLY 63 1HA GLY 63 -9.455 -10.543 18.655 509 H ASN 64 H ASN 64 -8.236 -8.834 17.382 510 HA ASN 64 HA ASN 64 -9.506 -6.374 18.122 511 HB2 ASN 64 2HB ASN 64 -7.227 -6.620 18.801 512 HB3 ASN 64 1HB ASN 64 -6.722 -7.003 17.163 513 HD21 ASN 64 1HD2 ASN 64 -6.109 -5.361 15.812 514 HD22 ASN 64 2HD2 ASN 64 -6.223 -3.707 16.219 515 H LEU 65 H LEU 65 -8.509 -7.874 15.135 516 HA LEU 65 HA LEU 65 -8.858 -5.507 13.633 517 HB2 LEU 65 2HB LEU 65 -8.525 -8.365 12.804 518 HB3 LEU 65 1HB LEU 65 -8.665 -7.041 11.665 519 HG LEU 65 HG LEU 65 -6.479 -7.382 13.714 520 HD11 LEU 65 1HD1 LEU 65 -5.054 -7.769 11.793 521 HD12 LEU 65 2HD1 LEU 65 -6.447 -7.622 10.719 522 HD13 LEU 65 3HD1 LEU 65 -6.354 -8.963 11.859 523 HD21 LEU 65 3HD2 LEU 65 -5.440 -5.481 12.496 524 HD22 LEU 65 1HD2 LEU 65 -6.910 -5.034 13.366 525 HD23 LEU 65 2HD2 LEU 65 -6.958 -5.270 11.623 526 HA PRO 66 HA PRO 66 -13.208 -5.675 12.819 527 HB2 PRO 66 2HB PRO 66 -12.495 -4.382 10.249 528 HB3 PRO 66 1HB PRO 66 -13.574 -3.803 11.521 529 HG2 PRO 66 2HG PRO 66 -11.187 -2.681 11.129 530 HG3 PRO 66 1HG PRO 66 -11.843 -2.905 12.764 531 HD2 PRO 66 2HD PRO 66 -9.765 -4.506 11.327 532 HD3 PRO 66 1HD PRO 66 -9.840 -3.976 13.025 533 H GLN 67 H GLN 67 -14.562 -6.868 11.526 534 HA GLN 67 HA GLN 67 -13.577 -9.226 10.452 535 HB2 GLN 67 2HB GLN 67 -15.880 -8.773 11.363 536 HB3 GLN 67 1HB GLN 67 -16.254 -7.981 9.842 537 HG2 GLN 67 2HG GLN 67 -17.100 -10.229 9.830 538 HG3 GLN 67 1HG GLN 67 -15.791 -10.074 8.658 539 HE21 GLN 67 1HE2 GLN 67 -15.468 -12.277 8.724 540 HE22 GLN 67 2HE2 GLN 67 -14.657 -13.062 10.041 541 H TYR 68 H TYR 68 -14.662 -6.259 8.852 542 HA TYR 68 HA TYR 68 -14.405 -7.290 6.267 543 HB2 TYR 68 2HB TYR 68 -14.362 -4.849 5.466 544 HB3 TYR 68 1HB TYR 68 -15.774 -5.389 6.345 545 HD1 TYR 68 1HD TYR 68 -12.552 -3.559 6.874 546 HD2 TYR 68 2HD TYR 68 -16.589 -4.065 8.078 547 HE1 TYR 68 1HE TYR 68 -12.354 -1.597 8.338 548 HE2 TYR 68 2HE TYR 68 -16.401 -2.107 9.556 549 HH TYR 68 HH TYR 68 -14.538 -0.862 10.756 550 H GLU 69 H GLU 69 -11.914 -5.870 8.279 551 HA GLU 69 HA GLU 69 -10.105 -5.774 6.036 552 HB2 GLU 69 2HB GLU 69 -9.484 -5.418 8.979 553 HB3 GLU 69 1HB GLU 69 -8.396 -5.056 7.644 554 HG2 GLU 69 2HG GLU 69 -10.066 -3.389 6.837 555 HG3 GLU 69 1HG GLU 69 -10.982 -3.684 8.310 556 H SER 70 H SER 70 -10.978 -7.957 8.507 557 HA SER 70 HA SER 70 -8.716 -9.639 8.337 558 HB2 SER 70 2HB SER 70 -11.523 -10.237 9.276 559 HB3 SER 70 1HB SER 70 -10.088 -11.211 9.613 560 HG SER 70 HG SER 70 -10.679 -8.579 10.520 561 H GLU 71 H GLU 71 -11.771 -9.442 6.599 562 HA GLU 71 HA GLU 71 -11.604 -11.858 5.157 563 HB2 GLU 71 2HB GLU 71 -13.644 -10.479 5.182 564 HB3 GLU 71 1HB GLU 71 -12.801 -9.192 4.334 565 HG2 GLU 71 2HG GLU 71 -12.477 -10.750 2.419 566 HG3 GLU 71 1HG GLU 71 -13.480 -11.924 3.266 567 H ALA 72 H ALA 72 -10.457 -8.578 4.443 568 HA ALA 72 HA ALA 72 -9.264 -9.010 1.962 569 HB1 ALA 72 1HB ALA 72 -9.564 -6.790 2.959 570 HB2 ALA 72 2HB ALA 72 -7.906 -7.041 2.415 571 HB3 ALA 72 3HB ALA 72 -8.298 -7.150 4.131 572 H ILE 73 H ILE 73 -7.770 -9.269 5.145 573 HA ILE 73 HA ILE 73 -5.233 -10.147 4.376 574 HB ILE 73 HB ILE 73 -6.788 -10.968 6.847 575 HG12 ILE 73 2HG1 ILE 73 -4.752 -8.764 6.436 576 HG13 ILE 73 1HG1 ILE 73 -6.483 -8.541 6.658 577 HG21 ILE 73 1HG2 ILE 73 -3.827 -11.170 6.288 578 HG22 ILE 73 2HG2 ILE 73 -4.955 -12.515 6.451 579 HG23 ILE 73 3HG2 ILE 73 -4.595 -11.491 7.843 580 HD11 ILE 73 3HD1 ILE 73 -6.306 -9.468 8.910 581 HD12 ILE 73 1HD1 ILE 73 -5.253 -8.069 8.700 582 HD13 ILE 73 2HD1 ILE 73 -4.571 -9.692 8.672 583 H MET 74 H MET 74 -8.123 -12.067 5.066 584 HA MET 74 HA MET 74 -6.874 -14.562 4.683 585 HB2 MET 74 2HB MET 74 -9.778 -13.805 4.593 586 HB3 MET 74 1HB MET 74 -9.220 -15.458 4.434 587 HG2 MET 74 2HG MET 74 -8.495 -13.784 6.812 588 HG3 MET 74 1HG MET 74 -10.037 -14.615 6.706 589 HE1 MET 74 3HE MET 74 -6.129 -15.016 6.872 590 HE2 MET 74 1HE MET 74 -6.368 -16.149 5.543 591 HE3 MET 74 2HE MET 74 -5.906 -16.745 7.134 592 H VAL 75 H VAL 75 -8.627 -12.488 2.482 593 HA VAL 75 HA VAL 75 -8.593 -14.317 0.338 594 HB VAL 75 HB VAL 75 -8.933 -11.303 0.398 595 HG11 VAL 75 1HG1 VAL 75 -9.263 -13.154 -1.968 596 HG12 VAL 75 2HG1 VAL 75 -7.997 -11.942 -1.787 597 HG13 VAL 75 3HG1 VAL 75 -9.685 -11.442 -1.930 598 HG21 VAL 75 3HG2 VAL 75 -10.725 -12.593 1.405 599 HG22 VAL 75 1HG2 VAL 75 -10.850 -13.589 -0.045 600 HG23 VAL 75 2HG2 VAL 75 -11.274 -11.882 -0.113 601 H ALA 76 H ALA 76 -6.346 -11.799 1.348 602 HA ALA 76 HA ALA 76 -4.586 -12.093 -0.851 603 HB1 ALA 76 1HB ALA 76 -2.967 -10.886 0.524 604 HB2 ALA 76 2HB ALA 76 -4.007 -11.104 1.940 605 HB3 ALA 76 3HB ALA 76 -4.558 -10.135 0.569 606 H PHE 77 H PHE 77 -4.941 -13.738 2.164 607 HA PHE 77 HA PHE 77 -2.540 -15.259 2.065 608 HB2 PHE 77 2HB PHE 77 -3.785 -14.897 4.150 609 HB3 PHE 77 1HB PHE 77 -5.162 -15.765 3.496 610 HD1 PHE 77 2HD PHE 77 -1.658 -16.144 4.606 611 HD2 PHE 77 1HD PHE 77 -5.319 -18.105 3.693 612 HE1 PHE 77 2HE PHE 77 -0.781 -18.225 5.576 613 HE2 PHE 77 1HE PHE 77 -4.452 -20.190 4.665 614 HZ PHE 77 HZ PHE 77 -2.179 -20.252 5.607 615 H GLU 78 H GLU 78 -5.859 -15.834 1.076 616 HA GLU 78 HA GLU 78 -5.615 -18.504 0.234 617 HB2 GLU 78 2HB GLU 78 -7.707 -17.113 0.777 618 HB3 GLU 78 1HB GLU 78 -7.549 -16.423 -0.817 619 HG2 GLU 78 2HG GLU 78 -7.928 -19.374 -0.317 620 HG3 GLU 78 1HG GLU 78 -9.255 -18.248 -0.532 621 H LEU 79 H LEU 79 -5.508 -15.443 -1.582 622 HA LEU 79 HA LEU 79 -4.998 -16.724 -4.112 623 HB2 LEU 79 2HB LEU 79 -4.799 -13.829 -3.300 624 HB3 LEU 79 1HB LEU 79 -4.638 -14.419 -4.935 625 HG LEU 79 HG LEU 79 -7.139 -14.599 -3.257 626 HD11 LEU 79 1HD1 LEU 79 -6.607 -12.308 -3.898 627 HD12 LEU 79 2HD1 LEU 79 -7.999 -12.899 -4.808 628 HD13 LEU 79 3HD1 LEU 79 -6.416 -12.810 -5.576 629 HD21 LEU 79 3HD2 LEU 79 -6.988 -16.430 -4.861 630 HD22 LEU 79 1HD2 LEU 79 -6.612 -15.281 -6.147 631 HD23 LEU 79 2HD2 LEU 79 -8.200 -15.258 -5.381 632 H ASN 80 H ASN 80 -3.134 -15.687 -1.499 633 HA ASN 80 HA ASN 80 -0.999 -15.401 -1.018 634 HB2 ASN 80 2HB ASN 80 -0.740 -17.667 -2.186 635 HB3 ASN 80 1HB ASN 80 -0.283 -16.790 -3.636 636 HD21 ASN 80 1HD2 ASN 80 1.348 -14.790 -2.025 637 HD22 ASN 80 2HD2 ASN 80 2.748 -15.669 -1.559 638 H ALA 81 H ALA 81 -1.664 -13.306 -1.399 639 HA ALA 81 HA ALA 81 -0.644 -12.056 -3.855 640 HB1 ALA 81 1HB ALA 81 -3.082 -12.125 -3.702 641 HB2 ALA 81 2HB ALA 81 -2.457 -10.477 -3.666 642 HB3 ALA 81 3HB ALA 81 -3.001 -11.245 -2.175 643 H LEU 82 H LEU 82 -0.567 -9.600 -3.436 644 HA LEU 82 HA LEU 82 1.190 -9.082 -1.175 645 HB2 LEU 82 2HB LEU 82 1.619 -8.462 -3.662 646 HB3 LEU 82 1HB LEU 82 0.339 -7.298 -3.483 647 HG LEU 82 HG LEU 82 2.576 -6.293 -3.417 648 HD11 LEU 82 1HD1 LEU 82 1.121 -6.051 -0.804 649 HD12 LEU 82 2HD1 LEU 82 0.823 -5.114 -2.269 650 HD13 LEU 82 3HD1 LEU 82 2.354 -4.948 -1.407 651 HD21 LEU 82 3HD2 LEU 82 3.761 -8.161 -2.437 652 HD22 LEU 82 1HD2 LEU 82 2.956 -7.883 -0.896 653 HD23 LEU 82 2HD2 LEU 82 4.067 -6.671 -1.541 654 H LEU 83 H LEU 83 0.352 -7.810 0.555 655 HA LEU 83 HA LEU 83 -2.439 -6.990 0.153 656 HB2 LEU 83 2HB LEU 83 -2.043 -8.730 1.902 657 HB3 LEU 83 1HB LEU 83 -1.070 -7.571 2.780 658 HG LEU 83 HG LEU 83 -3.099 -6.097 2.932 659 HD11 LEU 83 1HD1 LEU 83 -4.363 -7.004 1.074 660 HD12 LEU 83 2HD1 LEU 83 -5.280 -7.123 2.577 661 HD13 LEU 83 3HD1 LEU 83 -4.495 -8.552 1.915 662 HD21 LEU 83 3HD2 LEU 83 -4.171 -7.397 4.703 663 HD22 LEU 83 1HD2 LEU 83 -2.413 -7.474 4.812 664 HD23 LEU 83 2HD2 LEU 83 -3.313 -8.839 4.156 665 H ILE 84 H ILE 84 -2.919 -4.938 0.240 666 HA ILE 84 HA ILE 84 -0.852 -3.041 1.129 667 HB ILE 84 HB ILE 84 -3.300 -2.512 -0.593 668 HG12 ILE 84 2HG1 ILE 84 -0.418 -2.846 -1.484 669 HG13 ILE 84 1HG1 ILE 84 -1.671 -4.063 -1.674 670 HG21 ILE 84 1HG2 ILE 84 -2.467 -0.541 0.599 671 HG22 ILE 84 2HG2 ILE 84 -2.150 -0.394 -1.130 672 HG23 ILE 84 3HG2 ILE 84 -0.843 -0.832 -0.030 673 HD11 ILE 84 3HD1 ILE 84 -2.909 -2.589 -3.136 674 HD12 ILE 84 1HD1 ILE 84 -1.269 -2.829 -3.734 675 HD13 ILE 84 2HD1 ILE 84 -1.704 -1.324 -2.917 676 H ALA 85 H ALA 85 -1.219 -2.237 3.118 677 HA ALA 85 HA ALA 85 -3.952 -1.627 3.919 678 HB1 ALA 85 1HB ALA 85 -3.569 -3.902 4.732 679 HB2 ALA 85 2HB ALA 85 -3.686 -2.759 6.071 680 HB3 ALA 85 3HB ALA 85 -2.109 -3.362 5.562 681 H GLU 86 H GLU 86 -4.016 -0.215 5.761 682 HA GLU 86 HA GLU 86 -1.627 1.472 5.906 683 HB2 GLU 86 2HB GLU 86 -4.430 2.014 6.868 684 HB3 GLU 86 1HB GLU 86 -3.117 3.155 6.970 685 HG2 GLU 86 2HG GLU 86 -3.001 3.011 4.441 686 HG3 GLU 86 1HG GLU 86 -4.532 2.141 4.536 687 H ASP 87 H ASP 87 -3.949 -0.250 7.926 688 HA ASP 87 HA ASP 87 -2.732 0.592 10.333 689 HB2 ASP 87 2HB ASP 87 -5.055 0.157 10.461 690 HB3 ASP 87 1HB ASP 87 -4.861 -1.455 9.779 691 H LYS 88 H LYS 88 -1.189 -0.219 11.438 692 HA LYS 88 HA LYS 88 0.531 -2.123 10.393 693 HB2 LYS 88 2HB LYS 88 1.206 -0.260 11.817 694 HB3 LYS 88 1HB LYS 88 0.360 -0.983 13.170 695 HG2 LYS 88 2HG LYS 88 1.920 -2.804 13.252 696 HG3 LYS 88 1HG LYS 88 2.684 -2.270 11.754 697 HD2 LYS 88 2HD LYS 88 4.057 -1.582 13.625 698 HD3 LYS 88 1HD LYS 88 3.319 -0.172 12.861 699 HE2 LYS 88 2HE LYS 88 3.219 0.096 15.255 700 HE3 LYS 88 1HE LYS 88 1.593 -0.155 14.632 701 HZ1 LYS 88 3HZ LYS 88 3.291 -2.205 15.946 702 HZ2 LYS 88 1HZ LYS 88 1.739 -2.477 15.355 703 HZ3 LYS 88 2HZ LYS 88 1.971 -1.421 16.640 704 H ASP 89 H ASP 89 -2.191 -2.540 12.587 705 HA ASP 89 HA ASP 89 -1.245 -5.088 13.539 706 HB2 ASP 89 2HB ASP 89 -2.842 -3.580 14.849 707 HB3 ASP 89 1HB ASP 89 -4.094 -4.070 13.716 708 H VAL 90 H VAL 90 -3.574 -3.979 11.151 709 HA VAL 90 HA VAL 90 -4.360 -6.451 10.075 710 HB VAL 90 HB VAL 90 -3.791 -3.885 8.521 711 HG11 VAL 90 1HG1 VAL 90 -5.509 -6.242 7.733 712 HG12 VAL 90 2HG1 VAL 90 -3.941 -5.831 7.043 713 HG13 VAL 90 3HG1 VAL 90 -5.315 -4.748 6.818 714 HG21 VAL 90 3HG2 VAL 90 -6.166 -3.418 8.700 715 HG22 VAL 90 1HG2 VAL 90 -5.442 -3.567 10.301 716 HG23 VAL 90 2HG2 VAL 90 -6.400 -4.894 9.632 717 H ILE 91 H ILE 91 -1.664 -4.359 9.188 718 HA ILE 91 HA ILE 91 -0.413 -5.931 7.288 719 HB ILE 91 HB ILE 91 0.752 -3.929 9.229 720 HG12 ILE 91 2HG1 ILE 91 0.090 -3.679 6.291 721 HG13 ILE 91 1HG1 ILE 91 -0.929 -3.103 7.604 722 HG21 ILE 91 1HG2 ILE 91 2.728 -3.803 7.772 723 HG22 ILE 91 2HG2 ILE 91 2.105 -5.145 6.815 724 HG23 ILE 91 3HG2 ILE 91 2.555 -5.401 8.500 725 HD11 ILE 91 3HD1 ILE 91 0.810 -1.551 8.274 726 HD12 ILE 91 1HD1 ILE 91 0.344 -1.299 6.591 727 HD13 ILE 91 2HD1 ILE 91 1.850 -2.140 6.974 728 H ASN 92 H ASN 92 0.201 -5.828 10.802 729 HA ASN 92 HA ASN 92 2.259 -7.704 10.572 730 HB2 ASN 92 2HB ASN 92 2.407 -7.825 12.995 731 HB3 ASN 92 1HB ASN 92 2.285 -6.160 12.461 732 HD21 ASN 92 1HD2 ASN 92 -0.228 -8.632 13.247 733 HD22 ASN 92 2HD2 ASN 92 -0.975 -7.654 14.444 734 H LYS 93 H LYS 93 -1.126 -8.185 11.402 735 HA LYS 93 HA LYS 93 -0.888 -10.984 11.877 736 HB2 LYS 93 2HB LYS 93 -3.207 -9.348 10.950 737 HB3 LYS 93 1HB LYS 93 -3.304 -11.057 11.316 738 HG2 LYS 93 2HG LYS 93 -2.105 -10.062 13.547 739 HG3 LYS 93 1HG LYS 93 -3.165 -8.741 13.086 740 HD2 LYS 93 2HD LYS 93 -4.401 -10.221 14.565 741 HD3 LYS 93 1HD LYS 93 -5.045 -10.307 12.919 742 HE2 LYS 93 2HE LYS 93 -4.903 -12.517 13.935 743 HE3 LYS 93 1HE LYS 93 -3.856 -12.417 12.542 744 HZ1 LYS 93 3HZ LYS 93 -2.757 -13.517 14.384 745 HZ2 LYS 93 1HZ LYS 93 -2.978 -12.195 15.377 746 HZ3 LYS 93 2HZ LYS 93 -1.941 -12.090 14.068 747 H ALA 94 H ALA 94 -1.478 -9.231 8.907 748 HA ALA 94 HA ALA 94 -1.845 -11.531 7.350 749 HB1 ALA 94 1HB ALA 94 -2.380 -9.279 6.579 750 HB2 ALA 94 2HB ALA 94 -1.290 -10.093 5.456 751 HB3 ALA 94 3HB ALA 94 -0.665 -8.877 6.575 752 H LYS 95 H LYS 95 1.011 -9.706 8.247 753 HA LYS 95 HA LYS 95 2.747 -11.335 6.726 754 HB2 LYS 95 2HB LYS 95 3.216 -8.973 7.186 755 HB3 LYS 95 1HB LYS 95 3.386 -9.333 8.893 756 HG2 LYS 95 2HG LYS 95 5.449 -10.276 8.624 757 HG3 LYS 95 1HG LYS 95 5.121 -10.778 6.965 758 HD2 LYS 95 2HD LYS 95 6.769 -8.956 7.058 759 HD3 LYS 95 1HD LYS 95 5.309 -8.490 6.200 760 HE2 LYS 95 2HE LYS 95 4.517 -7.321 8.224 761 HE3 LYS 95 1HE LYS 95 6.010 -7.772 9.043 762 HZ1 LYS 95 3HZ LYS 95 5.829 -6.073 6.609 763 HZ2 LYS 95 1HZ LYS 95 7.245 -6.497 7.399 764 HZ3 LYS 95 2HZ LYS 95 6.119 -5.507 8.158 765 H GLU 96 H GLU 96 1.550 -11.518 9.998 766 HA GLU 96 HA GLU 96 3.277 -13.522 11.013 767 HB2 GLU 96 2HB GLU 96 0.319 -13.102 11.536 768 HB3 GLU 96 1HB GLU 96 1.316 -14.225 12.425 769 HG2 GLU 96 2HG GLU 96 2.650 -12.327 13.251 770 HG3 GLU 96 1HG GLU 96 1.566 -11.230 12.388 771 H LEU 97 H LEU 97 0.467 -13.564 8.978 772 HA LEU 97 HA LEU 97 0.239 -16.420 8.923 773 HB2 LEU 97 2HB LEU 97 -1.153 -14.303 7.292 774 HB3 LEU 97 1HB LEU 97 -1.583 -16.001 7.325 775 HG LEU 97 HG LEU 97 -1.768 -14.099 9.684 776 HD11 LEU 97 1HD1 LEU 97 -4.172 -14.354 9.410 777 HD12 LEU 97 2HD1 LEU 97 -3.910 -15.333 7.965 778 HD13 LEU 97 3HD1 LEU 97 -3.429 -13.635 7.981 779 HD21 LEU 97 3HD2 LEU 97 -2.584 -17.000 9.402 780 HD22 LEU 97 1HD2 LEU 97 -2.957 -15.959 10.774 781 HD23 LEU 97 2HD2 LEU 97 -1.283 -16.372 10.416 782 H GLY 98 H GLY 98 2.049 -14.127 7.205 783 HA2 GLY 98 2HA GLY 98 3.905 -15.052 5.895 784 HA3 GLY 98 1HA GLY 98 2.779 -16.252 5.288 785 H VAL 99 H VAL 99 1.234 -13.320 5.413 786 HA VAL 99 HA VAL 99 1.511 -12.995 2.531 787 HB VAL 99 HB VAL 99 -0.372 -11.646 4.476 788 HG11 VAL 99 1HG1 VAL 99 -1.676 -11.041 2.500 789 HG12 VAL 99 2HG1 VAL 99 -0.455 -11.782 1.465 790 HG13 VAL 99 3HG1 VAL 99 -0.048 -10.363 2.432 791 HG21 VAL 99 3HG2 VAL 99 -0.789 -14.026 4.446 792 HG22 VAL 99 1HG2 VAL 99 -0.855 -14.014 2.684 793 HG23 VAL 99 2HG2 VAL 99 -2.095 -13.175 3.617 794 H ASN 100 H ASN 100 2.657 -11.308 1.704 795 HA ASN 100 HA ASN 100 3.962 -9.571 3.575 796 HB2 ASN 100 2HB ASN 100 5.148 -10.367 1.534 797 HB3 ASN 100 1HB ASN 100 4.044 -9.407 0.556 798 HD21 ASN 100 1HD2 ASN 100 4.239 -7.161 0.571 799 HD22 ASN 100 2HD2 ASN 100 5.639 -6.357 1.193 800 H ALA 101 H ALA 101 2.552 -8.316 4.508 801 HA ALA 101 HA ALA 101 0.859 -6.582 2.889 802 HB1 ALA 101 1HB ALA 101 -0.192 -5.985 5.016 803 HB2 ALA 101 2HB ALA 101 0.968 -7.002 5.874 804 HB3 ALA 101 3HB ALA 101 -0.197 -7.734 4.773 805 H ILE 102 H ILE 102 1.296 -4.489 2.700 806 HA ILE 102 HA ILE 102 3.288 -3.319 4.423 807 HB ILE 102 HB ILE 102 4.341 -2.182 2.360 808 HG12 ILE 102 2HG1 ILE 102 4.438 -3.714 0.315 809 HG13 ILE 102 1HG1 ILE 102 3.049 -4.553 0.986 810 HG21 ILE 102 1HG2 ILE 102 5.594 -3.660 3.737 811 HG22 ILE 102 2HG2 ILE 102 5.977 -3.976 2.044 812 HG23 ILE 102 3HG2 ILE 102 4.908 -5.067 2.922 813 HD11 ILE 102 3HD1 ILE 102 3.148 -1.659 0.178 814 HD12 ILE 102 1HD1 ILE 102 1.740 -2.501 0.822 815 HD13 ILE 102 2HD1 ILE 102 2.409 -2.966 -0.746 816 HA PRO 103 HA PRO 103 0.694 0.267 4.286 817 HB2 PRO 103 2HB PRO 103 3.103 1.971 4.216 818 HB3 PRO 103 1HB PRO 103 1.839 1.878 5.444 819 HG2 PRO 103 2HG PRO 103 4.280 0.902 5.915 820 HG3 PRO 103 1HG PRO 103 2.828 0.091 6.521 821 HD2 PRO 103 2HD PRO 103 4.512 -0.590 4.139 822 HD3 PRO 103 1HD PRO 103 3.811 -1.658 5.374 823 H ILE 104 H ILE 104 0.188 2.139 3.039 824 HA ILE 104 HA ILE 104 0.254 1.774 0.284 825 HB ILE 104 HB ILE 104 -0.367 4.228 1.927 826 HG12 ILE 104 2HG1 ILE 104 -2.163 2.190 0.616 827 HG13 ILE 104 1HG1 ILE 104 -1.768 2.244 2.328 828 HG21 ILE 104 1HG2 ILE 104 0.184 4.947 -0.328 829 HG22 ILE 104 2HG2 ILE 104 -1.552 5.100 -0.050 830 HG23 ILE 104 3HG2 ILE 104 -0.926 3.753 -1.000 831 HD11 ILE 104 3HD1 ILE 104 -2.841 4.413 2.499 832 HD12 ILE 104 1HD1 ILE 104 -3.945 3.184 1.881 833 HD13 ILE 104 2HD1 ILE 104 -3.220 4.358 0.779 834 H GLU 105 H GLU 105 2.073 4.052 2.278 835 HA GLU 105 HA GLU 105 3.474 5.310 0.244 836 HB2 GLU 105 2HB GLU 105 4.640 4.800 2.994 837 HB3 GLU 105 1HB GLU 105 5.019 6.084 1.851 838 HG2 GLU 105 2HG GLU 105 3.759 7.119 3.547 839 HG3 GLU 105 1HG GLU 105 2.656 6.927 2.190 840 H GLU 106 H GLU 106 4.176 2.328 1.928 841 HA GLU 106 HA GLU 106 6.754 1.849 0.834 842 HB2 GLU 106 2HB GLU 106 5.802 0.695 2.825 843 HB3 GLU 106 1HB GLU 106 4.686 -0.145 1.761 844 HG2 GLU 106 2HG GLU 106 6.495 -1.610 2.328 845 HG3 GLU 106 1HG GLU 106 6.622 -1.185 0.624 846 H LEU 107 H LEU 107 3.483 1.019 -0.121 847 HA LEU 107 HA LEU 107 4.107 -0.571 -2.366 848 HB2 LEU 107 2HB LEU 107 1.889 -0.497 -1.191 849 HB3 LEU 107 1HB LEU 107 1.634 1.106 -1.818 850 HG LEU 107 HG LEU 107 0.323 -0.719 -2.922 851 HD11 LEU 107 1HD1 LEU 107 0.614 1.379 -4.073 852 HD12 LEU 107 2HD1 LEU 107 0.636 0.037 -5.215 853 HD13 LEU 107 3HD1 LEU 107 2.145 0.821 -4.746 854 HD21 LEU 107 3HD2 LEU 107 2.004 -2.468 -2.912 855 HD22 LEU 107 1HD2 LEU 107 3.001 -1.541 -4.035 856 HD23 LEU 107 2HD2 LEU 107 1.435 -2.160 -4.553 857 H LEU 108 H LEU 108 3.349 2.864 -2.016 858 HA LEU 108 HA LEU 108 3.579 3.659 -4.694 859 HB2 LEU 108 2HB LEU 108 4.232 5.213 -2.191 860 HB3 LEU 108 1HB LEU 108 4.034 5.917 -3.778 861 HG LEU 108 HG LEU 108 1.838 4.488 -2.270 862 HD11 LEU 108 1HD1 LEU 108 0.948 6.716 -1.818 863 HD12 LEU 108 2HD1 LEU 108 2.368 7.438 -2.571 864 HD13 LEU 108 3HD1 LEU 108 2.541 6.504 -1.087 865 HD21 LEU 108 3HD2 LEU 108 1.487 4.488 -4.707 866 HD22 LEU 108 1HD2 LEU 108 1.770 6.228 -4.756 867 HD23 LEU 108 2HD2 LEU 108 0.359 5.594 -3.930 868 H ALA 109 H ALA 109 6.019 3.347 -2.168 869 HA ALA 109 HA ALA 109 8.147 4.381 -3.757 870 HB1 ALA 109 1HB ALA 109 8.156 4.474 -1.298 871 HB2 ALA 109 2HB ALA 109 9.602 3.702 -1.945 872 HB3 ALA 109 3HB ALA 109 8.313 2.718 -1.247 873 H SER 110 H SER 110 6.603 1.360 -3.667 874 HA SER 110 HA SER 110 8.905 -0.051 -4.792 875 HB2 SER 110 2HB SER 110 6.184 -1.085 -3.962 876 HB3 SER 110 1HB SER 110 7.558 -2.072 -4.463 877 HG SER 110 HG SER 110 7.206 -0.509 -2.157 878 H SER 111 H SER 111 6.961 2.026 -6.038 879 HA SER 111 HA SER 111 5.621 0.625 -8.096 880 HB2 SER 111 2HB SER 111 4.947 2.882 -7.274 881 HB3 SER 111 1HB SER 111 6.409 3.550 -7.992 882 HG SER 111 HG SER 111 4.764 2.023 -9.628 883 H LEU 112 H LEU 112 6.695 -0.488 -9.499 884 HA LEU 112 HA LEU 112 9.130 0.647 -10.663 885 HB2 LEU 112 2HB LEU 112 8.445 -2.273 -10.302 886 HB3 LEU 112 1HB LEU 112 9.897 -1.653 -11.049 887 HG LEU 112 HG LEU 112 9.155 -1.364 -8.132 888 HD11 LEU 112 1HD1 LEU 112 11.001 -2.909 -7.743 889 HD12 LEU 112 2HD1 LEU 112 11.229 -3.078 -9.483 890 HD13 LEU 112 3HD1 LEU 112 9.738 -3.644 -8.731 891 HD21 LEU 112 3HD2 LEU 112 11.660 -0.560 -9.613 892 HD22 LEU 112 1HD2 LEU 112 11.443 -0.514 -7.861 893 HD23 LEU 112 2HD2 LEU 112 10.467 0.525 -8.895 894 H GLU 113 H GLU 113 7.789 1.682 -12.219 895 HA GLU 113 HA GLU 113 6.045 0.271 -13.954 896 HB2 GLU 113 2HB GLU 113 7.584 2.756 -14.721 897 HB3 GLU 113 1HB GLU 113 6.026 2.230 -15.330 898 HG2 GLU 113 2HG GLU 113 5.313 3.873 -13.949 899 HG3 GLU 113 1HG GLU 113 5.372 2.566 -12.768 900 H HIS 114 H HIS 114 9.384 1.050 -13.903 901 HA HIS 114 HA HIS 114 11.204 0.273 -14.857 902 HB2 HIS 114 2HB HIS 114 9.416 -1.890 -15.970 903 HB3 HIS 114 1HB HIS 114 11.147 -1.808 -16.273 904 HD1 HIS 114 1HD HIS 114 8.880 -3.490 -14.138 905 HD2 HIS 114 2HD HIS 114 12.575 -1.681 -13.556 906 HE1 HIS 114 1HE HIS 114 9.847 -4.557 -12.104 907 HE2 HIS 114 2HE HIS 114 12.157 -3.660 -11.956 908 H HIS 115 H HIS 115 12.263 -0.196 -17.023 909 HA HIS 115 HA HIS 115 11.851 2.151 -18.521 910 HB2 HIS 115 2HB HIS 115 13.670 1.407 -20.012 911 HB3 HIS 115 1HB HIS 115 14.097 1.258 -18.318 912 HD1 HIS 115 1HD HIS 115 13.018 -0.962 -21.255 913 HD2 HIS 115 2HD HIS 115 14.994 -1.223 -17.601 914 HE1 HIS 115 1HE HIS 115 13.938 -3.268 -21.148 915 HE2 HIS 115 2HE HIS 115 15.009 -3.450 -18.884 916 H HIS 116 H HIS 116 10.523 -0.971 -18.957 917 HA HIS 116 HA HIS 116 8.991 -1.803 -20.387 918 HB2 HIS 116 2HB HIS 116 8.745 1.071 -21.299 919 HB3 HIS 116 1HB HIS 116 7.740 -0.217 -21.943 920 HD1 HIS 116 1HD HIS 116 7.410 2.430 -19.730 921 HD2 HIS 116 2HD HIS 116 6.537 -1.620 -19.417 922 HE1 HIS 116 1HE HIS 116 5.713 2.246 -17.914 923 HE2 HIS 116 2HE HIS 116 5.009 -0.162 -17.955 924 H HIS 117 H HIS 117 8.427 -1.726 -22.932 925 HA HIS 117 HA HIS 117 10.964 -1.653 -24.390 926 HB2 HIS 117 2HB HIS 117 8.897 -3.872 -24.500 927 HB3 HIS 117 1HB HIS 117 10.258 -3.721 -25.600 928 HD1 HIS 117 1HD HIS 117 9.272 -5.183 -22.431 929 HD2 HIS 117 2HD HIS 117 12.826 -4.033 -24.233 930 HE1 HIS 117 1HE HIS 117 11.078 -6.296 -21.106 931 HE2 HIS 117 2HE HIS 117 13.127 -5.908 -22.486 932 H HIS 118 H HIS 118 10.632 -0.066 -25.804 933 HA HIS 118 HA HIS 118 7.962 0.121 -26.973 934 HB2 HIS 118 2HB HIS 118 8.372 2.411 -27.565 935 HB3 HIS 118 1HB HIS 118 8.886 2.222 -25.903 936 HD1 HIS 118 1HD HIS 118 11.322 2.863 -25.383 937 HD2 HIS 118 2HD HIS 118 10.511 2.795 -29.460 938 HE1 HIS 118 1HE HIS 118 13.308 3.904 -26.487 939 HE2 HIS 118 2HE HIS 118 12.881 3.652 -28.947 940 H HIS 119 H HIS 119 7.691 0.087 -29.173 941 HA HIS 119 HA HIS 119 10.071 -0.702 -30.666 942 HB2 HIS 119 2HB HIS 119 8.321 -2.491 -30.456 943 HB3 HIS 119 1HB HIS 119 7.188 -1.415 -31.264 944 HD1 HIS 119 1HD HIS 119 10.154 -3.609 -31.919 945 HD2 HIS 119 2HD HIS 119 7.539 -1.188 -34.049 946 HE1 HIS 119 1HE HIS 119 10.538 -4.162 -34.322 947 HE2 HIS 119 2HE HIS 119 8.826 -2.806 -35.576 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -0.089 -11.475 -10.769 2 H2 MET 1 2HT MET 1 1.569 -11.766 -10.559 3 H3 MET 1 3HT MET 1 0.942 -10.194 -10.459 4 HA MET 1 HA MET 1 0.232 -12.377 -8.633 5 HB2 MET 1 2HB MET 1 2.589 -11.620 -8.387 6 HB3 MET 1 1HB MET 1 2.028 -9.970 -8.198 7 HG2 MET 1 2HG MET 1 0.874 -10.596 -6.143 8 HG3 MET 1 1HG MET 1 1.409 -12.264 -6.344 9 HE1 MET 1 2HE MET 1 2.476 -12.329 -3.948 10 HE2 MET 1 3HE MET 1 1.864 -10.699 -3.679 11 HE3 MET 1 1HE MET 1 3.549 -11.081 -3.315 12 H PHE 2 H PHE 2 -1.317 -11.788 -7.113 13 HA PHE 2 HA PHE 2 -2.951 -9.551 -7.922 14 HB2 PHE 2 2HB PHE 2 -3.413 -11.708 -5.844 15 HB3 PHE 2 1HB PHE 2 -4.582 -10.479 -6.295 16 HD1 PHE 2 2HD PHE 2 -5.328 -10.456 -8.773 17 HD2 PHE 2 1HD PHE 2 -3.376 -13.758 -6.940 18 HE1 PHE 2 2HE PHE 2 -6.191 -11.946 -10.532 19 HE2 PHE 2 1HE PHE 2 -4.229 -15.245 -8.688 20 HZ PHE 2 HZ PHE 2 -5.642 -14.342 -10.491 21 H ALA 3 H ALA 3 -3.675 -7.986 -6.441 22 HA ALA 3 HA ALA 3 -2.115 -7.696 -3.977 23 HB1 ALA 3 1HB ALA 3 -2.751 -5.471 -5.929 24 HB2 ALA 3 2HB ALA 3 -1.153 -6.170 -5.651 25 HB3 ALA 3 3HB ALA 3 -1.962 -5.274 -4.366 26 H VAL 4 H VAL 4 -3.517 -7.858 -2.426 27 HA VAL 4 HA VAL 4 -6.312 -7.168 -2.914 28 HB VAL 4 HB VAL 4 -5.113 -8.591 -0.522 29 HG11 VAL 4 1HG1 VAL 4 -7.968 -8.425 -1.498 30 HG12 VAL 4 2HG1 VAL 4 -7.300 -7.596 -0.091 31 HG13 VAL 4 3HG1 VAL 4 -7.408 -9.355 -0.107 32 HG21 VAL 4 3HG2 VAL 4 -6.425 -9.833 -2.940 33 HG22 VAL 4 1HG2 VAL 4 -5.837 -10.681 -1.515 34 HG23 VAL 4 2HG2 VAL 4 -4.698 -9.863 -2.588 35 H ILE 5 H ILE 5 -7.250 -5.514 -1.892 36 HA ILE 5 HA ILE 5 -5.519 -3.833 -0.225 37 HB ILE 5 HB ILE 5 -8.124 -3.088 -1.582 38 HG12 ILE 5 2HG1 ILE 5 -5.308 -2.546 -2.570 39 HG13 ILE 5 1HG1 ILE 5 -6.321 -3.840 -3.194 40 HG21 ILE 5 1HG2 ILE 5 -5.859 -1.440 -0.440 41 HG22 ILE 5 2HG2 ILE 5 -7.450 -1.656 0.289 42 HG23 ILE 5 3HG2 ILE 5 -7.292 -0.795 -1.242 43 HD11 ILE 5 3HD1 ILE 5 -7.954 -2.187 -3.928 44 HD12 ILE 5 1HD1 ILE 5 -6.374 -1.920 -4.663 45 HD13 ILE 5 2HD1 ILE 5 -6.906 -0.894 -3.330 46 H SER 6 H SER 6 -6.056 -3.523 1.887 47 HA SER 6 HA SER 6 -8.464 -4.717 2.940 48 HB2 SER 6 2HB SER 6 -6.198 -3.237 4.316 49 HB3 SER 6 1HB SER 6 -7.486 -4.124 5.130 50 HG SER 6 HG SER 6 -6.232 -5.750 4.954 51 HA PRO 7 HA PRO 7 -10.984 -1.040 2.885 52 HB2 PRO 7 2HB PRO 7 -11.685 -1.745 5.701 53 HB3 PRO 7 1HB PRO 7 -12.751 -1.380 4.335 54 HG2 PRO 7 2HG PRO 7 -12.418 -3.885 5.094 55 HG3 PRO 7 1HG PRO 7 -12.443 -3.483 3.366 56 HD2 PRO 7 2HD PRO 7 -10.108 -4.102 5.140 57 HD3 PRO 7 1HD PRO 7 -10.422 -4.604 3.463 58 H SER 8 H SER 8 -8.852 -1.446 5.677 59 HA SER 8 HA SER 8 -8.897 1.178 6.605 60 HB2 SER 8 2HB SER 8 -6.584 0.660 7.481 61 HB3 SER 8 1HB SER 8 -7.830 -0.492 7.946 62 HG SER 8 HG SER 8 -6.963 -1.973 6.767 63 H ALA 9 H ALA 9 -7.510 -0.057 3.691 64 HA ALA 9 HA ALA 9 -5.761 2.261 3.343 65 HB1 ALA 9 1HB ALA 9 -6.037 -0.270 1.728 66 HB2 ALA 9 2HB ALA 9 -4.792 0.062 2.933 67 HB3 ALA 9 3HB ALA 9 -4.848 0.997 1.441 68 H PHE 10 H PHE 10 -8.845 1.962 3.010 69 HA PHE 10 HA PHE 10 -9.335 2.475 0.268 70 HB2 PHE 10 2HB PHE 10 -11.012 2.572 2.711 71 HB3 PHE 10 1HB PHE 10 -11.579 3.380 1.255 72 HD1 PHE 10 1HD PHE 10 -9.540 0.327 1.148 73 HD2 PHE 10 2HD PHE 10 -13.447 1.968 0.956 74 HE1 PHE 10 1HE PHE 10 -10.389 -1.800 0.281 75 HE2 PHE 10 2HE PHE 10 -14.297 -0.161 0.100 76 HZ PHE 10 HZ PHE 10 -12.790 -2.031 -0.248 77 H GLY 11 H GLY 11 -10.374 4.310 -0.601 78 HA2 GLY 11 2HA GLY 11 -10.702 6.598 -0.904 79 HA3 GLY 11 1HA GLY 11 -9.828 6.890 0.596 80 H LYS 12 H LYS 12 -7.579 5.312 -0.095 81 HA LYS 12 HA LYS 12 -6.330 7.159 -1.973 82 HB2 LYS 12 2HB LYS 12 -5.167 5.334 0.089 83 HB3 LYS 12 1HB LYS 12 -4.202 6.392 -0.955 84 HG2 LYS 12 2HG LYS 12 -5.430 8.327 0.023 85 HG3 LYS 12 1HG LYS 12 -6.247 7.210 1.112 86 HD2 LYS 12 2HD LYS 12 -4.415 8.182 2.317 87 HD3 LYS 12 1HD LYS 12 -4.033 6.501 1.914 88 HE2 LYS 12 2HE LYS 12 -2.107 8.021 1.573 89 HE3 LYS 12 1HE LYS 12 -2.600 7.202 0.099 90 HZ1 LYS 12 3HZ LYS 12 -3.404 9.968 0.821 91 HZ2 LYS 12 1HZ LYS 12 -3.692 9.195 -0.653 92 HZ3 LYS 12 2HZ LYS 12 -2.126 9.596 -0.193 93 H LEU 13 H LEU 13 -7.896 4.579 -2.309 94 HA LEU 13 HA LEU 13 -6.462 2.493 -3.502 95 HB2 LEU 13 2HB LEU 13 -9.134 3.568 -4.412 96 HB3 LEU 13 1HB LEU 13 -8.528 1.944 -4.636 97 HG LEU 13 HG LEU 13 -9.268 3.173 -1.977 98 HD11 LEU 13 1HD1 LEU 13 -10.707 1.131 -3.664 99 HD12 LEU 13 2HD1 LEU 13 -11.216 2.795 -3.388 100 HD13 LEU 13 3HD1 LEU 13 -11.175 1.653 -2.045 101 HD21 LEU 13 3HD2 LEU 13 -7.516 1.496 -1.773 102 HD22 LEU 13 1HD2 LEU 13 -8.483 0.370 -2.725 103 HD23 LEU 13 2HD2 LEU 13 -9.046 0.885 -1.139 104 H LYS 14 H LYS 14 -7.690 5.469 -4.753 105 HA LYS 14 HA LYS 14 -7.266 5.132 -7.519 106 HB2 LYS 14 2HB LYS 14 -7.433 7.640 -5.863 107 HB3 LYS 14 1HB LYS 14 -7.710 7.516 -7.598 108 HG2 LYS 14 2HG LYS 14 -9.694 6.308 -7.316 109 HG3 LYS 14 1HG LYS 14 -9.319 5.921 -5.642 110 HD2 LYS 14 2HD LYS 14 -11.047 7.599 -5.720 111 HD3 LYS 14 1HD LYS 14 -9.571 8.295 -5.066 112 HE2 LYS 14 2HE LYS 14 -9.113 9.353 -7.189 113 HE3 LYS 14 1HE LYS 14 -10.526 8.570 -7.907 114 HZ1 LYS 14 3HZ LYS 14 -10.545 10.559 -5.707 115 HZ2 LYS 14 1HZ LYS 14 -11.903 9.713 -6.278 116 HZ3 LYS 14 2HZ LYS 14 -11.071 10.788 -7.291 117 H GLU 15 H GLU 15 -5.202 6.068 -4.910 118 HA GLU 15 HA GLU 15 -3.273 7.359 -6.601 119 HB2 GLU 15 2HB GLU 15 -3.285 6.746 -3.651 120 HB3 GLU 15 1HB GLU 15 -2.016 7.649 -4.477 121 HG2 GLU 15 2HG GLU 15 -3.525 9.368 -5.078 122 HG3 GLU 15 1HG GLU 15 -4.915 8.457 -4.487 123 H ILE 16 H ILE 16 -3.409 4.427 -4.587 124 HA ILE 16 HA ILE 16 -0.854 3.502 -5.350 125 HB ILE 16 HB ILE 16 -1.634 1.218 -4.592 126 HG12 ILE 16 2HG1 ILE 16 -4.192 2.703 -3.922 127 HG13 ILE 16 1HG1 ILE 16 -4.027 1.441 -5.133 128 HG21 ILE 16 1HG2 ILE 16 -0.529 2.737 -3.078 129 HG22 ILE 16 2HG2 ILE 16 -1.794 1.831 -2.237 130 HG23 ILE 16 3HG2 ILE 16 -2.079 3.505 -2.720 131 HD11 ILE 16 3HD1 ILE 16 -3.658 1.103 -2.162 132 HD12 ILE 16 1HD1 ILE 16 -3.518 -0.173 -3.372 133 HD13 ILE 16 2HD1 ILE 16 -5.072 0.617 -3.096 134 H LEU 17 H LEU 17 -4.024 2.791 -6.635 135 HA LEU 17 HA LEU 17 -3.203 0.905 -8.554 136 HB2 LEU 17 2HB LEU 17 -5.442 1.048 -7.666 137 HB3 LEU 17 1HB LEU 17 -5.634 2.652 -8.321 138 HG LEU 17 HG LEU 17 -5.666 1.732 -10.592 139 HD11 LEU 17 1HD1 LEU 17 -5.761 -0.678 -10.933 140 HD12 LEU 17 2HD1 LEU 17 -5.447 -0.945 -9.219 141 HD13 LEU 17 3HD1 LEU 17 -4.208 -0.212 -10.241 142 HD21 LEU 17 3HD2 LEU 17 -7.516 0.477 -8.593 143 HD22 LEU 17 1HD2 LEU 17 -7.764 0.452 -10.338 144 HD23 LEU 17 2HD2 LEU 17 -7.737 1.992 -9.471 145 H GLY 18 H GLY 18 -3.796 4.400 -8.684 146 HA2 GLY 18 2HA GLY 18 -3.442 4.615 -11.493 147 HA3 GLY 18 1HA GLY 18 -3.478 5.939 -10.339 148 H SER 19 H SER 19 -1.242 4.873 -8.777 149 HA SER 19 HA SER 19 0.812 6.032 -10.426 150 HB2 SER 19 2HB SER 19 0.939 4.996 -7.606 151 HB3 SER 19 1HB SER 19 2.192 5.939 -8.415 152 HG SER 19 HG SER 19 -0.368 6.697 -7.564 153 H ASN 20 H ASN 20 0.200 2.853 -8.963 154 HA ASN 20 HA ASN 20 2.817 1.994 -9.919 155 HB2 ASN 20 2HB ASN 20 2.215 1.588 -7.569 156 HB3 ASN 20 1HB ASN 20 0.897 0.557 -8.105 157 HD21 ASN 20 1HD2 ASN 20 1.699 -1.277 -7.120 158 HD22 ASN 20 2HD2 ASN 20 3.127 -2.086 -7.648 159 H LYS 21 H LYS 21 -0.574 0.903 -10.085 160 HA LYS 21 HA LYS 21 -1.508 -0.885 -11.030 161 HB2 LYS 21 2HB LYS 21 0.489 -0.323 -13.252 162 HB3 LYS 21 1HB LYS 21 -0.759 -1.544 -13.390 163 HG2 LYS 21 2HG LYS 21 -1.635 0.236 -14.580 164 HG3 LYS 21 1HG LYS 21 -2.383 0.442 -13.003 165 HD2 LYS 21 2HD LYS 21 -0.764 2.162 -12.440 166 HD3 LYS 21 1HD LYS 21 0.073 1.887 -13.975 167 HE2 LYS 21 2HE LYS 21 -2.003 2.510 -15.174 168 HE3 LYS 21 1HE LYS 21 -2.744 2.882 -13.618 169 HZ1 LYS 21 3HZ LYS 21 -1.922 4.856 -14.713 170 HZ2 LYS 21 1HZ LYS 21 -0.353 4.243 -14.743 171 HZ3 LYS 21 2HZ LYS 21 -1.093 4.601 -13.277 172 H ASN 22 H ASN 22 1.019 -2.203 -12.837 173 HA ASN 22 HA ASN 22 2.352 -3.975 -12.705 174 HB2 ASN 22 2HB ASN 22 3.764 -2.426 -11.576 175 HB3 ASN 22 1HB ASN 22 2.941 -2.685 -10.051 176 HD21 ASN 22 1HD2 ASN 22 5.200 -4.020 -12.344 177 HD22 ASN 22 2HD2 ASN 22 5.903 -5.170 -11.265 178 H TYR 23 H TYR 23 -0.157 -4.045 -10.444 179 HA TYR 23 HA TYR 23 0.163 -6.954 -10.171 180 HB2 TYR 23 2HB TYR 23 -0.812 -4.997 -8.080 181 HB3 TYR 23 1HB TYR 23 -0.976 -6.737 -7.958 182 HD1 TYR 23 1HD TYR 23 1.092 -8.125 -7.759 183 HD2 TYR 23 2HD TYR 23 1.167 -3.892 -7.437 184 HE1 TYR 23 1HE TYR 23 3.255 -8.263 -6.605 185 HE2 TYR 23 2HE TYR 23 3.335 -4.008 -6.285 186 HH TYR 23 HH TYR 23 5.168 -6.925 -6.112 187 H LYS 24 H LYS 24 -1.932 -7.981 -9.730 188 HA LYS 24 HA LYS 24 -4.118 -6.552 -11.043 189 HB2 LYS 24 2HB LYS 24 -3.509 -8.904 -11.799 190 HB3 LYS 24 1HB LYS 24 -3.959 -9.471 -10.205 191 HG2 LYS 24 2HG LYS 24 -5.843 -9.972 -11.436 192 HG3 LYS 24 1HG LYS 24 -6.274 -8.408 -10.761 193 HD2 LYS 24 2HD LYS 24 -5.162 -8.844 -13.551 194 HD3 LYS 24 1HD LYS 24 -6.866 -8.683 -13.174 195 HE2 LYS 24 2HE LYS 24 -6.433 -6.373 -12.354 196 HE3 LYS 24 1HE LYS 24 -4.732 -6.587 -12.778 197 HZ1 LYS 24 3HZ LYS 24 -5.972 -5.395 -14.488 198 HZ2 LYS 24 1HZ LYS 24 -6.939 -6.747 -14.743 199 HZ3 LYS 24 2HZ LYS 24 -5.291 -6.796 -15.061 200 H PHE 25 H PHE 25 -5.195 -5.372 -9.641 201 HA PHE 25 HA PHE 25 -4.997 -5.900 -6.850 202 HB2 PHE 25 2HB PHE 25 -6.407 -3.776 -8.424 203 HB3 PHE 25 1HB PHE 25 -6.451 -3.846 -6.659 204 HD1 PHE 25 2HD PHE 25 -4.180 -3.525 -9.577 205 HD2 PHE 25 1HD PHE 25 -4.687 -2.933 -5.398 206 HE1 PHE 25 2HE PHE 25 -2.080 -2.264 -9.504 207 HE2 PHE 25 1HE PHE 25 -2.584 -1.662 -5.326 208 HZ PHE 25 HZ PHE 25 -1.275 -1.328 -7.376 209 H VAL 26 H VAL 26 -6.507 -6.492 -5.449 210 HA VAL 26 HA VAL 26 -9.052 -7.503 -6.498 211 HB VAL 26 HB VAL 26 -7.236 -8.937 -4.541 212 HG11 VAL 26 1HG1 VAL 26 -8.799 -10.814 -4.762 213 HG12 VAL 26 2HG1 VAL 26 -9.829 -9.817 -5.788 214 HG13 VAL 26 3HG1 VAL 26 -9.576 -9.374 -4.100 215 HG21 VAL 26 3HG2 VAL 26 -6.305 -9.057 -6.781 216 HG22 VAL 26 1HG2 VAL 26 -7.848 -9.634 -7.407 217 HG23 VAL 26 2HG2 VAL 26 -6.924 -10.634 -6.285 218 H ILE 27 H ILE 27 -10.740 -7.186 -5.146 219 HA ILE 27 HA ILE 27 -10.184 -6.197 -2.465 220 HB ILE 27 HB ILE 27 -10.766 -4.297 -3.972 221 HG12 ILE 27 2HG1 ILE 27 -12.520 -3.285 -2.594 222 HG13 ILE 27 1HG1 ILE 27 -12.939 -4.871 -1.939 223 HG21 ILE 27 1HG2 ILE 27 -13.396 -5.713 -4.318 224 HG22 ILE 27 2HG2 ILE 27 -12.168 -5.462 -5.555 225 HG23 ILE 27 3HG2 ILE 27 -13.028 -4.079 -4.877 226 HD11 ILE 27 3HD1 ILE 27 -10.332 -3.405 -1.577 227 HD12 ILE 27 1HD1 ILE 27 -10.699 -5.002 -0.930 228 HD13 ILE 27 2HD1 ILE 27 -11.601 -3.611 -0.368 229 H THR 28 H THR 28 -12.025 -6.549 -0.978 230 HA THR 28 HA THR 28 -13.212 -9.136 -1.460 231 HB THR 28 HB THR 28 -13.782 -8.900 0.989 232 HG1 THR 28 1HG THR 28 -12.100 -7.115 1.753 233 HG21 THR 28 3HG2 THR 28 -10.885 -8.607 0.187 234 HG22 THR 28 1HG2 THR 28 -11.804 -10.110 0.256 235 HG23 THR 28 2HG2 THR 28 -11.462 -9.220 1.741 236 H THR 29 H THR 29 -15.472 -9.474 -0.593 237 HA THR 29 HA THR 29 -17.426 -7.862 -1.730 238 HB THR 29 HB THR 29 -18.751 -9.326 0.024 239 HG1 THR 29 1HG THR 29 -17.344 -11.174 0.603 240 HG21 THR 29 3HG2 THR 29 -17.134 -10.510 -2.248 241 HG22 THR 29 1HG2 THR 29 -18.685 -9.692 -2.430 242 HG23 THR 29 2HG2 THR 29 -18.591 -11.216 -1.548 243 H LEU 30 H LEU 30 -16.202 -8.262 1.524 244 HA LEU 30 HA LEU 30 -17.923 -6.423 2.810 245 HB2 LEU 30 2HB LEU 30 -15.148 -7.268 3.667 246 HB3 LEU 30 1HB LEU 30 -16.386 -6.570 4.689 247 HG LEU 30 HG LEU 30 -16.454 -9.309 3.416 248 HD11 LEU 30 1HD1 LEU 30 -14.927 -9.189 5.270 249 HD12 LEU 30 2HD1 LEU 30 -16.358 -10.124 5.714 250 HD13 LEU 30 3HD1 LEU 30 -16.174 -8.466 6.287 251 HD21 LEU 30 3HD2 LEU 30 -18.469 -8.008 5.245 252 HD22 LEU 30 1HD2 LEU 30 -18.506 -9.678 4.684 253 HD23 LEU 30 2HD2 LEU 30 -18.705 -8.359 3.531 254 H GLY 31 H GLY 31 -14.886 -6.142 1.118 255 HA2 GLY 31 2HA GLY 31 -14.248 -3.500 1.886 256 HA3 GLY 31 1HA GLY 31 -13.610 -4.373 0.497 257 H VAL 32 H VAL 32 -15.731 -4.795 -1.115 258 HA VAL 32 HA VAL 32 -16.087 -2.274 -2.268 259 HB VAL 32 HB VAL 32 -17.774 -3.241 -3.799 260 HG11 VAL 32 1HG1 VAL 32 -15.362 -4.968 -3.384 261 HG12 VAL 32 2HG1 VAL 32 -15.459 -3.490 -4.346 262 HG13 VAL 32 3HG1 VAL 32 -16.355 -4.928 -4.838 263 HG21 VAL 32 3HG2 VAL 32 -18.938 -4.760 -2.284 264 HG22 VAL 32 1HG2 VAL 32 -17.487 -5.750 -2.148 265 HG23 VAL 32 2HG2 VAL 32 -18.333 -5.636 -3.692 266 H SER 33 H SER 33 -18.202 -4.008 -0.082 267 HA SER 33 HA SER 33 -20.291 -2.109 -0.391 268 HB2 SER 33 2HB SER 33 -21.302 -3.337 1.551 269 HB3 SER 33 1HB SER 33 -20.880 -4.343 0.167 270 HG SER 33 HG SER 33 -19.359 -5.304 1.282 271 H PHE 34 H PHE 34 -17.451 -2.303 1.544 272 HA PHE 34 HA PHE 34 -18.193 -0.469 3.586 273 HB2 PHE 34 2HB PHE 34 -16.233 -2.011 3.763 274 HB3 PHE 34 1HB PHE 34 -15.450 -1.139 2.462 275 HD1 PHE 34 2HD PHE 34 -16.606 -0.888 5.955 276 HD2 PHE 34 1HD PHE 34 -14.220 0.835 2.884 277 HE1 PHE 34 2HE PHE 34 -15.540 0.584 7.613 278 HE2 PHE 34 1HE PHE 34 -13.147 2.310 4.533 279 HZ PHE 34 HZ PHE 34 -13.806 2.187 6.902 280 H ALA 35 H ALA 35 -16.675 -0.231 0.440 281 HA ALA 35 HA ALA 35 -16.237 2.555 0.475 282 HB1 ALA 35 1HB ALA 35 -16.613 0.695 -1.861 283 HB2 ALA 35 2HB ALA 35 -15.068 1.171 -1.136 284 HB3 ALA 35 3HB ALA 35 -16.061 2.360 -1.971 285 H ILE 36 H ILE 36 -18.883 0.557 -0.716 286 HA ILE 36 HA ILE 36 -20.487 2.528 -1.867 287 HB ILE 36 HB ILE 36 -21.368 0.014 -0.432 288 HG12 ILE 36 2HG1 ILE 36 -19.908 -0.488 -2.316 289 HG13 ILE 36 1HG1 ILE 36 -21.555 -0.979 -2.680 290 HG21 ILE 36 1HG2 ILE 36 -23.233 1.537 -0.585 291 HG22 ILE 36 2HG2 ILE 36 -23.460 0.182 -1.688 292 HG23 ILE 36 3HG2 ILE 36 -22.949 1.749 -2.315 293 HD11 ILE 36 3HD1 ILE 36 -20.521 0.016 -4.616 294 HD12 ILE 36 1HD1 ILE 36 -20.146 1.478 -3.703 295 HD13 ILE 36 2HD1 ILE 36 -21.824 1.055 -4.039 296 H LYS 37 H LYS 37 -20.609 1.278 1.465 297 HA LYS 37 HA LYS 37 -22.752 2.945 2.218 298 HB2 LYS 37 2HB LYS 37 -22.260 2.322 4.558 299 HB3 LYS 37 1HB LYS 37 -22.376 0.946 3.473 300 HG2 LYS 37 2HG LYS 37 -19.995 0.683 3.453 301 HG3 LYS 37 1HG LYS 37 -19.773 2.174 4.365 302 HD2 LYS 37 2HD LYS 37 -19.507 0.191 5.780 303 HD3 LYS 37 1HD LYS 37 -20.873 1.180 6.291 304 HE2 LYS 37 2HE LYS 37 -21.401 -1.200 6.372 305 HE3 LYS 37 1HE LYS 37 -22.409 -0.369 5.194 306 HZ1 LYS 37 3HZ LYS 37 -20.008 -1.996 4.570 307 HZ2 LYS 37 1HZ LYS 37 -21.004 -1.237 3.429 308 HZ3 LYS 37 2HZ LYS 37 -21.602 -2.477 4.381 309 H SER 38 H SER 38 -19.354 3.637 2.115 310 HA SER 38 HA SER 38 -19.902 5.989 3.732 311 HB2 SER 38 2HB SER 38 -17.953 4.642 4.400 312 HB3 SER 38 1HB SER 38 -17.208 4.939 2.831 313 HG SER 38 HG SER 38 -16.383 6.428 4.242 314 H GLY 39 H GLY 39 -19.177 5.115 0.431 315 HA2 GLY 39 2HA GLY 39 -19.680 6.601 -1.360 316 HA3 GLY 39 1HA GLY 39 -19.429 7.961 -0.269 317 H ILE 40 H ILE 40 -17.418 5.153 -0.815 318 HA ILE 40 HA ILE 40 -15.137 6.910 -1.403 319 HB ILE 40 HB ILE 40 -15.190 3.951 -0.687 320 HG12 ILE 40 2HG1 ILE 40 -14.525 6.312 1.085 321 HG13 ILE 40 1HG1 ILE 40 -16.035 5.416 1.133 322 HG21 ILE 40 1HG2 ILE 40 -12.882 5.899 -0.771 323 HG22 ILE 40 2HG2 ILE 40 -13.191 4.617 -1.940 324 HG23 ILE 40 3HG2 ILE 40 -12.789 4.208 -0.273 325 HD11 ILE 40 3HD1 ILE 40 -14.571 4.728 2.929 326 HD12 ILE 40 1HD1 ILE 40 -13.296 4.341 1.773 327 HD13 ILE 40 2HD1 ILE 40 -14.793 3.405 1.797 328 H ASP 41 H ASP 41 -13.891 6.500 -3.306 329 HA ASP 41 HA ASP 41 -15.368 5.659 -5.570 330 HB2 ASP 41 2HB ASP 41 -12.451 6.307 -5.252 331 HB3 ASP 41 1HB ASP 41 -13.124 5.793 -6.783 332 H ILE 42 H ILE 42 -15.963 3.622 -5.490 333 HA ILE 42 HA ILE 42 -13.805 1.649 -5.427 334 HB ILE 42 HB ILE 42 -15.551 1.260 -3.741 335 HG12 ILE 42 2HG1 ILE 42 -16.109 -1.113 -4.284 336 HG13 ILE 42 1HG1 ILE 42 -15.515 -0.835 -5.918 337 HG21 ILE 42 1HG2 ILE 42 -17.469 2.234 -4.811 338 HG22 ILE 42 2HG2 ILE 42 -17.824 0.565 -4.356 339 HG23 ILE 42 3HG2 ILE 42 -17.471 0.966 -6.037 340 HD11 ILE 42 3HD1 ILE 42 -13.860 -1.965 -4.532 341 HD12 ILE 42 1HD1 ILE 42 -13.886 -0.623 -3.391 342 HD13 ILE 42 2HD1 ILE 42 -13.284 -0.378 -5.033 343 H ASP 43 H ASP 43 -16.454 2.894 -7.299 344 HA ASP 43 HA ASP 43 -16.629 0.905 -9.270 345 HB2 ASP 43 2HB ASP 43 -17.263 3.854 -9.462 346 HB3 ASP 43 1HB ASP 43 -17.714 2.656 -10.664 347 H SER 44 H SER 44 -14.858 3.963 -9.221 348 HA SER 44 HA SER 44 -13.654 3.665 -11.720 349 HB2 SER 44 2HB SER 44 -13.754 5.815 -10.460 350 HB3 SER 44 1HB SER 44 -12.592 5.171 -9.303 351 HG SER 44 HG SER 44 -12.028 5.238 -12.055 352 H ALA 45 H ALA 45 -12.732 2.512 -8.516 353 HA ALA 45 HA ALA 45 -10.134 1.642 -9.211 354 HB1 ALA 45 1HB ALA 45 -10.815 1.936 -6.872 355 HB2 ALA 45 2HB ALA 45 -10.244 0.290 -7.164 356 HB3 ALA 45 3HB ALA 45 -11.971 0.613 -7.044 357 H LEU 46 H LEU 46 -13.230 -0.055 -8.988 358 HA LEU 46 HA LEU 46 -12.399 -2.594 -9.815 359 HB2 LEU 46 2HB LEU 46 -15.051 -1.253 -10.349 360 HB3 LEU 46 1HB LEU 46 -14.751 -2.973 -10.444 361 HG LEU 46 HG LEU 46 -14.667 -1.287 -7.942 362 HD11 LEU 46 1HD1 LEU 46 -16.916 -1.609 -8.764 363 HD12 LEU 46 2HD1 LEU 46 -16.653 -2.549 -7.293 364 HD13 LEU 46 3HD1 LEU 46 -16.655 -3.352 -8.860 365 HD21 LEU 46 3HD2 LEU 46 -14.310 -4.268 -8.280 366 HD22 LEU 46 1HD2 LEU 46 -14.455 -3.418 -6.743 367 HD23 LEU 46 2HD2 LEU 46 -13.069 -3.117 -7.788 368 H ASP 47 H ASP 47 -13.596 0.127 -11.677 369 HA ASP 47 HA ASP 47 -13.505 -1.010 -14.238 370 HB2 ASP 47 2HB ASP 47 -14.730 1.013 -13.823 371 HB3 ASP 47 1HB ASP 47 -13.263 1.853 -13.336 372 H ARG 48 H ARG 48 -11.033 0.775 -12.431 373 HA ARG 48 HA ARG 48 -9.168 0.786 -14.580 374 HB2 ARG 48 2HB ARG 48 -8.849 1.319 -11.669 375 HB3 ARG 48 1HB ARG 48 -7.518 1.463 -12.812 376 HG2 ARG 48 2HG ARG 48 -8.771 3.237 -13.965 377 HG3 ARG 48 1HG ARG 48 -10.072 3.061 -12.770 378 HD2 ARG 48 2HD ARG 48 -8.439 3.475 -10.999 379 HD3 ARG 48 1HD ARG 48 -7.211 3.786 -12.214 380 HE ARG 48 HE ARG 48 -9.651 5.408 -12.051 381 HH11 ARG 48 1HH1 ARG 48 -6.120 5.186 -12.284 382 HH12 ARG 48 2HH1 ARG 48 -5.854 6.844 -12.010 383 HH21 ARG 48 1HH2 ARG 48 -9.246 7.756 -11.643 384 HH22 ARG 48 2HH2 ARG 48 -7.643 8.312 -11.641 385 H GLY 49 H GLY 49 -10.100 -1.710 -12.534 386 HA2 GLY 49 2HA GLY 49 -9.077 -3.837 -13.440 387 HA3 GLY 49 1HA GLY 49 -7.540 -3.064 -13.141 388 H VAL 50 H VAL 50 -10.019 -2.621 -10.746 389 HA VAL 50 HA VAL 50 -8.635 -4.556 -9.049 390 HB VAL 50 HB VAL 50 -10.732 -2.465 -8.271 391 HG11 VAL 50 1HG1 VAL 50 -9.023 -4.242 -6.535 392 HG12 VAL 50 2HG1 VAL 50 -10.758 -4.403 -6.795 393 HG13 VAL 50 3HG1 VAL 50 -10.119 -2.980 -5.968 394 HG21 VAL 50 3HG2 VAL 50 -8.640 -1.428 -8.938 395 HG22 VAL 50 1HG2 VAL 50 -7.746 -2.465 -7.826 396 HG23 VAL 50 2HG2 VAL 50 -8.883 -1.283 -7.196 397 H ILE 51 H ILE 51 -9.502 -6.512 -8.850 398 HA ILE 51 HA ILE 51 -12.273 -6.866 -9.733 399 HB ILE 51 HB ILE 51 -11.772 -9.284 -9.911 400 HG12 ILE 51 2HG1 ILE 51 -8.916 -8.469 -9.289 401 HG13 ILE 51 1HG1 ILE 51 -9.967 -9.376 -8.209 402 HG21 ILE 51 1HG2 ILE 51 -9.911 -7.482 -11.450 403 HG22 ILE 51 2HG2 ILE 51 -11.577 -7.879 -11.867 404 HG23 ILE 51 3HG2 ILE 51 -10.336 -9.134 -11.895 405 HD11 ILE 51 3HD1 ILE 51 -10.032 -11.209 -9.833 406 HD12 ILE 51 1HD1 ILE 51 -8.383 -10.840 -9.330 407 HD13 ILE 51 2HD1 ILE 51 -8.967 -10.295 -10.900 408 H VAL 52 H VAL 52 -13.654 -8.322 -8.577 409 HA VAL 52 HA VAL 52 -13.277 -8.007 -5.698 410 HB VAL 52 HB VAL 52 -15.784 -8.818 -7.208 411 HG11 VAL 52 1HG1 VAL 52 -15.430 -7.913 -4.350 412 HG12 VAL 52 2HG1 VAL 52 -15.817 -9.545 -4.887 413 HG13 VAL 52 3HG1 VAL 52 -16.973 -8.238 -5.139 414 HG21 VAL 52 3HG2 VAL 52 -16.575 -6.516 -6.822 415 HG22 VAL 52 1HG2 VAL 52 -15.144 -6.566 -7.852 416 HG23 VAL 52 2HG2 VAL 52 -14.994 -6.103 -6.160 417 H ARG 53 H ARG 53 -13.031 -9.707 -4.397 418 HA ARG 53 HA ARG 53 -13.408 -12.435 -5.466 419 HB2 ARG 53 2HB ARG 53 -11.043 -11.926 -5.119 420 HB3 ARG 53 1HB ARG 53 -11.380 -11.328 -3.516 421 HG2 ARG 53 2HG ARG 53 -10.340 -13.423 -3.231 422 HG3 ARG 53 1HG ARG 53 -12.040 -13.692 -2.899 423 HD2 ARG 53 2HD ARG 53 -10.886 -14.234 -5.611 424 HD3 ARG 53 1HD ARG 53 -10.698 -15.400 -4.311 425 HE ARG 53 HE ARG 53 -13.243 -14.534 -5.502 426 HH11 ARG 53 1HH1 ARG 53 -11.368 -16.959 -3.571 427 HH12 ARG 53 2HH1 ARG 53 -12.609 -18.105 -3.703 428 HH21 ARG 53 1HH2 ARG 53 -14.883 -16.216 -5.577 429 HH22 ARG 53 2HH2 ARG 53 -14.586 -17.714 -4.811 430 H ALA 54 H ALA 54 -14.990 -13.446 -4.382 431 HA ALA 54 HA ALA 54 -15.795 -12.436 -1.759 432 HB1 ALA 54 1HB ALA 54 -17.874 -13.695 -2.193 433 HB2 ALA 54 2HB ALA 54 -17.218 -14.203 -3.752 434 HB3 ALA 54 3HB ALA 54 -17.553 -12.501 -3.449 435 H PHE 55 H PHE 55 -14.871 -13.529 -0.171 436 HA PHE 55 HA PHE 55 -13.732 -16.111 -0.626 437 HB2 PHE 55 2HB PHE 55 -12.985 -14.105 0.936 438 HB3 PHE 55 1HB PHE 55 -14.030 -14.915 2.093 439 HD1 PHE 55 2HD PHE 55 -13.599 -17.598 2.097 440 HD2 PHE 55 1HD PHE 55 -10.808 -14.602 1.041 441 HE1 PHE 55 2HE PHE 55 -11.770 -19.138 2.573 442 HE2 PHE 55 1HE PHE 55 -8.984 -16.105 1.516 443 HZ PHE 55 HZ PHE 55 -9.438 -18.402 2.283 444 H SER 56 H SER 56 -14.515 -18.048 0.102 445 HA SER 56 HA SER 56 -17.294 -18.096 0.751 446 HB2 SER 56 2HB SER 56 -15.337 -20.366 0.369 447 HB3 SER 56 1HB SER 56 -17.096 -20.509 0.437 448 HG SER 56 HG SER 56 -17.290 -19.539 -1.466 449 H HIS 57 H HIS 57 -14.328 -19.496 2.398 450 HA HIS 57 HA HIS 57 -15.175 -18.640 4.938 451 HB2 HIS 57 2HB HIS 57 -15.831 -20.791 6.020 452 HB3 HIS 57 1HB HIS 57 -16.986 -20.225 4.826 453 HD1 HIS 57 1HD HIS 57 -15.277 -23.233 5.884 454 HD2 HIS 57 2HD HIS 57 -16.603 -21.723 2.249 455 HE1 HIS 57 1HE HIS 57 -15.448 -25.190 4.374 456 HE2 HIS 57 2HE HIS 57 -16.514 -24.285 2.282 457 H LYS 58 H LYS 58 -13.115 -18.121 5.474 458 HA LYS 58 HA LYS 58 -11.493 -20.418 6.281 459 HB2 LYS 58 2HB LYS 58 -10.673 -18.857 4.207 460 HB3 LYS 58 1HB LYS 58 -10.072 -17.905 5.544 461 HG2 LYS 58 2HG LYS 58 -9.376 -20.798 5.035 462 HG3 LYS 58 1HG LYS 58 -8.390 -19.426 4.558 463 HD2 LYS 58 2HD LYS 58 -8.077 -18.831 6.913 464 HD3 LYS 58 1HD LYS 58 -9.113 -20.174 7.404 465 HE2 LYS 58 2HE LYS 58 -7.555 -21.747 6.339 466 HE3 LYS 58 1HE LYS 58 -6.518 -20.400 5.882 467 HZ1 LYS 58 3HZ LYS 58 -5.722 -21.538 7.847 468 HZ2 LYS 58 1HZ LYS 58 -7.141 -21.241 8.670 469 HZ3 LYS 58 2HZ LYS 58 -6.153 -19.965 8.261 470 HA PRO 59 HA PRO 59 -12.237 -17.976 10.011 471 HB2 PRO 59 2HB PRO 59 -10.763 -19.592 11.678 472 HB3 PRO 59 1HB PRO 59 -12.447 -19.919 11.245 473 HG2 PRO 59 2HG PRO 59 -9.930 -21.081 10.128 474 HG3 PRO 59 1HG PRO 59 -11.465 -21.885 10.497 475 HD2 PRO 59 2HD PRO 59 -10.769 -21.228 7.997 476 HD3 PRO 59 1HD PRO 59 -12.453 -21.164 8.537 477 HA PRO 60 HA PRO 60 -8.180 -16.016 9.790 478 HB2 PRO 60 2HB PRO 60 -8.919 -13.573 10.531 479 HB3 PRO 60 1HB PRO 60 -9.395 -14.227 8.961 480 HG2 PRO 60 2HG PRO 60 -11.014 -13.898 11.442 481 HG3 PRO 60 1HG PRO 60 -11.513 -13.750 9.750 482 HD2 PRO 60 2HD PRO 60 -11.879 -16.005 11.404 483 HD3 PRO 60 1HD PRO 60 -12.073 -15.942 9.641 484 H LYS 61 H LYS 61 -6.745 -14.838 11.303 485 HA LYS 61 HA LYS 61 -7.404 -15.371 14.112 486 HB2 LYS 61 2HB LYS 61 -4.694 -15.057 12.811 487 HB3 LYS 61 1HB LYS 61 -4.983 -15.353 14.513 488 HG2 LYS 61 2HG LYS 61 -5.956 -17.542 13.932 489 HG3 LYS 61 1HG LYS 61 -5.555 -17.232 12.238 490 HD2 LYS 61 2HD LYS 61 -3.214 -17.040 12.793 491 HD3 LYS 61 1HD LYS 61 -3.578 -17.252 14.504 492 HE2 LYS 61 2HE LYS 61 -4.497 -19.490 13.959 493 HE3 LYS 61 1HE LYS 61 -3.947 -19.261 12.297 494 HZ1 LYS 61 3HZ LYS 61 -2.370 -20.520 13.630 495 HZ2 LYS 61 1HZ LYS 61 -2.187 -19.227 14.688 496 HZ3 LYS 61 2HZ LYS 61 -1.682 -19.078 13.089 497 H VAL 62 H VAL 62 -8.105 -13.535 14.935 498 HA VAL 62 HA VAL 62 -6.589 -11.117 14.811 499 HB VAL 62 HB VAL 62 -8.627 -9.729 14.107 500 HG11 VAL 62 1HG1 VAL 62 -8.228 -9.912 11.696 501 HG12 VAL 62 2HG1 VAL 62 -7.384 -11.440 11.954 502 HG13 VAL 62 3HG1 VAL 62 -6.715 -9.946 12.604 503 HG21 VAL 62 3HG2 VAL 62 -9.547 -12.372 12.981 504 HG22 VAL 62 1HG2 VAL 62 -10.289 -10.804 12.652 505 HG23 VAL 62 2HG2 VAL 62 -10.315 -11.473 14.286 506 H GLY 63 H GLY 63 -7.480 -9.551 16.256 507 HA2 GLY 63 2HA GLY 63 -9.530 -10.589 18.090 508 HA3 GLY 63 1HA GLY 63 -8.005 -9.969 18.718 509 H ASN 64 H ASN 64 -7.449 -7.778 17.565 510 HA ASN 64 HA ASN 64 -9.659 -5.997 18.222 511 HB2 ASN 64 2HB ASN 64 -7.897 -4.201 18.143 512 HB3 ASN 64 1HB ASN 64 -7.588 -5.458 19.332 513 HD21 ASN 64 1HD2 ASN 64 -6.523 -4.049 16.321 514 HD22 ASN 64 2HD2 ASN 64 -5.058 -4.969 16.215 515 H LEU 65 H LEU 65 -8.609 -7.463 15.511 516 HA LEU 65 HA LEU 65 -9.109 -5.149 13.836 517 HB2 LEU 65 2HB LEU 65 -8.045 -7.871 13.154 518 HB3 LEU 65 1HB LEU 65 -8.400 -6.641 11.960 519 HG LEU 65 HG LEU 65 -6.348 -6.416 14.153 520 HD11 LEU 65 1HD1 LEU 65 -5.725 -8.006 12.444 521 HD12 LEU 65 2HD1 LEU 65 -4.742 -6.545 12.322 522 HD13 LEU 65 3HD1 LEU 65 -6.066 -6.822 11.187 523 HD21 LEU 65 3HD2 LEU 65 -7.091 -4.535 11.910 524 HD22 LEU 65 1HD2 LEU 65 -5.657 -4.380 12.923 525 HD23 LEU 65 2HD2 LEU 65 -7.251 -4.237 13.644 526 HA PRO 66 HA PRO 66 -13.272 -6.517 13.036 527 HB2 PRO 66 2HB PRO 66 -13.007 -4.913 10.573 528 HB3 PRO 66 1HB PRO 66 -14.169 -4.750 11.889 529 HG2 PRO 66 2HG PRO 66 -12.208 -2.972 11.571 530 HG3 PRO 66 1HG PRO 66 -12.726 -3.489 13.187 531 HD2 PRO 66 2HD PRO 66 -10.329 -4.341 11.610 532 HD3 PRO 66 1HD PRO 66 -10.493 -3.946 13.340 533 H GLN 67 H GLN 67 -14.406 -7.743 11.457 534 HA GLN 67 HA GLN 67 -12.776 -9.658 10.224 535 HB2 GLN 67 2HB GLN 67 -15.056 -10.114 11.145 536 HB3 GLN 67 1HB GLN 67 -15.726 -9.287 9.746 537 HG2 GLN 67 2HG GLN 67 -14.727 -10.935 8.264 538 HG3 GLN 67 1HG GLN 67 -14.002 -11.753 9.645 539 HE21 GLN 67 1HE2 GLN 67 -16.903 -11.166 7.872 540 HE22 GLN 67 2HE2 GLN 67 -17.866 -12.331 8.683 541 H TYR 68 H TYR 68 -14.280 -6.748 8.931 542 HA TYR 68 HA TYR 68 -13.948 -7.542 6.267 543 HB2 TYR 68 2HB TYR 68 -13.999 -5.038 5.652 544 HB3 TYR 68 1HB TYR 68 -15.402 -5.724 6.427 545 HD1 TYR 68 1HD TYR 68 -12.269 -3.866 7.369 546 HD2 TYR 68 2HD TYR 68 -16.403 -4.529 8.085 547 HE1 TYR 68 1HE TYR 68 -12.280 -2.035 9.019 548 HE2 TYR 68 2HE TYR 68 -16.424 -2.723 9.732 549 HH TYR 68 HH TYR 68 -14.882 -1.585 11.172 550 H GLU 69 H GLU 69 -11.609 -6.073 8.409 551 HA GLU 69 HA GLU 69 -9.573 -5.802 6.425 552 HB2 GLU 69 2HB GLU 69 -9.314 -6.210 9.419 553 HB3 GLU 69 1HB GLU 69 -8.021 -5.720 8.345 554 HG2 GLU 69 2HG GLU 69 -10.493 -4.130 8.989 555 HG3 GLU 69 1HG GLU 69 -8.873 -3.845 9.618 556 H SER 70 H SER 70 -10.636 -8.260 8.624 557 HA SER 70 HA SER 70 -8.525 -10.083 8.396 558 HB2 SER 70 2HB SER 70 -11.418 -10.663 9.004 559 HB3 SER 70 1HB SER 70 -10.032 -11.663 9.428 560 HG SER 70 HG SER 70 -10.624 -9.054 10.454 561 H GLU 71 H GLU 71 -11.567 -9.783 6.569 562 HA GLU 71 HA GLU 71 -11.298 -12.144 5.011 563 HB2 GLU 71 2HB GLU 71 -13.347 -10.641 5.389 564 HB3 GLU 71 1HB GLU 71 -12.653 -9.594 4.159 565 HG2 GLU 71 2HG GLU 71 -14.204 -10.920 3.064 566 HG3 GLU 71 1HG GLU 71 -12.637 -11.622 2.646 567 H ALA 72 H ALA 72 -10.146 -8.826 4.631 568 HA ALA 72 HA ALA 72 -9.178 -9.125 1.995 569 HB1 ALA 72 1HB ALA 72 -8.184 -7.301 4.189 570 HB2 ALA 72 2HB ALA 72 -9.477 -6.923 3.050 571 HB3 ALA 72 3HB ALA 72 -7.824 -7.134 2.472 572 H ILE 73 H ILE 73 -7.681 -9.523 5.163 573 HA ILE 73 HA ILE 73 -5.139 -10.381 4.334 574 HB ILE 73 HB ILE 73 -6.666 -11.294 6.802 575 HG12 ILE 73 2HG1 ILE 73 -4.685 -9.020 6.484 576 HG13 ILE 73 1HG1 ILE 73 -6.421 -8.840 6.703 577 HG21 ILE 73 1HG2 ILE 73 -4.456 -11.797 7.756 578 HG22 ILE 73 2HG2 ILE 73 -3.706 -11.374 6.218 579 HG23 ILE 73 3HG2 ILE 73 -4.790 -12.763 6.316 580 HD11 ILE 73 3HD1 ILE 73 -6.234 -9.863 8.929 581 HD12 ILE 73 1HD1 ILE 73 -5.225 -8.422 8.794 582 HD13 ILE 73 2HD1 ILE 73 -4.497 -10.022 8.700 583 H MET 74 H MET 74 -8.100 -12.215 4.974 584 HA MET 74 HA MET 74 -7.055 -14.781 4.449 585 HB2 MET 74 2HB MET 74 -9.886 -13.787 4.206 586 HB3 MET 74 1HB MET 74 -9.413 -15.467 4.081 587 HG2 MET 74 2HG MET 74 -9.067 -13.736 6.522 588 HG3 MET 74 1HG MET 74 -10.384 -14.866 6.269 589 HE1 MET 74 3HE MET 74 -6.873 -14.320 7.705 590 HE2 MET 74 1HE MET 74 -6.296 -14.879 6.139 591 HE3 MET 74 2HE MET 74 -6.066 -15.875 7.563 592 H VAL 75 H VAL 75 -8.691 -12.523 2.272 593 HA VAL 75 HA VAL 75 -8.550 -14.230 0.050 594 HB VAL 75 HB VAL 75 -8.774 -11.205 0.210 595 HG11 VAL 75 1HG1 VAL 75 -9.340 -11.273 -2.227 596 HG12 VAL 75 2HG1 VAL 75 -8.742 -12.948 -2.258 597 HG13 VAL 75 3HG1 VAL 75 -7.655 -11.631 -1.873 598 HG21 VAL 75 3HG2 VAL 75 -10.716 -13.385 -0.576 599 HG22 VAL 75 1HG2 VAL 75 -11.054 -11.666 -0.645 600 HG23 VAL 75 2HG2 VAL 75 -10.753 -12.432 0.907 601 H ALA 76 H ALA 76 -6.247 -11.872 1.274 602 HA ALA 76 HA ALA 76 -4.373 -12.193 -0.818 603 HB1 ALA 76 1HB ALA 76 -4.344 -10.271 0.702 604 HB2 ALA 76 2HB ALA 76 -2.790 -11.103 0.686 605 HB3 ALA 76 3HB ALA 76 -3.903 -11.337 2.036 606 H PHE 77 H PHE 77 -5.023 -13.960 2.083 607 HA PHE 77 HA PHE 77 -2.635 -15.551 2.003 608 HB2 PHE 77 2HB PHE 77 -3.846 -14.989 4.102 609 HB3 PHE 77 1HB PHE 77 -5.215 -15.934 3.547 610 HD1 PHE 77 1HD PHE 77 -1.584 -16.255 4.289 611 HD2 PHE 77 2HD PHE 77 -5.398 -18.129 4.213 612 HE1 PHE 77 1HE PHE 77 -0.631 -18.223 5.409 613 HE2 PHE 77 2HE PHE 77 -4.456 -20.099 5.321 614 HZ PHE 77 HZ PHE 77 -2.066 -20.153 5.924 615 H GLU 78 H GLU 78 -5.875 -15.774 0.756 616 HA GLU 78 HA GLU 78 -5.755 -18.521 -0.005 617 HB2 GLU 78 2HB GLU 78 -7.923 -17.433 0.293 618 HB3 GLU 78 1HB GLU 78 -7.555 -16.280 -0.985 619 HG2 GLU 78 2HG GLU 78 -7.498 -18.117 -2.599 620 HG3 GLU 78 1HG GLU 78 -7.909 -19.252 -1.319 621 H LEU 79 H LEU 79 -5.330 -15.462 -1.714 622 HA LEU 79 HA LEU 79 -4.706 -16.764 -4.223 623 HB2 LEU 79 2HB LEU 79 -4.596 -13.869 -3.411 624 HB3 LEU 79 1HB LEU 79 -4.380 -14.467 -5.041 625 HG LEU 79 HG LEU 79 -6.912 -14.721 -3.428 626 HD11 LEU 79 1HD1 LEU 79 -7.788 -13.012 -4.963 627 HD12 LEU 79 2HD1 LEU 79 -6.186 -12.850 -5.686 628 HD13 LEU 79 3HD1 LEU 79 -6.444 -12.398 -4.001 629 HD21 LEU 79 3HD2 LEU 79 -7.909 -15.360 -5.582 630 HD22 LEU 79 1HD2 LEU 79 -6.664 -16.497 -5.062 631 HD23 LEU 79 2HD2 LEU 79 -6.309 -15.315 -6.321 632 H ASN 80 H ASN 80 -3.011 -15.901 -1.471 633 HA ASN 80 HA ASN 80 -0.884 -15.526 -0.877 634 HB2 ASN 80 2HB ASN 80 -0.528 -17.795 -1.949 635 HB3 ASN 80 1HB ASN 80 -0.108 -16.977 -3.450 636 HD21 ASN 80 1HD2 ASN 80 0.940 -17.836 -0.276 637 HD22 ASN 80 2HD2 ASN 80 2.576 -17.311 -0.436 638 H ALA 81 H ALA 81 -1.639 -13.450 -1.363 639 HA ALA 81 HA ALA 81 -0.492 -12.224 -3.776 640 HB1 ALA 81 1HB ALA 81 -2.923 -12.397 -3.796 641 HB2 ALA 81 2HB ALA 81 -2.375 -10.722 -3.779 642 HB3 ALA 81 3HB ALA 81 -2.996 -11.461 -2.303 643 H LEU 82 H LEU 82 -0.605 -9.740 -3.447 644 HA LEU 82 HA LEU 82 1.138 -9.084 -1.222 645 HB2 LEU 82 2HB LEU 82 1.438 -8.506 -3.753 646 HB3 LEU 82 1HB LEU 82 0.136 -7.379 -3.518 647 HG LEU 82 HG LEU 82 2.300 -6.280 -3.566 648 HD11 LEU 82 1HD1 LEU 82 2.182 -4.974 -1.525 649 HD12 LEU 82 2HD1 LEU 82 1.063 -6.152 -0.837 650 HD13 LEU 82 3HD1 LEU 82 0.594 -5.212 -2.254 651 HD21 LEU 82 3HD2 LEU 82 2.966 -7.920 -1.134 652 HD22 LEU 82 1HD2 LEU 82 3.949 -6.619 -1.801 653 HD23 LEU 82 2HD2 LEU 82 3.669 -8.089 -2.739 654 H LEU 83 H LEU 83 0.238 -7.932 0.529 655 HA LEU 83 HA LEU 83 -2.566 -7.135 0.161 656 HB2 LEU 83 2HB LEU 83 -2.188 -8.843 1.907 657 HB3 LEU 83 1HB LEU 83 -1.128 -7.734 2.749 658 HG LEU 83 HG LEU 83 -3.071 -6.180 3.020 659 HD11 LEU 83 1HD1 LEU 83 -5.322 -7.073 2.745 660 HD12 LEU 83 2HD1 LEU 83 -4.659 -8.529 2.011 661 HD13 LEU 83 3HD1 LEU 83 -4.469 -6.971 1.208 662 HD21 LEU 83 3HD2 LEU 83 -4.136 -7.473 4.809 663 HD22 LEU 83 1HD2 LEU 83 -2.380 -7.611 4.840 664 HD23 LEU 83 2HD2 LEU 83 -3.355 -8.934 4.202 665 H ILE 84 H ILE 84 -3.109 -5.098 0.314 666 HA ILE 84 HA ILE 84 -1.075 -3.168 1.206 667 HB ILE 84 HB ILE 84 -3.456 -2.672 -0.615 668 HG12 ILE 84 2HG1 ILE 84 -0.537 -3.040 -1.381 669 HG13 ILE 84 1HG1 ILE 84 -1.809 -4.216 -1.642 670 HG21 ILE 84 1HG2 ILE 84 -1.030 -0.979 0.032 671 HG22 ILE 84 2HG2 ILE 84 -2.676 -0.689 0.596 672 HG23 ILE 84 3HG2 ILE 84 -2.296 -0.553 -1.120 673 HD11 ILE 84 3HD1 ILE 84 -1.724 -1.473 -2.849 674 HD12 ILE 84 1HD1 ILE 84 -2.938 -2.712 -3.156 675 HD13 ILE 84 2HD1 ILE 84 -1.266 -2.969 -3.666 676 H ALA 85 H ALA 85 -1.535 -2.355 3.157 677 HA ALA 85 HA ALA 85 -4.315 -1.835 3.872 678 HB1 ALA 85 1HB ALA 85 -2.419 -3.441 5.582 679 HB2 ALA 85 2HB ALA 85 -3.835 -4.073 4.742 680 HB3 ALA 85 3HB ALA 85 -4.032 -2.905 6.050 681 H GLU 86 H GLU 86 -4.516 -0.149 5.329 682 HA GLU 86 HA GLU 86 -2.048 1.317 5.766 683 HB2 GLU 86 2HB GLU 86 -4.888 2.139 5.675 684 HB3 GLU 86 1HB GLU 86 -3.801 3.070 6.692 685 HG2 GLU 86 2HG GLU 86 -3.442 2.524 3.760 686 HG3 GLU 86 1HG GLU 86 -4.011 4.040 4.466 687 H ASP 87 H ASP 87 -4.483 -0.402 7.501 688 HA ASP 87 HA ASP 87 -3.662 0.655 10.024 689 HB2 ASP 87 2HB ASP 87 -5.926 -0.363 9.648 690 HB3 ASP 87 1HB ASP 87 -5.133 -1.930 9.505 691 H LYS 88 H LYS 88 -1.985 0.078 11.143 692 HA LYS 88 HA LYS 88 -0.130 -1.624 9.861 693 HB2 LYS 88 2HB LYS 88 0.086 -0.054 12.410 694 HB3 LYS 88 1HB LYS 88 1.417 -0.939 11.669 695 HG2 LYS 88 2HG LYS 88 1.291 0.402 9.680 696 HG3 LYS 88 1HG LYS 88 -0.146 1.222 10.278 697 HD2 LYS 88 2HD LYS 88 1.166 2.190 12.093 698 HD3 LYS 88 1HD LYS 88 2.605 1.343 11.512 699 HE2 LYS 88 2HE LYS 88 2.574 3.676 10.768 700 HE3 LYS 88 1HE LYS 88 2.485 2.563 9.404 701 HZ1 LYS 88 3HZ LYS 88 0.077 2.974 9.299 702 HZ2 LYS 88 1HZ LYS 88 0.960 4.382 9.131 703 HZ3 LYS 88 2HZ LYS 88 0.192 4.073 10.579 704 H ASP 89 H ASP 89 -2.498 -2.301 12.233 705 HA ASP 89 HA ASP 89 -0.932 -4.496 13.273 706 HB2 ASP 89 2HB ASP 89 -2.606 -3.304 14.744 707 HB3 ASP 89 1HB ASP 89 -3.889 -3.990 13.756 708 H VAL 90 H VAL 90 -3.416 -3.877 10.979 709 HA VAL 90 HA VAL 90 -3.992 -6.513 10.153 710 HB VAL 90 HB VAL 90 -3.840 -4.005 8.425 711 HG11 VAL 90 1HG1 VAL 90 -5.303 -6.594 7.900 712 HG12 VAL 90 2HG1 VAL 90 -3.836 -6.063 7.084 713 HG13 VAL 90 3HG1 VAL 90 -5.334 -5.156 6.881 714 HG21 VAL 90 3HG2 VAL 90 -5.381 -3.800 10.317 715 HG22 VAL 90 1HG2 VAL 90 -6.215 -5.254 9.783 716 HG23 VAL 90 2HG2 VAL 90 -6.232 -3.809 8.770 717 H ILE 91 H ILE 91 -1.444 -4.249 9.272 718 HA ILE 91 HA ILE 91 -0.195 -5.733 7.287 719 HB ILE 91 HB ILE 91 0.940 -3.687 9.209 720 HG12 ILE 91 2HG1 ILE 91 0.057 -3.444 6.326 721 HG13 ILE 91 1HG1 ILE 91 -0.872 -2.906 7.720 722 HG21 ILE 91 1HG2 ILE 91 2.813 -3.434 7.627 723 HG22 ILE 91 2HG2 ILE 91 2.199 -4.799 6.696 724 HG23 ILE 91 3HG2 ILE 91 2.769 -5.043 8.346 725 HD11 ILE 91 3HD1 ILE 91 0.914 -1.310 8.249 726 HD12 ILE 91 1HD1 ILE 91 0.226 -1.051 6.644 727 HD13 ILE 91 2HD1 ILE 91 1.791 -1.849 6.819 728 H ASN 92 H ASN 92 0.505 -5.618 10.802 729 HA ASN 92 HA ASN 92 2.527 -7.571 10.498 730 HB2 ASN 92 2HB ASN 92 2.631 -7.767 12.977 731 HB3 ASN 92 1HB ASN 92 2.763 -6.129 12.344 732 HD21 ASN 92 1HD2 ASN 92 0.667 -8.361 14.134 733 HD22 ASN 92 2HD2 ASN 92 -0.335 -7.101 14.751 734 H LYS 93 H LYS 93 -0.861 -7.865 11.437 735 HA LYS 93 HA LYS 93 -0.769 -10.566 12.162 736 HB2 LYS 93 2HB LYS 93 -3.026 -9.011 10.900 737 HB3 LYS 93 1HB LYS 93 -3.212 -10.634 11.523 738 HG2 LYS 93 2HG LYS 93 -2.577 -8.127 13.080 739 HG3 LYS 93 1HG LYS 93 -4.052 -9.091 13.148 740 HD2 LYS 93 2HD LYS 93 -1.304 -9.944 14.061 741 HD3 LYS 93 1HD LYS 93 -2.672 -9.516 15.079 742 HE2 LYS 93 2HE LYS 93 -3.903 -11.437 14.380 743 HE3 LYS 93 1HE LYS 93 -2.731 -11.793 13.111 744 HZ1 LYS 93 3HZ LYS 93 -2.301 -13.241 14.908 745 HZ2 LYS 93 1HZ LYS 93 -2.284 -11.968 16.034 746 HZ3 LYS 93 2HZ LYS 93 -1.077 -12.079 14.867 747 H ALA 94 H ALA 94 -1.260 -9.091 9.015 748 HA ALA 94 HA ALA 94 -1.739 -11.463 7.613 749 HB1 ALA 94 1HB ALA 94 -1.265 -10.168 5.615 750 HB2 ALA 94 2HB ALA 94 -0.542 -8.899 6.607 751 HB3 ALA 94 3HB ALA 94 -2.263 -9.252 6.741 752 H LYS 95 H LYS 95 1.284 -9.705 8.260 753 HA LYS 95 HA LYS 95 2.666 -11.654 6.748 754 HB2 LYS 95 2HB LYS 95 4.805 -10.542 7.417 755 HB3 LYS 95 1HB LYS 95 3.645 -9.550 6.559 756 HG2 LYS 95 2HG LYS 95 3.009 -8.519 8.704 757 HG3 LYS 95 1HG LYS 95 4.259 -9.488 9.500 758 HD2 LYS 95 2HD LYS 95 5.105 -7.244 9.039 759 HD3 LYS 95 1HD LYS 95 5.967 -8.426 8.054 760 HE2 LYS 95 2HE LYS 95 4.484 -7.826 6.134 761 HE3 LYS 95 1HE LYS 95 3.710 -6.624 7.152 762 HZ1 LYS 95 3HZ LYS 95 5.884 -5.480 7.316 763 HZ2 LYS 95 1HZ LYS 95 5.361 -5.626 5.730 764 HZ3 LYS 95 2HZ LYS 95 6.554 -6.635 6.289 765 H GLU 96 H GLU 96 1.737 -11.596 9.996 766 HA GLU 96 HA GLU 96 3.555 -13.581 10.922 767 HB2 GLU 96 2HB GLU 96 0.677 -13.056 11.743 768 HB3 GLU 96 1HB GLU 96 1.736 -14.191 12.559 769 HG2 GLU 96 2HG GLU 96 3.238 -12.304 13.111 770 HG3 GLU 96 1HG GLU 96 2.066 -11.206 12.383 771 H LEU 97 H LEU 97 0.707 -13.612 8.950 772 HA LEU 97 HA LEU 97 0.533 -16.504 8.895 773 HB2 LEU 97 2HB LEU 97 -0.966 -14.414 7.317 774 HB3 LEU 97 1HB LEU 97 -1.314 -16.131 7.301 775 HG LEU 97 HG LEU 97 -1.582 -14.319 9.704 776 HD11 LEU 97 1HD1 LEU 97 -3.251 -13.851 8.014 777 HD12 LEU 97 2HD1 LEU 97 -3.980 -14.653 9.406 778 HD13 LEU 97 3HD1 LEU 97 -3.669 -15.562 7.926 779 HD21 LEU 97 3HD2 LEU 97 -2.305 -17.231 9.332 780 HD22 LEU 97 1HD2 LEU 97 -2.706 -16.241 10.737 781 HD23 LEU 97 2HD2 LEU 97 -1.022 -16.594 10.367 782 H GLY 98 H GLY 98 2.384 -14.211 7.430 783 HA2 GLY 98 2HA GLY 98 4.216 -14.920 6.045 784 HA3 GLY 98 1HA GLY 98 3.158 -16.135 5.345 785 H VAL 99 H VAL 99 1.261 -13.545 5.459 786 HA VAL 99 HA VAL 99 1.546 -13.067 2.633 787 HB VAL 99 HB VAL 99 -0.308 -11.811 4.662 788 HG11 VAL 99 1HG1 VAL 99 -0.461 -11.833 1.646 789 HG12 VAL 99 2HG1 VAL 99 -0.084 -10.440 2.657 790 HG13 VAL 99 3HG1 VAL 99 -1.686 -11.173 2.731 791 HG21 VAL 99 3HG2 VAL 99 -2.010 -13.360 3.793 792 HG22 VAL 99 1HG2 VAL 99 -0.653 -14.200 4.541 793 HG23 VAL 99 2HG2 VAL 99 -0.779 -14.119 2.783 794 H ASN 100 H ASN 100 2.678 -11.424 1.747 795 HA ASN 100 HA ASN 100 4.010 -9.562 3.469 796 HB2 ASN 100 2HB ASN 100 5.084 -10.423 1.379 797 HB3 ASN 100 1HB ASN 100 3.911 -9.506 0.441 798 HD21 ASN 100 1HD2 ASN 100 4.072 -7.231 0.415 799 HD22 ASN 100 2HD2 ASN 100 5.509 -6.409 0.911 800 H ALA 101 H ALA 101 2.586 -8.326 4.434 801 HA ALA 101 HA ALA 101 0.774 -6.694 2.829 802 HB1 ALA 101 1HB ALA 101 1.000 -7.006 5.819 803 HB2 ALA 101 2HB ALA 101 -0.167 -7.822 4.781 804 HB3 ALA 101 3HB ALA 101 -0.228 -6.068 4.966 805 H ILE 102 H ILE 102 1.130 -4.615 2.515 806 HA ILE 102 HA ILE 102 3.119 -3.266 4.131 807 HB ILE 102 HB ILE 102 3.968 -2.103 2.011 808 HG12 ILE 102 2HG1 ILE 102 3.951 -3.625 -0.060 809 HG13 ILE 102 1HG1 ILE 102 2.613 -4.462 0.703 810 HG21 ILE 102 1HG2 ILE 102 5.631 -3.811 1.511 811 HG22 ILE 102 2HG2 ILE 102 4.679 -4.980 2.429 812 HG23 ILE 102 3HG2 ILE 102 5.372 -3.574 3.238 813 HD11 ILE 102 3HD1 ILE 102 1.849 -2.863 -0.960 814 HD12 ILE 102 1HD1 ILE 102 2.661 -1.564 -0.087 815 HD13 ILE 102 2HD1 ILE 102 1.300 -2.410 0.653 816 HA PRO 103 HA PRO 103 0.154 -0.007 3.965 817 HB2 PRO 103 2HB PRO 103 1.699 2.156 4.444 818 HB3 PRO 103 1HB PRO 103 1.305 0.972 5.701 819 HG2 PRO 103 2HG PRO 103 3.789 1.285 4.098 820 HG3 PRO 103 1HG PRO 103 3.606 0.883 5.814 821 HD2 PRO 103 2HD PRO 103 4.121 -0.970 3.864 822 HD3 PRO 103 1HD PRO 103 3.283 -1.341 5.379 823 H ILE 104 H ILE 104 -0.299 2.046 2.878 824 HA ILE 104 HA ILE 104 -0.183 1.749 0.128 825 HB ILE 104 HB ILE 104 -0.970 4.028 1.890 826 HG12 ILE 104 2HG1 ILE 104 -2.493 2.146 0.094 827 HG13 ILE 104 1HG1 ILE 104 -2.391 2.069 1.848 828 HG21 ILE 104 1HG2 ILE 104 -0.172 5.163 -0.066 829 HG22 ILE 104 2HG2 ILE 104 -1.942 5.181 -0.089 830 HG23 ILE 104 3HG2 ILE 104 -1.049 4.059 -1.115 831 HD11 ILE 104 3HD1 ILE 104 -4.507 3.010 1.086 832 HD12 ILE 104 1HD1 ILE 104 -3.603 4.257 0.228 833 HD13 ILE 104 2HD1 ILE 104 -3.564 4.197 1.995 834 H GLU 105 H GLU 105 1.801 3.878 2.134 835 HA GLU 105 HA GLU 105 2.957 5.145 -0.112 836 HB2 GLU 105 2HB GLU 105 2.874 6.248 2.058 837 HB3 GLU 105 1HB GLU 105 3.970 5.043 2.730 838 HG2 GLU 105 2HG GLU 105 5.745 5.800 1.316 839 HG3 GLU 105 1HG GLU 105 4.660 6.891 0.461 840 H GLU 106 H GLU 106 3.757 2.268 1.668 841 HA GLU 106 HA GLU 106 6.325 2.071 0.463 842 HB2 GLU 106 2HB GLU 106 4.698 0.037 1.959 843 HB3 GLU 106 1HB GLU 106 6.282 -0.317 1.283 844 HG2 GLU 106 2HG GLU 106 5.616 1.706 3.399 845 HG3 GLU 106 1HG GLU 106 6.571 0.230 3.585 846 H LEU 107 H LEU 107 3.148 1.157 -0.428 847 HA LEU 107 HA LEU 107 3.900 -0.550 -2.578 848 HB2 LEU 107 2HB LEU 107 1.596 -0.444 -1.544 849 HB3 LEU 107 1HB LEU 107 1.388 1.138 -2.246 850 HG LEU 107 HG LEU 107 0.151 -0.705 -3.395 851 HD11 LEU 107 1HD1 LEU 107 0.600 1.333 -4.607 852 HD12 LEU 107 2HD1 LEU 107 0.670 -0.067 -5.675 853 HD13 LEU 107 3HD1 LEU 107 2.162 0.698 -5.122 854 HD21 LEU 107 3HD2 LEU 107 1.784 -2.488 -3.159 855 HD22 LEU 107 1HD2 LEU 107 2.899 -1.630 -4.222 856 HD23 LEU 107 2HD2 LEU 107 1.374 -2.243 -4.855 857 H LEU 108 H LEU 108 3.162 2.879 -2.245 858 HA LEU 108 HA LEU 108 3.600 3.634 -4.923 859 HB2 LEU 108 2HB LEU 108 3.986 5.268 -2.415 860 HB3 LEU 108 1HB LEU 108 3.889 5.919 -4.037 861 HG LEU 108 HG LEU 108 1.649 4.504 -2.580 862 HD11 LEU 108 1HD1 LEU 108 2.060 7.416 -3.220 863 HD12 LEU 108 2HD1 LEU 108 2.129 6.675 -1.620 864 HD13 LEU 108 3HD1 LEU 108 0.608 6.712 -2.512 865 HD21 LEU 108 3HD2 LEU 108 1.696 5.896 -5.260 866 HD22 LEU 108 1HD2 LEU 108 0.254 5.290 -4.445 867 HD23 LEU 108 2HD2 LEU 108 1.493 4.163 -4.987 868 H ALA 109 H ALA 109 5.779 3.414 -2.165 869 HA ALA 109 HA ALA 109 8.084 4.384 -3.463 870 HB1 ALA 109 1HB ALA 109 9.317 3.454 -1.586 871 HB2 ALA 109 2HB ALA 109 7.911 2.502 -1.111 872 HB3 ALA 109 3HB ALA 109 7.856 4.263 -1.014 873 H SER 110 H SER 110 6.501 1.310 -3.568 874 HA SER 110 HA SER 110 8.819 -0.050 -4.630 875 HB2 SER 110 2HB SER 110 5.936 -0.963 -4.443 876 HB3 SER 110 1HB SER 110 7.320 -1.974 -4.862 877 HG SER 110 HG SER 110 6.676 -0.760 -2.410 878 H SER 111 H SER 111 6.503 2.060 -5.791 879 HA SER 111 HA SER 111 6.492 0.899 -8.412 880 HB2 SER 111 2HB SER 111 4.418 1.937 -7.438 881 HB3 SER 111 1HB SER 111 5.224 3.509 -7.548 882 HG SER 111 HG SER 111 4.581 1.701 -9.601 883 H LEU 112 H LEU 112 8.491 1.068 -9.062 884 HA LEU 112 HA LEU 112 9.548 3.752 -9.463 885 HB2 LEU 112 2HB LEU 112 11.838 2.698 -9.337 886 HB3 LEU 112 1HB LEU 112 10.972 2.852 -7.829 887 HG LEU 112 HG LEU 112 10.399 0.389 -8.030 888 HD11 LEU 112 1HD1 LEU 112 11.792 -1.015 -9.452 889 HD12 LEU 112 2HD1 LEU 112 12.491 0.425 -10.196 890 HD13 LEU 112 3HD1 LEU 112 10.778 0.068 -10.407 891 HD21 LEU 112 3HD2 LEU 112 12.601 -0.348 -7.257 892 HD22 LEU 112 1HD2 LEU 112 12.124 1.190 -6.537 893 HD23 LEU 112 2HD2 LEU 112 13.305 1.156 -7.846 894 H GLU 113 H GLU 113 8.032 1.492 -10.979 895 HA GLU 113 HA GLU 113 9.591 0.731 -13.158 896 HB2 GLU 113 2HB GLU 113 7.419 -0.303 -12.609 897 HB3 GLU 113 1HB GLU 113 6.597 1.189 -13.031 898 HG2 GLU 113 2HG GLU 113 7.270 0.933 -15.344 899 HG3 GLU 113 1HG GLU 113 8.200 -0.501 -14.934 900 H HIS 114 H HIS 114 7.845 3.680 -12.518 901 HA HIS 114 HA HIS 114 8.575 4.698 -15.168 902 HB2 HIS 114 2HB HIS 114 6.629 5.776 -13.122 903 HB3 HIS 114 1HB HIS 114 7.072 6.634 -14.589 904 HD1 HIS 114 1HD HIS 114 5.754 6.083 -16.656 905 HD2 HIS 114 2HD HIS 114 5.243 3.262 -13.659 906 HE1 HIS 114 1HE HIS 114 3.960 4.566 -17.472 907 HE2 HIS 114 2HE HIS 114 3.937 2.701 -15.790 908 H HIS 115 H HIS 115 10.442 4.365 -12.820 909 HA HIS 115 HA HIS 115 11.024 6.984 -11.896 910 HB2 HIS 115 2HB HIS 115 13.180 6.180 -11.002 911 HB3 HIS 115 1HB HIS 115 11.873 5.105 -10.568 912 HD1 HIS 115 1HD HIS 115 13.747 3.328 -10.060 913 HD2 HIS 115 2HD HIS 115 13.456 4.409 -14.067 914 HE1 HIS 115 1HE HIS 115 15.035 1.585 -11.335 915 HE2 HIS 115 2HE HIS 115 14.820 2.248 -13.758 916 H HIS 116 H HIS 116 11.443 5.758 -14.887 917 HA HIS 116 HA HIS 116 13.407 7.835 -15.502 918 HB2 HIS 116 2HB HIS 116 14.013 5.377 -16.060 919 HB3 HIS 116 1HB HIS 116 12.742 5.478 -17.268 920 HD1 HIS 116 1HD HIS 116 16.179 6.644 -16.507 921 HD2 HIS 116 2HD HIS 116 13.372 7.036 -19.535 922 HE1 HIS 116 1HE HIS 116 17.421 7.626 -18.451 923 HE2 HIS 116 2HE HIS 116 15.782 7.506 -20.328 924 H HIS 117 H HIS 117 11.556 9.207 -15.342 925 HA HIS 117 HA HIS 117 9.346 8.833 -17.160 926 HB2 HIS 117 2HB HIS 117 9.103 9.761 -14.839 927 HB3 HIS 117 1HB HIS 117 9.979 11.188 -15.356 928 HD1 HIS 117 1HD HIS 117 6.717 10.035 -14.723 929 HD2 HIS 117 2HD HIS 117 8.372 12.517 -17.602 930 HE1 HIS 117 1HE HIS 117 4.818 11.440 -15.563 931 HE2 HIS 117 2HE HIS 117 5.915 13.104 -17.099 932 H HIS 118 H HIS 118 10.603 8.841 -19.078 933 HA HIS 118 HA HIS 118 10.798 11.412 -20.339 934 HB2 HIS 118 2HB HIS 118 13.028 11.154 -19.146 935 HB3 HIS 118 1HB HIS 118 13.304 9.705 -20.093 936 HD1 HIS 118 1HD HIS 118 14.051 10.040 -22.567 937 HD2 HIS 118 2HD HIS 118 13.295 13.582 -20.529 938 HE1 HIS 118 1HE HIS 118 14.975 11.856 -24.012 939 HE2 HIS 118 2HE HIS 118 14.274 13.978 -22.884 940 H HIS 119 H HIS 119 10.864 11.091 -22.623 941 HA HIS 119 HA HIS 119 10.804 8.310 -23.486 942 HB2 HIS 119 2HB HIS 119 8.487 9.167 -23.386 943 HB3 HIS 119 1HB HIS 119 8.948 10.535 -24.387 944 HD1 HIS 119 1HD HIS 119 8.580 10.253 -26.796 945 HD2 HIS 119 2HD HIS 119 8.766 6.600 -24.848 946 HE1 HIS 119 1HE HIS 119 8.047 8.529 -28.553 947 HE2 HIS 119 2HE HIS 119 7.974 6.348 -27.290 Start of MODEL 15 1 H1 MET 1 1HT MET 1 1.768 -10.952 -10.991 2 H2 MET 1 2HT MET 1 0.815 -9.562 -10.748 3 H3 MET 1 3HT MET 1 0.085 -11.019 -11.092 4 HA MET 1 HA MET 1 0.721 -11.971 -9.043 5 HB2 MET 1 2HB MET 1 2.867 -10.688 -8.786 6 HB3 MET 1 1HB MET 1 1.930 -9.238 -8.456 7 HG2 MET 1 2HG MET 1 1.013 -10.282 -6.449 8 HG3 MET 1 1HG MET 1 1.915 -11.746 -6.791 9 HE1 MET 1 2HE MET 1 3.752 -10.499 -3.645 10 HE2 MET 1 3HE MET 1 3.043 -11.885 -4.470 11 HE3 MET 1 1HE MET 1 2.027 -10.528 -3.995 12 H PHE 2 H PHE 2 -0.817 -11.763 -7.335 13 HA PHE 2 HA PHE 2 -2.916 -9.873 -7.967 14 HB2 PHE 2 2HB PHE 2 -2.783 -12.043 -5.853 15 HB3 PHE 2 1HB PHE 2 -4.205 -11.090 -6.243 16 HD1 PHE 2 2HD PHE 2 -5.363 -11.449 -8.427 17 HD2 PHE 2 1HD PHE 2 -2.143 -13.926 -7.129 18 HE1 PHE 2 2HE PHE 2 -6.007 -13.150 -10.066 19 HE2 PHE 2 1HE PHE 2 -2.792 -15.629 -8.770 20 HZ PHE 2 HZ PHE 2 -4.720 -15.249 -10.239 21 H ALA 3 H ALA 3 -3.682 -8.363 -6.484 22 HA ALA 3 HA ALA 3 -2.080 -7.887 -4.094 23 HB1 ALA 3 1HB ALA 3 -2.832 -5.780 -6.132 24 HB2 ALA 3 2HB ALA 3 -1.202 -6.382 -5.823 25 HB3 ALA 3 3HB ALA 3 -2.055 -5.470 -4.580 26 H VAL 4 H VAL 4 -3.458 -7.924 -2.484 27 HA VAL 4 HA VAL 4 -6.264 -7.366 -3.086 28 HB VAL 4 HB VAL 4 -5.104 -8.775 -0.663 29 HG11 VAL 4 1HG1 VAL 4 -7.425 -9.481 -0.229 30 HG12 VAL 4 2HG1 VAL 4 -7.972 -8.553 -1.622 31 HG13 VAL 4 3HG1 VAL 4 -7.289 -7.723 -0.224 32 HG21 VAL 4 3HG2 VAL 4 -4.738 -10.072 -2.694 33 HG22 VAL 4 1HG2 VAL 4 -6.451 -9.959 -3.093 34 HG23 VAL 4 2HG2 VAL 4 -5.939 -10.849 -1.662 35 H ILE 5 H ILE 5 -7.257 -5.729 -2.188 36 HA ILE 5 HA ILE 5 -5.626 -3.874 -0.629 37 HB ILE 5 HB ILE 5 -8.270 -3.403 -2.035 38 HG12 ILE 5 2HG1 ILE 5 -5.478 -2.681 -2.971 39 HG13 ILE 5 1HG1 ILE 5 -6.402 -4.045 -3.584 40 HG21 ILE 5 1HG2 ILE 5 -7.798 -1.828 -0.220 41 HG22 ILE 5 2HG2 ILE 5 -7.693 -1.036 -1.791 42 HG23 ILE 5 3HG2 ILE 5 -6.220 -1.478 -0.929 43 HD11 ILE 5 3HD1 ILE 5 -7.174 -1.143 -3.810 44 HD12 ILE 5 1HD1 ILE 5 -8.100 -2.516 -4.420 45 HD13 ILE 5 2HD1 ILE 5 -6.512 -2.156 -5.099 46 H SER 6 H SER 6 -6.096 -3.482 1.481 47 HA SER 6 HA SER 6 -8.483 -4.673 2.632 48 HB2 SER 6 2HB SER 6 -6.183 -3.198 3.949 49 HB3 SER 6 1HB SER 6 -7.427 -4.144 4.770 50 HG SER 6 HG SER 6 -6.112 -5.447 2.758 51 HA PRO 7 HA PRO 7 -10.853 -0.888 2.613 52 HB2 PRO 7 2HB PRO 7 -11.492 -1.579 5.455 53 HB3 PRO 7 1HB PRO 7 -12.584 -1.123 4.135 54 HG2 PRO 7 2HG PRO 7 -12.426 -3.665 4.764 55 HG3 PRO 7 1HG PRO 7 -12.336 -3.191 3.056 56 HD2 PRO 7 2HD PRO 7 -10.093 -3.927 4.910 57 HD3 PRO 7 1HD PRO 7 -10.405 -4.483 3.248 58 H SER 8 H SER 8 -8.539 -1.343 5.214 59 HA SER 8 HA SER 8 -8.487 1.339 6.097 60 HB2 SER 8 2HB SER 8 -6.107 0.683 6.824 61 HB3 SER 8 1HB SER 8 -7.456 -0.203 7.533 62 HG SER 8 HG SER 8 -6.849 -1.927 6.596 63 H ALA 9 H ALA 9 -7.277 -0.101 3.206 64 HA ALA 9 HA ALA 9 -5.492 2.134 2.646 65 HB1 ALA 9 1HB ALA 9 -4.855 0.843 0.665 66 HB2 ALA 9 2HB ALA 9 -6.102 -0.345 1.039 67 HB3 ALA 9 3HB ALA 9 -4.733 -0.131 2.129 68 H PHE 10 H PHE 10 -8.648 1.909 2.588 69 HA PHE 10 HA PHE 10 -9.357 2.535 -0.073 70 HB2 PHE 10 2HB PHE 10 -10.810 2.779 2.523 71 HB3 PHE 10 1HB PHE 10 -11.466 3.452 1.037 72 HD1 PHE 10 2HD PHE 10 -9.590 0.559 0.261 73 HD2 PHE 10 1HD PHE 10 -13.325 1.805 1.869 74 HE1 PHE 10 2HE PHE 10 -10.557 -1.610 -0.307 75 HE2 PHE 10 1HE PHE 10 -14.295 -0.375 1.301 76 HZ PHE 10 HZ PHE 10 -12.927 -2.077 0.218 77 H GLY 11 H GLY 11 -10.319 4.412 -0.850 78 HA2 GLY 11 2HA GLY 11 -10.500 6.662 -1.275 79 HA3 GLY 11 1HA GLY 11 -9.755 6.996 0.287 80 H LYS 12 H LYS 12 -7.454 5.451 -0.156 81 HA LYS 12 HA LYS 12 -5.971 7.253 -1.876 82 HB2 LYS 12 2HB LYS 12 -5.103 5.193 0.142 83 HB3 LYS 12 1HB LYS 12 -3.987 6.196 -0.787 84 HG2 LYS 12 2HG LYS 12 -4.909 8.198 0.201 85 HG3 LYS 12 1HG LYS 12 -6.124 7.251 1.055 86 HD2 LYS 12 2HD LYS 12 -4.359 7.839 2.599 87 HD3 LYS 12 1HD LYS 12 -4.347 6.105 2.243 88 HE2 LYS 12 2HE LYS 12 -2.470 6.375 0.745 89 HE3 LYS 12 1HE LYS 12 -2.513 8.128 0.950 90 HZ1 LYS 12 3HZ LYS 12 -2.065 6.258 3.214 91 HZ2 LYS 12 1HZ LYS 12 -1.824 7.914 3.191 92 HZ3 LYS 12 2HZ LYS 12 -0.781 6.901 2.336 93 H LEU 13 H LEU 13 -7.702 4.830 -2.431 94 HA LEU 13 HA LEU 13 -6.355 2.762 -3.751 95 HB2 LEU 13 2HB LEU 13 -9.018 3.988 -4.466 96 HB3 LEU 13 1HB LEU 13 -8.459 2.398 -4.939 97 HG LEU 13 HG LEU 13 -9.041 3.263 -2.110 98 HD11 LEU 13 1HD1 LEU 13 -10.603 1.485 -3.980 99 HD12 LEU 13 2HD1 LEU 13 -11.068 3.102 -3.453 100 HD13 LEU 13 3HD1 LEU 13 -10.975 1.784 -2.284 101 HD21 LEU 13 3HD2 LEU 13 -7.321 1.561 -2.199 102 HD22 LEU 13 1HD2 LEU 13 -8.324 0.588 -3.280 103 HD23 LEU 13 2HD2 LEU 13 -8.832 0.868 -1.616 104 H LYS 14 H LYS 14 -7.402 5.911 -4.780 105 HA LYS 14 HA LYS 14 -7.074 5.752 -7.565 106 HB2 LYS 14 2HB LYS 14 -6.595 8.170 -5.819 107 HB3 LYS 14 1HB LYS 14 -6.975 8.177 -7.528 108 HG2 LYS 14 2HG LYS 14 -9.201 7.233 -7.001 109 HG3 LYS 14 1HG LYS 14 -8.806 7.336 -5.283 110 HD2 LYS 14 2HD LYS 14 -8.490 9.753 -5.500 111 HD3 LYS 14 1HD LYS 14 -8.879 9.663 -7.213 112 HE2 LYS 14 2HE LYS 14 -10.850 10.394 -6.150 113 HE3 LYS 14 1HE LYS 14 -11.120 8.693 -6.491 114 HZ1 LYS 14 3HZ LYS 14 -10.303 8.364 -4.043 115 HZ2 LYS 14 1HZ LYS 14 -11.856 9.025 -4.300 116 HZ3 LYS 14 2HZ LYS 14 -10.578 10.013 -3.936 117 H GLU 15 H GLU 15 -4.874 6.425 -4.969 118 HA GLU 15 HA GLU 15 -2.734 7.361 -6.569 119 HB2 GLU 15 2HB GLU 15 -2.904 6.548 -3.662 120 HB3 GLU 15 1HB GLU 15 -1.552 7.412 -4.399 121 HG2 GLU 15 2HG GLU 15 -2.876 9.325 -4.834 122 HG3 GLU 15 1HG GLU 15 -4.364 8.461 -4.493 123 H ILE 16 H ILE 16 -3.138 4.434 -4.541 124 HA ILE 16 HA ILE 16 -0.768 3.201 -5.409 125 HB ILE 16 HB ILE 16 -1.740 1.034 -4.599 126 HG12 ILE 16 2HG1 ILE 16 -4.111 2.763 -3.840 127 HG13 ILE 16 1HG1 ILE 16 -4.128 1.523 -5.085 128 HG21 ILE 16 1HG2 ILE 16 -1.913 3.380 -2.767 129 HG22 ILE 16 2HG2 ILE 16 -0.450 2.473 -3.172 130 HG23 ILE 16 3HG2 ILE 16 -1.750 1.701 -2.252 131 HD11 ILE 16 3HD1 ILE 16 -5.174 0.720 -3.049 132 HD12 ILE 16 1HD1 ILE 16 -3.716 1.093 -2.130 133 HD13 ILE 16 2HD1 ILE 16 -3.683 -0.170 -3.358 134 H LEU 17 H LEU 17 -4.016 2.890 -6.679 135 HA LEU 17 HA LEU 17 -3.457 0.733 -8.405 136 HB2 LEU 17 2HB LEU 17 -5.654 1.236 -7.541 137 HB3 LEU 17 1HB LEU 17 -5.649 2.783 -8.339 138 HG LEU 17 HG LEU 17 -5.850 1.689 -10.509 139 HD11 LEU 17 1HD1 LEU 17 -5.887 -0.869 -8.922 140 HD12 LEU 17 2HD1 LEU 17 -4.612 -0.365 -10.035 141 HD13 LEU 17 3HD1 LEU 17 -6.231 -0.715 -10.642 142 HD21 LEU 17 3HD2 LEU 17 -7.872 2.262 -9.359 143 HD22 LEU 17 1HD2 LEU 17 -7.787 0.780 -8.408 144 HD23 LEU 17 2HD2 LEU 17 -8.078 0.680 -10.130 145 H GLY 18 H GLY 18 -3.547 4.242 -8.890 146 HA2 GLY 18 2HA GLY 18 -3.126 3.915 -11.736 147 HA3 GLY 18 1HA GLY 18 -3.364 5.428 -10.883 148 H SER 19 H SER 19 -1.170 4.861 -8.982 149 HA SER 19 HA SER 19 0.861 5.933 -10.703 150 HB2 SER 19 2HB SER 19 0.923 5.406 -7.728 151 HB3 SER 19 1HB SER 19 2.113 6.344 -8.633 152 HG SER 19 HG SER 19 -0.579 7.060 -8.878 153 H ASN 20 H ASN 20 0.288 2.912 -8.988 154 HA ASN 20 HA ASN 20 2.972 1.990 -9.589 155 HB2 ASN 20 2HB ASN 20 1.866 1.323 -7.492 156 HB3 ASN 20 1HB ASN 20 0.632 0.482 -8.420 157 HD21 ASN 20 1HD2 ASN 20 3.868 0.472 -7.343 158 HD22 ASN 20 2HD2 ASN 20 4.257 -1.169 -7.768 159 H LYS 21 H LYS 21 -0.332 0.855 -10.301 160 HA LYS 21 HA LYS 21 -1.235 -0.347 -11.911 161 HB2 LYS 21 2HB LYS 21 -0.609 1.753 -13.144 162 HB3 LYS 21 1HB LYS 21 0.851 0.959 -13.682 163 HG2 LYS 21 2HG LYS 21 -1.885 -0.090 -14.360 164 HG3 LYS 21 1HG LYS 21 -1.108 1.164 -15.317 165 HD2 LYS 21 2HD LYS 21 0.046 -1.582 -14.787 166 HD3 LYS 21 1HD LYS 21 -0.836 -1.143 -16.247 167 HE2 LYS 21 2HE LYS 21 1.740 0.155 -15.312 168 HE3 LYS 21 1HE LYS 21 1.623 -1.091 -16.539 169 HZ1 LYS 21 3HZ LYS 21 0.358 1.604 -16.746 170 HZ2 LYS 21 1HZ LYS 21 0.312 0.382 -17.904 171 HZ3 LYS 21 2HZ LYS 21 1.762 1.128 -17.515 172 H ASN 22 H ASN 22 -1.227 -2.311 -12.827 173 HA ASN 22 HA ASN 22 -0.703 -4.296 -13.520 174 HB2 ASN 22 2HB ASN 22 1.156 -3.368 -14.897 175 HB3 ASN 22 1HB ASN 22 2.264 -3.701 -13.566 176 HD21 ASN 22 1HD2 ASN 22 0.293 -5.077 -16.067 177 HD22 ASN 22 2HD2 ASN 22 0.926 -6.677 -16.006 178 H TYR 23 H TYR 23 -1.492 -4.348 -11.377 179 HA TYR 23 HA TYR 23 -0.386 -6.824 -10.400 180 HB2 TYR 23 2HB TYR 23 -1.269 -4.461 -8.729 181 HB3 TYR 23 1HB TYR 23 -1.521 -6.095 -8.160 182 HD1 TYR 23 1HD TYR 23 0.379 -7.468 -7.493 183 HD2 TYR 23 2HD TYR 23 0.843 -3.476 -8.750 184 HE1 TYR 23 1HE TYR 23 2.597 -7.450 -6.434 185 HE2 TYR 23 2HE TYR 23 3.127 -3.402 -7.663 186 HH TYR 23 HH TYR 23 4.392 -4.583 -5.962 187 H LYS 24 H LYS 24 -2.167 -8.178 -9.894 188 HA LYS 24 HA LYS 24 -4.584 -7.160 -11.036 189 HB2 LYS 24 2HB LYS 24 -3.840 -9.484 -11.572 190 HB3 LYS 24 1HB LYS 24 -4.048 -9.916 -9.890 191 HG2 LYS 24 2HG LYS 24 -5.910 -10.764 -11.151 192 HG3 LYS 24 1HG LYS 24 -6.482 -9.472 -10.105 193 HD2 LYS 24 2HD LYS 24 -5.730 -8.841 -12.949 194 HD3 LYS 24 1HD LYS 24 -7.265 -9.632 -12.625 195 HE2 LYS 24 2HE LYS 24 -7.957 -7.785 -11.228 196 HE3 LYS 24 1HE LYS 24 -6.406 -6.986 -11.388 197 HZ1 LYS 24 3HZ LYS 24 -8.364 -7.475 -13.578 198 HZ2 LYS 24 1HZ LYS 24 -6.867 -6.727 -13.785 199 HZ3 LYS 24 2HZ LYS 24 -8.052 -6.020 -12.826 200 H PHE 25 H PHE 25 -5.303 -5.708 -9.631 201 HA PHE 25 HA PHE 25 -5.214 -6.079 -6.820 202 HB2 PHE 25 2HB PHE 25 -6.564 -3.996 -8.527 203 HB3 PHE 25 1HB PHE 25 -6.569 -3.955 -6.769 204 HD1 PHE 25 1HD PHE 25 -4.529 -3.556 -9.796 205 HD2 PHE 25 2HD PHE 25 -4.586 -3.297 -5.551 206 HE1 PHE 25 1HE PHE 25 -2.421 -2.292 -9.850 207 HE2 PHE 25 2HE PHE 25 -2.474 -2.035 -5.601 208 HZ PHE 25 HZ PHE 25 -1.391 -1.525 -7.751 209 H VAL 26 H VAL 26 -6.591 -6.940 -5.579 210 HA VAL 26 HA VAL 26 -9.242 -7.679 -6.584 211 HB VAL 26 HB VAL 26 -7.507 -9.202 -4.624 212 HG11 VAL 26 1HG1 VAL 26 -9.873 -9.503 -4.178 213 HG12 VAL 26 2HG1 VAL 26 -9.171 -10.987 -4.821 214 HG13 VAL 26 3HG1 VAL 26 -10.150 -9.953 -5.861 215 HG21 VAL 26 3HG2 VAL 26 -8.151 -9.869 -7.498 216 HG22 VAL 26 1HG2 VAL 26 -7.294 -10.923 -6.374 217 HG23 VAL 26 2HG2 VAL 26 -6.581 -9.385 -6.868 218 H ILE 27 H ILE 27 -10.865 -7.052 -5.351 219 HA ILE 27 HA ILE 27 -10.269 -6.124 -2.655 220 HB ILE 27 HB ILE 27 -10.946 -4.257 -4.179 221 HG12 ILE 27 2HG1 ILE 27 -12.715 -3.280 -2.780 222 HG13 ILE 27 1HG1 ILE 27 -13.040 -4.865 -2.081 223 HG21 ILE 27 1HG2 ILE 27 -13.547 -5.730 -4.427 224 HG22 ILE 27 2HG2 ILE 27 -12.359 -5.489 -5.709 225 HG23 ILE 27 3HG2 ILE 27 -13.225 -4.106 -5.032 226 HD11 ILE 27 3HD1 ILE 27 -11.715 -3.484 -0.590 227 HD12 ILE 27 1HD1 ILE 27 -10.477 -3.308 -1.831 228 HD13 ILE 27 2HD1 ILE 27 -10.799 -4.889 -1.113 229 H THR 28 H THR 28 -12.104 -6.494 -1.125 230 HA THR 28 HA THR 28 -13.106 -9.152 -1.574 231 HB THR 28 HB THR 28 -13.554 -8.930 0.902 232 HG1 THR 28 1HG THR 28 -12.135 -7.162 1.758 233 HG21 THR 28 3HG2 THR 28 -10.733 -8.506 -0.088 234 HG22 THR 28 1HG2 THR 28 -11.581 -10.055 -0.037 235 HG23 THR 28 2HG2 THR 28 -11.202 -9.210 1.465 236 H THR 29 H THR 29 -15.251 -9.668 -0.712 237 HA THR 29 HA THR 29 -17.312 -8.128 -1.751 238 HB THR 29 HB THR 29 -18.624 -9.735 -0.072 239 HG1 THR 29 1HG THR 29 -16.357 -10.380 0.784 240 HG21 THR 29 3HG2 THR 29 -17.187 -10.622 -2.577 241 HG22 THR 29 1HG2 THR 29 -18.737 -9.780 -2.517 242 HG23 THR 29 2HG2 THR 29 -18.595 -11.413 -1.866 243 H LEU 30 H LEU 30 -16.066 -8.427 1.559 244 HA LEU 30 HA LEU 30 -18.045 -6.656 2.590 245 HB2 LEU 30 2HB LEU 30 -15.369 -7.488 3.712 246 HB3 LEU 30 1HB LEU 30 -16.535 -6.502 4.573 247 HG LEU 30 HG LEU 30 -16.971 -9.354 3.680 248 HD11 LEU 30 1HD1 LEU 30 -16.876 -9.875 6.063 249 HD12 LEU 30 2HD1 LEU 30 -16.471 -8.198 6.415 250 HD13 LEU 30 3HD1 LEU 30 -15.357 -9.198 5.480 251 HD21 LEU 30 3HD2 LEU 30 -19.001 -9.230 5.062 252 HD22 LEU 30 1HD2 LEU 30 -19.060 -8.093 3.717 253 HD23 LEU 30 2HD2 LEU 30 -18.697 -7.520 5.345 254 H GLY 31 H GLY 31 -14.889 -6.328 1.188 255 HA2 GLY 31 2HA GLY 31 -14.289 -3.688 1.850 256 HA3 GLY 31 1HA GLY 31 -13.739 -4.533 0.408 257 H VAL 32 H VAL 32 -15.894 -4.922 -1.086 258 HA VAL 32 HA VAL 32 -16.411 -2.348 -2.093 259 HB VAL 32 HB VAL 32 -18.066 -3.371 -3.656 260 HG11 VAL 32 1HG1 VAL 32 -16.497 -4.813 -4.846 261 HG12 VAL 32 2HG1 VAL 32 -15.466 -4.848 -3.412 262 HG13 VAL 32 3HG1 VAL 32 -15.740 -3.331 -4.267 263 HG21 VAL 32 3HG2 VAL 32 -17.446 -5.939 -2.196 264 HG22 VAL 32 1HG2 VAL 32 -18.366 -5.810 -3.695 265 HG23 VAL 32 2HG2 VAL 32 -18.999 -5.104 -2.206 266 H SER 33 H SER 33 -18.361 -4.408 -0.044 267 HA SER 33 HA SER 33 -20.710 -2.856 -0.125 268 HB2 SER 33 2HB SER 33 -19.715 -4.645 2.110 269 HB3 SER 33 1HB SER 33 -21.384 -4.149 1.839 270 HG SER 33 HG SER 33 -19.798 -5.978 0.409 271 H PHE 34 H PHE 34 -17.877 -2.842 1.972 272 HA PHE 34 HA PHE 34 -18.669 -0.891 3.819 273 HB2 PHE 34 2HB PHE 34 -16.767 -2.468 4.116 274 HB3 PHE 34 1HB PHE 34 -15.903 -1.642 2.833 275 HD1 PHE 34 1HD PHE 34 -17.179 -1.351 6.269 276 HD2 PHE 34 2HD PHE 34 -14.684 0.351 3.279 277 HE1 PHE 34 1HE PHE 34 -16.162 0.118 7.956 278 HE2 PHE 34 2HE PHE 34 -13.668 1.816 4.950 279 HZ PHE 34 HZ PHE 34 -14.407 1.708 7.299 280 H ALA 35 H ALA 35 -16.783 -0.692 0.834 281 HA ALA 35 HA ALA 35 -16.238 2.023 0.852 282 HB1 ALA 35 1HB ALA 35 -15.179 0.419 -0.675 283 HB2 ALA 35 2HB ALA 35 -15.822 1.825 -1.525 284 HB3 ALA 35 3HB ALA 35 -16.691 0.292 -1.572 285 H ILE 36 H ILE 36 -19.073 0.328 -0.374 286 HA ILE 36 HA ILE 36 -20.356 2.488 -1.619 287 HB ILE 36 HB ILE 36 -21.599 0.092 -0.234 288 HG12 ILE 36 2HG1 ILE 36 -20.176 -0.550 -2.115 289 HG13 ILE 36 1HG1 ILE 36 -21.868 -0.827 -2.502 290 HG21 ILE 36 1HG2 ILE 36 -23.636 0.545 -1.532 291 HG22 ILE 36 2HG2 ILE 36 -22.918 2.047 -2.114 292 HG23 ILE 36 3HG2 ILE 36 -23.265 1.843 -0.396 293 HD11 ILE 36 3HD1 ILE 36 -20.180 1.479 -3.460 294 HD12 ILE 36 1HD1 ILE 36 -21.889 1.232 -3.828 295 HD13 ILE 36 2HD1 ILE 36 -20.686 0.080 -4.401 296 H LYS 37 H LYS 37 -20.853 1.250 1.701 297 HA LYS 37 HA LYS 37 -22.657 3.354 2.257 298 HB2 LYS 37 2HB LYS 37 -22.793 2.464 4.546 299 HB3 LYS 37 1HB LYS 37 -22.991 1.221 3.333 300 HG2 LYS 37 2HG LYS 37 -21.680 0.179 4.949 301 HG3 LYS 37 1HG LYS 37 -20.490 0.707 3.768 302 HD2 LYS 37 2HD LYS 37 -19.965 2.658 5.130 303 HD3 LYS 37 1HD LYS 37 -21.206 2.205 6.294 304 HE2 LYS 37 2HE LYS 37 -18.742 0.595 5.623 305 HE3 LYS 37 1HE LYS 37 -18.950 1.594 7.055 306 HZ1 LYS 37 3HZ LYS 37 -20.521 -0.834 6.368 307 HZ2 LYS 37 1HZ LYS 37 -20.813 0.140 7.716 308 HZ3 LYS 37 2HZ LYS 37 -19.373 -0.696 7.576 309 H SER 38 H SER 38 -19.250 3.046 2.641 310 HA SER 38 HA SER 38 -19.072 5.309 4.371 311 HB2 SER 38 2HB SER 38 -16.957 3.851 2.794 312 HB3 SER 38 1HB SER 38 -16.643 5.094 4.008 313 HG SER 38 HG SER 38 -17.996 3.630 5.381 314 H GLY 39 H GLY 39 -19.410 4.875 0.978 315 HA2 GLY 39 2HA GLY 39 -19.683 6.510 -0.643 316 HA3 GLY 39 1HA GLY 39 -19.275 7.730 0.558 317 H ILE 40 H ILE 40 -17.428 4.912 -0.302 318 HA ILE 40 HA ILE 40 -15.154 6.626 -0.945 319 HB ILE 40 HB ILE 40 -15.354 3.729 -0.076 320 HG12 ILE 40 2HG1 ILE 40 -14.154 6.152 1.290 321 HG13 ILE 40 1HG1 ILE 40 -15.713 5.444 1.665 322 HG21 ILE 40 1HG2 ILE 40 -13.523 4.045 -1.723 323 HG22 ILE 40 2HG2 ILE 40 -12.977 3.567 -0.131 324 HG23 ILE 40 3HG2 ILE 40 -12.796 5.250 -0.647 325 HD11 ILE 40 3HD1 ILE 40 -14.034 4.823 3.285 326 HD12 ILE 40 1HD1 ILE 40 -13.034 4.119 2.015 327 HD13 ILE 40 2HD1 ILE 40 -14.604 3.405 2.407 328 H ASP 41 H ASP 41 -14.154 6.435 -2.886 329 HA ASP 41 HA ASP 41 -15.614 5.699 -5.153 330 HB2 ASP 41 2HB ASP 41 -12.627 6.090 -4.910 331 HB3 ASP 41 1HB ASP 41 -13.539 6.075 -6.410 332 H ILE 42 H ILE 42 -16.235 3.613 -5.209 333 HA ILE 42 HA ILE 42 -14.078 1.645 -5.299 334 HB ILE 42 HB ILE 42 -15.754 1.164 -3.565 335 HG12 ILE 42 2HG1 ILE 42 -16.336 -1.176 -4.212 336 HG13 ILE 42 1HG1 ILE 42 -15.808 -0.812 -5.850 337 HG21 ILE 42 1HG2 ILE 42 -17.757 1.008 -5.798 338 HG22 ILE 42 2HG2 ILE 42 -17.718 2.179 -4.477 339 HG23 ILE 42 3HG2 ILE 42 -18.042 0.480 -4.142 340 HD11 ILE 42 3HD1 ILE 42 -13.546 -0.384 -5.022 341 HD12 ILE 42 1HD1 ILE 42 -14.087 -2.005 -4.601 342 HD13 ILE 42 2HD1 ILE 42 -14.083 -0.734 -3.381 343 H ASP 43 H ASP 43 -16.734 3.028 -7.047 344 HA ASP 43 HA ASP 43 -16.938 1.197 -9.162 345 HB2 ASP 43 2HB ASP 43 -17.463 4.165 -9.107 346 HB3 ASP 43 1HB ASP 43 -17.705 3.197 -10.550 347 H SER 44 H SER 44 -15.015 4.120 -8.871 348 HA SER 44 HA SER 44 -13.777 3.901 -11.359 349 HB2 SER 44 2HB SER 44 -13.819 5.969 -9.982 350 HB3 SER 44 1HB SER 44 -12.661 5.238 -8.874 351 HG SER 44 HG SER 44 -12.306 5.772 -11.620 352 H ALA 45 H ALA 45 -12.997 2.454 -8.258 353 HA ALA 45 HA ALA 45 -10.389 1.580 -8.938 354 HB1 ALA 45 1HB ALA 45 -11.161 1.699 -6.603 355 HB2 ALA 45 2HB ALA 45 -10.614 0.068 -7.004 356 HB3 ALA 45 3HB ALA 45 -12.335 0.423 -6.930 357 H LEU 46 H LEU 46 -13.534 -0.032 -8.915 358 HA LEU 46 HA LEU 46 -12.761 -2.489 -10.039 359 HB2 LEU 46 2HB LEU 46 -15.394 -1.030 -10.264 360 HB3 LEU 46 1HB LEU 46 -15.148 -2.723 -10.621 361 HG LEU 46 HG LEU 46 -14.845 -1.447 -7.890 362 HD11 LEU 46 1HD1 LEU 46 -17.043 -3.186 -8.982 363 HD12 LEU 46 2HD1 LEU 46 -17.160 -1.464 -8.623 364 HD13 LEU 46 3HD1 LEU 46 -16.899 -2.622 -7.319 365 HD21 LEU 46 3HD2 LEU 46 -13.411 -3.407 -8.158 366 HD22 LEU 46 1HD2 LEU 46 -14.790 -4.349 -8.719 367 HD23 LEU 46 2HD2 LEU 46 -14.743 -3.751 -7.058 368 H ASP 47 H ASP 47 -13.819 0.514 -11.460 369 HA ASP 47 HA ASP 47 -13.951 -0.315 -14.142 370 HB2 ASP 47 2HB ASP 47 -15.047 1.715 -13.391 371 HB3 ASP 47 1HB ASP 47 -13.490 2.434 -13.005 372 H ARG 48 H ARG 48 -11.273 1.051 -12.285 373 HA ARG 48 HA ARG 48 -9.599 1.161 -14.612 374 HB2 ARG 48 2HB ARG 48 -8.830 1.424 -11.721 375 HB3 ARG 48 1HB ARG 48 -7.779 1.786 -13.085 376 HG2 ARG 48 2HG ARG 48 -9.305 3.576 -13.754 377 HG3 ARG 48 1HG ARG 48 -10.339 3.201 -12.374 378 HD2 ARG 48 2HD ARG 48 -8.171 3.507 -11.008 379 HD3 ARG 48 1HD ARG 48 -7.607 4.391 -12.426 380 HE ARG 48 HE ARG 48 -10.195 5.163 -11.422 381 HH11 ARG 48 1HH1 ARG 48 -6.734 5.986 -11.507 382 HH12 ARG 48 2HH1 ARG 48 -6.951 7.483 -10.736 383 HH21 ARG 48 1HH2 ARG 48 -10.472 7.164 -10.393 384 HH22 ARG 48 2HH2 ARG 48 -9.152 8.190 -10.077 385 H GLY 49 H GLY 49 -10.581 -1.363 -12.642 386 HA2 GLY 49 2HA GLY 49 -9.871 -3.471 -13.770 387 HA3 GLY 49 1HA GLY 49 -8.235 -2.890 -13.567 388 H VAL 50 H VAL 50 -10.141 -2.240 -10.795 389 HA VAL 50 HA VAL 50 -8.865 -4.440 -9.412 390 HB VAL 50 HB VAL 50 -10.854 -2.363 -8.386 391 HG11 VAL 50 1HG1 VAL 50 -9.156 -4.316 -6.829 392 HG12 VAL 50 2HG1 VAL 50 -10.909 -4.386 -7.019 393 HG13 VAL 50 3HG1 VAL 50 -10.170 -3.050 -6.135 394 HG21 VAL 50 3HG2 VAL 50 -8.929 -1.313 -7.309 395 HG22 VAL 50 1HG2 VAL 50 -8.736 -1.365 -9.061 396 HG23 VAL 50 2HG2 VAL 50 -7.863 -2.509 -8.034 397 H ILE 51 H ILE 51 -9.837 -6.347 -8.902 398 HA ILE 51 HA ILE 51 -12.623 -6.648 -9.800 399 HB ILE 51 HB ILE 51 -12.164 -9.090 -9.974 400 HG12 ILE 51 2HG1 ILE 51 -9.261 -8.297 -9.563 401 HG13 ILE 51 1HG1 ILE 51 -10.250 -9.157 -8.394 402 HG21 ILE 51 1HG2 ILE 51 -10.872 -8.973 -12.063 403 HG22 ILE 51 2HG2 ILE 51 -10.423 -7.311 -11.677 404 HG23 ILE 51 3HG2 ILE 51 -12.115 -7.728 -11.955 405 HD11 ILE 51 3HD1 ILE 51 -9.492 -10.167 -11.116 406 HD12 ILE 51 1HD1 ILE 51 -10.438 -11.039 -9.910 407 HD13 ILE 51 2HD1 ILE 51 -8.746 -10.647 -9.590 408 H VAL 52 H VAL 52 -14.051 -7.817 -8.515 409 HA VAL 52 HA VAL 52 -13.213 -7.880 -5.721 410 HB VAL 52 HB VAL 52 -15.112 -6.411 -6.080 411 HG11 VAL 52 1HG1 VAL 52 -17.283 -7.218 -6.869 412 HG12 VAL 52 2HG1 VAL 52 -16.552 -8.778 -7.249 413 HG13 VAL 52 3HG1 VAL 52 -16.030 -7.325 -8.102 414 HG21 VAL 52 3HG2 VAL 52 -15.972 -8.949 -4.694 415 HG22 VAL 52 1HG2 VAL 52 -16.753 -7.377 -4.519 416 HG23 VAL 52 2HG2 VAL 52 -15.096 -7.603 -3.967 417 H ARG 53 H ARG 53 -13.027 -9.695 -4.636 418 HA ARG 53 HA ARG 53 -14.285 -12.076 -5.767 419 HB2 ARG 53 2HB ARG 53 -11.563 -11.861 -4.515 420 HB3 ARG 53 1HB ARG 53 -12.416 -13.396 -4.604 421 HG2 ARG 53 2HG ARG 53 -12.552 -13.148 -7.046 422 HG3 ARG 53 1HG ARG 53 -11.590 -11.669 -6.935 423 HD2 ARG 53 2HD ARG 53 -9.802 -12.920 -5.908 424 HD3 ARG 53 1HD ARG 53 -10.736 -14.405 -6.008 425 HE ARG 53 HE ARG 53 -10.146 -12.983 -8.494 426 HH11 ARG 53 1HH1 ARG 53 -9.577 -15.848 -6.446 427 HH12 ARG 53 2HH1 ARG 53 -8.674 -16.675 -7.627 428 HH21 ARG 53 1HH2 ARG 53 -8.889 -14.169 -10.127 429 HH22 ARG 53 2HH2 ARG 53 -8.309 -15.714 -9.764 430 H ALA 54 H ALA 54 -14.874 -13.736 -4.216 431 HA ALA 54 HA ALA 54 -15.813 -12.434 -1.768 432 HB1 ALA 54 1HB ALA 54 -17.740 -13.862 -1.905 433 HB2 ALA 54 2HB ALA 54 -17.095 -14.636 -3.350 434 HB3 ALA 54 3HB ALA 54 -17.560 -12.932 -3.392 435 H PHE 55 H PHE 55 -14.799 -13.190 -0.053 436 HA PHE 55 HA PHE 55 -13.872 -15.936 -0.072 437 HB2 PHE 55 2HB PHE 55 -12.512 -13.930 0.887 438 HB3 PHE 55 1HB PHE 55 -13.644 -13.989 2.233 439 HD1 PHE 55 2HD PHE 55 -11.170 -16.026 0.365 440 HD2 PHE 55 1HD PHE 55 -13.277 -15.460 4.010 441 HE1 PHE 55 2HE PHE 55 -9.782 -17.755 1.427 442 HE2 PHE 55 1HE PHE 55 -11.893 -17.188 5.081 443 HZ PHE 55 HZ PHE 55 -10.145 -18.340 3.791 444 H SER 56 H SER 56 -15.528 -17.193 0.111 445 HA SER 56 HA SER 56 -17.982 -16.562 1.387 446 HB2 SER 56 2HB SER 56 -17.902 -17.927 -0.626 447 HB3 SER 56 1HB SER 56 -16.943 -19.146 0.206 448 HG SER 56 HG SER 56 -19.527 -19.031 -0.000 449 H HIS 57 H HIS 57 -15.138 -18.312 2.351 450 HA HIS 57 HA HIS 57 -16.395 -19.496 4.677 451 HB2 HIS 57 2HB HIS 57 -13.447 -19.142 3.994 452 HB3 HIS 57 1HB HIS 57 -14.027 -19.965 5.432 453 HD1 HIS 57 1HD HIS 57 -14.890 -22.380 5.135 454 HD2 HIS 57 2HD HIS 57 -13.658 -20.606 1.598 455 HE1 HIS 57 1HE HIS 57 -14.778 -24.225 3.459 456 HE2 HIS 57 2HE HIS 57 -13.737 -23.172 1.457 457 H LYS 58 H LYS 58 -16.116 -18.727 6.847 458 HA LYS 58 HA LYS 58 -15.694 -15.874 6.798 459 HB2 LYS 58 2HB LYS 58 -17.788 -16.679 7.819 460 HB3 LYS 58 1HB LYS 58 -16.861 -17.599 8.987 461 HG2 LYS 58 2HG LYS 58 -16.086 -15.653 10.073 462 HG3 LYS 58 1HG LYS 58 -16.616 -14.619 8.753 463 HD2 LYS 58 2HD LYS 58 -18.609 -16.252 10.294 464 HD3 LYS 58 1HD LYS 58 -18.018 -14.727 10.943 465 HE2 LYS 58 2HE LYS 58 -20.117 -14.367 9.764 466 HE3 LYS 58 1HE LYS 58 -18.808 -13.563 8.921 467 HZ1 LYS 58 3HZ LYS 58 -20.308 -14.636 7.404 468 HZ2 LYS 58 1HZ LYS 58 -20.081 -16.135 8.118 469 HZ3 LYS 58 2HZ LYS 58 -18.825 -15.382 7.284 470 HA PRO 59 HA PRO 59 -11.477 -16.252 8.018 471 HB2 PRO 59 2HB PRO 59 -12.085 -13.586 9.202 472 HB3 PRO 59 1HB PRO 59 -10.745 -14.067 8.158 473 HG2 PRO 59 2HG PRO 59 -12.788 -12.690 7.180 474 HG3 PRO 59 1HG PRO 59 -12.045 -13.990 6.236 475 HD2 PRO 59 2HD PRO 59 -14.643 -13.950 7.684 476 HD3 PRO 59 1HD PRO 59 -14.162 -14.791 6.193 477 HA PRO 60 HA PRO 60 -11.401 -17.498 12.324 478 HB2 PRO 60 2HB PRO 60 -8.741 -16.771 12.782 479 HB3 PRO 60 1HB PRO 60 -9.265 -18.335 12.156 480 HG2 PRO 60 2HG PRO 60 -8.229 -15.952 10.687 481 HG3 PRO 60 1HG PRO 60 -7.949 -17.671 10.368 482 HD2 PRO 60 2HD PRO 60 -9.637 -16.242 8.886 483 HD3 PRO 60 1HD PRO 60 -9.993 -17.933 9.297 484 H LYS 61 H LYS 61 -11.362 -16.483 14.333 485 HA LYS 61 HA LYS 61 -11.953 -13.693 14.070 486 HB2 LYS 61 2HB LYS 61 -12.247 -15.531 16.444 487 HB3 LYS 61 1HB LYS 61 -12.651 -13.824 16.475 488 HG2 LYS 61 2HG LYS 61 -14.688 -14.987 16.172 489 HG3 LYS 61 1HG LYS 61 -14.285 -14.298 14.602 490 HD2 LYS 61 2HD LYS 61 -13.343 -16.506 13.949 491 HD3 LYS 61 1HD LYS 61 -13.909 -17.159 15.487 492 HE2 LYS 61 2HE LYS 61 -15.530 -17.692 13.807 493 HE3 LYS 61 1HE LYS 61 -16.203 -16.451 14.859 494 HZ1 LYS 61 3HZ LYS 61 -15.041 -16.030 12.161 495 HZ2 LYS 61 1HZ LYS 61 -15.605 -14.769 13.154 496 HZ3 LYS 61 2HZ LYS 61 -16.663 -15.946 12.596 497 H VAL 62 H VAL 62 -10.418 -12.364 14.060 498 HA VAL 62 HA VAL 62 -8.278 -12.603 16.002 499 HB VAL 62 HB VAL 62 -7.317 -10.560 14.707 500 HG11 VAL 62 1HG1 VAL 62 -6.445 -11.955 12.868 501 HG12 VAL 62 2HG1 VAL 62 -7.647 -13.189 13.252 502 HG13 VAL 62 3HG1 VAL 62 -6.386 -12.786 14.417 503 HG21 VAL 62 3HG2 VAL 62 -9.373 -11.460 12.687 504 HG22 VAL 62 1HG2 VAL 62 -8.105 -10.267 12.412 505 HG23 VAL 62 2HG2 VAL 62 -9.405 -9.937 13.572 506 H GLY 63 H GLY 63 -8.799 -11.812 17.877 507 HA2 GLY 63 2HA GLY 63 -11.007 -10.064 18.279 508 HA3 GLY 63 1HA GLY 63 -9.897 -10.633 19.509 509 H ASN 64 H ASN 64 -9.961 -8.462 16.761 510 HA ASN 64 HA ASN 64 -9.380 -6.088 18.183 511 HB2 ASN 64 2HB ASN 64 -7.096 -7.191 18.323 512 HB3 ASN 64 1HB ASN 64 -7.039 -7.115 16.562 513 HD21 ASN 64 1HD2 ASN 64 -5.355 -5.656 16.349 514 HD22 ASN 64 2HD2 ASN 64 -5.462 -4.041 16.917 515 H LEU 65 H LEU 65 -8.969 -7.877 15.154 516 HA LEU 65 HA LEU 65 -9.344 -5.438 13.629 517 HB2 LEU 65 2HB LEU 65 -8.723 -8.222 12.657 518 HB3 LEU 65 1HB LEU 65 -8.741 -6.767 11.688 519 HG LEU 65 HG LEU 65 -6.797 -7.383 13.909 520 HD11 LEU 65 1HD1 LEU 65 -5.147 -7.504 12.109 521 HD12 LEU 65 2HD1 LEU 65 -6.433 -7.281 10.924 522 HD13 LEU 65 3HD1 LEU 65 -6.403 -8.727 11.933 523 HD21 LEU 65 3HD2 LEU 65 -5.638 -5.358 13.117 524 HD22 LEU 65 1HD2 LEU 65 -7.228 -5.013 13.800 525 HD23 LEU 65 2HD2 LEU 65 -7.007 -5.025 12.054 526 HA PRO 66 HA PRO 66 -13.606 -6.495 12.729 527 HB2 PRO 66 2HB PRO 66 -13.409 -4.752 10.391 528 HB3 PRO 66 1HB PRO 66 -14.361 -4.520 11.855 529 HG2 PRO 66 2HG PRO 66 -12.196 -3.001 11.227 530 HG3 PRO 66 1HG PRO 66 -12.715 -3.314 12.890 531 HD2 PRO 66 2HD PRO 66 -10.483 -4.528 11.335 532 HD3 PRO 66 1HD PRO 66 -10.591 -4.098 13.059 533 H GLN 67 H GLN 67 -14.703 -7.751 11.163 534 HA GLN 67 HA GLN 67 -13.145 -9.651 9.879 535 HB2 GLN 67 2HB GLN 67 -15.535 -9.979 10.570 536 HB3 GLN 67 1HB GLN 67 -16.014 -9.052 9.151 537 HG2 GLN 67 2HG GLN 67 -14.789 -10.726 7.743 538 HG3 GLN 67 1HG GLN 67 -14.565 -11.695 9.194 539 HE21 GLN 67 1HE2 GLN 67 -15.964 -12.344 6.720 540 HE22 GLN 67 2HE2 GLN 67 -17.575 -12.701 7.156 541 H TYR 68 H TYR 68 -14.344 -6.629 8.585 542 HA TYR 68 HA TYR 68 -13.997 -7.402 5.906 543 HB2 TYR 68 2HB TYR 68 -14.049 -4.933 5.333 544 HB3 TYR 68 1HB TYR 68 -15.438 -5.554 6.195 545 HD1 TYR 68 1HD TYR 68 -12.250 -3.701 6.756 546 HD2 TYR 68 2HD TYR 68 -16.217 -4.426 8.076 547 HE1 TYR 68 1HE TYR 68 -12.060 -1.837 8.317 548 HE2 TYR 68 2HE TYR 68 -16.030 -2.551 9.662 549 HH TYR 68 HH TYR 68 -14.295 -1.257 10.807 550 H GLU 69 H GLU 69 -11.696 -6.160 8.208 551 HA GLU 69 HA GLU 69 -9.612 -5.750 6.273 552 HB2 GLU 69 2HB GLU 69 -9.445 -6.262 9.259 553 HB3 GLU 69 1HB GLU 69 -8.129 -5.693 8.252 554 HG2 GLU 69 2HG GLU 69 -10.677 -4.176 8.778 555 HG3 GLU 69 1HG GLU 69 -9.164 -3.941 9.643 556 H SER 70 H SER 70 -10.582 -8.256 8.573 557 HA SER 70 HA SER 70 -8.590 -10.112 8.160 558 HB2 SER 70 2HB SER 70 -11.476 -10.670 8.816 559 HB3 SER 70 1HB SER 70 -10.067 -11.633 9.268 560 HG SER 70 HG SER 70 -10.803 -10.266 10.962 561 H GLU 71 H GLU 71 -11.639 -9.631 6.376 562 HA GLU 71 HA GLU 71 -11.486 -11.969 4.832 563 HB2 GLU 71 2HB GLU 71 -13.568 -10.625 5.055 564 HB3 GLU 71 1HB GLU 71 -12.841 -9.347 4.091 565 HG2 GLU 71 2HG GLU 71 -12.761 -10.796 2.161 566 HG3 GLU 71 1HG GLU 71 -13.335 -12.155 3.118 567 H ALA 72 H ALA 72 -10.234 -8.713 4.345 568 HA ALA 72 HA ALA 72 -9.168 -9.133 1.757 569 HB1 ALA 72 1HB ALA 72 -7.811 -7.151 2.194 570 HB2 ALA 72 2HB ALA 72 -8.207 -7.247 3.910 571 HB3 ALA 72 3HB ALA 72 -9.471 -6.895 2.731 572 H ILE 73 H ILE 73 -7.736 -9.425 4.979 573 HA ILE 73 HA ILE 73 -5.185 -10.273 4.246 574 HB ILE 73 HB ILE 73 -6.769 -11.169 6.682 575 HG12 ILE 73 2HG1 ILE 73 -4.770 -8.908 6.386 576 HG13 ILE 73 1HG1 ILE 73 -6.511 -8.709 6.532 577 HG21 ILE 73 1HG2 ILE 73 -4.578 -11.650 7.710 578 HG22 ILE 73 2HG2 ILE 73 -3.786 -11.259 6.188 579 HG23 ILE 73 3HG2 ILE 73 -4.869 -12.645 6.285 580 HD11 ILE 73 3HD1 ILE 73 -6.425 -9.652 8.784 581 HD12 ILE 73 1HD1 ILE 73 -5.360 -8.253 8.641 582 HD13 ILE 73 2HD1 ILE 73 -4.686 -9.880 8.628 583 H MET 74 H MET 74 -8.105 -12.184 4.804 584 HA MET 74 HA MET 74 -6.905 -14.710 4.341 585 HB2 MET 74 2HB MET 74 -9.773 -13.860 4.165 586 HB3 MET 74 1HB MET 74 -9.230 -15.520 3.998 587 HG2 MET 74 2HG MET 74 -8.830 -13.819 6.452 588 HG3 MET 74 1HG MET 74 -10.155 -14.945 6.220 589 HE1 MET 74 3HE MET 74 -6.055 -14.996 5.962 590 HE2 MET 74 1HE MET 74 -5.817 -15.995 7.384 591 HE3 MET 74 2HE MET 74 -6.587 -14.419 7.535 592 H VAL 75 H VAL 75 -8.472 -12.481 2.103 593 HA VAL 75 HA VAL 75 -8.319 -14.358 -0.023 594 HB VAL 75 HB VAL 75 -8.659 -11.332 -0.146 595 HG11 VAL 75 1HG1 VAL 75 -9.402 -11.659 -2.466 596 HG12 VAL 75 2HG1 VAL 75 -9.027 -13.378 -2.346 597 HG13 VAL 75 3HG1 VAL 75 -7.729 -12.185 -2.268 598 HG21 VAL 75 3HG2 VAL 75 -11.017 -11.927 -0.677 599 HG22 VAL 75 1HG2 VAL 75 -10.509 -12.442 0.937 600 HG23 VAL 75 2HG2 VAL 75 -10.611 -13.611 -0.371 601 H ALA 76 H ALA 76 -6.165 -11.863 1.163 602 HA ALA 76 HA ALA 76 -4.247 -12.116 -0.913 603 HB1 ALA 76 1HB ALA 76 -4.307 -10.189 0.592 604 HB2 ALA 76 2HB ALA 76 -2.719 -10.962 0.597 605 HB3 ALA 76 3HB ALA 76 -3.834 -11.222 1.941 606 H PHE 77 H PHE 77 -4.801 -13.765 2.075 607 HA PHE 77 HA PHE 77 -2.448 -15.353 2.132 608 HB2 PHE 77 2HB PHE 77 -3.896 -14.856 4.092 609 HB3 PHE 77 1HB PHE 77 -5.179 -15.793 3.358 610 HD1 PHE 77 1HD PHE 77 -1.864 -15.962 4.940 611 HD2 PHE 77 2HD PHE 77 -5.237 -18.153 3.563 612 HE1 PHE 77 1HE PHE 77 -1.065 -17.941 6.156 613 HE2 PHE 77 2HE PHE 77 -4.453 -20.134 4.763 614 HZ PHE 77 HZ PHE 77 -2.359 -20.036 6.072 615 H GLU 78 H GLU 78 -5.651 -15.699 0.775 616 HA GLU 78 HA GLU 78 -5.578 -18.400 0.035 617 HB2 GLU 78 2HB GLU 78 -7.616 -17.021 0.259 618 HB3 GLU 78 1HB GLU 78 -7.138 -16.110 -1.159 619 HG2 GLU 78 2HG GLU 78 -8.835 -17.698 -1.734 620 HG3 GLU 78 1HG GLU 78 -7.314 -18.161 -2.506 621 H LEU 79 H LEU 79 -5.052 -15.429 -1.825 622 HA LEU 79 HA LEU 79 -4.315 -16.847 -4.236 623 HB2 LEU 79 2HB LEU 79 -4.247 -13.936 -3.505 624 HB3 LEU 79 1HB LEU 79 -3.945 -14.570 -5.109 625 HG LEU 79 HG LEU 79 -6.552 -14.850 -3.622 626 HD11 LEU 79 1HD1 LEU 79 -7.384 -13.143 -5.165 627 HD12 LEU 79 2HD1 LEU 79 -5.765 -12.968 -5.845 628 HD13 LEU 79 3HD1 LEU 79 -6.073 -12.510 -4.168 629 HD21 LEU 79 3HD2 LEU 79 -6.168 -16.607 -5.244 630 HD22 LEU 79 1HD2 LEU 79 -5.775 -15.400 -6.474 631 HD23 LEU 79 2HD2 LEU 79 -7.409 -15.495 -5.822 632 H ASN 80 H ASN 80 -2.717 -15.846 -1.464 633 HA ASN 80 HA ASN 80 -0.656 -15.303 -0.833 634 HB2 ASN 80 2HB ASN 80 -0.096 -17.603 -1.703 635 HB3 ASN 80 1HB ASN 80 0.281 -16.891 -3.268 636 HD21 ASN 80 1HD2 ASN 80 1.320 -17.320 0.006 637 HD22 ASN 80 2HD2 ASN 80 2.910 -16.702 -0.196 638 H ALA 81 H ALA 81 -1.555 -13.346 -1.449 639 HA ALA 81 HA ALA 81 -0.445 -12.098 -3.857 640 HB1 ALA 81 1HB ALA 81 -2.350 -10.622 -3.761 641 HB2 ALA 81 2HB ALA 81 -2.869 -11.359 -2.252 642 HB3 ALA 81 3HB ALA 81 -2.882 -12.307 -3.741 643 H LEU 82 H LEU 82 -0.484 -9.654 -3.528 644 HA LEU 82 HA LEU 82 1.232 -8.992 -1.272 645 HB2 LEU 82 2HB LEU 82 1.606 -8.401 -3.779 646 HB3 LEU 82 1HB LEU 82 0.295 -7.277 -3.590 647 HG LEU 82 HG LEU 82 2.461 -6.167 -3.554 648 HD11 LEU 82 1HD1 LEU 82 0.712 -5.098 -2.313 649 HD12 LEU 82 2HD1 LEU 82 2.273 -4.886 -1.508 650 HD13 LEU 82 3HD1 LEU 82 1.112 -6.053 -0.885 651 HD21 LEU 82 3HD2 LEU 82 3.812 -7.962 -2.680 652 HD22 LEU 82 1HD2 LEU 82 3.038 -7.814 -1.100 653 HD23 LEU 82 2HD2 LEU 82 4.036 -6.497 -1.724 654 H LEU 83 H LEU 83 0.279 -7.958 0.498 655 HA LEU 83 HA LEU 83 -2.509 -7.143 0.100 656 HB2 LEU 83 2HB LEU 83 -2.116 -8.861 1.830 657 HB3 LEU 83 1HB LEU 83 -1.083 -7.739 2.692 658 HG LEU 83 HG LEU 83 -3.056 -6.232 2.973 659 HD11 LEU 83 1HD1 LEU 83 -4.578 -8.575 1.871 660 HD12 LEU 83 2HD1 LEU 83 -4.418 -6.982 1.125 661 HD13 LEU 83 3HD1 LEU 83 -5.288 -7.163 2.646 662 HD21 LEU 83 3HD2 LEU 83 -3.327 -9.016 4.087 663 HD22 LEU 83 1HD2 LEU 83 -4.139 -7.576 4.710 664 HD23 LEU 83 2HD2 LEU 83 -2.384 -7.694 4.776 665 H ILE 84 H ILE 84 -3.027 -5.097 0.131 666 HA ILE 84 HA ILE 84 -1.039 -3.164 1.101 667 HB ILE 84 HB ILE 84 -3.372 -2.689 -0.791 668 HG12 ILE 84 2HG1 ILE 84 -0.417 -2.989 -1.418 669 HG13 ILE 84 1HG1 ILE 84 -1.663 -4.162 -1.791 670 HG21 ILE 84 1HG2 ILE 84 -2.718 -0.697 0.459 671 HG22 ILE 84 2HG2 ILE 84 -2.262 -0.533 -1.235 672 HG23 ILE 84 3HG2 ILE 84 -1.038 -0.922 -0.028 673 HD11 ILE 84 3HD1 ILE 84 -1.488 -1.380 -2.928 674 HD12 ILE 84 1HD1 ILE 84 -2.719 -2.583 -3.316 675 HD13 ILE 84 2HD1 ILE 84 -1.035 -2.868 -3.756 676 H ALA 85 H ALA 85 -1.519 -2.255 3.009 677 HA ALA 85 HA ALA 85 -4.273 -1.629 3.689 678 HB1 ALA 85 1HB ALA 85 -2.514 -3.353 5.441 679 HB2 ALA 85 2HB ALA 85 -3.957 -3.892 4.585 680 HB3 ALA 85 3HB ALA 85 -4.093 -2.710 5.888 681 H GLU 86 H GLU 86 -4.349 -0.144 5.515 682 HA GLU 86 HA GLU 86 -1.827 1.360 5.728 683 HB2 GLU 86 2HB GLU 86 -4.644 2.200 6.238 684 HB3 GLU 86 1HB GLU 86 -3.297 3.179 6.743 685 HG2 GLU 86 2HG GLU 86 -2.764 2.723 4.093 686 HG3 GLU 86 1HG GLU 86 -4.524 2.809 4.155 687 H ASP 87 H ASP 87 -4.029 -0.490 7.575 688 HA ASP 87 HA ASP 87 -3.294 0.795 10.043 689 HB2 ASP 87 2HB ASP 87 -5.583 -0.135 9.616 690 HB3 ASP 87 1HB ASP 87 -4.868 -1.740 9.726 691 H LYS 88 H LYS 88 -1.782 0.274 11.319 692 HA LYS 88 HA LYS 88 0.356 -1.318 10.689 693 HB2 LYS 88 2HB LYS 88 0.440 0.494 12.295 694 HB3 LYS 88 1HB LYS 88 -0.603 -0.405 13.381 695 HG2 LYS 88 2HG LYS 88 1.150 -2.096 13.660 696 HG3 LYS 88 1HG LYS 88 2.207 -1.164 12.595 697 HD2 LYS 88 2HD LYS 88 2.079 0.737 14.125 698 HD3 LYS 88 1HD LYS 88 1.003 -0.185 15.169 699 HE2 LYS 88 2HE LYS 88 2.766 -1.804 15.583 700 HE3 LYS 88 1HE LYS 88 3.850 -0.924 14.506 701 HZ1 LYS 88 3HZ LYS 88 2.660 0.119 17.013 702 HZ2 LYS 88 1HZ LYS 88 3.684 0.983 15.993 703 HZ3 LYS 88 2HZ LYS 88 4.259 -0.368 16.823 704 H ASP 89 H ASP 89 -2.484 -2.193 12.659 705 HA ASP 89 HA ASP 89 -1.197 -4.612 13.529 706 HB2 ASP 89 2HB ASP 89 -2.858 -3.371 14.947 707 HB3 ASP 89 1HB ASP 89 -4.118 -3.918 13.842 708 H VAL 90 H VAL 90 -3.541 -3.700 11.150 709 HA VAL 90 HA VAL 90 -4.282 -6.292 10.293 710 HB VAL 90 HB VAL 90 -4.070 -3.742 8.641 711 HG11 VAL 90 1HG1 VAL 90 -4.169 -5.763 7.228 712 HG12 VAL 90 2HG1 VAL 90 -5.635 -4.793 7.094 713 HG13 VAL 90 3HG1 VAL 90 -5.643 -6.263 8.062 714 HG21 VAL 90 3HG2 VAL 90 -5.551 -3.547 10.579 715 HG22 VAL 90 1HG2 VAL 90 -6.432 -4.973 10.038 716 HG23 VAL 90 2HG2 VAL 90 -6.457 -3.506 9.062 717 H ILE 91 H ILE 91 -1.731 -4.097 9.280 718 HA ILE 91 HA ILE 91 -0.519 -5.707 7.347 719 HB ILE 91 HB ILE 91 0.690 -3.574 9.131 720 HG12 ILE 91 2HG1 ILE 91 -0.216 -3.422 6.250 721 HG13 ILE 91 1HG1 ILE 91 -1.171 -2.873 7.625 722 HG21 ILE 91 1HG2 ILE 91 1.839 -4.811 6.619 723 HG22 ILE 91 2HG2 ILE 91 2.458 -5.026 8.255 724 HG23 ILE 91 3HG2 ILE 91 2.519 -3.436 7.491 725 HD11 ILE 91 3HD1 ILE 91 1.500 -1.792 6.771 726 HD12 ILE 91 1HD1 ILE 91 0.554 -1.231 8.149 727 HD13 ILE 91 2HD1 ILE 91 -0.069 -1.023 6.510 728 H ASN 92 H ASN 92 0.195 -5.378 10.834 729 HA ASN 92 HA ASN 92 2.285 -7.260 10.631 730 HB2 ASN 92 2HB ASN 92 2.488 -7.249 13.066 731 HB3 ASN 92 1HB ASN 92 2.475 -5.630 12.383 732 HD21 ASN 92 1HD2 ASN 92 -0.153 -7.862 13.488 733 HD22 ASN 92 2HD2 ASN 92 -0.828 -6.718 14.584 734 H LYS 93 H LYS 93 -1.053 -7.678 11.493 735 HA LYS 93 HA LYS 93 -0.708 -10.379 12.329 736 HB2 LYS 93 2HB LYS 93 -3.199 -9.031 11.273 737 HB3 LYS 93 1HB LYS 93 -3.175 -10.653 11.940 738 HG2 LYS 93 2HG LYS 93 -2.574 -8.081 13.398 739 HG3 LYS 93 1HG LYS 93 -3.995 -9.100 13.591 740 HD2 LYS 93 2HD LYS 93 -1.151 -9.896 14.267 741 HD3 LYS 93 1HD LYS 93 -2.370 -9.397 15.424 742 HE2 LYS 93 2HE LYS 93 -3.729 -11.329 14.887 743 HE3 LYS 93 1HE LYS 93 -2.603 -11.803 13.619 744 HZ1 LYS 93 3HZ LYS 93 -2.295 -13.049 15.684 745 HZ2 LYS 93 1HZ LYS 93 -1.934 -11.640 16.508 746 HZ3 LYS 93 2HZ LYS 93 -0.900 -12.188 15.297 747 H ALA 94 H ALA 94 -1.417 -8.949 9.193 748 HA ALA 94 HA ALA 94 -1.667 -11.404 7.835 749 HB1 ALA 94 1HB ALA 94 -1.290 -10.088 5.812 750 HB2 ALA 94 2HB ALA 94 -0.736 -8.734 6.799 751 HB3 ALA 94 3HB ALA 94 -2.412 -9.271 6.901 752 H LYS 95 H LYS 95 1.055 -9.287 8.538 753 HA LYS 95 HA LYS 95 3.055 -10.603 7.083 754 HB2 LYS 95 2HB LYS 95 3.197 -8.330 8.230 755 HB3 LYS 95 1HB LYS 95 3.419 -9.191 9.736 756 HG2 LYS 95 2HG LYS 95 5.577 -8.556 9.084 757 HG3 LYS 95 1HG LYS 95 5.461 -10.261 8.663 758 HD2 LYS 95 2HD LYS 95 6.571 -9.026 6.869 759 HD3 LYS 95 1HD LYS 95 5.011 -9.626 6.302 760 HE2 LYS 95 2HE LYS 95 4.019 -7.455 6.503 761 HE3 LYS 95 1HE LYS 95 5.416 -6.826 7.371 762 HZ1 LYS 95 3HZ LYS 95 5.267 -6.116 5.046 763 HZ2 LYS 95 1HZ LYS 95 5.482 -7.679 4.483 764 HZ3 LYS 95 2HZ LYS 95 6.699 -6.899 5.357 765 H GLU 96 H GLU 96 1.906 -11.051 10.414 766 HA GLU 96 HA GLU 96 3.607 -13.069 11.304 767 HB2 GLU 96 2HB GLU 96 0.695 -12.578 11.916 768 HB3 GLU 96 1HB GLU 96 1.637 -13.818 12.724 769 HG2 GLU 96 2HG GLU 96 3.107 -12.124 13.648 770 HG3 GLU 96 1HG GLU 96 2.227 -10.867 12.774 771 H LEU 97 H LEU 97 0.662 -13.318 9.399 772 HA LEU 97 HA LEU 97 0.624 -16.182 9.427 773 HB2 LEU 97 2HB LEU 97 -0.901 -14.234 7.711 774 HB3 LEU 97 1HB LEU 97 -1.203 -15.955 7.777 775 HG LEU 97 HG LEU 97 -1.556 -14.022 10.071 776 HD11 LEU 97 1HD1 LEU 97 -3.937 -14.456 9.773 777 HD12 LEU 97 2HD1 LEU 97 -3.578 -15.446 8.357 778 HD13 LEU 97 3HD1 LEU 97 -3.226 -13.717 8.340 779 HD21 LEU 97 3HD2 LEU 97 -0.918 -16.236 10.878 780 HD22 LEU 97 1HD2 LEU 97 -2.170 -16.976 9.873 781 HD23 LEU 97 2HD2 LEU 97 -2.620 -15.928 11.213 782 H GLY 98 H GLY 98 2.489 -14.011 7.764 783 HA2 GLY 98 2HA GLY 98 4.211 -14.694 6.319 784 HA3 GLY 98 1HA GLY 98 3.248 -16.096 5.859 785 H VAL 99 H VAL 99 1.517 -13.198 5.949 786 HA VAL 99 HA VAL 99 1.497 -13.134 3.037 787 HB VAL 99 HB VAL 99 -0.297 -11.705 5.020 788 HG11 VAL 99 1HG1 VAL 99 -0.182 -10.554 2.884 789 HG12 VAL 99 2HG1 VAL 99 -1.770 -11.292 3.102 790 HG13 VAL 99 3HG1 VAL 99 -0.587 -12.047 2.036 791 HG21 VAL 99 3HG2 VAL 99 -0.610 -14.105 5.165 792 HG22 VAL 99 1HG2 VAL 99 -0.835 -14.203 3.419 793 HG23 VAL 99 2HG2 VAL 99 -2.016 -13.349 4.411 794 H ASN 100 H ASN 100 2.478 -11.493 1.993 795 HA ASN 100 HA ASN 100 3.875 -9.600 3.633 796 HB2 ASN 100 2HB ASN 100 5.021 -10.570 1.674 797 HB3 ASN 100 1HB ASN 100 3.846 -9.790 0.622 798 HD21 ASN 100 1HD2 ASN 100 5.532 -8.660 -0.384 799 HD22 ASN 100 2HD2 ASN 100 6.249 -7.267 0.346 800 H ALA 101 H ALA 101 2.403 -8.406 4.524 801 HA ALA 101 HA ALA 101 0.732 -6.705 2.854 802 HB1 ALA 101 1HB ALA 101 -0.276 -7.766 4.833 803 HB2 ALA 101 2HB ALA 101 -0.283 -6.005 4.951 804 HB3 ALA 101 3HB ALA 101 0.903 -6.946 5.859 805 H ILE 102 H ILE 102 1.157 -4.607 2.591 806 HA ILE 102 HA ILE 102 3.233 -3.424 4.202 807 HB ILE 102 HB ILE 102 4.160 -2.279 2.110 808 HG12 ILE 102 2HG1 ILE 102 4.067 -3.786 0.013 809 HG13 ILE 102 1HG1 ILE 102 2.660 -4.522 0.756 810 HG21 ILE 102 1HG2 ILE 102 4.698 -5.197 2.507 811 HG22 ILE 102 2HG2 ILE 102 5.469 -3.836 3.323 812 HG23 ILE 102 3HG2 ILE 102 5.729 -4.091 1.599 813 HD11 ILE 102 3HD1 ILE 102 1.497 -2.388 0.697 814 HD12 ILE 102 1HD1 ILE 102 2.055 -2.843 -0.913 815 HD13 ILE 102 2HD1 ILE 102 2.923 -1.616 0.010 816 HA PRO 103 HA PRO 103 0.517 0.096 4.144 817 HB2 PRO 103 2HB PRO 103 2.869 1.861 4.152 818 HB3 PRO 103 1HB PRO 103 1.622 1.670 5.384 819 HG2 PRO 103 2HG PRO 103 4.143 0.791 5.727 820 HG3 PRO 103 1HG PRO 103 2.750 -0.024 6.451 821 HD2 PRO 103 2HD PRO 103 4.355 -0.782 4.048 822 HD3 PRO 103 1HD PRO 103 3.617 -1.810 5.294 823 H ILE 104 H ILE 104 0.004 1.907 2.843 824 HA ILE 104 HA ILE 104 0.211 1.536 0.104 825 HB ILE 104 HB ILE 104 -0.579 3.927 1.749 826 HG12 ILE 104 2HG1 ILE 104 -2.154 1.914 0.138 827 HG13 ILE 104 1HG1 ILE 104 -2.021 1.973 1.889 828 HG21 ILE 104 1HG2 ILE 104 -1.582 4.901 -0.309 829 HG22 ILE 104 2HG2 ILE 104 -0.649 3.725 -1.243 830 HG23 ILE 104 3HG2 ILE 104 0.178 4.922 -0.255 831 HD11 ILE 104 3HD1 ILE 104 -4.141 2.847 1.126 832 HD12 ILE 104 1HD1 ILE 104 -3.301 4.039 0.137 833 HD13 ILE 104 2HD1 ILE 104 -3.180 4.112 1.897 834 H GLU 105 H GLU 105 2.014 3.700 2.186 835 HA GLU 105 HA GLU 105 3.407 5.030 0.167 836 HB2 GLU 105 2HB GLU 105 4.145 4.623 3.070 837 HB3 GLU 105 1HB GLU 105 5.016 5.660 1.947 838 HG2 GLU 105 2HG GLU 105 3.502 6.944 3.402 839 HG3 GLU 105 1HG GLU 105 3.102 7.110 1.700 840 H GLU 106 H GLU 106 3.941 1.894 1.534 841 HA GLU 106 HA GLU 106 6.646 1.715 0.561 842 HB2 GLU 106 2HB GLU 106 4.778 -0.400 1.597 843 HB3 GLU 106 1HB GLU 106 6.431 -0.729 1.083 844 HG2 GLU 106 2HG GLU 106 5.534 1.015 3.348 845 HG3 GLU 106 1HG GLU 106 6.389 -0.527 3.455 846 H LEU 107 H LEU 107 3.474 0.802 -0.514 847 HA LEU 107 HA LEU 107 4.270 -0.644 -2.829 848 HB2 LEU 107 2HB LEU 107 1.968 -0.666 -1.800 849 HB3 LEU 107 1HB LEU 107 1.748 0.979 -2.326 850 HG LEU 107 HG LEU 107 0.547 -0.786 -3.677 851 HD11 LEU 107 1HD1 LEU 107 1.006 0.173 -5.839 852 HD12 LEU 107 2HD1 LEU 107 2.459 0.942 -5.195 853 HD13 LEU 107 3HD1 LEU 107 0.871 1.411 -4.590 854 HD21 LEU 107 3HD2 LEU 107 2.295 -2.485 -3.676 855 HD22 LEU 107 1HD2 LEU 107 3.322 -1.439 -4.655 856 HD23 LEU 107 2HD2 LEU 107 1.811 -2.064 -5.317 857 H LEU 108 H LEU 108 3.575 2.731 -2.161 858 HA LEU 108 HA LEU 108 4.027 3.754 -4.751 859 HB2 LEU 108 2HB LEU 108 4.493 5.093 -2.097 860 HB3 LEU 108 1HB LEU 108 4.350 5.900 -3.643 861 HG LEU 108 HG LEU 108 2.156 4.355 -2.277 862 HD11 LEU 108 1HD1 LEU 108 2.744 6.394 -1.105 863 HD12 LEU 108 2HD1 LEU 108 1.170 6.529 -1.887 864 HD13 LEU 108 3HD1 LEU 108 2.585 7.305 -2.604 865 HD21 LEU 108 3HD2 LEU 108 2.123 6.057 -4.776 866 HD22 LEU 108 1HD2 LEU 108 0.708 5.350 -3.994 867 HD23 LEU 108 2HD2 LEU 108 1.929 4.302 -4.704 868 H ALA 109 H ALA 109 6.180 3.261 -1.989 869 HA ALA 109 HA ALA 109 8.515 4.296 -3.227 870 HB1 ALA 109 1HB ALA 109 8.303 2.375 -0.913 871 HB2 ALA 109 2HB ALA 109 8.228 4.130 -0.789 872 HB3 ALA 109 3HB ALA 109 9.712 3.349 -1.343 873 H SER 110 H SER 110 6.822 1.516 -3.846 874 HA SER 110 HA SER 110 9.198 0.164 -4.882 875 HB2 SER 110 2HB SER 110 7.765 -1.045 -3.192 876 HB3 SER 110 1HB SER 110 6.453 -1.004 -4.363 877 HG SER 110 HG SER 110 8.122 -2.079 -5.791 878 H SER 111 H SER 111 6.970 2.309 -5.884 879 HA SER 111 HA SER 111 6.175 0.970 -8.326 880 HB2 SER 111 2HB SER 111 5.574 3.772 -7.347 881 HB3 SER 111 1HB SER 111 4.838 2.994 -8.749 882 HG SER 111 HG SER 111 4.693 1.934 -6.110 883 H LEU 112 H LEU 112 8.533 0.789 -8.708 884 HA LEU 112 HA LEU 112 9.317 2.406 -10.845 885 HB2 LEU 112 2HB LEU 112 11.397 3.396 -9.946 886 HB3 LEU 112 1HB LEU 112 10.002 4.047 -9.130 887 HG LEU 112 HG LEU 112 11.743 1.888 -7.901 888 HD11 LEU 112 1HD1 LEU 112 12.819 3.703 -6.662 889 HD12 LEU 112 2HD1 LEU 112 11.924 4.882 -7.621 890 HD13 LEU 112 3HD1 LEU 112 13.112 3.832 -8.394 891 HD21 LEU 112 3HD2 LEU 112 9.515 2.198 -6.918 892 HD22 LEU 112 1HD2 LEU 112 9.864 3.912 -6.692 893 HD23 LEU 112 2HD2 LEU 112 10.800 2.699 -5.817 894 H GLU 113 H GLU 113 11.946 1.819 -11.042 895 HA GLU 113 HA GLU 113 11.881 -1.009 -11.427 896 HB2 GLU 113 2HB GLU 113 14.017 -0.836 -12.503 897 HB3 GLU 113 1HB GLU 113 13.091 0.566 -12.986 898 HG2 GLU 113 2HG GLU 113 15.324 0.490 -10.956 899 HG3 GLU 113 1HG GLU 113 15.405 1.150 -12.583 900 H HIS 114 H HIS 114 12.776 0.970 -8.901 901 HA HIS 114 HA HIS 114 13.246 0.519 -6.715 902 HB2 HIS 114 2HB HIS 114 12.124 -1.690 -6.945 903 HB3 HIS 114 1HB HIS 114 13.583 -2.382 -7.612 904 HD1 HIS 114 1HD HIS 114 12.053 -1.270 -4.292 905 HD2 HIS 114 2HD HIS 114 15.403 -3.306 -5.715 906 HE1 HIS 114 1HE HIS 114 13.095 -2.289 -2.317 907 HE2 HIS 114 2HE HIS 114 14.883 -3.768 -3.227 908 H HIS 115 H HIS 115 15.069 1.006 -9.031 909 HA HIS 115 HA HIS 115 17.186 1.381 -9.568 910 HB2 HIS 115 2HB HIS 115 17.441 1.700 -6.577 911 HB3 HIS 115 1HB HIS 115 18.793 1.988 -7.663 912 HD1 HIS 115 1HD HIS 115 19.004 4.377 -8.392 913 HD2 HIS 115 2HD HIS 115 15.109 3.404 -7.318 914 HE1 HIS 115 1HE HIS 115 17.696 6.490 -8.613 915 HE2 HIS 115 2HE HIS 115 15.320 5.719 -8.370 916 H HIS 116 H HIS 116 17.958 -0.483 -6.648 917 HA HIS 116 HA HIS 116 19.261 -2.436 -8.400 918 HB2 HIS 116 2HB HIS 116 20.506 -1.372 -5.852 919 HB3 HIS 116 1HB HIS 116 21.196 -2.563 -6.944 920 HD1 HIS 116 1HD HIS 116 21.926 -1.552 -9.356 921 HD2 HIS 116 2HD HIS 116 21.199 1.174 -6.328 922 HE1 HIS 116 1HE HIS 116 23.028 0.581 -10.082 923 HE2 HIS 116 2HE HIS 116 22.886 2.029 -8.080 924 H HIS 117 H HIS 117 18.256 -4.299 -7.916 925 HA HIS 117 HA HIS 117 17.151 -4.777 -5.303 926 HB2 HIS 117 2HB HIS 117 16.396 -5.816 -7.559 927 HB3 HIS 117 1HB HIS 117 17.782 -6.873 -7.385 928 HD1 HIS 117 1HD HIS 117 14.286 -6.438 -6.284 929 HD2 HIS 117 2HD HIS 117 17.578 -8.703 -5.136 930 HE1 HIS 117 1HE HIS 117 13.382 -8.226 -4.801 931 HE2 HIS 117 2HE HIS 117 15.333 -9.743 -4.396 932 H HIS 118 H HIS 118 19.959 -5.422 -7.107 933 HA HIS 118 HA HIS 118 21.646 -5.584 -4.830 934 HB2 HIS 118 2HB HIS 118 21.328 -8.017 -6.597 935 HB3 HIS 118 1HB HIS 118 22.894 -7.650 -5.893 936 HD1 HIS 118 1HD HIS 118 20.521 -9.990 -5.306 937 HD2 HIS 118 2HD HIS 118 22.048 -7.011 -2.841 938 HE1 HIS 118 1HE HIS 118 20.081 -10.757 -2.968 939 HE2 HIS 118 2HE HIS 118 20.993 -8.950 -1.490 940 H HIS 119 H HIS 119 21.291 -5.957 -8.332 941 HA HIS 119 HA HIS 119 23.295 -3.891 -8.629 942 HB2 HIS 119 2HB HIS 119 23.175 -6.467 -10.230 943 HB3 HIS 119 1HB HIS 119 24.115 -5.060 -10.713 944 HD1 HIS 119 1HD HIS 119 26.220 -4.485 -9.217 945 HD2 HIS 119 2HD HIS 119 24.302 -8.041 -8.271 946 HE1 HIS 119 1HE HIS 119 27.804 -5.727 -7.748 947 HE2 HIS 119 2HE HIS 119 26.732 -7.993 -7.478 Start of MODEL 16 1 H1 MET 1 1HT MET 1 0.663 -10.725 -11.036 2 H2 MET 1 2HT MET 1 2.276 -10.911 -10.646 3 H3 MET 1 3HT MET 1 1.481 -9.460 -10.316 4 HA MET 1 HA MET 1 0.815 -12.035 -9.034 5 HB2 MET 1 2HB MET 1 3.042 -10.988 -8.404 6 HB3 MET 1 1HB MET 1 2.155 -9.567 -7.891 7 HG2 MET 1 2HG MET 1 1.006 -10.909 -6.195 8 HG3 MET 1 1HG MET 1 1.920 -12.327 -6.714 9 HE1 MET 1 2HE MET 1 1.891 -11.437 -3.687 10 HE2 MET 1 3HE MET 1 3.601 -11.573 -3.283 11 HE3 MET 1 1HE MET 1 2.838 -12.797 -4.297 12 H PHE 2 H PHE 2 -0.815 -11.693 -7.284 13 HA PHE 2 HA PHE 2 -2.683 -9.600 -8.015 14 HB2 PHE 2 2HB PHE 2 -2.886 -11.837 -5.972 15 HB3 PHE 2 1HB PHE 2 -4.163 -10.682 -6.298 16 HD1 PHE 2 1HD PHE 2 -5.186 -10.688 -8.627 17 HD2 PHE 2 2HD PHE 2 -2.685 -13.822 -7.202 18 HE1 PHE 2 1HE PHE 2 -6.098 -12.202 -10.338 19 HE2 PHE 2 2HE PHE 2 -3.583 -15.329 -8.912 20 HZ PHE 2 HZ PHE 2 -5.294 -14.523 -10.484 21 H ALA 3 H ALA 3 -3.458 -8.088 -6.488 22 HA ALA 3 HA ALA 3 -1.893 -7.766 -4.036 23 HB1 ALA 3 1HB ALA 3 -2.548 -5.551 -5.996 24 HB2 ALA 3 2HB ALA 3 -0.946 -6.224 -5.704 25 HB3 ALA 3 3HB ALA 3 -1.773 -5.337 -4.425 26 H VAL 4 H VAL 4 -3.348 -7.980 -2.490 27 HA VAL 4 HA VAL 4 -6.131 -7.350 -3.093 28 HB VAL 4 HB VAL 4 -4.961 -8.833 -0.724 29 HG11 VAL 4 1HG1 VAL 4 -7.825 -8.597 -1.674 30 HG12 VAL 4 2HG1 VAL 4 -7.149 -7.835 -0.236 31 HG13 VAL 4 3HG1 VAL 4 -7.270 -9.592 -0.326 32 HG21 VAL 4 3HG2 VAL 4 -4.565 -10.038 -2.798 33 HG22 VAL 4 1HG2 VAL 4 -6.276 -9.950 -3.208 34 HG23 VAL 4 2HG2 VAL 4 -5.763 -10.870 -1.806 35 H ILE 5 H ILE 5 -7.173 -5.744 -2.151 36 HA ILE 5 HA ILE 5 -5.617 -3.889 -0.517 37 HB ILE 5 HB ILE 5 -8.260 -3.499 -1.959 38 HG12 ILE 5 2HG1 ILE 5 -5.482 -2.619 -2.792 39 HG13 ILE 5 1HG1 ILE 5 -6.338 -3.996 -3.475 40 HG21 ILE 5 1HG2 ILE 5 -6.353 -1.500 -0.741 41 HG22 ILE 5 2HG2 ILE 5 -7.931 -1.949 -0.088 42 HG23 ILE 5 3HG2 ILE 5 -7.823 -1.108 -1.633 43 HD11 ILE 5 3HD1 ILE 5 -7.211 -1.120 -3.628 44 HD12 ILE 5 1HD1 ILE 5 -8.063 -2.500 -4.322 45 HD13 ILE 5 2HD1 ILE 5 -6.467 -2.055 -4.929 46 H SER 6 H SER 6 -6.112 -3.544 1.591 47 HA SER 6 HA SER 6 -8.427 -4.878 2.736 48 HB2 SER 6 2HB SER 6 -6.204 -3.310 4.082 49 HB3 SER 6 1HB SER 6 -7.389 -4.343 4.881 50 HG SER 6 HG SER 6 -5.990 -5.499 2.835 51 HA PRO 7 HA PRO 7 -10.963 -1.203 2.828 52 HB2 PRO 7 2HB PRO 7 -11.668 -1.977 5.619 53 HB3 PRO 7 1HB PRO 7 -12.729 -1.618 4.248 54 HG2 PRO 7 2HG PRO 7 -12.367 -4.135 4.960 55 HG3 PRO 7 1HG PRO 7 -12.337 -3.696 3.242 56 HD2 PRO 7 2HD PRO 7 -10.037 -4.226 5.092 57 HD3 PRO 7 1HD PRO 7 -10.310 -4.812 3.432 58 H SER 8 H SER 8 -8.519 -1.579 5.279 59 HA SER 8 HA SER 8 -8.736 1.085 6.271 60 HB2 SER 8 2HB SER 8 -6.320 0.569 7.036 61 HB3 SER 8 1HB SER 8 -7.622 -0.376 7.747 62 HG SER 8 HG SER 8 -6.935 -2.077 6.811 63 H ALA 9 H ALA 9 -7.436 -0.288 3.420 64 HA ALA 9 HA ALA 9 -5.609 1.915 2.915 65 HB1 ALA 9 1HB ALA 9 -4.886 -0.347 2.385 66 HB2 ALA 9 2HB ALA 9 -5.020 0.590 0.894 67 HB3 ALA 9 3HB ALA 9 -6.275 -0.563 1.332 68 H PHE 10 H PHE 10 -8.733 1.815 2.858 69 HA PHE 10 HA PHE 10 -9.403 2.543 0.178 70 HB2 PHE 10 2HB PHE 10 -10.922 2.762 2.756 71 HB3 PHE 10 1HB PHE 10 -11.545 3.360 1.225 72 HD1 PHE 10 1HD PHE 10 -9.720 0.563 0.358 73 HD2 PHE 10 2HD PHE 10 -13.302 1.660 2.363 74 HE1 PHE 10 1HE PHE 10 -10.659 -1.620 -0.143 75 HE2 PHE 10 2HE PHE 10 -14.250 -0.545 1.868 76 HZ PHE 10 HZ PHE 10 -12.942 -2.185 0.619 77 H GLY 11 H GLY 11 -10.222 4.523 -0.508 78 HA2 GLY 11 2HA GLY 11 -10.448 6.831 -0.473 79 HA3 GLY 11 1HA GLY 11 -9.459 6.896 0.980 80 H LYS 12 H LYS 12 -7.408 5.212 -0.100 81 HA LYS 12 HA LYS 12 -6.095 7.220 -1.782 82 HB2 LYS 12 2HB LYS 12 -4.952 5.088 0.014 83 HB3 LYS 12 1HB LYS 12 -4.009 6.287 -0.876 84 HG2 LYS 12 2HG LYS 12 -4.957 8.068 0.395 85 HG3 LYS 12 1HG LYS 12 -6.110 6.986 1.169 86 HD2 LYS 12 2HD LYS 12 -4.374 7.445 2.731 87 HD3 LYS 12 1HD LYS 12 -4.196 5.790 2.128 88 HE2 LYS 12 2HE LYS 12 -2.401 6.447 0.675 89 HE3 LYS 12 1HE LYS 12 -2.642 8.145 1.085 90 HZ1 LYS 12 3HZ LYS 12 -1.787 6.035 3.008 91 HZ2 LYS 12 1HZ LYS 12 -1.982 7.671 3.336 92 HZ3 LYS 12 2HZ LYS 12 -0.767 7.179 2.295 93 H LEU 13 H LEU 13 -7.877 4.947 -2.415 94 HA LEU 13 HA LEU 13 -6.605 2.764 -3.670 95 HB2 LEU 13 2HB LEU 13 -9.284 4.000 -4.275 96 HB3 LEU 13 1HB LEU 13 -8.757 2.417 -4.794 97 HG LEU 13 HG LEU 13 -9.182 3.242 -1.924 98 HD11 LEU 13 1HD1 LEU 13 -11.283 3.124 -3.161 99 HD12 LEU 13 2HD1 LEU 13 -11.141 1.789 -2.021 100 HD13 LEU 13 3HD1 LEU 13 -10.857 1.513 -3.740 101 HD21 LEU 13 3HD2 LEU 13 -7.482 1.519 -2.128 102 HD22 LEU 13 1HD2 LEU 13 -8.545 0.581 -3.181 103 HD23 LEU 13 2HD2 LEU 13 -8.977 0.828 -1.495 104 H LYS 14 H LYS 14 -7.590 5.897 -4.859 105 HA LYS 14 HA LYS 14 -7.297 5.236 -7.592 106 HB2 LYS 14 2HB LYS 14 -7.471 7.942 -6.249 107 HB3 LYS 14 1HB LYS 14 -7.614 7.671 -7.983 108 HG2 LYS 14 2HG LYS 14 -9.598 6.275 -7.610 109 HG3 LYS 14 1HG LYS 14 -9.446 6.522 -5.878 110 HD2 LYS 14 2HD LYS 14 -9.966 8.685 -7.919 111 HD3 LYS 14 1HD LYS 14 -11.200 7.931 -6.920 112 HE2 LYS 14 2HE LYS 14 -9.913 8.740 -4.903 113 HE3 LYS 14 1HE LYS 14 -8.902 9.666 -6.011 114 HZ1 LYS 14 3HZ LYS 14 -10.983 10.812 -6.771 115 HZ2 LYS 14 1HZ LYS 14 -10.643 11.066 -5.137 116 HZ3 LYS 14 2HZ LYS 14 -11.820 9.974 -5.555 117 H GLU 15 H GLU 15 -5.205 6.679 -5.210 118 HA GLU 15 HA GLU 15 -3.151 7.435 -6.938 119 HB2 GLU 15 2HB GLU 15 -3.005 6.696 -4.054 120 HB3 GLU 15 1HB GLU 15 -1.695 7.447 -4.951 121 HG2 GLU 15 2HG GLU 15 -2.619 9.276 -3.941 122 HG3 GLU 15 1HG GLU 15 -3.468 9.270 -5.465 123 H ILE 16 H ILE 16 -3.458 4.536 -4.885 124 HA ILE 16 HA ILE 16 -1.040 3.366 -5.680 125 HB ILE 16 HB ILE 16 -1.959 1.166 -4.907 126 HG12 ILE 16 2HG1 ILE 16 -4.439 2.792 -4.277 127 HG13 ILE 16 1HG1 ILE 16 -4.323 1.519 -5.486 128 HG21 ILE 16 1HG2 ILE 16 -2.111 1.810 -2.557 129 HG22 ILE 16 2HG2 ILE 16 -2.281 3.495 -3.055 130 HG23 ILE 16 3HG2 ILE 16 -0.789 2.620 -3.400 131 HD11 ILE 16 3HD1 ILE 16 -4.029 1.167 -2.509 132 HD12 ILE 16 1HD1 ILE 16 -3.915 -0.118 -3.715 133 HD13 ILE 16 2HD1 ILE 16 -5.439 0.744 -3.477 134 H LEU 17 H LEU 17 -4.204 3.062 -7.074 135 HA LEU 17 HA LEU 17 -3.693 1.067 -8.945 136 HB2 LEU 17 2HB LEU 17 -5.665 3.222 -8.597 137 HB3 LEU 17 1HB LEU 17 -5.482 2.616 -10.225 138 HG LEU 17 HG LEU 17 -6.315 0.475 -9.646 139 HD11 LEU 17 1HD1 LEU 17 -6.097 1.288 -6.769 140 HD12 LEU 17 2HD1 LEU 17 -5.027 0.119 -7.588 141 HD13 LEU 17 3HD1 LEU 17 -6.763 -0.217 -7.405 142 HD21 LEU 17 3HD2 LEU 17 -8.385 0.886 -8.700 143 HD22 LEU 17 1HD2 LEU 17 -7.974 2.308 -9.652 144 HD23 LEU 17 2HD2 LEU 17 -7.831 2.361 -7.893 145 H GLY 18 H GLY 18 -3.507 4.607 -9.381 146 HA2 GLY 18 2HA GLY 18 -2.585 4.256 -12.082 147 HA3 GLY 18 1HA GLY 18 -2.753 5.781 -11.234 148 H SER 19 H SER 19 -1.032 4.895 -9.007 149 HA SER 19 HA SER 19 1.403 5.818 -10.218 150 HB2 SER 19 2HB SER 19 0.958 4.949 -7.363 151 HB3 SER 19 1HB SER 19 2.292 5.927 -7.971 152 HG SER 19 HG SER 19 -0.452 6.590 -7.908 153 H ASN 20 H ASN 20 0.129 2.716 -9.625 154 HA ASN 20 HA ASN 20 2.865 1.660 -9.824 155 HB2 ASN 20 2HB ASN 20 1.899 1.257 -7.615 156 HB3 ASN 20 1HB ASN 20 0.545 0.424 -8.364 157 HD21 ASN 20 1HD2 ASN 20 0.965 -1.453 -7.326 158 HD22 ASN 20 2HD2 ASN 20 2.309 -2.467 -7.742 159 H LYS 21 H LYS 21 -0.527 0.644 -10.339 160 HA LYS 21 HA LYS 21 -1.519 -0.695 -11.873 161 HB2 LYS 21 2HB LYS 21 0.743 0.251 -13.644 162 HB3 LYS 21 1HB LYS 21 -0.681 -0.594 -14.220 163 HG2 LYS 21 2HG LYS 21 -2.084 1.274 -13.483 164 HG3 LYS 21 1HG LYS 21 -0.645 2.120 -12.910 165 HD2 LYS 21 2HD LYS 21 -1.082 1.245 -15.764 166 HD3 LYS 21 1HD LYS 21 -1.438 2.864 -15.168 167 HE2 LYS 21 2HE LYS 21 1.286 1.538 -15.101 168 HE3 LYS 21 1HE LYS 21 0.747 2.677 -16.322 169 HZ1 LYS 21 3HZ LYS 21 0.845 3.384 -13.430 170 HZ2 LYS 21 1HZ LYS 21 0.604 4.382 -14.754 171 HZ3 LYS 21 2HZ LYS 21 2.108 3.680 -14.513 172 H ASN 22 H ASN 22 -0.797 -2.410 -13.762 173 HA ASN 22 HA ASN 22 -0.010 -4.375 -14.392 174 HB2 ASN 22 2HB ASN 22 2.157 -3.136 -14.374 175 HB3 ASN 22 1HB ASN 22 2.466 -3.804 -12.784 176 HD21 ASN 22 1HD2 ASN 22 0.983 -5.532 -15.488 177 HD22 ASN 22 2HD2 ASN 22 2.274 -6.642 -15.712 178 H TYR 23 H TYR 23 -0.335 -3.901 -11.047 179 HA TYR 23 HA TYR 23 -0.251 -6.773 -10.517 180 HB2 TYR 23 2HB TYR 23 -0.770 -4.389 -8.745 181 HB3 TYR 23 1HB TYR 23 -1.139 -6.020 -8.221 182 HD1 TYR 23 2HD TYR 23 1.547 -3.681 -9.077 183 HD2 TYR 23 1HD TYR 23 0.608 -7.512 -7.517 184 HE1 TYR 23 2HE TYR 23 3.834 -3.882 -8.204 185 HE2 TYR 23 1HE TYR 23 2.895 -7.723 -6.639 186 HH TYR 23 HH TYR 23 5.090 -6.822 -6.974 187 H LYS 24 H LYS 24 -2.069 -7.914 -9.946 188 HA LYS 24 HA LYS 24 -4.477 -6.678 -10.976 189 HB2 LYS 24 2HB LYS 24 -3.903 -8.971 -11.741 190 HB3 LYS 24 1HB LYS 24 -4.030 -9.542 -10.088 191 HG2 LYS 24 2HG LYS 24 -6.024 -10.090 -11.428 192 HG3 LYS 24 1HG LYS 24 -6.404 -9.063 -10.049 193 HD2 LYS 24 2HD LYS 24 -7.621 -8.371 -12.072 194 HD3 LYS 24 1HD LYS 24 -6.534 -7.108 -11.514 195 HE2 LYS 24 2HE LYS 24 -6.459 -7.302 -13.943 196 HE3 LYS 24 1HE LYS 24 -4.910 -7.767 -13.249 197 HZ1 LYS 24 3HZ LYS 24 -5.506 -10.086 -13.562 198 HZ2 LYS 24 1HZ LYS 24 -5.607 -9.242 -15.013 199 HZ3 LYS 24 2HZ LYS 24 -7.012 -9.656 -14.186 200 H PHE 25 H PHE 25 -5.257 -5.377 -9.586 201 HA PHE 25 HA PHE 25 -4.986 -5.731 -6.778 202 HB2 PHE 25 2HB PHE 25 -6.563 -3.738 -8.394 203 HB3 PHE 25 1HB PHE 25 -6.313 -3.641 -6.650 204 HD1 PHE 25 2HD PHE 25 -3.962 -3.287 -5.804 205 HD2 PHE 25 1HD PHE 25 -4.995 -2.903 -9.917 206 HE1 PHE 25 2HE PHE 25 -1.903 -1.998 -6.199 207 HE2 PHE 25 1HE PHE 25 -2.938 -1.612 -10.317 208 HZ PHE 25 HZ PHE 25 -1.388 -1.159 -8.459 209 H VAL 26 H VAL 26 -6.386 -6.520 -5.417 210 HA VAL 26 HA VAL 26 -8.971 -7.478 -6.454 211 HB VAL 26 HB VAL 26 -7.252 -8.774 -4.354 212 HG11 VAL 26 1HG1 VAL 26 -9.699 -9.785 -5.782 213 HG12 VAL 26 2HG1 VAL 26 -9.588 -9.285 -4.096 214 HG13 VAL 26 3HG1 VAL 26 -8.719 -10.717 -4.649 215 HG21 VAL 26 3HG2 VAL 26 -6.744 -10.532 -6.021 216 HG22 VAL 26 1HG2 VAL 26 -6.080 -8.956 -6.456 217 HG23 VAL 26 2HG2 VAL 26 -7.535 -9.545 -7.254 218 H ILE 27 H ILE 27 -10.690 -6.982 -5.216 219 HA ILE 27 HA ILE 27 -10.195 -5.991 -2.522 220 HB ILE 27 HB ILE 27 -10.912 -4.145 -4.081 221 HG12 ILE 27 2HG1 ILE 27 -12.711 -3.238 -2.684 222 HG13 ILE 27 1HG1 ILE 27 -12.990 -4.832 -1.986 223 HG21 ILE 27 1HG2 ILE 27 -12.291 -5.459 -5.601 224 HG22 ILE 27 2HG2 ILE 27 -13.196 -4.095 -4.941 225 HG23 ILE 27 3HG2 ILE 27 -13.465 -5.720 -4.309 226 HD11 ILE 27 3HD1 ILE 27 -10.490 -3.187 -1.731 227 HD12 ILE 27 1HD1 ILE 27 -10.754 -4.773 -1.004 228 HD13 ILE 27 2HD1 ILE 27 -11.735 -3.405 -0.497 229 H THR 28 H THR 28 -11.942 -6.539 -1.021 230 HA THR 28 HA THR 28 -12.999 -9.136 -1.660 231 HB THR 28 HB THR 28 -13.482 -9.109 0.809 232 HG1 THR 28 1HG THR 28 -12.399 -7.455 1.962 233 HG21 THR 28 3HG2 THR 28 -11.159 -9.420 1.419 234 HG22 THR 28 1HG2 THR 28 -10.634 -8.572 -0.040 235 HG23 THR 28 2HG2 THR 28 -11.470 -10.120 -0.170 236 H THR 29 H THR 29 -15.178 -9.664 -0.818 237 HA THR 29 HA THR 29 -17.174 -8.012 -1.813 238 HB THR 29 HB THR 29 -18.529 -9.648 -0.177 239 HG1 THR 29 1HG THR 29 -16.309 -10.382 0.623 240 HG21 THR 29 3HG2 THR 29 -18.556 -11.259 -2.038 241 HG22 THR 29 1HG2 THR 29 -17.163 -10.449 -2.751 242 HG23 THR 29 2HG2 THR 29 -18.702 -9.597 -2.614 243 H LEU 30 H LEU 30 -15.986 -8.528 1.513 244 HA LEU 30 HA LEU 30 -17.909 -6.764 2.634 245 HB2 LEU 30 2HB LEU 30 -15.237 -7.682 3.698 246 HB3 LEU 30 1HB LEU 30 -16.410 -6.760 4.614 247 HG LEU 30 HG LEU 30 -16.819 -9.558 3.553 248 HD11 LEU 30 1HD1 LEU 30 -15.254 -9.495 5.401 249 HD12 LEU 30 2HD1 LEU 30 -16.788 -10.205 5.902 250 HD13 LEU 30 3HD1 LEU 30 -16.394 -8.546 6.353 251 HD21 LEU 30 3HD2 LEU 30 -18.878 -9.524 4.881 252 HD22 LEU 30 1HD2 LEU 30 -18.909 -8.317 3.599 253 HD23 LEU 30 2HD2 LEU 30 -18.598 -7.826 5.263 254 H GLY 31 H GLY 31 -14.775 -6.411 1.202 255 HA2 GLY 31 2HA GLY 31 -14.127 -3.815 2.016 256 HA3 GLY 31 1HA GLY 31 -13.587 -4.593 0.531 257 H VAL 32 H VAL 32 -15.653 -4.848 -1.039 258 HA VAL 32 HA VAL 32 -16.170 -2.227 -1.888 259 HB VAL 32 HB VAL 32 -17.847 -3.155 -3.498 260 HG11 VAL 32 1HG1 VAL 32 -15.522 -3.045 -4.115 261 HG12 VAL 32 2HG1 VAL 32 -16.265 -4.497 -4.787 262 HG13 VAL 32 3HG1 VAL 32 -15.229 -4.612 -3.364 263 HG21 VAL 32 3HG2 VAL 32 -18.743 -4.989 -2.169 264 HG22 VAL 32 1HG2 VAL 32 -17.175 -5.795 -2.204 265 HG23 VAL 32 2HG2 VAL 32 -18.094 -5.591 -3.694 266 H SER 33 H SER 33 -18.177 -4.382 0.011 267 HA SER 33 HA SER 33 -20.507 -2.821 -0.038 268 HB2 SER 33 2HB SER 33 -19.559 -4.675 2.154 269 HB3 SER 33 1HB SER 33 -21.227 -4.192 1.829 270 HG SER 33 HG SER 33 -19.563 -5.967 0.455 271 H PHE 34 H PHE 34 -17.679 -2.787 2.074 272 HA PHE 34 HA PHE 34 -18.666 -0.904 3.957 273 HB2 PHE 34 2HB PHE 34 -16.781 -2.511 4.365 274 HB3 PHE 34 1HB PHE 34 -15.813 -1.601 3.222 275 HD1 PHE 34 1HD PHE 34 -17.580 -1.342 6.467 276 HD2 PHE 34 2HD PHE 34 -14.568 0.257 3.921 277 HE1 PHE 34 1HE PHE 34 -16.781 0.083 8.305 278 HE2 PHE 34 2HE PHE 34 -13.772 1.683 5.754 279 HZ PHE 34 HZ PHE 34 -14.876 1.593 7.948 280 H ALA 35 H ALA 35 -16.756 -0.684 0.998 281 HA ALA 35 HA ALA 35 -16.210 2.079 1.127 282 HB1 ALA 35 1HB ALA 35 -15.661 1.911 -1.242 283 HB2 ALA 35 2HB ALA 35 -16.443 0.332 -1.324 284 HB3 ALA 35 3HB ALA 35 -14.985 0.547 -0.354 285 H ILE 36 H ILE 36 -18.830 0.250 -0.362 286 HA ILE 36 HA ILE 36 -20.200 2.304 -1.643 287 HB ILE 36 HB ILE 36 -21.280 -0.211 -0.338 288 HG12 ILE 36 2HG1 ILE 36 -19.778 -0.629 -2.224 289 HG13 ILE 36 1HG1 ILE 36 -21.423 -1.097 -2.624 290 HG21 ILE 36 1HG2 ILE 36 -23.104 1.381 -0.463 291 HG22 ILE 36 2HG2 ILE 36 -23.346 0.068 -1.616 292 HG23 ILE 36 3HG2 ILE 36 -22.782 1.640 -2.179 293 HD11 ILE 36 3HD1 ILE 36 -20.374 -0.016 -4.502 294 HD12 ILE 36 1HD1 ILE 36 -20.005 1.407 -3.525 295 HD13 ILE 36 2HD1 ILE 36 -21.681 0.997 -3.887 296 H LYS 37 H LYS 37 -20.687 1.104 1.681 297 HA LYS 37 HA LYS 37 -22.693 3.053 2.131 298 HB2 LYS 37 2HB LYS 37 -22.762 2.244 4.465 299 HB3 LYS 37 1HB LYS 37 -22.898 0.971 3.282 300 HG2 LYS 37 2HG LYS 37 -21.518 0.041 4.917 301 HG3 LYS 37 1HG LYS 37 -20.392 0.572 3.678 302 HD2 LYS 37 2HD LYS 37 -19.527 1.131 5.885 303 HD3 LYS 37 1HD LYS 37 -19.925 2.607 5.008 304 HE2 LYS 37 2HE LYS 37 -22.012 2.811 6.241 305 HE3 LYS 37 1HE LYS 37 -21.691 1.266 7.037 306 HZ1 LYS 37 3HZ LYS 37 -21.155 3.204 8.435 307 HZ2 LYS 37 1HZ LYS 37 -20.008 3.696 7.313 308 HZ3 LYS 37 2HZ LYS 37 -19.821 2.237 8.156 309 H SER 38 H SER 38 -19.313 3.203 2.400 310 HA SER 38 HA SER 38 -19.399 5.400 4.279 311 HB2 SER 38 2HB SER 38 -17.043 4.175 2.843 312 HB3 SER 38 1HB SER 38 -16.960 5.326 4.180 313 HG SER 38 HG SER 38 -17.616 2.627 4.160 314 H GLY 39 H GLY 39 -19.278 4.987 0.821 315 HA2 GLY 39 2HA GLY 39 -19.682 6.710 -0.721 316 HA3 GLY 39 1HA GLY 39 -19.344 7.886 0.544 317 H ILE 40 H ILE 40 -17.401 5.178 -0.552 318 HA ILE 40 HA ILE 40 -15.175 7.046 -1.004 319 HB ILE 40 HB ILE 40 -15.130 4.027 -0.574 320 HG12 ILE 40 2HG1 ILE 40 -14.476 6.258 1.364 321 HG13 ILE 40 1HG1 ILE 40 -15.941 5.292 1.390 322 HG21 ILE 40 1HG2 ILE 40 -12.717 4.302 -0.230 323 HG22 ILE 40 2HG2 ILE 40 -12.864 6.029 -0.544 324 HG23 ILE 40 3HG2 ILE 40 -13.185 4.871 -1.834 325 HD11 ILE 40 3HD1 ILE 40 -14.557 3.293 1.811 326 HD12 ILE 40 1HD1 ILE 40 -14.411 4.526 3.066 327 HD13 ILE 40 2HD1 ILE 40 -13.135 4.345 1.872 328 H ASP 41 H ASP 41 -13.883 6.721 -2.960 329 HA ASP 41 HA ASP 41 -15.484 6.116 -5.252 330 HB2 ASP 41 2HB ASP 41 -12.511 6.735 -5.103 331 HB3 ASP 41 1HB ASP 41 -13.423 6.560 -6.587 332 H ILE 42 H ILE 42 -15.997 3.958 -4.875 333 HA ILE 42 HA ILE 42 -13.813 2.055 -5.112 334 HB ILE 42 HB ILE 42 -15.530 1.571 -3.409 335 HG12 ILE 42 2HG1 ILE 42 -16.085 -0.782 -4.045 336 HG13 ILE 42 1HG1 ILE 42 -15.521 -0.435 -5.674 337 HG21 ILE 42 1HG2 ILE 42 -17.466 2.570 -4.381 338 HG22 ILE 42 2HG2 ILE 42 -17.801 0.872 -4.034 339 HG23 ILE 42 3HG2 ILE 42 -17.474 1.388 -5.688 340 HD11 ILE 42 3HD1 ILE 42 -13.281 0.017 -4.792 341 HD12 ILE 42 1HD1 ILE 42 -13.828 -1.608 -4.384 342 HD13 ILE 42 2HD1 ILE 42 -13.855 -0.338 -3.164 343 H ASP 43 H ASP 43 -16.373 3.443 -6.924 344 HA ASP 43 HA ASP 43 -16.540 1.630 -9.077 345 HB2 ASP 43 2HB ASP 43 -17.560 3.418 -10.374 346 HB3 ASP 43 1HB ASP 43 -18.170 3.514 -8.732 347 H SER 44 H SER 44 -14.423 4.283 -8.386 348 HA SER 44 HA SER 44 -13.119 4.387 -10.886 349 HB2 SER 44 2HB SER 44 -12.170 5.365 -8.204 350 HB3 SER 44 1HB SER 44 -11.721 5.986 -9.797 351 HG SER 44 HG SER 44 -14.359 6.040 -9.689 352 H ALA 45 H ALA 45 -12.782 2.498 -8.031 353 HA ALA 45 HA ALA 45 -10.098 1.707 -8.502 354 HB1 ALA 45 1HB ALA 45 -12.205 0.528 -6.688 355 HB2 ALA 45 2HB ALA 45 -11.000 1.733 -6.230 356 HB3 ALA 45 3HB ALA 45 -10.495 0.099 -6.662 357 H LEU 46 H LEU 46 -13.271 0.174 -8.713 358 HA LEU 46 HA LEU 46 -12.542 -2.259 -9.881 359 HB2 LEU 46 2HB LEU 46 -15.080 -0.678 -10.293 360 HB3 LEU 46 1HB LEU 46 -14.871 -2.387 -10.616 361 HG LEU 46 HG LEU 46 -14.795 -1.066 -7.903 362 HD11 LEU 46 1HD1 LEU 46 -16.844 -2.875 -9.162 363 HD12 LEU 46 2HD1 LEU 46 -17.025 -1.152 -8.828 364 HD13 LEU 46 3HD1 LEU 46 -16.865 -2.299 -7.496 365 HD21 LEU 46 3HD2 LEU 46 -13.288 -2.980 -7.960 366 HD22 LEU 46 1HD2 LEU 46 -14.561 -3.987 -8.647 367 HD23 LEU 46 2HD2 LEU 46 -14.719 -3.355 -7.011 368 H ASP 47 H ASP 47 -13.399 0.819 -11.278 369 HA ASP 47 HA ASP 47 -13.394 0.337 -13.996 370 HB2 ASP 47 2HB ASP 47 -13.988 2.489 -12.974 371 HB3 ASP 47 1HB ASP 47 -12.305 2.754 -12.555 372 H ARG 48 H ARG 48 -10.627 1.032 -11.895 373 HA ARG 48 HA ARG 48 -8.850 0.977 -14.143 374 HB2 ARG 48 2HB ARG 48 -8.311 1.373 -11.244 375 HB3 ARG 48 1HB ARG 48 -7.046 1.409 -12.474 376 HG2 ARG 48 2HG ARG 48 -8.251 3.246 -13.629 377 HG3 ARG 48 1HG ARG 48 -9.463 3.093 -12.340 378 HD2 ARG 48 2HD ARG 48 -8.081 3.912 -10.726 379 HD3 ARG 48 1HD ARG 48 -6.623 3.776 -11.720 380 HE ARG 48 HE ARG 48 -7.036 5.842 -12.447 381 HH11 ARG 48 1HH1 ARG 48 -10.248 4.589 -11.470 382 HH12 ARG 48 2HH1 ARG 48 -11.085 5.979 -12.010 383 HH21 ARG 48 1HH2 ARG 48 -8.247 7.725 -13.161 384 HH22 ARG 48 2HH2 ARG 48 -9.931 7.785 -12.982 385 H GLY 49 H GLY 49 -10.138 -1.405 -12.263 386 HA2 GLY 49 2HA GLY 49 -9.557 -3.548 -13.427 387 HA3 GLY 49 1HA GLY 49 -7.890 -3.124 -13.100 388 H VAL 50 H VAL 50 -9.743 -2.255 -10.454 389 HA VAL 50 HA VAL 50 -8.724 -4.447 -8.950 390 HB VAL 50 HB VAL 50 -10.818 -2.389 -8.137 391 HG11 VAL 50 1HG1 VAL 50 -9.125 -4.219 -6.440 392 HG12 VAL 50 2HG1 VAL 50 -10.860 -4.375 -6.719 393 HG13 VAL 50 3HG1 VAL 50 -10.226 -2.978 -5.842 394 HG21 VAL 50 3HG2 VAL 50 -7.844 -2.424 -7.644 395 HG22 VAL 50 1HG2 VAL 50 -8.980 -1.248 -6.998 396 HG23 VAL 50 2HG2 VAL 50 -8.702 -1.344 -8.739 397 H ILE 51 H ILE 51 -9.588 -6.362 -8.650 398 HA ILE 51 HA ILE 51 -12.266 -6.837 -9.724 399 HB ILE 51 HB ILE 51 -11.680 -9.234 -9.791 400 HG12 ILE 51 2HG1 ILE 51 -8.911 -8.352 -8.913 401 HG13 ILE 51 1HG1 ILE 51 -10.060 -9.215 -7.898 402 HG21 ILE 51 1HG2 ILE 51 -10.044 -9.102 -11.617 403 HG22 ILE 51 2HG2 ILE 51 -9.688 -7.435 -11.158 404 HG23 ILE 51 3HG2 ILE 51 -11.295 -7.863 -11.742 405 HD11 ILE 51 3HD1 ILE 51 -8.825 -10.253 -10.440 406 HD12 ILE 51 1HD1 ILE 51 -9.957 -11.127 -9.409 407 HD13 ILE 51 2HD1 ILE 51 -8.357 -10.709 -8.799 408 H VAL 52 H VAL 52 -13.755 -8.108 -8.617 409 HA VAL 52 HA VAL 52 -13.521 -7.784 -5.722 410 HB VAL 52 HB VAL 52 -15.990 -8.550 -7.307 411 HG11 VAL 52 1HG1 VAL 52 -17.217 -7.874 -5.291 412 HG12 VAL 52 2HG1 VAL 52 -15.684 -7.566 -4.475 413 HG13 VAL 52 3HG1 VAL 52 -16.101 -9.203 -4.966 414 HG21 VAL 52 3HG2 VAL 52 -15.155 -5.827 -6.313 415 HG22 VAL 52 1HG2 VAL 52 -16.723 -6.218 -7.020 416 HG23 VAL 52 2HG2 VAL 52 -15.258 -6.341 -7.997 417 H ARG 53 H ARG 53 -12.969 -9.462 -4.564 418 HA ARG 53 HA ARG 53 -13.552 -12.145 -5.590 419 HB2 ARG 53 2HB ARG 53 -11.175 -11.806 -5.413 420 HB3 ARG 53 1HB ARG 53 -11.341 -11.154 -3.796 421 HG2 ARG 53 2HG ARG 53 -10.409 -13.395 -3.736 422 HG3 ARG 53 1HG ARG 53 -11.993 -13.372 -2.967 423 HD2 ARG 53 2HD ARG 53 -12.972 -14.337 -4.963 424 HD3 ARG 53 1HD ARG 53 -11.408 -14.287 -5.779 425 HE ARG 53 HE ARG 53 -10.916 -15.741 -3.525 426 HH11 ARG 53 1HH1 ARG 53 -13.476 -16.056 -5.938 427 HH12 ARG 53 2HH1 ARG 53 -13.407 -17.762 -5.977 428 HH21 ARG 53 1HH2 ARG 53 -10.808 -18.037 -3.586 429 HH22 ARG 53 2HH2 ARG 53 -11.856 -18.927 -4.595 430 H ALA 54 H ALA 54 -14.970 -13.246 -4.510 431 HA ALA 54 HA ALA 54 -15.746 -12.404 -1.837 432 HB1 ALA 54 1HB ALA 54 -17.544 -12.799 -3.455 433 HB2 ALA 54 2HB ALA 54 -17.594 -14.007 -2.168 434 HB3 ALA 54 3HB ALA 54 -16.932 -14.426 -3.750 435 H PHE 55 H PHE 55 -14.894 -13.516 -0.164 436 HA PHE 55 HA PHE 55 -13.180 -15.708 -0.717 437 HB2 PHE 55 2HB PHE 55 -12.906 -13.946 1.155 438 HB3 PHE 55 1HB PHE 55 -14.149 -14.837 2.022 439 HD1 PHE 55 2HD PHE 55 -11.066 -15.723 0.111 440 HD2 PHE 55 1HD PHE 55 -13.290 -16.166 3.703 441 HE1 PHE 55 2HE PHE 55 -9.342 -17.229 0.983 442 HE2 PHE 55 1HE PHE 55 -11.559 -17.678 4.581 443 HZ PHE 55 HZ PHE 55 -9.585 -18.208 3.218 444 H SER 56 H SER 56 -14.123 -17.432 -1.427 445 HA SER 56 HA SER 56 -16.783 -18.241 -0.915 446 HB2 SER 56 2HB SER 56 -15.515 -18.751 -3.008 447 HB3 SER 56 1HB SER 56 -14.506 -19.867 -2.097 448 HG SER 56 HG SER 56 -15.961 -21.264 -2.638 449 H HIS 57 H HIS 57 -13.735 -19.010 0.495 450 HA HIS 57 HA HIS 57 -14.722 -21.205 2.098 451 HB2 HIS 57 2HB HIS 57 -12.276 -20.850 1.433 452 HB3 HIS 57 1HB HIS 57 -12.250 -19.484 2.532 453 HD1 HIS 57 1HD HIS 57 -12.737 -20.220 5.210 454 HD2 HIS 57 2HD HIS 57 -11.581 -23.210 2.552 455 HE1 HIS 57 1HE HIS 57 -11.919 -22.049 6.607 456 HE2 HIS 57 2HE HIS 57 -10.806 -23.575 4.977 457 H LYS 58 H LYS 58 -15.411 -20.952 4.302 458 HA LYS 58 HA LYS 58 -16.421 -18.393 4.998 459 HB2 LYS 58 2HB LYS 58 -15.964 -20.805 6.777 460 HB3 LYS 58 1HB LYS 58 -16.930 -19.396 7.196 461 HG2 LYS 58 2HG LYS 58 -18.435 -19.915 5.292 462 HG3 LYS 58 1HG LYS 58 -17.515 -21.390 5.017 463 HD2 LYS 58 2HD LYS 58 -18.996 -20.695 7.556 464 HD3 LYS 58 1HD LYS 58 -19.572 -21.796 6.311 465 HE2 LYS 58 2HE LYS 58 -17.627 -23.243 6.716 466 HE3 LYS 58 1HE LYS 58 -17.094 -22.154 7.994 467 HZ1 LYS 58 3HZ LYS 58 -19.650 -23.658 7.960 468 HZ2 LYS 58 1HZ LYS 58 -19.147 -22.615 9.186 469 HZ3 LYS 58 2HZ LYS 58 -18.300 -24.037 8.889 470 HA PRO 59 HA PRO 59 -12.549 -16.698 6.165 471 HB2 PRO 59 2HB PRO 59 -13.452 -14.577 7.672 472 HB3 PRO 59 1HB PRO 59 -13.376 -14.588 5.907 473 HG2 PRO 59 2HG PRO 59 -15.711 -15.070 7.704 474 HG3 PRO 59 1HG PRO 59 -15.645 -14.196 6.165 475 HD2 PRO 59 2HD PRO 59 -16.613 -16.703 6.363 476 HD3 PRO 59 1HD PRO 59 -15.757 -16.131 4.917 477 HA PRO 60 HA PRO 60 -11.833 -18.516 10.240 478 HB2 PRO 60 2HB PRO 60 -9.168 -17.318 9.627 479 HB3 PRO 60 1HB PRO 60 -9.554 -18.950 10.185 480 HG2 PRO 60 2HG PRO 60 -8.855 -18.554 7.663 481 HG3 PRO 60 1HG PRO 60 -10.172 -19.672 8.059 482 HD2 PRO 60 2HD PRO 60 -10.319 -16.876 7.013 483 HD3 PRO 60 1HD PRO 60 -11.279 -18.309 6.576 484 H LYS 61 H LYS 61 -11.721 -17.534 12.213 485 HA LYS 61 HA LYS 61 -12.164 -14.697 12.116 486 HB2 LYS 61 2HB LYS 61 -13.723 -16.083 13.388 487 HB3 LYS 61 1HB LYS 61 -12.416 -16.611 14.440 488 HG2 LYS 61 2HG LYS 61 -13.775 -14.898 15.516 489 HG3 LYS 61 1HG LYS 61 -12.129 -14.318 15.242 490 HD2 LYS 61 2HD LYS 61 -12.915 -13.174 13.195 491 HD3 LYS 61 1HD LYS 61 -14.557 -13.707 13.567 492 HE2 LYS 61 2HE LYS 61 -14.516 -12.428 15.626 493 HE3 LYS 61 1HE LYS 61 -12.843 -11.958 15.317 494 HZ1 LYS 61 3HZ LYS 61 -13.587 -10.827 13.310 495 HZ2 LYS 61 1HZ LYS 61 -14.355 -10.219 14.676 496 HZ3 LYS 61 2HZ LYS 61 -15.189 -11.243 13.644 497 H VAL 62 H VAL 62 -10.468 -13.455 12.133 498 HA VAL 62 HA VAL 62 -8.153 -14.061 13.766 499 HB VAL 62 HB VAL 62 -8.759 -11.544 12.163 500 HG11 VAL 62 1HG1 VAL 62 -7.084 -11.186 13.890 501 HG12 VAL 62 2HG1 VAL 62 -6.344 -11.122 12.290 502 HG13 VAL 62 3HG1 VAL 62 -6.150 -12.560 13.293 503 HG21 VAL 62 3HG2 VAL 62 -8.677 -13.475 10.673 504 HG22 VAL 62 1HG2 VAL 62 -7.118 -13.948 11.347 505 HG23 VAL 62 2HG2 VAL 62 -7.265 -12.448 10.430 506 H GLY 63 H GLY 63 -8.722 -13.935 15.840 507 HA2 GLY 63 2HA GLY 63 -10.669 -12.077 16.838 508 HA3 GLY 63 1HA GLY 63 -9.708 -13.195 17.799 509 H ASN 64 H ASN 64 -9.459 -10.265 15.948 510 HA ASN 64 HA ASN 64 -8.225 -8.686 17.918 511 HB2 ASN 64 2HB ASN 64 -6.256 -10.087 17.609 512 HB3 ASN 64 1HB ASN 64 -6.356 -9.903 15.863 513 HD21 ASN 64 1HD2 ASN 64 -5.559 -8.094 14.930 514 HD22 ASN 64 2HD2 ASN 64 -4.661 -6.884 15.728 515 H LEU 65 H LEU 65 -8.642 -9.386 14.483 516 HA LEU 65 HA LEU 65 -8.683 -6.508 13.934 517 HB2 LEU 65 2HB LEU 65 -8.185 -8.843 12.119 518 HB3 LEU 65 1HB LEU 65 -8.402 -7.204 11.552 519 HG LEU 65 HG LEU 65 -6.168 -8.192 13.313 520 HD11 LEU 65 1HD1 LEU 65 -6.244 -7.330 10.440 521 HD12 LEU 65 2HD1 LEU 65 -6.023 -8.977 11.039 522 HD13 LEU 65 3HD1 LEU 65 -4.804 -7.745 11.365 523 HD21 LEU 65 3HD2 LEU 65 -6.688 -5.883 13.857 524 HD22 LEU 65 1HD2 LEU 65 -6.715 -5.457 12.147 525 HD23 LEU 65 2HD2 LEU 65 -5.208 -5.937 12.910 526 HA PRO 66 HA PRO 66 -13.008 -6.615 12.789 527 HB2 PRO 66 2HB PRO 66 -12.160 -5.096 10.375 528 HB3 PRO 66 1HB PRO 66 -13.379 -4.681 11.580 529 HG2 PRO 66 2HG PRO 66 -11.042 -3.420 11.538 530 HG3 PRO 66 1HG PRO 66 -11.816 -3.846 13.074 531 HD2 PRO 66 2HD PRO 66 -9.514 -5.146 11.686 532 HD3 PRO 66 1HD PRO 66 -9.790 -4.865 13.418 533 H GLN 67 H GLN 67 -14.313 -7.727 11.412 534 HA GLN 67 HA GLN 67 -13.382 -9.991 10.109 535 HB2 GLN 67 2HB GLN 67 -15.668 -9.682 10.979 536 HB3 GLN 67 1HB GLN 67 -15.995 -8.552 9.679 537 HG2 GLN 67 2HG GLN 67 -15.571 -10.395 8.056 538 HG3 GLN 67 1HG GLN 67 -15.430 -11.495 9.425 539 HE21 GLN 67 1HE2 GLN 67 -17.535 -10.052 10.908 540 HE22 GLN 67 2HE2 GLN 67 -19.020 -10.523 10.161 541 H TYR 68 H TYR 68 -14.406 -6.884 8.727 542 HA TYR 68 HA TYR 68 -14.052 -7.743 6.084 543 HB2 TYR 68 2HB TYR 68 -14.079 -5.252 5.470 544 HB3 TYR 68 1HB TYR 68 -15.494 -5.920 6.251 545 HD1 TYR 68 2HD TYR 68 -12.379 -4.016 7.040 546 HD2 TYR 68 1HD TYR 68 -16.417 -4.839 8.065 547 HE1 TYR 68 2HE TYR 68 -12.320 -2.221 8.704 548 HE2 TYR 68 1HE TYR 68 -16.366 -3.042 9.729 549 HH TYR 68 HH TYR 68 -14.772 -1.793 11.035 550 H GLU 69 H GLU 69 -11.742 -6.321 8.279 551 HA GLU 69 HA GLU 69 -9.680 -5.949 6.330 552 HB2 GLU 69 2HB GLU 69 -9.410 -6.508 9.299 553 HB3 GLU 69 1HB GLU 69 -8.152 -5.882 8.254 554 HG2 GLU 69 2HG GLU 69 -10.711 -4.455 8.921 555 HG3 GLU 69 1HG GLU 69 -9.169 -4.185 9.719 556 H SER 70 H SER 70 -10.732 -8.505 8.456 557 HA SER 70 HA SER 70 -8.598 -10.295 8.095 558 HB2 SER 70 2HB SER 70 -11.469 -10.931 8.796 559 HB3 SER 70 1HB SER 70 -10.068 -11.959 9.104 560 HG SER 70 HG SER 70 -10.508 -9.363 10.189 561 H GLU 71 H GLU 71 -11.701 -9.941 6.370 562 HA GLU 71 HA GLU 71 -11.441 -12.191 4.735 563 HB2 GLU 71 2HB GLU 71 -13.563 -10.942 4.955 564 HB3 GLU 71 1HB GLU 71 -12.862 -9.584 4.088 565 HG2 GLU 71 2HG GLU 71 -12.676 -10.914 2.076 566 HG3 GLU 71 1HG GLU 71 -13.237 -12.341 2.933 567 H ALA 72 H ALA 72 -10.220 -8.910 4.351 568 HA ALA 72 HA ALA 72 -9.194 -9.204 1.732 569 HB1 ALA 72 1HB ALA 72 -7.843 -7.238 2.237 570 HB2 ALA 72 2HB ALA 72 -8.200 -7.421 3.956 571 HB3 ALA 72 3HB ALA 72 -9.492 -7.022 2.823 572 H ILE 73 H ILE 73 -7.687 -9.606 4.890 573 HA ILE 73 HA ILE 73 -5.133 -10.403 4.062 574 HB ILE 73 HB ILE 73 -6.631 -11.439 6.489 575 HG12 ILE 73 2HG1 ILE 73 -4.820 -9.028 6.246 576 HG13 ILE 73 1HG1 ILE 73 -6.572 -8.972 6.403 577 HG21 ILE 73 1HG2 ILE 73 -3.665 -11.272 5.918 578 HG22 ILE 73 2HG2 ILE 73 -4.630 -12.748 6.019 579 HG23 ILE 73 3HG2 ILE 73 -4.381 -11.750 7.455 580 HD11 ILE 73 3HD1 ILE 73 -4.640 -10.045 8.441 581 HD12 ILE 73 1HD1 ILE 73 -6.394 -10.006 8.608 582 HD13 ILE 73 2HD1 ILE 73 -5.481 -8.499 8.509 583 H MET 74 H MET 74 -8.042 -12.308 4.592 584 HA MET 74 HA MET 74 -6.816 -14.840 4.134 585 HB2 MET 74 2HB MET 74 -9.717 -14.058 4.026 586 HB3 MET 74 1HB MET 74 -9.122 -15.704 3.964 587 HG2 MET 74 2HG MET 74 -8.724 -13.817 6.280 588 HG3 MET 74 1HG MET 74 -10.007 -15.005 6.179 589 HE1 MET 74 3HE MET 74 -5.592 -15.815 7.270 590 HE2 MET 74 1HE MET 74 -6.350 -14.243 7.160 591 HE3 MET 74 2HE MET 74 -5.857 -15.109 5.692 592 H VAL 75 H VAL 75 -8.544 -12.650 1.993 593 HA VAL 75 HA VAL 75 -8.436 -14.417 -0.186 594 HB VAL 75 HB VAL 75 -8.766 -11.400 -0.084 595 HG11 VAL 75 1HG1 VAL 75 -7.698 -11.913 -2.207 596 HG12 VAL 75 2HG1 VAL 75 -9.403 -11.535 -2.485 597 HG13 VAL 75 3HG1 VAL 75 -8.846 -13.212 -2.490 598 HG21 VAL 75 3HG2 VAL 75 -10.660 -13.681 -0.688 599 HG22 VAL 75 1HG2 VAL 75 -11.079 -11.977 -0.807 600 HG23 VAL 75 2HG2 VAL 75 -10.657 -12.667 0.750 601 H ALA 76 H ALA 76 -6.213 -11.943 0.976 602 HA ALA 76 HA ALA 76 -4.328 -12.194 -1.113 603 HB1 ALA 76 1HB ALA 76 -3.891 -11.387 1.757 604 HB2 ALA 76 2HB ALA 76 -4.363 -10.305 0.453 605 HB3 ALA 76 3HB ALA 76 -2.780 -11.086 0.419 606 H PHE 77 H PHE 77 -4.945 -13.974 1.772 607 HA PHE 77 HA PHE 77 -2.554 -15.467 1.840 608 HB2 PHE 77 2HB PHE 77 -4.126 -15.156 3.777 609 HB3 PHE 77 1HB PHE 77 -5.266 -16.212 2.968 610 HD1 PHE 77 1HD PHE 77 -2.117 -16.022 4.809 611 HD2 PHE 77 2HD PHE 77 -4.889 -18.613 2.890 612 HE1 PHE 77 1HE PHE 77 -1.071 -17.953 5.916 613 HE2 PHE 77 2HE PHE 77 -3.851 -20.548 3.994 614 HZ PHE 77 HZ PHE 77 -1.937 -20.220 5.510 615 H GLU 78 H GLU 78 -5.803 -16.157 0.498 616 HA GLU 78 HA GLU 78 -5.044 -18.751 -0.365 617 HB2 GLU 78 2HB GLU 78 -7.151 -18.944 -1.532 618 HB3 GLU 78 1HB GLU 78 -7.451 -18.120 -0.014 619 HG2 GLU 78 2HG GLU 78 -7.713 -16.021 -1.123 620 HG3 GLU 78 1HG GLU 78 -7.113 -16.689 -2.636 621 H LEU 79 H LEU 79 -5.047 -15.635 -1.958 622 HA LEU 79 HA LEU 79 -4.397 -16.770 -4.538 623 HB2 LEU 79 2HB LEU 79 -4.473 -13.904 -3.613 624 HB3 LEU 79 1HB LEU 79 -4.199 -14.414 -5.265 625 HG LEU 79 HG LEU 79 -6.707 -14.900 -3.684 626 HD11 LEU 79 1HD1 LEU 79 -6.123 -12.942 -5.908 627 HD12 LEU 79 2HD1 LEU 79 -6.408 -12.541 -4.213 628 HD13 LEU 79 3HD1 LEU 79 -7.706 -13.229 -5.184 629 HD21 LEU 79 3HD2 LEU 79 -6.370 -16.640 -5.346 630 HD22 LEU 79 1HD2 LEU 79 -6.044 -15.419 -6.582 631 HD23 LEU 79 2HD2 LEU 79 -7.655 -15.556 -5.875 632 H ASN 80 H ASN 80 -2.733 -16.003 -1.794 633 HA ASN 80 HA ASN 80 -0.579 -15.674 -1.196 634 HB2 ASN 80 2HB ASN 80 -0.249 -17.832 -2.349 635 HB3 ASN 80 1HB ASN 80 -0.013 -17.002 -3.878 636 HD21 ASN 80 1HD2 ASN 80 1.370 -16.048 -0.777 637 HD22 ASN 80 2HD2 ASN 80 3.005 -16.337 -1.226 638 H ALA 81 H ALA 81 -1.460 -13.523 -1.610 639 HA ALA 81 HA ALA 81 -0.168 -12.117 -3.843 640 HB1 ALA 81 1HB ALA 81 -2.098 -10.677 -3.868 641 HB2 ALA 81 2HB ALA 81 -2.773 -11.531 -2.483 642 HB3 ALA 81 3HB ALA 81 -2.604 -12.367 -4.024 643 H LEU 82 H LEU 82 -0.233 -9.678 -3.320 644 HA LEU 82 HA LEU 82 1.039 -9.298 -0.724 645 HB2 LEU 82 2HB LEU 82 0.691 -7.430 -3.076 646 HB3 LEU 82 1HB LEU 82 1.480 -6.996 -1.577 647 HG LEU 82 HG LEU 82 2.438 -9.051 -3.563 648 HD11 LEU 82 1HD1 LEU 82 3.511 -6.347 -2.793 649 HD12 LEU 82 2HD1 LEU 82 2.732 -6.761 -4.325 650 HD13 LEU 82 3HD1 LEU 82 4.282 -7.485 -3.895 651 HD21 LEU 82 3HD2 LEU 82 4.431 -9.160 -2.145 652 HD22 LEU 82 1HD2 LEU 82 2.989 -9.724 -1.298 653 HD23 LEU 82 2HD2 LEU 82 3.634 -8.121 -0.958 654 H LEU 83 H LEU 83 0.150 -8.017 0.831 655 HA LEU 83 HA LEU 83 -2.613 -7.295 0.254 656 HB2 LEU 83 2HB LEU 83 -2.268 -8.886 2.080 657 HB3 LEU 83 1HB LEU 83 -1.303 -7.703 2.944 658 HG LEU 83 HG LEU 83 -3.353 -6.221 2.937 659 HD11 LEU 83 1HD1 LEU 83 -4.682 -8.778 2.091 660 HD12 LEU 83 2HD1 LEU 83 -4.579 -7.284 1.153 661 HD13 LEU 83 3HD1 LEU 83 -5.507 -7.327 2.651 662 HD21 LEU 83 3HD2 LEU 83 -2.648 -7.405 4.926 663 HD22 LEU 83 1HD2 LEU 83 -3.492 -8.856 4.382 664 HD23 LEU 83 2HD2 LEU 83 -4.406 -7.405 4.796 665 H ILE 84 H ILE 84 -3.098 -5.266 0.102 666 HA ILE 84 HA ILE 84 -1.157 -3.233 0.904 667 HB ILE 84 HB ILE 84 -3.699 -2.942 -0.745 668 HG12 ILE 84 2HG1 ILE 84 -0.827 -3.069 -1.708 669 HG13 ILE 84 1HG1 ILE 84 -1.988 -4.382 -1.850 670 HG21 ILE 84 1HG2 ILE 84 -2.754 -0.765 -1.388 671 HG22 ILE 84 2HG2 ILE 84 -1.382 -1.050 -0.320 672 HG23 ILE 84 3HG2 ILE 84 -3.001 -0.875 0.354 673 HD11 ILE 84 3HD1 ILE 84 -3.365 -3.030 -3.318 674 HD12 ILE 84 1HD1 ILE 84 -1.723 -3.153 -3.943 675 HD13 ILE 84 2HD1 ILE 84 -2.251 -1.674 -3.137 676 H ALA 85 H ALA 85 -1.469 -2.519 2.919 677 HA ALA 85 HA ALA 85 -4.198 -1.988 3.815 678 HB1 ALA 85 1HB ALA 85 -3.738 -3.018 5.996 679 HB2 ALA 85 2HB ALA 85 -2.158 -3.539 5.412 680 HB3 ALA 85 3HB ALA 85 -3.622 -4.204 4.693 681 H GLU 86 H GLU 86 -4.326 -0.330 5.297 682 HA GLU 86 HA GLU 86 -1.886 1.268 5.498 683 HB2 GLU 86 2HB GLU 86 -4.772 1.984 5.520 684 HB3 GLU 86 1HB GLU 86 -3.605 3.098 6.203 685 HG2 GLU 86 2HG GLU 86 -3.502 1.986 3.407 686 HG3 GLU 86 1HG GLU 86 -4.193 3.553 3.837 687 H ASP 87 H ASP 87 -4.229 -0.376 7.401 688 HA ASP 87 HA ASP 87 -3.519 0.953 9.837 689 HB2 ASP 87 2HB ASP 87 -5.751 -0.040 9.568 690 HB3 ASP 87 1HB ASP 87 -5.018 -1.635 9.415 691 H LYS 88 H LYS 88 -1.851 0.548 11.032 692 HA LYS 88 HA LYS 88 0.180 -1.171 10.188 693 HB2 LYS 88 2HB LYS 88 -0.186 0.309 12.760 694 HB3 LYS 88 1HB LYS 88 1.239 -0.653 12.400 695 HG2 LYS 88 2HG LYS 88 1.669 0.755 10.434 696 HG3 LYS 88 1HG LYS 88 0.260 1.732 10.851 697 HD2 LYS 88 2HD LYS 88 1.256 2.387 12.932 698 HD3 LYS 88 1HD LYS 88 2.597 1.273 12.692 699 HE2 LYS 88 2HE LYS 88 3.240 3.564 12.214 700 HE3 LYS 88 1HE LYS 88 3.350 2.556 10.773 701 HZ1 LYS 88 3HZ LYS 88 2.373 4.734 10.349 702 HZ2 LYS 88 1HZ LYS 88 1.110 4.406 11.406 703 HZ3 LYS 88 2HZ LYS 88 1.287 3.517 9.980 704 H ASP 89 H ASP 89 -2.442 -1.810 12.426 705 HA ASP 89 HA ASP 89 -1.040 -4.035 13.575 706 HB2 ASP 89 2HB ASP 89 -2.710 -2.654 14.856 707 HB3 ASP 89 1HB ASP 89 -3.962 -3.337 13.825 708 H VAL 90 H VAL 90 -3.602 -3.426 11.277 709 HA VAL 90 HA VAL 90 -4.165 -6.071 10.555 710 HB VAL 90 HB VAL 90 -4.147 -3.613 8.754 711 HG11 VAL 90 1HG1 VAL 90 -5.455 -6.303 8.306 712 HG12 VAL 90 2HG1 VAL 90 -4.062 -5.679 7.430 713 HG13 VAL 90 3HG1 VAL 90 -5.632 -4.888 7.264 714 HG21 VAL 90 3HG2 VAL 90 -6.543 -3.556 9.140 715 HG22 VAL 90 1HG2 VAL 90 -5.675 -3.455 10.672 716 HG23 VAL 90 2HG2 VAL 90 -6.431 -4.975 10.173 717 H ILE 91 H ILE 91 -1.700 -3.838 9.395 718 HA ILE 91 HA ILE 91 -0.511 -5.442 7.470 719 HB ILE 91 HB ILE 91 0.735 -3.310 9.227 720 HG12 ILE 91 2HG1 ILE 91 -0.172 -3.199 6.348 721 HG13 ILE 91 1HG1 ILE 91 -1.125 -2.625 7.713 722 HG21 ILE 91 1HG2 ILE 91 1.874 -4.592 6.734 723 HG22 ILE 91 2HG2 ILE 91 2.502 -4.765 8.372 724 HG23 ILE 91 3HG2 ILE 91 2.555 -3.195 7.571 725 HD11 ILE 91 3HD1 ILE 91 -0.008 -0.804 6.560 726 HD12 ILE 91 1HD1 ILE 91 1.552 -1.575 6.849 727 HD13 ILE 91 2HD1 ILE 91 0.596 -0.975 8.208 728 H ASN 92 H ASN 92 0.310 -5.183 10.963 729 HA ASN 92 HA ASN 92 2.359 -7.105 10.595 730 HB2 ASN 92 2HB ASN 92 2.743 -7.194 12.995 731 HB3 ASN 92 1HB ASN 92 2.575 -5.529 12.451 732 HD21 ASN 92 1HD2 ASN 92 1.019 -8.152 14.248 733 HD22 ASN 92 2HD2 ASN 92 -0.068 -7.088 15.075 734 H LYS 93 H LYS 93 -0.942 -7.391 11.766 735 HA LYS 93 HA LYS 93 -0.726 -10.075 12.578 736 HB2 LYS 93 2HB LYS 93 -3.085 -8.566 11.526 737 HB3 LYS 93 1HB LYS 93 -3.220 -10.179 12.202 738 HG2 LYS 93 2HG LYS 93 -2.277 -7.706 13.661 739 HG3 LYS 93 1HG LYS 93 -3.864 -8.450 13.822 740 HD2 LYS 93 2HD LYS 93 -1.240 -9.788 14.526 741 HD3 LYS 93 1HD LYS 93 -2.332 -9.019 15.671 742 HE2 LYS 93 2HE LYS 93 -4.069 -10.629 15.174 743 HE3 LYS 93 1HE LYS 93 -3.096 -11.335 13.894 744 HZ1 LYS 93 3HZ LYS 93 -3.020 -12.613 15.964 745 HZ2 LYS 93 1HZ LYS 93 -2.313 -11.314 16.760 746 HZ3 LYS 93 2HZ LYS 93 -1.507 -12.090 15.502 747 H ALA 94 H ALA 94 -1.534 -8.693 9.439 748 HA ALA 94 HA ALA 94 -2.035 -11.128 8.143 749 HB1 ALA 94 1HB ALA 94 -2.702 -8.974 7.230 750 HB2 ALA 94 2HB ALA 94 -1.697 -9.865 6.083 751 HB3 ALA 94 3HB ALA 94 -1.009 -8.539 7.022 752 H LYS 95 H LYS 95 0.952 -9.229 8.547 753 HA LYS 95 HA LYS 95 2.404 -11.022 6.906 754 HB2 LYS 95 2HB LYS 95 4.361 -9.739 7.340 755 HB3 LYS 95 1HB LYS 95 3.019 -8.622 7.220 756 HG2 LYS 95 2HG LYS 95 3.056 -8.922 9.857 757 HG3 LYS 95 1HG LYS 95 4.743 -9.294 9.520 758 HD2 LYS 95 2HD LYS 95 3.260 -6.765 8.783 759 HD3 LYS 95 1HD LYS 95 4.557 -6.942 9.961 760 HE2 LYS 95 2HE LYS 95 4.827 -7.386 6.995 761 HE3 LYS 95 1HE LYS 95 5.239 -5.885 7.825 762 HZ1 LYS 95 3HZ LYS 95 7.168 -7.229 7.414 763 HZ2 LYS 95 1HZ LYS 95 6.526 -8.535 8.257 764 HZ3 LYS 95 2HZ LYS 95 6.922 -7.117 9.076 765 H GLU 96 H GLU 96 1.645 -10.955 10.243 766 HA GLU 96 HA GLU 96 3.475 -12.990 11.025 767 HB2 GLU 96 2HB GLU 96 0.901 -12.037 12.267 768 HB3 GLU 96 1HB GLU 96 1.939 -13.241 13.007 769 HG2 GLU 96 2HG GLU 96 3.759 -11.551 13.053 770 HG3 GLU 96 1HG GLU 96 2.613 -10.367 12.428 771 H LEU 97 H LEU 97 0.275 -12.974 9.589 772 HA LEU 97 HA LEU 97 -0.150 -15.784 10.019 773 HB2 LEU 97 2HB LEU 97 -1.605 -13.806 8.272 774 HB3 LEU 97 1HB LEU 97 -2.085 -15.480 8.473 775 HG LEU 97 HG LEU 97 -2.022 -13.399 10.660 776 HD11 LEU 97 1HD1 LEU 97 -3.778 -12.968 9.058 777 HD12 LEU 97 2HD1 LEU 97 -4.474 -13.583 10.560 778 HD13 LEU 97 3HD1 LEU 97 -4.314 -14.642 9.156 779 HD21 LEU 97 3HD2 LEU 97 -3.200 -15.096 11.986 780 HD22 LEU 97 1HD2 LEU 97 -1.583 -15.629 11.521 781 HD23 LEU 97 2HD2 LEU 97 -2.997 -16.257 10.672 782 H GLY 98 H GLY 98 1.639 -13.985 7.857 783 HA2 GLY 98 2HA GLY 98 3.214 -15.258 6.506 784 HA3 GLY 98 1HA GLY 98 1.911 -16.376 6.163 785 H VAL 99 H VAL 99 0.898 -13.129 6.049 786 HA VAL 99 HA VAL 99 1.060 -13.205 3.110 787 HB VAL 99 HB VAL 99 -0.747 -11.528 4.869 788 HG11 VAL 99 1HG1 VAL 99 -0.847 -12.057 1.911 789 HG12 VAL 99 2HG1 VAL 99 -0.334 -10.561 2.689 790 HG13 VAL 99 3HG1 VAL 99 -2.007 -11.101 2.837 791 HG21 VAL 99 3HG2 VAL 99 -1.333 -13.858 5.172 792 HG22 VAL 99 1HG2 VAL 99 -1.403 -14.095 3.424 793 HG23 VAL 99 2HG2 VAL 99 -2.575 -13.043 4.220 794 H ASN 100 H ASN 100 2.300 -11.573 2.144 795 HA ASN 100 HA ASN 100 3.614 -9.784 3.965 796 HB2 ASN 100 2HB ASN 100 4.828 -10.727 1.990 797 HB3 ASN 100 1HB ASN 100 3.793 -9.761 0.943 798 HD21 ASN 100 1HD2 ASN 100 5.621 -8.631 0.149 799 HD22 ASN 100 2HD2 ASN 100 6.395 -7.413 1.093 800 H ALA 101 H ALA 101 2.275 -8.425 4.804 801 HA ALA 101 HA ALA 101 0.529 -6.829 3.119 802 HB1 ALA 101 1HB ALA 101 0.822 -6.907 6.120 803 HB2 ALA 101 2HB ALA 101 -0.399 -7.763 5.179 804 HB3 ALA 101 3HB ALA 101 -0.394 -5.999 5.219 805 H ILE 102 H ILE 102 0.981 -4.857 2.583 806 HA ILE 102 HA ILE 102 3.153 -3.550 3.953 807 HB ILE 102 HB ILE 102 3.895 -2.623 1.684 808 HG12 ILE 102 2HG1 ILE 102 3.594 -4.336 -0.223 809 HG13 ILE 102 1HG1 ILE 102 2.256 -4.977 0.708 810 HG21 ILE 102 1HG2 ILE 102 4.410 -5.502 2.336 811 HG22 ILE 102 2HG2 ILE 102 5.274 -4.098 2.953 812 HG23 ILE 102 3HG2 ILE 102 5.379 -4.516 1.241 813 HD11 ILE 102 3HD1 ILE 102 1.478 -3.502 -1.046 814 HD12 ILE 102 1HD1 ILE 102 2.479 -2.193 -0.413 815 HD13 ILE 102 2HD1 ILE 102 1.127 -2.806 0.538 816 HA PRO 103 HA PRO 103 0.473 -0.005 4.092 817 HB2 PRO 103 2HB PRO 103 2.941 1.581 3.747 818 HB3 PRO 103 1HB PRO 103 1.760 1.622 5.056 819 HG2 PRO 103 2HG PRO 103 4.218 0.552 5.349 820 HG3 PRO 103 1HG PRO 103 2.808 -0.045 6.230 821 HD2 PRO 103 2HD PRO 103 4.241 -1.236 3.920 822 HD3 PRO 103 1HD PRO 103 3.344 -2.017 5.234 823 H ILE 104 H ILE 104 -0.178 1.729 2.723 824 HA ILE 104 HA ILE 104 -0.107 1.197 0.006 825 HB ILE 104 HB ILE 104 -1.004 3.526 1.619 826 HG12 ILE 104 2HG1 ILE 104 -2.334 1.591 -0.265 827 HG13 ILE 104 1HG1 ILE 104 -2.412 1.638 1.491 828 HG21 ILE 104 1HG2 ILE 104 -1.832 4.723 -0.381 829 HG22 ILE 104 2HG2 ILE 104 -0.855 3.647 -1.384 830 HG23 ILE 104 3HG2 ILE 104 -0.076 4.721 -0.226 831 HD11 ILE 104 3HD1 ILE 104 -3.631 3.731 1.384 832 HD12 ILE 104 1HD1 ILE 104 -4.462 2.489 0.444 833 HD13 ILE 104 2HD1 ILE 104 -3.498 3.717 -0.374 834 H GLU 105 H GLU 105 1.904 3.400 1.811 835 HA GLU 105 HA GLU 105 3.090 4.495 -0.493 836 HB2 GLU 105 2HB GLU 105 3.998 4.497 2.344 837 HB3 GLU 105 1HB GLU 105 4.901 5.266 1.035 838 HG2 GLU 105 2HG GLU 105 2.949 6.647 0.540 839 HG3 GLU 105 1HG GLU 105 2.101 5.912 1.900 840 H GLU 106 H GLU 106 3.685 1.487 1.038 841 HA GLU 106 HA GLU 106 6.341 1.226 -0.049 842 HB2 GLU 106 2HB GLU 106 4.415 -0.847 0.975 843 HB3 GLU 106 1HB GLU 106 6.080 -1.192 0.518 844 HG2 GLU 106 2HG GLU 106 5.104 0.518 2.787 845 HG3 GLU 106 1HG GLU 106 5.997 -1.003 2.876 846 H LEU 107 H LEU 107 3.120 0.542 -0.963 847 HA LEU 107 HA LEU 107 3.680 -0.948 -3.336 848 HB2 LEU 107 2HB LEU 107 1.549 -0.945 -1.951 849 HB3 LEU 107 1HB LEU 107 1.233 0.663 -2.534 850 HG LEU 107 HG LEU 107 -0.140 -1.125 -3.574 851 HD11 LEU 107 1HD1 LEU 107 0.150 0.969 -4.729 852 HD12 LEU 107 2HD1 LEU 107 0.040 -0.376 -5.865 853 HD13 LEU 107 3HD1 LEU 107 1.605 0.352 -5.507 854 HD21 LEU 107 3HD2 LEU 107 1.521 -2.898 -3.633 855 HD22 LEU 107 1HD2 LEU 107 2.459 -2.001 -4.825 856 HD23 LEU 107 2HD2 LEU 107 0.857 -2.606 -5.239 857 H LEU 108 H LEU 108 3.335 2.401 -2.459 858 HA LEU 108 HA LEU 108 3.318 3.453 -5.140 859 HB2 LEU 108 2HB LEU 108 3.811 4.859 -2.527 860 HB3 LEU 108 1HB LEU 108 3.546 5.639 -4.066 861 HG LEU 108 HG LEU 108 1.518 3.964 -2.590 862 HD11 LEU 108 1HD1 LEU 108 0.398 6.087 -2.173 863 HD12 LEU 108 2HD1 LEU 108 1.726 6.944 -2.954 864 HD13 LEU 108 3HD1 LEU 108 2.010 6.060 -1.456 865 HD21 LEU 108 3HD2 LEU 108 -0.062 4.860 -4.246 866 HD22 LEU 108 1HD2 LEU 108 1.192 3.875 -5.005 867 HD23 LEU 108 2HD2 LEU 108 1.278 5.634 -5.092 868 H ALA 109 H ALA 109 5.742 3.380 -2.519 869 HA ALA 109 HA ALA 109 7.670 4.772 -4.067 870 HB1 ALA 109 1HB ALA 109 9.212 4.333 -2.246 871 HB2 ALA 109 2HB ALA 109 8.092 3.153 -1.561 872 HB3 ALA 109 3HB ALA 109 7.651 4.860 -1.616 873 H SER 110 H SER 110 7.209 1.386 -3.263 874 HA SER 110 HA SER 110 9.502 0.628 -4.893 875 HB2 SER 110 2HB SER 110 7.659 -1.076 -3.206 876 HB3 SER 110 1HB SER 110 9.259 -1.511 -3.810 877 HG SER 110 HG SER 110 10.121 0.125 -2.496 878 H SER 111 H SER 111 7.181 1.734 -6.251 879 HA SER 111 HA SER 111 5.324 -0.169 -7.029 880 HB2 SER 111 2HB SER 111 4.819 1.526 -8.835 881 HB3 SER 111 1HB SER 111 4.749 2.115 -7.175 882 HG SER 111 HG SER 111 6.493 2.695 -9.223 883 H LEU 112 H LEU 112 6.155 -2.007 -7.741 884 HA LEU 112 HA LEU 112 6.605 -3.568 -9.271 885 HB2 LEU 112 2HB LEU 112 6.640 -1.257 -11.179 886 HB3 LEU 112 1HB LEU 112 6.899 -2.913 -11.686 887 HG LEU 112 HG LEU 112 4.402 -2.004 -10.264 888 HD11 LEU 112 1HD1 LEU 112 4.723 -0.828 -12.413 889 HD12 LEU 112 2HD1 LEU 112 3.350 -1.923 -12.418 890 HD13 LEU 112 3HD1 LEU 112 4.852 -2.395 -13.215 891 HD21 LEU 112 3HD2 LEU 112 3.502 -4.078 -11.083 892 HD22 LEU 112 1HD2 LEU 112 4.957 -4.407 -10.159 893 HD23 LEU 112 2HD2 LEU 112 5.005 -4.453 -11.921 894 H GLU 113 H GLU 113 8.353 -4.568 -8.812 895 HA GLU 113 HA GLU 113 10.888 -3.321 -9.158 896 HB2 GLU 113 2HB GLU 113 11.587 -5.891 -8.687 897 HB3 GLU 113 1HB GLU 113 11.203 -4.760 -7.408 898 HG2 GLU 113 2HG GLU 113 10.150 -6.913 -7.001 899 HG3 GLU 113 1HG GLU 113 8.929 -5.682 -7.276 900 H HIS 114 H HIS 114 9.015 -5.769 -10.768 901 HA HIS 114 HA HIS 114 9.000 -6.595 -12.818 902 HB2 HIS 114 2HB HIS 114 10.230 -3.953 -13.416 903 HB3 HIS 114 1HB HIS 114 10.214 -5.175 -14.683 904 HD1 HIS 114 1HD HIS 114 8.432 -2.390 -14.347 905 HD2 HIS 114 2HD HIS 114 7.196 -6.352 -14.121 906 HE1 HIS 114 1HE HIS 114 6.012 -2.388 -14.944 907 HE2 HIS 114 2HE HIS 114 5.249 -4.760 -14.557 908 H HIS 115 H HIS 115 10.364 -7.171 -14.825 909 HA HIS 115 HA HIS 115 11.815 -8.636 -15.634 910 HB2 HIS 115 2HB HIS 115 13.685 -7.626 -13.447 911 HB3 HIS 115 1HB HIS 115 14.167 -8.781 -14.678 912 HD1 HIS 115 1HD HIS 115 14.835 -7.821 -16.976 913 HD2 HIS 115 2HD HIS 115 13.281 -4.954 -14.389 914 HE1 HIS 115 1HE HIS 115 15.273 -5.635 -18.064 915 HE2 HIS 115 2HE HIS 115 14.657 -3.947 -16.357 916 H HIS 116 H HIS 116 13.092 -10.723 -14.912 917 HA HIS 116 HA HIS 116 12.091 -11.594 -12.390 918 HB2 HIS 116 2HB HIS 116 11.192 -13.743 -13.222 919 HB3 HIS 116 1HB HIS 116 10.320 -12.383 -13.894 920 HD1 HIS 116 1HD HIS 116 10.461 -12.056 -16.468 921 HD2 HIS 116 2HD HIS 116 12.586 -15.316 -15.026 922 HE1 HIS 116 1HE HIS 116 11.072 -13.412 -18.483 923 HE2 HIS 116 2HE HIS 116 12.540 -15.250 -17.591 924 H HIS 117 H HIS 117 13.279 -13.159 -11.433 925 HA HIS 117 HA HIS 117 15.966 -12.954 -11.720 926 HB2 HIS 117 2HB HIS 117 16.292 -15.011 -10.355 927 HB3 HIS 117 1HB HIS 117 15.135 -13.879 -9.680 928 HD1 HIS 117 1HD HIS 117 15.549 -17.432 -10.594 929 HD2 HIS 117 2HD HIS 117 12.387 -14.790 -9.954 930 HE1 HIS 117 1HE HIS 117 13.551 -18.856 -10.166 931 HE2 HIS 117 2HE HIS 117 11.828 -17.191 -9.350 932 H HIS 118 H HIS 118 17.441 -13.454 -12.966 933 HA HIS 118 HA HIS 118 17.094 -15.004 -15.316 934 HB2 HIS 118 2HB HIS 118 19.621 -13.916 -14.046 935 HB3 HIS 118 1HB HIS 118 19.531 -14.609 -15.657 936 HD1 HIS 118 1HD HIS 118 19.172 -11.456 -13.840 937 HD2 HIS 118 2HD HIS 118 17.882 -12.995 -17.475 938 HE1 HIS 118 1HE HIS 118 18.486 -9.482 -15.204 939 HE2 HIS 118 2HE HIS 118 18.162 -10.453 -17.486 940 H HIS 119 H HIS 119 18.527 -15.530 -12.200 941 HA HIS 119 HA HIS 119 18.551 -18.382 -12.736 942 HB2 HIS 119 2HB HIS 119 20.707 -16.803 -11.278 943 HB3 HIS 119 1HB HIS 119 20.568 -18.548 -11.194 944 HD1 HIS 119 1HD HIS 119 22.740 -16.376 -12.631 945 HD2 HIS 119 2HD HIS 119 20.359 -19.340 -14.293 946 HE1 HIS 119 1HE HIS 119 23.800 -16.946 -14.829 947 HE2 HIS 119 2HE HIS 119 22.320 -18.711 -15.833 Start of MODEL 17 1 H1 MET 1 1HT MET 1 2.016 -11.494 -10.233 2 H2 MET 1 2HT MET 1 1.313 -9.954 -10.107 3 H3 MET 1 3HT MET 1 0.351 -11.264 -10.489 4 HA MET 1 HA MET 1 0.686 -12.178 -8.299 5 HB2 MET 1 2HB MET 1 3.004 -11.121 -8.055 6 HB3 MET 1 1HB MET 1 2.192 -9.598 -7.768 7 HG2 MET 1 2HG MET 1 1.150 -10.517 -5.759 8 HG3 MET 1 1HG MET 1 1.932 -12.067 -6.071 9 HE1 MET 1 2HE MET 1 2.184 -10.664 -3.267 10 HE2 MET 1 3HE MET 1 3.909 -10.844 -2.946 11 HE3 MET 1 1HE MET 1 3.005 -12.169 -3.677 12 H PHE 2 H PHE 2 -0.922 -11.680 -6.841 13 HA PHE 2 HA PHE 2 -2.684 -9.579 -7.755 14 HB2 PHE 2 2HB PHE 2 -3.050 -11.665 -5.588 15 HB3 PHE 2 1HB PHE 2 -4.290 -10.554 -6.152 16 HD1 PHE 2 1HD PHE 2 -5.144 -10.783 -8.485 17 HD2 PHE 2 2HD PHE 2 -2.600 -13.684 -6.707 18 HE1 PHE 2 1HE PHE 2 -5.827 -12.422 -10.184 19 HE2 PHE 2 2HE PHE 2 -3.273 -15.322 -8.404 20 HZ PHE 2 HZ PHE 2 -4.886 -14.694 -10.147 21 H ALA 3 H ALA 3 -3.497 -8.014 -6.343 22 HA ALA 3 HA ALA 3 -1.954 -7.559 -3.901 23 HB1 ALA 3 1HB ALA 3 -1.889 -5.151 -4.400 24 HB2 ALA 3 2HB ALA 3 -2.669 -5.450 -5.952 25 HB3 ALA 3 3HB ALA 3 -1.050 -6.081 -5.641 26 H VAL 4 H VAL 4 -3.387 -7.760 -2.366 27 HA VAL 4 HA VAL 4 -6.186 -7.167 -2.933 28 HB VAL 4 HB VAL 4 -4.980 -8.512 -0.493 29 HG11 VAL 4 1HG1 VAL 4 -7.275 -9.258 -0.026 30 HG12 VAL 4 2HG1 VAL 4 -7.848 -8.352 -1.425 31 HG13 VAL 4 3HG1 VAL 4 -7.160 -7.497 -0.046 32 HG21 VAL 4 3HG2 VAL 4 -6.342 -9.784 -2.867 33 HG22 VAL 4 1HG2 VAL 4 -5.773 -10.618 -1.428 34 HG23 VAL 4 2HG2 VAL 4 -4.614 -9.851 -2.518 35 H ILE 5 H ILE 5 -7.180 -5.515 -2.078 36 HA ILE 5 HA ILE 5 -5.614 -3.624 -0.496 37 HB ILE 5 HB ILE 5 -8.291 -3.252 -1.873 38 HG12 ILE 5 2HG1 ILE 5 -5.559 -2.364 -2.820 39 HG13 ILE 5 1HG1 ILE 5 -6.392 -3.790 -3.434 40 HG21 ILE 5 1HG2 ILE 5 -6.333 -1.238 -0.753 41 HG22 ILE 5 2HG2 ILE 5 -7.888 -1.672 -0.047 42 HG23 ILE 5 3HG2 ILE 5 -7.826 -0.852 -1.607 43 HD11 ILE 5 3HD1 ILE 5 -7.334 -0.936 -3.653 44 HD12 ILE 5 1HD1 ILE 5 -8.191 -2.354 -4.259 45 HD13 ILE 5 2HD1 ILE 5 -6.629 -1.910 -4.946 46 H SER 6 H SER 6 -6.047 -3.365 1.645 47 HA SER 6 HA SER 6 -8.361 -4.698 2.761 48 HB2 SER 6 2HB SER 6 -6.180 -3.097 4.153 49 HB3 SER 6 1HB SER 6 -7.343 -4.183 4.920 50 HG SER 6 HG SER 6 -5.786 -5.171 2.861 51 HA PRO 7 HA PRO 7 -10.958 -1.082 2.760 52 HB2 PRO 7 2HB PRO 7 -11.685 -1.742 5.571 53 HB3 PRO 7 1HB PRO 7 -12.733 -1.514 4.166 54 HG2 PRO 7 2HG PRO 7 -12.281 -3.961 5.064 55 HG3 PRO 7 1HG PRO 7 -12.277 -3.642 3.319 56 HD2 PRO 7 2HD PRO 7 -9.947 -3.963 5.184 57 HD3 PRO 7 1HD PRO 7 -10.205 -4.664 3.568 58 H SER 8 H SER 8 -8.699 -1.472 5.379 59 HA SER 8 HA SER 8 -8.843 1.144 6.394 60 HB2 SER 8 2HB SER 8 -6.493 0.548 7.251 61 HB3 SER 8 1HB SER 8 -7.836 -0.462 7.782 62 HG SER 8 HG SER 8 -7.135 -2.070 6.689 63 H ALA 9 H ALA 9 -7.532 -0.041 3.456 64 HA ALA 9 HA ALA 9 -5.662 2.179 3.179 65 HB1 ALA 9 1HB ALA 9 -4.865 -0.068 2.643 66 HB2 ALA 9 2HB ALA 9 -4.854 0.961 1.209 67 HB3 ALA 9 3HB ALA 9 -6.131 -0.234 1.430 68 H PHE 10 H PHE 10 -8.722 2.218 2.960 69 HA PHE 10 HA PHE 10 -9.258 2.808 0.213 70 HB2 PHE 10 2HB PHE 10 -10.906 3.000 2.698 71 HB3 PHE 10 1HB PHE 10 -11.466 3.677 1.179 72 HD1 PHE 10 1HD PHE 10 -9.481 0.775 0.611 73 HD2 PHE 10 2HD PHE 10 -13.363 2.072 1.755 74 HE1 PHE 10 1HE PHE 10 -10.393 -1.399 -0.038 75 HE2 PHE 10 2HE PHE 10 -14.275 -0.104 1.115 76 HZ PHE 10 HZ PHE 10 -12.811 -1.836 0.219 77 H GLY 11 H GLY 11 -10.100 4.712 -0.619 78 HA2 GLY 11 2HA GLY 11 -10.430 7.043 -0.700 79 HA3 GLY 11 1HA GLY 11 -9.424 7.213 0.735 80 H LYS 12 H LYS 12 -7.339 5.539 -0.235 81 HA LYS 12 HA LYS 12 -5.974 7.474 -1.976 82 HB2 LYS 12 2HB LYS 12 -4.902 5.087 -0.518 83 HB3 LYS 12 1HB LYS 12 -3.960 6.426 -1.163 84 HG2 LYS 12 2HG LYS 12 -5.998 6.781 1.030 85 HG3 LYS 12 1HG LYS 12 -4.322 6.391 1.374 86 HD2 LYS 12 2HD LYS 12 -4.927 8.733 -0.368 87 HD3 LYS 12 1HD LYS 12 -5.213 8.886 1.363 88 HE2 LYS 12 2HE LYS 12 -3.007 9.723 0.827 89 HE3 LYS 12 1HE LYS 12 -2.853 8.247 1.763 90 HZ1 LYS 12 3HZ LYS 12 -2.595 8.467 -1.174 91 HZ2 LYS 12 1HZ LYS 12 -2.332 7.050 -0.276 92 HZ3 LYS 12 2HZ LYS 12 -1.304 8.379 -0.103 93 H LEU 13 H LEU 13 -7.942 5.244 -2.638 94 HA LEU 13 HA LEU 13 -6.682 3.068 -3.883 95 HB2 LEU 13 2HB LEU 13 -9.398 4.230 -4.479 96 HB3 LEU 13 1HB LEU 13 -8.842 2.640 -4.954 97 HG LEU 13 HG LEU 13 -9.293 3.585 -2.118 98 HD11 LEU 13 1HD1 LEU 13 -11.113 1.964 -2.104 99 HD12 LEU 13 2HD1 LEU 13 -10.811 1.610 -3.806 100 HD13 LEU 13 3HD1 LEU 13 -11.365 3.212 -3.323 101 HD21 LEU 13 3HD2 LEU 13 -8.420 0.898 -3.170 102 HD22 LEU 13 1HD2 LEU 13 -8.882 1.240 -1.502 103 HD23 LEU 13 2HD2 LEU 13 -7.456 2.008 -2.188 104 H LYS 14 H LYS 14 -7.690 6.176 -5.167 105 HA LYS 14 HA LYS 14 -7.305 5.664 -7.908 106 HB2 LYS 14 2HB LYS 14 -6.926 8.268 -6.430 107 HB3 LYS 14 1HB LYS 14 -7.091 8.102 -8.165 108 HG2 LYS 14 2HG LYS 14 -9.383 7.258 -7.841 109 HG3 LYS 14 1HG LYS 14 -9.199 7.493 -6.096 110 HD2 LYS 14 2HD LYS 14 -8.744 9.884 -6.495 111 HD3 LYS 14 1HD LYS 14 -9.010 9.630 -8.216 112 HE2 LYS 14 2HE LYS 14 -11.039 9.209 -6.028 113 HE3 LYS 14 1HE LYS 14 -10.967 10.595 -7.111 114 HZ1 LYS 14 3HZ LYS 14 -11.281 8.904 -8.973 115 HZ2 LYS 14 1HZ LYS 14 -12.596 9.144 -7.934 116 HZ3 LYS 14 2HZ LYS 14 -11.670 7.794 -7.737 117 H GLU 15 H GLU 15 -5.100 6.585 -5.366 118 HA GLU 15 HA GLU 15 -2.947 7.262 -7.106 119 HB2 GLU 15 2HB GLU 15 -2.966 6.756 -4.134 120 HB3 GLU 15 1HB GLU 15 -1.605 7.395 -5.041 121 HG2 GLU 15 2HG GLU 15 -2.948 9.351 -5.654 122 HG3 GLU 15 1HG GLU 15 -4.295 8.702 -4.718 123 H ILE 16 H ILE 16 -3.501 4.559 -4.841 124 HA ILE 16 HA ILE 16 -1.109 3.237 -5.443 125 HB ILE 16 HB ILE 16 -2.140 1.166 -4.497 126 HG12 ILE 16 2HG1 ILE 16 -4.572 2.926 -4.109 127 HG13 ILE 16 1HG1 ILE 16 -4.470 1.571 -5.226 128 HG21 ILE 16 1HG2 ILE 16 -2.358 2.054 -2.233 129 HG22 ILE 16 2HG2 ILE 16 -2.461 3.682 -2.905 130 HG23 ILE 16 3HG2 ILE 16 -0.978 2.745 -3.094 131 HD11 ILE 16 3HD1 ILE 16 -4.276 1.409 -2.223 132 HD12 ILE 16 1HD1 ILE 16 -4.167 0.049 -3.339 133 HD13 ILE 16 2HD1 ILE 16 -5.671 0.957 -3.204 134 H LEU 17 H LEU 17 -4.236 2.922 -6.924 135 HA LEU 17 HA LEU 17 -3.558 0.673 -8.487 136 HB2 LEU 17 2HB LEU 17 -5.810 1.191 -7.790 137 HB3 LEU 17 1HB LEU 17 -5.771 2.690 -8.676 138 HG LEU 17 HG LEU 17 -5.841 1.514 -10.786 139 HD11 LEU 17 1HD1 LEU 17 -5.795 -1.018 -9.125 140 HD12 LEU 17 2HD1 LEU 17 -4.489 -0.459 -10.169 141 HD13 LEU 17 3HD1 LEU 17 -6.040 -0.926 -10.867 142 HD21 LEU 17 3HD2 LEU 17 -8.019 0.323 -10.421 143 HD22 LEU 17 1HD2 LEU 17 -7.934 1.975 -9.776 144 HD23 LEU 17 2HD2 LEU 17 -7.765 0.593 -8.705 145 H GLY 18 H GLY 18 -3.938 4.140 -9.264 146 HA2 GLY 18 2HA GLY 18 -3.183 3.732 -11.980 147 HA3 GLY 18 1HA GLY 18 -3.434 5.282 -11.193 148 H SER 19 H SER 19 -1.374 4.644 -9.116 149 HA SER 19 HA SER 19 0.814 5.584 -10.742 150 HB2 SER 19 2HB SER 19 0.705 5.179 -7.750 151 HB3 SER 19 1HB SER 19 1.986 6.010 -8.634 152 HG SER 19 HG SER 19 -0.728 6.767 -8.767 153 H ASN 20 H ASN 20 0.087 2.642 -8.887 154 HA ASN 20 HA ASN 20 2.814 1.749 -9.391 155 HB2 ASN 20 2HB ASN 20 1.862 1.384 -7.146 156 HB3 ASN 20 1HB ASN 20 0.637 0.338 -7.850 157 HD21 ASN 20 1HD2 ASN 20 1.255 -1.503 -6.802 158 HD22 ASN 20 2HD2 ASN 20 2.750 -2.317 -7.101 159 H LYS 21 H LYS 21 -0.474 0.402 -9.901 160 HA LYS 21 HA LYS 21 -1.212 -1.261 -11.243 161 HB2 LYS 21 2HB LYS 21 0.896 -0.122 -13.116 162 HB3 LYS 21 1HB LYS 21 -0.383 -1.220 -13.608 163 HG2 LYS 21 2HG LYS 21 -2.055 0.433 -12.962 164 HG3 LYS 21 1HG LYS 21 -0.768 1.535 -12.477 165 HD2 LYS 21 2HD LYS 21 0.081 1.539 -14.759 166 HD3 LYS 21 1HD LYS 21 -1.213 0.441 -15.245 167 HE2 LYS 21 2HE LYS 21 -2.872 2.113 -14.582 168 HE3 LYS 21 1HE LYS 21 -1.578 3.207 -14.105 169 HZ1 LYS 21 3HZ LYS 21 -0.820 3.238 -16.399 170 HZ2 LYS 21 1HZ LYS 21 -2.420 3.732 -16.273 171 HZ3 LYS 21 2HZ LYS 21 -2.080 2.190 -16.842 172 H ASN 22 H ASN 22 0.416 -2.766 -13.208 173 HA ASN 22 HA ASN 22 1.828 -4.518 -13.464 174 HB2 ASN 22 2HB ASN 22 3.564 -2.982 -12.578 175 HB3 ASN 22 1HB ASN 22 3.198 -3.527 -10.948 176 HD21 ASN 22 1HD2 ASN 22 5.233 -4.301 -10.552 177 HD22 ASN 22 2HD2 ASN 22 5.899 -5.685 -11.340 178 H TYR 23 H TYR 23 0.002 -4.203 -10.693 179 HA TYR 23 HA TYR 23 0.187 -7.079 -10.112 180 HB2 TYR 23 2HB TYR 23 -0.591 -4.752 -8.355 181 HB3 TYR 23 1HB TYR 23 -0.935 -6.420 -7.931 182 HD1 TYR 23 1HD TYR 23 1.708 -3.892 -8.334 183 HD2 TYR 23 2HD TYR 23 0.811 -7.881 -7.185 184 HE1 TYR 23 1HE TYR 23 3.915 -4.077 -7.257 185 HE2 TYR 23 2HE TYR 23 3.004 -8.078 -6.113 186 HH TYR 23 HH TYR 23 4.984 -5.471 -5.431 187 H LYS 24 H LYS 24 -1.812 -8.096 -9.594 188 HA LYS 24 HA LYS 24 -4.079 -6.868 -10.954 189 HB2 LYS 24 2HB LYS 24 -3.453 -9.193 -11.595 190 HB3 LYS 24 1HB LYS 24 -3.714 -9.699 -9.932 191 HG2 LYS 24 2HG LYS 24 -5.595 -10.318 -11.342 192 HG3 LYS 24 1HG LYS 24 -6.084 -9.135 -10.128 193 HD2 LYS 24 2HD LYS 24 -6.033 -7.361 -11.762 194 HD3 LYS 24 1HD LYS 24 -5.367 -8.449 -12.981 195 HE2 LYS 24 2HE LYS 24 -8.074 -8.692 -11.678 196 HE3 LYS 24 1HE LYS 24 -7.768 -8.071 -13.296 197 HZ1 LYS 24 3HZ LYS 24 -7.204 -10.864 -12.385 198 HZ2 LYS 24 1HZ LYS 24 -6.852 -10.216 -13.902 199 HZ3 LYS 24 2HZ LYS 24 -8.443 -10.369 -13.411 200 H PHE 25 H PHE 25 -5.064 -5.586 -9.599 201 HA PHE 25 HA PHE 25 -4.900 -5.947 -6.779 202 HB2 PHE 25 2HB PHE 25 -6.309 -3.929 -8.491 203 HB3 PHE 25 1HB PHE 25 -6.300 -3.872 -6.720 204 HD1 PHE 25 1HD PHE 25 -4.108 -3.774 -9.723 205 HD2 PHE 25 2HD PHE 25 -4.508 -2.848 -5.591 206 HE1 PHE 25 1HE PHE 25 -2.015 -2.498 -9.815 207 HE2 PHE 25 2HE PHE 25 -2.410 -1.566 -5.678 208 HZ PHE 25 HZ PHE 25 -1.159 -1.388 -7.790 209 H VAL 26 H VAL 26 -6.402 -6.565 -5.386 210 HA VAL 26 HA VAL 26 -8.979 -7.517 -6.419 211 HB VAL 26 HB VAL 26 -7.227 -8.947 -4.401 212 HG11 VAL 26 1HG1 VAL 26 -8.838 -10.796 -4.578 213 HG12 VAL 26 2HG1 VAL 26 -9.836 -9.808 -5.644 214 HG13 VAL 26 3HG1 VAL 26 -9.584 -9.318 -3.968 215 HG21 VAL 26 3HG2 VAL 26 -6.265 -9.163 -6.622 216 HG22 VAL 26 1HG2 VAL 26 -7.815 -9.710 -7.259 217 HG23 VAL 26 2HG2 VAL 26 -6.939 -10.708 -6.099 218 H ILE 27 H ILE 27 -10.666 -7.120 -5.106 219 HA ILE 27 HA ILE 27 -10.166 -6.019 -2.444 220 HB ILE 27 HB ILE 27 -10.788 -4.206 -4.071 221 HG12 ILE 27 2HG1 ILE 27 -12.660 -3.221 -2.773 222 HG13 ILE 27 1HG1 ILE 27 -12.912 -4.778 -1.993 223 HG21 ILE 27 1HG2 ILE 27 -13.042 -4.101 -5.010 224 HG22 ILE 27 2HG2 ILE 27 -13.378 -5.700 -4.355 225 HG23 ILE 27 3HG2 ILE 27 -12.149 -5.506 -5.602 226 HD11 ILE 27 3HD1 ILE 27 -10.453 -3.059 -1.792 227 HD12 ILE 27 1HD1 ILE 27 -10.660 -4.635 -1.026 228 HD13 ILE 27 2HD1 ILE 27 -11.684 -3.291 -0.550 229 H THR 28 H THR 28 -12.093 -6.399 -0.996 230 HA THR 28 HA THR 28 -13.265 -8.976 -1.641 231 HB THR 28 HB THR 28 -13.826 -8.990 0.805 232 HG1 THR 28 1HG THR 28 -12.272 -7.227 1.798 233 HG21 THR 28 3HG2 THR 28 -11.513 -9.311 1.565 234 HG22 THR 28 1HG2 THR 28 -10.924 -8.478 0.126 235 HG23 THR 28 2HG2 THR 28 -11.760 -10.021 -0.031 236 H THR 29 H THR 29 -15.635 -9.277 -0.786 237 HA THR 29 HA THR 29 -17.288 -7.400 -2.020 238 HB THR 29 HB THR 29 -19.071 -8.839 -0.848 239 HG1 THR 29 1HG THR 29 -18.257 -10.736 0.069 240 HG21 THR 29 3HG2 THR 29 -17.010 -10.197 -2.608 241 HG22 THR 29 1HG2 THR 29 -18.340 -9.196 -3.189 242 HG23 THR 29 2HG2 THR 29 -18.674 -10.727 -2.381 243 H LEU 30 H LEU 30 -16.459 -8.145 1.318 244 HA LEU 30 HA LEU 30 -18.129 -6.193 2.491 245 HB2 LEU 30 2HB LEU 30 -15.531 -7.331 3.517 246 HB3 LEU 30 1HB LEU 30 -16.648 -6.366 4.454 247 HG LEU 30 HG LEU 30 -17.179 -9.124 3.349 248 HD11 LEU 30 1HD1 LEU 30 -16.773 -8.119 6.157 249 HD12 LEU 30 2HD1 LEU 30 -15.657 -9.127 5.230 250 HD13 LEU 30 3HD1 LEU 30 -17.229 -9.762 5.709 251 HD21 LEU 30 3HD2 LEU 30 -19.278 -9.005 4.622 252 HD22 LEU 30 1HD2 LEU 30 -19.223 -7.785 3.350 253 HD23 LEU 30 2HD2 LEU 30 -18.931 -7.323 5.026 254 H GLY 31 H GLY 31 -14.939 -6.112 1.079 255 HA2 GLY 31 2HA GLY 31 -14.145 -3.552 1.886 256 HA3 GLY 31 1HA GLY 31 -13.612 -4.394 0.432 257 H VAL 32 H VAL 32 -15.714 -4.578 -1.166 258 HA VAL 32 HA VAL 32 -16.053 -1.925 -2.039 259 HB VAL 32 HB VAL 32 -17.608 -2.710 -3.756 260 HG11 VAL 32 1HG1 VAL 32 -15.267 -3.043 -4.190 261 HG12 VAL 32 2HG1 VAL 32 -16.210 -4.358 -4.888 262 HG13 VAL 32 3HG1 VAL 32 -15.319 -4.612 -3.390 263 HG21 VAL 32 3HG2 VAL 32 -18.282 -5.084 -3.920 264 HG22 VAL 32 1HG2 VAL 32 -18.950 -4.289 -2.492 265 HG23 VAL 32 2HG2 VAL 32 -17.567 -5.367 -2.331 266 H SER 33 H SER 33 -18.076 -3.962 -0.059 267 HA SER 33 HA SER 33 -20.355 -2.305 -0.082 268 HB2 SER 33 2HB SER 33 -20.251 -4.738 0.624 269 HB3 SER 33 1HB SER 33 -19.476 -4.199 2.110 270 HG SER 33 HG SER 33 -22.074 -3.881 1.199 271 H PHE 34 H PHE 34 -17.470 -2.482 1.976 272 HA PHE 34 HA PHE 34 -18.212 -0.581 3.891 273 HB2 PHE 34 2HB PHE 34 -16.297 -2.129 4.160 274 HB3 PHE 34 1HB PHE 34 -15.440 -1.283 2.883 275 HD1 PHE 34 2HD PHE 34 -16.845 -0.890 6.282 276 HD2 PHE 34 1HD PHE 34 -14.147 0.627 3.366 277 HE1 PHE 34 2HE PHE 34 -15.889 0.622 7.958 278 HE2 PHE 34 1HE PHE 34 -13.182 2.145 5.038 279 HZ PHE 34 HZ PHE 34 -14.052 2.148 7.339 280 H ALA 35 H ALA 35 -16.598 -0.315 0.788 281 HA ALA 35 HA ALA 35 -16.107 2.460 0.871 282 HB1 ALA 35 1HB ALA 35 -15.839 2.315 -1.545 283 HB2 ALA 35 2HB ALA 35 -16.580 0.715 -1.545 284 HB3 ALA 35 3HB ALA 35 -15.023 0.967 -0.752 285 H ILE 36 H ILE 36 -18.850 0.574 -0.316 286 HA ILE 36 HA ILE 36 -20.366 2.699 -1.347 287 HB ILE 36 HB ILE 36 -21.378 0.116 -0.108 288 HG12 ILE 36 2HG1 ILE 36 -19.955 -0.288 -2.055 289 HG13 ILE 36 1HG1 ILE 36 -21.628 -0.677 -2.427 290 HG21 ILE 36 1HG2 ILE 36 -22.882 2.076 -1.838 291 HG22 ILE 36 2HG2 ILE 36 -23.165 1.759 -0.126 292 HG23 ILE 36 3HG2 ILE 36 -23.479 0.499 -1.320 293 HD11 ILE 36 3HD1 ILE 36 -20.566 0.439 -4.290 294 HD12 ILE 36 1HD1 ILE 36 -20.151 1.815 -3.267 295 HD13 ILE 36 2HD1 ILE 36 -21.839 1.455 -3.619 296 H LYS 37 H LYS 37 -20.555 1.216 1.895 297 HA LYS 37 HA LYS 37 -22.500 3.077 2.791 298 HB2 LYS 37 2HB LYS 37 -22.091 2.224 5.075 299 HB3 LYS 37 1HB LYS 37 -22.384 0.959 3.895 300 HG2 LYS 37 2HG LYS 37 -20.105 0.338 3.867 301 HG3 LYS 37 1HG LYS 37 -19.635 1.760 4.788 302 HD2 LYS 37 2HD LYS 37 -19.574 -0.152 6.255 303 HD3 LYS 37 1HD LYS 37 -20.918 0.866 6.727 304 HE2 LYS 37 2HE LYS 37 -21.180 -1.635 5.038 305 HE3 LYS 37 1HE LYS 37 -21.359 -1.609 6.780 306 HZ1 LYS 37 3HZ LYS 37 -23.275 -0.023 6.433 307 HZ2 LYS 37 1HZ LYS 37 -23.507 -1.562 5.789 308 HZ3 LYS 37 2HZ LYS 37 -23.127 -0.318 4.766 309 H SER 38 H SER 38 -19.079 3.306 2.645 310 HA SER 38 HA SER 38 -19.076 5.522 4.523 311 HB2 SER 38 2HB SER 38 -16.802 4.309 2.957 312 HB3 SER 38 1HB SER 38 -16.654 5.474 4.275 313 HG SER 38 HG SER 38 -17.413 2.783 4.304 314 H GLY 39 H GLY 39 -19.615 5.087 1.235 315 HA2 GLY 39 2HA GLY 39 -19.906 6.603 -0.465 316 HA3 GLY 39 1HA GLY 39 -19.589 7.887 0.698 317 H ILE 40 H ILE 40 -17.491 5.218 -0.143 318 HA ILE 40 HA ILE 40 -15.424 7.159 -0.932 319 HB ILE 40 HB ILE 40 -15.107 4.254 -0.071 320 HG12 ILE 40 2HG1 ILE 40 -14.447 6.793 1.432 321 HG13 ILE 40 1HG1 ILE 40 -15.833 5.764 1.757 322 HG21 ILE 40 1HG2 ILE 40 -13.010 6.371 -0.593 323 HG22 ILE 40 2HG2 ILE 40 -13.336 4.964 -1.607 324 HG23 ILE 40 3HG2 ILE 40 -12.701 4.748 0.024 325 HD11 ILE 40 3HD1 ILE 40 -12.932 4.995 2.053 326 HD12 ILE 40 1HD1 ILE 40 -14.310 3.940 2.368 327 HD13 ILE 40 2HD1 ILE 40 -14.053 5.375 3.361 328 H ASP 41 H ASP 41 -14.457 6.993 -2.912 329 HA ASP 41 HA ASP 41 -15.840 5.760 -5.020 330 HB2 ASP 41 2HB ASP 41 -14.630 7.694 -5.559 331 HB3 ASP 41 1HB ASP 41 -13.149 7.068 -4.845 332 H ILE 42 H ILE 42 -15.996 3.724 -5.191 333 HA ILE 42 HA ILE 42 -13.565 2.069 -5.110 334 HB ILE 42 HB ILE 42 -15.379 1.455 -3.503 335 HG12 ILE 42 2HG1 ILE 42 -15.575 -0.960 -4.097 336 HG13 ILE 42 1HG1 ILE 42 -14.867 -0.597 -5.669 337 HG21 ILE 42 1HG2 ILE 42 -17.020 0.924 -5.959 338 HG22 ILE 42 2HG2 ILE 42 -17.304 2.162 -4.741 339 HG23 ILE 42 3HG2 ILE 42 -17.472 0.453 -4.316 340 HD11 ILE 42 3HD1 ILE 42 -12.816 0.158 -4.546 341 HD12 ILE 42 1HD1 ILE 42 -13.214 -1.513 -4.146 342 HD13 ILE 42 2HD1 ILE 42 -13.548 -0.227 -2.988 343 H ASP 43 H ASP 43 -15.692 3.607 -7.104 344 HA ASP 43 HA ASP 43 -16.260 1.675 -9.116 345 HB2 ASP 43 2HB ASP 43 -16.163 4.677 -9.456 346 HB3 ASP 43 1HB ASP 43 -16.973 3.532 -10.510 347 H SER 44 H SER 44 -13.902 4.303 -8.858 348 HA SER 44 HA SER 44 -12.682 3.936 -11.361 349 HB2 SER 44 2HB SER 44 -11.298 4.940 -8.879 350 HB3 SER 44 1HB SER 44 -10.966 5.378 -10.556 351 HG SER 44 HG SER 44 -12.878 6.205 -8.805 352 H ALA 45 H ALA 45 -12.346 2.279 -8.362 353 HA ALA 45 HA ALA 45 -9.837 1.053 -8.839 354 HB1 ALA 45 1HB ALA 45 -10.466 -0.426 -6.961 355 HB2 ALA 45 2HB ALA 45 -12.100 0.234 -7.008 356 HB3 ALA 45 3HB ALA 45 -10.744 1.273 -6.577 357 H LEU 46 H LEU 46 -13.155 -0.170 -8.954 358 HA LEU 46 HA LEU 46 -12.631 -2.683 -10.079 359 HB2 LEU 46 2HB LEU 46 -15.078 -0.942 -10.385 360 HB3 LEU 46 1HB LEU 46 -15.014 -2.661 -10.702 361 HG LEU 46 HG LEU 46 -14.602 -1.381 -7.991 362 HD11 LEU 46 1HD1 LEU 46 -16.797 -2.300 -7.438 363 HD12 LEU 46 2HD1 LEU 46 -16.990 -2.833 -9.108 364 HD13 LEU 46 3HD1 LEU 46 -16.877 -1.111 -8.736 365 HD21 LEU 46 3HD2 LEU 46 -14.886 -4.285 -8.782 366 HD22 LEU 46 1HD2 LEU 46 -14.810 -3.673 -7.131 367 HD23 LEU 46 2HD2 LEU 46 -13.417 -3.503 -8.198 368 H ASP 47 H ASP 47 -13.321 0.404 -11.500 369 HA ASP 47 HA ASP 47 -13.492 -0.141 -14.209 370 HB2 ASP 47 2HB ASP 47 -14.092 1.998 -13.431 371 HB3 ASP 47 1HB ASP 47 -12.529 2.239 -12.664 372 H ARG 48 H ARG 48 -10.584 0.584 -12.314 373 HA ARG 48 HA ARG 48 -8.991 0.318 -14.720 374 HB2 ARG 48 2HB ARG 48 -8.381 1.343 -11.996 375 HB3 ARG 48 1HB ARG 48 -7.103 1.054 -13.175 376 HG2 ARG 48 2HG ARG 48 -7.925 2.725 -14.593 377 HG3 ARG 48 1HG ARG 48 -9.486 2.773 -13.764 378 HD2 ARG 48 2HD ARG 48 -8.470 3.701 -11.800 379 HD3 ARG 48 1HD ARG 48 -6.868 3.509 -12.484 380 HE ARG 48 HE ARG 48 -7.094 5.442 -13.514 381 HH11 ARG 48 1HH1 ARG 48 -10.475 4.301 -13.226 382 HH12 ARG 48 2HH1 ARG 48 -11.161 5.829 -13.434 383 HH21 ARG 48 1HH2 ARG 48 -8.095 7.558 -13.857 384 HH22 ARG 48 2HH2 ARG 48 -9.790 7.712 -13.824 385 H GLY 49 H GLY 49 -10.044 -1.932 -12.613 386 HA2 GLY 49 2HA GLY 49 -9.188 -4.129 -13.510 387 HA3 GLY 49 1HA GLY 49 -7.593 -3.499 -13.173 388 H VAL 50 H VAL 50 -9.649 -2.600 -10.673 389 HA VAL 50 HA VAL 50 -8.575 -4.698 -9.010 390 HB VAL 50 HB VAL 50 -10.570 -2.510 -8.292 391 HG11 VAL 50 1HG1 VAL 50 -8.939 -4.318 -6.506 392 HG12 VAL 50 2HG1 VAL 50 -10.679 -4.403 -6.763 393 HG13 VAL 50 3HG1 VAL 50 -9.975 -2.996 -5.966 394 HG21 VAL 50 3HG2 VAL 50 -8.685 -1.351 -7.256 395 HG22 VAL 50 1HG2 VAL 50 -8.421 -1.584 -8.980 396 HG23 VAL 50 2HG2 VAL 50 -7.592 -2.608 -7.805 397 H ILE 51 H ILE 51 -9.511 -6.578 -8.760 398 HA ILE 51 HA ILE 51 -12.312 -6.874 -9.587 399 HB ILE 51 HB ILE 51 -11.847 -9.305 -9.751 400 HG12 ILE 51 2HG1 ILE 51 -8.953 -8.516 -9.272 401 HG13 ILE 51 1HG1 ILE 51 -9.969 -9.351 -8.109 402 HG21 ILE 51 1HG2 ILE 51 -10.484 -9.181 -11.795 403 HG22 ILE 51 2HG2 ILE 51 -10.045 -7.523 -11.377 404 HG23 ILE 51 3HG2 ILE 51 -11.724 -7.928 -11.727 405 HD11 ILE 51 3HD1 ILE 51 -9.163 -10.412 -10.808 406 HD12 ILE 51 1HD1 ILE 51 -10.128 -11.259 -9.603 407 HD13 ILE 51 2HD1 ILE 51 -8.442 -10.870 -9.266 408 H VAL 52 H VAL 52 -13.728 -8.119 -8.344 409 HA VAL 52 HA VAL 52 -13.038 -7.984 -5.524 410 HB VAL 52 HB VAL 52 -15.058 -6.769 -6.181 411 HG11 VAL 52 1HG1 VAL 52 -17.087 -7.918 -6.898 412 HG12 VAL 52 2HG1 VAL 52 -16.178 -9.428 -7.014 413 HG13 VAL 52 3HG1 VAL 52 -15.778 -8.075 -8.069 414 HG21 VAL 52 3HG2 VAL 52 -15.677 -9.170 -4.471 415 HG22 VAL 52 1HG2 VAL 52 -16.630 -7.687 -4.535 416 HG23 VAL 52 2HG2 VAL 52 -14.973 -7.647 -3.928 417 H ARG 53 H ARG 53 -12.705 -9.695 -4.313 418 HA ARG 53 HA ARG 53 -13.927 -12.257 -4.912 419 HB2 ARG 53 2HB ARG 53 -11.643 -12.152 -6.084 420 HB3 ARG 53 1HB ARG 53 -10.945 -12.083 -4.472 421 HG2 ARG 53 2HG ARG 53 -12.099 -14.230 -3.956 422 HG3 ARG 53 1HG ARG 53 -12.581 -14.314 -5.651 423 HD2 ARG 53 2HD ARG 53 -10.111 -14.008 -6.161 424 HD3 ARG 53 1HD ARG 53 -9.825 -14.429 -4.473 425 HE ARG 53 HE ARG 53 -11.192 -16.150 -6.416 426 HH11 ARG 53 1HH1 ARG 53 -9.331 -15.934 -3.446 427 HH12 ARG 53 2HH1 ARG 53 -8.678 -17.517 -3.564 428 HH21 ARG 53 1HH2 ARG 53 -10.342 -18.348 -6.533 429 HH22 ARG 53 2HH2 ARG 53 -9.283 -18.913 -5.327 430 H ALA 54 H ALA 54 -14.553 -13.105 -3.011 431 HA ALA 54 HA ALA 54 -13.081 -12.652 -0.612 432 HB1 ALA 54 1HB ALA 54 -15.853 -11.527 -0.864 433 HB2 ALA 54 2HB ALA 54 -14.336 -10.620 -0.687 434 HB3 ALA 54 3HB ALA 54 -14.910 -11.644 0.626 435 H PHE 55 H PHE 55 -13.956 -13.841 1.172 436 HA PHE 55 HA PHE 55 -15.086 -16.347 0.293 437 HB2 PHE 55 2HB PHE 55 -14.110 -15.313 2.929 438 HB3 PHE 55 1HB PHE 55 -14.846 -16.890 2.725 439 HD1 PHE 55 2HD PHE 55 -11.945 -14.797 1.825 440 HD2 PHE 55 1HD PHE 55 -13.630 -18.685 1.973 441 HE1 PHE 55 2HE PHE 55 -9.742 -15.742 1.390 442 HE2 PHE 55 1HE PHE 55 -11.484 -19.677 1.561 443 HZ PHE 55 HZ PHE 55 -9.470 -18.217 1.243 444 H SER 56 H SER 56 -17.131 -16.926 0.663 445 HA SER 56 HA SER 56 -18.864 -15.148 2.176 446 HB2 SER 56 2HB SER 56 -19.675 -16.064 0.011 447 HB3 SER 56 1HB SER 56 -19.454 -17.700 0.630 448 HG SER 56 HG SER 56 -21.570 -16.226 0.788 449 H HIS 57 H HIS 57 -17.260 -18.206 2.228 450 HA HIS 57 HA HIS 57 -18.084 -18.656 5.001 451 HB2 HIS 57 2HB HIS 57 -19.258 -20.300 3.705 452 HB3 HIS 57 1HB HIS 57 -17.836 -20.649 2.739 453 HD1 HIS 57 1HD HIS 57 -19.665 -21.760 5.707 454 HD2 HIS 57 2HD HIS 57 -15.802 -22.171 4.219 455 HE1 HIS 57 1HE HIS 57 -18.680 -23.719 6.932 456 HE2 HIS 57 2HE HIS 57 -16.348 -23.970 6.011 457 H LYS 58 H LYS 58 -16.208 -17.840 5.866 458 HA LYS 58 HA LYS 58 -14.161 -19.829 5.772 459 HB2 LYS 58 2HB LYS 58 -12.379 -18.021 6.220 460 HB3 LYS 58 1HB LYS 58 -12.932 -18.204 4.572 461 HG2 LYS 58 2HG LYS 58 -12.654 -15.878 5.070 462 HG3 LYS 58 1HG LYS 58 -14.363 -16.235 4.871 463 HD2 LYS 58 2HD LYS 58 -14.622 -16.240 7.311 464 HD3 LYS 58 1HD LYS 58 -12.908 -15.838 7.479 465 HE2 LYS 58 2HE LYS 58 -14.423 -13.876 7.616 466 HE3 LYS 58 1HE LYS 58 -13.211 -13.771 6.335 467 HZ1 LYS 58 3HZ LYS 58 -16.091 -14.494 5.941 468 HZ2 LYS 58 1HZ LYS 58 -14.887 -14.483 4.747 469 HZ3 LYS 58 2HZ LYS 58 -15.277 -13.076 5.439 470 HA PRO 59 HA PRO 59 -14.849 -19.530 10.120 471 HB2 PRO 59 2HB PRO 59 -12.016 -20.247 10.516 472 HB3 PRO 59 1HB PRO 59 -13.452 -21.140 11.035 473 HG2 PRO 59 2HG PRO 59 -11.882 -22.050 9.061 474 HG3 PRO 59 1HG PRO 59 -13.644 -22.246 9.013 475 HD2 PRO 59 2HD PRO 59 -11.926 -20.255 7.590 476 HD3 PRO 59 1HD PRO 59 -13.322 -21.184 6.994 477 HA PRO 60 HA PRO 60 -12.717 -15.607 10.288 478 HB2 PRO 60 2HB PRO 60 -14.398 -14.348 12.007 479 HB3 PRO 60 1HB PRO 60 -14.742 -14.570 10.291 480 HG2 PRO 60 2HG PRO 60 -15.966 -15.877 12.614 481 HG3 PRO 60 1HG PRO 60 -16.558 -15.777 10.951 482 HD2 PRO 60 2HD PRO 60 -15.220 -17.977 12.259 483 HD3 PRO 60 1HD PRO 60 -15.880 -17.895 10.613 484 H LYS 61 H LYS 61 -10.979 -15.211 11.386 485 HA LYS 61 HA LYS 61 -10.980 -15.556 14.292 486 HB2 LYS 61 2HB LYS 61 -8.629 -15.488 12.380 487 HB3 LYS 61 1HB LYS 61 -8.546 -15.683 14.122 488 HG2 LYS 61 2HG LYS 61 -9.705 -17.837 13.935 489 HG3 LYS 61 1HG LYS 61 -9.776 -17.639 12.187 490 HD2 LYS 61 2HD LYS 61 -7.925 -19.101 12.799 491 HD3 LYS 61 1HD LYS 61 -7.317 -17.602 12.098 492 HE2 LYS 61 2HE LYS 61 -6.836 -16.742 14.341 493 HE3 LYS 61 1HE LYS 61 -7.502 -18.212 15.051 494 HZ1 LYS 61 3HZ LYS 61 -5.096 -18.032 13.324 495 HZ2 LYS 61 1HZ LYS 61 -5.727 -19.461 13.963 496 HZ3 LYS 61 2HZ LYS 61 -5.121 -18.265 14.991 497 H VAL 62 H VAL 62 -11.419 -13.556 15.100 498 HA VAL 62 HA VAL 62 -9.796 -11.392 14.058 499 HB VAL 62 HB VAL 62 -11.652 -9.772 14.288 500 HG11 VAL 62 1HG1 VAL 62 -12.187 -11.972 12.292 501 HG12 VAL 62 2HG1 VAL 62 -11.117 -10.586 12.073 502 HG13 VAL 62 3HG1 VAL 62 -12.859 -10.341 12.214 503 HG21 VAL 62 3HG2 VAL 62 -13.110 -10.995 15.801 504 HG22 VAL 62 1HG2 VAL 62 -13.422 -12.202 14.551 505 HG23 VAL 62 2HG2 VAL 62 -13.987 -10.546 14.334 506 H GLY 63 H GLY 63 -8.895 -10.171 15.534 507 HA2 GLY 63 2HA GLY 63 -9.812 -10.504 18.308 508 HA3 GLY 63 1HA GLY 63 -8.113 -10.374 17.858 509 H ASN 64 H ASN 64 -7.543 -8.381 16.622 510 HA ASN 64 HA ASN 64 -8.732 -6.082 18.001 511 HB2 ASN 64 2HB ASN 64 -6.205 -6.641 17.888 512 HB3 ASN 64 1HB ASN 64 -6.281 -6.113 16.220 513 HD21 ASN 64 1HD2 ASN 64 -8.157 -3.888 16.897 514 HD22 ASN 64 2HD2 ASN 64 -7.214 -2.717 17.725 515 H LEU 65 H LEU 65 -8.870 -7.720 15.077 516 HA LEU 65 HA LEU 65 -9.480 -5.332 13.502 517 HB2 LEU 65 2HB LEU 65 -8.756 -8.119 12.673 518 HB3 LEU 65 1HB LEU 65 -9.161 -6.823 11.566 519 HG LEU 65 HG LEU 65 -6.808 -6.823 13.441 520 HD11 LEU 65 1HD1 LEU 65 -6.578 -8.472 11.683 521 HD12 LEU 65 2HD1 LEU 65 -5.480 -7.124 11.428 522 HD13 LEU 65 3HD1 LEU 65 -6.958 -7.257 10.465 523 HD21 LEU 65 3HD2 LEU 65 -6.123 -4.857 12.087 524 HD22 LEU 65 1HD2 LEU 65 -7.598 -4.583 13.021 525 HD23 LEU 65 2HD2 LEU 65 -7.695 -4.912 11.296 526 HA PRO 66 HA PRO 66 -13.674 -6.984 13.066 527 HB2 PRO 66 2HB PRO 66 -13.999 -5.294 10.717 528 HB3 PRO 66 1HB PRO 66 -14.737 -5.110 12.310 529 HG2 PRO 66 2HG PRO 66 -12.884 -3.378 11.328 530 HG3 PRO 66 1HG PRO 66 -13.110 -3.694 13.055 531 HD2 PRO 66 2HD PRO 66 -11.044 -4.782 11.185 532 HD3 PRO 66 1HD PRO 66 -10.884 -4.204 12.861 533 H GLN 67 H GLN 67 -14.970 -7.991 11.171 534 HA GLN 67 HA GLN 67 -13.337 -9.875 9.940 535 HB2 GLN 67 2HB GLN 67 -15.603 -10.482 10.414 536 HB3 GLN 67 1HB GLN 67 -16.231 -9.195 9.395 537 HG2 GLN 67 2HG GLN 67 -15.315 -10.295 7.424 538 HG3 GLN 67 1HG GLN 67 -14.655 -11.570 8.437 539 HE21 GLN 67 1HE2 GLN 67 -16.583 -11.592 6.232 540 HE22 GLN 67 2HE2 GLN 67 -17.998 -12.358 6.850 541 H TYR 68 H TYR 68 -14.762 -6.924 8.551 542 HA TYR 68 HA TYR 68 -14.044 -7.519 5.945 543 HB2 TYR 68 2HB TYR 68 -14.091 -5.023 5.440 544 HB3 TYR 68 1HB TYR 68 -15.540 -5.721 6.128 545 HD1 TYR 68 2HD TYR 68 -12.479 -3.793 7.125 546 HD2 TYR 68 1HD TYR 68 -16.554 -4.690 7.913 547 HE1 TYR 68 2HE TYR 68 -12.533 -2.040 8.847 548 HE2 TYR 68 1HE TYR 68 -16.609 -2.945 9.631 549 HH TYR 68 HH TYR 68 -15.012 -1.824 11.095 550 H GLU 69 H GLU 69 -11.925 -6.095 8.351 551 HA GLU 69 HA GLU 69 -9.800 -5.602 6.503 552 HB2 GLU 69 2HB GLU 69 -9.696 -6.047 9.495 553 HB3 GLU 69 1HB GLU 69 -8.351 -5.505 8.511 554 HG2 GLU 69 2HG GLU 69 -10.920 -4.008 8.980 555 HG3 GLU 69 1HG GLU 69 -9.369 -3.673 9.738 556 H SER 70 H SER 70 -10.714 -8.277 8.574 557 HA SER 70 HA SER 70 -8.364 -9.795 7.991 558 HB2 SER 70 2HB SER 70 -10.955 -10.629 9.313 559 HB3 SER 70 1HB SER 70 -9.496 -11.624 9.233 560 HG SER 70 HG SER 70 -9.798 -9.094 10.484 561 H GLU 71 H GLU 71 -11.452 -9.443 6.517 562 HA GLU 71 HA GLU 71 -11.669 -11.769 4.913 563 HB2 GLU 71 2HB GLU 71 -13.332 -9.827 5.322 564 HB3 GLU 71 1HB GLU 71 -12.414 -8.956 4.109 565 HG2 GLU 71 2HG GLU 71 -14.312 -9.865 3.054 566 HG3 GLU 71 1HG GLU 71 -12.928 -10.824 2.520 567 H ALA 72 H ALA 72 -10.139 -8.627 4.411 568 HA ALA 72 HA ALA 72 -9.131 -9.120 1.832 569 HB1 ALA 72 1HB ALA 72 -9.293 -6.872 2.793 570 HB2 ALA 72 2HB ALA 72 -7.649 -7.214 2.258 571 HB3 ALA 72 3HB ALA 72 -8.049 -7.282 3.974 572 H ILE 73 H ILE 73 -7.663 -9.414 5.015 573 HA ILE 73 HA ILE 73 -5.173 -10.451 4.312 574 HB ILE 73 HB ILE 73 -6.810 -11.193 6.756 575 HG12 ILE 73 2HG1 ILE 73 -4.738 -9.020 6.371 576 HG13 ILE 73 1HG1 ILE 73 -6.471 -8.767 6.526 577 HG21 ILE 73 1HG2 ILE 73 -4.655 -11.730 7.809 578 HG22 ILE 73 2HG2 ILE 73 -3.835 -11.422 6.280 579 HG23 ILE 73 3HG2 ILE 73 -4.976 -12.760 6.414 580 HD11 ILE 73 3HD1 ILE 73 -4.627 -9.873 8.631 581 HD12 ILE 73 1HD1 ILE 73 -6.374 -9.694 8.799 582 HD13 ILE 73 2HD1 ILE 73 -5.362 -8.270 8.609 583 H MET 74 H MET 74 -8.213 -12.201 4.869 584 HA MET 74 HA MET 74 -7.181 -14.795 4.571 585 HB2 MET 74 2HB MET 74 -9.981 -13.790 4.040 586 HB3 MET 74 1HB MET 74 -9.535 -15.480 3.998 587 HG2 MET 74 2HG MET 74 -9.158 -13.780 6.449 588 HG3 MET 74 1HG MET 74 -10.677 -14.578 6.094 589 HE1 MET 74 3HE MET 74 -6.769 -16.674 7.425 590 HE2 MET 74 1HE MET 74 -6.913 -14.968 7.054 591 HE3 MET 74 2HE MET 74 -6.822 -16.188 5.751 592 H VAL 75 H VAL 75 -8.688 -12.675 2.186 593 HA VAL 75 HA VAL 75 -8.396 -14.490 0.049 594 HB VAL 75 HB VAL 75 -8.634 -11.459 -0.057 595 HG11 VAL 75 1HG1 VAL 75 -9.100 -13.505 -2.233 596 HG12 VAL 75 2HG1 VAL 75 -7.766 -12.350 -2.167 597 HG13 VAL 75 3HG1 VAL 75 -9.421 -11.774 -2.357 598 HG21 VAL 75 3HG2 VAL 75 -10.719 -13.626 -0.260 599 HG22 VAL 75 1HG2 VAL 75 -11.003 -11.907 -0.523 600 HG23 VAL 75 2HG2 VAL 75 -10.512 -12.487 1.070 601 H ALA 76 H ALA 76 -6.290 -11.976 1.314 602 HA ALA 76 HA ALA 76 -4.338 -12.118 -0.712 603 HB1 ALA 76 1HB ALA 76 -4.502 -10.250 0.851 604 HB2 ALA 76 2HB ALA 76 -2.879 -10.940 0.826 605 HB3 ALA 76 3HB ALA 76 -3.973 -11.300 2.166 606 H PHE 77 H PHE 77 -4.759 -13.900 2.275 607 HA PHE 77 HA PHE 77 -2.296 -15.327 2.133 608 HB2 PHE 77 2HB PHE 77 -3.556 -15.073 4.242 609 HB3 PHE 77 1HB PHE 77 -4.879 -16.012 3.567 610 HD1 PHE 77 1HD PHE 77 -1.356 -16.186 4.670 611 HD2 PHE 77 2HD PHE 77 -4.864 -18.374 3.657 612 HE1 PHE 77 1HE PHE 77 -0.330 -18.239 5.554 613 HE2 PHE 77 2HE PHE 77 -3.839 -20.430 4.538 614 HZ PHE 77 HZ PHE 77 -1.571 -20.365 5.487 615 H GLU 78 H GLU 78 -5.558 -15.955 1.101 616 HA GLU 78 HA GLU 78 -5.262 -18.581 0.182 617 HB2 GLU 78 2HB GLU 78 -7.403 -17.611 0.675 618 HB3 GLU 78 1HB GLU 78 -7.164 -16.350 -0.512 619 HG2 GLU 78 2HG GLU 78 -8.774 -18.036 -1.212 620 HG3 GLU 78 1HG GLU 78 -7.394 -17.914 -2.293 621 H LEU 79 H LEU 79 -4.958 -15.487 -1.533 622 HA LEU 79 HA LEU 79 -4.310 -16.799 -4.044 623 HB2 LEU 79 2HB LEU 79 -4.254 -13.898 -3.259 624 HB3 LEU 79 1HB LEU 79 -4.000 -14.503 -4.883 625 HG LEU 79 HG LEU 79 -6.538 -14.790 -3.298 626 HD11 LEU 79 1HD1 LEU 79 -6.089 -12.457 -3.907 627 HD12 LEU 79 2HD1 LEU 79 -7.430 -13.101 -4.852 628 HD13 LEU 79 3HD1 LEU 79 -5.832 -12.938 -5.584 629 HD21 LEU 79 3HD2 LEU 79 -7.502 -15.470 -5.457 630 HD22 LEU 79 1HD2 LEU 79 -6.243 -16.579 -4.914 631 HD23 LEU 79 2HD2 LEU 79 -5.893 -15.398 -6.177 632 H ASN 80 H ASN 80 -2.616 -15.881 -1.303 633 HA ASN 80 HA ASN 80 -0.523 -15.275 -0.758 634 HB2 ASN 80 2HB ASN 80 0.141 -16.992 -3.174 635 HB3 ASN 80 1HB ASN 80 1.400 -16.263 -2.183 636 HD21 ASN 80 1HD2 ASN 80 1.694 -17.016 -0.069 637 HD22 ASN 80 2HD2 ASN 80 1.081 -18.527 0.464 638 H ALA 81 H ALA 81 -1.523 -13.334 -1.335 639 HA ALA 81 HA ALA 81 -0.449 -12.027 -3.728 640 HB1 ALA 81 1HB ALA 81 -2.364 -10.561 -3.568 641 HB2 ALA 81 2HB ALA 81 -2.864 -11.354 -2.078 642 HB3 ALA 81 3HB ALA 81 -2.882 -12.251 -3.596 643 H LEU 82 H LEU 82 -0.422 -9.596 -3.386 644 HA LEU 82 HA LEU 82 1.256 -8.972 -1.102 645 HB2 LEU 82 2HB LEU 82 1.716 -8.372 -3.572 646 HB3 LEU 82 1HB LEU 82 0.365 -7.280 -3.466 647 HG LEU 82 HG LEU 82 2.533 -6.140 -3.372 648 HD11 LEU 82 1HD1 LEU 82 0.985 -5.918 -0.818 649 HD12 LEU 82 2HD1 LEU 82 0.704 -5.015 -2.314 650 HD13 LEU 82 3HD1 LEU 82 2.195 -4.778 -1.391 651 HD21 LEU 82 3HD2 LEU 82 3.982 -6.349 -1.438 652 HD22 LEU 82 1HD2 LEU 82 3.826 -7.878 -2.299 653 HD23 LEU 82 2HD2 LEU 82 2.947 -7.620 -0.790 654 H LEU 83 H LEU 83 0.379 -7.646 0.564 655 HA LEU 83 HA LEU 83 -2.446 -6.995 0.154 656 HB2 LEU 83 2HB LEU 83 -2.040 -8.690 1.906 657 HB3 LEU 83 1HB LEU 83 -1.051 -7.542 2.775 658 HG LEU 83 HG LEU 83 -3.057 -6.069 3.006 659 HD11 LEU 83 1HD1 LEU 83 -5.260 -7.030 2.641 660 HD12 LEU 83 2HD1 LEU 83 -4.525 -8.464 1.933 661 HD13 LEU 83 3HD1 LEU 83 -4.360 -6.900 1.131 662 HD21 LEU 83 3HD2 LEU 83 -3.298 -8.848 4.133 663 HD22 LEU 83 1HD2 LEU 83 -4.128 -7.415 4.738 664 HD23 LEU 83 2HD2 LEU 83 -2.372 -7.510 4.823 665 H ILE 84 H ILE 84 -2.993 -4.995 0.135 666 HA ILE 84 HA ILE 84 -1.077 -2.938 0.963 667 HB ILE 84 HB ILE 84 -3.705 -2.621 -0.530 668 HG12 ILE 84 2HG1 ILE 84 -0.915 -2.801 -1.717 669 HG13 ILE 84 1HG1 ILE 84 -2.095 -4.097 -1.741 670 HG21 ILE 84 1HG2 ILE 84 -1.307 -0.793 -0.250 671 HG22 ILE 84 2HG2 ILE 84 -2.866 -0.584 0.546 672 HG23 ILE 84 3HG2 ILE 84 -2.748 -0.453 -1.209 673 HD11 ILE 84 3HD1 ILE 84 -3.581 -2.776 -3.095 674 HD12 ILE 84 1HD1 ILE 84 -1.997 -2.890 -3.854 675 HD13 ILE 84 2HD1 ILE 84 -2.478 -1.404 -3.023 676 H ALA 85 H ALA 85 -1.367 -2.331 3.044 677 HA ALA 85 HA ALA 85 -4.096 -2.045 4.036 678 HB1 ALA 85 1HB ALA 85 -1.977 -3.669 5.419 679 HB2 ALA 85 2HB ALA 85 -3.417 -4.305 4.627 680 HB3 ALA 85 3HB ALA 85 -3.575 -3.287 6.059 681 H GLU 86 H GLU 86 -4.304 -0.553 5.637 682 HA GLU 86 HA GLU 86 -1.904 1.028 6.255 683 HB2 GLU 86 2HB GLU 86 -4.811 1.738 6.117 684 HB3 GLU 86 1HB GLU 86 -3.647 2.754 6.949 685 HG2 GLU 86 2HG GLU 86 -3.433 1.938 4.077 686 HG3 GLU 86 1HG GLU 86 -4.141 3.454 4.637 687 H ASP 87 H ASP 87 -4.291 -1.004 7.582 688 HA ASP 87 HA ASP 87 -4.177 0.144 10.213 689 HB2 ASP 87 2HB ASP 87 -6.210 -1.020 9.299 690 HB3 ASP 87 1HB ASP 87 -5.312 -2.530 9.410 691 H LYS 88 H LYS 88 -2.989 -0.503 11.861 692 HA LYS 88 HA LYS 88 -0.518 -1.672 11.292 693 HB2 LYS 88 2HB LYS 88 -1.761 -1.044 13.951 694 HB3 LYS 88 1HB LYS 88 -0.068 -1.443 13.675 695 HG2 LYS 88 2HG LYS 88 0.168 0.548 12.265 696 HG3 LYS 88 1HG LYS 88 -1.527 0.944 12.553 697 HD2 LYS 88 2HD LYS 88 -0.137 2.266 14.033 698 HD3 LYS 88 1HD LYS 88 -1.049 1.086 14.964 699 HE2 LYS 88 2HE LYS 88 1.248 1.232 15.744 700 HE3 LYS 88 1HE LYS 88 0.907 -0.368 15.099 701 HZ1 LYS 88 3HZ LYS 88 3.049 0.384 14.349 702 HZ2 LYS 88 1HZ LYS 88 2.396 1.809 13.718 703 HZ3 LYS 88 2HZ LYS 88 2.018 0.320 13.026 704 H ASP 89 H ASP 89 -3.450 -3.082 12.750 705 HA ASP 89 HA ASP 89 -1.877 -5.384 13.518 706 HB2 ASP 89 2HB ASP 89 -3.803 -4.692 14.979 707 HB3 ASP 89 1HB ASP 89 -4.906 -5.123 13.685 708 H VAL 90 H VAL 90 -3.877 -4.384 10.913 709 HA VAL 90 HA VAL 90 -4.242 -6.907 9.673 710 HB VAL 90 HB VAL 90 -4.002 -4.181 8.328 711 HG11 VAL 90 1HG1 VAL 90 -5.131 -5.201 6.420 712 HG12 VAL 90 2HG1 VAL 90 -5.146 -6.758 7.238 713 HG13 VAL 90 3HG1 VAL 90 -3.613 -6.035 6.752 714 HG21 VAL 90 3HG2 VAL 90 -6.422 -5.786 9.050 715 HG22 VAL 90 1HG2 VAL 90 -6.422 -4.210 8.265 716 HG23 VAL 90 2HG2 VAL 90 -5.853 -4.377 9.937 717 H ILE 91 H ILE 91 -1.775 -4.407 9.227 718 HA ILE 91 HA ILE 91 -0.171 -5.736 7.384 719 HB ILE 91 HB ILE 91 0.658 -3.769 9.548 720 HG12 ILE 91 2HG1 ILE 91 0.076 -3.303 6.612 721 HG13 ILE 91 1HG1 ILE 91 -1.054 -2.964 7.917 722 HG21 ILE 91 1HG2 ILE 91 2.167 -4.625 7.066 723 HG22 ILE 91 2HG2 ILE 91 2.606 -5.010 8.728 724 HG23 ILE 91 3HG2 ILE 91 2.656 -3.338 8.169 725 HD11 ILE 91 3HD1 ILE 91 0.054 -0.947 7.158 726 HD12 ILE 91 1HD1 ILE 91 1.630 -1.660 7.510 727 HD13 ILE 91 2HD1 ILE 91 0.503 -1.319 8.824 728 H ASN 92 H ASN 92 -0.047 -5.735 10.906 729 HA ASN 92 HA ASN 92 2.176 -7.436 11.186 730 HB2 ASN 92 2HB ASN 92 1.416 -6.052 13.029 731 HB3 ASN 92 1HB ASN 92 -0.119 -6.909 13.091 732 HD21 ASN 92 1HD2 ASN 92 -0.213 -8.889 14.108 733 HD22 ASN 92 2HD2 ASN 92 1.066 -9.551 15.028 734 H LYS 93 H LYS 93 -1.302 -8.197 11.413 735 HA LYS 93 HA LYS 93 -1.177 -10.978 11.940 736 HB2 LYS 93 2HB LYS 93 -3.151 -9.381 12.102 737 HB3 LYS 93 1HB LYS 93 -3.235 -9.474 10.367 738 HG2 LYS 93 2HG LYS 93 -3.814 -11.787 10.434 739 HG3 LYS 93 1HG LYS 93 -3.508 -11.855 12.176 740 HD2 LYS 93 2HD LYS 93 -5.269 -10.190 12.545 741 HD3 LYS 93 1HD LYS 93 -5.562 -10.154 10.808 742 HE2 LYS 93 2HE LYS 93 -6.312 -12.437 10.848 743 HE3 LYS 93 1HE LYS 93 -5.843 -12.583 12.545 744 HZ1 LYS 93 3HZ LYS 93 -8.037 -10.830 11.490 745 HZ2 LYS 93 1HZ LYS 93 -7.479 -10.893 13.091 746 HZ3 LYS 93 2HZ LYS 93 -8.197 -12.236 12.421 747 H ALA 94 H ALA 94 -1.547 -9.331 8.857 748 HA ALA 94 HA ALA 94 -1.576 -11.711 7.361 749 HB1 ALA 94 1HB ALA 94 -0.772 -8.959 6.475 750 HB2 ALA 94 2HB ALA 94 -2.424 -9.564 6.553 751 HB3 ALA 94 3HB ALA 94 -1.277 -10.283 5.423 752 H LYS 95 H LYS 95 1.040 -9.560 8.344 753 HA LYS 95 HA LYS 95 2.991 -10.752 6.714 754 HB2 LYS 95 2HB LYS 95 3.219 -8.500 7.651 755 HB3 LYS 95 1HB LYS 95 3.361 -9.180 9.255 756 HG2 LYS 95 2HG LYS 95 5.493 -10.054 8.851 757 HG3 LYS 95 1HG LYS 95 5.309 -9.930 7.105 758 HD2 LYS 95 2HD LYS 95 5.412 -7.553 8.954 759 HD3 LYS 95 1HD LYS 95 6.824 -8.209 8.122 760 HE2 LYS 95 2HE LYS 95 4.323 -7.236 6.710 761 HE3 LYS 95 1HE LYS 95 5.763 -6.251 6.971 762 HZ1 LYS 95 3HZ LYS 95 7.024 -7.705 5.622 763 HZ2 LYS 95 1HZ LYS 95 5.670 -7.320 4.719 764 HZ3 LYS 95 2HZ LYS 95 5.805 -8.832 5.463 765 H GLU 96 H GLU 96 1.959 -11.389 10.024 766 HA GLU 96 HA GLU 96 3.870 -13.346 10.697 767 HB2 GLU 96 2HB GLU 96 0.970 -13.265 11.471 768 HB3 GLU 96 1HB GLU 96 2.214 -14.208 12.266 769 HG2 GLU 96 2HG GLU 96 3.304 -12.115 12.948 770 HG3 GLU 96 1HG GLU 96 1.977 -11.218 12.195 771 H LEU 97 H LEU 97 0.841 -13.479 8.973 772 HA LEU 97 HA LEU 97 0.735 -16.317 8.803 773 HB2 LEU 97 2HB LEU 97 -0.736 -14.227 7.199 774 HB3 LEU 97 1HB LEU 97 -1.125 -15.935 7.237 775 HG LEU 97 HG LEU 97 -1.371 -14.000 9.571 776 HD11 LEU 97 1HD1 LEU 97 -3.088 -13.704 7.891 777 HD12 LEU 97 2HD1 LEU 97 -3.746 -14.427 9.360 778 HD13 LEU 97 3HD1 LEU 97 -3.456 -15.428 7.939 779 HD21 LEU 97 3HD2 LEU 97 -2.373 -15.884 10.764 780 HD22 LEU 97 1HD2 LEU 97 -0.701 -16.236 10.335 781 HD23 LEU 97 2HD2 LEU 97 -2.020 -16.949 9.407 782 H GLY 98 H GLY 98 2.540 -14.016 7.151 783 HA2 GLY 98 2HA GLY 98 4.357 -14.803 5.781 784 HA3 GLY 98 1HA GLY 98 3.298 -16.073 5.182 785 H VAL 99 H VAL 99 1.607 -13.246 5.384 786 HA VAL 99 HA VAL 99 1.784 -12.878 2.502 787 HB VAL 99 HB VAL 99 -0.087 -11.645 4.544 788 HG11 VAL 99 1HG1 VAL 99 -0.265 -11.665 1.530 789 HG12 VAL 99 2HG1 VAL 99 0.113 -10.273 2.543 790 HG13 VAL 99 3HG1 VAL 99 -1.483 -11.016 2.630 791 HG21 VAL 99 3HG2 VAL 99 -1.784 -13.200 3.685 792 HG22 VAL 99 1HG2 VAL 99 -0.422 -14.037 4.432 793 HG23 VAL 99 2HG2 VAL 99 -0.554 -13.957 2.674 794 H ASN 100 H ASN 100 2.661 -11.009 1.643 795 HA ASN 100 HA ASN 100 3.970 -9.290 3.554 796 HB2 ASN 100 2HB ASN 100 5.245 -9.998 1.542 797 HB3 ASN 100 1HB ASN 100 4.084 -9.135 0.535 798 HD21 ASN 100 1HD2 ASN 100 5.677 -7.765 -0.246 799 HD22 ASN 100 2HD2 ASN 100 6.326 -6.473 0.684 800 H ALA 101 H ALA 101 2.523 -8.154 4.519 801 HA ALA 101 HA ALA 101 0.725 -6.482 2.964 802 HB1 ALA 101 1HB ALA 101 -0.208 -7.668 4.880 803 HB2 ALA 101 2HB ALA 101 -0.260 -5.923 5.139 804 HB3 ALA 101 3HB ALA 101 0.973 -6.905 5.941 805 H ILE 102 H ILE 102 1.182 -4.450 2.585 806 HA ILE 102 HA ILE 102 3.111 -3.121 4.265 807 HB ILE 102 HB ILE 102 4.082 -2.016 2.168 808 HG12 ILE 102 2HG1 ILE 102 4.105 -3.602 0.134 809 HG13 ILE 102 1HG1 ILE 102 2.698 -4.356 0.855 810 HG21 ILE 102 1HG2 ILE 102 5.708 -3.809 1.770 811 HG22 ILE 102 2HG2 ILE 102 4.684 -4.899 2.709 812 HG23 ILE 102 3HG2 ILE 102 5.403 -3.483 3.474 813 HD11 ILE 102 3HD1 ILE 102 1.490 -2.241 0.703 814 HD12 ILE 102 1HD1 ILE 102 2.070 -2.772 -0.879 815 HD13 ILE 102 2HD1 ILE 102 2.912 -1.487 -0.018 816 HA PRO 103 HA PRO 103 0.257 0.275 4.111 817 HB2 PRO 103 2HB PRO 103 2.575 2.103 3.973 818 HB3 PRO 103 1HB PRO 103 1.311 1.988 5.200 819 HG2 PRO 103 2HG PRO 103 3.791 1.160 5.698 820 HG3 PRO 103 1HG PRO 103 2.383 0.294 6.337 821 HD2 PRO 103 2HD PRO 103 4.122 -0.390 4.000 822 HD3 PRO 103 1HD PRO 103 3.437 -1.445 5.256 823 H ILE 104 H ILE 104 -0.371 2.074 2.853 824 HA ILE 104 HA ILE 104 -0.435 1.730 0.113 825 HB ILE 104 HB ILE 104 -0.978 4.107 1.861 826 HG12 ILE 104 2HG1 ILE 104 -2.812 2.266 0.334 827 HG13 ILE 104 1HG1 ILE 104 -2.411 2.119 2.043 828 HG21 ILE 104 1HG2 ILE 104 -0.387 5.054 -0.286 829 HG22 ILE 104 2HG2 ILE 104 -2.128 5.194 -0.024 830 HG23 ILE 104 3HG2 ILE 104 -1.493 3.950 -1.102 831 HD11 ILE 104 3HD1 ILE 104 -3.682 4.509 0.808 832 HD12 ILE 104 1HD1 ILE 104 -3.466 4.202 2.520 833 HD13 ILE 104 2HD1 ILE 104 -4.597 3.209 1.581 834 H GLU 105 H GLU 105 1.647 3.876 1.963 835 HA GLU 105 HA GLU 105 2.779 5.204 -0.252 836 HB2 GLU 105 2HB GLU 105 2.772 6.051 2.052 837 HB3 GLU 105 1HB GLU 105 3.950 4.816 2.499 838 HG2 GLU 105 2HG GLU 105 5.002 6.979 2.177 839 HG3 GLU 105 1HG GLU 105 5.562 5.819 0.970 840 H GLU 106 H GLU 106 3.492 2.167 1.266 841 HA GLU 106 HA GLU 106 6.090 1.906 0.074 842 HB2 GLU 106 2HB GLU 106 4.286 -0.072 1.434 843 HB3 GLU 106 1HB GLU 106 5.894 -0.469 0.843 844 HG2 GLU 106 2HG GLU 106 5.184 1.526 2.972 845 HG3 GLU 106 1HG GLU 106 5.992 -0.030 3.192 846 H LEU 107 H LEU 107 2.850 1.028 -0.661 847 HA LEU 107 HA LEU 107 3.410 -0.686 -2.852 848 HB2 LEU 107 2HB LEU 107 1.265 -0.567 -1.502 849 HB3 LEU 107 1HB LEU 107 0.920 0.952 -2.279 850 HG LEU 107 HG LEU 107 -0.383 -0.998 -3.125 851 HD11 LEU 107 1HD1 LEU 107 -0.210 -0.481 -5.472 852 HD12 LEU 107 2HD1 LEU 107 1.352 0.286 -5.195 853 HD13 LEU 107 3HD1 LEU 107 -0.104 0.990 -4.496 854 HD21 LEU 107 3HD2 LEU 107 2.263 -1.901 -4.252 855 HD22 LEU 107 1HD2 LEU 107 0.691 -2.603 -4.617 856 HD23 LEU 107 2HD2 LEU 107 1.344 -2.708 -2.982 857 H LEU 108 H LEU 108 2.710 2.731 -2.462 858 HA LEU 108 HA LEU 108 2.837 3.517 -5.170 859 HB2 LEU 108 2HB LEU 108 3.521 5.057 -2.664 860 HB3 LEU 108 1HB LEU 108 3.335 5.776 -4.250 861 HG LEU 108 HG LEU 108 1.139 4.367 -2.730 862 HD11 LEU 108 1HD1 LEU 108 1.801 6.438 -1.628 863 HD12 LEU 108 2HD1 LEU 108 0.221 6.605 -2.395 864 HD13 LEU 108 3HD1 LEU 108 1.649 7.303 -3.157 865 HD21 LEU 108 3HD2 LEU 108 1.087 6.000 -5.266 866 HD22 LEU 108 1HD2 LEU 108 -0.322 5.356 -4.426 867 HD23 LEU 108 2HD2 LEU 108 0.849 4.256 -5.146 868 H ALA 109 H ALA 109 5.274 3.300 -2.646 869 HA ALA 109 HA ALA 109 7.452 4.343 -4.029 870 HB1 ALA 109 1HB ALA 109 7.396 4.020 -1.614 871 HB2 ALA 109 2HB ALA 109 8.821 3.279 -2.351 872 HB3 ALA 109 3HB ALA 109 7.462 2.272 -1.851 873 H SER 110 H SER 110 6.265 1.023 -3.840 874 HA SER 110 HA SER 110 8.456 -0.106 -5.120 875 HB2 SER 110 2HB SER 110 6.787 -2.046 -5.555 876 HB3 SER 110 1HB SER 110 7.277 -1.647 -3.907 877 HG SER 110 HG SER 110 4.943 -0.464 -5.006 878 H SER 111 H SER 111 6.157 1.836 -6.541 879 HA SER 111 HA SER 111 6.193 0.676 -9.159 880 HB2 SER 111 2HB SER 111 4.388 2.194 -8.319 881 HB3 SER 111 1HB SER 111 5.559 3.499 -8.270 882 HG SER 111 HG SER 111 4.061 3.000 -10.259 883 H LEU 112 H LEU 112 8.291 2.621 -7.253 884 HA LEU 112 HA LEU 112 9.874 3.400 -9.593 885 HB2 LEU 112 2HB LEU 112 9.862 4.521 -6.788 886 HB3 LEU 112 1HB LEU 112 10.913 5.054 -8.082 887 HG LEU 112 HG LEU 112 7.901 5.332 -8.086 888 HD11 LEU 112 1HD1 LEU 112 10.057 7.372 -7.553 889 HD12 LEU 112 2HD1 LEU 112 8.929 6.716 -6.364 890 HD13 LEU 112 3HD1 LEU 112 8.332 7.704 -7.698 891 HD21 LEU 112 3HD2 LEU 112 10.018 6.469 -9.918 892 HD22 LEU 112 1HD2 LEU 112 8.290 6.814 -9.994 893 HD23 LEU 112 2HD2 LEU 112 8.879 5.187 -10.331 894 H GLU 113 H GLU 113 11.057 1.530 -9.823 895 HA GLU 113 HA GLU 113 12.410 0.283 -7.581 896 HB2 GLU 113 2HB GLU 113 12.903 -0.003 -10.550 897 HB3 GLU 113 1HB GLU 113 13.507 -1.041 -9.279 898 HG2 GLU 113 2HG GLU 113 11.349 -1.937 -8.886 899 HG3 GLU 113 1HG GLU 113 10.597 -0.735 -9.945 900 H HIS 114 H HIS 114 13.293 1.909 -10.553 901 HA HIS 114 HA HIS 114 15.385 3.539 -9.574 902 HB2 HIS 114 2HB HIS 114 16.084 1.163 -11.382 903 HB3 HIS 114 1HB HIS 114 17.155 2.510 -11.046 904 HD1 HIS 114 1HD HIS 114 16.267 -0.846 -9.903 905 HD2 HIS 114 2HD HIS 114 18.048 2.528 -8.246 906 HE1 HIS 114 1HE HIS 114 17.357 -1.622 -7.803 907 HE2 HIS 114 2HE HIS 114 18.680 0.356 -7.020 908 H HIS 115 H HIS 115 16.202 4.683 -11.651 909 HA HIS 115 HA HIS 115 13.939 4.938 -13.400 910 HB2 HIS 115 2HB HIS 115 16.558 6.408 -13.232 911 HB3 HIS 115 1HB HIS 115 15.558 6.559 -14.668 912 HD1 HIS 115 1HD HIS 115 13.595 8.117 -14.546 913 HD2 HIS 115 2HD HIS 115 15.313 7.428 -10.827 914 HE1 HIS 115 1HE HIS 115 12.480 9.732 -12.971 915 HE2 HIS 115 2HE HIS 115 13.371 9.111 -10.706 916 H HIS 116 H HIS 116 13.550 3.667 -14.958 917 HA HIS 116 HA HIS 116 15.641 1.991 -16.065 918 HB2 HIS 116 2HB HIS 116 12.664 2.073 -16.646 919 HB3 HIS 116 1HB HIS 116 13.785 0.960 -17.404 920 HD1 HIS 116 1HD HIS 116 14.790 -0.928 -15.845 921 HD2 HIS 116 2HD HIS 116 11.774 1.362 -14.134 922 HE1 HIS 116 1HE HIS 116 14.011 -2.228 -13.854 923 HE2 HIS 116 2HE HIS 116 11.969 -0.997 -13.077 924 H HIS 117 H HIS 117 15.581 1.712 -18.531 925 HA HIS 117 HA HIS 117 16.143 4.234 -19.659 926 HB2 HIS 117 2HB HIS 117 16.003 1.471 -20.863 927 HB3 HIS 117 1HB HIS 117 16.264 2.895 -21.863 928 HD1 HIS 117 1HD HIS 117 18.583 3.794 -21.986 929 HD2 HIS 117 2HD HIS 117 18.155 1.009 -18.948 930 HE1 HIS 117 1HE HIS 117 20.911 3.337 -21.153 931 HE2 HIS 117 2HE HIS 117 20.573 1.858 -19.154 932 H HIS 118 H HIS 118 15.097 5.401 -21.078 933 HA HIS 118 HA HIS 118 12.343 5.655 -20.727 934 HB2 HIS 118 2HB HIS 118 13.757 7.559 -21.218 935 HB3 HIS 118 1HB HIS 118 14.166 6.894 -22.788 936 HD1 HIS 118 1HD HIS 118 12.646 7.521 -24.719 937 HD2 HIS 118 2HD HIS 118 11.017 8.489 -21.020 938 HE1 HIS 118 1HE HIS 118 10.620 8.891 -25.218 939 HE2 HIS 118 2HE HIS 118 9.509 9.185 -22.977 940 H HIS 119 H HIS 119 10.798 4.485 -21.528 941 HA HIS 119 HA HIS 119 10.901 3.742 -24.338 942 HB2 HIS 119 2HB HIS 119 9.686 2.127 -22.080 943 HB3 HIS 119 1HB HIS 119 9.441 1.783 -23.786 944 HD1 HIS 119 1HD HIS 119 11.928 1.432 -25.075 945 HD2 HIS 119 2HD HIS 119 11.644 0.699 -21.008 946 HE1 HIS 119 1HE HIS 119 13.894 -0.027 -24.513 947 HE2 HIS 119 2HE HIS 119 13.664 -0.496 -22.044 Start of MODEL 18 1 H1 MET 1 1HT MET 1 2.696 -11.118 -9.739 2 H2 MET 1 2HT MET 1 1.748 -9.703 -9.715 3 H3 MET 1 3HT MET 1 1.062 -11.142 -10.187 4 HA MET 1 HA MET 1 1.236 -12.050 -8.014 5 HB2 MET 1 2HB MET 1 3.377 -10.746 -7.514 6 HB3 MET 1 1HB MET 1 2.359 -9.345 -7.237 7 HG2 MET 1 2HG MET 1 1.270 -10.526 -5.389 8 HG3 MET 1 1HG MET 1 2.302 -11.924 -5.695 9 HE1 MET 1 2HE MET 1 2.147 -10.738 -2.822 10 HE2 MET 1 3HE MET 1 3.851 -10.665 -2.379 11 HE3 MET 1 1HE MET 1 3.233 -12.049 -3.281 12 H PHE 2 H PHE 2 -0.525 -11.677 -6.574 13 HA PHE 2 HA PHE 2 -2.451 -9.769 -7.603 14 HB2 PHE 2 2HB PHE 2 -2.653 -11.762 -5.325 15 HB3 PHE 2 1HB PHE 2 -3.976 -10.772 -5.914 16 HD1 PHE 2 2HD PHE 2 -4.730 -11.159 -8.323 17 HD2 PHE 2 1HD PHE 2 -2.249 -13.876 -6.194 18 HE1 PHE 2 2HE PHE 2 -5.360 -12.956 -9.872 19 HE2 PHE 2 1HE PHE 2 -2.870 -15.667 -7.737 20 HZ PHE 2 HZ PHE 2 -4.429 -15.213 -9.577 21 H ALA 3 H ALA 3 -3.308 -8.128 -6.309 22 HA ALA 3 HA ALA 3 -1.894 -7.571 -3.814 23 HB1 ALA 3 1HB ALA 3 -2.534 -5.548 -5.970 24 HB2 ALA 3 2HB ALA 3 -0.922 -6.126 -5.536 25 HB3 ALA 3 3HB ALA 3 -1.858 -5.176 -4.384 26 H VAL 4 H VAL 4 -3.367 -7.760 -2.349 27 HA VAL 4 HA VAL 4 -6.145 -7.188 -3.019 28 HB VAL 4 HB VAL 4 -5.044 -8.491 -0.509 29 HG11 VAL 4 1HG1 VAL 4 -7.246 -7.494 -0.174 30 HG12 VAL 4 2HG1 VAL 4 -7.367 -9.256 -0.157 31 HG13 VAL 4 3HG1 VAL 4 -7.871 -8.354 -1.583 32 HG21 VAL 4 3HG2 VAL 4 -5.756 -10.625 -1.441 33 HG22 VAL 4 1HG2 VAL 4 -4.566 -9.858 -2.489 34 HG23 VAL 4 2HG2 VAL 4 -6.279 -9.834 -2.922 35 H ILE 5 H ILE 5 -7.144 -5.501 -2.237 36 HA ILE 5 HA ILE 5 -5.613 -3.607 -0.639 37 HB ILE 5 HB ILE 5 -8.282 -3.235 -2.031 38 HG12 ILE 5 2HG1 ILE 5 -5.523 -2.415 -2.983 39 HG13 ILE 5 1HG1 ILE 5 -6.394 -3.818 -3.586 40 HG21 ILE 5 1HG2 ILE 5 -7.780 -0.831 -1.791 41 HG22 ILE 5 2HG2 ILE 5 -6.295 -1.234 -0.933 42 HG23 ILE 5 3HG2 ILE 5 -7.858 -1.634 -0.221 43 HD11 ILE 5 3HD1 ILE 5 -7.248 -0.941 -3.842 44 HD12 ILE 5 1HD1 ILE 5 -8.149 -2.340 -4.430 45 HD13 ILE 5 2HD1 ILE 5 -6.571 -1.958 -5.118 46 H SER 6 H SER 6 -5.998 -3.424 1.503 47 HA SER 6 HA SER 6 -8.343 -4.671 2.643 48 HB2 SER 6 2HB SER 6 -6.106 -3.121 3.987 49 HB3 SER 6 1HB SER 6 -7.283 -4.173 4.779 50 HG SER 6 HG SER 6 -6.001 -5.387 2.740 51 HA PRO 7 HA PRO 7 -10.856 -1.025 2.638 52 HB2 PRO 7 2HB PRO 7 -11.490 -1.670 5.483 53 HB3 PRO 7 1HB PRO 7 -12.588 -1.342 4.136 54 HG2 PRO 7 2HG PRO 7 -12.241 -3.840 4.929 55 HG3 PRO 7 1HG PRO 7 -12.273 -3.459 3.198 56 HD2 PRO 7 2HD PRO 7 -9.912 -4.000 4.963 57 HD3 PRO 7 1HD PRO 7 -10.254 -4.581 3.315 58 H SER 8 H SER 8 -8.654 -1.382 5.372 59 HA SER 8 HA SER 8 -8.582 1.289 6.248 60 HB2 SER 8 2HB SER 8 -6.333 -0.722 6.157 61 HB3 SER 8 1HB SER 8 -6.330 0.766 7.099 62 HG SER 8 HG SER 8 -7.959 -1.531 7.401 63 H ALA 9 H ALA 9 -7.407 -0.010 3.258 64 HA ALA 9 HA ALA 9 -5.642 2.282 2.829 65 HB1 ALA 9 1HB ALA 9 -5.989 -0.256 1.237 66 HB2 ALA 9 2HB ALA 9 -4.704 0.067 2.402 67 HB3 ALA 9 3HB ALA 9 -4.803 1.005 0.913 68 H PHE 10 H PHE 10 -8.750 2.012 2.626 69 HA PHE 10 HA PHE 10 -9.342 2.510 -0.116 70 HB2 PHE 10 2HB PHE 10 -10.955 2.897 2.381 71 HB3 PHE 10 1HB PHE 10 -11.534 3.396 0.803 72 HD1 PHE 10 1HD PHE 10 -9.686 0.572 0.076 73 HD2 PHE 10 2HD PHE 10 -13.263 1.743 2.061 74 HE1 PHE 10 1HE PHE 10 -10.612 -1.660 -0.283 75 HE2 PHE 10 2HE PHE 10 -14.187 -0.492 1.707 76 HZ PHE 10 HZ PHE 10 -12.878 -2.191 0.547 77 H GLY 11 H GLY 11 -10.388 4.393 -0.904 78 HA2 GLY 11 2HA GLY 11 -10.674 6.674 -1.143 79 HA3 GLY 11 1HA GLY 11 -9.729 6.928 0.318 80 H LYS 12 H LYS 12 -7.511 5.320 -0.536 81 HA LYS 12 HA LYS 12 -6.172 7.241 -2.287 82 HB2 LYS 12 2HB LYS 12 -5.176 4.907 -0.684 83 HB3 LYS 12 1HB LYS 12 -4.159 6.118 -1.459 84 HG2 LYS 12 2HG LYS 12 -6.191 6.740 0.669 85 HG3 LYS 12 1HG LYS 12 -4.506 6.391 1.025 86 HD2 LYS 12 2HD LYS 12 -5.432 8.603 -0.821 87 HD3 LYS 12 1HD LYS 12 -5.107 8.835 0.893 88 HE2 LYS 12 2HE LYS 12 -2.789 8.161 0.568 89 HE3 LYS 12 1HE LYS 12 -3.107 7.820 -1.128 90 HZ1 LYS 12 3HZ LYS 12 -2.035 9.989 -0.728 91 HZ2 LYS 12 1HZ LYS 12 -3.435 10.496 0.088 92 HZ3 LYS 12 2HZ LYS 12 -3.491 10.066 -1.564 93 H LEU 13 H LEU 13 -8.045 4.948 -2.955 94 HA LEU 13 HA LEU 13 -6.789 2.813 -4.230 95 HB2 LEU 13 2HB LEU 13 -9.442 4.059 -4.906 96 HB3 LEU 13 1HB LEU 13 -8.919 2.447 -5.347 97 HG LEU 13 HG LEU 13 -9.355 3.410 -2.516 98 HD11 LEU 13 1HD1 LEU 13 -11.448 3.239 -3.747 99 HD12 LEU 13 2HD1 LEU 13 -11.312 1.974 -2.524 100 HD13 LEU 13 3HD1 LEU 13 -11.043 1.588 -4.221 101 HD21 LEU 13 3HD2 LEU 13 -7.659 1.671 -2.639 102 HD22 LEU 13 1HD2 LEU 13 -8.741 0.668 -3.610 103 HD23 LEU 13 2HD2 LEU 13 -9.149 1.037 -1.939 104 H LYS 14 H LYS 14 -7.620 5.991 -5.506 105 HA LYS 14 HA LYS 14 -7.132 5.246 -8.231 106 HB2 LYS 14 2HB LYS 14 -7.416 7.996 -7.003 107 HB3 LYS 14 1HB LYS 14 -7.401 7.614 -8.710 108 HG2 LYS 14 2HG LYS 14 -9.442 6.359 -8.532 109 HG3 LYS 14 1HG LYS 14 -9.446 6.550 -6.784 110 HD2 LYS 14 2HD LYS 14 -9.604 8.853 -8.729 111 HD3 LYS 14 1HD LYS 14 -11.014 8.066 -8.023 112 HE2 LYS 14 2HE LYS 14 -8.831 9.532 -6.523 113 HE3 LYS 14 1HE LYS 14 -10.465 10.107 -6.815 114 HZ1 LYS 14 3HZ LYS 14 -11.229 8.059 -5.541 115 HZ2 LYS 14 1HZ LYS 14 -10.418 9.241 -4.629 116 HZ3 LYS 14 2HZ LYS 14 -9.602 7.876 -5.097 117 H GLU 15 H GLU 15 -5.264 6.475 -5.623 118 HA GLU 15 HA GLU 15 -3.136 7.360 -7.307 119 HB2 GLU 15 2HB GLU 15 -3.392 7.092 -4.332 120 HB3 GLU 15 1HB GLU 15 -1.882 7.561 -5.112 121 HG2 GLU 15 2HG GLU 15 -2.902 9.433 -6.099 122 HG3 GLU 15 1HG GLU 15 -4.502 9.013 -5.454 123 H ILE 16 H ILE 16 -3.643 4.554 -5.198 124 HA ILE 16 HA ILE 16 -1.108 3.470 -5.830 125 HB ILE 16 HB ILE 16 -1.972 1.290 -4.930 126 HG12 ILE 16 2HG1 ILE 16 -4.523 2.869 -4.468 127 HG13 ILE 16 1HG1 ILE 16 -4.343 1.510 -5.567 128 HG21 ILE 16 1HG2 ILE 16 -2.190 2.089 -2.621 129 HG22 ILE 16 2HG2 ILE 16 -2.424 3.726 -3.228 130 HG23 ILE 16 3HG2 ILE 16 -0.887 2.898 -3.493 131 HD11 ILE 16 3HD1 ILE 16 -3.920 0.025 -3.692 132 HD12 ILE 16 1HD1 ILE 16 -5.458 0.868 -3.490 133 HD13 ILE 16 2HD1 ILE 16 -4.031 1.381 -2.575 134 H LEU 17 H LEU 17 -4.265 3.016 -7.271 135 HA LEU 17 HA LEU 17 -3.563 1.063 -9.182 136 HB2 LEU 17 2HB LEU 17 -5.729 3.016 -8.780 137 HB3 LEU 17 1HB LEU 17 -5.476 2.488 -10.424 138 HG LEU 17 HG LEU 17 -6.095 0.242 -9.896 139 HD11 LEU 17 1HD1 LEU 17 -6.128 1.085 -7.018 140 HD12 LEU 17 2HD1 LEU 17 -4.916 0.005 -7.762 141 HD13 LEU 17 3HD1 LEU 17 -6.630 -0.466 -7.694 142 HD21 LEU 17 3HD2 LEU 17 -8.261 0.502 -9.059 143 HD22 LEU 17 1HD2 LEU 17 -7.888 1.912 -10.042 144 HD23 LEU 17 2HD2 LEU 17 -7.849 2.034 -8.285 145 H GLY 18 H GLY 18 -3.821 4.602 -9.442 146 HA2 GLY 18 2HA GLY 18 -3.035 4.659 -12.137 147 HA3 GLY 18 1HA GLY 18 -3.154 6.032 -11.060 148 H SER 19 H SER 19 -1.153 4.874 -9.179 149 HA SER 19 HA SER 19 1.048 5.830 -10.748 150 HB2 SER 19 2HB SER 19 0.614 6.744 -8.472 151 HB3 SER 19 1HB SER 19 1.026 5.168 -7.802 152 HG SER 19 HG SER 19 3.044 5.591 -8.057 153 H ASN 20 H ASN 20 0.008 2.715 -9.471 154 HA ASN 20 HA ASN 20 2.727 1.766 -10.049 155 HB2 ASN 20 2HB ASN 20 1.850 1.393 -7.728 156 HB3 ASN 20 1HB ASN 20 0.665 0.294 -8.415 157 HD21 ASN 20 1HD2 ASN 20 2.872 -0.153 -6.484 158 HD22 ASN 20 2HD2 ASN 20 3.788 -1.456 -7.164 159 H LYS 21 H LYS 21 -0.641 0.584 -10.446 160 HA LYS 21 HA LYS 21 -1.472 -1.161 -11.662 161 HB2 LYS 21 2HB LYS 21 0.593 -0.217 -13.709 162 HB3 LYS 21 1HB LYS 21 -0.619 -1.428 -14.056 163 HG2 LYS 21 2HG LYS 21 -1.639 0.371 -14.968 164 HG3 LYS 21 1HG LYS 21 -2.246 0.534 -13.325 165 HD2 LYS 21 2HD LYS 21 -0.542 2.185 -12.831 166 HD3 LYS 21 1HD LYS 21 0.175 1.958 -14.428 167 HE2 LYS 21 2HE LYS 21 -2.064 2.633 -15.394 168 HE3 LYS 21 1HE LYS 21 -2.534 3.092 -13.764 169 HZ1 LYS 21 3HZ LYS 21 -0.687 4.659 -13.718 170 HZ2 LYS 21 1HZ LYS 21 -1.712 5.017 -14.996 171 HZ3 LYS 21 2HZ LYS 21 -0.243 4.231 -15.266 172 H ASN 22 H ASN 22 0.009 -2.919 -13.509 173 HA ASN 22 HA ASN 22 1.511 -4.620 -13.708 174 HB2 ASN 22 2HB ASN 22 3.213 -2.929 -13.093 175 HB3 ASN 22 1HB ASN 22 2.972 -3.308 -11.399 176 HD21 ASN 22 1HD2 ASN 22 3.230 -5.614 -14.109 177 HD22 ASN 22 2HD2 ASN 22 4.678 -6.345 -13.539 178 H TYR 23 H TYR 23 -0.103 -4.123 -10.798 179 HA TYR 23 HA TYR 23 0.285 -6.921 -10.002 180 HB2 TYR 23 2HB TYR 23 -0.520 -4.482 -8.423 181 HB3 TYR 23 1HB TYR 23 -0.826 -6.109 -7.840 182 HD1 TYR 23 1HD TYR 23 1.797 -3.618 -8.584 183 HD2 TYR 23 2HD TYR 23 0.945 -7.475 -7.005 184 HE1 TYR 23 1HE TYR 23 4.048 -3.706 -7.585 185 HE2 TYR 23 2HE TYR 23 3.186 -7.575 -6.008 186 HH TYR 23 HH TYR 23 5.374 -6.585 -6.419 187 H LYS 24 H LYS 24 -1.531 -8.163 -9.592 188 HA LYS 24 HA LYS 24 -3.880 -7.222 -10.960 189 HB2 LYS 24 2HB LYS 24 -3.088 -9.549 -11.336 190 HB3 LYS 24 1HB LYS 24 -3.318 -9.894 -9.637 191 HG2 LYS 24 2HG LYS 24 -5.109 -10.874 -10.964 192 HG3 LYS 24 1HG LYS 24 -5.750 -9.621 -9.911 193 HD2 LYS 24 2HD LYS 24 -4.992 -8.902 -12.711 194 HD3 LYS 24 1HD LYS 24 -6.486 -9.797 -12.449 195 HE2 LYS 24 2HE LYS 24 -7.346 -8.066 -11.053 196 HE3 LYS 24 1HE LYS 24 -5.818 -7.204 -11.041 197 HZ1 LYS 24 3HZ LYS 24 -7.429 -6.221 -12.523 198 HZ2 LYS 24 1HZ LYS 24 -7.547 -7.638 -13.424 199 HZ3 LYS 24 2HZ LYS 24 -6.098 -6.773 -13.401 200 H PHE 25 H PHE 25 -4.880 -5.770 -9.731 201 HA PHE 25 HA PHE 25 -4.861 -5.928 -6.891 202 HB2 PHE 25 2HB PHE 25 -6.336 -4.085 -8.752 203 HB3 PHE 25 1HB PHE 25 -6.304 -3.911 -6.998 204 HD1 PHE 25 1HD PHE 25 -3.929 -3.683 -5.944 205 HD2 PHE 25 2HD PHE 25 -4.795 -2.983 -10.046 206 HE1 PHE 25 1HE PHE 25 -1.898 -2.301 -6.138 207 HE2 PHE 25 2HE PHE 25 -2.778 -1.616 -10.249 208 HZ PHE 25 HZ PHE 25 -1.316 -1.269 -8.294 209 H VAL 26 H VAL 26 -6.264 -6.697 -5.590 210 HA VAL 26 HA VAL 26 -8.843 -7.676 -6.587 211 HB VAL 26 HB VAL 26 -7.047 -8.989 -4.528 212 HG11 VAL 26 1HG1 VAL 26 -9.391 -9.407 -4.093 213 HG12 VAL 26 2HG1 VAL 26 -8.607 -10.885 -4.657 214 HG13 VAL 26 3HG1 VAL 26 -9.622 -9.951 -5.754 215 HG21 VAL 26 3HG2 VAL 26 -6.064 -9.259 -6.727 216 HG22 VAL 26 1HG2 VAL 26 -7.598 -9.852 -7.363 217 HG23 VAL 26 2HG2 VAL 26 -6.711 -10.799 -6.168 218 H ILE 27 H ILE 27 -10.530 -7.186 -5.258 219 HA ILE 27 HA ILE 27 -9.934 -6.006 -2.653 220 HB ILE 27 HB ILE 27 -10.469 -4.419 -4.674 221 HG12 ILE 27 2HG1 ILE 27 -10.302 -3.572 -2.378 222 HG13 ILE 27 1HG1 ILE 27 -11.554 -2.738 -3.271 223 HG21 ILE 27 1HG2 ILE 27 -12.372 -5.485 -5.580 224 HG22 ILE 27 2HG2 ILE 27 -12.839 -3.881 -5.011 225 HG23 ILE 27 3HG2 ILE 27 -13.255 -5.310 -4.064 226 HD11 ILE 27 3HD1 ILE 27 -13.228 -4.115 -2.082 227 HD12 ILE 27 1HD1 ILE 27 -12.217 -3.117 -1.034 228 HD13 ILE 27 2HD1 ILE 27 -11.893 -4.839 -1.169 229 H THR 28 H THR 28 -11.515 -6.599 -1.067 230 HA THR 28 HA THR 28 -12.859 -9.024 -1.701 231 HB THR 28 HB THR 28 -13.335 -8.950 0.767 232 HG1 THR 28 1HG THR 28 -11.964 -7.378 1.862 233 HG21 THR 28 3HG2 THR 28 -11.038 -9.497 1.321 234 HG22 THR 28 1HG2 THR 28 -10.467 -8.677 -0.138 235 HG23 THR 28 2HG2 THR 28 -11.446 -10.134 -0.270 236 H THR 29 H THR 29 -15.031 -9.457 -0.834 237 HA THR 29 HA THR 29 -16.876 -7.630 -1.877 238 HB THR 29 HB THR 29 -18.519 -9.242 -0.710 239 HG1 THR 29 1HG THR 29 -16.346 -10.245 0.401 240 HG21 THR 29 3HG2 THR 29 -16.687 -10.159 -2.923 241 HG22 THR 29 1HG2 THR 29 -18.117 -9.140 -3.114 242 HG23 THR 29 2HG2 THR 29 -18.290 -10.805 -2.567 243 H LEU 30 H LEU 30 -15.909 -8.442 1.430 244 HA LEU 30 HA LEU 30 -17.843 -6.711 2.601 245 HB2 LEU 30 2HB LEU 30 -15.202 -7.671 3.702 246 HB3 LEU 30 1HB LEU 30 -16.400 -6.798 4.628 247 HG LEU 30 HG LEU 30 -16.698 -9.570 3.472 248 HD11 LEU 30 1HD1 LEU 30 -16.758 -10.258 5.805 249 HD12 LEU 30 2HD1 LEU 30 -16.525 -8.589 6.308 250 HD13 LEU 30 3HD1 LEU 30 -15.251 -9.427 5.426 251 HD21 LEU 30 3HD2 LEU 30 -18.843 -8.404 3.398 252 HD22 LEU 30 1HD2 LEU 30 -18.649 -7.921 5.085 253 HD23 LEU 30 2HD2 LEU 30 -18.843 -9.622 4.672 254 H GLY 31 H GLY 31 -14.713 -6.321 1.236 255 HA2 GLY 31 2HA GLY 31 -14.106 -3.749 2.168 256 HA3 GLY 31 1HA GLY 31 -13.494 -4.490 0.687 257 H VAL 32 H VAL 32 -15.567 -4.778 -0.936 258 HA VAL 32 HA VAL 32 -16.081 -2.147 -1.762 259 HB VAL 32 HB VAL 32 -17.603 -3.002 -3.474 260 HG11 VAL 32 1HG1 VAL 32 -15.240 -4.811 -3.131 261 HG12 VAL 32 2HG1 VAL 32 -15.238 -3.227 -3.899 262 HG13 VAL 32 3HG1 VAL 32 -16.134 -4.560 -4.627 263 HG21 VAL 32 3HG2 VAL 32 -18.158 -5.411 -3.636 264 HG22 VAL 32 1HG2 VAL 32 -18.861 -4.647 -2.203 265 HG23 VAL 32 2HG2 VAL 32 -17.422 -5.649 -2.048 266 H SER 33 H SER 33 -17.965 -4.305 0.198 267 HA SER 33 HA SER 33 -20.338 -2.799 0.230 268 HB2 SER 33 2HB SER 33 -19.233 -4.694 2.305 269 HB3 SER 33 1HB SER 33 -20.906 -4.140 2.201 270 HG SER 33 HG SER 33 -19.478 -5.843 0.453 271 H PHE 34 H PHE 34 -17.471 -2.796 2.343 272 HA PHE 34 HA PHE 34 -18.384 -0.886 4.164 273 HB2 PHE 34 2HB PHE 34 -16.405 -2.298 4.607 274 HB3 PHE 34 1HB PHE 34 -15.541 -1.498 3.309 275 HD1 PHE 34 1HD PHE 34 -17.237 -0.759 6.542 276 HD2 PHE 34 2HD PHE 34 -14.207 0.347 3.769 277 HE1 PHE 34 1HE PHE 34 -16.416 0.946 8.118 278 HE2 PHE 34 2HE PHE 34 -13.384 2.046 5.335 279 HZ PHE 34 HZ PHE 34 -14.488 2.347 7.516 280 H ALA 35 H ALA 35 -16.764 -0.619 1.084 281 HA ALA 35 HA ALA 35 -16.353 2.168 1.145 282 HB1 ALA 35 1HB ALA 35 -16.030 2.001 -1.267 283 HB2 ALA 35 2HB ALA 35 -16.703 0.370 -1.252 284 HB3 ALA 35 3HB ALA 35 -15.180 0.703 -0.429 285 H ILE 36 H ILE 36 -18.957 0.196 -0.210 286 HA ILE 36 HA ILE 36 -20.545 2.255 -1.265 287 HB ILE 36 HB ILE 36 -21.492 -0.382 -0.098 288 HG12 ILE 36 2HG1 ILE 36 -19.906 -0.744 -1.914 289 HG13 ILE 36 1HG1 ILE 36 -21.526 -1.192 -2.428 290 HG21 ILE 36 1HG2 ILE 36 -22.952 1.495 -1.958 291 HG22 ILE 36 2HG2 ILE 36 -23.357 1.156 -0.276 292 HG23 ILE 36 3HG2 ILE 36 -23.499 -0.116 -1.489 293 HD11 ILE 36 3HD1 ILE 36 -21.708 0.928 -3.635 294 HD12 ILE 36 1HD1 ILE 36 -20.349 -0.046 -4.192 295 HD13 ILE 36 2HD1 ILE 36 -20.062 1.337 -3.141 296 H LYS 37 H LYS 37 -20.704 0.742 1.954 297 HA LYS 37 HA LYS 37 -22.929 2.268 2.801 298 HB2 LYS 37 2HB LYS 37 -22.510 1.411 5.033 299 HB3 LYS 37 1HB LYS 37 -22.340 0.128 3.847 300 HG2 LYS 37 2HG LYS 37 -19.902 0.402 3.941 301 HG3 LYS 37 1HG LYS 37 -20.102 1.604 5.210 302 HD2 LYS 37 2HD LYS 37 -21.003 -1.277 5.375 303 HD3 LYS 37 1HD LYS 37 -19.532 -0.630 6.094 304 HE2 LYS 37 2HE LYS 37 -20.864 0.852 7.514 305 HE3 LYS 37 1HE LYS 37 -22.343 0.247 6.773 306 HZ1 LYS 37 3HZ LYS 37 -20.423 -1.363 8.369 307 HZ2 LYS 37 1HZ LYS 37 -21.823 -1.951 7.633 308 HZ3 LYS 37 2HZ LYS 37 -21.939 -0.835 8.873 309 H SER 38 H SER 38 -19.558 3.012 2.748 310 HA SER 38 HA SER 38 -19.953 5.255 4.568 311 HB2 SER 38 2HB SER 38 -17.409 4.279 3.269 312 HB3 SER 38 1HB SER 38 -17.539 5.406 4.627 313 HG SER 38 HG SER 38 -17.816 2.655 4.516 314 H GLY 39 H GLY 39 -19.935 4.627 1.212 315 HA2 GLY 39 2HA GLY 39 -20.365 6.119 -0.516 316 HA3 GLY 39 1HA GLY 39 -20.134 7.449 0.611 317 H ILE 40 H ILE 40 -17.883 4.856 0.018 318 HA ILE 40 HA ILE 40 -15.824 6.809 -0.695 319 HB ILE 40 HB ILE 40 -15.613 3.825 -0.109 320 HG12 ILE 40 2HG1 ILE 40 -14.871 6.188 1.631 321 HG13 ILE 40 1HG1 ILE 40 -16.312 5.203 1.833 322 HG21 ILE 40 1HG2 ILE 40 -13.206 4.173 0.056 323 HG22 ILE 40 2HG2 ILE 40 -13.401 5.868 -0.380 324 HG23 ILE 40 3HG2 ILE 40 -13.784 4.605 -1.554 325 HD11 ILE 40 3HD1 ILE 40 -14.904 3.269 2.340 326 HD12 ILE 40 1HD1 ILE 40 -14.566 4.610 3.431 327 HD13 ILE 40 2HD1 ILE 40 -13.461 4.253 2.100 328 H ASP 41 H ASP 41 -14.667 6.667 -2.700 329 HA ASP 41 HA ASP 41 -16.251 5.484 -4.765 330 HB2 ASP 41 2HB ASP 41 -14.849 6.613 -6.415 331 HB3 ASP 41 1HB ASP 41 -15.352 7.745 -5.179 332 H ILE 42 H ILE 42 -16.143 3.450 -4.466 333 HA ILE 42 HA ILE 42 -13.644 1.977 -4.736 334 HB ILE 42 HB ILE 42 -15.400 1.178 -3.179 335 HG12 ILE 42 2HG1 ILE 42 -15.586 -1.195 -3.956 336 HG13 ILE 42 1HG1 ILE 42 -14.883 -0.693 -5.489 337 HG21 ILE 42 1HG2 ILE 42 -17.120 0.777 -5.609 338 HG22 ILE 42 2HG2 ILE 42 -17.392 1.920 -4.291 339 HG23 ILE 42 3HG2 ILE 42 -17.494 0.186 -3.990 340 HD11 ILE 42 3HD1 ILE 42 -12.851 0.013 -4.308 341 HD12 ILE 42 1HD1 ILE 42 -13.221 -1.695 -4.049 342 HD13 ILE 42 2HD1 ILE 42 -13.581 -0.515 -2.788 343 H ASP 43 H ASP 43 -16.157 3.242 -6.539 344 HA ASP 43 HA ASP 43 -16.530 1.659 -8.759 345 HB2 ASP 43 2HB ASP 43 -16.482 4.684 -8.715 346 HB3 ASP 43 1HB ASP 43 -17.431 3.642 -9.768 347 H SER 44 H SER 44 -14.300 4.365 -8.216 348 HA SER 44 HA SER 44 -13.012 4.497 -10.666 349 HB2 SER 44 2HB SER 44 -11.693 5.017 -8.025 350 HB3 SER 44 1HB SER 44 -11.530 5.904 -9.542 351 HG SER 44 HG SER 44 -12.979 6.564 -7.598 352 H ALA 45 H ALA 45 -12.533 2.370 -7.934 353 HA ALA 45 HA ALA 45 -9.936 1.505 -8.693 354 HB1 ALA 45 1HB ALA 45 -10.173 -0.129 -6.875 355 HB2 ALA 45 2HB ALA 45 -11.876 0.299 -6.720 356 HB3 ALA 45 3HB ALA 45 -10.629 1.492 -6.351 357 H LEU 46 H LEU 46 -13.137 0.054 -8.652 358 HA LEU 46 HA LEU 46 -12.549 -2.374 -9.905 359 HB2 LEU 46 2HB LEU 46 -15.067 -0.739 -10.064 360 HB3 LEU 46 1HB LEU 46 -14.940 -2.447 -10.429 361 HG LEU 46 HG LEU 46 -14.559 -1.153 -7.727 362 HD11 LEU 46 1HD1 LEU 46 -16.768 -2.895 -8.786 363 HD12 LEU 46 2HD1 LEU 46 -16.865 -1.180 -8.372 364 HD13 LEU 46 3HD1 LEU 46 -16.587 -2.378 -7.110 365 HD21 LEU 46 3HD2 LEU 46 -13.093 -3.077 -7.930 366 HD22 LEU 46 1HD2 LEU 46 -14.427 -4.070 -8.509 367 HD23 LEU 46 2HD2 LEU 46 -14.441 -3.456 -6.860 368 H ASP 47 H ASP 47 -13.428 0.732 -11.169 369 HA ASP 47 HA ASP 47 -13.704 0.232 -13.880 370 HB2 ASP 47 2HB ASP 47 -14.322 2.334 -12.867 371 HB3 ASP 47 1HB ASP 47 -12.648 2.674 -12.459 372 H ARG 48 H ARG 48 -10.723 0.856 -12.049 373 HA ARG 48 HA ARG 48 -9.163 0.832 -14.479 374 HB2 ARG 48 2HB ARG 48 -8.315 1.062 -11.643 375 HB3 ARG 48 1HB ARG 48 -7.176 1.043 -12.984 376 HG2 ARG 48 2HG ARG 48 -8.341 3.017 -13.955 377 HG3 ARG 48 1HG ARG 48 -9.389 2.945 -12.521 378 HD2 ARG 48 2HD ARG 48 -7.687 3.488 -11.074 379 HD3 ARG 48 1HD ARG 48 -6.429 3.279 -12.298 380 HE ARG 48 HE ARG 48 -6.697 5.458 -12.731 381 HH11 ARG 48 1HH1 ARG 48 -9.956 4.380 -11.664 382 HH12 ARG 48 2HH1 ARG 48 -10.649 5.910 -11.961 383 HH21 ARG 48 1HH2 ARG 48 -7.695 7.463 -13.069 384 HH22 ARG 48 2HH2 ARG 48 -9.346 7.711 -12.777 385 H GLY 49 H GLY 49 -10.264 -1.550 -12.438 386 HA2 GLY 49 2HA GLY 49 -9.957 -3.724 -13.678 387 HA3 GLY 49 1HA GLY 49 -8.247 -3.344 -13.638 388 H VAL 50 H VAL 50 -9.899 -2.504 -10.772 389 HA VAL 50 HA VAL 50 -8.605 -4.647 -9.376 390 HB VAL 50 HB VAL 50 -10.594 -2.581 -8.362 391 HG11 VAL 50 1HG1 VAL 50 -8.748 -4.420 -6.836 392 HG12 VAL 50 2HG1 VAL 50 -10.507 -4.535 -6.910 393 HG13 VAL 50 3HG1 VAL 50 -9.741 -3.139 -6.140 394 HG21 VAL 50 3HG2 VAL 50 -8.564 -1.566 -9.208 395 HG22 VAL 50 1HG2 VAL 50 -7.587 -2.625 -8.197 396 HG23 VAL 50 2HG2 VAL 50 -8.645 -1.436 -7.448 397 H ILE 51 H ILE 51 -9.466 -6.574 -8.994 398 HA ILE 51 HA ILE 51 -12.240 -6.955 -9.805 399 HB ILE 51 HB ILE 51 -11.715 -9.396 -9.814 400 HG12 ILE 51 2HG1 ILE 51 -8.860 -8.466 -9.371 401 HG13 ILE 51 1HG1 ILE 51 -9.835 -9.342 -8.206 402 HG21 ILE 51 1HG2 ILE 51 -10.385 -9.344 -11.886 403 HG22 ILE 51 2HG2 ILE 51 -9.984 -7.657 -11.562 404 HG23 ILE 51 3HG2 ILE 51 -11.658 -8.122 -11.864 405 HD11 ILE 51 3HD1 ILE 51 -8.226 -10.791 -9.318 406 HD12 ILE 51 1HD1 ILE 51 -8.933 -10.386 -10.881 407 HD13 ILE 51 2HD1 ILE 51 -9.882 -11.274 -9.686 408 H VAL 52 H VAL 52 -13.716 -7.946 -8.554 409 HA VAL 52 HA VAL 52 -13.267 -7.670 -5.697 410 HB VAL 52 HB VAL 52 -15.812 -8.468 -7.152 411 HG11 VAL 52 1HG1 VAL 52 -15.827 -9.060 -4.803 412 HG12 VAL 52 2HG1 VAL 52 -16.952 -7.735 -5.108 413 HG13 VAL 52 3HG1 VAL 52 -15.389 -7.411 -4.360 414 HG21 VAL 52 3HG2 VAL 52 -15.099 -6.273 -7.916 415 HG22 VAL 52 1HG2 VAL 52 -14.948 -5.727 -6.248 416 HG23 VAL 52 2HG2 VAL 52 -16.536 -6.139 -6.902 417 H ARG 53 H ARG 53 -13.106 -9.395 -4.318 418 HA ARG 53 HA ARG 53 -13.666 -12.035 -5.473 419 HB2 ARG 53 2HB ARG 53 -11.168 -11.406 -5.101 420 HB3 ARG 53 1HB ARG 53 -11.537 -11.644 -3.395 421 HG2 ARG 53 2HG ARG 53 -10.729 -13.713 -4.034 422 HG3 ARG 53 1HG ARG 53 -12.474 -13.926 -4.154 423 HD2 ARG 53 2HD ARG 53 -10.473 -13.555 -6.380 424 HD3 ARG 53 1HD ARG 53 -11.594 -14.887 -6.130 425 HE ARG 53 HE ARG 53 -12.565 -12.189 -6.806 426 HH11 ARG 53 1HH1 ARG 53 -12.473 -15.633 -7.594 427 HH12 ARG 53 2HH1 ARG 53 -13.540 -15.491 -8.904 428 HH21 ARG 53 1HH2 ARG 53 -13.976 -11.977 -8.567 429 HH22 ARG 53 2HH2 ARG 53 -14.406 -13.320 -9.513 430 H ALA 54 H ALA 54 -15.094 -13.133 -4.406 431 HA ALA 54 HA ALA 54 -15.897 -12.270 -1.740 432 HB1 ALA 54 1HB ALA 54 -17.630 -12.566 -3.457 433 HB2 ALA 54 2HB ALA 54 -17.845 -13.681 -2.106 434 HB3 ALA 54 3HB ALA 54 -17.164 -14.259 -3.627 435 H PHE 55 H PHE 55 -14.892 -13.254 -0.123 436 HA PHE 55 HA PHE 55 -13.538 -15.744 -0.426 437 HB2 PHE 55 2HB PHE 55 -12.957 -13.889 1.227 438 HB3 PHE 55 1HB PHE 55 -14.357 -14.392 2.165 439 HD1 PHE 55 1HD PHE 55 -11.016 -15.328 1.003 440 HD2 PHE 55 2HD PHE 55 -14.300 -16.385 3.476 441 HE1 PHE 55 1HE PHE 55 -9.623 -17.007 2.118 442 HE2 PHE 55 2HE PHE 55 -12.921 -18.063 4.587 443 HZ PHE 55 HZ PHE 55 -10.573 -18.383 3.919 444 H SER 56 H SER 56 -14.250 -17.812 0.323 445 HA SER 56 HA SER 56 -17.016 -18.115 -0.106 446 HB2 SER 56 2HB SER 56 -15.007 -20.191 0.769 447 HB3 SER 56 1HB SER 56 -16.624 -20.508 0.146 448 HG SER 56 HG SER 56 -14.380 -19.441 -1.174 449 H HIS 57 H HIS 57 -15.138 -18.990 2.916 450 HA HIS 57 HA HIS 57 -16.850 -17.787 4.683 451 HB2 HIS 57 2HB HIS 57 -18.276 -19.612 5.629 452 HB3 HIS 57 1HB HIS 57 -18.722 -19.166 3.992 453 HD1 HIS 57 1HD HIS 57 -19.099 -21.931 5.727 454 HD2 HIS 57 2HD HIS 57 -16.728 -21.296 2.393 455 HE1 HIS 57 1HE HIS 57 -18.862 -24.169 4.632 456 HE2 HIS 57 2HE HIS 57 -17.125 -23.787 2.885 457 H LYS 58 H LYS 58 -15.213 -17.397 5.936 458 HA LYS 58 HA LYS 58 -14.447 -19.556 7.725 459 HB2 LYS 58 2HB LYS 58 -12.539 -17.589 6.447 460 HB3 LYS 58 1HB LYS 58 -12.221 -18.236 8.034 461 HG2 LYS 58 2HG LYS 58 -12.650 -19.993 5.631 462 HG3 LYS 58 1HG LYS 58 -11.062 -19.421 6.163 463 HD2 LYS 58 2HD LYS 58 -11.449 -20.484 8.360 464 HD3 LYS 58 1HD LYS 58 -13.001 -21.084 7.784 465 HE2 LYS 58 2HE LYS 58 -10.325 -21.759 6.566 466 HE3 LYS 58 1HE LYS 58 -11.203 -22.781 7.698 467 HZ1 LYS 58 3HZ LYS 58 -12.135 -21.977 4.991 468 HZ2 LYS 58 1HZ LYS 58 -13.004 -22.921 6.102 469 HZ3 LYS 58 2HZ LYS 58 -11.563 -23.483 5.463 470 HA PRO 59 HA PRO 59 -15.699 -16.490 10.763 471 HB2 PRO 59 2HB PRO 59 -13.760 -17.926 12.513 472 HB3 PRO 59 1HB PRO 59 -15.473 -17.599 12.792 473 HG2 PRO 59 2HG PRO 59 -14.637 -20.061 12.189 474 HG3 PRO 59 1HG PRO 59 -16.163 -19.428 11.547 475 HD2 PRO 59 2HD PRO 59 -13.516 -19.727 10.190 476 HD3 PRO 59 1HD PRO 59 -15.154 -20.015 9.570 477 HA PRO 60 HA PRO 60 -12.376 -13.655 10.067 478 HB2 PRO 60 2HB PRO 60 -12.759 -11.924 12.176 479 HB3 PRO 60 1HB PRO 60 -13.691 -11.895 10.675 480 HG2 PRO 60 2HG PRO 60 -14.392 -13.125 13.310 481 HG3 PRO 60 1HG PRO 60 -15.412 -12.205 12.189 482 HD2 PRO 60 2HD PRO 60 -15.544 -14.873 12.325 483 HD3 PRO 60 1HD PRO 60 -15.716 -14.018 10.778 484 H LYS 61 H LYS 61 -10.336 -13.742 10.454 485 HA LYS 61 HA LYS 61 -9.323 -14.595 13.085 486 HB2 LYS 61 2HB LYS 61 -7.984 -14.813 10.352 487 HB3 LYS 61 1HB LYS 61 -7.388 -15.500 11.863 488 HG2 LYS 61 2HG LYS 61 -9.264 -17.015 11.966 489 HG3 LYS 61 1HG LYS 61 -9.977 -16.289 10.532 490 HD2 LYS 61 2HD LYS 61 -8.966 -18.366 9.901 491 HD3 LYS 61 1HD LYS 61 -7.964 -17.070 9.257 492 HE2 LYS 61 2HE LYS 61 -6.361 -17.372 11.022 493 HE3 LYS 61 1HE LYS 61 -7.419 -18.539 11.825 494 HZ1 LYS 61 3HZ LYS 61 -6.188 -18.923 9.144 495 HZ2 LYS 61 1HZ LYS 61 -7.143 -20.034 9.959 496 HZ3 LYS 61 2HZ LYS 61 -5.643 -19.623 10.561 497 H VAL 62 H VAL 62 -8.568 -12.856 14.170 498 HA VAL 62 HA VAL 62 -7.337 -10.632 12.720 499 HB VAL 62 HB VAL 62 -8.847 -8.985 13.794 500 HG11 VAL 62 1HG1 VAL 62 -10.327 -10.975 12.076 501 HG12 VAL 62 2HG1 VAL 62 -9.294 -9.680 11.482 502 HG13 VAL 62 3HG1 VAL 62 -10.791 -9.294 12.341 503 HG21 VAL 62 3HG2 VAL 62 -9.635 -10.311 15.670 504 HG22 VAL 62 1HG2 VAL 62 -10.505 -11.384 14.574 505 HG23 VAL 62 2HG2 VAL 62 -11.002 -9.699 14.740 506 H GLY 63 H GLY 63 -6.312 -9.071 14.191 507 HA2 GLY 63 2HA GLY 63 -5.784 -10.115 16.846 508 HA3 GLY 63 1HA GLY 63 -5.052 -8.688 16.092 509 H ASN 64 H ASN 64 -6.566 -6.935 15.584 510 HA ASN 64 HA ASN 64 -8.835 -6.721 17.493 511 HB2 ASN 64 2HB ASN 64 -6.983 -5.298 18.280 512 HB3 ASN 64 1HB ASN 64 -6.887 -4.524 16.705 513 HD21 ASN 64 1HD2 ASN 64 -8.746 -4.803 19.650 514 HD22 ASN 64 2HD2 ASN 64 -9.652 -3.358 19.446 515 H LEU 65 H LEU 65 -7.932 -6.892 14.431 516 HA LEU 65 HA LEU 65 -9.176 -4.922 12.949 517 HB2 LEU 65 2HB LEU 65 -8.783 -7.796 12.211 518 HB3 LEU 65 1HB LEU 65 -9.040 -6.462 11.114 519 HG LEU 65 HG LEU 65 -6.686 -6.690 12.950 520 HD11 LEU 65 1HD1 LEU 65 -5.429 -7.312 10.984 521 HD12 LEU 65 2HD1 LEU 65 -6.903 -7.314 10.013 522 HD13 LEU 65 3HD1 LEU 65 -6.689 -8.493 11.308 523 HD21 LEU 65 3HD2 LEU 65 -7.379 -4.842 10.683 524 HD22 LEU 65 1HD2 LEU 65 -5.791 -4.941 11.447 525 HD23 LEU 65 2HD2 LEU 65 -7.191 -4.430 12.386 526 HA PRO 66 HA PRO 66 -13.507 -6.217 12.962 527 HB2 PRO 66 2HB PRO 66 -13.809 -4.586 10.545 528 HB3 PRO 66 1HB PRO 66 -14.529 -4.337 12.136 529 HG2 PRO 66 2HG PRO 66 -12.606 -2.712 11.146 530 HG3 PRO 66 1HG PRO 66 -12.776 -3.050 12.878 531 HD2 PRO 66 2HD PRO 66 -10.856 -4.216 10.900 532 HD3 PRO 66 1HD PRO 66 -10.593 -3.677 12.579 533 H GLN 67 H GLN 67 -14.978 -7.242 11.339 534 HA GLN 67 HA GLN 67 -13.645 -9.288 10.041 535 HB2 GLN 67 2HB GLN 67 -15.976 -9.802 8.960 536 HB3 GLN 67 1HB GLN 67 -15.706 -10.038 10.670 537 HG2 GLN 67 2HG GLN 67 -17.877 -9.050 10.274 538 HG3 GLN 67 1HG GLN 67 -16.853 -7.923 11.140 539 HE21 GLN 67 1HE2 GLN 67 -18.505 -8.601 8.182 540 HE22 GLN 67 2HE2 GLN 67 -18.354 -7.034 7.500 541 H TYR 68 H TYR 68 -14.778 -6.339 8.567 542 HA TYR 68 HA TYR 68 -14.368 -7.252 5.963 543 HB2 TYR 68 2HB TYR 68 -14.191 -4.758 5.311 544 HB3 TYR 68 1HB TYR 68 -15.689 -5.338 6.001 545 HD1 TYR 68 2HD TYR 68 -12.526 -3.585 6.972 546 HD2 TYR 68 1HD TYR 68 -16.657 -4.182 7.752 547 HE1 TYR 68 2HE TYR 68 -12.473 -1.771 8.620 548 HE2 TYR 68 1HE TYR 68 -16.615 -2.370 9.403 549 HH TYR 68 HH TYR 68 -13.983 -0.219 9.703 550 H GLU 69 H GLU 69 -12.005 -5.865 8.175 551 HA GLU 69 HA GLU 69 -9.934 -5.666 6.206 552 HB2 GLU 69 2HB GLU 69 -9.645 -6.031 9.195 553 HB3 GLU 69 1HB GLU 69 -8.387 -5.504 8.098 554 HG2 GLU 69 2HG GLU 69 -10.885 -3.974 8.803 555 HG3 GLU 69 1HG GLU 69 -9.281 -3.682 9.454 556 H SER 70 H SER 70 -11.098 -8.100 8.410 557 HA SER 70 HA SER 70 -8.990 -9.932 8.230 558 HB2 SER 70 2HB SER 70 -10.866 -9.962 9.931 559 HB3 SER 70 1HB SER 70 -11.901 -10.621 8.673 560 HG SER 70 HG SER 70 -9.521 -11.783 9.697 561 H GLU 71 H GLU 71 -11.948 -9.564 6.259 562 HA GLU 71 HA GLU 71 -11.551 -11.895 4.732 563 HB2 GLU 71 2HB GLU 71 -13.719 -10.705 4.790 564 HB3 GLU 71 1HB GLU 71 -13.010 -9.366 3.898 565 HG2 GLU 71 2HG GLU 71 -12.680 -10.762 1.965 566 HG3 GLU 71 1HG GLU 71 -13.203 -12.186 2.851 567 H ALA 72 H ALA 72 -10.354 -8.621 4.374 568 HA ALA 72 HA ALA 72 -9.187 -8.899 1.819 569 HB1 ALA 72 1HB ALA 72 -9.480 -6.732 2.937 570 HB2 ALA 72 2HB ALA 72 -7.808 -6.981 2.434 571 HB3 ALA 72 3HB ALA 72 -8.261 -7.187 4.127 572 H ILE 73 H ILE 73 -7.802 -9.347 5.043 573 HA ILE 73 HA ILE 73 -5.295 -10.295 4.224 574 HB ILE 73 HB ILE 73 -6.799 -11.081 6.736 575 HG12 ILE 73 2HG1 ILE 73 -4.806 -8.865 6.237 576 HG13 ILE 73 1HG1 ILE 73 -6.529 -8.661 6.556 577 HG21 ILE 73 1HG2 ILE 73 -3.846 -11.243 6.095 578 HG22 ILE 73 2HG2 ILE 73 -4.951 -12.604 6.275 579 HG23 ILE 73 3HG2 ILE 73 -4.575 -11.587 7.665 580 HD11 ILE 73 3HD1 ILE 73 -6.193 -9.629 8.788 581 HD12 ILE 73 1HD1 ILE 73 -5.224 -8.176 8.525 582 HD13 ILE 73 2HD1 ILE 73 -4.468 -9.768 8.437 583 H MET 74 H MET 74 -8.278 -12.073 4.903 584 HA MET 74 HA MET 74 -7.243 -14.674 4.607 585 HB2 MET 74 2HB MET 74 -10.042 -13.676 4.129 586 HB3 MET 74 1HB MET 74 -9.592 -15.366 4.142 587 HG2 MET 74 2HG MET 74 -9.287 -13.506 6.494 588 HG3 MET 74 1HG MET 74 -10.682 -14.534 6.226 589 HE1 MET 74 3HE MET 74 -7.115 -14.192 7.599 590 HE2 MET 74 1HE MET 74 -6.560 -15.154 6.234 591 HE3 MET 74 2HE MET 74 -6.552 -15.836 7.851 592 H VAL 75 H VAL 75 -8.720 -12.606 2.147 593 HA VAL 75 HA VAL 75 -8.412 -14.550 0.109 594 HB VAL 75 HB VAL 75 -8.719 -11.528 -0.126 595 HG11 VAL 75 1HG1 VAL 75 -9.320 -11.915 -2.481 596 HG12 VAL 75 2HG1 VAL 75 -8.931 -13.626 -2.295 597 HG13 VAL 75 3HG1 VAL 75 -7.659 -12.415 -2.155 598 HG21 VAL 75 3HG2 VAL 75 -10.645 -12.641 0.870 599 HG22 VAL 75 1HG2 VAL 75 -10.694 -13.785 -0.471 600 HG23 VAL 75 2HG2 VAL 75 -11.038 -12.087 -0.761 601 H ALA 76 H ALA 76 -6.343 -11.946 1.264 602 HA ALA 76 HA ALA 76 -4.327 -12.261 -0.691 603 HB1 ALA 76 1HB ALA 76 -4.551 -10.257 0.685 604 HB2 ALA 76 2HB ALA 76 -2.929 -10.940 0.792 605 HB3 ALA 76 3HB ALA 76 -4.077 -11.179 2.114 606 H PHE 77 H PHE 77 -5.047 -13.914 2.245 607 HA PHE 77 HA PHE 77 -2.568 -15.299 2.492 608 HB2 PHE 77 2HB PHE 77 -3.998 -14.960 4.440 609 HB3 PHE 77 1HB PHE 77 -5.299 -15.856 3.674 610 HD1 PHE 77 1HD PHE 77 -1.839 -16.203 4.961 611 HD2 PHE 77 2HD PHE 77 -5.490 -18.153 3.992 612 HE1 PHE 77 1HE PHE 77 -1.007 -18.266 6.005 613 HE2 PHE 77 2HE PHE 77 -4.661 -20.227 5.030 614 HZ PHE 77 HZ PHE 77 -2.418 -20.284 6.035 615 H GLU 78 H GLU 78 -5.659 -15.990 0.977 616 HA GLU 78 HA GLU 78 -5.112 -18.664 0.266 617 HB2 GLU 78 2HB GLU 78 -7.021 -16.612 -0.797 618 HB3 GLU 78 1HB GLU 78 -6.947 -18.254 -1.417 619 HG2 GLU 78 2HG GLU 78 -7.424 -17.523 1.435 620 HG3 GLU 78 1HG GLU 78 -8.707 -17.889 0.279 621 H LEU 79 H LEU 79 -4.750 -15.630 -1.417 622 HA LEU 79 HA LEU 79 -3.762 -16.945 -3.792 623 HB2 LEU 79 2HB LEU 79 -3.938 -14.022 -3.110 624 HB3 LEU 79 1HB LEU 79 -3.601 -14.691 -4.693 625 HG LEU 79 HG LEU 79 -6.191 -14.929 -3.165 626 HD11 LEU 79 1HD1 LEU 79 -5.507 -13.411 -5.671 627 HD12 LEU 79 2HD1 LEU 79 -5.829 -12.715 -4.082 628 HD13 LEU 79 3HD1 LEU 79 -7.112 -13.554 -4.953 629 HD21 LEU 79 3HD2 LEU 79 -7.053 -15.972 -5.235 630 HD22 LEU 79 1HD2 LEU 79 -5.818 -16.936 -4.418 631 HD23 LEU 79 2HD2 LEU 79 -5.391 -15.999 -5.856 632 H ASN 80 H ASN 80 -2.442 -15.707 -0.918 633 HA ASN 80 HA ASN 80 -0.478 -15.007 -0.175 634 HB2 ASN 80 2HB ASN 80 0.255 -17.362 -0.880 635 HB3 ASN 80 1HB ASN 80 0.810 -16.643 -2.388 636 HD21 ASN 80 1HD2 ASN 80 1.323 -16.785 1.057 637 HD22 ASN 80 2HD2 ASN 80 2.922 -16.153 1.060 638 H ALA 81 H ALA 81 -1.282 -13.146 -0.864 639 HA ALA 81 HA ALA 81 -0.190 -12.029 -3.337 640 HB1 ALA 81 1HB ALA 81 -2.608 -12.281 -3.259 641 HB2 ALA 81 2HB ALA 81 -2.124 -10.588 -3.351 642 HB3 ALA 81 3HB ALA 81 -2.665 -11.270 -1.816 643 H LEU 82 H LEU 82 -0.342 -9.567 -3.174 644 HA LEU 82 HA LEU 82 1.324 -8.667 -0.981 645 HB2 LEU 82 2HB LEU 82 1.719 -8.239 -3.488 646 HB3 LEU 82 1HB LEU 82 0.295 -7.238 -3.460 647 HG LEU 82 HG LEU 82 2.363 -5.934 -3.477 648 HD11 LEU 82 1HD1 LEU 82 1.947 -4.455 -1.632 649 HD12 LEU 82 2HD1 LEU 82 0.909 -5.663 -0.881 650 HD13 LEU 82 3HD1 LEU 82 0.434 -4.923 -2.421 651 HD21 LEU 82 3HD2 LEU 82 3.786 -7.502 -2.316 652 HD22 LEU 82 1HD2 LEU 82 2.918 -7.196 -0.814 653 HD23 LEU 82 2HD2 LEU 82 3.850 -5.904 -1.570 654 H LEU 83 H LEU 83 0.310 -7.559 0.674 655 HA LEU 83 HA LEU 83 -2.509 -6.918 0.214 656 HB2 LEU 83 2HB LEU 83 -2.023 -8.629 1.952 657 HB3 LEU 83 1HB LEU 83 -1.116 -7.433 2.843 658 HG LEU 83 HG LEU 83 -3.203 -6.088 3.065 659 HD11 LEU 83 1HD1 LEU 83 -5.339 -7.202 2.645 660 HD12 LEU 83 2HD1 LEU 83 -4.486 -8.548 1.898 661 HD13 LEU 83 3HD1 LEU 83 -4.427 -6.946 1.159 662 HD21 LEU 83 3HD2 LEU 83 -2.451 -7.532 4.862 663 HD22 LEU 83 1HD2 LEU 83 -3.294 -8.901 4.132 664 HD23 LEU 83 2HD2 LEU 83 -4.209 -7.527 4.750 665 H ILE 84 H ILE 84 -2.991 -4.882 0.086 666 HA ILE 84 HA ILE 84 -1.048 -2.870 0.931 667 HB ILE 84 HB ILE 84 -3.632 -2.499 -0.632 668 HG12 ILE 84 2HG1 ILE 84 -0.803 -2.721 -1.703 669 HG13 ILE 84 1HG1 ILE 84 -2.005 -4.000 -1.790 670 HG21 ILE 84 1HG2 ILE 84 -1.221 -0.702 -0.285 671 HG22 ILE 84 2HG2 ILE 84 -2.798 -0.462 0.463 672 HG23 ILE 84 3HG2 ILE 84 -2.627 -0.347 -1.289 673 HD11 ILE 84 3HD1 ILE 84 -2.227 -1.294 -3.088 674 HD12 ILE 84 1HD1 ILE 84 -3.405 -2.601 -3.204 675 HD13 ILE 84 2HD1 ILE 84 -1.798 -2.803 -3.898 676 H ALA 85 H ALA 85 -1.301 -2.151 2.977 677 HA ALA 85 HA ALA 85 -4.000 -1.650 3.944 678 HB1 ALA 85 1HB ALA 85 -3.490 -3.940 4.611 679 HB2 ALA 85 2HB ALA 85 -3.621 -2.857 5.998 680 HB3 ALA 85 3HB ALA 85 -2.033 -3.368 5.428 681 H GLU 86 H GLU 86 -4.116 0.026 5.292 682 HA GLU 86 HA GLU 86 -1.664 1.486 5.889 683 HB2 GLU 86 2HB GLU 86 -4.563 2.199 5.857 684 HB3 GLU 86 1HB GLU 86 -3.413 3.262 6.630 685 HG2 GLU 86 2HG GLU 86 -3.317 2.364 3.760 686 HG3 GLU 86 1HG GLU 86 -3.964 3.904 4.318 687 H ASP 87 H ASP 87 -4.018 -0.468 7.469 688 HA ASP 87 HA ASP 87 -3.525 0.768 10.048 689 HB2 ASP 87 2HB ASP 87 -5.821 -0.018 9.412 690 HB3 ASP 87 1HB ASP 87 -5.221 -1.666 9.443 691 H LYS 88 H LYS 88 -2.244 -0.033 11.558 692 HA LYS 88 HA LYS 88 -0.077 -1.603 10.975 693 HB2 LYS 88 2HB LYS 88 -0.041 -0.159 12.886 694 HB3 LYS 88 1HB LYS 88 -1.345 -1.057 13.652 695 HG2 LYS 88 2HG LYS 88 0.166 -3.056 13.683 696 HG3 LYS 88 1HG LYS 88 1.469 -1.996 13.155 697 HD2 LYS 88 2HD LYS 88 1.256 -0.683 15.166 698 HD3 LYS 88 1HD LYS 88 -0.156 -1.624 15.660 699 HE2 LYS 88 2HE LYS 88 2.641 -2.714 15.294 700 HE3 LYS 88 1HE LYS 88 1.865 -2.340 16.833 701 HZ1 LYS 88 3HZ LYS 88 0.876 -4.412 14.909 702 HZ2 LYS 88 1HZ LYS 88 0.228 -4.052 16.411 703 HZ3 LYS 88 2HZ LYS 88 1.759 -4.724 16.292 704 H ASP 89 H ASP 89 -3.112 -2.652 12.537 705 HA ASP 89 HA ASP 89 -1.972 -5.163 13.267 706 HB2 ASP 89 2HB ASP 89 -3.824 -4.023 14.538 707 HB3 ASP 89 1HB ASP 89 -4.936 -4.526 13.274 708 H VAL 90 H VAL 90 -3.697 -4.029 10.529 709 HA VAL 90 HA VAL 90 -4.378 -6.567 9.423 710 HB VAL 90 HB VAL 90 -3.645 -4.067 7.859 711 HG11 VAL 90 1HG1 VAL 90 -5.380 -6.424 7.132 712 HG12 VAL 90 2HG1 VAL 90 -3.765 -6.080 6.510 713 HG13 VAL 90 3HG1 VAL 90 -5.104 -5.002 6.126 714 HG21 VAL 90 3HG2 VAL 90 -5.979 -3.449 7.852 715 HG22 VAL 90 1HG2 VAL 90 -5.408 -3.603 9.514 716 HG23 VAL 90 2HG2 VAL 90 -6.385 -4.883 8.795 717 H ILE 91 H ILE 91 -1.649 -4.396 9.130 718 HA ILE 91 HA ILE 91 -0.155 -5.860 7.290 719 HB ILE 91 HB ILE 91 0.789 -3.876 9.375 720 HG12 ILE 91 2HG1 ILE 91 0.154 -3.480 6.443 721 HG13 ILE 91 1HG1 ILE 91 -0.901 -3.017 7.771 722 HG21 ILE 91 1HG2 ILE 91 2.783 -3.600 7.953 723 HG22 ILE 91 2HG2 ILE 91 2.198 -4.878 6.891 724 HG23 ILE 91 3HG2 ILE 91 2.646 -5.253 8.555 725 HD11 ILE 91 3HD1 ILE 91 0.301 -1.104 6.900 726 HD12 ILE 91 1HD1 ILE 91 1.841 -1.909 7.219 727 HD13 ILE 91 2HD1 ILE 91 0.788 -1.452 8.559 728 H ASN 92 H ASN 92 0.035 -5.754 10.863 729 HA ASN 92 HA ASN 92 2.110 -7.688 10.852 730 HB2 ASN 92 2HB ASN 92 1.865 -7.884 13.295 731 HB3 ASN 92 1HB ASN 92 2.094 -6.239 12.732 732 HD21 ASN 92 1HD2 ASN 92 -0.274 -8.495 14.060 733 HD22 ASN 92 2HD2 ASN 92 -1.365 -7.273 14.619 734 H LYS 93 H LYS 93 -1.357 -7.967 11.191 735 HA LYS 93 HA LYS 93 -1.225 -10.634 12.036 736 HB2 LYS 93 2HB LYS 93 -3.292 -9.248 12.264 737 HB3 LYS 93 1HB LYS 93 -3.523 -9.350 10.524 738 HG2 LYS 93 2HG LYS 93 -4.945 -10.960 11.649 739 HG3 LYS 93 1HG LYS 93 -3.695 -11.795 10.710 740 HD2 LYS 93 2HD LYS 93 -2.334 -11.878 12.875 741 HD3 LYS 93 1HD LYS 93 -3.809 -11.348 13.677 742 HE2 LYS 93 2HE LYS 93 -4.942 -13.314 12.963 743 HE3 LYS 93 1HE LYS 93 -3.568 -13.773 11.966 744 HZ1 LYS 93 3HZ LYS 93 -3.398 -15.013 13.993 745 HZ2 LYS 93 1HZ LYS 93 -3.612 -13.631 14.939 746 HZ3 LYS 93 2HZ LYS 93 -2.211 -13.811 14.064 747 H ALA 94 H ALA 94 -1.444 -9.185 8.844 748 HA ALA 94 HA ALA 94 -1.570 -11.614 7.406 749 HB1 ALA 94 1HB ALA 94 -0.954 -10.225 5.465 750 HB2 ALA 94 2HB ALA 94 -0.514 -8.923 6.570 751 HB3 ALA 94 3HB ALA 94 -2.189 -9.451 6.459 752 H LYS 95 H LYS 95 1.029 -9.618 8.603 753 HA LYS 95 HA LYS 95 3.257 -10.800 7.388 754 HB2 LYS 95 2HB LYS 95 3.070 -8.661 8.805 755 HB3 LYS 95 1HB LYS 95 3.146 -9.704 10.204 756 HG2 LYS 95 2HG LYS 95 5.315 -8.800 9.865 757 HG3 LYS 95 1HG LYS 95 5.375 -10.499 9.404 758 HD2 LYS 95 2HD LYS 95 6.601 -9.160 7.789 759 HD3 LYS 95 1HD LYS 95 5.170 -9.841 7.026 760 HE2 LYS 95 2HE LYS 95 5.459 -7.534 6.334 761 HE3 LYS 95 1HE LYS 95 4.006 -7.665 7.310 762 HZ1 LYS 95 3HZ LYS 95 6.650 -6.635 8.237 763 HZ2 LYS 95 1HZ LYS 95 5.276 -6.710 9.209 764 HZ3 LYS 95 2HZ LYS 95 5.335 -5.696 7.874 765 H GLU 96 H GLU 96 1.529 -11.575 10.382 766 HA GLU 96 HA GLU 96 3.049 -13.753 11.340 767 HB2 GLU 96 2HB GLU 96 0.086 -13.215 11.569 768 HB3 GLU 96 1HB GLU 96 0.953 -14.429 12.487 769 HG2 GLU 96 2HG GLU 96 2.208 -12.706 13.627 770 HG3 GLU 96 1HG GLU 96 1.442 -11.464 12.632 771 H LEU 97 H LEU 97 0.495 -13.531 8.980 772 HA LEU 97 HA LEU 97 0.211 -16.392 8.792 773 HB2 LEU 97 2HB LEU 97 -1.127 -14.175 7.252 774 HB3 LEU 97 1HB LEU 97 -1.526 -15.876 7.121 775 HG LEU 97 HG LEU 97 -1.837 -14.207 9.621 776 HD11 LEU 97 1HD1 LEU 97 -3.431 -13.584 7.896 777 HD12 LEU 97 2HD1 LEU 97 -4.212 -14.402 9.243 778 HD13 LEU 97 3HD1 LEU 97 -3.926 -15.271 7.730 779 HD21 LEU 97 3HD2 LEU 97 -2.611 -17.064 9.031 780 HD22 LEU 97 1HD2 LEU 97 -3.086 -16.153 10.466 781 HD23 LEU 97 2HD2 LEU 97 -1.389 -16.507 10.181 782 H GLY 98 H GLY 98 2.325 -14.211 7.498 783 HA2 GLY 98 2HA GLY 98 4.100 -14.810 6.072 784 HA3 GLY 98 1HA GLY 98 3.168 -16.202 5.535 785 H VAL 99 H VAL 99 1.639 -13.143 5.604 786 HA VAL 99 HA VAL 99 1.673 -13.062 2.675 787 HB VAL 99 HB VAL 99 -0.243 -11.818 4.664 788 HG11 VAL 99 1HG1 VAL 99 -1.670 -11.316 2.739 789 HG12 VAL 99 2HG1 VAL 99 -0.428 -11.951 1.656 790 HG13 VAL 99 3HG1 VAL 99 -0.109 -10.504 2.614 791 HG21 VAL 99 3HG2 VAL 99 -0.616 -14.213 2.880 792 HG22 VAL 99 1HG2 VAL 99 -1.880 -13.464 3.858 793 HG23 VAL 99 2HG2 VAL 99 -0.489 -14.214 4.641 794 H ASN 100 H ASN 100 2.432 -11.178 1.690 795 HA ASN 100 HA ASN 100 3.883 -9.419 3.461 796 HB2 ASN 100 2HB ASN 100 5.053 -10.171 1.434 797 HB3 ASN 100 1HB ASN 100 3.802 -9.416 0.440 798 HD21 ASN 100 1HD2 ASN 100 5.409 -8.156 -0.543 799 HD22 ASN 100 2HD2 ASN 100 6.045 -6.748 0.231 800 H ALA 101 H ALA 101 2.500 -8.219 4.464 801 HA ALA 101 HA ALA 101 0.691 -6.501 2.945 802 HB1 ALA 101 1HB ALA 101 0.997 -6.932 5.913 803 HB2 ALA 101 2HB ALA 101 -0.239 -7.654 4.885 804 HB3 ALA 101 3HB ALA 101 -0.218 -5.907 5.146 805 H ILE 102 H ILE 102 1.120 -4.422 2.663 806 HA ILE 102 HA ILE 102 3.204 -3.185 4.249 807 HB ILE 102 HB ILE 102 4.090 -2.054 2.137 808 HG12 ILE 102 2HG1 ILE 102 3.978 -3.557 0.041 809 HG13 ILE 102 1HG1 ILE 102 2.585 -4.306 0.803 810 HG21 ILE 102 1HG2 ILE 102 4.670 -4.959 2.545 811 HG22 ILE 102 2HG2 ILE 102 5.462 -3.570 3.305 812 HG23 ILE 102 3HG2 ILE 102 5.652 -3.858 1.580 813 HD11 ILE 102 3HD1 ILE 102 2.837 -1.403 0.055 814 HD12 ILE 102 1HD1 ILE 102 1.422 -2.169 0.770 815 HD13 ILE 102 2HD1 ILE 102 1.945 -2.620 -0.854 816 HA PRO 103 HA PRO 103 0.457 0.328 4.117 817 HB2 PRO 103 2HB PRO 103 2.786 2.125 4.089 818 HB3 PRO 103 1HB PRO 103 1.565 1.917 5.347 819 HG2 PRO 103 2HG PRO 103 4.095 1.080 5.670 820 HG3 PRO 103 1HG PRO 103 2.719 0.201 6.361 821 HD2 PRO 103 2HD PRO 103 4.301 -0.398 3.892 822 HD3 PRO 103 1HD PRO 103 3.705 -1.499 5.156 823 H ILE 104 H ILE 104 -0.064 2.193 2.800 824 HA ILE 104 HA ILE 104 0.049 1.698 0.071 825 HB ILE 104 HB ILE 104 -0.687 4.169 1.627 826 HG12 ILE 104 2HG1 ILE 104 -2.304 2.134 0.089 827 HG13 ILE 104 1HG1 ILE 104 -2.117 2.202 1.834 828 HG21 ILE 104 1HG2 ILE 104 -1.667 5.128 -0.411 829 HG22 ILE 104 2HG2 ILE 104 -0.957 3.824 -1.363 830 HG23 ILE 104 3HG2 ILE 104 0.086 4.984 -0.541 831 HD11 ILE 104 3HD1 ILE 104 -3.265 4.337 1.883 832 HD12 ILE 104 1HD1 ILE 104 -4.258 3.105 1.102 833 HD13 ILE 104 2HD1 ILE 104 -3.401 4.306 0.129 834 H GLU 105 H GLU 105 2.132 3.795 1.990 835 HA GLU 105 HA GLU 105 3.353 5.080 -0.192 836 HB2 GLU 105 2HB GLU 105 3.537 5.875 2.172 837 HB3 GLU 105 1HB GLU 105 4.662 4.554 2.482 838 HG2 GLU 105 2HG GLU 105 6.148 5.448 0.735 839 HG3 GLU 105 1HG GLU 105 5.040 6.793 0.505 840 H GLU 106 H GLU 106 4.007 1.981 1.326 841 HA GLU 106 HA GLU 106 6.463 1.695 -0.092 842 HB2 GLU 106 2HB GLU 106 4.833 -0.289 1.439 843 HB3 GLU 106 1HB GLU 106 6.301 -0.736 0.577 844 HG2 GLU 106 2HG GLU 106 7.436 1.094 1.913 845 HG3 GLU 106 1HG GLU 106 5.988 1.102 2.913 846 H LEU 107 H LEU 107 3.168 0.917 -0.695 847 HA LEU 107 HA LEU 107 3.626 -0.736 -2.950 848 HB2 LEU 107 2HB LEU 107 1.432 -0.498 -1.698 849 HB3 LEU 107 1HB LEU 107 1.256 1.087 -2.392 850 HG LEU 107 HG LEU 107 -0.175 -0.700 -3.419 851 HD11 LEU 107 1HD1 LEU 107 0.170 -0.065 -5.739 852 HD12 LEU 107 2HD1 LEU 107 1.726 0.652 -5.302 853 HD13 LEU 107 3HD1 LEU 107 0.235 1.324 -4.652 854 HD21 LEU 107 3HD2 LEU 107 2.441 -1.725 -4.508 855 HD22 LEU 107 1HD2 LEU 107 0.836 -2.270 -4.990 856 HD23 LEU 107 2HD2 LEU 107 1.400 -2.548 -3.343 857 H LEU 108 H LEU 108 3.305 2.720 -2.451 858 HA LEU 108 HA LEU 108 3.546 3.562 -5.145 859 HB2 LEU 108 2HB LEU 108 4.374 4.986 -2.617 860 HB3 LEU 108 1HB LEU 108 4.212 5.736 -4.181 861 HG LEU 108 HG LEU 108 1.934 4.536 -2.601 862 HD11 LEU 108 1HD1 LEU 108 1.312 6.835 -2.134 863 HD12 LEU 108 2HD1 LEU 108 2.691 7.412 -3.053 864 HD13 LEU 108 3HD1 LEU 108 2.949 6.536 -1.550 865 HD21 LEU 108 3HD2 LEU 108 1.510 4.510 -5.020 866 HD22 LEU 108 1HD2 LEU 108 1.956 6.212 -5.126 867 HD23 LEU 108 2HD2 LEU 108 0.517 5.740 -4.243 868 H ALA 109 H ALA 109 5.910 3.084 -2.549 869 HA ALA 109 HA ALA 109 8.171 3.887 -4.022 870 HB1 ALA 109 1HB ALA 109 9.482 2.905 -2.230 871 HB2 ALA 109 2HB ALA 109 8.063 2.035 -1.647 872 HB3 ALA 109 3HB ALA 109 8.110 3.793 -1.565 873 H SER 110 H SER 110 6.408 0.939 -3.991 874 HA SER 110 HA SER 110 8.502 -0.686 -5.070 875 HB2 SER 110 2HB SER 110 5.512 -1.164 -5.021 876 HB3 SER 110 1HB SER 110 6.732 -2.373 -5.429 877 HG SER 110 HG SER 110 6.727 -0.941 -2.993 878 H SER 111 H SER 111 6.500 1.686 -6.335 879 HA SER 111 HA SER 111 6.635 0.790 -9.082 880 HB2 SER 111 2HB SER 111 5.916 3.505 -7.958 881 HB3 SER 111 1HB SER 111 5.423 2.835 -9.512 882 HG SER 111 HG SER 111 4.616 1.149 -7.686 883 H LEU 112 H LEU 112 8.082 2.010 -10.567 884 HA LEU 112 HA LEU 112 10.271 3.031 -9.030 885 HB2 LEU 112 2HB LEU 112 11.691 3.150 -11.003 886 HB3 LEU 112 1HB LEU 112 10.993 1.567 -10.848 887 HG LEU 112 HG LEU 112 10.089 3.658 -12.846 888 HD11 LEU 112 1HD1 LEU 112 11.308 2.311 -14.482 889 HD12 LEU 112 2HD1 LEU 112 11.893 1.265 -13.190 890 HD13 LEU 112 3HD1 LEU 112 12.391 2.954 -13.249 891 HD21 LEU 112 3HD2 LEU 112 8.357 2.017 -12.366 892 HD22 LEU 112 1HD2 LEU 112 9.512 0.704 -12.628 893 HD23 LEU 112 2HD2 LEU 112 9.039 1.746 -13.967 894 H GLU 113 H GLU 113 9.514 4.705 -8.122 895 HA GLU 113 HA GLU 113 8.421 7.011 -9.337 896 HB2 GLU 113 2HB GLU 113 10.172 6.860 -6.864 897 HB3 GLU 113 1HB GLU 113 9.097 8.174 -7.283 898 HG2 GLU 113 2HG GLU 113 7.184 6.641 -7.003 899 HG3 GLU 113 1HG GLU 113 8.303 5.378 -6.487 900 H HIS 114 H HIS 114 11.586 6.031 -8.351 901 HA HIS 114 HA HIS 114 12.769 8.192 -9.869 902 HB2 HIS 114 2HB HIS 114 14.937 7.553 -8.778 903 HB3 HIS 114 1HB HIS 114 13.696 8.026 -7.638 904 HD1 HIS 114 1HD HIS 114 13.059 6.308 -5.847 905 HD2 HIS 114 2HD HIS 114 15.617 4.770 -8.734 906 HE1 HIS 114 1HE HIS 114 13.798 4.086 -4.976 907 HE2 HIS 114 2HE HIS 114 15.157 3.088 -6.827 908 H HIS 115 H HIS 115 13.437 7.916 -11.809 909 HA HIS 115 HA HIS 115 13.819 5.193 -12.822 910 HB2 HIS 115 2HB HIS 115 13.496 7.842 -14.243 911 HB3 HIS 115 1HB HIS 115 13.976 6.376 -15.095 912 HD1 HIS 115 1HD HIS 115 11.035 7.890 -13.241 913 HD2 HIS 115 2HD HIS 115 11.896 4.645 -15.691 914 HE1 HIS 115 1HE HIS 115 8.837 6.861 -13.796 915 HE2 HIS 115 2HE HIS 115 9.366 5.039 -15.433 916 H HIS 116 H HIS 116 15.488 7.846 -11.722 917 HA HIS 116 HA HIS 116 18.007 6.565 -12.239 918 HB2 HIS 116 2HB HIS 116 17.382 9.449 -12.959 919 HB3 HIS 116 1HB HIS 116 19.019 8.916 -12.626 920 HD1 HIS 116 1HD HIS 116 16.639 9.255 -15.345 921 HD2 HIS 116 2HD HIS 116 19.882 6.797 -14.500 922 HE1 HIS 116 1HE HIS 116 17.325 8.276 -17.529 923 HE2 HIS 116 2HE HIS 116 19.412 7.004 -17.037 924 H HIS 117 H HIS 117 19.606 8.277 -10.849 925 HA HIS 117 HA HIS 117 18.533 7.792 -8.249 926 HB2 HIS 117 2HB HIS 117 20.971 7.470 -8.837 927 HB3 HIS 117 1HB HIS 117 21.122 9.224 -8.880 928 HD1 HIS 117 1HD HIS 117 21.496 10.379 -6.662 929 HD2 HIS 117 2HD HIS 117 20.299 6.432 -6.234 930 HE1 HIS 117 1HE HIS 117 21.692 9.871 -4.212 931 HE2 HIS 117 2HE HIS 117 20.611 7.606 -3.993 932 H HIS 118 H HIS 118 17.058 9.073 -7.521 933 HA HIS 118 HA HIS 118 16.920 11.880 -8.193 934 HB2 HIS 118 2HB HIS 118 14.852 10.555 -8.099 935 HB3 HIS 118 1HB HIS 118 15.166 10.139 -6.427 936 HD1 HIS 118 1HD HIS 118 13.696 12.817 -8.574 937 HD2 HIS 118 2HD HIS 118 14.677 12.275 -4.570 938 HE1 HIS 118 1HE HIS 118 12.527 14.633 -7.351 939 HE2 HIS 118 2HE HIS 118 13.559 14.519 -5.075 940 H HIS 119 H HIS 119 18.074 13.306 -7.086 941 HA HIS 119 HA HIS 119 18.535 12.664 -4.282 942 HB2 HIS 119 2HB HIS 119 20.636 13.956 -4.288 943 HB3 HIS 119 1HB HIS 119 20.697 12.681 -5.487 944 HD1 HIS 119 1HD HIS 119 21.418 16.158 -5.015 945 HD2 HIS 119 2HD HIS 119 20.238 13.807 -8.220 946 HE1 HIS 119 1HE HIS 119 21.947 17.493 -7.058 947 HE2 HIS 119 2HE HIS 119 20.933 16.187 -8.920 Start of MODEL 19 1 H1 MET 1 1HT MET 1 0.369 -11.083 -10.818 2 H2 MET 1 2HT MET 1 2.048 -11.201 -10.570 3 H3 MET 1 3HT MET 1 1.241 -9.726 -10.361 4 HA MET 1 HA MET 1 0.702 -12.114 -8.747 5 HB2 MET 1 2HB MET 1 2.982 -11.099 -8.380 6 HB3 MET 1 1HB MET 1 2.202 -9.572 -8.024 7 HG2 MET 1 2HG MET 1 1.084 -10.612 -6.094 8 HG3 MET 1 1HG MET 1 1.916 -12.125 -6.452 9 HE1 MET 1 2HE MET 1 2.050 -10.877 -3.602 10 HE2 MET 1 3HE MET 1 3.770 -10.981 -3.228 11 HE3 MET 1 1HE MET 1 2.962 -12.319 -4.049 12 H PHE 2 H PHE 2 -0.918 -11.706 -7.168 13 HA PHE 2 HA PHE 2 -2.703 -9.568 -7.928 14 HB2 PHE 2 2HB PHE 2 -3.005 -11.817 -5.923 15 HB3 PHE 2 1HB PHE 2 -4.245 -10.624 -6.272 16 HD1 PHE 2 2HD PHE 2 -4.997 -10.478 -8.746 17 HD2 PHE 2 1HD PHE 2 -2.980 -13.825 -7.074 18 HE1 PHE 2 2HE PHE 2 -5.869 -11.897 -10.549 19 HE2 PHE 2 1HE PHE 2 -3.850 -15.249 -8.882 20 HZ PHE 2 HZ PHE 2 -5.298 -14.282 -10.617 21 H ALA 3 H ALA 3 -3.347 -7.967 -6.554 22 HA ALA 3 HA ALA 3 -1.907 -7.711 -4.029 23 HB1 ALA 3 1HB ALA 3 -1.827 -5.284 -4.412 24 HB2 ALA 3 2HB ALA 3 -2.551 -5.510 -6.006 25 HB3 ALA 3 3HB ALA 3 -0.945 -6.155 -5.667 26 H VAL 4 H VAL 4 -3.348 -7.912 -2.528 27 HA VAL 4 HA VAL 4 -6.137 -7.324 -3.146 28 HB VAL 4 HB VAL 4 -4.973 -8.674 -0.687 29 HG11 VAL 4 1HG1 VAL 4 -7.841 -8.478 -1.627 30 HG12 VAL 4 2HG1 VAL 4 -7.146 -7.639 -0.239 31 HG13 VAL 4 3HG1 VAL 4 -7.280 -9.395 -0.228 32 HG21 VAL 4 3HG2 VAL 4 -5.814 -10.768 -1.654 33 HG22 VAL 4 1HG2 VAL 4 -4.600 -10.016 -2.690 34 HG23 VAL 4 2HG2 VAL 4 -6.311 -9.899 -3.102 35 H ILE 5 H ILE 5 -7.090 -5.626 -2.451 36 HA ILE 5 HA ILE 5 -5.622 -3.714 -0.823 37 HB ILE 5 HB ILE 5 -8.246 -3.394 -2.325 38 HG12 ILE 5 2HG1 ILE 5 -5.457 -2.549 -3.158 39 HG13 ILE 5 1HG1 ILE 5 -6.327 -3.927 -3.820 40 HG21 ILE 5 1HG2 ILE 5 -6.356 -1.336 -1.180 41 HG22 ILE 5 2HG2 ILE 5 -7.919 -1.789 -0.495 42 HG23 ILE 5 3HG2 ILE 5 -7.841 -0.997 -2.070 43 HD11 ILE 5 3HD1 ILE 5 -6.404 -1.975 -5.288 44 HD12 ILE 5 1HD1 ILE 5 -7.200 -1.052 -4.018 45 HD13 ILE 5 2HD1 ILE 5 -8.014 -2.442 -4.741 46 H SER 6 H SER 6 -6.102 -3.534 1.300 47 HA SER 6 HA SER 6 -8.509 -4.777 2.326 48 HB2 SER 6 2HB SER 6 -6.313 -3.253 3.762 49 HB3 SER 6 1HB SER 6 -7.528 -4.299 4.500 50 HG SER 6 HG SER 6 -6.233 -5.565 2.533 51 HA PRO 7 HA PRO 7 -11.010 -0.993 2.547 52 HB2 PRO 7 2HB PRO 7 -11.299 -1.806 5.417 53 HB3 PRO 7 1HB PRO 7 -12.552 -1.303 4.272 54 HG2 PRO 7 2HG PRO 7 -12.263 -3.860 4.841 55 HG3 PRO 7 1HG PRO 7 -12.536 -3.353 3.162 56 HD2 PRO 7 2HD PRO 7 -10.021 -4.269 4.486 57 HD3 PRO 7 1HD PRO 7 -10.598 -4.558 2.833 58 H SER 8 H SER 8 -8.683 -1.746 5.035 59 HA SER 8 HA SER 8 -8.096 0.610 6.258 60 HB2 SER 8 2HB SER 8 -7.041 -1.623 6.667 61 HB3 SER 8 1HB SER 8 -6.096 -1.386 5.196 62 HG SER 8 HG SER 8 -6.131 0.245 7.451 63 H ALA 9 H ALA 9 -7.251 -0.342 2.954 64 HA ALA 9 HA ALA 9 -5.457 1.909 2.626 65 HB1 ALA 9 1HB ALA 9 -6.190 -0.349 0.778 66 HB2 ALA 9 2HB ALA 9 -4.752 -0.258 1.795 67 HB3 ALA 9 3HB ALA 9 -4.955 0.864 0.448 68 H PHE 10 H PHE 10 -8.635 1.689 2.597 69 HA PHE 10 HA PHE 10 -9.162 2.948 0.109 70 HB2 PHE 10 2HB PHE 10 -10.829 2.168 2.415 71 HB3 PHE 10 1HB PHE 10 -11.472 3.368 1.296 72 HD1 PHE 10 2HD PHE 10 -9.672 0.148 1.140 73 HD2 PHE 10 1HD PHE 10 -12.743 2.580 -0.421 74 HE1 PHE 10 2HE PHE 10 -10.287 -1.656 -0.429 75 HE2 PHE 10 1HE PHE 10 -13.365 0.814 -2.014 76 HZ PHE 10 HZ PHE 10 -12.140 -1.313 -2.013 77 H GLY 11 H GLY 11 -9.446 4.979 -0.295 78 HA2 GLY 11 2HA GLY 11 -9.978 7.265 0.386 79 HA3 GLY 11 1HA GLY 11 -8.968 6.984 1.808 80 H LYS 12 H LYS 12 -6.870 5.603 0.636 81 HA LYS 12 HA LYS 12 -5.731 7.539 -1.249 82 HB2 LYS 12 2HB LYS 12 -4.483 5.479 0.553 83 HB3 LYS 12 1HB LYS 12 -3.562 6.493 -0.564 84 HG2 LYS 12 2HG LYS 12 -4.110 8.441 0.647 85 HG3 LYS 12 1HG LYS 12 -5.335 7.591 1.590 86 HD2 LYS 12 2HD LYS 12 -3.481 7.866 2.982 87 HD3 LYS 12 1HD LYS 12 -3.543 6.185 2.498 88 HE2 LYS 12 2HE LYS 12 -1.220 6.969 2.445 89 HE3 LYS 12 1HE LYS 12 -1.778 6.543 0.835 90 HZ1 LYS 12 3HZ LYS 12 -0.454 8.617 1.058 91 HZ2 LYS 12 1HZ LYS 12 -1.743 9.322 1.862 92 HZ3 LYS 12 2HZ LYS 12 -1.936 8.822 0.239 93 H LEU 13 H LEU 13 -7.551 5.162 -1.445 94 HA LEU 13 HA LEU 13 -6.651 2.978 -2.820 95 HB2 LEU 13 2HB LEU 13 -8.930 3.406 -1.997 96 HB3 LEU 13 1HB LEU 13 -9.165 4.571 -3.277 97 HG LEU 13 HG LEU 13 -8.873 2.712 -4.916 98 HD11 LEU 13 1HD1 LEU 13 -9.000 1.047 -2.421 99 HD12 LEU 13 2HD1 LEU 13 -7.636 1.183 -3.531 100 HD13 LEU 13 3HD1 LEU 13 -9.138 0.421 -4.067 101 HD21 LEU 13 3HD2 LEU 13 -11.093 2.462 -2.900 102 HD22 LEU 13 1HD2 LEU 13 -11.120 1.793 -4.534 103 HD23 LEU 13 2HD2 LEU 13 -11.065 3.541 -4.294 104 H LYS 14 H LYS 14 -7.392 6.196 -4.016 105 HA LYS 14 HA LYS 14 -7.220 5.648 -6.769 106 HB2 LYS 14 2HB LYS 14 -6.842 8.258 -5.287 107 HB3 LYS 14 1HB LYS 14 -7.067 8.114 -7.022 108 HG2 LYS 14 2HG LYS 14 -9.299 7.193 -6.669 109 HG3 LYS 14 1HG LYS 14 -9.080 7.295 -4.921 110 HD2 LYS 14 2HD LYS 14 -8.822 9.749 -5.140 111 HD3 LYS 14 1HD LYS 14 -9.118 9.603 -6.872 112 HE2 LYS 14 2HE LYS 14 -11.067 8.776 -4.710 113 HE3 LYS 14 1HE LYS 14 -11.126 10.307 -5.572 114 HZ1 LYS 14 3HZ LYS 14 -11.446 7.605 -6.793 115 HZ2 LYS 14 1HZ LYS 14 -11.493 9.073 -7.629 116 HZ3 LYS 14 2HZ LYS 14 -12.678 8.710 -6.486 117 H GLU 15 H GLU 15 -4.828 6.542 -4.345 118 HA GLU 15 HA GLU 15 -2.755 7.198 -6.154 119 HB2 GLU 15 2HB GLU 15 -2.562 6.344 -3.257 120 HB3 GLU 15 1HB GLU 15 -1.272 7.079 -4.196 121 HG2 GLU 15 2HG GLU 15 -2.680 9.099 -4.463 122 HG3 GLU 15 1HG GLU 15 -3.879 8.349 -3.411 123 H ILE 16 H ILE 16 -3.384 4.301 -4.186 124 HA ILE 16 HA ILE 16 -1.144 2.894 -5.154 125 HB ILE 16 HB ILE 16 -2.235 0.810 -4.330 126 HG12 ILE 16 2HG1 ILE 16 -4.526 2.665 -3.610 127 HG13 ILE 16 1HG1 ILE 16 -4.589 1.398 -4.826 128 HG21 ILE 16 1HG2 ILE 16 -2.176 1.452 -2.008 129 HG22 ILE 16 2HG2 ILE 16 -2.413 3.135 -2.485 130 HG23 ILE 16 3HG2 ILE 16 -0.916 2.313 -2.916 131 HD11 ILE 16 3HD1 ILE 16 -4.281 -0.284 -3.086 132 HD12 ILE 16 1HD1 ILE 16 -5.688 0.732 -2.765 133 HD13 ILE 16 2HD1 ILE 16 -4.191 0.992 -1.870 134 H LEU 17 H LEU 17 -4.399 3.025 -6.313 135 HA LEU 17 HA LEU 17 -4.157 0.944 -8.186 136 HB2 LEU 17 2HB LEU 17 -6.259 1.669 -7.262 137 HB3 LEU 17 1HB LEU 17 -6.050 3.256 -7.953 138 HG LEU 17 HG LEU 17 -6.335 2.336 -10.198 139 HD11 LEU 17 1HD1 LEU 17 -6.757 -0.291 -8.776 140 HD12 LEU 17 2HD1 LEU 17 -5.392 0.113 -9.818 141 HD13 LEU 17 3HD1 LEU 17 -7.016 0.010 -10.494 142 HD21 LEU 17 3HD2 LEU 17 -8.434 1.567 -8.196 143 HD22 LEU 17 1HD2 LEU 17 -8.696 1.670 -9.934 144 HD23 LEU 17 2HD2 LEU 17 -8.264 3.115 -9.023 145 H GLY 18 H GLY 18 -4.121 4.515 -8.578 146 HA2 GLY 18 2HA GLY 18 -3.562 4.133 -11.387 147 HA3 GLY 18 1HA GLY 18 -3.894 5.659 -10.591 148 H SER 19 H SER 19 -1.754 5.223 -8.549 149 HA SER 19 HA SER 19 0.285 6.283 -10.269 150 HB2 SER 19 2HB SER 19 0.242 6.003 -7.267 151 HB3 SER 19 1HB SER 19 1.403 6.940 -8.210 152 HG SER 19 HG SER 19 0.016 8.459 -7.840 153 H ASN 20 H ASN 20 -0.312 3.282 -8.577 154 HA ASN 20 HA ASN 20 2.472 2.541 -9.052 155 HB2 ASN 20 2HB ASN 20 1.684 1.938 -6.843 156 HB3 ASN 20 1HB ASN 20 0.331 1.046 -7.532 157 HD21 ASN 20 1HD2 ASN 20 0.906 -0.911 -6.657 158 HD22 ASN 20 2HD2 ASN 20 2.306 -1.796 -7.158 159 H LYS 21 H LYS 21 -0.784 1.133 -9.692 160 HA LYS 21 HA LYS 21 -1.426 -0.524 -11.076 161 HB2 LYS 21 2HB LYS 21 0.794 0.514 -12.891 162 HB3 LYS 21 1HB LYS 21 -0.549 -0.498 -13.395 163 HG2 LYS 21 2HG LYS 21 -2.097 1.353 -12.766 164 HG3 LYS 21 1HG LYS 21 -0.682 2.364 -12.456 165 HD2 LYS 21 2HD LYS 21 0.054 1.956 -14.789 166 HD3 LYS 21 1HD LYS 21 -1.442 1.071 -15.070 167 HE2 LYS 21 2HE LYS 21 -1.716 3.306 -15.917 168 HE3 LYS 21 1HE LYS 21 -2.709 3.128 -14.471 169 HZ1 LYS 21 3HZ LYS 21 -1.029 4.344 -13.205 170 HZ2 LYS 21 1HZ LYS 21 -1.527 5.225 -14.537 171 HZ3 LYS 21 2HZ LYS 21 -0.057 4.463 -14.594 172 H ASN 22 H ASN 22 0.710 -1.868 -12.946 173 HA ASN 22 HA ASN 22 2.279 -3.504 -12.963 174 HB2 ASN 22 2HB ASN 22 2.953 -2.563 -10.172 175 HB3 ASN 22 1HB ASN 22 3.791 -3.880 -10.959 176 HD21 ASN 22 1HD2 ASN 22 3.470 -0.507 -10.615 177 HD22 ASN 22 2HD2 ASN 22 4.758 -0.056 -11.642 178 H TYR 23 H TYR 23 -0.214 -3.617 -10.698 179 HA TYR 23 HA TYR 23 0.165 -6.509 -10.390 180 HB2 TYR 23 2HB TYR 23 -0.600 -4.573 -8.183 181 HB3 TYR 23 1HB TYR 23 -0.660 -6.323 -8.048 182 HD1 TYR 23 1HD TYR 23 1.552 -3.391 -8.246 183 HD2 TYR 23 2HD TYR 23 1.354 -7.601 -7.714 184 HE1 TYR 23 1HE TYR 23 3.889 -3.393 -7.487 185 HE2 TYR 23 2HE TYR 23 3.691 -7.615 -6.941 186 HH TYR 23 HH TYR 23 5.381 -4.840 -6.097 187 H LYS 24 H LYS 24 -1.830 -7.591 -9.806 188 HA LYS 24 HA LYS 24 -4.115 -6.241 -10.967 189 HB2 LYS 24 2HB LYS 24 -3.730 -8.465 -11.846 190 HB3 LYS 24 1HB LYS 24 -3.625 -9.135 -10.228 191 HG2 LYS 24 2HG LYS 24 -5.751 -9.680 -11.362 192 HG3 LYS 24 1HG LYS 24 -5.978 -8.792 -9.862 193 HD2 LYS 24 2HD LYS 24 -7.494 -7.969 -11.575 194 HD3 LYS 24 1HD LYS 24 -6.328 -6.724 -11.153 195 HE2 LYS 24 2HE LYS 24 -5.034 -7.265 -13.155 196 HE3 LYS 24 1HE LYS 24 -6.190 -8.530 -13.568 197 HZ1 LYS 24 3HZ LYS 24 -6.624 -6.514 -14.785 198 HZ2 LYS 24 1HZ LYS 24 -6.787 -5.636 -13.357 199 HZ3 LYS 24 2HZ LYS 24 -7.904 -6.831 -13.734 200 H PHE 25 H PHE 25 -5.206 -5.097 -9.632 201 HA PHE 25 HA PHE 25 -5.014 -5.526 -6.812 202 HB2 PHE 25 2HB PHE 25 -6.497 -3.497 -8.446 203 HB3 PHE 25 1HB PHE 25 -6.442 -3.486 -6.679 204 HD1 PHE 25 1HD PHE 25 -4.190 -3.160 -5.570 205 HD2 PHE 25 2HD PHE 25 -4.787 -2.588 -9.735 206 HE1 PHE 25 1HE PHE 25 -2.100 -1.861 -5.697 207 HE2 PHE 25 2HE PHE 25 -2.718 -1.307 -9.871 208 HZ PHE 25 HZ PHE 25 -1.358 -0.935 -7.847 209 H VAL 26 H VAL 26 -6.334 -6.555 -5.608 210 HA VAL 26 HA VAL 26 -8.928 -7.436 -6.680 211 HB VAL 26 HB VAL 26 -7.163 -8.862 -4.670 212 HG11 VAL 26 1HG1 VAL 26 -9.515 -9.357 -4.346 213 HG12 VAL 26 2HG1 VAL 26 -8.679 -10.771 -4.984 214 HG13 VAL 26 3HG1 VAL 26 -9.682 -9.785 -6.048 215 HG21 VAL 26 3HG2 VAL 26 -6.115 -8.923 -6.859 216 HG22 VAL 26 1HG2 VAL 26 -7.613 -9.508 -7.580 217 HG23 VAL 26 2HG2 VAL 26 -6.735 -10.521 -6.437 218 H ILE 27 H ILE 27 -10.643 -6.991 -5.446 219 HA ILE 27 HA ILE 27 -10.181 -6.054 -2.717 220 HB ILE 27 HB ILE 27 -10.882 -4.179 -4.226 221 HG12 ILE 27 2HG1 ILE 27 -12.730 -3.312 -2.889 222 HG13 ILE 27 1HG1 ILE 27 -13.058 -4.926 -2.257 223 HG21 ILE 27 1HG2 ILE 27 -13.397 -5.774 -4.614 224 HG22 ILE 27 2HG2 ILE 27 -12.172 -5.454 -5.837 225 HG23 ILE 27 3HG2 ILE 27 -13.133 -4.126 -5.178 226 HD11 ILE 27 3HD1 ILE 27 -10.913 -4.921 -1.128 227 HD12 ILE 27 1HD1 ILE 27 -11.862 -3.510 -0.668 228 HD13 ILE 27 2HD1 ILE 27 -10.537 -3.343 -1.821 229 H THR 28 H THR 28 -11.952 -6.635 -1.224 230 HA THR 28 HA THR 28 -13.027 -9.211 -1.967 231 HB THR 28 HB THR 28 -13.351 -9.414 0.486 232 HG1 THR 28 1HG THR 28 -12.887 -7.831 1.747 233 HG21 THR 28 3HG2 THR 28 -10.547 -8.621 -0.319 234 HG22 THR 28 1HG2 THR 28 -11.290 -10.188 -0.660 235 HG23 THR 28 2HG2 THR 28 -11.022 -9.694 1.004 236 H THR 29 H THR 29 -15.181 -9.681 -0.639 237 HA THR 29 HA THR 29 -17.204 -8.154 -1.775 238 HB THR 29 HB THR 29 -18.225 -9.727 0.314 239 HG1 THR 29 1HG THR 29 -16.384 -10.912 0.675 240 HG21 THR 29 3HG2 THR 29 -17.765 -10.301 -2.621 241 HG22 THR 29 1HG2 THR 29 -19.165 -9.475 -1.942 242 HG23 THR 29 2HG2 THR 29 -18.887 -11.180 -1.579 243 H LEU 30 H LEU 30 -15.924 -8.369 1.543 244 HA LEU 30 HA LEU 30 -17.835 -6.481 2.520 245 HB2 LEU 30 2HB LEU 30 -15.243 -7.439 3.749 246 HB3 LEU 30 1HB LEU 30 -16.487 -6.512 4.566 247 HG LEU 30 HG LEU 30 -16.801 -9.331 3.530 248 HD11 LEU 30 1HD1 LEU 30 -15.346 -9.206 5.472 249 HD12 LEU 30 2HD1 LEU 30 -16.890 -9.954 5.883 250 HD13 LEU 30 3HD1 LEU 30 -16.570 -8.281 6.343 251 HD21 LEU 30 3HD2 LEU 30 -18.943 -9.302 4.720 252 HD22 LEU 30 1HD2 LEU 30 -18.905 -8.091 3.440 253 HD23 LEU 30 2HD2 LEU 30 -18.697 -7.603 5.122 254 H GLY 31 H GLY 31 -14.771 -6.405 0.997 255 HA2 GLY 31 2HA GLY 31 -13.922 -3.807 1.704 256 HA3 GLY 31 1HA GLY 31 -13.437 -4.700 0.261 257 H VAL 32 H VAL 32 -15.683 -4.993 -1.158 258 HA VAL 32 HA VAL 32 -16.141 -2.379 -2.135 259 HB VAL 32 HB VAL 32 -17.822 -3.318 -3.681 260 HG11 VAL 32 1HG1 VAL 32 -15.347 -4.999 -3.477 261 HG12 VAL 32 2HG1 VAL 32 -15.493 -3.445 -4.293 262 HG13 VAL 32 3HG1 VAL 32 -16.372 -4.847 -4.904 263 HG21 VAL 32 3HG2 VAL 32 -18.856 -4.972 -2.221 264 HG22 VAL 32 1HG2 VAL 32 -17.374 -5.926 -2.236 265 HG23 VAL 32 2HG2 VAL 32 -18.305 -5.723 -3.722 266 H SER 33 H SER 33 -17.899 -4.362 0.110 267 HA SER 33 HA SER 33 -20.256 -2.798 0.187 268 HB2 SER 33 2HB SER 33 -19.026 -4.500 2.380 269 HB3 SER 33 1HB SER 33 -20.687 -3.909 2.357 270 HG SER 33 HG SER 33 -19.476 -5.761 0.553 271 H PHE 34 H PHE 34 -17.203 -2.682 1.964 272 HA PHE 34 HA PHE 34 -17.745 -0.621 3.755 273 HB2 PHE 34 2HB PHE 34 -15.746 -2.042 3.890 274 HB3 PHE 34 1HB PHE 34 -15.150 -1.372 2.381 275 HD1 PHE 34 2HD PHE 34 -15.791 -0.683 5.927 276 HD2 PHE 34 1HD PHE 34 -14.012 0.734 2.331 277 HE1 PHE 34 2HE PHE 34 -14.595 1.035 7.198 278 HE2 PHE 34 1HE PHE 34 -12.808 2.461 3.599 279 HZ PHE 34 HZ PHE 34 -13.102 2.618 6.037 280 H ALA 35 H ALA 35 -16.495 -0.573 0.472 281 HA ALA 35 HA ALA 35 -16.069 2.179 0.250 282 HB1 ALA 35 1HB ALA 35 -16.804 0.283 -1.961 283 HB2 ALA 35 2HB ALA 35 -15.192 0.468 -1.280 284 HB3 ALA 35 3HB ALA 35 -15.957 1.829 -2.117 285 H ILE 36 H ILE 36 -18.912 0.227 -0.474 286 HA ILE 36 HA ILE 36 -20.489 2.291 -1.587 287 HB ILE 36 HB ILE 36 -21.405 -0.215 -0.142 288 HG12 ILE 36 2HG1 ILE 36 -20.044 -0.725 -2.112 289 HG13 ILE 36 1HG1 ILE 36 -21.721 -1.178 -2.373 290 HG21 ILE 36 1HG2 ILE 36 -23.555 0.066 -1.310 291 HG22 ILE 36 2HG2 ILE 36 -22.998 1.619 -1.933 292 HG23 ILE 36 3HG2 ILE 36 -23.215 1.393 -0.196 293 HD11 ILE 36 3HD1 ILE 36 -20.345 1.268 -3.463 294 HD12 ILE 36 1HD1 ILE 36 -22.041 0.844 -3.717 295 HD13 ILE 36 2HD1 ILE 36 -20.766 -0.194 -4.355 296 H LYS 37 H LYS 37 -20.314 1.046 1.726 297 HA LYS 37 HA LYS 37 -22.334 2.828 2.654 298 HB2 LYS 37 2HB LYS 37 -21.782 2.071 4.901 299 HB3 LYS 37 1HB LYS 37 -21.963 0.715 3.800 300 HG2 LYS 37 2HG LYS 37 -19.510 0.560 3.636 301 HG3 LYS 37 1HG LYS 37 -19.364 1.876 4.797 302 HD2 LYS 37 2HD LYS 37 -20.680 -0.792 5.303 303 HD3 LYS 37 1HD LYS 37 -19.076 -0.320 5.866 304 HE2 LYS 37 2HE LYS 37 -20.085 1.477 7.195 305 HE3 LYS 37 1HE LYS 37 -21.683 1.003 6.625 306 HZ1 LYS 37 3HZ LYS 37 -21.305 -1.187 7.675 307 HZ2 LYS 37 1HZ LYS 37 -21.293 0.090 8.775 308 HZ3 LYS 37 2HZ LYS 37 -19.858 -0.622 8.303 309 H SER 38 H SER 38 -18.869 3.069 2.445 310 HA SER 38 HA SER 38 -18.822 5.419 4.094 311 HB2 SER 38 2HB SER 38 -16.926 3.805 4.084 312 HB3 SER 38 1HB SER 38 -16.613 4.205 2.401 313 HG SER 38 HG SER 38 -15.658 5.387 4.519 314 H GLY 39 H GLY 39 -19.050 4.646 0.694 315 HA2 GLY 39 2HA GLY 39 -19.923 6.130 -0.892 316 HA3 GLY 39 1HA GLY 39 -19.493 7.469 0.161 317 H ILE 40 H ILE 40 -17.397 4.870 -0.762 318 HA ILE 40 HA ILE 40 -15.545 6.840 -1.881 319 HB ILE 40 HB ILE 40 -15.037 3.934 -1.094 320 HG12 ILE 40 2HG1 ILE 40 -14.350 6.479 0.388 321 HG13 ILE 40 1HG1 ILE 40 -15.657 5.382 0.824 322 HG21 ILE 40 1HG2 ILE 40 -13.099 6.166 -1.774 323 HG22 ILE 40 2HG2 ILE 40 -13.440 4.757 -2.775 324 HG23 ILE 40 3HG2 ILE 40 -12.643 4.557 -1.215 325 HD11 ILE 40 3HD1 ILE 40 -13.956 3.635 1.234 326 HD12 ILE 40 1HD1 ILE 40 -13.749 5.065 2.254 327 HD13 ILE 40 2HD1 ILE 40 -12.713 4.835 0.852 328 H ASP 41 H ASP 41 -14.613 6.470 -3.942 329 HA ASP 41 HA ASP 41 -16.420 5.409 -5.877 330 HB2 ASP 41 2HB ASP 41 -13.566 6.307 -6.274 331 HB3 ASP 41 1HB ASP 41 -14.683 5.923 -7.570 332 H ILE 42 H ILE 42 -16.609 3.243 -5.354 333 HA ILE 42 HA ILE 42 -14.265 1.573 -5.656 334 HB ILE 42 HB ILE 42 -15.935 0.925 -3.966 335 HG12 ILE 42 2HG1 ILE 42 -16.247 -1.466 -4.595 336 HG13 ILE 42 1HG1 ILE 42 -15.719 -1.066 -6.225 337 HG21 ILE 42 1HG2 ILE 42 -17.967 1.721 -4.960 338 HG22 ILE 42 2HG2 ILE 42 -18.129 0.003 -4.597 339 HG23 ILE 42 3HG2 ILE 42 -17.843 0.532 -6.254 340 HD11 ILE 42 3HD1 ILE 42 -13.533 -0.393 -5.357 341 HD12 ILE 42 1HD1 ILE 42 -13.914 -2.059 -4.925 342 HD13 ILE 42 2HD1 ILE 42 -14.066 -0.781 -3.720 343 H ASP 43 H ASP 43 -16.942 2.701 -7.462 344 HA ASP 43 HA ASP 43 -16.979 0.845 -9.560 345 HB2 ASP 43 2HB ASP 43 -18.774 2.444 -9.242 346 HB3 ASP 43 1HB ASP 43 -17.687 3.783 -9.598 347 H SER 44 H SER 44 -15.208 3.888 -9.205 348 HA SER 44 HA SER 44 -13.889 3.788 -11.676 349 HB2 SER 44 2HB SER 44 -13.024 5.123 -9.106 350 HB3 SER 44 1HB SER 44 -12.466 5.533 -10.731 351 HG SER 44 HG SER 44 -14.429 6.295 -11.242 352 H ALA 45 H ALA 45 -13.225 2.309 -8.571 353 HA ALA 45 HA ALA 45 -10.543 1.607 -9.105 354 HB1 ALA 45 1HB ALA 45 -10.794 0.045 -7.198 355 HB2 ALA 45 2HB ALA 45 -12.532 0.322 -7.211 356 HB3 ALA 45 3HB ALA 45 -11.434 1.637 -6.807 357 H LEU 46 H LEU 46 -13.589 -0.168 -9.289 358 HA LEU 46 HA LEU 46 -12.656 -2.560 -10.409 359 HB2 LEU 46 2HB LEU 46 -15.309 -1.190 -10.848 360 HB3 LEU 46 1HB LEU 46 -14.974 -2.868 -11.202 361 HG LEU 46 HG LEU 46 -14.998 -1.608 -8.453 362 HD11 LEU 46 1HD1 LEU 46 -17.222 -1.789 -9.390 363 HD12 LEU 46 2HD1 LEU 46 -17.001 -2.959 -8.089 364 HD13 LEU 46 3HD1 LEU 46 -16.946 -3.489 -9.767 365 HD21 LEU 46 3HD2 LEU 46 -14.816 -3.909 -7.613 366 HD22 LEU 46 1HD2 LEU 46 -13.398 -3.446 -8.554 367 HD23 LEU 46 2HD2 LEU 46 -14.626 -4.495 -9.265 368 H ASP 47 H ASP 47 -13.685 0.427 -11.876 369 HA ASP 47 HA ASP 47 -13.585 -0.279 -14.594 370 HB2 ASP 47 2HB ASP 47 -14.679 1.760 -13.881 371 HB3 ASP 47 1HB ASP 47 -13.164 2.390 -13.257 372 H ARG 48 H ARG 48 -11.037 0.904 -12.449 373 HA ARG 48 HA ARG 48 -9.212 1.025 -14.683 374 HB2 ARG 48 2HB ARG 48 -8.779 1.697 -11.804 375 HB3 ARG 48 1HB ARG 48 -7.566 1.900 -13.067 376 HG2 ARG 48 2HG ARG 48 -9.058 3.421 -14.249 377 HG3 ARG 48 1HG ARG 48 -10.259 3.219 -12.973 378 HD2 ARG 48 2HD ARG 48 -8.633 4.093 -11.376 379 HD3 ARG 48 1HD ARG 48 -7.518 4.410 -12.707 380 HE ARG 48 HE ARG 48 -10.182 5.515 -12.898 381 HH11 ARG 48 1HH1 ARG 48 -6.742 6.157 -12.291 382 HH12 ARG 48 2HH1 ARG 48 -6.887 7.837 -12.402 383 HH21 ARG 48 1HH2 ARG 48 -10.364 7.833 -13.133 384 HH22 ARG 48 2HH2 ARG 48 -8.997 8.820 -12.910 385 H GLY 49 H GLY 49 -10.235 -1.438 -12.874 386 HA2 GLY 49 2HA GLY 49 -9.176 -3.478 -13.943 387 HA3 GLY 49 1HA GLY 49 -7.665 -2.807 -13.371 388 H VAL 50 H VAL 50 -9.782 -2.170 -10.930 389 HA VAL 50 HA VAL 50 -8.744 -4.331 -9.380 390 HB VAL 50 HB VAL 50 -10.927 -2.329 -8.663 391 HG11 VAL 50 1HG1 VAL 50 -9.338 -4.166 -6.872 392 HG12 VAL 50 2HG1 VAL 50 -11.043 -4.332 -7.275 393 HG13 VAL 50 3HG1 VAL 50 -10.491 -2.943 -6.335 394 HG21 VAL 50 3HG2 VAL 50 -8.794 -1.253 -9.109 395 HG22 VAL 50 1HG2 VAL 50 -7.995 -2.341 -7.976 396 HG23 VAL 50 2HG2 VAL 50 -9.178 -1.187 -7.386 397 H ILE 51 H ILE 51 -9.638 -6.228 -8.903 398 HA ILE 51 HA ILE 51 -12.312 -6.761 -9.977 399 HB ILE 51 HB ILE 51 -11.651 -9.171 -10.047 400 HG12 ILE 51 2HG1 ILE 51 -8.859 -8.095 -9.528 401 HG13 ILE 51 1HG1 ILE 51 -9.798 -9.086 -8.423 402 HG21 ILE 51 1HG2 ILE 51 -10.321 -8.991 -12.098 403 HG22 ILE 51 2HG2 ILE 51 -10.018 -7.289 -11.726 404 HG23 ILE 51 3HG2 ILE 51 -11.663 -7.845 -12.040 405 HD11 ILE 51 3HD1 ILE 51 -8.102 -10.400 -9.571 406 HD12 ILE 51 1HD1 ILE 51 -8.782 -9.932 -11.127 407 HD13 ILE 51 2HD1 ILE 51 -9.720 -10.936 -10.026 408 H VAL 52 H VAL 52 -13.773 -7.853 -8.743 409 HA VAL 52 HA VAL 52 -13.092 -7.822 -5.915 410 HB VAL 52 HB VAL 52 -15.031 -6.439 -6.354 411 HG11 VAL 52 1HG1 VAL 52 -15.814 -7.364 -8.431 412 HG12 VAL 52 2HG1 VAL 52 -17.132 -7.330 -7.258 413 HG13 VAL 52 3HG1 VAL 52 -16.312 -8.847 -7.617 414 HG21 VAL 52 3HG2 VAL 52 -15.882 -9.019 -5.024 415 HG22 VAL 52 1HG2 VAL 52 -16.717 -7.472 -4.876 416 HG23 VAL 52 2HG2 VAL 52 -15.081 -7.659 -4.246 417 H ARG 53 H ARG 53 -12.637 -9.589 -4.960 418 HA ARG 53 HA ARG 53 -13.823 -12.065 -5.991 419 HB2 ARG 53 2HB ARG 53 -11.366 -11.876 -6.440 420 HB3 ARG 53 1HB ARG 53 -11.114 -11.809 -4.700 421 HG2 ARG 53 2HG ARG 53 -12.015 -14.018 -4.418 422 HG3 ARG 53 1HG ARG 53 -12.475 -14.081 -6.120 423 HD2 ARG 53 2HD ARG 53 -9.701 -13.808 -5.066 424 HD3 ARG 53 1HD ARG 53 -10.401 -15.332 -5.645 425 HE ARG 53 HE ARG 53 -10.374 -13.074 -7.492 426 HH11 ARG 53 1HH1 ARG 53 -8.899 -16.196 -6.629 427 HH12 ARG 53 2HH1 ARG 53 -8.007 -16.302 -8.068 428 HH21 ARG 53 1HH2 ARG 53 -9.139 -13.270 -9.477 429 HH22 ARG 53 2HH2 ARG 53 -8.142 -14.628 -9.697 430 H ALA 54 H ALA 54 -14.937 -13.135 -4.600 431 HA ALA 54 HA ALA 54 -15.215 -12.001 -1.957 432 HB1 ALA 54 1HB ALA 54 -17.205 -12.335 -3.309 433 HB2 ALA 54 2HB ALA 54 -17.236 -13.349 -1.867 434 HB3 ALA 54 3HB ALA 54 -16.844 -14.054 -3.434 435 H PHE 55 H PHE 55 -15.080 -13.240 -0.144 436 HA PHE 55 HA PHE 55 -13.331 -15.511 -0.313 437 HB2 PHE 55 2HB PHE 55 -13.177 -13.781 1.516 438 HB3 PHE 55 1HB PHE 55 -14.744 -14.318 2.099 439 HD1 PHE 55 1HD PHE 55 -11.470 -15.856 1.169 440 HD2 PHE 55 2HD PHE 55 -14.681 -15.663 3.950 441 HE1 PHE 55 1HE PHE 55 -10.319 -17.490 2.604 442 HE2 PHE 55 2HE PHE 55 -13.543 -17.297 5.383 443 HZ PHE 55 HZ PHE 55 -11.359 -18.210 4.718 444 H SER 56 H SER 56 -14.180 -17.354 -0.917 445 HA SER 56 HA SER 56 -16.972 -17.841 -1.042 446 HB2 SER 56 2HB SER 56 -14.681 -19.715 -1.589 447 HB3 SER 56 1HB SER 56 -16.329 -19.823 -2.216 448 HG SER 56 HG SER 56 -15.838 -17.600 -3.074 449 H HIS 57 H HIS 57 -15.338 -17.897 1.630 450 HA HIS 57 HA HIS 57 -16.638 -20.314 2.692 451 HB2 HIS 57 2HB HIS 57 -13.986 -19.137 3.620 452 HB3 HIS 57 1HB HIS 57 -14.814 -20.481 4.381 453 HD1 HIS 57 1HD HIS 57 -14.344 -22.798 3.434 454 HD2 HIS 57 2HD HIS 57 -12.804 -19.745 1.087 455 HE1 HIS 57 1HE HIS 57 -12.836 -23.912 1.782 456 HE2 HIS 57 2HE HIS 57 -12.225 -22.080 0.196 457 H LYS 58 H LYS 58 -16.796 -19.918 5.234 458 HA LYS 58 HA LYS 58 -18.302 -17.545 5.606 459 HB2 LYS 58 2HB LYS 58 -18.815 -19.548 6.882 460 HB3 LYS 58 1HB LYS 58 -17.192 -19.605 7.534 461 HG2 LYS 58 2HG LYS 58 -18.702 -18.856 9.223 462 HG3 LYS 58 1HG LYS 58 -17.653 -17.513 8.765 463 HD2 LYS 58 2HD LYS 58 -19.484 -16.653 7.330 464 HD3 LYS 58 1HD LYS 58 -20.509 -17.968 7.901 465 HE2 LYS 58 2HE LYS 58 -19.263 -15.808 9.605 466 HE3 LYS 58 1HE LYS 58 -20.956 -15.914 9.133 467 HZ1 LYS 58 3HZ LYS 58 -19.527 -17.902 10.833 468 HZ2 LYS 58 1HZ LYS 58 -21.149 -17.967 10.375 469 HZ3 LYS 58 2HZ LYS 58 -20.607 -16.735 11.377 470 HA PRO 59 HA PRO 59 -14.576 -15.072 6.255 471 HB2 PRO 59 2HB PRO 59 -15.874 -12.717 6.853 472 HB3 PRO 59 1HB PRO 59 -15.547 -13.266 5.207 473 HG2 PRO 59 2HG PRO 59 -18.058 -13.453 6.810 474 HG3 PRO 59 1HG PRO 59 -17.856 -13.097 5.088 475 HD2 PRO 59 2HD PRO 59 -18.631 -15.512 5.984 476 HD3 PRO 59 1HD PRO 59 -17.645 -15.324 4.525 477 HA PRO 60 HA PRO 60 -14.801 -15.493 10.674 478 HB2 PRO 60 2HB PRO 60 -12.186 -15.525 11.170 479 HB3 PRO 60 1HB PRO 60 -12.977 -16.882 10.355 480 HG2 PRO 60 2HG PRO 60 -11.343 -14.668 9.188 481 HG3 PRO 60 1HG PRO 60 -11.349 -16.389 8.773 482 HD2 PRO 60 2HD PRO 60 -12.701 -14.423 7.375 483 HD3 PRO 60 1HD PRO 60 -13.109 -16.149 7.347 484 H LYS 61 H LYS 61 -14.156 -14.265 12.534 485 HA LYS 61 HA LYS 61 -13.404 -11.500 11.897 486 HB2 LYS 61 2HB LYS 61 -14.867 -12.492 14.376 487 HB3 LYS 61 1HB LYS 61 -14.391 -10.839 14.072 488 HG2 LYS 61 2HG LYS 61 -16.668 -10.831 13.629 489 HG3 LYS 61 1HG LYS 61 -15.969 -11.006 12.021 490 HD2 LYS 61 2HD LYS 61 -16.356 -13.414 12.111 491 HD3 LYS 61 1HD LYS 61 -17.040 -13.252 13.728 492 HE2 LYS 61 2HE LYS 61 -18.142 -12.055 11.182 493 HE3 LYS 61 1HE LYS 61 -18.811 -13.427 12.058 494 HZ1 LYS 61 3HZ LYS 61 -18.686 -10.607 13.034 495 HZ2 LYS 61 1HZ LYS 61 -19.227 -11.900 13.946 496 HZ3 LYS 61 2HZ LYS 61 -20.063 -11.455 12.582 497 H VAL 62 H VAL 62 -11.360 -11.063 12.467 498 HA VAL 62 HA VAL 62 -10.009 -12.760 14.358 499 HB VAL 62 HB VAL 62 -9.110 -10.151 13.061 500 HG11 VAL 62 1HG1 VAL 62 -7.893 -10.598 15.131 501 HG12 VAL 62 2HG1 VAL 62 -6.837 -10.807 13.736 502 HG13 VAL 62 3HG1 VAL 62 -7.495 -12.220 14.563 503 HG21 VAL 62 3HG2 VAL 62 -8.449 -13.004 12.322 504 HG22 VAL 62 1HG2 VAL 62 -7.749 -11.566 11.579 505 HG23 VAL 62 2HG2 VAL 62 -9.472 -11.901 11.402 506 H GLY 63 H GLY 63 -10.083 -12.401 16.524 507 HA2 GLY 63 2HA GLY 63 -11.706 -10.282 17.530 508 HA3 GLY 63 1HA GLY 63 -10.826 -11.466 18.482 509 H ASN 64 H ASN 64 -10.292 -8.690 16.454 510 HA ASN 64 HA ASN 64 -8.958 -7.006 18.197 511 HB2 ASN 64 2HB ASN 64 -7.130 -8.661 18.216 512 HB3 ASN 64 1HB ASN 64 -7.074 -8.627 16.459 513 HD21 ASN 64 1HD2 ASN 64 -4.966 -7.958 16.420 514 HD22 ASN 64 2HD2 ASN 64 -4.523 -6.331 16.734 515 H LEU 65 H LEU 65 -9.198 -8.292 14.926 516 HA LEU 65 HA LEU 65 -8.878 -5.597 13.826 517 HB2 LEU 65 2HB LEU 65 -8.618 -8.269 12.443 518 HB3 LEU 65 1HB LEU 65 -8.375 -6.708 11.702 519 HG LEU 65 HG LEU 65 -6.656 -7.891 13.880 520 HD11 LEU 65 1HD1 LEU 65 -6.151 -7.486 10.945 521 HD12 LEU 65 2HD1 LEU 65 -6.392 -9.030 11.764 522 HD13 LEU 65 3HD1 LEU 65 -4.970 -8.052 12.126 523 HD21 LEU 65 3HD2 LEU 65 -6.378 -5.324 12.314 524 HD22 LEU 65 1HD2 LEU 65 -5.172 -5.985 13.415 525 HD23 LEU 65 2HD2 LEU 65 -6.737 -5.470 14.030 526 HA PRO 66 HA PRO 66 -13.185 -5.722 12.561 527 HB2 PRO 66 2HB PRO 66 -12.306 -4.386 10.068 528 HB3 PRO 66 1HB PRO 66 -13.466 -3.834 11.278 529 HG2 PRO 66 2HG PRO 66 -11.065 -2.692 11.072 530 HG3 PRO 66 1HG PRO 66 -11.833 -2.962 12.648 531 HD2 PRO 66 2HD PRO 66 -9.640 -4.515 11.331 532 HD3 PRO 66 1HD PRO 66 -9.831 -4.023 13.029 533 H GLN 67 H GLN 67 -14.465 -6.984 11.225 534 HA GLN 67 HA GLN 67 -13.302 -9.242 10.076 535 HB2 GLN 67 2HB GLN 67 -15.584 -9.183 10.970 536 HB3 GLN 67 1HB GLN 67 -16.078 -8.163 9.629 537 HG2 GLN 67 2HG GLN 67 -15.454 -10.000 8.071 538 HG3 GLN 67 1HG GLN 67 -15.139 -11.021 9.474 539 HE21 GLN 67 1HE2 GLN 67 -16.781 -12.490 8.910 540 HE22 GLN 67 2HE2 GLN 67 -18.444 -12.062 9.050 541 H TYR 68 H TYR 68 -14.430 -6.239 8.569 542 HA TYR 68 HA TYR 68 -14.108 -7.269 5.972 543 HB2 TYR 68 2HB TYR 68 -14.085 -4.812 5.172 544 HB3 TYR 68 1HB TYR 68 -15.515 -5.422 5.958 545 HD1 TYR 68 2HD TYR 68 -12.351 -3.714 7.057 546 HD2 TYR 68 1HD TYR 68 -16.582 -3.959 7.294 547 HE1 TYR 68 2HE TYR 68 -12.376 -1.790 8.606 548 HE2 TYR 68 1HE TYR 68 -16.627 -2.056 8.819 549 HH TYR 68 HH TYR 68 -15.272 -0.887 10.294 550 H GLU 69 H GLU 69 -11.776 -5.830 8.088 551 HA GLU 69 HA GLU 69 -9.698 -5.631 6.116 552 HB2 GLU 69 2HB GLU 69 -9.480 -5.921 9.132 553 HB3 GLU 69 1HB GLU 69 -8.217 -5.354 8.054 554 HG2 GLU 69 2HG GLU 69 -10.825 -3.898 8.409 555 HG3 GLU 69 1HG GLU 69 -9.439 -3.622 9.442 556 H SER 70 H SER 70 -10.901 -7.945 8.420 557 HA SER 70 HA SER 70 -8.847 -9.861 8.280 558 HB2 SER 70 2HB SER 70 -11.760 -10.278 8.988 559 HB3 SER 70 1HB SER 70 -10.430 -11.368 9.380 560 HG SER 70 HG SER 70 -10.741 -8.684 10.312 561 H GLU 71 H GLU 71 -11.876 -9.521 6.414 562 HA GLU 71 HA GLU 71 -11.619 -11.937 4.988 563 HB2 GLU 71 2HB GLU 71 -13.734 -10.653 4.994 564 HB3 GLU 71 1HB GLU 71 -12.962 -9.371 4.068 565 HG2 GLU 71 2HG GLU 71 -12.578 -10.989 2.224 566 HG3 GLU 71 1HG GLU 71 -13.461 -12.197 3.146 567 H ALA 72 H ALA 72 -10.403 -8.689 4.375 568 HA ALA 72 HA ALA 72 -9.281 -9.155 1.843 569 HB1 ALA 72 1HB ALA 72 -8.338 -7.252 3.988 570 HB2 ALA 72 2HB ALA 72 -9.584 -6.908 2.789 571 HB3 ALA 72 3HB ALA 72 -7.917 -7.179 2.278 572 H ILE 73 H ILE 73 -7.900 -9.422 5.084 573 HA ILE 73 HA ILE 73 -5.354 -10.346 4.370 574 HB ILE 73 HB ILE 73 -6.965 -11.098 6.831 575 HG12 ILE 73 2HG1 ILE 73 -4.872 -8.940 6.468 576 HG13 ILE 73 1HG1 ILE 73 -6.607 -8.664 6.598 577 HG21 ILE 73 1HG2 ILE 73 -3.996 -11.326 6.331 578 HG22 ILE 73 2HG2 ILE 73 -5.134 -12.664 6.481 579 HG23 ILE 73 3HG2 ILE 73 -4.798 -11.631 7.871 580 HD11 ILE 73 3HD1 ILE 73 -4.871 -9.881 8.732 581 HD12 ILE 73 1HD1 ILE 73 -6.591 -9.534 8.864 582 HD13 ILE 73 2HD1 ILE 73 -5.429 -8.214 8.706 583 H MET 74 H MET 74 -8.341 -12.133 4.989 584 HA MET 74 HA MET 74 -7.259 -14.706 4.740 585 HB2 MET 74 2HB MET 74 -10.084 -13.766 4.294 586 HB3 MET 74 1HB MET 74 -9.617 -15.452 4.245 587 HG2 MET 74 2HG MET 74 -9.148 -13.730 6.663 588 HG3 MET 74 1HG MET 74 -10.672 -14.548 6.380 589 HE1 MET 74 3HE MET 74 -6.827 -16.094 5.904 590 HE2 MET 74 1HE MET 74 -6.690 -16.614 7.566 591 HE3 MET 74 2HE MET 74 -6.863 -14.891 7.200 592 H VAL 75 H VAL 75 -8.828 -12.690 2.281 593 HA VAL 75 HA VAL 75 -8.530 -14.646 0.253 594 HB VAL 75 HB VAL 75 -8.925 -11.637 -0.021 595 HG11 VAL 75 1HG1 VAL 75 -7.963 -12.563 -2.085 596 HG12 VAL 75 2HG1 VAL 75 -9.641 -12.085 -2.328 597 HG13 VAL 75 3HG1 VAL 75 -9.230 -13.790 -2.131 598 HG21 VAL 75 3HG2 VAL 75 -10.863 -13.944 -0.163 599 HG22 VAL 75 1HG2 VAL 75 -11.264 -12.264 -0.507 600 HG23 VAL 75 2HG2 VAL 75 -10.760 -12.735 1.115 601 H ALA 76 H ALA 76 -6.491 -11.992 1.329 602 HA ALA 76 HA ALA 76 -4.538 -12.241 -0.699 603 HB1 ALA 76 1HB ALA 76 -4.212 -11.204 2.111 604 HB2 ALA 76 2HB ALA 76 -4.752 -10.267 0.718 605 HB3 ALA 76 3HB ALA 76 -3.112 -10.921 0.759 606 H PHE 77 H PHE 77 -5.085 -13.908 2.281 607 HA PHE 77 HA PHE 77 -2.551 -15.254 2.305 608 HB2 PHE 77 2HB PHE 77 -3.694 -14.772 4.399 609 HB3 PHE 77 1HB PHE 77 -5.103 -15.675 3.876 610 HD1 PHE 77 1HD PHE 77 -1.444 -16.163 4.434 611 HD2 PHE 77 2HD PHE 77 -5.361 -17.801 4.665 612 HE1 PHE 77 1HE PHE 77 -0.539 -18.171 5.524 613 HE2 PHE 77 2HE PHE 77 -4.468 -19.802 5.747 614 HZ PHE 77 HZ PHE 77 -2.052 -20.000 6.179 615 H GLU 78 H GLU 78 -5.794 -15.935 1.211 616 HA GLU 78 HA GLU 78 -5.408 -18.671 0.621 617 HB2 GLU 78 2HB GLU 78 -7.607 -17.520 0.982 618 HB3 GLU 78 1HB GLU 78 -7.401 -16.703 -0.548 619 HG2 GLU 78 2HG GLU 78 -7.476 -19.697 -0.409 620 HG3 GLU 78 1HG GLU 78 -8.954 -18.752 -0.371 621 H LEU 79 H LEU 79 -5.236 -15.727 -1.343 622 HA LEU 79 HA LEU 79 -4.354 -17.119 -3.717 623 HB2 LEU 79 2HB LEU 79 -4.302 -14.183 -3.030 624 HB3 LEU 79 1HB LEU 79 -3.989 -14.857 -4.613 625 HG LEU 79 HG LEU 79 -6.628 -14.966 -3.148 626 HD11 LEU 79 1HD1 LEU 79 -6.056 -12.712 -3.887 627 HD12 LEU 79 2HD1 LEU 79 -7.376 -13.379 -4.849 628 HD13 LEU 79 3HD1 LEU 79 -5.743 -13.320 -5.513 629 HD21 LEU 79 3HD2 LEU 79 -5.852 -15.824 -5.927 630 HD22 LEU 79 1HD2 LEU 79 -7.497 -15.765 -5.293 631 HD23 LEU 79 2HD2 LEU 79 -6.330 -16.888 -4.596 632 H ASN 80 H ASN 80 -2.913 -15.880 -0.912 633 HA ASN 80 HA ASN 80 -0.905 -15.264 -0.183 634 HB2 ASN 80 2HB ASN 80 -0.385 -17.702 -0.843 635 HB3 ASN 80 1HB ASN 80 0.340 -17.044 -2.308 636 HD21 ASN 80 1HD2 ASN 80 2.226 -15.762 -2.096 637 HD22 ASN 80 2HD2 ASN 80 3.250 -15.876 -0.713 638 H ALA 81 H ALA 81 -1.639 -13.379 -1.084 639 HA ALA 81 HA ALA 81 -0.286 -12.423 -3.524 640 HB1 ALA 81 1HB ALA 81 -2.151 -10.898 -3.762 641 HB2 ALA 81 2HB ALA 81 -2.858 -11.505 -2.264 642 HB3 ALA 81 3HB ALA 81 -2.715 -12.566 -3.664 643 H LEU 82 H LEU 82 -0.452 -9.887 -3.437 644 HA LEU 82 HA LEU 82 1.293 -9.023 -1.290 645 HB2 LEU 82 2HB LEU 82 1.492 -8.612 -3.865 646 HB3 LEU 82 1HB LEU 82 0.174 -7.499 -3.664 647 HG LEU 82 HG LEU 82 2.281 -6.347 -3.868 648 HD11 LEU 82 1HD1 LEU 82 1.216 -6.118 -1.071 649 HD12 LEU 82 2HD1 LEU 82 0.644 -5.240 -2.495 650 HD13 LEU 82 3HD1 LEU 82 2.277 -4.966 -1.876 651 HD21 LEU 82 3HD2 LEU 82 3.762 -8.056 -3.054 652 HD22 LEU 82 1HD2 LEU 82 3.146 -7.848 -1.414 653 HD23 LEU 82 2HD2 LEU 82 4.038 -6.541 -2.193 654 H LEU 83 H LEU 83 0.359 -7.887 0.441 655 HA LEU 83 HA LEU 83 -2.462 -7.165 0.075 656 HB2 LEU 83 2HB LEU 83 -2.037 -8.865 1.819 657 HB3 LEU 83 1HB LEU 83 -1.013 -7.722 2.661 658 HG LEU 83 HG LEU 83 -3.000 -6.236 2.951 659 HD11 LEU 83 1HD1 LEU 83 -4.351 -7.028 1.099 660 HD12 LEU 83 2HD1 LEU 83 -5.220 -7.180 2.627 661 HD13 LEU 83 3HD1 LEU 83 -4.506 -8.604 1.878 662 HD21 LEU 83 3HD2 LEU 83 -4.047 -7.575 4.705 663 HD22 LEU 83 1HD2 LEU 83 -2.290 -7.718 4.743 664 HD23 LEU 83 2HD2 LEU 83 -3.269 -9.020 4.064 665 H ILE 84 H ILE 84 -3.038 -5.147 0.161 666 HA ILE 84 HA ILE 84 -1.030 -3.149 0.942 667 HB ILE 84 HB ILE 84 -3.543 -2.725 -0.700 668 HG12 ILE 84 2HG1 ILE 84 -0.706 -3.121 -1.714 669 HG13 ILE 84 1HG1 ILE 84 -1.986 -4.317 -1.811 670 HG21 ILE 84 1HG2 ILE 84 -2.414 -0.645 -1.373 671 HG22 ILE 84 2HG2 ILE 84 -1.056 -1.043 -0.318 672 HG23 ILE 84 3HG2 ILE 84 -2.645 -0.721 0.375 673 HD11 ILE 84 3HD1 ILE 84 -1.648 -3.135 -3.917 674 HD12 ILE 84 1HD1 ILE 84 -2.049 -1.615 -3.122 675 HD13 ILE 84 2HD1 ILE 84 -3.269 -2.882 -3.269 676 H ALA 85 H ALA 85 -1.390 -2.346 2.938 677 HA ALA 85 HA ALA 85 -4.085 -1.625 3.729 678 HB1 ALA 85 1HB ALA 85 -2.359 -3.470 5.395 679 HB2 ALA 85 2HB ALA 85 -3.854 -3.917 4.576 680 HB3 ALA 85 3HB ALA 85 -3.890 -2.756 5.902 681 H GLU 86 H GLU 86 -4.054 -0.127 5.516 682 HA GLU 86 HA GLU 86 -1.510 1.287 5.691 683 HB2 GLU 86 2HB GLU 86 -4.357 2.104 5.844 684 HB3 GLU 86 1HB GLU 86 -3.181 3.052 6.731 685 HG2 GLU 86 2HG GLU 86 -3.078 2.436 3.796 686 HG3 GLU 86 1HG GLU 86 -3.637 3.956 4.494 687 H ASP 87 H ASP 87 -4.024 -0.192 7.548 688 HA ASP 87 HA ASP 87 -3.159 0.720 10.083 689 HB2 ASP 87 2HB ASP 87 -5.449 -0.128 9.611 690 HB3 ASP 87 1HB ASP 87 -4.779 -1.742 9.437 691 H LYS 88 H LYS 88 -1.508 0.116 11.171 692 HA LYS 88 HA LYS 88 0.269 -1.811 10.047 693 HB2 LYS 88 2HB LYS 88 0.523 -0.119 12.524 694 HB3 LYS 88 1HB LYS 88 1.813 -1.101 11.835 695 HG2 LYS 88 2HG LYS 88 1.726 0.199 9.778 696 HG3 LYS 88 1HG LYS 88 0.414 1.169 10.440 697 HD2 LYS 88 2HD LYS 88 1.908 1.961 12.213 698 HD3 LYS 88 1HD LYS 88 3.217 0.989 11.541 699 HE2 LYS 88 2HE LYS 88 3.422 3.302 10.820 700 HE3 LYS 88 1HE LYS 88 3.077 2.253 9.447 701 HZ1 LYS 88 3HZ LYS 88 1.148 4.024 10.852 702 HZ2 LYS 88 1HZ LYS 88 0.718 2.967 9.608 703 HZ3 LYS 88 2HZ LYS 88 1.764 4.222 9.300 704 H ASP 89 H ASP 89 -2.167 -1.963 12.397 705 HA ASP 89 HA ASP 89 -0.982 -4.186 13.780 706 HB2 ASP 89 2HB ASP 89 -2.523 -2.480 14.851 707 HB3 ASP 89 1HB ASP 89 -3.833 -3.180 13.908 708 H VAL 90 H VAL 90 -3.510 -3.548 11.416 709 HA VAL 90 HA VAL 90 -4.265 -6.174 10.770 710 HB VAL 90 HB VAL 90 -4.088 -3.728 8.948 711 HG11 VAL 90 1HG1 VAL 90 -5.519 -4.876 7.367 712 HG12 VAL 90 2HG1 VAL 90 -5.592 -6.285 8.404 713 HG13 VAL 90 3HG1 VAL 90 -4.062 -5.847 7.625 714 HG21 VAL 90 3HG2 VAL 90 -5.671 -3.536 10.813 715 HG22 VAL 90 1HG2 VAL 90 -6.460 -5.021 10.282 716 HG23 VAL 90 2HG2 VAL 90 -6.497 -3.589 9.255 717 H ILE 91 H ILE 91 -1.739 -4.140 9.283 718 HA ILE 91 HA ILE 91 -0.623 -5.956 7.498 719 HB ILE 91 HB ILE 91 0.761 -3.784 9.103 720 HG12 ILE 91 2HG1 ILE 91 -0.210 -3.772 6.240 721 HG13 ILE 91 1HG1 ILE 91 -1.071 -3.050 7.596 722 HG21 ILE 91 1HG2 ILE 91 2.566 -3.844 7.437 723 HG22 ILE 91 2HG2 ILE 91 1.809 -5.237 6.668 724 HG23 ILE 91 3HG2 ILE 91 2.439 -5.372 8.311 725 HD11 ILE 91 3HD1 ILE 91 1.649 -2.243 6.600 726 HD12 ILE 91 1HD1 ILE 91 0.774 -1.512 7.945 727 HD13 ILE 91 2HD1 ILE 91 0.133 -1.385 6.306 728 H ASN 92 H ASN 92 0.146 -5.430 10.887 729 HA ASN 92 HA ASN 92 2.270 -7.164 11.226 730 HB2 ASN 92 2HB ASN 92 1.596 -5.608 12.959 731 HB3 ASN 92 1HB ASN 92 0.072 -6.454 13.169 732 HD21 ASN 92 1HD2 ASN 92 0.017 -8.315 14.400 733 HD22 ASN 92 2HD2 ASN 92 1.358 -8.870 15.313 734 H LYS 93 H LYS 93 -1.180 -7.882 11.649 735 HA LYS 93 HA LYS 93 -0.847 -10.571 12.433 736 HB2 LYS 93 2HB LYS 93 -2.913 -9.228 12.806 737 HB3 LYS 93 1HB LYS 93 -3.236 -9.308 11.084 738 HG2 LYS 93 2HG LYS 93 -4.610 -10.905 12.256 739 HG3 LYS 93 1HG LYS 93 -3.431 -11.759 11.257 740 HD2 LYS 93 2HD LYS 93 -2.035 -12.164 13.208 741 HD3 LYS 93 1HD LYS 93 -3.134 -11.222 14.214 742 HE2 LYS 93 2HE LYS 93 -4.919 -12.850 13.718 743 HE3 LYS 93 1HE LYS 93 -3.760 -13.804 12.791 744 HZ1 LYS 93 3HZ LYS 93 -4.074 -14.628 15.042 745 HZ2 LYS 93 1HZ LYS 93 -3.510 -13.168 15.683 746 HZ3 LYS 93 2HZ LYS 93 -2.480 -14.164 14.777 747 H ALA 94 H ALA 94 -1.492 -9.068 9.318 748 HA ALA 94 HA ALA 94 -1.842 -11.413 7.819 749 HB1 ALA 94 1HB ALA 94 -2.511 -9.195 7.036 750 HB2 ALA 94 2HB ALA 94 -1.466 -10.002 5.869 751 HB3 ALA 94 3HB ALA 94 -0.815 -8.734 6.907 752 H LYS 95 H LYS 95 1.024 -9.521 8.578 753 HA LYS 95 HA LYS 95 2.720 -11.044 6.909 754 HB2 LYS 95 2HB LYS 95 3.156 -8.708 7.597 755 HB3 LYS 95 1HB LYS 95 3.489 -9.265 9.226 756 HG2 LYS 95 2HG LYS 95 5.445 -10.426 8.533 757 HG3 LYS 95 1HG LYS 95 5.034 -10.236 6.831 758 HD2 LYS 95 2HD LYS 95 5.744 -7.985 8.727 759 HD3 LYS 95 1HD LYS 95 6.829 -8.687 7.526 760 HE2 LYS 95 2HE LYS 95 5.178 -8.028 5.760 761 HE3 LYS 95 1HE LYS 95 4.253 -7.191 7.003 762 HZ1 LYS 95 3HZ LYS 95 6.263 -5.811 7.418 763 HZ2 LYS 95 1HZ LYS 95 5.626 -5.645 5.863 764 HZ3 LYS 95 2HZ LYS 95 6.986 -6.569 6.083 765 H GLU 96 H GLU 96 1.631 -11.411 10.208 766 HA GLU 96 HA GLU 96 3.536 -13.373 11.010 767 HB2 GLU 96 2HB GLU 96 0.680 -13.036 11.943 768 HB3 GLU 96 1HB GLU 96 1.890 -14.030 12.725 769 HG2 GLU 96 2HG GLU 96 3.203 -11.977 13.165 770 HG3 GLU 96 1HG GLU 96 1.869 -11.035 12.490 771 H LEU 97 H LEU 97 0.621 -13.431 9.151 772 HA LEU 97 HA LEU 97 0.369 -16.303 9.178 773 HB2 LEU 97 2HB LEU 97 -1.016 -14.240 7.466 774 HB3 LEU 97 1HB LEU 97 -1.436 -15.937 7.535 775 HG LEU 97 HG LEU 97 -1.677 -13.965 9.809 776 HD11 LEU 97 1HD1 LEU 97 -4.083 -14.257 9.503 777 HD12 LEU 97 2HD1 LEU 97 -3.777 -15.290 8.105 778 HD13 LEU 97 3HD1 LEU 97 -3.321 -13.587 8.060 779 HD21 LEU 97 3HD2 LEU 97 -2.482 -16.871 9.645 780 HD22 LEU 97 1HD2 LEU 97 -2.868 -15.771 10.969 781 HD23 LEU 97 2HD2 LEU 97 -1.191 -16.195 10.642 782 H GLY 98 H GLY 98 2.274 -14.109 7.557 783 HA2 GLY 98 2HA GLY 98 4.046 -14.813 6.160 784 HA3 GLY 98 1HA GLY 98 3.069 -16.178 5.644 785 H VAL 99 H VAL 99 1.391 -13.214 5.696 786 HA VAL 99 HA VAL 99 1.394 -13.171 2.788 787 HB VAL 99 HB VAL 99 -0.176 -11.474 4.759 788 HG11 VAL 99 1HG1 VAL 99 -1.681 -11.017 2.872 789 HG12 VAL 99 2HG1 VAL 99 -0.620 -11.944 1.811 790 HG13 VAL 99 3HG1 VAL 99 -0.040 -10.455 2.554 791 HG21 VAL 99 3HG2 VAL 99 -0.746 -13.808 5.066 792 HG22 VAL 99 1HG2 VAL 99 -1.031 -13.989 3.334 793 HG23 VAL 99 2HG2 VAL 99 -2.085 -12.952 4.297 794 H ASN 100 H ASN 100 2.243 -11.438 1.625 795 HA ASN 100 HA ASN 100 4.009 -9.734 3.160 796 HB2 ASN 100 2HB ASN 100 4.916 -10.759 1.085 797 HB3 ASN 100 1HB ASN 100 3.707 -9.896 0.141 798 HD21 ASN 100 1HD2 ASN 100 5.410 -8.890 -1.023 799 HD22 ASN 100 2HD2 ASN 100 6.296 -7.570 -0.337 800 H ALA 101 H ALA 101 2.745 -8.430 4.196 801 HA ALA 101 HA ALA 101 0.917 -6.694 2.713 802 HB1 ALA 101 1HB ALA 101 -0.051 -6.170 4.899 803 HB2 ALA 101 2HB ALA 101 1.155 -7.189 5.682 804 HB3 ALA 101 3HB ALA 101 -0.049 -7.912 4.620 805 H ILE 102 H ILE 102 1.345 -4.595 2.533 806 HA ILE 102 HA ILE 102 3.333 -3.382 4.221 807 HB ILE 102 HB ILE 102 4.308 -2.233 2.104 808 HG12 ILE 102 2HG1 ILE 102 4.457 -3.814 0.116 809 HG13 ILE 102 1HG1 ILE 102 3.127 -4.709 0.833 810 HG21 ILE 102 1HG2 ILE 102 5.654 -3.585 3.507 811 HG22 ILE 102 2HG2 ILE 102 6.018 -3.948 1.819 812 HG23 ILE 102 3HG2 ILE 102 5.021 -5.053 2.764 813 HD11 ILE 102 3HD1 ILE 102 2.361 -3.213 -0.917 814 HD12 ILE 102 1HD1 ILE 102 3.065 -1.848 -0.056 815 HD13 ILE 102 2HD1 ILE 102 1.714 -2.731 0.653 816 HA PRO 103 HA PRO 103 0.626 0.126 3.973 817 HB2 PRO 103 2HB PRO 103 2.953 1.928 3.904 818 HB3 PRO 103 1HB PRO 103 1.706 1.766 5.143 819 HG2 PRO 103 2HG PRO 103 4.202 0.904 5.578 820 HG3 PRO 103 1HG PRO 103 2.795 0.020 6.199 821 HD2 PRO 103 2HD PRO 103 4.475 -0.544 3.786 822 HD3 PRO 103 1HD PRO 103 3.876 -1.655 5.036 823 H ILE 104 H ILE 104 0.139 2.061 2.748 824 HA ILE 104 HA ILE 104 0.076 1.532 0.017 825 HB ILE 104 HB ILE 104 -0.679 3.894 1.677 826 HG12 ILE 104 2HG1 ILE 104 -2.234 1.833 0.115 827 HG13 ILE 104 1HG1 ILE 104 -2.050 1.925 1.860 828 HG21 ILE 104 1HG2 ILE 104 -0.873 3.769 -1.318 829 HG22 ILE 104 2HG2 ILE 104 -0.069 4.996 -0.340 830 HG23 ILE 104 3HG2 ILE 104 -1.831 4.861 -0.326 831 HD11 ILE 104 3HD1 ILE 104 -4.226 2.710 1.175 832 HD12 ILE 104 1HD1 ILE 104 -3.463 3.878 0.097 833 HD13 ILE 104 2HD1 ILE 104 -3.278 4.037 1.848 834 H GLU 105 H GLU 105 2.037 3.928 1.728 835 HA GLU 105 HA GLU 105 3.041 4.731 -0.780 836 HB2 GLU 105 2HB GLU 105 3.636 5.743 1.982 837 HB3 GLU 105 1HB GLU 105 4.480 6.358 0.553 838 HG2 GLU 105 2HG GLU 105 2.390 6.989 -0.477 839 HG3 GLU 105 1HG GLU 105 1.485 6.268 0.838 840 H GLU 106 H GLU 106 4.004 2.304 1.308 841 HA GLU 106 HA GLU 106 6.609 2.038 0.087 842 HB2 GLU 106 2HB GLU 106 4.955 0.304 1.883 843 HB3 GLU 106 1HB GLU 106 6.272 -0.425 0.985 844 HG2 GLU 106 2HG GLU 106 6.935 0.171 3.251 845 HG3 GLU 106 1HG GLU 106 7.860 1.052 2.044 846 H LEU 107 H LEU 107 3.372 0.838 -0.391 847 HA LEU 107 HA LEU 107 3.843 -0.977 -2.457 848 HB2 LEU 107 2HB LEU 107 1.705 -0.760 -1.196 849 HB3 LEU 107 1HB LEU 107 1.444 0.800 -1.915 850 HG LEU 107 HG LEU 107 0.037 -1.138 -2.757 851 HD11 LEU 107 1HD1 LEU 107 1.592 0.415 -4.797 852 HD12 LEU 107 2HD1 LEU 107 0.151 0.961 -3.947 853 HD13 LEU 107 3HD1 LEU 107 0.051 -0.402 -5.061 854 HD21 LEU 107 3HD2 LEU 107 1.017 -2.561 -4.492 855 HD22 LEU 107 1HD2 LEU 107 1.781 -2.825 -2.925 856 HD23 LEU 107 2HD2 LEU 107 2.604 -1.870 -4.160 857 H LEU 108 H LEU 108 3.234 2.490 -2.510 858 HA LEU 108 HA LEU 108 3.437 2.832 -5.310 859 HB2 LEU 108 2HB LEU 108 4.062 4.805 -3.112 860 HB3 LEU 108 1HB LEU 108 3.851 5.216 -4.801 861 HG LEU 108 HG LEU 108 1.726 4.134 -2.952 862 HD11 LEU 108 1HD1 LEU 108 0.714 6.329 -3.192 863 HD12 LEU 108 2HD1 LEU 108 2.061 6.848 -4.202 864 HD13 LEU 108 3HD1 LEU 108 2.335 6.451 -2.506 865 HD21 LEU 108 3HD2 LEU 108 1.328 3.318 -5.190 866 HD22 LEU 108 1HD2 LEU 108 1.583 4.935 -5.857 867 HD23 LEU 108 2HD2 LEU 108 0.194 4.621 -4.828 868 H ALA 109 H ALA 109 5.838 2.716 -2.766 869 HA ALA 109 HA ALA 109 8.025 3.555 -4.422 870 HB1 ALA 109 1HB ALA 109 8.039 3.924 -1.991 871 HB2 ALA 109 2HB ALA 109 9.435 2.979 -2.513 872 HB3 ALA 109 3HB ALA 109 8.069 2.180 -1.733 873 H SER 110 H SER 110 6.263 0.757 -4.319 874 HA SER 110 HA SER 110 8.456 -1.010 -4.877 875 HB2 SER 110 2HB SER 110 5.468 -1.473 -4.983 876 HB3 SER 110 1HB SER 110 6.698 -2.727 -5.155 877 HG SER 110 HG SER 110 6.534 -1.031 -2.869 878 H SER 111 H SER 111 6.866 1.304 -6.626 879 HA SER 111 HA SER 111 7.434 -0.051 -9.165 880 HB2 SER 111 2HB SER 111 5.071 0.700 -8.912 881 HB3 SER 111 1HB SER 111 5.644 2.343 -8.628 882 HG SER 111 HG SER 111 5.444 2.510 -10.680 883 H LEU 112 H LEU 112 9.432 0.492 -9.682 884 HA LEU 112 HA LEU 112 10.032 3.325 -9.809 885 HB2 LEU 112 2HB LEU 112 12.282 3.037 -8.756 886 HB3 LEU 112 1HB LEU 112 10.918 2.885 -7.676 887 HG LEU 112 HG LEU 112 11.196 0.369 -8.040 888 HD11 LEU 112 1HD1 LEU 112 13.937 1.305 -8.859 889 HD12 LEU 112 2HD1 LEU 112 12.795 0.376 -9.830 890 HD13 LEU 112 3HD1 LEU 112 13.534 -0.347 -8.400 891 HD21 LEU 112 3HD2 LEU 112 12.804 0.250 -6.183 892 HD22 LEU 112 1HD2 LEU 112 11.542 1.455 -5.922 893 HD23 LEU 112 2HD2 LEU 112 13.157 1.962 -6.418 894 H GLU 113 H GLU 113 10.357 0.232 -11.023 895 HA GLU 113 HA GLU 113 12.348 1.034 -12.990 896 HB2 GLU 113 2HB GLU 113 12.405 -1.342 -13.617 897 HB3 GLU 113 1HB GLU 113 12.732 -1.134 -11.910 898 HG2 GLU 113 2HG GLU 113 10.032 -1.928 -13.002 899 HG3 GLU 113 1HG GLU 113 11.262 -3.086 -12.513 900 H HIS 114 H HIS 114 9.042 0.767 -12.496 901 HA HIS 114 HA HIS 114 8.329 0.176 -15.215 902 HB2 HIS 114 2HB HIS 114 6.910 -0.493 -13.249 903 HB3 HIS 114 1HB HIS 114 6.555 1.204 -12.986 904 HD1 HIS 114 1HD HIS 114 5.253 -1.700 -14.546 905 HD2 HIS 114 2HD HIS 114 5.147 2.346 -15.425 906 HE1 HIS 114 1HE HIS 114 3.279 -1.387 -16.085 907 HE2 HIS 114 2HE HIS 114 3.148 1.088 -16.453 908 H HIS 115 H HIS 115 9.462 1.814 -16.252 909 HA HIS 115 HA HIS 115 7.919 4.306 -16.391 910 HB2 HIS 115 2HB HIS 115 10.957 4.165 -16.437 911 HB3 HIS 115 1HB HIS 115 10.032 5.588 -16.883 912 HD1 HIS 115 1HD HIS 115 11.998 4.669 -14.246 913 HD2 HIS 115 2HD HIS 115 8.069 5.976 -14.420 914 HE1 HIS 115 1HE HIS 115 11.475 5.555 -11.962 915 HE2 HIS 115 2HE HIS 115 9.036 6.116 -12.048 916 H HIS 116 H HIS 116 10.647 2.781 -18.059 917 HA HIS 116 HA HIS 116 9.019 2.840 -20.521 918 HB2 HIS 116 2HB HIS 116 11.099 3.039 -21.844 919 HB3 HIS 116 1HB HIS 116 10.995 4.368 -20.705 920 HD1 HIS 116 1HD HIS 116 13.004 1.302 -21.519 921 HD2 HIS 116 2HD HIS 116 13.013 4.390 -18.731 922 HE1 HIS 116 1HE HIS 116 15.226 1.170 -20.368 923 HE2 HIS 116 2HE HIS 116 15.286 3.187 -18.877 924 H HIS 117 H HIS 117 9.396 0.968 -18.296 925 HA HIS 117 HA HIS 117 10.275 -1.433 -19.739 926 HB2 HIS 117 2HB HIS 117 12.015 -0.672 -18.117 927 HB3 HIS 117 1HB HIS 117 10.813 -0.686 -16.847 928 HD1 HIS 117 1HD HIS 117 13.098 -2.853 -18.762 929 HD2 HIS 117 2HD HIS 117 10.154 -3.273 -15.887 930 HE1 HIS 117 1HE HIS 117 13.390 -5.167 -17.838 931 HE2 HIS 117 2HE HIS 117 11.300 -5.473 -16.491 932 H HIS 118 H HIS 118 8.804 -3.084 -19.509 933 HA HIS 118 HA HIS 118 6.594 -2.618 -17.619 934 HB2 HIS 118 2HB HIS 118 6.444 -3.843 -20.376 935 HB3 HIS 118 1HB HIS 118 5.124 -3.925 -19.220 936 HD1 HIS 118 1HD HIS 118 5.349 -2.359 -22.097 937 HD2 HIS 118 2HD HIS 118 5.267 -0.745 -18.278 938 HE1 HIS 118 1HE HIS 118 4.575 0.000 -22.379 939 HE2 HIS 118 2HE HIS 118 4.816 1.008 -20.086 940 H HIS 119 H HIS 119 8.279 -5.162 -19.380 941 HA HIS 119 HA HIS 119 7.568 -7.020 -17.239 942 HB2 HIS 119 2HB HIS 119 8.672 -7.484 -20.019 943 HB3 HIS 119 1HB HIS 119 8.489 -8.765 -18.832 944 HD1 HIS 119 1HD HIS 119 6.113 -9.629 -18.421 945 HD2 HIS 119 2HD HIS 119 6.311 -6.593 -21.231 946 HE1 HIS 119 1HE HIS 119 3.888 -9.639 -19.575 947 HE2 HIS 119 2HE HIS 119 4.202 -8.048 -21.483 Start of MODEL 20 1 H1 MET 1 1HT MET 1 1.632 -9.803 -9.883 2 H2 MET 1 2HT MET 1 0.820 -11.170 -10.407 3 H3 MET 1 3HT MET 1 2.477 -11.261 -10.018 4 HA MET 1 HA MET 1 1.077 -12.208 -8.282 5 HB2 MET 1 2HB MET 1 3.249 -10.993 -7.764 6 HB3 MET 1 1HB MET 1 2.302 -9.551 -7.468 7 HG2 MET 1 2HG MET 1 1.181 -10.667 -5.606 8 HG3 MET 1 1HG MET 1 2.118 -12.127 -5.919 9 HE1 MET 1 2HE MET 1 3.016 -12.264 -3.460 10 HE2 MET 1 3HE MET 1 2.047 -10.854 -3.034 11 HE3 MET 1 1HE MET 1 3.755 -10.911 -2.604 12 H PHE 2 H PHE 2 -0.631 -11.864 -6.748 13 HA PHE 2 HA PHE 2 -2.582 -9.943 -7.694 14 HB2 PHE 2 2HB PHE 2 -2.751 -12.076 -5.535 15 HB3 PHE 2 1HB PHE 2 -4.087 -11.056 -6.045 16 HD1 PHE 2 2HD PHE 2 -5.004 -11.322 -8.354 17 HD2 PHE 2 1HD PHE 2 -2.187 -14.056 -6.714 18 HE1 PHE 2 2HE PHE 2 -5.621 -12.984 -10.059 19 HE2 PHE 2 1HE PHE 2 -2.794 -15.712 -8.409 20 HZ PHE 2 HZ PHE 2 -4.516 -15.184 -10.089 21 H ALA 3 H ALA 3 -3.418 -8.320 -6.383 22 HA ALA 3 HA ALA 3 -2.006 -7.830 -3.872 23 HB1 ALA 3 1HB ALA 3 -1.903 -5.436 -4.403 24 HB2 ALA 3 2HB ALA 3 -2.587 -5.759 -5.998 25 HB3 ALA 3 3HB ALA 3 -0.994 -6.391 -5.574 26 H VAL 4 H VAL 4 -3.469 -7.910 -2.386 27 HA VAL 4 HA VAL 4 -6.232 -7.265 -3.060 28 HB VAL 4 HB VAL 4 -5.137 -8.599 -0.557 29 HG11 VAL 4 1HG1 VAL 4 -7.984 -8.323 -1.533 30 HG12 VAL 4 2HG1 VAL 4 -7.269 -7.465 -0.170 31 HG13 VAL 4 3HG1 VAL 4 -7.470 -9.217 -0.101 32 HG21 VAL 4 3HG2 VAL 4 -6.502 -9.846 -2.942 33 HG22 VAL 4 1HG2 VAL 4 -6.040 -10.687 -1.467 34 HG23 VAL 4 2HG2 VAL 4 -4.798 -10.010 -2.521 35 H ILE 5 H ILE 5 -7.177 -5.551 -2.237 36 HA ILE 5 HA ILE 5 -5.513 -3.723 -0.708 37 HB ILE 5 HB ILE 5 -8.194 -3.242 -2.042 38 HG12 ILE 5 2HG1 ILE 5 -5.420 -2.511 -3.023 39 HG13 ILE 5 1HG1 ILE 5 -6.352 -3.877 -3.621 40 HG21 ILE 5 1HG2 ILE 5 -6.125 -1.326 -0.950 41 HG22 ILE 5 2HG2 ILE 5 -7.693 -1.676 -0.224 42 HG23 ILE 5 3HG2 ILE 5 -7.607 -0.867 -1.787 43 HD11 ILE 5 3HD1 ILE 5 -8.059 -2.352 -4.436 44 HD12 ILE 5 1HD1 ILE 5 -6.480 -1.983 -5.130 45 HD13 ILE 5 2HD1 ILE 5 -7.127 -0.977 -3.832 46 H SER 6 H SER 6 -5.876 -3.351 1.379 47 HA SER 6 HA SER 6 -8.056 -4.690 2.701 48 HB2 SER 6 2HB SER 6 -5.801 -4.712 3.718 49 HB3 SER 6 1HB SER 6 -5.793 -2.958 3.742 50 HG SER 6 HG SER 6 -6.975 -4.735 5.472 51 HA PRO 7 HA PRO 7 -10.868 -1.174 2.722 52 HB2 PRO 7 2HB PRO 7 -11.229 -2.061 5.563 53 HB3 PRO 7 1HB PRO 7 -12.460 -1.627 4.363 54 HG2 PRO 7 2HG PRO 7 -12.045 -4.187 4.770 55 HG3 PRO 7 1HG PRO 7 -12.089 -3.584 3.108 56 HD2 PRO 7 2HD PRO 7 -9.699 -4.260 4.786 57 HD3 PRO 7 1HD PRO 7 -10.057 -4.682 3.096 58 H SER 8 H SER 8 -8.256 -1.466 4.997 59 HA SER 8 HA SER 8 -8.567 1.114 6.190 60 HB2 SER 8 2HB SER 8 -6.201 0.684 6.978 61 HB3 SER 8 1HB SER 8 -7.366 -0.550 7.452 62 HG SER 8 HG SER 8 -6.403 -1.976 6.135 63 H ALA 9 H ALA 9 -7.356 -0.003 3.187 64 HA ALA 9 HA ALA 9 -5.624 2.307 2.776 65 HB1 ALA 9 1HB ALA 9 -4.718 0.119 2.230 66 HB2 ALA 9 2HB ALA 9 -4.914 1.058 0.744 67 HB3 ALA 9 3HB ALA 9 -6.073 -0.199 1.159 68 H PHE 10 H PHE 10 -8.743 2.031 2.675 69 HA PHE 10 HA PHE 10 -9.340 2.655 -0.020 70 HB2 PHE 10 2HB PHE 10 -10.969 2.401 2.425 71 HB3 PHE 10 1HB PHE 10 -11.621 3.380 1.111 72 HD1 PHE 10 2HD PHE 10 -9.845 0.169 1.518 73 HD2 PHE 10 1HD PHE 10 -12.946 2.314 -0.392 74 HE1 PHE 10 2HE PHE 10 -10.505 -1.871 0.313 75 HE2 PHE 10 1HE PHE 10 -13.597 0.290 -1.625 76 HZ PHE 10 HZ PHE 10 -12.391 -1.794 -1.267 77 H GLY 11 H GLY 11 -10.369 4.543 -0.810 78 HA2 GLY 11 2HA GLY 11 -10.624 6.842 -1.026 79 HA3 GLY 11 1HA GLY 11 -9.877 7.052 0.557 80 H LYS 12 H LYS 12 -7.628 5.462 0.007 81 HA LYS 12 HA LYS 12 -5.934 7.343 -1.421 82 HB2 LYS 12 2HB LYS 12 -5.341 4.846 0.148 83 HB3 LYS 12 1HB LYS 12 -4.157 6.018 -0.405 84 HG2 LYS 12 2HG LYS 12 -6.399 6.721 1.474 85 HG3 LYS 12 1HG LYS 12 -4.841 6.126 2.037 86 HD2 LYS 12 2HD LYS 12 -5.151 8.539 0.253 87 HD3 LYS 12 1HD LYS 12 -5.126 8.619 2.016 88 HE2 LYS 12 2HE LYS 12 -2.906 7.704 2.093 89 HE3 LYS 12 1HE LYS 12 -2.916 7.398 0.360 90 HZ1 LYS 12 3HZ LYS 12 -2.875 9.618 -0.111 91 HZ2 LYS 12 1HZ LYS 12 -1.690 9.401 1.059 92 HZ3 LYS 12 2HZ LYS 12 -3.189 10.132 1.469 93 H LEU 13 H LEU 13 -7.771 4.845 -2.223 94 HA LEU 13 HA LEU 13 -6.407 2.842 -3.548 95 HB2 LEU 13 2HB LEU 13 -8.977 4.122 -4.457 96 HB3 LEU 13 1HB LEU 13 -8.407 2.531 -4.897 97 HG LEU 13 HG LEU 13 -9.232 3.395 -2.125 98 HD11 LEU 13 1HD1 LEU 13 -10.607 1.635 -4.146 99 HD12 LEU 13 2HD1 LEU 13 -11.114 3.252 -3.659 100 HD13 LEU 13 3HD1 LEU 13 -11.150 1.929 -2.495 101 HD21 LEU 13 3HD2 LEU 13 -8.449 0.696 -3.210 102 HD22 LEU 13 1HD2 LEU 13 -9.077 1.010 -1.592 103 HD23 LEU 13 2HD2 LEU 13 -7.514 1.671 -2.072 104 H LYS 14 H LYS 14 -7.269 6.009 -4.707 105 HA LYS 14 HA LYS 14 -6.737 5.566 -7.440 106 HB2 LYS 14 2HB LYS 14 -6.847 8.164 -5.906 107 HB3 LYS 14 1HB LYS 14 -6.990 7.988 -7.657 108 HG2 LYS 14 2HG LYS 14 -9.017 6.709 -7.412 109 HG3 LYS 14 1HG LYS 14 -8.861 6.729 -5.662 110 HD2 LYS 14 2HD LYS 14 -9.119 9.192 -5.720 111 HD3 LYS 14 1HD LYS 14 -9.385 9.090 -7.465 112 HE2 LYS 14 2HE LYS 14 -11.311 7.631 -7.104 113 HE3 LYS 14 1HE LYS 14 -11.032 7.679 -5.370 114 HZ1 LYS 14 3HZ LYS 14 -11.852 9.958 -7.096 115 HZ2 LYS 14 1HZ LYS 14 -11.460 10.079 -5.451 116 HZ3 LYS 14 2HZ LYS 14 -12.762 9.149 -5.902 117 H GLU 15 H GLU 15 -4.715 6.609 -4.777 118 HA GLU 15 HA GLU 15 -2.578 7.531 -6.414 119 HB2 GLU 15 2HB GLU 15 -2.646 6.760 -3.498 120 HB3 GLU 15 1HB GLU 15 -1.238 7.440 -4.301 121 HG2 GLU 15 2HG GLU 15 -2.523 9.451 -4.824 122 HG3 GLU 15 1HG GLU 15 -3.914 8.769 -3.988 123 H ILE 16 H ILE 16 -3.157 4.550 -4.603 124 HA ILE 16 HA ILE 16 -0.694 3.385 -5.384 125 HB ILE 16 HB ILE 16 -1.631 1.215 -4.549 126 HG12 ILE 16 2HG1 ILE 16 -4.077 2.890 -3.889 127 HG13 ILE 16 1HG1 ILE 16 -4.016 1.617 -5.096 128 HG21 ILE 16 1HG2 ILE 16 -0.419 2.698 -3.076 129 HG22 ILE 16 2HG2 ILE 16 -1.728 1.900 -2.205 130 HG23 ILE 16 3HG2 ILE 16 -1.906 3.579 -2.724 131 HD11 ILE 16 3HD1 ILE 16 -3.599 -0.022 -3.316 132 HD12 ILE 16 1HD1 ILE 16 -5.107 0.861 -3.069 133 HD13 ILE 16 2HD1 ILE 16 -3.679 1.278 -2.123 134 H LEU 17 H LEU 17 -3.951 3.089 -6.648 135 HA LEU 17 HA LEU 17 -3.315 1.054 -8.505 136 HB2 LEU 17 2HB LEU 17 -5.558 1.443 -7.645 137 HB3 LEU 17 1HB LEU 17 -5.591 3.022 -8.388 138 HG LEU 17 HG LEU 17 -5.638 1.992 -10.608 139 HD11 LEU 17 1HD1 LEU 17 -5.956 -0.418 -10.828 140 HD12 LEU 17 2HD1 LEU 17 -5.685 -0.623 -9.097 141 HD13 LEU 17 3HD1 LEU 17 -4.377 -0.049 -10.136 142 HD21 LEU 17 3HD2 LEU 17 -7.862 0.953 -10.399 143 HD22 LEU 17 1HD2 LEU 17 -7.727 2.481 -9.518 144 HD23 LEU 17 2HD2 LEU 17 -7.661 0.948 -8.653 145 H GLY 18 H GLY 18 -3.703 4.592 -8.790 146 HA2 GLY 18 2HA GLY 18 -3.284 4.651 -11.575 147 HA3 GLY 18 1HA GLY 18 -3.249 6.025 -10.483 148 H SER 19 H SER 19 -1.037 4.879 -8.883 149 HA SER 19 HA SER 19 1.019 5.852 -10.693 150 HB2 SER 19 2HB SER 19 1.321 5.167 -7.770 151 HB3 SER 19 1HB SER 19 2.381 6.178 -8.753 152 HG SER 19 HG SER 19 -0.182 6.663 -7.773 153 H ASN 20 H ASN 20 -0.081 2.771 -9.664 154 HA ASN 20 HA ASN 20 2.647 1.745 -10.078 155 HB2 ASN 20 2HB ASN 20 1.732 1.437 -7.794 156 HB3 ASN 20 1HB ASN 20 0.509 0.386 -8.484 157 HD21 ASN 20 1HD2 ASN 20 1.257 -1.363 -7.287 158 HD22 ASN 20 2HD2 ASN 20 2.718 -2.184 -7.717 159 H LYS 21 H LYS 21 -0.727 0.622 -10.488 160 HA LYS 21 HA LYS 21 -1.596 -1.118 -11.686 161 HB2 LYS 21 2HB LYS 21 0.529 -0.312 -13.735 162 HB3 LYS 21 1HB LYS 21 -0.786 -1.413 -14.057 163 HG2 LYS 21 2HG LYS 21 -1.577 0.496 -15.030 164 HG3 LYS 21 1HG LYS 21 -2.282 0.643 -13.426 165 HD2 LYS 21 2HD LYS 21 -0.594 2.227 -12.768 166 HD3 LYS 21 1HD LYS 21 0.309 1.954 -14.262 167 HE2 LYS 21 2HE LYS 21 -1.663 2.781 -15.539 168 HE3 LYS 21 1HE LYS 21 -2.435 3.180 -14.006 169 HZ1 LYS 21 3HZ LYS 21 -0.677 4.756 -13.553 170 HZ2 LYS 21 1HZ LYS 21 -1.381 5.088 -15.033 171 HZ3 LYS 21 2HZ LYS 21 0.115 4.362 -15.007 172 H ASN 22 H ASN 22 -0.193 -2.996 -13.480 173 HA ASN 22 HA ASN 22 1.224 -4.699 -13.661 174 HB2 ASN 22 2HB ASN 22 2.864 -3.202 -11.627 175 HB3 ASN 22 1HB ASN 22 3.403 -4.693 -12.383 176 HD21 ASN 22 1HD2 ASN 22 2.704 -1.300 -12.891 177 HD22 ASN 22 2HD2 ASN 22 3.484 -1.179 -14.421 178 H TYR 23 H TYR 23 -0.238 -4.186 -10.715 179 HA TYR 23 HA TYR 23 0.166 -7.008 -10.004 180 HB2 TYR 23 2HB TYR 23 -0.601 -4.627 -8.312 181 HB3 TYR 23 1HB TYR 23 -0.902 -6.270 -7.784 182 HD1 TYR 23 1HD TYR 23 0.946 -7.729 -7.155 183 HD2 TYR 23 2HD TYR 23 1.647 -3.707 -8.327 184 HE1 TYR 23 1HE TYR 23 3.196 -7.849 -6.172 185 HE2 TYR 23 2HE TYR 23 3.912 -3.811 -7.330 186 HH TYR 23 HH TYR 23 5.342 -6.765 -6.385 187 H LYS 24 H LYS 24 -1.677 -8.258 -9.604 188 HA LYS 24 HA LYS 24 -3.995 -7.224 -10.948 189 HB2 LYS 24 2HB LYS 24 -3.281 -9.556 -11.388 190 HB3 LYS 24 1HB LYS 24 -3.509 -9.951 -9.701 191 HG2 LYS 24 2HG LYS 24 -5.349 -10.869 -10.936 192 HG3 LYS 24 1HG LYS 24 -5.961 -9.521 -9.991 193 HD2 LYS 24 2HD LYS 24 -5.140 -9.117 -12.856 194 HD3 LYS 24 1HD LYS 24 -6.700 -9.833 -12.480 195 HE2 LYS 24 2HE LYS 24 -7.397 -7.873 -11.306 196 HE3 LYS 24 1HE LYS 24 -5.806 -7.144 -11.391 197 HZ1 LYS 24 3HZ LYS 24 -6.045 -6.995 -13.784 198 HZ2 LYS 24 1HZ LYS 24 -7.322 -6.217 -13.016 199 HZ3 LYS 24 2HZ LYS 24 -7.561 -7.718 -13.732 200 H PHE 25 H PHE 25 -4.912 -5.758 -9.649 201 HA PHE 25 HA PHE 25 -4.967 -6.019 -6.825 202 HB2 PHE 25 2HB PHE 25 -6.295 -4.061 -8.680 203 HB3 PHE 25 1HB PHE 25 -6.350 -3.931 -6.922 204 HD1 PHE 25 1HD PHE 25 -4.285 -3.398 -5.677 205 HD2 PHE 25 2HD PHE 25 -4.371 -3.443 -9.928 206 HE1 PHE 25 1HE PHE 25 -2.180 -2.126 -5.731 207 HE2 PHE 25 2HE PHE 25 -2.261 -2.177 -9.987 208 HZ PHE 25 HZ PHE 25 -1.163 -1.516 -7.887 209 H VAL 26 H VAL 26 -6.429 -6.771 -5.563 210 HA VAL 26 HA VAL 26 -9.035 -7.608 -6.632 211 HB VAL 26 HB VAL 26 -7.365 -9.121 -4.608 212 HG11 VAL 26 1HG1 VAL 26 -9.733 -9.477 -4.310 213 HG12 VAL 26 2HG1 VAL 26 -8.974 -10.944 -4.929 214 HG13 VAL 26 3HG1 VAL 26 -9.909 -9.909 -6.009 215 HG21 VAL 26 3HG2 VAL 26 -7.001 -10.838 -6.343 216 HG22 VAL 26 1HG2 VAL 26 -6.272 -9.288 -6.774 217 HG23 VAL 26 2HG2 VAL 26 -7.790 -9.789 -7.521 218 H ILE 27 H ILE 27 -10.707 -7.111 -5.312 219 HA ILE 27 HA ILE 27 -10.111 -6.194 -2.607 220 HB ILE 27 HB ILE 27 -10.759 -4.274 -4.080 221 HG12 ILE 27 2HG1 ILE 27 -12.543 -3.338 -2.685 222 HG13 ILE 27 1HG1 ILE 27 -12.913 -4.942 -2.063 223 HG21 ILE 27 1HG2 ILE 27 -13.368 -5.731 -4.406 224 HG22 ILE 27 2HG2 ILE 27 -12.159 -5.474 -5.665 225 HG23 ILE 27 3HG2 ILE 27 -13.023 -4.099 -4.974 226 HD11 ILE 27 3HD1 ILE 27 -10.334 -3.443 -1.658 227 HD12 ILE 27 1HD1 ILE 27 -10.699 -5.047 -1.024 228 HD13 ILE 27 2HD1 ILE 27 -11.617 -3.656 -0.467 229 H THR 28 H THR 28 -12.015 -6.568 -1.106 230 HA THR 28 HA THR 28 -13.200 -9.117 -1.760 231 HB THR 28 HB THR 28 -13.618 -9.108 0.716 232 HG1 THR 28 1HG THR 28 -12.608 -7.517 1.898 233 HG21 THR 28 3HG2 THR 28 -11.701 -10.221 -0.364 234 HG22 THR 28 1HG2 THR 28 -11.310 -9.610 1.243 235 HG23 THR 28 2HG2 THR 28 -10.766 -8.736 -0.191 236 H THR 29 H THR 29 -15.420 -9.480 -0.924 237 HA THR 29 HA THR 29 -17.230 -7.573 -1.838 238 HB THR 29 HB THR 29 -18.834 -9.098 -0.412 239 HG1 THR 29 1HG THR 29 -16.631 -10.119 0.451 240 HG21 THR 29 3HG2 THR 29 -18.783 -8.985 -2.848 241 HG22 THR 29 1HG2 THR 29 -18.887 -10.664 -2.323 242 HG23 THR 29 2HG2 THR 29 -17.347 -10.004 -2.889 243 H LEU 30 H LEU 30 -16.053 -8.316 1.415 244 HA LEU 30 HA LEU 30 -17.839 -6.437 2.611 245 HB2 LEU 30 2HB LEU 30 -15.318 -7.706 3.685 246 HB3 LEU 30 1HB LEU 30 -16.412 -6.711 4.631 247 HG LEU 30 HG LEU 30 -17.066 -9.390 3.394 248 HD11 LEU 30 1HD1 LEU 30 -15.604 -9.559 5.324 249 HD12 LEU 30 2HD1 LEU 30 -17.219 -10.161 5.693 250 HD13 LEU 30 3HD1 LEU 30 -16.720 -8.572 6.268 251 HD21 LEU 30 3HD2 LEU 30 -19.187 -9.198 4.649 252 HD22 LEU 30 1HD2 LEU 30 -19.036 -7.968 3.394 253 HD23 LEU 30 2HD2 LEU 30 -18.756 -7.546 5.080 254 H GLY 31 H GLY 31 -14.935 -6.225 0.925 255 HA2 GLY 31 2HA GLY 31 -14.031 -3.702 1.938 256 HA3 GLY 31 1HA GLY 31 -13.524 -4.514 0.449 257 H VAL 32 H VAL 32 -15.841 -4.789 -0.906 258 HA VAL 32 HA VAL 32 -16.146 -2.185 -1.955 259 HB VAL 32 HB VAL 32 -17.781 -3.062 -3.541 260 HG11 VAL 32 1HG1 VAL 32 -15.475 -3.525 -4.044 261 HG12 VAL 32 2HG1 VAL 32 -16.493 -4.858 -4.588 262 HG13 VAL 32 3HG1 VAL 32 -15.544 -5.016 -3.110 263 HG21 VAL 32 3HG2 VAL 32 -17.764 -5.578 -1.890 264 HG22 VAL 32 1HG2 VAL 32 -18.537 -5.423 -3.474 265 HG23 VAL 32 2HG2 VAL 32 -19.121 -4.475 -2.104 266 H SER 33 H SER 33 -18.145 -4.062 0.286 267 HA SER 33 HA SER 33 -20.271 -2.196 0.207 268 HB2 SER 33 2HB SER 33 -21.008 -3.408 2.299 269 HB3 SER 33 1HB SER 33 -20.794 -4.425 0.874 270 HG SER 33 HG SER 33 -19.901 -5.248 2.805 271 H PHE 34 H PHE 34 -17.355 -2.551 2.089 272 HA PHE 34 HA PHE 34 -17.810 -0.639 4.073 273 HB2 PHE 34 2HB PHE 34 -15.865 -2.157 4.084 274 HB3 PHE 34 1HB PHE 34 -15.219 -1.357 2.664 275 HD1 PHE 34 1HD PHE 34 -15.927 -0.980 6.261 276 HD2 PHE 34 2HD PHE 34 -13.969 0.662 2.852 277 HE1 PHE 34 1HE PHE 34 -14.675 0.555 7.719 278 HE2 PHE 34 2HE PHE 34 -12.719 2.199 4.308 279 HZ PHE 34 HZ PHE 34 -13.066 2.146 6.737 280 H ALA 35 H ALA 35 -16.586 -0.352 0.797 281 HA ALA 35 HA ALA 35 -16.151 2.420 0.820 282 HB1 ALA 35 1HB ALA 35 -16.123 2.259 -1.617 283 HB2 ALA 35 2HB ALA 35 -16.819 0.639 -1.518 284 HB3 ALA 35 3HB ALA 35 -15.209 0.955 -0.863 285 H ILE 36 H ILE 36 -18.904 0.492 -0.259 286 HA ILE 36 HA ILE 36 -20.542 2.588 -1.113 287 HB ILE 36 HB ILE 36 -21.384 -0.079 0.062 288 HG12 ILE 36 2HG1 ILE 36 -19.973 -0.360 -1.909 289 HG13 ILE 36 1HG1 ILE 36 -21.629 -0.819 -2.275 290 HG21 ILE 36 1HG2 ILE 36 -23.512 0.225 -1.106 291 HG22 ILE 36 2HG2 ILE 36 -23.016 1.850 -1.582 292 HG23 ILE 36 3HG2 ILE 36 -23.245 1.459 0.124 293 HD11 ILE 36 3HD1 ILE 36 -20.281 1.762 -3.057 294 HD12 ILE 36 1HD1 ILE 36 -21.957 1.334 -3.409 295 HD13 ILE 36 2HD1 ILE 36 -20.637 0.401 -4.113 296 H LYS 37 H LYS 37 -20.309 1.115 2.123 297 HA LYS 37 HA LYS 37 -22.439 2.699 3.170 298 HB2 LYS 37 2HB LYS 37 -21.907 1.750 5.338 299 HB3 LYS 37 1HB LYS 37 -21.856 0.501 4.110 300 HG2 LYS 37 2HG LYS 37 -19.382 0.706 4.070 301 HG3 LYS 37 1HG LYS 37 -19.486 1.852 5.400 302 HD2 LYS 37 2HD LYS 37 -18.950 -0.321 6.292 303 HD3 LYS 37 1HD LYS 37 -20.603 0.083 6.763 304 HE2 LYS 37 2HE LYS 37 -21.447 -1.310 4.901 305 HE3 LYS 37 1HE LYS 37 -19.797 -1.709 4.466 306 HZ1 LYS 37 3HZ LYS 37 -19.522 -2.871 6.524 307 HZ2 LYS 37 1HZ LYS 37 -20.900 -3.436 5.774 308 HZ3 LYS 37 2HZ LYS 37 -21.026 -2.397 7.091 309 H SER 38 H SER 38 -19.021 3.233 2.859 310 HA SER 38 HA SER 38 -19.236 5.539 4.637 311 HB2 SER 38 2HB SER 38 -17.427 3.895 5.079 312 HB3 SER 38 1HB SER 38 -16.734 4.259 3.503 313 HG SER 38 HG SER 38 -16.821 6.539 4.389 314 H GLY 39 H GLY 39 -19.743 5.024 1.475 315 HA2 GLY 39 2HA GLY 39 -19.988 6.468 -0.296 316 HA3 GLY 39 1HA GLY 39 -19.566 7.777 0.793 317 H ILE 40 H ILE 40 -17.596 4.993 -0.066 318 HA ILE 40 HA ILE 40 -15.518 6.837 -1.041 319 HB ILE 40 HB ILE 40 -15.215 3.902 -0.253 320 HG12 ILE 40 2HG1 ILE 40 -14.576 6.356 1.398 321 HG13 ILE 40 1HG1 ILE 40 -15.960 5.305 1.668 322 HG21 ILE 40 1HG2 ILE 40 -12.810 4.439 -0.120 323 HG22 ILE 40 2HG2 ILE 40 -13.157 6.083 -0.647 324 HG23 ILE 40 3HG2 ILE 40 -13.453 4.731 -1.737 325 HD11 ILE 40 3HD1 ILE 40 -13.050 4.587 1.953 326 HD12 ILE 40 1HD1 ILE 40 -14.392 3.458 2.161 327 HD13 ILE 40 2HD1 ILE 40 -14.216 4.832 3.251 328 H ASP 41 H ASP 41 -14.351 6.140 -3.028 329 HA ASP 41 HA ASP 41 -16.215 5.207 -5.029 330 HB2 ASP 41 2HB ASP 41 -13.285 5.944 -5.302 331 HB3 ASP 41 1HB ASP 41 -14.382 5.620 -6.630 332 H ILE 42 H ILE 42 -16.341 3.218 -5.808 333 HA ILE 42 HA ILE 42 -14.087 1.441 -5.277 334 HB ILE 42 HB ILE 42 -15.751 0.890 -3.613 335 HG12 ILE 42 2HG1 ILE 42 -16.145 -1.510 -4.128 336 HG13 ILE 42 1HG1 ILE 42 -15.625 -1.211 -5.782 337 HG21 ILE 42 1HG2 ILE 42 -17.752 1.723 -4.648 338 HG22 ILE 42 2HG2 ILE 42 -17.980 0.041 -4.174 339 HG23 ILE 42 3HG2 ILE 42 -17.696 0.447 -5.865 340 HD11 ILE 42 3HD1 ILE 42 -13.940 -0.896 -3.303 341 HD12 ILE 42 1HD1 ILE 42 -13.408 -0.555 -4.950 342 HD13 ILE 42 2HD1 ILE 42 -13.836 -2.198 -4.487 343 H ASP 43 H ASP 43 -16.896 2.034 -7.322 344 HA ASP 43 HA ASP 43 -16.280 -0.018 -9.183 345 HB2 ASP 43 2HB ASP 43 -18.068 2.383 -9.375 346 HB3 ASP 43 1HB ASP 43 -17.712 1.425 -10.800 347 H SER 44 H SER 44 -15.293 3.288 -8.865 348 HA SER 44 HA SER 44 -14.077 3.735 -11.290 349 HB2 SER 44 2HB SER 44 -13.027 4.523 -8.579 350 HB3 SER 44 1HB SER 44 -12.864 5.402 -10.103 351 HG SER 44 HG SER 44 -14.903 6.001 -10.029 352 H ALA 45 H ALA 45 -12.931 2.009 -8.425 353 HA ALA 45 HA ALA 45 -10.295 1.537 -9.408 354 HB1 ALA 45 1HB ALA 45 -10.063 0.074 -7.454 355 HB2 ALA 45 2HB ALA 45 -11.798 0.179 -7.164 356 HB3 ALA 45 3HB ALA 45 -10.792 1.615 -6.999 357 H LEU 46 H LEU 46 -13.252 -0.365 -9.125 358 HA LEU 46 HA LEU 46 -12.331 -2.795 -10.158 359 HB2 LEU 46 2HB LEU 46 -15.074 -1.573 -10.469 360 HB3 LEU 46 1HB LEU 46 -14.685 -3.263 -10.688 361 HG LEU 46 HG LEU 46 -14.525 -1.746 -8.079 362 HD11 LEU 46 1HD1 LEU 46 -16.490 -3.811 -9.037 363 HD12 LEU 46 2HD1 LEU 46 -16.814 -2.096 -8.786 364 HD13 LEU 46 3HD1 LEU 46 -16.422 -3.128 -7.415 365 HD21 LEU 46 3HD2 LEU 46 -14.099 -4.674 -8.672 366 HD22 LEU 46 1HD2 LEU 46 -14.170 -3.953 -7.064 367 HD23 LEU 46 2HD2 LEU 46 -12.862 -3.522 -8.164 368 H ASP 47 H ASP 47 -13.746 -0.015 -11.776 369 HA ASP 47 HA ASP 47 -13.720 -0.941 -14.409 370 HB2 ASP 47 2HB ASP 47 -14.982 1.007 -13.794 371 HB3 ASP 47 1HB ASP 47 -13.527 1.846 -13.274 372 H ARG 48 H ARG 48 -11.253 0.719 -12.530 373 HA ARG 48 HA ARG 48 -9.466 0.936 -14.747 374 HB2 ARG 48 2HB ARG 48 -9.092 1.410 -11.833 375 HB3 ARG 48 1HB ARG 48 -7.783 1.606 -12.998 376 HG2 ARG 48 2HG ARG 48 -9.173 3.307 -14.147 377 HG3 ARG 48 1HG ARG 48 -10.371 3.130 -12.854 378 HD2 ARG 48 2HD ARG 48 -8.671 3.681 -11.219 379 HD3 ARG 48 1HD ARG 48 -7.498 3.924 -12.505 380 HE ARG 48 HE ARG 48 -9.932 5.520 -12.533 381 HH11 ARG 48 1HH1 ARG 48 -6.413 5.370 -12.179 382 HH12 ARG 48 2HH1 ARG 48 -6.201 7.033 -11.952 383 HH21 ARG 48 1HH2 ARG 48 -9.657 7.825 -12.239 384 HH22 ARG 48 2HH2 ARG 48 -8.098 8.478 -11.955 385 H GLY 49 H GLY 49 -10.287 -1.703 -12.906 386 HA2 GLY 49 2HA GLY 49 -9.160 -3.678 -14.012 387 HA3 GLY 49 1HA GLY 49 -7.670 -2.879 -13.577 388 H VAL 50 H VAL 50 -9.852 -2.503 -11.047 389 HA VAL 50 HA VAL 50 -8.549 -4.639 -9.579 390 HB VAL 50 HB VAL 50 -10.621 -2.607 -8.639 391 HG11 VAL 50 1HG1 VAL 50 -10.631 -4.601 -7.233 392 HG12 VAL 50 2HG1 VAL 50 -9.957 -3.226 -6.362 393 HG13 VAL 50 3HG1 VAL 50 -8.886 -4.470 -7.013 394 HG21 VAL 50 3HG2 VAL 50 -8.576 -1.487 -9.271 395 HG22 VAL 50 1HG2 VAL 50 -7.623 -2.618 -8.308 396 HG23 VAL 50 2HG2 VAL 50 -8.722 -1.506 -7.511 397 H ILE 51 H ILE 51 -9.561 -6.491 -8.895 398 HA ILE 51 HA ILE 51 -12.307 -6.926 -9.887 399 HB ILE 51 HB ILE 51 -11.761 -9.358 -9.966 400 HG12 ILE 51 2HG1 ILE 51 -8.922 -8.433 -9.430 401 HG13 ILE 51 1HG1 ILE 51 -9.932 -9.344 -8.317 402 HG21 ILE 51 1HG2 ILE 51 -10.382 -9.283 -12.001 403 HG22 ILE 51 2HG2 ILE 51 -9.981 -7.600 -11.653 404 HG23 ILE 51 3HG2 ILE 51 -11.647 -8.056 -12.007 405 HD11 ILE 51 3HD1 ILE 51 -8.303 -10.776 -9.410 406 HD12 ILE 51 1HD1 ILE 51 -8.931 -10.300 -10.987 407 HD13 ILE 51 2HD1 ILE 51 -9.946 -11.219 -9.876 408 H VAL 52 H VAL 52 -13.473 -8.715 -8.551 409 HA VAL 52 HA VAL 52 -12.864 -8.160 -5.735 410 HB VAL 52 HB VAL 52 -14.860 -6.906 -6.536 411 HG11 VAL 52 1HG1 VAL 52 -15.672 -8.423 -8.219 412 HG12 VAL 52 2HG1 VAL 52 -16.945 -8.059 -7.056 413 HG13 VAL 52 3HG1 VAL 52 -16.096 -9.606 -6.984 414 HG21 VAL 52 3HG2 VAL 52 -15.503 -9.049 -4.510 415 HG22 VAL 52 1HG2 VAL 52 -16.408 -7.553 -4.731 416 HG23 VAL 52 2HG2 VAL 52 -14.737 -7.497 -4.177 417 H ARG 53 H ARG 53 -13.087 -9.791 -4.270 418 HA ARG 53 HA ARG 53 -14.083 -12.365 -5.200 419 HB2 ARG 53 2HB ARG 53 -11.484 -11.891 -3.791 420 HB3 ARG 53 1HB ARG 53 -12.331 -13.423 -3.645 421 HG2 ARG 53 2HG ARG 53 -12.274 -13.602 -6.131 422 HG3 ARG 53 1HG ARG 53 -11.240 -12.168 -6.148 423 HD2 ARG 53 2HD ARG 53 -9.625 -13.245 -4.802 424 HD3 ARG 53 1HD ARG 53 -10.646 -14.661 -4.588 425 HE ARG 53 HE ARG 53 -9.675 -13.882 -7.255 426 HH11 ARG 53 1HH1 ARG 53 -10.013 -16.371 -4.700 427 HH12 ARG 53 2HH1 ARG 53 -9.307 -17.590 -5.641 428 HH21 ARG 53 1HH2 ARG 53 -8.669 -15.566 -8.472 429 HH22 ARG 53 2HH2 ARG 53 -8.477 -17.130 -7.811 430 H ALA 54 H ALA 54 -14.763 -13.787 -3.436 431 HA ALA 54 HA ALA 54 -15.473 -12.330 -1.005 432 HB1 ALA 54 1HB ALA 54 -17.367 -13.936 -2.705 433 HB2 ALA 54 2HB ALA 54 -17.337 -12.179 -2.580 434 HB3 ALA 54 3HB ALA 54 -17.749 -13.155 -1.169 435 H PHE 55 H PHE 55 -15.132 -13.547 0.752 436 HA PHE 55 HA PHE 55 -14.886 -16.416 0.364 437 HB2 PHE 55 2HB PHE 55 -13.644 -14.562 2.259 438 HB3 PHE 55 1HB PHE 55 -14.168 -16.093 2.957 439 HD1 PHE 55 1HD PHE 55 -13.767 -17.990 0.920 440 HD2 PHE 55 2HD PHE 55 -11.362 -14.670 1.961 441 HE1 PHE 55 1HE PHE 55 -11.853 -19.161 0.056 442 HE2 PHE 55 2HE PHE 55 -9.394 -15.823 1.087 443 HZ PHE 55 HZ PHE 55 -9.622 -18.085 0.108 444 H SER 56 H SER 56 -16.024 -17.914 1.470 445 HA SER 56 HA SER 56 -18.409 -16.892 2.756 446 HB2 SER 56 2HB SER 56 -17.753 -19.718 1.885 447 HB3 SER 56 1HB SER 56 -19.329 -19.108 2.395 448 HG SER 56 HG SER 56 -18.715 -17.475 0.567 449 H HIS 57 H HIS 57 -15.776 -19.290 3.351 450 HA HIS 57 HA HIS 57 -16.011 -18.582 6.153 451 HB2 HIS 57 2HB HIS 57 -16.111 -20.908 6.978 452 HB3 HIS 57 1HB HIS 57 -17.549 -20.472 6.080 453 HD1 HIS 57 1HD HIS 57 -16.381 -23.446 6.653 454 HD2 HIS 57 2HD HIS 57 -16.078 -21.342 3.087 455 HE1 HIS 57 1HE HIS 57 -16.167 -25.170 4.868 456 HE2 HIS 57 2HE HIS 57 -15.725 -23.862 2.780 457 H LYS 58 H LYS 58 -14.068 -17.736 6.259 458 HA LYS 58 HA LYS 58 -11.882 -19.640 6.437 459 HB2 LYS 58 2HB LYS 58 -11.689 -16.901 5.148 460 HB3 LYS 58 1HB LYS 58 -10.296 -17.837 5.656 461 HG2 LYS 58 2HG LYS 58 -12.296 -18.664 3.571 462 HG3 LYS 58 1HG LYS 58 -10.703 -17.983 3.253 463 HD2 LYS 58 2HD LYS 58 -9.644 -19.911 4.302 464 HD3 LYS 58 1HD LYS 58 -11.228 -20.566 4.726 465 HE2 LYS 58 2HE LYS 58 -11.800 -20.689 2.350 466 HE3 LYS 58 1HE LYS 58 -10.197 -20.088 1.940 467 HZ1 LYS 58 3HZ LYS 58 -10.501 -22.511 1.789 468 HZ2 LYS 58 1HZ LYS 58 -10.696 -22.589 3.448 469 HZ3 LYS 58 2HZ LYS 58 -9.220 -22.088 2.788 470 HA PRO 59 HA PRO 59 -12.178 -17.203 10.186 471 HB2 PRO 59 2HB PRO 59 -10.945 -19.317 11.673 472 HB3 PRO 59 1HB PRO 59 -12.646 -18.858 11.667 473 HG2 PRO 59 2HG PRO 59 -11.632 -21.239 10.652 474 HG3 PRO 59 1HG PRO 59 -13.204 -20.542 10.235 475 HD2 PRO 59 2HD PRO 59 -10.629 -20.473 8.724 476 HD3 PRO 59 1HD PRO 59 -12.304 -20.591 8.127 477 HA PRO 60 HA PRO 60 -7.735 -16.274 10.228 478 HB2 PRO 60 2HB PRO 60 -8.144 -13.613 10.872 479 HB3 PRO 60 1HB PRO 60 -8.054 -14.243 9.228 480 HG2 PRO 60 2HG PRO 60 -10.339 -13.151 10.589 481 HG3 PRO 60 1HG PRO 60 -10.233 -13.744 8.924 482 HD2 PRO 60 2HD PRO 60 -11.306 -15.053 11.321 483 HD3 PRO 60 1HD PRO 60 -11.587 -15.411 9.601 484 H LYS 61 H LYS 61 -6.403 -16.323 12.065 485 HA LYS 61 HA LYS 61 -7.829 -16.129 14.554 486 HB2 LYS 61 2HB LYS 61 -6.171 -17.942 14.237 487 HB3 LYS 61 1HB LYS 61 -4.904 -16.730 14.077 488 HG2 LYS 61 2HG LYS 61 -5.210 -16.013 16.322 489 HG3 LYS 61 1HG LYS 61 -6.637 -17.028 16.505 490 HD2 LYS 61 2HD LYS 61 -5.251 -19.016 16.200 491 HD3 LYS 61 1HD LYS 61 -3.819 -18.003 16.044 492 HE2 LYS 61 2HE LYS 61 -4.002 -18.876 18.311 493 HE3 LYS 61 1HE LYS 61 -4.222 -17.125 18.312 494 HZ1 LYS 61 3HZ LYS 61 -6.607 -17.458 18.440 495 HZ2 LYS 61 1HZ LYS 61 -5.853 -18.271 19.711 496 HZ3 LYS 61 2HZ LYS 61 -6.405 -19.126 18.368 497 H VAL 62 H VAL 62 -8.234 -14.272 15.296 498 HA VAL 62 HA VAL 62 -6.223 -12.289 15.747 499 HB VAL 62 HB VAL 62 -7.657 -10.438 14.808 500 HG11 VAL 62 1HG1 VAL 62 -6.701 -12.433 12.770 501 HG12 VAL 62 2HG1 VAL 62 -5.767 -11.121 13.488 502 HG13 VAL 62 3HG1 VAL 62 -7.129 -10.761 12.419 503 HG21 VAL 62 3HG2 VAL 62 -9.798 -11.589 14.749 504 HG22 VAL 62 1HG2 VAL 62 -9.198 -12.683 13.501 505 HG23 VAL 62 2HG2 VAL 62 -9.396 -10.966 13.148 506 H GLY 63 H GLY 63 -7.160 -10.638 17.238 507 HA2 GLY 63 2HA GLY 63 -9.618 -11.599 18.552 508 HA3 GLY 63 1HA GLY 63 -8.188 -11.205 19.492 509 H ASN 64 H ASN 64 -8.564 -9.209 16.820 510 HA ASN 64 HA ASN 64 -10.217 -7.273 18.224 511 HB2 ASN 64 2HB ASN 64 -8.620 -5.442 18.136 512 HB3 ASN 64 1HB ASN 64 -7.944 -6.763 19.074 513 HD21 ASN 64 1HD2 ASN 64 -6.767 -4.497 17.497 514 HD22 ASN 64 2HD2 ASN 64 -5.611 -5.254 16.448 515 H LEU 65 H LEU 65 -8.350 -8.076 15.344 516 HA LEU 65 HA LEU 65 -9.292 -6.065 13.703 517 HB2 LEU 65 2HB LEU 65 -8.349 -8.840 13.023 518 HB3 LEU 65 1HB LEU 65 -8.635 -7.589 11.833 519 HG LEU 65 HG LEU 65 -6.524 -7.540 14.000 520 HD11 LEU 65 1HD1 LEU 65 -6.006 -9.048 12.171 521 HD12 LEU 65 2HD1 LEU 65 -4.971 -7.622 12.122 522 HD13 LEU 65 3HD1 LEU 65 -6.329 -7.764 11.009 523 HD21 LEU 65 3HD2 LEU 65 -7.157 -5.511 11.857 524 HD22 LEU 65 1HD2 LEU 65 -5.734 -5.487 12.904 525 HD23 LEU 65 2HD2 LEU 65 -7.341 -5.284 13.599 526 HA PRO 66 HA PRO 66 -13.480 -7.364 12.965 527 HB2 PRO 66 2HB PRO 66 -14.173 -5.394 11.294 528 HB3 PRO 66 1HB PRO 66 -13.854 -5.087 13.009 529 HG2 PRO 66 2HG PRO 66 -12.108 -4.601 10.636 530 HG3 PRO 66 1HG PRO 66 -12.357 -3.596 12.069 531 HD2 PRO 66 2HD PRO 66 -10.205 -5.289 11.696 532 HD3 PRO 66 1HD PRO 66 -10.791 -4.709 13.267 533 H GLN 67 H GLN 67 -14.665 -8.423 11.494 534 HA GLN 67 HA GLN 67 -13.490 -10.143 9.751 535 HB2 GLN 67 2HB GLN 67 -15.734 -10.421 10.724 536 HB3 GLN 67 1HB GLN 67 -16.361 -9.231 9.596 537 HG2 GLN 67 2HG GLN 67 -15.678 -10.699 7.727 538 HG3 GLN 67 1HG GLN 67 -15.170 -11.910 8.900 539 HE21 GLN 67 1HE2 GLN 67 -17.179 -12.124 6.827 540 HE22 GLN 67 2HE2 GLN 67 -18.656 -12.504 7.624 541 H TYR 68 H TYR 68 -14.799 -6.958 8.876 542 HA TYR 68 HA TYR 68 -14.811 -7.416 6.123 543 HB2 TYR 68 2HB TYR 68 -14.856 -4.963 5.751 544 HB3 TYR 68 1HB TYR 68 -16.006 -5.470 6.967 545 HD1 TYR 68 2HD TYR 68 -12.655 -3.907 6.544 546 HD2 TYR 68 1HD TYR 68 -16.041 -4.334 9.070 547 HE1 TYR 68 2HE TYR 68 -11.784 -2.141 7.967 548 HE2 TYR 68 1HE TYR 68 -15.173 -2.534 10.528 549 HH TYR 68 HH TYR 68 -12.995 -1.471 11.069 550 H GLU 69 H GLU 69 -12.092 -6.334 8.117 551 HA GLU 69 HA GLU 69 -10.555 -6.167 5.692 552 HB2 GLU 69 2HB GLU 69 -8.669 -5.366 7.120 553 HB3 GLU 69 1HB GLU 69 -10.098 -4.361 7.222 554 HG2 GLU 69 2HG GLU 69 -9.190 -4.509 9.392 555 HG3 GLU 69 1HG GLU 69 -10.626 -5.532 9.375 556 H SER 70 H SER 70 -11.100 -8.263 8.308 557 HA SER 70 HA SER 70 -9.000 -10.017 7.954 558 HB2 SER 70 2HB SER 70 -11.829 -10.658 8.761 559 HB3 SER 70 1HB SER 70 -10.405 -11.642 9.076 560 HG SER 70 HG SER 70 -10.022 -9.092 10.001 561 H GLU 71 H GLU 71 -12.087 -9.750 6.206 562 HA GLU 71 HA GLU 71 -11.736 -12.084 4.611 563 HB2 GLU 71 2HB GLU 71 -13.929 -10.900 4.755 564 HB3 GLU 71 1HB GLU 71 -13.237 -9.527 3.902 565 HG2 GLU 71 2HG GLU 71 -12.909 -10.874 1.916 566 HG3 GLU 71 1HG GLU 71 -13.469 -12.309 2.759 567 H ALA 72 H ALA 72 -10.727 -8.727 4.215 568 HA ALA 72 HA ALA 72 -9.456 -9.071 1.710 569 HB1 ALA 72 1HB ALA 72 -9.854 -6.851 2.704 570 HB2 ALA 72 2HB ALA 72 -8.164 -7.067 2.247 571 HB3 ALA 72 3HB ALA 72 -8.643 -7.195 3.939 572 H ILE 73 H ILE 73 -8.199 -9.451 4.994 573 HA ILE 73 HA ILE 73 -5.601 -10.234 4.299 574 HB ILE 73 HB ILE 73 -7.200 -11.099 6.734 575 HG12 ILE 73 2HG1 ILE 73 -5.220 -8.832 6.397 576 HG13 ILE 73 1HG1 ILE 73 -6.962 -8.652 6.557 577 HG21 ILE 73 1HG2 ILE 73 -5.019 -11.554 7.780 578 HG22 ILE 73 2HG2 ILE 73 -4.214 -11.176 6.258 579 HG23 ILE 73 3HG2 ILE 73 -5.289 -12.571 6.362 580 HD11 ILE 73 3HD1 ILE 73 -6.849 -9.584 8.815 581 HD12 ILE 73 1HD1 ILE 73 -5.825 -8.159 8.652 582 HD13 ILE 73 2HD1 ILE 73 -5.105 -9.768 8.649 583 H MET 74 H MET 74 -8.516 -12.205 4.821 584 HA MET 74 HA MET 74 -7.197 -14.674 4.442 585 HB2 MET 74 2HB MET 74 -10.119 -14.007 4.225 586 HB3 MET 74 1HB MET 74 -9.478 -15.633 4.125 587 HG2 MET 74 2HG MET 74 -9.163 -13.826 6.515 588 HG3 MET 74 1HG MET 74 -10.450 -14.997 6.338 589 HE1 MET 74 3HE MET 74 -6.084 -15.833 7.552 590 HE2 MET 74 1HE MET 74 -6.810 -14.260 7.330 591 HE3 MET 74 2HE MET 74 -6.258 -15.214 5.932 592 H VAL 75 H VAL 75 -8.892 -12.610 2.134 593 HA VAL 75 HA VAL 75 -8.569 -14.465 0.002 594 HB VAL 75 HB VAL 75 -9.023 -11.445 -0.083 595 HG11 VAL 75 1HG1 VAL 75 -9.136 -13.422 -2.373 596 HG12 VAL 75 2HG1 VAL 75 -7.902 -12.183 -2.152 597 HG13 VAL 75 3HG1 VAL 75 -9.573 -11.714 -2.460 598 HG21 VAL 75 3HG2 VAL 75 -10.888 -13.804 -0.501 599 HG22 VAL 75 1HG2 VAL 75 -11.336 -12.133 -0.805 600 HG23 VAL 75 2HG2 VAL 75 -10.941 -12.649 0.816 601 H ALA 76 H ALA 76 -6.532 -11.928 1.280 602 HA ALA 76 HA ALA 76 -4.505 -12.173 -0.683 603 HB1 ALA 76 1HB ALA 76 -4.723 -10.202 0.774 604 HB2 ALA 76 2HB ALA 76 -3.112 -10.911 0.866 605 HB3 ALA 76 3HB ALA 76 -4.275 -11.191 2.163 606 H PHE 77 H PHE 77 -5.167 -13.770 2.321 607 HA PHE 77 HA PHE 77 -2.795 -15.268 2.646 608 HB2 PHE 77 2HB PHE 77 -4.386 -14.925 4.454 609 HB3 PHE 77 1HB PHE 77 -5.640 -15.742 3.537 610 HD1 PHE 77 2HD PHE 77 -2.457 -16.234 5.326 611 HD2 PHE 77 1HD PHE 77 -5.924 -18.067 3.699 612 HE1 PHE 77 2HE PHE 77 -1.889 -18.334 6.487 613 HE2 PHE 77 1HE PHE 77 -5.369 -20.168 4.855 614 HZ PHE 77 HZ PHE 77 -3.347 -20.301 6.250 615 H GLU 78 H GLU 78 -5.869 -15.968 1.111 616 HA GLU 78 HA GLU 78 -5.517 -18.611 0.357 617 HB2 GLU 78 2HB GLU 78 -7.638 -17.413 0.307 618 HB3 GLU 78 1HB GLU 78 -7.044 -16.367 -0.966 619 HG2 GLU 78 2HG GLU 78 -8.574 -18.015 -1.844 620 HG3 GLU 78 1HG GLU 78 -6.963 -18.261 -2.494 621 H LEU 79 H LEU 79 -4.986 -15.688 -1.566 622 HA LEU 79 HA LEU 79 -3.878 -17.179 -3.778 623 HB2 LEU 79 2HB LEU 79 -4.150 -14.222 -3.305 624 HB3 LEU 79 1HB LEU 79 -3.660 -14.961 -4.816 625 HG LEU 79 HG LEU 79 -6.342 -15.350 -3.497 626 HD11 LEU 79 1HD1 LEU 79 -7.202 -13.924 -5.303 627 HD12 LEU 79 2HD1 LEU 79 -5.549 -13.630 -5.849 628 HD13 LEU 79 3HD1 LEU 79 -6.073 -13.054 -4.266 629 HD21 LEU 79 3HD2 LEU 79 -5.696 -17.241 -4.860 630 HD22 LEU 79 1HD2 LEU 79 -5.283 -16.159 -6.197 631 HD23 LEU 79 2HD2 LEU 79 -6.963 -16.314 -5.670 632 H ASN 80 H ASN 80 -2.653 -15.901 -0.955 633 HA ASN 80 HA ASN 80 -0.718 -15.138 -0.150 634 HB2 ASN 80 2HB ASN 80 0.119 -17.436 -0.917 635 HB3 ASN 80 1HB ASN 80 0.667 -16.678 -2.402 636 HD21 ASN 80 1HD2 ASN 80 1.809 -14.275 -1.151 637 HD22 ASN 80 2HD2 ASN 80 3.175 -14.802 -0.242 638 H ALA 81 H ALA 81 -1.669 -13.290 -0.920 639 HA ALA 81 HA ALA 81 -0.513 -12.103 -3.330 640 HB1 ALA 81 1HB ALA 81 -2.408 -10.620 -3.311 641 HB2 ALA 81 2HB ALA 81 -2.939 -11.281 -1.769 642 HB3 ALA 81 3HB ALA 81 -2.951 -12.298 -3.213 643 H LEU 82 H LEU 82 -0.525 -9.660 -3.160 644 HA LEU 82 HA LEU 82 1.148 -8.835 -0.936 645 HB2 LEU 82 2HB LEU 82 1.546 -8.442 -3.486 646 HB3 LEU 82 1HB LEU 82 0.222 -7.315 -3.397 647 HG LEU 82 HG LEU 82 2.358 -6.177 -3.441 648 HD11 LEU 82 1HD1 LEU 82 2.173 -4.754 -1.500 649 HD12 LEU 82 2HD1 LEU 82 1.055 -5.898 -0.758 650 HD13 LEU 82 3HD1 LEU 82 0.601 -5.056 -2.245 651 HD21 LEU 82 3HD2 LEU 82 3.965 -6.366 -1.624 652 HD22 LEU 82 1HD2 LEU 82 3.744 -7.903 -2.457 653 HD23 LEU 82 2HD2 LEU 82 2.988 -7.630 -0.884 654 H LEU 83 H LEU 83 0.144 -7.647 0.694 655 HA LEU 83 HA LEU 83 -2.639 -6.862 0.162 656 HB2 LEU 83 2HB LEU 83 -2.387 -8.542 1.951 657 HB3 LEU 83 1HB LEU 83 -1.330 -7.454 2.824 658 HG LEU 83 HG LEU 83 -3.259 -5.853 3.007 659 HD11 LEU 83 1HD1 LEU 83 -4.615 -6.637 1.167 660 HD12 LEU 83 2HD1 LEU 83 -5.519 -6.731 2.677 661 HD13 LEU 83 3HD1 LEU 83 -4.839 -8.192 1.966 662 HD21 LEU 83 3HD2 LEU 83 -4.393 -7.092 4.788 663 HD22 LEU 83 1HD2 LEU 83 -2.642 -7.283 4.866 664 HD23 LEU 83 2HD2 LEU 83 -3.642 -8.584 4.220 665 H ILE 84 H ILE 84 -3.014 -4.819 0.031 666 HA ILE 84 HA ILE 84 -0.993 -2.941 1.012 667 HB ILE 84 HB ILE 84 -3.403 -2.377 -0.757 668 HG12 ILE 84 2HG1 ILE 84 -0.504 -2.827 -1.552 669 HG13 ILE 84 1HG1 ILE 84 -1.819 -3.951 -1.823 670 HG21 ILE 84 1HG2 ILE 84 -2.557 -0.416 0.451 671 HG22 ILE 84 2HG2 ILE 84 -2.205 -0.284 -1.274 672 HG23 ILE 84 3HG2 ILE 84 -0.929 -0.744 -0.147 673 HD11 ILE 84 3HD1 ILE 84 -1.608 -1.200 -3.013 674 HD12 ILE 84 1HD1 ILE 84 -2.896 -2.366 -3.315 675 HD13 ILE 84 2HD1 ILE 84 -1.243 -2.715 -3.838 676 H ALA 85 H ALA 85 -1.348 -2.115 2.978 677 HA ALA 85 HA ALA 85 -4.085 -1.550 3.810 678 HB1 ALA 85 1HB ALA 85 -2.173 -3.229 5.431 679 HB2 ALA 85 2HB ALA 85 -3.624 -3.816 4.615 680 HB3 ALA 85 3HB ALA 85 -3.765 -2.674 5.952 681 H GLU 86 H GLU 86 -4.224 0.132 5.219 682 HA GLU 86 HA GLU 86 -1.752 1.586 5.649 683 HB2 GLU 86 2HB GLU 86 -4.602 2.343 5.607 684 HB3 GLU 86 1HB GLU 86 -3.527 3.320 6.591 685 HG2 GLU 86 2HG GLU 86 -3.201 2.713 3.665 686 HG3 GLU 86 1HG GLU 86 -3.776 4.235 4.348 687 H ASP 87 H ASP 87 -4.040 -0.231 7.371 688 HA ASP 87 HA ASP 87 -3.240 0.837 9.936 689 HB2 ASP 87 2HB ASP 87 -5.560 0.028 9.553 690 HB3 ASP 87 1HB ASP 87 -4.921 -1.596 9.314 691 H LYS 88 H LYS 88 -1.585 0.124 11.068 692 HA LYS 88 HA LYS 88 0.100 -1.799 9.844 693 HB2 LYS 88 2HB LYS 88 0.471 -0.059 12.259 694 HB3 LYS 88 1HB LYS 88 1.601 -1.357 11.912 695 HG2 LYS 88 2HG LYS 88 2.463 0.734 11.052 696 HG3 LYS 88 1HG LYS 88 2.072 -0.334 9.710 697 HD2 LYS 88 2HD LYS 88 -0.112 0.900 9.503 698 HD3 LYS 88 1HD LYS 88 0.494 2.036 10.704 699 HE2 LYS 88 2HE LYS 88 2.344 2.632 9.247 700 HE3 LYS 88 1HE LYS 88 1.819 1.439 8.060 701 HZ1 LYS 88 3HZ LYS 88 0.350 3.889 8.878 702 HZ2 LYS 88 1HZ LYS 88 -0.290 2.692 7.895 703 HZ3 LYS 88 2HZ LYS 88 1.036 3.595 7.373 704 H ASP 89 H ASP 89 -2.327 -2.160 12.203 705 HA ASP 89 HA ASP 89 -1.042 -4.504 13.322 706 HB2 ASP 89 2HB ASP 89 -2.509 -3.035 14.720 707 HB3 ASP 89 1HB ASP 89 -3.863 -3.524 13.705 708 H VAL 90 H VAL 90 -3.481 -3.669 11.011 709 HA VAL 90 HA VAL 90 -4.296 -6.248 10.220 710 HB VAL 90 HB VAL 90 -3.919 -3.767 8.475 711 HG11 VAL 90 1HG1 VAL 90 -5.565 -6.235 7.928 712 HG12 VAL 90 2HG1 VAL 90 -4.054 -5.809 7.128 713 HG13 VAL 90 3HG1 VAL 90 -5.483 -4.794 6.916 714 HG21 VAL 90 3HG2 VAL 90 -5.464 -3.422 10.349 715 HG22 VAL 90 1HG2 VAL 90 -6.392 -4.825 9.829 716 HG23 VAL 90 2HG2 VAL 90 -6.306 -3.402 8.795 717 H ILE 91 H ILE 91 -1.673 -4.166 9.065 718 HA ILE 91 HA ILE 91 -0.421 -5.873 7.262 719 HB ILE 91 HB ILE 91 0.779 -3.757 9.073 720 HG12 ILE 91 2HG1 ILE 91 0.017 -3.645 6.151 721 HG13 ILE 91 1HG1 ILE 91 -0.945 -2.989 7.471 722 HG21 ILE 91 1HG2 ILE 91 2.711 -3.709 7.561 723 HG22 ILE 91 2HG2 ILE 91 2.050 -5.081 6.673 724 HG23 ILE 91 3HG2 ILE 91 2.546 -5.277 8.355 725 HD11 ILE 91 3HD1 ILE 91 0.852 -1.431 7.994 726 HD12 ILE 91 1HD1 ILE 91 0.304 -1.258 6.328 727 HD13 ILE 91 2HD1 ILE 91 1.815 -2.099 6.676 728 H ASN 92 H ASN 92 0.157 -5.406 10.698 729 HA ASN 92 HA ASN 92 2.215 -7.136 11.246 730 HB2 ASN 92 2HB ASN 92 1.352 -5.614 12.896 731 HB3 ASN 92 1HB ASN 92 -0.214 -6.404 12.867 732 HD21 ASN 92 1HD2 ASN 92 -0.291 -6.853 14.979 733 HD22 ASN 92 2HD2 ASN 92 0.746 -7.992 15.760 734 H LYS 93 H LYS 93 -1.267 -7.918 11.555 735 HA LYS 93 HA LYS 93 -0.759 -10.624 12.176 736 HB2 LYS 93 2HB LYS 93 -3.302 -9.357 11.188 737 HB3 LYS 93 1HB LYS 93 -3.181 -10.985 11.828 738 HG2 LYS 93 2HG LYS 93 -2.618 -8.438 13.338 739 HG3 LYS 93 1HG LYS 93 -4.073 -9.411 13.464 740 HD2 LYS 93 2HD LYS 93 -1.280 -10.285 14.253 741 HD3 LYS 93 1HD LYS 93 -2.535 -9.765 15.360 742 HE2 LYS 93 2HE LYS 93 -2.718 -12.075 15.524 743 HE3 LYS 93 1HE LYS 93 -3.899 -11.730 14.268 744 HZ1 LYS 93 3HZ LYS 93 -2.404 -13.616 13.819 745 HZ2 LYS 93 1HZ LYS 93 -1.113 -12.549 13.747 746 HZ3 LYS 93 2HZ LYS 93 -2.349 -12.444 12.595 747 H ALA 94 H ALA 94 -1.558 -9.036 9.128 748 HA ALA 94 HA ALA 94 -1.924 -11.405 7.641 749 HB1 ALA 94 1HB ALA 94 -1.684 -9.989 5.671 750 HB2 ALA 94 2HB ALA 94 -1.032 -8.695 6.680 751 HB3 ALA 94 3HB ALA 94 -2.704 -9.211 6.881 752 H LYS 95 H LYS 95 0.897 -9.448 8.348 753 HA LYS 95 HA LYS 95 2.780 -10.537 6.608 754 HB2 LYS 95 2HB LYS 95 3.013 -8.509 8.104 755 HB3 LYS 95 1HB LYS 95 3.255 -9.608 9.444 756 HG2 LYS 95 2HG LYS 95 5.398 -8.902 8.828 757 HG3 LYS 95 1HG LYS 95 5.237 -10.523 8.165 758 HD2 LYS 95 2HD LYS 95 6.308 -9.067 6.540 759 HD3 LYS 95 1HD LYS 95 4.716 -9.534 5.947 760 HE2 LYS 95 2HE LYS 95 3.813 -7.385 6.491 761 HE3 LYS 95 1HE LYS 95 5.256 -6.940 7.398 762 HZ1 LYS 95 3HZ LYS 95 5.044 -5.936 5.168 763 HZ2 LYS 95 1HZ LYS 95 5.281 -7.419 4.430 764 HZ3 LYS 95 2HZ LYS 95 6.485 -6.724 5.384 765 H GLU 96 H GLU 96 1.743 -11.527 9.819 766 HA GLU 96 HA GLU 96 3.580 -13.644 10.242 767 HB2 GLU 96 2HB GLU 96 0.800 -13.372 11.375 768 HB3 GLU 96 1HB GLU 96 2.110 -14.339 12.026 769 HG2 GLU 96 2HG GLU 96 3.364 -12.266 12.468 770 HG3 GLU 96 1HG GLU 96 1.974 -11.343 11.891 771 H LEU 97 H LEU 97 0.465 -13.421 8.704 772 HA LEU 97 HA LEU 97 0.016 -16.255 8.619 773 HB2 LEU 97 2HB LEU 97 -1.484 -13.975 7.336 774 HB3 LEU 97 1HB LEU 97 -2.012 -15.647 7.335 775 HG LEU 97 HG LEU 97 -1.635 -13.976 9.829 776 HD11 LEU 97 1HD1 LEU 97 -3.486 -13.141 8.481 777 HD12 LEU 97 2HD1 LEU 97 -4.041 -13.896 9.971 778 HD13 LEU 97 3HD1 LEU 97 -4.188 -14.762 8.436 779 HD21 LEU 97 3HD2 LEU 97 -1.334 -16.349 10.236 780 HD22 LEU 97 1HD2 LEU 97 -2.854 -16.701 9.413 781 HD23 LEU 97 2HD2 LEU 97 -2.857 -15.795 10.925 782 H GLY 98 H GLY 98 2.098 -14.474 6.944 783 HA2 GLY 98 2HA GLY 98 3.430 -15.317 5.196 784 HA3 GLY 98 1HA GLY 98 2.149 -16.452 4.789 785 H VAL 99 H VAL 99 1.235 -13.234 5.290 786 HA VAL 99 HA VAL 99 0.925 -12.870 2.403 787 HB VAL 99 HB VAL 99 -0.446 -11.446 4.707 788 HG11 VAL 99 1HG1 VAL 99 -0.330 -10.064 2.727 789 HG12 VAL 99 2HG1 VAL 99 -1.991 -10.592 3.006 790 HG13 VAL 99 3HG1 VAL 99 -1.016 -11.363 1.753 791 HG21 VAL 99 3HG2 VAL 99 -2.467 -12.710 4.096 792 HG22 VAL 99 1HG2 VAL 99 -1.157 -13.768 4.630 793 HG23 VAL 99 2HG2 VAL 99 -1.519 -13.609 2.911 794 H ASN 100 H ASN 100 1.850 -10.974 1.512 795 HA ASN 100 HA ASN 100 3.537 -9.578 3.425 796 HB2 ASN 100 2HB ASN 100 4.761 -10.374 1.432 797 HB3 ASN 100 1HB ASN 100 3.694 -9.425 0.397 798 HD21 ASN 100 1HD2 ASN 100 5.452 -8.194 -0.378 799 HD22 ASN 100 2HD2 ASN 100 6.182 -6.958 0.570 800 H ALA 101 H ALA 101 2.235 -8.281 4.394 801 HA ALA 101 HA ALA 101 0.568 -6.471 2.853 802 HB1 ALA 101 1HB ALA 101 -0.404 -7.560 4.820 803 HB2 ALA 101 2HB ALA 101 -0.327 -5.810 5.035 804 HB3 ALA 101 3HB ALA 101 0.855 -6.855 5.829 805 H ILE 102 H ILE 102 1.078 -4.407 2.561 806 HA ILE 102 HA ILE 102 3.249 -3.283 4.112 807 HB ILE 102 HB ILE 102 4.139 -2.150 2.012 808 HG12 ILE 102 2HG1 ILE 102 3.880 -3.572 -0.120 809 HG13 ILE 102 1HG1 ILE 102 2.469 -4.268 0.655 810 HG21 ILE 102 1HG2 ILE 102 5.561 -4.030 1.350 811 HG22 ILE 102 2HG2 ILE 102 4.534 -5.105 2.302 812 HG23 ILE 102 3HG2 ILE 102 5.433 -3.808 3.092 813 HD11 ILE 102 3HD1 ILE 102 1.423 -2.062 0.717 814 HD12 ILE 102 1HD1 ILE 102 1.860 -2.528 -0.928 815 HD13 ILE 102 2HD1 ILE 102 2.853 -1.365 -0.048 816 HA PRO 103 HA PRO 103 0.634 0.289 4.216 817 HB2 PRO 103 2HB PRO 103 2.983 2.034 4.293 818 HB3 PRO 103 1HB PRO 103 1.801 1.713 5.563 819 HG2 PRO 103 2HG PRO 103 4.358 0.851 5.684 820 HG3 PRO 103 1HG PRO 103 3.010 -0.021 6.438 821 HD2 PRO 103 2HD PRO 103 4.444 -0.580 3.880 822 HD3 PRO 103 1HD PRO 103 3.833 -1.708 5.111 823 H ILE 104 H ILE 104 0.149 2.221 2.990 824 HA ILE 104 HA ILE 104 0.370 1.802 0.257 825 HB ILE 104 HB ILE 104 -0.584 4.120 1.890 826 HG12 ILE 104 2HG1 ILE 104 -1.926 2.066 0.140 827 HG13 ILE 104 1HG1 ILE 104 -1.879 2.100 1.898 828 HG21 ILE 104 1HG2 ILE 104 -1.509 5.169 -0.140 829 HG22 ILE 104 2HG2 ILE 104 -0.612 4.010 -1.128 830 HG23 ILE 104 3HG2 ILE 104 0.256 5.173 -0.129 831 HD11 ILE 104 3HD1 ILE 104 -4.018 2.846 1.064 832 HD12 ILE 104 1HD1 ILE 104 -3.217 4.091 0.108 833 HD13 ILE 104 2HD1 ILE 104 -3.168 4.164 1.868 834 H GLU 105 H GLU 105 2.314 3.836 2.309 835 HA GLU 105 HA GLU 105 3.530 5.179 0.152 836 HB2 GLU 105 2HB GLU 105 4.485 4.884 2.990 837 HB3 GLU 105 1HB GLU 105 5.268 5.888 1.772 838 HG2 GLU 105 2HG GLU 105 3.163 7.157 1.527 839 HG3 GLU 105 1HG GLU 105 2.481 6.211 2.849 840 H GLU 106 H GLU 106 4.177 2.068 1.535 841 HA GLU 106 HA GLU 106 6.783 1.809 0.357 842 HB2 GLU 106 2HB GLU 106 4.837 -0.200 1.467 843 HB3 GLU 106 1HB GLU 106 6.370 -0.681 0.754 844 HG2 GLU 106 2HG GLU 106 6.052 1.156 3.116 845 HG3 GLU 106 1HG GLU 106 6.458 -0.559 3.201 846 H LEU 107 H LEU 107 3.531 1.219 -0.599 847 HA LEU 107 HA LEU 107 4.116 -0.141 -3.052 848 HB2 LEU 107 2HB LEU 107 1.896 -0.095 -1.747 849 HB3 LEU 107 1HB LEU 107 1.668 1.517 -2.363 850 HG LEU 107 HG LEU 107 0.326 -0.187 -3.542 851 HD11 LEU 107 1HD1 LEU 107 0.871 1.823 -4.745 852 HD12 LEU 107 2HD1 LEU 107 0.839 0.437 -5.835 853 HD13 LEU 107 3HD1 LEU 107 2.381 1.105 -5.300 854 HD21 LEU 107 3HD2 LEU 107 1.844 -2.071 -3.357 855 HD22 LEU 107 1HD2 LEU 107 2.976 -1.290 -4.462 856 HD23 LEU 107 2HD2 LEU 107 1.390 -1.795 -5.040 857 H LEU 108 H LEU 108 3.502 3.220 -2.103 858 HA LEU 108 HA LEU 108 3.767 4.398 -4.668 859 HB2 LEU 108 2HB LEU 108 4.377 5.605 -1.970 860 HB3 LEU 108 1HB LEU 108 4.184 6.506 -3.457 861 HG LEU 108 HG LEU 108 2.030 4.914 -2.075 862 HD11 LEU 108 1HD1 LEU 108 2.453 7.886 -2.310 863 HD12 LEU 108 2HD1 LEU 108 2.650 6.910 -0.854 864 HD13 LEU 108 3HD1 LEU 108 1.054 7.091 -1.585 865 HD21 LEU 108 3HD2 LEU 108 0.516 5.964 -3.705 866 HD22 LEU 108 1HD2 LEU 108 1.705 4.937 -4.504 867 HD23 LEU 108 2HD2 LEU 108 1.901 6.689 -4.523 868 H ALA 109 H ALA 109 6.103 3.561 -2.231 869 HA ALA 109 HA ALA 109 8.370 4.744 -3.396 870 HB1 ALA 109 1HB ALA 109 8.162 2.309 -1.632 871 HB2 ALA 109 2HB ALA 109 8.267 3.975 -1.070 872 HB3 ALA 109 3HB ALA 109 9.622 3.245 -1.934 873 H SER 110 H SER 110 6.662 1.795 -4.016 874 HA SER 110 HA SER 110 8.859 0.808 -5.672 875 HB2 SER 110 2HB SER 110 6.427 -0.666 -4.666 876 HB3 SER 110 1HB SER 110 7.859 -1.367 -5.430 877 HG SER 110 HG SER 110 7.518 -0.311 -2.870 878 H SER 111 H SER 111 6.500 2.826 -6.319 879 HA SER 111 HA SER 111 5.664 1.422 -8.723 880 HB2 SER 111 2HB SER 111 3.808 3.239 -8.685 881 HB3 SER 111 1HB SER 111 3.709 1.866 -7.582 882 HG SER 111 HG SER 111 4.269 3.071 -5.960 883 H LEU 112 H LEU 112 4.948 3.322 -10.437 884 HA LEU 112 HA LEU 112 7.378 4.835 -10.610 885 HB2 LEU 112 2HB LEU 112 7.028 4.634 -13.204 886 HB3 LEU 112 1HB LEU 112 7.877 3.420 -12.289 887 HG LEU 112 HG LEU 112 5.804 2.021 -12.315 888 HD11 LEU 112 1HD1 LEU 112 4.127 3.736 -12.656 889 HD12 LEU 112 2HD1 LEU 112 4.045 2.501 -13.914 890 HD13 LEU 112 3HD1 LEU 112 4.778 4.068 -14.262 891 HD21 LEU 112 3HD2 LEU 112 7.606 1.645 -13.881 892 HD22 LEU 112 1HD2 LEU 112 6.907 2.816 -14.997 893 HD23 LEU 112 2HD2 LEU 112 6.045 1.320 -14.636 894 H GLU 113 H GLU 113 7.025 6.687 -10.083 895 HA GLU 113 HA GLU 113 4.699 8.253 -10.889 896 HB2 GLU 113 2HB GLU 113 7.281 9.208 -9.669 897 HB3 GLU 113 1HB GLU 113 5.717 9.997 -9.625 898 HG2 GLU 113 2HG GLU 113 4.886 8.338 -8.097 899 HG3 GLU 113 1HG GLU 113 6.404 7.437 -8.210 900 H HIS 114 H HIS 114 8.141 8.133 -11.231 901 HA HIS 114 HA HIS 114 8.215 8.867 -13.930 902 HB2 HIS 114 2HB HIS 114 9.735 10.883 -13.621 903 HB3 HIS 114 1HB HIS 114 8.071 11.171 -13.154 904 HD1 HIS 114 1HD HIS 114 11.545 11.196 -11.842 905 HD2 HIS 114 2HD HIS 114 7.691 11.483 -10.322 906 HE1 HIS 114 1HE HIS 114 11.799 12.111 -9.514 907 HE2 HIS 114 2HE HIS 114 9.479 11.929 -8.541 908 H HIS 115 H HIS 115 9.147 6.930 -14.111 909 HA HIS 115 HA HIS 115 11.937 6.787 -13.557 910 HB2 HIS 115 2HB HIS 115 10.916 5.958 -11.382 911 HB3 HIS 115 1HB HIS 115 10.180 4.651 -12.298 912 HD1 HIS 115 1HD HIS 115 11.573 2.563 -12.518 913 HD2 HIS 115 2HD HIS 115 13.849 5.858 -11.428 914 HE1 HIS 115 1HE HIS 115 13.870 1.678 -12.051 915 HE2 HIS 115 2HE HIS 115 15.130 3.643 -11.152 916 H HIS 116 H HIS 116 11.850 6.767 -15.782 917 HA HIS 116 HA HIS 116 11.374 4.099 -16.877 918 HB2 HIS 116 2HB HIS 116 10.671 6.731 -18.231 919 HB3 HIS 116 1HB HIS 116 10.765 5.195 -19.075 920 HD1 HIS 116 1HD HIS 116 8.267 7.317 -18.109 921 HD2 HIS 116 2HD HIS 116 8.906 3.297 -17.305 922 HE1 HIS 116 1HE HIS 116 6.016 6.379 -17.567 923 HE2 HIS 116 2HE HIS 116 6.411 3.908 -17.473 924 H HIS 117 H HIS 117 12.736 3.836 -18.926 925 HA HIS 117 HA HIS 117 15.235 5.153 -18.279 926 HB2 HIS 117 2HB HIS 117 14.716 2.478 -19.442 927 HB3 HIS 117 1HB HIS 117 16.208 3.304 -19.847 928 HD1 HIS 117 1HD HIS 117 18.094 3.104 -18.206 929 HD2 HIS 117 2HD HIS 117 14.417 2.074 -16.542 930 HE1 HIS 117 1HE HIS 117 18.606 2.235 -15.934 931 HE2 HIS 117 2HE HIS 117 16.420 1.304 -15.118 932 H HIS 118 H HIS 118 16.045 6.572 -19.365 933 HA HIS 118 HA HIS 118 15.500 7.064 -22.160 934 HB2 HIS 118 2HB HIS 118 15.901 9.019 -20.769 935 HB3 HIS 118 1HB HIS 118 17.330 8.293 -20.064 936 HD1 HIS 118 1HD HIS 118 19.519 8.720 -21.177 937 HD2 HIS 118 2HD HIS 118 16.313 10.025 -23.471 938 HE1 HIS 118 1HE HIS 118 20.529 9.963 -23.098 939 HE2 HIS 118 2HE HIS 118 18.598 10.870 -24.380 940 H HIS 119 H HIS 119 18.013 5.917 -19.999 941 HA HIS 119 HA HIS 119 18.982 3.911 -21.648 942 HB2 HIS 119 2HB HIS 119 19.958 5.974 -22.852 943 HB3 HIS 119 1HB HIS 119 20.899 6.263 -21.398 944 HD1 HIS 119 1HD HIS 119 21.089 4.656 -24.592 945 HD2 HIS 119 2HD HIS 119 22.690 3.896 -20.835 946 HE1 HIS 119 1HE HIS 119 23.025 3.132 -24.986 947 HE2 HIS 119 2HE HIS 119 24.171 3.055 -22.756
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