NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
280068 | 2kg2 | 16285 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -1.606 -25.930 -15.947 2 H2 GLY 1 2HT GLY 1 -3.261 -26.263 -16.198 3 H3 GLY 1 3HT GLY 1 -2.740 -25.403 -14.834 4 HA2 GLY 1 1HA GLY 1 -2.416 -24.408 -17.572 5 HA3 GLY 1 2HA GLY 1 -3.710 -23.934 -16.475 6 H SER 2 H SER 2 -1.132 -22.665 -17.688 7 HA SER 2 HA SER 2 0.292 -22.023 -15.280 8 HB2 SER 2 2HB SER 2 0.660 -21.003 -18.097 9 HB3 SER 2 1HB SER 2 1.803 -20.845 -16.762 10 HG SER 2 HG SER 2 1.324 -23.335 -16.801 11 H TYR 3 H TYR 3 -0.909 -20.809 -13.992 12 HA TYR 3 HA TYR 3 -2.446 -18.567 -14.958 13 HB2 TYR 3 2HB TYR 3 -3.147 -20.119 -13.064 14 HB3 TYR 3 1HB TYR 3 -1.846 -19.435 -12.108 15 HD1 TYR 3 2HD TYR 3 -1.948 -16.813 -11.836 16 HD2 TYR 3 1HD TYR 3 -5.277 -19.223 -12.881 17 HE1 TYR 3 2HE TYR 3 -3.370 -15.068 -11.076 18 HE2 TYR 3 1HE TYR 3 -6.796 -17.458 -12.081 19 HH TYR 3 HH TYR 3 -6.729 -15.580 -10.538 20 H ILE 4 H ILE 4 -1.621 -16.507 -15.042 21 HA ILE 4 HA ILE 4 1.060 -16.247 -14.026 22 HB ILE 4 HB ILE 4 1.039 -15.733 -16.354 23 HG12 ILE 4 2HG1 ILE 4 1.947 -13.402 -16.446 24 HG13 ILE 4 1HG1 ILE 4 1.414 -13.182 -14.784 25 HG21 ILE 4 1HG2 ILE 4 -1.312 -15.076 -16.610 26 HG22 ILE 4 2HG2 ILE 4 -0.173 -14.054 -17.467 27 HG23 ILE 4 3HG2 ILE 4 -0.893 -13.469 -15.977 28 HD11 ILE 4 3HD1 ILE 4 3.784 -13.692 -14.896 29 HD12 ILE 4 1HD1 ILE 4 3.437 -15.200 -15.741 30 HD13 ILE 4 2HD1 ILE 4 2.909 -14.982 -14.073 31 HA PRO 5 HA PRO 5 -0.796 -12.476 -11.689 32 HB2 PRO 5 2HB PRO 5 -3.552 -13.124 -11.118 33 HB3 PRO 5 1HB PRO 5 -2.877 -11.648 -11.775 34 HG2 PRO 5 2HG PRO 5 -4.379 -13.417 -13.251 35 HG3 PRO 5 1HG PRO 5 -3.226 -12.255 -13.915 36 HD2 PRO 5 2HD PRO 5 -2.959 -15.178 -13.567 37 HD3 PRO 5 1HD PRO 5 -2.237 -14.096 -14.768 38 H GLY 6 H GLY 6 -1.889 -12.394 -9.480 39 HA2 GLY 6 2HA GLY 6 -1.106 -14.893 -8.116 40 HA3 GLY 6 1HA GLY 6 -0.726 -13.289 -7.499 41 H GLN 7 H GLN 7 -3.786 -14.348 -8.881 42 HA GLN 7 HA GLN 7 -5.050 -13.582 -6.385 43 HB2 GLN 7 2HB GLN 7 -6.062 -12.578 -8.228 44 HB3 GLN 7 1HB GLN 7 -6.175 -14.096 -9.143 45 HG2 GLN 7 2HG GLN 7 -7.777 -14.866 -7.373 46 HG3 GLN 7 1HG GLN 7 -7.719 -13.251 -6.690 47 HE21 GLN 7 1HE2 GLN 7 -7.563 -12.050 -9.426 48 HE22 GLN 7 2HE2 GLN 7 -9.177 -12.159 -10.013 49 HA PRO 8 HA PRO 8 -5.588 -17.901 -5.609 50 HB2 PRO 8 2HB PRO 8 -6.564 -17.658 -3.104 51 HB3 PRO 8 1HB PRO 8 -4.846 -17.456 -3.457 52 HG2 PRO 8 2HG PRO 8 -6.908 -15.401 -2.886 53 HG3 PRO 8 1HG PRO 8 -5.169 -15.387 -2.545 54 HD2 PRO 8 2HD PRO 8 -6.444 -14.067 -4.717 55 HD3 PRO 8 1HD PRO 8 -4.717 -14.386 -4.475 56 H VAL 9 H VAL 9 -8.135 -16.538 -3.650 57 HA VAL 9 HA VAL 9 -10.131 -17.086 -5.669 58 HB VAL 9 HB VAL 9 -11.588 -18.303 -3.960 59 HG11 VAL 9 1HG1 VAL 9 -9.083 -19.702 -4.885 60 HG12 VAL 9 2HG1 VAL 9 -10.570 -19.504 -5.812 61 HG13 VAL 9 3HG1 VAL 9 -10.564 -20.502 -4.358 62 HG21 VAL 9 3HG2 VAL 9 -10.464 -19.496 -2.151 63 HG22 VAL 9 1HG2 VAL 9 -10.311 -17.749 -1.956 64 HG23 VAL 9 2HG2 VAL 9 -8.946 -18.689 -2.559 65 H THR 10 H THR 10 -9.631 -15.919 -2.301 66 HA THR 10 HA THR 10 -12.103 -14.465 -2.602 67 HB THR 10 HB THR 10 -11.809 -15.723 -0.532 68 HG1 THR 10 1HG THR 10 -11.961 -13.806 0.962 69 HG21 THR 10 3HG2 THR 10 -9.370 -15.604 -0.363 70 HG22 THR 10 1HG2 THR 10 -10.128 -15.089 1.150 71 HG23 THR 10 2HG2 THR 10 -9.467 -13.899 0.017 72 H ALA 11 H ALA 11 -8.664 -13.739 -2.018 73 HA ALA 11 HA ALA 11 -9.252 -10.916 -2.254 74 HB1 ALA 11 1HB ALA 11 -6.625 -12.340 -1.908 75 HB2 ALA 11 2HB ALA 11 -7.605 -11.666 -0.603 76 HB3 ALA 11 3HB ALA 11 -6.877 -10.590 -1.807 77 H VAL 12 H VAL 12 -8.525 -9.662 -3.894 78 HA VAL 12 HA VAL 12 -7.823 -11.137 -6.329 79 HB VAL 12 HB VAL 12 -9.399 -8.549 -6.106 80 HG11 VAL 12 1HG1 VAL 12 -8.092 -8.642 -8.148 81 HG12 VAL 12 2HG1 VAL 12 -9.807 -8.827 -8.511 82 HG13 VAL 12 3HG1 VAL 12 -8.748 -10.235 -8.520 83 HG21 VAL 12 3HG2 VAL 12 -11.328 -9.852 -6.904 84 HG22 VAL 12 1HG2 VAL 12 -10.745 -10.437 -5.345 85 HG23 VAL 12 2HG2 VAL 12 -10.359 -11.324 -6.820 86 H VAL 13 H VAL 13 -5.946 -10.551 -7.204 87 HA VAL 13 HA VAL 13 -4.677 -8.193 -6.117 88 HB VAL 13 HB VAL 13 -3.353 -10.308 -6.249 89 HG11 VAL 13 1HG1 VAL 13 -4.184 -11.275 -8.266 90 HG12 VAL 13 2HG1 VAL 13 -2.436 -11.047 -8.377 91 HG13 VAL 13 3HG1 VAL 13 -3.524 -9.943 -9.219 92 HG21 VAL 13 3HG2 VAL 13 -2.193 -8.199 -6.144 93 HG22 VAL 13 1HG2 VAL 13 -2.273 -8.038 -7.898 94 HG23 VAL 13 2HG2 VAL 13 -1.307 -9.326 -7.171 95 H GLN 14 H GLN 14 -4.439 -6.436 -7.178 96 HA GLN 14 HA GLN 14 -5.246 -6.362 -9.986 97 HB2 GLN 14 2HB GLN 14 -6.757 -4.465 -9.610 98 HB3 GLN 14 1HB GLN 14 -7.275 -5.885 -8.719 99 HG2 GLN 14 2HG GLN 14 -7.516 -4.437 -6.984 100 HG3 GLN 14 1HG GLN 14 -5.775 -4.592 -6.867 101 HE21 GLN 14 1HE2 GLN 14 -4.490 -2.961 -7.534 102 HE22 GLN 14 2HE2 GLN 14 -5.095 -1.369 -7.808 103 H ARG 15 H ARG 15 -4.566 -4.431 -11.093 104 HA ARG 15 HA ARG 15 -1.962 -3.750 -10.012 105 HB2 ARG 15 2HB ARG 15 -1.187 -3.516 -12.226 106 HB3 ARG 15 1HB ARG 15 -2.274 -4.882 -12.287 107 HG2 ARG 15 2HG ARG 15 -2.879 -3.791 -14.198 108 HG3 ARG 15 1HG ARG 15 -3.984 -2.996 -13.070 109 HD2 ARG 15 2HD ARG 15 -2.320 -1.221 -12.736 110 HD3 ARG 15 1HD ARG 15 -1.283 -1.994 -13.924 111 HE ARG 15 HE ARG 15 -3.959 -1.166 -14.708 112 HH11 ARG 15 1HH1 ARG 15 -0.449 -0.909 -15.071 113 HH12 ARG 15 2HH1 ARG 15 -0.467 0.394 -16.138 114 HH21 ARG 15 1HH2 ARG 15 -4.045 0.559 -16.281 115 HH22 ARG 15 2HH2 ARG 15 -2.606 1.211 -16.931 116 H VAL 16 H VAL 16 -1.179 -1.595 -10.105 117 HA VAL 16 HA VAL 16 -3.229 0.488 -10.486 118 HB VAL 16 HB VAL 16 -1.024 0.962 -8.516 119 HG11 VAL 16 1HG1 VAL 16 -2.465 2.705 -9.404 120 HG12 VAL 16 2HG1 VAL 16 -2.317 2.631 -7.685 121 HG13 VAL 16 3HG1 VAL 16 -3.800 2.024 -8.462 122 HG21 VAL 16 3HG2 VAL 16 -2.054 -1.136 -7.690 123 HG22 VAL 16 1HG2 VAL 16 -3.624 -0.328 -7.696 124 HG23 VAL 16 2HG2 VAL 16 -2.339 0.233 -6.617 125 H GLU 17 H GLU 17 -2.263 2.519 -11.220 126 HA GLU 17 HA GLU 17 0.544 2.385 -11.888 127 HB2 GLU 17 2HB GLU 17 -0.622 1.517 -13.866 128 HB3 GLU 17 1HB GLU 17 -1.595 2.978 -13.924 129 HG2 GLU 17 2HG GLU 17 0.281 4.308 -14.459 130 HG3 GLU 17 1HG GLU 17 1.385 2.970 -14.130 131 H ILE 18 H ILE 18 1.222 3.929 -10.790 132 HA ILE 18 HA ILE 18 -0.288 6.426 -10.615 133 HB ILE 18 HB ILE 18 1.967 5.305 -8.960 134 HG12 ILE 18 2HG1 ILE 18 0.480 6.326 -7.079 135 HG13 ILE 18 1HG1 ILE 18 -0.716 6.469 -8.358 136 HG21 ILE 18 1HG2 ILE 18 1.308 8.229 -9.045 137 HG22 ILE 18 2HG2 ILE 18 2.825 7.464 -9.521 138 HG23 ILE 18 3HG2 ILE 18 2.312 7.441 -7.831 139 HD11 ILE 18 3HD1 ILE 18 -0.990 4.526 -6.926 140 HD12 ILE 18 1HD1 ILE 18 0.552 3.916 -7.492 141 HD13 ILE 18 2HD1 ILE 18 -0.789 4.109 -8.638 142 H HIS 19 H HIS 19 0.144 8.064 -11.755 143 HA HIS 19 HA HIS 19 2.694 8.184 -13.188 144 HB2 HIS 19 2HB HIS 19 0.161 9.763 -13.435 145 HB3 HIS 19 1HB HIS 19 1.577 10.075 -14.449 146 HD1 HIS 19 1HD HIS 19 -0.904 9.599 -15.973 147 HD2 HIS 19 2HD HIS 19 1.345 6.463 -14.484 148 HE1 HIS 19 1HE HIS 19 -1.540 7.586 -17.341 149 H LYS 20 H LYS 20 3.975 9.990 -12.944 150 HA LYS 20 HA LYS 20 4.607 10.978 -10.533 151 HB2 LYS 20 2HB LYS 20 5.585 13.010 -11.670 152 HB3 LYS 20 1HB LYS 20 6.106 11.438 -12.263 153 HG2 LYS 20 2HG LYS 20 4.545 11.728 -14.158 154 HG3 LYS 20 1HG LYS 20 4.096 13.301 -13.498 155 HD2 LYS 20 2HD LYS 20 6.379 14.074 -13.692 156 HD3 LYS 20 1HD LYS 20 6.885 12.504 -14.305 157 HE2 LYS 20 2HE LYS 20 4.880 14.303 -15.627 158 HE3 LYS 20 1HE LYS 20 6.586 14.240 -16.058 159 HZ1 LYS 20 3HZ LYS 20 5.331 12.912 -17.552 160 HZ2 LYS 20 1HZ LYS 20 4.602 12.032 -16.311 161 HZ3 LYS 20 2HZ LYS 20 6.251 11.859 -16.602 162 H LEU 21 H LEU 21 3.779 12.142 -8.969 163 HA LEU 21 HA LEU 21 1.847 14.257 -9.602 164 HB2 LEU 21 2HB LEU 21 0.803 12.495 -8.351 165 HB3 LEU 21 1HB LEU 21 2.103 12.494 -7.176 166 HG LEU 21 HG LEU 21 1.466 14.818 -6.591 167 HD11 LEU 21 1HD1 LEU 21 0.232 15.429 -8.570 168 HD12 LEU 21 2HD1 LEU 21 -0.806 15.573 -7.152 169 HD13 LEU 21 3HD1 LEU 21 -0.980 14.192 -8.237 170 HD21 LEU 21 3HD2 LEU 21 -0.677 12.746 -6.139 171 HD22 LEU 21 1HD2 LEU 21 -0.376 14.172 -5.162 172 HD23 LEU 21 2HD2 LEU 21 0.825 12.882 -5.223 173 H ARG 22 H ARG 22 2.551 16.227 -9.178 174 HA ARG 22 HA ARG 22 4.933 16.589 -7.531 175 HB2 ARG 22 2HB ARG 22 3.444 18.489 -9.357 176 HB3 ARG 22 1HB ARG 22 4.838 18.938 -8.392 177 HG2 ARG 22 2HG ARG 22 4.880 16.785 -10.492 178 HG3 ARG 22 1HG ARG 22 5.337 18.460 -10.793 179 HD2 ARG 22 2HD ARG 22 6.641 16.603 -8.797 180 HD3 ARG 22 1HD ARG 22 7.280 17.037 -10.380 181 HE ARG 22 HE ARG 22 6.824 19.402 -8.996 182 HH11 ARG 22 1HH1 ARG 22 9.043 16.662 -8.880 183 HH12 ARG 22 2HH1 ARG 22 10.241 17.482 -7.985 184 HH21 ARG 22 1HH2 ARG 22 8.508 20.542 -7.834 185 HH22 ARG 22 2HH2 ARG 22 9.924 19.708 -7.387 186 H GLN 23 H GLN 23 4.519 16.805 -5.412 187 HA GLN 23 HA GLN 23 2.133 18.304 -4.632 188 HB2 GLN 23 2HB GLN 23 3.863 16.339 -3.139 189 HB3 GLN 23 1HB GLN 23 2.556 17.260 -2.417 190 HG2 GLN 23 2HG GLN 23 2.238 15.298 -4.665 191 HG3 GLN 23 1HG GLN 23 1.914 14.957 -2.968 192 HE21 GLN 23 1HE2 GLN 23 0.262 15.939 -1.982 193 HE22 GLN 23 2HE2 GLN 23 -1.057 16.657 -2.832 194 H GLY 24 H GLY 24 2.714 20.347 -4.367 195 HA2 GLY 24 2HA GLY 24 3.878 22.161 -3.601 196 HA3 GLY 24 1HA GLY 24 4.713 21.053 -2.506 197 H GLU 25 H GLU 25 6.784 20.718 -2.840 198 HA GLU 25 HA GLU 25 7.784 21.226 -5.516 199 HB2 GLU 25 2HB GLU 25 9.137 21.862 -2.901 200 HB3 GLU 25 1HB GLU 25 9.911 22.007 -4.478 201 HG2 GLU 25 2HG GLU 25 8.165 23.618 -5.145 202 HG3 GLU 25 1HG GLU 25 7.499 23.535 -3.522 203 H ASN 26 H ASN 26 6.947 18.767 -4.029 204 HA ASN 26 HA ASN 26 9.445 17.182 -4.453 205 HB2 ASN 26 2HB ASN 26 7.190 15.930 -2.986 206 HB3 ASN 26 1HB ASN 26 8.916 15.765 -2.731 207 HD21 ASN 26 1HD2 ASN 26 6.103 17.470 -2.062 208 HD22 ASN 26 2HD2 ASN 26 6.663 18.467 -0.787 209 H LEU 27 H LEU 27 8.989 15.029 -5.174 210 HA LEU 27 HA LEU 27 6.598 14.870 -6.823 211 HB2 LEU 27 2HB LEU 27 8.754 14.847 -8.014 212 HB3 LEU 27 1HB LEU 27 9.224 13.443 -7.084 213 HG LEU 27 HG LEU 27 7.347 12.158 -8.013 214 HD11 LEU 27 1HD1 LEU 27 6.122 12.959 -9.872 215 HD12 LEU 27 2HD1 LEU 27 6.949 14.521 -9.825 216 HD13 LEU 27 3HD1 LEU 27 5.865 14.040 -8.511 217 HD21 LEU 27 3HD2 LEU 27 9.510 12.025 -9.002 218 HD22 LEU 27 1HD2 LEU 27 9.132 13.415 -10.032 219 HD23 LEU 27 2HD2 LEU 27 8.226 11.897 -10.224 220 H ILE 28 H ILE 28 5.201 13.345 -6.172 221 HA ILE 28 HA ILE 28 6.234 11.176 -4.514 222 HB ILE 28 HB ILE 28 3.535 12.226 -3.783 223 HG12 ILE 28 2HG1 ILE 28 6.096 13.717 -3.045 224 HG13 ILE 28 1HG1 ILE 28 4.692 14.324 -3.869 225 HG21 ILE 28 1HG2 ILE 28 4.463 10.258 -2.706 226 HG22 ILE 28 2HG2 ILE 28 4.272 11.586 -1.550 227 HG23 ILE 28 3HG2 ILE 28 5.865 11.205 -2.186 228 HD11 ILE 28 3HD1 ILE 28 4.663 13.405 -1.021 229 HD12 ILE 28 1HD1 ILE 28 3.329 14.111 -1.943 230 HD13 ILE 28 2HD1 ILE 28 4.753 15.085 -1.591 231 H LEU 29 H LEU 29 4.704 9.373 -4.477 232 HA LEU 29 HA LEU 29 3.220 9.103 -6.946 233 HB2 LEU 29 2HB LEU 29 4.026 7.223 -4.739 234 HB3 LEU 29 1HB LEU 29 2.828 6.748 -5.914 235 HG LEU 29 HG LEU 29 4.519 7.025 -7.715 236 HD11 LEU 29 1HD1 LEU 29 6.887 7.225 -7.179 237 HD12 LEU 29 2HD1 LEU 29 6.484 7.486 -5.483 238 HD13 LEU 29 3HD1 LEU 29 5.994 8.669 -6.696 239 HD21 LEU 29 3HD2 LEU 29 5.815 5.037 -7.163 240 HD22 LEU 29 1HD2 LEU 29 4.115 4.858 -6.723 241 HD23 LEU 29 2HD2 LEU 29 5.321 5.188 -5.478 242 H GLY 30 H GLY 30 2.624 10.460 -4.133 243 HA2 GLY 30 2HA GLY 30 0.540 11.462 -3.694 244 HA3 GLY 30 1HA GLY 30 -0.214 10.151 -4.575 245 H PHE 31 H PHE 31 0.761 7.929 -3.269 246 HA PHE 31 HA PHE 31 -0.837 8.176 -0.882 247 HB2 PHE 31 2HB PHE 31 -1.105 5.802 -0.968 248 HB3 PHE 31 1HB PHE 31 -1.303 6.459 -2.560 249 HD1 PHE 31 1HD PHE 31 0.352 6.155 -4.304 250 HD2 PHE 31 2HD PHE 31 0.730 4.293 -0.527 251 HE1 PHE 31 1HE PHE 31 2.024 4.615 -5.253 252 HE2 PHE 31 2HE PHE 31 2.397 2.733 -1.444 253 HZ PHE 31 HZ PHE 31 3.063 2.899 -3.816 254 H SER 32 H SER 32 -0.253 6.894 1.033 255 HA SER 32 HA SER 32 2.602 6.896 1.705 256 HB2 SER 32 2HB SER 32 0.210 7.586 3.396 257 HB3 SER 32 1HB SER 32 1.853 7.407 3.999 258 HG SER 32 HG SER 32 1.968 9.059 1.944 259 H ILE 33 H ILE 33 2.993 5.361 3.595 260 HA ILE 33 HA ILE 33 1.365 2.928 3.304 261 HB ILE 33 HB ILE 33 3.250 1.565 3.126 262 HG12 ILE 33 2HG1 ILE 33 5.025 3.947 3.839 263 HG13 ILE 33 1HG1 ILE 33 4.616 2.601 4.904 264 HG21 ILE 33 1HG2 ILE 33 2.810 2.706 1.048 265 HG22 ILE 33 2HG2 ILE 33 4.568 2.558 1.246 266 HG23 ILE 33 3HG2 ILE 33 3.778 4.080 1.568 267 HD11 ILE 33 3HD1 ILE 33 5.713 1.091 3.306 268 HD12 ILE 33 1HD1 ILE 33 6.801 2.234 4.102 269 HD13 ILE 33 2HD1 ILE 33 6.306 2.509 2.434 270 H GLY 34 H GLY 34 1.797 1.378 5.068 271 HA2 GLY 34 2HA GLY 34 2.147 2.874 7.579 272 HA3 GLY 34 1HA GLY 34 1.139 1.438 7.411 273 H GLY 35 H GLY 35 3.281 0.273 5.708 274 HA2 GLY 35 2HA GLY 35 5.712 -0.248 6.399 275 HA3 GLY 35 1HA GLY 35 5.021 -0.446 7.944 276 H GLY 36 H GLY 36 6.484 -2.372 6.633 277 HA2 GLY 36 2HA GLY 36 4.463 -4.398 6.031 278 HA3 GLY 36 1HA GLY 36 6.121 -4.423 5.450 279 H ILE 37 H ILE 37 7.436 -5.782 6.462 280 HA ILE 37 HA ILE 37 6.420 -7.191 8.645 281 HB ILE 37 HB ILE 37 8.359 -8.585 8.672 282 HG12 ILE 37 2HG1 ILE 37 10.031 -6.741 8.455 283 HG13 ILE 37 1HG1 ILE 37 10.430 -8.123 7.405 284 HG21 ILE 37 1HG2 ILE 37 8.356 -9.350 6.325 285 HG22 ILE 37 2HG2 ILE 37 7.523 -7.849 5.888 286 HG23 ILE 37 3HG2 ILE 37 6.746 -9.001 6.971 287 HD11 ILE 37 3HD1 ILE 37 9.445 -6.697 5.568 288 HD12 ILE 37 1HD1 ILE 37 10.885 -6.024 6.337 289 HD13 ILE 37 2HD1 ILE 37 9.313 -5.416 6.773 290 H ASP 38 H ASP 38 8.184 -4.538 8.418 291 HA ASP 38 HA ASP 38 9.738 -4.493 10.826 292 HB2 ASP 38 2HB ASP 38 10.433 -3.234 8.920 293 HB3 ASP 38 1HB ASP 38 8.882 -2.432 8.797 294 H GLN 39 H GLN 39 6.473 -4.219 10.186 295 HA GLN 39 HA GLN 39 5.948 -2.532 12.548 296 HB2 GLN 39 2HB GLN 39 3.778 -3.310 10.606 297 HB3 GLN 39 1HB GLN 39 3.934 -1.830 11.529 298 HG2 GLN 39 2HG GLN 39 5.485 -2.588 9.151 299 HG3 GLN 39 1HG GLN 39 4.213 -1.378 9.288 300 HE21 GLN 39 1HE2 GLN 39 7.111 -1.495 8.669 301 HE22 GLN 39 2HE2 GLN 39 7.881 -0.262 9.580 302 H ASP 40 H ASP 40 4.059 -3.239 13.859 303 HA ASP 40 HA ASP 40 4.111 -6.142 14.113 304 HB2 ASP 40 2HB ASP 40 3.936 -3.981 16.082 305 HB3 ASP 40 1HB ASP 40 3.010 -5.416 16.468 306 HA PRO 41 HA PRO 41 -0.045 -5.956 12.416 307 HB2 PRO 41 2HB PRO 41 -0.513 -8.665 12.719 308 HB3 PRO 41 1HB PRO 41 0.282 -7.925 11.327 309 HG2 PRO 41 2HG PRO 41 1.493 -9.225 13.725 310 HG3 PRO 41 1HG PRO 41 1.973 -9.343 12.022 311 HD2 PRO 41 2HD PRO 41 3.322 -7.821 13.706 312 HD3 PRO 41 1HD PRO 41 3.014 -7.270 12.042 313 H SER 42 H SER 42 0.877 -7.133 15.504 314 HA SER 42 HA SER 42 -1.764 -7.568 16.494 315 HB2 SER 42 2HB SER 42 0.192 -8.721 17.461 316 HB3 SER 42 1HB SER 42 0.846 -7.168 17.980 317 HG SER 42 HG SER 42 -1.419 -7.090 19.034 318 H GLN 43 H GLN 43 -0.104 -4.763 15.682 319 HA GLN 43 HA GLN 43 -2.077 -3.206 17.057 320 HB2 GLN 43 2HB GLN 43 -0.380 -1.520 17.786 321 HB3 GLN 43 1HB GLN 43 -0.354 -3.028 18.678 322 HG2 GLN 43 2HG GLN 43 1.468 -3.120 16.451 323 HG3 GLN 43 1HG GLN 43 1.791 -1.715 17.462 324 HE21 GLN 43 1HE2 GLN 43 0.427 -4.649 18.728 325 HE22 GLN 43 2HE2 GLN 43 1.819 -5.140 19.629 326 H ASN 44 H ASN 44 -1.620 -3.940 14.270 327 HA ASN 44 HA ASN 44 -0.839 -1.340 13.140 328 HB2 ASN 44 2HB ASN 44 -0.752 -4.073 12.031 329 HB3 ASN 44 1HB ASN 44 -0.796 -2.707 10.939 330 HD21 ASN 44 1HD2 ASN 44 0.901 -1.171 13.016 331 HD22 ASN 44 2HD2 ASN 44 2.467 -1.815 12.786 332 HA PRO 45 HA PRO 45 -4.912 -0.432 12.006 333 HB2 PRO 45 2HB PRO 45 -4.499 1.070 9.790 334 HB3 PRO 45 1HB PRO 45 -4.104 1.624 11.424 335 HG2 PRO 45 2HG PRO 45 -2.275 0.375 9.392 336 HG3 PRO 45 1HG PRO 45 -2.036 1.880 10.320 337 HD2 PRO 45 2HD PRO 45 -0.917 -0.394 11.050 338 HD3 PRO 45 1HD PRO 45 -1.611 0.718 12.261 339 H PHE 46 H PHE 46 -2.873 -1.498 9.292 340 HA PHE 46 HA PHE 46 -5.271 -2.826 8.248 341 HB2 PHE 46 2HB PHE 46 -2.989 -1.736 6.596 342 HB3 PHE 46 1HB PHE 46 -4.485 -2.441 5.981 343 HD1 PHE 46 1HD PHE 46 -6.653 -1.240 6.377 344 HD2 PHE 46 2HD PHE 46 -2.885 0.517 7.270 345 HE1 PHE 46 1HE PHE 46 -7.706 0.983 6.457 346 HE2 PHE 46 2HE PHE 46 -3.931 2.726 7.351 347 HZ PHE 46 HZ PHE 46 -6.334 2.971 6.940 348 H SER 47 H SER 47 -2.648 -3.491 9.797 349 HA SER 47 HA SER 47 -2.110 -5.922 8.219 350 HB2 SER 47 2HB SER 47 -0.192 -4.278 9.204 351 HB3 SER 47 1HB SER 47 -0.420 -5.328 10.570 352 HG SER 47 HG SER 47 -0.119 -7.155 9.220 353 H GLU 48 H GLU 48 -4.000 -4.886 10.658 354 HA GLU 48 HA GLU 48 -3.922 -7.019 12.463 355 HB2 GLU 48 2HB GLU 48 -6.306 -6.286 12.956 356 HB3 GLU 48 1HB GLU 48 -5.097 -5.015 13.072 357 HG2 GLU 48 2HG GLU 48 -5.738 -4.190 10.865 358 HG3 GLU 48 1HG GLU 48 -6.927 -5.481 10.722 359 H ASP 49 H ASP 49 -4.996 -6.588 9.343 360 HA ASP 49 HA ASP 49 -6.805 -8.718 8.927 361 HB2 ASP 49 2HB ASP 49 -6.873 -6.999 7.338 362 HB3 ASP 49 1HB ASP 49 -5.131 -6.952 7.177 363 H LYS 50 H LYS 50 -3.356 -8.406 7.962 364 HA LYS 50 HA LYS 50 -3.212 -11.337 8.113 365 HB2 LYS 50 2HB LYS 50 -1.693 -9.645 6.137 366 HB3 LYS 50 1HB LYS 50 -1.582 -11.373 6.312 367 HG2 LYS 50 2HG LYS 50 -3.984 -9.852 5.327 368 HG3 LYS 50 1HG LYS 50 -2.883 -10.822 4.350 369 HD2 LYS 50 2HD LYS 50 -3.560 -12.807 5.716 370 HD3 LYS 50 1HD LYS 50 -4.759 -11.782 6.505 371 HE2 LYS 50 2HE LYS 50 -4.617 -12.479 3.578 372 HE3 LYS 50 1HE LYS 50 -5.809 -13.058 4.735 373 HZ1 LYS 50 3HZ LYS 50 -6.434 -10.582 4.968 374 HZ2 LYS 50 1HZ LYS 50 -6.832 -11.359 3.518 375 HZ3 LYS 50 2HZ LYS 50 -5.500 -10.331 3.610 376 H THR 51 H THR 51 -1.745 -12.111 9.312 377 HA THR 51 HA THR 51 0.136 -10.455 10.684 378 HB THR 51 HB THR 51 0.665 -12.802 11.665 379 HG1 THR 51 1HG THR 51 -0.275 -14.169 10.250 380 HG21 THR 51 3HG2 THR 51 -2.077 -11.559 11.919 381 HG22 THR 51 1HG2 THR 51 -0.653 -11.086 12.844 382 HG23 THR 51 2HG2 THR 51 -1.371 -12.682 13.084 383 H ASP 52 H ASP 52 0.048 -11.798 7.753 384 HA ASP 52 HA ASP 52 2.686 -12.912 7.465 385 HB2 ASP 52 2HB ASP 52 0.809 -13.781 6.157 386 HB3 ASP 52 1HB ASP 52 0.530 -12.199 5.464 387 H LYS 53 H LYS 53 1.605 -10.179 7.837 388 HA LYS 53 HA LYS 53 1.917 -7.950 7.463 389 HB2 LYS 53 2HB LYS 53 4.763 -8.874 7.327 390 HB3 LYS 53 1HB LYS 53 4.209 -7.277 7.808 391 HG2 LYS 53 2HG LYS 53 3.072 -8.291 9.776 392 HG3 LYS 53 1HG LYS 53 3.702 -9.872 9.299 393 HD2 LYS 53 2HD LYS 53 5.992 -8.921 9.421 394 HD3 LYS 53 1HD LYS 53 5.174 -7.427 9.999 395 HE2 LYS 53 2HE LYS 53 6.256 -8.668 11.697 396 HE3 LYS 53 1HE LYS 53 4.531 -8.511 11.993 397 HZ1 LYS 53 3HZ LYS 53 5.921 -10.930 10.937 398 HZ2 LYS 53 1HZ LYS 53 4.255 -10.834 11.168 399 HZ3 LYS 53 2HZ LYS 53 5.281 -10.763 12.492 400 H GLY 54 H GLY 54 3.431 -6.320 6.101 401 HA2 GLY 54 2HA GLY 54 4.463 -6.563 3.689 402 HA3 GLY 54 1HA GLY 54 2.754 -6.879 3.343 403 H ILE 55 H ILE 55 4.148 -4.668 2.337 404 HA ILE 55 HA ILE 55 3.547 -2.390 3.938 405 HB ILE 55 HB ILE 55 4.525 -2.629 1.059 406 HG12 ILE 55 2HG1 ILE 55 6.029 -3.419 2.944 407 HG13 ILE 55 1HG1 ILE 55 6.716 -2.171 1.923 408 HG21 ILE 55 1HG2 ILE 55 3.348 -0.499 1.348 409 HG22 ILE 55 2HG2 ILE 55 5.088 -0.178 1.305 410 HG23 ILE 55 3HG2 ILE 55 4.218 -0.201 2.837 411 HD11 ILE 55 3HD1 ILE 55 7.067 -1.978 4.369 412 HD12 ILE 55 1HD1 ILE 55 5.358 -1.571 4.486 413 HD13 ILE 55 2HD1 ILE 55 6.454 -0.556 3.530 414 H TYR 56 H TYR 56 1.754 -1.294 3.937 415 HA TYR 56 HA TYR 56 -0.117 -1.656 1.766 416 HB2 TYR 56 2HB TYR 56 -1.887 -1.361 3.689 417 HB3 TYR 56 1HB TYR 56 -1.211 -2.950 3.347 418 HD1 TYR 56 1HD TYR 56 -0.884 -0.008 5.628 419 HD2 TYR 56 2HD TYR 56 0.017 -4.081 4.914 420 HE1 TYR 56 1HE TYR 56 -0.036 -0.217 7.920 421 HE2 TYR 56 2HE TYR 56 0.898 -4.324 7.100 422 HH TYR 56 HH TYR 56 1.708 -2.990 8.964 423 H VAL 57 H VAL 57 -1.623 0.045 1.589 424 HA VAL 57 HA VAL 57 -0.394 2.596 1.995 425 HB VAL 57 HB VAL 57 -3.048 1.798 0.797 426 HG11 VAL 57 1HG1 VAL 57 -1.564 4.402 0.658 427 HG12 VAL 57 2HG1 VAL 57 -3.071 4.109 1.524 428 HG13 VAL 57 3HG1 VAL 57 -3.022 3.987 -0.238 429 HG21 VAL 57 3HG2 VAL 57 -1.343 0.862 -0.488 430 HG22 VAL 57 1HG2 VAL 57 -0.359 2.338 -0.391 431 HG23 VAL 57 2HG2 VAL 57 -1.859 2.349 -1.298 432 H THR 58 H THR 58 -0.896 4.066 3.557 433 HA THR 58 HA THR 58 -3.119 3.392 5.326 434 HB THR 58 HB THR 58 -1.910 5.099 6.820 435 HG1 THR 58 1HG THR 58 0.036 5.773 6.152 436 HG21 THR 58 3HG2 THR 58 -1.885 2.677 7.218 437 HG22 THR 58 1HG2 THR 58 -0.299 3.368 7.548 438 HG23 THR 58 2HG2 THR 58 -0.589 2.484 6.047 439 H ARG 59 H ARG 59 -1.934 5.662 3.062 440 HA ARG 59 HA ARG 59 -4.436 7.076 3.011 441 HB2 ARG 59 2HB ARG 59 -1.858 8.261 3.867 442 HB3 ARG 59 1HB ARG 59 -2.880 9.186 2.785 443 HG2 ARG 59 2HG ARG 59 -3.669 8.082 5.512 444 HG3 ARG 59 1HG ARG 59 -3.204 9.756 5.205 445 HD2 ARG 59 2HD ARG 59 -5.129 10.102 3.813 446 HD3 ARG 59 1HD ARG 59 -5.552 8.394 3.873 447 HE ARG 59 HE ARG 59 -5.433 9.563 6.449 448 HH11 ARG 59 1HH1 ARG 59 -7.514 9.323 3.582 449 HH12 ARG 59 2HH1 ARG 59 -8.966 9.450 4.472 450 HH21 ARG 59 1HH2 ARG 59 -7.477 9.722 7.654 451 HH22 ARG 59 2HH2 ARG 59 -8.938 9.677 6.791 452 H VAL 60 H VAL 60 -4.798 7.871 0.720 453 HA VAL 60 HA VAL 60 -2.624 7.226 -0.867 454 HB VAL 60 HB VAL 60 -4.305 7.362 -2.504 455 HG11 VAL 60 1HG1 VAL 60 -4.742 5.249 -0.385 456 HG12 VAL 60 2HG1 VAL 60 -3.643 5.173 -1.772 457 HG13 VAL 60 3HG1 VAL 60 -5.384 5.124 -2.027 458 HG21 VAL 60 3HG2 VAL 60 -6.657 7.100 -2.037 459 HG22 VAL 60 1HG2 VAL 60 -5.973 8.629 -1.508 460 HG23 VAL 60 2HG2 VAL 60 -6.322 7.359 -0.304 461 H SER 61 H SER 61 -3.273 8.767 -2.918 462 HA SER 61 HA SER 61 -2.605 11.347 -2.264 463 HB2 SER 61 2HB SER 61 -3.373 11.591 -4.631 464 HB3 SER 61 1HB SER 61 -2.167 10.315 -4.376 465 HG SER 61 HG SER 61 -4.881 9.780 -4.145 466 H GLU 62 H GLU 62 -3.967 12.911 -1.569 467 HA GLU 62 HA GLU 62 -6.654 12.631 -0.926 468 HB2 GLU 62 2HB GLU 62 -6.754 15.082 -0.773 469 HB3 GLU 62 1HB GLU 62 -5.330 14.409 0.018 470 HG2 GLU 62 2HG GLU 62 -3.940 15.102 -1.823 471 HG3 GLU 62 1HG GLU 62 -5.351 15.661 -2.722 472 H GLY 63 H GLY 63 -5.271 13.251 -3.987 473 HA2 GLY 63 2HA GLY 63 -7.603 12.717 -5.400 474 HA3 GLY 63 1HA GLY 63 -7.366 14.466 -5.358 475 H GLY 64 H GLY 64 -5.289 11.645 -5.638 476 HA2 GLY 64 2HA GLY 64 -3.911 12.972 -7.884 477 HA3 GLY 64 1HA GLY 64 -3.060 12.252 -6.516 478 HA PRO 65 HA PRO 65 -3.190 9.356 -10.079 479 HB2 PRO 65 2HB PRO 65 -0.758 8.232 -9.570 480 HB3 PRO 65 1HB PRO 65 -0.933 9.711 -10.503 481 HG2 PRO 65 2HG PRO 65 -0.244 9.367 -7.630 482 HG3 PRO 65 1HG PRO 65 0.449 10.468 -8.837 483 HD2 PRO 65 2HD PRO 65 -1.327 11.223 -7.000 484 HD3 PRO 65 1HD PRO 65 -1.307 11.981 -8.615 485 H ALA 66 H ALA 66 -2.281 8.735 -6.795 486 HA ALA 66 HA ALA 66 -2.488 5.948 -6.802 487 HB1 ALA 66 1HB ALA 66 -3.074 7.770 -4.473 488 HB2 ALA 66 2HB ALA 66 -1.476 7.188 -4.933 489 HB3 ALA 66 3HB ALA 66 -2.707 6.048 -4.375 490 H GLU 67 H GLU 67 -4.982 8.242 -5.592 491 HA GLU 67 HA GLU 67 -6.894 6.135 -5.658 492 HB2 GLU 67 2HB GLU 67 -8.649 7.807 -5.202 493 HB3 GLU 67 1HB GLU 67 -7.315 7.881 -4.066 494 HG2 GLU 67 2HG GLU 67 -6.600 9.926 -4.878 495 HG3 GLU 67 1HG GLU 67 -7.457 9.779 -6.402 496 H ILE 68 H ILE 68 -5.981 8.534 -7.982 497 HA ILE 68 HA ILE 68 -8.175 8.271 -9.710 498 HB ILE 68 HB ILE 68 -5.332 9.128 -10.119 499 HG12 ILE 68 2HG1 ILE 68 -6.703 10.710 -8.928 500 HG13 ILE 68 1HG1 ILE 68 -6.310 11.349 -10.515 501 HG21 ILE 68 1HG2 ILE 68 -5.844 9.918 -12.390 502 HG22 ILE 68 2HG2 ILE 68 -7.390 9.066 -12.322 503 HG23 ILE 68 3HG2 ILE 68 -5.871 8.166 -12.238 504 HD11 ILE 68 3HD1 ILE 68 -8.575 10.718 -11.287 505 HD12 ILE 68 1HD1 ILE 68 -8.605 11.855 -9.938 506 HD13 ILE 68 2HD1 ILE 68 -8.941 10.155 -9.654 507 H ALA 69 H ALA 69 -5.167 6.463 -9.521 508 HA ALA 69 HA ALA 69 -5.784 4.926 -11.854 509 HB1 ALA 69 1HB ALA 69 -3.733 4.432 -9.720 510 HB2 ALA 69 2HB ALA 69 -3.472 5.343 -11.213 511 HB3 ALA 69 3HB ALA 69 -3.812 3.616 -11.280 512 H GLY 70 H GLY 70 -5.608 4.124 -8.407 513 HA2 GLY 70 2HA GLY 70 -7.884 2.788 -7.986 514 HA3 GLY 70 1HA GLY 70 -7.013 1.623 -8.971 515 H LEU 71 H LEU 71 -5.335 3.679 -6.721 516 HA LEU 71 HA LEU 71 -4.825 1.341 -5.068 517 HB2 LEU 71 2HB LEU 71 -2.867 2.408 -5.969 518 HB3 LEU 71 1HB LEU 71 -3.348 3.971 -5.329 519 HG LEU 71 HG LEU 71 -2.559 3.398 -3.166 520 HD11 LEU 71 1HD1 LEU 71 -3.760 1.162 -3.029 521 HD12 LEU 71 2HD1 LEU 71 -2.044 0.932 -2.650 522 HD13 LEU 71 3HD1 LEU 71 -2.662 0.529 -4.242 523 HD21 LEU 71 3HD2 LEU 71 -0.392 2.446 -3.549 524 HD22 LEU 71 1HD2 LEU 71 -0.811 3.589 -4.822 525 HD23 LEU 71 2HD2 LEU 71 -0.898 1.853 -5.132 526 H GLN 72 H GLN 72 -5.757 1.103 -3.241 527 HA GLN 72 HA GLN 72 -7.050 3.443 -2.083 528 HB2 GLN 72 2HB GLN 72 -7.944 0.564 -2.032 529 HB3 GLN 72 1HB GLN 72 -8.713 1.901 -1.185 530 HG2 GLN 72 2HG GLN 72 -8.454 1.659 -4.164 531 HG3 GLN 72 1HG GLN 72 -9.896 1.262 -3.228 532 HE21 GLN 72 1HE2 GLN 72 -7.795 3.765 -4.268 533 HE22 GLN 72 2HE2 GLN 72 -8.861 5.080 -4.037 534 H ILE 73 H ILE 73 -7.136 3.539 0.048 535 HA ILE 73 HA ILE 73 -4.942 2.824 1.638 536 HB ILE 73 HB ILE 73 -7.747 3.559 2.527 537 HG12 ILE 73 2HG1 ILE 73 -5.294 5.277 2.166 538 HG13 ILE 73 1HG1 ILE 73 -6.694 5.270 1.096 539 HG21 ILE 73 1HG2 ILE 73 -6.728 4.234 4.633 540 HG22 ILE 73 2HG2 ILE 73 -5.175 3.617 4.073 541 HG23 ILE 73 3HG2 ILE 73 -6.525 2.510 4.325 542 HD11 ILE 73 3HD1 ILE 73 -8.087 6.062 2.955 543 HD12 ILE 73 1HD1 ILE 73 -6.758 7.171 2.602 544 HD13 ILE 73 2HD1 ILE 73 -6.664 6.075 3.990 545 H GLY 74 H GLY 74 -4.459 1.026 2.757 546 HA2 GLY 74 2HA GLY 74 -5.030 -0.771 4.246 547 HA3 GLY 74 1HA GLY 74 -6.604 -0.856 3.469 548 H ASP 75 H ASP 75 -5.329 -0.687 0.826 549 HA ASP 75 HA ASP 75 -4.980 -3.522 0.413 550 HB2 ASP 75 2HB ASP 75 -4.970 -1.163 -1.438 551 HB3 ASP 75 1HB ASP 75 -4.731 -2.829 -1.966 552 H LYS 76 H LYS 76 -3.450 -4.655 0.320 553 HA LYS 76 HA LYS 76 -0.877 -3.568 1.058 554 HB2 LYS 76 2HB LYS 76 -1.811 -6.422 0.730 555 HB3 LYS 76 1HB LYS 76 -0.208 -5.946 1.283 556 HG2 LYS 76 2HG LYS 76 -1.144 -4.877 3.212 557 HG3 LYS 76 1HG LYS 76 -2.784 -5.228 2.660 558 HD2 LYS 76 2HD LYS 76 -2.309 -7.628 2.893 559 HD3 LYS 76 1HD LYS 76 -0.662 -7.243 3.411 560 HE2 LYS 76 2HE LYS 76 -2.082 -7.692 5.340 561 HE3 LYS 76 1HE LYS 76 -1.546 -6.013 5.330 562 HZ1 LYS 76 3HZ LYS 76 -3.802 -5.903 5.847 563 HZ2 LYS 76 1HZ LYS 76 -4.240 -7.098 4.730 564 HZ3 LYS 76 2HZ LYS 76 -3.789 -5.561 4.200 565 H ILE 77 H ILE 77 0.789 -3.346 -0.204 566 HA ILE 77 HA ILE 77 0.366 -3.926 -3.016 567 HB ILE 77 HB ILE 77 2.723 -2.454 -1.863 568 HG12 ILE 77 2HG1 ILE 77 1.479 -0.316 -2.726 569 HG13 ILE 77 1HG1 ILE 77 0.016 -1.255 -2.504 570 HG21 ILE 77 1HG2 ILE 77 2.768 -1.468 -4.125 571 HG22 ILE 77 2HG2 ILE 77 1.384 -2.481 -4.551 572 HG23 ILE 77 3HG2 ILE 77 2.927 -3.225 -4.116 573 HD11 ILE 77 3HD1 ILE 77 0.501 -1.500 -0.163 574 HD12 ILE 77 1HD1 ILE 77 0.501 0.200 -0.612 575 HD13 ILE 77 2HD1 ILE 77 2.029 -0.640 -0.360 576 H MET 78 H MET 78 1.359 -5.606 -3.919 577 HA MET 78 HA MET 78 3.471 -6.861 -2.329 578 HB2 MET 78 2HB MET 78 1.529 -8.102 -4.274 579 HB3 MET 78 1HB MET 78 2.911 -8.963 -3.601 580 HG2 MET 78 2HG MET 78 0.652 -7.742 -2.043 581 HG3 MET 78 1HG MET 78 0.891 -9.461 -2.366 582 HE1 MET 78 3HE MET 78 0.629 -7.867 0.533 583 HE2 MET 78 1HE MET 78 1.734 -8.839 1.500 584 HE3 MET 78 2HE MET 78 0.597 -9.632 0.393 585 H GLN 79 H GLN 79 2.908 -5.110 -5.072 586 HA GLN 79 HA GLN 79 5.494 -5.802 -6.198 587 HB2 GLN 79 2HB GLN 79 3.873 -7.357 -7.162 588 HB3 GLN 79 1HB GLN 79 2.869 -6.011 -7.620 589 HG2 GLN 79 2HG GLN 79 5.618 -6.464 -8.706 590 HG3 GLN 79 1HG GLN 79 4.211 -7.206 -9.447 591 HE21 GLN 79 1HE2 GLN 79 6.159 -4.447 -9.170 592 HE22 GLN 79 2HE2 GLN 79 5.176 -3.414 -10.201 593 H VAL 80 H VAL 80 6.487 -3.933 -6.629 594 HA VAL 80 HA VAL 80 4.951 -1.612 -7.597 595 HB VAL 80 HB VAL 80 7.044 -1.627 -5.386 596 HG11 VAL 80 1HG1 VAL 80 5.954 0.804 -6.813 597 HG12 VAL 80 2HG1 VAL 80 7.605 0.199 -6.876 598 HG13 VAL 80 3HG1 VAL 80 6.956 0.827 -5.362 599 HG21 VAL 80 3HG2 VAL 80 4.847 -2.017 -4.571 600 HG22 VAL 80 1HG2 VAL 80 4.205 -0.612 -5.402 601 HG23 VAL 80 2HG2 VAL 80 5.355 -0.401 -4.094 602 H ASN 81 H ASN 81 5.759 -1.268 -9.571 603 HA ASN 81 HA ASN 81 7.115 -0.787 -11.217 604 HB2 ASN 81 2HB ASN 81 7.747 0.873 -9.387 605 HB3 ASN 81 1HB ASN 81 9.204 -0.092 -9.180 606 HD21 ASN 81 1HD2 ASN 81 7.570 0.550 -12.275 607 HD22 ASN 81 2HD2 ASN 81 8.840 1.477 -12.915 608 H GLY 82 H GLY 82 7.181 -3.543 -10.559 609 HA2 GLY 82 2HA GLY 82 8.310 -5.457 -11.119 610 HA3 GLY 82 1HA GLY 82 9.446 -4.396 -11.943 611 H TRP 83 H TRP 83 8.918 -4.022 -8.644 612 HA TRP 83 HA TRP 83 11.615 -5.091 -8.131 613 HB2 TRP 83 2HB TRP 83 12.114 -3.069 -7.233 614 HB3 TRP 83 1HB TRP 83 10.476 -2.593 -7.698 615 HD1 TRP 83 HD TRP 83 8.573 -2.761 -5.782 616 HE1 TRP 83 1HE TRP 83 8.758 -2.547 -3.198 617 HE3 TRP 83 3HE TRP 83 13.609 -3.440 -5.189 618 HZ2 TRP 83 2HZ TRP 83 10.624 -2.601 -1.296 619 HZ3 TRP 83 3HZ TRP 83 14.528 -3.338 -2.897 620 HH2 TRP 83 HH TRP 83 13.053 -2.929 -0.964 621 H ASP 84 H ASP 84 8.438 -5.962 -7.522 622 HA ASP 84 HA ASP 84 7.194 -6.744 -5.971 623 HB2 ASP 84 2HB ASP 84 9.706 -8.273 -5.687 624 HB3 ASP 84 1HB ASP 84 8.333 -8.517 -4.588 625 H MET 85 H MET 85 6.298 -5.830 -4.387 626 HA MET 85 HA MET 85 7.961 -4.488 -2.372 627 HB2 MET 85 2HB MET 85 6.318 -3.119 -3.630 628 HB3 MET 85 1HB MET 85 5.012 -4.118 -3.013 629 HG2 MET 85 2HG MET 85 5.085 -2.052 -1.784 630 HG3 MET 85 1HG MET 85 5.576 -3.373 -0.726 631 HE1 MET 85 3HE MET 85 6.636 -0.024 -2.454 632 HE2 MET 85 1HE MET 85 7.572 -1.148 -3.434 633 HE3 MET 85 2HE MET 85 8.388 -0.059 -2.315 634 H THR 86 H THR 86 6.490 -7.328 -2.801 635 HA THR 86 HA THR 86 5.332 -7.715 -0.250 636 HB THR 86 HB THR 86 4.794 -9.194 -2.218 637 HG1 THR 86 1HG THR 86 4.419 -9.893 -0.094 638 HG21 THR 86 3HG2 THR 86 7.078 -9.445 -3.126 639 HG22 THR 86 1HG2 THR 86 6.329 -11.020 -2.823 640 HG23 THR 86 2HG2 THR 86 7.518 -10.379 -1.691 641 H MET 87 H MET 87 6.210 -8.360 1.589 642 HA MET 87 HA MET 87 7.701 -8.532 3.240 643 HB2 MET 87 2HB MET 87 7.918 -10.796 2.272 644 HB3 MET 87 1HB MET 87 9.195 -10.213 1.234 645 HG2 MET 87 2HG MET 87 10.624 -9.761 3.143 646 HG3 MET 87 1HG MET 87 9.345 -10.266 4.242 647 HE1 MET 87 3HE MET 87 10.196 -12.010 0.795 648 HE2 MET 87 1HE MET 87 11.430 -13.163 1.295 649 HE3 MET 87 2HE MET 87 11.767 -11.432 1.353 650 H VAL 88 H VAL 88 8.116 -6.230 3.020 651 HA VAL 88 HA VAL 88 10.966 -5.739 2.842 652 HB VAL 88 HB VAL 88 10.102 -5.216 0.555 653 HG11 VAL 88 1HG1 VAL 88 7.812 -4.652 1.104 654 HG12 VAL 88 2HG1 VAL 88 8.576 -3.304 0.267 655 HG13 VAL 88 3HG1 VAL 88 8.367 -3.259 2.012 656 HG21 VAL 88 3HG2 VAL 88 10.922 -2.827 0.512 657 HG22 VAL 88 1HG2 VAL 88 11.995 -3.968 1.337 658 HG23 VAL 88 2HG2 VAL 88 10.947 -2.900 2.257 659 H THR 89 H THR 89 11.570 -3.939 4.042 660 HA THR 89 HA THR 89 9.860 -3.439 6.234 661 HB THR 89 HB THR 89 11.702 -1.782 6.841 662 HG1 THR 89 1HG THR 89 13.544 -2.993 5.306 663 HG21 THR 89 3HG2 THR 89 13.131 -3.533 7.673 664 HG22 THR 89 1HG2 THR 89 12.541 -4.649 6.424 665 HG23 THR 89 2HG2 THR 89 11.454 -4.106 7.678 666 H HIS 90 H HIS 90 9.196 -1.436 6.913 667 HA HIS 90 HA HIS 90 7.827 0.201 5.144 668 HB2 HIS 90 2HB HIS 90 7.462 0.170 7.565 669 HB3 HIS 90 1HB HIS 90 9.007 0.923 7.850 670 HD1 HIS 90 1HD HIS 90 5.484 1.716 7.579 671 HD2 HIS 90 2HD HIS 90 9.019 3.659 6.601 672 HE1 HIS 90 1HE HIS 90 4.846 4.034 7.118 673 H ASP 91 H ASP 91 11.094 0.481 6.429 674 HA ASP 91 HA ASP 91 11.675 3.068 5.482 675 HB2 ASP 91 2HB ASP 91 12.901 1.620 7.222 676 HB3 ASP 91 1HB ASP 91 13.722 0.916 5.836 677 H GLN 92 H GLN 92 12.338 -0.169 4.127 678 HA GLN 92 HA GLN 92 13.716 0.926 1.892 679 HB2 GLN 92 2HB GLN 92 13.158 -1.759 2.878 680 HB3 GLN 92 1HB GLN 92 13.003 -1.653 1.145 681 HG2 GLN 92 2HG GLN 92 15.269 -2.273 1.731 682 HG3 GLN 92 1HG GLN 92 15.244 -0.693 0.962 683 HE21 GLN 92 1HE2 GLN 92 14.415 -1.362 4.343 684 HE22 GLN 92 2HE2 GLN 92 15.773 -0.516 4.987 685 H ALA 93 H ALA 93 10.468 -0.051 2.502 686 HA ALA 93 HA ALA 93 9.542 0.030 -0.159 687 HB1 ALA 93 1HB ALA 93 8.351 -1.016 1.677 688 HB2 ALA 93 2HB ALA 93 7.343 0.153 0.823 689 HB3 ALA 93 3HB ALA 93 8.046 0.565 2.390 690 H ARG 94 H ARG 94 9.638 2.393 2.445 691 HA ARG 94 HA ARG 94 8.352 4.523 1.219 692 HB2 ARG 94 2HB ARG 94 10.456 4.317 3.327 693 HB3 ARG 94 1HB ARG 94 9.998 5.917 2.758 694 HG2 ARG 94 2HG ARG 94 8.042 3.913 3.804 695 HG3 ARG 94 1HG ARG 94 8.895 5.054 4.839 696 HD2 ARG 94 2HD ARG 94 7.253 5.817 2.462 697 HD3 ARG 94 1HD ARG 94 6.604 5.803 4.115 698 HE ARG 94 HE ARG 94 9.001 7.356 3.833 699 HH11 ARG 94 1HH1 ARG 94 5.465 7.556 3.621 700 HH12 ARG 94 2HH1 ARG 94 5.418 9.257 3.580 701 HH21 ARG 94 1HH2 ARG 94 8.927 9.718 3.851 702 HH22 ARG 94 2HH2 ARG 94 7.440 10.516 3.740 703 H LYS 95 H LYS 95 11.613 3.446 1.037 704 HA LYS 95 HA LYS 95 12.497 5.682 -0.556 705 HB2 LYS 95 2HB LYS 95 13.847 4.547 1.302 706 HB3 LYS 95 1HB LYS 95 14.027 3.190 0.217 707 HG2 LYS 95 2HG LYS 95 16.046 4.360 0.029 708 HG3 LYS 95 1HG LYS 95 15.141 4.840 -1.398 709 HD2 LYS 95 2HD LYS 95 15.244 6.498 1.137 710 HD3 LYS 95 1HD LYS 95 16.401 6.694 -0.165 711 HE2 LYS 95 2HE LYS 95 14.430 7.233 -1.678 712 HE3 LYS 95 1HE LYS 95 13.426 7.202 -0.228 713 HZ1 LYS 95 3HZ LYS 95 14.092 9.439 -0.760 714 HZ2 LYS 95 1HZ LYS 95 15.721 9.037 -0.603 715 HZ3 LYS 95 2HZ LYS 95 14.682 8.965 0.713 716 H ARG 96 H ARG 96 10.451 3.965 -1.529 717 HA ARG 96 HA ARG 96 11.591 3.467 -4.114 718 HB2 ARG 96 2HB ARG 96 11.768 1.231 -3.030 719 HB3 ARG 96 1HB ARG 96 10.031 1.259 -2.743 720 HG2 ARG 96 2HG ARG 96 10.481 -0.098 -4.687 721 HG3 ARG 96 1HG ARG 96 9.668 1.380 -5.202 722 HD2 ARG 96 2HD ARG 96 11.966 2.332 -5.680 723 HD3 ARG 96 1HD ARG 96 12.601 0.713 -5.411 724 HE ARG 96 HE ARG 96 10.665 1.409 -7.508 725 HH11 ARG 96 1HH1 ARG 96 13.416 -0.532 -6.421 726 HH12 ARG 96 2HH1 ARG 96 13.830 -1.077 -7.986 727 HH21 ARG 96 1HH2 ARG 96 11.288 0.666 -9.697 728 HH22 ARG 96 2HH2 ARG 96 12.601 -0.389 -9.849 729 H LEU 97 H LEU 97 8.657 3.284 -2.143 730 HA LEU 97 HA LEU 97 7.133 3.987 -4.510 731 HB2 LEU 97 2HB LEU 97 5.173 3.766 -2.925 732 HB3 LEU 97 1HB LEU 97 6.034 2.314 -3.419 733 HG LEU 97 HG LEU 97 7.229 2.417 -1.215 734 HD11 LEU 97 1HD1 LEU 97 6.872 4.776 -0.688 735 HD12 LEU 97 2HD1 LEU 97 6.261 3.727 0.588 736 HD13 LEU 97 3HD1 LEU 97 5.139 4.484 -0.546 737 HD21 LEU 97 3HD2 LEU 97 5.232 1.055 -1.778 738 HD22 LEU 97 1HD2 LEU 97 4.299 2.319 -0.978 739 HD23 LEU 97 2HD2 LEU 97 5.521 1.403 -0.058 740 H THR 98 H THR 98 8.262 5.587 -1.722 741 HA THR 98 HA THR 98 6.736 7.849 -2.790 742 HB THR 98 HB THR 98 6.019 7.259 -0.476 743 HG1 THR 98 1HG THR 98 7.254 9.751 -0.902 744 HG21 THR 98 3HG2 THR 98 8.795 8.126 0.264 745 HG22 THR 98 1HG2 THR 98 8.122 6.500 0.379 746 HG23 THR 98 2HG2 THR 98 7.478 7.792 1.397 747 H LYS 99 H LYS 99 9.607 6.644 -3.089 748 HA LYS 99 HA LYS 99 11.271 8.893 -2.710 749 HB2 LYS 99 2HB LYS 99 12.910 7.783 -4.145 750 HB3 LYS 99 1HB LYS 99 12.107 6.573 -3.160 751 HG2 LYS 99 2HG LYS 99 11.053 5.601 -4.887 752 HG3 LYS 99 1HG LYS 99 11.048 7.058 -5.894 753 HD2 LYS 99 2HD LYS 99 12.612 5.392 -6.815 754 HD3 LYS 99 1HD LYS 99 13.487 6.804 -6.234 755 HE2 LYS 99 2HE LYS 99 13.958 5.573 -4.133 756 HE3 LYS 99 1HE LYS 99 13.175 4.170 -4.825 757 HZ1 LYS 99 3HZ LYS 99 15.681 5.441 -5.818 758 HZ2 LYS 99 1HZ LYS 99 14.876 4.190 -6.620 759 HZ3 LYS 99 2HZ LYS 99 15.522 3.945 -5.098 760 H ARG 100 H ARG 100 12.120 10.277 -4.464 761 HA ARG 100 HA ARG 100 9.816 11.165 -6.069 762 HB2 ARG 100 2HB ARG 100 10.980 13.370 -6.048 763 HB3 ARG 100 1HB ARG 100 10.435 12.815 -4.472 764 HG2 ARG 100 2HG ARG 100 12.695 12.035 -4.009 765 HG3 ARG 100 1HG ARG 100 13.214 12.650 -5.574 766 HD2 ARG 100 2HD ARG 100 13.765 14.249 -3.810 767 HD3 ARG 100 1HD ARG 100 12.503 14.920 -4.845 768 HE ARG 100 HE ARG 100 11.277 13.592 -2.712 769 HH11 ARG 100 1HH1 ARG 100 13.325 16.435 -3.193 770 HH12 ARG 100 2HH1 ARG 100 12.682 17.288 -1.877 771 HH21 ARG 100 1HH2 ARG 100 10.403 14.781 -0.869 772 HH22 ARG 100 2HH2 ARG 100 10.988 16.357 -0.567 773 H SER 101 H SER 101 12.410 9.426 -6.568 774 HA SER 101 HA SER 101 13.550 10.794 -8.811 775 HB2 SER 101 2HB SER 101 14.769 9.211 -7.320 776 HB3 SER 101 1HB SER 101 13.825 7.908 -8.019 777 HG SER 101 HG SER 101 14.680 8.618 -10.124 778 H GLU 102 H GLU 102 11.147 8.315 -8.309 779 HA GLU 102 HA GLU 102 11.090 7.748 -11.164 780 HB2 GLU 102 2HB GLU 102 11.167 5.895 -9.465 781 HB3 GLU 102 1HB GLU 102 9.543 6.366 -8.979 782 HG2 GLU 102 2HG GLU 102 9.588 4.461 -10.543 783 HG3 GLU 102 1HG GLU 102 8.679 5.849 -11.150 784 H GLU 103 H GLU 103 9.219 7.903 -12.390 785 HA GLU 103 HA GLU 103 7.326 9.831 -11.290 786 HB2 GLU 103 2HB GLU 103 6.654 10.224 -13.706 787 HB3 GLU 103 1HB GLU 103 8.260 10.820 -13.245 788 HG2 GLU 103 2HG GLU 103 9.114 8.750 -14.378 789 HG3 GLU 103 1HG GLU 103 7.466 8.426 -14.856 790 H VAL 104 H VAL 104 7.157 7.173 -13.629 791 HA VAL 104 HA VAL 104 4.661 6.522 -12.378 792 HB VAL 104 HB VAL 104 4.037 7.395 -14.445 793 HG11 VAL 104 1HG1 VAL 104 6.007 7.513 -15.595 794 HG12 VAL 104 2HG1 VAL 104 4.781 6.680 -16.556 795 HG13 VAL 104 3HG1 VAL 104 6.106 5.741 -15.807 796 HG21 VAL 104 3HG2 VAL 104 2.890 5.348 -13.881 797 HG22 VAL 104 1HG2 VAL 104 4.057 4.412 -14.814 798 HG23 VAL 104 2HG2 VAL 104 2.986 5.565 -15.636 799 H VAL 105 H VAL 105 4.169 4.594 -11.884 800 HA VAL 105 HA VAL 105 6.200 2.497 -12.134 801 HB VAL 105 HB VAL 105 5.596 1.925 -9.726 802 HG11 VAL 105 1HG1 VAL 105 7.066 3.631 -8.756 803 HG12 VAL 105 2HG1 VAL 105 6.868 4.624 -10.197 804 HG13 VAL 105 3HG1 VAL 105 7.703 3.076 -10.305 805 HG21 VAL 105 3HG2 VAL 105 4.640 3.720 -8.373 806 HG22 VAL 105 1HG2 VAL 105 3.513 3.196 -9.626 807 HG23 VAL 105 2HG2 VAL 105 4.416 4.700 -9.821 808 H ARG 106 H ARG 106 5.363 0.406 -12.238 809 HA ARG 106 HA ARG 106 2.452 0.138 -12.545 810 HB2 ARG 106 2HB ARG 106 4.470 -2.054 -12.985 811 HB3 ARG 106 1HB ARG 106 2.903 -1.852 -13.737 812 HG2 ARG 106 2HG ARG 106 5.348 -0.188 -14.329 813 HG3 ARG 106 1HG ARG 106 4.790 -1.546 -15.289 814 HD2 ARG 106 2HD ARG 106 2.756 -0.285 -15.848 815 HD3 ARG 106 1HD ARG 106 3.324 1.063 -14.847 816 HE ARG 106 HE ARG 106 5.404 0.651 -16.477 817 HH11 ARG 106 1HH1 ARG 106 2.003 1.352 -17.206 818 HH12 ARG 106 2HH1 ARG 106 2.345 1.868 -18.789 819 HH21 ARG 106 1HH2 ARG 106 5.823 1.388 -18.583 820 HH22 ARG 106 2HH2 ARG 106 4.566 1.935 -19.593 821 H LEU 107 H LEU 107 1.483 -0.417 -10.591 822 HA LEU 107 HA LEU 107 3.019 -1.970 -8.614 823 HB2 LEU 107 2HB LEU 107 0.524 -0.407 -8.127 824 HB3 LEU 107 1HB LEU 107 1.729 -0.932 -6.978 825 HG LEU 107 HG LEU 107 1.996 1.293 -8.980 826 HD11 LEU 107 1HD1 LEU 107 1.878 1.267 -5.989 827 HD12 LEU 107 2HD1 LEU 107 0.622 1.806 -7.110 828 HD13 LEU 107 3HD1 LEU 107 2.159 2.683 -7.013 829 HD21 LEU 107 3HD2 LEU 107 4.159 1.721 -7.925 830 HD22 LEU 107 1HD2 LEU 107 4.112 0.162 -8.749 831 HD23 LEU 107 2HD2 LEU 107 3.974 0.243 -6.993 832 H LEU 108 H LEU 108 1.741 -3.472 -7.374 833 HA LEU 108 HA LEU 108 -0.875 -4.220 -8.413 834 HB2 LEU 108 2HB LEU 108 1.483 -5.756 -8.711 835 HB3 LEU 108 1HB LEU 108 0.412 -6.630 -7.595 836 HG LEU 108 HG LEU 108 -1.286 -6.269 -9.521 837 HD11 LEU 108 1HD1 LEU 108 0.054 -4.667 -10.782 838 HD12 LEU 108 2HD1 LEU 108 -0.267 -6.111 -11.744 839 HD13 LEU 108 3HD1 LEU 108 1.315 -5.879 -11.001 840 HD21 LEU 108 3HD2 LEU 108 -0.507 -8.299 -10.660 841 HD22 LEU 108 1HD2 LEU 108 -0.374 -8.452 -8.909 842 HD23 LEU 108 2HD2 LEU 108 1.064 -8.130 -9.878 843 H VAL 109 H VAL 109 -2.247 -4.330 -6.837 844 HA VAL 109 HA VAL 109 -1.232 -4.860 -4.132 845 HB VAL 109 HB VAL 109 -3.044 -3.635 -3.110 846 HG11 VAL 109 1HG1 VAL 109 -2.443 -1.431 -3.509 847 HG12 VAL 109 2HG1 VAL 109 -1.674 -1.873 -5.058 848 HG13 VAL 109 3HG1 VAL 109 -1.029 -2.488 -3.519 849 HG21 VAL 109 3HG2 VAL 109 -4.596 -2.256 -4.248 850 HG22 VAL 109 1HG2 VAL 109 -4.762 -3.903 -4.828 851 HG23 VAL 109 2HG2 VAL 109 -3.930 -2.697 -5.826 852 H THR 110 H THR 110 -2.453 -6.047 -2.802 853 HA THR 110 HA THR 110 -4.408 -7.689 -4.208 854 HB THR 110 HB THR 110 -4.160 -9.248 -2.308 855 HG1 THR 110 1HG THR 110 -3.017 -7.205 -1.155 856 HG21 THR 110 3HG2 THR 110 -2.884 -9.505 -4.344 857 HG22 THR 110 1HG2 THR 110 -1.960 -10.068 -2.940 858 HG23 THR 110 2HG2 THR 110 -1.603 -8.493 -3.681 859 H ARG 111 H ARG 111 -6.430 -7.354 -3.770 860 HA ARG 111 HA ARG 111 -7.036 -5.227 -2.009 861 HB2 ARG 111 2HB ARG 111 -8.843 -7.060 -3.555 862 HB3 ARG 111 1HB ARG 111 -9.440 -5.802 -2.484 863 HG2 ARG 111 2HG ARG 111 -8.065 -4.181 -3.871 864 HG3 ARG 111 1HG ARG 111 -7.890 -5.502 -5.034 865 HD2 ARG 111 2HD ARG 111 -9.785 -4.070 -5.619 866 HD3 ARG 111 1HD ARG 111 -10.313 -5.700 -5.173 867 HE ARG 111 HE ARG 111 -10.327 -4.060 -2.901 868 HH11 ARG 111 1HH1 ARG 111 -12.170 -4.359 -5.913 869 HH12 ARG 111 2HH1 ARG 111 -13.622 -3.794 -5.218 870 HH21 ARG 111 1HH2 ARG 111 -12.298 -3.360 -1.966 871 HH22 ARG 111 2HH2 ARG 111 -13.715 -3.277 -2.901 872 H GLN 112 H GLN 112 -7.095 -5.333 -0.049 873 HA GLN 112 HA GLN 112 -7.894 -7.846 1.271 874 HB2 GLN 112 2HB GLN 112 -6.412 -5.514 2.493 875 HB3 GLN 112 1HB GLN 112 -6.694 -7.081 3.227 876 HG2 GLN 112 2HG GLN 112 -5.055 -6.537 0.814 877 HG3 GLN 112 1HG GLN 112 -4.401 -6.803 2.444 878 HE21 GLN 112 1HE2 GLN 112 -5.531 -8.213 -0.464 879 HE22 GLN 112 2HE2 GLN 112 -5.332 -9.864 -0.046 880 H SER 113 H SER 113 -9.029 -5.122 0.174 881 HA SER 113 HA SER 113 -10.548 -4.002 2.283 882 HB2 SER 113 2HB SER 113 -11.568 -2.969 0.084 883 HB3 SER 113 1HB SER 113 -9.942 -2.537 0.638 884 HG SER 113 HG SER 113 -9.101 -3.460 -1.037 885 H LEU 114 H LEU 114 -10.857 -6.736 1.990 886 HA LEU 114 HA LEU 114 -13.346 -7.433 0.649 887 HB2 LEU 114 2HB LEU 114 -11.132 -8.841 2.006 888 HB3 LEU 114 1HB LEU 114 -12.686 -9.632 1.969 889 HG LEU 114 HG LEU 114 -12.629 -9.802 -0.413 890 HD11 LEU 114 1HD1 LEU 114 -11.675 -7.615 -0.960 891 HD12 LEU 114 2HD1 LEU 114 -10.818 -8.926 -1.774 892 HD13 LEU 114 3HD1 LEU 114 -10.108 -8.154 -0.354 893 HD21 LEU 114 3HD2 LEU 114 -10.649 -11.140 -0.714 894 HD22 LEU 114 1HD2 LEU 114 -11.372 -11.431 0.862 895 HD23 LEU 114 2HD2 LEU 114 -9.925 -10.430 0.730 896 H GLN 115 H GLN 115 -14.539 -9.154 2.042 897 HA GLN 115 HA GLN 115 -14.965 -8.348 4.803 898 HB2 GLN 115 2HB GLN 115 -17.044 -9.025 2.706 899 HB3 GLN 115 1HB GLN 115 -17.387 -9.057 4.431 900 HG2 GLN 115 2HG GLN 115 -16.463 -6.632 2.903 901 HG3 GLN 115 1HG GLN 115 -18.141 -6.996 3.308 902 HE21 GLN 115 1HE2 GLN 115 -15.040 -6.070 4.572 903 HE22 GLN 115 2HE2 GLN 115 -15.592 -5.518 6.101 904 H LYS 116 H LYS 116 -15.954 -10.274 5.983 905 HA LYS 116 HA LYS 116 -15.835 -12.390 6.721 906 HB2 LYS 116 2HB LYS 116 -15.177 -13.113 3.871 907 HB3 LYS 116 1HB LYS 116 -15.481 -14.305 5.140 908 HG2 LYS 116 2HG LYS 116 -17.779 -13.522 5.328 909 HG3 LYS 116 1HG LYS 116 -17.468 -12.250 4.145 910 HD2 LYS 116 2HD LYS 116 -18.629 -14.076 3.068 911 HD3 LYS 116 1HD LYS 116 -16.980 -13.996 2.456 912 HE2 LYS 116 2HE LYS 116 -17.585 -16.301 2.846 913 HE3 LYS 116 1HE LYS 116 -16.352 -15.825 4.006 914 HZ1 LYS 116 3HZ LYS 116 -19.262 -15.992 4.542 915 HZ2 LYS 116 1HZ LYS 116 -18.112 -15.555 5.682 916 HZ3 LYS 116 2HZ LYS 116 -18.130 -17.107 5.030 917 H ALA 117 H ALA 117 -13.375 -11.218 4.861 918 HA ALA 117 HA ALA 117 -11.247 -12.470 6.447 919 HB1 ALA 117 1HB ALA 117 -11.189 -10.787 3.923 920 HB2 ALA 117 2HB ALA 117 -10.858 -12.518 4.030 921 HB3 ALA 117 3HB ALA 117 -9.754 -11.358 4.767 922 H VAL 118 H VAL 118 -9.558 -10.827 7.133 923 HA VAL 118 HA VAL 118 -8.919 -9.056 8.298 924 HB VAL 118 HB VAL 118 -11.323 -7.537 7.197 925 HG11 VAL 118 1HG1 VAL 118 -8.778 -6.513 8.447 926 HG12 VAL 118 2HG1 VAL 118 -10.392 -6.495 9.159 927 HG13 VAL 118 3HG1 VAL 118 -10.047 -5.510 7.735 928 HG21 VAL 118 3HG2 VAL 118 -8.506 -7.629 6.111 929 HG22 VAL 118 1HG2 VAL 118 -9.777 -6.543 5.549 930 HG23 VAL 118 2HG2 VAL 118 -9.947 -8.285 5.341 931 H GLN 119 H GLN 119 -9.265 -10.135 10.091 932 HA GLN 119 HA GLN 119 -11.680 -10.585 11.353 933 HB2 GLN 119 2HB GLN 119 -9.007 -10.239 12.703 934 HB3 GLN 119 1HB GLN 119 -10.458 -10.840 13.489 935 HG2 GLN 119 2HG GLN 119 -8.867 -12.144 11.308 936 HG3 GLN 119 1HG GLN 119 -9.153 -12.715 12.944 937 HE21 GLN 119 1HE2 GLN 119 -11.252 -13.523 13.467 938 HE22 GLN 119 2HE2 GLN 119 -12.296 -14.108 12.226 939 H GLN 120 H GLN 120 -12.817 -9.678 12.870 940 HA GLN 120 HA GLN 120 -13.610 -7.163 12.452 941 HB2 GLN 120 2HB GLN 120 -14.949 -7.348 14.474 942 HB3 GLN 120 1HB GLN 120 -14.985 -8.800 13.490 943 HG2 GLN 120 2HG GLN 120 -13.331 -9.831 15.006 944 HG3 GLN 120 1HG GLN 120 -13.401 -8.375 15.996 945 HE21 GLN 120 1HE2 GLN 120 -16.324 -8.088 15.528 946 HE22 GLN 120 2HE2 GLN 120 -17.012 -9.299 16.539 947 H SER 121 H SER 121 -11.212 -7.995 14.955 948 HA SER 121 HA SER 121 -9.957 -6.748 16.385 949 HB2 SER 121 2HB SER 121 -10.362 -4.615 14.269 950 HB3 SER 121 1HB SER 121 -9.104 -4.605 15.509 951 HG SER 121 HG SER 121 -8.774 -5.476 13.239 952 H MET 122 H MET 122 -12.792 -6.753 16.715 953 HA MET 122 HA MET 122 -14.501 -5.917 17.893 954 HB2 MET 122 2HB MET 122 -12.370 -4.241 19.224 955 HB3 MET 122 1HB MET 122 -14.019 -4.404 19.807 956 HG2 MET 122 2HG MET 122 -11.968 -6.598 19.575 957 HG3 MET 122 1HG MET 122 -12.527 -5.841 21.061 958 HE1 MET 122 3HE MET 122 -15.058 -6.102 21.977 959 HE2 MET 122 1HE MET 122 -16.289 -7.070 21.168 960 HE3 MET 122 2HE MET 122 -15.697 -5.593 20.411 961 H LEU 123 H LEU 123 -13.249 -4.261 15.516 962 HA LEU 123 HA LEU 123 -14.774 -1.801 15.900 963 HB2 LEU 123 2HB LEU 123 -12.911 -2.734 13.730 964 HB3 LEU 123 1HB LEU 123 -13.807 -1.228 13.641 965 HG LEU 123 HG LEU 123 -11.785 -1.888 15.782 966 HD11 LEU 123 1HD1 LEU 123 -10.334 -0.306 14.606 967 HD12 LEU 123 2HD1 LEU 123 -11.520 -0.191 13.304 968 HD13 LEU 123 3HD1 LEU 123 -10.701 -1.723 13.628 969 HD21 LEU 123 3HD2 LEU 123 -13.460 -0.272 16.498 970 HD22 LEU 123 1HD2 LEU 123 -13.183 0.677 15.035 971 HD23 LEU 123 2HD2 LEU 123 -11.904 0.515 16.233 972 H SER 124 H SER 124 -14.796 -4.787 14.191 973 HA SER 124 HA SER 124 -17.258 -4.020 12.871 974 HB2 SER 124 2HB SER 124 -15.444 -6.402 12.430 975 HB3 SER 124 1HB SER 124 -16.921 -6.080 11.528 976 HG SER 124 HG SER 124 -14.704 -4.283 11.650 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 2.837 -14.609 -24.553 2 H2 GLY 1 2HT GLY 1 1.391 -14.378 -23.712 3 H3 GLY 1 3HT GLY 1 2.210 -15.837 -23.560 4 HA2 GLY 1 1HA GLY 1 4.020 -14.702 -22.445 5 HA3 GLY 1 2HA GLY 1 3.125 -13.193 -22.628 6 H SER 2 H SER 2 3.782 -15.680 -20.584 7 HA SER 2 HA SER 2 1.204 -15.822 -19.307 8 HB2 SER 2 2HB SER 2 3.865 -16.972 -18.468 9 HB3 SER 2 1HB SER 2 2.263 -17.495 -17.936 10 HG SER 2 HG SER 2 2.093 -17.645 -20.477 11 H TYR 3 H TYR 3 0.977 -15.250 -16.992 12 HA TYR 3 HA TYR 3 2.899 -13.337 -15.964 13 HB2 TYR 3 2HB TYR 3 1.166 -12.134 -17.366 14 HB3 TYR 3 1HB TYR 3 -0.050 -12.740 -16.257 15 HD1 TYR 3 2HD TYR 3 -0.084 -11.930 -13.926 16 HD2 TYR 3 1HD TYR 3 2.538 -10.306 -16.818 17 HE1 TYR 3 2HE TYR 3 0.260 -9.944 -12.482 18 HE2 TYR 3 1HE TYR 3 2.901 -8.320 -15.408 19 HH TYR 3 HH TYR 3 1.546 -7.166 -13.643 20 H ILE 4 H ILE 4 3.217 -13.911 -13.876 21 HA ILE 4 HA ILE 4 0.979 -15.194 -12.457 22 HB ILE 4 HB ILE 4 3.943 -15.754 -12.063 23 HG12 ILE 4 2HG1 ILE 4 3.072 -16.767 -14.149 24 HG13 ILE 4 1HG1 ILE 4 3.514 -17.991 -12.970 25 HG21 ILE 4 1HG2 ILE 4 2.689 -15.925 -9.979 26 HG22 ILE 4 2HG2 ILE 4 3.233 -17.514 -10.521 27 HG23 ILE 4 3HG2 ILE 4 1.549 -17.033 -10.745 28 HD11 ILE 4 3HD1 ILE 4 1.147 -18.288 -12.410 29 HD12 ILE 4 1HD1 ILE 4 1.449 -18.566 -14.125 30 HD13 ILE 4 2HD1 ILE 4 0.717 -17.054 -13.594 31 HA PRO 5 HA PRO 5 1.916 -11.521 -9.968 32 HB2 PRO 5 2HB PRO 5 -0.585 -11.338 -8.906 33 HB3 PRO 5 1HB PRO 5 -0.122 -10.590 -10.443 34 HG2 PRO 5 2HG PRO 5 -1.851 -12.890 -9.917 35 HG3 PRO 5 1HG PRO 5 -1.683 -11.939 -11.395 36 HD2 PRO 5 2HD PRO 5 -0.590 -14.531 -10.840 37 HD3 PRO 5 1HD PRO 5 -0.404 -13.538 -12.301 38 H GLY 6 H GLY 6 1.277 -11.026 -7.648 39 HA2 GLY 6 2HA GLY 6 1.938 -13.336 -6.008 40 HA3 GLY 6 1HA GLY 6 1.974 -11.651 -5.494 41 H GLN 7 H GLN 7 -0.631 -13.384 -7.053 42 HA GLN 7 HA GLN 7 -2.459 -12.635 -4.918 43 HB2 GLN 7 2HB GLN 7 -3.077 -12.215 -7.249 44 HB3 GLN 7 1HB GLN 7 -2.881 -13.917 -7.643 45 HG2 GLN 7 2HG GLN 7 -4.971 -12.858 -5.737 46 HG3 GLN 7 1HG GLN 7 -5.233 -13.002 -7.464 47 HE21 GLN 7 1HE2 GLN 7 -3.763 -15.511 -7.717 48 HE22 GLN 7 2HE2 GLN 7 -4.745 -16.706 -6.985 49 HA PRO 8 HA PRO 8 -2.009 -16.710 -3.247 50 HB2 PRO 8 2HB PRO 8 -3.978 -16.693 -1.400 51 HB3 PRO 8 1HB PRO 8 -2.511 -15.720 -1.221 52 HG2 PRO 8 2HG PRO 8 -5.242 -14.874 -2.086 53 HG3 PRO 8 1HG PRO 8 -4.060 -14.011 -1.091 54 HD2 PRO 8 2HD PRO 8 -4.486 -13.555 -3.825 55 HD3 PRO 8 1HD PRO 8 -3.056 -13.119 -2.868 56 H VAL 9 H VAL 9 -5.453 -16.580 -2.740 57 HA VAL 9 HA VAL 9 -5.983 -18.391 -4.959 58 HB VAL 9 HB VAL 9 -7.344 -19.900 -3.423 59 HG11 VAL 9 1HG1 VAL 9 -4.352 -19.868 -3.034 60 HG12 VAL 9 2HG1 VAL 9 -5.218 -20.661 -4.346 61 HG13 VAL 9 3HG1 VAL 9 -5.401 -21.240 -2.690 62 HG21 VAL 9 3HG2 VAL 9 -5.708 -18.541 -1.279 63 HG22 VAL 9 1HG2 VAL 9 -6.653 -20.014 -1.049 64 HG23 VAL 9 2HG2 VAL 9 -7.461 -18.498 -1.454 65 H THR 10 H THR 10 -7.341 -16.533 -2.307 66 HA THR 10 HA THR 10 -9.849 -16.354 -3.792 67 HB THR 10 HB THR 10 -10.187 -17.320 -1.672 68 HG1 THR 10 1HG THR 10 -11.822 -15.875 -2.088 69 HG21 THR 10 3HG2 THR 10 -8.657 -14.995 -0.569 70 HG22 THR 10 1HG2 THR 10 -8.169 -16.673 -0.548 71 HG23 THR 10 2HG2 THR 10 -9.531 -16.145 0.456 72 H ALA 11 H ALA 11 -7.424 -14.398 -2.233 73 HA ALA 11 HA ALA 11 -8.725 -11.936 -2.151 74 HB1 ALA 11 1HB ALA 11 -6.639 -12.389 -0.981 75 HB2 ALA 11 2HB ALA 11 -6.589 -10.908 -1.951 76 HB3 ALA 11 3HB ALA 11 -5.803 -12.368 -2.537 77 H VAL 12 H VAL 12 -8.653 -10.107 -3.368 78 HA VAL 12 HA VAL 12 -8.457 -10.589 -6.208 79 HB VAL 12 HB VAL 12 -9.501 -8.163 -4.715 80 HG11 VAL 12 1HG1 VAL 12 -10.535 -7.514 -6.834 81 HG12 VAL 12 2HG1 VAL 12 -9.781 -8.898 -7.625 82 HG13 VAL 12 3HG1 VAL 12 -8.779 -7.598 -6.980 83 HG21 VAL 12 3HG2 VAL 12 -10.849 -10.133 -4.266 84 HG22 VAL 12 1HG2 VAL 12 -10.999 -10.442 -5.996 85 HG23 VAL 12 2HG2 VAL 12 -11.724 -8.997 -5.293 86 H VAL 13 H VAL 13 -6.799 -9.938 -7.349 87 HA VAL 13 HA VAL 13 -4.905 -7.978 -6.245 88 HB VAL 13 HB VAL 13 -4.003 -10.296 -6.695 89 HG11 VAL 13 1HG1 VAL 13 -3.541 -10.983 -9.008 90 HG12 VAL 13 2HG1 VAL 13 -4.536 -9.643 -9.577 91 HG13 VAL 13 3HG1 VAL 13 -5.260 -10.934 -8.620 92 HG21 VAL 13 3HG2 VAL 13 -2.492 -8.423 -6.620 93 HG22 VAL 13 1HG2 VAL 13 -2.767 -8.077 -8.329 94 HG23 VAL 13 2HG2 VAL 13 -1.951 -9.569 -7.851 95 H GLN 14 H GLN 14 -4.233 -6.290 -7.603 96 HA GLN 14 HA GLN 14 -5.255 -6.151 -10.293 97 HB2 GLN 14 2HB GLN 14 -6.501 -4.041 -9.936 98 HB3 GLN 14 1HB GLN 14 -7.208 -5.392 -9.066 99 HG2 GLN 14 2HG GLN 14 -7.285 -3.939 -7.365 100 HG3 GLN 14 1HG GLN 14 -5.581 -4.350 -7.180 101 HE21 GLN 14 1HE2 GLN 14 -4.033 -2.889 -7.903 102 HE22 GLN 14 2HE2 GLN 14 -4.453 -1.230 -8.159 103 H ARG 15 H ARG 15 -4.414 -4.353 -11.471 104 HA ARG 15 HA ARG 15 -1.795 -3.589 -10.427 105 HB2 ARG 15 2HB ARG 15 -1.159 -3.086 -12.757 106 HB3 ARG 15 1HB ARG 15 -1.750 -4.724 -12.623 107 HG2 ARG 15 2HG ARG 15 -2.725 -4.045 -14.598 108 HG3 ARG 15 1HG ARG 15 -4.007 -3.678 -13.453 109 HD2 ARG 15 2HD ARG 15 -3.813 -1.798 -14.940 110 HD3 ARG 15 1HD ARG 15 -3.134 -1.318 -13.382 111 HE ARG 15 HE ARG 15 -1.091 -2.330 -15.003 112 HH11 ARG 15 1HH1 ARG 15 -3.199 0.574 -14.887 113 HH12 ARG 15 2HH1 ARG 15 -2.051 1.587 -15.616 114 HH21 ARG 15 1HH2 ARG 15 0.460 -0.879 -16.039 115 HH22 ARG 15 2HH2 ARG 15 0.098 0.769 -16.207 116 H VAL 16 H VAL 16 -1.174 -1.523 -10.271 117 HA VAL 16 HA VAL 16 -3.180 0.481 -10.895 118 HB VAL 16 HB VAL 16 -3.173 -0.275 -8.476 119 HG11 VAL 16 1HG1 VAL 16 -0.595 1.052 -8.364 120 HG12 VAL 16 2HG1 VAL 16 -1.019 -0.623 -7.997 121 HG13 VAL 16 3HG1 VAL 16 -1.589 0.688 -6.950 122 HG21 VAL 16 3HG2 VAL 16 -3.523 1.912 -7.554 123 HG22 VAL 16 1HG2 VAL 16 -4.237 1.790 -9.154 124 HG23 VAL 16 2HG2 VAL 16 -2.704 2.644 -8.937 125 H GLU 17 H GLU 17 -2.191 2.608 -11.108 126 HA GLU 17 HA GLU 17 0.659 2.509 -11.580 127 HB2 GLU 17 2HB GLU 17 -0.305 1.677 -13.582 128 HB3 GLU 17 1HB GLU 17 -1.436 3.011 -13.648 129 HG2 GLU 17 2HG GLU 17 0.350 4.543 -14.039 130 HG3 GLU 17 1HG GLU 17 1.533 3.239 -13.881 131 H ILE 18 H ILE 18 1.289 4.108 -10.491 132 HA ILE 18 HA ILE 18 -0.325 6.524 -10.457 133 HB ILE 18 HB ILE 18 1.767 5.523 -8.532 134 HG12 ILE 18 2HG1 ILE 18 0.013 6.289 -6.846 135 HG13 ILE 18 1HG1 ILE 18 -1.041 6.552 -8.226 136 HG21 ILE 18 1HG2 ILE 18 2.459 7.752 -9.022 137 HG22 ILE 18 2HG2 ILE 18 1.731 7.715 -7.405 138 HG23 ILE 18 3HG2 ILE 18 0.839 8.360 -8.766 139 HD11 ILE 18 3HD1 ILE 18 -0.943 4.172 -8.742 140 HD12 ILE 18 1HD1 ILE 18 -1.513 4.472 -7.092 141 HD13 ILE 18 2HD1 ILE 18 0.139 3.952 -7.353 142 H HIS 19 H HIS 19 0.210 8.191 -11.498 143 HA HIS 19 HA HIS 19 2.741 8.292 -12.911 144 HB2 HIS 19 2HB HIS 19 0.253 9.991 -13.052 145 HB3 HIS 19 1HB HIS 19 1.673 10.236 -14.074 146 HD1 HIS 19 1HD HIS 19 -0.958 9.787 -15.480 147 HD2 HIS 19 2HD HIS 19 1.477 6.666 -14.232 148 HE1 HIS 19 1HE HIS 19 -1.545 7.824 -16.936 149 H LYS 20 H LYS 20 4.217 9.877 -12.554 150 HA LYS 20 HA LYS 20 4.885 11.056 -10.269 151 HB2 LYS 20 2HB LYS 20 6.010 12.857 -11.663 152 HB3 LYS 20 1HB LYS 20 6.310 11.204 -12.170 153 HG2 LYS 20 2HG LYS 20 4.780 11.435 -14.000 154 HG3 LYS 20 1HG LYS 20 4.253 13.009 -13.417 155 HD2 LYS 20 2HD LYS 20 6.522 13.891 -13.805 156 HD3 LYS 20 1HD LYS 20 7.020 12.314 -14.410 157 HE2 LYS 20 2HE LYS 20 6.496 13.841 -16.253 158 HE3 LYS 20 1HE LYS 20 5.395 12.469 -16.224 159 HZ1 LYS 20 3HZ LYS 20 4.777 15.220 -15.233 160 HZ2 LYS 20 1HZ LYS 20 3.731 13.913 -15.141 161 HZ3 LYS 20 2HZ LYS 20 4.170 14.510 -16.624 162 H LEU 21 H LEU 21 3.813 12.211 -8.812 163 HA LEU 21 HA LEU 21 2.196 14.494 -9.704 164 HB2 LEU 21 2HB LEU 21 0.796 12.892 -8.629 165 HB3 LEU 21 1HB LEU 21 1.932 12.706 -7.304 166 HG LEU 21 HG LEU 21 1.485 15.137 -6.753 167 HD11 LEU 21 1HD1 LEU 21 -0.800 14.764 -8.659 168 HD12 LEU 21 2HD1 LEU 21 0.557 15.878 -8.827 169 HD13 LEU 21 3HD1 LEU 21 -0.619 16.113 -7.538 170 HD21 LEU 21 3HD2 LEU 21 -0.572 14.681 -5.533 171 HD22 LEU 21 1HD2 LEU 21 0.530 13.309 -5.441 172 HD23 LEU 21 2HD2 LEU 21 -0.863 13.260 -6.530 173 H ARG 22 H ARG 22 3.054 16.410 -9.139 174 HA ARG 22 HA ARG 22 5.130 16.419 -7.132 175 HB2 ARG 22 2HB ARG 22 4.154 18.549 -9.016 176 HB3 ARG 22 1HB ARG 22 5.327 18.856 -7.745 177 HG2 ARG 22 2HG ARG 22 6.809 17.181 -8.738 178 HG3 ARG 22 1HG ARG 22 5.644 16.946 -10.041 179 HD2 ARG 22 2HD ARG 22 5.882 19.243 -10.717 180 HD3 ARG 22 1HD ARG 22 6.941 19.560 -9.342 181 HE ARG 22 HE ARG 22 7.850 17.465 -11.073 182 HH11 ARG 22 1HH1 ARG 22 7.949 20.951 -10.438 183 HH12 ARG 22 2HH1 ARG 22 9.383 21.211 -11.304 184 HH21 ARG 22 1HH2 ARG 22 9.831 17.821 -12.261 185 HH22 ARG 22 2HH2 ARG 22 10.500 19.390 -12.336 186 H GLN 23 H GLN 23 4.827 16.992 -5.128 187 HA GLN 23 HA GLN 23 2.440 18.557 -4.544 188 HB2 GLN 23 2HB GLN 23 3.745 16.435 -2.870 189 HB3 GLN 23 1HB GLN 23 2.476 17.505 -2.271 190 HG2 GLN 23 2HG GLN 23 1.059 16.501 -4.185 191 HG3 GLN 23 1HG GLN 23 2.325 15.276 -4.273 192 HE21 GLN 23 1HE2 GLN 23 1.204 16.812 -1.320 193 HE22 GLN 23 2HE2 GLN 23 0.523 15.400 -0.619 194 H GLY 24 H GLY 24 3.206 20.495 -4.290 195 HA2 GLY 24 2HA GLY 24 4.332 22.229 -3.285 196 HA3 GLY 24 1HA GLY 24 5.053 21.060 -2.182 197 H GLU 25 H GLU 25 7.050 20.348 -2.547 198 HA GLU 25 HA GLU 25 8.394 21.243 -5.019 199 HB2 GLU 25 2HB GLU 25 9.503 21.184 -2.226 200 HB3 GLU 25 1HB GLU 25 10.441 21.546 -3.664 201 HG2 GLU 25 2HG GLU 25 9.098 23.520 -4.058 202 HG3 GLU 25 1HG GLU 25 8.109 23.135 -2.647 203 H ASN 26 H ASN 26 7.193 18.673 -3.909 204 HA ASN 26 HA ASN 26 9.596 16.954 -4.248 205 HB2 ASN 26 2HB ASN 26 7.237 15.881 -2.781 206 HB3 ASN 26 1HB ASN 26 8.947 15.541 -2.582 207 HD21 ASN 26 1HD2 ASN 26 6.353 17.474 -1.758 208 HD22 ASN 26 2HD2 ASN 26 7.058 18.368 -0.474 209 H LEU 27 H LEU 27 8.940 14.800 -4.943 210 HA LEU 27 HA LEU 27 6.552 14.879 -6.630 211 HB2 LEU 27 2HB LEU 27 8.794 14.656 -7.795 212 HB3 LEU 27 1HB LEU 27 8.948 13.114 -6.970 213 HG LEU 27 HG LEU 27 6.630 12.591 -7.933 214 HD11 LEU 27 1HD1 LEU 27 6.035 13.613 -9.963 215 HD12 LEU 27 2HD1 LEU 27 7.488 14.609 -9.959 216 HD13 LEU 27 3HD1 LEU 27 6.236 14.862 -8.740 217 HD21 LEU 27 3HD2 LEU 27 9.025 12.653 -9.731 218 HD22 LEU 27 1HD2 LEU 27 7.598 11.630 -9.925 219 HD23 LEU 27 2HD2 LEU 27 8.649 11.416 -8.515 220 H ILE 28 H ILE 28 5.055 13.591 -5.800 221 HA ILE 28 HA ILE 28 6.070 11.315 -4.324 222 HB ILE 28 HB ILE 28 3.418 12.380 -3.456 223 HG12 ILE 28 2HG1 ILE 28 6.037 13.785 -2.753 224 HG13 ILE 28 1HG1 ILE 28 4.620 14.453 -3.526 225 HG21 ILE 28 1HG2 ILE 28 4.211 11.641 -1.282 226 HG22 ILE 28 2HG2 ILE 28 5.784 11.274 -1.979 227 HG23 ILE 28 3HG2 ILE 28 4.358 10.356 -2.490 228 HD11 ILE 28 3HD1 ILE 28 4.809 15.147 -1.207 229 HD12 ILE 28 1HD1 ILE 28 4.687 13.455 -0.700 230 HD13 ILE 28 2HD1 ILE 28 3.331 14.230 -1.531 231 H LEU 29 H LEU 29 4.471 9.636 -4.254 232 HA LEU 29 HA LEU 29 3.048 9.459 -6.785 233 HB2 LEU 29 2HB LEU 29 3.881 7.447 -4.705 234 HB3 LEU 29 1HB LEU 29 2.995 7.011 -6.143 235 HG LEU 29 HG LEU 29 5.164 6.433 -6.494 236 HD11 LEU 29 1HD1 LEU 29 5.979 7.832 -8.396 237 HD12 LEU 29 2HD1 LEU 29 4.740 9.017 -7.983 238 HD13 LEU 29 3HD1 LEU 29 4.283 7.386 -8.482 239 HD21 LEU 29 3HD2 LEU 29 6.416 7.602 -4.847 240 HD22 LEU 29 1HD2 LEU 29 6.125 9.154 -5.642 241 HD23 LEU 29 2HD2 LEU 29 7.151 7.947 -6.411 242 H GLY 30 H GLY 30 2.524 10.605 -4.093 243 HA2 GLY 30 2HA GLY 30 0.461 11.653 -3.468 244 HA3 GLY 30 1HA GLY 30 -0.354 10.434 -4.407 245 H PHE 31 H PHE 31 0.502 8.134 -3.288 246 HA PHE 31 HA PHE 31 -1.069 8.203 -0.848 247 HB2 PHE 31 2HB PHE 31 -1.275 5.831 -1.082 248 HB3 PHE 31 1HB PHE 31 -1.559 6.578 -2.635 249 HD1 PHE 31 2HD PHE 31 0.207 6.486 -4.377 250 HD2 PHE 31 1HD PHE 31 0.397 4.286 -0.790 251 HE1 PHE 31 2HE PHE 31 1.857 4.997 -5.417 252 HE2 PHE 31 1HE PHE 31 2.043 2.761 -1.780 253 HZ PHE 31 HZ PHE 31 2.807 3.117 -4.114 254 H SER 32 H SER 32 -0.410 6.640 0.917 255 HA SER 32 HA SER 32 2.458 6.766 1.468 256 HB2 SER 32 2HB SER 32 0.189 7.412 3.304 257 HB3 SER 32 1HB SER 32 1.890 7.331 3.733 258 HG SER 32 HG SER 32 1.607 8.825 1.567 259 H ILE 33 H ILE 33 2.986 5.255 3.339 260 HA ILE 33 HA ILE 33 1.398 2.791 3.114 261 HB ILE 33 HB ILE 33 3.319 1.480 2.932 262 HG12 ILE 33 2HG1 ILE 33 5.022 3.904 3.708 263 HG13 ILE 33 1HG1 ILE 33 4.669 2.499 4.715 264 HG21 ILE 33 1HG2 ILE 33 3.821 4.007 1.389 265 HG22 ILE 33 2HG2 ILE 33 2.863 2.622 0.851 266 HG23 ILE 33 3HG2 ILE 33 4.610 2.485 1.072 267 HD11 ILE 33 3HD1 ILE 33 6.862 2.188 3.941 268 HD12 ILE 33 1HD1 ILE 33 6.419 2.576 2.267 269 HD13 ILE 33 2HD1 ILE 33 5.817 1.115 3.005 270 H GLY 34 H GLY 34 1.894 1.282 4.904 271 HA2 GLY 34 2HA GLY 34 2.234 2.839 7.380 272 HA3 GLY 34 1HA GLY 34 1.251 1.385 7.254 273 H GLY 35 H GLY 35 3.476 0.252 5.522 274 HA2 GLY 35 2HA GLY 35 5.851 -0.241 6.270 275 HA3 GLY 35 1HA GLY 35 5.135 -0.480 7.803 276 H GLY 36 H GLY 36 6.583 -2.433 6.609 277 HA2 GLY 36 2HA GLY 36 4.520 -4.451 6.056 278 HA3 GLY 36 1HA GLY 36 6.162 -4.528 5.440 279 H ILE 37 H ILE 37 7.462 -5.901 6.471 280 HA ILE 37 HA ILE 37 6.579 -7.298 8.800 281 HB ILE 37 HB ILE 37 8.573 -8.590 8.761 282 HG12 ILE 37 2HG1 ILE 37 10.161 -6.625 8.618 283 HG13 ILE 37 1HG1 ILE 37 10.662 -8.009 7.623 284 HG21 ILE 37 1HG2 ILE 37 7.889 -7.837 5.941 285 HG22 ILE 37 2HG2 ILE 37 7.113 -9.080 6.925 286 HG23 ILE 37 3HG2 ILE 37 8.791 -9.279 6.409 287 HD11 ILE 37 3HD1 ILE 37 9.418 -5.401 6.854 288 HD12 ILE 37 1HD1 ILE 37 9.695 -6.717 5.707 289 HD13 ILE 37 2HD1 ILE 37 11.052 -5.948 6.533 290 H ASP 38 H ASP 38 8.295 -4.459 8.402 291 HA ASP 38 HA ASP 38 9.835 -4.467 10.819 292 HB2 ASP 38 2HB ASP 38 10.358 -3.199 8.705 293 HB3 ASP 38 1HB ASP 38 9.011 -2.151 9.074 294 H GLN 39 H GLN 39 6.583 -4.098 10.146 295 HA GLN 39 HA GLN 39 6.073 -2.374 12.489 296 HB2 GLN 39 2HB GLN 39 3.909 -3.201 10.556 297 HB3 GLN 39 1HB GLN 39 4.072 -1.693 11.438 298 HG2 GLN 39 2HG GLN 39 5.622 -2.507 9.070 299 HG3 GLN 39 1HG GLN 39 4.338 -1.302 9.205 300 HE21 GLN 39 1HE2 GLN 39 7.261 -1.396 8.567 301 HE22 GLN 39 2HE2 GLN 39 7.982 -0.096 9.431 302 H ASP 40 H ASP 40 4.132 -3.134 13.825 303 HA ASP 40 HA ASP 40 4.152 -6.081 13.878 304 HB2 ASP 40 2HB ASP 40 4.582 -4.525 16.123 305 HB3 ASP 40 1HB ASP 40 2.884 -4.535 16.019 306 HA PRO 41 HA PRO 41 0.119 -5.733 12.060 307 HB2 PRO 41 2HB PRO 41 -0.604 -8.362 12.723 308 HB3 PRO 41 1HB PRO 41 0.102 -7.806 11.209 309 HG2 PRO 41 2HG PRO 41 1.410 -9.166 13.490 310 HG3 PRO 41 1HG PRO 41 1.896 -9.117 11.790 311 HD2 PRO 41 2HD PRO 41 3.180 -7.773 13.704 312 HD3 PRO 41 1HD PRO 41 3.087 -7.264 12.017 313 H SER 42 H SER 42 0.679 -6.849 15.288 314 HA SER 42 HA SER 42 -2.049 -6.970 16.104 315 HB2 SER 42 2HB SER 42 -0.133 -8.110 17.291 316 HB3 SER 42 1HB SER 42 0.367 -6.530 17.873 317 HG SER 42 HG SER 42 -1.327 -6.428 19.184 318 H GLN 43 H GLN 43 0.196 -4.348 15.756 319 HA GLN 43 HA GLN 43 -1.683 -2.561 17.161 320 HB2 GLN 43 2HB GLN 43 0.316 -1.082 17.541 321 HB3 GLN 43 1HB GLN 43 0.360 -2.604 18.415 322 HG2 GLN 43 2HG GLN 43 1.669 -3.066 16.050 323 HG3 GLN 43 1HG GLN 43 2.089 -1.402 16.429 324 HE21 GLN 43 1HE2 GLN 43 1.391 -3.996 18.678 325 HE22 GLN 43 2HE2 GLN 43 2.922 -3.985 19.469 326 H ASN 44 H ASN 44 -1.064 -3.445 14.300 327 HA ASN 44 HA ASN 44 -0.842 -0.764 13.109 328 HB2 ASN 44 2HB ASN 44 -0.048 -3.424 12.208 329 HB3 ASN 44 1HB ASN 44 -0.673 -2.351 10.961 330 HD21 ASN 44 1HD2 ASN 44 1.791 -2.717 13.373 331 HD22 ASN 44 2HD2 ASN 44 2.851 -1.508 12.755 332 HA PRO 45 HA PRO 45 -4.951 -0.359 11.935 333 HB2 PRO 45 2HB PRO 45 -4.737 1.016 9.613 334 HB3 PRO 45 1HB PRO 45 -4.370 1.734 11.188 335 HG2 PRO 45 2HG PRO 45 -2.489 0.553 9.173 336 HG3 PRO 45 1HG PRO 45 -2.364 2.107 10.036 337 HD2 PRO 45 2HD PRO 45 -1.013 -0.061 10.799 338 HD3 PRO 45 1HD PRO 45 -1.699 1.069 11.985 339 H PHE 46 H PHE 46 -3.005 -1.247 9.090 340 HA PHE 46 HA PHE 46 -5.326 -2.784 8.148 341 HB2 PHE 46 2HB PHE 46 -3.020 -1.748 6.483 342 HB3 PHE 46 1HB PHE 46 -4.525 -2.452 5.889 343 HD1 PHE 46 1HD PHE 46 -6.688 -1.225 6.314 344 HD2 PHE 46 2HD PHE 46 -2.878 0.524 7.008 345 HE1 PHE 46 1HE PHE 46 -7.716 1.011 6.353 346 HE2 PHE 46 2HE PHE 46 -3.909 2.753 7.051 347 HZ PHE 46 HZ PHE 46 -6.295 3.004 6.725 348 H SER 47 H SER 47 -2.771 -3.300 9.818 349 HA SER 47 HA SER 47 -2.027 -5.753 8.422 350 HB2 SER 47 2HB SER 47 -0.237 -4.025 9.157 351 HB3 SER 47 1HB SER 47 -0.657 -4.541 10.770 352 HG SER 47 HG SER 47 -0.010 -6.581 8.978 353 H GLU 48 H GLU 48 -3.922 -4.519 10.871 354 HA GLU 48 HA GLU 48 -3.690 -6.535 12.859 355 HB2 GLU 48 2HB GLU 48 -5.851 -5.655 13.729 356 HB3 GLU 48 1HB GLU 48 -4.677 -4.381 13.419 357 HG2 GLU 48 2HG GLU 48 -5.797 -3.740 11.419 358 HG3 GLU 48 1HG GLU 48 -6.856 -5.142 11.493 359 H ASP 49 H ASP 49 -4.887 -6.468 9.886 360 HA ASP 49 HA ASP 49 -7.136 -7.991 9.583 361 HB2 ASP 49 2HB ASP 49 -6.166 -6.882 7.748 362 HB3 ASP 49 1HB ASP 49 -4.625 -7.678 7.979 363 H LYS 50 H LYS 50 -3.774 -9.092 9.800 364 HA LYS 50 HA LYS 50 -4.458 -11.736 10.813 365 HB2 LYS 50 2HB LYS 50 -2.918 -11.365 8.200 366 HB3 LYS 50 1HB LYS 50 -3.163 -12.886 9.028 367 HG2 LYS 50 2HG LYS 50 -5.330 -11.229 7.752 368 HG3 LYS 50 1HG LYS 50 -4.554 -12.640 7.033 369 HD2 LYS 50 2HD LYS 50 -5.457 -14.074 8.712 370 HD3 LYS 50 1HD LYS 50 -6.034 -12.697 9.654 371 HE2 LYS 50 2HE LYS 50 -6.990 -13.419 6.885 372 HE3 LYS 50 1HE LYS 50 -7.830 -13.823 8.380 373 HZ1 LYS 50 3HZ LYS 50 -8.815 -11.863 7.482 374 HZ2 LYS 50 1HZ LYS 50 -7.347 -11.036 7.344 375 HZ3 LYS 50 2HZ LYS 50 -7.964 -11.420 8.844 376 H THR 51 H THR 51 -1.844 -12.791 10.490 377 HA THR 51 HA THR 51 -0.300 -10.655 11.730 378 HB THR 51 HB THR 51 1.302 -12.508 12.401 379 HG1 THR 51 1HG THR 51 -0.871 -14.221 11.675 380 HG21 THR 51 3HG2 THR 51 -0.265 -11.571 13.984 381 HG22 THR 51 1HG2 THR 51 -0.166 -13.313 14.244 382 HG23 THR 51 2HG2 THR 51 -1.548 -12.614 13.385 383 H ASP 52 H ASP 52 -0.949 -11.577 8.890 384 HA ASP 52 HA ASP 52 1.562 -11.984 7.613 385 HB2 ASP 52 2HB ASP 52 -0.507 -12.788 6.576 386 HB3 ASP 52 1HB ASP 52 -1.109 -11.142 6.473 387 H LYS 53 H LYS 53 2.932 -10.580 6.910 388 HA LYS 53 HA LYS 53 2.540 -7.765 7.571 389 HB2 LYS 53 2HB LYS 53 4.999 -9.309 6.786 390 HB3 LYS 53 1HB LYS 53 4.948 -7.659 7.382 391 HG2 LYS 53 2HG LYS 53 3.956 -9.951 9.007 392 HG3 LYS 53 1HG LYS 53 5.647 -9.553 9.074 393 HD2 LYS 53 2HD LYS 53 4.567 -7.151 9.565 394 HD3 LYS 53 1HD LYS 53 3.316 -8.229 10.205 395 HE2 LYS 53 2HE LYS 53 6.256 -8.288 10.905 396 HE3 LYS 53 1HE LYS 53 4.980 -7.718 11.958 397 HZ1 LYS 53 3HZ LYS 53 4.081 -10.064 11.916 398 HZ2 LYS 53 1HZ LYS 53 5.616 -9.922 12.580 399 HZ3 LYS 53 2HZ LYS 53 5.443 -10.509 11.036 400 H GLY 54 H GLY 54 3.654 -6.307 6.006 401 HA2 GLY 54 2HA GLY 54 4.612 -6.578 3.555 402 HA3 GLY 54 1HA GLY 54 2.899 -6.946 3.273 403 H ILE 55 H ILE 55 4.339 -4.683 2.259 404 HA ILE 55 HA ILE 55 3.670 -2.435 3.848 405 HB ILE 55 HB ILE 55 4.534 -2.617 0.941 406 HG12 ILE 55 2HG1 ILE 55 6.155 -3.409 2.658 407 HG13 ILE 55 1HG1 ILE 55 6.755 -2.061 1.714 408 HG21 ILE 55 1HG2 ILE 55 3.311 -0.541 1.329 409 HG22 ILE 55 2HG2 ILE 55 5.033 -0.203 1.111 410 HG23 ILE 55 3HG2 ILE 55 4.319 -0.217 2.726 411 HD11 ILE 55 3HD1 ILE 55 7.318 -1.842 4.014 412 HD12 ILE 55 1HD1 ILE 55 5.608 -1.950 4.451 413 HD13 ILE 55 2HD1 ILE 55 6.176 -0.580 3.520 414 H TYR 56 H TYR 56 1.785 -1.634 4.064 415 HA TYR 56 HA TYR 56 -0.145 -1.982 1.944 416 HB2 TYR 56 2HB TYR 56 -1.784 -1.519 4.001 417 HB3 TYR 56 1HB TYR 56 -1.188 -3.143 3.650 418 HD1 TYR 56 2HD TYR 56 -0.596 -0.159 5.811 419 HD2 TYR 56 1HD TYR 56 0.164 -4.255 5.114 420 HE1 TYR 56 2HE TYR 56 0.535 -0.318 8.003 421 HE2 TYR 56 1HE TYR 56 1.321 -4.451 7.193 422 HH TYR 56 HH TYR 56 1.350 -1.824 9.589 423 H VAL 57 H VAL 57 -1.507 -0.258 1.560 424 HA VAL 57 HA VAL 57 -0.286 2.311 1.980 425 HB VAL 57 HB VAL 57 -2.824 1.537 0.521 426 HG11 VAL 57 1HG1 VAL 57 -1.324 4.148 0.558 427 HG12 VAL 57 2HG1 VAL 57 -2.939 3.857 1.199 428 HG13 VAL 57 3HG1 VAL 57 -2.636 3.742 -0.536 429 HG21 VAL 57 3HG2 VAL 57 -1.300 2.160 -1.447 430 HG22 VAL 57 1HG2 VAL 57 -1.056 0.588 -0.644 431 HG23 VAL 57 2HG2 VAL 57 -0.005 1.956 -0.284 432 H THR 58 H THR 58 -0.879 3.823 3.459 433 HA THR 58 HA THR 58 -3.081 3.109 5.215 434 HB THR 58 HB THR 58 -1.889 4.924 6.608 435 HG1 THR 58 1HG THR 58 0.208 5.363 5.947 436 HG21 THR 58 3HG2 THR 58 -0.547 2.280 5.981 437 HG22 THR 58 1HG2 THR 58 -1.838 2.531 7.157 438 HG23 THR 58 2HG2 THR 58 -0.245 3.255 7.414 439 H ARG 59 H ARG 59 -1.888 5.447 2.979 440 HA ARG 59 HA ARG 59 -4.372 6.943 3.168 441 HB2 ARG 59 2HB ARG 59 -1.605 7.978 3.533 442 HB3 ARG 59 1HB ARG 59 -2.849 9.008 2.868 443 HG2 ARG 59 2HG ARG 59 -4.152 8.704 4.953 444 HG3 ARG 59 1HG ARG 59 -2.939 7.579 5.548 445 HD2 ARG 59 2HD ARG 59 -1.285 9.400 5.547 446 HD3 ARG 59 1HD ARG 59 -2.538 10.521 5.007 447 HE ARG 59 HE ARG 59 -3.692 9.581 7.161 448 HH11 ARG 59 1HH1 ARG 59 -0.352 10.708 6.763 449 HH12 ARG 59 2HH1 ARG 59 -0.106 11.041 8.404 450 HH21 ARG 59 1HH2 ARG 59 -3.376 10.102 9.441 451 HH22 ARG 59 2HH2 ARG 59 -1.873 10.706 9.952 452 H VAL 60 H VAL 60 -5.006 7.655 1.177 453 HA VAL 60 HA VAL 60 -3.122 7.181 -0.982 454 HB VAL 60 HB VAL 60 -6.086 6.436 -0.919 455 HG11 VAL 60 1HG1 VAL 60 -4.599 6.905 -3.430 456 HG12 VAL 60 2HG1 VAL 60 -5.893 7.922 -2.797 457 HG13 VAL 60 3HG1 VAL 60 -6.226 6.246 -3.242 458 HG21 VAL 60 3HG2 VAL 60 -5.238 4.442 -1.984 459 HG22 VAL 60 1HG2 VAL 60 -4.483 4.766 -0.418 460 HG23 VAL 60 2HG2 VAL 60 -3.609 5.137 -1.903 461 H SER 61 H SER 61 -3.045 8.607 -2.572 462 HA SER 61 HA SER 61 -3.068 11.272 -2.097 463 HB2 SER 61 2HB SER 61 -2.223 9.800 -4.083 464 HB3 SER 61 1HB SER 61 -3.773 10.195 -4.802 465 HG SER 61 HG SER 61 -2.955 12.509 -4.148 466 H GLU 62 H GLU 62 -4.704 12.490 -1.492 467 HA GLU 62 HA GLU 62 -7.388 11.884 -1.438 468 HB2 GLU 62 2HB GLU 62 -7.691 14.266 -0.772 469 HB3 GLU 62 1HB GLU 62 -6.407 13.410 0.079 470 HG2 GLU 62 2HG GLU 62 -4.732 14.444 -1.328 471 HG3 GLU 62 1HG GLU 62 -5.985 15.257 -2.255 472 H GLY 63 H GLY 63 -5.673 13.183 -4.036 473 HA2 GLY 63 2HA GLY 63 -7.892 13.153 -5.787 474 HA3 GLY 63 1HA GLY 63 -7.410 14.813 -5.393 475 H GLY 64 H GLY 64 -5.656 11.845 -5.761 476 HA2 GLY 64 2HA GLY 64 -3.945 13.204 -7.731 477 HA3 GLY 64 1HA GLY 64 -3.302 12.346 -6.328 478 HA PRO 65 HA PRO 65 -3.309 9.699 -10.108 479 HB2 PRO 65 2HB PRO 65 -0.907 8.555 -9.606 480 HB3 PRO 65 1HB PRO 65 -1.036 10.096 -10.436 481 HG2 PRO 65 2HG PRO 65 -0.421 9.562 -7.568 482 HG3 PRO 65 1HG PRO 65 0.295 10.750 -8.669 483 HD2 PRO 65 2HD PRO 65 -1.536 11.349 -6.829 484 HD3 PRO 65 1HD PRO 65 -1.447 12.237 -8.370 485 H ALA 66 H ALA 66 -2.584 8.963 -6.809 486 HA ALA 66 HA ALA 66 -2.665 6.169 -6.943 487 HB1 ALA 66 1HB ALA 66 -1.727 7.369 -5.054 488 HB2 ALA 66 2HB ALA 66 -2.941 6.205 -4.526 489 HB3 ALA 66 3HB ALA 66 -3.330 7.935 -4.605 490 H GLU 67 H GLU 67 -5.318 8.336 -5.795 491 HA GLU 67 HA GLU 67 -7.142 6.172 -5.916 492 HB2 GLU 67 2HB GLU 67 -8.964 7.856 -5.729 493 HB3 GLU 67 1HB GLU 67 -7.765 7.939 -4.456 494 HG2 GLU 67 2HG GLU 67 -6.907 9.928 -5.225 495 HG3 GLU 67 1HG GLU 67 -7.605 9.811 -6.825 496 H ILE 68 H ILE 68 -6.187 8.556 -8.232 497 HA ILE 68 HA ILE 68 -8.189 8.213 -10.137 498 HB ILE 68 HB ILE 68 -5.281 8.932 -10.378 499 HG12 ILE 68 2HG1 ILE 68 -6.631 10.600 -9.296 500 HG13 ILE 68 1HG1 ILE 68 -6.151 11.180 -10.882 501 HG21 ILE 68 1HG2 ILE 68 -7.251 8.972 -12.658 502 HG22 ILE 68 2HG2 ILE 68 -5.862 7.896 -12.484 503 HG23 ILE 68 3HG2 ILE 68 -5.610 9.627 -12.682 504 HD11 ILE 68 3HD1 ILE 68 -8.433 11.775 -10.427 505 HD12 ILE 68 1HD1 ILE 68 -8.856 10.093 -10.121 506 HD13 ILE 68 2HD1 ILE 68 -8.381 10.599 -11.741 507 H ALA 69 H ALA 69 -5.154 6.468 -9.750 508 HA ALA 69 HA ALA 69 -5.705 4.752 -11.945 509 HB1 ALA 69 1HB ALA 69 -3.787 3.486 -11.214 510 HB2 ALA 69 2HB ALA 69 -3.739 4.403 -9.703 511 HB3 ALA 69 3HB ALA 69 -3.420 5.206 -11.238 512 H GLY 70 H GLY 70 -6.108 4.424 -8.435 513 HA2 GLY 70 2HA GLY 70 -8.293 3.130 -8.042 514 HA3 GLY 70 1HA GLY 70 -7.474 1.872 -8.955 515 H LEU 71 H LEU 71 -5.535 3.781 -6.861 516 HA LEU 71 HA LEU 71 -4.982 1.486 -5.230 517 HB2 LEU 71 2HB LEU 71 -3.184 3.035 -5.997 518 HB3 LEU 71 1HB LEU 71 -3.950 4.327 -5.124 519 HG LEU 71 HG LEU 71 -2.980 3.716 -3.107 520 HD11 LEU 71 1HD1 LEU 71 -4.056 1.384 -3.102 521 HD12 LEU 71 2HD1 LEU 71 -2.353 1.247 -2.665 522 HD13 LEU 71 3HD1 LEU 71 -2.881 0.872 -4.294 523 HD21 LEU 71 3HD2 LEU 71 -1.266 2.351 -5.162 524 HD22 LEU 71 1HD2 LEU 71 -0.764 2.883 -3.559 525 HD23 LEU 71 2HD2 LEU 71 -1.264 4.071 -4.763 526 H GLN 72 H GLN 72 -5.880 0.999 -3.322 527 HA GLN 72 HA GLN 72 -7.586 3.053 -2.175 528 HB2 GLN 72 2HB GLN 72 -7.879 0.044 -2.073 529 HB3 GLN 72 1HB GLN 72 -8.966 1.227 -1.353 530 HG2 GLN 72 2HG GLN 72 -8.428 0.993 -4.300 531 HG3 GLN 72 1HG GLN 72 -9.788 0.243 -3.470 532 HE21 GLN 72 1HE2 GLN 72 -8.311 3.255 -4.343 533 HE22 GLN 72 2HE2 GLN 72 -9.712 4.236 -4.261 534 H ILE 73 H ILE 73 -7.603 3.170 -0.027 535 HA ILE 73 HA ILE 73 -5.210 2.618 1.386 536 HB ILE 73 HB ILE 73 -7.943 3.479 2.372 537 HG12 ILE 73 2HG1 ILE 73 -5.436 5.062 1.801 538 HG13 ILE 73 1HG1 ILE 73 -6.919 5.087 0.857 539 HG21 ILE 73 1HG2 ILE 73 -5.321 3.482 3.834 540 HG22 ILE 73 2HG2 ILE 73 -6.710 2.448 4.175 541 HG23 ILE 73 3HG2 ILE 73 -6.826 4.190 4.421 542 HD11 ILE 73 3HD1 ILE 73 -8.097 6.071 2.763 543 HD12 ILE 73 1HD1 ILE 73 -6.704 7.047 2.271 544 HD13 ILE 73 2HD1 ILE 73 -6.597 6.003 3.694 545 H GLY 74 H GLY 74 -4.691 0.877 2.658 546 HA2 GLY 74 2HA GLY 74 -5.144 -0.991 4.006 547 HA3 GLY 74 1HA GLY 74 -6.785 -1.022 3.381 548 H ASP 75 H ASP 75 -4.596 -0.599 0.869 549 HA ASP 75 HA ASP 75 -4.974 -3.324 -0.033 550 HB2 ASP 75 2HB ASP 75 -4.012 -0.783 -1.248 551 HB3 ASP 75 1HB ASP 75 -3.502 -2.283 -1.980 552 H LYS 76 H LYS 76 -3.551 -4.889 0.236 553 HA LYS 76 HA LYS 76 -0.919 -4.149 1.215 554 HB2 LYS 76 2HB LYS 76 -2.084 -6.917 0.763 555 HB3 LYS 76 1HB LYS 76 -0.461 -6.611 1.343 556 HG2 LYS 76 2HG LYS 76 -1.647 -5.370 3.286 557 HG3 LYS 76 1HG LYS 76 -3.073 -6.268 2.752 558 HD2 LYS 76 2HD LYS 76 -1.717 -8.367 2.896 559 HD3 LYS 76 1HD LYS 76 -0.415 -7.421 3.606 560 HE2 LYS 76 2HE LYS 76 -1.589 -8.469 5.398 561 HE3 LYS 76 1HE LYS 76 -2.029 -6.760 5.426 562 HZ1 LYS 76 3HZ LYS 76 -3.962 -8.313 5.686 563 HZ2 LYS 76 1HZ LYS 76 -3.593 -8.913 4.186 564 HZ3 LYS 76 2HZ LYS 76 -4.126 -7.312 4.331 565 H ILE 77 H ILE 77 0.616 -3.801 -0.086 566 HA ILE 77 HA ILE 77 0.221 -4.199 -2.884 567 HB ILE 77 HB ILE 77 2.583 -3.006 -1.416 568 HG12 ILE 77 2HG1 ILE 77 0.357 -1.389 -2.564 569 HG13 ILE 77 1HG1 ILE 77 0.125 -2.122 -0.977 570 HG21 ILE 77 1HG2 ILE 77 1.464 -2.622 -4.201 571 HG22 ILE 77 2HG2 ILE 77 2.927 -3.522 -3.802 572 HG23 ILE 77 3HG2 ILE 77 2.857 -1.782 -3.521 573 HD11 ILE 77 3HD1 ILE 77 0.878 0.113 -0.797 574 HD12 ILE 77 1HD1 ILE 77 2.314 -0.244 -1.790 575 HD13 ILE 77 2HD1 ILE 77 2.077 -1.027 -0.202 576 H MET 78 H MET 78 1.474 -5.632 -4.127 577 HA MET 78 HA MET 78 3.294 -7.428 -2.663 578 HB2 MET 78 2HB MET 78 1.527 -8.071 -5.037 579 HB3 MET 78 1HB MET 78 2.649 -9.181 -4.283 580 HG2 MET 78 2HG MET 78 0.354 -7.998 -2.741 581 HG3 MET 78 1HG MET 78 0.124 -9.384 -3.787 582 HE1 MET 78 3HE MET 78 3.131 -8.535 -1.090 583 HE2 MET 78 1HE MET 78 2.444 -9.433 0.249 584 HE3 MET 78 2HE MET 78 1.596 -8.026 -0.395 585 H GLN 79 H GLN 79 2.843 -5.246 -5.243 586 HA GLN 79 HA GLN 79 5.520 -5.806 -6.215 587 HB2 GLN 79 2HB GLN 79 3.433 -6.893 -7.595 588 HB3 GLN 79 1HB GLN 79 3.485 -5.273 -8.287 589 HG2 GLN 79 2HG GLN 79 5.724 -7.286 -8.314 590 HG3 GLN 79 1HG GLN 79 4.735 -6.776 -9.677 591 HE21 GLN 79 1HE2 GLN 79 5.123 -4.690 -10.536 592 HE22 GLN 79 2HE2 GLN 79 6.628 -3.920 -10.054 593 H VAL 80 H VAL 80 6.527 -3.910 -6.838 594 HA VAL 80 HA VAL 80 4.989 -1.485 -7.220 595 HB VAL 80 HB VAL 80 7.136 -1.842 -5.086 596 HG11 VAL 80 1HG1 VAL 80 7.195 0.577 -4.759 597 HG12 VAL 80 2HG1 VAL 80 6.164 0.811 -6.171 598 HG13 VAL 80 3HG1 VAL 80 7.771 0.125 -6.359 599 HG21 VAL 80 3HG2 VAL 80 4.824 -2.214 -4.435 600 HG22 VAL 80 1HG2 VAL 80 4.390 -0.589 -4.922 601 HG23 VAL 80 2HG2 VAL 80 5.525 -0.832 -3.591 602 H ASN 81 H ASN 81 5.674 -0.824 -9.118 603 HA ASN 81 HA ASN 81 6.930 -0.228 -10.889 604 HB2 ASN 81 2HB ASN 81 7.517 1.355 -8.904 605 HB3 ASN 81 1HB ASN 81 9.086 0.567 -8.974 606 HD21 ASN 81 1HD2 ASN 81 7.085 1.222 -11.843 607 HD22 ASN 81 2HD2 ASN 81 8.065 2.452 -12.451 608 H GLY 82 H GLY 82 7.110 -2.609 -11.064 609 HA2 GLY 82 2HA GLY 82 8.153 -4.609 -11.443 610 HA3 GLY 82 1HA GLY 82 9.305 -3.551 -12.237 611 H TRP 83 H TRP 83 8.974 -3.585 -8.824 612 HA TRP 83 HA TRP 83 11.732 -4.659 -8.687 613 HB2 TRP 83 2HB TRP 83 12.303 -2.887 -7.373 614 HB3 TRP 83 1HB TRP 83 10.699 -2.345 -7.877 615 HD1 TRP 83 HD TRP 83 8.853 -2.078 -6.055 616 HE1 TRP 83 1HE TRP 83 8.858 -2.153 -3.462 617 HE3 TRP 83 3HE TRP 83 13.437 -4.153 -5.285 618 HZ2 TRP 83 2HZ TRP 83 10.515 -2.960 -1.447 619 HZ3 TRP 83 3HZ TRP 83 14.175 -4.546 -2.969 620 HH2 TRP 83 HH TRP 83 12.742 -3.955 -1.077 621 H ASP 84 H ASP 84 8.650 -5.556 -7.800 622 HA ASP 84 HA ASP 84 7.645 -7.088 -6.690 623 HB2 ASP 84 2HB ASP 84 9.768 -8.473 -7.551 624 HB3 ASP 84 1HB ASP 84 10.118 -8.369 -5.810 625 H MET 85 H MET 85 6.865 -6.031 -5.060 626 HA MET 85 HA MET 85 8.666 -4.968 -3.029 627 HB2 MET 85 2HB MET 85 6.860 -3.623 -4.156 628 HB3 MET 85 1HB MET 85 5.700 -4.541 -3.216 629 HG2 MET 85 2HG MET 85 7.424 -3.748 -1.285 630 HG3 MET 85 1HG MET 85 7.500 -2.368 -2.381 631 HE1 MET 85 3HE MET 85 3.801 -4.009 -0.233 632 HE2 MET 85 1HE MET 85 5.470 -4.499 0.045 633 HE3 MET 85 2HE MET 85 4.673 -4.891 -1.474 634 H THR 86 H THR 86 6.655 -7.636 -3.457 635 HA THR 86 HA THR 86 5.486 -7.919 -0.971 636 HB THR 86 HB THR 86 4.924 -9.393 -2.871 637 HG1 THR 86 1HG THR 86 4.633 -11.254 -1.664 638 HG21 THR 86 3HG2 THR 86 7.184 -9.717 -3.733 639 HG22 THR 86 1HG2 THR 86 6.381 -11.279 -3.456 640 HG23 THR 86 2HG2 THR 86 7.568 -10.672 -2.289 641 H MET 87 H MET 87 6.119 -8.399 0.960 642 HA MET 87 HA MET 87 7.382 -8.624 2.789 643 HB2 MET 87 2HB MET 87 7.719 -10.909 1.730 644 HB3 MET 87 1HB MET 87 9.217 -10.304 1.096 645 HG2 MET 87 2HG MET 87 10.105 -9.895 3.315 646 HG3 MET 87 1HG MET 87 8.590 -10.411 4.040 647 HE1 MET 87 3HE MET 87 8.533 -14.239 3.142 648 HE2 MET 87 1HE MET 87 7.873 -12.954 2.130 649 HE3 MET 87 2HE MET 87 7.653 -12.899 3.875 650 H VAL 88 H VAL 88 8.039 -6.427 3.009 651 HA VAL 88 HA VAL 88 10.863 -5.949 2.727 652 HB VAL 88 HB VAL 88 9.967 -5.358 0.448 653 HG11 VAL 88 1HG1 VAL 88 7.739 -4.661 0.959 654 HG12 VAL 88 2HG1 VAL 88 8.606 -3.292 0.249 655 HG13 VAL 88 3HG1 VAL 88 8.347 -3.372 1.983 656 HG21 VAL 88 3HG2 VAL 88 11.003 -3.114 2.150 657 HG22 VAL 88 1HG2 VAL 88 10.909 -3.038 0.393 658 HG23 VAL 88 2HG2 VAL 88 11.934 -4.241 1.158 659 H THR 89 H THR 89 11.488 -4.085 3.899 660 HA THR 89 HA THR 89 9.849 -3.498 6.145 661 HB THR 89 HB THR 89 11.701 -1.769 6.544 662 HG1 THR 89 1HG THR 89 13.276 -3.257 4.807 663 HG21 THR 89 3HG2 THR 89 13.209 -3.404 7.452 664 HG22 THR 89 1HG2 THR 89 12.598 -4.638 6.338 665 HG23 THR 89 2HG2 THR 89 11.562 -4.020 7.609 666 H HIS 90 H HIS 90 9.249 -1.436 6.729 667 HA HIS 90 HA HIS 90 7.852 0.156 4.918 668 HB2 HIS 90 2HB HIS 90 7.553 0.185 7.370 669 HB3 HIS 90 1HB HIS 90 9.101 0.956 7.566 670 HD1 HIS 90 1HD HIS 90 5.552 1.709 7.329 671 HD2 HIS 90 2HD HIS 90 9.077 3.654 6.333 672 HE1 HIS 90 1HE HIS 90 4.911 4.045 6.917 673 H ASP 91 H ASP 91 11.082 0.503 6.274 674 HA ASP 91 HA ASP 91 11.863 2.946 5.213 675 HB2 ASP 91 2HB ASP 91 12.991 1.594 6.984 676 HB3 ASP 91 1HB ASP 91 13.610 0.559 5.715 677 H GLN 92 H GLN 92 12.400 -0.308 3.956 678 HA GLN 92 HA GLN 92 13.866 0.609 1.705 679 HB2 GLN 92 2HB GLN 92 13.055 -1.975 2.810 680 HB3 GLN 92 1HB GLN 92 13.142 -1.967 1.068 681 HG2 GLN 92 2HG GLN 92 15.256 -2.720 2.023 682 HG3 GLN 92 1HG GLN 92 15.486 -1.202 1.179 683 HE21 GLN 92 1HE2 GLN 92 14.189 -1.566 4.460 684 HE22 GLN 92 2HE2 GLN 92 15.507 -0.776 5.235 685 H ALA 93 H ALA 93 10.544 -0.164 2.271 686 HA ALA 93 HA ALA 93 9.749 -0.144 -0.456 687 HB1 ALA 93 1HB ALA 93 7.487 -0.092 0.404 688 HB2 ALA 93 2HB ALA 93 8.088 0.333 2.004 689 HB3 ALA 93 3HB ALA 93 8.489 -1.233 1.301 690 H ARG 94 H ARG 94 9.764 2.214 2.145 691 HA ARG 94 HA ARG 94 8.424 4.360 1.061 692 HB2 ARG 94 2HB ARG 94 10.697 4.092 2.944 693 HB3 ARG 94 1HB ARG 94 10.249 5.728 2.451 694 HG2 ARG 94 2HG ARG 94 8.414 3.710 3.706 695 HG3 ARG 94 1HG ARG 94 9.334 4.916 4.604 696 HD2 ARG 94 2HD ARG 94 7.444 5.555 2.390 697 HD3 ARG 94 1HD ARG 94 6.945 5.541 4.092 698 HE ARG 94 HE ARG 94 9.254 7.187 3.557 699 HH11 ARG 94 1HH1 ARG 94 5.726 7.209 3.776 700 HH12 ARG 94 2HH1 ARG 94 5.604 8.893 3.754 701 HH21 ARG 94 1HH2 ARG 94 9.081 9.518 3.564 702 HH22 ARG 94 2HH2 ARG 94 7.545 10.242 3.630 703 H LYS 95 H LYS 95 11.708 3.417 0.594 704 HA LYS 95 HA LYS 95 12.284 5.710 -1.049 705 HB2 LYS 95 2HB LYS 95 13.986 3.388 -0.178 706 HB3 LYS 95 1HB LYS 95 14.574 4.691 -1.199 707 HG2 LYS 95 2HG LYS 95 13.540 4.974 1.625 708 HG3 LYS 95 1HG LYS 95 15.230 5.016 1.123 709 HD2 LYS 95 2HD LYS 95 13.109 7.011 0.275 710 HD3 LYS 95 1HD LYS 95 14.305 7.266 1.533 711 HE2 LYS 95 2HE LYS 95 14.942 6.750 -1.380 712 HE3 LYS 95 1HE LYS 95 14.936 8.328 -0.606 713 HZ1 LYS 95 3HZ LYS 95 16.716 7.598 0.844 714 HZ2 LYS 95 1HZ LYS 95 17.179 7.392 -0.754 715 HZ3 LYS 95 2HZ LYS 95 16.713 6.073 0.169 716 H ARG 96 H ARG 96 10.338 3.734 -1.857 717 HA ARG 96 HA ARG 96 11.365 3.542 -4.549 718 HB2 ARG 96 2HB ARG 96 11.670 1.246 -3.576 719 HB3 ARG 96 1HB ARG 96 9.927 1.169 -3.331 720 HG2 ARG 96 2HG ARG 96 10.411 0.008 -5.360 721 HG3 ARG 96 1HG ARG 96 9.643 1.541 -5.793 722 HD2 ARG 96 2HD ARG 96 12.094 2.424 -5.980 723 HD3 ARG 96 1HD ARG 96 12.508 0.719 -6.047 724 HE ARG 96 HE ARG 96 10.735 2.057 -7.955 725 HH11 ARG 96 1HH1 ARG 96 13.217 -0.416 -7.283 726 HH12 ARG 96 2HH1 ARG 96 13.478 -0.748 -8.933 727 HH21 ARG 96 1HH2 ARG 96 11.214 1.619 -10.222 728 HH22 ARG 96 2HH2 ARG 96 12.356 0.417 -10.603 729 H LEU 97 H LEU 97 8.574 3.249 -2.412 730 HA LEU 97 HA LEU 97 6.857 3.929 -4.653 731 HB2 LEU 97 2HB LEU 97 5.040 3.575 -2.928 732 HB3 LEU 97 1HB LEU 97 5.950 2.184 -3.493 733 HG LEU 97 HG LEU 97 7.350 2.411 -1.424 734 HD11 LEU 97 1HD1 LEU 97 5.163 4.261 -0.532 735 HD12 LEU 97 2HD1 LEU 97 6.845 4.691 -0.828 736 HD13 LEU 97 3HD1 LEU 97 6.439 3.583 0.479 737 HD21 LEU 97 3HD2 LEU 97 5.813 1.333 -0.056 738 HD22 LEU 97 1HD2 LEU 97 5.653 0.758 -1.723 739 HD23 LEU 97 2HD2 LEU 97 4.459 1.912 -1.046 740 H THR 98 H THR 98 8.204 5.549 -1.969 741 HA THR 98 HA THR 98 6.643 7.901 -2.879 742 HB THR 98 HB THR 98 5.940 7.301 -0.562 743 HG1 THR 98 1HG THR 98 7.290 9.689 -1.075 744 HG21 THR 98 3HG2 THR 98 7.472 7.624 1.299 745 HG22 THR 98 1HG2 THR 98 8.778 7.960 0.161 746 HG23 THR 98 2HG2 THR 98 8.046 6.359 0.204 747 H LYS 99 H LYS 99 9.424 6.660 -3.356 748 HA LYS 99 HA LYS 99 11.224 8.851 -2.924 749 HB2 LYS 99 2HB LYS 99 12.707 7.751 -4.509 750 HB3 LYS 99 1HB LYS 99 11.988 6.538 -3.454 751 HG2 LYS 99 2HG LYS 99 10.786 5.583 -5.102 752 HG3 LYS 99 1HG LYS 99 10.632 7.080 -6.030 753 HD2 LYS 99 2HD LYS 99 12.088 5.542 -7.227 754 HD3 LYS 99 1HD LYS 99 12.998 6.925 -6.619 755 HE2 LYS 99 2HE LYS 99 13.782 5.561 -4.738 756 HE3 LYS 99 1HE LYS 99 12.899 4.193 -5.366 757 HZ1 LYS 99 3HZ LYS 99 15.131 3.935 -6.069 758 HZ2 LYS 99 1HZ LYS 99 15.224 5.526 -6.637 759 HZ3 LYS 99 2HZ LYS 99 14.246 4.412 -7.433 760 H ARG 100 H ARG 100 12.273 9.789 -5.128 761 HA ARG 100 HA ARG 100 10.019 10.752 -6.747 762 HB2 ARG 100 2HB ARG 100 10.981 13.025 -6.669 763 HB3 ARG 100 1HB ARG 100 10.387 12.448 -5.116 764 HG2 ARG 100 2HG ARG 100 12.630 11.963 -4.419 765 HG3 ARG 100 1HG ARG 100 13.255 12.430 -5.994 766 HD2 ARG 100 2HD ARG 100 11.916 14.180 -3.900 767 HD3 ARG 100 1HD ARG 100 13.585 14.272 -4.440 768 HE ARG 100 HE ARG 100 12.204 14.730 -6.707 769 HH11 ARG 100 1HH1 ARG 100 12.217 16.256 -3.532 770 HH12 ARG 100 2HH1 ARG 100 11.570 17.743 -4.084 771 HH21 ARG 100 1HH2 ARG 100 11.355 16.742 -7.461 772 HH22 ARG 100 2HH2 ARG 100 11.056 18.027 -6.386 773 H SER 101 H SER 101 12.746 9.136 -6.836 774 HA SER 101 HA SER 101 14.121 10.358 -9.005 775 HB2 SER 101 2HB SER 101 14.148 7.551 -7.959 776 HB3 SER 101 1HB SER 101 15.397 8.262 -8.997 777 HG SER 101 HG SER 101 16.123 9.371 -7.363 778 H GLU 102 H GLU 102 11.744 7.795 -8.627 779 HA GLU 102 HA GLU 102 11.550 7.522 -11.521 780 HB2 GLU 102 2HB GLU 102 10.598 5.735 -9.278 781 HB3 GLU 102 1HB GLU 102 9.994 5.564 -10.917 782 HG2 GLU 102 2HG GLU 102 11.695 3.937 -10.634 783 HG3 GLU 102 1HG GLU 102 12.361 5.194 -11.657 784 H GLU 103 H GLU 103 9.791 7.932 -12.589 785 HA GLU 103 HA GLU 103 7.990 9.752 -11.288 786 HB2 GLU 103 2HB GLU 103 7.165 10.150 -13.709 787 HB3 GLU 103 1HB GLU 103 8.743 10.735 -13.219 788 HG2 GLU 103 2HG GLU 103 8.371 8.138 -14.664 789 HG3 GLU 103 1HG GLU 103 8.526 9.668 -15.531 790 H VAL 104 H VAL 104 7.425 7.122 -13.562 791 HA VAL 104 HA VAL 104 4.726 6.852 -12.469 792 HB VAL 104 HB VAL 104 5.859 5.436 -14.883 793 HG11 VAL 104 1HG1 VAL 104 3.077 5.716 -13.865 794 HG12 VAL 104 2HG1 VAL 104 4.022 4.243 -14.064 795 HG13 VAL 104 3HG1 VAL 104 3.482 5.145 -15.483 796 HG21 VAL 104 3HG2 VAL 104 4.698 7.047 -16.243 797 HG22 VAL 104 1HG2 VAL 104 5.931 7.805 -15.235 798 HG23 VAL 104 2HG2 VAL 104 4.223 7.950 -14.787 799 H VAL 105 H VAL 105 4.337 5.374 -11.076 800 HA VAL 105 HA VAL 105 6.047 3.005 -11.028 801 HB VAL 105 HB VAL 105 5.474 2.712 -8.648 802 HG11 VAL 105 1HG1 VAL 105 7.539 3.875 -9.195 803 HG12 VAL 105 2HG1 VAL 105 6.830 4.554 -7.729 804 HG13 VAL 105 3HG1 VAL 105 6.679 5.412 -9.260 805 HG21 VAL 105 3HG2 VAL 105 4.356 4.491 -7.385 806 HG22 VAL 105 1HG2 VAL 105 3.340 3.862 -8.686 807 HG23 VAL 105 2HG2 VAL 105 4.153 5.412 -8.885 808 H ARG 106 H ARG 106 5.052 1.047 -10.768 809 HA ARG 106 HA ARG 106 2.154 1.006 -11.194 810 HB2 ARG 106 2HB ARG 106 4.250 -0.666 -12.580 811 HB3 ARG 106 1HB ARG 106 2.520 -0.939 -12.708 812 HG2 ARG 106 2HG ARG 106 2.195 1.210 -13.726 813 HG3 ARG 106 1HG ARG 106 3.900 1.606 -13.506 814 HD2 ARG 106 2HD ARG 106 4.486 -0.251 -15.000 815 HD3 ARG 106 1HD ARG 106 2.768 -0.586 -15.203 816 HE ARG 106 HE ARG 106 2.512 1.557 -16.211 817 HH11 ARG 106 1HH1 ARG 106 5.888 0.567 -15.788 818 HH12 ARG 106 2HH1 ARG 106 6.449 1.346 -17.187 819 HH21 ARG 106 1HH2 ARG 106 3.289 2.641 -18.172 820 HH22 ARG 106 2HH2 ARG 106 4.947 2.536 -18.566 821 H LEU 107 H LEU 107 1.221 -0.076 -9.560 822 HA LEU 107 HA LEU 107 3.015 -1.851 -8.119 823 HB2 LEU 107 2HB LEU 107 0.721 -0.376 -6.859 824 HB3 LEU 107 1HB LEU 107 2.129 -1.068 -6.105 825 HG LEU 107 HG LEU 107 2.426 1.231 -5.839 826 HD11 LEU 107 1HD1 LEU 107 4.408 0.267 -6.600 827 HD12 LEU 107 2HD1 LEU 107 4.265 1.961 -7.056 828 HD13 LEU 107 3HD1 LEU 107 4.011 0.693 -8.262 829 HD21 LEU 107 3HD2 LEU 107 2.115 2.934 -7.457 830 HD22 LEU 107 1HD2 LEU 107 0.653 1.994 -7.234 831 HD23 LEU 107 2HD2 LEU 107 1.646 1.743 -8.684 832 H LEU 108 H LEU 108 1.976 -3.626 -7.245 833 HA LEU 108 HA LEU 108 -0.693 -4.110 -8.300 834 HB2 LEU 108 2HB LEU 108 1.657 -5.817 -8.392 835 HB3 LEU 108 1HB LEU 108 0.267 -6.620 -7.714 836 HG LEU 108 HG LEU 108 -0.979 -5.857 -9.774 837 HD11 LEU 108 1HD1 LEU 108 1.819 -5.337 -10.762 838 HD12 LEU 108 2HD1 LEU 108 0.546 -4.139 -10.534 839 HD13 LEU 108 3HD1 LEU 108 0.375 -5.383 -11.775 840 HD21 LEU 108 3HD2 LEU 108 1.298 -7.795 -10.122 841 HD22 LEU 108 1HD2 LEU 108 -0.126 -7.700 -11.156 842 HD23 LEU 108 2HD2 LEU 108 -0.294 -8.162 -9.460 843 H VAL 109 H VAL 109 -2.125 -4.340 -6.910 844 HA VAL 109 HA VAL 109 -1.247 -4.856 -4.171 845 HB VAL 109 HB VAL 109 -3.021 -3.517 -3.290 846 HG11 VAL 109 1HG1 VAL 109 -1.360 -1.941 -5.238 847 HG12 VAL 109 2HG1 VAL 109 -0.896 -2.470 -3.619 848 HG13 VAL 109 3HG1 VAL 109 -2.199 -1.295 -3.816 849 HG21 VAL 109 3HG2 VAL 109 -4.657 -3.701 -5.035 850 HG22 VAL 109 1HG2 VAL 109 -3.666 -2.710 -6.108 851 HG23 VAL 109 2HG2 VAL 109 -4.362 -2.014 -4.635 852 H THR 110 H THR 110 -2.640 -5.872 -2.818 853 HA THR 110 HA THR 110 -4.766 -7.363 -4.137 854 HB THR 110 HB THR 110 -4.289 -9.158 -2.568 855 HG1 THR 110 1HG THR 110 -2.078 -7.504 -1.916 856 HG21 THR 110 3HG2 THR 110 -2.355 -10.145 -3.772 857 HG22 THR 110 1HG2 THR 110 -2.034 -8.559 -4.476 858 HG23 THR 110 2HG2 THR 110 -3.539 -9.402 -4.847 859 H ARG 111 H ARG 111 -6.588 -7.293 -3.176 860 HA ARG 111 HA ARG 111 -6.481 -5.966 -0.635 861 HB2 ARG 111 2HB ARG 111 -8.934 -5.335 -0.959 862 HB3 ARG 111 1HB ARG 111 -7.637 -4.547 -1.858 863 HG2 ARG 111 2HG ARG 111 -9.118 -6.740 -3.187 864 HG3 ARG 111 1HG ARG 111 -9.913 -5.176 -3.014 865 HD2 ARG 111 2HD ARG 111 -7.261 -5.717 -4.364 866 HD3 ARG 111 1HD ARG 111 -8.770 -5.270 -5.151 867 HE ARG 111 HE ARG 111 -7.273 -3.465 -3.318 868 HH11 ARG 111 1HH1 ARG 111 -9.407 -3.831 -6.135 869 HH12 ARG 111 2HH1 ARG 111 -9.128 -2.256 -6.709 870 HH21 ARG 111 1HH2 ARG 111 -6.906 -1.323 -4.115 871 HH22 ARG 111 2HH2 ARG 111 -7.656 -0.771 -5.541 872 H GLN 112 H GLN 112 -6.338 -7.128 0.866 873 HA GLN 112 HA GLN 112 -7.452 -9.803 0.936 874 HB2 GLN 112 2HB GLN 112 -6.050 -8.360 3.178 875 HB3 GLN 112 1HB GLN 112 -6.193 -10.078 2.900 876 HG2 GLN 112 2HG GLN 112 -4.621 -8.224 1.145 877 HG3 GLN 112 1HG GLN 112 -3.919 -9.112 2.481 878 HE21 GLN 112 1HE2 GLN 112 -5.050 -9.192 -0.688 879 HE22 GLN 112 2HE2 GLN 112 -4.566 -10.811 -1.064 880 H SER 113 H SER 113 -7.652 -6.789 2.784 881 HA SER 113 HA SER 113 -9.629 -7.856 4.580 882 HB2 SER 113 2HB SER 113 -8.477 -5.077 4.476 883 HB3 SER 113 1HB SER 113 -9.197 -5.896 5.866 884 HG SER 113 HG SER 113 -7.499 -7.421 5.732 885 H LEU 114 H LEU 114 -10.145 -7.130 1.724 886 HA LEU 114 HA LEU 114 -12.369 -5.270 2.194 887 HB2 LEU 114 2HB LEU 114 -10.640 -4.504 0.529 888 HB3 LEU 114 1HB LEU 114 -11.069 -5.874 -0.469 889 HG LEU 114 HG LEU 114 -13.379 -4.963 -0.658 890 HD11 LEU 114 1HD1 LEU 114 -13.762 -2.622 -0.056 891 HD12 LEU 114 2HD1 LEU 114 -12.191 -2.580 0.750 892 HD13 LEU 114 3HD1 LEU 114 -13.467 -3.638 1.352 893 HD21 LEU 114 3HD2 LEU 114 -11.793 -4.563 -2.438 894 HD22 LEU 114 1HD2 LEU 114 -11.138 -3.162 -1.581 895 HD23 LEU 114 2HD2 LEU 114 -12.787 -3.129 -2.195 896 H GLN 115 H GLN 115 -13.714 -6.825 2.894 897 HA GLN 115 HA GLN 115 -14.350 -9.102 1.155 898 HB2 GLN 115 2HB GLN 115 -15.373 -8.420 3.914 899 HB3 GLN 115 1HB GLN 115 -15.684 -9.906 3.040 900 HG2 GLN 115 2HG GLN 115 -13.325 -10.488 3.152 901 HG3 GLN 115 1HG GLN 115 -12.989 -8.972 3.993 902 HE21 GLN 115 1HE2 GLN 115 -12.582 -11.713 4.880 903 HE22 GLN 115 2HE2 GLN 115 -13.494 -11.882 6.341 904 H LYS 116 H LYS 116 -15.722 -6.256 2.631 905 HA LYS 116 HA LYS 116 -17.615 -5.140 2.511 906 HB2 LYS 116 2HB LYS 116 -17.456 -5.915 -0.397 907 HB3 LYS 116 1HB LYS 116 -18.624 -4.774 0.254 908 HG2 LYS 116 2HG LYS 116 -16.740 -3.369 1.041 909 HG3 LYS 116 1HG LYS 116 -15.626 -4.491 0.263 910 HD2 LYS 116 2HD LYS 116 -16.008 -2.580 -1.188 911 HD3 LYS 116 1HD LYS 116 -16.705 -4.028 -1.906 912 HE2 LYS 116 2HE LYS 116 -18.204 -2.106 -2.155 913 HE3 LYS 116 1HE LYS 116 -18.945 -3.343 -1.153 914 HZ1 LYS 116 3HZ LYS 116 -18.280 -2.002 0.818 915 HZ2 LYS 116 1HZ LYS 116 -19.309 -1.172 -0.218 916 HZ3 LYS 116 2HZ LYS 116 -17.661 -0.831 -0.204 917 H ALA 117 H ALA 117 -18.645 -6.525 3.918 918 HA ALA 117 HA ALA 117 -20.586 -8.335 2.753 919 HB1 ALA 117 1HB ALA 117 -19.442 -9.013 4.823 920 HB2 ALA 117 2HB ALA 117 -21.176 -8.836 5.092 921 HB3 ALA 117 3HB ALA 117 -20.067 -7.581 5.641 922 H VAL 118 H VAL 118 -20.605 -5.604 5.007 923 HA VAL 118 HA VAL 118 -22.108 -4.066 5.545 924 HB VAL 118 HB VAL 118 -22.575 -3.871 2.549 925 HG11 VAL 118 1HG1 VAL 118 -23.054 -1.497 2.993 926 HG12 VAL 118 2HG1 VAL 118 -22.859 -1.787 4.722 927 HG13 VAL 118 3HG1 VAL 118 -24.177 -2.560 3.845 928 HG21 VAL 118 3HG2 VAL 118 -20.436 -2.596 4.259 929 HG22 VAL 118 1HG2 VAL 118 -20.746 -2.200 2.568 930 HG23 VAL 118 2HG2 VAL 118 -20.198 -3.815 3.011 931 H GLN 119 H GLN 119 -23.255 -5.824 6.467 932 HA GLN 119 HA GLN 119 -25.897 -6.204 5.258 933 HB2 GLN 119 2HB GLN 119 -24.542 -7.713 7.487 934 HB3 GLN 119 1HB GLN 119 -26.191 -8.006 6.946 935 HG2 GLN 119 2HG GLN 119 -25.307 -8.560 4.702 936 HG3 GLN 119 1HG GLN 119 -23.674 -8.378 5.343 937 HE21 GLN 119 1HE2 GLN 119 -26.577 -10.236 5.429 938 HE22 GLN 119 2HE2 GLN 119 -25.915 -11.646 6.172 939 H GLN 120 H GLN 120 -24.225 -4.575 7.626 940 HA GLN 120 HA GLN 120 -26.730 -3.470 8.610 941 HB2 GLN 120 2HB GLN 120 -25.642 -4.910 10.367 942 HB3 GLN 120 1HB GLN 120 -24.206 -3.913 10.240 943 HG2 GLN 120 2HG GLN 120 -25.537 -3.337 12.201 944 HG3 GLN 120 1HG GLN 120 -25.433 -1.993 11.069 945 HE21 GLN 120 1HE2 GLN 120 -27.267 -1.072 11.966 946 HE22 GLN 120 2HE2 GLN 120 -28.855 -1.669 11.638 947 H SER 121 H SER 121 -26.605 -1.837 7.180 948 HA SER 121 HA SER 121 -24.157 -0.386 6.784 949 HB2 SER 121 2HB SER 121 -25.745 -0.944 4.921 950 HB3 SER 121 1HB SER 121 -26.921 0.139 5.661 951 HG SER 121 HG SER 121 -25.716 1.062 3.958 952 H MET 122 H MET 122 -27.295 0.062 8.414 953 HA MET 122 HA MET 122 -26.260 2.011 10.164 954 HB2 MET 122 2HB MET 122 -27.541 3.958 9.444 955 HB3 MET 122 1HB MET 122 -26.412 3.453 8.193 956 HG2 MET 122 2HG MET 122 -28.243 2.348 6.996 957 HG3 MET 122 1HG MET 122 -29.366 2.875 8.245 958 HE1 MET 122 3HE MET 122 -26.995 3.937 5.339 959 HE2 MET 122 1HE MET 122 -26.340 4.866 6.685 960 HE3 MET 122 2HE MET 122 -27.141 5.693 5.352 961 H LEU 123 H LEU 123 -28.032 2.974 11.460 962 HA LEU 123 HA LEU 123 -30.372 1.221 11.621 963 HB2 LEU 123 2HB LEU 123 -28.833 1.096 13.563 964 HB3 LEU 123 1HB LEU 123 -28.960 2.825 13.772 965 HG LEU 123 HG LEU 123 -31.344 2.572 14.373 966 HD11 LEU 123 1HD1 LEU 123 -32.256 0.354 14.830 967 HD12 LEU 123 2HD1 LEU 123 -30.790 -0.378 14.184 968 HD13 LEU 123 3HD1 LEU 123 -31.853 0.550 13.125 969 HD21 LEU 123 3HD2 LEU 123 -29.646 2.601 16.118 970 HD22 LEU 123 1HD2 LEU 123 -29.460 0.852 15.978 971 HD23 LEU 123 2HD2 LEU 123 -30.982 1.534 16.553 972 H SER 124 H SER 124 -32.340 2.436 12.418 973 HA SER 124 HA SER 124 -32.429 5.041 11.215 974 HB2 SER 124 2HB SER 124 -34.972 4.515 11.737 975 HB3 SER 124 1HB SER 124 -34.167 3.801 10.337 976 HG SER 124 HG SER 124 -34.587 1.942 11.174 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -4.838 -16.164 -14.443 2 H2 GLY 1 2HT GLY 1 -3.689 -17.408 -14.395 3 H3 GLY 1 3HT GLY 1 -4.343 -16.921 -15.881 4 HA2 GLY 1 1HA GLY 1 -3.293 -14.779 -15.640 5 HA3 GLY 1 2HA GLY 1 -2.631 -15.317 -14.100 6 H SER 2 H SER 2 -1.258 -14.518 -16.623 7 HA SER 2 HA SER 2 -0.099 -16.908 -17.649 8 HB2 SER 2 2HB SER 2 1.472 -15.085 -18.621 9 HB3 SER 2 1HB SER 2 -0.221 -15.065 -19.133 10 HG SER 2 HG SER 2 0.174 -13.011 -18.528 11 H TYR 3 H TYR 3 1.124 -14.155 -15.905 12 HA TYR 3 HA TYR 3 3.319 -15.577 -14.704 13 HB2 TYR 3 2HB TYR 3 3.730 -13.393 -13.561 14 HB3 TYR 3 1HB TYR 3 3.608 -13.213 -15.305 15 HD1 TYR 3 2HD TYR 3 1.620 -12.115 -16.298 16 HD2 TYR 3 1HD TYR 3 2.092 -12.362 -12.075 17 HE1 TYR 3 2HE TYR 3 -0.123 -10.411 -16.009 18 HE2 TYR 3 1HE TYR 3 0.340 -10.652 -11.784 19 HH TYR 3 HH TYR 3 -1.742 -9.817 -14.250 20 H ILE 4 H ILE 4 3.512 -15.668 -12.341 21 HA ILE 4 HA ILE 4 0.912 -16.086 -11.093 22 HB ILE 4 HB ILE 4 3.652 -17.068 -10.198 23 HG12 ILE 4 2HG1 ILE 4 1.313 -18.588 -11.388 24 HG13 ILE 4 1HG1 ILE 4 2.817 -18.212 -12.219 25 HG21 ILE 4 1HG2 ILE 4 0.910 -17.644 -9.047 26 HG22 ILE 4 2HG2 ILE 4 2.164 -16.664 -8.288 27 HG23 ILE 4 3HG2 ILE 4 2.419 -18.394 -8.520 28 HD11 ILE 4 3HD1 ILE 4 2.529 -19.978 -9.800 29 HD12 ILE 4 1HD1 ILE 4 4.037 -19.628 -10.644 30 HD13 ILE 4 2HD1 ILE 4 2.752 -20.524 -11.460 31 HA PRO 5 HA PRO 5 2.018 -12.146 -9.272 32 HB2 PRO 5 2HB PRO 5 -0.380 -11.689 -8.178 33 HB3 PRO 5 1HB PRO 5 -0.055 -11.373 -9.897 34 HG2 PRO 5 2HG PRO 5 -1.497 -13.630 -8.574 35 HG3 PRO 5 1HG PRO 5 -1.831 -12.853 -10.129 36 HD2 PRO 5 2HD PRO 5 -0.567 -15.261 -9.844 37 HD3 PRO 5 1HD PRO 5 -0.347 -14.184 -11.241 38 H GLY 6 H GLY 6 1.625 -11.164 -7.082 39 HA2 GLY 6 2HA GLY 6 2.189 -13.090 -4.993 40 HA3 GLY 6 1HA GLY 6 2.239 -11.334 -4.848 41 H GLN 7 H GLN 7 -0.314 -13.387 -6.000 42 HA GLN 7 HA GLN 7 -2.298 -12.127 -4.374 43 HB2 GLN 7 2HB GLN 7 -2.881 -12.921 -6.577 44 HB3 GLN 7 1HB GLN 7 -2.358 -14.554 -6.188 45 HG2 GLN 7 2HG GLN 7 -4.226 -14.781 -4.647 46 HG3 GLN 7 1HG GLN 7 -4.710 -13.118 -4.972 47 HE21 GLN 7 1HE2 GLN 7 -6.119 -15.652 -5.379 48 HE22 GLN 7 2HE2 GLN 7 -6.577 -15.701 -7.032 49 HA PRO 8 HA PRO 8 -1.479 -14.632 -0.787 50 HB2 PRO 8 2HB PRO 8 -3.904 -14.229 0.490 51 HB3 PRO 8 1HB PRO 8 -2.531 -13.123 0.578 52 HG2 PRO 8 2HG PRO 8 -4.996 -12.958 -1.093 53 HG3 PRO 8 1HG PRO 8 -4.071 -11.659 -0.323 54 HD2 PRO 8 2HD PRO 8 -3.903 -12.209 -2.986 55 HD3 PRO 8 1HD PRO 8 -2.556 -11.553 -2.028 56 H VAL 9 H VAL 9 -4.893 -14.811 -1.491 57 HA VAL 9 HA VAL 9 -5.324 -17.101 -2.824 58 HB VAL 9 HB VAL 9 -6.322 -18.628 -0.946 59 HG11 VAL 9 1HG1 VAL 9 -4.289 -19.972 -0.721 60 HG12 VAL 9 2HG1 VAL 9 -3.365 -18.644 -1.423 61 HG13 VAL 9 3HG1 VAL 9 -4.606 -19.452 -2.376 62 HG21 VAL 9 3HG2 VAL 9 -4.198 -17.232 0.691 63 HG22 VAL 9 1HG2 VAL 9 -5.051 -18.699 1.184 64 HG23 VAL 9 2HG2 VAL 9 -5.932 -17.182 0.965 65 H THR 10 H THR 10 -6.385 -15.475 0.081 66 HA THR 10 HA THR 10 -9.152 -15.948 -0.411 67 HB THR 10 HB THR 10 -8.020 -15.829 1.836 68 HG1 THR 10 1HG THR 10 -10.299 -14.154 1.387 69 HG21 THR 10 3HG2 THR 10 -7.755 -13.581 2.869 70 HG22 THR 10 1HG2 THR 10 -8.047 -12.861 1.290 71 HG23 THR 10 2HG2 THR 10 -6.624 -13.872 1.546 72 H ALA 11 H ALA 11 -6.909 -13.495 -1.264 73 HA ALA 11 HA ALA 11 -9.112 -11.728 -2.040 74 HB1 ALA 11 1HB ALA 11 -7.835 -10.796 -0.200 75 HB2 ALA 11 2HB ALA 11 -7.591 -9.860 -1.684 76 HB3 ALA 11 3HB ALA 11 -6.355 -10.992 -1.135 77 H VAL 12 H VAL 12 -8.466 -10.265 -3.819 78 HA VAL 12 HA VAL 12 -7.024 -11.813 -5.850 79 HB VAL 12 HB VAL 12 -9.470 -11.291 -6.201 80 HG11 VAL 12 1HG1 VAL 12 -8.557 -8.439 -6.404 81 HG12 VAL 12 2HG1 VAL 12 -9.632 -9.132 -5.188 82 HG13 VAL 12 3HG1 VAL 12 -10.151 -9.033 -6.872 83 HG21 VAL 12 3HG2 VAL 12 -7.593 -10.106 -8.245 84 HG22 VAL 12 1HG2 VAL 12 -9.276 -10.540 -8.546 85 HG23 VAL 12 2HG2 VAL 12 -8.107 -11.792 -8.134 86 H VAL 13 H VAL 13 -5.705 -10.496 -7.381 87 HA VAL 13 HA VAL 13 -4.640 -8.108 -6.056 88 HB VAL 13 HB VAL 13 -3.050 -10.058 -6.218 89 HG11 VAL 13 1HG1 VAL 13 -2.008 -10.544 -8.388 90 HG12 VAL 13 2HG1 VAL 13 -3.335 -9.664 -9.159 91 HG13 VAL 13 3HG1 VAL 13 -3.661 -11.101 -8.188 92 HG21 VAL 13 3HG2 VAL 13 -1.122 -8.797 -7.061 93 HG22 VAL 13 1HG2 VAL 13 -2.161 -7.828 -6.017 94 HG23 VAL 13 2HG2 VAL 13 -2.226 -7.611 -7.767 95 H GLN 14 H GLN 14 -4.204 -6.292 -7.358 96 HA GLN 14 HA GLN 14 -5.019 -6.427 -10.142 97 HB2 GLN 14 2HB GLN 14 -6.533 -4.526 -9.957 98 HB3 GLN 14 1HB GLN 14 -7.067 -5.824 -8.911 99 HG2 GLN 14 2HG GLN 14 -7.343 -4.135 -7.405 100 HG3 GLN 14 1HG GLN 14 -5.623 -4.359 -7.172 101 HE21 GLN 14 1HE2 GLN 14 -4.221 -2.867 -7.912 102 HE22 GLN 14 2HE2 GLN 14 -4.674 -1.279 -8.404 103 H ARG 15 H ARG 15 -4.203 -4.619 -11.414 104 HA ARG 15 HA ARG 15 -1.747 -3.650 -10.191 105 HB2 ARG 15 2HB ARG 15 -0.850 -3.339 -12.370 106 HB3 ARG 15 1HB ARG 15 -1.626 -4.901 -12.345 107 HG2 ARG 15 2HG ARG 15 -2.221 -4.100 -14.432 108 HG3 ARG 15 1HG ARG 15 -3.606 -3.653 -13.460 109 HD2 ARG 15 2HD ARG 15 -3.000 -1.374 -13.375 110 HD3 ARG 15 1HD ARG 15 -1.342 -1.707 -13.853 111 HE ARG 15 HE ARG 15 -2.731 -2.516 -15.982 112 HH11 ARG 15 1HH1 ARG 15 -3.170 0.547 -14.227 113 HH12 ARG 15 2HH1 ARG 15 -3.169 1.513 -15.629 114 HH21 ARG 15 1HH2 ARG 15 -2.789 -1.202 -17.886 115 HH22 ARG 15 2HH2 ARG 15 -2.960 0.488 -17.801 116 H VAL 16 H VAL 16 -1.119 -1.565 -10.258 117 HA VAL 16 HA VAL 16 -3.125 0.414 -11.020 118 HB VAL 16 HB VAL 16 -3.046 -0.226 -8.560 119 HG11 VAL 16 1HG1 VAL 16 -0.863 -0.476 -8.120 120 HG12 VAL 16 2HG1 VAL 16 -1.441 0.875 -7.130 121 HG13 VAL 16 3HG1 VAL 16 -0.484 1.175 -8.594 122 HG21 VAL 16 3HG2 VAL 16 -3.463 2.013 -7.772 123 HG22 VAL 16 1HG2 VAL 16 -4.185 1.767 -9.353 124 HG23 VAL 16 2HG2 VAL 16 -2.674 2.678 -9.206 125 H GLU 17 H GLU 17 -2.090 2.607 -11.293 126 HA GLU 17 HA GLU 17 0.763 2.530 -11.698 127 HB2 GLU 17 2HB GLU 17 -0.065 1.716 -13.821 128 HB3 GLU 17 1HB GLU 17 -1.199 3.054 -13.915 129 HG2 GLU 17 2HG GLU 17 0.585 4.632 -14.174 130 HG3 GLU 17 1HG GLU 17 1.773 3.367 -13.857 131 H ILE 18 H ILE 18 1.348 4.133 -10.541 132 HA ILE 18 HA ILE 18 -0.224 6.588 -10.522 133 HB ILE 18 HB ILE 18 1.915 5.510 -8.693 134 HG12 ILE 18 2HG1 ILE 18 0.237 6.356 -6.929 135 HG13 ILE 18 1HG1 ILE 18 -0.851 6.576 -8.291 136 HG21 ILE 18 1HG2 ILE 18 1.105 8.397 -8.818 137 HG22 ILE 18 2HG2 ILE 18 2.690 7.716 -9.162 138 HG23 ILE 18 3HG2 ILE 18 2.039 7.654 -7.525 139 HD11 ILE 18 3HD1 ILE 18 -0.846 4.214 -8.729 140 HD12 ILE 18 1HD1 ILE 18 -1.257 4.537 -7.039 141 HD13 ILE 18 2HD1 ILE 18 0.355 3.973 -7.439 142 H HIS 19 H HIS 19 0.300 8.251 -11.591 143 HA HIS 19 HA HIS 19 2.900 8.391 -12.923 144 HB2 HIS 19 2HB HIS 19 0.411 10.057 -13.154 145 HB3 HIS 19 1HB HIS 19 1.844 10.333 -14.146 146 HD1 HIS 19 1HD HIS 19 -0.683 9.942 -15.699 147 HD2 HIS 19 2HD HIS 19 1.549 6.735 -14.324 148 HE1 HIS 19 1HE HIS 19 -1.314 7.995 -17.153 149 H LYS 20 H LYS 20 4.221 10.240 -12.628 150 HA LYS 20 HA LYS 20 4.760 11.197 -10.129 151 HB2 LYS 20 2HB LYS 20 6.023 13.005 -11.054 152 HB3 LYS 20 1HB LYS 20 6.196 11.633 -12.118 153 HG2 LYS 20 2HG LYS 20 4.626 12.614 -13.694 154 HG3 LYS 20 1HG LYS 20 4.320 13.955 -12.595 155 HD2 LYS 20 2HD LYS 20 5.819 14.848 -14.148 156 HD3 LYS 20 1HD LYS 20 6.845 14.418 -12.789 157 HE2 LYS 20 2HE LYS 20 7.935 13.743 -14.804 158 HE3 LYS 20 1HE LYS 20 7.397 12.296 -13.960 159 HZ1 LYS 20 3HZ LYS 20 5.395 12.341 -15.486 160 HZ2 LYS 20 1HZ LYS 20 6.882 12.038 -16.243 161 HZ3 LYS 20 2HZ LYS 20 6.193 13.555 -16.350 162 H LEU 21 H LEU 21 3.877 12.443 -8.620 163 HA LEU 21 HA LEU 21 2.020 14.547 -9.459 164 HB2 LEU 21 2HB LEU 21 0.798 12.870 -8.307 165 HB3 LEU 21 1HB LEU 21 1.973 12.825 -7.002 166 HG LEU 21 HG LEU 21 1.342 15.196 -6.505 167 HD11 LEU 21 1HD1 LEU 21 0.356 15.825 -8.607 168 HD12 LEU 21 2HD1 LEU 21 -0.843 15.999 -7.324 169 HD13 LEU 21 3HD1 LEU 21 -0.915 14.619 -8.414 170 HD21 LEU 21 3HD2 LEU 21 -0.680 14.628 -5.280 171 HD22 LEU 21 1HD2 LEU 21 0.494 13.320 -5.171 172 HD23 LEU 21 2HD2 LEU 21 -0.893 13.185 -6.261 173 H ARG 22 H ARG 22 2.681 16.540 -8.997 174 HA ARG 22 HA ARG 22 4.889 16.915 -7.120 175 HB2 ARG 22 2HB ARG 22 3.442 18.968 -8.826 176 HB3 ARG 22 1HB ARG 22 4.746 19.341 -7.727 177 HG2 ARG 22 2HG ARG 22 5.678 19.349 -9.873 178 HG3 ARG 22 1HG ARG 22 6.192 17.826 -9.152 179 HD2 ARG 22 2HD ARG 22 4.527 16.628 -10.384 180 HD3 ARG 22 1HD ARG 22 3.826 18.135 -10.979 181 HE ARG 22 HE ARG 22 6.580 17.810 -11.655 182 HH11 ARG 22 1HH1 ARG 22 3.274 17.002 -12.640 183 HH12 ARG 22 2HH1 ARG 22 3.647 16.816 -14.284 184 HH21 ARG 22 1HH2 ARG 22 7.106 17.545 -13.926 185 HH22 ARG 22 2HH2 ARG 22 5.883 17.132 -15.037 186 H GLN 23 H GLN 23 4.402 17.154 -5.013 187 HA GLN 23 HA GLN 23 1.920 18.559 -4.358 188 HB2 GLN 23 2HB GLN 23 3.545 16.500 -2.891 189 HB3 GLN 23 1HB GLN 23 2.280 17.449 -2.128 190 HG2 GLN 23 2HG GLN 23 1.817 15.719 -4.527 191 HG3 GLN 23 1HG GLN 23 1.621 15.154 -2.867 192 HE21 GLN 23 1HE2 GLN 23 0.125 16.065 -1.629 193 HE22 GLN 23 2HE2 GLN 23 -1.301 16.838 -2.223 194 H GLY 24 H GLY 24 2.583 20.641 -4.168 195 HA2 GLY 24 2HA GLY 24 3.663 22.428 -3.258 196 HA3 GLY 24 1HA GLY 24 4.381 21.331 -2.083 197 H GLU 25 H GLU 25 6.409 20.707 -2.326 198 HA GLU 25 HA GLU 25 7.714 21.375 -4.860 199 HB2 GLU 25 2HB GLU 25 8.827 21.567 -2.083 200 HB3 GLU 25 1HB GLU 25 9.808 21.716 -3.535 201 HG2 GLU 25 2HG GLU 25 8.587 23.670 -4.205 202 HG3 GLU 25 1HG GLU 25 7.484 23.484 -2.845 203 H ASN 26 H ASN 26 6.597 18.887 -3.354 204 HA ASN 26 HA ASN 26 9.017 17.205 -3.623 205 HB2 ASN 26 2HB ASN 26 6.462 16.155 -2.483 206 HB3 ASN 26 1HB ASN 26 8.112 15.663 -2.145 207 HD21 ASN 26 1HD2 ASN 26 5.661 17.786 -1.554 208 HD22 ASN 26 2HD2 ASN 26 6.234 18.643 -0.195 209 H LEU 27 H LEU 27 8.607 15.149 -4.507 210 HA LEU 27 HA LEU 27 6.460 15.130 -6.480 211 HB2 LEU 27 2HB LEU 27 8.917 15.343 -7.281 212 HB3 LEU 27 1HB LEU 27 9.128 13.710 -6.703 213 HG LEU 27 HG LEU 27 8.830 13.838 -9.158 214 HD11 LEU 27 1HD1 LEU 27 7.144 12.095 -9.405 215 HD12 LEU 27 2HD1 LEU 27 6.569 12.408 -7.770 216 HD13 LEU 27 3HD1 LEU 27 8.195 11.776 -8.027 217 HD21 LEU 27 3HD2 LEU 27 6.768 14.500 -10.142 218 HD22 LEU 27 1HD2 LEU 27 7.328 15.792 -9.104 219 HD23 LEU 27 2HD2 LEU 27 6.015 14.739 -8.564 220 H ILE 28 H ILE 28 5.002 13.733 -5.675 221 HA ILE 28 HA ILE 28 6.052 11.425 -4.211 222 HB ILE 28 HB ILE 28 3.383 12.372 -3.351 223 HG12 ILE 28 2HG1 ILE 28 5.858 14.019 -2.631 224 HG13 ILE 28 1HG1 ILE 28 4.438 14.565 -3.479 225 HG21 ILE 28 1HG2 ILE 28 5.842 11.491 -1.870 226 HG22 ILE 28 2HG2 ILE 28 4.463 10.472 -2.309 227 HG23 ILE 28 3HG2 ILE 28 4.267 11.794 -1.148 228 HD11 ILE 28 3HD1 ILE 28 3.063 14.294 -1.536 229 HD12 ILE 28 1HD1 ILE 28 4.449 15.313 -1.165 230 HD13 ILE 28 2HD1 ILE 28 4.421 13.630 -0.622 231 H LEU 29 H LEU 29 4.463 9.678 -4.168 232 HA LEU 29 HA LEU 29 3.092 9.500 -6.706 233 HB2 LEU 29 2HB LEU 29 4.046 7.546 -4.664 234 HB3 LEU 29 1HB LEU 29 2.823 7.038 -5.802 235 HG LEU 29 HG LEU 29 4.386 7.614 -7.658 236 HD11 LEU 29 1HD1 LEU 29 6.433 7.970 -5.479 237 HD12 LEU 29 2HD1 LEU 29 5.826 9.229 -6.555 238 HD13 LEU 29 3HD1 LEU 29 6.774 7.890 -7.207 239 HD21 LEU 29 3HD2 LEU 29 4.154 5.343 -6.910 240 HD22 LEU 29 1HD2 LEU 29 5.368 5.604 -5.658 241 HD23 LEU 29 2HD2 LEU 29 5.831 5.666 -7.358 242 H GLY 30 H GLY 30 2.222 10.816 -4.009 243 HA2 GLY 30 2HA GLY 30 0.113 11.533 -3.505 244 HA3 GLY 30 1HA GLY 30 -0.542 10.234 -4.481 245 H PHE 31 H PHE 31 0.722 8.081 -3.224 246 HA PHE 31 HA PHE 31 -0.857 8.111 -0.798 247 HB2 PHE 31 2HB PHE 31 -0.950 5.723 -0.990 248 HB3 PHE 31 1HB PHE 31 -1.391 6.478 -2.497 249 HD1 PHE 31 1HD PHE 31 0.021 6.388 -4.413 250 HD2 PHE 31 2HD PHE 31 1.012 4.354 -0.859 251 HE1 PHE 31 1HE PHE 31 1.615 5.037 -5.671 252 HE2 PHE 31 2HE PHE 31 2.620 2.965 -2.080 253 HZ PHE 31 HZ PHE 31 2.957 3.307 -4.503 254 H SER 32 H SER 32 -0.063 6.516 0.921 255 HA SER 32 HA SER 32 2.807 6.740 1.425 256 HB2 SER 32 2HB SER 32 0.563 7.375 3.308 257 HB3 SER 32 1HB SER 32 2.265 7.310 3.727 258 HG SER 32 HG SER 32 1.927 8.862 1.567 259 H ILE 33 H ILE 33 3.258 5.261 3.530 260 HA ILE 33 HA ILE 33 1.654 2.818 3.202 261 HB ILE 33 HB ILE 33 3.526 1.437 3.044 262 HG12 ILE 33 2HG1 ILE 33 5.278 3.833 3.742 263 HG13 ILE 33 1HG1 ILE 33 4.934 2.420 4.745 264 HG21 ILE 33 1HG2 ILE 33 4.070 3.887 1.389 265 HG22 ILE 33 2HG2 ILE 33 3.029 2.532 0.957 266 HG23 ILE 33 3HG2 ILE 33 4.775 2.309 1.115 267 HD11 ILE 33 3HD1 ILE 33 7.085 2.102 3.926 268 HD12 ILE 33 1HD1 ILE 33 6.614 2.505 2.260 269 HD13 ILE 33 2HD1 ILE 33 6.011 1.042 3.001 270 H GLY 34 H GLY 34 2.136 1.235 4.906 271 HA2 GLY 34 2HA GLY 34 2.478 2.669 7.463 272 HA3 GLY 34 1HA GLY 34 1.491 1.220 7.262 273 H GLY 35 H GLY 35 3.514 0.058 5.515 274 HA2 GLY 35 2HA GLY 35 5.904 -0.539 5.999 275 HA3 GLY 35 1HA GLY 35 5.393 -0.680 7.630 276 H GLY 36 H GLY 36 6.633 -2.710 6.293 277 HA2 GLY 36 2HA GLY 36 4.473 -4.657 5.993 278 HA3 GLY 36 1HA GLY 36 6.021 -4.762 5.173 279 H ILE 37 H ILE 37 7.584 -5.952 6.085 280 HA ILE 37 HA ILE 37 6.808 -7.521 8.311 281 HB ILE 37 HB ILE 37 8.775 -8.826 8.070 282 HG12 ILE 37 2HG1 ILE 37 10.384 -6.926 7.919 283 HG13 ILE 37 1HG1 ILE 37 10.752 -8.203 6.744 284 HG21 ILE 37 1HG2 ILE 37 7.122 -9.156 6.379 285 HG22 ILE 37 2HG2 ILE 37 8.737 -9.420 5.700 286 HG23 ILE 37 3HG2 ILE 37 7.866 -7.917 5.363 287 HD11 ILE 37 3HD1 ILE 37 9.507 -5.499 6.341 288 HD12 ILE 37 1HD1 ILE 37 9.676 -6.694 5.060 289 HD13 ILE 37 2HD1 ILE 37 11.098 -6.006 5.842 290 H ASP 38 H ASP 38 8.773 -4.747 8.005 291 HA ASP 38 HA ASP 38 10.211 -4.898 10.429 292 HB2 ASP 38 2HB ASP 38 10.767 -3.326 8.604 293 HB3 ASP 38 1HB ASP 38 9.256 -2.485 8.865 294 H GLN 39 H GLN 39 6.894 -4.402 9.741 295 HA GLN 39 HA GLN 39 6.456 -2.901 12.207 296 HB2 GLN 39 2HB GLN 39 4.281 -3.626 10.245 297 HB3 GLN 39 1HB GLN 39 4.413 -2.182 11.226 298 HG2 GLN 39 2HG GLN 39 5.987 -2.817 8.823 299 HG3 GLN 39 1HG GLN 39 4.698 -1.632 9.007 300 HE21 GLN 39 1HE2 GLN 39 7.566 -1.603 8.331 301 HE22 GLN 39 2HE2 GLN 39 8.286 -0.392 9.314 302 H ASP 40 H ASP 40 4.035 -3.789 13.084 303 HA ASP 40 HA ASP 40 4.302 -6.712 13.355 304 HB2 ASP 40 2HB ASP 40 5.028 -5.069 15.485 305 HB3 ASP 40 1HB ASP 40 3.330 -5.145 15.619 306 HA PRO 41 HA PRO 41 0.122 -6.114 11.918 307 HB2 PRO 41 2HB PRO 41 -0.791 -8.629 12.647 308 HB3 PRO 41 1HB PRO 41 0.005 -8.222 11.123 309 HG2 PRO 41 2HG PRO 41 1.167 -9.415 13.604 310 HG3 PRO 41 1HG PRO 41 1.500 -9.819 11.910 311 HD2 PRO 41 2HD PRO 41 3.206 -8.356 13.308 312 HD3 PRO 41 1HD PRO 41 2.865 -7.959 11.613 313 H SER 42 H SER 42 0.914 -7.083 15.129 314 HA SER 42 HA SER 42 -1.672 -7.070 16.282 315 HB2 SER 42 2HB SER 42 0.877 -6.424 17.695 316 HB3 SER 42 1HB SER 42 -0.522 -7.320 18.308 317 HG SER 42 HG SER 42 1.614 -8.108 16.768 318 H GLN 43 H GLN 43 0.660 -4.570 15.513 319 HA GLN 43 HA GLN 43 -0.918 -2.587 17.025 320 HB2 GLN 43 2HB GLN 43 1.203 -1.276 17.158 321 HB3 GLN 43 1HB GLN 43 1.292 -2.805 18.006 322 HG2 GLN 43 2HG GLN 43 2.272 -3.364 15.502 323 HG3 GLN 43 1HG GLN 43 2.779 -1.700 15.749 324 HE21 GLN 43 1HE2 GLN 43 2.373 -4.177 18.164 325 HE22 GLN 43 2HE2 GLN 43 4.008 -4.247 18.682 326 H ASN 44 H ASN 44 -0.649 -3.704 14.146 327 HA ASN 44 HA ASN 44 -0.299 -1.167 12.731 328 HB2 ASN 44 2HB ASN 44 -0.190 -3.986 11.924 329 HB3 ASN 44 1HB ASN 44 -0.452 -2.758 10.692 330 HD21 ASN 44 1HD2 ASN 44 1.324 -0.811 12.256 331 HD22 ASN 44 2HD2 ASN 44 2.900 -1.408 11.971 332 HA PRO 45 HA PRO 45 -4.510 -0.401 11.997 333 HB2 PRO 45 2HB PRO 45 -4.367 1.090 9.776 334 HB3 PRO 45 1HB PRO 45 -3.716 1.653 11.323 335 HG2 PRO 45 2HG PRO 45 -2.258 0.312 9.061 336 HG3 PRO 45 1HG PRO 45 -1.843 1.841 9.888 337 HD2 PRO 45 2HD PRO 45 -0.674 -0.472 10.508 338 HD3 PRO 45 1HD PRO 45 -1.110 0.711 11.767 339 H PHE 46 H PHE 46 -2.843 -1.476 9.016 340 HA PHE 46 HA PHE 46 -5.416 -2.606 8.199 341 HB2 PHE 46 2HB PHE 46 -3.056 -1.833 6.462 342 HB3 PHE 46 1HB PHE 46 -4.620 -2.414 5.887 343 HD1 PHE 46 1HD PHE 46 -6.684 -1.047 6.450 344 HD2 PHE 46 2HD PHE 46 -2.732 0.445 6.906 345 HE1 PHE 46 1HE PHE 46 -7.562 1.240 6.525 346 HE2 PHE 46 2HE PHE 46 -3.621 2.745 6.985 347 HZ PHE 46 HZ PHE 46 -6.019 3.136 6.797 348 H SER 47 H SER 47 -3.021 -3.582 9.830 349 HA SER 47 HA SER 47 -2.767 -6.173 8.469 350 HB2 SER 47 2HB SER 47 -0.700 -4.559 8.950 351 HB3 SER 47 1HB SER 47 -0.922 -5.160 10.555 352 HG SER 47 HG SER 47 -1.014 -7.316 9.112 353 H GLU 48 H GLU 48 -4.402 -4.615 10.796 354 HA GLU 48 HA GLU 48 -4.023 -6.354 12.999 355 HB2 GLU 48 2HB GLU 48 -6.079 -5.222 13.932 356 HB3 GLU 48 1HB GLU 48 -4.754 -4.144 13.504 357 HG2 GLU 48 2HG GLU 48 -5.863 -3.483 11.489 358 HG3 GLU 48 1HG GLU 48 -7.119 -4.694 11.734 359 H ASP 49 H ASP 49 -6.039 -6.233 10.237 360 HA ASP 49 HA ASP 49 -8.082 -8.027 11.144 361 HB2 ASP 49 2HB ASP 49 -8.493 -6.328 9.401 362 HB3 ASP 49 1HB ASP 49 -7.366 -7.166 8.340 363 H LYS 50 H LYS 50 -5.302 -8.268 9.018 364 HA LYS 50 HA LYS 50 -5.214 -11.137 9.511 365 HB2 LYS 50 2HB LYS 50 -4.854 -9.749 6.864 366 HB3 LYS 50 1HB LYS 50 -4.372 -11.404 7.145 367 HG2 LYS 50 2HG LYS 50 -7.204 -10.400 7.430 368 HG3 LYS 50 1HG LYS 50 -6.562 -11.213 5.999 369 HD2 LYS 50 2HD LYS 50 -6.129 -13.220 7.272 370 HD3 LYS 50 1HD LYS 50 -6.583 -12.418 8.771 371 HE2 LYS 50 2HE LYS 50 -8.349 -13.900 7.915 372 HE3 LYS 50 1HE LYS 50 -8.863 -12.219 8.022 373 HZ1 LYS 50 3HZ LYS 50 -7.935 -13.520 5.519 374 HZ2 LYS 50 1HZ LYS 50 -8.606 -11.985 5.671 375 HZ3 LYS 50 2HZ LYS 50 -9.551 -13.349 5.950 376 H THR 51 H THR 51 -3.233 -11.872 9.873 377 HA THR 51 HA THR 51 -1.339 -9.867 10.669 378 HB THR 51 HB THR 51 -0.088 -11.881 11.610 379 HG1 THR 51 1HG THR 51 -0.774 -13.643 10.654 380 HG21 THR 51 3HG2 THR 51 -1.707 -12.190 13.449 381 HG22 THR 51 1HG2 THR 51 -2.961 -11.448 12.457 382 HG23 THR 51 2HG2 THR 51 -1.575 -10.495 12.991 383 H ASP 52 H ASP 52 -1.877 -11.070 7.860 384 HA ASP 52 HA ASP 52 0.641 -11.969 6.895 385 HB2 ASP 52 2HB ASP 52 -1.452 -12.602 5.846 386 HB3 ASP 52 1HB ASP 52 -1.817 -10.924 5.507 387 H LYS 53 H LYS 53 2.322 -10.668 6.871 388 HA LYS 53 HA LYS 53 2.136 -7.814 6.969 389 HB2 LYS 53 2HB LYS 53 4.499 -9.676 6.838 390 HB3 LYS 53 1HB LYS 53 4.634 -7.918 6.885 391 HG2 LYS 53 2HG LYS 53 3.841 -7.785 9.057 392 HG3 LYS 53 1HG LYS 53 3.111 -9.393 8.997 393 HD2 LYS 53 2HD LYS 53 5.106 -10.463 9.231 394 HD3 LYS 53 1HD LYS 53 6.087 -9.137 8.672 395 HE2 LYS 53 2HE LYS 53 5.573 -7.927 10.726 396 HE3 LYS 53 1HE LYS 53 4.581 -9.283 11.284 397 HZ1 LYS 53 3HZ LYS 53 6.527 -10.654 11.321 398 HZ2 LYS 53 1HZ LYS 53 6.788 -9.286 12.249 399 HZ3 LYS 53 2HZ LYS 53 7.514 -9.422 10.723 400 H GLY 54 H GLY 54 3.668 -6.516 5.656 401 HA2 GLY 54 2HA GLY 54 4.751 -6.677 3.305 402 HA3 GLY 54 1HA GLY 54 3.069 -6.974 2.836 403 H ILE 55 H ILE 55 4.498 -4.722 2.012 404 HA ILE 55 HA ILE 55 3.867 -2.510 3.667 405 HB ILE 55 HB ILE 55 4.772 -2.630 0.771 406 HG12 ILE 55 2HG1 ILE 55 6.367 -3.489 2.512 407 HG13 ILE 55 1HG1 ILE 55 6.976 -2.111 1.616 408 HG21 ILE 55 1HG2 ILE 55 3.568 -0.556 1.191 409 HG22 ILE 55 2HG2 ILE 55 5.299 -0.194 1.077 410 HG23 ILE 55 3HG2 ILE 55 4.498 -0.292 2.650 411 HD11 ILE 55 3HD1 ILE 55 7.500 -1.964 3.954 412 HD12 ILE 55 1HD1 ILE 55 5.775 -2.011 4.343 413 HD13 ILE 55 2HD1 ILE 55 6.436 -0.662 3.430 414 H TYR 56 H TYR 56 1.957 -1.670 3.876 415 HA TYR 56 HA TYR 56 0.180 -1.784 1.598 416 HB2 TYR 56 2HB TYR 56 -1.626 -1.512 3.516 417 HB3 TYR 56 1HB TYR 56 -1.013 -3.102 3.079 418 HD1 TYR 56 2HD TYR 56 -0.578 -0.331 5.506 419 HD2 TYR 56 1HD TYR 56 0.133 -4.382 4.539 420 HE1 TYR 56 2HE TYR 56 0.260 -0.722 7.782 421 HE2 TYR 56 1HE TYR 56 1.002 -4.807 6.704 422 HH TYR 56 HH TYR 56 1.875 -3.587 8.639 423 H VAL 57 H VAL 57 -1.305 -0.078 1.488 424 HA VAL 57 HA VAL 57 0.010 2.423 1.907 425 HB VAL 57 HB VAL 57 -2.547 1.642 0.506 426 HG11 VAL 57 1HG1 VAL 57 -2.681 3.926 1.231 427 HG12 VAL 57 2HG1 VAL 57 -2.391 3.846 -0.516 428 HG13 VAL 57 3HG1 VAL 57 -1.074 4.239 0.587 429 HG21 VAL 57 3HG2 VAL 57 -1.119 2.260 -1.490 430 HG22 VAL 57 1HG2 VAL 57 -0.732 0.742 -0.652 431 HG23 VAL 57 2HG2 VAL 57 0.233 2.187 -0.375 432 H THR 58 H THR 58 -0.521 3.885 3.414 433 HA THR 58 HA THR 58 -2.850 3.340 5.093 434 HB THR 58 HB THR 58 -1.626 4.881 6.704 435 HG1 THR 58 1HG THR 58 0.570 5.191 6.264 436 HG21 THR 58 3HG2 THR 58 -0.258 2.313 5.846 437 HG22 THR 58 1HG2 THR 58 -1.617 2.428 6.962 438 HG23 THR 58 2HG2 THR 58 -0.050 3.109 7.399 439 H ARG 59 H ARG 59 -1.540 5.551 2.818 440 HA ARG 59 HA ARG 59 -3.772 7.440 3.280 441 HB2 ARG 59 2HB ARG 59 -1.254 7.995 4.121 442 HB3 ARG 59 1HB ARG 59 -1.176 8.254 2.393 443 HG2 ARG 59 2HG ARG 59 -2.618 10.024 2.351 444 HG3 ARG 59 1HG ARG 59 -3.188 9.729 4.002 445 HD2 ARG 59 2HD ARG 59 -0.371 10.531 3.249 446 HD3 ARG 59 1HD ARG 59 -1.599 11.631 3.871 447 HE ARG 59 HE ARG 59 -1.635 10.075 5.861 448 HH11 ARG 59 1HH1 ARG 59 1.349 10.433 3.983 449 HH12 ARG 59 2HH1 ARG 59 2.383 10.330 5.317 450 HH21 ARG 59 1HH2 ARG 59 -0.209 9.894 7.704 451 HH22 ARG 59 2HH2 ARG 59 1.478 9.983 7.486 452 H VAL 60 H VAL 60 -4.508 8.178 1.281 453 HA VAL 60 HA VAL 60 -2.913 7.778 -1.092 454 HB VAL 60 HB VAL 60 -5.747 6.615 -0.863 455 HG11 VAL 60 1HG1 VAL 60 -5.826 6.272 -3.177 456 HG12 VAL 60 2HG1 VAL 60 -4.298 7.137 -3.359 457 HG13 VAL 60 3HG1 VAL 60 -5.728 7.994 -2.782 458 HG21 VAL 60 3HG2 VAL 60 -3.995 5.095 -0.310 459 HG22 VAL 60 1HG2 VAL 60 -3.198 5.423 -1.854 460 HG23 VAL 60 2HG2 VAL 60 -4.794 4.651 -1.813 461 H SER 61 H SER 61 -3.067 9.427 -2.356 462 HA SER 61 HA SER 61 -4.038 11.812 -1.602 463 HB2 SER 61 2HB SER 61 -3.051 10.547 -4.035 464 HB3 SER 61 1HB SER 61 -3.911 12.067 -4.273 465 HG SER 61 HG SER 61 -2.058 11.953 -2.203 466 H GLU 62 H GLU 62 -5.922 12.738 -1.559 467 HA GLU 62 HA GLU 62 -8.367 11.436 -2.127 468 HB2 GLU 62 2HB GLU 62 -9.431 13.551 -1.520 469 HB3 GLU 62 1HB GLU 62 -8.160 13.132 -0.381 470 HG2 GLU 62 2HG GLU 62 -6.669 14.729 -1.344 471 HG3 GLU 62 1HG GLU 62 -7.780 15.040 -2.669 472 H GLY 63 H GLY 63 -6.304 13.240 -4.101 473 HA2 GLY 63 2HA GLY 63 -8.061 12.934 -6.345 474 HA3 GLY 63 1HA GLY 63 -7.768 14.610 -5.881 475 H GLY 64 H GLY 64 -5.739 11.793 -5.794 476 HA2 GLY 64 2HA GLY 64 -3.887 13.172 -7.596 477 HA3 GLY 64 1HA GLY 64 -3.324 12.312 -6.169 478 HA PRO 65 HA PRO 65 -3.147 9.775 -10.137 479 HB2 PRO 65 2HB PRO 65 -0.723 8.669 -9.570 480 HB3 PRO 65 1HB PRO 65 -0.874 10.205 -10.406 481 HG2 PRO 65 2HG PRO 65 -0.327 9.676 -7.524 482 HG3 PRO 65 1HG PRO 65 0.390 10.884 -8.601 483 HD2 PRO 65 2HD PRO 65 -1.550 11.465 -6.819 484 HD3 PRO 65 1HD PRO 65 -1.449 12.324 -8.388 485 H ALA 66 H ALA 66 -2.474 9.019 -6.872 486 HA ALA 66 HA ALA 66 -2.434 6.245 -6.973 487 HB1 ALA 66 1HB ALA 66 -3.230 8.062 -4.715 488 HB2 ALA 66 2HB ALA 66 -1.602 7.532 -5.101 489 HB3 ALA 66 3HB ALA 66 -2.790 6.350 -4.550 490 H GLU 67 H GLU 67 -5.208 8.279 -5.853 491 HA GLU 67 HA GLU 67 -6.958 6.061 -6.111 492 HB2 GLU 67 2HB GLU 67 -8.809 7.617 -5.768 493 HB3 GLU 67 1HB GLU 67 -7.539 7.830 -4.579 494 HG2 GLU 67 2HG GLU 67 -7.053 9.927 -5.270 495 HG3 GLU 67 1HG GLU 67 -7.409 9.613 -6.951 496 H ILE 68 H ILE 68 -6.012 8.605 -8.286 497 HA ILE 68 HA ILE 68 -8.031 8.339 -10.184 498 HB ILE 68 HB ILE 68 -5.170 9.229 -10.385 499 HG12 ILE 68 2HG1 ILE 68 -6.602 10.734 -9.173 500 HG13 ILE 68 1HG1 ILE 68 -6.174 11.470 -10.709 501 HG21 ILE 68 1HG2 ILE 68 -5.586 10.114 -12.642 502 HG22 ILE 68 2HG2 ILE 68 -7.146 9.290 -12.663 503 HG23 ILE 68 3HG2 ILE 68 -5.651 8.354 -12.575 504 HD11 ILE 68 3HD1 ILE 68 -8.483 11.911 -10.213 505 HD12 ILE 68 1HD1 ILE 68 -8.812 10.192 -9.991 506 HD13 ILE 68 2HD1 ILE 68 -8.394 10.807 -11.586 507 H ALA 69 H ALA 69 -5.001 6.582 -9.853 508 HA ALA 69 HA ALA 69 -5.571 4.922 -12.096 509 HB1 ALA 69 1HB ALA 69 -3.664 3.615 -11.351 510 HB2 ALA 69 2HB ALA 69 -3.626 4.538 -9.844 511 HB3 ALA 69 3HB ALA 69 -3.290 5.337 -11.379 512 H GLY 70 H GLY 70 -5.846 4.552 -8.565 513 HA2 GLY 70 2HA GLY 70 -8.033 3.377 -8.082 514 HA3 GLY 70 1HA GLY 70 -7.365 2.085 -9.071 515 H LEU 71 H LEU 71 -5.330 3.935 -6.959 516 HA LEU 71 HA LEU 71 -4.912 1.595 -5.314 517 HB2 LEU 71 2HB LEU 71 -2.942 2.802 -6.090 518 HB3 LEU 71 1HB LEU 71 -3.562 4.292 -5.434 519 HG LEU 71 HG LEU 71 -2.835 3.795 -3.265 520 HD11 LEU 71 1HD1 LEU 71 -2.352 1.383 -2.580 521 HD12 LEU 71 2HD1 LEU 71 -2.712 0.867 -4.224 522 HD13 LEU 71 3HD1 LEU 71 -3.994 1.499 -3.203 523 HD21 LEU 71 3HD2 LEU 71 -1.059 2.222 -5.100 524 HD22 LEU 71 1HD2 LEU 71 -0.629 2.855 -3.516 525 HD23 LEU 71 2HD2 LEU 71 -1.011 3.964 -4.828 526 H GLN 72 H GLN 72 -5.899 1.261 -3.473 527 HA GLN 72 HA GLN 72 -7.200 3.537 -2.201 528 HB2 GLN 72 2HB GLN 72 -7.864 0.590 -2.011 529 HB3 GLN 72 1HB GLN 72 -8.681 1.899 -1.162 530 HG2 GLN 72 2HG GLN 72 -8.584 1.550 -4.139 531 HG3 GLN 72 1HG GLN 72 -9.944 1.134 -3.095 532 HE21 GLN 72 1HE2 GLN 72 -8.028 3.690 -4.341 533 HE22 GLN 72 2HE2 GLN 72 -9.147 4.971 -4.130 534 H ILE 73 H ILE 73 -7.306 3.410 0.013 535 HA ILE 73 HA ILE 73 -4.821 2.833 1.296 536 HB ILE 73 HB ILE 73 -7.479 3.673 2.481 537 HG12 ILE 73 2HG1 ILE 73 -4.994 5.261 1.845 538 HG13 ILE 73 1HG1 ILE 73 -6.510 5.323 0.951 539 HG21 ILE 73 1HG2 ILE 73 -4.753 3.622 3.758 540 HG22 ILE 73 2HG2 ILE 73 -6.112 2.574 4.167 541 HG23 ILE 73 3HG2 ILE 73 -6.208 4.310 4.478 542 HD11 ILE 73 3HD1 ILE 73 -6.050 6.201 3.796 543 HD12 ILE 73 1HD1 ILE 73 -7.604 6.242 2.966 544 HD13 ILE 73 2HD1 ILE 73 -6.276 7.253 2.395 545 H GLY 74 H GLY 74 -4.236 1.128 2.572 546 HA2 GLY 74 2HA GLY 74 -4.383 -0.901 3.704 547 HA3 GLY 74 1HA GLY 74 -6.121 -0.828 3.502 548 H ASP 75 H ASP 75 -4.272 -0.412 0.643 549 HA ASP 75 HA ASP 75 -5.568 -2.675 -0.524 550 HB2 ASP 75 2HB ASP 75 -4.221 -0.323 -1.464 551 HB3 ASP 75 1HB ASP 75 -3.816 -1.724 -2.435 552 H LYS 76 H LYS 76 -2.844 -2.664 1.200 553 HA LYS 76 HA LYS 76 -0.894 -3.926 1.291 554 HB2 LYS 76 2HB LYS 76 -2.548 -5.443 2.196 555 HB3 LYS 76 1HB LYS 76 -2.943 -6.031 0.587 556 HG2 LYS 76 2HG LYS 76 -0.701 -6.912 0.350 557 HG3 LYS 76 1HG LYS 76 -0.295 -6.367 1.984 558 HD2 LYS 76 2HD LYS 76 -2.461 -8.347 1.276 559 HD3 LYS 76 1HD LYS 76 -0.846 -8.779 1.833 560 HE2 LYS 76 2HE LYS 76 -1.265 -7.605 3.939 561 HE3 LYS 76 1HE LYS 76 -2.883 -7.176 3.378 562 HZ1 LYS 76 3HZ LYS 76 -3.427 -9.508 3.245 563 HZ2 LYS 76 1HZ LYS 76 -2.875 -9.143 4.809 564 HZ3 LYS 76 2HZ LYS 76 -1.858 -9.915 3.685 565 H ILE 77 H ILE 77 0.628 -3.407 -0.097 566 HA ILE 77 HA ILE 77 0.367 -3.968 -2.900 567 HB ILE 77 HB ILE 77 2.676 -2.779 -1.391 568 HG12 ILE 77 2HG1 ILE 77 0.606 -1.143 -2.775 569 HG13 ILE 77 1HG1 ILE 77 0.260 -1.741 -1.153 570 HG21 ILE 77 1HG2 ILE 77 3.100 -1.736 -3.589 571 HG22 ILE 77 2HG2 ILE 77 1.715 -2.606 -4.256 572 HG23 ILE 77 3HG2 ILE 77 3.122 -3.498 -3.672 573 HD11 ILE 77 3HD1 ILE 77 2.131 -0.686 -0.290 574 HD12 ILE 77 1HD1 ILE 77 1.200 0.496 -1.200 575 HD13 ILE 77 2HD1 ILE 77 2.696 -0.195 -1.905 576 H MET 78 H MET 78 1.274 -5.730 -3.793 577 HA MET 78 HA MET 78 3.148 -7.287 -2.137 578 HB2 MET 78 2HB MET 78 1.194 -8.259 -4.216 579 HB3 MET 78 1HB MET 78 2.365 -9.273 -3.403 580 HG2 MET 78 2HG MET 78 0.194 -7.776 -1.934 581 HG3 MET 78 1HG MET 78 -0.032 -9.387 -2.593 582 HE1 MET 78 3HE MET 78 2.481 -8.336 1.166 583 HE2 MET 78 1HE MET 78 1.191 -7.332 0.526 584 HE3 MET 78 2HE MET 78 2.703 -7.445 -0.338 585 H GLN 79 H GLN 79 2.887 -5.425 -4.870 586 HA GLN 79 HA GLN 79 5.450 -6.250 -5.821 587 HB2 GLN 79 2HB GLN 79 4.144 -7.923 -6.833 588 HB3 GLN 79 1HB GLN 79 2.904 -6.822 -7.324 589 HG2 GLN 79 2HG GLN 79 4.391 -7.822 -9.081 590 HG3 GLN 79 1HG GLN 79 4.191 -6.071 -9.160 591 HE21 GLN 79 1HE2 GLN 79 5.913 -4.846 -8.926 592 HE22 GLN 79 2HE2 GLN 79 7.535 -5.420 -8.792 593 H VAL 80 H VAL 80 6.499 -4.475 -6.496 594 HA VAL 80 HA VAL 80 5.027 -2.078 -7.424 595 HB VAL 80 HB VAL 80 7.225 -2.263 -5.328 596 HG11 VAL 80 1HG1 VAL 80 7.960 -0.548 -6.860 597 HG12 VAL 80 2HG1 VAL 80 7.448 0.170 -5.338 598 HG13 VAL 80 3HG1 VAL 80 6.415 0.291 -6.753 599 HG21 VAL 80 3HG2 VAL 80 4.963 -2.382 -4.517 600 HG22 VAL 80 1HG2 VAL 80 4.552 -0.856 -5.287 601 HG23 VAL 80 2HG2 VAL 80 5.742 -0.894 -3.989 602 H ASN 81 H ASN 81 5.740 -1.734 -9.427 603 HA ASN 81 HA ASN 81 7.101 -1.226 -11.155 604 HB2 ASN 81 2HB ASN 81 7.927 0.200 -9.134 605 HB3 ASN 81 1HB ASN 81 9.342 -0.832 -9.206 606 HD21 ASN 81 1HD2 ASN 81 7.429 0.368 -11.936 607 HD22 ASN 81 2HD2 ASN 81 8.641 1.336 -12.586 608 H GLY 82 H GLY 82 7.060 -4.008 -10.372 609 HA2 GLY 82 2HA GLY 82 7.981 -5.930 -11.146 610 HA3 GLY 82 1HA GLY 82 9.270 -4.968 -11.870 611 H TRP 83 H TRP 83 9.098 -4.246 -8.604 612 HA TRP 83 HA TRP 83 11.561 -5.772 -8.203 613 HB2 TRP 83 2HB TRP 83 12.419 -3.938 -7.120 614 HB3 TRP 83 1HB TRP 83 11.040 -3.147 -7.866 615 HD1 TRP 83 HD TRP 83 8.717 -3.376 -6.055 616 HE1 TRP 83 1HE TRP 83 8.730 -2.503 -3.610 617 HE3 TRP 83 3HE TRP 83 13.745 -3.338 -5.195 618 HZ2 TRP 83 2HZ TRP 83 10.553 -1.870 -1.670 619 HZ3 TRP 83 3HZ TRP 83 14.546 -2.574 -2.991 620 HH2 TRP 83 HH TRP 83 12.970 -1.861 -1.256 621 H ASP 84 H ASP 84 8.412 -6.498 -7.311 622 HA ASP 84 HA ASP 84 7.363 -7.669 -5.772 623 HB2 ASP 84 2HB ASP 84 9.250 -9.285 -5.987 624 HB3 ASP 84 1HB ASP 84 10.066 -8.393 -4.686 625 H MET 85 H MET 85 6.276 -7.075 -4.026 626 HA MET 85 HA MET 85 7.655 -5.172 -2.219 627 HB2 MET 85 2HB MET 85 5.948 -4.293 -3.919 628 HB3 MET 85 1HB MET 85 4.747 -5.059 -2.892 629 HG2 MET 85 2HG MET 85 4.883 -2.776 -2.295 630 HG3 MET 85 1HG MET 85 5.629 -3.723 -1.003 631 HE1 MET 85 3HE MET 85 5.935 -0.578 -1.824 632 HE2 MET 85 1HE MET 85 7.618 -0.329 -1.356 633 HE3 MET 85 2HE MET 85 6.538 -1.289 -0.332 634 H THR 86 H THR 86 6.192 -8.067 -2.517 635 HA THR 86 HA THR 86 4.541 -8.048 -0.216 636 HB THR 86 HB THR 86 3.935 -9.638 -1.872 637 HG1 THR 86 1HG THR 86 4.475 -10.441 0.619 638 HG21 THR 86 3HG2 THR 86 5.358 -11.514 -2.550 639 HG22 THR 86 1HG2 THR 86 6.643 -10.892 -1.513 640 HG23 THR 86 2HG2 THR 86 6.112 -9.959 -2.906 641 H MET 87 H MET 87 7.887 -8.289 -0.472 642 HA MET 87 HA MET 87 7.957 -8.577 2.412 643 HB2 MET 87 2HB MET 87 8.428 -10.842 1.293 644 HB3 MET 87 1HB MET 87 9.889 -10.111 0.659 645 HG2 MET 87 2HG MET 87 9.223 -10.479 3.587 646 HG3 MET 87 1HG MET 87 10.313 -11.481 2.647 647 HE1 MET 87 3HE MET 87 11.053 -10.139 5.457 648 HE2 MET 87 1HE MET 87 12.701 -9.613 5.125 649 HE3 MET 87 2HE MET 87 12.139 -11.182 4.537 650 H VAL 88 H VAL 88 8.520 -6.456 2.671 651 HA VAL 88 HA VAL 88 11.236 -5.764 2.218 652 HB VAL 88 HB VAL 88 10.331 -5.219 -0.030 653 HG11 VAL 88 1HG1 VAL 88 8.702 -3.393 -0.299 654 HG12 VAL 88 2HG1 VAL 88 8.485 -3.377 1.449 655 HG13 VAL 88 3HG1 VAL 88 8.019 -4.795 0.528 656 HG21 VAL 88 3HG2 VAL 88 11.011 -2.813 1.644 657 HG22 VAL 88 1HG2 VAL 88 11.083 -2.878 -0.116 658 HG23 VAL 88 2HG2 VAL 88 12.154 -3.892 0.846 659 H THR 89 H THR 89 11.877 -4.027 3.467 660 HA THR 89 HA THR 89 10.263 -3.577 5.754 661 HB THR 89 HB THR 89 12.195 -1.896 6.225 662 HG1 THR 89 1HG THR 89 13.712 -3.455 4.521 663 HG21 THR 89 3HG2 THR 89 11.881 -4.115 7.286 664 HG22 THR 89 1HG2 THR 89 13.581 -3.677 7.093 665 HG23 THR 89 2HG2 THR 89 12.840 -4.833 5.987 666 H HIS 90 H HIS 90 9.626 -1.578 6.510 667 HA HIS 90 HA HIS 90 8.181 0.074 4.805 668 HB2 HIS 90 2HB HIS 90 7.868 -0.043 7.234 669 HB3 HIS 90 1HB HIS 90 9.399 0.749 7.504 670 HD1 HIS 90 1HD HIS 90 5.869 1.448 7.429 671 HD2 HIS 90 2HD HIS 90 9.275 3.517 6.266 672 HE1 HIS 90 1HE HIS 90 5.134 3.750 7.056 673 H ASP 91 H ASP 91 11.418 0.424 6.110 674 HA ASP 91 HA ASP 91 11.959 3.024 5.160 675 HB2 ASP 91 2HB ASP 91 13.182 1.639 6.924 676 HB3 ASP 91 1HB ASP 91 13.990 0.891 5.570 677 H GLN 92 H GLN 92 12.622 -0.175 3.806 678 HA GLN 92 HA GLN 92 14.001 0.926 1.560 679 HB2 GLN 92 2HB GLN 92 13.372 -1.779 2.526 680 HB3 GLN 92 1HB GLN 92 13.396 -1.637 0.786 681 HG2 GLN 92 2HG GLN 92 15.590 -2.296 1.618 682 HG3 GLN 92 1HG GLN 92 15.666 -0.704 0.876 683 HE21 GLN 92 1HE2 GLN 92 14.534 -1.475 4.168 684 HE22 GLN 92 2HE2 GLN 92 15.798 -0.608 4.950 685 H ALA 93 H ALA 93 10.780 -0.058 2.231 686 HA ALA 93 HA ALA 93 9.739 -0.059 -0.381 687 HB1 ALA 93 1HB ALA 93 8.444 0.466 2.267 688 HB2 ALA 93 2HB ALA 93 8.725 -1.099 1.525 689 HB3 ALA 93 3HB ALA 93 7.608 0.049 0.773 690 H ARG 94 H ARG 94 9.903 2.351 2.172 691 HA ARG 94 HA ARG 94 8.486 4.408 0.998 692 HB2 ARG 94 2HB ARG 94 10.742 4.318 2.943 693 HB3 ARG 94 1HB ARG 94 10.108 5.892 2.456 694 HG2 ARG 94 2HG ARG 94 8.492 3.667 3.645 695 HG3 ARG 94 1HG ARG 94 9.253 4.939 4.594 696 HD2 ARG 94 2HD ARG 94 7.333 5.452 2.359 697 HD3 ARG 94 1HD ARG 94 6.818 5.293 4.048 698 HE ARG 94 HE ARG 94 8.857 7.268 3.334 699 HH11 ARG 94 1HH1 ARG 94 5.586 6.641 4.556 700 HH12 ARG 94 2HH1 ARG 94 5.266 8.275 4.923 701 HH21 ARG 94 1HH2 ARG 94 8.426 9.477 3.869 702 HH22 ARG 94 2HH2 ARG 94 6.934 9.958 4.492 703 H LYS 95 H LYS 95 11.764 3.449 0.648 704 HA LYS 95 HA LYS 95 12.536 5.655 -1.054 705 HB2 LYS 95 2HB LYS 95 13.997 3.156 -0.187 706 HB3 LYS 95 1HB LYS 95 14.705 4.412 -1.195 707 HG2 LYS 95 2HG LYS 95 14.408 6.030 0.601 708 HG3 LYS 95 1HG LYS 95 13.674 4.777 1.604 709 HD2 LYS 95 2HD LYS 95 15.746 3.519 1.590 710 HD3 LYS 95 1HD LYS 95 16.485 4.702 0.508 711 HE2 LYS 95 2HE LYS 95 17.197 5.092 2.802 712 HE3 LYS 95 1HE LYS 95 16.211 6.425 2.209 713 HZ1 LYS 95 3HZ LYS 95 14.307 5.448 3.394 714 HZ2 LYS 95 1HZ LYS 95 15.572 5.860 4.432 715 HZ3 LYS 95 2HZ LYS 95 15.323 4.252 4.041 716 H ARG 96 H ARG 96 10.396 3.879 -1.842 717 HA ARG 96 HA ARG 96 11.389 3.363 -4.492 718 HB2 ARG 96 2HB ARG 96 11.454 1.155 -3.261 719 HB3 ARG 96 1HB ARG 96 9.708 1.276 -3.093 720 HG2 ARG 96 2HG ARG 96 10.190 -0.156 -4.953 721 HG3 ARG 96 1HG ARG 96 9.529 1.360 -5.575 722 HD2 ARG 96 2HD ARG 96 11.876 2.140 -5.955 723 HD3 ARG 96 1HD ARG 96 12.420 0.535 -5.483 724 HE ARG 96 HE ARG 96 10.674 1.039 -7.784 725 HH11 ARG 96 1HH1 ARG 96 13.466 -0.631 -6.333 726 HH12 ARG 96 2HH1 ARG 96 13.931 -1.397 -7.753 727 HH21 ARG 96 1HH2 ARG 96 11.374 0.007 -9.801 728 HH22 ARG 96 2HH2 ARG 96 12.714 -1.028 -9.777 729 H LEU 97 H LEU 97 8.595 3.511 -2.372 730 HA LEU 97 HA LEU 97 7.057 4.334 -4.708 731 HB2 LEU 97 2HB LEU 97 5.125 4.125 -3.071 732 HB3 LEU 97 1HB LEU 97 5.902 2.681 -3.722 733 HG LEU 97 HG LEU 97 7.203 2.563 -1.592 734 HD11 LEU 97 1HD1 LEU 97 5.199 4.608 -0.649 735 HD12 LEU 97 2HD1 LEU 97 6.930 4.871 -0.839 736 HD13 LEU 97 3HD1 LEU 97 6.342 3.724 0.364 737 HD21 LEU 97 3HD2 LEU 97 5.559 1.465 -0.497 738 HD22 LEU 97 1HD2 LEU 97 5.183 1.305 -2.211 739 HD23 LEU 97 2HD2 LEU 97 4.281 2.475 -1.192 740 H THR 98 H THR 98 8.307 5.715 -1.863 741 HA THR 98 HA THR 98 6.940 8.145 -2.804 742 HB THR 98 HB THR 98 6.222 7.660 -0.486 743 HG1 THR 98 1HG THR 98 7.764 9.926 -1.008 744 HG21 THR 98 3HG2 THR 98 7.781 7.854 1.377 745 HG22 THR 98 1HG2 THR 98 9.114 8.044 0.236 746 HG23 THR 98 2HG2 THR 98 8.214 6.527 0.294 747 H LYS 99 H LYS 99 9.648 6.700 -3.330 748 HA LYS 99 HA LYS 99 11.558 8.725 -2.932 749 HB2 LYS 99 2HB LYS 99 12.848 7.683 -4.773 750 HB3 LYS 99 1HB LYS 99 12.225 6.470 -3.657 751 HG2 LYS 99 2HG LYS 99 10.725 5.640 -5.158 752 HG3 LYS 99 1HG LYS 99 10.688 7.128 -6.115 753 HD2 LYS 99 2HD LYS 99 11.859 5.290 -7.295 754 HD3 LYS 99 1HD LYS 99 12.914 6.660 -6.976 755 HE2 LYS 99 2HE LYS 99 13.831 5.471 -5.037 756 HE3 LYS 99 1HE LYS 99 12.784 4.114 -5.382 757 HZ1 LYS 99 3HZ LYS 99 14.910 5.140 -7.178 758 HZ2 LYS 99 1HZ LYS 99 13.928 3.826 -7.541 759 HZ3 LYS 99 2HZ LYS 99 15.045 3.770 -6.267 760 H ARG 100 H ARG 100 12.207 10.390 -4.313 761 HA ARG 100 HA ARG 100 9.944 11.358 -5.930 762 HB2 ARG 100 2HB ARG 100 10.880 13.631 -5.549 763 HB3 ARG 100 1HB ARG 100 10.392 12.814 -4.072 764 HG2 ARG 100 2HG ARG 100 12.709 12.261 -3.611 765 HG3 ARG 100 1HG ARG 100 13.181 13.032 -5.124 766 HD2 ARG 100 2HD ARG 100 13.557 14.580 -3.251 767 HD3 ARG 100 1HD ARG 100 12.237 15.158 -4.273 768 HE ARG 100 HE ARG 100 11.488 13.545 -2.000 769 HH11 ARG 100 1HH1 ARG 100 11.841 16.858 -3.253 770 HH12 ARG 100 2HH1 ARG 100 10.870 17.583 -2.075 771 HH21 ARG 100 1HH2 ARG 100 10.138 14.556 -0.352 772 HH22 ARG 100 2HH2 ARG 100 9.829 16.228 -0.400 773 H SER 101 H SER 101 12.549 9.805 -6.382 774 HA SER 101 HA SER 101 13.827 11.289 -8.483 775 HB2 SER 101 2HB SER 101 14.129 8.536 -7.372 776 HB3 SER 101 1HB SER 101 15.243 9.228 -8.584 777 HG SER 101 HG SER 101 15.180 11.003 -6.810 778 H GLU 102 H GLU 102 11.581 8.655 -8.135 779 HA GLU 102 HA GLU 102 11.540 8.141 -11.015 780 HB2 GLU 102 2HB GLU 102 11.689 6.185 -9.505 781 HB3 GLU 102 1HB GLU 102 10.198 6.668 -8.719 782 HG2 GLU 102 2HG GLU 102 9.935 4.769 -10.288 783 HG3 GLU 102 1HG GLU 102 8.928 6.156 -10.691 784 H GLU 103 H GLU 103 9.312 7.875 -11.989 785 HA GLU 103 HA GLU 103 7.541 9.932 -10.904 786 HB2 GLU 103 2HB GLU 103 6.832 10.316 -13.302 787 HB3 GLU 103 1HB GLU 103 8.434 10.909 -12.831 788 HG2 GLU 103 2HG GLU 103 9.372 8.942 -14.007 789 HG3 GLU 103 1HG GLU 103 7.757 8.454 -14.435 790 H VAL 104 H VAL 104 7.355 7.262 -13.232 791 HA VAL 104 HA VAL 104 4.810 6.602 -12.054 792 HB VAL 104 HB VAL 104 4.274 7.634 -14.104 793 HG11 VAL 104 1HG1 VAL 104 6.264 7.685 -15.251 794 HG12 VAL 104 2HG1 VAL 104 5.021 6.922 -16.242 795 HG13 VAL 104 3HG1 VAL 104 6.280 5.916 -15.477 796 HG21 VAL 104 3HG2 VAL 104 4.164 4.676 -14.555 797 HG22 VAL 104 1HG2 VAL 104 3.170 5.887 -15.372 798 HG23 VAL 104 2HG2 VAL 104 3.018 5.630 -13.619 799 H VAL 105 H VAL 105 4.355 4.645 -11.584 800 HA VAL 105 HA VAL 105 6.229 2.476 -12.190 801 HB VAL 105 HB VAL 105 5.963 1.786 -9.735 802 HG11 VAL 105 1HG1 VAL 105 7.682 3.349 -8.926 803 HG12 VAL 105 2HG1 VAL 105 7.350 4.420 -10.287 804 HG13 VAL 105 3HG1 VAL 105 8.042 2.825 -10.573 805 HG21 VAL 105 3HG2 VAL 105 4.027 3.207 -9.324 806 HG22 VAL 105 1HG2 VAL 105 5.037 4.633 -9.515 807 HG23 VAL 105 2HG2 VAL 105 5.335 3.534 -8.166 808 H ARG 106 H ARG 106 5.218 0.339 -11.283 809 HA ARG 106 HA ARG 106 2.297 0.257 -11.793 810 HB2 ARG 106 2HB ARG 106 4.458 -1.676 -12.696 811 HB3 ARG 106 1HB ARG 106 2.774 -2.095 -12.652 812 HG2 ARG 106 2HG ARG 106 3.707 0.283 -14.216 813 HG3 ARG 106 1HG ARG 106 3.716 -1.348 -14.895 814 HD2 ARG 106 2HD ARG 106 1.356 -1.565 -14.570 815 HD3 ARG 106 1HD ARG 106 1.292 -0.057 -13.663 816 HE ARG 106 HE ARG 106 1.871 1.086 -15.737 817 HH11 ARG 106 1HH1 ARG 106 0.634 -2.243 -16.202 818 HH12 ARG 106 2HH1 ARG 106 -0.125 -1.851 -17.659 819 HH21 ARG 106 1HH2 ARG 106 0.807 1.555 -17.632 820 HH22 ARG 106 2HH2 ARG 106 -0.044 0.359 -18.516 821 H LEU 107 H LEU 107 1.328 -0.365 -9.821 822 HA LEU 107 HA LEU 107 3.028 -2.098 -8.253 823 HB2 LEU 107 2HB LEU 107 0.884 -0.323 -7.152 824 HB3 LEU 107 1HB LEU 107 2.194 -1.090 -6.297 825 HG LEU 107 HG LEU 107 2.808 1.117 -6.236 826 HD11 LEU 107 1HD1 LEU 107 4.598 -0.161 -7.039 827 HD12 LEU 107 2HD1 LEU 107 4.674 1.532 -7.514 828 HD13 LEU 107 3HD1 LEU 107 4.200 0.300 -8.692 829 HD21 LEU 107 3HD2 LEU 107 2.574 2.771 -7.961 830 HD22 LEU 107 1HD2 LEU 107 1.038 2.001 -7.618 831 HD23 LEU 107 2HD2 LEU 107 1.930 1.559 -9.078 832 H LEU 108 H LEU 108 1.964 -3.739 -7.270 833 HA LEU 108 HA LEU 108 -0.736 -4.213 -8.211 834 HB2 LEU 108 2HB LEU 108 1.599 -5.874 -8.193 835 HB3 LEU 108 1HB LEU 108 0.208 -6.703 -7.498 836 HG LEU 108 HG LEU 108 -0.963 -5.967 -9.658 837 HD11 LEU 108 1HD1 LEU 108 1.901 -5.557 -10.520 838 HD12 LEU 108 2HD1 LEU 108 0.656 -4.316 -10.389 839 HD13 LEU 108 3HD1 LEU 108 0.507 -5.591 -11.598 840 HD21 LEU 108 3HD2 LEU 108 1.284 -7.963 -9.881 841 HD22 LEU 108 1HD2 LEU 108 -0.110 -7.870 -10.951 842 HD23 LEU 108 2HD2 LEU 108 -0.332 -8.292 -9.253 843 H VAL 109 H VAL 109 -2.128 -4.328 -6.842 844 HA VAL 109 HA VAL 109 -1.350 -4.683 -4.040 845 HB VAL 109 HB VAL 109 -3.208 -3.234 -3.376 846 HG11 VAL 109 1HG1 VAL 109 -2.168 -1.096 -3.966 847 HG12 VAL 109 2HG1 VAL 109 -1.229 -1.914 -5.222 848 HG13 VAL 109 3HG1 VAL 109 -0.976 -2.319 -3.525 849 HG21 VAL 109 3HG2 VAL 109 -4.636 -3.438 -5.345 850 HG22 VAL 109 1HG2 VAL 109 -3.438 -2.555 -6.290 851 HG23 VAL 109 2HG2 VAL 109 -4.293 -1.753 -4.969 852 H THR 110 H THR 110 -2.852 -5.653 -2.690 853 HA THR 110 HA THR 110 -4.583 -7.436 -4.199 854 HB THR 110 HB THR 110 -4.342 -9.016 -2.286 855 HG1 THR 110 1HG THR 110 -2.401 -7.065 -1.531 856 HG21 THR 110 3HG2 THR 110 -3.127 -9.352 -4.329 857 HG22 THR 110 1HG2 THR 110 -2.115 -9.813 -2.961 858 HG23 THR 110 2HG2 THR 110 -1.842 -8.273 -3.783 859 H ARG 111 H ARG 111 -6.581 -7.443 -3.815 860 HA ARG 111 HA ARG 111 -7.579 -5.323 -2.213 861 HB2 ARG 111 2HB ARG 111 -8.828 -7.109 -4.228 862 HB3 ARG 111 1HB ARG 111 -9.838 -6.194 -3.104 863 HG2 ARG 111 2HG ARG 111 -7.685 -4.870 -4.707 864 HG3 ARG 111 1HG ARG 111 -9.315 -5.101 -5.353 865 HD2 ARG 111 2HD ARG 111 -10.249 -3.591 -3.925 866 HD3 ARG 111 1HD ARG 111 -9.112 -3.941 -2.629 867 HE ARG 111 HE ARG 111 -7.767 -2.314 -3.363 868 HH11 ARG 111 1HH1 ARG 111 -10.189 -2.830 -5.928 869 HH12 ARG 111 2HH1 ARG 111 -9.657 -1.498 -6.841 870 HH21 ARG 111 1HH2 ARG 111 -7.084 -0.606 -4.607 871 HH22 ARG 111 2HH2 ARG 111 -7.807 -0.150 -6.076 872 H GLN 112 H GLN 112 -7.048 -5.915 -0.302 873 HA GLN 112 HA GLN 112 -8.316 -8.112 1.093 874 HB2 GLN 112 2HB GLN 112 -7.147 -5.614 2.315 875 HB3 GLN 112 1HB GLN 112 -7.294 -7.198 3.053 876 HG2 GLN 112 2HG GLN 112 -5.421 -6.422 0.834 877 HG3 GLN 112 1HG GLN 112 -4.976 -6.629 2.530 878 HE21 GLN 112 1HE2 GLN 112 -5.590 -8.067 -0.456 879 HE22 GLN 112 2HE2 GLN 112 -5.170 -9.690 -0.040 880 H SER 113 H SER 113 -8.628 -4.723 0.497 881 HA SER 113 HA SER 113 -9.979 -3.131 0.911 882 HB2 SER 113 2HB SER 113 -12.486 -3.581 0.714 883 HB3 SER 113 1HB SER 113 -11.492 -4.068 -0.650 884 HG SER 113 HG SER 113 -11.691 -6.077 1.126 885 H LEU 114 H LEU 114 -8.883 -2.974 2.873 886 HA LEU 114 HA LEU 114 -10.309 -3.606 5.267 887 HB2 LEU 114 2HB LEU 114 -8.002 -1.728 4.758 888 HB3 LEU 114 1HB LEU 114 -8.772 -1.829 6.324 889 HG LEU 114 HG LEU 114 -6.766 -3.101 6.417 890 HD11 LEU 114 1HD1 LEU 114 -9.069 -5.006 6.200 891 HD12 LEU 114 2HD1 LEU 114 -8.605 -4.058 7.611 892 HD13 LEU 114 3HD1 LEU 114 -7.527 -5.310 6.997 893 HD21 LEU 114 3HD2 LEU 114 -6.300 -4.998 4.937 894 HD22 LEU 114 1HD2 LEU 114 -6.383 -3.470 4.054 895 HD23 LEU 114 2HD2 LEU 114 -7.740 -4.592 4.001 896 H GLN 115 H GLN 115 -10.037 -0.826 3.181 897 HA GLN 115 HA GLN 115 -12.331 0.298 4.593 898 HB2 GLN 115 2HB GLN 115 -10.526 1.625 2.548 899 HB3 GLN 115 1HB GLN 115 -11.849 2.387 3.414 900 HG2 GLN 115 2HG GLN 115 -10.573 1.930 5.538 901 HG3 GLN 115 1HG GLN 115 -9.217 1.442 4.525 902 HE21 GLN 115 1HE2 GLN 115 -9.354 3.605 6.403 903 HE22 GLN 115 2HE2 GLN 115 -9.034 5.058 5.525 904 H LYS 116 H LYS 116 -14.227 0.202 3.560 905 HA LYS 116 HA LYS 116 -14.129 -1.024 0.943 906 HB2 LYS 116 2HB LYS 116 -16.590 -1.538 1.324 907 HB3 LYS 116 1HB LYS 116 -15.440 -2.333 2.387 908 HG2 LYS 116 2HG LYS 116 -15.953 -0.732 4.154 909 HG3 LYS 116 1HG LYS 116 -17.098 0.077 3.093 910 HD2 LYS 116 2HD LYS 116 -18.336 -1.340 4.597 911 HD3 LYS 116 1HD LYS 116 -18.407 -2.056 2.998 912 HE2 LYS 116 2HE LYS 116 -16.410 -2.936 5.079 913 HE3 LYS 116 1HE LYS 116 -18.033 -3.599 5.014 914 HZ1 LYS 116 3HZ LYS 116 -17.556 -4.407 2.764 915 HZ2 LYS 116 1HZ LYS 116 -16.467 -5.021 3.869 916 HZ3 LYS 116 2HZ LYS 116 -15.993 -3.823 2.817 917 H ALA 117 H ALA 117 -13.576 0.651 -0.196 918 HA ALA 117 HA ALA 117 -15.298 2.999 -0.277 919 HB1 ALA 117 1HB ALA 117 -12.882 3.303 -0.140 920 HB2 ALA 117 2HB ALA 117 -13.561 3.977 -1.626 921 HB3 ALA 117 3HB ALA 117 -12.694 2.443 -1.667 922 H VAL 118 H VAL 118 -16.263 3.681 -2.176 923 HA VAL 118 HA VAL 118 -16.590 1.549 -4.107 924 HB VAL 118 HB VAL 118 -18.455 3.920 -3.746 925 HG11 VAL 118 1HG1 VAL 118 -18.890 1.260 -5.099 926 HG12 VAL 118 2HG1 VAL 118 -18.662 2.810 -5.906 927 HG13 VAL 118 3HG1 VAL 118 -20.106 2.526 -4.929 928 HG21 VAL 118 3HG2 VAL 118 -19.964 2.446 -2.481 929 HG22 VAL 118 1HG2 VAL 118 -18.418 2.662 -1.659 930 HG23 VAL 118 2HG2 VAL 118 -18.750 1.169 -2.536 931 H GLN 119 H GLN 119 -14.451 2.839 -4.189 932 HA GLN 119 HA GLN 119 -14.479 4.869 -6.318 933 HB2 GLN 119 2HB GLN 119 -12.181 3.506 -4.880 934 HB3 GLN 119 1HB GLN 119 -11.960 4.692 -6.155 935 HG2 GLN 119 2HG GLN 119 -13.422 5.267 -3.589 936 HG3 GLN 119 1HG GLN 119 -11.696 5.537 -3.808 937 HE21 GLN 119 1HE2 GLN 119 -11.866 7.727 -3.491 938 HE22 GLN 119 2HE2 GLN 119 -12.577 8.802 -4.624 939 H GLN 120 H GLN 120 -13.864 1.578 -5.687 940 HA GLN 120 HA GLN 120 -13.475 0.968 -8.507 941 HB2 GLN 120 2HB GLN 120 -11.697 0.069 -7.140 942 HB3 GLN 120 1HB GLN 120 -12.840 -0.538 -5.956 943 HG2 GLN 120 2HG GLN 120 -11.923 -2.340 -7.286 944 HG3 GLN 120 1HG GLN 120 -13.653 -2.181 -7.561 945 HE21 GLN 120 1HE2 GLN 120 -13.682 -3.121 -9.511 946 HE22 GLN 120 2HE2 GLN 120 -12.965 -2.455 -10.933 947 H SER 121 H SER 121 -15.062 -0.124 -9.484 948 HA SER 121 HA SER 121 -17.527 -0.541 -8.131 949 HB2 SER 121 2HB SER 121 -17.330 0.106 -10.548 950 HB3 SER 121 1HB SER 121 -16.624 -1.474 -10.877 951 HG SER 121 HG SER 121 -18.573 -1.921 -11.272 952 H MET 122 H MET 122 -17.911 -2.220 -6.902 953 HA MET 122 HA MET 122 -15.963 -4.222 -6.453 954 HB2 MET 122 2HB MET 122 -18.780 -4.014 -5.390 955 HB3 MET 122 1HB MET 122 -17.571 -5.146 -4.802 956 HG2 MET 122 2HG MET 122 -16.142 -3.268 -4.131 957 HG3 MET 122 1HG MET 122 -17.364 -2.139 -4.708 958 HE1 MET 122 3HE MET 122 -16.162 -1.934 -1.785 959 HE2 MET 122 1HE MET 122 -17.629 -1.654 -0.849 960 HE3 MET 122 2HE MET 122 -17.420 -0.869 -2.415 961 H LEU 123 H LEU 123 -18.629 -4.120 -8.538 962 HA LEU 123 HA LEU 123 -18.682 -7.007 -8.919 963 HB2 LEU 123 2HB LEU 123 -20.739 -5.458 -9.039 964 HB3 LEU 123 1HB LEU 123 -20.102 -4.868 -10.549 965 HG LEU 123 HG LEU 123 -21.047 -7.705 -10.017 966 HD11 LEU 123 1HD1 LEU 123 -22.924 -7.108 -11.453 967 HD12 LEU 123 2HD1 LEU 123 -22.319 -5.457 -11.558 968 HD13 LEU 123 3HD1 LEU 123 -22.855 -6.101 -10.007 969 HD21 LEU 123 3HD2 LEU 123 -20.240 -6.399 -12.628 970 HD22 LEU 123 1HD2 LEU 123 -20.911 -8.020 -12.444 971 HD23 LEU 123 2HD2 LEU 123 -19.322 -7.641 -11.778 972 H SER 124 H SER 124 -18.437 -4.268 -11.203 973 HA SER 124 HA SER 124 -15.890 -4.823 -12.190 974 HB2 SER 124 2HB SER 124 -18.305 -5.524 -13.905 975 HB3 SER 124 1HB SER 124 -16.672 -5.309 -14.533 976 HG SER 124 HG SER 124 -16.876 -7.068 -12.438 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 0.203 -13.302 -23.425 2 H2 GLY 1 2HT GLY 1 -0.904 -14.471 -22.905 3 H3 GLY 1 3HT GLY 1 0.177 -13.768 -21.811 4 HA2 GLY 1 1HA GLY 1 -1.986 -12.336 -23.217 5 HA3 GLY 1 2HA GLY 1 -2.001 -12.827 -21.526 6 H SER 2 H SER 2 -2.327 -10.389 -21.282 7 HA SER 2 HA SER 2 -0.012 -8.766 -21.748 8 HB2 SER 2 2HB SER 2 -2.480 -8.150 -20.095 9 HB3 SER 2 1HB SER 2 -1.341 -6.990 -20.779 10 HG SER 2 HG SER 2 -2.081 -7.358 -22.749 11 H TYR 3 H TYR 3 -1.815 -9.622 -18.770 12 HA TYR 3 HA TYR 3 0.466 -10.571 -17.457 13 HB2 TYR 3 2HB TYR 3 0.930 -8.177 -17.127 14 HB3 TYR 3 1HB TYR 3 -0.710 -7.924 -16.530 15 HD1 TYR 3 1HD TYR 3 2.455 -9.661 -15.822 16 HD2 TYR 3 2HD TYR 3 -1.239 -8.306 -14.309 17 HE1 TYR 3 1HE TYR 3 3.198 -10.266 -13.543 18 HE2 TYR 3 2HE TYR 3 -0.529 -8.886 -12.003 19 HH TYR 3 HH TYR 3 2.657 -9.602 -11.246 20 H ILE 4 H ILE 4 -0.289 -12.086 -16.137 21 HA ILE 4 HA ILE 4 -3.059 -11.843 -15.308 22 HB ILE 4 HB ILE 4 -2.780 -13.646 -16.919 23 HG12 ILE 4 2HG1 ILE 4 -4.375 -14.057 -14.969 24 HG13 ILE 4 1HG1 ILE 4 -3.873 -15.478 -15.862 25 HG21 ILE 4 1HG2 ILE 4 -1.410 -15.623 -16.535 26 HG22 ILE 4 2HG2 ILE 4 -0.683 -14.803 -15.150 27 HG23 ILE 4 3HG2 ILE 4 -0.499 -14.128 -16.768 28 HD11 ILE 4 3HD1 ILE 4 -3.979 -15.915 -13.484 29 HD12 ILE 4 1HD1 ILE 4 -2.849 -14.600 -13.166 30 HD13 ILE 4 2HD1 ILE 4 -2.311 -16.028 -14.047 31 HA PRO 5 HA PRO 5 -0.939 -11.376 -11.413 32 HB2 PRO 5 2HB PRO 5 -3.146 -10.786 -9.969 33 HB3 PRO 5 1HB PRO 5 -2.312 -9.581 -10.968 34 HG2 PRO 5 2HG PRO 5 -4.805 -11.125 -11.490 35 HG3 PRO 5 1HG PRO 5 -4.409 -9.456 -11.933 36 HD2 PRO 5 2HD PRO 5 -4.330 -11.552 -13.677 37 HD3 PRO 5 1HD PRO 5 -3.323 -10.093 -13.839 38 H GLY 6 H GLY 6 -0.866 -12.430 -9.470 39 HA2 GLY 6 2HA GLY 6 -1.883 -15.111 -9.419 40 HA3 GLY 6 1HA GLY 6 -0.903 -14.338 -8.179 41 H GLN 7 H GLN 7 -4.002 -13.359 -9.473 42 HA GLN 7 HA GLN 7 -5.113 -13.013 -6.868 43 HB2 GLN 7 2HB GLN 7 -5.721 -11.475 -8.575 44 HB3 GLN 7 1HB GLN 7 -6.321 -12.762 -9.632 45 HG2 GLN 7 2HG GLN 7 -8.112 -13.171 -7.993 46 HG3 GLN 7 1HG GLN 7 -7.485 -11.866 -7.000 47 HE21 GLN 7 1HE2 GLN 7 -6.862 -10.138 -9.382 48 HE22 GLN 7 2HE2 GLN 7 -8.390 -9.617 -9.929 49 HA PRO 8 HA PRO 8 -6.536 -17.211 -6.798 50 HB2 PRO 8 2HB PRO 8 -7.564 -17.166 -4.288 51 HB3 PRO 8 1HB PRO 8 -5.827 -17.219 -4.579 52 HG2 PRO 8 2HG PRO 8 -7.535 -14.865 -3.871 53 HG3 PRO 8 1HG PRO 8 -5.919 -15.288 -3.284 54 HD2 PRO 8 2HD PRO 8 -6.365 -13.430 -5.307 55 HD3 PRO 8 1HD PRO 8 -4.885 -14.398 -5.113 56 H VAL 9 H VAL 9 -8.908 -16.036 -4.657 57 HA VAL 9 HA VAL 9 -10.839 -15.321 -6.683 58 HB VAL 9 HB VAL 9 -12.644 -16.805 -5.705 59 HG11 VAL 9 1HG1 VAL 9 -12.070 -18.795 -7.045 60 HG12 VAL 9 2HG1 VAL 9 -10.410 -18.207 -7.166 61 HG13 VAL 9 3HG1 VAL 9 -11.724 -17.292 -7.902 62 HG21 VAL 9 3HG2 VAL 9 -11.479 -17.472 -3.686 63 HG22 VAL 9 1HG2 VAL 9 -10.317 -18.377 -4.648 64 HG23 VAL 9 2HG2 VAL 9 -12.014 -18.888 -4.603 65 H THR 10 H THR 10 -10.256 -15.840 -3.238 66 HA THR 10 HA THR 10 -12.471 -14.174 -2.499 67 HB THR 10 HB THR 10 -11.703 -16.162 -1.175 68 HG1 THR 10 1HG THR 10 -11.997 -13.610 0.017 69 HG21 THR 10 3HG2 THR 10 -9.468 -14.328 -0.296 70 HG22 THR 10 1HG2 THR 10 -9.282 -15.785 -1.271 71 HG23 THR 10 2HG2 THR 10 -9.834 -15.907 0.401 72 H ALA 11 H ALA 11 -9.164 -13.712 -3.132 73 HA ALA 11 HA ALA 11 -9.332 -10.983 -2.079 74 HB1 ALA 11 1HB ALA 11 -6.894 -11.033 -1.861 75 HB2 ALA 11 2HB ALA 11 -6.909 -12.734 -2.384 76 HB3 ALA 11 3HB ALA 11 -7.675 -12.266 -0.862 77 H VAL 12 H VAL 12 -8.622 -9.381 -3.411 78 HA VAL 12 HA VAL 12 -8.419 -10.215 -6.203 79 HB VAL 12 HB VAL 12 -9.211 -7.493 -5.133 80 HG11 VAL 12 1HG1 VAL 12 -8.190 -7.335 -7.334 81 HG12 VAL 12 2HG1 VAL 12 -9.918 -7.001 -7.423 82 HG13 VAL 12 3HG1 VAL 12 -9.295 -8.561 -7.957 83 HG21 VAL 12 3HG2 VAL 12 -10.888 -9.186 -4.616 84 HG22 VAL 12 1HG2 VAL 12 -10.922 -9.681 -6.309 85 HG23 VAL 12 2HG2 VAL 12 -11.477 -8.069 -5.848 86 H VAL 13 H VAL 13 -6.361 -10.377 -6.741 87 HA VAL 13 HA VAL 13 -4.419 -8.362 -5.893 88 HB VAL 13 HB VAL 13 -4.010 -10.716 -7.754 89 HG11 VAL 13 1HG1 VAL 13 -2.003 -9.072 -6.215 90 HG12 VAL 13 2HG1 VAL 13 -2.285 -9.031 -7.951 91 HG13 VAL 13 3HG1 VAL 13 -1.629 -10.485 -7.202 92 HG21 VAL 13 3HG2 VAL 13 -3.497 -10.657 -4.773 93 HG22 VAL 13 1HG2 VAL 13 -3.105 -11.975 -5.872 94 HG23 VAL 13 2HG2 VAL 13 -4.789 -11.524 -5.574 95 H GLN 14 H GLN 14 -4.113 -6.640 -7.133 96 HA GLN 14 HA GLN 14 -4.822 -6.760 -9.972 97 HB2 GLN 14 2HB GLN 14 -6.133 -4.670 -9.739 98 HB3 GLN 14 1HB GLN 14 -6.831 -5.996 -8.827 99 HG2 GLN 14 2HG GLN 14 -6.966 -4.450 -7.144 100 HG3 GLN 14 1HG GLN 14 -5.274 -4.856 -6.931 101 HE21 GLN 14 1HE2 GLN 14 -3.710 -3.420 -7.662 102 HE22 GLN 14 2HE2 GLN 14 -4.100 -1.770 -8.011 103 H ARG 15 H ARG 15 -3.876 -4.987 -11.208 104 HA ARG 15 HA ARG 15 -1.521 -3.919 -9.852 105 HB2 ARG 15 2HB ARG 15 -0.418 -3.803 -11.973 106 HB3 ARG 15 1HB ARG 15 -1.141 -5.388 -11.865 107 HG2 ARG 15 2HG ARG 15 -1.584 -4.827 -14.058 108 HG3 ARG 15 1HG ARG 15 -3.056 -4.295 -13.264 109 HD2 ARG 15 2HD ARG 15 -2.344 -2.018 -13.219 110 HD3 ARG 15 1HD ARG 15 -0.726 -2.447 -13.757 111 HE ARG 15 HE ARG 15 -2.155 -3.274 -15.801 112 HH11 ARG 15 1HH1 ARG 15 -2.649 -0.277 -13.956 113 HH12 ARG 15 2HH1 ARG 15 -2.914 0.685 -15.328 114 HH21 ARG 15 1HH2 ARG 15 -2.552 -1.898 -17.695 115 HH22 ARG 15 2HH2 ARG 15 -2.846 -0.248 -17.497 116 H VAL 16 H VAL 16 -1.039 -1.795 -9.971 117 HA VAL 16 HA VAL 16 -3.185 -0.053 -10.937 118 HB VAL 16 HB VAL 16 -3.010 -0.460 -8.429 119 HG11 VAL 16 1HG1 VAL 16 -0.778 -0.513 -8.059 120 HG12 VAL 16 2HG1 VAL 16 -1.460 0.838 -7.138 121 HG13 VAL 16 3HG1 VAL 16 -0.570 1.139 -8.639 122 HG21 VAL 16 3HG2 VAL 16 -3.545 1.835 -7.832 123 HG22 VAL 16 1HG2 VAL 16 -4.305 1.375 -9.348 124 HG23 VAL 16 2HG2 VAL 16 -2.859 2.389 -9.355 125 H GLU 17 H GLU 17 -2.376 2.137 -11.534 126 HA GLU 17 HA GLU 17 0.495 2.247 -11.880 127 HB2 GLU 17 2HB GLU 17 -0.340 1.274 -13.955 128 HB3 GLU 17 1HB GLU 17 -1.492 2.583 -14.133 129 HG2 GLU 17 2HG GLU 17 0.235 4.153 -14.599 130 HG3 GLU 17 1HG GLU 17 1.466 3.003 -14.086 131 H ILE 18 H ILE 18 1.035 3.844 -10.791 132 HA ILE 18 HA ILE 18 -0.641 6.220 -10.669 133 HB ILE 18 HB ILE 18 1.509 5.127 -8.897 134 HG12 ILE 18 2HG1 ILE 18 -0.109 6.166 -7.123 135 HG13 ILE 18 1HG1 ILE 18 -1.188 6.321 -8.503 136 HG21 ILE 18 1HG2 ILE 18 1.831 7.236 -7.709 137 HG22 ILE 18 2HG2 ILE 18 0.943 8.073 -8.977 138 HG23 ILE 18 3HG2 ILE 18 2.462 7.263 -9.353 139 HD11 ILE 18 3HD1 ILE 18 -1.632 4.363 -7.134 140 HD12 ILE 18 1HD1 ILE 18 -0.024 3.776 -7.491 141 HD13 ILE 18 2HD1 ILE 18 -1.209 3.927 -8.802 142 H HIS 19 H HIS 19 -0.167 7.992 -11.676 143 HA HIS 19 HA HIS 19 2.294 8.168 -13.223 144 HB2 HIS 19 2HB HIS 19 -0.321 9.552 -13.237 145 HB3 HIS 19 1HB HIS 19 1.034 10.341 -14.077 146 HD1 HIS 19 1HD HIS 19 -0.713 10.101 -16.127 147 HD2 HIS 19 2HD HIS 19 0.785 6.567 -14.585 148 HE1 HIS 19 1HE HIS 19 -1.246 8.315 -17.837 149 H LYS 20 H LYS 20 3.487 10.161 -13.181 150 HA LYS 20 HA LYS 20 4.380 11.025 -10.747 151 HB2 LYS 20 2HB LYS 20 5.268 13.061 -12.071 152 HB3 LYS 20 1HB LYS 20 5.824 11.450 -12.501 153 HG2 LYS 20 2HG LYS 20 4.295 11.418 -14.398 154 HG3 LYS 20 1HG LYS 20 3.666 13.001 -13.939 155 HD2 LYS 20 2HD LYS 20 5.747 14.058 -14.409 156 HD3 LYS 20 1HD LYS 20 6.576 12.511 -14.551 157 HE2 LYS 20 2HE LYS 20 6.170 13.572 -16.741 158 HE3 LYS 20 1HE LYS 20 5.380 12.010 -16.598 159 HZ1 LYS 20 3HZ LYS 20 3.273 13.107 -16.285 160 HZ2 LYS 20 1HZ LYS 20 4.001 13.727 -17.652 161 HZ3 LYS 20 2HZ LYS 20 3.982 14.624 -16.238 162 H LEU 21 H LEU 21 3.690 12.243 -9.168 163 HA LEU 21 HA LEU 21 1.838 14.471 -9.697 164 HB2 LEU 21 2HB LEU 21 0.647 12.660 -8.570 165 HB3 LEU 21 1HB LEU 21 1.899 12.565 -7.363 166 HG LEU 21 HG LEU 21 1.362 14.905 -6.692 167 HD11 LEU 21 1HD1 LEU 21 0.216 15.643 -8.682 168 HD12 LEU 21 2HD1 LEU 21 -0.828 15.815 -7.271 169 HD13 LEU 21 3HD1 LEU 21 -1.076 14.477 -8.395 170 HD21 LEU 21 3HD2 LEU 21 -0.567 14.306 -5.351 171 HD22 LEU 21 1HD2 LEU 21 0.599 12.987 -5.405 172 HD23 LEU 21 2HD2 LEU 21 -0.873 12.915 -6.385 173 H ARG 22 H ARG 22 2.569 16.404 -8.890 174 HA ARG 22 HA ARG 22 4.951 16.364 -7.211 175 HB2 ARG 22 2HB ARG 22 3.500 18.631 -8.585 176 HB3 ARG 22 1HB ARG 22 4.901 18.850 -7.549 177 HG2 ARG 22 2HG ARG 22 6.246 17.518 -9.062 178 HG3 ARG 22 1HG ARG 22 4.839 17.254 -10.092 179 HD2 ARG 22 2HD ARG 22 4.694 19.637 -10.532 180 HD3 ARG 22 1HD ARG 22 6.043 19.939 -9.439 181 HE ARG 22 HE ARG 22 6.785 18.082 -11.392 182 HH11 ARG 22 1HH1 ARG 22 6.094 21.572 -11.140 183 HH12 ARG 22 2HH1 ARG 22 7.198 21.980 -12.375 184 HH21 ARG 22 1HH2 ARG 22 8.249 18.707 -13.079 185 HH22 ARG 22 2HH2 ARG 22 8.404 20.351 -13.503 186 H GLN 23 H GLN 23 4.893 16.758 -5.016 187 HA GLN 23 HA GLN 23 2.502 18.085 -4.038 188 HB2 GLN 23 2HB GLN 23 3.889 15.740 -2.772 189 HB3 GLN 23 1HB GLN 23 2.554 16.631 -2.032 190 HG2 GLN 23 2HG GLN 23 1.288 15.888 -4.215 191 HG3 GLN 23 1HG GLN 23 2.560 14.669 -4.271 192 HE21 GLN 23 1HE2 GLN 23 2.640 13.107 -2.631 193 HE22 GLN 23 2HE2 GLN 23 1.283 12.799 -1.602 194 H GLY 24 H GLY 24 3.336 19.940 -3.523 195 HA2 GLY 24 2HA GLY 24 4.510 21.442 -2.260 196 HA3 GLY 24 1HA GLY 24 5.260 20.087 -1.423 197 H GLU 25 H GLU 25 7.288 19.682 -1.834 198 HA GLU 25 HA GLU 25 8.520 20.945 -4.199 199 HB2 GLU 25 2HB GLU 25 9.735 20.314 -1.509 200 HB3 GLU 25 1HB GLU 25 10.574 21.058 -2.864 201 HG2 GLU 25 2HG GLU 25 9.122 22.974 -2.747 202 HG3 GLU 25 1HG GLU 25 8.204 22.234 -1.435 203 H ASN 26 H ASN 26 7.299 18.211 -3.660 204 HA ASN 26 HA ASN 26 9.663 16.594 -4.415 205 HB2 ASN 26 2HB ASN 26 7.392 15.281 -3.002 206 HB3 ASN 26 1HB ASN 26 9.096 14.861 -3.006 207 HD21 ASN 26 1HD2 ASN 26 6.629 16.781 -1.667 208 HD22 ASN 26 2HD2 ASN 26 7.412 17.317 -0.261 209 H LEU 27 H LEU 27 8.879 14.529 -5.361 210 HA LEU 27 HA LEU 27 6.437 14.832 -6.937 211 HB2 LEU 27 2HB LEU 27 8.731 14.957 -8.163 212 HB3 LEU 27 1HB LEU 27 8.987 13.320 -7.636 213 HG LEU 27 HG LEU 27 8.388 13.409 -9.977 214 HD11 LEU 27 1HD1 LEU 27 6.604 11.778 -10.042 215 HD12 LEU 27 2HD1 LEU 27 6.178 12.167 -8.376 216 HD13 LEU 27 3HD1 LEU 27 7.743 11.434 -8.733 217 HD21 LEU 27 3HD2 LEU 27 7.071 15.446 -9.938 218 HD22 LEU 27 1HD2 LEU 27 5.782 14.611 -9.076 219 HD23 LEU 27 2HD2 LEU 27 6.199 14.138 -10.726 220 H ILE 28 H ILE 28 5.017 13.333 -6.117 221 HA ILE 28 HA ILE 28 6.198 10.968 -4.852 222 HB ILE 28 HB ILE 28 3.703 12.139 -3.689 223 HG12 ILE 28 2HG1 ILE 28 6.486 13.302 -3.225 224 HG13 ILE 28 1HG1 ILE 28 5.017 14.077 -3.735 225 HG21 ILE 28 1HG2 ILE 28 4.608 11.157 -1.619 226 HG22 ILE 28 2HG2 ILE 28 6.058 10.667 -2.496 227 HG23 ILE 28 3HG2 ILE 28 4.494 9.971 -2.920 228 HD11 ILE 28 3HD1 ILE 28 4.012 13.840 -1.606 229 HD12 ILE 28 1HD1 ILE 28 5.590 14.611 -1.432 230 HD13 ILE 28 2HD1 ILE 28 5.388 12.903 -1.006 231 H LEU 29 H LEU 29 4.623 9.253 -4.664 232 HA LEU 29 HA LEU 29 2.977 8.972 -6.993 233 HB2 LEU 29 2HB LEU 29 3.799 7.243 -4.678 234 HB3 LEU 29 1HB LEU 29 2.560 6.715 -5.788 235 HG LEU 29 HG LEU 29 4.151 6.646 -7.613 236 HD11 LEU 29 1HD1 LEU 29 5.615 8.522 -7.035 237 HD12 LEU 29 2HD1 LEU 29 6.550 7.053 -7.316 238 HD13 LEU 29 3HD1 LEU 29 6.252 7.609 -5.668 239 HD21 LEU 29 3HD2 LEU 29 5.690 4.891 -6.726 240 HD22 LEU 29 1HD2 LEU 29 3.992 4.668 -6.283 241 HD23 LEU 29 2HD2 LEU 29 5.133 5.317 -5.112 242 H GLY 30 H GLY 30 2.544 10.494 -4.266 243 HA2 GLY 30 2HA GLY 30 0.558 11.585 -3.602 244 HA3 GLY 30 1HA GLY 30 -0.331 10.360 -4.485 245 H PHE 31 H PHE 31 0.650 8.049 -3.308 246 HA PHE 31 HA PHE 31 -0.863 8.173 -0.867 247 HB2 PHE 31 2HB PHE 31 -1.159 5.835 -1.134 248 HB3 PHE 31 1HB PHE 31 -1.339 6.610 -2.653 249 HD1 PHE 31 2HD PHE 31 1.104 4.529 -0.816 250 HD2 PHE 31 1HD PHE 31 -0.035 6.197 -4.549 251 HE1 PHE 31 2HE PHE 31 2.758 3.100 -1.948 252 HE2 PHE 31 1HE PHE 31 1.623 4.777 -5.691 253 HZ PHE 31 HZ PHE 31 3.017 3.225 -4.391 254 H SER 32 H SER 32 -0.145 6.834 1.021 255 HA SER 32 HA SER 32 2.748 7.092 1.580 256 HB2 SER 32 2HB SER 32 2.031 7.204 3.908 257 HB3 SER 32 1HB SER 32 1.233 8.481 2.953 258 HG SER 32 HG SER 32 0.159 6.392 4.327 259 H ILE 33 H ILE 33 3.027 5.469 3.743 260 HA ILE 33 HA ILE 33 1.713 2.964 3.125 261 HB ILE 33 HB ILE 33 3.635 1.623 3.097 262 HG12 ILE 33 2HG1 ILE 33 5.308 4.036 3.920 263 HG13 ILE 33 1HG1 ILE 33 4.922 2.605 4.884 264 HG21 ILE 33 1HG2 ILE 33 3.293 2.704 0.959 265 HG22 ILE 33 2HG2 ILE 33 5.038 2.545 1.241 266 HG23 ILE 33 3HG2 ILE 33 4.254 4.084 1.486 267 HD11 ILE 33 3HD1 ILE 33 7.145 2.354 4.146 268 HD12 ILE 33 1HD1 ILE 33 6.689 2.696 2.462 269 HD13 ILE 33 2HD1 ILE 33 6.096 1.246 3.244 270 H GLY 34 H GLY 34 2.061 1.323 4.923 271 HA2 GLY 34 2HA GLY 34 2.195 2.719 7.491 272 HA3 GLY 34 1HA GLY 34 1.274 1.250 7.172 273 H GLY 35 H GLY 35 3.346 -0.033 5.647 274 HA2 GLY 35 2HA GLY 35 5.796 -0.497 6.295 275 HA3 GLY 35 1HA GLY 35 5.180 -0.460 7.878 276 H GLY 36 H GLY 36 6.536 -2.532 6.389 277 HA2 GLY 36 2HA GLY 36 4.498 -4.633 6.437 278 HA3 GLY 36 1HA GLY 36 6.045 -4.752 5.618 279 H ILE 37 H ILE 37 7.510 -5.958 6.562 280 HA ILE 37 HA ILE 37 6.956 -7.306 9.023 281 HB ILE 37 HB ILE 37 8.879 -8.625 8.666 282 HG12 ILE 37 2HG1 ILE 37 10.407 -6.663 8.317 283 HG13 ILE 37 1HG1 ILE 37 10.780 -8.034 7.241 284 HG21 ILE 37 1HG2 ILE 37 8.677 -9.339 6.343 285 HG22 ILE 37 2HG2 ILE 37 7.835 -7.847 5.940 286 HG23 ILE 37 3HG2 ILE 37 7.088 -9.005 7.036 287 HD11 ILE 37 3HD1 ILE 37 9.533 -6.708 5.503 288 HD12 ILE 37 1HD1 ILE 37 11.011 -5.951 6.114 289 HD13 ILE 37 2HD1 ILE 37 9.459 -5.409 6.704 290 H ASP 38 H ASP 38 8.313 -4.493 8.403 291 HA ASP 38 HA ASP 38 10.203 -4.310 10.593 292 HB2 ASP 38 2HB ASP 38 10.583 -3.007 8.538 293 HB3 ASP 38 1HB ASP 38 9.023 -2.248 8.718 294 H GLN 39 H GLN 39 6.841 -4.185 10.164 295 HA GLN 39 HA GLN 39 6.453 -2.608 12.620 296 HB2 GLN 39 2HB GLN 39 4.183 -3.187 10.728 297 HB3 GLN 39 1HB GLN 39 4.457 -1.752 11.683 298 HG2 GLN 39 2HG GLN 39 5.827 -2.464 9.198 299 HG3 GLN 39 1HG GLN 39 4.581 -1.241 9.400 300 HE21 GLN 39 1HE2 GLN 39 7.389 -1.372 8.621 301 HE22 GLN 39 2HE2 GLN 39 8.231 -0.181 9.523 302 H ASP 40 H ASP 40 4.107 -3.517 13.479 303 HA ASP 40 HA ASP 40 4.338 -6.465 13.426 304 HB2 ASP 40 2HB ASP 40 4.858 -5.152 15.750 305 HB3 ASP 40 1HB ASP 40 3.174 -4.982 15.675 306 HA PRO 41 HA PRO 41 0.344 -6.125 11.607 307 HB2 PRO 41 2HB PRO 41 -0.465 -8.702 12.245 308 HB3 PRO 41 1HB PRO 41 0.420 -8.230 10.789 309 HG2 PRO 41 2HG PRO 41 1.424 -9.397 13.338 310 HG3 PRO 41 1HG PRO 41 1.966 -9.696 11.679 311 HD2 PRO 41 2HD PRO 41 3.353 -8.165 13.354 312 HD3 PRO 41 1HD PRO 41 3.239 -7.759 11.625 313 H SER 42 H SER 42 0.834 -7.190 14.895 314 HA SER 42 HA SER 42 -1.964 -7.318 15.514 315 HB2 SER 42 2HB SER 42 -0.139 -8.704 16.577 316 HB3 SER 42 1HB SER 42 0.390 -7.245 17.400 317 HG SER 42 HG SER 42 -1.790 -7.159 18.302 318 H GLN 43 H GLN 43 0.408 -4.863 15.377 319 HA GLN 43 HA GLN 43 -1.384 -3.024 16.811 320 HB2 GLN 43 2HB GLN 43 0.668 -1.710 17.398 321 HB3 GLN 43 1HB GLN 43 0.642 -3.303 18.138 322 HG2 GLN 43 2HG GLN 43 1.979 -3.570 15.754 323 HG3 GLN 43 1HG GLN 43 2.458 -1.984 16.332 324 HE21 GLN 43 1HE2 GLN 43 1.610 -4.783 18.286 325 HE22 GLN 43 2HE2 GLN 43 3.137 -4.945 19.050 326 H ASN 44 H ASN 44 -0.789 -3.923 13.966 327 HA ASN 44 HA ASN 44 -0.356 -1.293 12.752 328 HB2 ASN 44 2HB ASN 44 0.090 -4.053 11.856 329 HB3 ASN 44 1HB ASN 44 -0.440 -2.884 10.648 330 HD21 ASN 44 1HD2 ASN 44 1.480 -1.933 13.374 331 HD22 ASN 44 2HD2 ASN 44 2.924 -1.618 12.505 332 HA PRO 45 HA PRO 45 -4.528 -0.717 11.907 333 HB2 PRO 45 2HB PRO 45 -4.418 0.830 9.694 334 HB3 PRO 45 1HB PRO 45 -3.899 1.388 11.294 335 HG2 PRO 45 2HG PRO 45 -2.220 0.275 9.069 336 HG3 PRO 45 1HG PRO 45 -1.970 1.784 9.990 337 HD2 PRO 45 2HD PRO 45 -0.665 -0.457 10.555 338 HD3 PRO 45 1HD PRO 45 -1.248 0.630 11.840 339 H PHE 46 H PHE 46 -2.754 -1.519 8.894 340 HA PHE 46 HA PHE 46 -5.191 -2.932 8.054 341 HB2 PHE 46 2HB PHE 46 -3.029 -1.769 6.286 342 HB3 PHE 46 1HB PHE 46 -4.545 -2.484 5.751 343 HD1 PHE 46 2HD PHE 46 -6.713 -1.321 6.315 344 HD2 PHE 46 1HD PHE 46 -2.915 0.486 6.956 345 HE1 PHE 46 2HE PHE 46 -7.781 0.901 6.457 346 HE2 PHE 46 1HE PHE 46 -3.980 2.688 7.098 347 HZ PHE 46 HZ PHE 46 -6.381 2.908 6.847 348 H SER 47 H SER 47 -2.661 -3.685 9.577 349 HA SER 47 HA SER 47 -2.074 -6.029 7.943 350 HB2 SER 47 2HB SER 47 -0.194 -4.405 8.758 351 HB3 SER 47 1HB SER 47 -0.538 -5.085 10.313 352 HG SER 47 HG SER 47 -0.093 -6.966 8.307 353 H GLU 48 H GLU 48 -3.787 -4.896 10.567 354 HA GLU 48 HA GLU 48 -3.543 -7.146 12.310 355 HB2 GLU 48 2HB GLU 48 -5.323 -6.111 13.630 356 HB3 GLU 48 1HB GLU 48 -4.053 -4.958 13.236 357 HG2 GLU 48 2HG GLU 48 -5.427 -3.976 11.522 358 HG3 GLU 48 1HG GLU 48 -6.670 -5.198 11.772 359 H ASP 49 H ASP 49 -5.209 -6.613 9.501 360 HA ASP 49 HA ASP 49 -7.694 -7.831 9.772 361 HB2 ASP 49 2HB ASP 49 -7.078 -6.757 7.703 362 HB3 ASP 49 1HB ASP 49 -5.770 -7.904 7.434 363 H LYS 50 H LYS 50 -4.575 -9.215 9.174 364 HA LYS 50 HA LYS 50 -5.360 -11.786 10.366 365 HB2 LYS 50 2HB LYS 50 -3.581 -11.480 7.904 366 HB3 LYS 50 1HB LYS 50 -4.121 -12.994 8.634 367 HG2 LYS 50 2HG LYS 50 -6.364 -12.528 7.815 368 HG3 LYS 50 1HG LYS 50 -5.796 -11.005 7.124 369 HD2 LYS 50 2HD LYS 50 -4.053 -12.462 5.908 370 HD3 LYS 50 1HD LYS 50 -5.109 -13.813 6.322 371 HE2 LYS 50 2HE LYS 50 -5.618 -12.994 4.100 372 HE3 LYS 50 1HE LYS 50 -6.971 -12.670 5.187 373 HZ1 LYS 50 3HZ LYS 50 -6.364 -10.415 5.348 374 HZ2 LYS 50 1HZ LYS 50 -6.344 -10.779 3.702 375 HZ3 LYS 50 2HZ LYS 50 -4.882 -10.642 4.570 376 H THR 51 H THR 51 -2.384 -12.041 9.189 377 HA THR 51 HA THR 51 -1.032 -10.198 10.888 378 HB THR 51 HB THR 51 -1.252 -12.130 12.284 379 HG1 THR 51 1HG THR 51 0.604 -11.981 12.890 380 HG21 THR 51 3HG2 THR 51 -0.572 -14.406 11.640 381 HG22 THR 51 1HG2 THR 51 -0.225 -13.812 10.004 382 HG23 THR 51 2HG2 THR 51 -1.873 -13.762 10.630 383 H ASP 52 H ASP 52 -1.803 -10.562 8.153 384 HA ASP 52 HA ASP 52 0.500 -11.484 6.753 385 HB2 ASP 52 2HB ASP 52 -0.824 -10.947 4.689 386 HB3 ASP 52 1HB ASP 52 -1.624 -12.076 5.752 387 H LYS 53 H LYS 53 2.130 -10.293 6.868 388 HA LYS 53 HA LYS 53 1.914 -7.446 7.288 389 HB2 LYS 53 2HB LYS 53 4.397 -9.087 6.931 390 HB3 LYS 53 1HB LYS 53 4.289 -7.459 7.556 391 HG2 LYS 53 2HG LYS 53 2.979 -8.510 9.533 392 HG3 LYS 53 1HG LYS 53 3.550 -10.051 8.945 393 HD2 LYS 53 2HD LYS 53 5.872 -9.071 8.809 394 HD3 LYS 53 1HD LYS 53 5.193 -7.660 9.640 395 HE2 LYS 53 2HE LYS 53 6.406 -8.982 11.103 396 HE3 LYS 53 1HE LYS 53 4.710 -9.075 11.577 397 HZ1 LYS 53 3HZ LYS 53 4.640 -11.282 10.389 398 HZ2 LYS 53 1HZ LYS 53 5.688 -11.261 11.695 399 HZ3 LYS 53 2HZ LYS 53 6.298 -11.164 10.146 400 H GLY 54 H GLY 54 3.566 -6.104 6.037 401 HA2 GLY 54 2HA GLY 54 4.735 -6.367 3.708 402 HA3 GLY 54 1HA GLY 54 3.051 -6.601 3.220 403 H ILE 55 H ILE 55 4.466 -4.492 2.222 404 HA ILE 55 HA ILE 55 3.823 -2.194 3.776 405 HB ILE 55 HB ILE 55 4.894 -2.494 0.951 406 HG12 ILE 55 2HG1 ILE 55 6.371 -3.326 2.768 407 HG13 ILE 55 1HG1 ILE 55 7.045 -1.971 1.880 408 HG21 ILE 55 1HG2 ILE 55 4.582 -0.062 2.689 409 HG22 ILE 55 2HG2 ILE 55 3.744 -0.374 1.174 410 HG23 ILE 55 3HG2 ILE 55 5.487 -0.089 1.175 411 HD11 ILE 55 3HD1 ILE 55 5.665 -1.756 4.518 412 HD12 ILE 55 1HD1 ILE 55 6.515 -0.489 3.647 413 HD13 ILE 55 2HD1 ILE 55 7.423 -1.857 4.293 414 H TYR 56 H TYR 56 2.058 -1.033 3.588 415 HA TYR 56 HA TYR 56 0.316 -1.372 1.308 416 HB2 TYR 56 2HB TYR 56 -1.615 -1.389 2.985 417 HB3 TYR 56 1HB TYR 56 -0.697 -2.882 2.815 418 HD1 TYR 56 1HD TYR 56 -1.435 -0.032 4.976 419 HD2 TYR 56 2HD TYR 56 0.709 -3.626 4.530 420 HE1 TYR 56 1HE TYR 56 -1.050 -0.100 7.387 421 HE2 TYR 56 2HE TYR 56 1.132 -3.760 6.797 422 HH TYR 56 HH TYR 56 1.108 -2.222 8.867 423 H VAL 57 H VAL 57 -1.313 0.284 1.240 424 HA VAL 57 HA VAL 57 -0.126 2.793 1.888 425 HB VAL 57 HB VAL 57 -2.656 2.092 0.414 426 HG11 VAL 57 1HG1 VAL 57 -1.128 4.658 0.596 427 HG12 VAL 57 2HG1 VAL 57 -2.727 4.328 1.268 428 HG13 VAL 57 3HG1 VAL 57 -2.487 4.344 -0.481 429 HG21 VAL 57 3HG2 VAL 57 -1.293 2.678 -1.585 430 HG22 VAL 57 1HG2 VAL 57 -0.845 1.185 -0.750 431 HG23 VAL 57 2HG2 VAL 57 0.122 2.642 -0.528 432 H THR 58 H THR 58 -0.738 4.029 3.436 433 HA THR 58 HA THR 58 -3.023 3.277 5.055 434 HB THR 58 HB THR 58 -1.876 4.954 6.659 435 HG1 THR 58 1HG THR 58 0.253 5.273 6.302 436 HG21 THR 58 3HG2 THR 58 -0.556 2.357 5.881 437 HG22 THR 58 1HG2 THR 58 -1.908 2.540 6.993 438 HG23 THR 58 2HG2 THR 58 -0.321 3.194 7.419 439 H ARG 59 H ARG 59 -1.818 5.716 2.922 440 HA ARG 59 HA ARG 59 -4.307 7.254 3.089 441 HB2 ARG 59 2HB ARG 59 -1.518 8.065 3.413 442 HB3 ARG 59 1HB ARG 59 -2.680 9.215 2.783 443 HG2 ARG 59 2HG ARG 59 -2.489 7.815 5.491 444 HG3 ARG 59 1HG ARG 59 -2.216 9.530 5.210 445 HD2 ARG 59 2HD ARG 59 -4.524 9.914 4.849 446 HD3 ARG 59 1HD ARG 59 -4.876 8.184 4.766 447 HE ARG 59 HE ARG 59 -3.684 8.634 7.180 448 HH11 ARG 59 1HH1 ARG 59 -6.629 9.814 5.611 449 HH12 ARG 59 2HH1 ARG 59 -7.571 9.754 7.014 450 HH21 ARG 59 1HH2 ARG 59 -4.979 8.558 9.127 451 HH22 ARG 59 2HH2 ARG 59 -6.623 9.029 9.059 452 H VAL 60 H VAL 60 -4.956 7.584 0.760 453 HA VAL 60 HA VAL 60 -2.810 7.381 -1.004 454 HB VAL 60 HB VAL 60 -4.448 7.226 -2.539 455 HG11 VAL 60 1HG1 VAL 60 -5.451 4.950 -1.969 456 HG12 VAL 60 2HG1 VAL 60 -4.717 5.160 -0.366 457 HG13 VAL 60 3HG1 VAL 60 -3.713 5.121 -1.819 458 HG21 VAL 60 3HG2 VAL 60 -6.236 8.424 -1.739 459 HG22 VAL 60 1HG2 VAL 60 -6.533 7.267 -0.418 460 HG23 VAL 60 2HG2 VAL 60 -6.812 6.809 -2.135 461 H SER 61 H SER 61 -3.459 8.811 -2.921 462 HA SER 61 HA SER 61 -3.430 11.539 -2.050 463 HB2 SER 61 2HB SER 61 -2.218 10.285 -4.019 464 HB3 SER 61 1HB SER 61 -3.746 10.553 -4.849 465 HG SER 61 HG SER 61 -3.381 12.876 -4.206 466 H GLU 62 H GLU 62 -5.331 12.540 -1.637 467 HA GLU 62 HA GLU 62 -7.907 11.430 -1.953 468 HB2 GLU 62 2HB GLU 62 -8.689 13.584 -1.070 469 HB3 GLU 62 1HB GLU 62 -7.336 12.884 -0.177 470 HG2 GLU 62 2HG GLU 62 -5.797 14.408 -1.067 471 HG3 GLU 62 1HG GLU 62 -6.941 14.958 -2.291 472 H GLY 63 H GLY 63 -6.140 12.885 -4.219 473 HA2 GLY 63 2HA GLY 63 -8.241 12.922 -6.134 474 HA3 GLY 63 1HA GLY 63 -7.717 14.561 -5.718 475 H GLY 64 H GLY 64 -5.774 11.677 -5.722 476 HA2 GLY 64 2HA GLY 64 -4.102 12.973 -7.771 477 HA3 GLY 64 1HA GLY 64 -3.461 12.175 -6.331 478 HA PRO 65 HA PRO 65 -3.411 9.440 -10.069 479 HB2 PRO 65 2HB PRO 65 -0.964 8.368 -9.592 480 HB3 PRO 65 1HB PRO 65 -1.160 9.891 -10.449 481 HG2 PRO 65 2HG PRO 65 -0.456 9.420 -7.594 482 HG3 PRO 65 1HG PRO 65 0.195 10.608 -8.730 483 HD2 PRO 65 2HD PRO 65 -1.645 11.179 -6.847 484 HD3 PRO 65 1HD PRO 65 -1.584 12.064 -8.399 485 H ALA 66 H ALA 66 -2.639 8.852 -6.787 486 HA ALA 66 HA ALA 66 -2.634 6.066 -6.755 487 HB1 ALA 66 1HB ALA 66 -2.988 6.206 -4.354 488 HB2 ALA 66 2HB ALA 66 -3.502 7.887 -4.520 489 HB3 ALA 66 3HB ALA 66 -1.834 7.438 -4.873 490 H GLU 67 H GLU 67 -5.372 8.145 -5.669 491 HA GLU 67 HA GLU 67 -7.028 5.859 -5.807 492 HB2 GLU 67 2HB GLU 67 -8.955 7.276 -5.347 493 HB3 GLU 67 1HB GLU 67 -7.636 7.609 -4.246 494 HG2 GLU 67 2HG GLU 67 -7.199 9.667 -5.198 495 HG3 GLU 67 1HG GLU 67 -8.083 9.316 -6.675 496 H ILE 68 H ILE 68 -6.255 8.416 -8.069 497 HA ILE 68 HA ILE 68 -8.300 8.126 -9.928 498 HB ILE 68 HB ILE 68 -5.414 8.917 -10.209 499 HG12 ILE 68 2HG1 ILE 68 -6.971 10.522 -9.180 500 HG13 ILE 68 1HG1 ILE 68 -6.294 11.132 -10.684 501 HG21 ILE 68 1HG2 ILE 68 -5.898 7.823 -12.306 502 HG22 ILE 68 2HG2 ILE 68 -5.755 9.565 -12.543 503 HG23 ILE 68 3HG2 ILE 68 -7.349 8.807 -12.510 504 HD11 ILE 68 3HD1 ILE 68 -8.380 10.584 -11.834 505 HD12 ILE 68 1HD1 ILE 68 -8.648 11.685 -10.486 506 HD13 ILE 68 2HD1 ILE 68 -9.062 9.979 -10.326 507 H ALA 69 H ALA 69 -5.256 6.344 -9.677 508 HA ALA 69 HA ALA 69 -5.868 4.680 -11.907 509 HB1 ALA 69 1HB ALA 69 -3.574 5.150 -11.244 510 HB2 ALA 69 2HB ALA 69 -3.903 3.413 -11.213 511 HB3 ALA 69 3HB ALA 69 -3.851 4.335 -9.709 512 H GLY 70 H GLY 70 -5.924 4.248 -8.406 513 HA2 GLY 70 2HA GLY 70 -8.123 3.011 -7.860 514 HA3 GLY 70 1HA GLY 70 -7.402 1.726 -8.822 515 H LEU 71 H LEU 71 -5.185 3.536 -6.955 516 HA LEU 71 HA LEU 71 -4.839 1.314 -5.195 517 HB2 LEU 71 2HB LEU 71 -2.892 2.496 -6.110 518 HB3 LEU 71 1HB LEU 71 -3.435 3.984 -5.388 519 HG LEU 71 HG LEU 71 -2.561 3.461 -3.305 520 HD11 LEU 71 1HD1 LEU 71 -3.867 1.298 -3.030 521 HD12 LEU 71 2HD1 LEU 71 -2.184 1.062 -2.567 522 HD13 LEU 71 3HD1 LEU 71 -2.754 0.519 -4.145 523 HD21 LEU 71 3HD2 LEU 71 -0.795 3.480 -4.951 524 HD22 LEU 71 1HD2 LEU 71 -0.974 1.744 -5.186 525 HD23 LEU 71 2HD2 LEU 71 -0.429 2.369 -3.632 526 H GLN 72 H GLN 72 -5.781 1.038 -3.373 527 HA GLN 72 HA GLN 72 -7.241 3.306 -2.233 528 HB2 GLN 72 2HB GLN 72 -8.072 0.397 -2.334 529 HB3 GLN 72 1HB GLN 72 -8.978 1.712 -1.597 530 HG2 GLN 72 2HG GLN 72 -8.316 1.525 -4.522 531 HG3 GLN 72 1HG GLN 72 -9.839 1.009 -3.801 532 HE21 GLN 72 1HE2 GLN 72 -7.779 3.743 -4.434 533 HE22 GLN 72 2HE2 GLN 72 -9.008 4.935 -4.351 534 H ILE 73 H ILE 73 -7.105 3.493 -0.126 535 HA ILE 73 HA ILE 73 -4.933 2.618 1.379 536 HB ILE 73 HB ILE 73 -7.655 3.369 2.406 537 HG12 ILE 73 2HG1 ILE 73 -5.260 5.127 1.918 538 HG13 ILE 73 1HG1 ILE 73 -6.717 5.120 0.919 539 HG21 ILE 73 1HG2 ILE 73 -6.316 2.357 4.136 540 HG22 ILE 73 2HG2 ILE 73 -6.487 4.085 4.449 541 HG23 ILE 73 3HG2 ILE 73 -4.982 3.454 3.779 542 HD11 ILE 73 3HD1 ILE 73 -7.992 5.909 2.882 543 HD12 ILE 73 1HD1 ILE 73 -6.697 7.022 2.422 544 HD13 ILE 73 2HD1 ILE 73 -6.491 5.937 3.804 545 H GLY 74 H GLY 74 -4.557 0.866 2.664 546 HA2 GLY 74 2HA GLY 74 -5.099 -0.997 4.012 547 HA3 GLY 74 1HA GLY 74 -6.788 -0.792 3.563 548 H ASP 75 H ASP 75 -4.180 -0.898 1.374 549 HA ASP 75 HA ASP 75 -5.161 -3.267 0.015 550 HB2 ASP 75 2HB ASP 75 -3.682 -2.368 -1.728 551 HB3 ASP 75 1HB ASP 75 -4.623 -1.090 -1.029 552 H LYS 76 H LYS 76 -2.691 -4.059 -0.936 553 HA LYS 76 HA LYS 76 -0.779 -4.486 1.202 554 HB2 LYS 76 2HB LYS 76 -1.986 -6.819 -0.319 555 HB3 LYS 76 1HB LYS 76 -0.639 -6.922 0.785 556 HG2 LYS 76 2HG LYS 76 -3.429 -6.154 1.601 557 HG3 LYS 76 1HG LYS 76 -2.813 -7.801 1.618 558 HD2 LYS 76 2HD LYS 76 -1.041 -7.044 3.205 559 HD3 LYS 76 1HD LYS 76 -1.835 -5.461 3.261 560 HE2 LYS 76 2HE LYS 76 -3.874 -6.470 4.073 561 HE3 LYS 76 1HE LYS 76 -3.183 -8.078 3.906 562 HZ1 LYS 76 3HZ LYS 76 -1.456 -7.242 5.586 563 HZ2 LYS 76 1HZ LYS 76 -3.005 -7.648 6.086 564 HZ3 LYS 76 2HZ LYS 76 -2.623 -6.019 5.917 565 H ILE 77 H ILE 77 0.712 -3.349 -0.087 566 HA ILE 77 HA ILE 77 0.883 -3.784 -2.869 567 HB ILE 77 HB ILE 77 2.878 -2.456 -1.030 568 HG12 ILE 77 2HG1 ILE 77 0.884 -1.067 -2.738 569 HG13 ILE 77 1HG1 ILE 77 0.386 -1.689 -1.168 570 HG21 ILE 77 1HG2 ILE 77 3.714 -3.079 -3.270 571 HG22 ILE 77 2HG2 ILE 77 3.542 -1.328 -3.102 572 HG23 ILE 77 3HG2 ILE 77 2.337 -2.252 -3.998 573 HD11 ILE 77 3HD1 ILE 77 0.991 0.591 -1.069 574 HD12 ILE 77 1HD1 ILE 77 2.628 0.206 -1.675 575 HD13 ILE 77 2HD1 ILE 77 2.043 -0.463 -0.117 576 H MET 78 H MET 78 1.675 -5.408 -3.718 577 HA MET 78 HA MET 78 3.620 -7.081 -2.304 578 HB2 MET 78 2HB MET 78 1.791 -7.790 -4.590 579 HB3 MET 78 1HB MET 78 2.884 -8.883 -3.771 580 HG2 MET 78 2HG MET 78 0.554 -7.527 -2.410 581 HG3 MET 78 1HG MET 78 0.439 -9.090 -3.194 582 HE1 MET 78 3HE MET 78 1.349 -7.142 0.041 583 HE2 MET 78 1HE MET 78 3.009 -7.344 -0.509 584 HE3 MET 78 2HE MET 78 2.439 -8.219 0.904 585 H GLN 79 H GLN 79 3.377 -4.837 -4.826 586 HA GLN 79 HA GLN 79 6.037 -5.362 -5.653 587 HB2 GLN 79 2HB GLN 79 4.848 -7.178 -6.868 588 HB3 GLN 79 1HB GLN 79 3.849 -5.996 -7.656 589 HG2 GLN 79 2HG GLN 79 6.774 -5.753 -8.042 590 HG3 GLN 79 1HG GLN 79 5.939 -7.085 -8.840 591 HE21 GLN 79 1HE2 GLN 79 6.337 -3.653 -8.677 592 HE22 GLN 79 2HE2 GLN 79 5.427 -3.332 -10.123 593 H VAL 80 H VAL 80 6.991 -3.575 -6.382 594 HA VAL 80 HA VAL 80 5.305 -1.353 -7.313 595 HB VAL 80 HB VAL 80 7.418 -1.286 -5.124 596 HG11 VAL 80 1HG1 VAL 80 8.064 0.499 -6.632 597 HG12 VAL 80 2HG1 VAL 80 7.356 1.183 -5.170 598 HG13 VAL 80 3HG1 VAL 80 6.425 1.137 -6.659 599 HG21 VAL 80 3HG2 VAL 80 4.617 -0.187 -5.263 600 HG22 VAL 80 1HG2 VAL 80 5.731 -0.033 -3.907 601 HG23 VAL 80 2HG2 VAL 80 5.166 -1.622 -4.413 602 H ASN 81 H ASN 81 5.956 -0.975 -9.302 603 HA ASN 81 HA ASN 81 7.160 -0.781 -11.137 604 HB2 ASN 81 2HB ASN 81 7.814 1.212 -9.629 605 HB3 ASN 81 1HB ASN 81 9.356 0.399 -9.486 606 HD21 ASN 81 1HD2 ASN 81 7.126 1.701 -11.781 607 HD22 ASN 81 2HD2 ASN 81 8.227 1.954 -13.057 608 H GLY 82 H GLY 82 7.271 -3.162 -10.699 609 HA2 GLY 82 2HA GLY 82 8.174 -5.081 -11.106 610 HA3 GLY 82 1HA GLY 82 9.485 -4.227 -11.910 611 H TRP 83 H TRP 83 9.430 -3.366 -8.706 612 HA TRP 83 HA TRP 83 11.912 -4.799 -8.267 613 HB2 TRP 83 2HB TRP 83 12.519 -2.913 -7.145 614 HB3 TRP 83 1HB TRP 83 10.948 -2.321 -7.702 615 HD1 TRP 83 HD TRP 83 8.905 -2.433 -5.900 616 HE1 TRP 83 1HE TRP 83 8.961 -2.191 -3.312 617 HE3 TRP 83 3HE TRP 83 13.869 -3.306 -5.069 618 HZ2 TRP 83 2HZ TRP 83 10.793 -2.314 -1.279 619 HZ3 TRP 83 3HZ TRP 83 14.702 -3.214 -2.750 620 HH2 TRP 83 HH TRP 83 13.191 -2.731 -0.884 621 H ASP 84 H ASP 84 8.727 -5.402 -7.415 622 HA ASP 84 HA ASP 84 7.585 -6.651 -6.096 623 HB2 ASP 84 2HB ASP 84 9.476 -8.253 -6.917 624 HB3 ASP 84 1HB ASP 84 10.012 -8.155 -5.239 625 H MET 85 H MET 85 6.686 -6.219 -4.211 626 HA MET 85 HA MET 85 8.392 -5.095 -2.087 627 HB2 MET 85 2HB MET 85 7.291 -3.209 -3.188 628 HB3 MET 85 1HB MET 85 5.736 -4.001 -3.083 629 HG2 MET 85 2HG MET 85 5.576 -3.614 -0.761 630 HG3 MET 85 1HG MET 85 7.271 -3.187 -0.633 631 HE1 MET 85 3HE MET 85 7.409 0.443 -1.943 632 HE2 MET 85 1HE MET 85 7.818 -1.006 -2.861 633 HE3 MET 85 2HE MET 85 8.265 -0.888 -1.163 634 H THR 86 H THR 86 6.746 -7.612 -2.803 635 HA THR 86 HA THR 86 4.822 -8.335 -1.072 636 HB THR 86 HB THR 86 5.631 -9.694 -2.882 637 HG1 THR 86 1HG THR 86 5.488 -10.863 -0.332 638 HG21 THR 86 3HG2 THR 86 8.098 -10.147 -1.184 639 HG22 THR 86 1HG2 THR 86 7.977 -9.360 -2.761 640 HG23 THR 86 2HG2 THR 86 7.696 -11.092 -2.635 641 H MET 87 H MET 87 8.178 -7.890 -0.105 642 HA MET 87 HA MET 87 7.514 -8.078 2.657 643 HB2 MET 87 2HB MET 87 7.847 -10.502 2.157 644 HB3 MET 87 1HB MET 87 9.453 -10.132 1.545 645 HG2 MET 87 2HG MET 87 10.151 -9.379 3.749 646 HG3 MET 87 1HG MET 87 8.522 -9.647 4.360 647 HE1 MET 87 3HE MET 87 11.400 -13.029 3.051 648 HE2 MET 87 1HE MET 87 11.821 -11.318 3.041 649 HE3 MET 87 2HE MET 87 10.633 -11.941 1.897 650 H VAL 88 H VAL 88 8.251 -6.028 2.741 651 HA VAL 88 HA VAL 88 11.138 -5.687 2.794 652 HB VAL 88 HB VAL 88 10.468 -5.094 0.473 653 HG11 VAL 88 1HG1 VAL 88 8.178 -4.428 0.812 654 HG12 VAL 88 2HG1 VAL 88 9.089 -3.080 0.108 655 HG13 VAL 88 3HG1 VAL 88 8.704 -3.093 1.824 656 HG21 VAL 88 3HG2 VAL 88 11.440 -2.818 0.460 657 HG22 VAL 88 1HG2 VAL 88 12.341 -3.949 1.472 658 HG23 VAL 88 2HG2 VAL 88 11.254 -2.772 2.206 659 H THR 89 H THR 89 11.771 -3.961 4.068 660 HA THR 89 HA THR 89 10.044 -3.394 6.207 661 HB THR 89 HB THR 89 11.917 -1.799 6.858 662 HG1 THR 89 1HG THR 89 13.566 -3.110 5.044 663 HG21 THR 89 3HG2 THR 89 13.349 -3.585 7.623 664 HG22 THR 89 1HG2 THR 89 12.740 -4.655 6.351 665 HG23 THR 89 2HG2 THR 89 11.677 -4.155 7.641 666 H HIS 90 H HIS 90 9.438 -1.373 6.875 667 HA HIS 90 HA HIS 90 8.114 0.291 5.052 668 HB2 HIS 90 2HB HIS 90 7.678 0.131 7.471 669 HB3 HIS 90 1HB HIS 90 9.179 0.956 7.804 670 HD1 HIS 90 1HD HIS 90 5.652 1.553 7.562 671 HD2 HIS 90 2HD HIS 90 9.049 3.714 6.581 672 HE1 HIS 90 1HE HIS 90 4.861 3.804 7.167 673 H ASP 91 H ASP 91 11.214 0.491 6.624 674 HA ASP 91 HA ASP 91 12.058 3.027 5.858 675 HB2 ASP 91 2HB ASP 91 13.031 1.495 7.603 676 HB3 ASP 91 1HB ASP 91 13.750 0.594 6.276 677 H GLN 92 H GLN 92 12.624 -0.134 4.367 678 HA GLN 92 HA GLN 92 14.121 0.959 2.190 679 HB2 GLN 92 2HB GLN 92 13.360 -1.724 3.090 680 HB3 GLN 92 1HB GLN 92 13.301 -1.557 1.359 681 HG2 GLN 92 2HG GLN 92 15.465 -2.375 2.058 682 HG3 GLN 92 1HG GLN 92 15.608 -0.804 1.290 683 HE21 GLN 92 1HE2 GLN 92 14.607 -1.399 4.631 684 HE22 GLN 92 2HE2 GLN 92 15.981 -0.646 5.337 685 H ALA 93 H ALA 93 10.796 -0.003 2.656 686 HA ALA 93 HA ALA 93 9.960 0.136 -0.028 687 HB1 ALA 93 1HB ALA 93 7.705 0.214 0.871 688 HB2 ALA 93 2HB ALA 93 8.324 0.648 2.453 689 HB3 ALA 93 3HB ALA 93 8.686 -0.933 1.779 690 H ARG 94 H ARG 94 10.089 2.455 2.570 691 HA ARG 94 HA ARG 94 8.762 4.583 1.460 692 HB2 ARG 94 2HB ARG 94 10.949 4.327 3.423 693 HB3 ARG 94 1HB ARG 94 10.521 5.966 2.907 694 HG2 ARG 94 2HG ARG 94 8.640 3.942 4.083 695 HG3 ARG 94 1HG ARG 94 9.501 5.164 5.014 696 HD2 ARG 94 2HD ARG 94 7.666 5.752 2.724 697 HD3 ARG 94 1HD ARG 94 7.153 5.782 4.420 698 HE ARG 94 HE ARG 94 9.373 7.469 3.467 699 HH11 ARG 94 1HH1 ARG 94 6.161 7.278 5.040 700 HH12 ARG 94 2HH1 ARG 94 6.133 8.937 5.395 701 HH21 ARG 94 1HH2 ARG 94 9.257 9.780 4.006 702 HH22 ARG 94 2HH2 ARG 94 7.893 10.354 4.805 703 H LYS 95 H LYS 95 12.007 3.544 0.923 704 HA LYS 95 HA LYS 95 12.794 5.898 -0.549 705 HB2 LYS 95 2HB LYS 95 14.234 3.266 -0.144 706 HB3 LYS 95 1HB LYS 95 14.934 4.705 -0.858 707 HG2 LYS 95 2HG LYS 95 13.932 4.492 1.981 708 HG3 LYS 95 1HG LYS 95 15.611 4.321 1.492 709 HD2 LYS 95 2HD LYS 95 14.037 6.826 0.894 710 HD3 LYS 95 1HD LYS 95 14.828 6.584 2.442 711 HE2 LYS 95 2HE LYS 95 16.260 7.907 1.034 712 HE3 LYS 95 1HE LYS 95 16.997 6.328 1.249 713 HZ1 LYS 95 3HZ LYS 95 17.158 7.184 -1.001 714 HZ2 LYS 95 1HZ LYS 95 15.495 7.209 -1.172 715 HZ3 LYS 95 2HZ LYS 95 16.338 5.746 -0.985 716 H ARG 96 H ARG 96 10.635 3.827 -1.386 717 HA ARG 96 HA ARG 96 11.599 3.556 -4.117 718 HB2 ARG 96 2HB ARG 96 11.805 1.353 -2.962 719 HB3 ARG 96 1HB ARG 96 10.080 1.396 -2.640 720 HG2 ARG 96 2HG ARG 96 10.483 -0.052 -4.511 721 HG3 ARG 96 1HG ARG 96 9.672 1.405 -5.090 722 HD2 ARG 96 2HD ARG 96 11.842 2.309 -5.809 723 HD3 ARG 96 1HD ARG 96 12.634 0.843 -5.238 724 HE ARG 96 HE ARG 96 10.563 0.328 -7.142 725 HH11 ARG 96 1HH1 ARG 96 14.024 1.032 -6.754 726 HH12 ARG 96 2HH1 ARG 96 14.413 0.641 -8.359 727 HH21 ARG 96 1HH2 ARG 96 11.198 -0.275 -9.434 728 HH22 ARG 96 2HH2 ARG 96 12.815 -0.068 -9.860 729 H LEU 97 H LEU 97 8.821 3.800 -1.933 730 HA LEU 97 HA LEU 97 7.224 4.385 -4.301 731 HB2 LEU 97 2HB LEU 97 5.260 3.960 -3.123 732 HB3 LEU 97 1HB LEU 97 6.389 2.776 -2.515 733 HG LEU 97 HG LEU 97 5.145 3.393 -0.699 734 HD11 LEU 97 1HD1 LEU 97 7.360 3.321 -0.026 735 HD12 LEU 97 2HD1 LEU 97 6.525 4.587 0.880 736 HD13 LEU 97 3HD1 LEU 97 7.603 5.014 -0.449 737 HD21 LEU 97 3HD2 LEU 97 3.929 5.294 -1.526 738 HD22 LEU 97 1HD2 LEU 97 5.374 6.303 -1.441 739 HD23 LEU 97 2HD2 LEU 97 4.628 5.705 0.040 740 H THR 98 H THR 98 8.645 6.019 -1.589 741 HA THR 98 HA THR 98 7.225 8.341 -2.598 742 HB THR 98 HB THR 98 6.454 7.948 -0.315 743 HG1 THR 98 1HG THR 98 8.011 10.192 -0.831 744 HG21 THR 98 3HG2 THR 98 9.331 8.235 0.504 745 HG22 THR 98 1HG2 THR 98 8.355 6.770 0.565 746 HG23 THR 98 2HG2 THR 98 7.952 8.134 1.608 747 H LYS 99 H LYS 99 9.897 6.914 -3.015 748 HA LYS 99 HA LYS 99 11.734 9.094 -3.024 749 HB2 LYS 99 2HB LYS 99 12.912 7.788 -4.768 750 HB3 LYS 99 1HB LYS 99 12.383 6.732 -3.453 751 HG2 LYS 99 2HG LYS 99 10.910 5.634 -4.695 752 HG3 LYS 99 1HG LYS 99 10.527 7.029 -5.704 753 HD2 LYS 99 2HD LYS 99 11.654 5.283 -6.964 754 HD3 LYS 99 1HD LYS 99 12.645 6.746 -6.901 755 HE2 LYS 99 2HE LYS 99 13.908 5.655 -5.096 756 HE3 LYS 99 1HE LYS 99 12.927 4.214 -5.327 757 HZ1 LYS 99 3HZ LYS 99 14.867 3.853 -6.678 758 HZ2 LYS 99 1HZ LYS 99 14.814 5.428 -7.275 759 HZ3 LYS 99 2HZ LYS 99 13.667 4.372 -7.772 760 H ARG 100 H ARG 100 12.246 10.325 -5.026 761 HA ARG 100 HA ARG 100 9.683 11.025 -6.334 762 HB2 ARG 100 2HB ARG 100 10.518 13.323 -6.443 763 HB3 ARG 100 1HB ARG 100 10.415 12.741 -4.791 764 HG2 ARG 100 2HG ARG 100 12.753 12.482 -4.668 765 HG3 ARG 100 1HG ARG 100 12.951 12.791 -6.389 766 HD2 ARG 100 2HD ARG 100 11.899 15.051 -5.977 767 HD3 ARG 100 1HD ARG 100 11.969 14.702 -4.258 768 HE ARG 100 HE ARG 100 14.383 14.794 -5.926 769 HH11 ARG 100 1HH1 ARG 100 12.748 15.651 -2.911 770 HH12 ARG 100 2HH1 ARG 100 13.867 16.884 -2.515 771 HH21 ARG 100 1HH2 ARG 100 15.913 16.435 -5.334 772 HH22 ARG 100 2HH2 ARG 100 15.705 17.322 -3.881 773 H SER 101 H SER 101 12.219 9.406 -6.992 774 HA SER 101 HA SER 101 13.228 10.741 -9.317 775 HB2 SER 101 2HB SER 101 13.705 8.099 -8.074 776 HB3 SER 101 1HB SER 101 14.575 8.652 -9.526 777 HG SER 101 HG SER 101 14.943 10.591 -8.055 778 H GLU 102 H GLU 102 10.907 8.226 -8.726 779 HA GLU 102 HA GLU 102 10.750 7.440 -11.580 780 HB2 GLU 102 2HB GLU 102 8.759 6.619 -9.502 781 HB3 GLU 102 1HB GLU 102 9.306 5.743 -10.913 782 HG2 GLU 102 2HG GLU 102 10.833 6.170 -8.391 783 HG3 GLU 102 1HG GLU 102 9.975 4.687 -8.796 784 H GLU 103 H GLU 103 9.131 7.950 -12.867 785 HA GLU 103 HA GLU 103 7.403 10.037 -11.894 786 HB2 GLU 103 2HB GLU 103 6.715 10.198 -14.393 787 HB3 GLU 103 1HB GLU 103 8.281 10.811 -13.897 788 HG2 GLU 103 2HG GLU 103 7.939 8.057 -15.041 789 HG3 GLU 103 1HG GLU 103 8.115 9.456 -16.074 790 H VAL 104 H VAL 104 6.640 7.387 -14.177 791 HA VAL 104 HA VAL 104 4.283 6.961 -12.596 792 HB VAL 104 HB VAL 104 3.501 7.658 -14.743 793 HG11 VAL 104 1HG1 VAL 104 5.533 7.558 -15.942 794 HG12 VAL 104 2HG1 VAL 104 4.152 6.827 -16.778 795 HG13 VAL 104 3HG1 VAL 104 5.395 5.779 -16.056 796 HG21 VAL 104 3HG2 VAL 104 2.402 5.621 -13.925 797 HG22 VAL 104 1HG2 VAL 104 3.539 4.655 -14.855 798 HG23 VAL 104 2HG2 VAL 104 2.406 5.719 -15.693 799 H VAL 105 H VAL 105 3.798 5.034 -11.904 800 HA VAL 105 HA VAL 105 5.783 2.897 -12.281 801 HB VAL 105 HB VAL 105 5.579 2.464 -9.791 802 HG11 VAL 105 1HG1 VAL 105 6.742 5.134 -10.609 803 HG12 VAL 105 2HG1 VAL 105 7.563 3.579 -10.741 804 HG13 VAL 105 3HG1 VAL 105 7.159 4.232 -9.153 805 HG21 VAL 105 3HG2 VAL 105 4.781 4.273 -8.395 806 HG22 VAL 105 1HG2 VAL 105 3.524 3.728 -9.503 807 HG23 VAL 105 2HG2 VAL 105 4.393 5.231 -9.826 808 H ARG 106 H ARG 106 5.004 0.812 -11.424 809 HA ARG 106 HA ARG 106 2.085 0.521 -11.552 810 HB2 ARG 106 2HB ARG 106 4.165 -1.325 -12.760 811 HB3 ARG 106 1HB ARG 106 2.460 -1.680 -12.662 812 HG2 ARG 106 2HG ARG 106 1.894 0.167 -14.075 813 HG3 ARG 106 1HG ARG 106 3.564 0.714 -14.101 814 HD2 ARG 106 2HD ARG 106 4.190 -1.379 -15.234 815 HD3 ARG 106 1HD ARG 106 2.488 -1.855 -15.255 816 HE ARG 106 HE ARG 106 2.416 0.570 -16.379 817 HH11 ARG 106 1HH1 ARG 106 4.453 -2.228 -17.082 818 HH12 ARG 106 2HH1 ARG 106 4.614 -1.900 -18.735 819 HH21 ARG 106 1HH2 ARG 106 2.609 1.059 -18.590 820 HH22 ARG 106 2HH2 ARG 106 3.546 0.078 -19.630 821 H LEU 107 H LEU 107 1.346 -0.270 -9.662 822 HA LEU 107 HA LEU 107 3.265 -1.792 -8.125 823 HB2 LEU 107 2HB LEU 107 1.027 -0.175 -6.953 824 HB3 LEU 107 1HB LEU 107 2.479 -0.752 -6.178 825 HG LEU 107 HG LEU 107 2.822 1.544 -6.256 826 HD11 LEU 107 1HD1 LEU 107 4.189 0.686 -8.705 827 HD12 LEU 107 2HD1 LEU 107 4.714 0.472 -7.047 828 HD13 LEU 107 3HD1 LEU 107 4.547 2.102 -7.707 829 HD21 LEU 107 3HD2 LEU 107 1.808 1.695 -9.070 830 HD22 LEU 107 1HD2 LEU 107 2.295 3.043 -8.034 831 HD23 LEU 107 2HD2 LEU 107 0.881 2.068 -7.615 832 H LEU 108 H LEU 108 2.265 -3.444 -6.949 833 HA LEU 108 HA LEU 108 -0.385 -4.221 -7.935 834 HB2 LEU 108 2HB LEU 108 2.081 -5.651 -7.644 835 HB3 LEU 108 1HB LEU 108 0.756 -6.547 -6.974 836 HG LEU 108 HG LEU 108 -0.366 -6.137 -9.231 837 HD11 LEU 108 1HD1 LEU 108 1.135 -4.408 -10.064 838 HD12 LEU 108 2HD1 LEU 108 1.170 -5.810 -11.135 839 HD13 LEU 108 3HD1 LEU 108 2.495 -5.532 -10.005 840 HD21 LEU 108 3HD2 LEU 108 0.802 -8.057 -10.248 841 HD22 LEU 108 1HD2 LEU 108 0.401 -8.304 -8.550 842 HD23 LEU 108 2HD2 LEU 108 2.054 -7.906 -9.018 843 H VAL 109 H VAL 109 -1.848 -4.591 -6.535 844 HA VAL 109 HA VAL 109 -1.069 -4.879 -3.730 845 HB VAL 109 HB VAL 109 -2.801 -3.487 -2.924 846 HG11 VAL 109 1HG1 VAL 109 -2.073 -1.293 -3.596 847 HG12 VAL 109 2HG1 VAL 109 -1.232 -2.002 -4.994 848 HG13 VAL 109 3HG1 VAL 109 -0.724 -2.399 -3.341 849 HG21 VAL 109 3HG2 VAL 109 -3.558 -2.835 -5.769 850 HG22 VAL 109 1HG2 VAL 109 -4.222 -2.052 -4.340 851 HG23 VAL 109 2HG2 VAL 109 -4.520 -3.767 -4.634 852 H THR 110 H THR 110 -2.586 -6.031 -2.454 853 HA THR 110 HA THR 110 -4.617 -7.414 -4.041 854 HB THR 110 HB THR 110 -4.498 -9.262 -2.461 855 HG1 THR 110 1HG THR 110 -2.442 -8.593 -0.941 856 HG21 THR 110 3HG2 THR 110 -2.259 -10.043 -2.770 857 HG22 THR 110 1HG2 THR 110 -1.665 -8.387 -2.937 858 HG23 THR 110 2HG2 THR 110 -2.687 -9.052 -4.184 859 H ARG 111 H ARG 111 -6.660 -7.491 -3.241 860 HA ARG 111 HA ARG 111 -7.223 -5.387 -1.300 861 HB2 ARG 111 2HB ARG 111 -9.070 -6.796 -3.213 862 HB3 ARG 111 1HB ARG 111 -9.571 -5.533 -2.093 863 HG2 ARG 111 2HG ARG 111 -7.716 -5.262 -4.460 864 HG3 ARG 111 1HG ARG 111 -9.334 -4.582 -4.292 865 HD2 ARG 111 2HD ARG 111 -6.882 -3.822 -2.691 866 HD3 ARG 111 1HD ARG 111 -7.643 -2.862 -3.948 867 HE ARG 111 HE ARG 111 -9.633 -3.234 -2.138 868 HH11 ARG 111 1HH1 ARG 111 -6.343 -1.972 -1.921 869 HH12 ARG 111 2HH1 ARG 111 -6.642 -0.895 -0.657 870 HH21 ARG 111 1HH2 ARG 111 -10.088 -1.721 -0.342 871 HH22 ARG 111 2HH2 ARG 111 -8.827 -0.790 0.296 872 H GLN 112 H GLN 112 -7.289 -6.031 0.653 873 HA GLN 112 HA GLN 112 -8.407 -8.665 1.323 874 HB2 GLN 112 2HB GLN 112 -6.779 -6.764 3.026 875 HB3 GLN 112 1HB GLN 112 -7.192 -8.434 3.420 876 HG2 GLN 112 2HG GLN 112 -5.558 -7.550 1.097 877 HG3 GLN 112 1HG GLN 112 -4.904 -8.194 2.612 878 HE21 GLN 112 1HE2 GLN 112 -4.896 -9.037 -0.205 879 HE22 GLN 112 2HE2 GLN 112 -5.358 -10.699 -0.209 880 H SER 113 H SER 113 -9.527 -5.992 0.659 881 HA SER 113 HA SER 113 -10.780 -4.950 2.973 882 HB2 SER 113 2HB SER 113 -11.965 -3.600 1.080 883 HB3 SER 113 1HB SER 113 -10.245 -3.347 1.402 884 HG SER 113 HG SER 113 -11.495 -4.464 -0.772 885 H LEU 114 H LEU 114 -11.305 -7.644 1.794 886 HA LEU 114 HA LEU 114 -12.943 -9.267 1.925 887 HB2 LEU 114 2HB LEU 114 -13.538 -8.128 4.020 888 HB3 LEU 114 1HB LEU 114 -14.588 -7.044 3.140 889 HG LEU 114 HG LEU 114 -15.964 -9.057 2.508 890 HD11 LEU 114 1HD1 LEU 114 -14.293 -10.761 2.878 891 HD12 LEU 114 2HD1 LEU 114 -15.715 -11.050 3.881 892 HD13 LEU 114 3HD1 LEU 114 -14.253 -10.374 4.596 893 HD21 LEU 114 3HD2 LEU 114 -17.076 -9.179 4.687 894 HD22 LEU 114 1HD2 LEU 114 -16.657 -7.520 4.264 895 HD23 LEU 114 2HD2 LEU 114 -15.682 -8.403 5.437 896 H GLN 115 H GLN 115 -14.431 -10.159 0.488 897 HA GLN 115 HA GLN 115 -15.483 -8.356 -1.469 898 HB2 GLN 115 2HB GLN 115 -15.725 -11.360 -1.217 899 HB3 GLN 115 1HB GLN 115 -16.556 -10.436 -2.462 900 HG2 GLN 115 2HG GLN 115 -14.333 -9.548 -3.178 901 HG3 GLN 115 1HG GLN 115 -13.591 -10.692 -2.064 902 HE21 GLN 115 1HE2 GLN 115 -13.498 -10.401 -4.973 903 HE22 GLN 115 2HE2 GLN 115 -13.926 -11.938 -5.617 904 H LYS 116 H LYS 116 -17.499 -7.778 -1.716 905 HA LYS 116 HA LYS 116 -18.746 -7.511 0.856 906 HB2 LYS 116 2HB LYS 116 -19.359 -6.128 -1.732 907 HB3 LYS 116 1HB LYS 116 -19.953 -5.678 -0.136 908 HG2 LYS 116 2HG LYS 116 -17.681 -5.248 0.612 909 HG3 LYS 116 1HG LYS 116 -17.060 -5.719 -0.967 910 HD2 LYS 116 2HD LYS 116 -18.335 -3.880 -1.982 911 HD3 LYS 116 1HD LYS 116 -18.876 -3.392 -0.375 912 HE2 LYS 116 2HE LYS 116 -16.502 -3.096 0.285 913 HE3 LYS 116 1HE LYS 116 -16.034 -3.484 -1.365 914 HZ1 LYS 116 3HZ LYS 116 -17.270 -1.556 -2.133 915 HZ2 LYS 116 1HZ LYS 116 -16.133 -1.093 -0.980 916 HZ3 LYS 116 2HZ LYS 116 -17.764 -1.215 -0.586 917 H ALA 117 H ALA 117 -20.749 -7.889 1.425 918 HA ALA 117 HA ALA 117 -22.728 -8.757 1.649 919 HB1 ALA 117 1HB ALA 117 -23.321 -7.406 -0.331 920 HB2 ALA 117 2HB ALA 117 -24.278 -8.876 -0.188 921 HB3 ALA 117 3HB ALA 117 -22.960 -8.794 -1.358 922 H VAL 118 H VAL 118 -21.781 -10.441 -1.247 923 HA VAL 118 HA VAL 118 -21.887 -12.582 -1.855 924 HB VAL 118 HB VAL 118 -20.676 -13.137 0.885 925 HG11 VAL 118 1HG1 VAL 118 -19.704 -15.130 -0.172 926 HG12 VAL 118 2HG1 VAL 118 -20.564 -14.754 -1.667 927 HG13 VAL 118 3HG1 VAL 118 -21.468 -15.174 -0.212 928 HG21 VAL 118 3HG2 VAL 118 -18.505 -12.991 -0.252 929 HG22 VAL 118 1HG2 VAL 118 -19.383 -11.466 -0.350 930 HG23 VAL 118 2HG2 VAL 118 -19.317 -12.538 -1.747 931 H GLN 119 H GLN 119 -24.135 -12.242 -1.800 932 HA GLN 119 HA GLN 119 -25.446 -14.232 -0.067 933 HB2 GLN 119 2HB GLN 119 -26.650 -11.822 -1.463 934 HB3 GLN 119 1HB GLN 119 -27.557 -13.009 -0.547 935 HG2 GLN 119 2HG GLN 119 -26.489 -12.391 1.493 936 HG3 GLN 119 1HG GLN 119 -25.346 -11.357 0.639 937 HE21 GLN 119 1HE2 GLN 119 -25.945 -9.610 1.895 938 HE22 GLN 119 2HE2 GLN 119 -27.425 -8.764 1.655 939 H GLN 120 H GLN 120 -24.031 -13.862 -2.809 940 HA GLN 120 HA GLN 120 -25.834 -14.941 -4.742 941 HB2 GLN 120 2HB GLN 120 -22.827 -14.580 -4.748 942 HB3 GLN 120 1HB GLN 120 -23.728 -15.204 -6.113 943 HG2 GLN 120 2HG GLN 120 -23.243 -12.909 -6.534 944 HG3 GLN 120 1HG GLN 120 -24.962 -13.030 -6.197 945 HE21 GLN 120 1HE2 GLN 120 -25.122 -10.907 -5.647 946 HE22 GLN 120 2HE2 GLN 120 -24.497 -10.246 -4.191 947 H SER 121 H SER 121 -24.529 -16.277 -2.098 948 HA SER 121 HA SER 121 -23.568 -18.757 -3.006 949 HB2 SER 121 2HB SER 121 -24.726 -17.980 -0.338 950 HB3 SER 121 1HB SER 121 -23.652 -19.343 -0.666 951 HG SER 121 HG SER 121 -22.017 -18.075 -0.678 952 H MET 122 H MET 122 -26.691 -17.393 -2.645 953 HA MET 122 HA MET 122 -28.012 -19.980 -2.488 954 HB2 MET 122 2HB MET 122 -29.160 -17.181 -2.508 955 HB3 MET 122 1HB MET 122 -30.113 -18.646 -2.374 956 HG2 MET 122 2HG MET 122 -28.045 -17.710 -0.390 957 HG3 MET 122 1HG MET 122 -29.789 -17.531 -0.217 958 HE1 MET 122 3HE MET 122 -30.857 -20.363 -1.324 959 HE2 MET 122 1HE MET 122 -31.460 -19.556 0.127 960 HE3 MET 122 2HE MET 122 -30.956 -21.241 0.199 961 H LEU 123 H LEU 123 -27.580 -20.850 -4.447 962 HA LEU 123 HA LEU 123 -28.726 -19.443 -6.761 963 HB2 LEU 123 2HB LEU 123 -26.558 -21.545 -6.725 964 HB3 LEU 123 1HB LEU 123 -27.287 -20.889 -8.175 965 HG LEU 123 HG LEU 123 -25.648 -19.319 -6.178 966 HD11 LEU 123 1HD1 LEU 123 -24.997 -20.218 -8.977 967 HD12 LEU 123 2HD1 LEU 123 -24.325 -20.898 -7.500 968 HD13 LEU 123 3HD1 LEU 123 -23.978 -19.225 -7.937 969 HD21 LEU 123 3HD2 LEU 123 -26.861 -18.496 -8.819 970 HD22 LEU 123 1HD2 LEU 123 -25.749 -17.529 -7.852 971 HD23 LEU 123 2HD2 LEU 123 -27.345 -17.919 -7.222 972 H SER 124 H SER 124 -28.856 -22.281 -4.817 973 HA SER 124 HA SER 124 -30.394 -23.800 -6.665 974 HB2 SER 124 2HB SER 124 -30.026 -24.167 -3.683 975 HB3 SER 124 1HB SER 124 -30.634 -25.370 -4.820 976 HG SER 124 HG SER 124 -28.237 -25.142 -4.099 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -8.295 -13.282 -21.277 2 H2 GLY 1 2HT GLY 1 -8.667 -14.892 -21.657 3 H3 GLY 1 3HT GLY 1 -7.877 -13.919 -22.781 4 HA2 GLY 1 1HA GLY 1 -6.761 -14.753 -20.191 5 HA3 GLY 1 2HA GLY 1 -6.335 -15.413 -21.766 6 H SER 2 H SER 2 -4.191 -14.759 -21.539 7 HA SER 2 HA SER 2 -2.461 -13.523 -22.212 8 HB2 SER 2 2HB SER 2 -4.486 -11.404 -22.919 9 HB3 SER 2 1HB SER 2 -2.784 -11.367 -23.389 10 HG SER 2 HG SER 2 -3.613 -13.714 -24.091 11 H TYR 3 H TYR 3 -4.597 -12.006 -19.923 12 HA TYR 3 HA TYR 3 -2.588 -10.170 -18.984 13 HB2 TYR 3 2HB TYR 3 -4.908 -9.489 -18.792 14 HB3 TYR 3 1HB TYR 3 -5.312 -10.939 -17.893 15 HD1 TYR 3 2HD TYR 3 -3.350 -7.769 -17.663 16 HD2 TYR 3 1HD TYR 3 -5.217 -10.954 -15.554 17 HE1 TYR 3 2HE TYR 3 -2.989 -6.572 -15.526 18 HE2 TYR 3 1HE TYR 3 -4.860 -9.773 -13.434 19 HH TYR 3 HH TYR 3 -4.060 -6.556 -13.222 20 H ILE 4 H ILE 4 -4.203 -12.990 -17.610 21 HA ILE 4 HA ILE 4 -3.689 -14.483 -16.053 22 HB ILE 4 HB ILE 4 -0.785 -13.913 -16.779 23 HG12 ILE 4 2HG1 ILE 4 -2.685 -16.051 -17.796 24 HG13 ILE 4 1HG1 ILE 4 -2.192 -14.626 -18.696 25 HG21 ILE 4 1HG2 ILE 4 -0.326 -16.155 -15.853 26 HG22 ILE 4 2HG2 ILE 4 -2.012 -16.298 -15.364 27 HG23 ILE 4 3HG2 ILE 4 -0.981 -15.075 -14.622 28 HD11 ILE 4 3HD1 ILE 4 -0.987 -16.605 -19.426 29 HD12 ILE 4 1HD1 ILE 4 -0.386 -16.860 -17.789 30 HD13 ILE 4 2HD1 ILE 4 0.114 -15.436 -18.699 31 HA PRO 5 HA PRO 5 -3.156 -11.451 -12.775 32 HB2 PRO 5 2HB PRO 5 -4.970 -12.487 -11.134 33 HB3 PRO 5 1HB PRO 5 -5.436 -11.384 -12.437 34 HG2 PRO 5 2HG PRO 5 -5.679 -14.358 -12.292 35 HG3 PRO 5 1HG PRO 5 -6.747 -13.187 -13.083 36 HD2 PRO 5 2HD PRO 5 -4.920 -14.740 -14.419 37 HD3 PRO 5 1HD PRO 5 -5.513 -13.169 -14.997 38 H GLY 6 H GLY 6 -2.267 -11.612 -10.786 39 HA2 GLY 6 2HA GLY 6 -1.173 -14.236 -10.028 40 HA3 GLY 6 1HA GLY 6 -0.636 -12.640 -9.466 41 H GLN 7 H GLN 7 -3.829 -13.980 -9.632 42 HA GLN 7 HA GLN 7 -4.400 -12.987 -6.952 43 HB2 GLN 7 2HB GLN 7 -5.834 -12.343 -8.835 44 HB3 GLN 7 1HB GLN 7 -6.187 -14.034 -9.140 45 HG2 GLN 7 2HG GLN 7 -7.387 -14.185 -7.063 46 HG3 GLN 7 1HG GLN 7 -6.931 -12.530 -6.652 47 HE21 GLN 7 1HE2 GLN 7 -8.995 -14.526 -8.620 48 HE22 GLN 7 2HE2 GLN 7 -9.961 -13.249 -9.218 49 HA PRO 8 HA PRO 8 -4.605 -17.234 -5.583 50 HB2 PRO 8 2HB PRO 8 -5.215 -16.826 -3.024 51 HB3 PRO 8 1HB PRO 8 -3.653 -16.294 -3.636 52 HG2 PRO 8 2HG PRO 8 -6.112 -14.640 -3.161 53 HG3 PRO 8 1HG PRO 8 -4.423 -14.272 -2.760 54 HD2 PRO 8 2HD PRO 8 -5.698 -13.345 -5.050 55 HD3 PRO 8 1HD PRO 8 -3.950 -13.583 -4.810 56 H VAL 9 H VAL 9 -6.948 -16.424 -3.285 57 HA VAL 9 HA VAL 9 -9.184 -16.671 -5.121 58 HB VAL 9 HB VAL 9 -10.358 -18.364 -3.655 59 HG11 VAL 9 1HG1 VAL 9 -9.238 -20.328 -4.652 60 HG12 VAL 9 2HG1 VAL 9 -7.876 -19.298 -5.097 61 HG13 VAL 9 3HG1 VAL 9 -9.462 -19.020 -5.815 62 HG21 VAL 9 3HG2 VAL 9 -8.932 -18.193 -1.695 63 HG22 VAL 9 1HG2 VAL 9 -7.583 -18.863 -2.605 64 HG23 VAL 9 2HG2 VAL 9 -8.998 -19.865 -2.268 65 H THR 10 H THR 10 -8.329 -16.220 -1.697 66 HA THR 10 HA THR 10 -10.918 -15.162 -1.070 67 HB THR 10 HB THR 10 -9.371 -16.391 0.541 68 HG1 THR 10 1HG THR 10 -10.935 -15.512 1.740 69 HG21 THR 10 3HG2 THR 10 -7.683 -15.109 1.758 70 HG22 THR 10 1HG2 THR 10 -8.072 -13.669 0.812 71 HG23 THR 10 2HG2 THR 10 -7.325 -15.030 0.025 72 H ALA 11 H ALA 11 -8.051 -13.863 -2.337 73 HA ALA 11 HA ALA 11 -9.027 -11.156 -1.800 74 HB1 ALA 11 1HB ALA 11 -6.723 -10.411 -1.698 75 HB2 ALA 11 2HB ALA 11 -6.205 -12.099 -1.880 76 HB3 ALA 11 3HB ALA 11 -7.100 -11.605 -0.439 77 H VAL 12 H VAL 12 -8.903 -9.751 -3.435 78 HA VAL 12 HA VAL 12 -8.243 -10.768 -6.067 79 HB VAL 12 HB VAL 12 -9.593 -8.196 -5.159 80 HG11 VAL 12 1HG1 VAL 12 -9.198 -9.220 -7.967 81 HG12 VAL 12 2HG1 VAL 12 -8.383 -7.825 -7.259 82 HG13 VAL 12 3HG1 VAL 12 -10.129 -7.792 -7.512 83 HG21 VAL 12 3HG2 VAL 12 -10.930 -10.179 -4.834 84 HG22 VAL 12 1HG2 VAL 12 -10.682 -10.642 -6.518 85 HG23 VAL 12 2HG2 VAL 12 -11.590 -9.179 -6.133 86 H VAL 13 H VAL 13 -6.541 -10.005 -7.198 87 HA VAL 13 HA VAL 13 -4.951 -7.845 -6.013 88 HB VAL 13 HB VAL 13 -3.797 -10.121 -6.165 89 HG11 VAL 13 1HG1 VAL 13 -2.913 -10.835 -8.319 90 HG12 VAL 13 2HG1 VAL 13 -3.870 -9.572 -9.107 91 HG13 VAL 13 3HG1 VAL 13 -4.676 -10.882 -8.247 92 HG21 VAL 13 3HG2 VAL 13 -2.498 -8.112 -5.920 93 HG22 VAL 13 1HG2 VAL 13 -2.525 -7.833 -7.662 94 HG23 VAL 13 2HG2 VAL 13 -1.661 -9.228 -7.000 95 H GLN 14 H GLN 14 -4.349 -6.214 -7.355 96 HA GLN 14 HA GLN 14 -5.180 -6.324 -10.137 97 HB2 GLN 14 2HB GLN 14 -6.497 -4.254 -9.982 98 HB3 GLN 14 1HB GLN 14 -7.179 -5.513 -8.972 99 HG2 GLN 14 2HG GLN 14 -7.306 -3.840 -7.419 100 HG3 GLN 14 1HG GLN 14 -5.613 -4.232 -7.184 101 HE21 GLN 14 1HE2 GLN 14 -4.073 -2.893 -7.938 102 HE22 GLN 14 2HE2 GLN 14 -4.396 -1.258 -8.385 103 H ARG 15 H ARG 15 -4.214 -4.621 -11.409 104 HA ARG 15 HA ARG 15 -1.787 -3.680 -10.114 105 HB2 ARG 15 2HB ARG 15 -0.753 -3.541 -12.301 106 HB3 ARG 15 1HB ARG 15 -1.490 -5.114 -12.133 107 HG2 ARG 15 2HG ARG 15 -2.041 -4.575 -14.307 108 HG3 ARG 15 1HG ARG 15 -3.460 -4.017 -13.436 109 HD2 ARG 15 2HD ARG 15 -2.601 -1.741 -13.410 110 HD3 ARG 15 1HD ARG 15 -1.139 -2.268 -14.238 111 HE ARG 15 HE ARG 15 -2.953 -3.025 -15.973 112 HH11 ARG 15 1HH1 ARG 15 -2.834 0.019 -14.144 113 HH12 ARG 15 2HH1 ARG 15 -3.522 0.950 -15.373 114 HH21 ARG 15 1HH2 ARG 15 -3.874 -1.713 -17.681 115 HH22 ARG 15 2HH2 ARG 15 -4.103 -0.043 -17.416 116 H VAL 16 H VAL 16 -1.254 -1.609 -10.050 117 HA VAL 16 HA VAL 16 -3.260 0.338 -10.951 118 HB VAL 16 HB VAL 16 -3.139 -0.226 -8.493 119 HG11 VAL 16 1HG1 VAL 16 -0.956 -0.503 -8.134 120 HG12 VAL 16 2HG1 VAL 16 -1.521 0.830 -7.114 121 HG13 VAL 16 3HG1 VAL 16 -0.563 1.163 -8.567 122 HG21 VAL 16 3HG2 VAL 16 -3.488 2.046 -7.746 123 HG22 VAL 16 1HG2 VAL 16 -4.271 1.771 -9.294 124 HG23 VAL 16 2HG2 VAL 16 -2.743 2.655 -9.224 125 H GLU 17 H GLU 17 -2.374 2.479 -11.376 126 HA GLU 17 HA GLU 17 0.480 2.479 -11.840 127 HB2 GLU 17 2HB GLU 17 -0.522 1.652 -13.906 128 HB3 GLU 17 1HB GLU 17 -1.588 3.044 -13.949 129 HG2 GLU 17 2HG GLU 17 0.228 4.524 -14.327 130 HG3 GLU 17 1HG GLU 17 1.389 3.222 -14.057 131 H ILE 18 H ILE 18 1.090 4.038 -10.703 132 HA ILE 18 HA ILE 18 -0.496 6.492 -10.515 133 HB ILE 18 HB ILE 18 1.742 5.369 -8.832 134 HG12 ILE 18 2HG1 ILE 18 0.173 6.232 -6.950 135 HG13 ILE 18 1HG1 ILE 18 -0.993 6.435 -8.248 136 HG21 ILE 18 1HG2 ILE 18 1.984 7.498 -7.633 137 HG22 ILE 18 2HG2 ILE 18 0.985 8.275 -8.857 138 HG23 ILE 18 3HG2 ILE 18 2.524 7.568 -9.307 139 HD11 ILE 18 3HD1 ILE 18 0.280 3.846 -7.449 140 HD12 ILE 18 1HD1 ILE 18 -0.969 4.062 -8.687 141 HD13 ILE 18 2HD1 ILE 18 -1.310 4.406 -6.977 142 H HIS 19 H HIS 19 -0.025 8.183 -11.586 143 HA HIS 19 HA HIS 19 2.435 8.244 -13.155 144 HB2 HIS 19 2HB HIS 19 0.005 9.968 -13.147 145 HB3 HIS 19 1HB HIS 19 1.331 10.188 -14.303 146 HD1 HIS 19 1HD HIS 19 -1.482 9.845 -15.363 147 HD2 HIS 19 2HD HIS 19 0.994 6.665 -14.451 148 HE1 HIS 19 1HE HIS 19 -2.371 7.901 -16.687 149 H LYS 20 H LYS 20 3.687 10.194 -13.201 150 HA LYS 20 HA LYS 20 4.678 11.238 -10.902 151 HB2 LYS 20 2HB LYS 20 5.499 13.173 -12.204 152 HB3 LYS 20 1HB LYS 20 5.764 11.637 -13.005 153 HG2 LYS 20 2HG LYS 20 3.719 12.111 -14.392 154 HG3 LYS 20 1HG LYS 20 3.653 13.699 -13.646 155 HD2 LYS 20 2HD LYS 20 4.741 13.890 -15.797 156 HD3 LYS 20 1HD LYS 20 5.943 14.143 -14.527 157 HE2 LYS 20 2HE LYS 20 6.788 11.937 -14.777 158 HE3 LYS 20 1HE LYS 20 5.483 11.493 -15.874 159 HZ1 LYS 20 3HZ LYS 20 7.566 11.879 -16.952 160 HZ2 LYS 20 1HZ LYS 20 7.629 13.469 -16.423 161 HZ3 LYS 20 2HZ LYS 20 6.419 12.978 -17.513 162 H LEU 21 H LEU 21 3.671 12.021 -9.219 163 HA LEU 21 HA LEU 21 1.891 14.304 -9.601 164 HB2 LEU 21 2HB LEU 21 0.906 12.551 -8.314 165 HB3 LEU 21 1HB LEU 21 2.305 12.455 -7.258 166 HG LEU 21 HG LEU 21 1.726 14.878 -6.633 167 HD11 LEU 21 1HD1 LEU 21 -0.613 15.527 -6.869 168 HD12 LEU 21 2HD1 LEU 21 -0.880 14.135 -7.921 169 HD13 LEU 21 3HD1 LEU 21 0.236 15.408 -8.408 170 HD21 LEU 21 3HD2 LEU 21 -0.150 12.658 -5.836 171 HD22 LEU 21 1HD2 LEU 21 0.054 14.181 -4.972 172 HD23 LEU 21 2HD2 LEU 21 1.397 13.047 -5.088 173 H ARG 22 H ARG 22 2.787 16.193 -9.294 174 HA ARG 22 HA ARG 22 5.368 16.267 -7.908 175 HB2 ARG 22 2HB ARG 22 4.326 18.257 -9.945 176 HB3 ARG 22 1HB ARG 22 5.892 18.292 -9.158 177 HG2 ARG 22 2HG ARG 22 6.323 17.492 -11.311 178 HG3 ARG 22 1HG ARG 22 6.335 16.054 -10.297 179 HD2 ARG 22 2HD ARG 22 5.115 15.606 -12.359 180 HD3 ARG 22 1HD ARG 22 4.006 15.580 -10.988 181 HE ARG 22 HE ARG 22 4.093 18.160 -12.092 182 HH11 ARG 22 1HH1 ARG 22 2.664 14.969 -12.764 183 HH12 ARG 22 2HH1 ARG 22 1.491 15.564 -13.828 184 HH21 ARG 22 1HH2 ARG 22 2.498 18.964 -13.458 185 HH22 ARG 22 2HH2 ARG 22 1.371 17.939 -14.242 186 H GLN 23 H GLN 23 4.969 16.817 -5.854 187 HA GLN 23 HA GLN 23 3.047 18.968 -5.412 188 HB2 GLN 23 2HB GLN 23 4.284 16.979 -3.524 189 HB3 GLN 23 1HB GLN 23 3.137 18.227 -3.059 190 HG2 GLN 23 2HG GLN 23 2.564 15.953 -4.947 191 HG3 GLN 23 1HG GLN 23 2.174 15.968 -3.235 192 HE21 GLN 23 1HE2 GLN 23 0.084 15.737 -3.524 193 HE22 GLN 23 2HE2 GLN 23 -0.983 16.941 -4.131 194 H GLY 24 H GLY 24 4.148 20.844 -5.520 195 HA2 GLY 24 2HA GLY 24 5.604 22.494 -4.907 196 HA3 GLY 24 1HA GLY 24 6.015 21.499 -3.520 197 H GLU 25 H GLU 25 7.936 20.589 -3.446 198 HA GLU 25 HA GLU 25 9.565 20.806 -5.852 199 HB2 GLU 25 2HB GLU 25 10.403 20.869 -2.961 200 HB3 GLU 25 1HB GLU 25 11.526 20.841 -4.313 201 HG2 GLU 25 2HG GLU 25 10.643 22.968 -5.098 202 HG3 GLU 25 1HG GLU 25 9.489 22.984 -3.765 203 H ASN 26 H ASN 26 7.837 18.550 -4.495 204 HA ASN 26 HA ASN 26 9.972 16.498 -4.540 205 HB2 ASN 26 2HB ASN 26 7.391 15.809 -3.249 206 HB3 ASN 26 1HB ASN 26 9.035 15.383 -2.798 207 HD21 ASN 26 1HD2 ASN 26 6.516 17.629 -2.554 208 HD22 ASN 26 2HD2 ASN 26 7.129 18.618 -1.317 209 H LEU 27 H LEU 27 9.074 14.364 -5.102 210 HA LEU 27 HA LEU 27 6.815 14.477 -6.922 211 HB2 LEU 27 2HB LEU 27 9.107 14.198 -7.979 212 HB3 LEU 27 1HB LEU 27 9.293 12.732 -7.076 213 HG LEU 27 HG LEU 27 8.747 12.262 -9.405 214 HD11 LEU 27 1HD1 LEU 27 6.475 11.484 -7.605 215 HD12 LEU 27 2HD1 LEU 27 8.020 10.652 -7.767 216 HD13 LEU 27 3HD1 LEU 27 6.905 10.708 -9.136 217 HD21 LEU 27 3HD2 LEU 27 7.497 14.253 -9.937 218 HD22 LEU 27 1HD2 LEU 27 6.174 13.733 -8.891 219 HD23 LEU 27 2HD2 LEU 27 6.561 12.810 -10.342 220 H ILE 28 H ILE 28 5.260 13.218 -6.080 221 HA ILE 28 HA ILE 28 6.088 11.103 -4.212 222 HB ILE 28 HB ILE 28 3.439 12.325 -3.691 223 HG12 ILE 28 2HG1 ILE 28 5.968 13.913 -2.982 224 HG13 ILE 28 1HG1 ILE 28 4.690 14.420 -4.041 225 HG21 ILE 28 1HG2 ILE 28 4.114 11.983 -1.370 226 HG22 ILE 28 2HG2 ILE 28 5.730 11.541 -1.910 227 HG23 ILE 28 3HG2 ILE 28 4.349 10.520 -2.338 228 HD11 ILE 28 3HD1 ILE 28 4.330 13.917 -1.107 229 HD12 ILE 28 1HD1 ILE 28 3.099 14.480 -2.240 230 HD13 ILE 28 2HD1 ILE 28 4.495 15.495 -1.894 231 H LEU 29 H LEU 29 4.595 9.303 -4.243 232 HA LEU 29 HA LEU 29 3.038 9.121 -6.693 233 HB2 LEU 29 2HB LEU 29 3.390 7.144 -4.444 234 HB3 LEU 29 1HB LEU 29 2.582 6.790 -5.941 235 HG LEU 29 HG LEU 29 5.495 7.182 -5.413 236 HD11 LEU 29 1HD1 LEU 29 4.674 4.993 -5.017 237 HD12 LEU 29 2HD1 LEU 29 5.696 4.990 -6.456 238 HD13 LEU 29 3HD1 LEU 29 3.940 4.935 -6.618 239 HD21 LEU 29 3HD2 LEU 29 5.950 6.988 -7.819 240 HD22 LEU 29 1HD2 LEU 29 5.034 8.452 -7.462 241 HD23 LEU 29 2HD2 LEU 29 4.222 7.041 -8.153 242 H GLY 30 H GLY 30 2.499 10.604 -3.925 243 HA2 GLY 30 2HA GLY 30 0.435 11.642 -3.445 244 HA3 GLY 30 1HA GLY 30 -0.323 10.364 -4.334 245 H PHE 31 H PHE 31 0.548 8.120 -3.132 246 HA PHE 31 HA PHE 31 -1.091 8.236 -0.765 247 HB2 PHE 31 2HB PHE 31 -1.301 5.827 -1.031 248 HB3 PHE 31 1HB PHE 31 -1.433 6.601 -2.569 249 HD1 PHE 31 1HD PHE 31 0.801 4.596 -0.511 250 HD2 PHE 31 2HD PHE 31 0.054 6.234 -4.321 251 HE1 PHE 31 1HE PHE 31 2.545 3.155 -1.443 252 HE2 PHE 31 2HE PHE 31 1.819 4.821 -5.294 253 HZ PHE 31 HZ PHE 31 3.072 3.266 -3.851 254 H SER 32 H SER 32 -0.518 7.019 1.154 255 HA SER 32 HA SER 32 2.322 7.170 1.935 256 HB2 SER 32 2HB SER 32 -0.159 7.352 3.636 257 HB3 SER 32 1HB SER 32 1.489 7.502 4.194 258 HG SER 32 HG SER 32 0.820 9.536 3.958 259 H ILE 33 H ILE 33 2.755 5.496 3.798 260 HA ILE 33 HA ILE 33 1.319 3.005 3.237 261 HB ILE 33 HB ILE 33 3.295 1.759 3.065 262 HG12 ILE 33 2HG1 ILE 33 4.891 4.203 3.940 263 HG13 ILE 33 1HG1 ILE 33 4.539 2.791 4.936 264 HG21 ILE 33 1HG2 ILE 33 2.864 2.942 1.032 265 HG22 ILE 33 2HG2 ILE 33 4.623 2.978 1.303 266 HG23 ILE 33 3HG2 ILE 33 3.656 4.380 1.658 267 HD11 ILE 33 3HD1 ILE 33 6.758 2.498 4.193 268 HD12 ILE 33 1HD1 ILE 33 6.338 2.924 2.525 269 HD13 ILE 33 2HD1 ILE 33 5.749 1.428 3.219 270 H GLY 34 H GLY 34 1.751 1.355 4.939 271 HA2 GLY 34 2HA GLY 34 1.824 2.706 7.551 272 HA3 GLY 34 1HA GLY 34 0.970 1.199 7.222 273 H GLY 35 H GLY 35 3.085 0.098 5.689 274 HA2 GLY 35 2HA GLY 35 5.555 -0.267 6.281 275 HA3 GLY 35 1HA GLY 35 4.969 -0.352 7.888 276 H GLY 36 H GLY 36 6.452 -2.231 6.377 277 HA2 GLY 36 2HA GLY 36 4.557 -4.402 6.044 278 HA3 GLY 36 1HA GLY 36 6.219 -4.379 5.482 279 H ILE 37 H ILE 37 7.426 -5.701 6.476 280 HA ILE 37 HA ILE 37 6.552 -7.147 8.720 281 HB ILE 37 HB ILE 37 8.565 -8.410 8.646 282 HG12 ILE 37 2HG1 ILE 37 10.149 -6.475 8.420 283 HG13 ILE 37 1HG1 ILE 37 10.541 -7.819 7.325 284 HG21 ILE 37 1HG2 ILE 37 8.572 -9.114 6.293 285 HG22 ILE 37 2HG2 ILE 37 7.694 -7.629 5.892 286 HG23 ILE 37 3HG2 ILE 37 6.935 -8.836 6.917 287 HD11 ILE 37 3HD1 ILE 37 9.220 -5.200 6.720 288 HD12 ILE 37 1HD1 ILE 37 9.485 -6.471 5.533 289 HD13 ILE 37 2HD1 ILE 37 10.855 -5.659 6.300 290 H ASP 38 H ASP 38 8.427 -4.331 8.478 291 HA ASP 38 HA ASP 38 9.864 -4.426 10.931 292 HB2 ASP 38 2HB ASP 38 10.395 -2.869 9.087 293 HB3 ASP 38 1HB ASP 38 8.879 -2.039 9.351 294 H GLN 39 H GLN 39 6.607 -3.986 10.207 295 HA GLN 39 HA GLN 39 5.980 -2.494 12.672 296 HB2 GLN 39 2HB GLN 39 3.819 -3.216 10.689 297 HB3 GLN 39 1HB GLN 39 4.060 -1.726 11.584 298 HG2 GLN 39 2HG GLN 39 5.596 -2.545 9.222 299 HG3 GLN 39 1HG GLN 39 4.307 -1.352 9.261 300 HE21 GLN 39 1HE2 GLN 39 7.167 -1.352 8.643 301 HE22 GLN 39 2HE2 GLN 39 7.851 -0.059 9.555 302 H ASP 40 H ASP 40 3.399 -3.479 13.251 303 HA ASP 40 HA ASP 40 3.804 -6.376 13.706 304 HB2 ASP 40 2HB ASP 40 4.286 -4.726 15.848 305 HB3 ASP 40 1HB ASP 40 2.579 -4.711 15.773 306 HA PRO 41 HA PRO 41 -0.263 -6.220 12.012 307 HB2 PRO 41 2HB PRO 41 -1.067 -8.749 12.728 308 HB3 PRO 41 1HB PRO 41 -0.095 -8.351 11.305 309 HG2 PRO 41 2HG PRO 41 0.776 -9.357 13.975 310 HG3 PRO 41 1HG PRO 41 1.351 -9.831 12.368 311 HD2 PRO 41 2HD PRO 41 2.769 -8.167 13.907 312 HD3 PRO 41 1HD PRO 41 2.656 -7.969 12.138 313 H SER 42 H SER 42 0.349 -6.965 15.365 314 HA SER 42 HA SER 42 -2.425 -6.965 16.106 315 HB2 SER 42 2HB SER 42 -0.675 -8.126 17.476 316 HB3 SER 42 1HB SER 42 -0.008 -6.548 17.882 317 HG SER 42 HG SER 42 -1.725 -7.752 19.256 318 H GLN 43 H GLN 43 0.080 -4.569 15.765 319 HA GLN 43 HA GLN 43 -1.830 -2.589 16.726 320 HB2 GLN 43 2HB GLN 43 0.199 -1.074 17.081 321 HB3 GLN 43 1HB GLN 43 -0.006 -2.404 18.225 322 HG2 GLN 43 2HG GLN 43 1.680 -2.964 15.932 323 HG3 GLN 43 1HG GLN 43 2.255 -1.622 16.912 324 HE21 GLN 43 1HE2 GLN 43 0.476 -4.342 18.178 325 HE22 GLN 43 2HE2 GLN 43 1.748 -5.026 19.103 326 H ASN 44 H ASN 44 -1.267 -3.825 13.995 327 HA ASN 44 HA ASN 44 -0.744 -1.342 12.585 328 HB2 ASN 44 2HB ASN 44 -0.576 -4.185 11.843 329 HB3 ASN 44 1HB ASN 44 -0.880 -2.994 10.588 330 HD21 ASN 44 1HD2 ASN 44 0.837 -0.958 12.053 331 HD22 ASN 44 2HD2 ASN 44 2.426 -1.480 11.757 332 HA PRO 45 HA PRO 45 -4.932 -0.779 11.804 333 HB2 PRO 45 2HB PRO 45 -4.809 0.769 9.589 334 HB3 PRO 45 1HB PRO 45 -4.334 1.281 11.222 335 HG2 PRO 45 2HG PRO 45 -2.561 0.327 9.000 336 HG3 PRO 45 1HG PRO 45 -2.386 1.779 10.011 337 HD2 PRO 45 2HD PRO 45 -1.057 -0.496 10.505 338 HD3 PRO 45 1HD PRO 45 -1.631 0.571 11.806 339 H PHE 46 H PHE 46 -3.050 -1.636 8.934 340 HA PHE 46 HA PHE 46 -5.385 -3.141 7.948 341 HB2 PHE 46 2HB PHE 46 -3.233 -1.835 6.271 342 HB3 PHE 46 1HB PHE 46 -4.733 -2.561 5.712 343 HD1 PHE 46 1HD PHE 46 -6.927 -1.462 6.377 344 HD2 PHE 46 2HD PHE 46 -3.140 0.411 6.870 345 HE1 PHE 46 1HE PHE 46 -8.029 0.733 6.549 346 HE2 PHE 46 2HE PHE 46 -4.229 2.585 7.043 347 HZ PHE 46 HZ PHE 46 -6.649 2.772 6.884 348 H SER 47 H SER 47 -3.170 -3.985 9.663 349 HA SER 47 HA SER 47 -2.237 -6.109 7.832 350 HB2 SER 47 2HB SER 47 -0.528 -4.323 8.818 351 HB3 SER 47 1HB SER 47 -0.544 -5.435 10.157 352 HG SER 47 HG SER 47 -0.005 -7.155 8.726 353 H GLU 48 H GLU 48 -4.286 -5.628 10.113 354 HA GLU 48 HA GLU 48 -3.472 -7.688 11.984 355 HB2 GLU 48 2HB GLU 48 -5.493 -7.175 13.241 356 HB3 GLU 48 1HB GLU 48 -4.508 -5.746 12.937 357 HG2 GLU 48 2HG GLU 48 -6.060 -4.848 11.467 358 HG3 GLU 48 1HG GLU 48 -6.822 -6.412 11.163 359 H ASP 49 H ASP 49 -4.750 -7.729 9.115 360 HA ASP 49 HA ASP 49 -7.087 -9.231 8.911 361 HB2 ASP 49 2HB ASP 49 -4.681 -9.738 7.183 362 HB3 ASP 49 1HB ASP 49 -6.380 -9.762 6.712 363 H LYS 50 H LYS 50 -3.781 -10.134 9.176 364 HA LYS 50 HA LYS 50 -4.266 -12.885 10.090 365 HB2 LYS 50 2HB LYS 50 -2.441 -12.083 7.789 366 HB3 LYS 50 1HB LYS 50 -2.567 -13.685 8.474 367 HG2 LYS 50 2HG LYS 50 -4.785 -12.282 7.000 368 HG3 LYS 50 1HG LYS 50 -3.637 -13.393 6.256 369 HD2 LYS 50 2HD LYS 50 -4.397 -15.136 7.880 370 HD3 LYS 50 1HD LYS 50 -5.639 -14.001 8.414 371 HE2 LYS 50 2HE LYS 50 -6.489 -15.614 6.758 372 HE3 LYS 50 1HE LYS 50 -6.604 -13.945 6.202 373 HZ1 LYS 50 3HZ LYS 50 -5.767 -15.449 4.467 374 HZ2 LYS 50 1HZ LYS 50 -4.442 -15.838 5.432 375 HZ3 LYS 50 2HZ LYS 50 -4.667 -14.270 4.837 376 H THR 51 H THR 51 -1.590 -13.556 10.083 377 HA THR 51 HA THR 51 -0.297 -11.589 11.767 378 HB THR 51 HB THR 51 1.435 -13.437 11.857 379 HG1 THR 51 1HG THR 51 1.135 -14.580 10.069 380 HG21 THR 51 3HG2 THR 51 -1.409 -14.149 12.562 381 HG22 THR 51 1HG2 THR 51 -0.297 -13.240 13.583 382 HG23 THR 51 2HG2 THR 51 0.017 -14.945 13.238 383 H ASP 52 H ASP 52 -0.859 -11.729 8.727 384 HA ASP 52 HA ASP 52 1.697 -11.828 7.421 385 HB2 ASP 52 2HB ASP 52 -0.298 -12.840 6.411 386 HB3 ASP 52 1HB ASP 52 -1.067 -11.263 6.357 387 H LYS 53 H LYS 53 2.976 -10.153 7.498 388 HA LYS 53 HA LYS 53 1.909 -7.471 7.531 389 HB2 LYS 53 2HB LYS 53 4.655 -8.613 7.966 390 HB3 LYS 53 1HB LYS 53 4.331 -6.886 7.921 391 HG2 LYS 53 2HG LYS 53 2.824 -7.099 9.805 392 HG3 LYS 53 1HG LYS 53 3.080 -8.840 9.827 393 HD2 LYS 53 2HD LYS 53 5.263 -6.797 10.221 394 HD3 LYS 53 1HD LYS 53 4.351 -7.542 11.514 395 HE2 LYS 53 2HE LYS 53 5.126 -9.776 10.725 396 HE3 LYS 53 1HE LYS 53 6.114 -8.956 9.524 397 HZ1 LYS 53 3HZ LYS 53 6.440 -8.784 12.484 398 HZ2 LYS 53 1HZ LYS 53 7.327 -7.858 11.372 399 HZ3 LYS 53 2HZ LYS 53 7.457 -9.530 11.389 400 H GLY 54 H GLY 54 3.363 -5.945 6.257 401 HA2 GLY 54 2HA GLY 54 4.698 -6.295 3.932 402 HA3 GLY 54 1HA GLY 54 3.029 -6.706 3.484 403 H ILE 55 H ILE 55 4.525 -4.447 2.503 404 HA ILE 55 HA ILE 55 3.679 -2.120 3.876 405 HB ILE 55 HB ILE 55 4.675 -2.403 1.009 406 HG12 ILE 55 2HG1 ILE 55 6.238 -3.168 2.807 407 HG13 ILE 55 1HG1 ILE 55 6.865 -1.826 1.865 408 HG21 ILE 55 1HG2 ILE 55 5.158 0.023 1.179 409 HG22 ILE 55 2HG2 ILE 55 4.359 0.020 2.764 410 HG23 ILE 55 3HG2 ILE 55 3.432 -0.335 1.334 411 HD11 ILE 55 3HD1 ILE 55 7.299 -1.575 4.253 412 HD12 ILE 55 1HD1 ILE 55 5.563 -1.636 4.559 413 HD13 ILE 55 2HD1 ILE 55 6.234 -0.304 3.636 414 H TYR 56 H TYR 56 1.837 -1.121 3.751 415 HA TYR 56 HA TYR 56 0.128 -1.515 1.465 416 HB2 TYR 56 2HB TYR 56 -1.806 -1.422 3.173 417 HB3 TYR 56 1HB TYR 56 -0.952 -2.952 2.999 418 HD1 TYR 56 2HD TYR 56 -1.338 0.025 5.167 419 HD2 TYR 56 1HD TYR 56 0.311 -3.820 4.693 420 HE1 TYR 56 2HE TYR 56 -0.778 -0.019 7.546 421 HE2 TYR 56 1HE TYR 56 0.924 -3.913 6.955 422 HH TYR 56 HH TYR 56 1.282 -2.369 8.837 423 H VAL 57 H VAL 57 -1.425 0.113 1.339 424 HA VAL 57 HA VAL 57 -0.320 2.679 1.941 425 HB VAL 57 HB VAL 57 -2.724 1.776 0.358 426 HG11 VAL 57 1HG1 VAL 57 -2.660 4.025 -0.600 427 HG12 VAL 57 2HG1 VAL 57 -1.441 4.477 0.595 428 HG13 VAL 57 3HG1 VAL 57 -3.066 4.029 1.115 429 HG21 VAL 57 3HG2 VAL 57 -0.773 1.014 -0.695 430 HG22 VAL 57 1HG2 VAL 57 0.060 2.551 -0.417 431 HG23 VAL 57 2HG2 VAL 57 -1.280 2.486 -1.540 432 H THR 58 H THR 58 -1.062 4.007 3.431 433 HA THR 58 HA THR 58 -3.315 3.145 5.068 434 HB THR 58 HB THR 58 -2.243 4.936 6.599 435 HG1 THR 58 1HG THR 58 -0.309 5.599 6.100 436 HG21 THR 58 3HG2 THR 58 -0.838 2.353 5.902 437 HG22 THR 58 1HG2 THR 58 -2.167 2.536 7.041 438 HG23 THR 58 2HG2 THR 58 -0.595 3.261 7.399 439 H ARG 59 H ARG 59 -2.147 5.618 3.008 440 HA ARG 59 HA ARG 59 -4.686 7.079 3.059 441 HB2 ARG 59 2HB ARG 59 -1.921 8.105 3.420 442 HB3 ARG 59 1HB ARG 59 -3.144 9.119 2.690 443 HG2 ARG 59 2HG ARG 59 -4.364 8.893 4.913 444 HG3 ARG 59 1HG ARG 59 -2.913 8.065 5.513 445 HD2 ARG 59 2HD ARG 59 -1.552 10.015 4.843 446 HD3 ARG 59 1HD ARG 59 -3.018 10.850 4.347 447 HE ARG 59 HE ARG 59 -3.006 9.955 7.065 448 HH11 ARG 59 1HH1 ARG 59 -2.167 12.630 4.878 449 HH12 ARG 59 2HH1 ARG 59 -2.067 13.792 6.113 450 HH21 ARG 59 1HH2 ARG 59 -2.827 11.593 8.785 451 HH22 ARG 59 2HH2 ARG 59 -2.485 13.206 8.348 452 H VAL 60 H VAL 60 -5.195 7.406 0.658 453 HA VAL 60 HA VAL 60 -2.958 6.966 -0.912 454 HB VAL 60 HB VAL 60 -4.539 6.925 -2.564 455 HG11 VAL 60 1HG1 VAL 60 -5.094 5.015 -0.292 456 HG12 VAL 60 2HG1 VAL 60 -4.069 4.778 -1.702 457 HG13 VAL 60 3HG1 VAL 60 -5.815 4.784 -1.883 458 HG21 VAL 60 3HG2 VAL 60 -6.978 6.781 -2.172 459 HG22 VAL 60 1HG2 VAL 60 -6.214 8.351 -1.908 460 HG23 VAL 60 2HG2 VAL 60 -6.652 7.334 -0.508 461 H SER 61 H SER 61 -3.554 8.641 -2.988 462 HA SER 61 HA SER 61 -2.806 11.109 -1.954 463 HB2 SER 61 2HB SER 61 -3.973 10.729 -4.670 464 HB3 SER 61 1HB SER 61 -2.527 11.599 -4.111 465 HG SER 61 HG SER 61 -1.792 9.444 -3.506 466 H GLU 62 H GLU 62 -4.111 12.572 -1.135 467 HA GLU 62 HA GLU 62 -6.800 12.583 -0.688 468 HB2 GLU 62 2HB GLU 62 -6.609 15.037 -0.444 469 HB3 GLU 62 1HB GLU 62 -5.322 14.160 0.369 470 HG2 GLU 62 2HG GLU 62 -3.785 14.655 -1.409 471 HG3 GLU 62 1HG GLU 62 -5.058 15.420 -2.352 472 H GLY 63 H GLY 63 -5.282 13.323 -3.674 473 HA2 GLY 63 2HA GLY 63 -7.578 13.193 -5.200 474 HA3 GLY 63 1HA GLY 63 -7.118 14.899 -5.002 475 H GLY 64 H GLY 64 -5.554 11.793 -5.512 476 HA2 GLY 64 2HA GLY 64 -3.844 13.082 -7.515 477 HA3 GLY 64 1HA GLY 64 -3.152 12.264 -6.110 478 HA PRO 65 HA PRO 65 -3.303 9.600 -9.890 479 HB2 PRO 65 2HB PRO 65 -0.914 8.390 -9.365 480 HB3 PRO 65 1HB PRO 65 -1.053 9.876 -10.295 481 HG2 PRO 65 2HG PRO 65 -0.336 9.517 -7.421 482 HG3 PRO 65 1HG PRO 65 0.320 10.640 -8.612 483 HD2 PRO 65 2HD PRO 65 -1.466 11.351 -6.745 484 HD3 PRO 65 1HD PRO 65 -1.441 12.131 -8.352 485 H ALA 66 H ALA 66 -2.420 8.722 -6.615 486 HA ALA 66 HA ALA 66 -2.700 5.963 -6.849 487 HB1 ALA 66 1HB ALA 66 -2.870 5.858 -4.430 488 HB2 ALA 66 2HB ALA 66 -3.357 7.553 -4.390 489 HB3 ALA 66 3HB ALA 66 -1.731 7.142 -4.867 490 H GLU 67 H GLU 67 -5.196 8.244 -5.650 491 HA GLU 67 HA GLU 67 -7.095 6.109 -5.821 492 HB2 GLU 67 2HB GLU 67 -8.849 7.812 -5.316 493 HB3 GLU 67 1HB GLU 67 -7.594 7.614 -4.110 494 HG2 GLU 67 2HG GLU 67 -6.632 9.644 -4.610 495 HG3 GLU 67 1HG GLU 67 -7.463 9.844 -6.136 496 H ILE 68 H ILE 68 -6.034 8.499 -8.019 497 HA ILE 68 HA ILE 68 -8.238 8.453 -9.786 498 HB ILE 68 HB ILE 68 -5.309 9.024 -10.209 499 HG12 ILE 68 2HG1 ILE 68 -6.403 10.701 -8.878 500 HG13 ILE 68 1HG1 ILE 68 -6.053 11.364 -10.467 501 HG21 ILE 68 1HG2 ILE 68 -5.831 9.966 -12.410 502 HG22 ILE 68 2HG2 ILE 68 -7.487 9.361 -12.267 503 HG23 ILE 68 3HG2 ILE 68 -6.131 8.232 -12.335 504 HD11 ILE 68 3HD1 ILE 68 -8.395 11.015 -11.105 505 HD12 ILE 68 1HD1 ILE 68 -8.219 12.083 -9.712 506 HD13 ILE 68 2HD1 ILE 68 -8.730 10.418 -9.477 507 H ALA 69 H ALA 69 -5.348 6.540 -9.495 508 HA ALA 69 HA ALA 69 -5.974 4.919 -11.793 509 HB1 ALA 69 1HB ALA 69 -3.656 5.376 -11.200 510 HB2 ALA 69 2HB ALA 69 -3.985 3.643 -11.207 511 HB3 ALA 69 3HB ALA 69 -3.877 4.515 -9.680 512 H GLY 70 H GLY 70 -6.062 4.463 -8.291 513 HA2 GLY 70 2HA GLY 70 -8.201 3.194 -7.739 514 HA3 GLY 70 1HA GLY 70 -7.546 1.964 -8.816 515 H LEU 71 H LEU 71 -5.321 3.678 -6.844 516 HA LEU 71 HA LEU 71 -4.789 1.317 -5.336 517 HB2 LEU 71 2HB LEU 71 -2.962 2.833 -6.047 518 HB3 LEU 71 1HB LEU 71 -3.689 4.135 -5.150 519 HG LEU 71 HG LEU 71 -2.644 3.522 -3.194 520 HD11 LEU 71 1HD1 LEU 71 -2.217 1.088 -2.595 521 HD12 LEU 71 2HD1 LEU 71 -2.856 0.623 -4.172 522 HD13 LEU 71 3HD1 LEU 71 -3.911 1.355 -2.972 523 HD21 LEU 71 3HD2 LEU 71 -0.916 3.655 -4.860 524 HD22 LEU 71 1HD2 LEU 71 -1.080 1.932 -5.192 525 HD23 LEU 71 2HD2 LEU 71 -0.518 2.474 -3.613 526 H GLN 72 H GLN 72 -5.826 0.743 -3.652 527 HA GLN 72 HA GLN 72 -7.520 2.701 -2.286 528 HB2 GLN 72 2HB GLN 72 -7.894 -0.286 -2.575 529 HB3 GLN 72 1HB GLN 72 -8.978 0.823 -1.745 530 HG2 GLN 72 2HG GLN 72 -8.351 0.889 -4.681 531 HG3 GLN 72 1HG GLN 72 -9.789 0.160 -3.960 532 HE21 GLN 72 1HE2 GLN 72 -8.085 3.120 -4.519 533 HE22 GLN 72 2HE2 GLN 72 -9.446 4.163 -4.384 534 H ILE 73 H ILE 73 -7.287 2.875 -0.221 535 HA ILE 73 HA ILE 73 -5.046 2.150 1.261 536 HB ILE 73 HB ILE 73 -7.814 2.716 2.263 537 HG12 ILE 73 2HG1 ILE 73 -5.526 4.615 1.787 538 HG13 ILE 73 1HG1 ILE 73 -6.967 4.494 0.770 539 HG21 ILE 73 1HG2 ILE 73 -6.707 3.525 4.320 540 HG22 ILE 73 2HG2 ILE 73 -5.162 2.993 3.663 541 HG23 ILE 73 3HG2 ILE 73 -6.420 1.811 4.027 542 HD11 ILE 73 3HD1 ILE 73 -6.819 5.404 3.637 543 HD12 ILE 73 1HD1 ILE 73 -8.304 5.260 2.696 544 HD13 ILE 73 2HD1 ILE 73 -7.067 6.425 2.219 545 H GLY 74 H GLY 74 -4.596 0.539 2.693 546 HA2 GLY 74 2HA GLY 74 -4.784 -1.526 3.858 547 HA3 GLY 74 1HA GLY 74 -6.525 -1.445 3.610 548 H ASP 75 H ASP 75 -4.062 -1.329 1.230 549 HA ASP 75 HA ASP 75 -5.223 -3.355 -0.420 550 HB2 ASP 75 2HB ASP 75 -3.603 -2.476 -1.970 551 HB3 ASP 75 1HB ASP 75 -4.576 -1.227 -1.244 552 H LYS 76 H LYS 76 -2.067 -2.843 1.086 553 HA LYS 76 HA LYS 76 -0.232 -4.124 1.422 554 HB2 LYS 76 2HB LYS 76 -1.959 -6.587 0.917 555 HB3 LYS 76 1HB LYS 76 -0.293 -6.632 1.438 556 HG2 LYS 76 2HG LYS 76 -1.040 -5.477 3.554 557 HG3 LYS 76 1HG LYS 76 -2.703 -5.740 3.021 558 HD2 LYS 76 2HD LYS 76 -1.994 -8.204 2.697 559 HD3 LYS 76 1HD LYS 76 -0.602 -7.789 3.688 560 HE2 LYS 76 2HE LYS 76 -3.507 -7.563 4.523 561 HE3 LYS 76 1HE LYS 76 -2.392 -8.831 4.987 562 HZ1 LYS 76 3HZ LYS 76 -2.135 -5.964 5.706 563 HZ2 LYS 76 1HZ LYS 76 -1.140 -7.249 6.268 564 HZ3 LYS 76 2HZ LYS 76 -2.827 -7.154 6.600 565 H ILE 77 H ILE 77 1.032 -3.587 -0.041 566 HA ILE 77 HA ILE 77 0.525 -4.048 -2.819 567 HB ILE 77 HB ILE 77 2.910 -2.779 -1.489 568 HG12 ILE 77 2HG1 ILE 77 0.584 -1.273 -2.574 569 HG13 ILE 77 1HG1 ILE 77 0.452 -1.974 -0.968 570 HG21 ILE 77 1HG2 ILE 77 3.122 -3.362 -3.893 571 HG22 ILE 77 2HG2 ILE 77 3.031 -1.614 -3.663 572 HG23 ILE 77 3HG2 ILE 77 1.618 -2.505 -4.221 573 HD11 ILE 77 3HD1 ILE 77 1.105 0.289 -0.857 574 HD12 ILE 77 1HD1 ILE 77 2.511 -0.025 -1.908 575 HD13 ILE 77 2HD1 ILE 77 2.380 -0.778 -0.292 576 H MET 78 H MET 78 1.493 -5.563 -4.001 577 HA MET 78 HA MET 78 3.422 -7.279 -2.666 578 HB2 MET 78 2HB MET 78 1.460 -7.942 -4.861 579 HB3 MET 78 1HB MET 78 2.656 -9.052 -4.225 580 HG2 MET 78 2HG MET 78 0.570 -7.810 -2.459 581 HG3 MET 78 1HG MET 78 0.229 -9.243 -3.409 582 HE1 MET 78 3HE MET 78 3.055 -9.099 0.275 583 HE2 MET 78 1HE MET 78 2.250 -7.699 -0.409 584 HE3 MET 78 2HE MET 78 3.678 -8.412 -1.198 585 H GLN 79 H GLN 79 2.877 -5.189 -5.297 586 HA GLN 79 HA GLN 79 5.481 -5.873 -6.394 587 HB2 GLN 79 2HB GLN 79 3.361 -7.005 -7.562 588 HB3 GLN 79 1HB GLN 79 3.228 -5.375 -8.227 589 HG2 GLN 79 2HG GLN 79 5.624 -7.127 -8.597 590 HG3 GLN 79 1HG GLN 79 4.287 -7.023 -9.733 591 HE21 GLN 79 1HE2 GLN 79 7.071 -5.616 -8.534 592 HE22 GLN 79 2HE2 GLN 79 7.124 -4.234 -9.605 593 H VAL 80 H VAL 80 6.524 -3.975 -6.924 594 HA VAL 80 HA VAL 80 4.986 -1.570 -7.548 595 HB VAL 80 HB VAL 80 7.132 -1.756 -5.383 596 HG11 VAL 80 1HG1 VAL 80 7.742 0.137 -6.783 597 HG12 VAL 80 2HG1 VAL 80 7.105 0.706 -5.238 598 HG13 VAL 80 3HG1 VAL 80 6.105 0.772 -6.688 599 HG21 VAL 80 3HG2 VAL 80 4.885 -2.119 -4.648 600 HG22 VAL 80 1HG2 VAL 80 4.345 -0.615 -5.354 601 HG23 VAL 80 2HG2 VAL 80 5.487 -0.594 -4.010 602 H ASN 81 H ASN 81 5.646 -1.124 -9.518 603 HA ASN 81 HA ASN 81 6.849 -0.677 -11.317 604 HB2 ASN 81 2HB ASN 81 7.551 1.095 -9.624 605 HB3 ASN 81 1HB ASN 81 9.057 0.199 -9.486 606 HD21 ASN 81 1HD2 ASN 81 7.139 0.630 -12.423 607 HD22 ASN 81 2HD2 ASN 81 8.288 1.551 -13.252 608 H GLY 82 H GLY 82 7.024 -3.251 -11.082 609 HA2 GLY 82 2HA GLY 82 8.194 -5.124 -11.583 610 HA3 GLY 82 1HA GLY 82 9.429 -4.060 -12.234 611 H TRP 83 H TRP 83 9.454 -3.116 -9.108 612 HA TRP 83 HA TRP 83 11.847 -4.603 -8.583 613 HB2 TRP 83 2HB TRP 83 12.422 -2.884 -7.250 614 HB3 TRP 83 1HB TRP 83 10.983 -2.083 -7.853 615 HD1 TRP 83 HD TRP 83 8.788 -2.263 -6.114 616 HE1 TRP 83 1HE TRP 83 8.786 -2.232 -3.454 617 HE3 TRP 83 3HE TRP 83 13.647 -3.503 -5.234 618 HZ2 TRP 83 2HZ TRP 83 10.530 -2.648 -1.452 619 HZ3 TRP 83 3HZ TRP 83 14.413 -3.660 -2.897 620 HH2 TRP 83 HH TRP 83 12.885 -3.237 -1.040 621 H ASP 84 H ASP 84 8.649 -4.958 -7.722 622 HA ASP 84 HA ASP 84 7.440 -6.578 -6.699 623 HB2 ASP 84 2HB ASP 84 9.344 -8.059 -7.601 624 HB3 ASP 84 1HB ASP 84 9.987 -7.928 -5.962 625 H MET 85 H MET 85 6.488 -6.181 -4.853 626 HA MET 85 HA MET 85 8.008 -4.564 -2.935 627 HB2 MET 85 2HB MET 85 5.928 -3.795 -4.145 628 HB3 MET 85 1HB MET 85 5.037 -4.907 -3.122 629 HG2 MET 85 2HG MET 85 4.905 -2.708 -2.210 630 HG3 MET 85 1HG MET 85 5.903 -3.713 -1.148 631 HE1 MET 85 3HE MET 85 7.362 -0.047 -1.064 632 HE2 MET 85 1HE MET 85 6.626 -1.332 -0.102 633 HE3 MET 85 2HE MET 85 5.682 -0.515 -1.347 634 H THR 86 H THR 86 6.719 -7.578 -3.323 635 HA THR 86 HA THR 86 5.765 -8.378 -0.895 636 HB THR 86 HB THR 86 5.893 -9.854 -2.887 637 HG1 THR 86 1HG THR 86 7.112 -11.618 -1.381 638 HG21 THR 86 3HG2 THR 86 7.979 -11.053 -3.383 639 HG22 THR 86 1HG2 THR 86 8.773 -10.128 -2.104 640 HG23 THR 86 2HG2 THR 86 8.188 -9.306 -3.561 641 H MET 87 H MET 87 6.478 -8.424 1.053 642 HA MET 87 HA MET 87 7.704 -8.363 2.943 643 HB2 MET 87 2HB MET 87 8.211 -10.665 1.889 644 HB3 MET 87 1HB MET 87 9.746 -9.973 1.469 645 HG2 MET 87 2HG MET 87 10.334 -9.563 3.759 646 HG3 MET 87 1HG MET 87 8.747 -10.106 4.298 647 HE1 MET 87 3HE MET 87 11.101 -12.938 5.609 648 HE2 MET 87 1HE MET 87 9.818 -11.803 6.032 649 HE3 MET 87 2HE MET 87 11.402 -11.201 5.549 650 H VAL 88 H VAL 88 8.139 -6.062 2.774 651 HA VAL 88 HA VAL 88 10.993 -5.510 2.706 652 HB VAL 88 HB VAL 88 10.226 -4.951 0.421 653 HG11 VAL 88 1HG1 VAL 88 8.326 -3.100 1.805 654 HG12 VAL 88 2HG1 VAL 88 7.895 -4.508 0.836 655 HG13 VAL 88 3HG1 VAL 88 8.633 -3.097 0.070 656 HG21 VAL 88 3HG2 VAL 88 12.009 -3.603 1.307 657 HG22 VAL 88 1HG2 VAL 88 10.853 -2.570 2.146 658 HG23 VAL 88 2HG2 VAL 88 10.919 -2.545 0.401 659 H THR 89 H THR 89 11.611 -3.770 3.989 660 HA THR 89 HA THR 89 9.960 -3.222 6.203 661 HB THR 89 HB THR 89 11.831 -1.494 6.647 662 HG1 THR 89 1HG THR 89 13.377 -3.022 4.906 663 HG21 THR 89 3HG2 THR 89 13.292 -3.229 7.526 664 HG22 THR 89 1HG2 THR 89 12.552 -4.420 6.447 665 HG23 THR 89 2HG2 THR 89 11.603 -3.693 7.738 666 H HIS 90 H HIS 90 9.307 -1.184 6.903 667 HA HIS 90 HA HIS 90 7.834 0.380 5.108 668 HB2 HIS 90 2HB HIS 90 7.478 0.267 7.554 669 HB3 HIS 90 1HB HIS 90 8.955 1.156 7.821 670 HD1 HIS 90 1HD HIS 90 5.406 1.648 7.728 671 HD2 HIS 90 2HD HIS 90 8.693 3.857 6.502 672 HE1 HIS 90 1HE HIS 90 4.545 3.887 7.281 673 H ASP 91 H ASP 91 11.038 0.735 6.469 674 HA ASP 91 HA ASP 91 11.720 3.266 5.520 675 HB2 ASP 91 2HB ASP 91 12.940 2.002 7.216 676 HB3 ASP 91 1HB ASP 91 13.460 0.874 6.000 677 H GLN 92 H GLN 92 12.379 0.083 4.167 678 HA GLN 92 HA GLN 92 13.754 1.157 1.901 679 HB2 GLN 92 2HB GLN 92 13.105 -1.508 2.887 680 HB3 GLN 92 1HB GLN 92 13.016 -1.386 1.140 681 HG2 GLN 92 2HG GLN 92 15.231 -2.108 1.846 682 HG3 GLN 92 1HG GLN 92 15.298 -0.545 1.040 683 HE21 GLN 92 1HE2 GLN 92 14.339 -1.122 4.407 684 HE22 GLN 92 2HE2 GLN 92 15.675 -0.259 5.074 685 H ALA 93 H ALA 93 10.538 0.224 2.563 686 HA ALA 93 HA ALA 93 9.487 0.313 -0.037 687 HB1 ALA 93 1HB ALA 93 8.402 -0.672 1.886 688 HB2 ALA 93 2HB ALA 93 7.352 0.499 1.079 689 HB3 ALA 93 3HB ALA 93 8.157 0.919 2.584 690 H ARG 94 H ARG 94 9.660 2.686 2.569 691 HA ARG 94 HA ARG 94 8.385 4.782 1.298 692 HB2 ARG 94 2HB ARG 94 10.481 4.677 3.422 693 HB3 ARG 94 1HB ARG 94 9.904 6.248 2.844 694 HG2 ARG 94 2HG ARG 94 8.178 4.067 3.983 695 HG3 ARG 94 1HG ARG 94 8.878 5.373 4.938 696 HD2 ARG 94 2HD ARG 94 7.173 5.870 2.536 697 HD3 ARG 94 1HD ARG 94 6.469 5.658 4.149 698 HE ARG 94 HE ARG 94 8.489 7.571 4.301 699 HH11 ARG 94 1HH1 ARG 94 5.303 7.291 2.729 700 HH12 ARG 94 2HH1 ARG 94 4.954 8.947 2.874 701 HH21 ARG 94 1HH2 ARG 94 7.949 9.836 4.491 702 HH22 ARG 94 2HH2 ARG 94 6.473 10.423 3.871 703 H LYS 95 H LYS 95 11.696 3.791 1.293 704 HA LYS 95 HA LYS 95 12.664 5.993 -0.324 705 HB2 LYS 95 2HB LYS 95 14.100 3.429 0.421 706 HB3 LYS 95 1HB LYS 95 14.831 4.930 -0.116 707 HG2 LYS 95 2HG LYS 95 13.374 4.516 2.491 708 HG3 LYS 95 1HG LYS 95 15.119 4.567 2.284 709 HD2 LYS 95 2HD LYS 95 15.045 6.875 1.677 710 HD3 LYS 95 1HD LYS 95 13.285 6.849 1.561 711 HE2 LYS 95 2HE LYS 95 14.067 7.915 3.652 712 HE3 LYS 95 1HE LYS 95 13.087 6.485 3.944 713 HZ1 LYS 95 3HZ LYS 95 14.993 5.240 4.513 714 HZ2 LYS 95 1HZ LYS 95 15.084 6.676 5.351 715 HZ3 LYS 95 2HZ LYS 95 16.070 6.437 3.992 716 H ARG 96 H ARG 96 10.572 4.242 -1.370 717 HA ARG 96 HA ARG 96 11.838 3.605 -3.846 718 HB2 ARG 96 2HB ARG 96 11.616 1.479 -2.231 719 HB3 ARG 96 1HB ARG 96 9.968 1.486 -2.833 720 HG2 ARG 96 2HG ARG 96 12.446 1.303 -4.544 721 HG3 ARG 96 1HG ARG 96 11.426 -0.057 -4.091 722 HD2 ARG 96 2HD ARG 96 9.614 0.782 -5.376 723 HD3 ARG 96 1HD ARG 96 10.407 2.339 -5.592 724 HE ARG 96 HE ARG 96 11.772 0.025 -6.695 725 HH11 ARG 96 1HH1 ARG 96 9.670 2.809 -7.287 726 HH12 ARG 96 2HH1 ARG 96 10.002 2.889 -8.957 727 HH21 ARG 96 1HH2 ARG 96 12.150 0.077 -9.023 728 HH22 ARG 96 2HH2 ARG 96 11.331 1.227 -9.973 729 H LEU 97 H LEU 97 8.812 3.640 -1.993 730 HA LEU 97 HA LEU 97 7.457 4.389 -4.442 731 HB2 LEU 97 2HB LEU 97 5.410 4.392 -2.938 732 HB3 LEU 97 1HB LEU 97 6.157 2.852 -3.342 733 HG LEU 97 HG LEU 97 7.314 3.106 -1.051 734 HD11 LEU 97 1HD1 LEU 97 6.105 4.383 0.616 735 HD12 LEU 97 2HD1 LEU 97 5.036 5.022 -0.630 736 HD13 LEU 97 3HD1 LEU 97 6.753 5.434 -0.644 737 HD21 LEU 97 3HD2 LEU 97 4.376 2.741 -1.009 738 HD22 LEU 97 1HD2 LEU 97 5.589 1.983 -0.001 739 HD23 LEU 97 2HD2 LEU 97 5.479 1.545 -1.721 740 H THR 98 H THR 98 8.375 5.966 -1.466 741 HA THR 98 HA THR 98 7.027 8.297 -2.587 742 HB THR 98 HB THR 98 6.361 7.673 -0.244 743 HG1 THR 98 1HG THR 98 5.924 9.659 -0.025 744 HG21 THR 98 3HG2 THR 98 9.175 8.470 0.444 745 HG22 THR 98 1HG2 THR 98 8.445 6.868 0.557 746 HG23 THR 98 2HG2 THR 98 7.869 8.161 1.608 747 H LYS 99 H LYS 99 9.849 6.897 -2.925 748 HA LYS 99 HA LYS 99 11.647 8.994 -2.577 749 HB2 LYS 99 2HB LYS 99 13.095 7.901 -4.219 750 HB3 LYS 99 1HB LYS 99 12.374 6.686 -3.174 751 HG2 LYS 99 2HG LYS 99 11.032 5.868 -4.788 752 HG3 LYS 99 1HG LYS 99 11.086 7.343 -5.780 753 HD2 LYS 99 2HD LYS 99 12.454 5.786 -6.968 754 HD3 LYS 99 1HD LYS 99 13.587 6.780 -6.063 755 HE2 LYS 99 2HE LYS 99 13.553 5.008 -4.291 756 HE3 LYS 99 1HE LYS 99 12.624 4.059 -5.465 757 HZ1 LYS 99 3HZ LYS 99 15.339 5.109 -5.973 758 HZ2 LYS 99 1HZ LYS 99 14.447 4.150 -7.019 759 HZ3 LYS 99 2HZ LYS 99 15.003 3.539 -5.555 760 H ARG 100 H ARG 100 12.418 10.473 -4.171 761 HA ARG 100 HA ARG 100 10.141 11.589 -5.662 762 HB2 ARG 100 2HB ARG 100 11.473 13.704 -5.607 763 HB3 ARG 100 1HB ARG 100 11.064 13.074 -4.015 764 HG2 ARG 100 2HG ARG 100 13.280 12.131 -3.803 765 HG3 ARG 100 1HG ARG 100 13.693 12.715 -5.412 766 HD2 ARG 100 2HD ARG 100 13.346 15.027 -4.611 767 HD3 ARG 100 1HD ARG 100 12.941 14.397 -3.018 768 HE ARG 100 HE ARG 100 15.430 13.394 -3.750 769 HH11 ARG 100 1HH1 ARG 100 13.994 16.535 -2.944 770 HH12 ARG 100 2HH1 ARG 100 15.433 17.165 -2.276 771 HH21 ARG 100 1HH2 ARG 100 17.376 14.265 -2.809 772 HH22 ARG 100 2HH2 ARG 100 17.386 15.853 -2.185 773 H SER 101 H SER 101 12.172 9.546 -6.458 774 HA SER 101 HA SER 101 13.547 10.756 -8.711 775 HB2 SER 101 2HB SER 101 13.485 8.149 -7.364 776 HB3 SER 101 1HB SER 101 14.521 8.415 -8.793 777 HG SER 101 HG SER 101 15.072 10.362 -7.230 778 H GLU 102 H GLU 102 10.849 8.766 -7.999 779 HA GLU 102 HA GLU 102 10.590 7.462 -10.541 780 HB2 GLU 102 2HB GLU 102 8.634 7.726 -8.268 781 HB3 GLU 102 1HB GLU 102 8.430 6.681 -9.662 782 HG2 GLU 102 2HG GLU 102 10.572 6.496 -7.576 783 HG3 GLU 102 1HG GLU 102 9.202 5.402 -7.786 784 H GLU 103 H GLU 103 8.317 7.503 -11.520 785 HA GLU 103 HA GLU 103 6.932 9.972 -11.301 786 HB2 GLU 103 2HB GLU 103 6.656 10.163 -13.794 787 HB3 GLU 103 1HB GLU 103 8.252 10.647 -13.206 788 HG2 GLU 103 2HG GLU 103 8.869 8.248 -13.974 789 HG3 GLU 103 1HG GLU 103 7.333 8.304 -14.800 790 H VAL 104 H VAL 104 6.789 7.218 -13.538 791 HA VAL 104 HA VAL 104 4.279 6.630 -12.305 792 HB VAL 104 HB VAL 104 3.703 7.518 -14.412 793 HG11 VAL 104 1HG1 VAL 104 5.719 5.756 -15.713 794 HG12 VAL 104 2HG1 VAL 104 5.686 7.546 -15.555 795 HG13 VAL 104 3HG1 VAL 104 4.440 6.718 -16.489 796 HG21 VAL 104 3HG2 VAL 104 2.497 5.515 -13.811 797 HG22 VAL 104 1HG2 VAL 104 3.642 4.540 -14.722 798 HG23 VAL 104 2HG2 VAL 104 2.606 5.702 -15.568 799 H VAL 105 H VAL 105 3.802 4.654 -11.836 800 HA VAL 105 HA VAL 105 5.831 2.559 -12.174 801 HB VAL 105 HB VAL 105 5.587 2.084 -9.686 802 HG11 VAL 105 1HG1 VAL 105 7.132 3.850 -8.955 803 HG12 VAL 105 2HG1 VAL 105 6.751 4.784 -10.403 804 HG13 VAL 105 3HG1 VAL 105 7.588 3.239 -10.548 805 HG21 VAL 105 3HG2 VAL 105 3.524 3.323 -9.315 806 HG22 VAL 105 1HG2 VAL 105 4.354 4.832 -9.693 807 HG23 VAL 105 2HG2 VAL 105 4.813 3.917 -8.257 808 H ARG 106 H ARG 106 4.911 0.400 -11.999 809 HA ARG 106 HA ARG 106 1.975 0.373 -11.800 810 HB2 ARG 106 2HB ARG 106 3.058 -0.727 -13.785 811 HB3 ARG 106 1HB ARG 106 3.829 -1.826 -12.625 812 HG2 ARG 106 2HG ARG 106 1.565 -2.479 -11.842 813 HG3 ARG 106 1HG ARG 106 0.883 -1.582 -13.197 814 HD2 ARG 106 2HD ARG 106 1.068 -3.886 -13.818 815 HD3 ARG 106 1HD ARG 106 2.289 -2.979 -14.715 816 HE ARG 106 HE ARG 106 3.333 -3.947 -12.279 817 HH11 ARG 106 1HH1 ARG 106 2.648 -4.915 -15.610 818 HH12 ARG 106 2HH1 ARG 106 3.643 -6.292 -15.534 819 HH21 ARG 106 1HH2 ARG 106 4.687 -5.798 -12.200 820 HH22 ARG 106 2HH2 ARG 106 4.842 -6.807 -13.560 821 H LEU 107 H LEU 107 1.125 -0.460 -9.975 822 HA LEU 107 HA LEU 107 2.943 -2.046 -8.274 823 HB2 LEU 107 2HB LEU 107 0.681 -0.517 -7.120 824 HB3 LEU 107 1HB LEU 107 2.226 -0.918 -6.423 825 HG LEU 107 HG LEU 107 1.857 1.236 -8.497 826 HD11 LEU 107 1HD1 LEU 107 0.605 1.792 -6.575 827 HD12 LEU 107 2HD1 LEU 107 2.058 2.799 -6.638 828 HD13 LEU 107 3HD1 LEU 107 1.967 1.437 -5.507 829 HD21 LEU 107 3HD2 LEU 107 4.112 0.269 -8.284 830 HD22 LEU 107 1HD2 LEU 107 4.107 0.730 -6.582 831 HD23 LEU 107 2HD2 LEU 107 4.027 1.971 -7.826 832 H LEU 108 H LEU 108 1.974 -3.763 -7.330 833 HA LEU 108 HA LEU 108 -0.731 -4.263 -8.244 834 HB2 LEU 108 2HB LEU 108 1.572 -6.045 -8.040 835 HB3 LEU 108 1HB LEU 108 0.088 -6.715 -7.477 836 HG LEU 108 HG LEU 108 -0.872 -5.998 -9.705 837 HD11 LEU 108 1HD1 LEU 108 0.905 -4.497 -10.414 838 HD12 LEU 108 2HD1 LEU 108 0.752 -5.817 -11.575 839 HD13 LEU 108 3HD1 LEU 108 2.068 -5.822 -10.401 840 HD21 LEU 108 3HD2 LEU 108 -0.508 -8.316 -9.199 841 HD22 LEU 108 1HD2 LEU 108 1.205 -8.170 -9.589 842 HD23 LEU 108 2HD2 LEU 108 -0.004 -8.016 -10.863 843 H VAL 109 H VAL 109 -2.124 -4.430 -6.871 844 HA VAL 109 HA VAL 109 -1.303 -4.745 -4.084 845 HB VAL 109 HB VAL 109 -3.014 -3.292 -3.375 846 HG11 VAL 109 1HG1 VAL 109 -1.160 -1.950 -5.322 847 HG12 VAL 109 2HG1 VAL 109 -0.820 -2.420 -3.639 848 HG13 VAL 109 3HG1 VAL 109 -2.010 -1.168 -3.967 849 HG21 VAL 109 3HG2 VAL 109 -3.495 -2.559 -6.242 850 HG22 VAL 109 1HG2 VAL 109 -4.182 -1.720 -4.855 851 HG23 VAL 109 2HG2 VAL 109 -4.618 -3.398 -5.171 852 H THR 110 H THR 110 -2.815 -5.661 -2.738 853 HA THR 110 HA THR 110 -4.899 -7.165 -4.156 854 HB THR 110 HB THR 110 -4.842 -8.671 -2.185 855 HG1 THR 110 1HG THR 110 -3.339 -6.764 -1.056 856 HG21 THR 110 3HG2 THR 110 -2.199 -8.365 -3.607 857 HG22 THR 110 1HG2 THR 110 -3.607 -9.241 -4.206 858 HG23 THR 110 2HG2 THR 110 -2.756 -9.821 -2.772 859 H ARG 111 H ARG 111 -6.823 -7.560 -2.920 860 HA ARG 111 HA ARG 111 -7.336 -5.300 -1.128 861 HB2 ARG 111 2HB ARG 111 -9.280 -6.874 -2.778 862 HB3 ARG 111 1HB ARG 111 -9.725 -5.698 -1.515 863 HG2 ARG 111 2HG ARG 111 -8.268 -5.142 -4.115 864 HG3 ARG 111 1HG ARG 111 -9.927 -4.684 -3.730 865 HD2 ARG 111 2HD ARG 111 -7.406 -3.653 -2.415 866 HD3 ARG 111 1HD ARG 111 -8.482 -2.766 -3.483 867 HE ARG 111 HE ARG 111 -10.169 -3.411 -1.559 868 HH11 ARG 111 1HH1 ARG 111 -6.854 -2.123 -1.268 869 HH12 ARG 111 2HH1 ARG 111 -7.190 -1.262 0.157 870 HH21 ARG 111 1HH2 ARG 111 -10.560 -2.203 0.499 871 HH22 ARG 111 2HH2 ARG 111 -9.279 -1.332 1.180 872 H GLN 112 H GLN 112 -6.917 -5.957 0.777 873 HA GLN 112 HA GLN 112 -7.455 -8.665 1.572 874 HB2 GLN 112 2HB GLN 112 -6.434 -6.300 3.144 875 HB3 GLN 112 1HB GLN 112 -6.374 -7.989 3.644 876 HG2 GLN 112 2HG GLN 112 -5.002 -6.879 1.214 877 HG3 GLN 112 1HG GLN 112 -4.226 -7.115 2.769 878 HE21 GLN 112 1HE2 GLN 112 -5.589 -8.665 -0.004 879 HE22 GLN 112 2HE2 GLN 112 -4.897 -10.226 0.270 880 H SER 113 H SER 113 -8.362 -5.405 2.577 881 HA SER 113 HA SER 113 -10.055 -4.538 3.816 882 HB2 SER 113 2HB SER 113 -11.157 -5.221 1.608 883 HB3 SER 113 1HB SER 113 -11.704 -6.679 2.417 884 HG SER 113 HG SER 113 -12.787 -4.249 2.404 885 H LEU 114 H LEU 114 -8.481 -6.515 5.209 886 HA LEU 114 HA LEU 114 -8.370 -7.930 6.848 887 HB2 LEU 114 2HB LEU 114 -10.939 -6.589 7.445 888 HB3 LEU 114 1HB LEU 114 -10.400 -7.903 8.497 889 HG LEU 114 HG LEU 114 -8.309 -6.486 8.890 890 HD11 LEU 114 1HD1 LEU 114 -8.468 -5.012 6.976 891 HD12 LEU 114 2HD1 LEU 114 -8.462 -4.087 8.480 892 HD13 LEU 114 3HD1 LEU 114 -9.971 -4.335 7.602 893 HD21 LEU 114 3HD2 LEU 114 -10.045 -6.665 10.557 894 HD22 LEU 114 1HD2 LEU 114 -10.966 -5.386 9.766 895 HD23 LEU 114 2HD2 LEU 114 -9.409 -5.023 10.512 896 H GLN 115 H GLN 115 -8.211 -9.713 5.898 897 HA GLN 115 HA GLN 115 -10.116 -11.006 4.307 898 HB2 GLN 115 2HB GLN 115 -7.562 -11.987 5.484 899 HB3 GLN 115 1HB GLN 115 -8.534 -12.928 4.367 900 HG2 GLN 115 2HG GLN 115 -8.253 -11.213 2.673 901 HG3 GLN 115 1HG GLN 115 -7.308 -10.247 3.809 902 HE21 GLN 115 1HE2 GLN 115 -6.636 -11.498 1.250 903 HE22 GLN 115 2HE2 GLN 115 -5.213 -12.427 1.546 904 H LYS 116 H LYS 116 -9.743 -11.262 7.749 905 HA LYS 116 HA LYS 116 -10.500 -12.666 9.328 906 HB2 LYS 116 2HB LYS 116 -12.344 -13.536 7.105 907 HB3 LYS 116 1HB LYS 116 -12.231 -14.544 8.528 908 HG2 LYS 116 2HG LYS 116 -14.155 -13.100 8.680 909 HG3 LYS 116 1HG LYS 116 -12.981 -12.651 9.908 910 HD2 LYS 116 2HD LYS 116 -12.252 -10.785 8.494 911 HD3 LYS 116 1HD LYS 116 -13.442 -11.258 7.279 912 HE2 LYS 116 2HE LYS 116 -15.262 -10.857 8.814 913 HE3 LYS 116 1HE LYS 116 -14.134 -10.533 10.127 914 HZ1 LYS 116 3HZ LYS 116 -15.017 -8.503 9.205 915 HZ2 LYS 116 1HZ LYS 116 -14.440 -8.899 7.668 916 HZ3 LYS 116 2HZ LYS 116 -13.360 -8.598 8.933 917 H ALA 117 H ALA 117 -10.732 -15.212 9.743 918 HA ALA 117 HA ALA 117 -8.164 -16.235 9.094 919 HB1 ALA 117 1HB ALA 117 -9.242 -16.778 11.223 920 HB2 ALA 117 2HB ALA 117 -8.852 -18.226 10.289 921 HB3 ALA 117 3HB ALA 117 -10.516 -17.647 10.356 922 H VAL 118 H VAL 118 -7.652 -17.925 7.778 923 HA VAL 118 HA VAL 118 -9.535 -18.278 5.605 924 HB VAL 118 HB VAL 118 -7.303 -17.362 5.027 925 HG11 VAL 118 1HG1 VAL 118 -5.906 -18.376 6.658 926 HG12 VAL 118 2HG1 VAL 118 -5.283 -18.739 5.049 927 HG13 VAL 118 3HG1 VAL 118 -6.164 -19.973 5.955 928 HG21 VAL 118 3HG2 VAL 118 -6.749 -18.839 3.120 929 HG22 VAL 118 1HG2 VAL 118 -8.483 -18.546 3.271 930 HG23 VAL 118 2HG2 VAL 118 -7.801 -20.078 3.807 931 H GLN 119 H GLN 119 -10.262 -19.472 7.609 932 HA GLN 119 HA GLN 119 -9.505 -22.313 7.501 933 HB2 GLN 119 2HB GLN 119 -9.282 -21.143 9.682 934 HB3 GLN 119 1HB GLN 119 -10.985 -20.750 9.625 935 HG2 GLN 119 2HG GLN 119 -11.546 -23.105 9.771 936 HG3 GLN 119 1HG GLN 119 -9.833 -23.523 9.787 937 HE21 GLN 119 1HE2 GLN 119 -11.179 -20.744 11.430 938 HE22 GLN 119 2HE2 GLN 119 -10.890 -21.314 13.029 939 H GLN 120 H GLN 120 -11.161 -23.866 7.073 940 HA GLN 120 HA GLN 120 -12.839 -24.684 6.009 941 HB2 GLN 120 2HB GLN 120 -14.164 -22.584 7.629 942 HB3 GLN 120 1HB GLN 120 -15.028 -23.828 6.692 943 HG2 GLN 120 2HG GLN 120 -13.932 -25.555 8.042 944 HG3 GLN 120 1HG GLN 120 -13.118 -24.298 8.978 945 HE21 GLN 120 1HE2 GLN 120 -14.976 -26.382 9.789 946 HE22 GLN 120 2HE2 GLN 120 -16.300 -25.575 10.536 947 H SER 121 H SER 121 -11.407 -22.757 4.648 948 HA SER 121 HA SER 121 -11.303 -21.396 2.925 949 HB2 SER 121 2HB SER 121 -12.797 -21.981 0.962 950 HB3 SER 121 1HB SER 121 -11.890 -23.322 1.657 951 HG SER 121 HG SER 121 -14.384 -22.870 2.733 952 H MET 122 H MET 122 -11.638 -19.489 3.966 953 HA MET 122 HA MET 122 -14.319 -18.468 3.846 954 HB2 MET 122 2HB MET 122 -11.865 -17.448 5.204 955 HB3 MET 122 1HB MET 122 -13.221 -16.373 4.919 956 HG2 MET 122 2HG MET 122 -13.303 -18.966 6.452 957 HG3 MET 122 1HG MET 122 -13.309 -17.345 7.145 958 HE1 MET 122 3HE MET 122 -15.250 -15.794 5.049 959 HE2 MET 122 1HE MET 122 -15.297 -15.595 6.801 960 HE3 MET 122 2HE MET 122 -16.773 -15.952 5.908 961 H LEU 123 H LEU 123 -14.742 -18.225 1.833 962 HA LEU 123 HA LEU 123 -13.262 -16.170 0.362 963 HB2 LEU 123 2HB LEU 123 -15.585 -17.915 -0.549 964 HB3 LEU 123 1HB LEU 123 -14.773 -16.737 -1.547 965 HG LEU 123 HG LEU 123 -13.998 -18.785 -2.281 966 HD11 LEU 123 1HD1 LEU 123 -11.897 -17.784 -0.401 967 HD12 LEU 123 2HD1 LEU 123 -12.202 -17.244 -2.055 968 HD13 LEU 123 3HD1 LEU 123 -11.637 -18.884 -1.753 969 HD21 LEU 123 3HD2 LEU 123 -13.534 -19.637 0.573 970 HD22 LEU 123 1HD2 LEU 123 -13.121 -20.583 -0.857 971 HD23 LEU 123 2HD2 LEU 123 -14.809 -20.214 -0.502 972 H SER 124 H SER 124 -16.695 -17.000 0.639 973 HA SER 124 HA SER 124 -17.383 -14.807 2.201 974 HB2 SER 124 2HB SER 124 -16.997 -13.691 -0.088 975 HB3 SER 124 1HB SER 124 -18.313 -14.685 -0.704 976 HG SER 124 HG SER 124 -19.710 -13.464 0.259 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -14.418 -8.882 -25.049 2 H2 GLY 1 2HT GLY 1 -12.982 -8.147 -24.536 3 H3 GLY 1 3HT GLY 1 -14.456 -7.572 -23.971 4 HA2 GLY 1 1HA GLY 1 -14.838 -9.647 -22.814 5 HA3 GLY 1 2HA GLY 1 -13.264 -10.189 -23.395 6 H SER 2 H SER 2 -12.989 -10.360 -20.964 7 HA SER 2 HA SER 2 -11.901 -7.833 -20.043 8 HB2 SER 2 2HB SER 2 -12.550 -8.623 -17.700 9 HB3 SER 2 1HB SER 2 -13.871 -8.094 -18.731 10 HG SER 2 HG SER 2 -14.681 -9.923 -18.210 11 H TYR 3 H TYR 3 -10.196 -8.224 -18.307 12 HA TYR 3 HA TYR 3 -8.517 -10.361 -19.291 13 HB2 TYR 3 2HB TYR 3 -6.704 -9.253 -18.127 14 HB3 TYR 3 1HB TYR 3 -7.598 -8.042 -19.033 15 HD1 TYR 3 2HD TYR 3 -9.109 -6.486 -17.793 16 HD2 TYR 3 1HD TYR 3 -6.489 -9.137 -15.763 17 HE1 TYR 3 2HE TYR 3 -9.387 -5.176 -15.730 18 HE2 TYR 3 1HE TYR 3 -6.756 -7.840 -13.700 19 HH TYR 3 HH TYR 3 -7.384 -5.499 -13.091 20 H ILE 4 H ILE 4 -7.312 -11.645 -17.651 21 HA ILE 4 HA ILE 4 -8.977 -12.093 -15.300 22 HB ILE 4 HB ILE 4 -9.269 -13.985 -16.789 23 HG12 ILE 4 2HG1 ILE 4 -8.415 -15.883 -15.361 24 HG13 ILE 4 1HG1 ILE 4 -7.516 -14.684 -14.437 25 HG21 ILE 4 1HG2 ILE 4 -7.448 -15.471 -17.490 26 HG22 ILE 4 2HG2 ILE 4 -6.285 -14.324 -16.828 27 HG23 ILE 4 3HG2 ILE 4 -7.323 -13.849 -18.170 28 HD11 ILE 4 3HD1 ILE 4 -9.585 -15.295 -13.322 29 HD12 ILE 4 1HD1 ILE 4 -10.511 -14.801 -14.738 30 HD13 ILE 4 2HD1 ILE 4 -9.618 -13.603 -13.804 31 HA PRO 5 HA PRO 5 -5.069 -10.850 -13.388 32 HB2 PRO 5 2HB PRO 5 -6.075 -10.776 -10.857 33 HB3 PRO 5 1HB PRO 5 -6.224 -9.419 -11.992 34 HG2 PRO 5 2HG PRO 5 -8.208 -11.503 -11.205 35 HG3 PRO 5 1HG PRO 5 -8.467 -9.784 -11.559 36 HD2 PRO 5 2HD PRO 5 -9.059 -11.766 -13.292 37 HD3 PRO 5 1HD PRO 5 -8.568 -10.142 -13.827 38 H GLY 6 H GLY 6 -3.833 -11.722 -11.491 39 HA2 GLY 6 2HA GLY 6 -4.001 -14.624 -11.495 40 HA3 GLY 6 1HA GLY 6 -2.676 -13.654 -10.853 41 H GLN 7 H GLN 7 -6.090 -13.463 -10.246 42 HA GLN 7 HA GLN 7 -5.714 -13.241 -7.437 43 HB2 GLN 7 2HB GLN 7 -7.400 -11.960 -8.407 44 HB3 GLN 7 1HB GLN 7 -8.164 -13.349 -9.194 45 HG2 GLN 7 2HG GLN 7 -8.896 -14.122 -6.995 46 HG3 GLN 7 1HG GLN 7 -8.051 -12.775 -6.232 47 HE21 GLN 7 1HE2 GLN 7 -10.881 -13.441 -6.111 48 HE22 GLN 7 2HE2 GLN 7 -11.705 -12.057 -6.720 49 HA PRO 8 HA PRO 8 -6.018 -17.614 -6.797 50 HB2 PRO 8 2HB PRO 8 -5.455 -17.594 -4.164 51 HB3 PRO 8 1HB PRO 8 -4.201 -17.337 -5.379 52 HG2 PRO 8 2HG PRO 8 -5.597 -15.320 -3.662 53 HG3 PRO 8 1HG PRO 8 -3.909 -15.363 -4.194 54 HD2 PRO 8 2HD PRO 8 -5.921 -13.815 -5.385 55 HD3 PRO 8 1HD PRO 8 -4.372 -14.305 -6.099 56 H VAL 9 H VAL 9 -7.021 -16.631 -3.598 57 HA VAL 9 HA VAL 9 -9.788 -16.554 -4.407 58 HB VAL 9 HB VAL 9 -10.558 -17.941 -2.458 59 HG11 VAL 9 1HG1 VAL 9 -10.581 -18.899 -4.660 60 HG12 VAL 9 2HG1 VAL 9 -10.131 -20.124 -3.473 61 HG13 VAL 9 3HG1 VAL 9 -8.896 -19.390 -4.494 62 HG21 VAL 9 3HG2 VAL 9 -9.014 -19.571 -1.445 63 HG22 VAL 9 1HG2 VAL 9 -8.556 -17.909 -1.067 64 HG23 VAL 9 2HG2 VAL 9 -7.677 -18.810 -2.301 65 H THR 10 H THR 10 -7.664 -16.154 -1.559 66 HA THR 10 HA THR 10 -9.624 -14.449 -0.334 67 HB THR 10 HB THR 10 -8.039 -16.086 0.901 68 HG1 THR 10 1HG THR 10 -8.573 -14.927 2.590 69 HG21 THR 10 3HG2 THR 10 -6.111 -13.761 0.662 70 HG22 THR 10 1HG2 THR 10 -5.942 -15.255 -0.243 71 HG23 THR 10 2HG2 THR 10 -5.825 -15.277 1.514 72 H ALA 11 H ALA 11 -6.862 -14.069 -2.341 73 HA ALA 11 HA ALA 11 -6.699 -11.252 -1.649 74 HB1 ALA 11 1HB ALA 11 -4.696 -11.126 -2.775 75 HB2 ALA 11 2HB ALA 11 -4.786 -12.814 -3.341 76 HB3 ALA 11 3HB ALA 11 -4.578 -12.448 -1.612 77 H VAL 12 H VAL 12 -7.458 -9.884 -2.816 78 HA VAL 12 HA VAL 12 -8.270 -10.480 -5.563 79 HB VAL 12 HB VAL 12 -8.927 -8.036 -3.858 80 HG11 VAL 12 1HG1 VAL 12 -9.017 -7.580 -6.254 81 HG12 VAL 12 2HG1 VAL 12 -10.636 -7.560 -5.561 82 HG13 VAL 12 3HG1 VAL 12 -10.091 -8.959 -6.487 83 HG21 VAL 12 3HG2 VAL 12 -10.661 -10.433 -4.467 84 HG22 VAL 12 1HG2 VAL 12 -11.189 -8.981 -3.615 85 HG23 VAL 12 2HG2 VAL 12 -9.962 -10.028 -2.898 86 H VAL 13 H VAL 13 -6.580 -10.141 -6.808 87 HA VAL 13 HA VAL 13 -4.755 -8.022 -6.077 88 HB VAL 13 HB VAL 13 -3.813 -10.285 -6.390 89 HG11 VAL 13 1HG1 VAL 13 -4.540 -9.979 -9.277 90 HG12 VAL 13 2HG1 VAL 13 -5.194 -11.146 -8.126 91 HG13 VAL 13 3HG1 VAL 13 -3.498 -11.236 -8.607 92 HG21 VAL 13 3HG2 VAL 13 -2.790 -8.197 -8.301 93 HG22 VAL 13 1HG2 VAL 13 -1.883 -9.628 -7.775 94 HG23 VAL 13 2HG2 VAL 13 -2.384 -8.413 -6.595 95 H GLN 14 H GLN 14 -4.454 -6.312 -7.335 96 HA GLN 14 HA GLN 14 -5.492 -6.229 -10.033 97 HB2 GLN 14 2HB GLN 14 -6.869 -4.203 -9.582 98 HB3 GLN 14 1HB GLN 14 -7.453 -5.632 -8.746 99 HG2 GLN 14 2HG GLN 14 -7.538 -4.327 -6.939 100 HG3 GLN 14 1HG GLN 14 -5.781 -4.480 -6.909 101 HE21 GLN 14 1HE2 GLN 14 -4.546 -2.845 -7.733 102 HE22 GLN 14 2HE2 GLN 14 -5.160 -1.236 -7.869 103 H ARG 15 H ARG 15 -4.778 -4.277 -11.198 104 HA ARG 15 HA ARG 15 -2.063 -3.723 -10.315 105 HB2 ARG 15 2HB ARG 15 -1.485 -3.375 -12.586 106 HB3 ARG 15 1HB ARG 15 -2.646 -4.682 -12.646 107 HG2 ARG 15 2HG ARG 15 -3.450 -3.423 -14.372 108 HG3 ARG 15 1HG ARG 15 -4.321 -2.625 -13.059 109 HD2 ARG 15 2HD ARG 15 -2.275 -1.071 -12.906 110 HD3 ARG 15 1HD ARG 15 -1.827 -1.708 -14.483 111 HE ARG 15 HE ARG 15 -4.503 -0.640 -14.211 112 HH11 ARG 15 1HH1 ARG 15 -1.285 -0.207 -15.607 113 HH12 ARG 15 2HH1 ARG 15 -1.577 1.349 -16.210 114 HH21 ARG 15 1HH2 ARG 15 -4.969 1.462 -15.122 115 HH22 ARG 15 2HH2 ARG 15 -3.762 2.299 -15.991 116 H VAL 16 H VAL 16 -1.251 -1.607 -10.233 117 HA VAL 16 HA VAL 16 -3.202 0.583 -10.453 118 HB VAL 16 HB VAL 16 -0.923 0.816 -8.522 119 HG11 VAL 16 1HG1 VAL 16 -3.648 1.981 -8.362 120 HG12 VAL 16 2HG1 VAL 16 -2.254 2.689 -9.163 121 HG13 VAL 16 3HG1 VAL 16 -2.193 2.404 -7.432 122 HG21 VAL 16 3HG2 VAL 16 -3.528 -0.470 -7.718 123 HG22 VAL 16 1HG2 VAL 16 -2.229 0.019 -6.632 124 HG23 VAL 16 2HG2 VAL 16 -1.963 -1.288 -7.792 125 H GLU 17 H GLU 17 -2.075 2.618 -11.061 126 HA GLU 17 HA GLU 17 0.689 2.447 -11.758 127 HB2 GLU 17 2HB GLU 17 -0.411 1.517 -13.734 128 HB3 GLU 17 1HB GLU 17 -1.450 2.928 -13.820 129 HG2 GLU 17 2HG GLU 17 0.378 4.337 -14.405 130 HG3 GLU 17 1HG GLU 17 1.530 3.048 -14.049 131 H ILE 18 H ILE 18 1.405 4.095 -10.799 132 HA ILE 18 HA ILE 18 -0.241 6.499 -10.595 133 HB ILE 18 HB ILE 18 2.059 5.492 -8.935 134 HG12 ILE 18 2HG1 ILE 18 0.535 6.347 -7.043 135 HG13 ILE 18 1HG1 ILE 18 -0.666 6.561 -8.310 136 HG21 ILE 18 1HG2 ILE 18 2.808 7.692 -9.465 137 HG22 ILE 18 2HG2 ILE 18 2.262 7.644 -7.787 138 HG23 ILE 18 3HG2 ILE 18 1.244 8.379 -9.024 139 HD11 ILE 18 3HD1 ILE 18 0.622 3.958 -7.599 140 HD12 ILE 18 1HD1 ILE 18 -0.697 4.204 -8.739 141 HD13 ILE 18 2HD1 ILE 18 -0.937 4.490 -7.006 142 H HIS 19 H HIS 19 0.203 8.230 -11.650 143 HA HIS 19 HA HIS 19 2.668 8.310 -13.198 144 HB2 HIS 19 2HB HIS 19 0.051 9.781 -13.469 145 HB3 HIS 19 1HB HIS 19 1.472 10.189 -14.434 146 HD1 HIS 19 1HD HIS 19 -0.635 9.540 -16.264 147 HD2 HIS 19 2HD HIS 19 1.393 6.505 -14.308 148 HE1 HIS 19 1HE HIS 19 -1.084 7.446 -17.589 149 H LYS 20 H LYS 20 4.090 9.866 -12.917 150 HA LYS 20 HA LYS 20 4.898 11.198 -10.820 151 HB2 LYS 20 2HB LYS 20 5.775 13.012 -12.310 152 HB3 LYS 20 1HB LYS 20 6.100 11.367 -12.847 153 HG2 LYS 20 2HG LYS 20 4.226 11.526 -14.435 154 HG3 LYS 20 1HG LYS 20 3.912 13.169 -13.891 155 HD2 LYS 20 2HD LYS 20 5.133 13.189 -15.985 156 HD3 LYS 20 1HD LYS 20 6.148 13.828 -14.692 157 HE2 LYS 20 2HE LYS 20 7.311 11.770 -14.533 158 HE3 LYS 20 1HE LYS 20 6.239 10.993 -15.706 159 HZ1 LYS 20 3HZ LYS 20 8.338 11.617 -16.621 160 HZ2 LYS 20 1HZ LYS 20 8.109 13.242 -16.217 161 HZ3 LYS 20 2HZ LYS 20 7.106 12.523 -17.374 162 H LEU 21 H LEU 21 3.906 12.260 -9.256 163 HA LEU 21 HA LEU 21 2.130 14.480 -9.943 164 HB2 LEU 21 2HB LEU 21 1.000 12.807 -8.681 165 HB3 LEU 21 1HB LEU 21 2.282 12.718 -7.496 166 HG LEU 21 HG LEU 21 1.705 15.157 -6.970 167 HD11 LEU 21 1HD1 LEU 21 0.431 15.687 -8.923 168 HD12 LEU 21 2HD1 LEU 21 -0.569 15.875 -7.483 169 HD13 LEU 21 3HD1 LEU 21 -0.769 14.461 -8.517 170 HD21 LEU 21 3HD2 LEU 21 -0.335 13.021 -6.364 171 HD22 LEU 21 1HD2 LEU 21 -0.134 14.531 -5.479 172 HD23 LEU 21 2HD2 LEU 21 1.153 13.325 -5.467 173 H ARG 22 H ARG 22 2.958 16.420 -9.555 174 HA ARG 22 HA ARG 22 5.446 16.583 -7.993 175 HB2 ARG 22 2HB ARG 22 4.260 18.747 -9.764 176 HB3 ARG 22 1HB ARG 22 5.831 18.773 -8.998 177 HG2 ARG 22 2HG ARG 22 6.241 18.348 -11.276 178 HG3 ARG 22 1HG ARG 22 6.410 16.781 -10.487 179 HD2 ARG 22 2HD ARG 22 4.224 16.114 -11.203 180 HD3 ARG 22 1HD ARG 22 3.882 17.731 -11.810 181 HE ARG 22 HE ARG 22 6.148 16.629 -13.077 182 HH11 ARG 22 1HH1 ARG 22 2.622 16.339 -12.981 183 HH12 ARG 22 2HH1 ARG 22 2.452 15.969 -14.628 184 HH21 ARG 22 1HH2 ARG 22 5.930 16.099 -15.361 185 HH22 ARG 22 2HH2 ARG 22 4.393 15.815 -16.025 186 H GLN 23 H GLN 23 5.131 17.110 -5.872 187 HA GLN 23 HA GLN 23 2.970 18.982 -5.291 188 HB2 GLN 23 2HB GLN 23 4.292 16.868 -3.595 189 HB3 GLN 23 1HB GLN 23 3.052 17.980 -3.043 190 HG2 GLN 23 2HG GLN 23 2.686 15.959 -5.229 191 HG3 GLN 23 1HG GLN 23 2.194 15.730 -3.553 192 HE21 GLN 23 1HE2 GLN 23 0.556 16.964 -2.736 193 HE22 GLN 23 2HE2 GLN 23 -0.594 17.727 -3.765 194 H GLY 24 H GLY 24 3.984 20.915 -5.219 195 HA2 GLY 24 2HA GLY 24 5.352 22.570 -4.451 196 HA3 GLY 24 1HA GLY 24 5.761 21.494 -3.125 197 H GLU 25 H GLU 25 7.733 20.699 -3.037 198 HA GLU 25 HA GLU 25 9.450 21.074 -5.372 199 HB2 GLU 25 2HB GLU 25 10.186 21.158 -2.437 200 HB3 GLU 25 1HB GLU 25 11.326 21.311 -3.766 201 HG2 GLU 25 2HG GLU 25 10.265 23.369 -4.479 202 HG3 GLU 25 1HG GLU 25 9.042 23.197 -3.225 203 H ASN 26 H ASN 26 7.767 18.733 -4.335 204 HA ASN 26 HA ASN 26 9.947 16.724 -4.392 205 HB2 ASN 26 2HB ASN 26 7.365 15.902 -3.173 206 HB3 ASN 26 1HB ASN 26 8.998 15.460 -2.719 207 HD21 ASN 26 1HD2 ASN 26 6.464 17.677 -2.405 208 HD22 ASN 26 2HD2 ASN 26 6.991 18.561 -1.050 209 H LEU 27 H LEU 27 9.064 14.625 -5.161 210 HA LEU 27 HA LEU 27 6.831 14.879 -7.029 211 HB2 LEU 27 2HB LEU 27 9.228 14.668 -8.000 212 HB3 LEU 27 1HB LEU 27 9.278 13.094 -7.260 213 HG LEU 27 HG LEU 27 8.877 12.918 -9.636 214 HD11 LEU 27 1HD1 LEU 27 6.421 12.123 -8.108 215 HD12 LEU 27 2HD1 LEU 27 7.901 11.183 -8.285 216 HD13 LEU 27 3HD1 LEU 27 6.895 11.514 -9.696 217 HD21 LEU 27 3HD2 LEU 27 6.838 13.745 -10.683 218 HD22 LEU 27 1HD2 LEU 27 7.819 15.054 -10.028 219 HD23 LEU 27 2HD2 LEU 27 6.370 14.519 -9.171 220 H ILE 28 H ILE 28 5.234 13.557 -6.222 221 HA ILE 28 HA ILE 28 6.133 11.340 -4.512 222 HB ILE 28 HB ILE 28 3.468 12.448 -3.847 223 HG12 ILE 28 2HG1 ILE 28 5.989 14.040 -3.127 224 HG13 ILE 28 1HG1 ILE 28 4.631 14.555 -4.089 225 HG21 ILE 28 1HG2 ILE 28 4.434 10.569 -2.651 226 HG22 ILE 28 2HG2 ILE 28 4.219 11.948 -1.566 227 HG23 ILE 28 3HG2 ILE 28 5.819 11.561 -2.186 228 HD11 ILE 28 3HD1 ILE 28 4.412 13.858 -1.180 229 HD12 ILE 28 1HD1 ILE 28 3.146 14.502 -2.230 230 HD13 ILE 28 2HD1 ILE 28 4.548 15.492 -1.847 231 H LEU 29 H LEU 29 4.694 9.583 -4.476 232 HA LEU 29 HA LEU 29 3.121 9.234 -6.877 233 HB2 LEU 29 2HB LEU 29 3.955 7.463 -4.599 234 HB3 LEU 29 1HB LEU 29 2.727 6.943 -5.729 235 HG LEU 29 HG LEU 29 4.353 7.021 -7.555 236 HD11 LEU 29 1HD1 LEU 29 6.743 7.342 -7.145 237 HD12 LEU 29 2HD1 LEU 29 6.402 7.768 -5.469 238 HD13 LEU 29 3HD1 LEU 29 5.837 8.809 -6.775 239 HD21 LEU 29 3HD2 LEU 29 5.757 5.142 -6.802 240 HD22 LEU 29 1HD2 LEU 29 4.062 4.974 -6.322 241 HD23 LEU 29 2HD2 LEU 29 5.255 5.495 -5.146 242 H GLY 30 H GLY 30 2.601 10.621 -4.018 243 HA2 GLY 30 2HA GLY 30 0.564 11.629 -3.421 244 HA3 GLY 30 1HA GLY 30 -0.261 10.455 -4.425 245 H PHE 31 H PHE 31 0.826 8.082 -3.213 246 HA PHE 31 HA PHE 31 -0.763 8.156 -0.769 247 HB2 PHE 31 2HB PHE 31 -1.035 5.770 -1.060 248 HB3 PHE 31 1HB PHE 31 -1.290 6.556 -2.594 249 HD1 PHE 31 1HD PHE 31 0.493 6.431 -4.333 250 HD2 PHE 31 2HD PHE 31 0.559 4.173 -0.756 251 HE1 PHE 31 1HE PHE 31 2.044 4.836 -5.386 252 HE2 PHE 31 2HE PHE 31 2.107 2.560 -1.776 253 HZ PHE 31 HZ PHE 31 2.873 2.899 -4.102 254 H SER 32 H SER 32 -0.048 6.562 0.947 255 HA SER 32 HA SER 32 2.818 6.518 1.396 256 HB2 SER 32 2HB SER 32 0.718 7.656 3.209 257 HB3 SER 32 1HB SER 32 2.316 7.129 3.747 258 HG SER 32 HG SER 32 1.586 9.280 2.058 259 H ILE 33 H ILE 33 3.150 5.128 3.597 260 HA ILE 33 HA ILE 33 1.461 2.749 3.261 261 HB ILE 33 HB ILE 33 3.304 1.295 3.146 262 HG12 ILE 33 2HG1 ILE 33 5.097 3.669 3.853 263 HG13 ILE 33 1HG1 ILE 33 4.748 2.238 4.813 264 HG21 ILE 33 1HG2 ILE 33 3.951 3.662 1.392 265 HG22 ILE 33 2HG2 ILE 33 2.830 2.360 1.007 266 HG23 ILE 33 3HG2 ILE 33 4.559 2.037 1.156 267 HD11 ILE 33 3HD1 ILE 33 6.469 2.426 2.383 268 HD12 ILE 33 1HD1 ILE 33 5.838 0.901 3.033 269 HD13 ILE 33 2HD1 ILE 33 6.856 1.909 4.039 270 H GLY 34 H GLY 34 1.945 1.141 5.017 271 HA2 GLY 34 2HA GLY 34 2.293 2.600 7.549 272 HA3 GLY 34 1HA GLY 34 1.286 1.163 7.354 273 H GLY 35 H GLY 35 3.385 0.010 5.613 274 HA2 GLY 35 2HA GLY 35 5.780 -0.615 6.181 275 HA3 GLY 35 1HA GLY 35 5.206 -0.736 7.785 276 H GLY 36 H GLY 36 6.495 -2.800 6.459 277 HA2 GLY 36 2HA GLY 36 4.324 -4.722 6.098 278 HA3 GLY 36 1HA GLY 36 5.906 -4.846 5.345 279 H ILE 37 H ILE 37 7.273 -6.182 6.236 280 HA ILE 37 HA ILE 37 6.588 -7.733 8.489 281 HB ILE 37 HB ILE 37 8.638 -8.906 8.232 282 HG12 ILE 37 2HG1 ILE 37 10.144 -6.887 8.133 283 HG13 ILE 37 1HG1 ILE 37 10.584 -8.136 6.953 284 HG21 ILE 37 1HG2 ILE 37 7.728 -7.993 5.521 285 HG22 ILE 37 2HG2 ILE 37 7.032 -9.297 6.480 286 HG23 ILE 37 3HG2 ILE 37 8.676 -9.449 5.847 287 HD11 ILE 37 3HD1 ILE 37 10.792 -5.896 6.086 288 HD12 ILE 37 1HD1 ILE 37 9.128 -5.552 6.515 289 HD13 ILE 37 2HD1 ILE 37 9.483 -6.731 5.252 290 H ASP 38 H ASP 38 8.368 -4.813 8.181 291 HA ASP 38 HA ASP 38 9.867 -4.952 10.573 292 HB2 ASP 38 2HB ASP 38 10.505 -3.573 8.707 293 HB3 ASP 38 1HB ASP 38 9.004 -2.672 8.805 294 H GLN 39 H GLN 39 6.602 -4.411 9.912 295 HA GLN 39 HA GLN 39 6.186 -2.867 12.415 296 HB2 GLN 39 2HB GLN 39 3.989 -3.384 10.426 297 HB3 GLN 39 1HB GLN 39 4.198 -1.995 11.469 298 HG2 GLN 39 2HG GLN 39 5.670 -2.604 9.005 299 HG3 GLN 39 1HG GLN 39 4.484 -1.338 9.334 300 HE21 GLN 39 1HE2 GLN 39 7.322 -1.496 8.520 301 HE22 GLN 39 2HE2 GLN 39 8.164 -0.391 9.520 302 H ASP 40 H ASP 40 4.135 -3.570 13.635 303 HA ASP 40 HA ASP 40 4.087 -6.497 13.533 304 HB2 ASP 40 2HB ASP 40 4.488 -5.034 15.856 305 HB3 ASP 40 1HB ASP 40 2.792 -5.071 15.719 306 HA PRO 41 HA PRO 41 0.139 -5.974 11.681 307 HB2 PRO 41 2HB PRO 41 -0.677 -8.612 12.167 308 HB3 PRO 41 1HB PRO 41 0.145 -7.998 10.737 309 HG2 PRO 41 2HG PRO 41 1.258 -9.470 13.061 310 HG3 PRO 41 1HG PRO 41 1.802 -9.448 11.374 311 HD2 PRO 41 2HD PRO 41 3.094 -8.171 13.334 312 HD3 PRO 41 1HD PRO 41 3.069 -7.621 11.662 313 H SER 42 H SER 42 0.590 -7.270 14.877 314 HA SER 42 HA SER 42 -2.115 -7.439 15.690 315 HB2 SER 42 2HB SER 42 0.251 -6.896 17.456 316 HB3 SER 42 1HB SER 42 -1.247 -7.731 17.883 317 HG SER 42 HG SER 42 0.979 -8.553 16.508 318 H GLN 43 H GLN 43 0.106 -4.777 15.447 319 HA GLN 43 HA GLN 43 -1.751 -3.058 16.947 320 HB2 GLN 43 2HB GLN 43 0.233 -1.650 17.442 321 HB3 GLN 43 1HB GLN 43 0.350 -3.254 18.137 322 HG2 GLN 43 2HG GLN 43 1.622 -3.463 15.723 323 HG3 GLN 43 1HG GLN 43 1.954 -1.799 16.181 324 HE21 GLN 43 1HE2 GLN 43 1.496 -4.563 18.248 325 HE22 GLN 43 2HE2 GLN 43 3.056 -4.541 18.972 326 H ASN 44 H ASN 44 -1.218 -3.884 14.061 327 HA ASN 44 HA ASN 44 -0.982 -1.178 12.998 328 HB2 ASN 44 2HB ASN 44 -0.204 -3.776 11.848 329 HB3 ASN 44 1HB ASN 44 -0.738 -2.549 10.747 330 HD21 ASN 44 1HD2 ASN 44 1.351 -2.206 9.910 331 HD22 ASN 44 2HD2 ASN 44 2.555 -1.333 10.798 332 HA PRO 45 HA PRO 45 -5.059 -0.598 11.980 333 HB2 PRO 45 2HB PRO 45 -4.886 0.895 9.717 334 HB3 PRO 45 1HB PRO 45 -4.425 1.512 11.308 335 HG2 PRO 45 2HG PRO 45 -2.676 0.356 9.170 336 HG3 PRO 45 1HG PRO 45 -2.447 1.863 10.091 337 HD2 PRO 45 2HD PRO 45 -1.177 -0.400 10.699 338 HD3 PRO 45 1HD PRO 45 -1.765 0.699 11.980 339 H PHE 46 H PHE 46 -3.214 -1.552 9.113 340 HA PHE 46 HA PHE 46 -5.660 -2.840 8.115 341 HB2 PHE 46 2HB PHE 46 -3.270 -1.926 6.502 342 HB3 PHE 46 1HB PHE 46 -4.796 -2.533 5.865 343 HD1 PHE 46 2HD PHE 46 -6.913 -1.214 6.349 344 HD2 PHE 46 1HD PHE 46 -3.006 0.332 7.003 345 HE1 PHE 46 2HE PHE 46 -7.824 1.083 6.418 346 HE2 PHE 46 1HE PHE 46 -3.920 2.610 7.083 347 HZ PHE 46 HZ PHE 46 -6.296 2.987 6.795 348 H SER 47 H SER 47 -3.308 -3.709 9.895 349 HA SER 47 HA SER 47 -2.740 -6.155 8.388 350 HB2 SER 47 2HB SER 47 -0.879 -4.414 8.915 351 HB3 SER 47 1HB SER 47 -1.077 -4.984 10.545 352 HG SER 47 HG SER 47 -0.546 -6.868 8.470 353 H GLU 48 H GLU 48 -4.481 -4.864 10.874 354 HA GLU 48 HA GLU 48 -3.865 -6.568 13.004 355 HB2 GLU 48 2HB GLU 48 -6.006 -5.705 14.000 356 HB3 GLU 48 1HB GLU 48 -4.786 -4.507 13.561 357 HG2 GLU 48 2HG GLU 48 -6.020 -4.016 11.523 358 HG3 GLU 48 1HG GLU 48 -7.243 -5.206 11.968 359 H ASP 49 H ASP 49 -5.328 -7.329 10.267 360 HA ASP 49 HA ASP 49 -7.553 -8.921 11.111 361 HB2 ASP 49 2HB ASP 49 -7.320 -8.015 8.787 362 HB3 ASP 49 1HB ASP 49 -5.999 -9.143 8.519 363 H LYS 50 H LYS 50 -4.225 -9.692 10.098 364 HA LYS 50 HA LYS 50 -4.166 -12.104 11.682 365 HB2 LYS 50 2HB LYS 50 -4.092 -12.165 8.656 366 HB3 LYS 50 1HB LYS 50 -3.392 -13.456 9.622 367 HG2 LYS 50 2HG LYS 50 -5.490 -14.002 10.559 368 HG3 LYS 50 1HG LYS 50 -6.225 -12.546 9.901 369 HD2 LYS 50 2HD LYS 50 -5.899 -13.445 7.639 370 HD3 LYS 50 1HD LYS 50 -5.221 -14.921 8.346 371 HE2 LYS 50 2HE LYS 50 -7.653 -15.071 7.755 372 HE3 LYS 50 1HE LYS 50 -7.271 -15.439 9.436 373 HZ1 LYS 50 3HZ LYS 50 -8.115 -12.719 8.597 374 HZ2 LYS 50 1HZ LYS 50 -8.081 -13.367 10.138 375 HZ3 LYS 50 2HZ LYS 50 -9.248 -13.910 9.062 376 H THR 51 H THR 51 -1.848 -13.211 10.613 377 HA THR 51 HA THR 51 0.083 -11.209 11.430 378 HB THR 51 HB THR 51 1.668 -13.198 11.276 379 HG1 THR 51 1HG THR 51 -0.606 -14.846 11.223 380 HG21 THR 51 3HG2 THR 51 0.783 -14.287 13.305 381 HG22 THR 51 1HG2 THR 51 -0.767 -13.485 13.055 382 HG23 THR 51 2HG2 THR 51 0.672 -12.531 13.413 383 H ASP 52 H ASP 52 -1.296 -11.129 8.854 384 HA ASP 52 HA ASP 52 0.531 -11.864 6.772 385 HB2 ASP 52 2HB ASP 52 -1.893 -11.966 6.468 386 HB3 ASP 52 1HB ASP 52 -2.018 -10.237 6.731 387 H LYS 53 H LYS 53 2.349 -10.763 6.647 388 HA LYS 53 HA LYS 53 2.453 -7.911 7.240 389 HB2 LYS 53 2HB LYS 53 4.698 -9.764 6.399 390 HB3 LYS 53 1HB LYS 53 4.841 -8.113 6.957 391 HG2 LYS 53 2HG LYS 53 3.732 -10.293 8.679 392 HG3 LYS 53 1HG LYS 53 5.448 -9.971 8.642 393 HD2 LYS 53 2HD LYS 53 4.518 -7.502 9.097 394 HD3 LYS 53 1HD LYS 53 3.250 -8.479 9.848 395 HE2 LYS 53 2HE LYS 53 6.215 -8.621 10.424 396 HE3 LYS 53 1HE LYS 53 4.993 -7.995 11.507 397 HZ1 LYS 53 3HZ LYS 53 5.440 -10.813 10.689 398 HZ2 LYS 53 1HZ LYS 53 4.033 -10.328 11.508 399 HZ3 LYS 53 2HZ LYS 53 5.522 -10.138 12.216 400 H GLY 54 H GLY 54 3.617 -6.571 5.737 401 HA2 GLY 54 2HA GLY 54 4.562 -6.800 3.308 402 HA3 GLY 54 1HA GLY 54 2.853 -7.052 2.958 403 H ILE 55 H ILE 55 4.277 -4.824 2.025 404 HA ILE 55 HA ILE 55 3.672 -2.628 3.751 405 HB ILE 55 HB ILE 55 4.558 -2.740 0.855 406 HG12 ILE 55 2HG1 ILE 55 6.220 -3.552 2.508 407 HG13 ILE 55 1HG1 ILE 55 6.754 -2.102 1.680 408 HG21 ILE 55 1HG2 ILE 55 4.278 -0.392 2.711 409 HG22 ILE 55 2HG2 ILE 55 3.303 -0.697 1.286 410 HG23 ILE 55 3HG2 ILE 55 5.025 -0.310 1.115 411 HD11 ILE 55 3HD1 ILE 55 7.340 -1.924 3.946 412 HD12 ILE 55 1HD1 ILE 55 5.683 -2.304 4.453 413 HD13 ILE 55 2HD1 ILE 55 6.013 -0.804 3.619 414 H TYR 56 H TYR 56 1.786 -1.770 3.967 415 HA TYR 56 HA TYR 56 -0.046 -1.912 1.741 416 HB2 TYR 56 2HB TYR 56 -1.794 -1.685 3.733 417 HB3 TYR 56 1HB TYR 56 -1.216 -3.261 3.201 418 HD1 TYR 56 2HD TYR 56 -0.644 -0.602 5.738 419 HD2 TYR 56 1HD TYR 56 -0.064 -4.629 4.579 420 HE1 TYR 56 2HE TYR 56 0.289 -1.109 7.959 421 HE2 TYR 56 1HE TYR 56 0.886 -5.155 6.703 422 HH TYR 56 HH TYR 56 1.901 -4.053 8.542 423 H VAL 57 H VAL 57 -1.389 -0.237 1.544 424 HA VAL 57 HA VAL 57 -0.125 2.264 2.090 425 HB VAL 57 HB VAL 57 -1.101 1.712 -0.127 426 HG11 VAL 57 1HG1 VAL 57 -3.477 1.722 -0.456 427 HG12 VAL 57 2HG1 VAL 57 -3.662 1.650 1.298 428 HG13 VAL 57 3HG1 VAL 57 -2.858 0.339 0.449 429 HG21 VAL 57 3HG2 VAL 57 -0.904 4.064 0.639 430 HG22 VAL 57 1HG2 VAL 57 -2.572 3.973 1.172 431 HG23 VAL 57 2HG2 VAL 57 -2.176 3.791 -0.542 432 H THR 58 H THR 58 -0.709 3.742 3.593 433 HA THR 58 HA THR 58 -3.043 3.106 5.220 434 HB THR 58 HB THR 58 -1.885 4.688 6.849 435 HG1 THR 58 1HG THR 58 0.145 5.235 6.449 436 HG21 THR 58 3HG2 THR 58 -0.534 2.087 6.066 437 HG22 THR 58 1HG2 THR 58 -1.881 2.268 7.191 438 HG23 THR 58 2HG2 THR 58 -0.290 2.926 7.590 439 H ARG 59 H ARG 59 -1.573 5.484 3.192 440 HA ARG 59 HA ARG 59 -4.014 7.056 3.329 441 HB2 ARG 59 2HB ARG 59 -1.266 7.959 3.892 442 HB3 ARG 59 1HB ARG 59 -2.227 8.998 2.856 443 HG2 ARG 59 2HG ARG 59 -3.938 9.118 4.616 444 HG3 ARG 59 1HG ARG 59 -2.915 8.112 5.651 445 HD2 ARG 59 2HD ARG 59 -1.248 9.742 5.765 446 HD3 ARG 59 1HD ARG 59 -1.923 10.664 4.426 447 HE ARG 59 HE ARG 59 -3.828 10.575 6.434 448 HH11 ARG 59 1HH1 ARG 59 -0.555 11.866 6.021 449 HH12 ARG 59 2HH1 ARG 59 -0.830 13.260 6.954 450 HH21 ARG 59 1HH2 ARG 59 -4.204 12.554 7.698 451 HH22 ARG 59 2HH2 ARG 59 -2.946 13.673 7.902 452 H VAL 60 H VAL 60 -4.758 7.497 1.380 453 HA VAL 60 HA VAL 60 -2.896 7.373 -0.861 454 HB VAL 60 HB VAL 60 -5.852 6.503 -0.875 455 HG11 VAL 60 1HG1 VAL 60 -5.671 6.116 -3.194 456 HG12 VAL 60 2HG1 VAL 60 -4.020 6.733 -3.181 457 HG13 VAL 60 3HG1 VAL 60 -5.367 7.824 -2.843 458 HG21 VAL 60 3HG2 VAL 60 -4.276 4.839 -0.088 459 HG22 VAL 60 1HG2 VAL 60 -3.352 5.062 -1.572 460 HG23 VAL 60 2HG2 VAL 60 -4.997 4.411 -1.646 461 H SER 61 H SER 61 -2.969 9.044 -2.244 462 HA SER 61 HA SER 61 -3.908 11.550 -1.396 463 HB2 SER 61 2HB SER 61 -2.067 10.936 -3.133 464 HB3 SER 61 1HB SER 61 -3.471 10.740 -4.209 465 HG SER 61 HG SER 61 -2.767 13.095 -2.813 466 H GLU 62 H GLU 62 -6.001 12.105 -1.348 467 HA GLU 62 HA GLU 62 -8.089 10.628 -2.656 468 HB2 GLU 62 2HB GLU 62 -9.532 12.274 -1.610 469 HB3 GLU 62 1HB GLU 62 -8.372 11.531 -0.472 470 HG2 GLU 62 2HG GLU 62 -6.964 13.513 -0.725 471 HG3 GLU 62 1HG GLU 62 -8.175 14.212 -1.777 472 H GLY 63 H GLY 63 -6.098 12.766 -3.806 473 HA2 GLY 63 2HA GLY 63 -7.871 13.478 -5.989 474 HA3 GLY 63 1HA GLY 63 -7.139 14.807 -5.079 475 H GLY 64 H GLY 64 -5.604 11.747 -5.528 476 HA2 GLY 64 2HA GLY 64 -3.677 13.044 -7.308 477 HA3 GLY 64 1HA GLY 64 -3.178 12.106 -5.909 478 HA PRO 65 HA PRO 65 -3.219 9.702 -9.973 479 HB2 PRO 65 2HB PRO 65 -0.773 8.580 -9.560 480 HB3 PRO 65 1HB PRO 65 -1.015 10.103 -10.406 481 HG2 PRO 65 2HG PRO 65 -0.165 9.616 -7.579 482 HG3 PRO 65 1HG PRO 65 0.383 10.857 -8.700 483 HD2 PRO 65 2HD PRO 65 -1.440 11.313 -6.717 484 HD3 PRO 65 1HD PRO 65 -1.435 12.228 -8.254 485 H ALA 66 H ALA 66 -2.345 8.848 -6.785 486 HA ALA 66 HA ALA 66 -2.259 6.076 -6.943 487 HB1 ALA 66 1HB ALA 66 -2.550 6.096 -4.536 488 HB2 ALA 66 2HB ALA 66 -3.062 7.796 -4.615 489 HB3 ALA 66 3HB ALA 66 -1.421 7.345 -5.055 490 H GLU 67 H GLU 67 -5.061 8.049 -5.818 491 HA GLU 67 HA GLU 67 -6.673 5.700 -5.951 492 HB2 GLU 67 2HB GLU 67 -8.591 7.143 -5.467 493 HB3 GLU 67 1HB GLU 67 -7.281 7.353 -4.318 494 HG2 GLU 67 2HG GLU 67 -6.840 9.478 -5.009 495 HG3 GLU 67 1HG GLU 67 -7.459 9.222 -6.628 496 H ILE 68 H ILE 68 -6.049 8.381 -8.078 497 HA ILE 68 HA ILE 68 -8.071 8.070 -9.933 498 HB ILE 68 HB ILE 68 -5.198 8.910 -10.255 499 HG12 ILE 68 2HG1 ILE 68 -6.520 10.455 -8.960 500 HG13 ILE 68 1HG1 ILE 68 -6.144 11.175 -10.519 501 HG21 ILE 68 1HG2 ILE 68 -7.301 9.059 -12.410 502 HG22 ILE 68 2HG2 ILE 68 -5.843 8.057 -12.414 503 HG23 ILE 68 3HG2 ILE 68 -5.703 9.813 -12.478 504 HD11 ILE 68 3HD1 ILE 68 -8.783 9.980 -9.689 505 HD12 ILE 68 1HD1 ILE 68 -8.415 10.632 -11.289 506 HD13 ILE 68 2HD1 ILE 68 -8.403 11.688 -9.880 507 H ALA 69 H ALA 69 -5.027 6.318 -9.667 508 HA ALA 69 HA ALA 69 -5.561 4.664 -11.933 509 HB1 ALA 69 1HB ALA 69 -3.649 4.251 -9.670 510 HB2 ALA 69 2HB ALA 69 -3.298 5.093 -11.185 511 HB3 ALA 69 3HB ALA 69 -3.701 3.369 -11.195 512 H GLY 70 H GLY 70 -5.508 3.989 -8.440 513 HA2 GLY 70 2HA GLY 70 -7.860 2.733 -8.077 514 HA3 GLY 70 1HA GLY 70 -6.945 1.503 -8.930 515 H LEU 71 H LEU 71 -5.376 3.671 -6.714 516 HA LEU 71 HA LEU 71 -4.851 1.420 -4.970 517 HB2 LEU 71 2HB LEU 71 -2.978 2.707 -5.788 518 HB3 LEU 71 1HB LEU 71 -3.666 4.183 -5.171 519 HG LEU 71 HG LEU 71 -2.790 3.802 -3.026 520 HD11 LEU 71 1HD1 LEU 71 -2.267 1.506 -2.205 521 HD12 LEU 71 2HD1 LEU 71 -2.666 0.829 -3.781 522 HD13 LEU 71 3HD1 LEU 71 -3.939 1.508 -2.767 523 HD21 LEU 71 3HD2 LEU 71 -1.099 2.144 -4.850 524 HD22 LEU 71 1HD2 LEU 71 -0.610 2.893 -3.334 525 HD23 LEU 71 2HD2 LEU 71 -1.067 3.903 -4.707 526 H GLN 72 H GLN 72 -6.075 1.096 -3.215 527 HA GLN 72 HA GLN 72 -7.479 3.422 -2.118 528 HB2 GLN 72 2HB GLN 72 -8.299 0.510 -2.038 529 HB3 GLN 72 1HB GLN 72 -9.202 1.878 -1.393 530 HG2 GLN 72 2HG GLN 72 -8.554 1.471 -4.292 531 HG3 GLN 72 1HG GLN 72 -10.079 1.030 -3.524 532 HE21 GLN 72 1HE2 GLN 72 -7.988 3.677 -4.353 533 HE22 GLN 72 2HE2 GLN 72 -9.202 4.882 -4.418 534 H ILE 73 H ILE 73 -7.406 3.637 0.007 535 HA ILE 73 HA ILE 73 -5.199 2.784 1.455 536 HB ILE 73 HB ILE 73 -7.863 3.761 2.519 537 HG12 ILE 73 2HG1 ILE 73 -5.234 5.160 2.046 538 HG13 ILE 73 1HG1 ILE 73 -6.663 5.338 1.047 539 HG21 ILE 73 1HG2 ILE 73 -6.681 2.554 4.259 540 HG22 ILE 73 2HG2 ILE 73 -6.682 4.291 4.581 541 HG23 ILE 73 3HG2 ILE 73 -5.233 3.511 3.949 542 HD11 ILE 73 3HD1 ILE 73 -6.361 6.142 3.920 543 HD12 ILE 73 1HD1 ILE 73 -7.836 6.333 2.966 544 HD13 ILE 73 2HD1 ILE 73 -6.370 7.220 2.524 545 H GLY 74 H GLY 74 -4.676 0.971 2.617 546 HA2 GLY 74 2HA GLY 74 -5.242 -0.857 4.017 547 HA3 GLY 74 1HA GLY 74 -6.823 -0.913 3.257 548 H ASP 75 H ASP 75 -4.779 -0.450 0.738 549 HA ASP 75 HA ASP 75 -4.964 -3.241 -0.011 550 HB2 ASP 75 2HB ASP 75 -4.016 -0.779 -1.487 551 HB3 ASP 75 1HB ASP 75 -3.863 -2.389 -2.160 552 H LYS 76 H LYS 76 -3.404 -4.718 0.075 553 HA LYS 76 HA LYS 76 -0.782 -3.968 1.102 554 HB2 LYS 76 2HB LYS 76 -1.935 -6.695 0.364 555 HB3 LYS 76 1HB LYS 76 -0.283 -6.456 0.862 556 HG2 LYS 76 2HG LYS 76 -1.471 -7.368 2.706 557 HG3 LYS 76 1HG LYS 76 -1.146 -5.685 3.087 558 HD2 LYS 76 2HD LYS 76 -3.426 -5.088 2.612 559 HD3 LYS 76 1HD LYS 76 -3.761 -6.701 1.986 560 HE2 LYS 76 2HE LYS 76 -2.949 -6.128 4.847 561 HE3 LYS 76 1HE LYS 76 -4.617 -6.307 4.315 562 HZ1 LYS 76 3HZ LYS 76 -4.085 -8.610 3.646 563 HZ2 LYS 76 1HZ LYS 76 -3.797 -8.376 5.267 564 HZ3 LYS 76 2HZ LYS 76 -2.512 -8.475 4.223 565 H ILE 77 H ILE 77 0.781 -3.372 -0.277 566 HA ILE 77 HA ILE 77 0.366 -3.881 -3.100 567 HB ILE 77 HB ILE 77 2.710 -2.362 -1.906 568 HG12 ILE 77 2HG1 ILE 77 1.453 -0.256 -2.728 569 HG13 ILE 77 1HG1 ILE 77 -0.000 -1.227 -2.721 570 HG21 ILE 77 1HG2 ILE 77 2.988 -3.146 -4.148 571 HG22 ILE 77 2HG2 ILE 77 2.834 -1.386 -4.131 572 HG23 ILE 77 3HG2 ILE 77 1.474 -2.389 -4.639 573 HD11 ILE 77 3HD1 ILE 77 0.171 0.135 -0.737 574 HD12 ILE 77 1HD1 ILE 77 1.724 -0.594 -0.340 575 HD13 ILE 77 2HD1 ILE 77 0.259 -1.574 -0.323 576 H MET 78 H MET 78 1.363 -5.475 -4.163 577 HA MET 78 HA MET 78 3.419 -7.000 -2.703 578 HB2 MET 78 2HB MET 78 1.713 -7.768 -5.063 579 HB3 MET 78 1HB MET 78 2.937 -8.788 -4.350 580 HG2 MET 78 2HG MET 78 0.433 -7.849 -2.960 581 HG3 MET 78 1HG MET 78 0.622 -9.400 -3.756 582 HE1 MET 78 3HE MET 78 2.405 -7.119 -0.976 583 HE2 MET 78 1HE MET 78 2.158 -8.191 0.406 584 HE3 MET 78 2HE MET 78 0.777 -7.536 -0.470 585 H GLN 79 H GLN 79 3.015 -4.894 -5.321 586 HA GLN 79 HA GLN 79 5.651 -5.518 -6.373 587 HB2 GLN 79 2HB GLN 79 4.240 -7.030 -7.592 588 HB3 GLN 79 1HB GLN 79 3.076 -5.748 -7.898 589 HG2 GLN 79 2HG GLN 79 4.465 -6.327 -9.863 590 HG3 GLN 79 1HG GLN 79 4.641 -4.643 -9.369 591 HE21 GLN 79 1HE2 GLN 79 6.490 -4.315 -10.115 592 HE22 GLN 79 2HE2 GLN 79 7.946 -5.102 -9.560 593 H VAL 80 H VAL 80 6.633 -3.639 -7.097 594 HA VAL 80 HA VAL 80 4.997 -1.315 -7.761 595 HB VAL 80 HB VAL 80 7.107 -1.270 -5.573 596 HG11 VAL 80 1HG1 VAL 80 7.532 0.640 -6.951 597 HG12 VAL 80 2HG1 VAL 80 6.748 1.181 -5.460 598 HG13 VAL 80 3HG1 VAL 80 5.832 1.073 -6.967 599 HG21 VAL 80 3HG2 VAL 80 5.011 -1.878 -4.731 600 HG22 VAL 80 1HG2 VAL 80 4.179 -0.612 -5.614 601 HG23 VAL 80 2HG2 VAL 80 5.271 -0.190 -4.301 602 H ASN 81 H ASN 81 5.620 -0.974 -9.756 603 HA ASN 81 HA ASN 81 6.781 -0.307 -11.520 604 HB2 ASN 81 2HB ASN 81 7.318 1.401 -9.662 605 HB3 ASN 81 1HB ASN 81 8.912 0.662 -9.680 606 HD21 ASN 81 1HD2 ASN 81 6.993 1.076 -12.615 607 HD22 ASN 81 2HD2 ASN 81 7.917 2.346 -13.255 608 H GLY 82 H GLY 82 7.250 -2.899 -10.919 609 HA2 GLY 82 2HA GLY 82 8.505 -4.570 -11.748 610 HA3 GLY 82 1HA GLY 82 9.781 -3.418 -12.225 611 H TRP 83 H TRP 83 9.002 -3.066 -9.013 612 HA TRP 83 HA TRP 83 11.063 -4.970 -8.138 613 HB2 TRP 83 2HB TRP 83 12.173 -3.238 -7.186 614 HB3 TRP 83 1HB TRP 83 10.970 -2.136 -7.817 615 HD1 TRP 83 HD TRP 83 8.709 -2.025 -6.011 616 HE1 TRP 83 1HE TRP 83 8.849 -1.604 -3.433 617 HE3 TRP 83 3HE TRP 83 13.537 -3.403 -5.237 618 HZ2 TRP 83 2HZ TRP 83 10.740 -1.774 -1.452 619 HZ3 TRP 83 3HZ TRP 83 14.464 -3.239 -2.967 620 HH2 TRP 83 HH TRP 83 13.102 -2.445 -1.103 621 H ASP 84 H ASP 84 10.695 -6.039 -6.130 622 HA ASP 84 HA ASP 84 7.889 -6.687 -5.795 623 HB2 ASP 84 2HB ASP 84 10.370 -7.801 -4.536 624 HB3 ASP 84 1HB ASP 84 8.763 -8.404 -4.183 625 H MET 85 H MET 85 6.647 -5.784 -4.346 626 HA MET 85 HA MET 85 7.929 -4.587 -1.981 627 HB2 MET 85 2HB MET 85 6.695 -2.922 -3.398 628 HB3 MET 85 1HB MET 85 5.249 -3.874 -3.208 629 HG2 MET 85 2HG MET 85 4.956 -3.329 -0.993 630 HG3 MET 85 1HG MET 85 6.619 -2.807 -0.773 631 HE1 MET 85 3HE MET 85 7.179 -0.747 -3.072 632 HE2 MET 85 1HE MET 85 7.520 -0.469 -1.363 633 HE3 MET 85 2HE MET 85 6.648 0.745 -2.297 634 H THR 86 H THR 86 6.400 -7.253 -2.864 635 HA THR 86 HA THR 86 4.439 -7.718 -0.950 636 HB THR 86 HB THR 86 4.492 -9.170 -2.813 637 HG1 THR 86 1HG THR 86 3.752 -10.325 -1.156 638 HG21 THR 86 3HG2 THR 86 7.283 -9.948 -1.992 639 HG22 THR 86 1HG2 THR 86 6.816 -9.050 -3.430 640 HG23 THR 86 2HG2 THR 86 6.360 -10.746 -3.273 641 H MET 87 H MET 87 7.902 -8.042 -0.633 642 HA MET 87 HA MET 87 7.532 -8.354 2.222 643 HB2 MET 87 2HB MET 87 7.881 -10.659 1.436 644 HB3 MET 87 1HB MET 87 9.326 -10.163 0.571 645 HG2 MET 87 2HG MET 87 10.458 -9.680 2.652 646 HG3 MET 87 1HG MET 87 8.990 -10.022 3.561 647 HE1 MET 87 3HE MET 87 11.420 -12.988 4.485 648 HE2 MET 87 1HE MET 87 10.483 -11.629 5.103 649 HE3 MET 87 2HE MET 87 11.913 -11.340 4.106 650 H VAL 88 H VAL 88 8.202 -6.347 2.604 651 HA VAL 88 HA VAL 88 10.994 -5.771 2.383 652 HB VAL 88 HB VAL 88 10.198 -5.161 0.120 653 HG11 VAL 88 1HG1 VAL 88 8.655 -3.268 -0.182 654 HG12 VAL 88 2HG1 VAL 88 8.353 -3.288 1.557 655 HG13 VAL 88 3HG1 VAL 88 7.880 -4.659 0.577 656 HG21 VAL 88 3HG2 VAL 88 11.029 -2.868 0.081 657 HG22 VAL 88 1HG2 VAL 88 12.019 -3.906 1.103 658 HG23 VAL 88 2HG2 VAL 88 10.865 -2.789 1.833 659 H THR 89 H THR 89 11.580 -4.036 3.685 660 HA THR 89 HA THR 89 9.935 -3.565 5.913 661 HB THR 89 HB THR 89 11.774 -1.872 6.428 662 HG1 THR 89 1HG THR 89 13.343 -3.248 4.599 663 HG21 THR 89 3HG2 THR 89 11.593 -4.155 7.333 664 HG22 THR 89 1HG2 THR 89 13.265 -3.603 7.168 665 HG23 THR 89 2HG2 THR 89 12.589 -4.733 5.993 666 H HIS 90 H HIS 90 9.300 -1.583 6.650 667 HA HIS 90 HA HIS 90 7.866 0.088 4.947 668 HB2 HIS 90 2HB HIS 90 7.505 -0.063 7.350 669 HB3 HIS 90 1HB HIS 90 9.048 0.680 7.672 670 HD1 HIS 90 1HD HIS 90 5.489 1.451 7.235 671 HD2 HIS 90 2HD HIS 90 9.059 3.511 6.778 672 HE1 HIS 90 1HE HIS 90 4.881 3.834 6.925 673 H ASP 91 H ASP 91 11.106 0.380 6.293 674 HA ASP 91 HA ASP 91 11.761 2.943 5.427 675 HB2 ASP 91 2HB ASP 91 12.941 1.530 7.100 676 HB3 ASP 91 1HB ASP 91 13.608 0.607 5.769 677 H GLN 92 H GLN 92 12.434 -0.219 3.956 678 HA GLN 92 HA GLN 92 13.754 0.927 1.709 679 HB2 GLN 92 2HB GLN 92 13.118 -1.771 2.627 680 HB3 GLN 92 1HB GLN 92 12.988 -1.599 0.892 681 HG2 GLN 92 2HG GLN 92 15.202 -2.357 1.469 682 HG3 GLN 92 1HG GLN 92 15.278 -0.747 0.776 683 HE21 GLN 92 1HE2 GLN 92 14.372 -1.488 4.129 684 HE22 GLN 92 2HE2 GLN 92 15.793 -0.769 4.799 685 H ALA 93 H ALA 93 10.491 0.012 2.379 686 HA ALA 93 HA ALA 93 9.605 0.199 -0.320 687 HB1 ALA 93 1HB ALA 93 7.361 0.078 0.625 688 HB2 ALA 93 2HB ALA 93 8.040 0.310 2.236 689 HB3 ALA 93 3HB ALA 93 8.440 -1.135 1.310 690 H ARG 94 H ARG 94 9.613 2.342 2.470 691 HA ARG 94 HA ARG 94 8.136 4.449 1.504 692 HB2 ARG 94 2HB ARG 94 10.383 4.312 3.442 693 HB3 ARG 94 1HB ARG 94 9.867 5.901 2.945 694 HG2 ARG 94 2HG ARG 94 8.198 3.806 4.299 695 HG3 ARG 94 1HG ARG 94 8.870 5.252 5.038 696 HD2 ARG 94 2HD ARG 94 7.455 6.503 3.177 697 HD3 ARG 94 1HD ARG 94 6.615 4.942 3.131 698 HE ARG 94 HE ARG 94 6.575 5.388 5.676 699 HH11 ARG 94 1HH1 ARG 94 5.753 7.622 3.021 700 HH12 ARG 94 2HH1 ARG 94 4.620 8.492 3.952 701 HH21 ARG 94 1HH2 ARG 94 4.951 6.614 6.900 702 HH22 ARG 94 2HH2 ARG 94 4.188 7.930 6.135 703 H LYS 95 H LYS 95 11.513 3.795 1.058 704 HA LYS 95 HA LYS 95 11.866 6.186 -0.535 705 HB2 LYS 95 2HB LYS 95 13.563 5.415 1.162 706 HB3 LYS 95 1HB LYS 95 13.891 4.030 0.133 707 HG2 LYS 95 2HG LYS 95 14.739 5.471 -1.607 708 HG3 LYS 95 1HG LYS 95 14.272 6.907 -0.693 709 HD2 LYS 95 2HD LYS 95 15.827 6.275 1.084 710 HD3 LYS 95 1HD LYS 95 16.285 4.840 0.170 711 HE2 LYS 95 2HE LYS 95 16.632 7.679 -0.783 712 HE3 LYS 95 1HE LYS 95 17.900 6.707 -0.040 713 HZ1 LYS 95 3HZ LYS 95 16.510 6.110 -2.604 714 HZ2 LYS 95 1HZ LYS 95 17.681 5.129 -1.867 715 HZ3 LYS 95 2HZ LYS 95 18.087 6.674 -2.409 716 H ARG 96 H ARG 96 10.073 4.371 -1.463 717 HA ARG 96 HA ARG 96 11.130 3.871 -4.074 718 HB2 ARG 96 2HB ARG 96 11.365 1.687 -2.962 719 HB3 ARG 96 1HB ARG 96 9.686 1.752 -2.464 720 HG2 ARG 96 2HG ARG 96 9.919 0.249 -4.328 721 HG3 ARG 96 1HG ARG 96 9.005 1.668 -4.829 722 HD2 ARG 96 2HD ARG 96 10.955 2.576 -5.943 723 HD3 ARG 96 1HD ARG 96 11.952 1.255 -5.326 724 HE ARG 96 HE ARG 96 9.858 0.110 -6.722 725 HH11 ARG 96 1HH1 ARG 96 12.624 2.175 -7.507 726 HH12 ARG 96 2HH1 ARG 96 12.820 1.599 -9.069 727 HH21 ARG 96 1HH2 ARG 96 10.158 -0.746 -8.888 728 HH22 ARG 96 2HH2 ARG 96 11.399 -0.142 -9.869 729 H LEU 97 H LEU 97 8.294 3.783 -1.891 730 HA LEU 97 HA LEU 97 6.726 4.559 -4.193 731 HB2 LEU 97 2HB LEU 97 4.770 4.011 -3.063 732 HB3 LEU 97 1HB LEU 97 5.939 2.835 -2.509 733 HG LEU 97 HG LEU 97 4.670 3.302 -0.672 734 HD11 LEU 97 1HD1 LEU 97 6.872 3.306 0.008 735 HD12 LEU 97 2HD1 LEU 97 5.967 4.485 0.963 736 HD13 LEU 97 3HD1 LEU 97 7.033 5.026 -0.335 737 HD21 LEU 97 3HD2 LEU 97 4.072 5.536 0.172 738 HD22 LEU 97 1HD2 LEU 97 3.375 5.163 -1.407 739 HD23 LEU 97 2HD2 LEU 97 4.770 6.232 -1.292 740 H THR 98 H THR 98 8.059 6.108 -1.402 741 HA THR 98 HA THR 98 6.662 8.481 -2.361 742 HB THR 98 HB THR 98 5.813 7.927 -0.126 743 HG1 THR 98 1HG THR 98 7.378 10.259 -0.287 744 HG21 THR 98 3HG2 THR 98 7.669 6.757 0.818 745 HG22 THR 98 1HG2 THR 98 7.240 8.103 1.870 746 HG23 THR 98 2HG2 THR 98 8.658 8.221 0.816 747 H LYS 99 H LYS 99 9.366 7.131 -2.847 748 HA LYS 99 HA LYS 99 11.193 9.262 -2.322 749 HB2 LYS 99 2HB LYS 99 12.731 8.137 -3.767 750 HB3 LYS 99 1HB LYS 99 11.870 6.877 -2.890 751 HG2 LYS 99 2HG LYS 99 10.755 6.146 -4.713 752 HG3 LYS 99 1HG LYS 99 10.790 7.721 -5.522 753 HD2 LYS 99 2HD LYS 99 12.353 6.506 -6.796 754 HD3 LYS 99 1HD LYS 99 13.320 7.323 -5.586 755 HE2 LYS 99 2HE LYS 99 13.471 5.360 -4.256 756 HE3 LYS 99 1HE LYS 99 12.347 4.536 -5.331 757 HZ1 LYS 99 3HZ LYS 99 15.038 5.498 -6.156 758 HZ2 LYS 99 1HZ LYS 99 13.878 4.753 -7.138 759 HZ3 LYS 99 2HZ LYS 99 14.599 3.909 -5.862 760 H ARG 100 H ARG 100 12.229 10.340 -4.421 761 HA ARG 100 HA ARG 100 9.937 11.376 -5.959 762 HB2 ARG 100 2HB ARG 100 11.230 13.503 -6.123 763 HB3 ARG 100 1HB ARG 100 10.726 13.082 -4.492 764 HG2 ARG 100 2HG ARG 100 12.914 12.440 -3.882 765 HG3 ARG 100 1HG ARG 100 13.456 12.455 -5.557 766 HD2 ARG 100 2HD ARG 100 12.564 14.852 -3.965 767 HD3 ARG 100 1HD ARG 100 14.237 14.418 -4.335 768 HE ARG 100 HE ARG 100 13.110 14.496 -6.763 769 HH11 ARG 100 1HH1 ARG 100 13.288 16.856 -4.156 770 HH12 ARG 100 2HH1 ARG 100 12.986 18.197 -5.172 771 HH21 ARG 100 1HH2 ARG 100 12.784 16.301 -8.142 772 HH22 ARG 100 2HH2 ARG 100 12.746 17.888 -7.500 773 H SER 101 H SER 101 12.526 9.506 -6.286 774 HA SER 101 HA SER 101 13.685 10.524 -8.687 775 HB2 SER 101 2HB SER 101 13.812 7.919 -7.296 776 HB3 SER 101 1HB SER 101 14.778 8.275 -8.743 777 HG SER 101 HG SER 101 16.120 9.025 -7.325 778 H GLU 102 H GLU 102 11.086 8.381 -7.958 779 HA GLU 102 HA GLU 102 11.018 7.227 -10.604 780 HB2 GLU 102 2HB GLU 102 8.921 6.992 -8.435 781 HB3 GLU 102 1HB GLU 102 9.011 6.025 -9.889 782 HG2 GLU 102 2HG GLU 102 10.696 5.909 -7.421 783 HG3 GLU 102 1HG GLU 102 9.786 4.641 -8.205 784 H GLU 103 H GLU 103 8.658 7.171 -11.570 785 HA GLU 103 HA GLU 103 7.299 9.667 -11.269 786 HB2 GLU 103 2HB GLU 103 7.251 10.046 -13.738 787 HB3 GLU 103 1HB GLU 103 8.808 10.390 -12.979 788 HG2 GLU 103 2HG GLU 103 9.297 7.968 -13.746 789 HG3 GLU 103 1HG GLU 103 7.956 8.229 -14.836 790 H VAL 104 H VAL 104 7.213 7.028 -13.678 791 HA VAL 104 HA VAL 104 4.434 6.649 -12.875 792 HB VAL 104 HB VAL 104 5.765 5.568 -15.371 793 HG11 VAL 104 1HG1 VAL 104 3.388 5.263 -16.089 794 HG12 VAL 104 2HG1 VAL 104 2.979 5.562 -14.375 795 HG13 VAL 104 3HG1 VAL 104 3.987 4.208 -14.809 796 HG21 VAL 104 3HG2 VAL 104 4.575 7.272 -16.612 797 HG22 VAL 104 1HG2 VAL 104 5.716 7.971 -15.459 798 HG23 VAL 104 2HG2 VAL 104 3.979 7.969 -15.094 799 H VAL 105 H VAL 105 3.948 4.909 -11.846 800 HA VAL 105 HA VAL 105 5.897 2.730 -11.791 801 HB VAL 105 HB VAL 105 5.343 2.407 -9.390 802 HG11 VAL 105 1HG1 VAL 105 6.520 5.125 -10.064 803 HG12 VAL 105 2HG1 VAL 105 7.408 3.604 -10.049 804 HG13 VAL 105 3HG1 VAL 105 6.758 4.259 -8.545 805 HG21 VAL 105 3HG2 VAL 105 4.077 5.128 -9.641 806 HG22 VAL 105 1HG2 VAL 105 4.312 4.232 -8.142 807 HG23 VAL 105 2HG2 VAL 105 3.211 3.613 -9.377 808 H ARG 106 H ARG 106 5.046 0.733 -12.012 809 HA ARG 106 HA ARG 106 2.142 0.517 -11.998 810 HB2 ARG 106 2HB ARG 106 4.232 -1.244 -13.283 811 HB3 ARG 106 1HB ARG 106 2.518 -1.622 -13.241 812 HG2 ARG 106 2HG ARG 106 2.006 0.447 -14.428 813 HG3 ARG 106 1HG ARG 106 3.724 0.822 -14.505 814 HD2 ARG 106 2HD ARG 106 4.114 -1.127 -15.868 815 HD3 ARG 106 1HD ARG 106 2.416 -1.604 -15.712 816 HE ARG 106 HE ARG 106 2.348 0.942 -16.662 817 HH11 ARG 106 1HH1 ARG 106 3.701 -2.123 -17.839 818 HH12 ARG 106 2HH1 ARG 106 3.613 -1.666 -19.481 819 HH21 ARG 106 1HH2 ARG 106 2.202 1.518 -18.858 820 HH22 ARG 106 2HH2 ARG 106 2.710 0.448 -20.087 821 H LEU 107 H LEU 107 1.275 -0.336 -10.360 822 HA LEU 107 HA LEU 107 2.946 -1.917 -8.534 823 HB2 LEU 107 2HB LEU 107 0.434 -0.552 -7.789 824 HB3 LEU 107 1HB LEU 107 1.798 -0.965 -6.781 825 HG LEU 107 HG LEU 107 1.613 1.328 -8.728 826 HD11 LEU 107 1HD1 LEU 107 0.361 1.700 -6.775 827 HD12 LEU 107 2HD1 LEU 107 1.855 2.661 -6.690 828 HD13 LEU 107 3HD1 LEU 107 1.697 1.175 -5.749 829 HD21 LEU 107 3HD2 LEU 107 3.768 2.009 -8.010 830 HD22 LEU 107 1HD2 LEU 107 3.894 0.360 -8.610 831 HD23 LEU 107 2HD2 LEU 107 3.876 0.687 -6.864 832 H LEU 108 H LEU 108 1.762 -3.523 -7.425 833 HA LEU 108 HA LEU 108 -0.855 -4.225 -8.505 834 HB2 LEU 108 2HB LEU 108 1.519 -5.748 -8.854 835 HB3 LEU 108 1HB LEU 108 0.442 -6.661 -7.798 836 HG LEU 108 HG LEU 108 -1.288 -6.200 -9.683 837 HD11 LEU 108 1HD1 LEU 108 -0.349 -5.893 -11.894 838 HD12 LEU 108 2HD1 LEU 108 1.256 -5.695 -11.194 839 HD13 LEU 108 3HD1 LEU 108 -0.005 -4.510 -10.853 840 HD21 LEU 108 3HD2 LEU 108 1.059 -8.040 -10.156 841 HD22 LEU 108 1HD2 LEU 108 -0.513 -8.159 -10.947 842 HD23 LEU 108 2HD2 LEU 108 -0.381 -8.414 -9.209 843 H VAL 109 H VAL 109 -2.237 -4.397 -6.952 844 HA VAL 109 HA VAL 109 -1.164 -4.857 -4.272 845 HB VAL 109 HB VAL 109 -2.967 -3.594 -3.296 846 HG11 VAL 109 1HG1 VAL 109 -1.604 -1.936 -5.396 847 HG12 VAL 109 2HG1 VAL 109 -0.910 -2.461 -3.868 848 HG13 VAL 109 3HG1 VAL 109 -2.301 -1.370 -3.865 849 HG21 VAL 109 3HG2 VAL 109 -4.676 -3.962 -4.958 850 HG22 VAL 109 1HG2 VAL 109 -3.811 -2.915 -6.083 851 HG23 VAL 109 2HG2 VAL 109 -4.502 -2.249 -4.591 852 H THR 110 H THR 110 -2.543 -5.952 -2.727 853 HA THR 110 HA THR 110 -4.488 -7.629 -3.949 854 HB THR 110 HB THR 110 -3.599 -9.250 -2.286 855 HG1 THR 110 1HG THR 110 -1.536 -7.283 -2.256 856 HG21 THR 110 3HG2 THR 110 -1.791 -8.599 -4.579 857 HG22 THR 110 1HG2 THR 110 -3.266 -9.597 -4.606 858 HG23 THR 110 2HG2 THR 110 -1.862 -10.120 -3.663 859 H ARG 111 H ARG 111 -6.181 -7.605 -2.670 860 HA ARG 111 HA ARG 111 -6.218 -5.690 -0.506 861 HB2 ARG 111 2HB ARG 111 -8.208 -5.979 -2.048 862 HB3 ARG 111 1HB ARG 111 -8.522 -7.498 -1.228 863 HG2 ARG 111 2HG ARG 111 -9.939 -5.733 -0.313 864 HG3 ARG 111 1HG ARG 111 -8.791 -6.304 0.897 865 HD2 ARG 111 2HD ARG 111 -7.372 -4.395 0.515 866 HD3 ARG 111 1HD ARG 111 -8.395 -3.853 -0.810 867 HE ARG 111 HE ARG 111 -9.807 -4.078 1.661 868 HH11 ARG 111 1HH1 ARG 111 -7.656 -1.978 -0.217 869 HH12 ARG 111 2HH1 ARG 111 -8.110 -0.559 0.618 870 HH21 ARG 111 1HH2 ARG 111 -10.469 -2.150 2.738 871 HH22 ARG 111 2HH2 ARG 111 -9.795 -0.639 2.299 872 H GLN 112 H GLN 112 -7.213 -8.981 -0.662 873 HA GLN 112 HA GLN 112 -7.256 -10.684 0.821 874 HB2 GLN 112 2HB GLN 112 -4.842 -9.190 1.757 875 HB3 GLN 112 1HB GLN 112 -5.322 -10.718 2.505 876 HG2 GLN 112 2HG GLN 112 -4.649 -11.940 0.621 877 HG3 GLN 112 1HG GLN 112 -5.223 -10.594 -0.386 878 HE21 GLN 112 1HE2 GLN 112 -3.929 -8.560 0.280 879 HE22 GLN 112 2HE2 GLN 112 -2.319 -8.780 -0.238 880 H SER 113 H SER 113 -9.225 -9.687 1.313 881 HA SER 113 HA SER 113 -9.515 -9.239 4.144 882 HB2 SER 113 2HB SER 113 -9.057 -6.994 3.044 883 HB3 SER 113 1HB SER 113 -10.537 -7.219 2.121 884 HG SER 113 HG SER 113 -10.646 -7.452 4.898 885 H LEU 114 H LEU 114 -10.137 -11.264 2.148 886 HA LEU 114 HA LEU 114 -13.062 -11.096 1.903 887 HB2 LEU 114 2HB LEU 114 -11.618 -11.614 -0.138 888 HB3 LEU 114 1HB LEU 114 -11.189 -13.118 0.647 889 HG LEU 114 HG LEU 114 -13.622 -13.733 0.643 890 HD11 LEU 114 1HD1 LEU 114 -15.106 -12.552 -0.885 891 HD12 LEU 114 2HD1 LEU 114 -13.863 -11.326 -1.143 892 HD13 LEU 114 3HD1 LEU 114 -14.588 -11.531 0.454 893 HD21 LEU 114 3HD2 LEU 114 -12.097 -14.633 -1.027 894 HD22 LEU 114 1HD2 LEU 114 -12.356 -13.217 -2.043 895 HD23 LEU 114 2HD2 LEU 114 -13.686 -14.333 -1.727 896 H GLN 115 H GLN 115 -10.920 -11.887 4.007 897 HA GLN 115 HA GLN 115 -11.215 -14.507 4.798 898 HB2 GLN 115 2HB GLN 115 -10.685 -12.075 6.507 899 HB3 GLN 115 1HB GLN 115 -10.566 -13.720 7.091 900 HG2 GLN 115 2HG GLN 115 -8.368 -13.120 6.640 901 HG3 GLN 115 1HG GLN 115 -8.838 -14.053 5.227 902 HE21 GLN 115 1HE2 GLN 115 -8.010 -10.965 6.464 903 HE22 GLN 115 2HE2 GLN 115 -7.800 -10.174 4.940 904 H LYS 116 H LYS 116 -12.648 -15.608 5.895 905 HA LYS 116 HA LYS 116 -15.244 -14.425 6.436 906 HB2 LYS 116 2HB LYS 116 -14.199 -17.252 6.609 907 HB3 LYS 116 1HB LYS 116 -15.826 -16.801 7.072 908 HG2 LYS 116 2HG LYS 116 -14.705 -16.372 4.312 909 HG3 LYS 116 1HG LYS 116 -15.591 -17.817 4.797 910 HD2 LYS 116 2HD LYS 116 -17.522 -16.364 5.406 911 HD3 LYS 116 1HD LYS 116 -16.627 -14.978 4.780 912 HE2 LYS 116 2HE LYS 116 -16.564 -15.962 2.578 913 HE3 LYS 116 1HE LYS 116 -17.337 -17.427 3.173 914 HZ1 LYS 116 3HZ LYS 116 -19.343 -16.120 3.641 915 HZ2 LYS 116 1HZ LYS 116 -18.896 -15.986 2.030 916 HZ3 LYS 116 2HZ LYS 116 -18.584 -14.728 3.087 917 H ALA 117 H ALA 117 -15.959 -13.939 8.434 918 HA ALA 117 HA ALA 117 -14.104 -14.354 10.612 919 HB1 ALA 117 1HB ALA 117 -15.156 -12.157 10.444 920 HB2 ALA 117 2HB ALA 117 -15.566 -13.024 11.936 921 HB3 ALA 117 3HB ALA 117 -16.753 -12.916 10.627 922 H VAL 118 H VAL 118 -14.450 -15.637 12.240 923 HA VAL 118 HA VAL 118 -16.793 -17.335 12.211 924 HB VAL 118 HB VAL 118 -15.324 -19.376 12.606 925 HG11 VAL 118 1HG1 VAL 118 -16.357 -18.986 10.425 926 HG12 VAL 118 2HG1 VAL 118 -14.763 -19.712 10.238 927 HG13 VAL 118 3HG1 VAL 118 -14.985 -17.988 9.944 928 HG21 VAL 118 3HG2 VAL 118 -12.976 -19.268 11.861 929 HG22 VAL 118 1HG2 VAL 118 -13.269 -18.221 13.251 930 HG23 VAL 118 2HG2 VAL 118 -13.135 -17.528 11.634 931 H GLN 119 H GLN 119 -16.610 -15.431 13.803 932 HA GLN 119 HA GLN 119 -16.332 -16.753 16.343 933 HB2 GLN 119 2HB GLN 119 -15.243 -14.844 17.460 934 HB3 GLN 119 1HB GLN 119 -14.222 -15.575 16.240 935 HG2 GLN 119 2HG GLN 119 -14.738 -13.723 14.717 936 HG3 GLN 119 1HG GLN 119 -15.774 -13.013 15.951 937 HE21 GLN 119 1HE2 GLN 119 -13.363 -11.944 14.688 938 HE22 GLN 119 2HE2 GLN 119 -12.285 -11.580 15.987 939 H GLN 120 H GLN 120 -18.060 -16.655 17.376 940 HA GLN 120 HA GLN 120 -20.122 -14.684 16.789 941 HB2 GLN 120 2HB GLN 120 -20.605 -17.134 17.050 942 HB3 GLN 120 1HB GLN 120 -20.087 -17.025 18.718 943 HG2 GLN 120 2HG GLN 120 -22.472 -17.070 18.663 944 HG3 GLN 120 1HG GLN 120 -21.963 -15.459 19.144 945 HE21 GLN 120 1HE2 GLN 120 -24.468 -16.403 17.982 946 HE22 GLN 120 2HE2 GLN 120 -24.705 -15.474 16.555 947 H SER 121 H SER 121 -17.493 -15.003 18.712 948 HA SER 121 HA SER 121 -16.522 -13.876 20.315 949 HB2 SER 121 2HB SER 121 -18.900 -11.999 20.227 950 HB3 SER 121 1HB SER 121 -17.392 -11.689 21.088 951 HG SER 121 HG SER 121 -17.889 -11.805 18.328 952 H MET 122 H MET 122 -16.636 -15.649 21.510 953 HA MET 122 HA MET 122 -17.172 -15.425 24.150 954 HB2 MET 122 2HB MET 122 -19.637 -15.922 22.882 955 HB3 MET 122 1HB MET 122 -19.149 -17.478 23.552 956 HG2 MET 122 2HG MET 122 -18.911 -16.438 25.761 957 HG3 MET 122 1HG MET 122 -19.405 -14.893 25.070 958 HE1 MET 122 3HE MET 122 -22.511 -15.758 27.222 959 HE2 MET 122 1HE MET 122 -21.325 -14.528 26.787 960 HE3 MET 122 2HE MET 122 -20.810 -15.994 27.615 961 H LEU 123 H LEU 123 -17.917 -17.986 21.821 962 HA LEU 123 HA LEU 123 -17.168 -20.034 21.433 963 HB2 LEU 123 2HB LEU 123 -15.210 -18.796 20.608 964 HB3 LEU 123 1HB LEU 123 -14.480 -18.885 22.195 965 HG LEU 123 HG LEU 123 -14.378 -21.362 21.973 966 HD11 LEU 123 1HD1 LEU 123 -15.302 -20.835 19.157 967 HD12 LEU 123 2HD1 LEU 123 -16.187 -21.713 20.408 968 HD13 LEU 123 3HD1 LEU 123 -14.684 -22.368 19.766 969 HD21 LEU 123 3HD2 LEU 123 -12.541 -21.390 20.342 970 HD22 LEU 123 1HD2 LEU 123 -12.443 -20.018 21.444 971 HD23 LEU 123 2HD2 LEU 123 -13.020 -19.783 19.794 972 H SER 124 H SER 124 -14.881 -19.498 24.054 973 HA SER 124 HA SER 124 -16.268 -21.225 25.822 974 HB2 SER 124 2HB SER 124 -13.664 -22.157 24.562 975 HB3 SER 124 1HB SER 124 -14.446 -22.921 25.946 976 HG SER 124 HG SER 124 -16.195 -22.576 23.974 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -0.883 -19.242 -7.375 2 H2 GLY 1 2HT GLY 1 -0.560 -19.250 -9.013 3 H3 GLY 1 3HT GLY 1 -0.520 -20.694 -8.166 4 HA2 GLY 1 1HA GLY 1 -2.913 -20.475 -7.750 5 HA3 GLY 1 2HA GLY 1 -2.890 -19.010 -8.733 6 H SER 2 H SER 2 -4.579 -20.804 -9.618 7 HA SER 2 HA SER 2 -3.422 -22.761 -11.390 8 HB2 SER 2 2HB SER 2 -6.241 -21.687 -11.383 9 HB3 SER 2 1HB SER 2 -5.683 -23.260 -11.955 10 HG SER 2 HG SER 2 -4.898 -23.329 -9.573 11 H TYR 3 H TYR 3 -4.428 -19.512 -11.580 12 HA TYR 3 HA TYR 3 -4.234 -19.409 -14.500 13 HB2 TYR 3 2HB TYR 3 -5.575 -17.198 -14.041 14 HB3 TYR 3 1HB TYR 3 -6.421 -18.733 -13.908 15 HD1 TYR 3 2HD TYR 3 -4.507 -16.365 -11.846 16 HD2 TYR 3 1HD TYR 3 -7.661 -19.161 -11.974 17 HE1 TYR 3 2HE TYR 3 -4.947 -15.817 -9.616 18 HE2 TYR 3 1HE TYR 3 -8.202 -18.666 -9.627 19 HH TYR 3 HH TYR 3 -6.908 -16.005 -7.994 20 H ILE 4 H ILE 4 -3.899 -16.473 -14.496 21 HA ILE 4 HA ILE 4 -1.102 -16.450 -14.119 22 HB ILE 4 HB ILE 4 -2.956 -14.102 -14.684 23 HG12 ILE 4 2HG1 ILE 4 -2.954 -15.754 -16.494 24 HG13 ILE 4 1HG1 ILE 4 -2.154 -14.277 -17.007 25 HG21 ILE 4 1HG2 ILE 4 0.049 -14.174 -14.853 26 HG22 ILE 4 2HG2 ILE 4 -0.909 -13.292 -13.664 27 HG23 ILE 4 3HG2 ILE 4 -0.983 -12.836 -15.368 28 HD11 ILE 4 3HD1 ILE 4 -0.979 -16.225 -17.822 29 HD12 ILE 4 1HD1 ILE 4 -0.806 -16.845 -16.182 30 HD13 ILE 4 2HD1 ILE 4 0.022 -15.364 -16.655 31 HA PRO 5 HA PRO 5 -1.768 -13.842 -10.084 32 HB2 PRO 5 2HB PRO 5 -4.381 -13.886 -9.144 33 HB3 PRO 5 1HB PRO 5 -3.507 -12.503 -9.792 34 HG2 PRO 5 2HG PRO 5 -5.590 -14.131 -11.055 35 HG3 PRO 5 1HG PRO 5 -5.059 -12.490 -11.432 36 HD2 PRO 5 2HD PRO 5 -4.505 -14.748 -12.921 37 HD3 PRO 5 1HD PRO 5 -3.615 -13.211 -13.001 38 H GLY 6 H GLY 6 -2.229 -14.363 -7.876 39 HA2 GLY 6 2HA GLY 6 -2.717 -17.245 -7.489 40 HA3 GLY 6 1HA GLY 6 -1.427 -16.367 -6.659 41 H GLN 7 H GLN 7 -4.198 -14.591 -7.242 42 HA GLN 7 HA GLN 7 -5.179 -14.916 -4.493 43 HB2 GLN 7 2HB GLN 7 -3.816 -12.762 -5.208 44 HB3 GLN 7 1HB GLN 7 -5.281 -12.400 -6.113 45 HG2 GLN 7 2HG GLN 7 -5.255 -11.180 -4.047 46 HG3 GLN 7 1HG GLN 7 -6.563 -12.349 -4.058 47 HE21 GLN 7 1HE2 GLN 7 -3.208 -13.296 -3.436 48 HE22 GLN 7 2HE2 GLN 7 -3.472 -13.628 -1.773 49 HA PRO 8 HA PRO 8 -8.580 -16.009 -7.052 50 HB2 PRO 8 2HB PRO 8 -10.508 -16.418 -5.276 51 HB3 PRO 8 1HB PRO 8 -9.012 -17.349 -5.253 52 HG2 PRO 8 2HG PRO 8 -9.785 -15.030 -3.524 53 HG3 PRO 8 1HG PRO 8 -8.958 -16.533 -3.079 54 HD2 PRO 8 2HD PRO 8 -7.658 -14.096 -3.629 55 HD3 PRO 8 1HD PRO 8 -6.933 -15.714 -3.641 56 H VAL 9 H VAL 9 -10.943 -14.700 -5.055 57 HA VAL 9 HA VAL 9 -11.557 -12.535 -6.951 58 HB VAL 9 HB VAL 9 -14.008 -13.216 -6.770 59 HG11 VAL 9 1HG1 VAL 9 -12.705 -13.436 -8.868 60 HG12 VAL 9 2HG1 VAL 9 -13.793 -14.816 -8.689 61 HG13 VAL 9 3HG1 VAL 9 -12.079 -14.989 -8.315 62 HG21 VAL 9 3HG2 VAL 9 -13.820 -14.866 -5.025 63 HG22 VAL 9 1HG2 VAL 9 -12.734 -15.835 -6.019 64 HG23 VAL 9 2HG2 VAL 9 -14.417 -15.642 -6.499 65 H THR 10 H THR 10 -12.144 -13.936 -3.818 66 HA THR 10 HA THR 10 -13.705 -11.774 -2.812 67 HB THR 10 HB THR 10 -13.782 -14.089 -1.937 68 HG1 THR 10 1HG THR 10 -12.996 -12.885 0.386 69 HG21 THR 10 3HG2 THR 10 -11.043 -13.468 -0.818 70 HG22 THR 10 1HG2 THR 10 -11.431 -14.682 -2.033 71 HG23 THR 10 2HG2 THR 10 -12.001 -14.878 -0.375 72 H ALA 11 H ALA 11 -10.436 -12.407 -3.343 73 HA ALA 11 HA ALA 11 -9.688 -9.763 -2.564 74 HB1 ALA 11 1HB ALA 11 -7.579 -10.722 -1.827 75 HB2 ALA 11 2HB ALA 11 -8.357 -12.336 -1.844 76 HB3 ALA 11 3HB ALA 11 -8.905 -11.092 -0.701 77 H VAL 12 H VAL 12 -8.342 -9.108 -4.126 78 HA VAL 12 HA VAL 12 -7.533 -11.085 -6.103 79 HB VAL 12 HB VAL 12 -9.696 -10.116 -6.852 80 HG11 VAL 12 1HG1 VAL 12 -9.605 -7.935 -5.859 81 HG12 VAL 12 2HG1 VAL 12 -9.846 -7.781 -7.600 82 HG13 VAL 12 3HG1 VAL 12 -8.257 -7.478 -6.900 83 HG21 VAL 12 3HG2 VAL 12 -9.003 -9.471 -9.139 84 HG22 VAL 12 1HG2 VAL 12 -8.148 -10.897 -8.550 85 HG23 VAL 12 2HG2 VAL 12 -7.340 -9.331 -8.572 86 H VAL 13 H VAL 13 -5.654 -10.552 -7.182 87 HA VAL 13 HA VAL 13 -4.299 -8.280 -6.048 88 HB VAL 13 HB VAL 13 -3.078 -10.460 -6.078 89 HG11 VAL 13 1HG1 VAL 13 -3.869 -11.429 -8.080 90 HG12 VAL 13 2HG1 VAL 13 -2.106 -11.311 -8.154 91 HG13 VAL 13 3HG1 VAL 13 -3.111 -10.171 -9.053 92 HG21 VAL 13 3HG2 VAL 13 -1.819 -8.449 -5.928 93 HG22 VAL 13 1HG2 VAL 13 -1.800 -8.257 -7.684 94 HG23 VAL 13 2HG2 VAL 13 -0.934 -9.604 -6.929 95 H GLN 14 H GLN 14 -3.984 -6.558 -7.153 96 HA GLN 14 HA GLN 14 -4.756 -6.566 -9.971 97 HB2 GLN 14 2HB GLN 14 -6.103 -4.514 -9.603 98 HB3 GLN 14 1HB GLN 14 -6.735 -5.906 -8.739 99 HG2 GLN 14 2HG GLN 14 -6.880 -4.461 -7.024 100 HG3 GLN 14 1HG GLN 14 -5.164 -4.797 -6.838 101 HE21 GLN 14 1HE2 GLN 14 -3.671 -3.253 -7.660 102 HE22 GLN 14 2HE2 GLN 14 -4.176 -1.615 -7.882 103 H ARG 15 H ARG 15 -3.973 -4.752 -11.159 104 HA ARG 15 HA ARG 15 -1.433 -3.874 -10.077 105 HB2 ARG 15 2HB ARG 15 -0.727 -3.461 -12.376 106 HB3 ARG 15 1HB ARG 15 -1.340 -5.092 -12.241 107 HG2 ARG 15 2HG ARG 15 -2.193 -4.365 -14.299 108 HG3 ARG 15 1HG ARG 15 -3.533 -4.104 -13.191 109 HD2 ARG 15 2HD ARG 15 -2.938 -1.748 -12.984 110 HD3 ARG 15 1HD ARG 15 -1.578 -1.985 -14.073 111 HE ARG 15 HE ARG 15 -3.416 -2.702 -15.693 112 HH11 ARG 15 1HH1 ARG 15 -3.957 -0.252 -13.169 113 HH12 ARG 15 2HH1 ARG 15 -4.877 0.761 -14.143 114 HH21 ARG 15 1HH2 ARG 15 -4.744 -1.276 -17.030 115 HH22 ARG 15 2HH2 ARG 15 -5.330 0.191 -16.382 116 H VAL 16 H VAL 16 -0.924 -1.754 -10.029 117 HA VAL 16 HA VAL 16 -3.020 0.101 -10.809 118 HB VAL 16 HB VAL 16 -3.008 -0.497 -8.402 119 HG11 VAL 16 1HG1 VAL 16 -1.484 0.583 -6.883 120 HG12 VAL 16 2HG1 VAL 16 -0.449 0.933 -8.279 121 HG13 VAL 16 3HG1 VAL 16 -0.859 -0.738 -7.868 122 HG21 VAL 16 3HG2 VAL 16 -2.621 2.416 -8.978 123 HG22 VAL 16 1HG2 VAL 16 -3.523 1.727 -7.633 124 HG23 VAL 16 2HG2 VAL 16 -4.104 1.508 -9.280 125 H GLU 17 H GLU 17 -2.281 2.189 -11.317 126 HA GLU 17 HA GLU 17 0.585 2.282 -11.756 127 HB2 GLU 17 2HB GLU 17 -0.382 1.405 -13.808 128 HB3 GLU 17 1HB GLU 17 -1.484 2.766 -13.899 129 HG2 GLU 17 2HG GLU 17 0.315 4.281 -14.300 130 HG3 GLU 17 1HG GLU 17 1.494 3.019 -13.954 131 H ILE 18 H ILE 18 1.153 3.831 -10.602 132 HA ILE 18 HA ILE 18 -0.465 6.245 -10.447 133 HB ILE 18 HB ILE 18 1.756 5.178 -8.718 134 HG12 ILE 18 2HG1 ILE 18 0.145 6.063 -6.892 135 HG13 ILE 18 1HG1 ILE 18 -0.983 6.267 -8.228 136 HG21 ILE 18 1HG2 ILE 18 1.947 7.327 -7.545 137 HG22 ILE 18 2HG2 ILE 18 0.976 8.080 -8.807 138 HG23 ILE 18 3HG2 ILE 18 2.544 7.385 -9.202 139 HD11 ILE 18 3HD1 ILE 18 -0.980 3.901 -8.644 140 HD12 ILE 18 1HD1 ILE 18 -1.373 4.272 -6.959 141 HD13 ILE 18 2HD1 ILE 18 0.232 3.680 -7.361 142 H HIS 19 H HIS 19 -0.037 7.941 -11.512 143 HA HIS 19 HA HIS 19 2.455 8.115 -13.022 144 HB2 HIS 19 2HB HIS 19 -0.066 9.715 -13.074 145 HB3 HIS 19 1HB HIS 19 1.298 10.059 -14.144 146 HD1 HIS 19 1HD HIS 19 -1.235 9.713 -15.521 147 HD2 HIS 19 2HD HIS 19 1.021 6.454 -14.362 148 HE1 HIS 19 1HE HIS 19 -2.077 7.780 -16.904 149 H LYS 20 H LYS 20 3.771 9.919 -12.831 150 HA LYS 20 HA LYS 20 4.485 10.948 -10.462 151 HB2 LYS 20 2HB LYS 20 5.491 12.853 -11.747 152 HB3 LYS 20 1HB LYS 20 5.923 11.237 -12.268 153 HG2 LYS 20 2HG LYS 20 4.355 11.430 -14.140 154 HG3 LYS 20 1HG LYS 20 3.892 13.044 -13.587 155 HD2 LYS 20 2HD LYS 20 6.154 13.838 -13.933 156 HD3 LYS 20 1HD LYS 20 6.688 12.230 -14.407 157 HE2 LYS 20 2HE LYS 20 4.641 13.909 -15.845 158 HE3 LYS 20 1HE LYS 20 6.324 13.708 -16.329 159 HZ1 LYS 20 3HZ LYS 20 4.259 11.573 -16.223 160 HZ2 LYS 20 1HZ LYS 20 5.884 11.324 -16.639 161 HZ3 LYS 20 2HZ LYS 20 4.893 12.279 -17.603 162 H LEU 21 H LEU 21 3.655 12.157 -8.935 163 HA LEU 21 HA LEU 21 1.866 14.354 -9.680 164 HB2 LEU 21 2HB LEU 21 0.644 12.648 -8.509 165 HB3 LEU 21 1HB LEU 21 1.847 12.600 -7.237 166 HG LEU 21 HG LEU 21 1.297 14.973 -6.731 167 HD11 LEU 21 1HD1 LEU 21 -1.057 14.451 -8.550 168 HD12 LEU 21 2HD1 LEU 21 0.256 15.589 -8.835 169 HD13 LEU 21 3HD1 LEU 21 -0.872 15.861 -7.508 170 HD21 LEU 21 3HD2 LEU 21 -0.994 13.045 -6.432 171 HD22 LEU 21 1HD2 LEU 21 -0.714 14.480 -5.457 172 HD23 LEU 21 2HD2 LEU 21 0.418 13.127 -5.377 173 H ARG 22 H ARG 22 2.685 16.278 -9.193 174 HA ARG 22 HA ARG 22 4.950 16.510 -7.367 175 HB2 ARG 22 2HB ARG 22 3.478 18.595 -9.005 176 HB3 ARG 22 1HB ARG 22 4.847 18.912 -7.952 177 HG2 ARG 22 2HG ARG 22 6.273 17.529 -9.353 178 HG3 ARG 22 1HG ARG 22 4.904 17.163 -10.404 179 HD2 ARG 22 2HD ARG 22 4.703 19.508 -11.003 180 HD3 ARG 22 1HD ARG 22 5.986 19.934 -9.876 181 HE ARG 22 HE ARG 22 7.012 18.062 -11.646 182 HH11 ARG 22 1HH1 ARG 22 5.821 21.397 -11.754 183 HH12 ARG 22 2HH1 ARG 22 6.809 21.866 -13.055 184 HH21 ARG 22 1HH2 ARG 22 8.430 18.739 -13.442 185 HH22 ARG 22 2HH2 ARG 22 8.308 20.328 -14.022 186 H GLN 23 H GLN 23 4.791 16.953 -5.284 187 HA GLN 23 HA GLN 23 2.391 18.355 -4.376 188 HB2 GLN 23 2HB GLN 23 3.869 16.123 -2.996 189 HB3 GLN 23 1HB GLN 23 2.562 17.053 -2.255 190 HG2 GLN 23 2HG GLN 23 1.074 16.151 -4.107 191 HG3 GLN 23 1HG GLN 23 2.437 15.114 -4.541 192 HE21 GLN 23 1HE2 GLN 23 1.620 15.913 -1.201 193 HE22 GLN 23 2HE2 GLN 23 1.140 14.316 -0.785 194 H GLY 24 H GLY 24 3.115 20.234 -3.831 195 HA2 GLY 24 2HA GLY 24 4.376 21.874 -2.819 196 HA3 GLY 24 1HA GLY 24 5.252 20.598 -1.969 197 H GLU 25 H GLU 25 7.251 20.165 -2.599 198 HA GLU 25 HA GLU 25 8.041 20.980 -5.310 199 HB2 GLU 25 2HB GLU 25 9.690 21.006 -2.798 200 HB3 GLU 25 1HB GLU 25 10.357 21.188 -4.405 201 HG2 GLU 25 2HG GLU 25 9.103 23.215 -4.731 202 HG3 GLU 25 1HG GLU 25 8.349 23.020 -3.148 203 H ASN 26 H ASN 26 7.094 18.415 -3.972 204 HA ASN 26 HA ASN 26 9.452 16.750 -4.612 205 HB2 ASN 26 2HB ASN 26 7.054 15.718 -3.142 206 HB3 ASN 26 1HB ASN 26 8.707 15.120 -3.121 207 HD21 ASN 26 1HD2 ASN 26 6.468 17.304 -1.946 208 HD22 ASN 26 2HD2 ASN 26 7.350 17.991 -0.656 209 H LEU 27 H LEU 27 8.746 14.635 -5.361 210 HA LEU 27 HA LEU 27 6.385 14.793 -7.055 211 HB2 LEU 27 2HB LEU 27 8.725 14.904 -8.183 212 HB3 LEU 27 1HB LEU 27 8.929 13.256 -7.651 213 HG LEU 27 HG LEU 27 8.327 13.420 -10.021 214 HD11 LEU 27 1HD1 LEU 27 6.522 11.789 -10.059 215 HD12 LEU 27 2HD1 LEU 27 6.148 12.147 -8.373 216 HD13 LEU 27 3HD1 LEU 27 7.691 11.406 -8.796 217 HD21 LEU 27 3HD2 LEU 27 7.005 15.472 -9.787 218 HD22 LEU 27 1HD2 LEU 27 5.704 14.547 -9.063 219 HD23 LEU 27 2HD2 LEU 27 6.185 14.254 -10.740 220 H ILE 28 H ILE 28 4.982 13.437 -6.081 221 HA ILE 28 HA ILE 28 6.145 11.127 -4.700 222 HB ILE 28 HB ILE 28 3.553 12.259 -3.697 223 HG12 ILE 28 2HG1 ILE 28 6.256 13.605 -3.256 224 HG13 ILE 28 1HG1 ILE 28 4.751 14.286 -3.800 225 HG21 ILE 28 1HG2 ILE 28 5.951 11.036 -2.358 226 HG22 ILE 28 2HG2 ILE 28 4.436 10.207 -2.756 227 HG23 ILE 28 3HG2 ILE 28 4.457 11.511 -1.558 228 HD11 ILE 28 3HD1 ILE 28 5.200 13.254 -1.018 229 HD12 ILE 28 1HD1 ILE 28 3.754 14.055 -1.641 230 HD13 ILE 28 2HD1 ILE 28 5.275 14.947 -1.517 231 H LEU 29 H LEU 29 4.591 9.382 -4.480 232 HA LEU 29 HA LEU 29 3.009 9.038 -6.867 233 HB2 LEU 29 2HB LEU 29 3.908 7.255 -4.621 234 HB3 LEU 29 1HB LEU 29 2.688 6.715 -5.742 235 HG LEU 29 HG LEU 29 4.316 6.922 -7.594 236 HD11 LEU 29 1HD1 LEU 29 5.786 8.659 -6.720 237 HD12 LEU 29 2HD1 LEU 29 6.702 7.214 -7.153 238 HD13 LEU 29 3HD1 LEU 29 6.347 7.558 -5.459 239 HD21 LEU 29 3HD2 LEU 29 5.155 5.223 -5.264 240 HD22 LEU 29 1HD2 LEU 29 5.752 5.038 -6.913 241 HD23 LEU 29 2HD2 LEU 29 4.040 4.794 -6.564 242 H GLY 30 H GLY 30 2.513 10.521 -4.110 243 HA2 GLY 30 2HA GLY 30 0.507 11.497 -3.489 244 HA3 GLY 30 1HA GLY 30 -0.307 10.261 -4.434 245 H PHE 31 H PHE 31 0.721 7.961 -3.197 246 HA PHE 31 HA PHE 31 -0.897 8.110 -0.811 247 HB2 PHE 31 2HB PHE 31 -1.135 5.730 -0.969 248 HB3 PHE 31 1HB PHE 31 -1.319 6.436 -2.533 249 HD1 PHE 31 2HD PHE 31 0.162 6.102 -4.313 250 HD2 PHE 31 1HD PHE 31 0.932 4.388 -0.530 251 HE1 PHE 31 2HE PHE 31 1.877 4.677 -5.326 252 HE2 PHE 31 1HE PHE 31 2.651 2.944 -1.509 253 HZ PHE 31 HZ PHE 31 3.144 3.087 -3.920 254 H SER 32 H SER 32 -0.286 6.748 1.073 255 HA SER 32 HA SER 32 2.554 6.995 1.869 256 HB2 SER 32 2HB SER 32 0.081 7.085 3.561 257 HB3 SER 32 1HB SER 32 1.715 7.357 4.102 258 HG SER 32 HG SER 32 0.740 8.954 2.023 259 H ILE 33 H ILE 33 2.998 5.340 3.750 260 HA ILE 33 HA ILE 33 1.531 2.846 3.256 261 HB ILE 33 HB ILE 33 3.486 1.562 3.146 262 HG12 ILE 33 2HG1 ILE 33 5.120 4.034 3.890 263 HG13 ILE 33 1HG1 ILE 33 4.768 2.655 4.937 264 HG21 ILE 33 1HG2 ILE 33 3.011 2.649 1.075 265 HG22 ILE 33 2HG2 ILE 33 4.777 2.678 1.305 266 HG23 ILE 33 3HG2 ILE 33 3.836 4.106 1.615 267 HD11 ILE 33 3HD1 ILE 33 6.989 2.404 4.152 268 HD12 ILE 33 1HD1 ILE 33 6.483 2.607 2.463 269 HD13 ILE 33 2HD1 ILE 33 5.949 1.210 3.379 270 H GLY 34 H GLY 34 1.974 1.226 4.927 271 HA2 GLY 34 2HA GLY 34 2.143 2.559 7.538 272 HA3 GLY 34 1HA GLY 34 1.245 1.073 7.220 273 H GLY 35 H GLY 35 3.452 0.076 5.551 274 HA2 GLY 35 2HA GLY 35 5.861 -0.369 6.144 275 HA3 GLY 35 1HA GLY 35 5.296 -0.567 7.746 276 H GLY 36 H GLY 36 6.789 -2.391 6.214 277 HA2 GLY 36 2HA GLY 36 4.912 -4.571 5.771 278 HA3 GLY 36 1HA GLY 36 6.560 -4.487 5.166 279 H ILE 37 H ILE 37 8.004 -5.707 6.179 280 HA ILE 37 HA ILE 37 7.091 -7.323 8.242 281 HB ILE 37 HB ILE 37 9.178 -8.499 8.313 282 HG12 ILE 37 2HG1 ILE 37 10.662 -6.489 8.290 283 HG13 ILE 37 1HG1 ILE 37 11.230 -7.746 7.168 284 HG21 ILE 37 1HG2 ILE 37 8.479 -7.666 5.516 285 HG22 ILE 37 2HG2 ILE 37 7.723 -8.955 6.445 286 HG23 ILE 37 3HG2 ILE 37 9.412 -9.108 5.934 287 HD11 ILE 37 3HD1 ILE 37 9.785 -5.193 6.635 288 HD12 ILE 37 1HD1 ILE 37 10.150 -6.384 5.392 289 HD13 ILE 37 2HD1 ILE 37 11.465 -5.565 6.245 290 H ASP 38 H ASP 38 8.822 -4.505 8.300 291 HA ASP 38 HA ASP 38 10.095 -4.524 10.853 292 HB2 ASP 38 2HB ASP 38 10.760 -2.947 9.143 293 HB3 ASP 38 1HB ASP 38 9.152 -2.264 9.072 294 H GLN 39 H GLN 39 6.873 -4.261 9.917 295 HA GLN 39 HA GLN 39 6.031 -2.827 12.343 296 HB2 GLN 39 2HB GLN 39 4.098 -3.659 10.192 297 HB3 GLN 39 1HB GLN 39 4.063 -2.223 11.189 298 HG2 GLN 39 2HG GLN 39 5.880 -2.753 8.949 299 HG3 GLN 39 1HG GLN 39 4.509 -1.653 8.996 300 HE21 GLN 39 1HE2 GLN 39 7.377 -1.424 8.554 301 HE22 GLN 39 2HE2 GLN 39 7.982 -0.212 9.608 302 H ASP 40 H ASP 40 3.974 -3.679 13.400 303 HA ASP 40 HA ASP 40 4.147 -6.618 13.644 304 HB2 ASP 40 2HB ASP 40 4.728 -4.863 15.691 305 HB3 ASP 40 1HB ASP 40 3.028 -4.961 15.744 306 HA PRO 41 HA PRO 41 -0.150 -6.229 12.179 307 HB2 PRO 41 2HB PRO 41 -0.840 -8.812 12.976 308 HB3 PRO 41 1HB PRO 41 -0.198 -8.349 11.395 309 HG2 PRO 41 2HG PRO 41 1.223 -9.448 13.772 310 HG3 PRO 41 1HG PRO 41 1.476 -9.791 12.050 311 HD2 PRO 41 2HD PRO 41 3.159 -8.229 13.338 312 HD3 PRO 41 1HD PRO 41 2.666 -7.797 11.720 313 H SER 42 H SER 42 0.805 -7.219 15.383 314 HA SER 42 HA SER 42 -1.758 -7.305 16.570 315 HB2 SER 42 2HB SER 42 0.259 -8.340 17.581 316 HB3 SER 42 1HB SER 42 0.941 -6.732 17.817 317 HG SER 42 HG SER 42 -0.958 -8.085 19.252 318 H GLN 43 H GLN 43 0.374 -4.697 15.690 319 HA GLN 43 HA GLN 43 -1.350 -2.831 17.169 320 HB2 GLN 43 2HB GLN 43 0.617 -1.374 17.435 321 HB3 GLN 43 1HB GLN 43 0.868 -2.941 18.179 322 HG2 GLN 43 2HG GLN 43 1.918 -3.245 15.686 323 HG3 GLN 43 1HG GLN 43 2.201 -1.536 15.990 324 HE21 GLN 43 1HE2 GLN 43 2.120 -4.169 18.317 325 HE22 GLN 43 2HE2 GLN 43 3.736 -4.050 18.816 326 H ASN 44 H ASN 44 -0.817 -3.909 14.260 327 HA ASN 44 HA ASN 44 -0.562 -1.376 12.860 328 HB2 ASN 44 2HB ASN 44 -0.467 -4.196 12.098 329 HB3 ASN 44 1HB ASN 44 -0.774 -3.021 10.828 330 HD21 ASN 44 1HD2 ASN 44 1.028 -1.039 12.350 331 HD22 ASN 44 2HD2 ASN 44 2.595 -1.611 12.016 332 HA PRO 45 HA PRO 45 -4.761 -0.612 12.010 333 HB2 PRO 45 2HB PRO 45 -4.542 0.691 9.648 334 HB3 PRO 45 1HB PRO 45 -4.035 1.401 11.188 335 HG2 PRO 45 2HG PRO 45 -2.360 0.018 9.107 336 HG3 PRO 45 1HG PRO 45 -2.054 1.572 9.923 337 HD2 PRO 45 2HD PRO 45 -0.868 -0.689 10.685 338 HD3 PRO 45 1HD PRO 45 -1.397 0.529 11.867 339 H PHE 46 H PHE 46 -3.028 -1.744 9.093 340 HA PHE 46 HA PHE 46 -5.528 -3.069 8.318 341 HB2 PHE 46 2HB PHE 46 -3.220 -2.274 6.529 342 HB3 PHE 46 1HB PHE 46 -4.755 -2.948 5.989 343 HD1 PHE 46 2HD PHE 46 -6.850 -1.634 6.292 344 HD2 PHE 46 1HD PHE 46 -2.997 0.023 7.014 345 HE1 PHE 46 2HE PHE 46 -7.801 0.645 6.211 346 HE2 PHE 46 1HE PHE 46 -3.959 2.285 6.938 347 HZ PHE 46 HZ PHE 46 -6.334 2.591 6.539 348 H SER 47 H SER 47 -2.766 -3.752 9.663 349 HA SER 47 HA SER 47 -2.418 -6.347 8.333 350 HB2 SER 47 2HB SER 47 -0.451 -4.704 9.034 351 HB3 SER 47 1HB SER 47 -0.752 -5.354 10.590 352 HG SER 47 HG SER 47 -0.615 -7.405 8.858 353 H GLU 48 H GLU 48 -4.232 -5.052 10.703 354 HA GLU 48 HA GLU 48 -4.015 -7.168 12.595 355 HB2 GLU 48 2HB GLU 48 -6.083 -6.262 13.614 356 HB3 GLU 48 1HB GLU 48 -4.874 -5.015 13.351 357 HG2 GLU 48 2HG GLU 48 -6.054 -4.113 11.518 358 HG3 GLU 48 1HG GLU 48 -7.115 -5.519 11.425 359 H ASP 49 H ASP 49 -5.597 -6.579 9.656 360 HA ASP 49 HA ASP 49 -7.712 -8.525 9.935 361 HB2 ASP 49 2HB ASP 49 -7.965 -6.484 8.526 362 HB3 ASP 49 1HB ASP 49 -6.718 -7.106 7.452 363 H LYS 50 H LYS 50 -4.912 -8.201 7.798 364 HA LYS 50 HA LYS 50 -4.647 -11.134 7.772 365 HB2 LYS 50 2HB LYS 50 -3.509 -9.086 5.887 366 HB3 LYS 50 1HB LYS 50 -3.288 -10.801 5.755 367 HG2 LYS 50 2HG LYS 50 -6.026 -9.539 5.504 368 HG3 LYS 50 1HG LYS 50 -4.951 -9.744 4.129 369 HD2 LYS 50 2HD LYS 50 -6.320 -11.624 3.991 370 HD3 LYS 50 1HD LYS 50 -4.908 -12.245 4.824 371 HE2 LYS 50 2HE LYS 50 -6.826 -13.138 5.907 372 HE3 LYS 50 1HE LYS 50 -6.179 -11.920 6.989 373 HZ1 LYS 50 3HZ LYS 50 -8.486 -11.570 5.159 374 HZ2 LYS 50 1HZ LYS 50 -7.909 -10.370 6.185 375 HZ3 LYS 50 2HZ LYS 50 -8.580 -11.771 6.819 376 H THR 51 H THR 51 -2.942 -11.899 8.737 377 HA THR 51 HA THR 51 -1.275 -9.966 10.131 378 HB THR 51 HB THR 51 -0.527 -11.992 11.480 379 HG1 THR 51 1HG THR 51 -2.805 -13.213 10.300 380 HG21 THR 51 3HG2 THR 51 -2.221 -10.419 12.299 381 HG22 THR 51 1HG2 THR 51 -2.621 -12.067 12.779 382 HG23 THR 51 2HG2 THR 51 -3.475 -11.307 11.436 383 H ASP 52 H ASP 52 -1.048 -11.319 7.326 384 HA ASP 52 HA ASP 52 1.749 -12.089 7.333 385 HB2 ASP 52 2HB ASP 52 0.216 -13.218 5.776 386 HB3 ASP 52 1HB ASP 52 -0.232 -11.672 5.076 387 H LYS 53 H LYS 53 3.296 -10.649 7.221 388 HA LYS 53 HA LYS 53 2.641 -7.881 7.177 389 HB2 LYS 53 2HB LYS 53 5.404 -9.096 7.055 390 HB3 LYS 53 1HB LYS 53 4.989 -7.458 7.527 391 HG2 LYS 53 2HG LYS 53 3.812 -8.417 9.542 392 HG3 LYS 53 1HG LYS 53 4.436 -10.005 9.061 393 HD2 LYS 53 2HD LYS 53 6.726 -9.041 9.093 394 HD3 LYS 53 1HD LYS 53 6.010 -7.554 9.777 395 HE2 LYS 53 2HE LYS 53 6.195 -10.287 11.016 396 HE3 LYS 53 1HE LYS 53 7.150 -8.814 11.321 397 HZ1 LYS 53 3HZ LYS 53 5.193 -7.721 12.090 398 HZ2 LYS 53 1HZ LYS 53 5.484 -9.126 12.984 399 HZ3 LYS 53 2HZ LYS 53 4.277 -9.160 11.818 400 H GLY 54 H GLY 54 3.971 -6.355 5.811 401 HA2 GLY 54 2HA GLY 54 5.104 -6.554 3.436 402 HA3 GLY 54 1HA GLY 54 3.428 -6.980 3.043 403 H ILE 55 H ILE 55 4.757 -4.600 2.159 404 HA ILE 55 HA ILE 55 3.952 -2.433 3.806 405 HB ILE 55 HB ILE 55 4.904 -2.497 0.922 406 HG12 ILE 55 2HG1 ILE 55 6.499 -3.279 2.737 407 HG13 ILE 55 1HG1 ILE 55 7.079 -1.954 1.734 408 HG21 ILE 55 1HG2 ILE 55 3.601 -0.493 1.315 409 HG22 ILE 55 2HG2 ILE 55 5.312 -0.068 1.208 410 HG23 ILE 55 3HG2 ILE 55 4.510 -0.167 2.779 411 HD11 ILE 55 3HD1 ILE 55 6.753 -0.425 3.387 412 HD12 ILE 55 1HD1 ILE 55 7.500 -1.795 4.191 413 HD13 ILE 55 2HD1 ILE 55 5.741 -1.490 4.346 414 H TYR 56 H TYR 56 2.075 -1.443 3.834 415 HA TYR 56 HA TYR 56 0.276 -1.765 1.592 416 HB2 TYR 56 2HB TYR 56 -1.554 -1.663 3.471 417 HB3 TYR 56 1HB TYR 56 -0.799 -3.197 3.065 418 HD1 TYR 56 1HD TYR 56 -0.681 -0.397 5.501 419 HD2 TYR 56 2HD TYR 56 0.411 -4.371 4.572 420 HE1 TYR 56 1HE TYR 56 0.087 -0.721 7.810 421 HE2 TYR 56 2HE TYR 56 1.214 -4.726 6.784 422 HH TYR 56 HH TYR 56 1.869 -3.471 8.758 423 H VAL 57 H VAL 57 -1.195 -0.158 1.364 424 HA VAL 57 HA VAL 57 -0.132 2.450 1.873 425 HB VAL 57 HB VAL 57 -2.698 1.547 0.548 426 HG11 VAL 57 1HG1 VAL 57 -2.798 3.780 -0.419 427 HG12 VAL 57 2HG1 VAL 57 -1.388 4.254 0.534 428 HG13 VAL 57 3HG1 VAL 57 -2.898 3.842 1.342 429 HG21 VAL 57 3HG2 VAL 57 -1.425 2.251 -1.500 430 HG22 VAL 57 1HG2 VAL 57 -0.879 0.767 -0.694 431 HG23 VAL 57 2HG2 VAL 57 -0.001 2.281 -0.469 432 H THR 58 H THR 58 -0.793 3.909 3.404 433 HA THR 58 HA THR 58 -3.024 3.091 5.097 434 HB THR 58 HB THR 58 -1.899 4.797 6.639 435 HG1 THR 58 1HG THR 58 0.301 5.079 6.196 436 HG21 THR 58 3HG2 THR 58 -1.891 2.353 7.014 437 HG22 THR 58 1HG2 THR 58 -0.339 3.063 7.462 438 HG23 THR 58 2HG2 THR 58 -0.508 2.197 5.938 439 H ARG 59 H ARG 59 -1.891 5.427 2.895 440 HA ARG 59 HA ARG 59 -4.346 6.969 3.105 441 HB2 ARG 59 2HB ARG 59 -1.579 7.985 3.465 442 HB3 ARG 59 1HB ARG 59 -2.855 9.037 2.879 443 HG2 ARG 59 2HG ARG 59 -3.999 8.573 5.096 444 HG3 ARG 59 1HG ARG 59 -2.575 7.645 5.564 445 HD2 ARG 59 2HD ARG 59 -2.699 10.590 4.925 446 HD3 ARG 59 1HD ARG 59 -2.397 9.854 6.496 447 HE ARG 59 HE ARG 59 -0.528 9.449 4.251 448 HH11 ARG 59 1HH1 ARG 59 -1.054 10.488 7.609 449 HH12 ARG 59 2HH1 ARG 59 0.584 10.882 7.850 450 HH21 ARG 59 1HH2 ARG 59 1.644 9.938 4.608 451 HH22 ARG 59 2HH2 ARG 59 2.185 10.559 6.101 452 H VAL 60 H VAL 60 -4.914 7.531 0.787 453 HA VAL 60 HA VAL 60 -2.734 7.224 -0.915 454 HB VAL 60 HB VAL 60 -4.469 7.354 -2.507 455 HG11 VAL 60 1HG1 VAL 60 -3.585 5.196 -1.898 456 HG12 VAL 60 2HG1 VAL 60 -5.308 5.033 -2.225 457 HG13 VAL 60 3HG1 VAL 60 -4.725 5.077 -0.549 458 HG21 VAL 60 3HG2 VAL 60 -6.386 7.046 -0.251 459 HG22 VAL 60 1HG2 VAL 60 -6.786 6.854 -1.970 460 HG23 VAL 60 2HG2 VAL 60 -6.211 8.417 -1.376 461 H SER 61 H SER 61 -3.495 8.811 -2.847 462 HA SER 61 HA SER 61 -3.334 11.476 -1.773 463 HB2 SER 61 2HB SER 61 -2.041 10.472 -3.735 464 HB3 SER 61 1HB SER 61 -3.581 10.517 -4.598 465 HG SER 61 HG SER 61 -2.725 12.879 -3.376 466 H GLU 62 H GLU 62 -5.243 12.495 -1.375 467 HA GLU 62 HA GLU 62 -7.730 11.248 -1.694 468 HB2 GLU 62 2HB GLU 62 -8.664 13.347 -0.819 469 HB3 GLU 62 1HB GLU 62 -7.303 12.711 0.105 470 HG2 GLU 62 2HG GLU 62 -5.847 14.348 -1.129 471 HG3 GLU 62 1HG GLU 62 -7.324 15.057 -1.763 472 H GLY 63 H GLY 63 -6.064 13.100 -3.896 473 HA2 GLY 63 2HA GLY 63 -8.229 12.855 -5.792 474 HA3 GLY 63 1HA GLY 63 -7.703 14.508 -5.442 475 H GLY 64 H GLY 64 -5.710 11.672 -5.409 476 HA2 GLY 64 2HA GLY 64 -4.091 12.919 -7.536 477 HA3 GLY 64 1HA GLY 64 -3.442 12.107 -6.111 478 HA PRO 65 HA PRO 65 -3.414 9.427 -9.907 479 HB2 PRO 65 2HB PRO 65 -0.955 8.362 -9.452 480 HB3 PRO 65 1HB PRO 65 -1.176 9.879 -10.311 481 HG2 PRO 65 2HG PRO 65 -0.450 9.413 -7.458 482 HG3 PRO 65 1HG PRO 65 0.187 10.608 -8.599 483 HD2 PRO 65 2HD PRO 65 -1.640 11.185 -6.710 484 HD3 PRO 65 1HD PRO 65 -1.615 12.040 -8.282 485 H ALA 66 H ALA 66 -2.550 8.753 -6.644 486 HA ALA 66 HA ALA 66 -2.542 5.987 -6.662 487 HB1 ALA 66 1HB ALA 66 -1.757 7.318 -4.753 488 HB2 ALA 66 2HB ALA 66 -2.931 6.097 -4.255 489 HB3 ALA 66 3HB ALA 66 -3.420 7.785 -4.408 490 H GLU 67 H GLU 67 -5.273 8.018 -5.543 491 HA GLU 67 HA GLU 67 -6.906 5.720 -5.761 492 HB2 GLU 67 2HB GLU 67 -8.849 7.136 -5.263 493 HB3 GLU 67 1HB GLU 67 -7.557 7.258 -4.090 494 HG2 GLU 67 2HG GLU 67 -7.036 9.408 -4.708 495 HG3 GLU 67 1HG GLU 67 -7.843 9.340 -6.256 496 H ILE 68 H ILE 68 -6.275 8.414 -7.907 497 HA ILE 68 HA ILE 68 -8.336 8.091 -9.736 498 HB ILE 68 HB ILE 68 -5.497 9.042 -10.042 499 HG12 ILE 68 2HG1 ILE 68 -6.993 10.528 -8.826 500 HG13 ILE 68 1HG1 ILE 68 -6.526 11.249 -10.361 501 HG21 ILE 68 1HG2 ILE 68 -6.001 8.112 -12.201 502 HG22 ILE 68 2HG2 ILE 68 -5.968 9.870 -12.299 503 HG23 ILE 68 3HG2 ILE 68 -7.516 9.016 -12.278 504 HD11 ILE 68 3HD1 ILE 68 -9.174 9.944 -9.732 505 HD12 ILE 68 1HD1 ILE 68 -8.692 10.596 -11.301 506 HD13 ILE 68 2HD1 ILE 68 -8.851 11.664 -9.912 507 H ALA 69 H ALA 69 -5.297 6.325 -9.470 508 HA ALA 69 HA ALA 69 -5.844 4.792 -11.839 509 HB1 ALA 69 1HB ALA 69 -3.877 3.498 -11.235 510 HB2 ALA 69 2HB ALA 69 -3.832 4.293 -9.661 511 HB3 ALA 69 3HB ALA 69 -3.552 5.227 -11.129 512 H GLY 70 H GLY 70 -5.935 4.182 -8.384 513 HA2 GLY 70 2HA GLY 70 -8.104 2.784 -7.966 514 HA3 GLY 70 1HA GLY 70 -7.223 1.590 -8.906 515 H LEU 71 H LEU 71 -5.299 3.582 -6.848 516 HA LEU 71 HA LEU 71 -4.859 1.323 -5.103 517 HB2 LEU 71 2HB LEU 71 -2.912 2.553 -6.080 518 HB3 LEU 71 1HB LEU 71 -3.475 4.007 -5.312 519 HG LEU 71 HG LEU 71 -2.599 3.410 -3.232 520 HD11 LEU 71 1HD1 LEU 71 -2.081 0.947 -2.717 521 HD12 LEU 71 2HD1 LEU 71 -2.684 0.529 -4.316 522 HD13 LEU 71 3HD1 LEU 71 -3.784 1.170 -3.103 523 HD21 LEU 71 3HD2 LEU 71 -0.431 2.463 -3.637 524 HD22 LEU 71 1HD2 LEU 71 -0.865 3.627 -4.886 525 HD23 LEU 71 2HD2 LEU 71 -0.954 1.894 -5.223 526 H GLN 72 H GLN 72 -5.768 1.109 -3.198 527 HA GLN 72 HA GLN 72 -7.094 3.466 -2.112 528 HB2 GLN 72 2HB GLN 72 -7.791 0.553 -1.845 529 HB3 GLN 72 1HB GLN 72 -8.622 1.887 -1.061 530 HG2 GLN 72 2HG GLN 72 -8.440 1.478 -4.029 531 HG3 GLN 72 1HG GLN 72 -9.823 1.049 -3.020 532 HE21 GLN 72 1HE2 GLN 72 -7.918 3.621 -4.261 533 HE22 GLN 72 2HE2 GLN 72 -9.071 4.877 -4.071 534 H ILE 73 H ILE 73 -7.147 3.613 0.040 535 HA ILE 73 HA ILE 73 -4.898 2.970 1.613 536 HB ILE 73 HB ILE 73 -7.716 3.636 2.506 537 HG12 ILE 73 2HG1 ILE 73 -5.275 5.359 2.134 538 HG13 ILE 73 1HG1 ILE 73 -6.744 5.409 1.165 539 HG21 ILE 73 1HG2 ILE 73 -5.188 3.675 4.108 540 HG22 ILE 73 2HG2 ILE 73 -6.524 2.537 4.277 541 HG23 ILE 73 3HG2 ILE 73 -6.766 4.244 4.650 542 HD11 ILE 73 3HD1 ILE 73 -6.633 7.267 2.740 543 HD12 ILE 73 1HD1 ILE 73 -6.493 6.116 4.069 544 HD13 ILE 73 2HD1 ILE 73 -7.990 6.197 3.130 545 H GLY 74 H GLY 74 -4.345 1.085 2.641 546 HA2 GLY 74 2HA GLY 74 -4.854 -0.781 3.967 547 HA3 GLY 74 1HA GLY 74 -6.477 -0.789 3.298 548 H ASP 75 H ASP 75 -4.353 -0.278 0.784 549 HA ASP 75 HA ASP 75 -4.695 -3.004 -0.020 550 HB2 ASP 75 2HB ASP 75 -3.709 -0.586 -1.489 551 HB3 ASP 75 1HB ASP 75 -3.541 -2.204 -2.160 552 H LYS 76 H LYS 76 -3.458 -4.512 0.134 553 HA LYS 76 HA LYS 76 -0.856 -4.162 1.325 554 HB2 LYS 76 2HB LYS 76 -2.427 -5.845 2.187 555 HB3 LYS 76 1HB LYS 76 -2.477 -6.618 0.621 556 HG2 LYS 76 2HG LYS 76 -0.271 -7.446 0.863 557 HG3 LYS 76 1HG LYS 76 0.025 -6.430 2.285 558 HD2 LYS 76 2HD LYS 76 -1.686 -7.648 3.524 559 HD3 LYS 76 1HD LYS 76 -2.044 -8.618 2.099 560 HE2 LYS 76 2HE LYS 76 0.686 -8.572 3.349 561 HE3 LYS 76 1HE LYS 76 -0.578 -9.652 3.919 562 HZ1 LYS 76 3HZ LYS 76 0.814 -10.769 2.385 563 HZ2 LYS 76 1HZ LYS 76 0.572 -9.645 1.141 564 HZ3 LYS 76 2HZ LYS 76 -0.695 -10.606 1.705 565 H ILE 77 H ILE 77 0.627 -3.508 -0.043 566 HA ILE 77 HA ILE 77 0.553 -4.108 -2.825 567 HB ILE 77 HB ILE 77 2.750 -2.777 -1.276 568 HG12 ILE 77 2HG1 ILE 77 0.484 -1.278 -2.536 569 HG13 ILE 77 1HG1 ILE 77 0.312 -1.894 -0.891 570 HG21 ILE 77 1HG2 ILE 77 3.169 -3.376 -3.615 571 HG22 ILE 77 2HG2 ILE 77 3.065 -1.621 -3.430 572 HG23 ILE 77 3HG2 ILE 77 1.708 -2.521 -4.113 573 HD11 ILE 77 3HD1 ILE 77 2.183 -0.726 -0.208 574 HD12 ILE 77 1HD1 ILE 77 1.062 0.399 -0.975 575 HD13 ILE 77 2HD1 ILE 77 2.520 -0.146 -1.859 576 H MET 78 H MET 78 1.707 -5.691 -3.774 577 HA MET 78 HA MET 78 3.558 -7.213 -2.090 578 HB2 MET 78 2HB MET 78 2.040 -8.196 -4.514 579 HB3 MET 78 1HB MET 78 2.972 -9.165 -3.391 580 HG2 MET 78 2HG MET 78 0.506 -7.671 -2.526 581 HG3 MET 78 1HG MET 78 0.408 -9.245 -3.283 582 HE1 MET 78 3HE MET 78 3.144 -8.127 -0.465 583 HE2 MET 78 1HE MET 78 2.189 -8.493 0.955 584 HE3 MET 78 2HE MET 78 1.672 -7.207 -0.146 585 H GLN 79 H GLN 79 3.181 -5.251 -4.833 586 HA GLN 79 HA GLN 79 5.875 -5.842 -5.688 587 HB2 GLN 79 2HB GLN 79 3.674 -7.042 -6.954 588 HB3 GLN 79 1HB GLN 79 4.130 -5.700 -7.995 589 HG2 GLN 79 2HG GLN 79 5.973 -7.921 -7.088 590 HG3 GLN 79 1HG GLN 79 5.221 -7.760 -8.673 591 HE21 GLN 79 1HE2 GLN 79 5.598 -4.936 -8.874 592 HE22 GLN 79 2HE2 GLN 79 7.286 -4.717 -9.061 593 H VAL 80 H VAL 80 6.821 -4.001 -6.470 594 HA VAL 80 HA VAL 80 5.185 -1.726 -7.334 595 HB VAL 80 HB VAL 80 7.325 -1.684 -5.180 596 HG11 VAL 80 1HG1 VAL 80 7.899 0.109 -6.714 597 HG12 VAL 80 2HG1 VAL 80 7.218 0.798 -5.240 598 HG13 VAL 80 3HG1 VAL 80 6.244 0.704 -6.703 599 HG21 VAL 80 3HG2 VAL 80 5.532 -0.361 -3.973 600 HG22 VAL 80 1HG2 VAL 80 5.122 -2.043 -4.334 601 HG23 VAL 80 2HG2 VAL 80 4.463 -0.774 -5.316 602 H ASN 81 H ASN 81 5.866 -1.253 -9.307 603 HA ASN 81 HA ASN 81 7.047 -0.993 -11.091 604 HB2 ASN 81 2HB ASN 81 7.856 0.873 -9.584 605 HB3 ASN 81 1HB ASN 81 9.326 -0.074 -9.348 606 HD21 ASN 81 1HD2 ASN 81 7.284 1.325 -11.733 607 HD22 ASN 81 2HD2 ASN 81 8.439 1.627 -12.955 608 H GLY 82 H GLY 82 7.032 -3.483 -10.411 609 HA2 GLY 82 2HA GLY 82 7.925 -5.513 -10.797 610 HA3 GLY 82 1HA GLY 82 9.093 -4.673 -11.837 611 H TRP 83 H TRP 83 9.179 -3.726 -8.597 612 HA TRP 83 HA TRP 83 11.661 -5.161 -8.310 613 HB2 TRP 83 2HB TRP 83 12.552 -3.280 -7.273 614 HB3 TRP 83 1HB TRP 83 11.071 -2.529 -7.818 615 HD1 TRP 83 HD TRP 83 9.165 -2.048 -5.910 616 HE1 TRP 83 1HE TRP 83 9.498 -1.559 -3.352 617 HE3 TRP 83 3HE TRP 83 13.932 -3.788 -5.264 618 HZ2 TRP 83 2HZ TRP 83 11.405 -1.794 -1.474 619 HZ3 TRP 83 3HZ TRP 83 14.952 -3.607 -3.021 620 HH2 TRP 83 HH TRP 83 13.694 -2.628 -1.142 621 H ASP 84 H ASP 84 9.526 -4.466 -5.476 622 HA ASP 84 HA ASP 84 8.359 -6.925 -5.070 623 HB2 ASP 84 2HB ASP 84 10.826 -7.690 -4.764 624 HB3 ASP 84 1HB ASP 84 10.823 -6.602 -3.369 625 H MET 85 H MET 85 6.838 -6.314 -3.588 626 HA MET 85 HA MET 85 7.757 -4.365 -1.580 627 HB2 MET 85 2HB MET 85 6.400 -3.299 -3.363 628 HB3 MET 85 1HB MET 85 5.054 -4.332 -2.926 629 HG2 MET 85 2HG MET 85 4.791 -2.104 -2.010 630 HG3 MET 85 1HG MET 85 4.946 -3.335 -0.758 631 HE1 MET 85 3HE MET 85 7.814 -1.722 -2.935 632 HE2 MET 85 1HE MET 85 8.452 -0.491 -1.840 633 HE3 MET 85 2HE MET 85 6.867 -0.281 -2.554 634 H THR 86 H THR 86 6.814 -7.303 -2.077 635 HA THR 86 HA THR 86 4.942 -7.637 0.065 636 HB THR 86 HB THR 86 4.577 -9.060 -1.823 637 HG1 THR 86 1HG THR 86 5.722 -10.847 0.035 638 HG21 THR 86 3HG2 THR 86 7.389 -10.059 -1.466 639 HG22 THR 86 1HG2 THR 86 6.794 -9.074 -2.795 640 HG23 THR 86 2HG2 THR 86 6.220 -10.733 -2.607 641 H MET 87 H MET 87 8.409 -7.930 -0.316 642 HA MET 87 HA MET 87 8.491 -8.540 2.546 643 HB2 MET 87 2HB MET 87 8.972 -10.616 1.270 644 HB3 MET 87 1HB MET 87 10.299 -9.791 0.472 645 HG2 MET 87 2HG MET 87 11.440 -9.545 2.612 646 HG3 MET 87 1HG MET 87 10.110 -10.368 3.422 647 HE1 MET 87 3HE MET 87 13.127 -10.686 0.944 648 HE2 MET 87 1HE MET 87 11.791 -11.193 -0.094 649 HE3 MET 87 2HE MET 87 13.010 -12.362 0.406 650 H VAL 88 H VAL 88 8.718 -6.181 2.651 651 HA VAL 88 HA VAL 88 11.490 -5.415 2.489 652 HB VAL 88 HB VAL 88 10.611 -4.897 0.255 653 HG11 VAL 88 1HG1 VAL 88 8.878 -3.173 -0.030 654 HG12 VAL 88 2HG1 VAL 88 8.606 -3.218 1.711 655 HG13 VAL 88 3HG1 VAL 88 8.279 -4.639 0.740 656 HG21 VAL 88 3HG2 VAL 88 11.141 -2.495 1.982 657 HG22 VAL 88 1HG2 VAL 88 11.134 -2.477 0.221 658 HG23 VAL 88 2HG2 VAL 88 12.323 -3.452 1.090 659 H THR 89 H THR 89 11.954 -3.641 3.768 660 HA THR 89 HA THR 89 10.298 -3.236 6.023 661 HB THR 89 HB THR 89 12.093 -1.374 6.370 662 HG1 THR 89 1HG THR 89 13.675 -2.962 4.761 663 HG21 THR 89 3HG2 THR 89 12.960 -4.275 6.397 664 HG22 THR 89 1HG2 THR 89 11.917 -3.524 7.613 665 HG23 THR 89 2HG2 THR 89 13.572 -2.960 7.401 666 H HIS 90 H HIS 90 9.537 -1.259 6.733 667 HA HIS 90 HA HIS 90 8.069 0.340 4.973 668 HB2 HIS 90 2HB HIS 90 7.674 0.152 7.396 669 HB3 HIS 90 1HB HIS 90 9.156 1.007 7.732 670 HD1 HIS 90 1HD HIS 90 5.603 1.548 7.544 671 HD2 HIS 90 2HD HIS 90 8.954 3.796 6.542 672 HE1 HIS 90 1HE HIS 90 4.793 3.828 7.248 673 H ASP 91 H ASP 91 11.245 0.723 6.390 674 HA ASP 91 HA ASP 91 11.917 3.298 5.593 675 HB2 ASP 91 2HB ASP 91 13.105 1.952 7.257 676 HB3 ASP 91 1HB ASP 91 13.671 0.906 5.977 677 H GLN 92 H GLN 92 12.649 0.215 4.071 678 HA GLN 92 HA GLN 92 14.012 1.386 1.861 679 HB2 GLN 92 2HB GLN 92 13.340 -1.320 2.733 680 HB3 GLN 92 1HB GLN 92 13.323 -1.155 0.993 681 HG2 GLN 92 2HG GLN 92 15.492 -1.919 1.751 682 HG3 GLN 92 1HG GLN 92 15.631 -0.314 1.056 683 HE21 GLN 92 1HE2 GLN 92 14.478 -1.049 4.315 684 HE22 GLN 92 2HE2 GLN 92 15.785 -0.303 5.132 685 H ALA 93 H ALA 93 10.760 0.197 2.371 686 HA ALA 93 HA ALA 93 9.832 0.440 -0.258 687 HB1 ALA 93 1HB ALA 93 8.667 -0.744 1.529 688 HB2 ALA 93 2HB ALA 93 7.624 0.406 0.697 689 HB3 ALA 93 3HB ALA 93 8.271 0.794 2.287 690 H ARG 94 H ARG 94 9.869 2.715 2.426 691 HA ARG 94 HA ARG 94 8.465 4.796 1.261 692 HB2 ARG 94 2HB ARG 94 10.595 4.655 3.340 693 HB3 ARG 94 1HB ARG 94 10.035 6.256 2.847 694 HG2 ARG 94 2HG ARG 94 8.302 4.040 3.895 695 HG3 ARG 94 1HG ARG 94 9.025 5.288 4.904 696 HD2 ARG 94 2HD ARG 94 7.274 5.889 2.556 697 HD3 ARG 94 1HD ARG 94 6.611 5.662 4.181 698 HE ARG 94 HE ARG 94 8.720 7.574 4.144 699 HH11 ARG 94 1HH1 ARG 94 5.257 7.265 3.397 700 HH12 ARG 94 2HH1 ARG 94 4.921 8.906 3.619 701 HH21 ARG 94 1HH2 ARG 94 8.219 9.840 4.440 702 HH22 ARG 94 2HH2 ARG 94 6.636 10.419 4.207 703 H LYS 95 H LYS 95 11.793 3.852 0.882 704 HA LYS 95 HA LYS 95 12.442 6.242 -0.625 705 HB2 LYS 95 2HB LYS 95 13.954 4.953 1.083 706 HB3 LYS 95 1HB LYS 95 14.249 3.865 -0.262 707 HG2 LYS 95 2HG LYS 95 16.038 5.494 -0.103 708 HG3 LYS 95 1HG LYS 95 15.111 5.769 -1.582 709 HD2 LYS 95 2HD LYS 95 13.938 7.621 -0.575 710 HD3 LYS 95 1HD LYS 95 14.651 7.279 1.000 711 HE2 LYS 95 2HE LYS 95 15.755 9.169 -0.006 712 HE3 LYS 95 1HE LYS 95 16.871 7.810 0.051 713 HZ1 LYS 95 3HZ LYS 95 15.374 8.752 -2.342 714 HZ2 LYS 95 1HZ LYS 95 16.404 7.411 -2.316 715 HZ3 LYS 95 2HZ LYS 95 17.006 8.947 -2.045 716 H ARG 96 H ARG 96 10.488 4.197 -1.484 717 HA ARG 96 HA ARG 96 11.491 3.761 -4.186 718 HB2 ARG 96 2HB ARG 96 10.242 1.650 -2.440 719 HB3 ARG 96 1HB ARG 96 10.210 1.529 -4.189 720 HG2 ARG 96 2HG ARG 96 12.743 1.752 -2.572 721 HG3 ARG 96 1HG ARG 96 12.014 0.218 -3.052 722 HD2 ARG 96 2HD ARG 96 12.197 0.895 -5.410 723 HD3 ARG 96 1HD ARG 96 12.975 2.397 -4.912 724 HE ARG 96 HE ARG 96 14.620 0.757 -3.820 725 HH11 ARG 96 1HH1 ARG 96 13.070 0.319 -7.008 726 HH12 ARG 96 2HH1 ARG 96 14.333 -0.599 -7.666 727 HH21 ARG 96 1HH2 ARG 96 16.402 -0.476 -4.777 728 HH22 ARG 96 2HH2 ARG 96 16.289 -1.036 -6.379 729 H LEU 97 H LEU 97 8.661 3.651 -2.117 730 HA LEU 97 HA LEU 97 7.040 4.322 -4.440 731 HB2 LEU 97 2HB LEU 97 5.150 4.002 -2.766 732 HB3 LEU 97 1HB LEU 97 6.037 2.590 -3.340 733 HG LEU 97 HG LEU 97 7.385 2.785 -1.209 734 HD11 LEU 97 1HD1 LEU 97 6.831 5.059 -0.602 735 HD12 LEU 97 2HD1 LEU 97 6.403 3.929 0.675 736 HD13 LEU 97 3HD1 LEU 97 5.145 4.599 -0.368 737 HD21 LEU 97 3HD2 LEU 97 4.492 2.297 -0.867 738 HD22 LEU 97 1HD2 LEU 97 5.829 1.622 0.050 739 HD23 LEU 97 2HD2 LEU 97 5.613 1.159 -1.662 740 H THR 98 H THR 98 8.252 5.875 -1.654 741 HA THR 98 HA THR 98 6.669 8.134 -2.605 742 HB THR 98 HB THR 98 5.979 7.527 -0.293 743 HG1 THR 98 1HG THR 98 7.239 9.989 -0.726 744 HG21 THR 98 3HG2 THR 98 8.095 6.734 0.530 745 HG22 THR 98 1HG2 THR 98 7.451 7.992 1.586 746 HG23 THR 98 2HG2 THR 98 8.759 8.370 0.457 747 H LYS 99 H LYS 99 9.482 6.977 -3.092 748 HA LYS 99 HA LYS 99 11.207 9.208 -2.729 749 HB2 LYS 99 2HB LYS 99 12.622 8.157 -4.430 750 HB3 LYS 99 1HB LYS 99 12.016 6.936 -3.312 751 HG2 LYS 99 2HG LYS 99 10.706 5.952 -4.828 752 HG3 LYS 99 1HG LYS 99 10.437 7.432 -5.758 753 HD2 LYS 99 2HD LYS 99 11.792 5.960 -7.087 754 HD3 LYS 99 1HD LYS 99 12.781 7.299 -6.504 755 HE2 LYS 99 2HE LYS 99 13.705 5.866 -4.766 756 HE3 LYS 99 1HE LYS 99 12.678 4.554 -5.315 757 HZ1 LYS 99 3HZ LYS 99 13.763 4.641 -7.470 758 HZ2 LYS 99 1HZ LYS 99 14.867 4.267 -6.235 759 HZ3 LYS 99 2HZ LYS 99 14.844 5.809 -6.890 760 H ARG 100 H ARG 100 12.139 9.980 -5.188 761 HA ARG 100 HA ARG 100 9.756 11.112 -6.523 762 HB2 ARG 100 2HB ARG 100 10.931 13.303 -6.560 763 HB3 ARG 100 1HB ARG 100 10.489 12.765 -4.946 764 HG2 ARG 100 2HG ARG 100 12.722 12.007 -4.534 765 HG3 ARG 100 1HG ARG 100 13.215 12.428 -6.163 766 HD2 ARG 100 2HD ARG 100 12.235 14.306 -4.019 767 HD3 ARG 100 1HD ARG 100 13.914 14.112 -4.517 768 HE ARG 100 HE ARG 100 12.279 14.828 -6.718 769 HH11 ARG 100 1HH1 ARG 100 13.818 16.165 -3.845 770 HH12 ARG 100 2HH1 ARG 100 13.836 17.761 -4.437 771 HH21 ARG 100 1HH2 ARG 100 12.327 17.075 -7.516 772 HH22 ARG 100 2HH2 ARG 100 13.005 18.267 -6.522 773 H SER 101 H SER 101 12.274 9.264 -6.956 774 HA SER 101 HA SER 101 13.559 10.470 -9.198 775 HB2 SER 101 2HB SER 101 13.640 7.674 -8.163 776 HB3 SER 101 1HB SER 101 14.866 8.473 -9.158 777 HG SER 101 HG SER 101 15.228 9.899 -7.439 778 H GLU 102 H GLU 102 11.193 7.940 -8.653 779 HA GLU 102 HA GLU 102 10.963 7.426 -11.504 780 HB2 GLU 102 2HB GLU 102 9.736 6.111 -9.082 781 HB3 GLU 102 1HB GLU 102 9.067 5.847 -10.677 782 HG2 GLU 102 2HG GLU 102 10.498 4.020 -10.117 783 HG3 GLU 102 1HG GLU 102 11.243 4.941 -11.409 784 H GLU 103 H GLU 103 8.997 7.680 -12.618 785 HA GLU 103 HA GLU 103 7.363 9.770 -11.420 786 HB2 GLU 103 2HB GLU 103 6.578 10.209 -13.800 787 HB3 GLU 103 1HB GLU 103 8.249 10.676 -13.442 788 HG2 GLU 103 2HG GLU 103 8.869 8.526 -14.586 789 HG3 GLU 103 1HG GLU 103 7.189 8.331 -14.978 790 H VAL 104 H VAL 104 6.895 7.117 -13.701 791 HA VAL 104 HA VAL 104 4.450 6.572 -12.293 792 HB VAL 104 HB VAL 104 3.734 7.433 -14.347 793 HG11 VAL 104 1HG1 VAL 104 4.416 6.610 -16.481 794 HG12 VAL 104 2HG1 VAL 104 5.828 5.817 -15.707 795 HG13 VAL 104 3HG1 VAL 104 5.581 7.589 -15.612 796 HG21 VAL 104 3HG2 VAL 104 2.646 5.587 -15.490 797 HG22 VAL 104 1HG2 VAL 104 2.596 5.363 -13.741 798 HG23 VAL 104 2HG2 VAL 104 3.750 4.451 -14.714 799 H VAL 105 H VAL 105 4.023 4.625 -11.706 800 HA VAL 105 HA VAL 105 5.973 2.494 -12.256 801 HB VAL 105 HB VAL 105 5.878 1.950 -9.786 802 HG11 VAL 105 1HG1 VAL 105 7.451 3.710 -9.088 803 HG12 VAL 105 2HG1 VAL 105 6.972 4.689 -10.474 804 HG13 VAL 105 3HG1 VAL 105 7.814 3.161 -10.725 805 HG21 VAL 105 3HG2 VAL 105 3.812 3.167 -9.326 806 HG22 VAL 105 1HG2 VAL 105 4.646 4.689 -9.626 807 HG23 VAL 105 2HG2 VAL 105 5.126 3.683 -8.259 808 H ARG 106 H ARG 106 5.094 0.310 -11.882 809 HA ARG 106 HA ARG 106 2.173 0.288 -11.647 810 HB2 ARG 106 2HB ARG 106 4.069 -1.763 -12.836 811 HB3 ARG 106 1HB ARG 106 2.390 -2.088 -12.537 812 HG2 ARG 106 2HG ARG 106 2.547 -1.540 -14.867 813 HG3 ARG 106 1HG ARG 106 1.773 -0.178 -14.064 814 HD2 ARG 106 2HD ARG 106 4.152 0.814 -13.942 815 HD3 ARG 106 1HD ARG 106 4.559 -0.399 -15.155 816 HE ARG 106 HE ARG 106 2.252 1.103 -15.860 817 HH11 ARG 106 1HH1 ARG 106 5.783 1.141 -15.959 818 HH12 ARG 106 2HH1 ARG 106 5.865 2.409 -17.095 819 HH21 ARG 106 1HH2 ARG 106 2.374 2.849 -17.389 820 HH22 ARG 106 2HH2 ARG 106 3.898 3.388 -17.949 821 H LEU 107 H LEU 107 1.324 -0.566 -9.780 822 HA LEU 107 HA LEU 107 3.239 -2.041 -8.126 823 HB2 LEU 107 2HB LEU 107 0.875 -0.605 -7.024 824 HB3 LEU 107 1HB LEU 107 2.406 -0.962 -6.274 825 HG LEU 107 HG LEU 107 2.049 1.159 -8.384 826 HD11 LEU 107 1HD1 LEU 107 2.170 2.739 -6.542 827 HD12 LEU 107 2HD1 LEU 107 2.108 1.390 -5.394 828 HD13 LEU 107 3HD1 LEU 107 0.746 1.706 -6.477 829 HD21 LEU 107 3HD2 LEU 107 4.171 1.938 -7.679 830 HD22 LEU 107 1HD2 LEU 107 4.319 0.240 -8.108 831 HD23 LEU 107 2HD2 LEU 107 4.254 0.746 -6.400 832 H LEU 108 H LEU 108 2.333 -3.817 -7.175 833 HA LEU 108 HA LEU 108 -0.334 -4.465 -8.103 834 HB2 LEU 108 2HB LEU 108 2.102 -6.047 -8.059 835 HB3 LEU 108 1HB LEU 108 0.725 -6.888 -7.396 836 HG LEU 108 HG LEU 108 -0.474 -6.263 -9.526 837 HD11 LEU 108 1HD1 LEU 108 1.002 -4.507 -10.318 838 HD12 LEU 108 2HD1 LEU 108 0.936 -5.804 -11.512 839 HD13 LEU 108 3HD1 LEU 108 2.339 -5.650 -10.456 840 HD21 LEU 108 3HD2 LEU 108 0.526 -8.116 -10.824 841 HD22 LEU 108 1HD2 LEU 108 0.286 -8.527 -9.127 842 HD23 LEU 108 2HD2 LEU 108 1.898 -8.121 -9.718 843 H VAL 109 H VAL 109 -1.725 -4.697 -6.694 844 HA VAL 109 HA VAL 109 -0.849 -5.115 -3.914 845 HB VAL 109 HB VAL 109 -2.461 -3.623 -3.027 846 HG11 VAL 109 1HG1 VAL 109 -1.135 -2.197 -5.310 847 HG12 VAL 109 2HG1 VAL 109 -0.424 -2.568 -3.743 848 HG13 VAL 109 3HG1 VAL 109 -1.788 -1.453 -3.842 849 HG21 VAL 109 3HG2 VAL 109 -4.324 -4.005 -4.518 850 HG22 VAL 109 1HG2 VAL 109 -3.492 -3.151 -5.816 851 HG23 VAL 109 2HG2 VAL 109 -4.014 -2.277 -4.377 852 H THR 110 H THR 110 -2.280 -6.203 -2.596 853 HA THR 110 HA THR 110 -4.290 -7.702 -4.072 854 HB THR 110 HB THR 110 -4.191 -9.300 -2.152 855 HG1 THR 110 1HG THR 110 -1.871 -7.732 -1.508 856 HG21 THR 110 3HG2 THR 110 -1.654 -8.909 -3.717 857 HG22 THR 110 1HG2 THR 110 -3.090 -9.794 -4.230 858 HG23 THR 110 2HG2 THR 110 -2.120 -10.400 -2.884 859 H ARG 111 H ARG 111 -6.345 -7.448 -3.529 860 HA ARG 111 HA ARG 111 -6.775 -5.437 -1.538 861 HB2 ARG 111 2HB ARG 111 -8.628 -6.561 -3.634 862 HB3 ARG 111 1HB ARG 111 -9.144 -5.431 -2.378 863 HG2 ARG 111 2HG ARG 111 -7.476 -3.804 -3.175 864 HG3 ARG 111 1HG ARG 111 -7.025 -4.920 -4.457 865 HD2 ARG 111 2HD ARG 111 -9.181 -4.750 -5.466 866 HD3 ARG 111 1HD ARG 111 -9.816 -3.842 -4.095 867 HE ARG 111 HE ARG 111 -7.597 -2.511 -5.223 868 HH11 ARG 111 1HH1 ARG 111 -10.987 -3.147 -5.898 869 HH12 ARG 111 2HH1 ARG 111 -11.261 -1.681 -6.710 870 HH21 ARG 111 1HH2 ARG 111 -7.970 -0.469 -6.351 871 HH22 ARG 111 2HH2 ARG 111 -9.516 -0.147 -6.978 872 H GLN 112 H GLN 112 -6.585 -6.270 0.277 873 HA GLN 112 HA GLN 112 -7.899 -8.801 1.006 874 HB2 GLN 112 2HB GLN 112 -5.930 -7.133 2.572 875 HB3 GLN 112 1HB GLN 112 -6.462 -8.759 2.950 876 HG2 GLN 112 2HG GLN 112 -4.857 -7.987 0.520 877 HG3 GLN 112 1HG GLN 112 -4.187 -8.647 2.010 878 HE21 GLN 112 1HE2 GLN 112 -5.984 -9.322 -0.847 879 HE22 GLN 112 2HE2 GLN 112 -5.902 -11.048 -0.737 880 H SER 113 H SER 113 -7.798 -5.367 1.658 881 HA SER 113 HA SER 113 -9.614 -5.697 3.901 882 HB2 SER 113 2HB SER 113 -7.528 -4.517 4.454 883 HB3 SER 113 1HB SER 113 -7.832 -3.349 3.174 884 HG SER 113 HG SER 113 -9.606 -2.629 4.297 885 H LEU 114 H LEU 114 -9.804 -5.294 0.896 886 HA LEU 114 HA LEU 114 -12.398 -4.063 1.083 887 HB2 LEU 114 2HB LEU 114 -10.931 -2.142 0.538 888 HB3 LEU 114 1HB LEU 114 -10.411 -2.978 -0.914 889 HG LEU 114 HG LEU 114 -12.697 -2.899 -1.800 890 HD11 LEU 114 1HD1 LEU 114 -13.949 -2.954 0.257 891 HD12 LEU 114 2HD1 LEU 114 -14.397 -1.529 -0.672 892 HD13 LEU 114 3HD1 LEU 114 -13.318 -1.376 0.717 893 HD21 LEU 114 3HD2 LEU 114 -11.225 -1.080 -2.403 894 HD22 LEU 114 1HD2 LEU 114 -11.620 -0.227 -0.907 895 HD23 LEU 114 2HD2 LEU 114 -12.851 -0.460 -2.144 896 H GLN 115 H GLN 115 -13.532 -5.594 0.401 897 HA GLN 115 HA GLN 115 -12.587 -7.390 -1.640 898 HB2 GLN 115 2HB GLN 115 -15.100 -7.422 0.025 899 HB3 GLN 115 1HB GLN 115 -14.564 -8.721 -1.029 900 HG2 GLN 115 2HG GLN 115 -12.634 -9.101 0.326 901 HG3 GLN 115 1HG GLN 115 -12.997 -7.703 1.330 902 HE21 GLN 115 1HE2 GLN 115 -15.861 -8.290 1.422 903 HE22 GLN 115 2HE2 GLN 115 -16.042 -9.645 2.476 904 H LYS 116 H LYS 116 -15.842 -6.086 -1.090 905 HA LYS 116 HA LYS 116 -17.547 -5.620 -2.533 906 HB2 LYS 116 2HB LYS 116 -15.329 -4.113 -3.965 907 HB3 LYS 116 1HB LYS 116 -17.045 -3.878 -4.244 908 HG2 LYS 116 2HG LYS 116 -15.544 -3.281 -1.699 909 HG3 LYS 116 1HG LYS 116 -16.150 -2.101 -2.862 910 HD2 LYS 116 2HD LYS 116 -18.448 -2.911 -2.405 911 HD3 LYS 116 1HD LYS 116 -17.795 -3.975 -1.163 912 HE2 LYS 116 2HE LYS 116 -18.638 -1.990 -0.092 913 HE3 LYS 116 1HE LYS 116 -16.878 -1.985 -0.004 914 HZ1 LYS 116 3HZ LYS 116 -17.806 0.208 -0.637 915 HZ2 LYS 116 1HZ LYS 116 -18.482 -0.485 -2.003 916 HZ3 LYS 116 2HZ LYS 116 -16.810 -0.395 -1.833 917 H ALA 117 H ALA 117 -16.527 -8.020 -2.864 918 HA ALA 117 HA ALA 117 -15.433 -8.726 -5.319 919 HB1 ALA 117 1HB ALA 117 -15.931 -10.993 -4.750 920 HB2 ALA 117 2HB ALA 117 -17.023 -10.471 -3.463 921 HB3 ALA 117 3HB ALA 117 -15.286 -10.141 -3.345 922 H VAL 118 H VAL 118 -16.173 -9.497 -7.091 923 HA VAL 118 HA VAL 118 -17.389 -9.328 -8.927 924 HB VAL 118 HB VAL 118 -17.835 -11.620 -8.060 925 HG11 VAL 118 1HG1 VAL 118 -20.438 -10.556 -7.055 926 HG12 VAL 118 2HG1 VAL 118 -19.119 -11.249 -6.114 927 HG13 VAL 118 3HG1 VAL 118 -20.044 -12.266 -7.222 928 HG21 VAL 118 3HG2 VAL 118 -18.498 -11.131 -10.314 929 HG22 VAL 118 1HG2 VAL 118 -20.042 -10.480 -9.757 930 HG23 VAL 118 2HG2 VAL 118 -19.688 -12.199 -9.570 931 H GLN 119 H GLN 119 -17.603 -7.195 -7.658 932 HA GLN 119 HA GLN 119 -20.193 -6.127 -8.524 933 HB2 GLN 119 2HB GLN 119 -20.414 -6.368 -6.112 934 HB3 GLN 119 1HB GLN 119 -18.913 -5.482 -5.868 935 HG2 GLN 119 2HG GLN 119 -19.950 -3.483 -6.842 936 HG3 GLN 119 1HG GLN 119 -21.453 -4.372 -7.048 937 HE21 GLN 119 1HE2 GLN 119 -19.392 -4.766 -4.265 938 HE22 GLN 119 2HE2 GLN 119 -20.472 -4.017 -3.149 939 H GLN 120 H GLN 120 -17.147 -4.950 -7.020 940 HA GLN 120 HA GLN 120 -17.198 -2.643 -8.737 941 HB2 GLN 120 2HB GLN 120 -15.061 -2.005 -7.723 942 HB3 GLN 120 1HB GLN 120 -16.227 -2.450 -6.493 943 HG2 GLN 120 2HG GLN 120 -15.114 -4.592 -6.181 944 HG3 GLN 120 1HG GLN 120 -13.996 -4.217 -7.495 945 HE21 GLN 120 1HE2 GLN 120 -13.387 -4.765 -4.636 946 HE22 GLN 120 2HE2 GLN 120 -12.585 -3.356 -4.085 947 H SER 121 H SER 121 -16.003 -5.765 -8.926 948 HA SER 121 HA SER 121 -15.241 -5.394 -11.625 949 HB2 SER 121 2HB SER 121 -13.101 -4.953 -10.345 950 HB3 SER 121 1HB SER 121 -13.271 -6.540 -9.598 951 HG SER 121 HG SER 121 -13.395 -6.539 -12.354 952 H MET 122 H MET 122 -15.878 -7.262 -12.645 953 HA MET 122 HA MET 122 -16.620 -9.470 -10.880 954 HB2 MET 122 2HB MET 122 -18.342 -10.150 -12.474 955 HB3 MET 122 1HB MET 122 -18.602 -8.490 -11.990 956 HG2 MET 122 2HG MET 122 -17.311 -9.319 -14.584 957 HG3 MET 122 1HG MET 122 -19.024 -8.965 -14.396 958 HE1 MET 122 3HE MET 122 -17.702 -5.910 -16.451 959 HE2 MET 122 1HE MET 122 -18.888 -7.210 -16.372 960 HE3 MET 122 2HE MET 122 -17.179 -7.589 -16.579 961 H LEU 123 H LEU 123 -16.637 -11.616 -12.156 962 HA LEU 123 HA LEU 123 -13.956 -11.805 -13.204 963 HB2 LEU 123 2HB LEU 123 -14.761 -13.383 -11.478 964 HB3 LEU 123 1HB LEU 123 -15.977 -13.966 -12.589 965 HG LEU 123 HG LEU 123 -14.171 -14.793 -14.069 966 HD11 LEU 123 1HD1 LEU 123 -11.892 -14.957 -13.175 967 HD12 LEU 123 2HD1 LEU 123 -12.369 -13.981 -11.786 968 HD13 LEU 123 3HD1 LEU 123 -12.384 -13.281 -13.405 969 HD21 LEU 123 3HD2 LEU 123 -15.267 -16.255 -12.463 970 HD22 LEU 123 1HD2 LEU 123 -14.090 -15.800 -11.231 971 HD23 LEU 123 2HD2 LEU 123 -13.569 -16.683 -12.668 972 H SER 124 H SER 124 -14.231 -10.787 -15.181 973 HA SER 124 HA SER 124 -15.287 -12.442 -17.283 974 HB2 SER 124 2HB SER 124 -16.136 -9.543 -16.936 975 HB3 SER 124 1HB SER 124 -16.596 -10.614 -18.261 976 HG SER 124 HG SER 124 -17.147 -11.834 -16.007 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -7.352 -11.205 -17.960 2 H2 GLY 1 2HT GLY 1 -5.711 -11.395 -18.296 3 H3 GLY 1 3HT GLY 1 -6.737 -10.780 -19.474 4 HA2 GLY 1 1HA GLY 1 -7.116 -8.803 -18.153 5 HA3 GLY 1 2HA GLY 1 -6.048 -9.469 -16.919 6 H SER 2 H SER 2 -5.338 -7.093 -17.777 7 HA SER 2 HA SER 2 -3.602 -7.277 -20.081 8 HB2 SER 2 2HB SER 2 -5.037 -5.282 -19.642 9 HB3 SER 2 1HB SER 2 -4.111 -4.969 -18.179 10 HG SER 2 HG SER 2 -2.251 -4.991 -19.722 11 H TYR 3 H TYR 3 -3.306 -8.228 -16.939 12 HA TYR 3 HA TYR 3 -0.463 -8.182 -17.028 13 HB2 TYR 3 2HB TYR 3 -0.455 -7.573 -14.650 14 HB3 TYR 3 1HB TYR 3 -0.987 -6.230 -15.673 15 HD1 TYR 3 1HD TYR 3 -3.549 -5.860 -15.789 16 HD2 TYR 3 2HD TYR 3 -1.692 -8.243 -12.793 17 HE1 TYR 3 1HE TYR 3 -5.530 -5.618 -14.378 18 HE2 TYR 3 2HE TYR 3 -3.688 -8.002 -11.370 19 HH TYR 3 HH TYR 3 -6.600 -6.768 -12.598 20 H ILE 4 H ILE 4 0.095 -9.645 -14.915 21 HA ILE 4 HA ILE 4 -1.808 -11.861 -15.024 22 HB ILE 4 HB ILE 4 1.222 -12.044 -14.691 23 HG12 ILE 4 2HG1 ILE 4 1.033 -13.538 -16.784 24 HG13 ILE 4 1HG1 ILE 4 -0.577 -12.872 -16.983 25 HG21 ILE 4 1HG2 ILE 4 0.135 -13.694 -13.310 26 HG22 ILE 4 2HG2 ILE 4 0.940 -14.477 -14.672 27 HG23 ILE 4 3HG2 ILE 4 -0.811 -14.255 -14.686 28 HD11 ILE 4 3HD1 ILE 4 1.020 -11.763 -18.424 29 HD12 ILE 4 1HD1 ILE 4 2.006 -11.322 -17.028 30 HD13 ILE 4 2HD1 ILE 4 0.392 -10.637 -17.220 31 HA PRO 5 HA PRO 5 -1.826 -10.604 -10.642 32 HB2 PRO 5 2HB PRO 5 -4.237 -11.679 -10.083 33 HB3 PRO 5 1HB PRO 5 -4.059 -10.061 -10.787 34 HG2 PRO 5 2HG PRO 5 -4.798 -12.646 -12.080 35 HG3 PRO 5 1HG PRO 5 -5.390 -11.014 -12.425 36 HD2 PRO 5 2HD PRO 5 -3.534 -12.306 -13.956 37 HD3 PRO 5 1HD PRO 5 -3.640 -10.541 -13.817 38 H GLY 6 H GLY 6 -2.127 -11.836 -8.675 39 HA2 GLY 6 2HA GLY 6 -1.740 -14.731 -9.017 40 HA3 GLY 6 1HA GLY 6 -0.862 -13.786 -7.814 41 H GLN 7 H GLN 7 -4.190 -14.167 -8.892 42 HA GLN 7 HA GLN 7 -5.251 -13.687 -6.261 43 HB2 GLN 7 2HB GLN 7 -6.533 -12.818 -7.980 44 HB3 GLN 7 1HB GLN 7 -6.455 -14.282 -8.956 45 HG2 GLN 7 2HG GLN 7 -7.928 -15.387 -7.308 46 HG3 GLN 7 1HG GLN 7 -8.009 -13.880 -6.400 47 HE21 GLN 7 1HE2 GLN 7 -9.206 -12.219 -7.189 48 HE22 GLN 7 2HE2 GLN 7 -10.330 -12.383 -8.492 49 HA PRO 8 HA PRO 8 -5.417 -18.026 -5.261 50 HB2 PRO 8 2HB PRO 8 -6.817 -17.747 -2.902 51 HB3 PRO 8 1HB PRO 8 -5.070 -17.553 -3.021 52 HG2 PRO 8 2HG PRO 8 -7.183 -15.494 -2.758 53 HG3 PRO 8 1HG PRO 8 -5.492 -15.441 -2.251 54 HD2 PRO 8 2HD PRO 8 -6.567 -14.204 -4.521 55 HD3 PRO 8 1HD PRO 8 -4.852 -14.485 -4.183 56 H VAL 9 H VAL 9 -8.285 -16.450 -3.977 57 HA VAL 9 HA VAL 9 -9.952 -17.194 -6.165 58 HB VAL 9 HB VAL 9 -11.731 -18.253 -4.549 59 HG11 VAL 9 1HG1 VAL 9 -10.886 -20.518 -4.923 60 HG12 VAL 9 2HG1 VAL 9 -9.308 -19.856 -5.352 61 HG13 VAL 9 3HG1 VAL 9 -10.712 -19.512 -6.361 62 HG21 VAL 9 3HG2 VAL 9 -9.208 -18.842 -3.008 63 HG22 VAL 9 1HG2 VAL 9 -10.780 -19.587 -2.719 64 HG23 VAL 9 2HG2 VAL 9 -10.566 -17.859 -2.456 65 H THR 10 H THR 10 -10.198 -16.101 -2.756 66 HA THR 10 HA THR 10 -12.376 -14.417 -3.521 67 HB THR 10 HB THR 10 -12.495 -15.628 -1.395 68 HG1 THR 10 1HG THR 10 -12.306 -12.833 -0.866 69 HG21 THR 10 3HG2 THR 10 -11.069 -15.017 0.531 70 HG22 THR 10 1HG2 THR 10 -10.162 -13.916 -0.511 71 HG23 THR 10 2HG2 THR 10 -10.101 -15.635 -0.818 72 H ALA 11 H ALA 11 -9.063 -13.912 -2.365 73 HA ALA 11 HA ALA 11 -9.250 -11.094 -2.323 74 HB1 ALA 11 1HB ALA 11 -6.857 -11.131 -2.108 75 HB2 ALA 11 2HB ALA 11 -6.834 -12.865 -2.485 76 HB3 ALA 11 3HB ALA 11 -7.599 -12.290 -0.996 77 H VAL 12 H VAL 12 -8.739 -9.673 -3.792 78 HA VAL 12 HA VAL 12 -8.286 -10.672 -6.513 79 HB VAL 12 HB VAL 12 -9.502 -8.022 -5.663 80 HG11 VAL 12 1HG1 VAL 12 -8.347 -7.853 -7.803 81 HG12 VAL 12 2HG1 VAL 12 -10.093 -7.733 -8.018 82 HG13 VAL 12 3HG1 VAL 12 -9.259 -9.235 -8.415 83 HG21 VAL 12 3HG2 VAL 12 -10.831 -10.458 -6.834 84 HG22 VAL 12 1HG2 VAL 12 -11.621 -8.921 -6.491 85 HG23 VAL 12 2HG2 VAL 12 -10.977 -9.903 -5.170 86 H VAL 13 H VAL 13 -6.348 -10.322 -7.271 87 HA VAL 13 HA VAL 13 -4.668 -8.247 -6.101 88 HB VAL 13 HB VAL 13 -3.937 -10.306 -8.185 89 HG11 VAL 13 1HG1 VAL 13 -2.414 -8.437 -8.043 90 HG12 VAL 13 2HG1 VAL 13 -1.638 -9.908 -7.450 91 HG13 VAL 13 3HG1 VAL 13 -2.219 -8.692 -6.310 92 HG21 VAL 13 3HG2 VAL 13 -4.721 -11.513 -6.271 93 HG22 VAL 13 1HG2 VAL 13 -3.711 -10.569 -5.182 94 HG23 VAL 13 2HG2 VAL 13 -2.970 -11.649 -6.357 95 H GLN 14 H GLN 14 -4.602 -6.390 -7.111 96 HA GLN 14 HA GLN 14 -5.356 -6.281 -9.948 97 HB2 GLN 14 2HB GLN 14 -6.720 -4.264 -9.468 98 HB3 GLN 14 1HB GLN 14 -7.332 -5.708 -8.674 99 HG2 GLN 14 2HG GLN 14 -7.357 -4.513 -6.765 100 HG3 GLN 14 1HG GLN 14 -5.610 -4.600 -6.829 101 HE21 GLN 14 1HE2 GLN 14 -4.463 -2.881 -7.608 102 HE22 GLN 14 2HE2 GLN 14 -5.156 -1.301 -7.673 103 H ARG 15 H ARG 15 -4.644 -4.301 -11.033 104 HA ARG 15 HA ARG 15 -1.982 -3.684 -10.030 105 HB2 ARG 15 2HB ARG 15 -1.333 -3.134 -12.279 106 HB3 ARG 15 1HB ARG 15 -2.235 -4.633 -12.333 107 HG2 ARG 15 2HG ARG 15 -3.109 -3.571 -14.163 108 HG3 ARG 15 1HG ARG 15 -4.236 -3.003 -12.938 109 HD2 ARG 15 2HD ARG 15 -2.888 -0.937 -12.693 110 HD3 ARG 15 1HD ARG 15 -1.813 -1.509 -13.961 111 HE ARG 15 HE ARG 15 -4.637 -1.248 -14.593 112 HH11 ARG 15 1HH1 ARG 15 -1.324 -0.053 -15.088 113 HH12 ARG 15 2HH1 ARG 15 -1.724 1.152 -16.190 114 HH21 ARG 15 1HH2 ARG 15 -5.220 0.372 -16.214 115 HH22 ARG 15 2HH2 ARG 15 -4.020 1.376 -16.881 116 H VAL 16 H VAL 16 -1.168 -1.561 -9.983 117 HA VAL 16 HA VAL 16 -3.127 0.603 -10.304 118 HB VAL 16 HB VAL 16 -0.939 0.861 -8.260 119 HG11 VAL 16 1HG1 VAL 16 -3.628 2.123 -8.270 120 HG12 VAL 16 2HG1 VAL 16 -2.221 2.724 -9.125 121 HG13 VAL 16 3HG1 VAL 16 -2.161 2.602 -7.381 122 HG21 VAL 16 3HG2 VAL 16 -3.643 -0.301 -7.592 123 HG22 VAL 16 1HG2 VAL 16 -2.403 0.169 -6.431 124 HG23 VAL 16 2HG2 VAL 16 -2.111 -1.175 -7.534 125 H GLU 17 H GLU 17 -2.062 2.573 -11.030 126 HA GLU 17 HA GLU 17 0.742 2.404 -11.588 127 HB2 GLU 17 2HB GLU 17 -0.282 1.344 -13.536 128 HB3 GLU 17 1HB GLU 17 -1.337 2.728 -13.746 129 HG2 GLU 17 2HG GLU 17 0.478 4.117 -14.346 130 HG3 GLU 17 1HG GLU 17 1.643 2.868 -13.890 131 H ILE 18 H ILE 18 1.364 4.081 -10.641 132 HA ILE 18 HA ILE 18 -0.305 6.482 -10.509 133 HB ILE 18 HB ILE 18 2.101 5.570 -8.950 134 HG12 ILE 18 2HG1 ILE 18 0.637 6.437 -7.004 135 HG13 ILE 18 1HG1 ILE 18 -0.620 6.589 -8.219 136 HG21 ILE 18 1HG2 ILE 18 1.204 8.434 -9.042 137 HG22 ILE 18 2HG2 ILE 18 2.739 7.786 -9.608 138 HG23 ILE 18 3HG2 ILE 18 2.340 7.740 -7.884 139 HD11 ILE 18 3HD1 ILE 18 0.750 4.029 -7.503 140 HD12 ILE 18 1HD1 ILE 18 -0.631 4.218 -8.578 141 HD13 ILE 18 2HD1 ILE 18 -0.788 4.549 -6.845 142 H HIS 19 H HIS 19 -0.034 8.144 -11.721 143 HA HIS 19 HA HIS 19 2.430 8.376 -13.298 144 HB2 HIS 19 2HB HIS 19 -0.280 9.541 -13.670 145 HB3 HIS 19 1HB HIS 19 1.091 9.970 -14.687 146 HD1 HIS 19 1HD HIS 19 -1.060 9.083 -16.366 147 HD2 HIS 19 2HD HIS 19 1.264 6.345 -14.327 148 HE1 HIS 19 1HE HIS 19 -1.460 6.895 -17.511 149 H LYS 20 H LYS 20 3.773 9.633 -12.172 150 HA LYS 20 HA LYS 20 4.618 11.527 -11.079 151 HB2 LYS 20 2HB LYS 20 4.793 13.315 -12.793 152 HB3 LYS 20 1HB LYS 20 5.214 11.715 -13.375 153 HG2 LYS 20 2HG LYS 20 2.784 11.612 -14.245 154 HG3 LYS 20 1HG LYS 20 2.756 13.349 -13.973 155 HD2 LYS 20 2HD LYS 20 3.294 12.921 -16.287 156 HD3 LYS 20 1HD LYS 20 4.740 13.543 -15.486 157 HE2 LYS 20 2HE LYS 20 5.627 11.287 -15.284 158 HE3 LYS 20 1HE LYS 20 4.150 10.618 -15.964 159 HZ1 LYS 20 3HZ LYS 20 5.973 12.456 -17.389 160 HZ2 LYS 20 1HZ LYS 20 4.681 11.605 -18.061 161 HZ3 LYS 20 2HZ LYS 20 6.070 10.791 -17.484 162 H LEU 21 H LEU 21 3.664 12.199 -9.246 163 HA LEU 21 HA LEU 21 1.672 14.310 -9.615 164 HB2 LEU 21 2HB LEU 21 0.811 12.550 -8.329 165 HB3 LEU 21 1HB LEU 21 2.251 12.492 -7.317 166 HG LEU 21 HG LEU 21 1.601 14.843 -6.613 167 HD11 LEU 21 1HD1 LEU 21 -0.726 15.497 -6.849 168 HD12 LEU 21 2HD1 LEU 21 -1.020 14.097 -7.875 169 HD13 LEU 21 3HD1 LEU 21 0.088 15.363 -8.407 170 HD21 LEU 21 3HD2 LEU 21 1.302 12.970 -5.113 171 HD22 LEU 21 1HD2 LEU 21 -0.237 12.569 -5.875 172 HD23 LEU 21 2HD2 LEU 21 -0.067 14.070 -4.969 173 H ARG 22 H ARG 22 2.388 16.270 -9.303 174 HA ARG 22 HA ARG 22 4.932 16.608 -7.904 175 HB2 ARG 22 2HB ARG 22 3.644 18.418 -9.972 176 HB3 ARG 22 1HB ARG 22 5.143 18.760 -9.123 177 HG2 ARG 22 2HG ARG 22 5.846 17.963 -11.207 178 HG3 ARG 22 1HG ARG 22 6.014 16.569 -10.147 179 HD2 ARG 22 2HD ARG 22 5.041 15.731 -12.130 180 HD3 ARG 22 1HD ARG 22 3.697 15.871 -10.998 181 HE ARG 22 HE ARG 22 4.168 18.139 -12.707 182 HH11 ARG 22 1HH1 ARG 22 2.182 15.172 -12.268 183 HH12 ARG 22 2HH1 ARG 22 1.060 15.640 -13.442 184 HH21 ARG 22 1HH2 ARG 22 2.596 18.674 -14.359 185 HH22 ARG 22 2HH2 ARG 22 1.307 17.619 -14.686 186 H GLN 23 H GLN 23 4.608 17.037 -5.864 187 HA GLN 23 HA GLN 23 2.412 18.833 -5.125 188 HB2 GLN 23 2HB GLN 23 3.911 16.715 -3.591 189 HB3 GLN 23 1HB GLN 23 2.735 17.807 -2.880 190 HG2 GLN 23 2HG GLN 23 2.060 16.041 -5.181 191 HG3 GLN 23 1HG GLN 23 1.962 15.450 -3.526 192 HE21 GLN 23 1HE2 GLN 23 1.029 17.903 -2.386 193 HE22 GLN 23 2HE2 GLN 23 -0.583 18.107 -2.937 194 H GLY 24 H GLY 24 3.218 20.781 -4.900 195 HA2 GLY 24 2HA GLY 24 4.495 22.506 -4.069 196 HA3 GLY 24 1HA GLY 24 5.124 21.350 -2.919 197 H GLU 25 H GLU 25 7.067 20.606 -3.128 198 HA GLU 25 HA GLU 25 8.664 21.450 -5.446 199 HB2 GLU 25 2HB GLU 25 9.400 21.189 -2.536 200 HB3 GLU 25 1HB GLU 25 10.541 21.539 -3.822 201 HG2 GLU 25 2HG GLU 25 9.573 23.644 -4.238 202 HG3 GLU 25 1HG GLU 25 8.153 23.260 -3.264 203 H ASN 26 H ASN 26 7.180 18.842 -4.752 204 HA ASN 26 HA ASN 26 9.526 17.020 -4.901 205 HB2 ASN 26 2HB ASN 26 7.008 16.070 -3.618 206 HB3 ASN 26 1HB ASN 26 8.658 15.533 -3.389 207 HD21 ASN 26 1HD2 ASN 26 6.232 17.729 -2.549 208 HD22 ASN 26 2HD2 ASN 26 6.907 18.434 -1.176 209 H LEU 27 H LEU 27 8.724 14.819 -5.527 210 HA LEU 27 HA LEU 27 6.405 14.808 -7.286 211 HB2 LEU 27 2HB LEU 27 8.760 14.642 -8.376 212 HB3 LEU 27 1HB LEU 27 8.934 13.141 -7.508 213 HG LEU 27 HG LEU 27 8.421 12.715 -9.839 214 HD11 LEU 27 1HD1 LEU 27 6.471 11.263 -9.663 215 HD12 LEU 27 2HD1 LEU 27 6.098 11.970 -8.093 216 HD13 LEU 27 3HD1 LEU 27 7.592 11.064 -8.318 217 HD21 LEU 27 3HD2 LEU 27 5.879 14.253 -9.385 218 HD22 LEU 27 1HD2 LEU 27 6.288 13.344 -10.838 219 HD23 LEU 27 2HD2 LEU 27 7.252 14.749 -10.377 220 H ILE 28 H ILE 28 4.976 13.466 -6.302 221 HA ILE 28 HA ILE 28 6.096 11.354 -4.596 222 HB ILE 28 HB ILE 28 3.402 12.334 -3.832 223 HG12 ILE 28 2HG1 ILE 28 5.870 14.032 -3.234 224 HG13 ILE 28 1HG1 ILE 28 4.446 14.477 -4.153 225 HG21 ILE 28 1HG2 ILE 28 4.266 11.915 -1.585 226 HG22 ILE 28 2HG2 ILE 28 5.859 11.596 -2.264 227 HG23 ILE 28 3HG2 ILE 28 4.505 10.529 -2.652 228 HD11 ILE 28 3HD1 ILE 28 4.408 13.830 -1.221 229 HD12 ILE 28 1HD1 ILE 28 3.054 14.385 -2.208 230 HD13 ILE 28 2HD1 ILE 28 4.420 15.456 -1.923 231 H LEU 29 H LEU 29 4.547 9.570 -4.365 232 HA LEU 29 HA LEU 29 3.067 9.208 -6.826 233 HB2 LEU 29 2HB LEU 29 3.976 7.335 -4.658 234 HB3 LEU 29 1HB LEU 29 2.803 6.836 -5.851 235 HG LEU 29 HG LEU 29 4.474 7.243 -7.637 236 HD11 LEU 29 1HD1 LEU 29 5.896 8.903 -6.555 237 HD12 LEU 29 2HD1 LEU 29 6.835 7.510 -7.090 238 HD13 LEU 29 3HD1 LEU 29 6.427 7.694 -5.386 239 HD21 LEU 29 3HD2 LEU 29 4.132 5.056 -6.672 240 HD22 LEU 29 1HD2 LEU 29 5.373 5.379 -5.469 241 HD23 LEU 29 2HD2 LEU 29 5.813 5.282 -7.175 242 H GLY 30 H GLY 30 2.437 10.538 -3.982 243 HA2 GLY 30 2HA GLY 30 0.380 11.370 -3.411 244 HA3 GLY 30 1HA GLY 30 -0.366 10.116 -4.380 245 H PHE 31 H PHE 31 0.973 7.922 -3.074 246 HA PHE 31 HA PHE 31 -0.627 8.002 -0.644 247 HB2 PHE 31 2HB PHE 31 -0.774 5.562 -0.846 248 HB3 PHE 31 1HB PHE 31 -1.180 6.350 -2.346 249 HD1 PHE 31 2HD PHE 31 0.207 6.194 -4.232 250 HD2 PHE 31 1HD PHE 31 1.172 4.241 -0.620 251 HE1 PHE 31 2HE PHE 31 1.776 4.791 -5.447 252 HE2 PHE 31 1HE PHE 31 2.753 2.788 -1.799 253 HZ PHE 31 HZ PHE 31 3.094 3.065 -4.235 254 H SER 32 H SER 32 0.065 6.660 1.171 255 HA SER 32 HA SER 32 2.932 6.504 1.638 256 HB2 SER 32 2HB SER 32 0.863 7.820 3.332 257 HB3 SER 32 1HB SER 32 2.362 7.187 4.013 258 HG SER 32 HG SER 32 1.892 9.386 2.357 259 H ILE 33 H ILE 33 3.225 5.201 3.885 260 HA ILE 33 HA ILE 33 1.565 2.795 3.528 261 HB ILE 33 HB ILE 33 3.447 1.404 3.423 262 HG12 ILE 33 2HG1 ILE 33 5.109 3.846 4.165 263 HG13 ILE 33 1HG1 ILE 33 4.867 2.353 5.075 264 HG21 ILE 33 1HG2 ILE 33 2.917 2.485 1.316 265 HG22 ILE 33 2HG2 ILE 33 4.666 2.254 1.459 266 HG23 ILE 33 3HG2 ILE 33 3.982 3.833 1.716 267 HD11 ILE 33 3HD1 ILE 33 6.536 2.738 2.626 268 HD12 ILE 33 1HD1 ILE 33 6.051 1.154 3.272 269 HD13 ILE 33 2HD1 ILE 33 6.983 2.260 4.270 270 H GLY 34 H GLY 34 2.131 1.168 5.253 271 HA2 GLY 34 2HA GLY 34 2.482 2.603 7.821 272 HA3 GLY 34 1HA GLY 34 1.368 1.248 7.618 273 H GLY 35 H GLY 35 3.783 0.499 5.738 274 HA2 GLY 35 2HA GLY 35 5.902 -0.444 6.187 275 HA3 GLY 35 1HA GLY 35 5.366 -0.751 7.803 276 H GLY 36 H GLY 36 6.396 -2.738 6.817 277 HA2 GLY 36 2HA GLY 36 4.251 -4.530 5.984 278 HA3 GLY 36 1HA GLY 36 5.857 -4.597 5.280 279 H ILE 37 H ILE 37 7.696 -5.162 6.785 280 HA ILE 37 HA ILE 37 6.620 -7.234 8.539 281 HB ILE 37 HB ILE 37 8.590 -8.495 8.373 282 HG12 ILE 37 2HG1 ILE 37 10.218 -6.610 8.550 283 HG13 ILE 37 1HG1 ILE 37 10.706 -7.790 7.304 284 HG21 ILE 37 1HG2 ILE 37 7.192 -8.788 6.542 285 HG22 ILE 37 2HG2 ILE 37 8.862 -8.835 5.952 286 HG23 ILE 37 3HG2 ILE 37 7.866 -7.390 5.703 287 HD11 ILE 37 3HD1 ILE 37 9.719 -6.100 5.731 288 HD12 ILE 37 1HD1 ILE 37 11.149 -5.595 6.642 289 HD13 ILE 37 2HD1 ILE 37 9.552 -5.065 7.153 290 H ASP 38 H ASP 38 8.510 -4.444 8.640 291 HA ASP 38 HA ASP 38 10.006 -4.965 11.026 292 HB2 ASP 38 2HB ASP 38 10.774 -3.423 9.452 293 HB3 ASP 38 1HB ASP 38 9.316 -2.465 9.477 294 H GLN 39 H GLN 39 6.889 -4.127 10.278 295 HA GLN 39 HA GLN 39 6.422 -2.865 12.810 296 HB2 GLN 39 2HB GLN 39 4.215 -2.367 11.290 297 HB3 GLN 39 1HB GLN 39 5.605 -1.300 11.402 298 HG2 GLN 39 2HG GLN 39 5.420 -3.458 9.302 299 HG3 GLN 39 1HG GLN 39 4.742 -1.852 9.072 300 HE21 GLN 39 1HE2 GLN 39 6.977 -0.587 10.307 301 HE22 GLN 39 2HE2 GLN 39 8.381 -0.719 9.372 302 H ASP 40 H ASP 40 4.640 -3.719 14.044 303 HA ASP 40 HA ASP 40 4.350 -6.568 13.545 304 HB2 ASP 40 2HB ASP 40 4.812 -5.374 15.958 305 HB3 ASP 40 1HB ASP 40 3.140 -5.183 15.819 306 HA PRO 41 HA PRO 41 0.444 -6.060 11.641 307 HB2 PRO 41 2HB PRO 41 -0.424 -8.657 12.149 308 HB3 PRO 41 1HB PRO 41 0.493 -8.122 10.740 309 HG2 PRO 41 2HG PRO 41 1.437 -9.440 13.237 310 HG3 PRO 41 1HG PRO 41 2.001 -9.661 11.571 311 HD2 PRO 41 2HD PRO 41 3.377 -8.243 13.351 312 HD3 PRO 41 1HD PRO 41 3.321 -7.762 11.643 313 H SER 42 H SER 42 0.806 -7.334 14.894 314 HA SER 42 HA SER 42 -1.964 -7.489 15.552 315 HB2 SER 42 2HB SER 42 0.252 -7.073 17.527 316 HB3 SER 42 1HB SER 42 -1.230 -8.012 17.717 317 HG SER 42 HG SER 42 1.158 -8.597 16.501 318 H GLN 43 H GLN 43 0.385 -4.960 15.582 319 HA GLN 43 HA GLN 43 -1.449 -3.307 17.108 320 HB2 GLN 43 2HB GLN 43 0.654 -1.820 17.503 321 HB3 GLN 43 1HB GLN 43 0.516 -3.373 18.344 322 HG2 GLN 43 2HG GLN 43 1.798 -4.040 16.165 323 HG3 GLN 43 1HG GLN 43 2.318 -2.360 16.300 324 HE21 GLN 43 1HE2 GLN 43 1.984 -5.268 17.973 325 HE22 GLN 43 2HE2 GLN 43 3.266 -5.100 19.131 326 H ASN 44 H ASN 44 -0.923 -3.939 14.163 327 HA ASN 44 HA ASN 44 -0.615 -1.228 13.124 328 HB2 ASN 44 2HB ASN 44 -0.069 -3.895 12.040 329 HB3 ASN 44 1HB ASN 44 -0.632 -2.723 10.898 330 HD21 ASN 44 1HD2 ASN 44 1.385 -2.013 13.744 331 HD22 ASN 44 2HD2 ASN 44 2.746 -1.455 12.848 332 HA PRO 45 HA PRO 45 -4.770 -0.632 12.133 333 HB2 PRO 45 2HB PRO 45 -4.545 0.812 9.832 334 HB3 PRO 45 1HB PRO 45 -4.208 1.446 11.450 335 HG2 PRO 45 2HG PRO 45 -2.293 0.453 9.378 336 HG3 PRO 45 1HG PRO 45 -2.186 1.901 10.400 337 HD2 PRO 45 2HD PRO 45 -0.861 -0.371 10.947 338 HD3 PRO 45 1HD PRO 45 -1.495 0.701 12.224 339 H PHE 46 H PHE 46 -2.915 -1.404 9.232 340 HA PHE 46 HA PHE 46 -5.274 -2.785 8.160 341 HB2 PHE 46 2HB PHE 46 -2.896 -1.645 6.704 342 HB3 PHE 46 1HB PHE 46 -4.311 -2.359 5.946 343 HD1 PHE 46 1HD PHE 46 -6.584 -1.229 6.401 344 HD2 PHE 46 2HD PHE 46 -2.844 0.561 7.254 345 HE1 PHE 46 1HE PHE 46 -7.665 0.987 6.459 346 HE2 PHE 46 2HE PHE 46 -3.914 2.781 7.316 347 HZ PHE 46 HZ PHE 46 -6.293 3.002 6.916 348 H SER 47 H SER 47 -3.082 -3.799 9.973 349 HA SER 47 HA SER 47 -2.254 -6.023 8.226 350 HB2 SER 47 2HB SER 47 -0.533 -4.290 9.024 351 HB3 SER 47 1HB SER 47 -0.769 -5.019 10.593 352 HG SER 47 HG SER 47 0.970 -5.812 9.019 353 H GLU 48 H GLU 48 -4.198 -5.172 10.742 354 HA GLU 48 HA GLU 48 -3.468 -7.290 12.437 355 HB2 GLU 48 2HB GLU 48 -5.465 -6.613 13.866 356 HB3 GLU 48 1HB GLU 48 -4.197 -5.430 13.638 357 HG2 GLU 48 2HG GLU 48 -6.214 -4.238 13.491 358 HG3 GLU 48 1HG GLU 48 -5.658 -4.404 11.844 359 H ASP 49 H ASP 49 -5.968 -6.666 10.202 360 HA ASP 49 HA ASP 49 -7.573 -8.981 10.625 361 HB2 ASP 49 2HB ASP 49 -8.440 -7.013 9.449 362 HB3 ASP 49 1HB ASP 49 -7.310 -7.290 8.138 363 H LYS 50 H LYS 50 -5.305 -8.282 7.961 364 HA LYS 50 HA LYS 50 -4.814 -11.174 7.817 365 HB2 LYS 50 2HB LYS 50 -4.067 -9.127 5.779 366 HB3 LYS 50 1HB LYS 50 -3.976 -10.859 5.607 367 HG2 LYS 50 2HG LYS 50 -6.540 -9.294 5.818 368 HG3 LYS 50 1HG LYS 50 -5.850 -9.961 4.338 369 HD2 LYS 50 2HD LYS 50 -6.745 -11.576 6.730 370 HD3 LYS 50 1HD LYS 50 -7.682 -11.346 5.259 371 HE2 LYS 50 2HE LYS 50 -5.839 -12.420 3.979 372 HE3 LYS 50 1HE LYS 50 -5.019 -12.742 5.507 373 HZ1 LYS 50 3HZ LYS 50 -7.697 -13.715 4.740 374 HZ2 LYS 50 1HZ LYS 50 -6.929 -14.084 6.194 375 HZ3 LYS 50 2HZ LYS 50 -6.301 -14.647 4.728 376 H THR 51 H THR 51 -3.075 -11.691 8.783 377 HA THR 51 HA THR 51 -1.319 -9.601 9.766 378 HB THR 51 HB THR 51 -0.467 -11.444 11.261 379 HG1 THR 51 1HG THR 51 -1.032 -13.333 10.650 380 HG21 THR 51 3HG2 THR 51 -2.481 -11.418 12.688 381 HG22 THR 51 1HG2 THR 51 -3.434 -10.840 11.323 382 HG23 THR 51 2HG2 THR 51 -2.172 -9.821 12.009 383 H ASP 52 H ASP 52 -1.249 -11.296 7.120 384 HA ASP 52 HA ASP 52 1.447 -12.234 7.025 385 HB2 ASP 52 2HB ASP 52 -0.274 -13.060 5.494 386 HB3 ASP 52 1HB ASP 52 -0.474 -11.449 4.835 387 H LYS 53 H LYS 53 3.095 -10.929 7.136 388 HA LYS 53 HA LYS 53 2.907 -8.147 7.117 389 HB2 LYS 53 2HB LYS 53 5.309 -9.953 7.001 390 HB3 LYS 53 1HB LYS 53 5.372 -8.191 7.152 391 HG2 LYS 53 2HG LYS 53 4.267 -8.245 9.257 392 HG3 LYS 53 1HG LYS 53 3.926 -9.968 9.099 393 HD2 LYS 53 2HD LYS 53 6.142 -10.558 9.414 394 HD3 LYS 53 1HD LYS 53 6.781 -8.969 9.086 395 HE2 LYS 53 2HE LYS 53 5.623 -8.173 11.118 396 HE3 LYS 53 1HE LYS 53 5.204 -9.853 11.504 397 HZ1 LYS 53 3HZ LYS 53 7.176 -9.271 12.704 398 HZ2 LYS 53 1HZ LYS 53 7.901 -8.608 11.342 399 HZ3 LYS 53 2HZ LYS 53 7.693 -10.269 11.446 400 H GLY 54 H GLY 54 4.393 -6.723 5.843 401 HA2 GLY 54 2HA GLY 54 5.437 -6.594 3.487 402 HA3 GLY 54 1HA GLY 54 3.921 -7.342 2.965 403 H ILE 55 H ILE 55 5.125 -4.633 2.393 404 HA ILE 55 HA ILE 55 4.030 -2.578 3.956 405 HB ILE 55 HB ILE 55 4.963 -2.602 1.084 406 HG12 ILE 55 2HG1 ILE 55 6.620 -3.331 2.803 407 HG13 ILE 55 1HG1 ILE 55 7.101 -1.886 1.941 408 HG21 ILE 55 1HG2 ILE 55 4.486 -0.276 2.954 409 HG22 ILE 55 2HG2 ILE 55 3.586 -0.634 1.482 410 HG23 ILE 55 3HG2 ILE 55 5.284 -0.167 1.388 411 HD11 ILE 55 3HD1 ILE 55 6.340 -0.556 3.871 412 HD12 ILE 55 1HD1 ILE 55 7.651 -1.673 4.266 413 HD13 ILE 55 2HD1 ILE 55 5.994 -2.050 4.698 414 H TYR 56 H TYR 56 2.207 -1.648 4.150 415 HA TYR 56 HA TYR 56 0.238 -1.928 2.040 416 HB2 TYR 56 2HB TYR 56 -1.359 -1.591 4.210 417 HB3 TYR 56 1HB TYR 56 -0.894 -3.158 3.549 418 HD1 TYR 56 1HD TYR 56 -0.043 -0.712 6.247 419 HD2 TYR 56 2HD TYR 56 0.364 -4.637 4.719 420 HE1 TYR 56 1HE TYR 56 1.065 -1.409 8.324 421 HE2 TYR 56 2HE TYR 56 1.480 -5.353 6.724 422 HH TYR 56 HH TYR 56 1.803 -3.276 9.538 423 H VAL 57 H VAL 57 -1.136 -0.244 1.765 424 HA VAL 57 HA VAL 57 0.070 2.322 2.283 425 HB VAL 57 HB VAL 57 -2.408 1.555 0.729 426 HG11 VAL 57 1HG1 VAL 57 -0.915 4.150 0.869 427 HG12 VAL 57 2HG1 VAL 57 -2.538 3.838 1.489 428 HG13 VAL 57 3HG1 VAL 57 -2.221 3.770 -0.249 429 HG21 VAL 57 3HG2 VAL 57 0.446 1.982 -0.018 430 HG22 VAL 57 1HG2 VAL 57 -0.863 2.229 -1.178 431 HG23 VAL 57 2HG2 VAL 57 -0.666 0.659 -0.424 432 H THR 58 H THR 58 -0.577 3.787 3.697 433 HA THR 58 HA THR 58 -2.967 3.187 5.269 434 HB THR 58 HB THR 58 -1.801 4.658 6.966 435 HG1 THR 58 1HG THR 58 0.459 4.792 6.640 436 HG21 THR 58 3HG2 THR 58 -1.879 2.246 7.207 437 HG22 THR 58 1HG2 THR 58 -0.292 2.822 7.697 438 HG23 THR 58 2HG2 THR 58 -0.493 2.046 6.126 439 H ARG 59 H ARG 59 -1.456 5.462 3.193 440 HA ARG 59 HA ARG 59 -3.757 7.250 3.466 441 HB2 ARG 59 2HB ARG 59 -0.933 7.841 3.953 442 HB3 ARG 59 1HB ARG 59 -1.761 9.025 2.939 443 HG2 ARG 59 2HG ARG 59 -2.599 8.146 5.699 444 HG3 ARG 59 1HG ARG 59 -1.657 9.595 5.334 445 HD2 ARG 59 2HD ARG 59 -4.474 9.004 4.403 446 HD3 ARG 59 1HD ARG 59 -3.984 10.170 5.630 447 HE ARG 59 HE ARG 59 -2.790 10.595 3.027 448 HH11 ARG 59 1HH1 ARG 59 -5.458 11.521 5.191 449 HH12 ARG 59 2HH1 ARG 59 -5.842 12.921 4.272 450 HH21 ARG 59 1HH2 ARG 59 -3.375 12.475 1.809 451 HH22 ARG 59 2HH2 ARG 59 -4.680 13.444 2.315 452 H VAL 60 H VAL 60 -4.535 7.815 1.502 453 HA VAL 60 HA VAL 60 -2.737 7.587 -0.773 454 HB VAL 60 HB VAL 60 -5.654 6.569 -0.736 455 HG11 VAL 60 1HG1 VAL 60 -5.503 6.154 -3.029 456 HG12 VAL 60 2HG1 VAL 60 -3.898 6.883 -3.064 457 HG13 VAL 60 3HG1 VAL 60 -5.308 7.885 -2.710 458 HG21 VAL 60 3HG2 VAL 60 -3.076 5.258 -1.429 459 HG22 VAL 60 1HG2 VAL 60 -4.686 4.534 -1.521 460 HG23 VAL 60 2HG2 VAL 60 -4.027 5.008 0.044 461 H SER 61 H SER 61 -2.905 9.202 -2.248 462 HA SER 61 HA SER 61 -3.946 11.658 -1.532 463 HB2 SER 61 2HB SER 61 -2.823 10.367 -3.902 464 HB3 SER 61 1HB SER 61 -3.640 11.910 -4.082 465 HG SER 61 HG SER 61 -1.786 11.554 -2.014 466 H GLU 62 H GLU 62 -5.834 11.843 -1.145 467 HA GLU 62 HA GLU 62 -8.221 10.944 -1.909 468 HB2 GLU 62 2HB GLU 62 -9.076 13.081 -1.176 469 HB3 GLU 62 1HB GLU 62 -7.752 12.555 -0.150 470 HG2 GLU 62 2HG GLU 62 -7.520 14.534 -2.381 471 HG3 GLU 62 1HG GLU 62 -7.665 15.020 -0.701 472 H GLY 63 H GLY 63 -6.242 13.093 -3.725 473 HA2 GLY 63 2HA GLY 63 -8.057 12.852 -6.031 474 HA3 GLY 63 1HA GLY 63 -7.547 14.464 -5.538 475 H GLY 64 H GLY 64 -5.510 11.638 -5.355 476 HA2 GLY 64 2HA GLY 64 -3.797 12.956 -7.337 477 HA3 GLY 64 1HA GLY 64 -3.178 12.068 -5.956 478 HA PRO 65 HA PRO 65 -3.237 9.604 -9.945 479 HB2 PRO 65 2HB PRO 65 -0.765 8.548 -9.639 480 HB3 PRO 65 1HB PRO 65 -1.028 10.127 -10.374 481 HG2 PRO 65 2HG PRO 65 -0.258 9.458 -7.564 482 HG3 PRO 65 1HG PRO 65 0.410 10.703 -8.620 483 HD2 PRO 65 2HD PRO 65 -1.421 11.222 -6.706 484 HD3 PRO 65 1HD PRO 65 -1.417 12.138 -8.250 485 H ALA 66 H ALA 66 -2.347 8.846 -6.740 486 HA ALA 66 HA ALA 66 -2.209 6.080 -6.856 487 HB1 ALA 66 1HB ALA 66 -3.045 7.831 -4.570 488 HB2 ALA 66 2HB ALA 66 -1.392 7.391 -4.991 489 HB3 ALA 66 3HB ALA 66 -2.514 6.145 -4.440 490 H GLU 67 H GLU 67 -5.078 8.023 -5.753 491 HA GLU 67 HA GLU 67 -6.527 5.578 -6.167 492 HB2 GLU 67 2HB GLU 67 -8.543 6.796 -5.441 493 HB3 GLU 67 1HB GLU 67 -7.246 6.727 -4.268 494 HG2 GLU 67 2HG GLU 67 -6.724 8.991 -4.574 495 HG3 GLU 67 1HG GLU 67 -7.682 9.145 -6.011 496 H ILE 68 H ILE 68 -5.932 8.379 -8.034 497 HA ILE 68 HA ILE 68 -8.056 8.149 -9.842 498 HB ILE 68 HB ILE 68 -5.204 9.065 -10.213 499 HG12 ILE 68 2HG1 ILE 68 -6.546 10.535 -8.840 500 HG13 ILE 68 1HG1 ILE 68 -6.199 11.309 -10.378 501 HG21 ILE 68 1HG2 ILE 68 -5.884 8.241 -12.346 502 HG22 ILE 68 2HG2 ILE 68 -5.791 10.006 -12.398 503 HG23 ILE 68 3HG2 ILE 68 -7.364 9.201 -12.303 504 HD11 ILE 68 3HD1 ILE 68 -8.462 11.759 -9.720 505 HD12 ILE 68 1HD1 ILE 68 -8.802 10.035 -9.563 506 HD13 ILE 68 2HD1 ILE 68 -8.460 10.726 -11.148 507 H ALA 69 H ALA 69 -5.053 6.422 -9.540 508 HA ALA 69 HA ALA 69 -5.531 4.778 -11.848 509 HB1 ALA 69 1HB ALA 69 -3.590 3.547 -11.164 510 HB2 ALA 69 2HB ALA 69 -3.578 4.383 -9.608 511 HB3 ALA 69 3HB ALA 69 -3.264 5.279 -11.096 512 H GLY 70 H GLY 70 -5.482 4.094 -8.339 513 HA2 GLY 70 2HA GLY 70 -7.806 2.815 -7.997 514 HA3 GLY 70 1HA GLY 70 -6.888 1.600 -8.866 515 H LEU 71 H LEU 71 -5.239 3.708 -6.643 516 HA LEU 71 HA LEU 71 -4.782 1.433 -4.922 517 HB2 LEU 71 2HB LEU 71 -2.840 2.511 -5.685 518 HB3 LEU 71 1HB LEU 71 -3.410 4.100 -5.215 519 HG LEU 71 HG LEU 71 -2.722 3.753 -2.969 520 HD11 LEU 71 1HD1 LEU 71 -2.305 1.440 -2.092 521 HD12 LEU 71 2HD1 LEU 71 -2.537 0.778 -3.707 522 HD13 LEU 71 3HD1 LEU 71 -3.904 1.449 -2.828 523 HD21 LEU 71 3HD2 LEU 71 -0.927 3.805 -4.579 524 HD22 LEU 71 1HD2 LEU 71 -0.961 2.049 -4.689 525 HD23 LEU 71 2HD2 LEU 71 -0.530 2.831 -3.166 526 H GLN 72 H GLN 72 -5.742 1.246 -3.025 527 HA GLN 72 HA GLN 72 -7.142 3.582 -1.970 528 HB2 GLN 72 2HB GLN 72 -7.792 0.648 -1.624 529 HB3 GLN 72 1HB GLN 72 -8.696 1.993 -0.946 530 HG2 GLN 72 2HG GLN 72 -8.347 1.442 -3.873 531 HG3 GLN 72 1HG GLN 72 -9.763 1.019 -2.915 532 HE21 GLN 72 1HE2 GLN 72 -7.859 3.616 -4.132 533 HE22 GLN 72 2HE2 GLN 72 -9.081 4.818 -4.154 534 H ILE 73 H ILE 73 -7.333 3.529 0.251 535 HA ILE 73 HA ILE 73 -4.909 2.939 1.689 536 HB ILE 73 HB ILE 73 -7.602 3.881 2.713 537 HG12 ILE 73 2HG1 ILE 73 -5.038 5.364 2.158 538 HG13 ILE 73 1HG1 ILE 73 -6.528 5.484 1.225 539 HG21 ILE 73 1HG2 ILE 73 -4.963 3.763 4.151 540 HG22 ILE 73 2HG2 ILE 73 -6.371 2.756 4.475 541 HG23 ILE 73 3HG2 ILE 73 -6.442 4.498 4.767 542 HD11 ILE 73 3HD1 ILE 73 -7.641 6.473 3.153 543 HD12 ILE 73 1HD1 ILE 73 -6.193 7.386 2.695 544 HD13 ILE 73 2HD1 ILE 73 -6.155 6.282 4.087 545 H GLY 74 H GLY 74 -4.391 1.049 2.733 546 HA2 GLY 74 2HA GLY 74 -4.969 -0.758 4.155 547 HA3 GLY 74 1HA GLY 74 -6.590 -0.756 3.474 548 H ASP 75 H ASP 75 -4.602 -0.229 0.993 549 HA ASP 75 HA ASP 75 -4.822 -2.898 -0.004 550 HB2 ASP 75 2HB ASP 75 -3.532 -0.398 -1.137 551 HB3 ASP 75 1HB ASP 75 -3.622 -1.921 -1.997 552 H LYS 76 H LYS 76 -3.346 -4.416 0.281 553 HA LYS 76 HA LYS 76 -0.740 -3.604 1.285 554 HB2 LYS 76 2HB LYS 76 -1.830 -6.433 1.032 555 HB3 LYS 76 1HB LYS 76 -0.382 -5.944 1.903 556 HG2 LYS 76 2HG LYS 76 -2.172 -4.430 3.234 557 HG3 LYS 76 1HG LYS 76 -3.235 -5.684 2.655 558 HD2 LYS 76 2HD LYS 76 -0.711 -6.270 4.195 559 HD3 LYS 76 1HD LYS 76 -2.300 -6.103 4.936 560 HE2 LYS 76 2HE LYS 76 -3.108 -7.976 3.677 561 HE3 LYS 76 1HE LYS 76 -1.577 -8.099 2.802 562 HZ1 LYS 76 3HZ LYS 76 -0.489 -8.668 4.863 563 HZ2 LYS 76 1HZ LYS 76 -1.776 -9.692 4.579 564 HZ3 LYS 76 2HZ LYS 76 -1.900 -8.468 5.748 565 H ILE 77 H ILE 77 1.040 -3.663 0.057 566 HA ILE 77 HA ILE 77 0.470 -4.184 -2.754 567 HB ILE 77 HB ILE 77 2.907 -2.805 -1.702 568 HG12 ILE 77 2HG1 ILE 77 1.396 -0.725 -2.648 569 HG13 ILE 77 1HG1 ILE 77 0.174 -1.719 -1.859 570 HG21 ILE 77 1HG2 ILE 77 2.954 -3.529 -4.021 571 HG22 ILE 77 2HG2 ILE 77 2.835 -1.766 -3.961 572 HG23 ILE 77 3HG2 ILE 77 1.410 -2.734 -4.330 573 HD11 ILE 77 3HD1 ILE 77 2.700 -0.754 -0.572 574 HD12 ILE 77 1HD1 ILE 77 1.400 -1.642 0.215 575 HD13 ILE 77 2HD1 ILE 77 1.130 0.003 -0.383 576 H MET 78 H MET 78 1.494 -5.725 -3.881 577 HA MET 78 HA MET 78 3.523 -7.293 -2.441 578 HB2 MET 78 2HB MET 78 1.784 -8.096 -4.773 579 HB3 MET 78 1HB MET 78 2.931 -9.125 -3.950 580 HG2 MET 78 2HG MET 78 0.536 -7.934 -2.575 581 HG3 MET 78 1HG MET 78 0.472 -9.460 -3.434 582 HE1 MET 78 3HE MET 78 2.500 -8.746 0.679 583 HE2 MET 78 1HE MET 78 1.510 -7.576 -0.173 584 HE3 MET 78 2HE MET 78 3.172 -7.900 -0.695 585 H GLN 79 H GLN 79 2.958 -5.353 -5.191 586 HA GLN 79 HA GLN 79 5.639 -5.870 -6.254 587 HB2 GLN 79 2HB GLN 79 4.207 -7.390 -7.430 588 HB3 GLN 79 1HB GLN 79 3.029 -6.138 -7.698 589 HG2 GLN 79 2HG GLN 79 4.369 -6.848 -9.700 590 HG3 GLN 79 1HG GLN 79 4.412 -5.110 -9.372 591 HE21 GLN 79 1HE2 GLN 79 6.287 -4.219 -9.061 592 HE22 GLN 79 2HE2 GLN 79 7.791 -5.067 -9.021 593 H VAL 80 H VAL 80 6.628 -3.992 -6.756 594 HA VAL 80 HA VAL 80 5.050 -1.619 -7.433 595 HB VAL 80 HB VAL 80 7.098 -1.741 -5.179 596 HG11 VAL 80 1HG1 VAL 80 7.625 0.210 -6.523 597 HG12 VAL 80 2HG1 VAL 80 6.901 0.708 -4.992 598 HG13 VAL 80 3HG1 VAL 80 5.945 0.733 -6.474 599 HG21 VAL 80 3HG2 VAL 80 4.907 -2.258 -4.445 600 HG22 VAL 80 1HG2 VAL 80 4.226 -0.870 -5.276 601 HG23 VAL 80 2HG2 VAL 80 5.295 -0.621 -3.909 602 H ASN 81 H ASN 81 5.819 -1.159 -9.374 603 HA ASN 81 HA ASN 81 7.152 -0.469 -10.977 604 HB2 ASN 81 2HB ASN 81 7.703 1.111 -9.033 605 HB3 ASN 81 1HB ASN 81 9.201 0.208 -8.876 606 HD21 ASN 81 1HD2 ASN 81 7.631 0.880 -11.933 607 HD22 ASN 81 2HD2 ASN 81 8.778 1.974 -12.514 608 H GLY 82 H GLY 82 7.293 -3.154 -10.696 609 HA2 GLY 82 2HA GLY 82 8.402 -4.921 -11.449 610 HA3 GLY 82 1HA GLY 82 9.769 -3.888 -11.922 611 H TRP 83 H TRP 83 9.252 -3.346 -8.737 612 HA TRP 83 HA TRP 83 11.161 -5.383 -7.923 613 HB2 TRP 83 2HB TRP 83 12.246 -3.620 -6.989 614 HB3 TRP 83 1HB TRP 83 10.961 -2.558 -7.524 615 HD1 TRP 83 HD TRP 83 8.786 -2.541 -5.645 616 HE1 TRP 83 1HE TRP 83 9.005 -2.281 -3.083 617 HE3 TRP 83 3HE TRP 83 13.684 -3.867 -5.041 618 HZ2 TRP 83 2HZ TRP 83 10.856 -2.498 -1.186 619 HZ3 TRP 83 3HZ TRP 83 14.626 -3.794 -2.764 620 HH2 TRP 83 HH TRP 83 13.230 -3.117 -0.845 621 H ASP 84 H ASP 84 10.750 -6.608 -5.999 622 HA ASP 84 HA ASP 84 7.942 -7.019 -5.583 623 HB2 ASP 84 2HB ASP 84 8.580 -9.000 -4.252 624 HB3 ASP 84 1HB ASP 84 9.310 -9.022 -5.844 625 H MET 85 H MET 85 6.824 -5.982 -4.237 626 HA MET 85 HA MET 85 8.074 -4.524 -2.043 627 HB2 MET 85 2HB MET 85 6.514 -3.324 -3.516 628 HB3 MET 85 1HB MET 85 5.227 -4.440 -3.093 629 HG2 MET 85 2HG MET 85 4.948 -2.335 -1.928 630 HG3 MET 85 1HG MET 85 5.288 -3.626 -0.780 631 HE1 MET 85 3HE MET 85 6.536 -0.230 -2.334 632 HE2 MET 85 1HE MET 85 7.598 -1.387 -3.122 633 HE3 MET 85 2HE MET 85 8.250 -0.264 -1.934 634 H THR 86 H THR 86 6.577 -7.456 -2.486 635 HA THR 86 HA THR 86 5.421 -7.683 0.093 636 HB THR 86 HB THR 86 4.808 -9.278 -1.742 637 HG1 THR 86 1HG THR 86 4.938 -11.185 -0.458 638 HG21 THR 86 3HG2 THR 86 6.323 -11.133 -2.328 639 HG22 THR 86 1HG2 THR 86 7.570 -10.425 -1.298 640 HG23 THR 86 2HG2 THR 86 7.041 -9.574 -2.749 641 H MET 87 H MET 87 6.328 -8.312 1.967 642 HA MET 87 HA MET 87 7.888 -8.403 3.600 643 HB2 MET 87 2HB MET 87 8.004 -10.718 2.659 644 HB3 MET 87 1HB MET 87 9.322 -10.203 1.639 645 HG2 MET 87 2HG MET 87 10.723 -9.785 3.588 646 HG3 MET 87 1HG MET 87 9.388 -10.237 4.646 647 HE1 MET 87 3HE MET 87 11.885 -13.239 5.050 648 HE2 MET 87 1HE MET 87 10.945 -12.010 5.899 649 HE3 MET 87 2HE MET 87 12.273 -11.531 4.848 650 H VAL 88 H VAL 88 8.352 -6.110 3.260 651 HA VAL 88 HA VAL 88 11.197 -5.624 3.149 652 HB VAL 88 HB VAL 88 10.594 -5.260 0.757 653 HG11 VAL 88 1HG1 VAL 88 9.013 -3.508 0.130 654 HG12 VAL 88 2HG1 VAL 88 8.588 -3.309 1.830 655 HG13 VAL 88 3HG1 VAL 88 8.236 -4.822 1.011 656 HG21 VAL 88 3HG2 VAL 88 12.288 -3.801 1.746 657 HG22 VAL 88 1HG2 VAL 88 11.039 -2.675 2.256 658 HG23 VAL 88 2HG2 VAL 88 11.354 -2.914 0.549 659 H THR 89 H THR 89 11.779 -3.747 4.201 660 HA THR 89 HA THR 89 10.143 -3.188 6.362 661 HB THR 89 HB THR 89 12.138 -1.288 6.111 662 HG1 THR 89 1HG THR 89 13.393 -3.741 5.683 663 HG21 THR 89 3HG2 THR 89 11.928 -3.924 7.477 664 HG22 THR 89 1HG2 THR 89 11.411 -2.344 8.065 665 HG23 THR 89 2HG2 THR 89 13.154 -2.697 7.883 666 H HIS 90 H HIS 90 9.394 -1.281 6.970 667 HA HIS 90 HA HIS 90 7.981 0.296 5.143 668 HB2 HIS 90 2HB HIS 90 7.357 0.189 7.430 669 HB3 HIS 90 1HB HIS 90 8.811 0.861 8.044 670 HD1 HIS 90 1HD HIS 90 5.480 1.672 7.657 671 HD2 HIS 90 2HD HIS 90 8.922 3.760 6.646 672 HE1 HIS 90 1HE HIS 90 4.768 3.994 7.226 673 H ASP 91 H ASP 91 11.069 0.739 6.683 674 HA ASP 91 HA ASP 91 11.755 3.283 5.734 675 HB2 ASP 91 2HB ASP 91 12.893 2.000 7.540 676 HB3 ASP 91 1HB ASP 91 13.582 0.960 6.315 677 H GLN 92 H GLN 92 12.595 0.099 4.475 678 HA GLN 92 HA GLN 92 14.048 1.038 2.240 679 HB2 GLN 92 2HB GLN 92 13.202 -1.581 3.269 680 HB3 GLN 92 1HB GLN 92 13.352 -1.541 1.535 681 HG2 GLN 92 2HG GLN 92 15.426 -2.293 2.458 682 HG3 GLN 92 1HG GLN 92 15.673 -0.686 1.803 683 HE21 GLN 92 1HE2 GLN 92 14.260 -1.574 4.936 684 HE22 GLN 92 2HE2 GLN 92 15.478 -0.804 5.882 685 H ALA 93 H ALA 93 10.721 0.248 2.723 686 HA ALA 93 HA ALA 93 10.023 0.231 -0.046 687 HB1 ALA 93 1HB ALA 93 8.258 0.492 2.359 688 HB2 ALA 93 2HB ALA 93 8.826 -1.009 1.646 689 HB3 ALA 93 3HB ALA 93 7.763 0.055 0.717 690 H ARG 94 H ARG 94 9.897 2.542 2.566 691 HA ARG 94 HA ARG 94 8.346 4.537 1.383 692 HB2 ARG 94 2HB ARG 94 10.551 4.640 3.404 693 HB3 ARG 94 1HB ARG 94 9.872 6.161 2.846 694 HG2 ARG 94 2HG ARG 94 8.310 3.913 4.064 695 HG3 ARG 94 1HG ARG 94 8.954 5.289 4.957 696 HD2 ARG 94 2HD ARG 94 7.107 5.576 2.607 697 HD3 ARG 94 1HD ARG 94 6.523 5.456 4.274 698 HE ARG 94 HE ARG 94 8.488 7.451 4.084 699 HH11 ARG 94 1HH1 ARG 94 5.121 6.953 3.089 700 HH12 ARG 94 2HH1 ARG 94 4.710 8.602 3.210 701 HH21 ARG 94 1HH2 ARG 94 7.934 9.679 4.209 702 HH22 ARG 94 2HH2 ARG 94 6.358 10.193 3.833 703 H LYS 95 H LYS 95 11.706 3.909 1.061 704 HA LYS 95 HA LYS 95 12.143 6.153 -0.715 705 HB2 LYS 95 2HB LYS 95 13.913 4.046 0.493 706 HB3 LYS 95 1HB LYS 95 14.499 5.149 -0.745 707 HG2 LYS 95 2HG LYS 95 14.151 7.041 0.626 708 HG3 LYS 95 1HG LYS 95 13.185 6.121 1.771 709 HD2 LYS 95 2HD LYS 95 16.081 5.516 1.260 710 HD3 LYS 95 1HD LYS 95 15.570 6.697 2.465 711 HE2 LYS 95 2HE LYS 95 14.183 4.910 3.519 712 HE3 LYS 95 1HE LYS 95 14.855 3.766 2.369 713 HZ1 LYS 95 3HZ LYS 95 16.430 5.321 4.336 714 HZ2 LYS 95 1HZ LYS 95 17.028 4.150 3.267 715 HZ3 LYS 95 2HZ LYS 95 15.952 3.707 4.500 716 H ARG 96 H ARG 96 10.326 4.167 -1.493 717 HA ARG 96 HA ARG 96 11.489 3.411 -4.004 718 HB2 ARG 96 2HB ARG 96 11.743 1.421 -2.552 719 HB3 ARG 96 1HB ARG 96 10.016 1.430 -2.264 720 HG2 ARG 96 2HG ARG 96 10.570 -0.276 -3.872 721 HG3 ARG 96 1HG ARG 96 9.632 0.996 -4.655 722 HD2 ARG 96 2HD ARG 96 11.526 0.209 -6.028 723 HD3 ARG 96 1HD ARG 96 11.639 1.923 -5.640 724 HE ARG 96 HE ARG 96 13.131 0.921 -3.702 725 HH11 ARG 96 1HH1 ARG 96 13.149 -0.010 -7.134 726 HH12 ARG 96 2HH1 ARG 96 14.791 -0.435 -7.124 727 HH21 ARG 96 1HH2 ARG 96 15.339 0.346 -3.714 728 HH22 ARG 96 2HH2 ARG 96 16.070 -0.235 -5.146 729 H LEU 97 H LEU 97 8.602 3.500 -1.981 730 HA LEU 97 HA LEU 97 7.041 3.988 -4.388 731 HB2 LEU 97 2HB LEU 97 5.120 3.788 -2.737 732 HB3 LEU 97 1HB LEU 97 5.989 2.342 -3.260 733 HG LEU 97 HG LEU 97 7.277 2.529 -1.104 734 HD11 LEU 97 1HD1 LEU 97 5.091 4.474 -0.389 735 HD12 LEU 97 2HD1 LEU 97 6.804 4.851 -0.566 736 HD13 LEU 97 3HD1 LEU 97 6.268 3.774 0.725 737 HD21 LEU 97 3HD2 LEU 97 5.738 1.373 0.052 738 HD22 LEU 97 1HD2 LEU 97 5.344 1.050 -1.634 739 HD23 LEU 97 2HD2 LEU 97 4.371 2.216 -0.698 740 H THR 98 H THR 98 8.126 5.698 -1.635 741 HA THR 98 HA THR 98 6.610 7.923 -2.811 742 HB THR 98 HB THR 98 5.900 7.436 -0.459 743 HG1 THR 98 1HG THR 98 7.136 9.941 -0.903 744 HG21 THR 98 3HG2 THR 98 8.680 8.339 0.258 745 HG22 THR 98 1HG2 THR 98 8.000 6.725 0.459 746 HG23 THR 98 2HG2 THR 98 7.356 8.069 1.405 747 H LYS 99 H LYS 99 9.400 6.660 -3.218 748 HA LYS 99 HA LYS 99 11.223 8.788 -3.022 749 HB2 LYS 99 2HB LYS 99 12.458 7.711 -4.879 750 HB3 LYS 99 1HB LYS 99 11.950 6.536 -3.671 751 HG2 LYS 99 2HG LYS 99 10.402 5.576 -5.024 752 HG3 LYS 99 1HG LYS 99 10.234 6.990 -6.079 753 HD2 LYS 99 2HD LYS 99 11.408 5.237 -7.293 754 HD3 LYS 99 1HD LYS 99 12.541 6.530 -6.935 755 HE2 LYS 99 2HE LYS 99 13.284 5.166 -4.934 756 HE3 LYS 99 1HE LYS 99 12.245 3.898 -5.577 757 HZ1 LYS 99 3HZ LYS 99 13.554 3.759 -7.558 758 HZ2 LYS 99 1HZ LYS 99 14.582 3.618 -6.239 759 HZ3 LYS 99 2HZ LYS 99 14.510 5.054 -7.096 760 H ARG 100 H ARG 100 11.951 10.189 -4.856 761 HA ARG 100 HA ARG 100 9.588 11.082 -6.398 762 HB2 ARG 100 2HB ARG 100 10.580 13.355 -6.337 763 HB3 ARG 100 1HB ARG 100 10.172 12.736 -4.745 764 HG2 ARG 100 2HG ARG 100 12.438 12.305 -4.256 765 HG3 ARG 100 1HG ARG 100 12.926 12.623 -5.916 766 HD2 ARG 100 2HD ARG 100 12.097 14.966 -5.615 767 HD3 ARG 100 1HD ARG 100 11.822 14.589 -3.913 768 HE ARG 100 HE ARG 100 14.341 13.876 -4.213 769 HH11 ARG 100 1HH1 ARG 100 12.672 16.891 -5.100 770 HH12 ARG 100 2HH1 ARG 100 14.067 17.847 -5.050 771 HH21 ARG 100 1HH2 ARG 100 16.253 15.187 -4.137 772 HH22 ARG 100 2HH2 ARG 100 16.166 16.855 -4.482 773 H SER 101 H SER 101 12.194 9.435 -6.755 774 HA SER 101 HA SER 101 13.546 10.662 -8.952 775 HB2 SER 101 2HB SER 101 13.519 7.910 -7.838 776 HB3 SER 101 1HB SER 101 14.770 8.533 -8.936 777 HG SER 101 HG SER 101 15.079 10.156 -7.177 778 H GLU 102 H GLU 102 11.041 8.271 -8.460 779 HA GLU 102 HA GLU 102 10.930 7.803 -11.331 780 HB2 GLU 102 2HB GLU 102 11.221 5.798 -9.857 781 HB3 GLU 102 1HB GLU 102 9.661 6.157 -9.133 782 HG2 GLU 102 2HG GLU 102 9.547 4.390 -10.844 783 HG3 GLU 102 1HG GLU 102 8.542 5.788 -11.230 784 H GLU 103 H GLU 103 9.014 8.001 -12.407 785 HA GLU 103 HA GLU 103 7.167 9.894 -11.125 786 HB2 GLU 103 2HB GLU 103 6.440 10.292 -13.528 787 HB3 GLU 103 1HB GLU 103 8.027 10.940 -13.042 788 HG2 GLU 103 2HG GLU 103 8.935 8.846 -14.109 789 HG3 GLU 103 1HG GLU 103 7.327 8.546 -14.686 790 H VAL 104 H VAL 104 7.047 7.221 -13.421 791 HA VAL 104 HA VAL 104 4.526 6.576 -12.244 792 HB VAL 104 HB VAL 104 3.893 7.386 -14.296 793 HG11 VAL 104 1HG1 VAL 104 4.705 6.689 -16.405 794 HG12 VAL 104 2HG1 VAL 104 6.100 5.886 -15.619 795 HG13 VAL 104 3HG1 VAL 104 5.823 7.652 -15.459 796 HG21 VAL 104 3HG2 VAL 104 2.850 5.257 -13.785 797 HG22 VAL 104 1HG2 VAL 104 4.084 4.421 -14.715 798 HG23 VAL 104 2HG2 VAL 104 2.956 5.507 -15.536 799 H VAL 105 H VAL 105 4.101 4.703 -11.605 800 HA VAL 105 HA VAL 105 6.158 2.617 -11.864 801 HB VAL 105 HB VAL 105 5.661 2.071 -9.466 802 HG11 VAL 105 1HG1 VAL 105 6.971 3.904 -8.507 803 HG12 VAL 105 2HG1 VAL 105 6.668 4.881 -9.941 804 HG13 VAL 105 3HG1 VAL 105 7.637 3.414 -10.064 805 HG21 VAL 105 3HG2 VAL 105 4.230 4.719 -9.531 806 HG22 VAL 105 1HG2 VAL 105 4.552 3.743 -8.100 807 HG23 VAL 105 2HG2 VAL 105 3.464 3.136 -9.354 808 H ARG 106 H ARG 106 5.367 0.515 -11.966 809 HA ARG 106 HA ARG 106 2.463 0.199 -12.112 810 HB2 ARG 106 2HB ARG 106 4.692 -1.706 -12.866 811 HB3 ARG 106 1HB ARG 106 2.972 -1.994 -13.055 812 HG2 ARG 106 2HG ARG 106 2.764 -0.291 -14.677 813 HG3 ARG 106 1HG ARG 106 4.408 0.262 -14.367 814 HD2 ARG 106 2HD ARG 106 4.210 -1.088 -16.426 815 HD3 ARG 106 1HD ARG 106 5.334 -1.763 -15.255 816 HE ARG 106 HE ARG 106 3.061 -3.048 -14.680 817 HH11 ARG 106 1HH1 ARG 106 4.646 -2.478 -17.804 818 HH12 ARG 106 2HH1 ARG 106 4.284 -4.022 -18.424 819 HH21 ARG 106 1HH2 ARG 106 2.522 -5.177 -15.591 820 HH22 ARG 106 2HH2 ARG 106 3.058 -5.578 -17.150 821 H LEU 107 H LEU 107 1.505 -0.412 -10.286 822 HA LEU 107 HA LEU 107 3.020 -1.978 -8.315 823 HB2 LEU 107 2HB LEU 107 0.517 -0.461 -7.847 824 HB3 LEU 107 1HB LEU 107 1.709 -0.966 -6.672 825 HG LEU 107 HG LEU 107 1.978 1.279 -8.663 826 HD11 LEU 107 1HD1 LEU 107 2.017 2.663 -6.651 827 HD12 LEU 107 2HD1 LEU 107 1.653 1.227 -5.683 828 HD13 LEU 107 3HD1 LEU 107 0.497 1.804 -6.890 829 HD21 LEU 107 3HD2 LEU 107 3.869 0.481 -6.488 830 HD22 LEU 107 1HD2 LEU 107 4.062 1.793 -7.632 831 HD23 LEU 107 2HD2 LEU 107 4.120 0.127 -8.208 832 H LEU 108 H LEU 108 1.775 -3.554 -7.230 833 HA LEU 108 HA LEU 108 -0.870 -4.224 -8.264 834 HB2 LEU 108 2HB LEU 108 1.475 -5.813 -8.594 835 HB3 LEU 108 1HB LEU 108 0.348 -6.678 -7.544 836 HG LEU 108 HG LEU 108 -1.333 -6.200 -9.461 837 HD11 LEU 108 1HD1 LEU 108 0.013 -4.576 -10.655 838 HD12 LEU 108 2HD1 LEU 108 -0.345 -5.972 -11.673 839 HD13 LEU 108 3HD1 LEU 108 1.252 -5.800 -10.945 840 HD21 LEU 108 3HD2 LEU 108 0.961 -8.107 -9.911 841 HD22 LEU 108 1HD2 LEU 108 -0.620 -8.199 -10.685 842 HD23 LEU 108 2HD2 LEU 108 -0.472 -8.429 -8.939 843 H VAL 109 H VAL 109 -2.235 -4.424 -6.689 844 HA VAL 109 HA VAL 109 -1.211 -4.915 -3.972 845 HB VAL 109 HB VAL 109 -2.908 -3.431 -3.052 846 HG11 VAL 109 1HG1 VAL 109 -1.305 -2.025 -5.176 847 HG12 VAL 109 2HG1 VAL 109 -0.742 -2.466 -3.565 848 HG13 VAL 109 3HG1 VAL 109 -2.022 -1.269 -3.753 849 HG21 VAL 109 3HG2 VAL 109 -4.636 -3.666 -4.758 850 HG22 VAL 109 1HG2 VAL 109 -3.637 -2.770 -5.896 851 HG23 VAL 109 2HG2 VAL 109 -4.276 -1.966 -4.460 852 H THR 110 H THR 110 -2.837 -5.862 -2.503 853 HA THR 110 HA THR 110 -4.634 -7.543 -4.059 854 HB THR 110 HB THR 110 -4.393 -9.199 -2.259 855 HG1 THR 110 1HG THR 110 -2.415 -8.648 -0.820 856 HG21 THR 110 3HG2 THR 110 -1.711 -8.270 -3.286 857 HG22 THR 110 1HG2 THR 110 -2.895 -9.142 -4.250 858 HG23 THR 110 2HG2 THR 110 -2.164 -9.921 -2.842 859 H ARG 111 H ARG 111 -6.704 -7.631 -3.549 860 HA ARG 111 HA ARG 111 -7.857 -5.773 -1.661 861 HB2 ARG 111 2HB ARG 111 -9.113 -7.856 -3.479 862 HB3 ARG 111 1HB ARG 111 -10.043 -6.745 -2.484 863 HG2 ARG 111 2HG ARG 111 -8.099 -5.852 -4.607 864 HG3 ARG 111 1HG ARG 111 -9.828 -6.088 -4.888 865 HD2 ARG 111 2HD ARG 111 -10.429 -4.337 -3.557 866 HD3 ARG 111 1HD ARG 111 -8.939 -4.374 -2.621 867 HE ARG 111 HE ARG 111 -8.980 -3.514 -5.426 868 HH11 ARG 111 1HH1 ARG 111 -8.636 -2.740 -2.009 869 HH12 ARG 111 2HH1 ARG 111 -7.513 -1.496 -2.228 870 HH21 ARG 111 1HH2 ARG 111 -7.498 -1.584 -5.754 871 HH22 ARG 111 2HH2 ARG 111 -6.862 -0.850 -4.337 872 H GLN 112 H GLN 112 -7.403 -6.381 0.354 873 HA GLN 112 HA GLN 112 -7.777 -9.161 1.152 874 HB2 GLN 112 2HB GLN 112 -6.664 -6.814 2.673 875 HB3 GLN 112 1HB GLN 112 -6.688 -8.478 3.234 876 HG2 GLN 112 2HG GLN 112 -5.260 -7.453 0.814 877 HG3 GLN 112 1HG GLN 112 -4.495 -7.855 2.353 878 HE21 GLN 112 1HE2 GLN 112 -5.882 -9.038 -0.537 879 HE22 GLN 112 2HE2 GLN 112 -5.425 -10.698 -0.368 880 H SER 113 H SER 113 -9.406 -6.234 1.146 881 HA SER 113 HA SER 113 -11.059 -6.780 3.406 882 HB2 SER 113 2HB SER 113 -12.188 -4.683 2.452 883 HB3 SER 113 1HB SER 113 -10.524 -4.507 3.016 884 HG SER 113 HG SER 113 -10.968 -3.588 0.915 885 H LEU 114 H LEU 114 -10.869 -8.567 1.067 886 HA LEU 114 HA LEU 114 -13.721 -8.891 0.680 887 HB2 LEU 114 2HB LEU 114 -12.940 -7.725 -1.349 888 HB3 LEU 114 1HB LEU 114 -11.776 -9.005 -1.627 889 HG LEU 114 HG LEU 114 -13.641 -10.608 -1.929 890 HD11 LEU 114 1HD1 LEU 114 -15.916 -9.756 -2.255 891 HD12 LEU 114 2HD1 LEU 114 -15.386 -8.161 -1.720 892 HD13 LEU 114 3HD1 LEU 114 -15.348 -9.526 -0.602 893 HD21 LEU 114 3HD2 LEU 114 -14.351 -9.784 -4.122 894 HD22 LEU 114 1HD2 LEU 114 -12.624 -9.543 -3.859 895 HD23 LEU 114 2HD2 LEU 114 -13.736 -8.182 -3.709 896 H GLN 115 H GLN 115 -13.368 -10.438 2.233 897 HA GLN 115 HA GLN 115 -12.890 -13.035 1.041 898 HB2 GLN 115 2HB GLN 115 -11.652 -13.831 3.028 899 HB3 GLN 115 1HB GLN 115 -10.749 -12.669 2.037 900 HG2 GLN 115 2HG GLN 115 -11.081 -10.975 3.699 901 HG3 GLN 115 1HG GLN 115 -12.177 -12.014 4.608 902 HE21 GLN 115 1HE2 GLN 115 -10.911 -11.900 6.457 903 HE22 GLN 115 2HE2 GLN 115 -9.421 -12.737 6.607 904 H LYS 116 H LYS 116 -13.814 -11.167 3.729 905 HA LYS 116 HA LYS 116 -15.693 -11.004 4.954 906 HB2 LYS 116 2HB LYS 116 -16.594 -13.442 3.454 907 HB3 LYS 116 1HB LYS 116 -17.597 -12.608 4.630 908 HG2 LYS 116 2HG LYS 116 -17.686 -10.652 3.226 909 HG3 LYS 116 1HG LYS 116 -16.509 -11.350 2.116 910 HD2 LYS 116 2HD LYS 116 -19.143 -12.696 2.675 911 HD3 LYS 116 1HD LYS 116 -18.994 -11.438 1.453 912 HE2 LYS 116 2HE LYS 116 -18.837 -13.656 0.430 913 HE3 LYS 116 1HE LYS 116 -17.324 -12.783 0.260 914 HZ1 LYS 116 3HZ LYS 116 -17.093 -15.133 0.811 915 HZ2 LYS 116 1HZ LYS 116 -17.803 -14.912 2.311 916 HZ3 LYS 116 2HZ LYS 116 -16.313 -14.184 1.921 917 H ALA 117 H ALA 117 -17.014 -12.643 6.537 918 HA ALA 117 HA ALA 117 -14.971 -14.368 7.727 919 HB1 ALA 117 1HB ALA 117 -15.178 -12.291 9.017 920 HB2 ALA 117 2HB ALA 117 -15.791 -13.670 9.931 921 HB3 ALA 117 3HB ALA 117 -16.916 -12.557 9.159 922 H VAL 118 H VAL 118 -16.204 -15.777 9.461 923 HA VAL 118 HA VAL 118 -18.808 -16.530 8.517 924 HB VAL 118 HB VAL 118 -16.614 -18.621 8.920 925 HG11 VAL 118 1HG1 VAL 118 -18.819 -19.413 9.565 926 HG12 VAL 118 2HG1 VAL 118 -18.271 -20.237 8.108 927 HG13 VAL 118 3HG1 VAL 118 -19.467 -18.949 7.993 928 HG21 VAL 118 3HG2 VAL 118 -16.246 -17.456 6.789 929 HG22 VAL 118 1HG2 VAL 118 -17.917 -17.771 6.320 930 HG23 VAL 118 2HG2 VAL 118 -16.787 -19.111 6.510 931 H GLN 119 H GLN 119 -19.066 -15.300 10.468 932 HA GLN 119 HA GLN 119 -18.239 -16.654 12.842 933 HB2 GLN 119 2HB GLN 119 -19.399 -14.922 14.156 934 HB3 GLN 119 1HB GLN 119 -18.314 -14.224 12.978 935 HG2 GLN 119 2HG GLN 119 -20.226 -13.673 11.548 936 HG3 GLN 119 1HG GLN 119 -21.314 -14.385 12.740 937 HE21 GLN 119 1HE2 GLN 119 -19.269 -11.720 11.990 938 HE22 GLN 119 2HE2 GLN 119 -19.768 -10.679 13.255 939 H GLN 120 H GLN 120 -18.987 -18.560 12.822 940 HA GLN 120 HA GLN 120 -21.628 -19.255 12.153 941 HB2 GLN 120 2HB GLN 120 -20.969 -21.566 12.954 942 HB3 GLN 120 1HB GLN 120 -20.012 -20.878 11.661 943 HG2 GLN 120 2HG GLN 120 -18.479 -21.954 13.092 944 HG3 GLN 120 1HG GLN 120 -18.301 -20.241 13.426 945 HE21 GLN 120 1HE2 GLN 120 -20.876 -22.331 14.639 946 HE22 GLN 120 2HE2 GLN 120 -20.407 -22.226 16.288 947 H SER 121 H SER 121 -20.282 -18.201 15.025 948 HA SER 121 HA SER 121 -22.050 -19.404 16.857 949 HB2 SER 121 2HB SER 121 -20.604 -16.764 17.087 950 HB3 SER 121 1HB SER 121 -21.133 -17.807 18.410 951 HG SER 121 HG SER 121 -19.710 -19.371 17.693 952 H MET 122 H MET 122 -21.913 -16.093 15.573 953 HA MET 122 HA MET 122 -23.398 -14.592 14.923 954 HB2 MET 122 2HB MET 122 -24.352 -16.442 13.568 955 HB3 MET 122 1HB MET 122 -25.428 -16.841 14.893 956 HG2 MET 122 2HG MET 122 -26.601 -15.572 13.195 957 HG3 MET 122 1HG MET 122 -26.482 -14.652 14.689 958 HE1 MET 122 3HE MET 122 -27.124 -12.423 13.451 959 HE2 MET 122 1HE MET 122 -27.285 -13.326 11.943 960 HE3 MET 122 2HE MET 122 -26.323 -11.848 11.990 961 H LEU 123 H LEU 123 -23.818 -16.208 17.843 962 HA LEU 123 HA LEU 123 -25.873 -14.360 18.764 963 HB2 LEU 123 2HB LEU 123 -24.555 -16.641 20.238 964 HB3 LEU 123 1HB LEU 123 -25.921 -15.703 20.799 965 HG LEU 123 HG LEU 123 -25.876 -17.602 18.463 966 HD11 LEU 123 1HD1 LEU 123 -27.265 -17.736 21.127 967 HD12 LEU 123 2HD1 LEU 123 -25.883 -18.706 20.620 968 HD13 LEU 123 3HD1 LEU 123 -27.443 -18.901 19.815 969 HD21 LEU 123 3HD2 LEU 123 -28.295 -17.167 18.321 970 HD22 LEU 123 1HD2 LEU 123 -27.337 -15.731 17.959 971 HD23 LEU 123 2HD2 LEU 123 -28.116 -15.893 19.531 972 H SER 124 H SER 124 -22.686 -14.226 18.373 973 HA SER 124 HA SER 124 -22.403 -12.263 20.477 974 HB2 SER 124 2HB SER 124 -21.381 -14.461 21.255 975 HB3 SER 124 1HB SER 124 -20.289 -14.374 19.878 976 HG SER 124 HG SER 124 -19.394 -12.500 20.751 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 2.804 -13.481 -24.358 2 H2 GLY 1 2HT GLY 1 2.657 -15.128 -24.632 3 H3 GLY 1 3HT GLY 1 4.184 -14.435 -24.273 4 HA2 GLY 1 1HA GLY 1 3.251 -15.555 -22.333 5 HA3 GLY 1 2HA GLY 1 3.428 -13.822 -22.095 6 H SER 2 H SER 2 1.689 -15.181 -20.551 7 HA SER 2 HA SER 2 -0.931 -14.472 -21.664 8 HB2 SER 2 2HB SER 2 -0.544 -16.936 -21.406 9 HB3 SER 2 1HB SER 2 -0.271 -16.685 -19.690 10 HG SER 2 HG SER 2 -2.615 -15.987 -21.076 11 H TYR 3 H TYR 3 1.422 -13.576 -19.510 12 HA TYR 3 HA TYR 3 1.637 -12.358 -17.725 13 HB2 TYR 3 2HB TYR 3 0.113 -10.723 -18.664 14 HB3 TYR 3 1HB TYR 3 -1.283 -11.659 -18.142 15 HD1 TYR 3 2HD TYR 3 1.761 -10.097 -16.696 16 HD2 TYR 3 1HD TYR 3 -2.355 -10.980 -16.210 17 HE1 TYR 3 2HE TYR 3 1.756 -8.867 -14.549 18 HE2 TYR 3 1HE TYR 3 -2.388 -9.770 -14.074 19 HH TYR 3 HH TYR 3 0.166 -7.748 -13.115 20 H ILE 4 H ILE 4 -1.578 -13.696 -17.255 21 HA ILE 4 HA ILE 4 -2.528 -14.914 -15.654 22 HB ILE 4 HB ILE 4 0.284 -15.903 -15.043 23 HG12 ILE 4 2HG1 ILE 4 -1.859 -17.080 -16.830 24 HG13 ILE 4 1HG1 ILE 4 -0.426 -16.233 -17.394 25 HG21 ILE 4 1HG2 ILE 4 -0.825 -17.849 -14.046 26 HG22 ILE 4 2HG2 ILE 4 -2.400 -17.148 -14.409 27 HG23 ILE 4 3HG2 ILE 4 -1.344 -16.366 -13.235 28 HD11 ILE 4 3HD1 ILE 4 -0.159 -18.620 -17.584 29 HD12 ILE 4 1HD1 ILE 4 -0.478 -18.818 -15.861 30 HD13 ILE 4 2HD1 ILE 4 0.970 -17.968 -16.397 31 HA PRO 5 HA PRO 5 -1.846 -11.855 -12.428 32 HB2 PRO 5 2HB PRO 5 -4.340 -12.022 -11.433 33 HB3 PRO 5 1HB PRO 5 -3.904 -10.924 -12.757 34 HG2 PRO 5 2HG PRO 5 -5.323 -13.549 -12.846 35 HG3 PRO 5 1HG PRO 5 -5.514 -12.134 -13.895 36 HD2 PRO 5 2HD PRO 5 -4.152 -14.393 -14.597 37 HD3 PRO 5 1HD PRO 5 -3.816 -12.788 -15.285 38 H GLY 6 H GLY 6 -1.755 -12.017 -10.230 39 HA2 GLY 6 2HA GLY 6 -1.416 -14.703 -9.201 40 HA3 GLY 6 1HA GLY 6 -1.003 -13.177 -8.426 41 H GLN 7 H GLN 7 -4.144 -14.111 -9.660 42 HA GLN 7 HA GLN 7 -5.312 -13.529 -7.077 43 HB2 GLN 7 2HB GLN 7 -6.519 -12.759 -9.038 44 HB3 GLN 7 1HB GLN 7 -6.647 -14.413 -9.665 45 HG2 GLN 7 2HG GLN 7 -8.029 -14.956 -7.664 46 HG3 GLN 7 1HG GLN 7 -7.938 -13.267 -7.187 47 HE21 GLN 7 1HE2 GLN 7 -8.213 -12.366 -10.041 48 HE22 GLN 7 2HE2 GLN 7 -9.863 -12.599 -10.410 49 HA PRO 8 HA PRO 8 -5.163 -17.835 -6.055 50 HB2 PRO 8 2HB PRO 8 -6.187 -17.633 -3.564 51 HB3 PRO 8 1HB PRO 8 -4.545 -17.112 -3.935 52 HG2 PRO 8 2HG PRO 8 -6.990 -15.451 -3.524 53 HG3 PRO 8 1HG PRO 8 -5.308 -15.094 -3.125 54 HD2 PRO 8 2HD PRO 8 -6.677 -14.140 -5.387 55 HD3 PRO 8 1HD PRO 8 -4.930 -14.177 -5.094 56 H VAL 9 H VAL 9 -7.896 -16.888 -4.137 57 HA VAL 9 HA VAL 9 -9.779 -17.848 -6.103 58 HB VAL 9 HB VAL 9 -11.047 -19.112 -4.241 59 HG11 VAL 9 1HG1 VAL 9 -9.879 -20.259 -6.042 60 HG12 VAL 9 2HG1 VAL 9 -9.730 -21.153 -4.529 61 HG13 VAL 9 3HG1 VAL 9 -8.376 -20.188 -5.126 62 HG21 VAL 9 3HG2 VAL 9 -9.830 -18.271 -2.289 63 HG22 VAL 9 1HG2 VAL 9 -8.334 -18.977 -2.908 64 HG23 VAL 9 2HG2 VAL 9 -9.661 -20.020 -2.410 65 H THR 10 H THR 10 -9.640 -16.523 -2.786 66 HA THR 10 HA THR 10 -12.078 -15.074 -3.337 67 HB THR 10 HB THR 10 -12.061 -16.097 -1.185 68 HG1 THR 10 1HG THR 10 -12.998 -14.363 -0.559 69 HG21 THR 10 3HG2 THR 10 -9.404 -14.739 -0.751 70 HG22 THR 10 1HG2 THR 10 -9.714 -16.458 -0.844 71 HG23 THR 10 2HG2 THR 10 -10.305 -15.533 0.549 72 H ALA 11 H ALA 11 -8.754 -14.311 -2.408 73 HA ALA 11 HA ALA 11 -9.146 -11.532 -2.269 74 HB1 ALA 11 1HB ALA 11 -6.745 -11.408 -2.086 75 HB2 ALA 11 2HB ALA 11 -6.600 -13.092 -2.586 76 HB3 ALA 11 3HB ALA 11 -7.381 -12.690 -1.056 77 H VAL 12 H VAL 12 -8.653 -9.972 -3.661 78 HA VAL 12 HA VAL 12 -8.298 -10.861 -6.413 79 HB VAL 12 HB VAL 12 -10.468 -9.744 -6.015 80 HG11 VAL 12 1HG1 VAL 12 -9.920 -8.293 -4.171 81 HG12 VAL 12 2HG1 VAL 12 -10.606 -7.348 -5.492 82 HG13 VAL 12 3HG1 VAL 12 -8.867 -7.330 -5.206 83 HG21 VAL 12 3HG2 VAL 12 -9.486 -9.532 -8.228 84 HG22 VAL 12 1HG2 VAL 12 -8.587 -8.103 -7.714 85 HG23 VAL 12 2HG2 VAL 12 -10.345 -8.050 -7.807 86 H VAL 13 H VAL 13 -6.609 -10.184 -7.492 87 HA VAL 13 HA VAL 13 -4.832 -8.249 -6.229 88 HB VAL 13 HB VAL 13 -3.830 -10.472 -6.789 89 HG11 VAL 13 1HG1 VAL 13 -4.460 -9.775 -9.646 90 HG12 VAL 13 2HG1 VAL 13 -5.172 -11.078 -8.691 91 HG13 VAL 13 3HG1 VAL 13 -3.460 -11.130 -9.115 92 HG21 VAL 13 3HG2 VAL 13 -2.391 -8.519 -6.757 93 HG22 VAL 13 1HG2 VAL 13 -2.743 -8.203 -8.457 94 HG23 VAL 13 2HG2 VAL 13 -1.847 -9.655 -7.994 95 H GLN 14 H GLN 14 -4.311 -6.415 -7.363 96 HA GLN 14 HA GLN 14 -5.313 -6.140 -10.042 97 HB2 GLN 14 2HB GLN 14 -6.629 -4.104 -9.546 98 HB3 GLN 14 1HB GLN 14 -7.288 -5.528 -8.759 99 HG2 GLN 14 2HG GLN 14 -7.375 -4.252 -6.929 100 HG3 GLN 14 1HG GLN 14 -5.624 -4.476 -6.848 101 HE21 GLN 14 1HE2 GLN 14 -4.300 -2.885 -7.666 102 HE22 GLN 14 2HE2 GLN 14 -4.855 -1.258 -7.782 103 H ARG 15 H ARG 15 -4.476 -4.334 -11.123 104 HA ARG 15 HA ARG 15 -1.841 -3.751 -10.038 105 HB2 ARG 15 2HB ARG 15 -1.140 -3.403 -12.378 106 HB3 ARG 15 1HB ARG 15 -1.838 -4.992 -12.140 107 HG2 ARG 15 2HG ARG 15 -2.950 -4.508 -14.041 108 HG3 ARG 15 1HG ARG 15 -4.007 -3.596 -12.961 109 HD2 ARG 15 2HD ARG 15 -3.412 -2.204 -14.821 110 HD3 ARG 15 1HD ARG 15 -2.610 -1.598 -13.363 111 HE ARG 15 HE ARG 15 -1.013 -3.456 -14.788 112 HH11 ARG 15 1HH1 ARG 15 -1.945 -0.051 -14.786 113 HH12 ARG 15 2HH1 ARG 15 -0.520 0.454 -15.594 114 HH21 ARG 15 1HH2 ARG 15 0.855 -2.757 -15.959 115 HH22 ARG 15 2HH2 ARG 15 1.017 -1.107 -16.360 116 H VAL 16 H VAL 16 -1.067 -1.610 -10.046 117 HA VAL 16 HA VAL 16 -3.091 0.466 -10.584 118 HB VAL 16 HB VAL 16 -1.058 1.190 -8.621 119 HG11 VAL 16 1HG1 VAL 16 -3.990 1.541 -8.521 120 HG12 VAL 16 2HG1 VAL 16 -2.818 2.535 -9.369 121 HG13 VAL 16 3HG1 VAL 16 -2.726 2.420 -7.629 122 HG21 VAL 16 3HG2 VAL 16 -2.149 0.116 -6.672 123 HG22 VAL 16 1HG2 VAL 16 -1.375 -1.055 -7.741 124 HG23 VAL 16 2HG2 VAL 16 -3.114 -0.860 -7.788 125 H GLU 17 H GLU 17 -2.167 2.432 -11.311 126 HA GLU 17 HA GLU 17 0.686 2.416 -11.694 127 HB2 GLU 17 2HB GLU 17 -0.287 1.485 -13.769 128 HB3 GLU 17 1HB GLU 17 -1.241 2.948 -13.950 129 HG2 GLU 17 2HG GLU 17 0.668 4.262 -14.333 130 HG3 GLU 17 1HG GLU 17 1.745 2.960 -13.824 131 H ILE 18 H ILE 18 1.203 3.958 -10.535 132 HA ILE 18 HA ILE 18 -0.429 6.356 -10.415 133 HB ILE 18 HB ILE 18 1.841 5.348 -8.728 134 HG12 ILE 18 2HG1 ILE 18 0.270 6.311 -6.881 135 HG13 ILE 18 1HG1 ILE 18 -0.879 6.456 -8.206 136 HG21 ILE 18 1HG2 ILE 18 1.098 8.258 -8.871 137 HG22 ILE 18 2HG2 ILE 18 2.640 7.533 -9.296 138 HG23 ILE 18 3HG2 ILE 18 2.090 7.519 -7.611 139 HD11 ILE 18 3HD1 ILE 18 0.366 3.896 -7.315 140 HD12 ILE 18 1HD1 ILE 18 -0.918 4.088 -8.519 141 HD13 ILE 18 2HD1 ILE 18 -1.202 4.489 -6.810 142 H HIS 19 H HIS 19 -0.127 7.971 -11.576 143 HA HIS 19 HA HIS 19 2.284 8.128 -13.173 144 HB2 HIS 19 2HB HIS 19 -0.282 9.654 -13.280 145 HB3 HIS 19 1HB HIS 19 1.046 9.880 -14.429 146 HD1 HIS 19 1HD HIS 19 -1.746 9.163 -15.486 147 HD2 HIS 19 2HD HIS 19 1.088 6.384 -14.343 148 HE1 HIS 19 1HE HIS 19 -2.403 7.023 -16.634 149 H LYS 20 H LYS 20 3.596 9.839 -13.149 150 HA LYS 20 HA LYS 20 4.577 11.084 -11.070 151 HB2 LYS 20 2HB LYS 20 5.513 12.823 -12.492 152 HB3 LYS 20 1HB LYS 20 5.484 11.277 -13.311 153 HG2 LYS 20 2HG LYS 20 3.480 13.467 -13.810 154 HG3 LYS 20 1HG LYS 20 4.955 13.261 -14.738 155 HD2 LYS 20 2HD LYS 20 4.161 11.027 -15.448 156 HD3 LYS 20 1HD LYS 20 2.684 11.280 -14.518 157 HE2 LYS 20 2HE LYS 20 2.142 13.223 -15.874 158 HE3 LYS 20 1HE LYS 20 3.625 13.013 -16.801 159 HZ1 LYS 20 3HZ LYS 20 1.304 11.151 -16.721 160 HZ2 LYS 20 1HZ LYS 20 2.755 10.842 -17.525 161 HZ3 LYS 20 2HZ LYS 20 1.782 12.130 -17.999 162 H LEU 21 H LEU 21 3.786 12.094 -9.419 163 HA LEU 21 HA LEU 21 1.980 14.334 -9.914 164 HB2 LEU 21 2HB LEU 21 0.833 12.614 -8.688 165 HB3 LEU 21 1HB LEU 21 2.160 12.515 -7.546 166 HG LEU 21 HG LEU 21 1.681 14.917 -6.933 167 HD11 LEU 21 1HD1 LEU 21 -0.529 15.815 -7.431 168 HD12 LEU 21 2HD1 LEU 21 -0.808 14.459 -8.526 169 HD13 LEU 21 3HD1 LEU 21 0.480 15.617 -8.864 170 HD21 LEU 21 3HD2 LEU 21 -0.583 13.005 -6.434 171 HD22 LEU 21 1HD2 LEU 21 -0.159 14.404 -5.462 172 HD23 LEU 21 2HD2 LEU 21 0.940 13.020 -5.543 173 H ARG 22 H ARG 22 2.901 16.150 -9.556 174 HA ARG 22 HA ARG 22 5.262 16.255 -7.869 175 HB2 ARG 22 2HB ARG 22 4.128 18.375 -9.725 176 HB3 ARG 22 1HB ARG 22 5.601 18.510 -8.791 177 HG2 ARG 22 2HG ARG 22 6.275 18.095 -11.009 178 HG3 ARG 22 1HG ARG 22 6.486 16.562 -10.171 179 HD2 ARG 22 2HD ARG 22 4.404 15.733 -11.101 180 HD3 ARG 22 1HD ARG 22 4.089 17.303 -11.840 181 HE ARG 22 HE ARG 22 6.529 15.959 -12.605 182 HH11 ARG 22 1HH1 ARG 22 3.134 16.625 -13.384 183 HH12 ARG 22 2HH1 ARG 22 3.299 16.384 -15.058 184 HH21 ARG 22 1HH2 ARG 22 6.785 15.609 -14.927 185 HH22 ARG 22 2HH2 ARG 22 5.455 15.808 -15.966 186 H GLN 23 H GLN 23 4.917 16.820 -5.864 187 HA GLN 23 HA GLN 23 2.643 18.571 -5.307 188 HB2 GLN 23 2HB GLN 23 4.047 16.603 -3.505 189 HB3 GLN 23 1HB GLN 23 2.852 17.762 -2.929 190 HG2 GLN 23 2HG GLN 23 1.247 16.647 -4.585 191 HG3 GLN 23 1HG GLN 23 2.505 15.407 -4.725 192 HE21 GLN 23 1HE2 GLN 23 1.062 13.884 -3.898 193 HE22 GLN 23 2HE2 GLN 23 0.689 13.794 -2.209 194 H GLY 24 H GLY 24 3.381 20.528 -5.257 195 HA2 GLY 24 2HA GLY 24 4.663 22.340 -4.691 196 HA3 GLY 24 1HA GLY 24 5.367 21.341 -3.432 197 H GLU 25 H GLU 25 7.370 20.641 -3.665 198 HA GLU 25 HA GLU 25 8.671 21.174 -6.229 199 HB2 GLU 25 2HB GLU 25 9.812 21.044 -3.476 200 HB3 GLU 25 1HB GLU 25 10.795 21.159 -4.926 201 HG2 GLU 25 2HG GLU 25 9.709 23.303 -5.432 202 HG3 GLU 25 1HG GLU 25 8.810 23.167 -3.917 203 H ASN 26 H ASN 26 7.461 18.697 -4.611 204 HA ASN 26 HA ASN 26 9.736 16.865 -5.144 205 HB2 ASN 26 2HB ASN 26 7.514 15.887 -3.453 206 HB3 ASN 26 1HB ASN 26 9.244 15.653 -3.269 207 HD21 ASN 26 1HD2 ASN 26 6.556 17.600 -2.605 208 HD22 ASN 26 2HD2 ASN 26 7.244 18.661 -1.457 209 H LEU 27 H LEU 27 9.025 14.669 -5.641 210 HA LEU 27 HA LEU 27 6.577 14.604 -7.232 211 HB2 LEU 27 2HB LEU 27 8.829 14.406 -8.459 212 HB3 LEU 27 1HB LEU 27 9.127 12.966 -7.529 213 HG LEU 27 HG LEU 27 8.483 12.444 -9.822 214 HD11 LEU 27 1HD1 LEU 27 6.634 10.874 -9.438 215 HD12 LEU 27 2HD1 LEU 27 6.393 11.591 -7.844 216 HD13 LEU 27 3HD1 LEU 27 7.907 10.774 -8.223 217 HD21 LEU 27 3HD2 LEU 27 7.127 14.372 -10.319 218 HD22 LEU 27 1HD2 LEU 27 5.890 13.823 -9.189 219 HD23 LEU 27 2HD2 LEU 27 6.231 12.886 -10.638 220 H ILE 28 H ILE 28 5.127 13.290 -6.229 221 HA ILE 28 HA ILE 28 6.205 11.132 -4.577 222 HB ILE 28 HB ILE 28 3.645 12.280 -3.607 223 HG12 ILE 28 2HG1 ILE 28 6.256 13.841 -3.282 224 HG13 ILE 28 1HG1 ILE 28 4.768 14.390 -4.003 225 HG21 ILE 28 1HG2 ILE 28 4.648 11.787 -1.441 226 HG22 ILE 28 2HG2 ILE 28 6.174 11.417 -2.230 227 HG23 ILE 28 3HG2 ILE 28 4.757 10.399 -2.529 228 HD11 ILE 28 3HD1 ILE 28 3.643 14.338 -1.913 229 HD12 ILE 28 1HD1 ILE 28 5.103 15.326 -1.811 230 HD13 ILE 28 2HD1 ILE 28 5.089 13.694 -1.114 231 H LEU 29 H LEU 29 4.731 9.360 -4.431 232 HA LEU 29 HA LEU 29 3.084 9.068 -6.761 233 HB2 LEU 29 2HB LEU 29 3.917 7.283 -4.495 234 HB3 LEU 29 1HB LEU 29 2.671 6.792 -5.618 235 HG LEU 29 HG LEU 29 4.277 6.825 -7.457 236 HD11 LEU 29 1HD1 LEU 29 6.365 7.577 -5.414 237 HD12 LEU 29 2HD1 LEU 29 5.778 8.613 -6.712 238 HD13 LEU 29 3HD1 LEU 29 6.672 7.141 -7.096 239 HD21 LEU 29 3HD2 LEU 29 5.739 4.988 -6.652 240 HD22 LEU 29 1HD2 LEU 29 4.021 4.772 -6.284 241 HD23 LEU 29 2HD2 LEU 29 5.133 5.304 -5.028 242 H GLY 30 H GLY 30 2.645 10.526 -3.985 243 HA2 GLY 30 2HA GLY 30 0.645 11.578 -3.368 244 HA3 GLY 30 1HA GLY 30 -0.192 10.361 -4.295 245 H PHE 31 H PHE 31 0.767 8.018 -3.072 246 HA PHE 31 HA PHE 31 -0.849 8.198 -0.673 247 HB2 PHE 31 2HB PHE 31 -1.130 5.839 -0.838 248 HB3 PHE 31 1HB PHE 31 -1.363 6.557 -2.406 249 HD1 PHE 31 1HD PHE 31 0.301 6.341 -4.183 250 HD2 PHE 31 2HD PHE 31 0.665 4.286 -0.505 251 HE1 PHE 31 1HE PHE 31 1.968 4.835 -5.206 252 HE2 PHE 31 2HE PHE 31 2.325 2.763 -1.499 253 HZ PHE 31 HZ PHE 31 2.992 3.049 -3.856 254 H SER 32 H SER 32 -0.256 6.857 1.246 255 HA SER 32 HA SER 32 2.604 7.022 1.903 256 HB2 SER 32 2HB SER 32 1.810 7.124 4.191 257 HB3 SER 32 1HB SER 32 1.101 8.459 3.236 258 HG SER 32 HG SER 32 -0.089 6.466 4.596 259 H ILE 33 H ILE 33 2.911 5.411 3.912 260 HA ILE 33 HA ILE 33 1.503 2.922 3.403 261 HB ILE 33 HB ILE 33 3.420 1.574 3.276 262 HG12 ILE 33 2HG1 ILE 33 5.089 3.996 4.059 263 HG13 ILE 33 1HG1 ILE 33 4.777 2.551 5.019 264 HG21 ILE 33 1HG2 ILE 33 2.962 2.672 1.198 265 HG22 ILE 33 2HG2 ILE 33 4.716 2.523 1.417 266 HG23 ILE 33 3HG2 ILE 33 3.935 4.059 1.690 267 HD11 ILE 33 3HD1 ILE 33 5.919 1.255 3.221 268 HD12 ILE 33 1HD1 ILE 33 6.941 2.303 4.218 269 HD13 ILE 33 2HD1 ILE 33 6.480 2.799 2.591 270 H GLY 34 H GLY 34 1.994 1.343 5.131 271 HA2 GLY 34 2HA GLY 34 2.301 2.775 7.702 272 HA3 GLY 34 1HA GLY 34 1.337 1.317 7.496 273 H GLY 35 H GLY 35 3.488 0.265 5.730 274 HA2 GLY 35 2HA GLY 35 5.912 -0.245 6.347 275 HA3 GLY 35 1HA GLY 35 5.261 -0.575 7.905 276 H GLY 36 H GLY 36 6.702 -2.424 6.635 277 HA2 GLY 36 2HA GLY 36 4.657 -4.402 5.908 278 HA3 GLY 36 1HA GLY 36 6.304 -4.422 5.299 279 H ILE 37 H ILE 37 7.592 -5.842 6.213 280 HA ILE 37 HA ILE 37 6.724 -7.482 8.330 281 HB ILE 37 HB ILE 37 8.785 -8.663 8.233 282 HG12 ILE 37 2HG1 ILE 37 10.314 -6.656 8.187 283 HG13 ILE 37 1HG1 ILE 37 10.799 -7.928 7.051 284 HG21 ILE 37 1HG2 ILE 37 7.231 -8.999 6.423 285 HG22 ILE 37 2HG2 ILE 37 8.900 -9.231 5.892 286 HG23 ILE 37 3HG2 ILE 37 8.035 -7.743 5.478 287 HD11 ILE 37 3HD1 ILE 37 9.420 -5.323 6.505 288 HD12 ILE 37 1HD1 ILE 37 9.764 -6.533 5.275 289 HD13 ILE 37 2HD1 ILE 37 11.081 -5.727 6.132 290 H ASP 38 H ASP 38 8.598 -4.636 8.283 291 HA ASP 38 HA ASP 38 9.925 -4.855 10.760 292 HB2 ASP 38 2HB ASP 38 10.724 -3.377 9.092 293 HB3 ASP 38 1HB ASP 38 9.174 -2.579 8.940 294 H GLN 39 H GLN 39 6.675 -4.330 9.980 295 HA GLN 39 HA GLN 39 6.113 -2.776 12.436 296 HB2 GLN 39 2HB GLN 39 3.984 -3.482 10.428 297 HB3 GLN 39 1HB GLN 39 4.113 -2.045 11.422 298 HG2 GLN 39 2HG GLN 39 5.696 -2.682 9.030 299 HG3 GLN 39 1HG GLN 39 4.433 -1.468 9.271 300 HE21 GLN 39 1HE2 GLN 39 7.327 -1.486 8.580 301 HE22 GLN 39 2HE2 GLN 39 8.076 -0.328 9.606 302 H ASP 40 H ASP 40 4.252 -3.352 13.732 303 HA ASP 40 HA ASP 40 3.893 -6.238 14.281 304 HB2 ASP 40 2HB ASP 40 3.367 -3.735 15.785 305 HB3 ASP 40 1HB ASP 40 2.464 -5.200 16.148 306 HA PRO 41 HA PRO 41 0.173 -6.013 11.823 307 HB2 PRO 41 2HB PRO 41 -0.343 -8.713 12.003 308 HB3 PRO 41 1HB PRO 41 0.710 -7.971 10.789 309 HG2 PRO 41 2HG PRO 41 1.438 -9.353 13.342 310 HG3 PRO 41 1HG PRO 41 2.227 -9.449 11.759 311 HD2 PRO 41 2HD PRO 41 3.220 -7.960 13.760 312 HD3 PRO 41 1HD PRO 41 3.362 -7.456 12.067 313 H SER 42 H SER 42 0.833 -7.292 14.894 314 HA SER 42 HA SER 42 -1.657 -7.810 15.975 315 HB2 SER 42 2HB SER 42 0.693 -6.595 17.404 316 HB3 SER 42 1HB SER 42 -0.466 -7.789 17.991 317 HG SER 42 HG SER 42 0.411 -9.175 16.286 318 H GLN 43 H GLN 43 0.082 -4.802 15.309 319 HA GLN 43 HA GLN 43 -1.860 -3.450 16.919 320 HB2 GLN 43 2HB GLN 43 0.983 -2.798 16.556 321 HB3 GLN 43 1HB GLN 43 -0.164 -1.814 17.506 322 HG2 GLN 43 2HG GLN 43 -0.700 -3.797 18.828 323 HG3 GLN 43 1HG GLN 43 0.391 -4.645 17.703 324 HE21 GLN 43 1HE2 GLN 43 2.131 -4.450 17.783 325 HE22 GLN 43 2HE2 GLN 43 3.227 -3.951 19.070 326 H ASN 44 H ASN 44 -1.071 -3.949 13.965 327 HA ASN 44 HA ASN 44 -0.992 -1.214 12.933 328 HB2 ASN 44 2HB ASN 44 -0.097 -3.764 11.833 329 HB3 ASN 44 1HB ASN 44 -0.732 -2.630 10.679 330 HD21 ASN 44 1HD2 ASN 44 1.715 -2.994 13.119 331 HD22 ASN 44 2HD2 ASN 44 2.704 -1.680 12.610 332 HA PRO 45 HA PRO 45 -5.071 -0.748 11.776 333 HB2 PRO 45 2HB PRO 45 -4.827 0.880 9.627 334 HB3 PRO 45 1HB PRO 45 -4.453 1.399 11.279 335 HG2 PRO 45 2HG PRO 45 -2.573 0.402 9.165 336 HG3 PRO 45 1HG PRO 45 -2.445 1.886 10.150 337 HD2 PRO 45 2HD PRO 45 -1.126 -0.338 10.733 338 HD3 PRO 45 1HD PRO 45 -1.827 0.679 12.021 339 H PHE 46 H PHE 46 -2.979 -1.561 9.048 340 HA PHE 46 HA PHE 46 -5.276 -2.926 7.809 341 HB2 PHE 46 2HB PHE 46 -2.949 -1.669 6.319 342 HB3 PHE 46 1HB PHE 46 -4.444 -2.306 5.637 343 HD1 PHE 46 1HD PHE 46 -6.636 -1.167 6.293 344 HD2 PHE 46 2HD PHE 46 -2.806 0.551 6.965 345 HE1 PHE 46 1HE PHE 46 -7.671 1.051 6.567 346 HE2 PHE 46 2HE PHE 46 -3.843 2.758 7.241 347 HZ PHE 46 HZ PHE 46 -6.240 3.016 7.044 348 H SER 47 H SER 47 -3.061 -3.718 9.676 349 HA SER 47 HA SER 47 -2.222 -6.021 8.075 350 HB2 SER 47 2HB SER 47 -0.457 -4.228 8.790 351 HB3 SER 47 1HB SER 47 -0.682 -4.932 10.363 352 HG SER 47 HG SER 47 -0.313 -7.042 9.288 353 H GLU 48 H GLU 48 -4.247 -5.002 10.322 354 HA GLU 48 HA GLU 48 -3.755 -6.885 12.423 355 HB2 GLU 48 2HB GLU 48 -5.921 -6.010 13.326 356 HB3 GLU 48 1HB GLU 48 -4.669 -4.792 13.066 357 HG2 GLU 48 2HG GLU 48 -5.765 -4.126 10.979 358 HG3 GLU 48 1HG GLU 48 -7.004 -5.351 11.243 359 H ASP 49 H ASP 49 -4.894 -7.190 9.456 360 HA ASP 49 HA ASP 49 -7.289 -8.678 9.831 361 HB2 ASP 49 2HB ASP 49 -7.271 -8.934 7.441 362 HB3 ASP 49 1HB ASP 49 -6.922 -7.263 7.858 363 H LYS 50 H LYS 50 -3.958 -9.364 9.068 364 HA LYS 50 HA LYS 50 -4.269 -12.184 9.850 365 HB2 LYS 50 2HB LYS 50 -2.838 -11.232 7.346 366 HB3 LYS 50 1HB LYS 50 -2.842 -12.872 7.957 367 HG2 LYS 50 2HG LYS 50 -5.245 -13.021 7.503 368 HG3 LYS 50 1HG LYS 50 -5.212 -11.373 6.866 369 HD2 LYS 50 2HD LYS 50 -3.591 -12.057 5.170 370 HD3 LYS 50 1HD LYS 50 -3.614 -13.700 5.805 371 HE2 LYS 50 2HE LYS 50 -6.045 -13.803 5.267 372 HE3 LYS 50 1HE LYS 50 -5.903 -12.196 4.558 373 HZ1 LYS 50 3HZ LYS 50 -4.496 -14.632 3.626 374 HZ2 LYS 50 1HZ LYS 50 -4.323 -13.100 2.933 375 HZ3 LYS 50 2HZ LYS 50 -5.795 -13.901 2.879 376 H THR 51 H THR 51 -1.728 -13.022 9.638 377 HA THR 51 HA THR 51 -0.177 -11.003 11.045 378 HB THR 51 HB THR 51 1.413 -12.962 11.408 379 HG1 THR 51 1HG THR 51 0.592 -15.001 10.980 380 HG21 THR 51 3HG2 THR 51 -1.425 -13.216 12.410 381 HG22 THR 51 1HG2 THR 51 -0.150 -12.251 13.148 382 HG23 THR 51 2HG2 THR 51 -0.025 -14.013 13.134 383 H ASP 52 H ASP 52 -0.791 -11.995 8.028 384 HA ASP 52 HA ASP 52 1.761 -12.046 6.809 385 HB2 ASP 52 2HB ASP 52 -0.212 -13.082 5.737 386 HB3 ASP 52 1HB ASP 52 -0.932 -11.491 5.544 387 H LYS 53 H LYS 53 3.022 -10.482 6.754 388 HA LYS 53 HA LYS 53 2.076 -7.748 6.895 389 HB2 LYS 53 2HB LYS 53 4.757 -9.004 7.289 390 HB3 LYS 53 1HB LYS 53 4.473 -7.271 7.365 391 HG2 LYS 53 2HG LYS 53 2.989 -7.546 9.240 392 HG3 LYS 53 1HG LYS 53 3.105 -9.301 9.107 393 HD2 LYS 53 2HD LYS 53 5.419 -7.462 9.702 394 HD3 LYS 53 1HD LYS 53 4.477 -8.328 10.886 395 HE2 LYS 53 2HE LYS 53 6.029 -9.677 8.678 396 HE3 LYS 53 1HE LYS 53 6.566 -9.498 10.343 397 HZ1 LYS 53 3HZ LYS 53 4.137 -11.017 9.479 398 HZ2 LYS 53 1HZ LYS 53 4.665 -10.779 11.074 399 HZ3 LYS 53 2HZ LYS 53 5.593 -11.661 9.993 400 H GLY 54 H GLY 54 3.625 -6.252 5.779 401 HA2 GLY 54 2HA GLY 54 5.002 -6.433 3.511 402 HA3 GLY 54 1HA GLY 54 3.352 -6.830 2.971 403 H ILE 55 H ILE 55 4.613 -4.490 2.122 404 HA ILE 55 HA ILE 55 3.858 -2.330 3.806 405 HB ILE 55 HB ILE 55 4.704 -2.382 0.883 406 HG12 ILE 55 2HG1 ILE 55 6.365 -3.205 2.532 407 HG13 ILE 55 1HG1 ILE 55 6.903 -1.755 1.709 408 HG21 ILE 55 1HG2 ILE 55 5.129 0.041 1.175 409 HG22 ILE 55 2HG2 ILE 55 4.395 -0.077 2.785 410 HG23 ILE 55 3HG2 ILE 55 3.416 -0.369 1.368 411 HD11 ILE 55 3HD1 ILE 55 5.741 -1.893 4.453 412 HD12 ILE 55 1HD1 ILE 55 6.280 -0.445 3.639 413 HD13 ILE 55 2HD1 ILE 55 7.450 -1.697 4.053 414 H TYR 56 H TYR 56 1.981 -1.385 4.001 415 HA TYR 56 HA TYR 56 0.049 -1.713 1.875 416 HB2 TYR 56 2HB TYR 56 -1.655 -1.537 3.918 417 HB3 TYR 56 1HB TYR 56 -0.966 -3.092 3.458 418 HD1 TYR 56 2HD TYR 56 -0.570 -0.266 5.854 419 HD2 TYR 56 1HD TYR 56 0.375 -4.263 4.866 420 HE1 TYR 56 2HE TYR 56 0.520 -0.545 8.048 421 HE2 TYR 56 1HE TYR 56 1.486 -4.580 6.944 422 HH TYR 56 HH TYR 56 1.370 -2.118 9.514 423 H VAL 57 H VAL 57 -1.399 -0.036 1.680 424 HA VAL 57 HA VAL 57 -0.271 2.582 2.170 425 HB VAL 57 HB VAL 57 -2.868 1.734 0.877 426 HG11 VAL 57 1HG1 VAL 57 -2.860 3.938 -0.131 427 HG12 VAL 57 2HG1 VAL 57 -1.420 4.359 0.800 428 HG13 VAL 57 3HG1 VAL 57 -2.941 4.038 1.627 429 HG21 VAL 57 3HG2 VAL 57 -0.148 2.284 -0.237 430 HG22 VAL 57 1HG2 VAL 57 -1.630 2.326 -1.195 431 HG23 VAL 57 2HG2 VAL 57 -1.159 0.838 -0.385 432 H THR 58 H THR 58 -0.859 4.004 3.698 433 HA THR 58 HA THR 58 -3.034 3.219 5.440 434 HB THR 58 HB THR 58 -1.832 4.936 6.959 435 HG1 THR 58 1HG THR 58 0.399 5.137 6.389 436 HG21 THR 58 3HG2 THR 58 -0.188 3.219 7.658 437 HG22 THR 58 1HG2 THR 58 -0.502 2.321 6.177 438 HG23 THR 58 2HG2 THR 58 -1.782 2.522 7.383 439 H ARG 59 H ARG 59 -1.934 5.599 3.190 440 HA ARG 59 HA ARG 59 -4.440 7.043 3.245 441 HB2 ARG 59 2HB ARG 59 -1.743 8.079 3.849 442 HB3 ARG 59 1HB ARG 59 -2.852 9.140 3.056 443 HG2 ARG 59 2HG ARG 59 -3.072 7.802 5.794 444 HG3 ARG 59 1HG ARG 59 -2.765 9.516 5.525 445 HD2 ARG 59 2HD ARG 59 -4.998 9.856 4.750 446 HD3 ARG 59 1HD ARG 59 -5.308 8.121 4.681 447 HE ARG 59 HE ARG 59 -4.643 8.569 7.257 448 HH11 ARG 59 1HH1 ARG 59 -7.078 10.066 5.154 449 HH12 ARG 59 2HH1 ARG 59 -8.226 10.227 6.392 450 HH21 ARG 59 1HH2 ARG 59 -6.296 8.782 8.950 451 HH22 ARG 59 2HH2 ARG 59 -7.798 9.453 8.547 452 H VAL 60 H VAL 60 -4.874 7.685 0.922 453 HA VAL 60 HA VAL 60 -2.646 7.269 -0.682 454 HB VAL 60 HB VAL 60 -4.234 7.348 -2.340 455 HG11 VAL 60 1HG1 VAL 60 -3.535 5.194 -1.625 456 HG12 VAL 60 2HG1 VAL 60 -5.260 5.069 -1.971 457 HG13 VAL 60 3HG1 VAL 60 -4.695 5.198 -0.295 458 HG21 VAL 60 3HG2 VAL 60 -6.024 8.552 -1.402 459 HG22 VAL 60 1HG2 VAL 60 -6.412 7.224 -0.296 460 HG23 VAL 60 2HG2 VAL 60 -6.615 7.040 -2.069 461 H SER 61 H SER 61 -3.170 8.752 -2.658 462 HA SER 61 HA SER 61 -2.954 11.467 -1.837 463 HB2 SER 61 2HB SER 61 -2.026 10.104 -3.903 464 HB3 SER 61 1HB SER 61 -3.581 10.498 -4.602 465 HG SER 61 HG SER 61 -2.662 12.755 -3.623 466 H GLU 62 H GLU 62 -4.793 12.534 -1.215 467 HA GLU 62 HA GLU 62 -7.356 11.483 -1.231 468 HB2 GLU 62 2HB GLU 62 -8.129 13.728 -0.591 469 HB3 GLU 62 1HB GLU 62 -6.713 13.222 0.316 470 HG2 GLU 62 2HG GLU 62 -5.298 14.609 -1.075 471 HG3 GLU 62 1HG GLU 62 -6.686 15.092 -2.048 472 H GLY 63 H GLY 63 -5.802 13.391 -3.632 473 HA2 GLY 63 2HA GLY 63 -7.945 12.823 -5.491 474 HA3 GLY 63 1HA GLY 63 -7.605 14.533 -5.192 475 H GLY 64 H GLY 64 -5.588 11.677 -5.426 476 HA2 GLY 64 2HA GLY 64 -4.014 13.071 -7.498 477 HA3 GLY 64 1HA GLY 64 -3.272 12.286 -6.104 478 HA PRO 65 HA PRO 65 -3.288 9.540 -9.851 479 HB2 PRO 65 2HB PRO 65 -0.852 8.452 -9.402 480 HB3 PRO 65 1HB PRO 65 -1.057 9.978 -10.252 481 HG2 PRO 65 2HG PRO 65 -0.329 9.483 -7.407 482 HG3 PRO 65 1HG PRO 65 0.332 10.672 -8.540 483 HD2 PRO 65 2HD PRO 65 -1.472 11.280 -6.644 484 HD3 PRO 65 1HD PRO 65 -1.435 12.143 -8.200 485 H ALA 66 H ALA 66 -2.446 8.901 -6.597 486 HA ALA 66 HA ALA 66 -2.471 6.127 -6.565 487 HB1 ALA 66 1HB ALA 66 -2.910 6.263 -4.166 488 HB2 ALA 66 2HB ALA 66 -3.380 7.954 -4.351 489 HB3 ALA 66 3HB ALA 66 -1.714 7.465 -4.660 490 H GLU 67 H GLU 67 -5.194 8.242 -5.556 491 HA GLU 67 HA GLU 67 -6.992 6.065 -5.635 492 HB2 GLU 67 2HB GLU 67 -8.738 7.693 -5.113 493 HB3 GLU 67 1HB GLU 67 -7.325 7.944 -4.106 494 HG2 GLU 67 2HG GLU 67 -7.703 10.113 -4.626 495 HG3 GLU 67 1HG GLU 67 -6.794 9.675 -6.072 496 H ILE 68 H ILE 68 -6.043 8.482 -7.969 497 HA ILE 68 HA ILE 68 -8.128 8.159 -9.786 498 HB ILE 68 HB ILE 68 -5.292 9.088 -10.112 499 HG12 ILE 68 2HG1 ILE 68 -6.744 10.600 -8.892 500 HG13 ILE 68 1HG1 ILE 68 -6.314 11.301 -10.443 501 HG21 ILE 68 1HG2 ILE 68 -7.367 9.075 -12.305 502 HG22 ILE 68 2HG2 ILE 68 -5.874 8.139 -12.259 503 HG23 ILE 68 3HG2 ILE 68 -5.805 9.898 -12.384 504 HD11 ILE 68 3HD1 ILE 68 -8.522 10.635 -11.318 505 HD12 ILE 68 1HD1 ILE 68 -8.620 11.742 -9.948 506 HD13 ILE 68 2HD1 ILE 68 -8.948 10.031 -9.714 507 H ALA 69 H ALA 69 -5.100 6.445 -9.410 508 HA ALA 69 HA ALA 69 -5.500 4.837 -11.741 509 HB1 ALA 69 1HB ALA 69 -3.540 3.624 -11.007 510 HB2 ALA 69 2HB ALA 69 -3.589 4.478 -9.457 511 HB3 ALA 69 3HB ALA 69 -3.268 5.363 -10.945 512 H GLY 70 H GLY 70 -5.689 4.284 -8.270 513 HA2 GLY 70 2HA GLY 70 -7.935 2.973 -7.921 514 HA3 GLY 70 1HA GLY 70 -7.052 1.727 -8.794 515 H LEU 71 H LEU 71 -5.116 3.643 -6.736 516 HA LEU 71 HA LEU 71 -4.819 1.407 -4.934 517 HB2 LEU 71 2HB LEU 71 -2.844 2.471 -5.830 518 HB3 LEU 71 1HB LEU 71 -3.332 4.031 -5.199 519 HG LEU 71 HG LEU 71 -2.593 3.460 -3.018 520 HD11 LEU 71 1HD1 LEU 71 -2.615 0.596 -4.120 521 HD12 LEU 71 2HD1 LEU 71 -3.754 1.197 -2.911 522 HD13 LEU 71 3HD1 LEU 71 -2.048 1.002 -2.512 523 HD21 LEU 71 3HD2 LEU 71 -0.820 3.684 -4.637 524 HD22 LEU 71 1HD2 LEU 71 -0.882 1.954 -4.969 525 HD23 LEU 71 2HD2 LEU 71 -0.408 2.528 -3.372 526 H GLN 72 H GLN 72 -5.728 1.217 -3.056 527 HA GLN 72 HA GLN 72 -7.038 3.587 -1.965 528 HB2 GLN 72 2HB GLN 72 -7.867 0.692 -1.761 529 HB3 GLN 72 1HB GLN 72 -8.664 2.068 -1.005 530 HG2 GLN 72 2HG GLN 72 -8.381 1.659 -3.964 531 HG3 GLN 72 1HG GLN 72 -9.803 1.268 -2.993 532 HE21 GLN 72 1HE2 GLN 72 -7.783 3.821 -4.146 533 HE22 GLN 72 2HE2 GLN 72 -8.936 5.085 -4.008 534 H ILE 73 H ILE 73 -7.189 3.634 0.183 535 HA ILE 73 HA ILE 73 -4.972 2.917 1.782 536 HB ILE 73 HB ILE 73 -7.778 3.665 2.650 537 HG12 ILE 73 2HG1 ILE 73 -5.322 5.372 2.236 538 HG13 ILE 73 1HG1 ILE 73 -6.784 5.402 1.261 539 HG21 ILE 73 1HG2 ILE 73 -6.554 2.587 4.422 540 HG22 ILE 73 2HG2 ILE 73 -6.748 4.309 4.762 541 HG23 ILE 73 3HG2 ILE 73 -5.200 3.689 4.184 542 HD11 ILE 73 3HD1 ILE 73 -6.696 7.276 2.819 543 HD12 ILE 73 1HD1 ILE 73 -6.580 6.139 4.159 544 HD13 ILE 73 2HD1 ILE 73 -8.054 6.205 3.186 545 H GLY 74 H GLY 74 -4.527 0.980 2.728 546 HA2 GLY 74 2HA GLY 74 -5.241 -0.865 4.079 547 HA3 GLY 74 1HA GLY 74 -6.764 -0.868 3.208 548 H ASP 75 H ASP 75 -4.923 -0.356 0.753 549 HA ASP 75 HA ASP 75 -4.786 -3.077 -0.083 550 HB2 ASP 75 2HB ASP 75 -3.759 -0.531 -1.342 551 HB3 ASP 75 1HB ASP 75 -3.543 -2.111 -2.071 552 H LYS 76 H LYS 76 -3.321 -4.475 0.270 553 HA LYS 76 HA LYS 76 -0.722 -3.695 1.318 554 HB2 LYS 76 2HB LYS 76 -1.763 -6.468 0.629 555 HB3 LYS 76 1HB LYS 76 -0.278 -6.105 1.480 556 HG2 LYS 76 2HG LYS 76 -1.597 -5.264 3.389 557 HG3 LYS 76 1HG LYS 76 -3.085 -5.666 2.522 558 HD2 LYS 76 2HD LYS 76 -2.236 -8.032 2.345 559 HD3 LYS 76 1HD LYS 76 -0.914 -7.576 3.406 560 HE2 LYS 76 2HE LYS 76 -3.842 -7.395 4.132 561 HE3 LYS 76 1HE LYS 76 -2.806 -8.757 4.528 562 HZ1 LYS 76 3HZ LYS 76 -3.110 -7.314 6.351 563 HZ2 LYS 76 1HZ LYS 76 -2.519 -5.964 5.547 564 HZ3 LYS 76 2HZ LYS 76 -1.486 -7.277 5.924 565 H ILE 77 H ILE 77 0.896 -3.295 -0.059 566 HA ILE 77 HA ILE 77 0.469 -3.912 -2.857 567 HB ILE 77 HB ILE 77 2.894 -2.509 -1.709 568 HG12 ILE 77 2HG1 ILE 77 1.724 -0.381 -2.710 569 HG13 ILE 77 1HG1 ILE 77 0.240 -1.290 -2.481 570 HG21 ILE 77 1HG2 ILE 77 1.663 -2.567 -4.443 571 HG22 ILE 77 2HG2 ILE 77 3.133 -3.395 -3.915 572 HG23 ILE 77 3HG2 ILE 77 3.084 -1.624 -3.983 573 HD11 ILE 77 3HD1 ILE 77 0.722 0.261 -0.653 574 HD12 ILE 77 1HD1 ILE 77 2.209 -0.610 -0.316 575 HD13 ILE 77 2HD1 ILE 77 0.650 -1.414 -0.106 576 H MET 78 H MET 78 1.339 -5.612 -3.822 577 HA MET 78 HA MET 78 3.228 -7.202 -2.262 578 HB2 MET 78 2HB MET 78 1.445 -7.996 -4.560 579 HB3 MET 78 1HB MET 78 2.552 -9.060 -3.726 580 HG2 MET 78 2HG MET 78 0.164 -7.729 -2.442 581 HG3 MET 78 1HG MET 78 0.154 -9.346 -3.119 582 HE1 MET 78 3HE MET 78 0.741 -7.194 -0.003 583 HE2 MET 78 1HE MET 78 2.429 -7.208 -0.505 584 HE3 MET 78 2HE MET 78 1.935 -8.067 0.949 585 H GLN 79 H GLN 79 3.070 -5.127 -4.927 586 HA GLN 79 HA GLN 79 5.745 -5.737 -5.645 587 HB2 GLN 79 2HB GLN 79 4.533 -7.590 -6.747 588 HB3 GLN 79 1HB GLN 79 3.535 -6.440 -7.597 589 HG2 GLN 79 2HG GLN 79 6.476 -6.302 -7.998 590 HG3 GLN 79 1HG GLN 79 5.572 -7.647 -8.695 591 HE21 GLN 79 1HE2 GLN 79 6.055 -4.239 -8.719 592 HE22 GLN 79 2HE2 GLN 79 5.179 -3.964 -10.194 593 H VAL 80 H VAL 80 6.733 -3.941 -6.403 594 HA VAL 80 HA VAL 80 5.113 -1.727 -7.479 595 HB VAL 80 HB VAL 80 7.326 -1.625 -5.377 596 HG11 VAL 80 1HG1 VAL 80 7.180 0.818 -5.455 597 HG12 VAL 80 2HG1 VAL 80 6.101 0.711 -6.848 598 HG13 VAL 80 3HG1 VAL 80 7.763 0.145 -6.974 599 HG21 VAL 80 3HG2 VAL 80 5.197 -2.040 -4.429 600 HG22 VAL 80 1HG2 VAL 80 4.457 -0.730 -5.325 601 HG23 VAL 80 2HG2 VAL 80 5.644 -0.369 -4.075 602 H ASN 81 H ASN 81 5.870 -1.257 -9.431 603 HA ASN 81 HA ASN 81 7.163 -1.032 -11.229 604 HB2 ASN 81 2HB ASN 81 8.033 0.714 -9.563 605 HB3 ASN 81 1HB ASN 81 9.437 -0.337 -9.383 606 HD21 ASN 81 1HD2 ASN 81 7.520 1.369 -11.656 607 HD22 ASN 81 2HD2 ASN 81 8.732 1.678 -12.825 608 H GLY 82 H GLY 82 6.961 -3.519 -10.623 609 HA2 GLY 82 2HA GLY 82 7.707 -5.611 -11.086 610 HA3 GLY 82 1HA GLY 82 9.020 -4.822 -11.936 611 H TRP 83 H TRP 83 8.957 -3.998 -8.694 612 HA TRP 83 HA TRP 83 11.457 -5.453 -8.367 613 HB2 TRP 83 2HB TRP 83 12.251 -3.557 -7.414 614 HB3 TRP 83 1HB TRP 83 10.700 -2.889 -7.929 615 HD1 TRP 83 HD TRP 83 8.745 -2.766 -6.006 616 HE1 TRP 83 1HE TRP 83 8.962 -2.336 -3.440 617 HE3 TRP 83 3HE TRP 83 13.691 -3.876 -5.369 618 HZ2 TRP 83 2HZ TRP 83 10.880 -2.432 -1.527 619 HZ3 TRP 83 3HZ TRP 83 14.649 -3.671 -3.109 620 HH2 TRP 83 HH TRP 83 13.254 -2.951 -1.207 621 H ASP 84 H ASP 84 8.322 -6.053 -7.326 622 HA ASP 84 HA ASP 84 7.336 -7.335 -5.766 623 HB2 ASP 84 2HB ASP 84 9.110 -8.970 -6.110 624 HB3 ASP 84 1HB ASP 84 10.143 -8.085 -4.974 625 H MET 85 H MET 85 6.332 -6.580 -4.092 626 HA MET 85 HA MET 85 7.810 -4.808 -2.225 627 HB2 MET 85 2HB MET 85 6.117 -3.858 -3.902 628 HB3 MET 85 1HB MET 85 4.903 -4.628 -2.900 629 HG2 MET 85 2HG MET 85 5.041 -2.362 -2.260 630 HG3 MET 85 1HG MET 85 5.788 -3.322 -0.978 631 HE1 MET 85 3HE MET 85 7.716 0.135 -1.346 632 HE2 MET 85 1HE MET 85 6.583 -0.796 -0.361 633 HE3 MET 85 2HE MET 85 6.062 -0.129 -1.908 634 H THR 86 H THR 86 6.373 -7.710 -2.562 635 HA THR 86 HA THR 86 4.529 -7.727 -0.430 636 HB THR 86 HB THR 86 4.209 -9.306 -2.217 637 HG1 THR 86 1HG THR 86 4.061 -10.016 0.283 638 HG21 THR 86 3HG2 THR 86 6.801 -10.568 -1.374 639 HG22 THR 86 1HG2 THR 86 6.498 -9.675 -2.864 640 HG23 THR 86 2HG2 THR 86 5.686 -11.212 -2.586 641 H MET 87 H MET 87 7.917 -7.901 -0.350 642 HA MET 87 HA MET 87 7.708 -8.092 2.515 643 HB2 MET 87 2HB MET 87 8.076 -10.452 1.779 644 HB3 MET 87 1HB MET 87 9.585 -9.955 1.040 645 HG2 MET 87 2HG MET 87 10.473 -9.322 3.203 646 HG3 MET 87 1HG MET 87 8.929 -9.718 3.957 647 HE1 MET 87 3HE MET 87 11.628 -10.846 5.078 648 HE2 MET 87 1HE MET 87 11.193 -12.533 5.357 649 HE3 MET 87 2HE MET 87 10.042 -11.255 5.733 650 H VAL 88 H VAL 88 8.356 -5.995 2.705 651 HA VAL 88 HA VAL 88 11.169 -5.418 2.446 652 HB VAL 88 HB VAL 88 10.324 -4.787 0.193 653 HG11 VAL 88 1HG1 VAL 88 8.417 -3.035 1.691 654 HG12 VAL 88 2HG1 VAL 88 7.994 -4.419 0.694 655 HG13 VAL 88 3HG1 VAL 88 8.681 -2.969 -0.048 656 HG21 VAL 88 3HG2 VAL 88 10.916 -2.299 0.332 657 HG22 VAL 88 1HG2 VAL 88 12.102 -3.435 1.003 658 HG23 VAL 88 2HG2 VAL 88 11.015 -2.556 2.060 659 H THR 89 H THR 89 11.743 -3.702 3.785 660 HA THR 89 HA THR 89 10.063 -3.317 6.012 661 HB THR 89 HB THR 89 11.904 -1.626 6.586 662 HG1 THR 89 1HG THR 89 13.559 -2.940 4.810 663 HG21 THR 89 3HG2 THR 89 11.713 -3.906 7.491 664 HG22 THR 89 1HG2 THR 89 13.398 -3.389 7.328 665 HG23 THR 89 2HG2 THR 89 12.699 -4.500 6.146 666 H HIS 90 H HIS 90 9.330 -1.366 6.766 667 HA HIS 90 HA HIS 90 7.931 0.333 5.063 668 HB2 HIS 90 2HB HIS 90 7.507 0.168 7.468 669 HB3 HIS 90 1HB HIS 90 9.037 0.903 7.832 670 HD1 HIS 90 1HD HIS 90 5.527 1.714 7.396 671 HD2 HIS 90 2HD HIS 90 9.108 3.729 6.835 672 HE1 HIS 90 1HE HIS 90 4.944 4.109 7.036 673 H ASP 91 H ASP 91 11.129 0.659 6.456 674 HA ASP 91 HA ASP 91 11.644 3.292 5.617 675 HB2 ASP 91 2HB ASP 91 12.831 1.838 7.379 676 HB3 ASP 91 1HB ASP 91 13.783 1.237 6.028 677 H GLN 92 H GLN 92 12.458 0.150 4.169 678 HA GLN 92 HA GLN 92 13.843 1.358 1.985 679 HB2 GLN 92 2HB GLN 92 13.235 -1.396 2.821 680 HB3 GLN 92 1HB GLN 92 13.248 -1.199 1.094 681 HG2 GLN 92 2HG GLN 92 15.443 -1.862 1.904 682 HG3 GLN 92 1HG GLN 92 15.499 -0.265 1.175 683 HE21 GLN 92 1HE2 GLN 92 14.368 -1.021 4.456 684 HE22 GLN 92 2HE2 GLN 92 15.637 -0.163 5.245 685 H ALA 93 H ALA 93 10.628 0.226 2.492 686 HA ALA 93 HA ALA 93 9.666 0.517 -0.156 687 HB1 ALA 93 1HB ALA 93 8.251 0.717 2.470 688 HB2 ALA 93 2HB ALA 93 8.575 -0.758 1.564 689 HB3 ALA 93 3HB ALA 93 7.492 0.472 0.899 690 H ARG 94 H ARG 94 9.691 2.710 2.646 691 HA ARG 94 HA ARG 94 8.291 4.818 1.532 692 HB2 ARG 94 2HB ARG 94 10.475 4.690 3.575 693 HB3 ARG 94 1HB ARG 94 9.935 6.271 3.080 694 HG2 ARG 94 2HG ARG 94 8.320 4.128 4.422 695 HG3 ARG 94 1HG ARG 94 8.918 5.616 5.147 696 HD2 ARG 94 2HD ARG 94 7.491 6.746 3.222 697 HD3 ARG 94 1HD ARG 94 6.703 5.163 3.233 698 HE ARG 94 HE ARG 94 6.654 5.791 5.798 699 HH11 ARG 94 1HH1 ARG 94 5.703 7.713 2.961 700 HH12 ARG 94 2HH1 ARG 94 4.441 8.513 3.755 701 HH21 ARG 94 1HH2 ARG 94 4.859 6.894 6.869 702 HH22 ARG 94 2HH2 ARG 94 3.922 8.021 6.027 703 H LYS 95 H LYS 95 11.541 3.821 1.237 704 HA LYS 95 HA LYS 95 12.569 6.113 -0.143 705 HB2 LYS 95 2HB LYS 95 13.733 4.564 1.525 706 HB3 LYS 95 1HB LYS 95 13.818 3.401 0.222 707 HG2 LYS 95 2HG LYS 95 15.161 4.987 -1.085 708 HG3 LYS 95 1HG LYS 95 15.082 6.122 0.270 709 HD2 LYS 95 2HD LYS 95 16.097 4.381 1.713 710 HD3 LYS 95 1HD LYS 95 16.299 3.372 0.285 711 HE2 LYS 95 2HE LYS 95 18.364 4.489 0.752 712 HE3 LYS 95 1HE LYS 95 17.675 5.154 -0.726 713 HZ1 LYS 95 3HZ LYS 95 18.539 6.893 0.731 714 HZ2 LYS 95 1HZ LYS 95 17.525 6.398 1.966 715 HZ3 LYS 95 2HZ LYS 95 16.869 7.065 0.571 716 H ARG 96 H ARG 96 10.396 4.182 -1.184 717 HA ARG 96 HA ARG 96 11.368 4.167 -3.890 718 HB2 ARG 96 2HB ARG 96 10.618 1.724 -2.463 719 HB3 ARG 96 1HB ARG 96 9.972 1.845 -4.084 720 HG2 ARG 96 2HG ARG 96 12.411 2.436 -4.750 721 HG3 ARG 96 1HG ARG 96 12.833 1.769 -3.171 722 HD2 ARG 96 2HD ARG 96 11.844 -0.345 -3.762 723 HD3 ARG 96 1HD ARG 96 11.240 0.325 -5.276 724 HE ARG 96 HE ARG 96 14.013 -0.335 -4.627 725 HH11 ARG 96 1HH1 ARG 96 11.736 0.941 -7.045 726 HH12 ARG 96 2HH1 ARG 96 12.690 0.522 -8.375 727 HH21 ARG 96 1HH2 ARG 96 15.336 -0.832 -6.424 728 HH22 ARG 96 2HH2 ARG 96 14.839 -0.489 -8.025 729 H LEU 97 H LEU 97 8.528 4.044 -1.852 730 HA LEU 97 HA LEU 97 7.104 4.933 -4.227 731 HB2 LEU 97 2HB LEU 97 5.120 4.714 -2.646 732 HB3 LEU 97 1HB LEU 97 5.872 3.279 -3.355 733 HG LEU 97 HG LEU 97 7.150 3.102 -1.183 734 HD11 LEU 97 1HD1 LEU 97 6.759 5.356 -0.335 735 HD12 LEU 97 2HD1 LEU 97 6.159 4.130 0.780 736 HD13 LEU 97 3HD1 LEU 97 5.030 5.025 -0.235 737 HD21 LEU 97 3HD2 LEU 97 5.201 1.812 -1.968 738 HD22 LEU 97 1HD2 LEU 97 4.224 2.898 -0.972 739 HD23 LEU 97 2HD2 LEU 97 5.482 1.876 -0.218 740 H THR 98 H THR 98 8.206 6.232 -1.262 741 HA THR 98 HA THR 98 6.788 8.627 -2.128 742 HB THR 98 HB THR 98 6.087 7.910 0.139 743 HG1 THR 98 1HG THR 98 7.387 10.368 -0.209 744 HG21 THR 98 3HG2 THR 98 8.074 6.977 1.003 745 HG22 THR 98 1HG2 THR 98 7.621 8.328 2.042 746 HG23 THR 98 2HG2 THR 98 8.945 8.500 0.868 747 H LYS 99 H LYS 99 9.515 7.323 -2.622 748 HA LYS 99 HA LYS 99 11.328 9.456 -2.287 749 HB2 LYS 99 2HB LYS 99 12.662 8.367 -4.064 750 HB3 LYS 99 1HB LYS 99 12.069 7.194 -2.887 751 HG2 LYS 99 2HG LYS 99 10.638 6.224 -4.331 752 HG3 LYS 99 1HG LYS 99 10.452 7.680 -5.311 753 HD2 LYS 99 2HD LYS 99 11.695 5.881 -6.480 754 HD3 LYS 99 1HD LYS 99 12.625 7.361 -6.279 755 HE2 LYS 99 2HE LYS 99 13.859 6.404 -4.476 756 HE3 LYS 99 1HE LYS 99 12.873 4.970 -4.449 757 HZ1 LYS 99 3HZ LYS 99 14.702 5.819 -6.616 758 HZ2 LYS 99 1HZ LYS 99 13.597 4.530 -6.739 759 HZ3 LYS 99 2HZ LYS 99 14.862 4.480 -5.606 760 H ARG 100 H ARG 100 12.239 10.453 -4.615 761 HA ARG 100 HA ARG 100 9.819 11.557 -5.904 762 HB2 ARG 100 2HB ARG 100 11.035 13.684 -6.160 763 HB3 ARG 100 1HB ARG 100 10.793 13.243 -4.477 764 HG2 ARG 100 2HG ARG 100 13.029 12.822 -4.119 765 HG3 ARG 100 1HG ARG 100 13.345 12.485 -5.824 766 HD2 ARG 100 2HD ARG 100 12.702 15.190 -4.657 767 HD3 ARG 100 1HD ARG 100 14.317 14.628 -5.109 768 HE ARG 100 HE ARG 100 13.446 14.368 -7.382 769 HH11 ARG 100 1HH1 ARG 100 12.067 16.790 -5.209 770 HH12 ARG 100 2HH1 ARG 100 11.279 17.683 -6.402 771 HH21 ARG 100 1HH2 ARG 100 12.371 15.615 -9.100 772 HH22 ARG 100 2HH2 ARG 100 11.434 16.984 -8.696 773 H SER 101 H SER 101 12.363 9.685 -6.499 774 HA SER 101 HA SER 101 13.254 10.863 -8.955 775 HB2 SER 101 2HB SER 101 13.758 8.251 -7.651 776 HB3 SER 101 1HB SER 101 14.619 8.813 -9.096 777 HG SER 101 HG SER 101 14.864 10.769 -7.498 778 H GLU 102 H GLU 102 11.055 8.301 -8.056 779 HA GLU 102 HA GLU 102 10.857 7.476 -10.860 780 HB2 GLU 102 2HB GLU 102 9.966 6.066 -8.325 781 HB3 GLU 102 1HB GLU 102 9.700 5.444 -9.954 782 HG2 GLU 102 2HG GLU 102 12.089 5.356 -10.354 783 HG3 GLU 102 1HG GLU 102 12.408 6.066 -8.786 784 H GLU 103 H GLU 103 9.468 8.160 -12.033 785 HA GLU 103 HA GLU 103 7.468 9.918 -11.035 786 HB2 GLU 103 2HB GLU 103 6.950 10.261 -13.529 787 HB3 GLU 103 1HB GLU 103 8.503 10.808 -12.922 788 HG2 GLU 103 2HG GLU 103 8.040 8.224 -14.365 789 HG3 GLU 103 1HG GLU 103 8.471 9.711 -15.198 790 H VAL 104 H VAL 104 7.051 7.280 -13.368 791 HA VAL 104 HA VAL 104 4.570 6.732 -12.051 792 HB VAL 104 HB VAL 104 3.908 7.695 -14.103 793 HG11 VAL 104 1HG1 VAL 104 5.958 7.747 -15.262 794 HG12 VAL 104 2HG1 VAL 104 4.603 7.093 -16.198 795 HG13 VAL 104 3HG1 VAL 104 5.847 5.987 -15.567 796 HG21 VAL 104 3HG2 VAL 104 2.756 5.599 -13.593 797 HG22 VAL 104 1HG2 VAL 104 3.933 4.735 -14.569 798 HG23 VAL 104 2HG2 VAL 104 2.842 5.888 -15.342 799 H VAL 105 H VAL 105 4.267 4.825 -11.389 800 HA VAL 105 HA VAL 105 6.109 2.701 -12.187 801 HB VAL 105 HB VAL 105 6.218 2.003 -9.768 802 HG11 VAL 105 1HG1 VAL 105 8.082 3.251 -10.783 803 HG12 VAL 105 2HG1 VAL 105 7.868 3.711 -9.095 804 HG13 VAL 105 3HG1 VAL 105 7.286 4.769 -10.381 805 HG21 VAL 105 3HG2 VAL 105 4.202 3.238 -9.108 806 HG22 VAL 105 1HG2 VAL 105 5.088 4.746 -9.276 807 HG23 VAL 105 2HG2 VAL 105 5.587 3.556 -8.058 808 H ARG 106 H ARG 106 5.273 0.645 -12.092 809 HA ARG 106 HA ARG 106 2.396 0.455 -11.835 810 HB2 ARG 106 2HB ARG 106 4.475 -1.269 -13.149 811 HB3 ARG 106 1HB ARG 106 2.773 -1.725 -13.058 812 HG2 ARG 106 2HG ARG 106 2.064 0.157 -14.252 813 HG3 ARG 106 1HG ARG 106 3.612 0.952 -14.069 814 HD2 ARG 106 2HD ARG 106 4.594 -0.621 -15.645 815 HD3 ARG 106 1HD ARG 106 3.027 -1.444 -15.804 816 HE ARG 106 HE ARG 106 2.146 0.816 -16.404 817 HH11 ARG 106 1HH1 ARG 106 5.382 -0.186 -17.394 818 HH12 ARG 106 2HH1 ARG 106 5.586 1.055 -18.522 819 HH21 ARG 106 1HH2 ARG 106 2.407 2.534 -17.857 820 HH22 ARG 106 2HH2 ARG 106 3.790 2.655 -18.849 821 H LEU 107 H LEU 107 1.543 -0.280 -10.135 822 HA LEU 107 HA LEU 107 3.143 -1.839 -8.219 823 HB2 LEU 107 2HB LEU 107 0.645 -0.340 -7.685 824 HB3 LEU 107 1HB LEU 107 1.876 -0.819 -6.533 825 HG LEU 107 HG LEU 107 2.038 1.409 -8.561 826 HD11 LEU 107 1HD1 LEU 107 1.893 1.423 -5.570 827 HD12 LEU 107 2HD1 LEU 107 0.613 1.879 -6.697 828 HD13 LEU 107 3HD1 LEU 107 2.096 2.838 -6.606 829 HD21 LEU 107 3HD2 LEU 107 4.020 0.620 -6.470 830 HD22 LEU 107 1HD2 LEU 107 4.150 1.978 -7.562 831 HD23 LEU 107 2HD2 LEU 107 4.226 0.334 -8.205 832 H LEU 108 H LEU 108 2.083 -3.581 -7.267 833 HA LEU 108 HA LEU 108 -0.566 -4.270 -8.304 834 HB2 LEU 108 2HB LEU 108 1.888 -5.743 -8.321 835 HB3 LEU 108 1HB LEU 108 0.617 -6.656 -7.536 836 HG LEU 108 HG LEU 108 -0.759 -6.165 -9.606 837 HD11 LEU 108 1HD1 LEU 108 0.488 -5.671 -11.652 838 HD12 LEU 108 2HD1 LEU 108 1.947 -5.415 -10.689 839 HD13 LEU 108 3HD1 LEU 108 0.560 -4.343 -10.496 840 HD21 LEU 108 3HD2 LEU 108 0.185 -8.349 -9.176 841 HD22 LEU 108 1HD2 LEU 108 1.729 -7.838 -9.856 842 HD23 LEU 108 2HD2 LEU 108 0.314 -7.964 -10.895 843 H VAL 109 H VAL 109 -2.033 -4.556 -6.827 844 HA VAL 109 HA VAL 109 -1.103 -5.039 -4.083 845 HB VAL 109 HB VAL 109 -2.854 -3.650 -3.159 846 HG11 VAL 109 1HG1 VAL 109 -0.766 -2.544 -3.668 847 HG12 VAL 109 2HG1 VAL 109 -2.131 -1.439 -3.826 848 HG13 VAL 109 3HG1 VAL 109 -1.370 -2.114 -5.269 849 HG21 VAL 109 3HG2 VAL 109 -4.306 -2.250 -4.538 850 HG22 VAL 109 1HG2 VAL 109 -4.575 -3.971 -4.826 851 HG23 VAL 109 2HG2 VAL 109 -3.640 -3.017 -5.979 852 H THR 110 H THR 110 -2.431 -6.302 -2.742 853 HA THR 110 HA THR 110 -4.524 -7.712 -4.201 854 HB THR 110 HB THR 110 -4.076 -9.677 -2.762 855 HG1 THR 110 1HG THR 110 -2.103 -9.744 -1.596 856 HG21 THR 110 3HG2 THR 110 -2.019 -10.448 -3.891 857 HG22 THR 110 1HG2 THR 110 -1.705 -8.790 -4.405 858 HG23 THR 110 2HG2 THR 110 -3.133 -9.645 -4.993 859 H ARG 111 H ARG 111 -6.428 -7.811 -3.229 860 HA ARG 111 HA ARG 111 -6.499 -6.283 -0.794 861 HB2 ARG 111 2HB ARG 111 -8.720 -6.831 -2.737 862 HB3 ARG 111 1HB ARG 111 -8.927 -6.045 -1.161 863 HG2 ARG 111 2HG ARG 111 -7.304 -4.353 -1.766 864 HG3 ARG 111 1HG ARG 111 -7.080 -5.121 -3.325 865 HD2 ARG 111 2HD ARG 111 -9.315 -4.523 -3.986 866 HD3 ARG 111 1HD ARG 111 -9.670 -3.910 -2.359 867 HE ARG 111 HE ARG 111 -7.646 -2.469 -2.765 868 HH11 ARG 111 1HH1 ARG 111 -10.113 -3.121 -5.217 869 HH12 ARG 111 2HH1 ARG 111 -9.640 -1.829 -6.225 870 HH21 ARG 111 1HH2 ARG 111 -6.991 -0.796 -4.048 871 HH22 ARG 111 2HH2 ARG 111 -7.717 -0.404 -5.533 872 H GLN 112 H GLN 112 -5.817 -7.628 0.544 873 HA GLN 112 HA GLN 112 -7.248 -10.074 1.175 874 HB2 GLN 112 2HB GLN 112 -5.277 -8.579 2.913 875 HB3 GLN 112 1HB GLN 112 -5.735 -10.261 3.031 876 HG2 GLN 112 2HG GLN 112 -4.076 -9.009 0.854 877 HG3 GLN 112 1HG GLN 112 -3.486 -10.010 2.175 878 HE21 GLN 112 1HE2 GLN 112 -4.943 -9.922 -0.889 879 HE22 GLN 112 2HE2 GLN 112 -4.962 -11.634 -1.158 880 H SER 113 H SER 113 -6.722 -6.830 2.433 881 HA SER 113 HA SER 113 -8.457 -7.264 4.697 882 HB2 SER 113 2HB SER 113 -6.918 -4.777 4.021 883 HB3 SER 113 1HB SER 113 -7.389 -5.375 5.616 884 HG SER 113 HG SER 113 -5.924 -7.244 5.097 885 H LEU 114 H LEU 114 -9.042 -6.643 1.786 886 HA LEU 114 HA LEU 114 -11.275 -4.835 2.293 887 HB2 LEU 114 2HB LEU 114 -9.295 -4.338 0.063 888 HB3 LEU 114 1HB LEU 114 -10.857 -3.563 0.172 889 HG LEU 114 HG LEU 114 -8.607 -3.227 2.165 890 HD11 LEU 114 1HD1 LEU 114 -8.383 -0.993 1.191 891 HD12 LEU 114 2HD1 LEU 114 -9.610 -1.391 -0.011 892 HD13 LEU 114 3HD1 LEU 114 -8.070 -2.250 -0.003 893 HD21 LEU 114 3HD2 LEU 114 -9.966 -1.369 3.023 894 HD22 LEU 114 1HD2 LEU 114 -10.819 -2.904 3.173 895 HD23 LEU 114 2HD2 LEU 114 -11.248 -1.779 1.886 896 H GLN 115 H GLN 115 -12.268 -6.939 2.158 897 HA GLN 115 HA GLN 115 -12.599 -7.847 -0.592 898 HB2 GLN 115 2HB GLN 115 -13.857 -9.741 0.341 899 HB3 GLN 115 1HB GLN 115 -12.288 -9.622 1.108 900 HG2 GLN 115 2HG GLN 115 -13.325 -8.579 3.059 901 HG3 GLN 115 1HG GLN 115 -14.905 -8.716 2.290 902 HE21 GLN 115 1HE2 GLN 115 -12.343 -10.366 3.867 903 HE22 GLN 115 2HE2 GLN 115 -13.140 -11.877 4.075 904 H LYS 116 H LYS 116 -14.402 -7.418 -1.716 905 HA LYS 116 HA LYS 116 -16.313 -6.433 -2.346 906 HB2 LYS 116 2HB LYS 116 -17.531 -7.390 -0.425 907 HB3 LYS 116 1HB LYS 116 -16.881 -6.153 0.631 908 HG2 LYS 116 2HG LYS 116 -18.144 -4.455 -0.679 909 HG3 LYS 116 1HG LYS 116 -18.871 -5.779 -1.592 910 HD2 LYS 116 2HD LYS 116 -19.847 -6.680 0.424 911 HD3 LYS 116 1HD LYS 116 -19.038 -5.447 1.391 912 HE2 LYS 116 2HE LYS 116 -21.383 -4.864 1.017 913 HE3 LYS 116 1HE LYS 116 -20.302 -3.705 0.253 914 HZ1 LYS 116 3HZ LYS 116 -22.176 -4.348 -1.142 915 HZ2 LYS 116 1HZ LYS 116 -21.647 -5.940 -1.161 916 HZ3 LYS 116 2HZ LYS 116 -20.714 -4.728 -1.879 917 H ALA 117 H ALA 117 -17.013 -4.328 -2.831 918 HA ALA 117 HA ALA 117 -16.990 -2.177 -3.076 919 HB1 ALA 117 1HB ALA 117 -16.232 -0.623 -1.383 920 HB2 ALA 117 2HB ALA 117 -15.348 -1.914 -0.560 921 HB3 ALA 117 3HB ALA 117 -17.109 -1.959 -0.629 922 H VAL 118 H VAL 118 -15.732 -0.419 -3.674 923 HA VAL 118 HA VAL 118 -14.249 0.560 -4.955 924 HB VAL 118 HB VAL 118 -12.124 -1.333 -3.891 925 HG11 VAL 118 1HG1 VAL 118 -11.511 -0.144 -5.962 926 HG12 VAL 118 2HG1 VAL 118 -10.529 0.357 -4.597 927 HG13 VAL 118 3HG1 VAL 118 -11.842 1.397 -5.165 928 HG21 VAL 118 3HG2 VAL 118 -11.581 0.431 -2.277 929 HG22 VAL 118 1HG2 VAL 118 -13.246 -0.108 -2.074 930 HG23 VAL 118 2HG2 VAL 118 -12.907 1.417 -2.893 931 H GLN 119 H GLN 119 -15.639 -0.429 -6.476 932 HA GLN 119 HA GLN 119 -14.079 -2.024 -8.389 933 HB2 GLN 119 2HB GLN 119 -17.077 -1.448 -8.488 934 HB3 GLN 119 1HB GLN 119 -16.188 -2.524 -9.530 935 HG2 GLN 119 2HG GLN 119 -17.418 -3.908 -8.078 936 HG3 GLN 119 1HG GLN 119 -15.767 -3.965 -7.481 937 HE21 GLN 119 1HE2 GLN 119 -17.975 -1.267 -6.938 938 HE22 GLN 119 2HE2 GLN 119 -18.105 -1.497 -5.236 939 H GLN 120 H GLN 120 -13.070 -0.613 -9.724 940 HA GLN 120 HA GLN 120 -13.917 2.083 -9.812 941 HB2 GLN 120 2HB GLN 120 -11.530 1.468 -9.993 942 HB3 GLN 120 1HB GLN 120 -11.854 0.724 -11.552 943 HG2 GLN 120 2HG GLN 120 -12.520 2.881 -12.459 944 HG3 GLN 120 1HG GLN 120 -12.232 3.631 -10.890 945 HE21 GLN 120 1HE2 GLN 120 -10.789 2.244 -13.700 946 HE22 GLN 120 2HE2 GLN 120 -9.181 2.794 -13.388 947 H SER 121 H SER 121 -15.808 2.344 -10.631 948 HA SER 121 HA SER 121 -16.109 1.932 -13.507 949 HB2 SER 121 2HB SER 121 -18.202 1.114 -11.481 950 HB3 SER 121 1HB SER 121 -18.354 0.996 -13.238 951 HG SER 121 HG SER 121 -16.081 -0.144 -12.433 952 H MET 122 H MET 122 -16.289 3.938 -10.857 953 HA MET 122 HA MET 122 -18.400 5.635 -11.995 954 HB2 MET 122 2HB MET 122 -17.011 5.944 -9.317 955 HB3 MET 122 1HB MET 122 -18.442 6.788 -9.871 956 HG2 MET 122 2HG MET 122 -18.243 3.851 -9.253 957 HG3 MET 122 1HG MET 122 -19.014 5.079 -8.252 958 HE1 MET 122 3HE MET 122 -20.386 2.365 -9.129 959 HE2 MET 122 1HE MET 122 -22.004 2.921 -9.556 960 HE3 MET 122 2HE MET 122 -21.197 3.578 -8.137 961 H LEU 123 H LEU 123 -15.068 5.509 -10.980 962 HA LEU 123 HA LEU 123 -14.465 8.203 -11.666 963 HB2 LEU 123 2HB LEU 123 -13.185 7.144 -9.954 964 HB3 LEU 123 1HB LEU 123 -12.779 5.812 -11.009 965 HG LEU 123 HG LEU 123 -11.407 7.324 -12.381 966 HD11 LEU 123 1HD1 LEU 123 -10.811 9.537 -11.539 967 HD12 LEU 123 2HD1 LEU 123 -12.035 9.379 -10.274 968 HD13 LEU 123 3HD1 LEU 123 -12.516 9.429 -11.969 969 HD21 LEU 123 3HD2 LEU 123 -10.446 6.009 -10.577 970 HD22 LEU 123 1HD2 LEU 123 -10.698 7.352 -9.460 971 HD23 LEU 123 2HD2 LEU 123 -9.597 7.525 -10.840 972 H SER 124 H SER 124 -14.648 8.757 -13.730 973 HA SER 124 HA SER 124 -12.863 7.536 -15.607 974 HB2 SER 124 2HB SER 124 -15.821 7.825 -16.254 975 HB3 SER 124 1HB SER 124 -14.564 7.259 -17.343 976 HG SER 124 HG SER 124 -14.476 5.786 -15.132 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 6.514 -7.397 -19.315 2 H2 GLY 1 2HT GLY 1 7.498 -6.243 -18.587 3 H3 GLY 1 3HT GLY 1 5.993 -6.623 -17.900 4 HA2 GLY 1 1HA GLY 1 8.331 -8.418 -18.113 5 HA3 GLY 1 2HA GLY 1 7.707 -7.671 -16.642 6 H SER 2 H SER 2 7.818 -10.204 -16.318 7 HA SER 2 HA SER 2 5.107 -11.158 -16.842 8 HB2 SER 2 2HB SER 2 7.619 -12.855 -16.891 9 HB3 SER 2 1HB SER 2 5.972 -13.417 -17.169 10 HG SER 2 HG SER 2 7.723 -12.189 -18.862 11 H TYR 3 H TYR 3 4.284 -10.864 -14.855 12 HA TYR 3 HA TYR 3 5.733 -12.070 -12.626 13 HB2 TYR 3 2HB TYR 3 5.740 -9.681 -12.299 14 HB3 TYR 3 1HB TYR 3 4.021 -9.578 -12.649 15 HD1 TYR 3 1HD TYR 3 6.437 -11.023 -10.200 16 HD2 TYR 3 2HD TYR 3 2.456 -9.688 -10.906 17 HE1 TYR 3 1HE TYR 3 5.931 -11.249 -7.800 18 HE2 TYR 3 2HE TYR 3 1.952 -9.909 -8.520 19 HH TYR 3 HH TYR 3 4.417 -10.497 -6.183 20 H ILE 4 H ILE 4 4.751 -13.752 -11.839 21 HA ILE 4 HA ILE 4 1.873 -13.919 -12.151 22 HB ILE 4 HB ILE 4 2.866 -15.772 -13.283 23 HG12 ILE 4 2HG1 ILE 4 1.913 -16.731 -10.572 24 HG13 ILE 4 1HG1 ILE 4 0.903 -16.348 -11.961 25 HG21 ILE 4 1HG2 ILE 4 5.094 -15.702 -12.390 26 HG22 ILE 4 2HG2 ILE 4 4.441 -17.337 -12.275 27 HG23 ILE 4 3HG2 ILE 4 4.520 -16.318 -10.838 28 HD11 ILE 4 3HD1 ILE 4 1.874 -18.210 -13.188 29 HD12 ILE 4 1HD1 ILE 4 1.167 -18.748 -11.666 30 HD13 ILE 4 2HD1 ILE 4 2.916 -18.584 -11.813 31 HA PRO 5 HA PRO 5 2.062 -13.162 -7.761 32 HB2 PRO 5 2HB PRO 5 -0.594 -12.900 -7.400 33 HB3 PRO 5 1HB PRO 5 0.413 -11.587 -8.035 34 HG2 PRO 5 2HG PRO 5 -1.392 -13.485 -9.477 35 HG3 PRO 5 1HG PRO 5 -1.098 -11.766 -9.793 36 HD2 PRO 5 2HD PRO 5 0.027 -13.776 -11.249 37 HD3 PRO 5 1HD PRO 5 0.782 -12.187 -11.017 38 H GLY 6 H GLY 6 1.168 -14.135 -5.871 39 HA2 GLY 6 2HA GLY 6 0.451 -16.950 -6.260 40 HA3 GLY 6 1HA GLY 6 1.141 -16.244 -4.795 41 H GLN 7 H GLN 7 -1.592 -15.394 -6.837 42 HA GLN 7 HA GLN 7 -3.167 -14.602 -4.642 43 HB2 GLN 7 2HB GLN 7 -3.539 -13.561 -6.702 44 HB3 GLN 7 1HB GLN 7 -3.932 -15.081 -7.517 45 HG2 GLN 7 2HG GLN 7 -5.956 -15.248 -6.135 46 HG3 GLN 7 1HG GLN 7 -5.533 -13.736 -5.342 47 HE21 GLN 7 1HE2 GLN 7 -7.881 -14.459 -6.875 48 HE22 GLN 7 2HE2 GLN 7 -8.002 -13.327 -8.160 49 HA PRO 8 HA PRO 8 -4.818 -18.595 -3.707 50 HB2 PRO 8 2HB PRO 8 -5.767 -17.999 -1.285 51 HB3 PRO 8 1HB PRO 8 -4.034 -18.009 -1.596 52 HG2 PRO 8 2HG PRO 8 -5.871 -15.646 -1.420 53 HG3 PRO 8 1HG PRO 8 -4.232 -15.841 -0.773 54 HD2 PRO 8 2HD PRO 8 -4.826 -14.572 -3.230 55 HD3 PRO 8 1HD PRO 8 -3.272 -15.258 -2.721 56 H VAL 9 H VAL 9 -7.155 -17.041 -1.851 57 HA VAL 9 HA VAL 9 -9.196 -17.016 -3.946 58 HB VAL 9 HB VAL 9 -10.780 -18.307 -2.437 59 HG11 VAL 9 1HG1 VAL 9 -9.802 -19.359 -4.434 60 HG12 VAL 9 2HG1 VAL 9 -9.932 -20.539 -3.131 61 HG13 VAL 9 3HG1 VAL 9 -8.374 -19.809 -3.505 62 HG21 VAL 9 3HG2 VAL 9 -9.532 -18.173 -0.359 63 HG22 VAL 9 1HG2 VAL 9 -8.213 -19.105 -1.070 64 HG23 VAL 9 2HG2 VAL 9 -9.789 -19.861 -0.806 65 H THR 10 H THR 10 -8.417 -16.385 -0.593 66 HA THR 10 HA THR 10 -10.632 -14.694 -0.031 67 HB THR 10 HB THR 10 -9.444 -15.984 1.634 68 HG1 THR 10 1HG THR 10 -10.380 -13.683 2.020 69 HG21 THR 10 3HG2 THR 10 -7.227 -15.261 2.510 70 HG22 THR 10 1HG2 THR 10 -7.123 -14.108 1.180 71 HG23 THR 10 2HG2 THR 10 -7.166 -15.838 0.843 72 H ALA 11 H ALA 11 -7.832 -14.249 -1.734 73 HA ALA 11 HA ALA 11 -8.049 -11.328 -1.570 74 HB1 ALA 11 1HB ALA 11 -6.100 -12.031 -0.332 75 HB2 ALA 11 2HB ALA 11 -5.623 -11.194 -1.822 76 HB3 ALA 11 3HB ALA 11 -5.556 -12.967 -1.724 77 H VAL 12 H VAL 12 -7.728 -10.243 -3.457 78 HA VAL 12 HA VAL 12 -7.180 -11.770 -5.923 79 HB VAL 12 HB VAL 12 -9.132 -9.435 -5.620 80 HG11 VAL 12 1HG1 VAL 12 -7.998 -9.372 -7.785 81 HG12 VAL 12 2HG1 VAL 12 -9.696 -9.806 -7.982 82 HG13 VAL 12 3HG1 VAL 12 -8.449 -11.051 -8.080 83 HG21 VAL 12 3HG2 VAL 12 -9.677 -12.328 -6.257 84 HG22 VAL 12 1HG2 VAL 12 -10.880 -11.040 -6.241 85 HG23 VAL 12 2HG2 VAL 12 -10.065 -11.505 -4.747 86 H VAL 13 H VAL 13 -5.720 -10.742 -7.323 87 HA VAL 13 HA VAL 13 -4.296 -8.449 -6.162 88 HB VAL 13 HB VAL 13 -3.504 -10.031 -8.582 89 HG11 VAL 13 1HG1 VAL 13 -1.211 -9.367 -7.968 90 HG12 VAL 13 2HG1 VAL 13 -1.877 -8.414 -6.640 91 HG13 VAL 13 3HG1 VAL 13 -2.274 -7.999 -8.304 92 HG21 VAL 13 3HG2 VAL 13 -2.200 -11.551 -7.278 93 HG22 VAL 13 1HG2 VAL 13 -3.865 -11.602 -6.733 94 HG23 VAL 13 2HG2 VAL 13 -2.636 -10.758 -5.774 95 H GLN 14 H GLN 14 -4.249 -6.481 -7.206 96 HA GLN 14 HA GLN 14 -5.246 -6.311 -9.933 97 HB2 GLN 14 2HB GLN 14 -6.692 -4.372 -9.370 98 HB3 GLN 14 1HB GLN 14 -7.209 -5.828 -8.539 99 HG2 GLN 14 2HG GLN 14 -7.282 -4.547 -6.716 100 HG3 GLN 14 1HG GLN 14 -5.527 -4.669 -6.724 101 HE21 GLN 14 1HE2 GLN 14 -4.330 -2.946 -7.566 102 HE22 GLN 14 2HE2 GLN 14 -4.992 -1.359 -7.664 103 H ARG 15 H ARG 15 -4.507 -4.344 -11.014 104 HA ARG 15 HA ARG 15 -1.899 -3.651 -9.901 105 HB2 ARG 15 2HB ARG 15 -1.165 -3.161 -12.159 106 HB3 ARG 15 1HB ARG 15 -1.943 -4.729 -12.150 107 HG2 ARG 15 2HG ARG 15 -2.753 -3.795 -14.105 108 HG3 ARG 15 1HG ARG 15 -4.035 -3.394 -12.964 109 HD2 ARG 15 2HD ARG 15 -2.855 -1.184 -12.607 110 HD3 ARG 15 1HD ARG 15 -1.844 -1.598 -13.987 111 HE ARG 15 HE ARG 15 -4.391 -1.902 -14.853 112 HH11 ARG 15 1HH1 ARG 15 -2.432 0.730 -13.587 113 HH12 ARG 15 2HH1 ARG 15 -3.392 1.990 -14.223 114 HH21 ARG 15 1HH2 ARG 15 -5.731 -0.185 -15.766 115 HH22 ARG 15 2HH2 ARG 15 -5.315 1.445 -15.518 116 H VAL 16 H VAL 16 -1.100 -1.510 -10.030 117 HA VAL 16 HA VAL 16 -3.129 0.594 -10.350 118 HB VAL 16 HB VAL 16 -0.976 1.134 -8.403 119 HG11 VAL 16 1HG1 VAL 16 -3.839 1.831 -8.424 120 HG12 VAL 16 2HG1 VAL 16 -2.443 2.816 -8.891 121 HG13 VAL 16 3HG1 VAL 16 -2.640 2.284 -7.216 122 HG21 VAL 16 3HG2 VAL 16 -3.278 -0.578 -7.465 123 HG22 VAL 16 1HG2 VAL 16 -2.019 0.166 -6.477 124 HG23 VAL 16 2HG2 VAL 16 -1.596 -1.117 -7.613 125 H GLU 17 H GLU 17 -2.079 2.622 -11.044 126 HA GLU 17 HA GLU 17 0.734 2.524 -11.518 127 HB2 GLU 17 2HB GLU 17 -0.046 1.406 -13.509 128 HB3 GLU 17 1HB GLU 17 -1.250 2.657 -13.776 129 HG2 GLU 17 2HG GLU 17 0.450 4.258 -14.306 130 HG3 GLU 17 1HG GLU 17 1.705 3.130 -13.805 131 H ILE 18 H ILE 18 1.282 4.264 -10.598 132 HA ILE 18 HA ILE 18 -0.469 6.585 -10.640 133 HB ILE 18 HB ILE 18 1.875 5.810 -8.933 134 HG12 ILE 18 2HG1 ILE 18 0.295 6.634 -7.095 135 HG13 ILE 18 1HG1 ILE 18 -0.922 6.737 -8.357 136 HG21 ILE 18 1HG2 ILE 18 1.866 8.061 -7.897 137 HG22 ILE 18 2HG2 ILE 18 0.905 8.628 -9.261 138 HG23 ILE 18 3HG2 ILE 18 2.518 7.987 -9.528 139 HD11 ILE 18 3HD1 ILE 18 -0.736 4.342 -8.735 140 HD12 ILE 18 1HD1 ILE 18 -1.132 4.731 -7.055 141 HD13 ILE 18 2HD1 ILE 18 0.509 4.269 -7.470 142 H HIS 19 H HIS 19 -0.138 8.229 -11.878 143 HA HIS 19 HA HIS 19 2.394 8.434 -13.304 144 HB2 HIS 19 2HB HIS 19 -0.294 9.704 -13.706 145 HB3 HIS 19 1HB HIS 19 1.116 10.274 -14.603 146 HD1 HIS 19 1HD HIS 19 -0.733 9.529 -16.591 147 HD2 HIS 19 2HD HIS 19 1.170 6.517 -14.474 148 HE1 HIS 19 1HE HIS 19 -0.973 7.454 -17.980 149 H LYS 20 H LYS 20 3.772 10.000 -12.929 150 HA LYS 20 HA LYS 20 4.402 11.156 -10.693 151 HB2 LYS 20 2HB LYS 20 5.549 12.990 -11.951 152 HB3 LYS 20 1HB LYS 20 5.872 11.354 -12.496 153 HG2 LYS 20 2HG LYS 20 4.274 11.693 -14.353 154 HG3 LYS 20 1HG LYS 20 4.013 13.344 -13.789 155 HD2 LYS 20 2HD LYS 20 6.373 13.861 -14.183 156 HD3 LYS 20 1HD LYS 20 6.657 12.208 -14.713 157 HE2 LYS 20 2HE LYS 20 4.775 14.154 -16.030 158 HE3 LYS 20 1HE LYS 20 6.398 13.772 -16.595 159 HZ1 LYS 20 3HZ LYS 20 4.132 11.835 -16.406 160 HZ2 LYS 20 1HZ LYS 20 5.684 11.471 -16.952 161 HZ3 LYS 20 2HZ LYS 20 4.714 12.529 -17.804 162 H LEU 21 H LEU 21 3.658 12.409 -9.182 163 HA LEU 21 HA LEU 21 1.916 14.695 -9.823 164 HB2 LEU 21 2HB LEU 21 0.671 13.031 -8.605 165 HB3 LEU 21 1HB LEU 21 1.949 12.858 -7.423 166 HG LEU 21 HG LEU 21 1.500 15.254 -6.766 167 HD11 LEU 21 1HD1 LEU 21 -0.982 14.836 -8.394 168 HD12 LEU 21 2HD1 LEU 21 0.326 15.966 -8.746 169 HD13 LEU 21 3HD1 LEU 21 -0.675 16.192 -7.309 170 HD21 LEU 21 3HD2 LEU 21 0.738 13.363 -5.427 171 HD22 LEU 21 1HD2 LEU 21 -0.741 13.278 -6.383 172 HD23 LEU 21 2HD2 LEU 21 -0.421 14.690 -5.375 173 H ARG 22 H ARG 22 2.772 16.615 -9.276 174 HA ARG 22 HA ARG 22 5.238 16.690 -7.706 175 HB2 ARG 22 2HB ARG 22 3.746 18.858 -9.185 176 HB3 ARG 22 1HB ARG 22 5.280 19.073 -8.363 177 HG2 ARG 22 2HG ARG 22 6.344 17.565 -9.939 178 HG3 ARG 22 1HG ARG 22 4.790 17.284 -10.732 179 HD2 ARG 22 2HD ARG 22 4.647 19.619 -11.356 180 HD3 ARG 22 1HD ARG 22 6.126 19.974 -10.469 181 HE ARG 22 HE ARG 22 6.631 17.981 -12.347 182 HH11 ARG 22 1HH1 ARG 22 5.727 21.393 -12.332 183 HH12 ARG 22 2HH1 ARG 22 6.714 21.834 -13.643 184 HH21 ARG 22 1HH2 ARG 22 7.982 18.561 -14.194 185 HH22 ARG 22 2HH2 ARG 22 8.012 20.176 -14.752 186 H GLN 23 H GLN 23 5.193 17.234 -5.508 187 HA GLN 23 HA GLN 23 2.929 18.849 -4.689 188 HB2 GLN 23 2HB GLN 23 4.072 16.494 -3.222 189 HB3 GLN 23 1HB GLN 23 2.884 17.603 -2.531 190 HG2 GLN 23 2HG GLN 23 1.473 16.868 -4.632 191 HG3 GLN 23 1HG GLN 23 2.604 15.508 -4.605 192 HE21 GLN 23 1HE2 GLN 23 2.474 14.005 -2.977 193 HE22 GLN 23 2HE2 GLN 23 1.169 13.984 -1.838 194 H GLY 24 H GLY 24 3.894 20.674 -4.333 195 HA2 GLY 24 2HA GLY 24 5.242 22.214 -3.289 196 HA3 GLY 24 1HA GLY 24 5.779 20.921 -2.232 197 H GLU 25 H GLU 25 7.792 20.436 -2.382 198 HA GLU 25 HA GLU 25 9.388 21.345 -4.651 199 HB2 GLU 25 2HB GLU 25 10.168 20.111 -2.039 200 HB3 GLU 25 1HB GLU 25 11.274 20.791 -3.220 201 HG2 GLU 25 2HG GLU 25 10.370 22.995 -2.785 202 HG3 GLU 25 1HG GLU 25 9.199 22.293 -1.662 203 H ASN 26 H ASN 26 7.687 18.704 -3.959 204 HA ASN 26 HA ASN 26 9.845 16.788 -4.674 205 HB2 ASN 26 2HB ASN 26 7.347 15.846 -3.346 206 HB3 ASN 26 1HB ASN 26 8.967 15.176 -3.285 207 HD21 ASN 26 1HD2 ASN 26 6.774 17.449 -2.071 208 HD22 ASN 26 2HD2 ASN 26 7.604 17.964 -0.689 209 H LEU 27 H LEU 27 8.941 14.776 -5.525 210 HA LEU 27 HA LEU 27 6.610 15.090 -7.239 211 HB2 LEU 27 2HB LEU 27 8.976 15.097 -8.354 212 HB3 LEU 27 1HB LEU 27 9.114 13.461 -7.775 213 HG LEU 27 HG LEU 27 8.598 13.537 -10.155 214 HD11 LEU 27 1HD1 LEU 27 6.312 12.416 -8.555 215 HD12 LEU 27 2HD1 LEU 27 7.828 11.599 -8.933 216 HD13 LEU 27 3HD1 LEU 27 6.701 12.008 -10.228 217 HD21 LEU 27 3HD2 LEU 27 6.019 14.857 -9.350 218 HD22 LEU 27 1HD2 LEU 27 6.475 14.366 -10.978 219 HD23 LEU 27 2HD2 LEU 27 7.374 15.641 -10.164 220 H ILE 28 H ILE 28 5.161 13.710 -6.316 221 HA ILE 28 HA ILE 28 6.251 11.367 -4.923 222 HB ILE 28 HB ILE 28 3.703 12.529 -3.884 223 HG12 ILE 28 2HG1 ILE 28 6.415 13.839 -3.429 224 HG13 ILE 28 1HG1 ILE 28 4.931 14.538 -4.025 225 HG21 ILE 28 1HG2 ILE 28 6.110 11.268 -2.577 226 HG22 ILE 28 2HG2 ILE 28 4.586 10.465 -2.969 227 HG23 ILE 28 3HG2 ILE 28 4.624 11.744 -1.754 228 HD11 ILE 28 3HD1 ILE 28 3.888 14.370 -1.887 229 HD12 ILE 28 1HD1 ILE 28 5.428 15.217 -1.736 230 HD13 ILE 28 2HD1 ILE 28 5.296 13.532 -1.222 231 H LEU 29 H LEU 29 4.605 9.671 -4.705 232 HA LEU 29 HA LEU 29 3.035 9.505 -7.131 233 HB2 LEU 29 2HB LEU 29 3.581 7.451 -4.995 234 HB3 LEU 29 1HB LEU 29 2.858 7.118 -6.545 235 HG LEU 29 HG LEU 29 5.692 7.898 -5.957 236 HD11 LEU 29 1HD1 LEU 29 5.225 5.603 -5.593 237 HD12 LEU 29 2HD1 LEU 29 6.206 5.777 -7.052 238 HD13 LEU 29 3HD1 LEU 29 4.471 5.471 -7.179 239 HD21 LEU 29 3HD2 LEU 29 5.022 9.091 -7.987 240 HD22 LEU 29 1HD2 LEU 29 4.428 7.584 -8.685 241 HD23 LEU 29 2HD2 LEU 29 6.150 7.792 -8.368 242 H GLY 30 H GLY 30 2.478 10.916 -4.357 243 HA2 GLY 30 2HA GLY 30 0.455 11.799 -3.752 244 HA3 GLY 30 1HA GLY 30 -0.335 10.473 -4.577 245 H PHE 31 H PHE 31 0.832 8.314 -3.342 246 HA PHE 31 HA PHE 31 -0.665 8.456 -0.862 247 HB2 PHE 31 2HB PHE 31 -0.903 6.089 -1.071 248 HB3 PHE 31 1HB PHE 31 -1.191 6.841 -2.612 249 HD1 PHE 31 2HD PHE 31 0.541 6.802 -4.417 250 HD2 PHE 31 1HD PHE 31 0.846 4.510 -0.862 251 HE1 PHE 31 2HE PHE 31 2.212 5.336 -5.514 252 HE2 PHE 31 1HE PHE 31 2.497 3.036 -1.953 253 HZ PHE 31 HZ PHE 31 3.185 3.460 -4.271 254 H SER 32 H SER 32 -0.002 6.921 0.874 255 HA SER 32 HA SER 32 2.853 6.843 1.477 256 HB2 SER 32 2HB SER 32 0.608 7.857 3.171 257 HB3 SER 32 1HB SER 32 2.180 7.387 3.809 258 HG SER 32 HG SER 32 1.913 9.237 1.687 259 H ILE 33 H ILE 33 3.067 5.398 3.622 260 HA ILE 33 HA ILE 33 1.450 2.984 3.155 261 HB ILE 33 HB ILE 33 3.338 1.609 3.135 262 HG12 ILE 33 2HG1 ILE 33 4.979 4.004 4.063 263 HG13 ILE 33 1HG1 ILE 33 4.650 2.501 4.927 264 HG21 ILE 33 1HG2 ILE 33 2.988 2.751 1.044 265 HG22 ILE 33 2HG2 ILE 33 4.720 2.489 1.334 266 HG23 ILE 33 3HG2 ILE 33 4.024 4.083 1.571 267 HD11 ILE 33 3HD1 ILE 33 6.474 2.881 2.581 268 HD12 ILE 33 1HD1 ILE 33 5.897 1.311 3.163 269 HD13 ILE 33 2HD1 ILE 33 6.833 2.347 4.231 270 H GLY 34 H GLY 34 1.878 1.352 4.917 271 HA2 GLY 34 2HA GLY 34 2.132 2.756 7.488 272 HA3 GLY 34 1HA GLY 34 1.057 1.384 7.222 273 H GLY 35 H GLY 35 3.479 0.395 5.485 274 HA2 GLY 35 2HA GLY 35 5.732 -0.322 6.296 275 HA3 GLY 35 1HA GLY 35 4.972 -0.565 7.801 276 H GLY 36 H GLY 36 6.407 -2.543 6.655 277 HA2 GLY 36 2HA GLY 36 4.316 -4.518 6.072 278 HA3 GLY 36 1HA GLY 36 5.935 -4.596 5.388 279 H ILE 37 H ILE 37 7.340 -5.913 6.387 280 HA ILE 37 HA ILE 37 6.554 -7.455 8.620 281 HB ILE 37 HB ILE 37 8.646 -8.582 8.548 282 HG12 ILE 37 2HG1 ILE 37 10.124 -6.535 8.457 283 HG13 ILE 37 1HG1 ILE 37 10.665 -7.832 7.377 284 HG21 ILE 37 1HG2 ILE 37 7.189 -9.118 6.743 285 HG22 ILE 37 2HG2 ILE 37 8.865 -9.187 6.180 286 HG23 ILE 37 3HG2 ILE 37 7.846 -7.800 5.775 287 HD11 ILE 37 3HD1 ILE 37 9.238 -5.278 6.711 288 HD12 ILE 37 1HD1 ILE 37 9.631 -6.528 5.532 289 HD13 ILE 37 2HD1 ILE 37 10.911 -5.669 6.383 290 H ASP 38 H ASP 38 8.411 -4.549 8.399 291 HA ASP 38 HA ASP 38 9.697 -4.617 10.909 292 HB2 ASP 38 2HB ASP 38 10.499 -3.168 9.200 293 HB3 ASP 38 1HB ASP 38 8.932 -2.405 9.012 294 H GLN 39 H GLN 39 6.478 -4.175 10.039 295 HA GLN 39 HA GLN 39 5.816 -2.715 12.513 296 HB2 GLN 39 2HB GLN 39 3.754 -3.410 10.442 297 HB3 GLN 39 1HB GLN 39 3.869 -1.955 11.399 298 HG2 GLN 39 2HG GLN 39 5.485 -2.616 9.024 299 HG3 GLN 39 1HG GLN 39 4.193 -1.427 9.191 300 HE21 GLN 39 1HE2 GLN 39 7.113 -1.391 8.578 301 HE22 GLN 39 2HE2 GLN 39 7.802 -0.211 9.621 302 H ASP 40 H ASP 40 4.075 -3.686 13.813 303 HA ASP 40 HA ASP 40 4.301 -6.624 13.712 304 HB2 ASP 40 2HB ASP 40 4.606 -5.068 15.976 305 HB3 ASP 40 1HB ASP 40 2.908 -5.274 15.888 306 HA PRO 41 HA PRO 41 0.184 -6.473 11.883 307 HB2 PRO 41 2HB PRO 41 -0.293 -9.182 12.513 308 HB3 PRO 41 1HB PRO 41 0.269 -8.535 10.969 309 HG2 PRO 41 2HG PRO 41 1.809 -9.795 13.164 310 HG3 PRO 41 1HG PRO 41 2.182 -9.720 11.434 311 HD2 PRO 41 2HD PRO 41 3.521 -8.302 13.205 312 HD3 PRO 41 1HD PRO 41 3.184 -7.690 11.591 313 H SER 42 H SER 42 0.921 -7.703 15.047 314 HA SER 42 HA SER 42 -1.757 -8.048 15.901 315 HB2 SER 42 2HB SER 42 0.369 -9.046 16.939 316 HB3 SER 42 1HB SER 42 0.607 -7.479 17.703 317 HG SER 42 HG SER 42 -1.386 -7.745 18.756 318 H GLN 43 H GLN 43 0.294 -5.243 15.578 319 HA GLN 43 HA GLN 43 -1.717 -3.606 16.978 320 HB2 GLN 43 2HB GLN 43 0.120 -2.075 17.604 321 HB3 GLN 43 1HB GLN 43 0.342 -3.674 18.287 322 HG2 GLN 43 2HG GLN 43 1.745 -3.731 15.923 323 HG3 GLN 43 1HG GLN 43 1.937 -2.072 16.461 324 HE21 GLN 43 1HE2 GLN 43 1.583 -4.918 18.412 325 HE22 GLN 43 2HE2 GLN 43 3.092 -4.810 19.240 326 H ASN 44 H ASN 44 -1.073 -4.419 14.114 327 HA ASN 44 HA ASN 44 -0.670 -1.801 12.839 328 HB2 ASN 44 2HB ASN 44 -0.730 -4.568 11.918 329 HB3 ASN 44 1HB ASN 44 -0.878 -3.275 10.717 330 HD21 ASN 44 1HD2 ASN 44 1.159 -5.148 10.713 331 HD22 ASN 44 2HD2 ASN 44 2.635 -4.412 11.142 332 HA PRO 45 HA PRO 45 -4.814 -1.003 11.785 333 HB2 PRO 45 2HB PRO 45 -4.500 0.414 9.502 334 HB3 PRO 45 1HB PRO 45 -4.100 1.057 11.100 335 HG2 PRO 45 2HG PRO 45 -2.300 -0.071 9.000 336 HG3 PRO 45 1HG PRO 45 -2.057 1.348 10.038 337 HD2 PRO 45 2HD PRO 45 -0.931 -1.076 10.507 338 HD3 PRO 45 1HD PRO 45 -1.344 0.089 11.782 339 H PHE 46 H PHE 46 -2.997 -1.846 8.805 340 HA PHE 46 HA PHE 46 -5.403 -3.261 7.909 341 HB2 PHE 46 2HB PHE 46 -3.085 -2.204 6.256 342 HB3 PHE 46 1HB PHE 46 -4.569 -2.916 5.636 343 HD1 PHE 46 2HD PHE 46 -6.740 -1.741 6.016 344 HD2 PHE 46 1HD PHE 46 -2.994 0.076 6.900 345 HE1 PHE 46 2HE PHE 46 -7.816 0.480 6.050 346 HE2 PHE 46 1HE PHE 46 -4.081 2.287 6.939 347 HZ PHE 46 HZ PHE 46 -6.475 2.488 6.511 348 H SER 47 H SER 47 -3.422 -4.265 9.720 349 HA SER 47 HA SER 47 -2.708 -6.757 8.301 350 HB2 SER 47 2HB SER 47 -0.828 -4.922 8.842 351 HB3 SER 47 1HB SER 47 -1.025 -5.576 10.419 352 HG SER 47 HG SER 47 -0.488 -7.387 8.321 353 H GLU 48 H GLU 48 -4.762 -5.646 10.155 354 HA GLU 48 HA GLU 48 -4.265 -6.828 12.783 355 HB2 GLU 48 2HB GLU 48 -6.461 -5.858 13.369 356 HB3 GLU 48 1HB GLU 48 -5.285 -4.689 12.770 357 HG2 GLU 48 2HG GLU 48 -6.322 -4.565 10.673 358 HG3 GLU 48 1HG GLU 48 -7.380 -5.935 11.017 359 H ASP 49 H ASP 49 -6.052 -7.582 9.914 360 HA ASP 49 HA ASP 49 -7.942 -9.309 11.169 361 HB2 ASP 49 2HB ASP 49 -8.585 -9.818 8.837 362 HB3 ASP 49 1HB ASP 49 -8.545 -8.088 9.219 363 H LYS 50 H LYS 50 -4.956 -9.548 9.635 364 HA LYS 50 HA LYS 50 -4.563 -12.195 10.699 365 HB2 LYS 50 2HB LYS 50 -3.778 -13.126 8.533 366 HB3 LYS 50 1HB LYS 50 -5.504 -12.799 8.571 367 HG2 LYS 50 2HG LYS 50 -5.166 -10.760 7.313 368 HG3 LYS 50 1HG LYS 50 -3.423 -11.034 7.320 369 HD2 LYS 50 2HD LYS 50 -3.705 -13.066 6.084 370 HD3 LYS 50 1HD LYS 50 -5.459 -12.900 6.115 371 HE2 LYS 50 2HE LYS 50 -5.261 -10.817 4.844 372 HE3 LYS 50 1HE LYS 50 -3.509 -11.006 4.818 373 HZ1 LYS 50 3HZ LYS 50 -4.472 -11.765 2.802 374 HZ2 LYS 50 1HZ LYS 50 -5.486 -12.837 3.633 375 HZ3 LYS 50 2HZ LYS 50 -3.811 -13.097 3.645 376 H THR 51 H THR 51 -2.244 -12.905 10.300 377 HA THR 51 HA THR 51 -0.550 -10.780 11.162 378 HB THR 51 HB THR 51 0.992 -12.885 11.234 379 HG1 THR 51 1HG THR 51 -0.216 -14.799 11.187 380 HG21 THR 51 3HG2 THR 51 -1.518 -12.668 12.925 381 HG22 THR 51 1HG2 THR 51 -0.017 -11.794 13.217 382 HG23 THR 51 2HG2 THR 51 -0.057 -13.551 13.368 383 H ASP 52 H ASP 52 -1.457 -11.062 8.353 384 HA ASP 52 HA ASP 52 0.776 -11.844 6.718 385 HB2 ASP 52 2HB ASP 52 -1.550 -12.201 6.057 386 HB3 ASP 52 1HB ASP 52 -1.828 -10.472 6.091 387 H LYS 53 H LYS 53 2.469 -10.597 6.640 388 HA LYS 53 HA LYS 53 2.477 -7.780 7.280 389 HB2 LYS 53 2HB LYS 53 4.729 -9.431 6.122 390 HB3 LYS 53 1HB LYS 53 4.852 -7.890 6.951 391 HG2 LYS 53 2HG LYS 53 3.922 -10.430 8.276 392 HG3 LYS 53 1HG LYS 53 5.589 -9.930 8.321 393 HD2 LYS 53 2HD LYS 53 4.539 -7.745 9.285 394 HD3 LYS 53 1HD LYS 53 3.238 -8.869 9.701 395 HE2 LYS 53 2HE LYS 53 6.153 -9.104 10.417 396 HE3 LYS 53 1HE LYS 53 4.829 -8.857 11.528 397 HZ1 LYS 53 3HZ LYS 53 5.347 -11.337 9.941 398 HZ2 LYS 53 1HZ LYS 53 3.981 -11.112 10.909 399 HZ3 LYS 53 2HZ LYS 53 5.497 -11.151 11.596 400 H GLY 54 H GLY 54 4.219 -6.649 5.622 401 HA2 GLY 54 2HA GLY 54 4.793 -6.496 3.226 402 HA3 GLY 54 1HA GLY 54 3.125 -6.978 2.903 403 H ILE 55 H ILE 55 4.750 -4.519 2.342 404 HA ILE 55 HA ILE 55 3.766 -2.356 3.830 405 HB ILE 55 HB ILE 55 4.721 -2.418 0.948 406 HG12 ILE 55 2HG1 ILE 55 6.328 -3.206 2.668 407 HG13 ILE 55 1HG1 ILE 55 6.879 -1.801 1.768 408 HG21 ILE 55 1HG2 ILE 55 4.394 -0.057 2.777 409 HG22 ILE 55 2HG2 ILE 55 3.424 -0.392 1.352 410 HG23 ILE 55 3HG2 ILE 55 5.143 -0.011 1.182 411 HD11 ILE 55 3HD1 ILE 55 5.679 -1.801 4.501 412 HD12 ILE 55 1HD1 ILE 55 6.227 -0.395 3.618 413 HD13 ILE 55 2HD1 ILE 55 7.404 -1.614 4.112 414 H TYR 56 H TYR 56 1.884 -1.374 3.878 415 HA TYR 56 HA TYR 56 0.053 -1.700 1.659 416 HB2 TYR 56 2HB TYR 56 -1.733 -1.424 3.660 417 HB3 TYR 56 1HB TYR 56 -1.132 -2.998 3.154 418 HD1 TYR 56 1HD TYR 56 -0.512 -0.272 5.620 419 HD2 TYR 56 2HD TYR 56 -0.062 -4.346 4.599 420 HE1 TYR 56 1HE TYR 56 0.452 -0.717 7.831 421 HE2 TYR 56 2HE TYR 56 0.911 -4.834 6.725 422 HH TYR 56 HH TYR 56 0.970 -2.393 9.286 423 H VAL 57 H VAL 57 -1.363 0.071 1.330 424 HA VAL 57 HA VAL 57 -0.169 2.583 1.986 425 HB VAL 57 HB VAL 57 -2.660 1.901 0.414 426 HG11 VAL 57 1HG1 VAL 57 -2.566 4.177 -0.432 427 HG12 VAL 57 2HG1 VAL 57 -1.242 4.544 0.675 428 HG13 VAL 57 3HG1 VAL 57 -2.839 4.157 1.308 429 HG21 VAL 57 3HG2 VAL 57 0.166 2.527 -0.360 430 HG22 VAL 57 1HG2 VAL 57 -1.204 2.614 -1.484 431 HG23 VAL 57 2HG2 VAL 57 -0.823 1.096 -0.705 432 H THR 58 H THR 58 -0.799 4.040 3.438 433 HA THR 58 HA THR 58 -3.156 3.388 5.057 434 HB THR 58 HB THR 58 -1.972 4.910 6.750 435 HG1 THR 58 1HG THR 58 0.466 4.575 6.095 436 HG21 THR 58 3HG2 THR 58 -0.662 2.313 5.913 437 HG22 THR 58 1HG2 THR 58 -2.054 2.452 6.986 438 HG23 THR 58 2HG2 THR 58 -0.482 3.084 7.480 439 H ARG 59 H ARG 59 -1.694 5.733 3.000 440 HA ARG 59 HA ARG 59 -4.072 7.414 3.127 441 HB2 ARG 59 2HB ARG 59 -1.300 8.194 3.786 442 HB3 ARG 59 1HB ARG 59 -2.292 9.343 2.903 443 HG2 ARG 59 2HG ARG 59 -3.915 9.204 4.829 444 HG3 ARG 59 1HG ARG 59 -2.772 8.139 5.647 445 HD2 ARG 59 2HD ARG 59 -2.217 10.980 4.779 446 HD3 ARG 59 1HD ARG 59 -2.583 10.467 6.423 447 HE ARG 59 HE ARG 59 -0.408 8.993 5.473 448 HH11 ARG 59 1HH1 ARG 59 -1.135 12.318 6.461 449 HH12 ARG 59 2HH1 ARG 59 0.464 12.630 6.980 450 HH21 ARG 59 1HH2 ARG 59 1.774 9.480 6.133 451 HH22 ARG 59 2HH2 ARG 59 2.121 11.010 6.794 452 H VAL 60 H VAL 60 -4.636 8.022 0.852 453 HA VAL 60 HA VAL 60 -2.464 7.863 -0.901 454 HB VAL 60 HB VAL 60 -4.091 7.725 -2.446 455 HG11 VAL 60 1HG1 VAL 60 -3.196 5.627 -1.732 456 HG12 VAL 60 2HG1 VAL 60 -4.906 5.359 -2.065 457 HG13 VAL 60 3HG1 VAL 60 -4.348 5.524 -0.396 458 HG21 VAL 60 3HG2 VAL 60 -6.442 7.143 -2.059 459 HG22 VAL 60 1HG2 VAL 60 -5.936 8.761 -1.592 460 HG23 VAL 60 2HG2 VAL 60 -6.182 7.521 -0.331 461 H SER 61 H SER 61 -2.952 9.456 -2.717 462 HA SER 61 HA SER 61 -3.563 12.031 -1.762 463 HB2 SER 61 2HB SER 61 -2.791 10.707 -4.271 464 HB3 SER 61 1HB SER 61 -3.768 12.169 -4.452 465 HG SER 61 HG SER 61 -1.978 12.826 -2.743 466 H GLU 62 H GLU 62 -5.539 12.866 -1.617 467 HA GLU 62 HA GLU 62 -7.852 11.231 -2.043 468 HB2 GLU 62 2HB GLU 62 -9.079 13.183 -1.208 469 HB3 GLU 62 1HB GLU 62 -7.729 12.760 -0.156 470 HG2 GLU 62 2HG GLU 62 -6.404 14.535 -1.228 471 HG3 GLU 62 1HG GLU 62 -7.810 14.970 -2.187 472 H GLY 63 H GLY 63 -6.134 13.514 -3.861 473 HA2 GLY 63 2HA GLY 63 -8.060 13.252 -6.018 474 HA3 GLY 63 1HA GLY 63 -7.586 14.879 -5.515 475 H GLY 64 H GLY 64 -5.741 11.916 -5.714 476 HA2 GLY 64 2HA GLY 64 -4.043 13.257 -7.698 477 HA3 GLY 64 1HA GLY 64 -3.336 12.446 -6.310 478 HA PRO 65 HA PRO 65 -3.449 9.748 -10.111 479 HB2 PRO 65 2HB PRO 65 -0.997 8.676 -9.681 480 HB3 PRO 65 1HB PRO 65 -1.209 10.184 -10.552 481 HG2 PRO 65 2HG PRO 65 -0.456 9.759 -7.696 482 HG3 PRO 65 1HG PRO 65 0.189 10.927 -8.857 483 HD2 PRO 65 2HD PRO 65 -1.607 11.574 -6.972 484 HD3 PRO 65 1HD PRO 65 -1.616 12.375 -8.568 485 H ALA 66 H ALA 66 -2.447 9.068 -6.885 486 HA ALA 66 HA ALA 66 -2.472 6.311 -6.825 487 HB1 ALA 66 1HB ALA 66 -2.790 6.499 -4.406 488 HB2 ALA 66 2HB ALA 66 -3.286 8.179 -4.602 489 HB3 ALA 66 3HB ALA 66 -1.636 7.700 -4.992 490 H GLU 67 H GLU 67 -5.138 8.392 -5.678 491 HA GLU 67 HA GLU 67 -6.931 6.230 -5.567 492 HB2 GLU 67 2HB GLU 67 -8.589 7.839 -4.919 493 HB3 GLU 67 1HB GLU 67 -7.074 8.228 -4.130 494 HG2 GLU 67 2HG GLU 67 -7.585 10.329 -4.775 495 HG3 GLU 67 1HG GLU 67 -6.867 9.793 -6.273 496 H ILE 68 H ILE 68 -6.169 8.507 -8.086 497 HA ILE 68 HA ILE 68 -8.361 8.064 -9.777 498 HB ILE 68 HB ILE 68 -5.516 8.896 -10.278 499 HG12 ILE 68 2HG1 ILE 68 -6.978 10.520 -9.169 500 HG13 ILE 68 1HG1 ILE 68 -6.463 11.083 -10.753 501 HG21 ILE 68 1HG2 ILE 68 -6.091 9.484 -12.606 502 HG22 ILE 68 2HG2 ILE 68 -7.665 8.714 -12.399 503 HG23 ILE 68 3HG2 ILE 68 -6.194 7.747 -12.317 504 HD11 ILE 68 3HD1 ILE 68 -9.164 9.935 -10.065 505 HD12 ILE 68 1HD1 ILE 68 -8.648 10.445 -11.672 506 HD13 ILE 68 2HD1 ILE 68 -8.785 11.628 -10.378 507 H ALA 69 H ALA 69 -5.206 6.510 -9.623 508 HA ALA 69 HA ALA 69 -5.652 4.691 -11.753 509 HB1 ALA 69 1HB ALA 69 -3.714 4.513 -9.456 510 HB2 ALA 69 2HB ALA 69 -3.418 5.293 -11.012 511 HB3 ALA 69 3HB ALA 69 -3.660 3.546 -10.926 512 H GLY 70 H GLY 70 -5.635 4.219 -8.299 513 HA2 GLY 70 2HA GLY 70 -7.906 2.889 -7.788 514 HA3 GLY 70 1HA GLY 70 -6.990 1.630 -8.603 515 H LEU 71 H LEU 71 -5.268 3.905 -6.639 516 HA LEU 71 HA LEU 71 -4.617 1.794 -4.791 517 HB2 LEU 71 2HB LEU 71 -3.013 3.557 -5.982 518 HB3 LEU 71 1HB LEU 71 -3.648 4.605 -4.778 519 HG LEU 71 HG LEU 71 -2.375 3.735 -3.082 520 HD11 LEU 71 1HD1 LEU 71 -3.304 1.416 -3.255 521 HD12 LEU 71 2HD1 LEU 71 -1.545 1.377 -3.160 522 HD13 LEU 71 3HD1 LEU 71 -2.351 1.164 -4.712 523 HD21 LEU 71 3HD2 LEU 71 -0.935 2.882 -5.547 524 HD22 LEU 71 1HD2 LEU 71 -0.235 3.166 -3.957 525 HD23 LEU 71 2HD2 LEU 71 -0.959 4.503 -4.845 526 H GLN 72 H GLN 72 -5.952 1.534 -3.165 527 HA GLN 72 HA GLN 72 -7.245 3.918 -2.010 528 HB2 GLN 72 2HB GLN 72 -8.572 1.208 -2.357 529 HB3 GLN 72 1HB GLN 72 -9.292 2.634 -1.633 530 HG2 GLN 72 2HG GLN 72 -8.450 2.406 -4.506 531 HG3 GLN 72 1HG GLN 72 -10.090 2.167 -3.913 532 HE21 GLN 72 1HE2 GLN 72 -7.542 4.440 -4.322 533 HE22 GLN 72 2HE2 GLN 72 -8.485 5.856 -4.294 534 H ILE 73 H ILE 73 -6.919 4.077 0.007 535 HA ILE 73 HA ILE 73 -5.018 2.976 1.565 536 HB ILE 73 HB ILE 73 -7.698 3.837 2.614 537 HG12 ILE 73 2HG1 ILE 73 -5.185 5.465 2.206 538 HG13 ILE 73 1HG1 ILE 73 -6.633 5.579 1.212 539 HG21 ILE 73 1HG2 ILE 73 -5.045 3.682 4.004 540 HG22 ILE 73 2HG2 ILE 73 -6.446 2.651 4.289 541 HG23 ILE 73 3HG2 ILE 73 -6.518 4.369 4.688 542 HD11 ILE 73 3HD1 ILE 73 -6.519 6.131 4.154 543 HD12 ILE 73 1HD1 ILE 73 -7.906 6.380 3.105 544 HD13 ILE 73 2HD1 ILE 73 -6.457 7.385 2.908 545 H GLY 74 H GLY 74 -4.595 1.046 2.346 546 HA2 GLY 74 2HA GLY 74 -5.137 -0.753 3.823 547 HA3 GLY 74 1HA GLY 74 -6.808 -0.638 3.316 548 H ASP 75 H ASP 75 -4.594 -0.370 0.766 549 HA ASP 75 HA ASP 75 -5.185 -3.035 -0.169 550 HB2 ASP 75 2HB ASP 75 -4.011 -2.176 -2.194 551 HB3 ASP 75 1HB ASP 75 -5.306 -1.114 -1.681 552 H LYS 76 H LYS 76 -3.651 -4.620 -0.231 553 HA LYS 76 HA LYS 76 -1.170 -3.911 1.128 554 HB2 LYS 76 2HB LYS 76 -2.377 -6.680 0.830 555 HB3 LYS 76 1HB LYS 76 -0.916 -6.254 1.722 556 HG2 LYS 76 2HG LYS 76 -2.293 -4.806 3.202 557 HG3 LYS 76 1HG LYS 76 -3.725 -5.380 2.367 558 HD2 LYS 76 2HD LYS 76 -3.582 -6.614 4.385 559 HD3 LYS 76 1HD LYS 76 -3.075 -7.714 3.109 560 HE2 LYS 76 2HE LYS 76 -1.089 -6.130 4.730 561 HE3 LYS 76 1HE LYS 76 -1.735 -7.654 5.310 562 HZ1 LYS 76 3HZ LYS 76 -0.798 -8.798 3.586 563 HZ2 LYS 76 1HZ LYS 76 0.441 -7.838 4.100 564 HZ3 LYS 76 2HZ LYS 76 -0.389 -7.506 2.647 565 H ILE 77 H ILE 77 0.386 -3.517 -0.149 566 HA ILE 77 HA ILE 77 0.229 -4.080 -2.907 567 HB ILE 77 HB ILE 77 2.525 -2.910 -1.339 568 HG12 ILE 77 2HG1 ILE 77 0.370 -1.264 -2.590 569 HG13 ILE 77 1HG1 ILE 77 0.099 -1.946 -0.991 570 HG21 ILE 77 1HG2 ILE 77 1.573 -2.534 -4.186 571 HG22 ILE 77 2HG2 ILE 77 3.005 -3.440 -3.689 572 HG23 ILE 77 3HG2 ILE 77 2.931 -1.699 -3.436 573 HD11 ILE 77 3HD1 ILE 77 2.330 -0.133 -1.823 574 HD12 ILE 77 1HD1 ILE 77 2.089 -0.857 -0.223 575 HD13 ILE 77 2HD1 ILE 77 0.895 0.274 -0.840 576 H MET 78 H MET 78 1.517 -5.549 -4.054 577 HA MET 78 HA MET 78 3.397 -7.222 -2.500 578 HB2 MET 78 2HB MET 78 1.576 -8.008 -4.778 579 HB3 MET 78 1HB MET 78 2.913 -8.999 -4.249 580 HG2 MET 78 2HG MET 78 0.624 -8.232 -2.442 581 HG3 MET 78 1HG MET 78 0.599 -9.660 -3.464 582 HE1 MET 78 3HE MET 78 2.826 -9.161 0.537 583 HE2 MET 78 1HE MET 78 1.343 -8.357 0.036 584 HE3 MET 78 2HE MET 78 2.878 -7.870 -0.663 585 H GLN 79 H GLN 79 2.931 -5.121 -5.134 586 HA GLN 79 HA GLN 79 5.603 -5.694 -6.139 587 HB2 GLN 79 2HB GLN 79 3.316 -6.704 -7.403 588 HB3 GLN 79 1HB GLN 79 3.755 -5.275 -8.330 589 HG2 GLN 79 2HG GLN 79 5.560 -7.615 -7.743 590 HG3 GLN 79 1HG GLN 79 4.713 -7.311 -9.263 591 HE21 GLN 79 1HE2 GLN 79 5.237 -4.459 -9.247 592 HE22 GLN 79 2HE2 GLN 79 6.947 -4.372 -9.543 593 H VAL 80 H VAL 80 6.599 -3.851 -6.702 594 HA VAL 80 HA VAL 80 5.061 -1.453 -7.383 595 HB VAL 80 HB VAL 80 7.277 -1.617 -5.280 596 HG11 VAL 80 1HG1 VAL 80 7.102 0.813 -5.044 597 HG12 VAL 80 2HG1 VAL 80 5.998 0.863 -6.420 598 HG13 VAL 80 3HG1 VAL 80 7.665 0.338 -6.645 599 HG21 VAL 80 3HG2 VAL 80 4.400 -0.728 -5.034 600 HG22 VAL 80 1HG2 VAL 80 5.620 -0.599 -3.761 601 HG23 VAL 80 2HG2 VAL 80 5.119 -2.175 -4.376 602 H ASN 81 H ASN 81 5.845 -0.975 -9.387 603 HA ASN 81 HA ASN 81 7.264 -0.404 -11.044 604 HB2 ASN 81 2HB ASN 81 8.062 1.017 -9.019 605 HB3 ASN 81 1HB ASN 81 9.448 -0.069 -9.007 606 HD21 ASN 81 1HD2 ASN 81 7.659 1.097 -11.804 607 HD22 ASN 81 2HD2 ASN 81 8.925 1.986 -12.488 608 H GLY 82 H GLY 82 7.069 -3.093 -10.697 609 HA2 GLY 82 2HA GLY 82 8.031 -5.182 -11.053 610 HA3 GLY 82 1HA GLY 82 9.206 -4.244 -11.981 611 H TRP 83 H TRP 83 9.095 -3.671 -8.629 612 HA TRP 83 HA TRP 83 11.722 -4.989 -8.417 613 HB2 TRP 83 2HB TRP 83 12.457 -3.222 -7.178 614 HB3 TRP 83 1HB TRP 83 11.004 -2.465 -7.817 615 HD1 TRP 83 HD TRP 83 8.772 -2.722 -6.028 616 HE1 TRP 83 1HE TRP 83 8.784 -2.326 -3.469 617 HE3 TRP 83 3HE TRP 83 13.769 -3.244 -5.131 618 HZ2 TRP 83 2HZ TRP 83 10.620 -2.231 -1.405 619 HZ3 TRP 83 3HZ TRP 83 14.578 -2.982 -2.823 620 HH2 TRP 83 HH TRP 83 13.028 -2.485 -0.985 621 H ASP 84 H ASP 84 8.718 -5.993 -7.652 622 HA ASP 84 HA ASP 84 7.614 -6.913 -6.093 623 HB2 ASP 84 2HB ASP 84 8.299 -9.092 -5.440 624 HB3 ASP 84 1HB ASP 84 8.681 -8.813 -7.108 625 H MET 85 H MET 85 6.868 -6.109 -4.518 626 HA MET 85 HA MET 85 8.661 -4.922 -2.530 627 HB2 MET 85 2HB MET 85 7.019 -3.569 -3.884 628 HB3 MET 85 1HB MET 85 5.741 -4.380 -3.012 629 HG2 MET 85 2HG MET 85 7.350 -3.501 -0.992 630 HG3 MET 85 1HG MET 85 7.487 -2.197 -2.174 631 HE1 MET 85 3HE MET 85 5.344 -4.341 0.049 632 HE2 MET 85 1HE MET 85 4.463 -4.648 -1.431 633 HE3 MET 85 2HE MET 85 3.701 -3.754 -0.112 634 H THR 86 H THR 86 6.583 -7.503 -2.938 635 HA THR 86 HA THR 86 4.895 -7.974 -0.986 636 HB THR 86 HB THR 86 5.330 -9.596 -2.664 637 HG1 THR 86 1HG THR 86 4.447 -10.786 -1.183 638 HG21 THR 86 3HG2 THR 86 7.322 -11.045 -2.657 639 HG22 THR 86 1HG2 THR 86 7.983 -10.102 -1.320 640 HG23 THR 86 2HG2 THR 86 7.730 -9.346 -2.895 641 H MET 87 H MET 87 8.324 -7.936 -0.294 642 HA MET 87 HA MET 87 7.799 -8.244 2.550 643 HB2 MET 87 2HB MET 87 8.381 -10.510 1.758 644 HB3 MET 87 1HB MET 87 9.849 -9.885 1.028 645 HG2 MET 87 2HG MET 87 10.615 -9.223 3.314 646 HG3 MET 87 1HG MET 87 9.199 -10.045 3.965 647 HE1 MET 87 3HE MET 87 8.944 -12.599 2.052 648 HE2 MET 87 1HE MET 87 8.809 -12.689 3.809 649 HE3 MET 87 2HE MET 87 9.894 -13.780 2.953 650 H VAL 88 H VAL 88 8.346 -6.057 2.820 651 HA VAL 88 HA VAL 88 11.159 -5.465 2.734 652 HB VAL 88 HB VAL 88 10.364 -4.865 0.432 653 HG11 VAL 88 1HG1 VAL 88 8.918 -2.881 0.163 654 HG12 VAL 88 2HG1 VAL 88 8.588 -2.948 1.895 655 HG13 VAL 88 3HG1 VAL 88 8.076 -4.262 0.864 656 HG21 VAL 88 3HG2 VAL 88 11.269 -2.558 0.439 657 HG22 VAL 88 1HG2 VAL 88 12.253 -3.697 1.365 658 HG23 VAL 88 2HG2 VAL 88 11.177 -2.582 2.200 659 H THR 89 H THR 89 11.670 -3.680 3.999 660 HA THR 89 HA THR 89 9.899 -3.260 6.163 661 HB THR 89 HB THR 89 11.692 -1.570 6.813 662 HG1 THR 89 1HG THR 89 13.374 -2.876 5.053 663 HG21 THR 89 3HG2 THR 89 12.541 -4.431 6.379 664 HG22 THR 89 1HG2 THR 89 11.542 -3.830 7.705 665 HG23 THR 89 2HG2 THR 89 13.221 -3.294 7.550 666 H HIS 90 H HIS 90 9.174 -1.293 6.834 667 HA HIS 90 HA HIS 90 7.835 0.365 5.039 668 HB2 HIS 90 2HB HIS 90 7.340 0.227 7.432 669 HB3 HIS 90 1HB HIS 90 8.842 0.997 7.844 670 HD1 HIS 90 1HD HIS 90 5.363 1.770 7.672 671 HD2 HIS 90 2HD HIS 90 8.797 3.778 6.467 672 HE1 HIS 90 1HE HIS 90 4.658 4.072 7.152 673 H ASP 91 H ASP 91 10.953 0.722 6.596 674 HA ASP 91 HA ASP 91 11.609 3.308 5.732 675 HB2 ASP 91 2HB ASP 91 12.656 1.892 7.578 676 HB3 ASP 91 1HB ASP 91 13.560 1.122 6.281 677 H GLN 92 H GLN 92 12.421 0.120 4.403 678 HA GLN 92 HA GLN 92 13.944 1.235 2.265 679 HB2 GLN 92 2HB GLN 92 13.243 -1.471 3.146 680 HB3 GLN 92 1HB GLN 92 13.321 -1.313 1.406 681 HG2 GLN 92 2HG GLN 92 15.456 -2.038 2.288 682 HG3 GLN 92 1HG GLN 92 15.596 -0.452 1.552 683 HE21 GLN 92 1HE2 GLN 92 14.319 -1.094 4.793 684 HE22 GLN 92 2HE2 GLN 92 15.603 -0.313 5.627 685 H ALA 93 H ALA 93 10.623 0.148 2.578 686 HA ALA 93 HA ALA 93 9.989 0.275 -0.165 687 HB1 ALA 93 1HB ALA 93 7.669 0.257 0.539 688 HB2 ALA 93 2HB ALA 93 8.159 0.632 2.192 689 HB3 ALA 93 3HB ALA 93 8.629 -0.902 1.459 690 H ARG 94 H ARG 94 9.843 2.587 2.460 691 HA ARG 94 HA ARG 94 8.457 4.666 1.321 692 HB2 ARG 94 2HB ARG 94 10.607 4.480 3.350 693 HB3 ARG 94 1HB ARG 94 10.173 6.099 2.804 694 HG2 ARG 94 2HG ARG 94 8.244 4.092 3.924 695 HG3 ARG 94 1HG ARG 94 9.108 5.280 4.903 696 HD2 ARG 94 2HD ARG 94 7.401 5.940 2.556 697 HD3 ARG 94 1HD ARG 94 6.802 5.955 4.230 698 HE ARG 94 HE ARG 94 9.139 7.525 4.002 699 HH11 ARG 94 1HH1 ARG 94 5.670 7.726 3.305 700 HH12 ARG 94 2HH1 ARG 94 5.642 9.423 3.202 701 HH21 ARG 94 1HH2 ARG 94 9.092 9.845 3.915 702 HH22 ARG 94 2HH2 ARG 94 7.650 10.660 3.515 703 H LYS 95 H LYS 95 11.694 3.698 0.758 704 HA LYS 95 HA LYS 95 12.365 6.178 -0.538 705 HB2 LYS 95 2HB LYS 95 13.929 4.967 1.029 706 HB3 LYS 95 1HB LYS 95 14.060 3.691 -0.164 707 HG2 LYS 95 2HG LYS 95 15.996 5.122 -0.288 708 HG3 LYS 95 1HG LYS 95 15.031 5.324 -1.750 709 HD2 LYS 95 2HD LYS 95 14.061 7.378 -0.821 710 HD3 LYS 95 1HD LYS 95 15.026 7.168 0.643 711 HE2 LYS 95 2HE LYS 95 17.071 7.327 -0.719 712 HE3 LYS 95 1HE LYS 95 16.074 7.561 -2.148 713 HZ1 LYS 95 3HZ LYS 95 15.203 9.578 -1.172 714 HZ2 LYS 95 1HZ LYS 95 16.878 9.669 -1.290 715 HZ3 LYS 95 2HZ LYS 95 16.153 9.372 0.203 716 H ARG 96 H ARG 96 10.438 3.904 -1.498 717 HA ARG 96 HA ARG 96 11.558 3.860 -4.177 718 HB2 ARG 96 2HB ARG 96 12.018 1.640 -3.172 719 HB3 ARG 96 1HB ARG 96 10.288 1.422 -2.930 720 HG2 ARG 96 2HG ARG 96 10.983 0.222 -4.916 721 HG3 ARG 96 1HG ARG 96 9.951 1.578 -5.379 722 HD2 ARG 96 2HD ARG 96 12.008 2.903 -5.864 723 HD3 ARG 96 1HD ARG 96 12.975 1.469 -5.529 724 HE ARG 96 HE ARG 96 11.281 2.022 -7.815 725 HH11 ARG 96 1HH1 ARG 96 13.466 -0.225 -6.182 726 HH12 ARG 96 2HH1 ARG 96 13.731 -1.207 -7.537 727 HH21 ARG 96 1HH2 ARG 96 11.640 0.644 -9.712 728 HH22 ARG 96 2HH2 ARG 96 12.676 -0.719 -9.576 729 H LEU 97 H LEU 97 8.673 3.527 -2.179 730 HA LEU 97 HA LEU 97 7.181 3.967 -4.635 731 HB2 LEU 97 2HB LEU 97 5.488 2.781 -3.748 732 HB3 LEU 97 1HB LEU 97 6.866 2.133 -2.879 733 HG LEU 97 HG LEU 97 4.870 4.073 -1.823 734 HD11 LEU 97 1HD1 LEU 97 5.534 1.260 -1.175 735 HD12 LEU 97 2HD1 LEU 97 4.202 1.758 -2.236 736 HD13 LEU 97 3HD1 LEU 97 4.188 2.199 -0.506 737 HD21 LEU 97 3HD2 LEU 97 7.100 4.416 -0.832 738 HD22 LEU 97 1HD2 LEU 97 7.151 2.717 -0.383 739 HD23 LEU 97 2HD2 LEU 97 5.945 3.793 0.340 740 H THR 98 H THR 98 8.139 5.657 -1.915 741 HA THR 98 HA THR 98 6.430 7.823 -2.926 742 HB THR 98 HB THR 98 5.576 7.201 -0.720 743 HG1 THR 98 1HG THR 98 6.813 9.682 -1.007 744 HG21 THR 98 3HG2 THR 98 8.339 7.848 0.251 745 HG22 THR 98 1HG2 THR 98 7.555 6.278 0.245 746 HG23 THR 98 2HG2 THR 98 6.942 7.565 1.297 747 H LYS 99 H LYS 99 9.334 6.871 -3.206 748 HA LYS 99 HA LYS 99 11.013 9.135 -2.777 749 HB2 LYS 99 2HB LYS 99 12.422 8.124 -4.551 750 HB3 LYS 99 1HB LYS 99 11.911 6.938 -3.345 751 HG2 LYS 99 2HG LYS 99 10.618 5.813 -4.761 752 HG3 LYS 99 1HG LYS 99 10.166 7.242 -5.692 753 HD2 LYS 99 2HD LYS 99 11.500 5.746 -7.059 754 HD3 LYS 99 1HD LYS 99 12.360 7.244 -6.722 755 HE2 LYS 99 2HE LYS 99 13.750 6.157 -5.114 756 HE3 LYS 99 1HE LYS 99 12.803 4.689 -5.184 757 HZ1 LYS 99 3HZ LYS 99 13.434 4.584 -7.607 758 HZ2 LYS 99 1HZ LYS 99 14.704 4.328 -6.496 759 HZ3 LYS 99 2HZ LYS 99 14.568 5.802 -7.261 760 H ARG 100 H ARG 100 12.067 9.915 -5.242 761 HA ARG 100 HA ARG 100 9.744 10.928 -6.713 762 HB2 ARG 100 2HB ARG 100 10.878 13.118 -6.942 763 HB3 ARG 100 1HB ARG 100 10.384 12.745 -5.293 764 HG2 ARG 100 2HG ARG 100 12.570 12.399 -4.617 765 HG3 ARG 100 1HG ARG 100 13.164 12.244 -6.269 766 HD2 ARG 100 2HD ARG 100 12.042 14.742 -4.978 767 HD3 ARG 100 1HD ARG 100 13.753 14.448 -5.307 768 HE ARG 100 HE ARG 100 12.739 14.202 -7.743 769 HH11 ARG 100 1HH1 ARG 100 12.104 16.749 -5.345 770 HH12 ARG 100 2HH1 ARG 100 11.720 17.920 -6.502 771 HH21 ARG 100 1HH2 ARG 100 12.242 15.818 -9.316 772 HH22 ARG 100 2HH2 ARG 100 11.851 17.404 -8.840 773 H SER 101 H SER 101 12.361 9.104 -6.954 774 HA SER 101 HA SER 101 13.650 10.202 -9.228 775 HB2 SER 101 2HB SER 101 13.682 7.451 -8.050 776 HB3 SER 101 1HB SER 101 14.847 8.046 -9.248 777 HG SER 101 HG SER 101 15.813 9.095 -7.746 778 H GLU 102 H GLU 102 11.177 7.736 -8.751 779 HA GLU 102 HA GLU 102 10.941 7.402 -11.640 780 HB2 GLU 102 2HB GLU 102 9.690 5.875 -9.346 781 HB3 GLU 102 1HB GLU 102 9.210 5.663 -11.015 782 HG2 GLU 102 2HG GLU 102 10.652 3.879 -10.540 783 HG3 GLU 102 1HG GLU 102 11.600 5.013 -11.488 784 H GLU 103 H GLU 103 9.397 8.148 -12.761 785 HA GLU 103 HA GLU 103 7.622 10.023 -11.538 786 HB2 GLU 103 2HB GLU 103 6.825 10.331 -13.977 787 HB3 GLU 103 1HB GLU 103 8.431 10.893 -13.535 788 HG2 GLU 103 2HG GLU 103 7.893 8.260 -14.866 789 HG3 GLU 103 1HG GLU 103 8.143 9.743 -15.778 790 H VAL 104 H VAL 104 7.036 7.300 -13.702 791 HA VAL 104 HA VAL 104 4.601 6.829 -12.242 792 HB VAL 104 HB VAL 104 3.835 7.552 -14.332 793 HG11 VAL 104 1HG1 VAL 104 5.879 5.839 -15.697 794 HG12 VAL 104 2HG1 VAL 104 5.860 7.619 -15.546 795 HG13 VAL 104 3HG1 VAL 104 4.585 6.793 -16.446 796 HG21 VAL 104 3HG2 VAL 104 2.781 5.469 -13.648 797 HG22 VAL 104 1HG2 VAL 104 3.996 4.559 -14.538 798 HG23 VAL 104 2HG2 VAL 104 2.851 5.588 -15.409 799 H VAL 105 H VAL 105 4.292 4.920 -11.426 800 HA VAL 105 HA VAL 105 6.203 2.790 -12.072 801 HB VAL 105 HB VAL 105 6.107 2.129 -9.674 802 HG11 VAL 105 1HG1 VAL 105 7.009 4.972 -10.123 803 HG12 VAL 105 2HG1 VAL 105 7.962 3.524 -10.451 804 HG13 VAL 105 3HG1 VAL 105 7.517 3.930 -8.794 805 HG21 VAL 105 3HG2 VAL 105 3.952 3.129 -9.142 806 HG22 VAL 105 1HG2 VAL 105 4.647 4.736 -9.334 807 HG23 VAL 105 2HG2 VAL 105 5.211 3.682 -8.035 808 H ARG 106 H ARG 106 5.374 0.739 -12.116 809 HA ARG 106 HA ARG 106 2.470 0.528 -11.917 810 HB2 ARG 106 2HB ARG 106 4.493 -1.307 -13.158 811 HB3 ARG 106 1HB ARG 106 2.775 -1.696 -13.047 812 HG2 ARG 106 2HG ARG 106 2.247 0.367 -14.284 813 HG3 ARG 106 1HG ARG 106 3.966 0.675 -14.463 814 HD2 ARG 106 2HD ARG 106 4.188 -1.385 -15.762 815 HD3 ARG 106 1HD ARG 106 2.458 -1.689 -15.565 816 HE ARG 106 HE ARG 106 2.515 0.806 -16.531 817 HH11 ARG 106 1HH1 ARG 106 3.863 -2.238 -17.716 818 HH12 ARG 106 2HH1 ARG 106 3.876 -1.773 -19.345 819 HH21 ARG 106 1HH2 ARG 106 2.520 1.466 -18.761 820 HH22 ARG 106 2HH2 ARG 106 3.093 0.405 -19.968 821 H LEU 107 H LEU 107 1.558 -0.234 -10.256 822 HA LEU 107 HA LEU 107 3.097 -1.773 -8.269 823 HB2 LEU 107 2HB LEU 107 0.577 -0.234 -7.851 824 HB3 LEU 107 1HB LEU 107 1.729 -0.770 -6.649 825 HG LEU 107 HG LEU 107 2.140 1.462 -8.637 826 HD11 LEU 107 1HD1 LEU 107 0.544 2.024 -6.944 827 HD12 LEU 107 2HD1 LEU 107 2.062 2.895 -6.687 828 HD13 LEU 107 3HD1 LEU 107 1.658 1.501 -5.677 829 HD21 LEU 107 3HD2 LEU 107 3.868 0.522 -6.378 830 HD22 LEU 107 1HD2 LEU 107 4.140 1.949 -7.372 831 HD23 LEU 107 2HD2 LEU 107 4.219 0.352 -8.107 832 H LEU 108 H LEU 108 1.964 -3.447 -7.270 833 HA LEU 108 HA LEU 108 -0.647 -4.145 -8.336 834 HB2 LEU 108 2HB LEU 108 1.794 -5.738 -8.412 835 HB3 LEU 108 1HB LEU 108 0.426 -6.565 -7.702 836 HG LEU 108 HG LEU 108 -0.819 -5.909 -9.795 837 HD11 LEU 108 1HD1 LEU 108 1.996 -5.438 -10.815 838 HD12 LEU 108 2HD1 LEU 108 0.723 -4.228 -10.657 839 HD13 LEU 108 3HD1 LEU 108 0.556 -5.534 -11.831 840 HD21 LEU 108 3HD2 LEU 108 0.080 -7.805 -11.105 841 HD22 LEU 108 1HD2 LEU 108 -0.152 -8.188 -9.401 842 HD23 LEU 108 2HD2 LEU 108 1.466 -7.857 -10.019 843 H VAL 109 H VAL 109 -2.025 -4.516 -6.836 844 HA VAL 109 HA VAL 109 -1.006 -4.975 -4.114 845 HB VAL 109 HB VAL 109 -2.689 -3.571 -3.117 846 HG11 VAL 109 1HG1 VAL 109 -1.386 -2.019 -5.320 847 HG12 VAL 109 2HG1 VAL 109 -0.666 -2.461 -3.771 848 HG13 VAL 109 3HG1 VAL 109 -2.064 -1.382 -3.813 849 HG21 VAL 109 3HG2 VAL 109 -3.677 -2.967 -5.879 850 HG22 VAL 109 1HG2 VAL 109 -4.252 -2.210 -4.396 851 HG23 VAL 109 2HG2 VAL 109 -4.513 -3.937 -4.664 852 H THR 110 H THR 110 -2.513 -5.979 -2.697 853 HA THR 110 HA THR 110 -4.326 -7.668 -4.209 854 HB THR 110 HB THR 110 -4.082 -9.298 -2.313 855 HG1 THR 110 1HG THR 110 -2.016 -7.472 -1.535 856 HG21 THR 110 3HG2 THR 110 -1.981 -10.199 -3.082 857 HG22 THR 110 1HG2 THR 110 -1.541 -8.625 -3.771 858 HG23 THR 110 2HG2 THR 110 -2.918 -9.509 -4.419 859 H ARG 111 H ARG 111 -6.346 -7.849 -3.561 860 HA ARG 111 HA ARG 111 -7.284 -6.083 -1.449 861 HB2 ARG 111 2HB ARG 111 -8.606 -7.226 -3.904 862 HB3 ARG 111 1HB ARG 111 -9.569 -6.622 -2.564 863 HG2 ARG 111 2HG ARG 111 -7.496 -4.987 -3.997 864 HG3 ARG 111 1HG ARG 111 -9.214 -4.979 -4.409 865 HD2 ARG 111 2HD ARG 111 -9.800 -4.155 -2.240 866 HD3 ARG 111 1HD ARG 111 -8.161 -4.365 -1.644 867 HE ARG 111 HE ARG 111 -8.599 -2.531 -3.859 868 HH11 ARG 111 1HH1 ARG 111 -8.076 -2.948 -0.368 869 HH12 ARG 111 2HH1 ARG 111 -7.417 -1.390 -0.175 870 HH21 ARG 111 1HH2 ARG 111 -7.661 -0.467 -3.550 871 HH22 ARG 111 2HH2 ARG 111 -7.144 0.006 -1.967 872 H GLN 112 H GLN 112 -7.684 -6.973 0.361 873 HA GLN 112 HA GLN 112 -7.997 -9.882 0.531 874 HB2 GLN 112 2HB GLN 112 -7.780 -7.912 2.797 875 HB3 GLN 112 1HB GLN 112 -7.452 -9.636 2.829 876 HG2 GLN 112 2HG GLN 112 -5.913 -7.590 1.340 877 HG3 GLN 112 1HG GLN 112 -5.403 -8.253 2.918 878 HE21 GLN 112 1HE2 GLN 112 -5.388 -8.505 -0.441 879 HE22 GLN 112 2HE2 GLN 112 -4.530 -10.005 -0.562 880 H SER 113 H SER 113 -9.939 -7.661 -0.244 881 HA SER 113 HA SER 113 -11.904 -7.432 1.762 882 HB2 SER 113 2HB SER 113 -12.123 -6.871 -1.185 883 HB3 SER 113 1HB SER 113 -13.071 -6.144 0.117 884 HG SER 113 HG SER 113 -11.290 -5.106 0.849 885 H LEU 114 H LEU 114 -11.170 -10.069 0.536 886 HA LEU 114 HA LEU 114 -13.933 -11.012 0.090 887 HB2 LEU 114 2HB LEU 114 -11.406 -12.176 -1.113 888 HB3 LEU 114 1HB LEU 114 -12.958 -12.974 -1.167 889 HG LEU 114 HG LEU 114 -13.791 -10.922 -2.445 890 HD11 LEU 114 1HD1 LEU 114 -11.995 -9.384 -1.957 891 HD12 LEU 114 2HD1 LEU 114 -12.130 -9.652 -3.695 892 HD13 LEU 114 3HD1 LEU 114 -10.840 -10.436 -2.779 893 HD21 LEU 114 3HD2 LEU 114 -13.435 -13.075 -3.473 894 HD22 LEU 114 1HD2 LEU 114 -11.721 -12.716 -3.676 895 HD23 LEU 114 2HD2 LEU 114 -12.927 -11.782 -4.564 896 H GLN 115 H GLN 115 -12.096 -10.661 2.401 897 HA GLN 115 HA GLN 115 -11.803 -13.312 3.463 898 HB2 GLN 115 2HB GLN 115 -11.061 -12.194 5.515 899 HB3 GLN 115 1HB GLN 115 -10.238 -11.538 4.111 900 HG2 GLN 115 2HG GLN 115 -11.797 -9.600 4.156 901 HG3 GLN 115 1HG GLN 115 -12.502 -10.242 5.636 902 HE21 GLN 115 1HE2 GLN 115 -9.105 -10.382 4.828 903 HE22 GLN 115 2HE2 GLN 115 -8.538 -9.348 6.066 904 H LYS 116 H LYS 116 -13.015 -14.146 5.236 905 HA LYS 116 HA LYS 116 -15.453 -12.840 6.025 906 HB2 LYS 116 2HB LYS 116 -16.189 -13.858 3.938 907 HB3 LYS 116 1HB LYS 116 -15.435 -15.382 4.375 908 HG2 LYS 116 2HG LYS 116 -17.027 -15.526 6.297 909 HG3 LYS 116 1HG LYS 116 -17.837 -14.100 5.652 910 HD2 LYS 116 2HD LYS 116 -18.421 -15.257 3.648 911 HD3 LYS 116 1HD LYS 116 -17.429 -16.648 4.101 912 HE2 LYS 116 2HE LYS 116 -18.883 -17.017 6.053 913 HE3 LYS 116 1HE LYS 116 -19.882 -15.658 5.556 914 HZ1 LYS 116 3HZ LYS 116 -19.437 -18.129 3.971 915 HZ2 LYS 116 1HZ LYS 116 -20.428 -16.844 3.529 916 HZ3 LYS 116 2HZ LYS 116 -20.816 -17.799 4.860 917 H ALA 117 H ALA 117 -15.992 -13.565 8.033 918 HA ALA 117 HA ALA 117 -14.262 -15.381 9.369 919 HB1 ALA 117 1HB ALA 117 -15.802 -15.162 11.234 920 HB2 ALA 117 2HB ALA 117 -16.943 -14.281 10.210 921 HB3 ALA 117 3HB ALA 117 -15.366 -13.574 10.596 922 H VAL 118 H VAL 118 -14.696 -17.424 10.007 923 HA VAL 118 HA VAL 118 -15.286 -19.542 9.724 924 HB VAL 118 HB VAL 118 -18.090 -18.552 9.083 925 HG11 VAL 118 1HG1 VAL 118 -18.842 -20.746 9.885 926 HG12 VAL 118 2HG1 VAL 118 -17.165 -21.240 10.103 927 HG13 VAL 118 3HG1 VAL 118 -17.779 -20.890 8.486 928 HG21 VAL 118 3HG2 VAL 118 -17.376 -17.655 11.217 929 HG22 VAL 118 1HG2 VAL 118 -16.877 -19.260 11.751 930 HG23 VAL 118 2HG2 VAL 118 -18.584 -18.916 11.472 931 H GLN 119 H GLN 119 -13.869 -19.322 8.010 932 HA GLN 119 HA GLN 119 -14.926 -20.564 5.631 933 HB2 GLN 119 2HB GLN 119 -14.924 -18.150 4.985 934 HB3 GLN 119 1HB GLN 119 -13.237 -18.031 5.465 935 HG2 GLN 119 2HG GLN 119 -12.636 -19.651 3.718 936 HG3 GLN 119 1HG GLN 119 -14.322 -19.733 3.226 937 HE21 GLN 119 1HE2 GLN 119 -14.748 -16.878 3.595 938 HE22 GLN 119 2HE2 GLN 119 -13.953 -16.090 2.278 939 H GLN 120 H GLN 120 -12.006 -18.921 6.804 940 HA GLN 120 HA GLN 120 -10.004 -19.460 7.146 941 HB2 GLN 120 2HB GLN 120 -11.556 -21.572 8.462 942 HB3 GLN 120 1HB GLN 120 -9.809 -21.755 8.327 943 HG2 GLN 120 2HG GLN 120 -10.492 -20.708 10.453 944 HG3 GLN 120 1HG GLN 120 -9.440 -19.685 9.490 945 HE21 GLN 120 1HE2 GLN 120 -10.047 -17.836 10.416 946 HE22 GLN 120 2HE2 GLN 120 -11.587 -17.101 10.259 947 H SER 121 H SER 121 -8.930 -19.502 5.408 948 HA SER 121 HA SER 121 -8.630 -21.656 3.598 949 HB2 SER 121 2HB SER 121 -6.584 -19.538 4.322 950 HB3 SER 121 1HB SER 121 -6.774 -20.352 2.770 951 HG SER 121 HG SER 121 -8.277 -18.310 3.940 952 H MET 122 H MET 122 -7.283 -20.724 6.590 953 HA MET 122 HA MET 122 -6.410 -23.279 7.364 954 HB2 MET 122 2HB MET 122 -4.398 -22.749 6.086 955 HB3 MET 122 1HB MET 122 -4.294 -21.163 6.828 956 HG2 MET 122 2HG MET 122 -2.646 -22.714 7.744 957 HG3 MET 122 1HG MET 122 -3.788 -22.174 8.970 958 HE1 MET 122 3HE MET 122 -1.851 -24.647 9.354 959 HE2 MET 122 1HE MET 122 -2.950 -25.801 10.109 960 HE3 MET 122 2HE MET 122 -3.000 -24.100 10.574 961 H LEU 123 H LEU 123 -5.477 -19.925 8.005 962 HA LEU 123 HA LEU 123 -6.838 -20.121 10.601 963 HB2 LEU 123 2HB LEU 123 -4.534 -18.344 9.772 964 HB3 LEU 123 1HB LEU 123 -5.333 -18.280 11.328 965 HG LEU 123 HG LEU 123 -3.728 -20.610 10.268 966 HD11 LEU 123 1HD1 LEU 123 -2.132 -20.016 12.011 967 HD12 LEU 123 2HD1 LEU 123 -3.099 -18.597 12.412 968 HD13 LEU 123 3HD1 LEU 123 -2.332 -18.723 10.828 969 HD21 LEU 123 3HD2 LEU 123 -3.966 -21.528 12.535 970 HD22 LEU 123 1HD2 LEU 123 -5.529 -21.374 11.733 971 HD23 LEU 123 2HD2 LEU 123 -5.046 -20.200 12.957 972 H SER 124 H SER 124 -6.311 -18.231 7.684 973 HA SER 124 HA SER 124 -8.899 -17.032 8.070 974 HB2 SER 124 2HB SER 124 -6.398 -15.429 7.411 975 HB3 SER 124 1HB SER 124 -8.044 -14.797 7.514 976 HG SER 124 HG SER 124 -7.696 -16.016 9.744 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -3.295 -13.448 -27.036 2 H2 GLY 1 2HT GLY 1 -4.302 -12.132 -26.649 3 H3 GLY 1 3HT GLY 1 -4.672 -13.662 -26.073 4 HA2 GLY 1 1HA GLY 1 -2.774 -13.690 -24.684 5 HA3 GLY 1 2HA GLY 1 -2.285 -12.119 -25.322 6 H SER 2 H SER 2 -3.068 -13.034 -22.555 7 HA SER 2 HA SER 2 -4.815 -10.837 -22.026 8 HB2 SER 2 2HB SER 2 -6.327 -12.296 -20.611 9 HB3 SER 2 1HB SER 2 -6.485 -12.522 -22.355 10 HG SER 2 HG SER 2 -6.410 -14.481 -21.431 11 H TYR 3 H TYR 3 -4.968 -10.427 -19.700 12 HA TYR 3 HA TYR 3 -2.427 -11.036 -18.446 13 HB2 TYR 3 2HB TYR 3 -3.152 -8.674 -18.545 14 HB3 TYR 3 1HB TYR 3 -4.610 -9.087 -17.652 15 HD1 TYR 3 1HD TYR 3 -0.934 -8.829 -17.413 16 HD2 TYR 3 2HD TYR 3 -4.578 -9.254 -15.259 17 HE1 TYR 3 1HE TYR 3 0.259 -8.408 -15.315 18 HE2 TYR 3 2HE TYR 3 -3.388 -8.833 -13.151 19 HH TYR 3 HH TYR 3 -0.281 -7.569 -13.064 20 H ILE 4 H ILE 4 -2.454 -12.889 -17.371 21 HA ILE 4 HA ILE 4 -4.808 -13.573 -15.791 22 HB ILE 4 HB ILE 4 -2.381 -15.269 -16.500 23 HG12 ILE 4 2HG1 ILE 4 -3.737 -14.846 -18.494 24 HG13 ILE 4 1HG1 ILE 4 -3.894 -16.526 -18.003 25 HG21 ILE 4 1HG2 ILE 4 -4.949 -16.067 -15.129 26 HG22 ILE 4 2HG2 ILE 4 -3.355 -15.961 -14.383 27 HG23 ILE 4 3HG2 ILE 4 -3.668 -17.174 -15.625 28 HD11 ILE 4 3HD1 ILE 4 -5.913 -14.331 -17.532 29 HD12 ILE 4 1HD1 ILE 4 -6.078 -16.005 -16.994 30 HD13 ILE 4 2HD1 ILE 4 -6.027 -15.632 -18.717 31 HA PRO 5 HA PRO 5 -2.176 -11.741 -12.649 32 HB2 PRO 5 2HB PRO 5 -4.069 -11.688 -10.691 33 HB3 PRO 5 1HB PRO 5 -3.930 -10.452 -11.946 34 HG2 PRO 5 2HG PRO 5 -5.805 -12.758 -11.732 35 HG3 PRO 5 1HG PRO 5 -6.100 -11.126 -12.350 36 HD2 PRO 5 2HD PRO 5 -5.703 -13.294 -13.953 37 HD3 PRO 5 1HD PRO 5 -5.292 -11.636 -14.435 38 H GLY 6 H GLY 6 -1.657 -12.237 -10.379 39 HA2 GLY 6 2HA GLY 6 -1.273 -15.093 -9.979 40 HA3 GLY 6 1HA GLY 6 -0.538 -13.798 -9.048 41 H GLN 7 H GLN 7 -3.890 -14.251 -9.773 42 HA GLN 7 HA GLN 7 -4.675 -14.004 -7.020 43 HB2 GLN 7 2HB GLN 7 -6.056 -12.962 -8.659 44 HB3 GLN 7 1HB GLN 7 -6.179 -14.437 -9.611 45 HG2 GLN 7 2HG GLN 7 -7.569 -15.426 -7.863 46 HG3 GLN 7 1HG GLN 7 -7.391 -13.968 -6.889 47 HE21 GLN 7 1HE2 GLN 7 -7.801 -13.880 -10.381 48 HE22 GLN 7 2HE2 GLN 7 -9.381 -13.195 -10.334 49 HA PRO 8 HA PRO 8 -4.329 -18.409 -6.371 50 HB2 PRO 8 2HB PRO 8 -5.851 -18.513 -4.056 51 HB3 PRO 8 1HB PRO 8 -4.134 -18.110 -4.086 52 HG2 PRO 8 2HG PRO 8 -6.500 -16.312 -3.860 53 HG3 PRO 8 1HG PRO 8 -4.896 -16.152 -3.132 54 HD2 PRO 8 2HD PRO 8 -5.707 -14.713 -5.315 55 HD3 PRO 8 1HD PRO 8 -4.019 -15.155 -4.977 56 H VAL 9 H VAL 9 -7.405 -17.148 -5.294 57 HA VAL 9 HA VAL 9 -8.974 -18.284 -7.371 58 HB VAL 9 HB VAL 9 -10.505 -19.576 -5.743 59 HG11 VAL 9 1HG1 VAL 9 -9.234 -20.764 -7.425 60 HG12 VAL 9 2HG1 VAL 9 -9.242 -21.692 -5.925 61 HG13 VAL 9 3HG1 VAL 9 -7.813 -20.768 -6.384 62 HG21 VAL 9 3HG2 VAL 9 -7.997 -19.618 -4.065 63 HG22 VAL 9 1HG2 VAL 9 -9.430 -20.610 -3.779 64 HG23 VAL 9 2HG2 VAL 9 -9.530 -18.855 -3.644 65 H THR 10 H THR 10 -8.844 -16.893 -4.145 66 HA THR 10 HA THR 10 -11.281 -15.455 -4.799 67 HB THR 10 HB THR 10 -11.640 -17.048 -3.032 68 HG1 THR 10 1HG THR 10 -11.957 -15.252 -1.255 69 HG21 THR 10 3HG2 THR 10 -10.474 -16.911 -0.852 70 HG22 THR 10 1HG2 THR 10 -9.476 -15.600 -1.492 71 HG23 THR 10 2HG2 THR 10 -9.336 -17.201 -2.177 72 H ALA 11 H ALA 11 -8.212 -14.986 -2.872 73 HA ALA 11 HA ALA 11 -8.540 -12.220 -2.482 74 HB1 ALA 11 1HB ALA 11 -6.895 -13.547 -1.228 75 HB2 ALA 11 2HB ALA 11 -6.209 -12.126 -2.043 76 HB3 ALA 11 3HB ALA 11 -5.956 -13.732 -2.725 77 H VAL 12 H VAL 12 -8.073 -10.542 -3.597 78 HA VAL 12 HA VAL 12 -7.557 -11.072 -6.406 79 HB VAL 12 HB VAL 12 -9.032 -8.744 -5.134 80 HG11 VAL 12 1HG1 VAL 12 -7.758 -7.923 -7.073 81 HG12 VAL 12 2HG1 VAL 12 -9.487 -7.947 -7.420 82 HG13 VAL 12 3HG1 VAL 12 -8.442 -9.210 -8.067 83 HG21 VAL 12 3HG2 VAL 12 -10.254 -10.857 -5.290 84 HG22 VAL 12 1HG2 VAL 12 -9.948 -10.897 -7.021 85 HG23 VAL 12 2HG2 VAL 12 -10.950 -9.615 -6.332 86 H VAL 13 H VAL 13 -5.844 -10.406 -7.293 87 HA VAL 13 HA VAL 13 -4.326 -8.248 -6.106 88 HB VAL 13 HB VAL 13 -3.105 -10.386 -6.183 89 HG11 VAL 13 1HG1 VAL 13 -4.141 -11.480 -8.038 90 HG12 VAL 13 2HG1 VAL 13 -2.397 -11.395 -8.301 91 HG13 VAL 13 3HG1 VAL 13 -3.472 -10.284 -9.151 92 HG21 VAL 13 3HG2 VAL 13 -1.811 -8.375 -6.340 93 HG22 VAL 13 1HG2 VAL 13 -2.036 -8.318 -8.091 94 HG23 VAL 13 2HG2 VAL 13 -1.078 -9.611 -7.359 95 H GLN 14 H GLN 14 -4.198 -6.523 -7.250 96 HA GLN 14 HA GLN 14 -4.936 -6.566 -10.078 97 HB2 GLN 14 2HB GLN 14 -6.529 -4.689 -9.761 98 HB3 GLN 14 1HB GLN 14 -7.032 -6.130 -8.903 99 HG2 GLN 14 2HG GLN 14 -7.364 -4.726 -7.161 100 HG3 GLN 14 1HG GLN 14 -5.615 -4.824 -6.983 101 HE21 GLN 14 1HE2 GLN 14 -4.355 -3.163 -7.751 102 HE22 GLN 14 2HE2 GLN 14 -5.014 -1.582 -7.973 103 H ARG 15 H ARG 15 -4.233 -4.663 -11.220 104 HA ARG 15 HA ARG 15 -1.815 -3.736 -9.955 105 HB2 ARG 15 2HB ARG 15 -0.929 -3.231 -12.139 106 HB3 ARG 15 1HB ARG 15 -1.607 -4.839 -12.159 107 HG2 ARG 15 2HG ARG 15 -2.298 -4.040 -14.199 108 HG3 ARG 15 1HG ARG 15 -3.686 -3.608 -13.204 109 HD2 ARG 15 2HD ARG 15 -2.794 -1.338 -12.944 110 HD3 ARG 15 1HD ARG 15 -1.404 -1.775 -13.933 111 HE ARG 15 HE ARG 15 -3.966 -2.195 -15.163 112 HH11 ARG 15 1HH1 ARG 15 -1.235 -0.018 -14.818 113 HH12 ARG 15 2HH1 ARG 15 -1.667 1.024 -16.094 114 HH21 ARG 15 1HH2 ARG 15 -4.560 -0.856 -16.963 115 HH22 ARG 15 2HH2 ARG 15 -3.625 0.491 -17.400 116 H VAL 16 H VAL 16 -1.204 -1.576 -9.972 117 HA VAL 16 HA VAL 16 -3.342 0.405 -10.449 118 HB VAL 16 HB VAL 16 -1.177 0.978 -8.477 119 HG11 VAL 16 1HG1 VAL 16 -2.670 2.475 -7.516 120 HG12 VAL 16 2HG1 VAL 16 -4.015 1.826 -8.448 121 HG13 VAL 16 3HG1 VAL 16 -2.699 2.667 -9.263 122 HG21 VAL 16 3HG2 VAL 16 -2.356 0.126 -6.572 123 HG22 VAL 16 1HG2 VAL 16 -2.047 -1.207 -7.681 124 HG23 VAL 16 2HG2 VAL 16 -3.662 -0.470 -7.580 125 H GLU 17 H GLU 17 -2.407 2.467 -11.168 126 HA GLU 17 HA GLU 17 0.411 2.389 -11.836 127 HB2 GLU 17 2HB GLU 17 -0.728 1.486 -13.760 128 HB3 GLU 17 1HB GLU 17 -1.820 2.854 -13.784 129 HG2 GLU 17 2HG GLU 17 -0.077 4.322 -14.461 130 HG3 GLU 17 1HG GLU 17 1.128 3.055 -14.197 131 H ILE 18 H ILE 18 1.149 4.003 -10.862 132 HA ILE 18 HA ILE 18 -0.466 6.422 -10.649 133 HB ILE 18 HB ILE 18 1.767 5.391 -8.908 134 HG12 ILE 18 2HG1 ILE 18 0.194 6.409 -7.089 135 HG13 ILE 18 1HG1 ILE 18 -0.968 6.511 -8.403 136 HG21 ILE 18 1HG2 ILE 18 2.014 7.588 -7.830 137 HG22 ILE 18 2HG2 ILE 18 1.044 8.299 -9.114 138 HG23 ILE 18 3HG2 ILE 18 2.585 7.546 -9.495 139 HD11 ILE 18 3HD1 ILE 18 -0.942 4.114 -8.650 140 HD12 ILE 18 1HD1 ILE 18 -1.302 4.567 -6.981 141 HD13 ILE 18 2HD1 ILE 18 0.301 3.999 -7.394 142 H HIS 19 H HIS 19 0.016 8.091 -11.722 143 HA HIS 19 HA HIS 19 2.508 8.157 -13.254 144 HB2 HIS 19 2HB HIS 19 -0.017 9.786 -13.405 145 HB3 HIS 19 1HB HIS 19 1.369 10.061 -14.479 146 HD1 HIS 19 1HD HIS 19 -1.205 9.566 -15.887 147 HD2 HIS 19 2HD HIS 19 1.122 6.433 -14.479 148 HE1 HIS 19 1HE HIS 19 -1.907 7.556 -17.192 149 H LYS 20 H LYS 20 4.034 9.682 -12.855 150 HA LYS 20 HA LYS 20 4.680 10.681 -10.498 151 HB2 LYS 20 2HB LYS 20 6.048 12.404 -11.616 152 HB3 LYS 20 1HB LYS 20 6.177 10.811 -12.344 153 HG2 LYS 20 2HG LYS 20 4.746 11.501 -14.168 154 HG3 LYS 20 1HG LYS 20 4.468 13.058 -13.390 155 HD2 LYS 20 2HD LYS 20 6.895 13.522 -13.566 156 HD3 LYS 20 1HD LYS 20 7.094 12.017 -14.461 157 HE2 LYS 20 2HE LYS 20 6.946 13.880 -15.998 158 HE3 LYS 20 1HE LYS 20 5.533 12.846 -16.163 159 HZ1 LYS 20 3HZ LYS 20 5.021 15.240 -16.149 160 HZ2 LYS 20 1HZ LYS 20 5.603 15.351 -14.586 161 HZ3 LYS 20 2HZ LYS 20 4.233 14.434 -14.888 162 H LEU 21 H LEU 21 3.892 11.952 -9.023 163 HA LEU 21 HA LEU 21 2.399 14.363 -9.783 164 HB2 LEU 21 2HB LEU 21 0.919 12.758 -8.764 165 HB3 LEU 21 1HB LEU 21 2.032 12.516 -7.443 166 HG LEU 21 HG LEU 21 1.709 14.886 -6.782 167 HD11 LEU 21 1HD1 LEU 21 0.893 15.789 -8.876 168 HD12 LEU 21 2HD1 LEU 21 -0.269 16.081 -7.584 169 HD13 LEU 21 3HD1 LEU 21 -0.563 14.797 -8.759 170 HD21 LEU 21 3HD2 LEU 21 -0.397 14.519 -5.654 171 HD22 LEU 21 1HD2 LEU 21 0.553 13.036 -5.664 172 HD23 LEU 21 2HD2 LEU 21 -0.805 13.232 -6.781 173 H ARG 22 H ARG 22 3.364 16.211 -9.071 174 HA ARG 22 HA ARG 22 5.272 15.947 -6.905 175 HB2 ARG 22 2HB ARG 22 4.762 18.145 -8.880 176 HB3 ARG 22 1HB ARG 22 5.717 18.393 -7.423 177 HG2 ARG 22 2HG ARG 22 7.171 16.516 -8.167 178 HG3 ARG 22 1HG ARG 22 6.286 16.521 -9.692 179 HD2 ARG 22 2HD ARG 22 7.001 18.693 -10.208 180 HD3 ARG 22 1HD ARG 22 7.563 18.961 -8.558 181 HE ARG 22 HE ARG 22 8.817 17.258 -10.588 182 HH11 ARG 22 1HH1 ARG 22 9.080 19.114 -7.580 183 HH12 ARG 22 2HH1 ARG 22 10.713 18.729 -7.306 184 HH21 ARG 22 1HH2 ARG 22 11.098 16.758 -10.207 185 HH22 ARG 22 2HH2 ARG 22 11.889 17.363 -8.812 186 H GLN 23 H GLN 23 4.978 16.701 -4.961 187 HA GLN 23 HA GLN 23 2.531 18.213 -4.526 188 HB2 GLN 23 2HB GLN 23 3.736 16.039 -2.861 189 HB3 GLN 23 1HB GLN 23 2.446 17.093 -2.265 190 HG2 GLN 23 2HG GLN 23 1.117 16.178 -4.296 191 HG3 GLN 23 1HG GLN 23 2.427 14.980 -4.352 192 HE21 GLN 23 1HE2 GLN 23 0.914 13.364 -3.930 193 HE22 GLN 23 2HE2 GLN 23 0.321 13.094 -2.318 194 H GLY 24 H GLY 24 3.252 20.146 -4.128 195 HA2 GLY 24 2HA GLY 24 4.320 21.839 -2.999 196 HA3 GLY 24 1HA GLY 24 4.914 20.624 -1.880 197 H GLU 25 H GLU 25 6.921 19.965 -2.002 198 HA GLU 25 HA GLU 25 8.575 20.996 -4.207 199 HB2 GLU 25 2HB GLU 25 9.320 20.615 -1.305 200 HB3 GLU 25 1HB GLU 25 10.351 21.289 -2.563 201 HG2 GLU 25 2HG GLU 25 8.951 23.200 -2.793 202 HG3 GLU 25 1HG GLU 25 7.722 22.500 -1.747 203 H ASN 26 H ASN 26 7.184 18.319 -3.433 204 HA ASN 26 HA ASN 26 9.594 16.606 -3.639 205 HB2 ASN 26 2HB ASN 26 7.084 15.510 -2.463 206 HB3 ASN 26 1HB ASN 26 8.746 15.056 -2.148 207 HD21 ASN 26 1HD2 ASN 26 6.209 17.129 -1.474 208 HD22 ASN 26 2HD2 ASN 26 6.752 17.862 -0.025 209 H LEU 27 H LEU 27 9.052 14.557 -4.557 210 HA LEU 27 HA LEU 27 6.823 14.588 -6.470 211 HB2 LEU 27 2HB LEU 27 9.200 14.551 -7.383 212 HB3 LEU 27 1HB LEU 27 9.449 13.047 -6.547 213 HG LEU 27 HG LEU 27 9.164 12.725 -8.960 214 HD11 LEU 27 1HD1 LEU 27 6.873 11.544 -7.417 215 HD12 LEU 27 2HD1 LEU 27 8.490 10.868 -7.581 216 HD13 LEU 27 3HD1 LEU 27 7.437 10.994 -8.992 217 HD21 LEU 27 3HD2 LEU 27 6.400 13.850 -8.584 218 HD22 LEU 27 1HD2 LEU 27 7.029 13.109 -10.054 219 HD23 LEU 27 2HD2 LEU 27 7.737 14.607 -9.453 220 H ILE 28 H ILE 28 5.228 13.200 -5.801 221 HA ILE 28 HA ILE 28 6.037 10.895 -4.170 222 HB ILE 28 HB ILE 28 3.436 12.211 -3.533 223 HG12 ILE 28 2HG1 ILE 28 6.106 13.398 -2.678 224 HG13 ILE 28 1HG1 ILE 28 4.781 14.143 -3.526 225 HG21 ILE 28 1HG2 ILE 28 3.972 11.428 -1.279 226 HG22 ILE 28 2HG2 ILE 28 5.546 10.884 -1.844 227 HG23 ILE 28 3HG2 ILE 28 4.074 10.121 -2.465 228 HD11 ILE 28 3HD1 ILE 28 4.612 13.196 -0.690 229 HD12 ILE 28 1HD1 ILE 28 3.384 14.068 -1.614 230 HD13 ILE 28 2HD1 ILE 28 4.914 14.862 -1.207 231 H LEU 29 H LEU 29 4.590 9.127 -4.428 232 HA LEU 29 HA LEU 29 3.027 9.090 -6.852 233 HB2 LEU 29 2HB LEU 29 3.212 7.095 -4.608 234 HB3 LEU 29 1HB LEU 29 2.491 6.771 -6.159 235 HG LEU 29 HG LEU 29 5.373 7.158 -5.467 236 HD11 LEU 29 1HD1 LEU 29 3.771 4.876 -6.499 237 HD12 LEU 29 2HD1 LEU 29 4.680 5.009 -4.992 238 HD13 LEU 29 3HD1 LEU 29 5.535 4.906 -6.532 239 HD21 LEU 29 3HD2 LEU 29 5.010 8.341 -7.574 240 HD22 LEU 29 1HD2 LEU 29 4.205 6.921 -8.245 241 HD23 LEU 29 2HD2 LEU 29 5.923 6.857 -7.848 242 H GLY 30 H GLY 30 2.465 10.456 -4.019 243 HA2 GLY 30 2HA GLY 30 0.450 11.553 -3.567 244 HA3 GLY 30 1HA GLY 30 -0.360 10.300 -4.474 245 H PHE 31 H PHE 31 0.567 7.991 -3.188 246 HA PHE 31 HA PHE 31 -1.044 8.240 -0.817 247 HB2 PHE 31 2HB PHE 31 -1.380 5.859 -1.004 248 HB3 PHE 31 1HB PHE 31 -1.493 6.574 -2.579 249 HD1 PHE 31 2HD PHE 31 0.201 6.261 -4.265 250 HD2 PHE 31 1HD PHE 31 0.400 4.323 -0.509 251 HE1 PHE 31 2HE PHE 31 1.858 4.688 -5.186 252 HE2 PHE 31 1HE PHE 31 2.047 2.725 -1.400 253 HZ PHE 31 HZ PHE 31 2.790 2.908 -3.747 254 H SER 32 H SER 32 -0.489 6.922 1.078 255 HA SER 32 HA SER 32 2.350 7.110 1.865 256 HB2 SER 32 2HB SER 32 -0.116 7.163 3.578 257 HB3 SER 32 1HB SER 32 1.544 7.337 4.107 258 HG SER 32 HG SER 32 1.042 9.167 2.200 259 H ILE 33 H ILE 33 2.877 5.469 3.573 260 HA ILE 33 HA ILE 33 1.389 2.967 3.198 261 HB ILE 33 HB ILE 33 3.334 1.691 2.958 262 HG12 ILE 33 2HG1 ILE 33 5.005 4.105 3.795 263 HG13 ILE 33 1HG1 ILE 33 4.662 2.684 4.782 264 HG21 ILE 33 1HG2 ILE 33 4.608 2.783 1.138 265 HG22 ILE 33 2HG2 ILE 33 3.776 4.277 1.507 266 HG23 ILE 33 3HG2 ILE 33 2.858 2.880 0.940 267 HD11 ILE 33 3HD1 ILE 33 5.824 1.330 3.023 268 HD12 ILE 33 1HD1 ILE 33 6.844 2.411 3.986 269 HD13 ILE 33 2HD1 ILE 33 6.398 2.864 2.352 270 H GLY 34 H GLY 34 1.908 1.402 4.938 271 HA2 GLY 34 2HA GLY 34 2.170 2.851 7.480 272 HA3 GLY 34 1HA GLY 34 1.267 1.354 7.259 273 H GLY 35 H GLY 35 3.334 0.198 5.603 274 HA2 GLY 35 2HA GLY 35 5.800 -0.264 6.151 275 HA3 GLY 35 1HA GLY 35 5.246 -0.289 7.760 276 H GLY 36 H GLY 36 6.590 -2.333 6.242 277 HA2 GLY 36 2HA GLY 36 4.557 -4.412 6.135 278 HA3 GLY 36 1HA GLY 36 6.159 -4.506 5.426 279 H ILE 37 H ILE 37 7.503 -5.765 6.405 280 HA ILE 37 HA ILE 37 6.810 -7.191 8.734 281 HB ILE 37 HB ILE 37 8.859 -8.376 8.582 282 HG12 ILE 37 2HG1 ILE 37 10.369 -6.363 8.433 283 HG13 ILE 37 1HG1 ILE 37 10.847 -7.658 7.316 284 HG21 ILE 37 1HG2 ILE 37 7.989 -7.571 5.820 285 HG22 ILE 37 2HG2 ILE 37 7.309 -8.862 6.799 286 HG23 ILE 37 3HG2 ILE 37 8.966 -8.993 6.192 287 HD11 ILE 37 3HD1 ILE 37 11.082 -5.492 6.325 288 HD12 ILE 37 1HD1 ILE 37 9.443 -5.065 6.781 289 HD13 ILE 37 2HD1 ILE 37 9.718 -6.293 5.548 290 H ASP 38 H ASP 38 8.548 -4.264 8.358 291 HA ASP 38 HA ASP 38 10.036 -4.281 10.783 292 HB2 ASP 38 2HB ASP 38 10.499 -2.778 8.850 293 HB3 ASP 38 1HB ASP 38 9.007 -1.926 9.170 294 H GLN 39 H GLN 39 6.749 -3.880 10.057 295 HA GLN 39 HA GLN 39 6.189 -2.370 12.515 296 HB2 GLN 39 2HB GLN 39 4.079 -3.083 10.494 297 HB3 GLN 39 1HB GLN 39 4.197 -1.620 11.444 298 HG2 GLN 39 2HG GLN 39 5.832 -2.323 9.106 299 HG3 GLN 39 1HG GLN 39 4.506 -1.172 9.194 300 HE21 GLN 39 1HE2 GLN 39 7.345 -1.079 8.579 301 HE22 GLN 39 2HE2 GLN 39 8.037 0.188 9.503 302 H ASP 40 H ASP 40 4.396 -3.264 13.859 303 HA ASP 40 HA ASP 40 4.526 -6.207 13.832 304 HB2 ASP 40 2HB ASP 40 4.882 -4.574 16.035 305 HB3 ASP 40 1HB ASP 40 3.186 -4.754 15.970 306 HA PRO 41 HA PRO 41 0.434 -5.954 11.953 307 HB2 PRO 41 2HB PRO 41 -0.153 -8.638 12.559 308 HB3 PRO 41 1HB PRO 41 0.511 -8.018 11.047 309 HG2 PRO 41 2HG PRO 41 1.911 -9.298 13.337 310 HG3 PRO 41 1HG PRO 41 2.348 -9.287 11.620 311 HD2 PRO 41 2HD PRO 41 3.678 -7.869 13.388 312 HD3 PRO 41 1HD PRO 41 3.410 -7.292 11.751 313 H SER 42 H SER 42 1.083 -7.068 15.144 314 HA SER 42 HA SER 42 -1.656 -7.284 15.988 315 HB2 SER 42 2HB SER 42 0.821 -7.032 17.665 316 HB3 SER 42 1HB SER 42 -0.738 -7.687 18.176 317 HG SER 42 HG SER 42 1.289 -8.830 16.741 318 H GLN 43 H GLN 43 0.338 -4.594 15.425 319 HA GLN 43 HA GLN 43 -1.466 -2.894 17.007 320 HB2 GLN 43 2HB GLN 43 0.457 -1.462 17.599 321 HB3 GLN 43 1HB GLN 43 0.602 -3.064 18.287 322 HG2 GLN 43 2HG GLN 43 1.968 -3.226 15.925 323 HG3 GLN 43 1HG GLN 43 2.247 -1.558 16.401 324 HE21 GLN 43 1HE2 GLN 43 1.784 -4.344 18.440 325 HE22 GLN 43 2HE2 GLN 43 3.311 -4.298 19.220 326 H ASN 44 H ASN 44 -0.860 -3.751 14.187 327 HA ASN 44 HA ASN 44 -0.421 -1.158 12.859 328 HB2 ASN 44 2HB ASN 44 -0.437 -3.954 12.016 329 HB3 ASN 44 1HB ASN 44 -0.517 -2.710 10.775 330 HD21 ASN 44 1HD2 ASN 44 1.445 -4.593 10.816 331 HD22 ASN 44 2HD2 ASN 44 2.935 -3.913 11.329 332 HA PRO 45 HA PRO 45 -4.648 -0.610 11.962 333 HB2 PRO 45 2HB PRO 45 -4.511 0.960 9.794 334 HB3 PRO 45 1HB PRO 45 -3.983 1.501 11.397 335 HG2 PRO 45 2HG PRO 45 -2.319 0.417 9.138 336 HG3 PRO 45 1HG PRO 45 -2.042 1.892 10.105 337 HD2 PRO 45 2HD PRO 45 -0.808 -0.453 10.572 338 HD3 PRO 45 1HD PRO 45 -1.245 0.666 11.882 339 H PHE 46 H PHE 46 -2.790 -1.452 8.983 340 HA PHE 46 HA PHE 46 -5.224 -2.839 8.090 341 HB2 PHE 46 2HB PHE 46 -3.015 -1.708 6.352 342 HB3 PHE 46 1HB PHE 46 -4.527 -2.419 5.792 343 HD1 PHE 46 1HD PHE 46 -6.692 -1.264 6.332 344 HD2 PHE 46 2HD PHE 46 -2.903 0.544 7.015 345 HE1 PHE 46 1HE PHE 46 -7.767 0.953 6.484 346 HE2 PHE 46 2HE PHE 46 -3.984 2.749 7.174 347 HZ PHE 46 HZ PHE 46 -6.391 2.951 6.911 348 H SER 47 H SER 47 -2.630 -3.552 9.572 349 HA SER 47 HA SER 47 -1.910 -5.937 7.983 350 HB2 SER 47 2HB SER 47 -0.168 -4.221 8.986 351 HB3 SER 47 1HB SER 47 -0.659 -4.942 10.478 352 HG SER 47 HG SER 47 0.097 -6.892 8.702 353 H GLU 48 H GLU 48 -3.966 -4.890 10.336 354 HA GLU 48 HA GLU 48 -3.703 -7.031 12.208 355 HB2 GLU 48 2HB GLU 48 -5.658 -6.013 13.303 356 HB3 GLU 48 1HB GLU 48 -4.339 -4.872 13.026 357 HG2 GLU 48 2HG GLU 48 -5.526 -3.955 11.118 358 HG3 GLU 48 1HG GLU 48 -6.826 -5.124 11.347 359 H ASP 49 H ASP 49 -4.807 -6.906 9.279 360 HA ASP 49 HA ASP 49 -7.372 -8.072 9.135 361 HB2 ASP 49 2HB ASP 49 -6.360 -7.100 7.182 362 HB3 ASP 49 1HB ASP 49 -4.961 -8.138 7.325 363 H LYS 50 H LYS 50 -4.176 -9.388 9.396 364 HA LYS 50 HA LYS 50 -5.148 -11.393 11.058 365 HB2 LYS 50 2HB LYS 50 -3.890 -13.322 9.904 366 HB3 LYS 50 1HB LYS 50 -5.456 -12.901 9.270 367 HG2 LYS 50 2HG LYS 50 -2.967 -11.778 8.056 368 HG3 LYS 50 1HG LYS 50 -3.469 -13.427 7.641 369 HD2 LYS 50 2HD LYS 50 -5.002 -10.852 7.224 370 HD3 LYS 50 1HD LYS 50 -4.224 -11.822 5.975 371 HE2 LYS 50 2HE LYS 50 -5.789 -13.676 6.498 372 HE3 LYS 50 1HE LYS 50 -6.569 -12.652 7.697 373 HZ1 LYS 50 3HZ LYS 50 -6.499 -12.201 4.765 374 HZ2 LYS 50 1HZ LYS 50 -7.108 -11.083 5.893 375 HZ3 LYS 50 2HZ LYS 50 -7.814 -12.612 5.731 376 H THR 51 H THR 51 -2.073 -12.295 9.818 377 HA THR 51 HA THR 51 -0.751 -10.534 11.743 378 HB THR 51 HB THR 51 0.759 -12.489 12.258 379 HG1 THR 51 1HG THR 51 0.469 -13.943 10.668 380 HG21 THR 51 3HG2 THR 51 -1.051 -11.914 13.784 381 HG22 THR 51 1HG2 THR 51 -0.860 -13.678 13.711 382 HG23 THR 51 2HG2 THR 51 -2.153 -12.880 12.798 383 H ASP 52 H ASP 52 -1.250 -10.601 8.809 384 HA ASP 52 HA ASP 52 1.223 -11.523 7.701 385 HB2 ASP 52 2HB ASP 52 0.170 -11.338 5.576 386 HB3 ASP 52 1HB ASP 52 -0.948 -12.117 6.671 387 H LYS 53 H LYS 53 2.702 -10.325 6.838 388 HA LYS 53 HA LYS 53 2.708 -7.479 7.511 389 HB2 LYS 53 2HB LYS 53 4.933 -9.152 6.366 390 HB3 LYS 53 1HB LYS 53 5.055 -7.583 7.141 391 HG2 LYS 53 2HG LYS 53 4.154 -10.057 8.563 392 HG3 LYS 53 1HG LYS 53 5.828 -9.594 8.562 393 HD2 LYS 53 2HD LYS 53 4.860 -7.359 9.486 394 HD3 LYS 53 1HD LYS 53 3.518 -8.424 9.925 395 HE2 LYS 53 2HE LYS 53 6.421 -8.799 10.625 396 HE3 LYS 53 1HE LYS 53 5.128 -8.400 11.745 397 HZ1 LYS 53 3HZ LYS 53 5.653 -10.743 11.901 398 HZ2 LYS 53 1HZ LYS 53 5.450 -10.967 10.252 399 HZ3 LYS 53 2HZ LYS 53 4.126 -10.636 11.232 400 H GLY 54 H GLY 54 3.935 -6.158 5.849 401 HA2 GLY 54 2HA GLY 54 4.620 -6.392 3.383 402 HA3 GLY 54 1HA GLY 54 2.891 -6.668 3.170 403 H ILE 55 H ILE 55 4.307 -4.473 2.090 404 HA ILE 55 HA ILE 55 3.717 -2.218 3.732 405 HB ILE 55 HB ILE 55 4.667 -2.405 0.855 406 HG12 ILE 55 2HG1 ILE 55 6.234 -3.209 2.638 407 HG13 ILE 55 1HG1 ILE 55 6.863 -1.848 1.729 408 HG21 ILE 55 1HG2 ILE 55 3.442 -0.339 1.173 409 HG22 ILE 55 2HG2 ILE 55 5.171 0.047 1.115 410 HG23 ILE 55 3HG2 ILE 55 4.311 -0.030 2.660 411 HD11 ILE 55 3HD1 ILE 55 7.309 -1.685 4.103 412 HD12 ILE 55 1HD1 ILE 55 5.570 -1.686 4.415 413 HD13 ILE 55 2HD1 ILE 55 6.300 -0.366 3.509 414 H TYR 56 H TYR 56 1.810 -1.415 3.908 415 HA TYR 56 HA TYR 56 -0.025 -1.653 1.676 416 HB2 TYR 56 2HB TYR 56 -1.793 -1.456 3.594 417 HB3 TYR 56 1HB TYR 56 -1.056 -3.017 3.240 418 HD1 TYR 56 2HD TYR 56 -0.862 -0.095 5.515 419 HD2 TYR 56 1HD TYR 56 0.227 -4.101 4.756 420 HE1 TYR 56 2HE TYR 56 0.008 -0.272 7.789 421 HE2 TYR 56 1HE TYR 56 1.146 -4.318 6.937 422 HH TYR 56 HH TYR 56 1.995 -2.849 8.666 423 H VAL 57 H VAL 57 -1.512 -0.040 1.500 424 HA VAL 57 HA VAL 57 -0.349 2.543 1.917 425 HB VAL 57 HB VAL 57 -1.365 1.948 -0.257 426 HG11 VAL 57 1HG1 VAL 57 -3.707 1.682 -0.528 427 HG12 VAL 57 2HG1 VAL 57 -3.884 1.670 1.224 428 HG13 VAL 57 3HG1 VAL 57 -2.962 0.399 0.424 429 HG21 VAL 57 3HG2 VAL 57 -3.029 4.032 1.108 430 HG22 VAL 57 1HG2 VAL 57 -2.729 3.871 -0.617 431 HG23 VAL 57 2HG2 VAL 57 -1.411 4.312 0.480 432 H THR 58 H THR 58 -0.949 4.033 3.439 433 HA THR 58 HA THR 58 -3.144 3.254 5.186 434 HB THR 58 HB THR 58 -1.951 4.975 6.688 435 HG1 THR 58 1HG THR 58 0.346 5.001 6.111 436 HG21 THR 58 3HG2 THR 58 -0.338 3.211 7.420 437 HG22 THR 58 1HG2 THR 58 -0.656 2.344 5.925 438 HG23 THR 58 2HG2 THR 58 -1.941 2.553 7.112 439 H ARG 59 H ARG 59 -2.122 5.517 2.919 440 HA ARG 59 HA ARG 59 -4.577 7.058 3.088 441 HB2 ARG 59 2HB ARG 59 -1.820 8.113 3.442 442 HB3 ARG 59 1HB ARG 59 -3.085 9.139 2.788 443 HG2 ARG 59 2HG ARG 59 -4.273 8.723 4.988 444 HG3 ARG 59 1HG ARG 59 -2.802 7.904 5.526 445 HD2 ARG 59 2HD ARG 59 -3.038 10.775 4.632 446 HD3 ARG 59 1HD ARG 59 -2.799 10.217 6.286 447 HE ARG 59 HE ARG 59 -0.744 9.367 4.444 448 HH11 ARG 59 1HH1 ARG 59 -1.766 12.023 6.527 449 HH12 ARG 59 2HH1 ARG 59 -0.189 12.594 6.819 450 HH21 ARG 59 1HH2 ARG 59 1.384 10.155 4.767 451 HH22 ARG 59 2HH2 ARG 59 1.663 11.501 5.789 452 H VAL 60 H VAL 60 -5.147 7.481 0.733 453 HA VAL 60 HA VAL 60 -2.983 7.027 -0.945 454 HB VAL 60 HB VAL 60 -4.576 6.967 -2.516 455 HG11 VAL 60 1HG1 VAL 60 -4.195 4.879 -1.515 456 HG12 VAL 60 2HG1 VAL 60 -5.930 4.948 -1.832 457 HG13 VAL 60 3HG1 VAL 60 -5.315 5.225 -0.199 458 HG21 VAL 60 3HG2 VAL 60 -6.656 7.666 -0.500 459 HG22 VAL 60 1HG2 VAL 60 -7.048 6.961 -2.092 460 HG23 VAL 60 2HG2 VAL 60 -6.182 8.486 -2.018 461 H SER 61 H SER 61 -3.535 8.581 -2.922 462 HA SER 61 HA SER 61 -3.064 11.201 -1.920 463 HB2 SER 61 2HB SER 61 -2.189 10.068 -4.090 464 HB3 SER 61 1HB SER 61 -3.756 10.501 -4.749 465 HG SER 61 HG SER 61 -2.411 12.539 -3.426 466 H GLU 62 H GLU 62 -4.640 12.549 -1.410 467 HA GLU 62 HA GLU 62 -7.333 11.856 -1.284 468 HB2 GLU 62 2HB GLU 62 -7.708 14.158 -0.553 469 HB3 GLU 62 1HB GLU 62 -6.294 13.443 0.210 470 HG2 GLU 62 2HG GLU 62 -4.858 14.626 -1.389 471 HG3 GLU 62 1HG GLU 62 -6.287 15.375 -2.090 472 H GLY 63 H GLY 63 -5.629 13.166 -3.886 473 HA2 GLY 63 2HA GLY 63 -7.839 13.065 -5.631 474 HA3 GLY 63 1HA GLY 63 -7.386 14.746 -5.292 475 H GLY 64 H GLY 64 -5.591 11.773 -5.618 476 HA2 GLY 64 2HA GLY 64 -3.964 13.064 -7.698 477 HA3 GLY 64 1HA GLY 64 -3.246 12.295 -6.283 478 HA PRO 65 HA PRO 65 -3.337 9.544 -10.023 479 HB2 PRO 65 2HB PRO 65 -0.919 8.384 -9.508 480 HB3 PRO 65 1HB PRO 65 -1.065 9.874 -10.419 481 HG2 PRO 65 2HG PRO 65 -0.385 9.485 -7.553 482 HG3 PRO 65 1HG PRO 65 0.288 10.630 -8.726 483 HD2 PRO 65 2HD PRO 65 -1.501 11.318 -6.861 484 HD3 PRO 65 1HD PRO 65 -1.475 12.112 -8.460 485 H ALA 66 H ALA 66 -2.471 8.813 -6.776 486 HA ALA 66 HA ALA 66 -2.637 6.052 -6.762 487 HB1 ALA 66 1HB ALA 66 -2.999 6.191 -4.355 488 HB2 ALA 66 2HB ALA 66 -3.416 7.897 -4.522 489 HB3 ALA 66 3HB ALA 66 -1.776 7.352 -4.879 490 H GLU 67 H GLU 67 -5.262 8.301 -5.726 491 HA GLU 67 HA GLU 67 -7.149 6.172 -5.754 492 HB2 GLU 67 2HB GLU 67 -8.885 7.841 -5.358 493 HB3 GLU 67 1HB GLU 67 -7.523 8.093 -4.285 494 HG2 GLU 67 2HG GLU 67 -7.217 10.154 -5.015 495 HG3 GLU 67 1HG GLU 67 -7.299 9.714 -6.709 496 H ILE 68 H ILE 68 -6.121 8.514 -8.101 497 HA ILE 68 HA ILE 68 -8.213 8.292 -9.948 498 HB ILE 68 HB ILE 68 -5.306 8.986 -10.301 499 HG12 ILE 68 2HG1 ILE 68 -6.492 10.630 -9.004 500 HG13 ILE 68 1HG1 ILE 68 -6.142 11.296 -10.593 501 HG21 ILE 68 1HG2 ILE 68 -5.842 9.911 -12.521 502 HG22 ILE 68 2HG2 ILE 68 -7.450 9.176 -12.401 503 HG23 ILE 68 3HG2 ILE 68 -6.010 8.158 -12.415 504 HD11 ILE 68 3HD1 ILE 68 -8.347 11.937 -9.880 505 HD12 ILE 68 1HD1 ILE 68 -8.799 10.251 -9.639 506 HD13 ILE 68 2HD1 ILE 68 -8.455 10.852 -11.260 507 H ALA 69 H ALA 69 -5.278 6.417 -9.573 508 HA ALA 69 HA ALA 69 -5.824 4.778 -11.850 509 HB1 ALA 69 1HB ALA 69 -3.894 4.452 -9.573 510 HB2 ALA 69 2HB ALA 69 -3.544 5.159 -11.152 511 HB3 ALA 69 3HB ALA 69 -3.938 3.449 -11.015 512 H GLY 70 H GLY 70 -5.770 4.136 -8.363 513 HA2 GLY 70 2HA GLY 70 -8.166 2.994 -7.938 514 HA3 GLY 70 1HA GLY 70 -7.357 1.718 -8.826 515 H LEU 71 H LEU 71 -5.456 3.672 -6.684 516 HA LEU 71 HA LEU 71 -5.113 1.380 -4.954 517 HB2 LEU 71 2HB LEU 71 -3.143 2.534 -5.772 518 HB3 LEU 71 1HB LEU 71 -3.700 4.064 -5.137 519 HG LEU 71 HG LEU 71 -2.849 3.538 -2.984 520 HD11 LEU 71 1HD1 LEU 71 -2.417 1.210 -2.282 521 HD12 LEU 71 2HD1 LEU 71 -2.878 0.625 -3.885 522 HD13 LEU 71 3HD1 LEU 71 -4.093 1.329 -2.819 523 HD21 LEU 71 3HD2 LEU 71 -1.116 3.674 -4.654 524 HD22 LEU 71 1HD2 LEU 71 -1.220 1.934 -4.920 525 HD23 LEU 71 2HD2 LEU 71 -0.700 2.559 -3.354 526 H GLN 72 H GLN 72 -6.241 1.111 -3.164 527 HA GLN 72 HA GLN 72 -7.656 3.442 -2.066 528 HB2 GLN 72 2HB GLN 72 -8.462 0.520 -2.034 529 HB3 GLN 72 1HB GLN 72 -9.379 1.857 -1.349 530 HG2 GLN 72 2HG GLN 72 -8.730 1.532 -4.269 531 HG3 GLN 72 1HG GLN 72 -10.257 1.077 -3.514 532 HE21 GLN 72 1HE2 GLN 72 -8.158 3.720 -4.281 533 HE22 GLN 72 2HE2 GLN 72 -9.338 4.964 -4.260 534 H ILE 73 H ILE 73 -7.516 3.740 0.056 535 HA ILE 73 HA ILE 73 -5.370 2.909 1.589 536 HB ILE 73 HB ILE 73 -8.095 3.720 2.665 537 HG12 ILE 73 2HG1 ILE 73 -5.593 5.321 2.104 538 HG13 ILE 73 1HG1 ILE 73 -7.107 5.432 1.220 539 HG21 ILE 73 1HG2 ILE 73 -6.800 2.592 4.368 540 HG22 ILE 73 2HG2 ILE 73 -6.929 4.317 4.713 541 HG23 ILE 73 3HG2 ILE 73 -5.432 3.658 4.049 542 HD11 ILE 73 3HD1 ILE 73 -6.657 6.171 4.092 543 HD12 ILE 73 1HD1 ILE 73 -8.206 6.283 3.252 544 HD13 ILE 73 2HD1 ILE 73 -6.846 7.293 2.746 545 H GLY 74 H GLY 74 -4.773 1.043 2.643 546 HA2 GLY 74 2HA GLY 74 -5.270 -0.802 4.041 547 HA3 GLY 74 1HA GLY 74 -6.894 -0.835 3.369 548 H ASP 75 H ASP 75 -4.950 -0.312 0.762 549 HA ASP 75 HA ASP 75 -5.093 -3.082 -0.021 550 HB2 ASP 75 2HB ASP 75 -4.137 -0.602 -1.474 551 HB3 ASP 75 1HB ASP 75 -3.959 -2.208 -2.147 552 H LYS 76 H LYS 76 -3.531 -4.459 -0.060 553 HA LYS 76 HA LYS 76 -1.019 -3.660 1.172 554 HB2 LYS 76 2HB LYS 76 -2.169 -6.410 0.600 555 HB3 LYS 76 1HB LYS 76 -0.678 -6.072 1.476 556 HG2 LYS 76 2HG LYS 76 -1.878 -5.012 3.258 557 HG3 LYS 76 1HG LYS 76 -3.392 -5.131 2.367 558 HD2 LYS 76 2HD LYS 76 -3.330 -7.552 2.527 559 HD3 LYS 76 1HD LYS 76 -1.744 -7.484 3.298 560 HE2 LYS 76 2HE LYS 76 -2.701 -6.298 5.201 561 HE3 LYS 76 1HE LYS 76 -4.282 -6.300 4.422 562 HZ1 LYS 76 3HZ LYS 76 -2.894 -8.842 4.924 563 HZ2 LYS 76 1HZ LYS 76 -4.552 -8.599 4.876 564 HZ3 LYS 76 2HZ LYS 76 -3.596 -8.131 6.193 565 H ILE 77 H ILE 77 0.506 -3.042 -0.206 566 HA ILE 77 HA ILE 77 0.344 -3.787 -2.982 567 HB ILE 77 HB ILE 77 2.603 -2.211 -1.702 568 HG12 ILE 77 2HG1 ILE 77 1.420 -0.159 -2.769 569 HG13 ILE 77 1HG1 ILE 77 -0.038 -1.128 -2.739 570 HG21 ILE 77 1HG2 ILE 77 1.598 -2.388 -4.519 571 HG22 ILE 77 2HG2 ILE 77 3.075 -3.099 -3.867 572 HG23 ILE 77 3HG2 ILE 77 2.905 -1.343 -3.963 573 HD11 ILE 77 3HD1 ILE 77 1.611 -0.419 -0.334 574 HD12 ILE 77 1HD1 ILE 77 0.073 -1.270 -0.344 575 HD13 ILE 77 2HD1 ILE 77 0.148 0.424 -0.849 576 H MET 78 H MET 78 1.425 -5.401 -3.876 577 HA MET 78 HA MET 78 3.437 -6.695 -2.203 578 HB2 MET 78 2HB MET 78 1.536 -7.932 -4.186 579 HB3 MET 78 1HB MET 78 2.853 -8.812 -3.417 580 HG2 MET 78 2HG MET 78 0.540 -7.485 -2.023 581 HG3 MET 78 1HG MET 78 0.774 -9.218 -2.255 582 HE1 MET 78 3HE MET 78 0.342 -7.448 0.465 583 HE2 MET 78 1HE MET 78 1.383 -8.299 1.605 584 HE3 MET 78 2HE MET 78 0.321 -9.219 0.524 585 H GLN 79 H GLN 79 3.074 -4.919 -4.992 586 HA GLN 79 HA GLN 79 5.724 -5.576 -5.893 587 HB2 GLN 79 2HB GLN 79 4.286 -7.342 -6.868 588 HB3 GLN 79 1HB GLN 79 3.291 -6.125 -7.604 589 HG2 GLN 79 2HG GLN 79 6.186 -6.507 -8.308 590 HG3 GLN 79 1HG GLN 79 4.897 -7.432 -9.059 591 HE21 GLN 79 1HE2 GLN 79 6.526 -4.486 -8.896 592 HE22 GLN 79 2HE2 GLN 79 5.618 -3.684 -10.166 593 H VAL 80 H VAL 80 6.643 -3.794 -6.929 594 HA VAL 80 HA VAL 80 5.009 -1.474 -7.652 595 HB VAL 80 HB VAL 80 7.147 -1.426 -5.484 596 HG11 VAL 80 1HG1 VAL 80 6.044 1.002 -6.912 597 HG12 VAL 80 2HG1 VAL 80 7.694 0.401 -6.969 598 HG13 VAL 80 3HG1 VAL 80 7.036 1.014 -5.455 599 HG21 VAL 80 3HG2 VAL 80 4.267 -0.526 -5.515 600 HG22 VAL 80 1HG2 VAL 80 5.420 -0.176 -4.226 601 HG23 VAL 80 2HG2 VAL 80 4.996 -1.834 -4.609 602 H ASN 81 H ASN 81 5.677 -1.063 -9.641 603 HA ASN 81 HA ASN 81 6.913 -0.748 -11.485 604 HB2 ASN 81 2HB ASN 81 7.700 1.111 -9.813 605 HB3 ASN 81 1HB ASN 81 9.223 0.219 -9.856 606 HD21 ASN 81 1HD2 ASN 81 6.984 1.925 -11.570 607 HD22 ASN 81 2HD2 ASN 81 7.827 2.410 -12.985 608 H GLY 82 H GLY 82 6.953 -3.098 -11.236 609 HA2 GLY 82 2HA GLY 82 7.869 -5.027 -11.789 610 HA3 GLY 82 1HA GLY 82 9.375 -4.204 -12.239 611 H TRP 83 H TRP 83 9.172 -3.355 -9.181 612 HA TRP 83 HA TRP 83 10.715 -5.617 -8.225 613 HB2 TRP 83 2HB TRP 83 11.945 -3.950 -7.293 614 HB3 TRP 83 1HB TRP 83 10.805 -2.782 -7.920 615 HD1 TRP 83 HD TRP 83 8.596 -2.493 -6.069 616 HE1 TRP 83 1HE TRP 83 8.847 -2.032 -3.483 617 HE3 TRP 83 3HE TRP 83 13.351 -4.169 -5.361 618 HZ2 TRP 83 2HZ TRP 83 10.742 -2.288 -1.562 619 HZ3 TRP 83 3HZ TRP 83 14.329 -4.014 -3.103 620 HH2 TRP 83 HH TRP 83 13.049 -3.093 -1.234 621 H ASP 84 H ASP 84 10.251 -6.538 -6.087 622 HA ASP 84 HA ASP 84 7.389 -6.743 -5.689 623 HB2 ASP 84 2HB ASP 84 7.787 -8.711 -4.373 624 HB3 ASP 84 1HB ASP 84 8.778 -8.833 -5.814 625 H MET 85 H MET 85 6.355 -6.075 -3.987 626 HA MET 85 HA MET 85 7.837 -4.481 -1.978 627 HB2 MET 85 2HB MET 85 6.411 -3.159 -3.513 628 HB3 MET 85 1HB MET 85 5.020 -4.130 -3.073 629 HG2 MET 85 2HG MET 85 4.851 -2.051 -1.933 630 HG3 MET 85 1HG MET 85 5.263 -3.301 -0.757 631 HE1 MET 85 3HE MET 85 6.419 0.065 -2.439 632 HE2 MET 85 1HE MET 85 7.392 -1.116 -3.319 633 HE3 MET 85 2HE MET 85 8.160 -0.003 -2.190 634 H THR 86 H THR 86 6.416 -7.316 -2.415 635 HA THR 86 HA THR 86 4.509 -7.635 -0.413 636 HB THR 86 HB THR 86 4.704 -9.203 -2.273 637 HG1 THR 86 1HG THR 86 3.699 -9.941 -0.437 638 HG21 THR 86 3HG2 THR 86 7.158 -9.322 -2.464 639 HG22 THR 86 1HG2 THR 86 6.451 -10.934 -2.332 640 HG23 THR 86 2HG2 THR 86 7.230 -10.194 -0.935 641 H MET 87 H MET 87 7.999 -7.897 -0.194 642 HA MET 87 HA MET 87 7.721 -8.108 2.682 643 HB2 MET 87 2HB MET 87 8.060 -10.423 1.975 644 HB3 MET 87 1HB MET 87 9.463 -9.954 1.034 645 HG2 MET 87 2HG MET 87 10.662 -9.372 3.067 646 HG3 MET 87 1HG MET 87 9.241 -9.754 4.035 647 HE1 MET 87 3HE MET 87 8.952 -13.624 3.661 648 HE2 MET 87 1HE MET 87 8.118 -12.407 2.701 649 HE3 MET 87 2HE MET 87 8.310 -12.175 4.435 650 H VAL 88 H VAL 88 8.324 -6.039 2.843 651 HA VAL 88 HA VAL 88 11.134 -5.507 2.626 652 HB VAL 88 HB VAL 88 10.315 -5.007 0.352 653 HG11 VAL 88 1HG1 VAL 88 8.482 -3.062 1.716 654 HG12 VAL 88 2HG1 VAL 88 8.000 -4.488 0.820 655 HG13 VAL 88 3HG1 VAL 88 8.755 -3.139 -0.016 656 HG21 VAL 88 3HG2 VAL 88 11.037 -2.589 1.982 657 HG22 VAL 88 1HG2 VAL 88 11.142 -2.677 0.228 658 HG23 VAL 88 2HG2 VAL 88 12.156 -3.718 1.223 659 H THR 89 H THR 89 11.741 -3.711 3.844 660 HA THR 89 HA THR 89 10.096 -3.159 6.059 661 HB THR 89 HB THR 89 11.959 -1.381 6.386 662 HG1 THR 89 1HG THR 89 13.572 -2.990 4.835 663 HG21 THR 89 3HG2 THR 89 13.392 -3.037 7.398 664 HG22 THR 89 1HG2 THR 89 12.702 -4.312 6.383 665 HG23 THR 89 2HG2 THR 89 11.711 -3.529 7.606 666 H HIS 90 H HIS 90 9.422 -1.148 6.690 667 HA HIS 90 HA HIS 90 7.923 0.389 4.937 668 HB2 HIS 90 2HB HIS 90 7.683 0.346 7.377 669 HB3 HIS 90 1HB HIS 90 9.191 1.204 7.561 670 HD1 HIS 90 1HD HIS 90 5.607 1.773 7.487 671 HD2 HIS 90 2HD HIS 90 8.958 3.920 6.324 672 HE1 HIS 90 1HE HIS 90 4.798 4.024 7.043 673 H ASP 91 H ASP 91 11.194 0.891 6.181 674 HA ASP 91 HA ASP 91 11.715 3.410 5.085 675 HB2 ASP 91 2HB ASP 91 12.970 2.158 6.857 676 HB3 ASP 91 1HB ASP 91 13.701 1.221 5.578 677 H GLN 92 H GLN 92 12.460 0.162 3.858 678 HA GLN 92 HA GLN 92 13.785 1.167 1.548 679 HB2 GLN 92 2HB GLN 92 13.163 -1.473 2.650 680 HB3 GLN 92 1HB GLN 92 13.174 -1.432 0.902 681 HG2 GLN 92 2HG GLN 92 15.363 -2.070 1.744 682 HG3 GLN 92 1HG GLN 92 15.460 -0.506 0.951 683 HE21 GLN 92 1HE2 GLN 92 14.294 -1.114 4.238 684 HE22 GLN 92 2HE2 GLN 92 15.548 -0.250 5.022 685 H ALA 93 H ALA 93 10.561 0.223 2.276 686 HA ALA 93 HA ALA 93 9.537 0.215 -0.359 687 HB1 ALA 93 1HB ALA 93 8.145 0.773 2.238 688 HB2 ALA 93 2HB ALA 93 8.527 -0.810 1.591 689 HB3 ALA 93 3HB ALA 93 7.402 0.243 0.719 690 H ARG 94 H ARG 94 9.710 2.590 2.224 691 HA ARG 94 HA ARG 94 8.384 4.688 1.057 692 HB2 ARG 94 2HB ARG 94 10.594 4.482 3.035 693 HB3 ARG 94 1HB ARG 94 10.103 6.095 2.506 694 HG2 ARG 94 2HG ARG 94 8.234 4.049 3.666 695 HG3 ARG 94 1HG ARG 94 9.125 5.211 4.644 696 HD2 ARG 94 2HD ARG 94 7.325 5.950 2.379 697 HD3 ARG 94 1HD ARG 94 6.785 5.905 4.073 698 HE ARG 94 HE ARG 94 9.143 7.493 3.522 699 HH11 ARG 94 1HH1 ARG 94 5.605 7.634 3.842 700 HH12 ARG 94 2HH1 ARG 94 5.590 9.311 4.118 701 HH21 ARG 94 1HH2 ARG 94 9.099 9.754 3.873 702 HH22 ARG 94 2HH2 ARG 94 7.602 10.549 4.104 703 H LYS 95 H LYS 95 11.675 3.672 0.824 704 HA LYS 95 HA LYS 95 12.557 5.780 -0.931 705 HB2 LYS 95 2HB LYS 95 13.988 4.695 0.838 706 HB3 LYS 95 1HB LYS 95 13.924 3.205 -0.079 707 HG2 LYS 95 2HG LYS 95 16.050 4.409 -0.364 708 HG3 LYS 95 1HG LYS 95 15.179 4.232 -1.887 709 HD2 LYS 95 2HD LYS 95 14.420 6.523 -1.773 710 HD3 LYS 95 1HD LYS 95 15.115 6.713 -0.161 711 HE2 LYS 95 2HE LYS 95 16.498 7.732 -1.939 712 HE3 LYS 95 1HE LYS 95 17.342 6.473 -1.050 713 HZ1 LYS 95 3HZ LYS 95 16.036 6.048 -3.687 714 HZ2 LYS 95 1HZ LYS 95 17.003 4.961 -2.852 715 HZ3 LYS 95 2HZ LYS 95 17.666 6.373 -3.483 716 H ARG 96 H ARG 96 10.338 4.029 -1.710 717 HA ARG 96 HA ARG 96 11.399 3.414 -4.255 718 HB2 ARG 96 2HB ARG 96 11.250 1.200 -3.031 719 HB3 ARG 96 1HB ARG 96 9.506 1.433 -2.969 720 HG2 ARG 96 2HG ARG 96 9.917 -0.000 -4.817 721 HG3 ARG 96 1HG ARG 96 9.549 1.592 -5.497 722 HD2 ARG 96 2HD ARG 96 12.112 1.953 -5.411 723 HD3 ARG 96 1HD ARG 96 12.178 0.207 -5.243 724 HE ARG 96 HE ARG 96 10.931 1.552 -7.554 725 HH11 ARG 96 1HH1 ARG 96 13.056 -1.008 -6.245 726 HH12 ARG 96 2HH1 ARG 96 13.507 -1.574 -7.783 727 HH21 ARG 96 1HH2 ARG 96 11.659 0.853 -9.620 728 HH22 ARG 96 2HH2 ARG 96 12.690 -0.492 -9.764 729 H LEU 97 H LEU 97 8.547 3.742 -2.243 730 HA LEU 97 HA LEU 97 7.100 4.612 -4.609 731 HB2 LEU 97 2HB LEU 97 5.128 4.558 -2.980 732 HB3 LEU 97 1HB LEU 97 5.815 3.060 -3.608 733 HG LEU 97 HG LEU 97 7.131 2.988 -1.441 734 HD11 LEU 97 1HD1 LEU 97 6.177 4.135 0.470 735 HD12 LEU 97 2HD1 LEU 97 5.058 4.991 -0.595 736 HD13 LEU 97 3HD1 LEU 97 6.795 5.273 -0.728 737 HD21 LEU 97 3HD2 LEU 97 4.189 2.788 -1.204 738 HD22 LEU 97 1HD2 LEU 97 5.417 1.855 -0.357 739 HD23 LEU 97 2HD2 LEU 97 5.174 1.625 -2.109 740 H THR 98 H THR 98 8.255 5.988 -1.646 741 HA THR 98 HA THR 98 7.088 8.439 -2.710 742 HB THR 98 HB THR 98 6.370 7.975 -0.393 743 HG1 THR 98 1HG THR 98 7.979 10.229 -0.862 744 HG21 THR 98 3HG2 THR 98 9.274 8.314 0.285 745 HG22 THR 98 1HG2 THR 98 8.318 6.839 0.409 746 HG23 THR 98 2HG2 THR 98 7.950 8.210 1.457 747 H LYS 99 H LYS 99 9.657 6.853 -3.269 748 HA LYS 99 HA LYS 99 11.748 8.684 -2.948 749 HB2 LYS 99 2HB LYS 99 12.791 7.553 -4.867 750 HB3 LYS 99 1HB LYS 99 12.122 6.374 -3.731 751 HG2 LYS 99 2HG LYS 99 10.451 5.800 -5.095 752 HG3 LYS 99 1HG LYS 99 10.471 7.310 -6.021 753 HD2 LYS 99 2HD LYS 99 11.332 5.710 -7.495 754 HD3 LYS 99 1HD LYS 99 12.765 6.504 -6.856 755 HE2 LYS 99 2HE LYS 99 13.110 4.603 -5.341 756 HE3 LYS 99 1HE LYS 99 11.564 3.962 -5.962 757 HZ1 LYS 99 3HZ LYS 99 12.413 3.555 -8.022 758 HZ2 LYS 99 1HZ LYS 99 13.554 2.922 -6.978 759 HZ3 LYS 99 2HZ LYS 99 13.876 4.368 -7.761 760 H ARG 100 H ARG 100 12.731 9.715 -5.125 761 HA ARG 100 HA ARG 100 10.568 11.118 -6.584 762 HB2 ARG 100 2HB ARG 100 12.079 13.132 -6.531 763 HB3 ARG 100 1HB ARG 100 11.388 12.674 -4.982 764 HG2 ARG 100 2HG ARG 100 13.451 11.507 -4.424 765 HG3 ARG 100 1HG ARG 100 14.141 12.029 -5.956 766 HD2 ARG 100 2HD ARG 100 13.977 14.353 -5.246 767 HD3 ARG 100 1HD ARG 100 13.119 13.869 -3.781 768 HE ARG 100 HE ARG 100 15.898 13.117 -4.365 769 HH11 ARG 100 1HH1 ARG 100 13.424 14.208 -2.032 770 HH12 ARG 100 2HH1 ARG 100 14.481 14.257 -0.716 771 HH21 ARG 100 1HH2 ARG 100 17.352 13.167 -2.497 772 HH22 ARG 100 2HH2 ARG 100 16.749 13.652 -0.983 773 H SER 101 H SER 101 12.666 8.918 -7.059 774 HA SER 101 HA SER 101 14.181 9.985 -9.315 775 HB2 SER 101 2HB SER 101 14.095 7.289 -8.024 776 HB3 SER 101 1HB SER 101 15.290 7.810 -9.202 777 HG SER 101 HG SER 101 15.794 9.503 -7.646 778 H GLU 102 H GLU 102 11.550 7.908 -8.618 779 HA GLU 102 HA GLU 102 11.324 6.907 -11.417 780 HB2 GLU 102 2HB GLU 102 11.801 5.384 -9.365 781 HB3 GLU 102 1HB GLU 102 10.136 5.758 -8.928 782 HG2 GLU 102 2HG GLU 102 9.292 4.447 -10.599 783 HG3 GLU 102 1HG GLU 102 10.784 4.522 -11.547 784 H GLU 103 H GLU 103 9.849 7.711 -12.529 785 HA GLU 103 HA GLU 103 7.993 9.520 -11.351 786 HB2 GLU 103 2HB GLU 103 7.405 10.065 -13.777 787 HB3 GLU 103 1HB GLU 103 9.020 10.450 -13.216 788 HG2 GLU 103 2HG GLU 103 8.388 7.963 -14.767 789 HG3 GLU 103 1HG GLU 103 8.804 9.487 -15.569 790 H VAL 104 H VAL 104 7.303 7.057 -13.834 791 HA VAL 104 HA VAL 104 4.612 6.883 -12.722 792 HB VAL 104 HB VAL 104 5.584 5.613 -15.297 793 HG11 VAL 104 1HG1 VAL 104 3.181 5.612 -15.858 794 HG12 VAL 104 2HG1 VAL 104 2.900 6.047 -14.147 795 HG13 VAL 104 3HG1 VAL 104 3.686 4.542 -14.549 796 HG21 VAL 104 3HG2 VAL 104 5.907 7.979 -15.446 797 HG22 VAL 104 1HG2 VAL 104 4.236 8.274 -14.945 798 HG23 VAL 104 2HG2 VAL 104 4.573 7.457 -16.486 799 H VAL 105 H VAL 105 3.927 5.076 -11.848 800 HA VAL 105 HA VAL 105 5.774 2.850 -11.869 801 HB VAL 105 HB VAL 105 5.171 2.422 -9.462 802 HG11 VAL 105 1HG1 VAL 105 6.722 4.102 -8.552 803 HG12 VAL 105 2HG1 VAL 105 6.596 5.026 -10.047 804 HG13 VAL 105 3HG1 VAL 105 7.332 3.422 -10.062 805 HG21 VAL 105 3HG2 VAL 105 4.163 5.238 -9.634 806 HG22 VAL 105 1HG2 VAL 105 4.265 4.235 -8.189 807 HG23 VAL 105 2HG2 VAL 105 3.156 3.800 -9.510 808 H ARG 106 H ARG 106 4.864 0.822 -11.414 809 HA ARG 106 HA ARG 106 1.991 0.611 -11.801 810 HB2 ARG 106 2HB ARG 106 4.175 -0.941 -13.202 811 HB3 ARG 106 1HB ARG 106 2.490 -1.428 -13.211 812 HG2 ARG 106 2HG ARG 106 1.844 0.581 -14.351 813 HG3 ARG 106 1HG ARG 106 3.481 1.221 -14.224 814 HD2 ARG 106 2HD ARG 106 4.313 -0.476 -15.664 815 HD3 ARG 106 1HD ARG 106 2.755 -1.293 -15.709 816 HE ARG 106 HE ARG 106 2.170 1.197 -16.563 817 HH11 ARG 106 1HH1 ARG 106 4.593 -1.158 -17.610 818 HH12 ARG 106 2HH1 ARG 106 4.563 -0.656 -19.235 819 HH21 ARG 106 1HH2 ARG 106 2.158 1.884 -18.721 820 HH22 ARG 106 2HH2 ARG 106 3.158 1.167 -19.901 821 H LEU 107 H LEU 107 1.248 -0.296 -10.138 822 HA LEU 107 HA LEU 107 3.031 -1.919 -8.472 823 HB2 LEU 107 2HB LEU 107 0.626 -0.462 -7.465 824 HB3 LEU 107 1HB LEU 107 2.008 -1.026 -6.566 825 HG LEU 107 HG LEU 107 2.243 1.268 -6.480 826 HD11 LEU 107 1HD1 LEU 107 3.864 0.628 -8.859 827 HD12 LEU 107 2HD1 LEU 107 4.268 0.306 -7.181 828 HD13 LEU 107 3HD1 LEU 107 4.081 1.973 -7.731 829 HD21 LEU 107 3HD2 LEU 107 1.885 2.821 -8.298 830 HD22 LEU 107 1HD2 LEU 107 0.446 1.883 -7.937 831 HD23 LEU 107 2HD2 LEU 107 1.420 1.488 -9.359 832 H LEU 108 H LEU 108 1.881 -3.484 -7.231 833 HA LEU 108 HA LEU 108 -0.729 -4.279 -8.271 834 HB2 LEU 108 2HB LEU 108 1.730 -5.707 -8.346 835 HB3 LEU 108 1HB LEU 108 0.526 -6.653 -7.477 836 HG LEU 108 HG LEU 108 -0.889 -6.212 -9.584 837 HD11 LEU 108 1HD1 LEU 108 1.854 -5.589 -10.659 838 HD12 LEU 108 2HD1 LEU 108 0.497 -4.468 -10.545 839 HD13 LEU 108 3HD1 LEU 108 0.407 -5.866 -11.626 840 HD21 LEU 108 3HD2 LEU 108 1.566 -7.948 -9.704 841 HD22 LEU 108 1HD2 LEU 108 0.166 -8.089 -10.765 842 HD23 LEU 108 2HD2 LEU 108 -0.006 -8.386 -9.034 843 H VAL 109 H VAL 109 -2.123 -4.615 -6.799 844 HA VAL 109 HA VAL 109 -1.162 -4.857 -4.038 845 HB VAL 109 HB VAL 109 -3.009 -3.584 -3.176 846 HG11 VAL 109 1HG1 VAL 109 -1.688 -2.036 -5.379 847 HG12 VAL 109 2HG1 VAL 109 -1.006 -2.394 -3.800 848 HG13 VAL 109 3HG1 VAL 109 -2.442 -1.368 -3.922 849 HG21 VAL 109 3HG2 VAL 109 -3.880 -3.112 -6.012 850 HG22 VAL 109 1HG2 VAL 109 -4.603 -2.394 -4.579 851 HG23 VAL 109 2HG2 VAL 109 -4.712 -4.136 -4.845 852 H THR 110 H THR 110 -2.385 -6.039 -2.615 853 HA THR 110 HA THR 110 -4.272 -7.834 -3.946 854 HB THR 110 HB THR 110 -3.661 -9.578 -2.364 855 HG1 THR 110 1HG THR 110 -1.708 -7.639 -1.549 856 HG21 THR 110 3HG2 THR 110 -1.459 -10.173 -3.306 857 HG22 THR 110 1HG2 THR 110 -1.282 -8.514 -3.892 858 HG23 THR 110 2HG2 THR 110 -2.563 -9.535 -4.530 859 H ARG 111 H ARG 111 -6.050 -8.380 -2.809 860 HA ARG 111 HA ARG 111 -6.434 -6.837 -0.373 861 HB2 ARG 111 2HB ARG 111 -8.460 -7.475 -2.544 862 HB3 ARG 111 1HB ARG 111 -8.902 -6.760 -0.986 863 HG2 ARG 111 2HG ARG 111 -7.528 -4.839 -1.393 864 HG3 ARG 111 1HG ARG 111 -6.864 -5.558 -2.847 865 HD2 ARG 111 2HD ARG 111 -9.053 -5.353 -3.933 866 HD3 ARG 111 1HD ARG 111 -9.722 -4.645 -2.452 867 HE ARG 111 HE ARG 111 -7.784 -2.990 -2.753 868 HH11 ARG 111 1HH1 ARG 111 -9.836 -4.181 -5.405 869 HH12 ARG 111 2HH1 ARG 111 -9.474 -2.905 -6.451 870 HH21 ARG 111 1HH2 ARG 111 -7.275 -1.254 -4.144 871 HH22 ARG 111 2HH2 ARG 111 -7.941 -1.132 -5.708 872 H GLN 112 H GLN 112 -6.001 -8.114 1.137 873 HA GLN 112 HA GLN 112 -6.456 -10.979 0.985 874 HB2 GLN 112 2HB GLN 112 -5.152 -9.295 3.116 875 HB3 GLN 112 1HB GLN 112 -5.172 -11.048 3.076 876 HG2 GLN 112 2HG GLN 112 -3.911 -9.281 1.013 877 HG3 GLN 112 1HG GLN 112 -3.038 -10.067 2.326 878 HE21 GLN 112 1HE2 GLN 112 -4.605 -10.487 -0.710 879 HE22 GLN 112 2HE2 GLN 112 -4.045 -12.097 -1.003 880 H SER 113 H SER 113 -8.045 -8.262 2.156 881 HA SER 113 HA SER 113 -9.377 -9.567 4.306 882 HB2 SER 113 2HB SER 113 -10.741 -7.376 4.203 883 HB3 SER 113 1HB SER 113 -9.024 -7.248 4.602 884 HG SER 113 HG SER 113 -10.324 -6.128 2.612 885 H LEU 114 H LEU 114 -9.483 -10.070 1.338 886 HA LEU 114 HA LEU 114 -12.351 -10.609 1.131 887 HB2 LEU 114 2HB LEU 114 -11.523 -9.201 -0.711 888 HB3 LEU 114 1HB LEU 114 -10.288 -10.387 -1.072 889 HG LEU 114 HG LEU 114 -12.015 -11.992 -1.764 890 HD11 LEU 114 1HD1 LEU 114 -14.320 -11.245 -2.049 891 HD12 LEU 114 2HD1 LEU 114 -13.931 -9.739 -1.215 892 HD13 LEU 114 3HD1 LEU 114 -13.842 -11.278 -0.355 893 HD21 LEU 114 3HD2 LEU 114 -12.682 -10.873 -3.808 894 HD22 LEU 114 1HD2 LEU 114 -11.007 -10.501 -3.399 895 HD23 LEU 114 2HD2 LEU 114 -12.277 -9.309 -3.101 896 H GLN 115 H GLN 115 -12.210 -12.375 2.399 897 HA GLN 115 HA GLN 115 -10.421 -14.501 1.551 898 HB2 GLN 115 2HB GLN 115 -12.199 -14.373 3.988 899 HB3 GLN 115 1HB GLN 115 -10.959 -15.577 3.663 900 HG2 GLN 115 2HG GLN 115 -9.255 -13.819 3.771 901 HG3 GLN 115 1HG GLN 115 -10.512 -12.642 4.129 902 HE21 GLN 115 1HE2 GLN 115 -11.978 -14.584 5.870 903 HE22 GLN 115 2HE2 GLN 115 -11.030 -14.654 7.294 904 H LYS 116 H LYS 116 -13.721 -14.511 2.870 905 HA LYS 116 HA LYS 116 -15.632 -15.583 2.277 906 HB2 LYS 116 2HB LYS 116 -14.482 -15.224 -0.501 907 HB3 LYS 116 1HB LYS 116 -16.130 -15.720 -0.168 908 HG2 LYS 116 2HG LYS 116 -14.936 -13.092 0.702 909 HG3 LYS 116 1HG LYS 116 -15.872 -13.320 -0.773 910 HD2 LYS 116 2HD LYS 116 -17.770 -14.113 0.620 911 HD3 LYS 116 1HD LYS 116 -16.828 -13.732 2.060 912 HE2 LYS 116 2HE LYS 116 -17.551 -11.726 -0.072 913 HE3 LYS 116 1HE LYS 116 -18.487 -11.982 1.395 914 HZ1 LYS 116 3HZ LYS 116 -16.682 -11.247 2.706 915 HZ2 LYS 116 1HZ LYS 116 -16.957 -10.103 1.527 916 HZ3 LYS 116 2HZ LYS 116 -15.617 -11.119 1.409 917 H ALA 117 H ALA 117 -13.071 -17.107 2.696 918 HA ALA 117 HA ALA 117 -13.938 -19.722 1.938 919 HB1 ALA 117 1HB ALA 117 -12.824 -19.020 -0.141 920 HB2 ALA 117 2HB ALA 117 -11.869 -20.253 0.684 921 HB3 ALA 117 3HB ALA 117 -11.392 -18.557 0.776 922 H VAL 118 H VAL 118 -11.799 -21.190 2.579 923 HA VAL 118 HA VAL 118 -10.270 -20.165 4.591 924 HB VAL 118 HB VAL 118 -12.257 -20.151 5.985 925 HG11 VAL 118 1HG1 VAL 118 -12.645 -23.058 5.337 926 HG12 VAL 118 2HG1 VAL 118 -13.654 -21.718 4.790 927 HG13 VAL 118 3HG1 VAL 118 -13.577 -22.118 6.507 928 HG21 VAL 118 3HG2 VAL 118 -10.503 -22.494 6.709 929 HG22 VAL 118 1HG2 VAL 118 -11.569 -21.634 7.818 930 HG23 VAL 118 2HG2 VAL 118 -10.195 -20.802 7.091 931 H GLN 119 H GLN 119 -8.812 -20.975 3.577 932 HA GLN 119 HA GLN 119 -8.197 -23.469 2.557 933 HB2 GLN 119 2HB GLN 119 -6.684 -21.552 2.434 934 HB3 GLN 119 1HB GLN 119 -6.383 -21.669 4.162 935 HG2 GLN 119 2HG GLN 119 -5.387 -23.920 3.765 936 HG3 GLN 119 1HG GLN 119 -5.583 -23.643 2.039 937 HE21 GLN 119 1HE2 GLN 119 -4.667 -21.146 4.329 938 HE22 GLN 119 2HE2 GLN 119 -3.058 -20.974 3.721 939 H GLN 120 H GLN 120 -8.323 -25.419 3.449 940 HA GLN 120 HA GLN 120 -7.960 -25.742 6.369 941 HB2 GLN 120 2HB GLN 120 -9.482 -27.465 4.408 942 HB3 GLN 120 1HB GLN 120 -9.303 -27.796 6.120 943 HG2 GLN 120 2HG GLN 120 -10.527 -25.768 6.656 944 HG3 GLN 120 1HG GLN 120 -10.681 -25.400 4.938 945 HE21 GLN 120 1HE2 GLN 120 -12.692 -25.874 6.952 946 HE22 GLN 120 2HE2 GLN 120 -13.681 -27.163 6.364 947 H SER 121 H SER 121 -6.062 -25.810 3.962 948 HA SER 121 HA SER 121 -4.191 -26.850 3.292 949 HB2 SER 121 2HB SER 121 -4.599 -28.630 5.716 950 HB3 SER 121 1HB SER 121 -3.118 -28.532 4.768 951 HG SER 121 HG SER 121 -2.594 -26.832 5.827 952 H MET 122 H MET 122 -6.947 -27.742 2.733 953 HA MET 122 HA MET 122 -6.534 -29.630 0.750 954 HB2 MET 122 2HB MET 122 -6.364 -31.271 2.623 955 HB3 MET 122 1HB MET 122 -7.917 -30.715 3.230 956 HG2 MET 122 2HG MET 122 -8.979 -31.485 1.134 957 HG3 MET 122 1HG MET 122 -7.423 -32.108 0.601 958 HE1 MET 122 3HE MET 122 -10.364 -32.450 3.176 959 HE2 MET 122 1HE MET 122 -8.993 -32.203 4.260 960 HE3 MET 122 2HE MET 122 -9.799 -33.766 4.208 961 H LEU 123 H LEU 123 -7.780 -28.171 -0.407 962 HA LEU 123 HA LEU 123 -10.475 -27.843 0.638 963 HB2 LEU 123 2HB LEU 123 -9.262 -25.696 0.468 964 HB3 LEU 123 1HB LEU 123 -8.994 -25.982 -1.237 965 HG LEU 123 HG LEU 123 -11.375 -25.743 -1.699 966 HD11 LEU 123 1HD1 LEU 123 -11.661 -25.361 1.276 967 HD12 LEU 123 2HD1 LEU 123 -12.280 -26.716 0.330 968 HD13 LEU 123 3HD1 LEU 123 -12.934 -25.100 0.085 969 HD21 LEU 123 3HD2 LEU 123 -11.660 -23.404 -1.121 970 HD22 LEU 123 1HD2 LEU 123 -9.995 -23.711 -1.608 971 HD23 LEU 123 2HD2 LEU 123 -10.395 -23.530 0.101 972 H SER 124 H SER 124 -11.269 -29.647 -0.159 973 HA SER 124 HA SER 124 -11.732 -29.721 -3.002 974 HB2 SER 124 2HB SER 124 -9.610 -31.062 -2.388 975 HB3 SER 124 1HB SER 124 -10.675 -32.136 -1.493 976 HG SER 124 HG SER 124 -10.051 -32.257 -3.996 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 3.185 -20.057 -21.866 2 H2 GLY 1 2HT GLY 1 3.169 -20.017 -20.170 3 H3 GLY 1 3HT GLY 1 4.593 -19.692 -21.006 4 HA2 GLY 1 1HA GLY 1 3.625 -17.709 -21.960 5 HA3 GLY 1 2HA GLY 1 2.163 -18.043 -21.030 6 H SER 2 H SER 2 2.987 -15.727 -20.366 7 HA SER 2 HA SER 2 4.708 -16.117 -18.043 8 HB2 SER 2 2HB SER 2 5.180 -13.658 -18.266 9 HB3 SER 2 1HB SER 2 5.767 -14.627 -19.620 10 HG SER 2 HG SER 2 3.211 -13.484 -19.701 11 H TYR 3 H TYR 3 3.344 -16.445 -16.421 12 HA TYR 3 HA TYR 3 0.870 -14.996 -16.193 13 HB2 TYR 3 2HB TYR 3 1.196 -17.384 -15.375 14 HB3 TYR 3 1HB TYR 3 2.252 -16.749 -14.124 15 HD1 TYR 3 1HD TYR 3 1.178 -14.946 -12.570 16 HD2 TYR 3 2HD TYR 3 -1.080 -17.664 -14.918 17 HE1 TYR 3 1HE TYR 3 -0.688 -14.558 -11.125 18 HE2 TYR 3 2HE TYR 3 -3.024 -17.326 -13.435 19 HH TYR 3 HH TYR 3 -3.503 -16.597 -11.213 20 H ILE 4 H ILE 4 0.770 -13.010 -15.373 21 HA ILE 4 HA ILE 4 3.149 -11.867 -14.219 22 HB ILE 4 HB ILE 4 0.517 -10.487 -14.852 23 HG12 ILE 4 2HG1 ILE 4 1.558 -11.370 -16.888 24 HG13 ILE 4 1HG1 ILE 4 1.645 -9.616 -16.862 25 HG21 ILE 4 1HG2 ILE 4 1.766 -8.391 -14.723 26 HG22 ILE 4 2HG2 ILE 4 3.197 -9.280 -14.195 27 HG23 ILE 4 3HG2 ILE 4 1.755 -9.249 -13.182 28 HD11 ILE 4 3HD1 ILE 4 4.006 -9.773 -16.174 29 HD12 ILE 4 1HD1 ILE 4 3.697 -10.572 -17.717 30 HD13 ILE 4 2HD1 ILE 4 3.892 -11.534 -16.256 31 HA PRO 5 HA PRO 5 0.343 -11.068 -10.314 32 HB2 PRO 5 2HB PRO 5 -2.108 -12.186 -10.176 33 HB3 PRO 5 1HB PRO 5 -1.831 -10.600 -10.893 34 HG2 PRO 5 2HG PRO 5 -2.220 -13.245 -12.213 35 HG3 PRO 5 1HG PRO 5 -2.855 -11.659 -12.677 36 HD2 PRO 5 2HD PRO 5 -0.722 -12.831 -13.881 37 HD3 PRO 5 1HD PRO 5 -0.949 -11.071 -13.752 38 H GLY 6 H GLY 6 -1.145 -12.576 -8.718 39 HA2 GLY 6 2HA GLY 6 -0.237 -15.288 -8.667 40 HA3 GLY 6 1HA GLY 6 0.477 -14.273 -7.409 41 H GLN 7 H GLN 7 -2.651 -14.478 -8.943 42 HA GLN 7 HA GLN 7 -3.959 -13.765 -6.498 43 HB2 GLN 7 2HB GLN 7 -4.812 -12.847 -8.509 44 HB3 GLN 7 1HB GLN 7 -5.110 -14.449 -9.200 45 HG2 GLN 7 2HG GLN 7 -6.800 -14.828 -7.445 46 HG3 GLN 7 1HG GLN 7 -6.487 -13.219 -6.813 47 HE21 GLN 7 1HE2 GLN 7 -6.227 -12.112 -9.592 48 HE22 GLN 7 2HE2 GLN 7 -7.852 -12.018 -10.143 49 HA PRO 8 HA PRO 8 -4.984 -17.930 -5.307 50 HB2 PRO 8 2HB PRO 8 -5.881 -17.336 -2.840 51 HB3 PRO 8 1HB PRO 8 -4.163 -17.216 -3.219 52 HG2 PRO 8 2HG PRO 8 -6.202 -15.038 -3.043 53 HG3 PRO 8 1HG PRO 8 -4.531 -15.056 -2.451 54 HD2 PRO 8 2HD PRO 8 -5.316 -13.902 -4.876 55 HD3 PRO 8 1HD PRO 8 -3.688 -14.476 -4.460 56 H VAL 9 H VAL 9 -7.399 -16.566 -3.366 57 HA VAL 9 HA VAL 9 -9.432 -16.581 -5.452 58 HB VAL 9 HB VAL 9 -11.014 -18.051 -4.123 59 HG11 VAL 9 1HG1 VAL 9 -9.916 -18.944 -6.069 60 HG12 VAL 9 2HG1 VAL 9 -10.023 -20.187 -4.818 61 HG13 VAL 9 3HG1 VAL 9 -8.494 -19.355 -5.111 62 HG21 VAL 9 3HG2 VAL 9 -8.514 -18.773 -2.593 63 HG22 VAL 9 1HG2 VAL 9 -10.050 -19.637 -2.501 64 HG23 VAL 9 2HG2 VAL 9 -9.940 -17.968 -1.944 65 H THR 10 H THR 10 -8.980 -16.227 -1.943 66 HA THR 10 HA THR 10 -11.253 -14.569 -1.586 67 HB THR 10 HB THR 10 -10.317 -15.942 0.206 68 HG1 THR 10 1HG THR 10 -11.430 -13.935 0.693 69 HG21 THR 10 3HG2 THR 10 -7.945 -15.771 -0.308 70 HG22 THR 10 1HG2 THR 10 -8.237 -15.291 1.364 71 HG23 THR 10 2HG2 THR 10 -7.954 -14.065 0.130 72 H ALA 11 H ALA 11 -8.075 -14.051 -2.585 73 HA ALA 11 HA ALA 11 -8.318 -11.168 -2.179 74 HB1 ALA 11 1HB ALA 11 -5.828 -12.842 -2.270 75 HB2 ALA 11 2HB ALA 11 -6.554 -12.137 -0.825 76 HB3 ALA 11 3HB ALA 11 -5.902 -11.092 -2.090 77 H VAL 12 H VAL 12 -7.841 -9.896 -3.844 78 HA VAL 12 HA VAL 12 -7.276 -11.210 -6.385 79 HB VAL 12 HB VAL 12 -9.129 -8.843 -5.865 80 HG11 VAL 12 1HG1 VAL 12 -7.749 -8.360 -7.853 81 HG12 VAL 12 2HG1 VAL 12 -9.426 -8.677 -8.293 82 HG13 VAL 12 3HG1 VAL 12 -8.203 -9.924 -8.535 83 HG21 VAL 12 3HG2 VAL 12 -10.114 -11.066 -5.581 84 HG22 VAL 12 1HG2 VAL 12 -9.587 -11.501 -7.205 85 HG23 VAL 12 2HG2 VAL 12 -10.794 -10.233 -6.981 86 H VAL 13 H VAL 13 -5.609 -10.524 -7.417 87 HA VAL 13 HA VAL 13 -4.041 -8.294 -6.354 88 HB VAL 13 HB VAL 13 -3.306 -10.126 -8.599 89 HG11 VAL 13 1HG1 VAL 13 -1.577 -8.568 -6.700 90 HG12 VAL 13 2HG1 VAL 13 -1.898 -8.216 -8.396 91 HG13 VAL 13 3HG1 VAL 13 -0.984 -9.661 -7.953 92 HG21 VAL 13 3HG2 VAL 13 -3.841 -11.648 -6.829 93 HG22 VAL 13 1HG2 VAL 13 -2.842 -10.778 -5.673 94 HG23 VAL 13 2HG2 VAL 13 -2.094 -11.616 -7.024 95 H GLN 14 H GLN 14 -4.075 -6.427 -7.474 96 HA GLN 14 HA GLN 14 -4.853 -6.534 -10.278 97 HB2 GLN 14 2HB GLN 14 -6.389 -4.621 -9.995 98 HB3 GLN 14 1HB GLN 14 -6.905 -6.012 -9.059 99 HG2 GLN 14 2HG GLN 14 -7.177 -4.520 -7.407 100 HG3 GLN 14 1HG GLN 14 -5.429 -4.639 -7.237 101 HE21 GLN 14 1HE2 GLN 14 -4.137 -3.028 -8.085 102 HE22 GLN 14 2HE2 GLN 14 -4.730 -1.449 -8.416 103 H ARG 15 H ARG 15 -4.118 -4.706 -11.505 104 HA ARG 15 HA ARG 15 -1.676 -3.691 -10.292 105 HB2 ARG 15 2HB ARG 15 -0.812 -3.355 -12.567 106 HB3 ARG 15 1HB ARG 15 -1.361 -5.003 -12.364 107 HG2 ARG 15 2HG ARG 15 -2.090 -4.454 -14.497 108 HG3 ARG 15 1HG ARG 15 -3.525 -4.189 -13.514 109 HD2 ARG 15 2HD ARG 15 -2.878 -1.773 -13.370 110 HD3 ARG 15 1HD ARG 15 -1.601 -2.103 -14.529 111 HE ARG 15 HE ARG 15 -3.275 -2.669 -16.125 112 HH11 ARG 15 1HH1 ARG 15 -4.516 -1.063 -13.184 113 HH12 ARG 15 2HH1 ARG 15 -5.757 -0.246 -13.978 114 HH21 ARG 15 1HH2 ARG 15 -5.064 -1.518 -17.208 115 HH22 ARG 15 2HH2 ARG 15 -6.091 -0.504 -16.274 116 H VAL 16 H VAL 16 -1.175 -1.543 -10.312 117 HA VAL 16 HA VAL 16 -3.301 0.285 -11.132 118 HB VAL 16 HB VAL 16 -3.291 -0.325 -8.687 119 HG11 VAL 16 1HG1 VAL 16 -0.757 1.139 -8.590 120 HG12 VAL 16 2HG1 VAL 16 -1.101 -0.544 -8.159 121 HG13 VAL 16 3HG1 VAL 16 -1.758 0.773 -7.180 122 HG21 VAL 16 3HG2 VAL 16 -4.436 1.669 -9.465 123 HG22 VAL 16 1HG2 VAL 16 -2.942 2.589 -9.311 124 HG23 VAL 16 2HG2 VAL 16 -3.734 1.930 -7.874 125 H GLU 17 H GLU 17 -2.450 2.503 -11.522 126 HA GLU 17 HA GLU 17 0.431 2.526 -11.952 127 HB2 GLU 17 2HB GLU 17 -0.576 1.698 -14.010 128 HB3 GLU 17 1HB GLU 17 -1.622 3.103 -14.077 129 HG2 GLU 17 2HG GLU 17 0.240 4.552 -14.509 130 HG3 GLU 17 1HG GLU 17 1.367 3.235 -14.170 131 H ILE 18 H ILE 18 1.109 4.147 -10.884 132 HA ILE 18 HA ILE 18 -0.531 6.549 -10.767 133 HB ILE 18 HB ILE 18 1.587 5.509 -8.891 134 HG12 ILE 18 2HG1 ILE 18 -0.126 6.375 -7.171 135 HG13 ILE 18 1HG1 ILE 18 -1.185 6.586 -8.556 136 HG21 ILE 18 1HG2 ILE 18 1.650 7.692 -7.732 137 HG22 ILE 18 2HG2 ILE 18 0.789 8.397 -9.094 138 HG23 ILE 18 3HG2 ILE 18 2.383 7.706 -9.333 139 HD11 ILE 18 3HD1 ILE 18 -1.148 4.206 -8.978 140 HD12 ILE 18 1HD1 ILE 18 -1.636 4.543 -7.308 141 HD13 ILE 18 2HD1 ILE 18 -0.004 4.007 -7.637 142 H HIS 19 H HIS 19 0.077 8.337 -11.644 143 HA HIS 19 HA HIS 19 2.604 8.440 -13.109 144 HB2 HIS 19 2HB HIS 19 0.059 10.002 -13.192 145 HB3 HIS 19 1HB HIS 19 1.486 10.535 -14.109 146 HD1 HIS 19 1HD HIS 19 -0.669 10.274 -15.895 147 HD2 HIS 19 2HD HIS 19 1.164 6.836 -14.478 148 HE1 HIS 19 1HE HIS 19 -1.321 8.442 -17.486 149 H LYS 20 H LYS 20 4.052 10.091 -12.725 150 HA LYS 20 HA LYS 20 4.736 11.106 -10.359 151 HB2 LYS 20 2HB LYS 20 5.705 13.084 -11.617 152 HB3 LYS 20 1HB LYS 20 6.238 11.479 -12.089 153 HG2 LYS 20 2HG LYS 20 4.546 11.616 -13.968 154 HG3 LYS 20 1HG LYS 20 4.265 13.292 -13.497 155 HD2 LYS 20 2HD LYS 20 6.567 13.853 -13.974 156 HD3 LYS 20 1HD LYS 20 6.953 12.169 -14.318 157 HE2 LYS 20 2HE LYS 20 5.258 12.260 -16.170 158 HE3 LYS 20 1HE LYS 20 5.138 13.995 -15.890 159 HZ1 LYS 20 3HZ LYS 20 7.549 12.480 -16.677 160 HZ2 LYS 20 1HZ LYS 20 7.552 14.150 -16.367 161 HZ3 LYS 20 2HZ LYS 20 6.669 13.528 -17.671 162 H LEU 21 H LEU 21 3.747 12.148 -8.809 163 HA LEU 21 HA LEU 21 2.184 14.531 -9.477 164 HB2 LEU 21 2HB LEU 21 0.801 12.880 -8.418 165 HB3 LEU 21 1HB LEU 21 1.986 12.631 -7.150 166 HG LEU 21 HG LEU 21 1.585 15.000 -6.446 167 HD11 LEU 21 1HD1 LEU 21 0.654 15.888 -8.488 168 HD12 LEU 21 2HD1 LEU 21 -0.502 16.086 -7.169 169 HD13 LEU 21 3HD1 LEU 21 -0.732 14.807 -8.360 170 HD21 LEU 21 3HD2 LEU 21 -0.797 13.156 -6.352 171 HD22 LEU 21 1HD2 LEU 21 -0.515 14.522 -5.275 172 HD23 LEU 21 2HD2 LEU 21 0.575 13.135 -5.243 173 H ARG 22 H ARG 22 3.083 16.395 -8.799 174 HA ARG 22 HA ARG 22 5.404 16.215 -7.041 175 HB2 ARG 22 2HB ARG 22 4.333 18.581 -8.577 176 HB3 ARG 22 1HB ARG 22 5.865 18.492 -7.729 177 HG2 ARG 22 2HG ARG 22 6.634 16.763 -9.272 178 HG3 ARG 22 1HG ARG 22 5.097 16.855 -10.133 179 HD2 ARG 22 2HD ARG 22 7.064 19.085 -9.770 180 HD3 ARG 22 1HD ARG 22 6.835 18.145 -11.251 181 HE ARG 22 HE ARG 22 4.377 19.159 -10.665 182 HH11 ARG 22 1HH1 ARG 22 7.567 20.548 -11.260 183 HH12 ARG 22 2HH1 ARG 22 6.991 22.036 -11.852 184 HH21 ARG 22 1HH2 ARG 22 3.549 21.207 -11.503 185 HH22 ARG 22 2HH2 ARG 22 4.639 22.420 -11.979 186 H GLN 23 H GLN 23 5.242 16.774 -4.945 187 HA GLN 23 HA GLN 23 2.944 18.428 -4.168 188 HB2 GLN 23 2HB GLN 23 4.206 16.072 -2.790 189 HB3 GLN 23 1HB GLN 23 3.156 17.194 -1.957 190 HG2 GLN 23 2HG GLN 23 2.268 15.701 -4.403 191 HG3 GLN 23 1HG GLN 23 2.135 15.000 -2.798 192 HE21 GLN 23 1HE2 GLN 23 1.523 17.607 -1.545 193 HE22 GLN 23 2HE2 GLN 23 -0.099 17.911 -1.989 194 H GLY 24 H GLY 24 4.019 20.328 -4.049 195 HA2 GLY 24 2HA GLY 24 5.269 21.918 -2.959 196 HA3 GLY 24 1HA GLY 24 5.811 20.668 -1.844 197 H GLU 25 H GLU 25 7.775 19.869 -2.058 198 HA GLU 25 HA GLU 25 9.285 20.657 -4.444 199 HB2 GLU 25 2HB GLU 25 10.246 19.999 -1.672 200 HB3 GLU 25 1HB GLU 25 11.287 20.384 -3.030 201 HG2 GLU 25 2HG GLU 25 10.420 22.618 -3.122 202 HG3 GLU 25 1HG GLU 25 9.229 22.242 -1.875 203 H ASN 26 H ASN 26 7.712 18.126 -3.288 204 HA ASN 26 HA ASN 26 9.851 16.146 -3.842 205 HB2 ASN 26 2HB ASN 26 7.303 15.318 -2.523 206 HB3 ASN 26 1HB ASN 26 8.932 14.691 -2.307 207 HD21 ASN 26 1HD2 ASN 26 6.635 16.964 -1.419 208 HD22 ASN 26 2HD2 ASN 26 7.438 17.715 -0.113 209 H LEU 27 H LEU 27 8.939 14.083 -4.617 210 HA LEU 27 HA LEU 27 6.790 14.460 -6.567 211 HB2 LEU 27 2HB LEU 27 9.233 14.257 -7.435 212 HB3 LEU 27 1HB LEU 27 9.196 12.629 -6.821 213 HG LEU 27 HG LEU 27 8.908 12.673 -9.232 214 HD11 LEU 27 1HD1 LEU 27 6.887 11.353 -9.493 215 HD12 LEU 27 2HD1 LEU 27 6.369 11.824 -7.873 216 HD13 LEU 27 3HD1 LEU 27 7.825 10.852 -8.085 217 HD21 LEU 27 3HD2 LEU 27 7.921 14.883 -9.414 218 HD22 LEU 27 1HD2 LEU 27 6.409 14.278 -8.739 219 HD23 LEU 27 2HD2 LEU 27 6.995 13.679 -10.298 220 H ILE 28 H ILE 28 5.138 13.305 -5.670 221 HA ILE 28 HA ILE 28 5.877 10.887 -4.171 222 HB ILE 28 HB ILE 28 3.339 12.325 -3.484 223 HG12 ILE 28 2HG1 ILE 28 6.092 13.348 -2.630 224 HG13 ILE 28 1HG1 ILE 28 4.772 14.159 -3.417 225 HG21 ILE 28 1HG2 ILE 28 3.830 11.454 -1.257 226 HG22 ILE 28 2HG2 ILE 28 5.372 10.837 -1.835 227 HG23 ILE 28 3HG2 ILE 28 3.860 10.164 -2.469 228 HD11 ILE 28 3HD1 ILE 28 5.005 14.791 -1.056 229 HD12 ILE 28 1HD1 ILE 28 4.564 13.144 -0.603 230 HD13 ILE 28 2HD1 ILE 28 3.417 14.172 -1.480 231 H LEU 29 H LEU 29 4.325 9.220 -4.333 232 HA LEU 29 HA LEU 29 2.804 9.194 -6.805 233 HB2 LEU 29 2HB LEU 29 3.013 7.174 -4.584 234 HB3 LEU 29 1HB LEU 29 2.325 6.864 -6.150 235 HG LEU 29 HG LEU 29 5.192 7.324 -5.435 236 HD11 LEU 29 1HD1 LEU 29 4.523 5.151 -4.960 237 HD12 LEU 29 2HD1 LEU 29 5.441 5.058 -6.467 238 HD13 LEU 29 3HD1 LEU 29 3.671 4.987 -6.480 239 HD21 LEU 29 3HD2 LEU 29 5.753 7.040 -7.811 240 HD22 LEU 29 1HD2 LEU 29 4.788 8.492 -7.545 241 HD23 LEU 29 2HD2 LEU 29 4.036 7.041 -8.211 242 H GLY 30 H GLY 30 2.217 10.573 -3.967 243 HA2 GLY 30 2HA GLY 30 0.195 11.593 -3.370 244 HA3 GLY 30 1HA GLY 30 -0.638 10.464 -4.414 245 H PHE 31 H PHE 31 0.514 8.059 -3.237 246 HA PHE 31 HA PHE 31 -1.123 8.052 -0.841 247 HB2 PHE 31 2HB PHE 31 -1.354 5.641 -1.210 248 HB3 PHE 31 1HB PHE 31 -1.622 6.493 -2.703 249 HD1 PHE 31 1HD PHE 31 -0.005 6.385 -4.488 250 HD2 PHE 31 2HD PHE 31 0.437 4.159 -0.929 251 HE1 PHE 31 1HE PHE 31 1.604 4.915 -5.619 252 HE2 PHE 31 2HE PHE 31 2.040 2.671 -2.020 253 HZ PHE 31 HZ PHE 31 2.646 3.044 -4.385 254 H SER 32 H SER 32 -0.343 6.415 0.903 255 HA SER 32 HA SER 32 2.553 6.754 1.394 256 HB2 SER 32 2HB SER 32 1.964 6.853 3.740 257 HB3 SER 32 1HB SER 32 1.169 8.172 2.831 258 HG SER 32 HG SER 32 0.079 6.175 4.300 259 H ILE 33 H ILE 33 2.929 5.142 3.539 260 HA ILE 33 HA ILE 33 1.595 2.638 2.950 261 HB ILE 33 HB ILE 33 3.549 1.334 2.971 262 HG12 ILE 33 2HG1 ILE 33 5.106 3.828 3.763 263 HG13 ILE 33 1HG1 ILE 33 4.801 2.366 4.713 264 HG21 ILE 33 1HG2 ILE 33 3.145 2.337 0.803 265 HG22 ILE 33 2HG2 ILE 33 4.895 2.225 1.063 266 HG23 ILE 33 3HG2 ILE 33 4.079 3.755 1.268 267 HD11 ILE 33 3HD1 ILE 33 6.588 2.627 2.344 268 HD12 ILE 33 1HD1 ILE 33 6.047 1.090 3.090 269 HD13 ILE 33 2HD1 ILE 33 6.953 2.285 4.046 270 H GLY 34 H GLY 34 1.970 1.064 4.738 271 HA2 GLY 34 2HA GLY 34 2.148 2.501 7.308 272 HA3 GLY 34 1HA GLY 34 1.128 1.093 7.024 273 H GLY 35 H GLY 35 3.422 0.034 5.367 274 HA2 GLY 35 2HA GLY 35 5.765 -0.531 6.147 275 HA3 GLY 35 1HA GLY 35 4.998 -0.816 7.669 276 H GLY 36 H GLY 36 6.535 -2.671 6.444 277 HA2 GLY 36 2HA GLY 36 4.541 -4.575 5.490 278 HA3 GLY 36 1HA GLY 36 6.234 -4.568 5.021 279 H ILE 37 H ILE 37 7.582 -5.730 6.097 280 HA ILE 37 HA ILE 37 6.491 -7.605 7.980 281 HB ILE 37 HB ILE 37 8.481 -8.839 7.785 282 HG12 ILE 37 2HG1 ILE 37 10.052 -6.834 8.043 283 HG13 ILE 37 1HG1 ILE 37 10.616 -8.027 6.836 284 HG21 ILE 37 1HG2 ILE 37 8.660 -9.144 5.375 285 HG22 ILE 37 2HG2 ILE 37 7.911 -7.564 5.126 286 HG23 ILE 37 3HG2 ILE 37 6.985 -8.858 5.877 287 HD11 ILE 37 3HD1 ILE 37 9.383 -5.308 6.547 288 HD12 ILE 37 1HD1 ILE 37 9.715 -6.368 5.172 289 HD13 ILE 37 2HD1 ILE 37 11.031 -5.788 6.192 290 H ASP 38 H ASP 38 8.294 -4.686 8.102 291 HA ASP 38 HA ASP 38 9.691 -5.199 10.511 292 HB2 ASP 38 2HB ASP 38 10.794 -3.177 9.755 293 HB3 ASP 38 1HB ASP 38 10.198 -4.142 8.373 294 H GLN 39 H GLN 39 6.693 -4.604 9.780 295 HA GLN 39 HA GLN 39 6.010 -2.801 12.000 296 HB2 GLN 39 2HB GLN 39 4.096 -4.118 10.053 297 HB3 GLN 39 1HB GLN 39 3.842 -2.659 11.003 298 HG2 GLN 39 2HG GLN 39 5.725 -2.980 8.775 299 HG3 GLN 39 1HG GLN 39 4.212 -2.081 8.782 300 HE21 GLN 39 1HE2 GLN 39 7.088 -1.556 8.504 301 HE22 GLN 39 2HE2 GLN 39 7.512 -0.280 9.482 302 H ASP 40 H ASP 40 3.836 -3.688 13.125 303 HA ASP 40 HA ASP 40 4.204 -6.549 13.602 304 HB2 ASP 40 2HB ASP 40 5.005 -4.763 15.557 305 HB3 ASP 40 1HB ASP 40 3.310 -4.875 15.832 306 HA PRO 41 HA PRO 41 0.002 -6.122 12.371 307 HB2 PRO 41 2HB PRO 41 -0.856 -8.577 13.308 308 HB3 PRO 41 1HB PRO 41 -0.134 -8.220 11.730 309 HG2 PRO 41 2HG PRO 41 1.163 -9.368 14.174 310 HG3 PRO 41 1HG PRO 41 1.429 -9.761 12.464 311 HD2 PRO 41 2HD PRO 41 3.120 -8.228 13.867 312 HD3 PRO 41 1HD PRO 41 2.820 -7.974 12.134 313 H SER 42 H SER 42 0.951 -6.877 15.597 314 HA SER 42 HA SER 42 -1.533 -6.669 16.899 315 HB2 SER 42 2HB SER 42 1.169 -5.957 18.026 316 HB3 SER 42 1HB SER 42 -0.232 -6.602 18.883 317 HG SER 42 HG SER 42 1.692 -7.841 17.411 318 H GLN 43 H GLN 43 0.758 -4.272 15.698 319 HA GLN 43 HA GLN 43 -0.822 -2.131 16.950 320 HB2 GLN 43 2HB GLN 43 1.292 -0.812 17.057 321 HB3 GLN 43 1HB GLN 43 1.300 -2.208 18.123 322 HG2 GLN 43 2HG GLN 43 2.435 -2.978 15.675 323 HG3 GLN 43 1HG GLN 43 3.070 -1.376 16.028 324 HE21 GLN 43 1HE2 GLN 43 2.093 -3.778 18.363 325 HE22 GLN 43 2HE2 GLN 43 3.656 -4.034 19.043 326 H ASN 44 H ASN 44 -0.783 -3.449 14.269 327 HA ASN 44 HA ASN 44 -0.316 -1.006 12.737 328 HB2 ASN 44 2HB ASN 44 0.195 -3.815 12.048 329 HB3 ASN 44 1HB ASN 44 -0.252 -2.742 10.768 330 HD21 ASN 44 1HD2 ASN 44 1.206 -1.110 10.125 331 HD22 ASN 44 2HD2 ASN 44 2.789 -0.924 10.785 332 HA PRO 45 HA PRO 45 -4.455 -0.444 11.884 333 HB2 PRO 45 2HB PRO 45 -4.371 0.808 9.482 334 HB3 PRO 45 1HB PRO 45 -3.790 1.539 10.990 335 HG2 PRO 45 2HG PRO 45 -2.192 0.129 8.877 336 HG3 PRO 45 1HG PRO 45 -1.892 1.719 9.620 337 HD2 PRO 45 2HD PRO 45 -0.631 -0.485 10.428 338 HD3 PRO 45 1HD PRO 45 -1.156 0.768 11.587 339 H PHE 46 H PHE 46 -2.878 -1.590 8.907 340 HA PHE 46 HA PHE 46 -5.324 -3.069 8.314 341 HB2 PHE 46 2HB PHE 46 -3.058 -2.297 6.450 342 HB3 PHE 46 1HB PHE 46 -4.571 -3.074 5.981 343 HD1 PHE 46 1HD PHE 46 -6.711 -1.843 6.219 344 HD2 PHE 46 2HD PHE 46 -2.948 0.028 6.844 345 HE1 PHE 46 1HE PHE 46 -7.775 0.372 6.054 346 HE2 PHE 46 2HE PHE 46 -4.019 2.234 6.685 347 HZ PHE 46 HZ PHE 46 -6.406 2.406 6.294 348 H SER 47 H SER 47 -2.924 -3.771 10.094 349 HA SER 47 HA SER 47 -2.524 -6.399 8.895 350 HB2 SER 47 2HB SER 47 -0.563 -4.689 9.163 351 HB3 SER 47 1HB SER 47 -0.688 -5.079 10.833 352 HG SER 47 HG SER 47 -0.718 -7.411 9.726 353 H GLU 48 H GLU 48 -4.256 -4.796 11.113 354 HA GLU 48 HA GLU 48 -3.582 -6.444 13.331 355 HB2 GLU 48 2HB GLU 48 -5.369 -5.218 14.607 356 HB3 GLU 48 1HB GLU 48 -4.046 -4.241 13.991 357 HG2 GLU 48 2HG GLU 48 -5.411 -3.356 12.267 358 HG3 GLU 48 1HG GLU 48 -6.693 -4.517 12.613 359 H ASP 49 H ASP 49 -5.753 -6.646 10.799 360 HA ASP 49 HA ASP 49 -7.879 -8.121 12.011 361 HB2 ASP 49 2HB ASP 49 -8.315 -7.044 9.925 362 HB3 ASP 49 1HB ASP 49 -6.940 -7.829 9.165 363 H LYS 50 H LYS 50 -5.165 -9.030 9.980 364 HA LYS 50 HA LYS 50 -4.886 -11.480 11.440 365 HB2 LYS 50 2HB LYS 50 -5.154 -11.328 8.426 366 HB3 LYS 50 1HB LYS 50 -4.407 -12.697 9.244 367 HG2 LYS 50 2HG LYS 50 -6.513 -13.011 10.518 368 HG3 LYS 50 1HG LYS 50 -7.231 -11.725 9.554 369 HD2 LYS 50 2HD LYS 50 -6.043 -14.226 8.346 370 HD3 LYS 50 1HD LYS 50 -7.735 -14.107 8.822 371 HE2 LYS 50 2HE LYS 50 -6.373 -12.282 6.860 372 HE3 LYS 50 1HE LYS 50 -7.338 -13.689 6.413 373 HZ1 LYS 50 3HZ LYS 50 -8.733 -11.797 6.267 374 HZ2 LYS 50 1HZ LYS 50 -8.300 -11.233 7.808 375 HZ3 LYS 50 2HZ LYS 50 -9.192 -12.636 7.648 376 H THR 51 H THR 51 -2.703 -12.423 11.039 377 HA THR 51 HA THR 51 -0.936 -10.290 11.664 378 HB THR 51 HB THR 51 0.502 -12.403 12.132 379 HG1 THR 51 1HG THR 51 -0.761 -14.265 12.302 380 HG21 THR 51 3HG2 THR 51 -0.543 -11.016 13.872 381 HG22 THR 51 1HG2 THR 51 -0.719 -12.725 14.263 382 HG23 THR 51 2HG2 THR 51 -2.084 -11.827 13.601 383 H ASP 52 H ASP 52 -1.733 -10.845 8.897 384 HA ASP 52 HA ASP 52 0.665 -11.785 7.563 385 HB2 ASP 52 2HB ASP 52 -1.467 -12.540 6.745 386 HB3 ASP 52 1HB ASP 52 -2.004 -10.889 6.528 387 H LYS 53 H LYS 53 2.256 -10.415 7.299 388 HA LYS 53 HA LYS 53 1.795 -7.565 7.176 389 HB2 LYS 53 2HB LYS 53 4.276 -9.220 7.409 390 HB3 LYS 53 1HB LYS 53 4.294 -7.473 7.387 391 HG2 LYS 53 2HG LYS 53 2.830 -7.491 9.407 392 HG3 LYS 53 1HG LYS 53 2.959 -9.245 9.435 393 HD2 LYS 53 2HD LYS 53 5.384 -7.449 9.525 394 HD3 LYS 53 1HD LYS 53 4.475 -7.889 10.945 395 HE2 LYS 53 2HE LYS 53 6.533 -9.225 10.471 396 HE3 LYS 53 1HE LYS 53 5.082 -10.172 10.809 397 HZ1 LYS 53 3HZ LYS 53 6.380 -9.719 8.130 398 HZ2 LYS 53 1HZ LYS 53 4.952 -10.592 8.359 399 HZ3 LYS 53 2HZ LYS 53 6.383 -11.116 9.019 400 H GLY 54 H GLY 54 3.657 -6.464 5.802 401 HA2 GLY 54 2HA GLY 54 4.872 -6.715 3.562 402 HA3 GLY 54 1HA GLY 54 3.279 -7.218 2.963 403 H ILE 55 H ILE 55 4.857 -4.771 2.320 404 HA ILE 55 HA ILE 55 3.884 -2.563 3.687 405 HB ILE 55 HB ILE 55 4.849 -2.656 0.807 406 HG12 ILE 55 2HG1 ILE 55 6.509 -3.470 2.515 407 HG13 ILE 55 1HG1 ILE 55 6.995 -2.016 1.645 408 HG21 ILE 55 1HG2 ILE 55 5.272 -0.251 1.124 409 HG22 ILE 55 2HG2 ILE 55 4.486 -0.384 2.700 410 HG23 ILE 55 3HG2 ILE 55 3.558 -0.682 1.238 411 HD11 ILE 55 3HD1 ILE 55 6.600 -0.659 3.525 412 HD12 ILE 55 1HD1 ILE 55 7.475 -2.055 4.162 413 HD13 ILE 55 2HD1 ILE 55 5.724 -1.916 4.344 414 H TYR 56 H TYR 56 1.951 -1.817 3.856 415 HA TYR 56 HA TYR 56 0.171 -1.987 1.566 416 HB2 TYR 56 2HB TYR 56 -1.645 -1.715 3.474 417 HB3 TYR 56 1HB TYR 56 -1.003 -3.298 3.051 418 HD1 TYR 56 1HD TYR 56 -0.646 -0.516 5.498 419 HD2 TYR 56 2HD TYR 56 0.143 -4.543 4.541 420 HE1 TYR 56 1HE TYR 56 0.172 -0.906 7.800 421 HE2 TYR 56 2HE TYR 56 1.001 -4.969 6.724 422 HH TYR 56 HH TYR 56 1.859 -3.731 8.641 423 H VAL 57 H VAL 57 -1.233 -0.328 1.281 424 HA VAL 57 HA VAL 57 -0.094 2.258 1.850 425 HB VAL 57 HB VAL 57 -1.043 1.736 -0.401 426 HG11 VAL 57 1HG1 VAL 57 -3.363 1.508 -0.751 427 HG12 VAL 57 2HG1 VAL 57 -3.607 1.471 0.991 428 HG13 VAL 57 3HG1 VAL 57 -2.683 0.192 0.204 429 HG21 VAL 57 3HG2 VAL 57 -1.049 4.053 0.430 430 HG22 VAL 57 1HG2 VAL 57 -2.680 3.789 1.028 431 HG23 VAL 57 2HG2 VAL 57 -2.353 3.699 -0.708 432 H THR 58 H THR 58 -0.814 3.741 3.272 433 HA THR 58 HA THR 58 -3.049 2.932 4.952 434 HB THR 58 HB THR 58 -1.911 4.582 6.580 435 HG1 THR 58 1HG THR 58 0.426 4.565 6.112 436 HG21 THR 58 3HG2 THR 58 -1.973 2.137 6.851 437 HG22 THR 58 1HG2 THR 58 -0.413 2.791 7.351 438 HG23 THR 58 2HG2 THR 58 -0.571 1.980 5.795 439 H ARG 59 H ARG 59 -1.842 5.406 2.895 440 HA ARG 59 HA ARG 59 -4.369 6.800 3.114 441 HB2 ARG 59 2HB ARG 59 -1.665 7.862 3.576 442 HB3 ARG 59 1HB ARG 59 -2.748 8.896 2.696 443 HG2 ARG 59 2HG ARG 59 -4.346 8.566 4.689 444 HG3 ARG 59 1HG ARG 59 -2.967 7.823 5.505 445 HD2 ARG 59 2HD ARG 59 -1.682 9.841 5.276 446 HD3 ARG 59 1HD ARG 59 -2.941 10.567 4.290 447 HE ARG 59 HE ARG 59 -3.150 9.952 7.143 448 HH11 ARG 59 1HH1 ARG 59 -4.112 11.856 4.297 449 HH12 ARG 59 2HH1 ARG 59 -5.118 12.923 5.166 450 HH21 ARG 59 1HH2 ARG 59 -4.498 11.471 8.337 451 HH22 ARG 59 2HH2 ARG 59 -5.309 12.717 7.517 452 H VAL 60 H VAL 60 -5.076 7.487 1.212 453 HA VAL 60 HA VAL 60 -3.270 7.345 -1.070 454 HB VAL 60 HB VAL 60 -6.170 6.304 -1.065 455 HG11 VAL 60 1HG1 VAL 60 -6.015 5.972 -3.390 456 HG12 VAL 60 2HG1 VAL 60 -4.430 6.747 -3.398 457 HG13 VAL 60 3HG1 VAL 60 -5.868 7.685 -2.984 458 HG21 VAL 60 3HG2 VAL 60 -4.505 4.701 -0.341 459 HG22 VAL 60 1HG2 VAL 60 -3.581 5.022 -1.810 460 HG23 VAL 60 2HG2 VAL 60 -5.184 4.285 -1.919 461 H SER 61 H SER 61 -3.353 9.000 -2.352 462 HA SER 61 HA SER 61 -4.177 11.486 -1.492 463 HB2 SER 61 2HB SER 61 -2.505 10.879 -3.332 464 HB3 SER 61 1HB SER 61 -3.951 10.698 -4.351 465 HG SER 61 HG SER 61 -2.984 13.042 -3.095 466 H GLU 62 H GLU 62 -6.124 12.241 -1.273 467 HA GLU 62 HA GLU 62 -8.541 11.046 -2.054 468 HB2 GLU 62 2HB GLU 62 -9.535 13.063 -1.093 469 HB3 GLU 62 1HB GLU 62 -8.244 12.396 -0.080 470 HG2 GLU 62 2HG GLU 62 -6.700 14.060 -1.135 471 HG3 GLU 62 1HG GLU 62 -8.103 14.789 -1.884 472 H GLY 63 H GLY 63 -6.479 12.851 -3.860 473 HA2 GLY 63 2HA GLY 63 -8.321 13.116 -6.046 474 HA3 GLY 63 1HA GLY 63 -7.811 14.662 -5.359 475 H GLY 64 H GLY 64 -5.958 11.716 -5.584 476 HA2 GLY 64 2HA GLY 64 -4.119 13.166 -7.353 477 HA3 GLY 64 1HA GLY 64 -3.564 12.197 -5.997 478 HA PRO 65 HA PRO 65 -3.466 9.908 -10.112 479 HB2 PRO 65 2HB PRO 65 -1.060 8.734 -9.627 480 HB3 PRO 65 1HB PRO 65 -1.199 10.288 -10.423 481 HG2 PRO 65 2HG PRO 65 -0.567 9.666 -7.578 482 HG3 PRO 65 1HG PRO 65 0.112 10.927 -8.613 483 HD2 PRO 65 2HD PRO 65 -1.787 11.393 -6.730 484 HD3 PRO 65 1HD PRO 65 -1.713 12.358 -8.231 485 H ALA 66 H ALA 66 -2.716 8.971 -6.910 486 HA ALA 66 HA ALA 66 -2.669 6.219 -7.136 487 HB1 ALA 66 1HB ALA 66 -1.853 7.449 -5.210 488 HB2 ALA 66 2HB ALA 66 -2.980 6.180 -4.739 489 HB3 ALA 66 3HB ALA 66 -3.506 7.883 -4.785 490 H GLU 67 H GLU 67 -5.459 8.158 -5.943 491 HA GLU 67 HA GLU 67 -7.111 5.855 -6.323 492 HB2 GLU 67 2HB GLU 67 -9.020 7.220 -5.715 493 HB3 GLU 67 1HB GLU 67 -7.703 7.413 -4.567 494 HG2 GLU 67 2HG GLU 67 -7.338 9.575 -5.139 495 HG3 GLU 67 1HG GLU 67 -7.949 9.404 -6.771 496 H ILE 68 H ILE 68 -6.254 8.549 -8.321 497 HA ILE 68 HA ILE 68 -8.307 8.393 -10.203 498 HB ILE 68 HB ILE 68 -5.405 9.163 -10.437 499 HG12 ILE 68 2HG1 ILE 68 -6.770 10.745 -9.230 500 HG13 ILE 68 1HG1 ILE 68 -6.296 11.439 -10.772 501 HG21 ILE 68 1HG2 ILE 68 -5.937 8.291 -12.611 502 HG22 ILE 68 2HG2 ILE 68 -5.770 10.042 -12.689 503 HG23 ILE 68 3HG2 ILE 68 -7.378 9.308 -12.711 504 HD11 ILE 68 3HD1 ILE 68 -8.538 10.918 -11.660 505 HD12 ILE 68 1HD1 ILE 68 -8.589 11.994 -10.266 506 HD13 ILE 68 2HD1 ILE 68 -8.998 10.299 -10.073 507 H ALA 69 H ALA 69 -5.290 6.572 -9.935 508 HA ALA 69 HA ALA 69 -5.867 4.933 -12.180 509 HB1 ALA 69 1HB ALA 69 -3.979 4.495 -9.873 510 HB2 ALA 69 2HB ALA 69 -3.578 5.278 -11.403 511 HB3 ALA 69 3HB ALA 69 -4.005 3.569 -11.371 512 H GLY 70 H GLY 70 -6.061 4.444 -8.666 513 HA2 GLY 70 2HA GLY 70 -8.363 3.293 -8.219 514 HA3 GLY 70 1HA GLY 70 -7.653 2.013 -9.189 515 H LEU 71 H LEU 71 -5.561 3.772 -7.090 516 HA LEU 71 HA LEU 71 -5.135 1.449 -5.441 517 HB2 LEU 71 2HB LEU 71 -3.264 2.847 -6.178 518 HB3 LEU 71 1HB LEU 71 -3.988 4.242 -5.442 519 HG LEU 71 HG LEU 71 -3.069 3.755 -3.335 520 HD11 LEU 71 1HD1 LEU 71 -2.913 0.834 -4.250 521 HD12 LEU 71 2HD1 LEU 71 -4.165 1.447 -3.164 522 HD13 LEU 71 3HD1 LEU 71 -2.472 1.441 -2.658 523 HD21 LEU 71 3HD2 LEU 71 -1.367 2.241 -5.271 524 HD22 LEU 71 1HD2 LEU 71 -0.878 2.883 -3.707 525 HD23 LEU 71 2HD2 LEU 71 -1.357 3.984 -4.998 526 H GLN 72 H GLN 72 -6.064 1.022 -3.506 527 HA GLN 72 HA GLN 72 -7.717 3.143 -2.336 528 HB2 GLN 72 2HB GLN 72 -8.149 0.146 -2.245 529 HB3 GLN 72 1HB GLN 72 -9.214 1.392 -1.601 530 HG2 GLN 72 2HG GLN 72 -8.552 1.084 -4.511 531 HG3 GLN 72 1HG GLN 72 -9.968 0.382 -3.740 532 HE21 GLN 72 1HE2 GLN 72 -8.363 3.379 -4.514 533 HE22 GLN 72 2HE2 GLN 72 -9.791 4.328 -4.619 534 H ILE 73 H ILE 73 -7.630 3.276 -0.173 535 HA ILE 73 HA ILE 73 -5.232 2.610 1.161 536 HB ILE 73 HB ILE 73 -7.910 3.379 2.373 537 HG12 ILE 73 2HG1 ILE 73 -5.455 5.006 1.732 538 HG13 ILE 73 1HG1 ILE 73 -6.987 5.071 0.862 539 HG21 ILE 73 1HG2 ILE 73 -6.514 2.269 4.019 540 HG22 ILE 73 2HG2 ILE 73 -6.665 3.993 4.370 541 HG23 ILE 73 3HG2 ILE 73 -5.185 3.366 3.647 542 HD11 ILE 73 3HD1 ILE 73 -6.737 6.956 2.345 543 HD12 ILE 73 1HD1 ILE 73 -6.494 5.867 3.715 544 HD13 ILE 73 2HD1 ILE 73 -8.059 5.915 2.898 545 H GLY 74 H GLY 74 -4.567 0.818 2.345 546 HA2 GLY 74 2HA GLY 74 -4.944 -1.041 3.744 547 HA3 GLY 74 1HA GLY 74 -6.563 -1.178 3.091 548 H ASP 75 H ASP 75 -4.644 -0.527 0.490 549 HA ASP 75 HA ASP 75 -4.782 -3.221 -0.434 550 HB2 ASP 75 2HB ASP 75 -3.851 -0.618 -1.611 551 HB3 ASP 75 1HB ASP 75 -3.443 -2.106 -2.422 552 H LYS 76 H LYS 76 -3.312 -4.701 -0.046 553 HA LYS 76 HA LYS 76 -0.724 -3.907 0.981 554 HB2 LYS 76 2HB LYS 76 -1.749 -6.706 0.423 555 HB3 LYS 76 1HB LYS 76 -0.259 -6.307 1.262 556 HG2 LYS 76 2HG LYS 76 -1.688 -5.155 2.999 557 HG3 LYS 76 1HG LYS 76 -3.082 -5.890 2.202 558 HD2 LYS 76 2HD LYS 76 -1.988 -8.113 2.522 559 HD3 LYS 76 1HD LYS 76 -0.736 -7.305 3.459 560 HE2 LYS 76 2HE LYS 76 -2.455 -6.487 5.021 561 HE3 LYS 76 1HE LYS 76 -3.679 -7.371 4.109 562 HZ1 LYS 76 3HZ LYS 76 -3.128 -8.814 5.831 563 HZ2 LYS 76 1HZ LYS 76 -1.478 -8.456 5.754 564 HZ3 LYS 76 2HZ LYS 76 -2.162 -9.388 4.576 565 H ILE 77 H ILE 77 0.867 -3.460 -0.266 566 HA ILE 77 HA ILE 77 0.613 -3.925 -3.085 567 HB ILE 77 HB ILE 77 2.743 -2.460 -1.546 568 HG12 ILE 77 2HG1 ILE 77 0.427 -1.131 -2.883 569 HG13 ILE 77 1HG1 ILE 77 0.193 -1.819 -1.276 570 HG21 ILE 77 1HG2 ILE 77 1.723 -2.301 -4.397 571 HG22 ILE 77 2HG2 ILE 77 3.226 -3.069 -3.901 572 HG23 ILE 77 3HG2 ILE 77 3.022 -1.321 -3.714 573 HD11 ILE 77 3HD1 ILE 77 2.253 0.194 -2.067 574 HD12 ILE 77 1HD1 ILE 77 1.980 -0.509 -0.466 575 HD13 ILE 77 2HD1 ILE 77 0.720 0.509 -1.194 576 H MET 78 H MET 78 1.669 -5.495 -4.049 577 HA MET 78 HA MET 78 3.715 -6.958 -2.540 578 HB2 MET 78 2HB MET 78 1.966 -7.902 -4.807 579 HB3 MET 78 1HB MET 78 3.201 -8.867 -4.038 580 HG2 MET 78 2HG MET 78 0.756 -7.799 -2.636 581 HG3 MET 78 1HG MET 78 0.853 -9.390 -3.361 582 HE1 MET 78 3HE MET 78 2.739 -7.048 -0.710 583 HE2 MET 78 1HE MET 78 2.528 -8.078 0.706 584 HE3 MET 78 2HE MET 78 1.122 -7.432 -0.136 585 H GLN 79 H GLN 79 3.179 -4.978 -5.240 586 HA GLN 79 HA GLN 79 5.863 -5.470 -6.196 587 HB2 GLN 79 2HB GLN 79 3.642 -6.636 -7.457 588 HB3 GLN 79 1HB GLN 79 4.037 -5.236 -8.446 589 HG2 GLN 79 2HG GLN 79 5.936 -7.497 -7.751 590 HG3 GLN 79 1HG GLN 79 5.110 -7.253 -9.289 591 HE21 GLN 79 1HE2 GLN 79 5.536 -4.422 -9.339 592 HE22 GLN 79 2HE2 GLN 79 7.232 -4.235 -9.571 593 H VAL 80 H VAL 80 6.755 -3.564 -6.947 594 HA VAL 80 HA VAL 80 5.020 -1.291 -7.546 595 HB VAL 80 HB VAL 80 7.197 -1.358 -5.430 596 HG11 VAL 80 1HG1 VAL 80 6.161 1.166 -6.767 597 HG12 VAL 80 2HG1 VAL 80 7.789 0.519 -6.875 598 HG13 VAL 80 3HG1 VAL 80 7.184 1.102 -5.329 599 HG21 VAL 80 3HG2 VAL 80 5.574 -0.274 -4.050 600 HG22 VAL 80 1HG2 VAL 80 4.891 -1.723 -4.760 601 HG23 VAL 80 2HG2 VAL 80 4.429 -0.143 -5.382 602 H ASN 81 H ASN 81 5.570 -0.805 -9.551 603 HA ASN 81 HA ASN 81 6.699 -0.248 -11.391 604 HB2 ASN 81 2HB ASN 81 7.527 1.396 -9.510 605 HB3 ASN 81 1HB ASN 81 9.058 0.569 -9.729 606 HD21 ASN 81 1HD2 ASN 81 6.806 1.196 -12.410 607 HD22 ASN 81 2HD2 ASN 81 7.705 2.452 -13.122 608 H GLY 82 H GLY 82 6.927 -2.838 -10.675 609 HA2 GLY 82 2HA GLY 82 7.929 -4.763 -11.267 610 HA3 GLY 82 1HA GLY 82 9.098 -3.800 -12.212 611 H TRP 83 H TRP 83 9.158 -2.929 -8.962 612 HA TRP 83 HA TRP 83 11.596 -4.391 -8.721 613 HB2 TRP 83 2HB TRP 83 12.414 -2.729 -7.310 614 HB3 TRP 83 1HB TRP 83 11.032 -1.860 -7.946 615 HD1 TRP 83 HD TRP 83 8.900 -1.644 -6.228 616 HE1 TRP 83 1HE TRP 83 8.905 -1.526 -3.587 617 HE3 TRP 83 3HE TRP 83 13.578 -3.422 -5.313 618 HZ2 TRP 83 2HZ TRP 83 10.632 -2.049 -1.550 619 HZ3 TRP 83 3HZ TRP 83 14.348 -3.565 -2.988 620 HH2 TRP 83 HH TRP 83 12.914 -2.894 -1.142 621 H ASP 84 H ASP 84 9.441 -4.153 -5.807 622 HA ASP 84 HA ASP 84 8.267 -6.603 -5.657 623 HB2 ASP 84 2HB ASP 84 10.675 -7.514 -5.676 624 HB3 ASP 84 1HB ASP 84 10.853 -6.606 -4.158 625 H MET 85 H MET 85 6.784 -5.872 -4.173 626 HA MET 85 HA MET 85 7.857 -4.094 -2.052 627 HB2 MET 85 2HB MET 85 6.142 -3.335 -3.877 628 HB3 MET 85 1HB MET 85 4.986 -4.165 -2.853 629 HG2 MET 85 2HG MET 85 4.920 -1.874 -2.264 630 HG3 MET 85 1HG MET 85 5.769 -2.722 -0.969 631 HE1 MET 85 3HE MET 85 5.754 0.550 -2.173 632 HE2 MET 85 1HE MET 85 7.334 0.970 -1.521 633 HE3 MET 85 2HE MET 85 6.177 0.040 -0.553 634 H THR 86 H THR 86 6.842 -7.087 -2.605 635 HA THR 86 HA THR 86 4.917 -7.462 -0.528 636 HB THR 86 HB THR 86 4.805 -8.904 -2.460 637 HG1 THR 86 1HG THR 86 3.969 -10.087 -0.962 638 HG21 THR 86 3HG2 THR 86 7.507 -9.977 -1.648 639 HG22 THR 86 1HG2 THR 86 7.172 -8.967 -3.052 640 HG23 THR 86 2HG2 THR 86 6.508 -10.597 -2.968 641 H MET 87 H MET 87 8.389 -7.797 -0.682 642 HA MET 87 HA MET 87 8.336 -8.458 2.174 643 HB2 MET 87 2HB MET 87 8.954 -10.452 0.791 644 HB3 MET 87 1HB MET 87 10.311 -9.542 0.149 645 HG2 MET 87 2HG MET 87 11.081 -11.030 1.870 646 HG3 MET 87 1HG MET 87 11.223 -9.364 2.437 647 HE1 MET 87 3HE MET 87 10.383 -11.321 5.718 648 HE2 MET 87 1HE MET 87 11.506 -10.215 4.925 649 HE3 MET 87 2HE MET 87 11.378 -11.884 4.375 650 H VAL 88 H VAL 88 8.616 -6.172 2.613 651 HA VAL 88 HA VAL 88 11.350 -5.374 2.462 652 HB VAL 88 HB VAL 88 10.633 -4.766 0.198 653 HG11 VAL 88 1HG1 VAL 88 8.512 -3.170 1.559 654 HG12 VAL 88 2HG1 VAL 88 8.252 -4.563 0.529 655 HG13 VAL 88 3HG1 VAL 88 8.874 -3.056 -0.159 656 HG21 VAL 88 3HG2 VAL 88 12.243 -3.299 1.235 657 HG22 VAL 88 1HG2 VAL 88 10.954 -2.388 2.012 658 HG23 VAL 88 2HG2 VAL 88 11.130 -2.331 0.269 659 H THR 89 H THR 89 11.797 -3.704 3.877 660 HA THR 89 HA THR 89 10.045 -3.308 6.043 661 HB THR 89 HB THR 89 11.691 -1.449 6.546 662 HG1 THR 89 1HG THR 89 13.482 -2.668 4.823 663 HG21 THR 89 3HG2 THR 89 11.752 -3.467 7.668 664 HG22 THR 89 1HG2 THR 89 13.413 -3.036 7.264 665 HG23 THR 89 2HG2 THR 89 12.570 -4.313 6.336 666 H HIS 90 H HIS 90 9.227 -1.411 6.717 667 HA HIS 90 HA HIS 90 7.932 0.298 4.942 668 HB2 HIS 90 2HB HIS 90 7.387 0.022 7.306 669 HB3 HIS 90 1HB HIS 90 8.827 0.840 7.808 670 HD1 HIS 90 1HD HIS 90 5.395 1.401 7.563 671 HD2 HIS 90 2HD HIS 90 8.676 3.652 6.425 672 HE1 HIS 90 1HE HIS 90 4.537 3.668 7.100 673 H ASP 91 H ASP 91 11.060 0.526 6.516 674 HA ASP 91 HA ASP 91 11.799 3.129 5.827 675 HB2 ASP 91 2HB ASP 91 12.910 1.663 7.479 676 HB3 ASP 91 1HB ASP 91 13.590 0.750 6.150 677 H GLN 92 H GLN 92 12.539 0.039 4.256 678 HA GLN 92 HA GLN 92 13.960 1.335 2.160 679 HB2 GLN 92 2HB GLN 92 13.327 -1.413 2.887 680 HB3 GLN 92 1HB GLN 92 13.437 -1.171 1.155 681 HG2 GLN 92 2HG GLN 92 15.595 -1.820 1.708 682 HG3 GLN 92 1HG GLN 92 15.739 -0.074 1.731 683 HE21 GLN 92 1HE2 GLN 92 14.422 0.003 4.464 684 HE22 GLN 92 2HE2 GLN 92 15.642 -0.564 5.520 685 H ALA 93 H ALA 93 10.710 0.236 2.606 686 HA ALA 93 HA ALA 93 9.981 0.382 -0.133 687 HB1 ALA 93 1HB ALA 93 7.716 0.081 0.646 688 HB2 ALA 93 2HB ALA 93 8.233 0.401 2.299 689 HB3 ALA 93 3HB ALA 93 8.817 -1.031 1.453 690 H ARG 94 H ARG 94 9.830 2.612 2.590 691 HA ARG 94 HA ARG 94 8.299 4.618 1.497 692 HB2 ARG 94 2HB ARG 94 10.587 4.598 3.394 693 HB3 ARG 94 1HB ARG 94 10.007 6.182 2.853 694 HG2 ARG 94 2HG ARG 94 8.442 4.034 4.258 695 HG3 ARG 94 1HG ARG 94 9.116 5.480 5.008 696 HD2 ARG 94 2HD ARG 94 7.079 5.479 2.788 697 HD3 ARG 94 1HD ARG 94 6.677 5.638 4.501 698 HE ARG 94 HE ARG 94 8.585 7.563 3.530 699 HH11 ARG 94 1HH1 ARG 94 5.159 6.972 4.178 700 HH12 ARG 94 2HH1 ARG 94 4.681 8.580 3.970 701 HH21 ARG 94 1HH2 ARG 94 7.948 9.780 3.269 702 HH22 ARG 94 2HH2 ARG 94 6.317 10.226 3.440 703 H LYS 95 H LYS 95 11.668 4.003 1.063 704 HA LYS 95 HA LYS 95 11.886 6.166 -0.861 705 HB2 LYS 95 2HB LYS 95 14.321 5.382 -0.979 706 HB3 LYS 95 1HB LYS 95 13.778 6.069 0.541 707 HG2 LYS 95 2HG LYS 95 13.436 3.721 1.369 708 HG3 LYS 95 1HG LYS 95 14.215 3.168 -0.112 709 HD2 LYS 95 2HD LYS 95 16.250 4.290 0.463 710 HD3 LYS 95 1HD LYS 95 15.469 5.098 1.823 711 HE2 LYS 95 2HE LYS 95 15.133 2.950 2.918 712 HE3 LYS 95 1HE LYS 95 15.899 2.129 1.556 713 HZ1 LYS 95 3HZ LYS 95 17.214 4.130 3.302 714 HZ2 LYS 95 1HZ LYS 95 17.954 3.245 2.072 715 HZ3 LYS 95 2HZ LYS 95 17.380 2.463 3.450 716 H ARG 96 H ARG 96 10.195 3.889 -1.333 717 HA ARG 96 HA ARG 96 11.165 3.280 -3.995 718 HB2 ARG 96 2HB ARG 96 9.844 1.261 -2.166 719 HB3 ARG 96 1HB ARG 96 10.183 0.991 -3.869 720 HG2 ARG 96 2HG ARG 96 12.277 1.518 -1.761 721 HG3 ARG 96 1HG ARG 96 11.823 -0.072 -2.358 722 HD2 ARG 96 2HD ARG 96 12.655 0.415 -4.528 723 HD3 ARG 96 1HD ARG 96 12.844 2.125 -4.149 724 HE ARG 96 HE ARG 96 14.444 0.975 -2.345 725 HH11 ARG 96 1HH1 ARG 96 14.200 0.354 -5.826 726 HH12 ARG 96 2HH1 ARG 96 15.860 0.104 -6.039 727 HH21 ARG 96 1HH2 ARG 96 16.727 0.703 -2.666 728 HH22 ARG 96 2HH2 ARG 96 17.348 0.335 -4.210 729 H LEU 97 H LEU 97 8.455 3.878 -1.846 730 HA LEU 97 HA LEU 97 6.922 4.299 -4.302 731 HB2 LEU 97 2HB LEU 97 4.899 4.001 -3.172 732 HB3 LEU 97 1HB LEU 97 5.962 2.833 -2.441 733 HG LEU 97 HG LEU 97 4.693 3.595 -0.723 734 HD11 LEU 97 1HD1 LEU 97 6.872 3.543 0.039 735 HD12 LEU 97 2HD1 LEU 97 6.037 4.894 0.813 736 HD13 LEU 97 3HD1 LEU 97 7.171 5.192 -0.509 737 HD21 LEU 97 3HD2 LEU 97 3.537 5.445 -1.731 738 HD22 LEU 97 1HD2 LEU 97 4.991 6.439 -1.650 739 HD23 LEU 97 2HD2 LEU 97 4.180 5.945 -0.167 740 H THR 98 H THR 98 8.307 6.051 -1.643 741 HA THR 98 HA THR 98 7.106 8.365 -2.907 742 HB THR 98 HB THR 98 6.225 8.309 -0.678 743 HG1 THR 98 1HG THR 98 8.078 10.252 -1.280 744 HG21 THR 98 3HG2 THR 98 7.629 8.425 1.347 745 HG22 THR 98 1HG2 THR 98 9.069 8.225 0.349 746 HG23 THR 98 2HG2 THR 98 7.872 6.929 0.467 747 H LYS 99 H LYS 99 9.594 6.788 -3.285 748 HA LYS 99 HA LYS 99 11.752 8.588 -3.229 749 HB2 LYS 99 2HB LYS 99 12.581 7.267 -5.206 750 HB3 LYS 99 1HB LYS 99 12.145 6.298 -3.797 751 HG2 LYS 99 2HG LYS 99 10.269 5.426 -4.783 752 HG3 LYS 99 1HG LYS 99 10.118 6.754 -5.931 753 HD2 LYS 99 2HD LYS 99 10.829 4.518 -6.872 754 HD3 LYS 99 1HD LYS 99 11.841 5.891 -7.298 755 HE2 LYS 99 2HE LYS 99 13.491 5.249 -5.730 756 HE3 LYS 99 1HE LYS 99 12.474 4.025 -5.015 757 HZ1 LYS 99 3HZ LYS 99 12.616 2.725 -7.000 758 HZ2 LYS 99 1HZ LYS 99 14.194 3.158 -6.613 759 HZ3 LYS 99 2HZ LYS 99 13.350 3.948 -7.867 760 H ARG 100 H ARG 100 12.610 9.646 -5.276 761 HA ARG 100 HA ARG 100 10.399 10.684 -6.907 762 HB2 ARG 100 2HB ARG 100 11.649 12.864 -6.995 763 HB3 ARG 100 1HB ARG 100 10.962 12.474 -5.429 764 HG2 ARG 100 2HG ARG 100 13.128 11.725 -4.660 765 HG3 ARG 100 1HG ARG 100 13.800 12.085 -6.261 766 HD2 ARG 100 2HD ARG 100 12.503 14.089 -4.391 767 HD3 ARG 100 1HD ARG 100 14.243 13.886 -4.564 768 HE ARG 100 HE ARG 100 13.472 14.333 -7.072 769 HH11 ARG 100 1HH1 ARG 100 12.762 16.133 -4.070 770 HH12 ARG 100 2HH1 ARG 100 12.581 17.625 -4.856 771 HH21 ARG 100 1HH2 ARG 100 13.269 16.440 -8.117 772 HH22 ARG 100 2HH2 ARG 100 12.900 17.806 -7.183 773 H SER 101 H SER 101 12.877 8.804 -6.862 774 HA SER 101 HA SER 101 14.611 9.401 -8.905 775 HB2 SER 101 2HB SER 101 13.487 6.773 -8.044 776 HB3 SER 101 1HB SER 101 15.132 7.050 -8.683 777 HG SER 101 HG SER 101 15.661 7.402 -6.686 778 H GLU 102 H GLU 102 11.510 7.717 -8.838 779 HA GLU 102 HA GLU 102 11.520 7.591 -11.762 780 HB2 GLU 102 2HB GLU 102 10.306 5.744 -9.729 781 HB3 GLU 102 1HB GLU 102 9.626 5.835 -11.342 782 HG2 GLU 102 2HG GLU 102 11.146 3.968 -11.162 783 HG3 GLU 102 1HG GLU 102 11.766 5.153 -12.294 784 H GLU 103 H GLU 103 9.021 7.349 -12.484 785 HA GLU 103 HA GLU 103 7.586 9.479 -11.115 786 HB2 GLU 103 2HB GLU 103 6.923 10.346 -13.407 787 HB3 GLU 103 1HB GLU 103 8.566 10.694 -12.858 788 HG2 GLU 103 2HG GLU 103 9.239 8.725 -14.245 789 HG3 GLU 103 1HG GLU 103 7.606 8.725 -14.895 790 H VAL 104 H VAL 104 7.086 7.295 -13.878 791 HA VAL 104 HA VAL 104 4.387 6.855 -12.858 792 HB VAL 104 HB VAL 104 5.521 5.703 -15.409 793 HG11 VAL 104 1HG1 VAL 104 3.679 4.482 -14.705 794 HG12 VAL 104 2HG1 VAL 104 3.089 5.548 -15.995 795 HG13 VAL 104 3HG1 VAL 104 2.795 5.930 -14.291 796 HG21 VAL 104 3HG2 VAL 104 5.651 8.084 -15.490 797 HG22 VAL 104 1HG2 VAL 104 3.942 8.233 -15.057 798 HG23 VAL 104 2HG2 VAL 104 4.413 7.476 -16.602 799 H VAL 105 H VAL 105 3.902 5.167 -11.842 800 HA VAL 105 HA VAL 105 5.760 2.914 -11.845 801 HB VAL 105 HB VAL 105 5.232 2.639 -9.417 802 HG11 VAL 105 1HG1 VAL 105 6.503 5.284 -10.156 803 HG12 VAL 105 2HG1 VAL 105 7.329 3.728 -10.111 804 HG13 VAL 105 3HG1 VAL 105 6.707 4.438 -8.621 805 HG21 VAL 105 3HG2 VAL 105 4.040 5.378 -9.741 806 HG22 VAL 105 1HG2 VAL 105 4.280 4.514 -8.222 807 HG23 VAL 105 2HG2 VAL 105 3.147 3.891 -9.439 808 H ARG 106 H ARG 106 4.790 0.940 -11.350 809 HA ARG 106 HA ARG 106 1.880 0.796 -11.661 810 HB2 ARG 106 2HB ARG 106 3.967 -1.030 -12.884 811 HB3 ARG 106 1HB ARG 106 2.249 -1.360 -12.871 812 HG2 ARG 106 2HG ARG 106 1.837 0.644 -14.212 813 HG3 ARG 106 1HG ARG 106 3.571 0.970 -14.241 814 HD2 ARG 106 2HD ARG 106 3.967 -1.128 -15.388 815 HD3 ARG 106 1HD ARG 106 2.247 -1.510 -15.307 816 HE ARG 106 HE ARG 106 2.126 0.774 -16.563 817 HH11 ARG 106 1HH1 ARG 106 4.384 -1.909 -17.115 818 HH12 ARG 106 2HH1 ARG 106 4.557 -1.607 -18.776 819 HH21 ARG 106 1HH2 ARG 106 2.356 1.137 -18.848 820 HH22 ARG 106 2HH2 ARG 106 3.381 0.148 -19.791 821 H LEU 107 H LEU 107 1.078 -0.110 -9.812 822 HA LEU 107 HA LEU 107 3.017 -1.696 -8.356 823 HB2 LEU 107 2HB LEU 107 0.725 -0.224 -7.090 824 HB3 LEU 107 1HB LEU 107 2.180 -0.830 -6.350 825 HG LEU 107 HG LEU 107 2.478 1.465 -6.256 826 HD11 LEU 107 1HD1 LEU 107 4.424 0.495 -7.127 827 HD12 LEU 107 2HD1 LEU 107 4.199 2.160 -7.651 828 HD13 LEU 107 3HD1 LEU 107 3.875 0.826 -8.766 829 HD21 LEU 107 3HD2 LEU 107 0.582 2.113 -7.555 830 HD22 LEU 107 1HD2 LEU 107 1.456 1.777 -9.051 831 HD23 LEU 107 2HD2 LEU 107 1.998 3.072 -7.968 832 H LEU 108 H LEU 108 2.173 -3.492 -7.405 833 HA LEU 108 HA LEU 108 -0.459 -4.227 -8.375 834 HB2 LEU 108 2HB LEU 108 2.035 -5.710 -8.249 835 HB3 LEU 108 1HB LEU 108 0.658 -6.618 -7.679 836 HG LEU 108 HG LEU 108 -0.446 -5.968 -9.843 837 HD11 LEU 108 1HD1 LEU 108 1.056 -5.406 -11.748 838 HD12 LEU 108 2HD1 LEU 108 2.394 -5.253 -10.615 839 HD13 LEU 108 3HD1 LEU 108 1.022 -4.149 -10.513 840 HD21 LEU 108 3HD2 LEU 108 0.680 -7.758 -11.141 841 HD22 LEU 108 1HD2 LEU 108 0.350 -8.218 -9.473 842 HD23 LEU 108 2HD2 LEU 108 1.983 -7.757 -9.957 843 H VAL 109 H VAL 109 -1.879 -4.503 -7.019 844 HA VAL 109 HA VAL 109 -1.052 -4.763 -4.227 845 HB VAL 109 HB VAL 109 -2.998 -3.501 -3.524 846 HG11 VAL 109 1HG1 VAL 109 -1.221 -1.998 -5.446 847 HG12 VAL 109 2HG1 VAL 109 -0.874 -2.358 -3.755 848 HG13 VAL 109 3HG1 VAL 109 -2.194 -1.258 -4.169 849 HG21 VAL 109 3HG2 VAL 109 -4.459 -3.850 -5.400 850 HG22 VAL 109 1HG2 VAL 109 -3.385 -2.901 -6.428 851 HG23 VAL 109 2HG2 VAL 109 -4.249 -2.120 -5.100 852 H THR 110 H THR 110 -2.274 -5.920 -2.869 853 HA THR 110 HA THR 110 -4.098 -7.748 -4.215 854 HB THR 110 HB THR 110 -3.418 -9.424 -2.526 855 HG1 THR 110 1HG THR 110 -1.483 -7.397 -1.866 856 HG21 THR 110 3HG2 THR 110 -1.374 -10.040 -3.634 857 HG22 THR 110 1HG2 THR 110 -1.072 -8.349 -4.074 858 HG23 THR 110 2HG2 THR 110 -2.412 -9.192 -4.798 859 H ARG 111 H ARG 111 -6.058 -7.790 -3.398 860 HA ARG 111 HA ARG 111 -6.530 -6.304 -0.955 861 HB2 ARG 111 2HB ARG 111 -8.394 -7.054 -3.186 862 HB3 ARG 111 1HB ARG 111 -8.903 -6.237 -1.690 863 HG2 ARG 111 2HG ARG 111 -7.331 -4.442 -2.125 864 HG3 ARG 111 1HG ARG 111 -6.804 -5.242 -3.588 865 HD2 ARG 111 2HD ARG 111 -8.938 -4.834 -4.625 866 HD3 ARG 111 1HD ARG 111 -9.577 -4.171 -3.104 867 HE ARG 111 HE ARG 111 -7.457 -2.703 -3.358 868 HH11 ARG 111 1HH1 ARG 111 -9.993 -3.315 -5.706 869 HH12 ARG 111 2HH1 ARG 111 -9.579 -2.016 -6.738 870 HH21 ARG 111 1HH2 ARG 111 -6.866 -0.992 -4.628 871 HH22 ARG 111 2HH2 ARG 111 -7.668 -0.556 -6.076 872 H GLN 112 H GLN 112 -6.195 -7.487 0.605 873 HA GLN 112 HA GLN 112 -6.876 -10.279 0.735 874 HB2 GLN 112 2HB GLN 112 -5.879 -8.440 2.899 875 HB3 GLN 112 1HB GLN 112 -5.905 -10.191 2.952 876 HG2 GLN 112 2HG GLN 112 -4.249 -8.484 1.119 877 HG3 GLN 112 1HG GLN 112 -3.661 -9.359 2.541 878 HE21 GLN 112 1HE2 GLN 112 -4.388 -9.439 -0.749 879 HE22 GLN 112 2HE2 GLN 112 -3.966 -11.091 -1.034 880 H SER 113 H SER 113 -7.969 -7.302 2.330 881 HA SER 113 HA SER 113 -10.482 -8.613 2.996 882 HB2 SER 113 2HB SER 113 -9.001 -8.811 4.996 883 HB3 SER 113 1HB SER 113 -8.805 -7.060 5.000 884 HG SER 113 HG SER 113 -11.064 -6.907 5.267 885 H LEU 114 H LEU 114 -9.344 -6.641 1.179 886 HA LEU 114 HA LEU 114 -11.158 -4.400 1.696 887 HB2 LEU 114 2HB LEU 114 -8.294 -4.249 0.688 888 HB3 LEU 114 1HB LEU 114 -9.437 -2.961 0.435 889 HG LEU 114 HG LEU 114 -8.028 -2.317 2.199 890 HD11 LEU 114 1HD1 LEU 114 -9.525 -1.985 4.081 891 HD12 LEU 114 2HD1 LEU 114 -10.627 -3.181 3.407 892 HD13 LEU 114 3HD1 LEU 114 -10.305 -1.684 2.527 893 HD21 LEU 114 3HD2 LEU 114 -8.641 -4.923 3.596 894 HD22 LEU 114 1HD2 LEU 114 -7.707 -3.594 4.286 895 HD23 LEU 114 2HD2 LEU 114 -7.099 -4.460 2.877 896 H GLN 115 H GLN 115 -11.754 -6.657 0.394 897 HA GLN 115 HA GLN 115 -11.149 -6.621 -2.418 898 HB2 GLN 115 2HB GLN 115 -11.600 -8.658 -0.988 899 HB3 GLN 115 1HB GLN 115 -13.277 -8.151 -0.921 900 HG2 GLN 115 2HG GLN 115 -13.026 -9.881 -2.551 901 HG3 GLN 115 1HG GLN 115 -13.404 -8.361 -3.363 902 HE21 GLN 115 1HE2 GLN 115 -10.911 -10.707 -2.705 903 HE22 GLN 115 2HE2 GLN 115 -9.879 -10.187 -3.989 904 H LYS 116 H LYS 116 -13.480 -5.265 -0.316 905 HA LYS 116 HA LYS 116 -15.226 -3.920 -0.481 906 HB2 LYS 116 2HB LYS 116 -14.388 -3.667 -3.370 907 HB3 LYS 116 1HB LYS 116 -15.867 -2.916 -2.801 908 HG2 LYS 116 2HG LYS 116 -14.189 -1.227 -2.844 909 HG3 LYS 116 1HG LYS 116 -14.440 -1.629 -1.152 910 HD2 LYS 116 2HD LYS 116 -12.457 -3.112 -1.262 911 HD3 LYS 116 1HD LYS 116 -12.203 -2.587 -2.925 912 HE2 LYS 116 2HE LYS 116 -10.741 -1.372 -1.408 913 HE3 LYS 116 1HE LYS 116 -11.913 -0.279 -2.139 914 HZ1 LYS 116 3HZ LYS 116 -11.579 0.058 0.266 915 HZ2 LYS 116 1HZ LYS 116 -12.235 -1.467 0.568 916 HZ3 LYS 116 2HZ LYS 116 -13.168 -0.253 -0.140 917 H ALA 117 H ALA 117 -17.391 -3.668 -1.789 918 HA ALA 117 HA ALA 117 -18.324 -6.151 -2.872 919 HB1 ALA 117 1HB ALA 117 -18.694 -6.469 -0.456 920 HB2 ALA 117 2HB ALA 117 -20.223 -6.271 -1.308 921 HB3 ALA 117 3HB ALA 117 -19.552 -4.927 -0.389 922 H VAL 118 H VAL 118 -20.593 -5.778 -3.612 923 HA VAL 118 HA VAL 118 -21.935 -4.727 -4.988 924 HB VAL 118 HB VAL 118 -21.328 -2.189 -3.414 925 HG11 VAL 118 1HG1 VAL 118 -23.667 -2.843 -5.220 926 HG12 VAL 118 2HG1 VAL 118 -22.370 -1.703 -5.572 927 HG13 VAL 118 3HG1 VAL 118 -23.494 -1.376 -4.254 928 HG21 VAL 118 3HG2 VAL 118 -23.559 -4.194 -3.049 929 HG22 VAL 118 1HG2 VAL 118 -23.385 -2.681 -2.158 930 HG23 VAL 118 2HG2 VAL 118 -22.190 -3.964 -1.961 931 H GLN 119 H GLN 119 -20.409 -5.307 -6.491 932 HA GLN 119 HA GLN 119 -18.711 -3.236 -7.598 933 HB2 GLN 119 2HB GLN 119 -19.306 -6.027 -8.620 934 HB3 GLN 119 1HB GLN 119 -18.052 -4.960 -9.229 935 HG2 GLN 119 2HG GLN 119 -18.167 -6.157 -6.458 936 HG3 GLN 119 1HG GLN 119 -17.118 -6.682 -7.769 937 HE21 GLN 119 1HE2 GLN 119 -15.370 -5.393 -8.331 938 HE22 GLN 119 2HE2 GLN 119 -14.741 -4.185 -7.297 939 H GLN 120 H GLN 120 -21.821 -3.757 -7.579 940 HA GLN 120 HA GLN 120 -22.539 -3.459 -10.325 941 HB2 GLN 120 2HB GLN 120 -24.200 -3.165 -7.821 942 HB3 GLN 120 1HB GLN 120 -24.843 -3.089 -9.455 943 HG2 GLN 120 2HG GLN 120 -23.483 -5.450 -8.185 944 HG3 GLN 120 1HG GLN 120 -25.211 -5.273 -8.492 945 HE21 GLN 120 1HE2 GLN 120 -23.251 -7.214 -9.432 946 HE22 GLN 120 2HE2 GLN 120 -23.365 -7.243 -11.144 947 H SER 121 H SER 121 -21.023 -1.711 -10.502 948 HA SER 121 HA SER 121 -22.443 0.841 -10.222 949 HB2 SER 121 2HB SER 121 -20.459 0.601 -8.661 950 HB3 SER 121 1HB SER 121 -19.433 0.397 -10.073 951 HG SER 121 HG SER 121 -20.741 2.650 -9.094 952 H MET 122 H MET 122 -21.844 -1.503 -12.192 953 HA MET 122 HA MET 122 -21.613 0.004 -14.588 954 HB2 MET 122 2HB MET 122 -19.589 -1.077 -15.408 955 HB3 MET 122 1HB MET 122 -19.215 -0.208 -13.929 956 HG2 MET 122 2HG MET 122 -19.303 -2.304 -12.666 957 HG3 MET 122 1HG MET 122 -19.678 -3.181 -14.148 958 HE1 MET 122 3HE MET 122 -17.670 -4.857 -13.773 959 HE2 MET 122 1HE MET 122 -17.336 -4.042 -12.242 960 HE3 MET 122 2HE MET 122 -16.031 -4.335 -13.389 961 H LEU 123 H LEU 123 -21.412 -1.810 -16.398 962 HA LEU 123 HA LEU 123 -22.434 -3.406 -17.489 963 HB2 LEU 123 2HB LEU 123 -20.872 -4.803 -16.198 964 HB3 LEU 123 1HB LEU 123 -22.073 -4.979 -14.938 965 HG LEU 123 HG LEU 123 -23.503 -6.258 -16.456 966 HD11 LEU 123 1HD1 LEU 123 -22.885 -5.231 -18.565 967 HD12 LEU 123 2HD1 LEU 123 -22.634 -6.977 -18.639 968 HD13 LEU 123 3HD1 LEU 123 -21.257 -5.895 -18.433 969 HD21 LEU 123 3HD2 LEU 123 -21.891 -7.431 -15.078 970 HD22 LEU 123 1HD2 LEU 123 -20.658 -7.235 -16.324 971 HD23 LEU 123 2HD2 LEU 123 -22.073 -8.234 -16.641 972 H SER 124 H SER 124 -24.204 -2.005 -17.460 973 HA SER 124 HA SER 124 -26.618 -3.343 -16.719 974 HB2 SER 124 2HB SER 124 -26.068 -0.499 -15.772 975 HB3 SER 124 1HB SER 124 -27.573 -1.392 -15.564 976 HG SER 124 HG SER 124 -25.560 -2.843 -14.682 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -0.755 -6.475 -23.118 2 H2 GLY 1 2HT GLY 1 -0.992 -7.649 -24.303 3 H3 GLY 1 3HT GLY 1 0.586 -7.246 -23.808 4 HA2 GLY 1 1HA GLY 1 -0.147 -9.344 -22.839 5 HA3 GLY 1 2HA GLY 1 0.113 -8.100 -21.617 6 H SER 2 H SER 2 -1.539 -10.314 -21.196 7 HA SER 2 HA SER 2 -4.210 -9.143 -21.337 8 HB2 SER 2 2HB SER 2 -3.335 -11.975 -20.741 9 HB3 SER 2 1HB SER 2 -5.009 -11.429 -20.865 10 HG SER 2 HG SER 2 -4.711 -10.956 -22.968 11 H TYR 3 H TYR 3 -1.690 -10.194 -19.177 12 HA TYR 3 HA TYR 3 -1.297 -10.003 -17.049 13 HB2 TYR 3 2HB TYR 3 -1.793 -7.656 -17.159 14 HB3 TYR 3 1HB TYR 3 -3.521 -7.965 -17.118 15 HD1 TYR 3 2HD TYR 3 -0.677 -9.116 -14.986 16 HD2 TYR 3 1HD TYR 3 -4.419 -7.126 -15.169 17 HE1 TYR 3 2HE TYR 3 -0.663 -8.869 -12.538 18 HE2 TYR 3 1HE TYR 3 -4.413 -6.863 -12.728 19 HH TYR 3 HH TYR 3 -1.653 -7.441 -10.843 20 H ILE 4 H ILE 4 -1.603 -11.996 -16.539 21 HA ILE 4 HA ILE 4 -4.123 -12.659 -15.190 22 HB ILE 4 HB ILE 4 -2.001 -14.587 -16.208 23 HG12 ILE 4 2HG1 ILE 4 -3.082 -13.516 -18.137 24 HG13 ILE 4 1HG1 ILE 4 -3.561 -15.202 -18.017 25 HG21 ILE 4 1HG2 ILE 4 -3.706 -16.324 -15.821 26 HG22 ILE 4 2HG2 ILE 4 -4.787 -15.098 -15.165 27 HG23 ILE 4 3HG2 ILE 4 -3.271 -15.466 -14.343 28 HD11 ILE 4 3HD1 ILE 4 -5.415 -13.791 -18.631 29 HD12 ILE 4 1HD1 ILE 4 -5.185 -12.821 -17.180 30 HD13 ILE 4 2HD1 ILE 4 -5.694 -14.507 -17.037 31 HA PRO 5 HA PRO 5 -0.915 -11.988 -11.970 32 HB2 PRO 5 2HB PRO 5 -2.719 -11.649 -9.981 33 HB3 PRO 5 1HB PRO 5 -2.115 -10.311 -10.982 34 HG2 PRO 5 2HG PRO 5 -4.707 -11.780 -11.082 35 HG3 PRO 5 1HG PRO 5 -4.359 -10.089 -11.468 36 HD2 PRO 5 2HD PRO 5 -4.759 -12.031 -13.338 37 HD3 PRO 5 1HD PRO 5 -3.782 -10.576 -13.621 38 H GLY 6 H GLY 6 -0.523 -13.017 -9.932 39 HA2 GLY 6 2HA GLY 6 -1.370 -15.786 -9.897 40 HA3 GLY 6 1HA GLY 6 -0.148 -15.051 -8.856 41 H GLN 7 H GLN 7 -3.483 -14.301 -9.519 42 HA GLN 7 HA GLN 7 -4.145 -13.550 -6.908 43 HB2 GLN 7 2HB GLN 7 -5.411 -12.749 -8.757 44 HB3 GLN 7 1HB GLN 7 -5.906 -14.382 -9.216 45 HG2 GLN 7 2HG GLN 7 -7.160 -14.530 -7.096 46 HG3 GLN 7 1HG GLN 7 -6.687 -12.879 -6.725 47 HE21 GLN 7 1HE2 GLN 7 -7.007 -12.062 -9.581 48 HE22 GLN 7 2HE2 GLN 7 -8.700 -11.946 -9.802 49 HA PRO 8 HA PRO 8 -4.547 -17.620 -5.104 50 HB2 PRO 8 2HB PRO 8 -5.733 -16.733 -2.762 51 HB3 PRO 8 1HB PRO 8 -3.989 -16.776 -3.029 52 HG2 PRO 8 2HG PRO 8 -5.877 -14.474 -3.184 53 HG3 PRO 8 1HG PRO 8 -4.199 -14.518 -2.628 54 HD2 PRO 8 2HD PRO 8 -4.947 -13.565 -5.071 55 HD3 PRO 8 1HD PRO 8 -3.362 -14.301 -4.745 56 H VAL 9 H VAL 9 -7.132 -15.411 -4.248 57 HA VAL 9 HA VAL 9 -9.204 -15.714 -5.783 58 HB VAL 9 HB VAL 9 -10.831 -17.278 -4.537 59 HG11 VAL 9 1HG1 VAL 9 -10.367 -19.242 -5.938 60 HG12 VAL 9 2HG1 VAL 9 -8.806 -18.532 -6.360 61 HG13 VAL 9 3HG1 VAL 9 -10.297 -17.716 -6.820 62 HG21 VAL 9 3HG2 VAL 9 -8.293 -18.705 -3.787 63 HG22 VAL 9 1HG2 VAL 9 -9.930 -19.320 -3.536 64 HG23 VAL 9 2HG2 VAL 9 -9.372 -17.863 -2.684 65 H THR 10 H THR 10 -8.344 -15.989 -2.389 66 HA THR 10 HA THR 10 -10.694 -14.596 -1.559 67 HB THR 10 HB THR 10 -9.550 -16.280 -0.148 68 HG1 THR 10 1HG THR 10 -10.436 -13.816 0.578 69 HG21 THR 10 3HG2 THR 10 -7.482 -14.106 0.259 70 HG22 THR 10 1HG2 THR 10 -7.213 -15.651 -0.542 71 HG23 THR 10 2HG2 THR 10 -7.565 -15.607 1.183 72 H ALA 11 H ALA 11 -7.700 -13.729 -2.726 73 HA ALA 11 HA ALA 11 -8.351 -10.947 -2.124 74 HB1 ALA 11 1HB ALA 11 -5.981 -10.469 -2.099 75 HB2 ALA 11 2HB ALA 11 -5.663 -12.233 -2.148 76 HB3 ALA 11 3HB ALA 11 -6.470 -11.513 -0.744 77 H VAL 12 H VAL 12 -8.237 -9.693 -3.822 78 HA VAL 12 HA VAL 12 -7.632 -10.995 -6.367 79 HB VAL 12 HB VAL 12 -9.028 -8.340 -5.871 80 HG11 VAL 12 1HG1 VAL 12 -9.697 -8.487 -8.235 81 HG12 VAL 12 2HG1 VAL 12 -8.732 -9.950 -8.410 82 HG13 VAL 12 3HG1 VAL 12 -7.944 -8.414 -8.050 83 HG21 VAL 12 3HG2 VAL 12 -10.374 -10.204 -5.053 84 HG22 VAL 12 1HG2 VAL 12 -10.200 -11.020 -6.606 85 HG23 VAL 12 2HG2 VAL 12 -11.097 -9.503 -6.500 86 H VAL 13 H VAL 13 -5.669 -10.658 -7.142 87 HA VAL 13 HA VAL 13 -4.106 -8.390 -6.253 88 HB VAL 13 HB VAL 13 -3.432 -10.345 -8.444 89 HG11 VAL 13 1HG1 VAL 13 -1.677 -8.600 -6.729 90 HG12 VAL 13 2HG1 VAL 13 -2.049 -8.375 -8.438 91 HG13 VAL 13 3HG1 VAL 13 -1.085 -9.759 -7.919 92 HG21 VAL 13 3HG2 VAL 13 -2.594 -10.650 -5.566 93 HG22 VAL 13 1HG2 VAL 13 -2.238 -11.745 -6.890 94 HG23 VAL 13 2HG2 VAL 13 -3.904 -11.566 -6.309 95 H GLN 14 H GLN 14 -4.273 -6.520 -7.318 96 HA GLN 14 HA GLN 14 -5.079 -6.565 -10.131 97 HB2 GLN 14 2HB GLN 14 -6.604 -4.659 -9.737 98 HB3 GLN 14 1HB GLN 14 -7.086 -6.078 -8.824 99 HG2 GLN 14 2HG GLN 14 -7.266 -4.628 -7.072 100 HG3 GLN 14 1HG GLN 14 -5.525 -4.759 -7.036 101 HE21 GLN 14 1HE2 GLN 14 -4.293 -3.125 -7.842 102 HE22 GLN 14 2HE2 GLN 14 -4.956 -1.545 -8.096 103 H ARG 15 H ARG 15 -4.396 -4.647 -11.322 104 HA ARG 15 HA ARG 15 -1.832 -3.814 -10.209 105 HB2 ARG 15 2HB ARG 15 -0.989 -3.753 -12.364 106 HB3 ARG 15 1HB ARG 15 -2.207 -4.996 -12.521 107 HG2 ARG 15 2HG ARG 15 -2.712 -3.818 -14.400 108 HG3 ARG 15 1HG ARG 15 -3.648 -2.845 -13.262 109 HD2 ARG 15 2HD ARG 15 -1.686 -1.387 -12.937 110 HD3 ARG 15 1HD ARG 15 -0.825 -2.311 -14.159 111 HE ARG 15 HE ARG 15 -3.331 -1.088 -14.931 112 HH11 ARG 15 1HH1 ARG 15 0.195 -1.115 -15.138 113 HH12 ARG 15 2HH1 ARG 15 0.323 0.282 -16.108 114 HH21 ARG 15 1HH2 ARG 15 -3.172 0.808 -16.406 115 HH22 ARG 15 2HH2 ARG 15 -1.640 1.371 -16.868 116 H VAL 16 H VAL 16 -1.160 -1.665 -10.130 117 HA VAL 16 HA VAL 16 -3.213 0.395 -10.634 118 HB VAL 16 HB VAL 16 -1.123 1.039 -8.646 119 HG11 VAL 16 1HG1 VAL 16 -4.015 1.624 -8.683 120 HG12 VAL 16 2HG1 VAL 16 -2.680 2.607 -9.286 121 HG13 VAL 16 3HG1 VAL 16 -2.797 2.257 -7.566 122 HG21 VAL 16 3HG2 VAL 16 -3.381 -0.759 -7.777 123 HG22 VAL 16 1HG2 VAL 16 -2.204 0.027 -6.731 124 HG23 VAL 16 2HG2 VAL 16 -1.681 -1.229 -7.853 125 H GLU 17 H GLU 17 -2.185 2.497 -11.198 126 HA GLU 17 HA GLU 17 0.614 2.399 -11.821 127 HB2 GLU 17 2HB GLU 17 -0.435 1.457 -13.807 128 HB3 GLU 17 1HB GLU 17 -1.496 2.846 -13.918 129 HG2 GLU 17 2HG GLU 17 0.288 4.275 -14.514 130 HG3 GLU 17 1HG GLU 17 1.476 3.040 -14.083 131 H ILE 18 H ILE 18 1.261 4.019 -10.770 132 HA ILE 18 HA ILE 18 -0.357 6.432 -10.624 133 HB ILE 18 HB ILE 18 1.898 5.399 -8.922 134 HG12 ILE 18 2HG1 ILE 18 0.339 6.388 -7.074 135 HG13 ILE 18 1HG1 ILE 18 -0.825 6.505 -8.385 136 HG21 ILE 18 1HG2 ILE 18 2.154 7.566 -7.794 137 HG22 ILE 18 2HG2 ILE 18 1.177 8.309 -9.059 138 HG23 ILE 18 3HG2 ILE 18 2.722 7.563 -9.462 139 HD11 ILE 18 3HD1 ILE 18 -1.102 4.565 -6.936 140 HD12 ILE 18 1HD1 ILE 18 0.455 3.963 -7.467 141 HD13 ILE 18 2HD1 ILE 18 -0.869 4.128 -8.640 142 H HIS 19 H HIS 19 0.020 8.109 -11.753 143 HA HIS 19 HA HIS 19 2.487 8.295 -13.273 144 HB2 HIS 19 2HB HIS 19 -0.156 9.714 -13.469 145 HB3 HIS 19 1HB HIS 19 1.235 10.226 -14.427 146 HD1 HIS 19 1HD HIS 19 -0.971 9.564 -16.194 147 HD2 HIS 19 2HD HIS 19 1.338 6.589 -14.484 148 HE1 HIS 19 1HE HIS 19 -1.327 7.529 -17.626 149 H LYS 20 H LYS 20 3.541 10.356 -13.412 150 HA LYS 20 HA LYS 20 4.565 11.605 -11.245 151 HB2 LYS 20 2HB LYS 20 5.214 11.969 -13.586 152 HB3 LYS 20 1HB LYS 20 3.763 12.902 -13.840 153 HG2 LYS 20 2HG LYS 20 4.610 14.535 -12.119 154 HG3 LYS 20 1HG LYS 20 6.118 13.604 -12.136 155 HD2 LYS 20 2HD LYS 20 4.888 14.895 -14.562 156 HD3 LYS 20 1HD LYS 20 6.200 15.584 -13.611 157 HE2 LYS 20 2HE LYS 20 7.619 13.691 -14.142 158 HE3 LYS 20 1HE LYS 20 6.299 12.910 -15.005 159 HZ1 LYS 20 3HZ LYS 20 6.336 14.677 -16.623 160 HZ2 LYS 20 1HZ LYS 20 7.852 13.996 -16.478 161 HZ3 LYS 20 2HZ LYS 20 7.547 15.487 -15.772 162 H LEU 21 H LEU 21 3.839 12.672 -9.571 163 HA LEU 21 HA LEU 21 1.841 14.767 -9.957 164 HB2 LEU 21 2HB LEU 21 0.686 12.897 -8.908 165 HB3 LEU 21 1HB LEU 21 1.951 12.788 -7.713 166 HG LEU 21 HG LEU 21 1.372 15.161 -7.020 167 HD11 LEU 21 1HD1 LEU 21 0.184 15.870 -8.972 168 HD12 LEU 21 2HD1 LEU 21 -0.837 16.024 -7.548 169 HD13 LEU 21 3HD1 LEU 21 -1.087 14.685 -8.672 170 HD21 LEU 21 3HD2 LEU 21 0.673 13.185 -5.717 171 HD22 LEU 21 1HD2 LEU 21 -0.844 13.163 -6.610 172 HD23 LEU 21 2HD2 LEU 21 -0.453 14.537 -5.574 173 H ARG 22 H ARG 22 2.502 16.646 -9.079 174 HA ARG 22 HA ARG 22 4.882 16.644 -7.354 175 HB2 ARG 22 2HB ARG 22 3.443 18.985 -8.580 176 HB3 ARG 22 1HB ARG 22 5.026 18.978 -7.838 177 HG2 ARG 22 2HG ARG 22 5.921 17.709 -9.697 178 HG3 ARG 22 1HG ARG 22 4.311 17.598 -10.419 179 HD2 ARG 22 2HD ARG 22 5.921 20.100 -9.928 180 HD3 ARG 22 1HD ARG 22 5.469 19.418 -11.496 181 HE ARG 22 HE ARG 22 3.100 19.763 -10.567 182 HH11 ARG 22 1HH1 ARG 22 5.814 22.026 -10.349 183 HH12 ARG 22 2HH1 ARG 22 4.868 23.377 -9.977 184 HH21 ARG 22 1HH2 ARG 22 1.771 21.650 -10.002 185 HH22 ARG 22 2HH2 ARG 22 2.510 23.160 -9.760 186 H GLN 23 H GLN 23 4.670 17.287 -5.220 187 HA GLN 23 HA GLN 23 2.148 18.563 -4.501 188 HB2 GLN 23 2HB GLN 23 3.641 16.479 -2.898 189 HB3 GLN 23 1HB GLN 23 2.286 17.414 -2.293 190 HG2 GLN 23 2HG GLN 23 0.885 16.377 -4.094 191 HG3 GLN 23 1HG GLN 23 2.273 15.348 -4.461 192 HE21 GLN 23 1HE2 GLN 23 1.133 13.511 -3.931 193 HE22 GLN 23 2HE2 GLN 23 0.782 13.104 -2.273 194 H GLY 24 H GLY 24 2.827 20.555 -4.238 195 HA2 GLY 24 2HA GLY 24 3.930 22.323 -3.245 196 HA3 GLY 24 1HA GLY 24 4.641 21.155 -2.139 197 H GLU 25 H GLU 25 6.694 20.760 -2.315 198 HA GLU 25 HA GLU 25 8.051 21.575 -4.787 199 HB2 GLU 25 2HB GLU 25 9.178 21.267 -2.026 200 HB3 GLU 25 1HB GLU 25 10.067 21.824 -3.436 201 HG2 GLU 25 2HG GLU 25 8.503 23.754 -3.552 202 HG3 GLU 25 1HG GLU 25 7.805 23.208 -2.028 203 H ASN 26 H ASN 26 6.817 18.942 -3.694 204 HA ASN 26 HA ASN 26 9.227 17.257 -4.069 205 HB2 ASN 26 2HB ASN 26 6.704 16.193 -2.852 206 HB3 ASN 26 1HB ASN 26 8.356 15.637 -2.647 207 HD21 ASN 26 1HD2 ASN 26 5.969 17.795 -1.757 208 HD22 ASN 26 2HD2 ASN 26 6.654 18.484 -0.355 209 H LEU 27 H LEU 27 8.629 15.135 -4.911 210 HA LEU 27 HA LEU 27 6.377 15.174 -6.765 211 HB2 LEU 27 2HB LEU 27 8.705 15.206 -7.776 212 HB3 LEU 27 1HB LEU 27 8.942 13.644 -7.018 213 HG LEU 27 HG LEU 27 6.768 12.978 -8.198 214 HD11 LEU 27 1HD1 LEU 27 6.362 14.056 -10.297 215 HD12 LEU 27 2HD1 LEU 27 7.584 15.278 -9.931 216 HD13 LEU 27 3HD1 LEU 27 6.127 15.154 -8.942 217 HD21 LEU 27 3HD2 LEU 27 8.861 12.015 -8.614 218 HD22 LEU 27 1HD2 LEU 27 9.342 13.347 -9.681 219 HD23 LEU 27 2HD2 LEU 27 8.000 12.263 -10.141 220 H ILE 28 H ILE 28 4.954 13.747 -5.961 221 HA ILE 28 HA ILE 28 6.074 11.443 -4.596 222 HB ILE 28 HB ILE 28 3.586 12.366 -3.313 223 HG12 ILE 28 2HG1 ILE 28 6.113 14.049 -3.048 224 HG13 ILE 28 1HG1 ILE 28 4.527 14.541 -3.607 225 HG21 ILE 28 1HG2 ILE 28 4.882 10.476 -2.499 226 HG22 ILE 28 2HG2 ILE 28 4.824 11.770 -1.290 227 HG23 ILE 28 3HG2 ILE 28 6.276 11.540 -2.254 228 HD11 ILE 28 3HD1 ILE 28 3.589 14.259 -1.455 229 HD12 ILE 28 1HD1 ILE 28 4.993 15.326 -1.368 230 HD13 ILE 28 2HD1 ILE 28 5.125 13.648 -0.813 231 H LEU 29 H LEU 29 4.654 9.657 -4.517 232 HA LEU 29 HA LEU 29 3.015 9.461 -6.836 233 HB2 LEU 29 2HB LEU 29 3.904 7.556 -4.703 234 HB3 LEU 29 1HB LEU 29 2.691 7.077 -5.861 235 HG LEU 29 HG LEU 29 4.335 7.457 -7.690 236 HD11 LEU 29 1HD1 LEU 29 5.796 9.100 -6.653 237 HD12 LEU 29 2HD1 LEU 29 6.708 7.693 -7.197 238 HD13 LEU 29 3HD1 LEU 29 6.342 7.895 -5.484 239 HD21 LEU 29 3HD2 LEU 29 5.694 5.491 -7.219 240 HD22 LEU 29 1HD2 LEU 29 4.003 5.256 -6.773 241 HD23 LEU 29 2HD2 LEU 29 5.210 5.571 -5.525 242 H GLY 30 H GLY 30 2.403 10.680 -3.933 243 HA2 GLY 30 2HA GLY 30 0.270 11.580 -3.413 244 HA3 GLY 30 1HA GLY 30 -0.426 10.330 -4.424 245 H PHE 31 H PHE 31 0.821 8.057 -3.112 246 HA PHE 31 HA PHE 31 -0.853 8.104 -0.723 247 HB2 PHE 31 2HB PHE 31 -0.994 5.744 -0.913 248 HB3 PHE 31 1HB PHE 31 -1.426 6.486 -2.440 249 HD1 PHE 31 2HD PHE 31 0.278 6.475 -4.299 250 HD2 PHE 31 1HD PHE 31 0.634 4.162 -0.793 251 HE1 PHE 31 2HE PHE 31 1.852 4.995 -5.469 252 HE2 PHE 31 1HE PHE 31 2.191 2.650 -1.918 253 HZ PHE 31 HZ PHE 31 2.838 3.068 -4.275 254 H SER 32 H SER 32 -0.106 6.265 0.901 255 HA SER 32 HA SER 32 2.714 6.496 1.531 256 HB2 SER 32 2HB SER 32 0.426 7.262 3.311 257 HB3 SER 32 1HB SER 32 2.119 7.115 3.786 258 HG SER 32 HG SER 32 2.030 8.621 1.622 259 H ILE 33 H ILE 33 3.089 5.009 3.634 260 HA ILE 33 HA ILE 33 1.483 2.567 3.232 261 HB ILE 33 HB ILE 33 3.397 1.202 3.128 262 HG12 ILE 33 2HG1 ILE 33 5.066 3.663 3.766 263 HG13 ILE 33 1HG1 ILE 33 4.774 2.274 4.812 264 HG21 ILE 33 1HG2 ILE 33 2.868 2.250 1.021 265 HG22 ILE 33 2HG2 ILE 33 4.629 2.119 1.192 266 HG23 ILE 33 3HG2 ILE 33 3.840 3.656 1.451 267 HD11 ILE 33 3HD1 ILE 33 6.446 2.350 2.326 268 HD12 ILE 33 1HD1 ILE 33 5.896 0.874 3.130 269 HD13 ILE 33 2HD1 ILE 33 6.915 2.013 3.997 270 H GLY 34 H GLY 34 1.955 0.928 4.928 271 HA2 GLY 34 2HA GLY 34 2.207 2.313 7.497 272 HA3 GLY 34 1HA GLY 34 1.254 0.847 7.250 273 H GLY 35 H GLY 35 3.323 -0.307 5.554 274 HA2 GLY 35 2HA GLY 35 5.788 -0.746 6.135 275 HA3 GLY 35 1HA GLY 35 5.178 -0.968 7.715 276 H GLY 36 H GLY 36 6.633 -2.782 6.266 277 HA2 GLY 36 2HA GLY 36 4.692 -4.903 5.749 278 HA3 GLY 36 1HA GLY 36 6.354 -4.885 5.181 279 H ILE 37 H ILE 37 7.632 -6.226 6.165 280 HA ILE 37 HA ILE 37 6.774 -7.718 8.418 281 HB ILE 37 HB ILE 37 8.805 -8.964 8.307 282 HG12 ILE 37 2HG1 ILE 37 10.370 -6.984 8.144 283 HG13 ILE 37 1HG1 ILE 37 10.815 -8.320 7.065 284 HG21 ILE 37 1HG2 ILE 37 8.897 -9.609 5.945 285 HG22 ILE 37 2HG2 ILE 37 7.965 -8.166 5.543 286 HG23 ILE 37 3HG2 ILE 37 7.247 -9.422 6.549 287 HD11 ILE 37 3HD1 ILE 37 9.732 -6.984 5.249 288 HD12 ILE 37 1HD1 ILE 37 11.115 -6.180 6.004 289 HD13 ILE 37 2HD1 ILE 37 9.492 -5.707 6.441 290 H ASP 38 H ASP 38 8.582 -4.893 8.081 291 HA ASP 38 HA ASP 38 10.094 -4.807 10.472 292 HB2 ASP 38 2HB ASP 38 10.702 -3.414 8.620 293 HB3 ASP 38 1HB ASP 38 9.104 -2.710 8.524 294 H GLN 39 H GLN 39 6.782 -4.615 9.942 295 HA GLN 39 HA GLN 39 6.255 -2.933 12.305 296 HB2 GLN 39 2HB GLN 39 4.104 -3.878 10.405 297 HB3 GLN 39 1HB GLN 39 4.172 -2.385 11.319 298 HG2 GLN 39 2HG GLN 39 5.738 -3.050 8.929 299 HG3 GLN 39 1HG GLN 39 4.419 -1.896 9.085 300 HE21 GLN 39 1HE2 GLN 39 7.282 -1.868 8.424 301 HE22 GLN 39 2HE2 GLN 39 8.021 -0.638 9.361 302 H ASP 40 H ASP 40 4.337 -3.690 13.608 303 HA ASP 40 HA ASP 40 4.156 -6.666 13.825 304 HB2 ASP 40 2HB ASP 40 4.868 -5.096 15.983 305 HB3 ASP 40 1HB ASP 40 3.218 -4.749 15.845 306 HA PRO 41 HA PRO 41 0.213 -5.912 12.147 307 HB2 PRO 41 2HB PRO 41 -0.983 -8.238 13.060 308 HB3 PRO 41 1HB PRO 41 -0.103 -7.990 11.541 309 HG2 PRO 41 2HG PRO 41 0.814 -9.231 14.089 310 HG3 PRO 41 1HG PRO 41 1.243 -9.643 12.424 311 HD2 PRO 41 2HD PRO 41 2.882 -8.246 14.066 312 HD3 PRO 41 1HD PRO 41 2.853 -8.033 12.302 313 H SER 42 H SER 42 0.644 -6.750 15.522 314 HA SER 42 HA SER 42 -2.063 -6.329 16.311 315 HB2 SER 42 2HB SER 42 -0.458 -7.642 17.662 316 HB3 SER 42 1HB SER 42 0.446 -6.167 18.008 317 HG SER 42 HG SER 42 -1.038 -5.532 19.357 318 H GLN 43 H GLN 43 0.643 -4.204 15.866 319 HA GLN 43 HA GLN 43 -0.871 -1.993 17.077 320 HB2 GLN 43 2HB GLN 43 1.339 -0.823 17.203 321 HB3 GLN 43 1HB GLN 43 1.308 -2.310 18.125 322 HG2 GLN 43 2HG GLN 43 2.265 -2.977 15.630 323 HG3 GLN 43 1HG GLN 43 2.928 -1.379 15.947 324 HE21 GLN 43 1HE2 GLN 43 2.135 -3.857 18.281 325 HE22 GLN 43 2HE2 GLN 43 3.723 -4.115 18.871 326 H ASN 44 H ASN 44 -0.838 -3.270 14.298 327 HA ASN 44 HA ASN 44 -0.462 -0.757 12.875 328 HB2 ASN 44 2HB ASN 44 0.157 -3.506 12.112 329 HB3 ASN 44 1HB ASN 44 -0.421 -2.475 10.832 330 HD21 ASN 44 1HD2 ASN 44 2.068 -2.939 13.191 331 HD22 ASN 44 2HD2 ASN 44 3.196 -1.764 12.605 332 HA PRO 45 HA PRO 45 -4.580 -0.203 12.108 333 HB2 PRO 45 2HB PRO 45 -4.583 0.966 9.655 334 HB3 PRO 45 1HB PRO 45 -3.989 1.758 11.126 335 HG2 PRO 45 2HG PRO 45 -2.410 0.330 9.011 336 HG3 PRO 45 1HG PRO 45 -2.110 1.932 9.729 337 HD2 PRO 45 2HD PRO 45 -0.805 -0.249 10.528 338 HD3 PRO 45 1HD PRO 45 -1.315 1.013 11.677 339 H PHE 46 H PHE 46 -3.142 -1.383 9.082 340 HA PHE 46 HA PHE 46 -5.626 -2.864 8.675 341 HB2 PHE 46 2HB PHE 46 -3.457 -2.289 6.637 342 HB3 PHE 46 1HB PHE 46 -5.053 -2.964 6.308 343 HD1 PHE 46 1HD PHE 46 -7.072 -1.560 6.564 344 HD2 PHE 46 2HD PHE 46 -3.150 0.028 6.989 345 HE1 PHE 46 1HE PHE 46 -7.971 0.734 6.380 346 HE2 PHE 46 2HE PHE 46 -4.054 2.302 6.816 347 HZ PHE 46 HZ PHE 46 -6.424 2.659 6.516 348 H SER 47 H SER 47 -2.840 -3.373 10.026 349 HA SER 47 HA SER 47 -2.572 -6.051 8.949 350 HB2 SER 47 2HB SER 47 -0.574 -4.413 9.180 351 HB3 SER 47 1HB SER 47 -0.702 -4.759 10.875 352 HG SER 47 HG SER 47 -0.780 -7.080 9.558 353 H GLU 48 H GLU 48 -3.922 -4.362 11.495 354 HA GLU 48 HA GLU 48 -3.524 -6.276 13.496 355 HB2 GLU 48 2HB GLU 48 -5.423 -5.200 14.725 356 HB3 GLU 48 1HB GLU 48 -4.205 -4.059 14.181 357 HG2 GLU 48 2HG GLU 48 -5.620 -3.350 12.358 358 HG3 GLU 48 1HG GLU 48 -6.809 -4.585 12.763 359 H ASP 49 H ASP 49 -5.655 -5.816 10.946 360 HA ASP 49 HA ASP 49 -7.676 -7.739 11.677 361 HB2 ASP 49 2HB ASP 49 -8.182 -5.683 10.390 362 HB3 ASP 49 1HB ASP 49 -7.190 -6.289 9.075 363 H LYS 50 H LYS 50 -4.894 -7.494 9.562 364 HA LYS 50 HA LYS 50 -5.143 -10.358 8.903 365 HB2 LYS 50 2HB LYS 50 -3.928 -8.389 7.011 366 HB3 LYS 50 1HB LYS 50 -4.631 -9.958 6.658 367 HG2 LYS 50 2HG LYS 50 -6.861 -9.098 7.040 368 HG3 LYS 50 1HG LYS 50 -6.205 -7.524 7.474 369 HD2 LYS 50 2HD LYS 50 -5.160 -7.543 5.143 370 HD3 LYS 50 1HD LYS 50 -6.281 -8.868 4.804 371 HE2 LYS 50 2HE LYS 50 -6.996 -6.086 5.716 372 HE3 LYS 50 1HE LYS 50 -7.251 -6.760 4.114 373 HZ1 LYS 50 3HZ LYS 50 -8.836 -8.352 5.108 374 HZ2 LYS 50 1HZ LYS 50 -9.259 -6.744 5.371 375 HZ3 LYS 50 2HZ LYS 50 -8.604 -7.643 6.633 376 H THR 51 H THR 51 -3.407 -11.352 9.651 377 HA THR 51 HA THR 51 -1.252 -9.757 10.693 378 HB THR 51 HB THR 51 -0.520 -12.025 11.657 379 HG1 THR 51 1HG THR 51 -1.809 -13.299 10.193 380 HG21 THR 51 3HG2 THR 51 -1.683 -10.272 12.929 381 HG22 THR 51 1HG2 THR 51 -2.233 -11.879 13.407 382 HG23 THR 51 2HG2 THR 51 -3.227 -10.881 12.340 383 H ASP 52 H ASP 52 -1.727 -10.734 7.814 384 HA ASP 52 HA ASP 52 0.808 -11.943 7.144 385 HB2 ASP 52 2HB ASP 52 -1.172 -12.520 5.861 386 HB3 ASP 52 1HB ASP 52 -1.444 -10.832 5.465 387 H LYS 53 H LYS 53 2.484 -10.618 7.424 388 HA LYS 53 HA LYS 53 2.216 -7.824 7.101 389 HB2 LYS 53 2HB LYS 53 4.644 -9.509 7.661 390 HB3 LYS 53 1HB LYS 53 4.675 -7.751 7.558 391 HG2 LYS 53 2HG LYS 53 2.945 -7.689 9.354 392 HG3 LYS 53 1HG LYS 53 3.137 -9.427 9.523 393 HD2 LYS 53 2HD LYS 53 5.350 -7.420 9.839 394 HD3 LYS 53 1HD LYS 53 4.409 -8.059 11.167 395 HE2 LYS 53 2HE LYS 53 5.221 -10.361 10.508 396 HE3 LYS 53 1HE LYS 53 6.260 -9.559 9.322 397 HZ1 LYS 53 3HZ LYS 53 7.458 -10.046 11.377 398 HZ2 LYS 53 1HZ LYS 53 6.362 -9.121 12.256 399 HZ3 LYS 53 2HZ LYS 53 7.373 -8.392 11.122 400 H GLY 54 H GLY 54 3.641 -6.568 5.859 401 HA2 GLY 54 2HA GLY 54 4.998 -6.852 3.598 402 HA3 GLY 54 1HA GLY 54 3.371 -7.378 3.094 403 H ILE 55 H ILE 55 4.759 -4.960 2.253 404 HA ILE 55 HA ILE 55 3.817 -2.759 3.711 405 HB ILE 55 HB ILE 55 4.728 -2.857 0.800 406 HG12 ILE 55 2HG1 ILE 55 6.370 -3.644 2.536 407 HG13 ILE 55 1HG1 ILE 55 6.906 -2.235 1.641 408 HG21 ILE 55 1HG2 ILE 55 4.400 -0.525 2.670 409 HG22 ILE 55 2HG2 ILE 55 3.417 -0.847 1.261 410 HG23 ILE 55 3HG2 ILE 55 5.131 -0.432 1.067 411 HD11 ILE 55 3HD1 ILE 55 5.666 -2.166 4.342 412 HD12 ILE 55 1HD1 ILE 55 6.339 -0.824 3.443 413 HD13 ILE 55 2HD1 ILE 55 7.406 -2.111 4.007 414 H TYR 56 H TYR 56 1.949 -1.805 3.791 415 HA TYR 56 HA TYR 56 0.091 -2.115 1.602 416 HB2 TYR 56 2HB TYR 56 -1.695 -1.911 3.537 417 HB3 TYR 56 1HB TYR 56 -1.007 -3.480 3.144 418 HD1 TYR 56 2HD TYR 56 -0.806 -0.656 5.564 419 HD2 TYR 56 1HD TYR 56 0.280 -4.631 4.634 420 HE1 TYR 56 2HE TYR 56 0.060 -0.954 7.855 421 HE2 TYR 56 1HE TYR 56 1.168 -4.970 6.799 422 HH TYR 56 HH TYR 56 1.994 -3.605 8.702 423 H VAL 57 H VAL 57 -1.378 -0.422 1.462 424 HA VAL 57 HA VAL 57 -0.100 2.100 1.985 425 HB VAL 57 HB VAL 57 -2.580 1.373 0.418 426 HG11 VAL 57 1HG1 VAL 57 -2.742 3.664 1.217 427 HG12 VAL 57 2HG1 VAL 57 -2.443 3.613 -0.519 428 HG13 VAL 57 3HG1 VAL 57 -1.137 4.011 0.586 429 HG21 VAL 57 3HG2 VAL 57 0.283 1.794 -0.258 430 HG22 VAL 57 1HG2 VAL 57 -0.984 2.119 -1.444 431 HG23 VAL 57 2HG2 VAL 57 -0.847 0.518 -0.747 432 H THR 58 H THR 58 -0.667 3.524 3.496 433 HA THR 58 HA THR 58 -3.045 2.932 5.072 434 HB THR 58 HB THR 58 -1.871 4.463 6.733 435 HG1 THR 58 1HG THR 58 0.145 5.014 6.313 436 HG21 THR 58 3HG2 THR 58 -1.997 2.021 6.980 437 HG22 THR 58 1HG2 THR 58 -0.431 2.628 7.527 438 HG23 THR 58 2HG2 THR 58 -0.569 1.836 5.957 439 H ARG 59 H ARG 59 -1.613 5.236 2.945 440 HA ARG 59 HA ARG 59 -4.012 6.889 3.271 441 HB2 ARG 59 2HB ARG 59 -1.671 7.794 4.288 442 HB3 ARG 59 1HB ARG 59 -1.516 8.202 2.604 443 HG2 ARG 59 2HG ARG 59 -3.677 9.343 2.582 444 HG3 ARG 59 1HG ARG 59 -3.778 9.141 4.327 445 HD2 ARG 59 2HD ARG 59 -1.682 10.428 4.552 446 HD3 ARG 59 1HD ARG 59 -1.684 10.691 2.808 447 HE ARG 59 HE ARG 59 -3.382 11.910 4.788 448 HH11 ARG 59 1HH1 ARG 59 -2.793 11.460 1.302 449 HH12 ARG 59 2HH1 ARG 59 -3.910 12.675 0.828 450 HH21 ARG 59 1HH2 ARG 59 -4.896 13.567 4.074 451 HH22 ARG 59 2HH2 ARG 59 -5.116 13.874 2.408 452 H VAL 60 H VAL 60 -4.674 7.670 1.347 453 HA VAL 60 HA VAL 60 -2.909 7.388 -0.932 454 HB VAL 60 HB VAL 60 -5.875 6.536 -0.884 455 HG11 VAL 60 1HG1 VAL 60 -4.186 6.914 -3.274 456 HG12 VAL 60 2HG1 VAL 60 -5.511 7.964 -2.782 457 HG13 VAL 60 3HG1 VAL 60 -5.831 6.279 -3.216 458 HG21 VAL 60 3HG2 VAL 60 -4.321 4.836 -0.244 459 HG22 VAL 60 1HG2 VAL 60 -3.369 5.152 -1.699 460 HG23 VAL 60 2HG2 VAL 60 -5.011 4.506 -1.838 461 H SER 61 H SER 61 -3.072 9.056 -2.362 462 HA SER 61 HA SER 61 -3.777 11.569 -1.384 463 HB2 SER 61 2HB SER 61 -2.187 11.009 -3.300 464 HB3 SER 61 1HB SER 61 -3.652 10.790 -4.270 465 HG SER 61 HG SER 61 -3.042 13.186 -2.862 466 H GLU 62 H GLU 62 -5.593 12.471 -1.188 467 HA GLU 62 HA GLU 62 -8.097 11.360 -1.757 468 HB2 GLU 62 2HB GLU 62 -8.885 13.734 -1.247 469 HB3 GLU 62 1HB GLU 62 -7.975 12.909 0.012 470 HG2 GLU 62 2HG GLU 62 -6.462 14.539 -1.903 471 HG3 GLU 62 1HG GLU 62 -7.419 15.446 -0.744 472 H GLY 63 H GLY 63 -5.974 13.333 -3.545 473 HA2 GLY 63 2HA GLY 63 -7.729 13.242 -5.864 474 HA3 GLY 63 1HA GLY 63 -7.238 14.835 -5.288 475 H GLY 64 H GLY 64 -5.546 11.755 -5.606 476 HA2 GLY 64 2HA GLY 64 -3.694 13.109 -7.423 477 HA3 GLY 64 1HA GLY 64 -3.106 12.162 -6.066 478 HA PRO 65 HA PRO 65 -3.241 9.699 -10.074 479 HB2 PRO 65 2HB PRO 65 -0.808 8.543 -9.669 480 HB3 PRO 65 1HB PRO 65 -0.993 10.101 -10.465 481 HG2 PRO 65 2HG PRO 65 -0.275 9.524 -7.608 482 HG3 PRO 65 1HG PRO 65 0.406 10.728 -8.695 483 HD2 PRO 65 2HD PRO 65 -1.410 11.324 -6.832 484 HD3 PRO 65 1HD PRO 65 -1.370 12.183 -8.393 485 H ALA 66 H ALA 66 -2.406 8.917 -6.862 486 HA ALA 66 HA ALA 66 -2.480 6.128 -6.957 487 HB1 ALA 66 1HB ALA 66 -1.526 7.398 -5.116 488 HB2 ALA 66 2HB ALA 66 -2.706 6.224 -4.541 489 HB3 ALA 66 3HB ALA 66 -3.133 7.947 -4.654 490 H GLU 67 H GLU 67 -5.116 8.323 -5.790 491 HA GLU 67 HA GLU 67 -6.973 6.210 -5.805 492 HB2 GLU 67 2HB GLU 67 -8.638 7.871 -5.250 493 HB3 GLU 67 1HB GLU 67 -7.172 8.179 -4.340 494 HG2 GLU 67 2HG GLU 67 -7.605 10.319 -4.958 495 HG3 GLU 67 1HG GLU 67 -6.734 9.796 -6.393 496 H ILE 68 H ILE 68 -6.056 8.566 -8.217 497 HA ILE 68 HA ILE 68 -8.122 8.213 -10.051 498 HB ILE 68 HB ILE 68 -5.221 8.938 -10.354 499 HG12 ILE 68 2HG1 ILE 68 -6.727 10.611 -9.402 500 HG13 ILE 68 1HG1 ILE 68 -6.058 11.139 -10.940 501 HG21 ILE 68 1HG2 ILE 68 -5.737 7.774 -12.425 502 HG22 ILE 68 2HG2 ILE 68 -5.567 9.505 -12.727 503 HG23 ILE 68 3HG2 ILE 68 -7.173 8.775 -12.660 504 HD11 ILE 68 3HD1 ILE 68 -8.383 11.753 -10.820 505 HD12 ILE 68 1HD1 ILE 68 -8.844 10.088 -10.464 506 HD13 ILE 68 2HD1 ILE 68 -8.174 10.496 -12.038 507 H ALA 69 H ALA 69 -5.086 6.475 -9.717 508 HA ALA 69 HA ALA 69 -5.586 4.737 -11.913 509 HB1 ALA 69 1HB ALA 69 -3.337 5.250 -11.179 510 HB2 ALA 69 2HB ALA 69 -3.661 3.515 -11.130 511 HB3 ALA 69 3HB ALA 69 -3.659 4.457 -9.633 512 H GLY 70 H GLY 70 -5.687 4.281 -8.425 513 HA2 GLY 70 2HA GLY 70 -8.010 3.125 -8.014 514 HA3 GLY 70 1HA GLY 70 -7.215 1.821 -8.884 515 H LEU 71 H LEU 71 -5.319 3.796 -6.778 516 HA LEU 71 HA LEU 71 -4.921 1.523 -5.058 517 HB2 LEU 71 2HB LEU 71 -3.001 2.821 -5.845 518 HB3 LEU 71 1HB LEU 71 -3.677 4.270 -5.157 519 HG LEU 71 HG LEU 71 -2.839 3.784 -3.051 520 HD11 LEU 71 1HD1 LEU 71 -2.471 1.400 -2.293 521 HD12 LEU 71 2HD1 LEU 71 -2.756 0.825 -3.929 522 HD13 LEU 71 3HD1 LEU 71 -4.083 1.492 -2.986 523 HD21 LEU 71 3HD2 LEU 71 -1.085 3.890 -4.700 524 HD22 LEU 71 1HD2 LEU 71 -1.158 2.146 -4.923 525 HD23 LEU 71 2HD2 LEU 71 -0.659 2.818 -3.372 526 H GLN 72 H GLN 72 -5.986 1.199 -3.202 527 HA GLN 72 HA GLN 72 -7.343 3.508 -2.062 528 HB2 GLN 72 2HB GLN 72 -8.175 0.589 -1.943 529 HB3 GLN 72 1HB GLN 72 -8.995 1.946 -1.176 530 HG2 GLN 72 2HG GLN 72 -8.685 1.567 -4.140 531 HG3 GLN 72 1HG GLN 72 -10.127 1.184 -3.199 532 HE21 GLN 72 1HE2 GLN 72 -8.045 3.721 -4.250 533 HE22 GLN 72 2HE2 GLN 72 -9.173 5.001 -4.202 534 H ILE 73 H ILE 73 -7.406 3.523 0.108 535 HA ILE 73 HA ILE 73 -5.055 2.767 1.470 536 HB ILE 73 HB ILE 73 -7.717 3.681 2.587 537 HG12 ILE 73 2HG1 ILE 73 -5.174 5.178 1.924 538 HG13 ILE 73 1HG1 ILE 73 -6.715 5.313 1.089 539 HG21 ILE 73 1HG2 ILE 73 -5.035 3.562 3.932 540 HG22 ILE 73 2HG2 ILE 73 -6.400 2.495 4.238 541 HG23 ILE 73 3HG2 ILE 73 -6.526 4.219 4.618 542 HD11 ILE 73 3HD1 ILE 73 -7.703 6.270 3.117 543 HD12 ILE 73 1HD1 ILE 73 -6.320 7.204 2.532 544 HD13 ILE 73 2HD1 ILE 73 -6.139 6.122 3.921 545 H GLY 74 H GLY 74 -4.511 0.841 2.383 546 HA2 GLY 74 2HA GLY 74 -5.130 -0.931 3.896 547 HA3 GLY 74 1HA GLY 74 -6.692 -0.986 3.085 548 H ASP 75 H ASP 75 -5.014 -0.520 0.491 549 HA ASP 75 HA ASP 75 -4.890 -3.255 -0.301 550 HB2 ASP 75 2HB ASP 75 -3.886 -0.741 -1.636 551 HB3 ASP 75 1HB ASP 75 -3.707 -2.321 -2.359 552 H LYS 76 H LYS 76 -3.366 -4.634 -0.249 553 HA LYS 76 HA LYS 76 -0.782 -3.929 0.919 554 HB2 LYS 76 2HB LYS 76 -2.167 -6.559 0.378 555 HB3 LYS 76 1HB LYS 76 -0.489 -6.463 0.894 556 HG2 LYS 76 2HG LYS 76 -1.073 -5.600 3.002 557 HG3 LYS 76 1HG LYS 76 -2.715 -5.213 2.480 558 HD2 LYS 76 2HD LYS 76 -2.602 -7.196 3.954 559 HD3 LYS 76 1HD LYS 76 -3.271 -7.556 2.367 560 HE2 LYS 76 2HE LYS 76 -1.780 -9.328 3.031 561 HE3 LYS 76 1HE LYS 76 -1.068 -8.454 1.688 562 HZ1 LYS 76 3HZ LYS 76 0.424 -9.079 3.489 563 HZ2 LYS 76 1HZ LYS 76 -0.330 -8.051 4.547 564 HZ3 LYS 76 2HZ LYS 76 0.501 -7.407 3.203 565 H ILE 77 H ILE 77 1.026 -3.822 -0.302 566 HA ILE 77 HA ILE 77 0.580 -4.253 -3.149 567 HB ILE 77 HB ILE 77 3.014 -2.956 -1.945 568 HG12 ILE 77 2HG1 ILE 77 1.902 -0.743 -2.805 569 HG13 ILE 77 1HG1 ILE 77 0.392 -1.621 -2.632 570 HG21 ILE 77 1HG2 ILE 77 3.161 -1.939 -4.200 571 HG22 ILE 77 2HG2 ILE 77 1.732 -2.864 -4.669 572 HG23 ILE 77 3HG2 ILE 77 3.219 -3.703 -4.216 573 HD11 ILE 77 3HD1 ILE 77 0.771 -1.914 -0.307 574 HD12 ILE 77 1HD1 ILE 77 0.942 -0.208 -0.713 575 HD13 ILE 77 2HD1 ILE 77 2.379 -1.192 -0.439 576 H MET 78 H MET 78 1.507 -5.869 -4.186 577 HA MET 78 HA MET 78 3.413 -7.561 -2.703 578 HB2 MET 78 2HB MET 78 1.742 -8.218 -5.133 579 HB3 MET 78 1HB MET 78 2.837 -9.317 -4.333 580 HG2 MET 78 2HG MET 78 0.342 -8.162 -3.083 581 HG3 MET 78 1HG MET 78 0.428 -9.722 -3.877 582 HE1 MET 78 3HE MET 78 2.377 -7.653 -1.023 583 HE2 MET 78 1HE MET 78 1.931 -8.660 0.354 584 HE3 MET 78 2HE MET 78 0.686 -7.826 -0.568 585 H GLN 79 H GLN 79 3.183 -5.418 -5.331 586 HA GLN 79 HA GLN 79 5.854 -6.030 -6.287 587 HB2 GLN 79 2HB GLN 79 4.631 -7.656 -7.447 588 HB3 GLN 79 1HB GLN 79 3.324 -6.585 -7.815 589 HG2 GLN 79 2HG GLN 79 4.771 -7.296 -9.712 590 HG3 GLN 79 1HG GLN 79 4.620 -5.537 -9.546 591 HE21 GLN 79 1HE2 GLN 79 6.386 -4.433 -9.318 592 HE22 GLN 79 2HE2 GLN 79 7.974 -5.128 -9.168 593 H VAL 80 H VAL 80 6.843 -4.152 -6.895 594 HA VAL 80 HA VAL 80 5.243 -1.764 -7.620 595 HB VAL 80 HB VAL 80 7.364 -1.913 -5.447 596 HG11 VAL 80 1HG1 VAL 80 7.279 0.543 -5.264 597 HG12 VAL 80 2HG1 VAL 80 6.315 0.621 -6.740 598 HG13 VAL 80 3HG1 VAL 80 7.958 -0.000 -6.791 599 HG21 VAL 80 3HG2 VAL 80 4.553 -0.840 -5.422 600 HG22 VAL 80 1HG2 VAL 80 5.700 -0.774 -4.083 601 HG23 VAL 80 2HG2 VAL 80 5.136 -2.329 -4.694 602 H ASN 81 H ASN 81 5.952 -1.319 -9.562 603 HA ASN 81 HA ASN 81 7.249 -0.647 -11.237 604 HB2 ASN 81 2HB ASN 81 7.814 0.938 -9.284 605 HB3 ASN 81 1HB ASN 81 9.349 0.082 -9.219 606 HD21 ASN 81 1HD2 ASN 81 7.478 0.883 -12.124 607 HD22 ASN 81 2HD2 ASN 81 8.625 1.953 -12.750 608 H GLY 82 H GLY 82 7.459 -3.312 -10.804 609 HA2 GLY 82 2HA GLY 82 8.559 -5.047 -11.627 610 HA3 GLY 82 1HA GLY 82 9.918 -3.991 -12.091 611 H TRP 83 H TRP 83 9.291 -3.650 -8.846 612 HA TRP 83 HA TRP 83 11.234 -5.739 -8.102 613 HB2 TRP 83 2HB TRP 83 12.437 -4.063 -7.064 614 HB3 TRP 83 1HB TRP 83 11.270 -2.944 -7.747 615 HD1 TRP 83 HD TRP 83 8.906 -2.944 -5.925 616 HE1 TRP 83 1HE TRP 83 9.058 -2.282 -3.445 617 HE3 TRP 83 3HE TRP 83 13.887 -3.733 -5.177 618 HZ2 TRP 83 2HZ TRP 83 10.993 -2.027 -1.506 619 HZ3 TRP 83 3HZ TRP 83 14.822 -3.233 -2.957 620 HH2 TRP 83 HH TRP 83 13.392 -2.404 -1.140 621 H ASP 84 H ASP 84 10.794 -6.894 -6.008 622 HA ASP 84 HA ASP 84 7.945 -7.257 -5.808 623 HB2 ASP 84 2HB ASP 84 8.316 -9.234 -4.567 624 HB3 ASP 84 1HB ASP 84 9.580 -9.227 -5.779 625 H MET 85 H MET 85 6.688 -6.799 -4.169 626 HA MET 85 HA MET 85 7.860 -4.997 -2.127 627 HB2 MET 85 2HB MET 85 6.268 -4.194 -3.986 628 HB3 MET 85 1HB MET 85 5.018 -4.984 -3.038 629 HG2 MET 85 2HG MET 85 5.041 -2.692 -2.484 630 HG3 MET 85 1HG MET 85 5.710 -3.586 -1.113 631 HE1 MET 85 3HE MET 85 7.608 -0.144 -1.347 632 HE2 MET 85 1HE MET 85 6.483 -1.131 -0.415 633 HE3 MET 85 2HE MET 85 5.978 -0.442 -1.958 634 H THR 86 H THR 86 6.415 -7.909 -2.651 635 HA THR 86 HA THR 86 4.536 -8.217 -0.640 636 HB THR 86 HB THR 86 4.675 -9.788 -2.464 637 HG1 THR 86 1HG THR 86 4.966 -11.816 -1.145 638 HG21 THR 86 3HG2 THR 86 7.347 -10.650 -1.347 639 HG22 THR 86 1HG2 THR 86 7.083 -9.771 -2.852 640 HG23 THR 86 2HG2 THR 86 6.498 -11.425 -2.686 641 H MET 87 H MET 87 8.036 -8.470 -0.463 642 HA MET 87 HA MET 87 7.793 -8.659 2.429 643 HB2 MET 87 2HB MET 87 8.186 -10.961 1.637 644 HB3 MET 87 1HB MET 87 9.603 -10.415 0.756 645 HG2 MET 87 2HG MET 87 10.717 -9.861 2.844 646 HG3 MET 87 1HG MET 87 9.283 -10.327 3.750 647 HE1 MET 87 3HE MET 87 10.731 -12.203 0.562 648 HE2 MET 87 1HE MET 87 11.852 -13.323 1.329 649 HE3 MET 87 2HE MET 87 12.160 -11.585 1.383 650 H VAL 88 H VAL 88 8.355 -6.531 2.593 651 HA VAL 88 HA VAL 88 11.151 -5.934 2.326 652 HB VAL 88 HB VAL 88 10.305 -5.315 0.093 653 HG11 VAL 88 1HG1 VAL 88 8.371 -3.572 1.562 654 HG12 VAL 88 2HG1 VAL 88 7.974 -4.981 0.576 655 HG13 VAL 88 3HG1 VAL 88 8.647 -3.529 -0.176 656 HG21 VAL 88 3HG2 VAL 88 10.886 -2.917 0.092 657 HG22 VAL 88 1HG2 VAL 88 12.044 -3.908 0.986 658 HG23 VAL 88 2HG2 VAL 88 10.848 -2.947 1.849 659 H THR 89 H THR 89 11.727 -4.096 3.599 660 HA THR 89 HA THR 89 10.038 -3.742 5.869 661 HB THR 89 HB THR 89 11.838 -2.032 6.478 662 HG1 THR 89 1HG THR 89 13.554 -3.284 4.752 663 HG21 THR 89 3HG2 THR 89 12.746 -4.877 6.025 664 HG22 THR 89 1HG2 THR 89 11.686 -4.341 7.332 665 HG23 THR 89 2HG2 THR 89 13.338 -3.735 7.242 666 H HIS 90 H HIS 90 9.386 -1.707 6.658 667 HA HIS 90 HA HIS 90 7.939 -0.071 4.934 668 HB2 HIS 90 2HB HIS 90 7.618 -0.220 7.361 669 HB3 HIS 90 1HB HIS 90 9.121 0.616 7.649 670 HD1 HIS 90 1HD HIS 90 5.570 1.195 7.514 671 HD2 HIS 90 2HD HIS 90 8.920 3.373 6.410 672 HE1 HIS 90 1HE HIS 90 4.759 3.463 7.113 673 H ASP 91 H ASP 91 11.162 0.241 6.253 674 HA ASP 91 HA ASP 91 11.840 2.783 5.374 675 HB2 ASP 91 2HB ASP 91 13.074 1.429 7.017 676 HB3 ASP 91 1HB ASP 91 13.613 0.395 5.722 677 H GLN 92 H GLN 92 12.515 -0.349 3.889 678 HA GLN 92 HA GLN 92 13.877 0.772 1.649 679 HB2 GLN 92 2HB GLN 92 13.149 -1.901 2.583 680 HB3 GLN 92 1HB GLN 92 13.117 -1.749 0.840 681 HG2 GLN 92 2HG GLN 92 15.269 -2.575 1.605 682 HG3 GLN 92 1HG GLN 92 15.429 -1.006 0.835 683 HE21 GLN 92 1HE2 GLN 92 14.337 -1.507 4.163 684 HE22 GLN 92 2HE2 GLN 92 15.721 -0.753 4.861 685 H ALA 93 H ALA 93 10.636 -0.100 2.337 686 HA ALA 93 HA ALA 93 9.581 -0.020 -0.277 687 HB1 ALA 93 1HB ALA 93 7.440 0.070 0.879 688 HB2 ALA 93 2HB ALA 93 8.278 0.409 2.384 689 HB3 ALA 93 3HB ALA 93 8.519 -1.135 1.575 690 H ARG 94 H ARG 94 9.760 2.301 2.371 691 HA ARG 94 HA ARG 94 8.301 4.371 1.216 692 HB2 ARG 94 2HB ARG 94 10.522 4.325 3.218 693 HB3 ARG 94 1HB ARG 94 9.853 5.885 2.729 694 HG2 ARG 94 2HG ARG 94 8.358 3.597 3.961 695 HG3 ARG 94 1HG ARG 94 9.008 4.980 4.839 696 HD2 ARG 94 2HD ARG 94 7.091 5.229 2.566 697 HD3 ARG 94 1HD ARG 94 6.549 5.080 4.248 698 HE ARG 94 HE ARG 94 8.325 7.259 3.331 699 HH11 ARG 94 1HH1 ARG 94 5.493 6.219 5.215 700 HH12 ARG 94 2HH1 ARG 94 5.016 7.800 5.612 701 HH21 ARG 94 1HH2 ARG 94 7.649 9.422 3.878 702 HH22 ARG 94 2HH2 ARG 94 6.256 9.647 4.824 703 H LYS 95 H LYS 95 11.623 3.533 1.038 704 HA LYS 95 HA LYS 95 12.278 5.731 -0.715 705 HB2 LYS 95 2HB LYS 95 13.815 3.780 0.900 706 HB3 LYS 95 1HB LYS 95 14.550 4.262 -0.618 707 HG2 LYS 95 2HG LYS 95 15.361 5.629 1.238 708 HG3 LYS 95 1HG LYS 95 14.499 6.598 0.058 709 HD2 LYS 95 2HD LYS 95 13.928 7.334 2.288 710 HD3 LYS 95 1HD LYS 95 12.517 6.581 1.557 711 HE2 LYS 95 2HE LYS 95 12.786 5.931 3.904 712 HE3 LYS 95 1HE LYS 95 12.927 4.545 2.831 713 HZ1 LYS 95 3HZ LYS 95 15.226 6.001 4.030 714 HZ2 LYS 95 1HZ LYS 95 15.304 4.616 3.077 715 HZ3 LYS 95 2HZ LYS 95 14.600 4.542 4.596 716 H ARG 96 H ARG 96 10.393 4.002 -1.578 717 HA ARG 96 HA ARG 96 11.550 3.355 -4.120 718 HB2 ARG 96 2HB ARG 96 11.694 1.179 -2.893 719 HB3 ARG 96 1HB ARG 96 9.965 1.257 -2.607 720 HG2 ARG 96 2HG ARG 96 10.359 -0.259 -4.415 721 HG3 ARG 96 1HG ARG 96 9.603 1.195 -5.066 722 HD2 ARG 96 2HD ARG 96 11.825 2.013 -5.762 723 HD3 ARG 96 1HD ARG 96 12.546 0.526 -5.144 724 HE ARG 96 HE ARG 96 10.472 0.357 -7.186 725 HH11 ARG 96 1HH1 ARG 96 13.864 -0.152 -6.266 726 HH12 ARG 96 2HH1 ARG 96 14.286 -0.927 -7.721 727 HH21 ARG 96 1HH2 ARG 96 11.101 -0.743 -9.251 728 HH22 ARG 96 2HH2 ARG 96 12.704 -1.228 -9.423 729 H LEU 97 H LEU 97 8.614 3.378 -2.140 730 HA LEU 97 HA LEU 97 7.246 4.169 -4.575 731 HB2 LEU 97 2HB LEU 97 5.174 3.943 -3.138 732 HB3 LEU 97 1HB LEU 97 6.038 2.507 -3.691 733 HG LEU 97 HG LEU 97 6.986 2.287 -1.423 734 HD11 LEU 97 1HD1 LEU 97 6.837 4.656 -0.720 735 HD12 LEU 97 2HD1 LEU 97 6.044 3.570 0.416 736 HD13 LEU 97 3HD1 LEU 97 5.079 4.525 -0.712 737 HD21 LEU 97 3HD2 LEU 97 5.104 1.388 -0.534 738 HD22 LEU 97 1HD2 LEU 97 4.897 1.278 -2.284 739 HD23 LEU 97 2HD2 LEU 97 4.060 2.560 -1.355 740 H THR 98 H THR 98 8.144 5.601 -1.589 741 HA THR 98 HA THR 98 6.781 7.931 -2.668 742 HB THR 98 HB THR 98 5.911 7.359 -0.425 743 HG1 THR 98 1HG THR 98 7.337 9.749 -0.744 744 HG21 THR 98 3HG2 THR 98 7.297 7.648 1.558 745 HG22 THR 98 1HG2 THR 98 8.698 7.916 0.518 746 HG23 THR 98 2HG2 THR 98 7.888 6.349 0.511 747 H LYS 99 H LYS 99 9.544 6.648 -3.102 748 HA LYS 99 HA LYS 99 11.208 8.879 -2.609 749 HB2 LYS 99 2HB LYS 99 12.791 7.853 -4.181 750 HB3 LYS 99 1HB LYS 99 12.115 6.644 -3.086 751 HG2 LYS 99 2HG LYS 99 10.870 5.636 -4.748 752 HG3 LYS 99 1HG LYS 99 10.970 7.040 -5.812 753 HD2 LYS 99 2HD LYS 99 12.420 5.111 -6.499 754 HD3 LYS 99 1HD LYS 99 13.273 6.630 -6.276 755 HE2 LYS 99 2HE LYS 99 13.963 5.922 -4.056 756 HE3 LYS 99 1HE LYS 99 13.152 4.383 -4.282 757 HZ1 LYS 99 3HZ LYS 99 15.439 5.410 -5.873 758 HZ2 LYS 99 1HZ LYS 99 14.654 3.941 -6.146 759 HZ3 LYS 99 2HZ LYS 99 15.492 4.187 -4.713 760 H ARG 100 H ARG 100 12.101 10.176 -4.482 761 HA ARG 100 HA ARG 100 9.780 11.049 -6.089 762 HB2 ARG 100 2HB ARG 100 10.740 13.345 -5.915 763 HB3 ARG 100 1HB ARG 100 10.242 12.671 -4.369 764 HG2 ARG 100 2HG ARG 100 12.530 12.123 -3.856 765 HG3 ARG 100 1HG ARG 100 13.050 12.741 -5.422 766 HD2 ARG 100 2HD ARG 100 11.755 14.290 -3.163 767 HD3 ARG 100 1HD ARG 100 13.448 14.384 -3.635 768 HE ARG 100 HE ARG 100 12.247 15.107 -5.887 769 HH11 ARG 100 1HH1 ARG 100 11.663 16.171 -2.549 770 HH12 ARG 100 2HH1 ARG 100 11.176 17.740 -2.970 771 HH21 ARG 100 1HH2 ARG 100 11.519 17.283 -6.481 772 HH22 ARG 100 2HH2 ARG 100 11.065 18.372 -5.254 773 H SER 101 H SER 101 12.332 9.386 -6.423 774 HA SER 101 HA SER 101 13.826 10.709 -8.468 775 HB2 SER 101 2HB SER 101 13.742 7.941 -7.449 776 HB3 SER 101 1HB SER 101 15.033 8.572 -8.487 777 HG SER 101 HG SER 101 15.235 10.209 -6.735 778 H GLU 102 H GLU 102 11.264 8.392 -8.301 779 HA GLU 102 HA GLU 102 11.260 8.121 -11.224 780 HB2 GLU 102 2HB GLU 102 11.544 5.977 -10.031 781 HB3 GLU 102 1HB GLU 102 10.109 6.298 -9.083 782 HG2 GLU 102 2HG GLU 102 9.690 4.643 -10.823 783 HG3 GLU 102 1HG GLU 102 8.723 6.092 -11.068 784 H GLU 103 H GLU 103 9.119 8.146 -12.221 785 HA GLU 103 HA GLU 103 7.297 9.901 -10.731 786 HB2 GLU 103 2HB GLU 103 6.495 10.565 -13.076 787 HB3 GLU 103 1HB GLU 103 8.037 11.258 -12.523 788 HG2 GLU 103 2HG GLU 103 8.955 9.187 -13.881 789 HG3 GLU 103 1HG GLU 103 7.367 9.214 -14.573 790 H VAL 104 H VAL 104 6.986 7.774 -13.541 791 HA VAL 104 HA VAL 104 4.552 6.863 -12.319 792 HB VAL 104 HB VAL 104 3.910 7.770 -14.372 793 HG11 VAL 104 1HG1 VAL 104 4.842 7.287 -16.454 794 HG12 VAL 104 2HG1 VAL 104 6.195 6.402 -15.686 795 HG13 VAL 104 3HG1 VAL 104 5.932 8.147 -15.367 796 HG21 VAL 104 3HG2 VAL 104 4.261 4.842 -14.956 797 HG22 VAL 104 1HG2 VAL 104 3.104 5.924 -15.727 798 HG23 VAL 104 2HG2 VAL 104 2.958 5.525 -14.001 799 H VAL 105 H VAL 105 4.210 5.004 -11.710 800 HA VAL 105 HA VAL 105 6.217 2.897 -12.158 801 HB VAL 105 HB VAL 105 5.726 2.226 -9.751 802 HG11 VAL 105 1HG1 VAL 105 7.799 3.416 -10.364 803 HG12 VAL 105 2HG1 VAL 105 7.216 3.919 -8.775 804 HG13 VAL 105 3HG1 VAL 105 6.959 4.956 -10.178 805 HG21 VAL 105 3HG2 VAL 105 4.766 3.890 -8.296 806 HG22 VAL 105 1HG2 VAL 105 3.648 3.504 -9.607 807 HG23 VAL 105 2HG2 VAL 105 4.577 5.001 -9.656 808 H ARG 106 H ARG 106 5.304 0.731 -11.404 809 HA ARG 106 HA ARG 106 2.442 0.511 -11.946 810 HB2 ARG 106 2HB ARG 106 4.625 -1.237 -13.147 811 HB3 ARG 106 1HB ARG 106 2.956 -1.734 -13.064 812 HG2 ARG 106 2HG ARG 106 3.305 -0.918 -15.277 813 HG3 ARG 106 1HG ARG 106 2.339 0.288 -14.428 814 HD2 ARG 106 2HD ARG 106 4.568 1.468 -13.972 815 HD3 ARG 106 1HD ARG 106 5.240 0.385 -15.189 816 HE ARG 106 HE ARG 106 2.916 1.661 -16.147 817 HH11 ARG 106 1HH1 ARG 106 6.346 2.290 -15.506 818 HH12 ARG 106 2HH1 ARG 106 6.454 3.574 -16.618 819 HH21 ARG 106 1HH2 ARG 106 3.087 3.447 -17.671 820 HH22 ARG 106 2HH2 ARG 106 4.591 4.224 -17.877 821 H LEU 107 H LEU 107 1.539 -0.353 -10.250 822 HA LEU 107 HA LEU 107 3.208 -1.976 -8.487 823 HB2 LEU 107 2HB LEU 107 0.813 -0.397 -7.661 824 HB3 LEU 107 1HB LEU 107 2.082 -1.039 -6.647 825 HG LEU 107 HG LEU 107 2.442 1.236 -6.562 826 HD11 LEU 107 1HD1 LEU 107 4.426 1.808 -7.663 827 HD12 LEU 107 2HD1 LEU 107 4.212 0.459 -8.778 828 HD13 LEU 107 3HD1 LEU 107 4.457 0.147 -7.064 829 HD21 LEU 107 3HD2 LEU 107 2.235 2.813 -8.331 830 HD22 LEU 107 1HD2 LEU 107 0.771 1.857 -8.232 831 HD23 LEU 107 2HD2 LEU 107 1.940 1.533 -9.517 832 H LEU 108 H LEU 108 2.114 -3.649 -7.501 833 HA LEU 108 HA LEU 108 -0.541 -4.306 -8.534 834 HB2 LEU 108 2HB LEU 108 1.902 -5.785 -8.594 835 HB3 LEU 108 1HB LEU 108 0.612 -6.738 -7.856 836 HG LEU 108 HG LEU 108 -0.687 -6.166 -9.919 837 HD11 LEU 108 1HD1 LEU 108 0.627 -5.606 -11.941 838 HD12 LEU 108 2HD1 LEU 108 2.069 -5.428 -10.944 839 HD13 LEU 108 3HD1 LEU 108 0.711 -4.320 -10.735 840 HD21 LEU 108 3HD2 LEU 108 0.469 -7.925 -11.267 841 HD22 LEU 108 1HD2 LEU 108 0.166 -8.372 -9.584 842 HD23 LEU 108 2HD2 LEU 108 1.779 -7.868 -10.091 843 H VAL 109 H VAL 109 -1.953 -4.588 -7.072 844 HA VAL 109 HA VAL 109 -1.012 -5.004 -4.321 845 HB VAL 109 HB VAL 109 -2.717 -3.578 -3.421 846 HG11 VAL 109 1HG1 VAL 109 -1.192 -2.055 -5.496 847 HG12 VAL 109 2HG1 VAL 109 -0.571 -2.616 -3.948 848 HG13 VAL 109 3HG1 VAL 109 -1.879 -1.419 -3.983 849 HG21 VAL 109 3HG2 VAL 109 -4.117 -2.118 -4.763 850 HG22 VAL 109 1HG2 VAL 109 -4.446 -3.809 -5.135 851 HG23 VAL 109 2HG2 VAL 109 -3.472 -2.840 -6.236 852 H THR 110 H THR 110 -2.423 -6.031 -2.962 853 HA THR 110 HA THR 110 -4.405 -7.534 -4.376 854 HB THR 110 HB THR 110 -4.427 -8.823 -2.161 855 HG1 THR 110 1HG THR 110 -2.562 -8.566 -0.920 856 HG21 THR 110 3HG2 THR 110 -1.991 -8.737 -3.912 857 HG22 THR 110 1HG2 THR 110 -3.456 -9.681 -4.152 858 HG23 THR 110 2HG2 THR 110 -2.373 -10.069 -2.801 859 H ARG 111 H ARG 111 -6.408 -7.172 -4.037 860 HA ARG 111 HA ARG 111 -7.273 -4.546 -3.246 861 HB2 ARG 111 2HB ARG 111 -8.232 -5.839 -5.130 862 HB3 ARG 111 1HB ARG 111 -8.924 -6.967 -3.987 863 HG2 ARG 111 2HG ARG 111 -10.754 -5.680 -4.432 864 HG3 ARG 111 1HG ARG 111 -10.096 -4.809 -3.053 865 HD2 ARG 111 2HD ARG 111 -9.663 -4.104 -5.953 866 HD3 ARG 111 1HD ARG 111 -10.823 -3.335 -4.889 867 HE ARG 111 HE ARG 111 -8.281 -3.028 -3.738 868 HH11 ARG 111 1HH1 ARG 111 -10.040 -2.017 -6.658 869 HH12 ARG 111 2HH1 ARG 111 -9.171 -0.567 -6.829 870 HH21 ARG 111 1HH2 ARG 111 -7.077 -1.024 -4.022 871 HH22 ARG 111 2HH2 ARG 111 -7.441 -0.047 -5.352 872 H GLN 112 H GLN 112 -6.988 -7.371 -1.607 873 HA GLN 112 HA GLN 112 -7.570 -8.261 0.295 874 HB2 GLN 112 2HB GLN 112 -8.028 -5.443 1.041 875 HB3 GLN 112 1HB GLN 112 -8.089 -6.763 2.234 876 HG2 GLN 112 2HG GLN 112 -5.912 -5.872 0.476 877 HG3 GLN 112 1HG GLN 112 -5.861 -5.810 2.279 878 HE21 GLN 112 1HE2 GLN 112 -5.255 -7.410 -0.569 879 HE22 GLN 112 2HE2 GLN 112 -4.689 -8.930 -0.015 880 H SER 113 H SER 113 -8.935 -9.154 -0.823 881 HA SER 113 HA SER 113 -11.742 -8.530 -0.383 882 HB2 SER 113 2HB SER 113 -10.669 -10.932 -1.874 883 HB3 SER 113 1HB SER 113 -12.225 -10.118 -2.099 884 HG SER 113 HG SER 113 -11.162 -8.340 -2.885 885 H LEU 114 H LEU 114 -9.423 -9.878 1.076 886 HA LEU 114 HA LEU 114 -10.827 -11.991 2.525 887 HB2 LEU 114 2HB LEU 114 -8.458 -12.396 1.973 888 HB3 LEU 114 1HB LEU 114 -7.999 -10.925 2.806 889 HG LEU 114 HG LEU 114 -8.703 -11.931 4.944 890 HD11 LEU 114 1HD1 LEU 114 -10.400 -13.461 4.139 891 HD12 LEU 114 2HD1 LEU 114 -9.175 -14.325 5.066 892 HD13 LEU 114 3HD1 LEU 114 -9.172 -14.408 3.303 893 HD21 LEU 114 3HD2 LEU 114 -6.386 -12.092 4.287 894 HD22 LEU 114 1HD2 LEU 114 -6.725 -13.547 3.347 895 HD23 LEU 114 2HD2 LEU 114 -6.882 -13.576 5.101 896 H GLN 115 H GLN 115 -12.325 -10.913 3.562 897 HA GLN 115 HA GLN 115 -11.516 -8.750 5.353 898 HB2 GLN 115 2HB GLN 115 -14.034 -9.057 3.712 899 HB3 GLN 115 1HB GLN 115 -13.777 -7.799 4.915 900 HG2 GLN 115 2HG GLN 115 -12.009 -6.828 3.650 901 HG3 GLN 115 1HG GLN 115 -11.963 -8.202 2.553 902 HE21 GLN 115 1HE2 GLN 115 -12.225 -6.873 0.797 903 HE22 GLN 115 2HE2 GLN 115 -13.730 -6.143 0.392 904 H LYS 116 H LYS 116 -13.861 -8.501 6.736 905 HA LYS 116 HA LYS 116 -13.681 -10.904 8.359 906 HB2 LYS 116 2HB LYS 116 -15.330 -8.476 8.997 907 HB3 LYS 116 1HB LYS 116 -14.576 -9.616 10.104 908 HG2 LYS 116 2HG LYS 116 -12.352 -8.739 9.332 909 HG3 LYS 116 1HG LYS 116 -13.225 -7.486 8.466 910 HD2 LYS 116 2HD LYS 116 -12.612 -6.504 10.497 911 HD3 LYS 116 1HD LYS 116 -14.305 -6.932 10.709 912 HE2 LYS 116 2HE LYS 116 -12.940 -7.502 12.662 913 HE3 LYS 116 1HE LYS 116 -13.680 -8.928 11.938 914 HZ1 LYS 116 3HZ LYS 116 -11.650 -9.551 10.977 915 HZ2 LYS 116 1HZ LYS 116 -11.272 -9.179 12.555 916 HZ3 LYS 116 2HZ LYS 116 -10.894 -8.107 11.260 917 H ALA 117 H ALA 117 -15.807 -11.649 9.327 918 HA ALA 117 HA ALA 117 -17.727 -11.925 7.160 919 HB1 ALA 117 1HB ALA 117 -18.703 -13.695 8.543 920 HB2 ALA 117 2HB ALA 117 -17.544 -13.345 9.825 921 HB3 ALA 117 3HB ALA 117 -16.983 -13.985 8.278 922 H VAL 118 H VAL 118 -19.919 -11.445 7.507 923 HA VAL 118 HA VAL 118 -20.393 -9.761 9.792 924 HB VAL 118 HB VAL 118 -20.114 -8.287 7.837 925 HG11 VAL 118 1HG1 VAL 118 -22.405 -9.744 6.566 926 HG12 VAL 118 2HG1 VAL 118 -20.722 -9.726 6.032 927 HG13 VAL 118 3HG1 VAL 118 -21.684 -8.250 5.966 928 HG21 VAL 118 3HG2 VAL 118 -22.231 -7.007 7.980 929 HG22 VAL 118 1HG2 VAL 118 -21.629 -7.519 9.560 930 HG23 VAL 118 2HG2 VAL 118 -22.970 -8.379 8.808 931 H GLN 119 H GLN 119 -20.876 -11.955 10.352 932 HA GLN 119 HA GLN 119 -23.379 -13.124 9.553 933 HB2 GLN 119 2HB GLN 119 -21.442 -14.452 10.399 934 HB3 GLN 119 1HB GLN 119 -21.631 -13.681 11.961 935 HG2 GLN 119 2HG GLN 119 -23.886 -14.663 12.131 936 HG3 GLN 119 1HG GLN 119 -23.590 -15.513 10.615 937 HE21 GLN 119 1HE2 GLN 119 -22.813 -15.303 13.962 938 HE22 GLN 119 2HE2 GLN 119 -21.983 -16.809 14.075 939 H GLN 120 H GLN 120 -22.178 -10.988 11.955 940 HA GLN 120 HA GLN 120 -24.397 -10.970 13.717 941 HB2 GLN 120 2HB GLN 120 -23.394 -8.932 14.637 942 HB3 GLN 120 1HB GLN 120 -22.181 -10.179 14.376 943 HG2 GLN 120 2HG GLN 120 -21.422 -9.064 12.362 944 HG3 GLN 120 1HG GLN 120 -22.671 -7.838 12.546 945 HE21 GLN 120 1HE2 GLN 120 -20.851 -9.141 15.261 946 HE22 GLN 120 2HE2 GLN 120 -19.954 -7.694 15.556 947 H SER 121 H SER 121 -26.069 -9.427 13.884 948 HA SER 121 HA SER 121 -26.414 -7.627 11.640 949 HB2 SER 121 2HB SER 121 -28.537 -9.548 12.643 950 HB3 SER 121 1HB SER 121 -28.745 -8.365 11.352 951 HG SER 121 HG SER 121 -26.629 -9.667 10.706 952 H MET 122 H MET 122 -26.442 -5.738 12.601 953 HA MET 122 HA MET 122 -27.272 -5.507 15.362 954 HB2 MET 122 2HB MET 122 -26.043 -3.482 13.496 955 HB3 MET 122 1HB MET 122 -26.460 -3.154 15.166 956 HG2 MET 122 2HG MET 122 -24.908 -4.932 15.873 957 HG3 MET 122 1HG MET 122 -24.454 -5.172 14.193 958 HE1 MET 122 3HE MET 122 -22.608 -1.830 13.324 959 HE2 MET 122 1HE MET 122 -24.302 -2.215 13.029 960 HE3 MET 122 2HE MET 122 -23.064 -3.437 12.752 961 H LEU 123 H LEU 123 -29.362 -5.474 15.637 962 HA LEU 123 HA LEU 123 -30.914 -3.670 13.951 963 HB2 LEU 123 2HB LEU 123 -31.506 -6.168 14.162 964 HB3 LEU 123 1HB LEU 123 -31.995 -5.810 15.796 965 HG LEU 123 HG LEU 123 -33.269 -4.563 13.341 966 HD11 LEU 123 1HD1 LEU 123 -34.198 -6.889 15.003 967 HD12 LEU 123 2HD1 LEU 123 -33.577 -6.972 13.355 968 HD13 LEU 123 3HD1 LEU 123 -35.092 -6.134 13.685 969 HD21 LEU 123 3HD2 LEU 123 -34.226 -4.703 16.211 970 HD22 LEU 123 1HD2 LEU 123 -35.106 -3.991 14.860 971 HD23 LEU 123 2HD2 LEU 123 -33.600 -3.259 15.416 972 H SER 124 H SER 124 -30.322 -1.837 14.975 973 HA SER 124 HA SER 124 -31.984 -0.813 16.888 974 HB2 SER 124 2HB SER 124 -30.609 -2.184 18.536 975 HB3 SER 124 1HB SER 124 -29.180 -1.298 18.024 976 HG SER 124 HG SER 124 -29.724 -0.035 19.575 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 1.115 -13.070 -22.185 2 H2 GLY 1 2HT GLY 1 2.774 -13.200 -22.557 3 H3 GLY 1 3HT GLY 1 2.264 -12.846 -20.981 4 HA2 GLY 1 1HA GLY 1 1.689 -15.364 -22.353 5 HA3 GLY 1 2HA GLY 1 2.940 -15.122 -21.129 6 H SER 2 H SER 2 1.654 -16.835 -20.026 7 HA SER 2 HA SER 2 -0.926 -16.128 -19.052 8 HB2 SER 2 2HB SER 2 0.982 -18.273 -18.105 9 HB3 SER 2 1HB SER 2 -0.759 -18.203 -17.826 10 HG SER 2 HG SER 2 0.134 -19.554 -19.627 11 H TYR 3 H TYR 3 -1.156 -14.605 -17.586 12 HA TYR 3 HA TYR 3 0.843 -13.506 -16.016 13 HB2 TYR 3 2HB TYR 3 -1.127 -12.225 -16.481 14 HB3 TYR 3 1HB TYR 3 -2.166 -13.422 -15.721 15 HD1 TYR 3 1HD TYR 3 0.557 -10.975 -14.960 16 HD2 TYR 3 2HD TYR 3 -2.753 -13.211 -13.488 17 HE1 TYR 3 1HE TYR 3 0.688 -9.770 -12.814 18 HE2 TYR 3 2HE TYR 3 -2.625 -12.010 -11.365 19 HH TYR 3 HH TYR 3 -0.995 -9.240 -10.898 20 H ILE 4 H ILE 4 -1.768 -15.675 -14.946 21 HA ILE 4 HA ILE 4 -2.029 -17.021 -13.141 22 HB ILE 4 HB ILE 4 0.976 -17.449 -13.382 23 HG12 ILE 4 2HG1 ILE 4 -0.161 -17.929 -15.507 24 HG13 ILE 4 1HG1 ILE 4 0.423 -19.413 -14.774 25 HG21 ILE 4 1HG2 ILE 4 -1.126 -19.197 -12.099 26 HG22 ILE 4 2HG2 ILE 4 0.121 -18.278 -11.257 27 HG23 ILE 4 3HG2 ILE 4 0.573 -19.623 -12.306 28 HD11 ILE 4 3HD1 ILE 4 -1.855 -19.907 -13.994 29 HD12 ILE 4 1HD1 ILE 4 -1.770 -19.729 -15.745 30 HD13 ILE 4 2HD1 ILE 4 -2.428 -18.424 -14.760 31 HA PRO 5 HA PRO 5 -1.058 -13.703 -10.207 32 HB2 PRO 5 2HB PRO 5 -3.093 -14.228 -8.551 33 HB3 PRO 5 1HB PRO 5 -3.265 -13.193 -9.968 34 HG2 PRO 5 2HG PRO 5 -4.072 -16.035 -9.583 35 HG3 PRO 5 1HG PRO 5 -4.862 -14.774 -10.548 36 HD2 PRO 5 2HD PRO 5 -3.346 -16.761 -11.593 37 HD3 PRO 5 1HD PRO 5 -3.515 -15.167 -12.370 38 H GLY 6 H GLY 6 -0.227 -13.634 -8.259 39 HA2 GLY 6 2HA GLY 6 0.405 -16.142 -6.912 40 HA3 GLY 6 1HA GLY 6 1.131 -14.549 -6.643 41 H GLN 7 H GLN 7 -2.261 -15.212 -6.838 42 HA GLN 7 HA GLN 7 -2.665 -14.695 -3.999 43 HB2 GLN 7 2HB GLN 7 -2.704 -12.699 -5.733 44 HB3 GLN 7 1HB GLN 7 -4.242 -13.401 -6.174 45 HG2 GLN 7 2HG GLN 7 -4.421 -11.515 -4.589 46 HG3 GLN 7 1HG GLN 7 -5.136 -12.999 -3.986 47 HE21 GLN 7 1HE2 GLN 7 -1.635 -12.535 -4.005 48 HE22 GLN 7 2HE2 GLN 7 -1.481 -12.379 -2.304 49 HA PRO 8 HA PRO 8 -5.051 -18.179 -4.859 50 HB2 PRO 8 2HB PRO 8 -6.742 -18.350 -2.783 51 HB3 PRO 8 1HB PRO 8 -4.998 -18.537 -2.607 52 HG2 PRO 8 2HG PRO 8 -6.707 -16.171 -1.985 53 HG3 PRO 8 1HG PRO 8 -5.297 -16.795 -1.114 54 HD2 PRO 8 2HD PRO 8 -5.240 -14.655 -2.898 55 HD3 PRO 8 1HD PRO 8 -3.860 -15.615 -2.402 56 H VAL 9 H VAL 9 -7.870 -17.036 -3.343 57 HA VAL 9 HA VAL 9 -9.214 -16.754 -5.935 58 HB VAL 9 HB VAL 9 -9.880 -18.603 -3.701 59 HG11 VAL 9 1HG1 VAL 9 -11.847 -17.262 -4.105 60 HG12 VAL 9 2HG1 VAL 9 -12.140 -18.941 -4.604 61 HG13 VAL 9 3HG1 VAL 9 -11.842 -17.680 -5.819 62 HG21 VAL 9 3HG2 VAL 9 -8.585 -19.448 -5.574 63 HG22 VAL 9 1HG2 VAL 9 -9.850 -18.949 -6.691 64 HG23 VAL 9 2HG2 VAL 9 -10.170 -20.227 -5.514 65 H THR 10 H THR 10 -9.624 -16.497 -2.453 66 HA THR 10 HA THR 10 -11.823 -14.731 -2.675 67 HB THR 10 HB THR 10 -11.323 -16.391 -0.819 68 HG1 THR 10 1HG THR 10 -11.879 -13.780 0.170 69 HG21 THR 10 3HG2 THR 10 -10.019 -15.551 1.115 70 HG22 THR 10 1HG2 THR 10 -9.586 -14.121 0.179 71 HG23 THR 10 2HG2 THR 10 -9.009 -15.706 -0.322 72 H ALA 11 H ALA 11 -8.535 -14.321 -2.908 73 HA ALA 11 HA ALA 11 -8.832 -11.467 -2.322 74 HB1 ALA 11 1HB ALA 11 -6.357 -13.139 -2.182 75 HB2 ALA 11 2HB ALA 11 -7.271 -12.496 -0.808 76 HB3 ALA 11 3HB ALA 11 -6.447 -11.390 -1.935 77 H VAL 12 H VAL 12 -8.154 -10.041 -3.794 78 HA VAL 12 HA VAL 12 -7.574 -11.185 -6.422 79 HB VAL 12 HB VAL 12 -9.062 -8.613 -5.831 80 HG11 VAL 12 1HG1 VAL 12 -7.870 -8.488 -7.937 81 HG12 VAL 12 2HG1 VAL 12 -9.607 -8.602 -8.224 82 HG13 VAL 12 3HG1 VAL 12 -8.579 -10.017 -8.457 83 HG21 VAL 12 3HG2 VAL 12 -11.065 -9.787 -6.655 84 HG22 VAL 12 1HG2 VAL 12 -10.400 -10.554 -5.212 85 HG23 VAL 12 2HG2 VAL 12 -10.125 -11.272 -6.801 86 H VAL 13 H VAL 13 -5.675 -10.556 -7.311 87 HA VAL 13 HA VAL 13 -4.346 -8.221 -6.169 88 HB VAL 13 HB VAL 13 -3.028 -10.277 -6.146 89 HG11 VAL 13 1HG1 VAL 13 -3.958 -11.448 -8.039 90 HG12 VAL 13 2HG1 VAL 13 -2.211 -11.369 -8.157 91 HG13 VAL 13 3HG1 VAL 13 -3.210 -10.300 -9.151 92 HG21 VAL 13 3HG2 VAL 13 -1.811 -8.218 -6.319 93 HG22 VAL 13 1HG2 VAL 13 -1.927 -8.241 -8.080 94 HG23 VAL 13 2HG2 VAL 13 -0.973 -9.467 -7.239 95 H GLN 14 H GLN 14 -4.089 -6.429 -7.283 96 HA GLN 14 HA GLN 14 -4.760 -6.447 -10.146 97 HB2 GLN 14 2HB GLN 14 -6.213 -4.476 -9.868 98 HB3 GLN 14 1HB GLN 14 -6.804 -5.843 -8.945 99 HG2 GLN 14 2HG GLN 14 -7.067 -4.272 -7.326 100 HG3 GLN 14 1HG GLN 14 -5.358 -4.589 -7.052 101 HE21 GLN 14 1HE2 GLN 14 -3.854 -3.081 -7.753 102 HE22 GLN 14 2HE2 GLN 14 -4.293 -1.452 -8.110 103 H ARG 15 H ARG 15 -3.937 -4.577 -11.351 104 HA ARG 15 HA ARG 15 -1.512 -3.644 -10.075 105 HB2 ARG 15 2HB ARG 15 -0.627 -3.171 -12.266 106 HB3 ARG 15 1HB ARG 15 -1.284 -4.783 -12.267 107 HG2 ARG 15 2HG ARG 15 -1.936 -3.986 -14.342 108 HG3 ARG 15 1HG ARG 15 -3.357 -3.668 -13.362 109 HD2 ARG 15 2HD ARG 15 -2.909 -1.354 -13.221 110 HD3 ARG 15 1HD ARG 15 -1.242 -1.557 -13.749 111 HE ARG 15 HE ARG 15 -3.065 -2.388 -15.755 112 HH11 ARG 15 1HH1 ARG 15 -2.032 0.634 -14.251 113 HH12 ARG 15 2HH1 ARG 15 -1.832 1.511 -15.688 114 HH21 ARG 15 1HH2 ARG 15 -2.925 -1.175 -17.770 115 HH22 ARG 15 2HH2 ARG 15 -2.437 0.462 -17.764 116 H VAL 16 H VAL 16 -0.974 -1.547 -9.957 117 HA VAL 16 HA VAL 16 -3.042 0.404 -10.627 118 HB VAL 16 HB VAL 16 -2.886 -0.301 -8.202 119 HG11 VAL 16 1HG1 VAL 16 -1.276 0.749 -6.770 120 HG12 VAL 16 2HG1 VAL 16 -0.359 1.185 -8.227 121 HG13 VAL 16 3HG1 VAL 16 -0.692 -0.515 -7.857 122 HG21 VAL 16 3HG2 VAL 16 -4.094 1.674 -8.883 123 HG22 VAL 16 1HG2 VAL 16 -2.611 2.620 -8.799 124 HG23 VAL 16 2HG2 VAL 16 -3.309 1.916 -7.329 125 H GLU 17 H GLU 17 -2.195 2.460 -11.117 126 HA GLU 17 HA GLU 17 0.670 2.457 -11.567 127 HB2 GLU 17 2HB GLU 17 -0.351 1.616 -13.577 128 HB3 GLU 17 1HB GLU 17 -1.444 2.981 -13.617 129 HG2 GLU 17 2HG GLU 17 0.321 4.471 -14.126 130 HG3 GLU 17 1HG GLU 17 1.522 3.206 -13.851 131 H ILE 18 H ILE 18 1.319 4.003 -10.495 132 HA ILE 18 HA ILE 18 -0.253 6.444 -10.341 133 HB ILE 18 HB ILE 18 1.902 5.321 -8.563 134 HG12 ILE 18 2HG1 ILE 18 0.297 6.225 -6.759 135 HG13 ILE 18 1HG1 ILE 18 -0.824 6.481 -8.086 136 HG21 ILE 18 1HG2 ILE 18 2.098 7.467 -7.400 137 HG22 ILE 18 2HG2 ILE 18 1.169 8.223 -8.694 138 HG23 ILE 18 3HG2 ILE 18 2.737 7.494 -9.039 139 HD11 ILE 18 3HD1 ILE 18 -0.877 4.097 -8.521 140 HD12 ILE 18 1HD1 ILE 18 -1.289 4.477 -6.844 141 HD13 ILE 18 2HD1 ILE 18 0.307 3.845 -7.217 142 H HIS 19 H HIS 19 0.242 8.082 -11.448 143 HA HIS 19 HA HIS 19 2.773 8.176 -12.882 144 HB2 HIS 19 2HB HIS 19 0.315 9.894 -12.986 145 HB3 HIS 19 1HB HIS 19 1.723 10.163 -14.017 146 HD1 HIS 19 1HD HIS 19 -0.747 9.951 -15.513 147 HD2 HIS 19 2HD HIS 19 1.239 6.551 -14.261 148 HE1 HIS 19 1HE HIS 19 -1.601 8.085 -16.963 149 H LYS 20 H LYS 20 3.864 10.252 -12.837 150 HA LYS 20 HA LYS 20 4.615 11.261 -10.385 151 HB2 LYS 20 2HB LYS 20 5.335 13.339 -11.540 152 HB3 LYS 20 1HB LYS 20 5.899 11.866 -12.321 153 HG2 LYS 20 2HG LYS 20 4.349 12.116 -14.091 154 HG3 LYS 20 1HG LYS 20 3.434 13.336 -13.212 155 HD2 LYS 20 2HD LYS 20 4.752 14.363 -14.989 156 HD3 LYS 20 1HD LYS 20 5.313 14.884 -13.403 157 HE2 LYS 20 2HE LYS 20 7.196 13.401 -13.535 158 HE3 LYS 20 1HE LYS 20 6.603 12.712 -15.044 159 HZ1 LYS 20 3HZ LYS 20 6.844 14.925 -16.055 160 HZ2 LYS 20 1HZ LYS 20 8.310 14.323 -15.499 161 HZ3 LYS 20 2HZ LYS 20 7.492 15.530 -14.633 162 H LEU 21 H LEU 21 3.747 12.444 -8.826 163 HA LEU 21 HA LEU 21 1.607 14.327 -9.487 164 HB2 LEU 21 2HB LEU 21 0.710 12.608 -8.123 165 HB3 LEU 21 1HB LEU 21 2.039 12.676 -6.995 166 HG LEU 21 HG LEU 21 1.257 15.051 -6.481 167 HD11 LEU 21 1HD1 LEU 21 -1.063 15.595 -6.930 168 HD12 LEU 21 2HD1 LEU 21 -1.217 14.143 -7.914 169 HD13 LEU 21 3HD1 LEU 21 -0.121 15.432 -8.411 170 HD21 LEU 21 3HD2 LEU 21 -0.456 14.317 -4.922 171 HD22 LEU 21 1HD2 LEU 21 0.905 13.201 -4.944 172 HD23 LEU 21 2HD2 LEU 21 -0.598 12.783 -5.773 173 H ARG 22 H ARG 22 2.122 16.345 -9.168 174 HA ARG 22 HA ARG 22 4.646 16.993 -7.882 175 HB2 ARG 22 2HB ARG 22 2.693 18.753 -9.412 176 HB3 ARG 22 1HB ARG 22 4.189 19.285 -8.672 177 HG2 ARG 22 2HG ARG 22 4.462 19.066 -11.084 178 HG3 ARG 22 1HG ARG 22 5.478 17.911 -10.241 179 HD2 ARG 22 2HD ARG 22 4.448 16.931 -12.233 180 HD3 ARG 22 1HD ARG 22 3.914 16.121 -10.770 181 HE ARG 22 HE ARG 22 1.884 17.722 -11.058 182 HH11 ARG 22 1HH1 ARG 22 3.638 16.366 -13.832 183 HH12 ARG 22 2HH1 ARG 22 2.253 15.958 -14.719 184 HH21 ARG 22 1HH2 ARG 22 -0.083 17.202 -12.352 185 HH22 ARG 22 2HH2 ARG 22 0.112 16.502 -13.885 186 H GLN 23 H GLN 23 4.516 17.288 -5.658 187 HA GLN 23 HA GLN 23 2.169 18.773 -4.733 188 HB2 GLN 23 2HB GLN 23 3.796 16.595 -3.447 189 HB3 GLN 23 1HB GLN 23 2.742 17.645 -2.520 190 HG2 GLN 23 2HG GLN 23 1.761 16.035 -4.844 191 HG3 GLN 23 1HG GLN 23 1.820 15.375 -3.213 192 HE21 GLN 23 1HE2 GLN 23 1.138 17.834 -1.910 193 HE22 GLN 23 2HE2 GLN 23 -0.521 18.119 -2.228 194 H GLY 24 H GLY 24 2.977 20.798 -4.686 195 HA2 GLY 24 2HA GLY 24 4.245 22.557 -3.971 196 HA3 GLY 24 1HA GLY 24 4.871 21.495 -2.713 197 H GLU 25 H GLU 25 6.912 20.916 -2.835 198 HA GLU 25 HA GLU 25 8.305 21.360 -5.372 199 HB2 GLU 25 2HB GLU 25 9.406 21.347 -2.574 200 HB3 GLU 25 1HB GLU 25 10.374 21.517 -4.029 201 HG2 GLU 25 2HG GLU 25 9.181 23.577 -4.568 202 HG3 GLU 25 1HG GLU 25 8.243 23.399 -3.083 203 H ASN 26 H ASN 26 6.839 18.955 -4.309 204 HA ASN 26 HA ASN 26 9.129 17.081 -4.316 205 HB2 ASN 26 2HB ASN 26 6.439 16.329 -3.221 206 HB3 ASN 26 1HB ASN 26 7.998 15.586 -2.929 207 HD21 ASN 26 1HD2 ASN 26 5.860 17.964 -2.206 208 HD22 ASN 26 2HD2 ASN 26 6.530 18.667 -0.816 209 H LEU 27 H LEU 27 8.508 15.021 -5.096 210 HA LEU 27 HA LEU 27 6.377 15.034 -7.075 211 HB2 LEU 27 2HB LEU 27 8.868 15.169 -7.910 212 HB3 LEU 27 1HB LEU 27 8.995 13.535 -7.315 213 HG LEU 27 HG LEU 27 8.709 13.590 -9.724 214 HD11 LEU 27 1HD1 LEU 27 7.826 11.648 -8.583 215 HD12 LEU 27 2HD1 LEU 27 6.831 12.053 -9.981 216 HD13 LEU 27 3HD1 LEU 27 6.278 12.463 -8.356 217 HD21 LEU 27 3HD2 LEU 27 6.018 14.841 -9.238 218 HD22 LEU 27 1HD2 LEU 27 6.739 14.433 -10.791 219 HD23 LEU 27 2HD2 LEU 27 7.446 15.710 -9.804 220 H ILE 28 H ILE 28 4.963 13.722 -6.063 221 HA ILE 28 HA ILE 28 6.097 11.488 -4.516 222 HB ILE 28 HB ILE 28 3.434 12.418 -3.625 223 HG12 ILE 28 2HG1 ILE 28 5.884 14.190 -3.163 224 HG13 ILE 28 1HG1 ILE 28 4.379 14.621 -3.920 225 HG21 ILE 28 1HG2 ILE 28 4.625 10.620 -2.516 226 HG22 ILE 28 2HG2 ILE 28 4.405 12.002 -1.429 227 HG23 ILE 28 3HG2 ILE 28 5.969 11.718 -2.176 228 HD11 ILE 28 3HD1 ILE 28 3.168 14.422 -1.862 229 HD12 ILE 28 1HD1 ILE 28 4.534 15.512 -1.657 230 HD13 ILE 28 2HD1 ILE 28 4.616 13.866 -1.017 231 H LEU 29 H LEU 29 4.589 9.693 -4.293 232 HA LEU 29 HA LEU 29 3.064 9.315 -6.706 233 HB2 LEU 29 2HB LEU 29 4.002 7.506 -4.508 234 HB3 LEU 29 1HB LEU 29 2.793 6.952 -5.637 235 HG LEU 29 HG LEU 29 4.462 7.439 -7.486 236 HD11 LEU 29 1HD1 LEU 29 6.824 7.549 -6.922 237 HD12 LEU 29 2HD1 LEU 29 6.412 7.681 -5.215 238 HD13 LEU 29 3HD1 LEU 29 5.941 8.959 -6.335 239 HD21 LEU 29 3HD2 LEU 29 4.032 5.196 -6.760 240 HD22 LEU 29 1HD2 LEU 29 5.161 5.386 -5.414 241 HD23 LEU 29 2HD2 LEU 29 5.759 5.410 -7.072 242 H GLY 30 H GLY 30 2.488 10.665 -3.872 243 HA2 GLY 30 2HA GLY 30 0.415 11.625 -3.373 244 HA3 GLY 30 1HA GLY 30 -0.322 10.363 -4.342 245 H PHE 31 H PHE 31 0.737 8.100 -3.019 246 HA PHE 31 HA PHE 31 -0.919 8.227 -0.625 247 HB2 PHE 31 2HB PHE 31 -1.104 5.836 -0.835 248 HB3 PHE 31 1HB PHE 31 -1.408 6.582 -2.387 249 HD1 PHE 31 2HD PHE 31 0.246 6.438 -4.157 250 HD2 PHE 31 1HD PHE 31 0.645 4.374 -0.505 251 HE1 PHE 31 2HE PHE 31 1.903 4.966 -5.199 252 HE2 PHE 31 1HE PHE 31 2.298 2.869 -1.502 253 HZ PHE 31 HZ PHE 31 2.958 3.168 -3.870 254 H SER 32 H SER 32 -0.240 6.684 1.173 255 HA SER 32 HA SER 32 2.625 6.847 1.771 256 HB2 SER 32 2HB SER 32 0.318 7.454 3.604 257 HB3 SER 32 1HB SER 32 2.017 7.345 4.061 258 HG SER 32 HG SER 32 2.200 9.018 2.235 259 H ILE 33 H ILE 33 3.122 5.304 3.720 260 HA ILE 33 HA ILE 33 1.506 2.864 3.406 261 HB ILE 33 HB ILE 33 3.401 1.517 3.224 262 HG12 ILE 33 2HG1 ILE 33 5.126 3.937 3.952 263 HG13 ILE 33 1HG1 ILE 33 4.805 2.514 4.947 264 HG21 ILE 33 1HG2 ILE 33 3.846 4.020 1.636 265 HG22 ILE 33 2HG2 ILE 33 2.889 2.616 1.157 266 HG23 ILE 33 3HG2 ILE 33 4.644 2.499 1.327 267 HD11 ILE 33 3HD1 ILE 33 6.958 2.221 4.122 268 HD12 ILE 33 1HD1 ILE 33 6.481 2.631 2.457 269 HD13 ILE 33 2HD1 ILE 33 5.896 1.159 3.192 270 H GLY 34 H GLY 34 2.022 1.291 5.122 271 HA2 GLY 34 2HA GLY 34 2.345 2.743 7.669 272 HA3 GLY 34 1HA GLY 34 1.402 1.266 7.477 273 H GLY 35 H GLY 35 3.557 0.233 5.696 274 HA2 GLY 35 2HA GLY 35 5.965 -0.249 6.306 275 HA3 GLY 35 1HA GLY 35 5.335 -0.542 7.874 276 H GLY 36 H GLY 36 6.726 -2.494 6.653 277 HA2 GLY 36 2HA GLY 36 4.638 -4.435 6.022 278 HA3 GLY 36 1HA GLY 36 6.283 -4.505 5.409 279 H ILE 37 H ILE 37 7.636 -5.816 6.426 280 HA ILE 37 HA ILE 37 6.702 -7.344 8.628 281 HB ILE 37 HB ILE 37 8.704 -8.604 8.567 282 HG12 ILE 37 2HG1 ILE 37 10.278 -6.607 8.479 283 HG13 ILE 37 1HG1 ILE 37 10.794 -7.966 7.451 284 HG21 ILE 37 1HG2 ILE 37 8.870 -9.218 6.197 285 HG22 ILE 37 2HG2 ILE 37 7.998 -7.742 5.782 286 HG23 ILE 37 3HG2 ILE 37 7.202 -8.996 6.730 287 HD11 ILE 37 3HD1 ILE 37 11.175 -5.854 6.404 288 HD12 ILE 37 1HD1 ILE 37 9.537 -5.340 6.748 289 HD13 ILE 37 2HD1 ILE 37 9.824 -6.617 5.570 290 H ASP 38 H ASP 38 8.581 -4.503 8.401 291 HA ASP 38 HA ASP 38 9.913 -4.655 10.895 292 HB2 ASP 38 2HB ASP 38 10.637 -3.228 9.025 293 HB3 ASP 38 1HB ASP 38 9.173 -2.284 9.163 294 H GLN 39 H GLN 39 6.680 -4.218 10.052 295 HA GLN 39 HA GLN 39 6.059 -2.721 12.524 296 HB2 GLN 39 2HB GLN 39 3.984 -3.350 10.460 297 HB3 GLN 39 1HB GLN 39 4.152 -1.903 11.425 298 HG2 GLN 39 2HG GLN 39 5.772 -2.616 9.072 299 HG3 GLN 39 1HG GLN 39 4.493 -1.413 9.240 300 HE21 GLN 39 1HE2 GLN 39 7.391 -1.400 8.594 301 HE22 GLN 39 2HE2 GLN 39 8.101 -0.178 9.571 302 H ASP 40 H ASP 40 4.260 -3.570 13.812 303 HA ASP 40 HA ASP 40 4.159 -6.508 13.754 304 HB2 ASP 40 2HB ASP 40 4.389 -4.921 16.002 305 HB3 ASP 40 1HB ASP 40 2.713 -4.882 15.709 306 HA PRO 41 HA PRO 41 0.258 -6.045 11.681 307 HB2 PRO 41 2HB PRO 41 -0.611 -8.636 12.010 308 HB3 PRO 41 1HB PRO 41 0.470 -8.047 10.735 309 HG2 PRO 41 2HG PRO 41 1.137 -9.447 13.294 310 HG3 PRO 41 1HG PRO 41 1.855 -9.666 11.689 311 HD2 PRO 41 2HD PRO 41 3.079 -8.232 13.615 312 HD3 PRO 41 1HD PRO 41 3.199 -7.795 11.905 313 H SER 42 H SER 42 0.589 -7.240 14.938 314 HA SER 42 HA SER 42 -2.188 -7.513 15.504 315 HB2 SER 42 2HB SER 42 -0.039 -7.052 17.537 316 HB3 SER 42 1HB SER 42 -1.477 -8.074 17.654 317 HG SER 42 HG SER 42 0.955 -8.474 16.430 318 H GLN 43 H GLN 43 0.026 -4.858 15.442 319 HA GLN 43 HA GLN 43 -1.966 -3.165 16.776 320 HB2 GLN 43 2HB GLN 43 -0.021 -1.721 17.511 321 HB3 GLN 43 1HB GLN 43 -0.119 -3.287 18.317 322 HG2 GLN 43 2HG GLN 43 1.521 -3.468 16.041 323 HG3 GLN 43 1HG GLN 43 1.958 -1.993 16.888 324 HE21 GLN 43 1HE2 GLN 43 0.681 -4.892 18.376 325 HE22 GLN 43 2HE2 GLN 43 2.072 -5.253 19.319 326 H ASN 44 H ASN 44 -1.399 -3.855 13.968 327 HA ASN 44 HA ASN 44 -0.865 -1.142 13.001 328 HB2 ASN 44 2HB ASN 44 -0.033 -3.735 11.968 329 HB3 ASN 44 1HB ASN 44 -0.612 -2.597 10.779 330 HD21 ASN 44 1HD2 ASN 44 1.804 -2.951 13.287 331 HD22 ASN 44 2HD2 ASN 44 2.828 -1.661 12.751 332 HA PRO 45 HA PRO 45 -4.910 -0.524 11.842 333 HB2 PRO 45 2HB PRO 45 -4.614 1.127 9.704 334 HB3 PRO 45 1HB PRO 45 -4.234 1.580 11.375 335 HG2 PRO 45 2HG PRO 45 -2.348 0.585 9.273 336 HG3 PRO 45 1HG PRO 45 -2.214 2.055 10.272 337 HD2 PRO 45 2HD PRO 45 -0.941 -0.179 10.917 338 HD3 PRO 45 1HD PRO 45 -1.720 0.826 12.176 339 H PHE 46 H PHE 46 -2.843 -1.370 9.134 340 HA PHE 46 HA PHE 46 -5.158 -2.706 7.891 341 HB2 PHE 46 2HB PHE 46 -2.800 -1.476 6.440 342 HB3 PHE 46 1HB PHE 46 -4.265 -2.139 5.716 343 HD1 PHE 46 2HD PHE 46 -6.483 -1.012 6.253 344 HD2 PHE 46 1HD PHE 46 -2.707 0.747 7.100 345 HE1 PHE 46 2HE PHE 46 -7.550 1.201 6.435 346 HE2 PHE 46 1HE PHE 46 -3.770 2.949 7.291 347 HZ PHE 46 HZ PHE 46 -6.171 3.191 6.953 348 H SER 47 H SER 47 -2.980 -3.591 9.770 349 HA SER 47 HA SER 47 -2.129 -5.889 8.140 350 HB2 SER 47 2HB SER 47 -0.402 -4.107 9.007 351 HB3 SER 47 1HB SER 47 -0.722 -4.865 10.547 352 HG SER 47 HG SER 47 1.087 -5.666 9.101 353 H GLU 48 H GLU 48 -4.210 -4.811 10.384 354 HA GLU 48 HA GLU 48 -3.838 -6.732 12.438 355 HB2 GLU 48 2HB GLU 48 -5.990 -5.777 13.319 356 HB3 GLU 48 1HB GLU 48 -4.672 -4.624 13.111 357 HG2 GLU 48 2HG GLU 48 -5.670 -3.853 11.020 358 HG3 GLU 48 1HG GLU 48 -6.976 -5.019 11.214 359 H ASP 49 H ASP 49 -5.091 -6.848 9.419 360 HA ASP 49 HA ASP 49 -7.518 -8.241 9.761 361 HB2 ASP 49 2HB ASP 49 -7.459 -8.550 7.355 362 HB3 ASP 49 1HB ASP 49 -7.014 -6.901 7.755 363 H LYS 50 H LYS 50 -4.223 -9.172 9.056 364 HA LYS 50 HA LYS 50 -4.463 -11.584 10.434 365 HB2 LYS 50 2HB LYS 50 -3.920 -13.121 8.507 366 HB3 LYS 50 1HB LYS 50 -5.557 -12.508 8.513 367 HG2 LYS 50 2HG LYS 50 -4.847 -10.820 6.803 368 HG3 LYS 50 1HG LYS 50 -3.289 -11.648 6.732 369 HD2 LYS 50 2HD LYS 50 -4.357 -13.710 6.065 370 HD3 LYS 50 1HD LYS 50 -5.948 -12.992 6.262 371 HE2 LYS 50 2HE LYS 50 -5.408 -13.070 3.921 372 HE3 LYS 50 1HE LYS 50 -5.411 -11.392 4.451 373 HZ1 LYS 50 3HZ LYS 50 -2.980 -11.434 4.469 374 HZ2 LYS 50 1HZ LYS 50 -3.573 -11.922 2.979 375 HZ3 LYS 50 2HZ LYS 50 -2.984 -13.063 4.056 376 H THR 51 H THR 51 -2.308 -12.924 9.967 377 HA THR 51 HA THR 51 -0.303 -11.039 10.741 378 HB THR 51 HB THR 51 0.983 -13.269 11.001 379 HG1 THR 51 1HG THR 51 -0.099 -14.961 10.332 380 HG21 THR 51 3HG2 THR 51 -0.012 -11.961 12.839 381 HG22 THR 51 1HG2 THR 51 -0.196 -13.698 13.108 382 HG23 THR 51 2HG2 THR 51 -1.563 -12.742 12.534 383 H ASP 52 H ASP 52 -1.221 -11.305 7.962 384 HA ASP 52 HA ASP 52 1.154 -12.139 6.507 385 HB2 ASP 52 2HB ASP 52 -1.048 -12.864 5.725 386 HB3 ASP 52 1HB ASP 52 -1.555 -11.190 5.603 387 H LYS 53 H LYS 53 2.638 -10.627 6.753 388 HA LYS 53 HA LYS 53 1.914 -7.844 6.834 389 HB2 LYS 53 2HB LYS 53 4.596 -9.168 7.151 390 HB3 LYS 53 1HB LYS 53 4.277 -7.455 7.398 391 HG2 LYS 53 2HG LYS 53 2.725 -8.024 9.221 392 HG3 LYS 53 1HG LYS 53 3.090 -9.730 8.983 393 HD2 LYS 53 2HD LYS 53 5.079 -7.599 9.769 394 HD3 LYS 53 1HD LYS 53 4.337 -8.770 10.847 395 HE2 LYS 53 2HE LYS 53 6.104 -9.479 8.520 396 HE3 LYS 53 1HE LYS 53 6.594 -9.410 10.209 397 HZ1 LYS 53 3HZ LYS 53 4.554 -11.263 9.070 398 HZ2 LYS 53 1HZ LYS 53 5.022 -11.165 10.710 399 HZ3 LYS 53 2HZ LYS 53 6.128 -11.629 9.532 400 H GLY 54 H GLY 54 3.788 -6.501 5.812 401 HA2 GLY 54 2HA GLY 54 5.032 -6.602 3.537 402 HA3 GLY 54 1HA GLY 54 3.375 -6.930 2.970 403 H ILE 55 H ILE 55 4.518 -4.627 2.125 404 HA ILE 55 HA ILE 55 3.883 -2.477 3.931 405 HB ILE 55 HB ILE 55 4.717 -2.545 1.011 406 HG12 ILE 55 2HG1 ILE 55 6.341 -3.347 2.743 407 HG13 ILE 55 1HG1 ILE 55 6.928 -2.002 1.786 408 HG21 ILE 55 1HG2 ILE 55 4.462 -0.215 2.905 409 HG22 ILE 55 2HG2 ILE 55 3.433 -0.502 1.516 410 HG23 ILE 55 3HG2 ILE 55 5.152 -0.128 1.286 411 HD11 ILE 55 3HD1 ILE 55 6.511 -0.503 3.562 412 HD12 ILE 55 1HD1 ILE 55 7.458 -1.845 4.179 413 HD13 ILE 55 2HD1 ILE 55 5.710 -1.722 4.502 414 H TYR 56 H TYR 56 2.053 -1.420 4.105 415 HA TYR 56 HA TYR 56 0.082 -1.816 2.034 416 HB2 TYR 56 2HB TYR 56 -1.577 -1.572 4.134 417 HB3 TYR 56 1HB TYR 56 -0.961 -3.139 3.617 418 HD1 TYR 56 2HD TYR 56 -0.393 -0.389 6.072 419 HD2 TYR 56 1HD TYR 56 0.389 -4.398 4.959 420 HE1 TYR 56 2HE TYR 56 0.743 -0.766 8.230 421 HE2 TYR 56 1HE TYR 56 1.535 -4.799 7.014 422 HH TYR 56 HH TYR 56 1.549 -2.416 9.635 423 H VAL 57 H VAL 57 -1.323 -0.164 1.757 424 HA VAL 57 HA VAL 57 -0.151 2.404 2.164 425 HB VAL 57 HB VAL 57 -2.699 1.550 0.788 426 HG11 VAL 57 1HG1 VAL 57 -1.338 4.231 0.810 427 HG12 VAL 57 2HG1 VAL 57 -2.907 3.850 1.519 428 HG13 VAL 57 3HG1 VAL 57 -2.673 3.757 -0.229 429 HG21 VAL 57 3HG2 VAL 57 0.081 2.119 -0.113 430 HG22 VAL 57 1HG2 VAL 57 -1.305 2.298 -1.189 431 HG23 VAL 57 2HG2 VAL 57 -0.972 0.734 -0.453 432 H THR 58 H THR 58 -0.660 3.901 3.621 433 HA THR 58 HA THR 58 -2.924 3.386 5.372 434 HB THR 58 HB THR 58 -1.659 5.050 6.852 435 HG1 THR 58 1HG THR 58 0.705 4.911 6.236 436 HG21 THR 58 3HG2 THR 58 -1.734 2.652 7.327 437 HG22 THR 58 1HG2 THR 58 -0.120 3.274 7.650 438 HG23 THR 58 2HG2 THR 58 -0.428 2.354 6.178 439 H ARG 59 H ARG 59 -1.680 5.552 2.982 440 HA ARG 59 HA ARG 59 -4.065 7.250 3.318 441 HB2 ARG 59 2HB ARG 59 -1.693 8.222 4.165 442 HB3 ARG 59 1HB ARG 59 -1.575 8.464 2.436 443 HG2 ARG 59 2HG ARG 59 -3.964 9.521 2.661 444 HG3 ARG 59 1HG ARG 59 -3.417 9.853 4.300 445 HD2 ARG 59 2HD ARG 59 -2.154 10.752 1.711 446 HD3 ARG 59 1HD ARG 59 -2.928 11.756 2.925 447 HE ARG 59 HE ARG 59 -0.766 10.399 4.088 448 HH11 ARG 59 1HH1 ARG 59 -1.459 13.095 1.873 449 HH12 ARG 59 2HH1 ARG 59 0.071 13.824 2.028 450 HH21 ARG 59 1HH2 ARG 59 1.382 11.410 4.261 451 HH22 ARG 59 2HH2 ARG 59 1.712 12.843 3.411 452 H VAL 60 H VAL 60 -4.796 7.860 1.336 453 HA VAL 60 HA VAL 60 -3.053 7.442 -0.934 454 HB VAL 60 HB VAL 60 -5.990 6.527 -0.829 455 HG11 VAL 60 1HG1 VAL 60 -5.999 6.181 -3.136 456 HG12 VAL 60 2HG1 VAL 60 -4.379 6.853 -3.271 457 HG13 VAL 60 3HG1 VAL 60 -5.726 7.895 -2.802 458 HG21 VAL 60 3HG2 VAL 60 -4.377 4.927 -0.167 459 HG22 VAL 60 1HG2 VAL 60 -3.453 5.219 -1.644 460 HG23 VAL 60 2HG2 VAL 60 -5.072 4.509 -1.743 461 H SER 61 H SER 61 -3.057 8.959 -2.353 462 HA SER 61 HA SER 61 -3.555 11.572 -1.605 463 HB2 SER 61 2HB SER 61 -2.019 10.634 -3.395 464 HB3 SER 61 1HB SER 61 -3.460 10.582 -4.419 465 HG SER 61 HG SER 61 -2.681 12.931 -3.083 466 H GLU 62 H GLU 62 -5.370 12.597 -1.422 467 HA GLU 62 HA GLU 62 -7.928 11.575 -2.261 468 HB2 GLU 62 2HB GLU 62 -8.755 13.557 -1.137 469 HB3 GLU 62 1HB GLU 62 -7.565 12.682 -0.154 470 HG2 GLU 62 2HG GLU 62 -5.850 14.270 -0.935 471 HG3 GLU 62 1HG GLU 62 -7.097 15.165 -1.768 472 H GLY 63 H GLY 63 -5.692 13.054 -3.889 473 HA2 GLY 63 2HA GLY 63 -7.383 13.989 -5.986 474 HA3 GLY 63 1HA GLY 63 -6.589 15.314 -5.124 475 H GLY 64 H GLY 64 -5.443 12.097 -5.700 476 HA2 GLY 64 2HA GLY 64 -3.404 13.206 -7.484 477 HA3 GLY 64 1HA GLY 64 -2.965 12.257 -6.068 478 HA PRO 65 HA PRO 65 -3.191 9.680 -9.983 479 HB2 PRO 65 2HB PRO 65 -0.806 8.449 -9.541 480 HB3 PRO 65 1HB PRO 65 -0.942 9.999 -10.370 481 HG2 PRO 65 2HG PRO 65 -0.236 9.466 -7.498 482 HG3 PRO 65 1HG PRO 65 0.482 10.605 -8.623 483 HD2 PRO 65 2HD PRO 65 -1.333 11.300 -6.776 484 HD3 PRO 65 1HD PRO 65 -1.226 12.138 -8.355 485 H ALA 66 H ALA 66 -2.420 8.953 -6.707 486 HA ALA 66 HA ALA 66 -2.528 6.181 -6.776 487 HB1 ALA 66 1HB ALA 66 -3.232 8.003 -4.484 488 HB2 ALA 66 2HB ALA 66 -1.610 7.499 -4.938 489 HB3 ALA 66 3HB ALA 66 -2.762 6.297 -4.370 490 H GLU 67 H GLU 67 -5.184 8.375 -5.703 491 HA GLU 67 HA GLU 67 -7.027 6.201 -5.873 492 HB2 GLU 67 2HB GLU 67 -8.851 7.799 -5.499 493 HB3 GLU 67 1HB GLU 67 -7.564 7.996 -4.326 494 HG2 GLU 67 2HG GLU 67 -6.918 10.024 -5.180 495 HG3 GLU 67 1HG GLU 67 -7.648 9.781 -6.748 496 H ILE 68 H ILE 68 -5.994 8.622 -8.126 497 HA ILE 68 HA ILE 68 -8.034 8.342 -10.020 498 HB ILE 68 HB ILE 68 -5.133 9.095 -10.274 499 HG12 ILE 68 2HG1 ILE 68 -6.550 10.724 -9.175 500 HG13 ILE 68 1HG1 ILE 68 -6.015 11.339 -10.732 501 HG21 ILE 68 1HG2 ILE 68 -7.127 9.098 -12.535 502 HG22 ILE 68 2HG2 ILE 68 -5.681 8.092 -12.407 503 HG23 ILE 68 3HG2 ILE 68 -5.525 9.839 -12.588 504 HD11 ILE 68 3HD1 ILE 68 -8.312 11.922 -10.397 505 HD12 ILE 68 1HD1 ILE 68 -8.750 10.241 -10.077 506 HD13 ILE 68 2HD1 ILE 68 -8.212 10.724 -11.683 507 H ALA 69 H ALA 69 -5.094 6.457 -9.568 508 HA ALA 69 HA ALA 69 -5.663 4.723 -11.774 509 HB1 ALA 69 1HB ALA 69 -3.793 3.405 -10.938 510 HB2 ALA 69 2HB ALA 69 -3.768 4.380 -9.468 511 HB3 ALA 69 3HB ALA 69 -3.383 5.117 -11.018 512 H GLY 70 H GLY 70 -5.913 4.387 -8.238 513 HA2 GLY 70 2HA GLY 70 -8.200 3.263 -7.801 514 HA3 GLY 70 1HA GLY 70 -7.459 1.931 -8.674 515 H LEU 71 H LEU 71 -5.311 3.762 -6.705 516 HA LEU 71 HA LEU 71 -4.873 1.553 -4.974 517 HB2 LEU 71 2HB LEU 71 -3.075 3.097 -5.797 518 HB3 LEU 71 1HB LEU 71 -3.831 4.391 -4.918 519 HG LEU 71 HG LEU 71 -2.834 3.790 -2.919 520 HD11 LEU 71 1HD1 LEU 71 -2.225 1.331 -2.465 521 HD12 LEU 71 2HD1 LEU 71 -2.797 0.935 -4.078 522 HD13 LEU 71 3HD1 LEU 71 -3.930 1.497 -2.857 523 HD21 LEU 71 3HD2 LEU 71 -1.131 4.106 -4.597 524 HD22 LEU 71 1HD2 LEU 71 -1.155 2.385 -4.972 525 HD23 LEU 71 2HD2 LEU 71 -0.635 2.936 -3.379 526 H GLN 72 H GLN 72 -5.775 1.164 -3.048 527 HA GLN 72 HA GLN 72 -7.513 3.243 -1.972 528 HB2 GLN 72 2HB GLN 72 -7.707 0.239 -1.689 529 HB3 GLN 72 1HB GLN 72 -8.823 1.432 -1.033 530 HG2 GLN 72 2HG GLN 72 -8.297 1.024 -3.953 531 HG3 GLN 72 1HG GLN 72 -9.638 0.300 -3.069 532 HE21 GLN 72 1HE2 GLN 72 -8.218 3.279 -4.143 533 HE22 GLN 72 2HE2 GLN 72 -9.665 4.205 -4.163 534 H ILE 73 H ILE 73 -7.446 3.565 0.165 535 HA ILE 73 HA ILE 73 -5.068 2.972 1.595 536 HB ILE 73 HB ILE 73 -7.745 3.933 2.647 537 HG12 ILE 73 2HG1 ILE 73 -5.178 5.381 2.040 538 HG13 ILE 73 1HG1 ILE 73 -6.691 5.522 1.144 539 HG21 ILE 73 1HG2 ILE 73 -6.552 4.556 4.684 540 HG22 ILE 73 2HG2 ILE 73 -5.082 3.828 4.042 541 HG23 ILE 73 3HG2 ILE 73 -6.482 2.813 4.399 542 HD11 ILE 73 3HD1 ILE 73 -6.283 7.426 2.605 543 HD12 ILE 73 1HD1 ILE 73 -6.233 6.339 3.997 544 HD13 ILE 73 2HD1 ILE 73 -7.738 6.542 3.096 545 H GLY 74 H GLY 74 -4.505 1.171 2.638 546 HA2 GLY 74 2HA GLY 74 -5.081 -0.580 4.165 547 HA3 GLY 74 1HA GLY 74 -6.633 -0.714 3.349 548 H ASP 75 H ASP 75 -4.938 -0.247 0.792 549 HA ASP 75 HA ASP 75 -4.784 -2.931 0.006 550 HB2 ASP 75 2HB ASP 75 -3.715 -0.399 -1.195 551 HB3 ASP 75 1HB ASP 75 -3.351 -1.951 -1.919 552 H LYS 76 H LYS 76 -3.301 -4.393 0.285 553 HA LYS 76 HA LYS 76 -0.722 -3.638 1.409 554 HB2 LYS 76 2HB LYS 76 -1.779 -6.408 0.721 555 HB3 LYS 76 1HB LYS 76 -0.310 -6.025 1.599 556 HG2 LYS 76 2HG LYS 76 -1.604 -5.213 3.489 557 HG3 LYS 76 1HG LYS 76 -3.109 -5.515 2.605 558 HD2 LYS 76 2HD LYS 76 -2.449 -7.915 2.416 559 HD3 LYS 76 1HD LYS 76 -1.048 -7.574 3.419 560 HE2 LYS 76 2HE LYS 76 -3.902 -7.129 4.299 561 HE3 LYS 76 1HE LYS 76 -3.016 -8.614 4.587 562 HZ1 LYS 76 3HZ LYS 76 -2.346 -5.921 5.700 563 HZ2 LYS 76 1HZ LYS 76 -1.441 -7.362 5.948 564 HZ3 LYS 76 2HZ LYS 76 -3.045 -7.227 6.469 565 H ILE 77 H ILE 77 0.987 -3.378 0.088 566 HA ILE 77 HA ILE 77 0.577 -3.946 -2.730 567 HB ILE 77 HB ILE 77 2.985 -2.582 -1.520 568 HG12 ILE 77 2HG1 ILE 77 1.851 -0.440 -2.543 569 HG13 ILE 77 1HG1 ILE 77 0.359 -1.333 -2.297 570 HG21 ILE 77 1HG2 ILE 77 1.820 -2.610 -4.280 571 HG22 ILE 77 2HG2 ILE 77 3.288 -3.431 -3.727 572 HG23 ILE 77 3HG2 ILE 77 3.221 -1.663 -3.778 573 HD11 ILE 77 3HD1 ILE 77 2.372 -0.736 -0.175 574 HD12 ILE 77 1HD1 ILE 77 0.796 -1.480 0.058 575 HD13 ILE 77 2HD1 ILE 77 0.923 0.211 -0.466 576 H MET 78 H MET 78 1.532 -5.610 -3.682 577 HA MET 78 HA MET 78 3.497 -7.041 -2.054 578 HB2 MET 78 2HB MET 78 1.466 -8.170 -3.975 579 HB3 MET 78 1HB MET 78 2.745 -9.120 -3.223 580 HG2 MET 78 2HG MET 78 0.611 -7.592 -1.759 581 HG3 MET 78 1HG MET 78 0.627 -9.337 -2.027 582 HE1 MET 78 3HE MET 78 1.495 -8.547 1.851 583 HE2 MET 78 1HE MET 78 0.244 -9.226 0.793 584 HE3 MET 78 2HE MET 78 0.596 -7.495 0.768 585 H GLN 79 H GLN 79 3.220 -5.227 -4.793 586 HA GLN 79 HA GLN 79 5.830 -5.949 -5.665 587 HB2 GLN 79 2HB GLN 79 4.417 -7.741 -6.657 588 HB3 GLN 79 1HB GLN 79 3.450 -6.560 -7.476 589 HG2 GLN 79 2HG GLN 79 6.377 -6.863 -8.024 590 HG3 GLN 79 1HG GLN 79 5.172 -7.903 -8.783 591 HE21 GLN 79 1HE2 GLN 79 6.608 -4.834 -8.676 592 HE22 GLN 79 2HE2 GLN 79 5.720 -4.161 -10.028 593 H VAL 80 H VAL 80 6.790 -4.220 -6.744 594 HA VAL 80 HA VAL 80 5.212 -1.840 -7.477 595 HB VAL 80 HB VAL 80 7.381 -1.907 -5.333 596 HG11 VAL 80 1HG1 VAL 80 7.349 0.559 -5.314 597 HG12 VAL 80 2HG1 VAL 80 6.385 0.544 -6.796 598 HG13 VAL 80 3HG1 VAL 80 8.014 -0.111 -6.798 599 HG21 VAL 80 3HG2 VAL 80 5.722 -0.578 -4.067 600 HG22 VAL 80 1HG2 VAL 80 5.209 -2.216 -4.473 601 HG23 VAL 80 2HG2 VAL 80 4.577 -0.863 -5.386 602 H ASN 81 H ASN 81 5.939 -1.330 -9.456 603 HA ASN 81 HA ASN 81 7.175 -1.185 -11.267 604 HB2 ASN 81 2HB ASN 81 7.941 0.734 -9.759 605 HB3 ASN 81 1HB ASN 81 9.408 -0.207 -9.515 606 HD21 ASN 81 1HD2 ASN 81 7.432 1.358 -11.842 607 HD22 ASN 81 2HD2 ASN 81 8.589 1.547 -13.071 608 H GLY 82 H GLY 82 7.123 -3.534 -10.976 609 HA2 GLY 82 2HA GLY 82 7.964 -5.466 -11.609 610 HA3 GLY 82 1HA GLY 82 9.507 -4.684 -12.017 611 H TRP 83 H TRP 83 9.294 -3.923 -8.930 612 HA TRP 83 HA TRP 83 10.741 -6.279 -8.040 613 HB2 TRP 83 2HB TRP 83 12.046 -4.724 -7.007 614 HB3 TRP 83 1HB TRP 83 11.014 -3.484 -7.682 615 HD1 TRP 83 HD TRP 83 8.817 -2.881 -6.009 616 HE1 TRP 83 1HE TRP 83 8.891 -2.494 -3.420 617 HE3 TRP 83 3HE TRP 83 13.173 -5.273 -4.931 618 HZ2 TRP 83 2HZ TRP 83 10.531 -3.073 -1.349 619 HZ3 TRP 83 3HZ TRP 83 13.951 -5.296 -2.592 620 HH2 TRP 83 HH TRP 83 12.641 -4.201 -0.826 621 H ASP 84 H ASP 84 10.228 -7.199 -5.947 622 HA ASP 84 HA ASP 84 7.345 -7.253 -5.516 623 HB2 ASP 84 2HB ASP 84 9.518 -9.130 -4.587 624 HB3 ASP 84 1HB ASP 84 7.852 -9.240 -4.036 625 H MET 85 H MET 85 6.409 -6.410 -3.843 626 HA MET 85 HA MET 85 8.098 -5.258 -1.743 627 HB2 MET 85 2HB MET 85 6.959 -3.537 -2.981 628 HB3 MET 85 1HB MET 85 5.427 -4.380 -2.870 629 HG2 MET 85 2HG MET 85 5.097 -3.758 -0.678 630 HG3 MET 85 1HG MET 85 6.793 -3.408 -0.392 631 HE1 MET 85 3HE MET 85 7.600 -1.538 -2.856 632 HE2 MET 85 1HE MET 85 8.019 -1.286 -1.158 633 HE3 MET 85 2HE MET 85 7.292 0.015 -2.093 634 H THR 86 H THR 86 6.373 -7.846 -2.244 635 HA THR 86 HA THR 86 4.634 -8.108 -0.092 636 HB THR 86 HB THR 86 4.620 -9.627 -2.023 637 HG1 THR 86 1HG THR 86 3.804 -10.267 0.045 638 HG21 THR 86 3HG2 THR 86 7.040 -9.878 -2.339 639 HG22 THR 86 1HG2 THR 86 6.247 -11.451 -2.225 640 HG23 THR 86 2HG2 THR 86 7.134 -10.805 -0.846 641 H MET 87 H MET 87 8.096 -8.201 -0.092 642 HA MET 87 HA MET 87 8.087 -8.705 2.785 643 HB2 MET 87 2HB MET 87 8.641 -10.863 1.682 644 HB3 MET 87 1HB MET 87 9.923 -10.072 0.794 645 HG2 MET 87 2HG MET 87 10.909 -11.314 2.576 646 HG3 MET 87 1HG MET 87 11.066 -9.599 2.944 647 HE1 MET 87 3HE MET 87 9.186 -12.957 3.782 648 HE2 MET 87 1HE MET 87 7.858 -11.895 3.316 649 HE3 MET 87 2HE MET 87 8.019 -12.417 4.990 650 H VAL 88 H VAL 88 8.508 -6.410 3.068 651 HA VAL 88 HA VAL 88 11.242 -5.681 2.692 652 HB VAL 88 HB VAL 88 10.361 -5.145 0.454 653 HG11 VAL 88 1HG1 VAL 88 8.696 -3.366 0.169 654 HG12 VAL 88 2HG1 VAL 88 8.405 -3.390 1.907 655 HG13 VAL 88 3HG1 VAL 88 8.023 -4.803 0.936 656 HG21 VAL 88 3HG2 VAL 88 12.104 -3.744 1.290 657 HG22 VAL 88 1HG2 VAL 88 10.942 -2.782 2.190 658 HG23 VAL 88 2HG2 VAL 88 10.940 -2.712 0.445 659 H THR 89 H THR 89 11.801 -3.842 3.952 660 HA THR 89 HA THR 89 10.039 -3.376 6.123 661 HB THR 89 HB THR 89 11.841 -1.707 6.760 662 HG1 THR 89 1HG THR 89 13.841 -2.293 5.682 663 HG21 THR 89 3HG2 THR 89 11.693 -4.017 7.651 664 HG22 THR 89 1HG2 THR 89 13.354 -3.419 7.568 665 HG23 THR 89 2HG2 THR 89 12.766 -4.546 6.354 666 H HIS 90 H HIS 90 9.437 -1.330 6.782 667 HA HIS 90 HA HIS 90 8.037 0.259 4.970 668 HB2 HIS 90 2HB HIS 90 7.657 0.218 7.392 669 HB3 HIS 90 1HB HIS 90 9.174 1.003 7.694 670 HD1 HIS 90 1HD HIS 90 5.689 1.723 7.592 671 HD2 HIS 90 2HD HIS 90 9.072 3.729 6.294 672 HE1 HIS 90 1HE HIS 90 4.960 4.028 7.147 673 H ASP 91 H ASP 91 11.271 0.574 6.259 674 HA ASP 91 HA ASP 91 12.015 3.093 5.282 675 HB2 ASP 91 2HB ASP 91 13.181 1.747 6.976 676 HB3 ASP 91 1HB ASP 91 13.711 0.686 5.707 677 H GLN 92 H GLN 92 12.525 -0.101 3.875 678 HA GLN 92 HA GLN 92 13.923 0.912 1.571 679 HB2 GLN 92 2HB GLN 92 12.963 -1.680 2.529 680 HB3 GLN 92 1HB GLN 92 13.154 -1.606 0.801 681 HG2 GLN 92 2HG GLN 92 15.077 -2.490 2.238 682 HG3 GLN 92 1HG GLN 92 15.471 -1.313 0.990 683 HE21 GLN 92 1HE2 GLN 92 14.674 -1.586 4.329 684 HE22 GLN 92 2HE2 GLN 92 15.707 -0.307 4.893 685 H ALA 93 H ALA 93 10.723 -0.038 2.289 686 HA ALA 93 HA ALA 93 9.655 0.111 -0.320 687 HB1 ALA 93 1HB ALA 93 8.563 -0.971 1.560 688 HB2 ALA 93 2HB ALA 93 7.503 0.155 0.710 689 HB3 ALA 93 3HB ALA 93 8.215 0.607 2.262 690 H ARG 94 H ARG 94 9.806 2.508 2.273 691 HA ARG 94 HA ARG 94 8.392 4.543 1.082 692 HB2 ARG 94 2HB ARG 94 10.572 4.469 3.103 693 HB3 ARG 94 1HB ARG 94 10.037 6.048 2.522 694 HG2 ARG 94 2HG ARG 94 8.128 4.003 3.578 695 HG3 ARG 94 1HG ARG 94 9.013 5.085 4.651 696 HD2 ARG 94 2HD ARG 94 7.415 6.086 2.336 697 HD3 ARG 94 1HD ARG 94 6.666 5.812 3.923 698 HE ARG 94 HE ARG 94 9.001 7.348 4.216 699 HH11 ARG 94 1HH1 ARG 94 5.677 7.910 2.940 700 HH12 ARG 94 2HH1 ARG 94 5.681 9.526 3.466 701 HH21 ARG 94 1HH2 ARG 94 8.883 9.572 4.859 702 HH22 ARG 94 2HH2 ARG 94 7.462 10.469 4.543 703 H LYS 95 H LYS 95 11.698 3.611 0.577 704 HA LYS 95 HA LYS 95 12.269 5.958 -1.030 705 HB2 LYS 95 2HB LYS 95 13.943 3.532 -0.425 706 HB3 LYS 95 1HB LYS 95 14.499 4.933 -1.330 707 HG2 LYS 95 2HG LYS 95 14.030 6.320 0.705 708 HG3 LYS 95 1HG LYS 95 13.711 4.816 1.571 709 HD2 LYS 95 2HD LYS 95 16.298 5.513 0.179 710 HD3 LYS 95 1HD LYS 95 16.014 5.637 1.910 711 HE2 LYS 95 2HE LYS 95 15.843 3.088 0.298 712 HE3 LYS 95 1HE LYS 95 17.230 3.589 1.254 713 HZ1 LYS 95 3HZ LYS 95 14.511 3.016 2.352 714 HZ2 LYS 95 1HZ LYS 95 15.861 3.503 3.237 715 HZ3 LYS 95 2HZ LYS 95 15.871 2.027 2.475 716 H ARG 96 H ARG 96 10.220 4.004 -1.833 717 HA ARG 96 HA ARG 96 11.166 3.779 -4.484 718 HB2 ARG 96 2HB ARG 96 11.814 1.593 -3.472 719 HB3 ARG 96 1HB ARG 96 10.114 1.268 -3.175 720 HG2 ARG 96 2HG ARG 96 9.624 1.061 -5.456 721 HG3 ARG 96 1HG ARG 96 11.116 1.870 -5.927 722 HD2 ARG 96 2HD ARG 96 10.911 -0.856 -4.650 723 HD3 ARG 96 1HD ARG 96 11.225 -0.537 -6.356 724 HE ARG 96 HE ARG 96 13.080 0.705 -4.536 725 HH11 ARG 96 1HH1 ARG 96 12.549 -2.014 -6.724 726 HH12 ARG 96 2HH1 ARG 96 14.105 -2.669 -6.539 727 HH21 ARG 96 1HH2 ARG 96 15.265 -0.131 -4.335 728 HH22 ARG 96 2HH2 ARG 96 15.687 -1.561 -5.137 729 H LEU 97 H LEU 97 8.456 3.377 -2.272 730 HA LEU 97 HA LEU 97 6.698 3.973 -4.506 731 HB2 LEU 97 2HB LEU 97 4.915 3.691 -2.733 732 HB3 LEU 97 1HB LEU 97 5.784 2.269 -3.300 733 HG LEU 97 HG LEU 97 7.227 2.505 -1.262 734 HD11 LEU 97 1HD1 LEU 97 5.083 4.418 -0.372 735 HD12 LEU 97 2HD1 LEU 97 6.765 4.818 -0.703 736 HD13 LEU 97 3HD1 LEU 97 6.365 3.744 0.635 737 HD21 LEU 97 3HD2 LEU 97 5.434 0.925 -1.553 738 HD22 LEU 97 1HD2 LEU 97 4.334 2.100 -0.812 739 HD23 LEU 97 2HD2 LEU 97 5.710 1.444 0.118 740 H THR 98 H THR 98 8.065 5.623 -1.869 741 HA THR 98 HA THR 98 6.544 7.902 -2.920 742 HB THR 98 HB THR 98 5.885 7.468 -0.573 743 HG1 THR 98 1HG THR 98 7.147 9.818 -1.316 744 HG21 THR 98 3HG2 THR 98 7.419 7.958 1.260 745 HG22 THR 98 1HG2 THR 98 8.730 8.175 0.096 746 HG23 THR 98 2HG2 THR 98 7.967 6.595 0.278 747 H LYS 99 H LYS 99 9.271 6.621 -3.439 748 HA LYS 99 HA LYS 99 11.243 8.614 -3.144 749 HB2 LYS 99 2HB LYS 99 12.401 7.561 -5.050 750 HB3 LYS 99 1HB LYS 99 11.818 6.337 -3.930 751 HG2 LYS 99 2HG LYS 99 10.220 5.591 -5.331 752 HG3 LYS 99 1HG LYS 99 10.115 7.088 -6.275 753 HD2 LYS 99 2HD LYS 99 11.190 5.512 -7.715 754 HD3 LYS 99 1HD LYS 99 12.484 6.524 -7.088 755 HE2 LYS 99 2HE LYS 99 12.873 4.727 -5.345 756 HE3 LYS 99 1HE LYS 99 11.709 3.767 -6.272 757 HZ1 LYS 99 3HZ LYS 99 13.150 3.955 -8.206 758 HZ2 LYS 99 1HZ LYS 99 13.900 3.176 -6.896 759 HZ3 LYS 99 2HZ LYS 99 14.303 4.763 -7.247 760 H ARG 100 H ARG 100 12.096 10.006 -4.891 761 HA ARG 100 HA ARG 100 9.960 10.958 -6.691 762 HB2 ARG 100 2HB ARG 100 10.835 13.253 -6.396 763 HB3 ARG 100 1HB ARG 100 10.143 12.575 -4.935 764 HG2 ARG 100 2HG ARG 100 12.341 12.183 -4.042 765 HG3 ARG 100 1HG ARG 100 13.069 12.697 -5.565 766 HD2 ARG 100 2HD ARG 100 12.092 14.904 -5.286 767 HD3 ARG 100 1HD ARG 100 11.334 14.397 -3.780 768 HE ARG 100 HE ARG 100 13.823 13.946 -3.179 769 HH11 ARG 100 1HH1 ARG 100 12.549 16.670 -5.050 770 HH12 ARG 100 2HH1 ARG 100 13.643 17.809 -4.422 771 HH21 ARG 100 1HH2 ARG 100 15.350 15.558 -2.298 772 HH22 ARG 100 2HH2 ARG 100 15.242 17.175 -2.829 773 H SER 101 H SER 101 12.344 9.233 -6.870 774 HA SER 101 HA SER 101 14.152 10.571 -8.657 775 HB2 SER 101 2HB SER 101 13.769 7.750 -7.806 776 HB3 SER 101 1HB SER 101 15.167 8.331 -8.724 777 HG SER 101 HG SER 101 15.211 9.897 -6.755 778 H GLU 102 H GLU 102 11.362 8.600 -8.832 779 HA GLU 102 HA GLU 102 11.464 8.488 -11.789 780 HB2 GLU 102 2HB GLU 102 10.434 6.326 -9.928 781 HB3 GLU 102 1HB GLU 102 10.411 6.273 -11.688 782 HG2 GLU 102 2HG GLU 102 12.860 6.327 -11.720 783 HG3 GLU 102 1HG GLU 102 12.876 6.378 -9.962 784 H GLU 103 H GLU 103 9.403 8.363 -12.795 785 HA GLU 103 HA GLU 103 7.528 10.008 -11.336 786 HB2 GLU 103 2HB GLU 103 6.489 10.281 -13.703 787 HB3 GLU 103 1HB GLU 103 7.956 11.150 -13.282 788 HG2 GLU 103 2HG GLU 103 8.053 8.528 -14.729 789 HG3 GLU 103 1HG GLU 103 7.734 10.023 -15.599 790 H VAL 104 H VAL 104 7.024 7.457 -13.766 791 HA VAL 104 HA VAL 104 4.633 6.782 -12.272 792 HB VAL 104 HB VAL 104 3.880 7.616 -14.356 793 HG11 VAL 104 1HG1 VAL 104 4.590 6.854 -16.476 794 HG12 VAL 104 2HG1 VAL 104 5.854 5.849 -15.738 795 HG13 VAL 104 3HG1 VAL 104 5.908 7.624 -15.588 796 HG21 VAL 104 3HG2 VAL 104 3.943 4.632 -14.640 797 HG22 VAL 104 1HG2 VAL 104 2.805 5.744 -15.415 798 HG23 VAL 104 2HG2 VAL 104 2.817 5.557 -13.646 799 H VAL 105 H VAL 105 4.278 4.885 -11.524 800 HA VAL 105 HA VAL 105 6.043 2.667 -12.284 801 HB VAL 105 HB VAL 105 6.106 2.010 -9.864 802 HG11 VAL 105 1HG1 VAL 105 7.814 3.666 -9.195 803 HG12 VAL 105 2HG1 VAL 105 7.293 4.727 -10.504 804 HG13 VAL 105 3HG1 VAL 105 8.032 3.168 -10.873 805 HG21 VAL 105 3HG2 VAL 105 5.031 4.785 -9.455 806 HG22 VAL 105 1HG2 VAL 105 5.564 3.675 -8.192 807 HG23 VAL 105 2HG2 VAL 105 4.148 3.286 -9.185 808 H ARG 106 H ARG 106 5.098 0.605 -12.134 809 HA ARG 106 HA ARG 106 2.190 0.525 -11.704 810 HB2 ARG 106 2HB ARG 106 4.043 -1.611 -12.778 811 HB3 ARG 106 1HB ARG 106 2.293 -1.674 -12.746 812 HG2 ARG 106 2HG ARG 106 2.168 0.169 -14.318 813 HG3 ARG 106 1HG ARG 106 3.931 0.285 -14.333 814 HD2 ARG 106 2HD ARG 106 2.276 -2.069 -15.222 815 HD3 ARG 106 1HD ARG 106 3.153 -0.954 -16.266 816 HE ARG 106 HE ARG 106 5.085 -1.881 -14.688 817 HH11 ARG 106 1HH1 ARG 106 2.620 -3.521 -16.609 818 HH12 ARG 106 2HH1 ARG 106 3.569 -4.910 -16.896 819 HH21 ARG 106 1HH2 ARG 106 6.381 -3.857 -15.094 820 HH22 ARG 106 2HH2 ARG 106 5.678 -5.108 -16.000 821 H LEU 107 H LEU 107 1.412 -0.301 -9.765 822 HA LEU 107 HA LEU 107 3.289 -1.939 -8.208 823 HB2 LEU 107 2HB LEU 107 1.018 -0.463 -7.006 824 HB3 LEU 107 1HB LEU 107 2.554 -0.882 -6.301 825 HG LEU 107 HG LEU 107 2.210 1.301 -8.346 826 HD11 LEU 107 1HD1 LEU 107 0.931 1.816 -6.397 827 HD12 LEU 107 2HD1 LEU 107 2.362 2.844 -6.475 828 HD13 LEU 107 3HD1 LEU 107 2.309 1.478 -5.349 829 HD21 LEU 107 3HD2 LEU 107 4.373 2.008 -7.619 830 HD22 LEU 107 1HD2 LEU 107 4.458 0.327 -8.136 831 HD23 LEU 107 2HD2 LEU 107 4.425 0.740 -6.408 832 H LEU 108 H LEU 108 2.216 -3.624 -7.106 833 HA LEU 108 HA LEU 108 -0.466 -4.222 -8.090 834 HB2 LEU 108 2HB LEU 108 1.942 -5.742 -8.035 835 HB3 LEU 108 1HB LEU 108 0.606 -6.660 -7.350 836 HG LEU 108 HG LEU 108 -0.597 -6.074 -9.514 837 HD11 LEU 108 1HD1 LEU 108 2.212 -5.358 -10.381 838 HD12 LEU 108 2HD1 LEU 108 0.843 -4.253 -10.260 839 HD13 LEU 108 3HD1 LEU 108 0.831 -5.543 -11.462 840 HD21 LEU 108 3HD2 LEU 108 0.521 -7.866 -10.786 841 HD22 LEU 108 1HD2 LEU 108 0.261 -8.297 -9.097 842 HD23 LEU 108 2HD2 LEU 108 1.863 -7.808 -9.644 843 H VAL 109 H VAL 109 -1.897 -4.508 -6.701 844 HA VAL 109 HA VAL 109 -1.107 -4.831 -3.883 845 HB VAL 109 HB VAL 109 -2.901 -3.428 -3.104 846 HG11 VAL 109 1HG1 VAL 109 -1.312 -1.986 -5.208 847 HG12 VAL 109 2HG1 VAL 109 -0.790 -2.347 -3.566 848 HG13 VAL 109 3HG1 VAL 109 -2.132 -1.230 -3.838 849 HG21 VAL 109 3HG2 VAL 109 -4.550 -3.821 -4.852 850 HG22 VAL 109 1HG2 VAL 109 -3.571 -2.888 -5.981 851 HG23 VAL 109 2HG2 VAL 109 -4.310 -2.092 -4.592 852 H THR 110 H THR 110 -2.518 -5.977 -2.517 853 HA THR 110 HA THR 110 -4.274 -7.709 -4.062 854 HB THR 110 HB THR 110 -3.776 -9.463 -2.382 855 HG1 THR 110 1HG THR 110 -2.257 -9.096 -0.811 856 HG21 THR 110 3HG2 THR 110 -2.509 -9.356 -4.464 857 HG22 THR 110 1HG2 THR 110 -1.501 -9.943 -3.139 858 HG23 THR 110 2HG2 THR 110 -1.336 -8.281 -3.705 859 H ARG 111 H ARG 111 -6.314 -7.859 -3.512 860 HA ARG 111 HA ARG 111 -7.267 -6.311 -1.233 861 HB2 ARG 111 2HB ARG 111 -8.739 -7.503 -3.597 862 HB3 ARG 111 1HB ARG 111 -9.525 -6.668 -2.272 863 HG2 ARG 111 2HG ARG 111 -7.572 -5.468 -4.234 864 HG3 ARG 111 1HG ARG 111 -9.316 -5.205 -4.195 865 HD2 ARG 111 2HD ARG 111 -7.294 -4.364 -2.117 866 HD3 ARG 111 1HD ARG 111 -8.239 -3.314 -3.168 867 HE ARG 111 HE ARG 111 -10.176 -4.570 -1.870 868 HH11 ARG 111 1HH1 ARG 111 -7.326 -2.823 -0.719 869 HH12 ARG 111 2HH1 ARG 111 -7.876 -2.690 0.889 870 HH21 ARG 111 1HH2 ARG 111 -10.979 -4.295 0.285 871 HH22 ARG 111 2HH2 ARG 111 -10.036 -3.531 1.478 872 H GLN 112 H GLN 112 -7.127 -7.483 0.494 873 HA GLN 112 HA GLN 112 -7.538 -10.343 0.456 874 HB2 GLN 112 2HB GLN 112 -7.114 -8.508 2.819 875 HB3 GLN 112 1HB GLN 112 -6.926 -10.253 2.798 876 HG2 GLN 112 2HG GLN 112 -5.241 -8.302 1.246 877 HG3 GLN 112 1HG GLN 112 -4.757 -9.086 2.755 878 HE21 GLN 112 1HE2 GLN 112 -5.199 -9.414 -0.631 879 HE22 GLN 112 2HE2 GLN 112 -4.483 -10.993 -0.771 880 H SER 113 H SER 113 -9.082 -7.449 1.625 881 HA SER 113 HA SER 113 -11.119 -6.869 2.303 882 HB2 SER 113 2HB SER 113 -11.860 -9.081 0.437 883 HB3 SER 113 1HB SER 113 -12.873 -7.676 0.843 884 HG SER 113 HG SER 113 -11.838 -6.613 -0.648 885 H LEU 114 H LEU 114 -9.898 -8.980 3.920 886 HA LEU 114 HA LEU 114 -10.275 -10.533 5.502 887 HB2 LEU 114 2HB LEU 114 -12.337 -8.477 5.990 888 HB3 LEU 114 1HB LEU 114 -12.354 -9.919 6.988 889 HG LEU 114 HG LEU 114 -9.987 -8.064 6.697 890 HD11 LEU 114 1HD1 LEU 114 -12.017 -8.330 8.919 891 HD12 LEU 114 2HD1 LEU 114 -11.838 -6.949 7.832 892 HD13 LEU 114 3HD1 LEU 114 -10.557 -7.343 8.976 893 HD21 LEU 114 3HD2 LEU 114 -9.170 -9.292 8.681 894 HD22 LEU 114 1HD2 LEU 114 -9.328 -10.332 7.266 895 HD23 LEU 114 2HD2 LEU 114 -10.542 -10.384 8.539 896 H GLN 115 H GLN 115 -10.548 -12.398 4.516 897 HA GLN 115 HA GLN 115 -13.285 -13.364 4.184 898 HB2 GLN 115 2HB GLN 115 -11.823 -13.852 2.330 899 HB3 GLN 115 1HB GLN 115 -10.597 -14.504 3.392 900 HG2 GLN 115 2HG GLN 115 -11.758 -16.268 2.162 901 HG3 GLN 115 1HG GLN 115 -12.027 -16.416 3.893 902 HE21 GLN 115 1HE2 GLN 115 -13.447 -15.560 0.848 903 HE22 GLN 115 2HE2 GLN 115 -15.092 -15.697 1.350 904 H LYS 116 H LYS 116 -10.220 -14.564 5.614 905 HA LYS 116 HA LYS 116 -11.765 -15.369 7.930 906 HB2 LYS 116 2HB LYS 116 -11.531 -17.321 6.480 907 HB3 LYS 116 1HB LYS 116 -9.795 -17.094 6.432 908 HG2 LYS 116 2HG LYS 116 -9.616 -17.626 8.774 909 HG3 LYS 116 1HG LYS 116 -11.375 -17.726 8.916 910 HD2 LYS 116 2HD LYS 116 -11.425 -19.581 7.358 911 HD3 LYS 116 1HD LYS 116 -9.686 -19.455 7.113 912 HE2 LYS 116 2HE LYS 116 -9.302 -20.045 9.439 913 HE3 LYS 116 1HE LYS 116 -11.042 -20.107 9.721 914 HZ1 LYS 116 3HZ LYS 116 -11.268 -21.959 8.386 915 HZ2 LYS 116 1HZ LYS 116 -9.922 -22.293 9.307 916 HZ3 LYS 116 2HZ LYS 116 -9.762 -21.824 7.667 917 H ALA 117 H ALA 117 -10.930 -14.302 9.559 918 HA ALA 117 HA ALA 117 -8.094 -13.664 9.600 919 HB1 ALA 117 1HB ALA 117 -10.331 -12.825 11.458 920 HB2 ALA 117 2HB ALA 117 -9.689 -11.863 10.125 921 HB3 ALA 117 3HB ALA 117 -8.668 -12.244 11.512 922 H VAL 118 H VAL 118 -7.114 -13.885 11.854 923 HA VAL 118 HA VAL 118 -6.193 -15.248 13.341 924 HB VAL 118 HB VAL 118 -8.997 -16.327 13.822 925 HG11 VAL 118 1HG1 VAL 118 -8.177 -16.807 16.081 926 HG12 VAL 118 2HG1 VAL 118 -6.573 -16.246 15.605 927 HG13 VAL 118 3HG1 VAL 118 -7.263 -17.685 14.854 928 HG21 VAL 118 3HG2 VAL 118 -8.967 -13.893 13.998 929 HG22 VAL 118 1HG2 VAL 118 -7.603 -13.982 15.111 930 HG23 VAL 118 2HG2 VAL 118 -9.173 -14.633 15.585 931 H GLN 119 H GLN 119 -5.322 -16.087 11.383 932 HA GLN 119 HA GLN 119 -5.619 -18.989 11.318 933 HB2 GLN 119 2HB GLN 119 -6.871 -17.981 9.420 934 HB3 GLN 119 1HB GLN 119 -5.408 -17.165 8.907 935 HG2 GLN 119 2HG GLN 119 -4.371 -19.328 8.453 936 HG3 GLN 119 1HG GLN 119 -5.845 -20.143 8.980 937 HE21 GLN 119 1HE2 GLN 119 -4.506 -20.124 6.389 938 HE22 GLN 119 2HE2 GLN 119 -5.683 -19.560 5.241 939 H GLN 120 H GLN 120 -3.701 -19.480 12.229 940 HA GLN 120 HA GLN 120 -1.334 -17.980 11.358 941 HB2 GLN 120 2HB GLN 120 -1.879 -17.526 13.680 942 HB3 GLN 120 1HB GLN 120 -1.952 -19.243 14.015 943 HG2 GLN 120 2HG GLN 120 0.435 -19.451 13.636 944 HG3 GLN 120 1HG GLN 120 0.525 -17.745 13.207 945 HE21 GLN 120 1HE2 GLN 120 -1.315 -16.881 15.311 946 HE22 GLN 120 2HE2 GLN 120 -0.436 -17.025 16.782 947 H SER 121 H SER 121 -0.251 -19.126 9.980 948 HA SER 121 HA SER 121 1.010 -20.703 9.031 949 HB2 SER 121 2HB SER 121 1.042 -21.901 11.807 950 HB3 SER 121 1HB SER 121 2.159 -22.305 10.497 951 HG SER 121 HG SER 121 2.289 -19.805 10.529 952 H MET 122 H MET 122 -1.913 -21.048 9.177 953 HA MET 122 HA MET 122 -1.999 -23.888 8.501 954 HB2 MET 122 2HB MET 122 -3.133 -23.570 10.660 955 HB3 MET 122 1HB MET 122 -4.141 -22.313 9.965 956 HG2 MET 122 2HG MET 122 -5.165 -23.964 8.460 957 HG3 MET 122 1HG MET 122 -4.160 -25.222 9.169 958 HE1 MET 122 3HE MET 122 -4.201 -24.503 12.274 959 HE2 MET 122 1HE MET 122 -4.432 -26.132 11.636 960 HE3 MET 122 2HE MET 122 -5.573 -25.477 12.806 961 H LEU 123 H LEU 123 -3.117 -24.328 6.623 962 HA LEU 123 HA LEU 123 -3.871 -21.992 5.075 963 HB2 LEU 123 2HB LEU 123 -3.513 -24.880 4.299 964 HB3 LEU 123 1HB LEU 123 -4.110 -23.655 3.198 965 HG LEU 123 HG LEU 123 -1.380 -23.674 4.489 966 HD11 LEU 123 1HD1 LEU 123 -1.611 -25.414 2.810 967 HD12 LEU 123 2HD1 LEU 123 -0.571 -24.115 2.220 968 HD13 LEU 123 3HD1 LEU 123 -2.238 -24.237 1.657 969 HD21 LEU 123 3HD2 LEU 123 -2.112 -21.398 4.109 970 HD22 LEU 123 1HD2 LEU 123 -2.625 -21.813 2.469 971 HD23 LEU 123 2HD2 LEU 123 -0.919 -21.849 2.889 972 H SER 124 H SER 124 -5.874 -22.190 3.711 973 HA SER 124 HA SER 124 -7.977 -23.744 4.850 974 HB2 SER 124 2HB SER 124 -7.668 -21.708 6.375 975 HB3 SER 124 1HB SER 124 -8.108 -20.705 5.001 976 HG SER 124 HG SER 124 -9.887 -22.699 5.401 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 1.516 -8.989 -26.298 2 H2 GLY 1 2HT GLY 1 0.599 -10.369 -25.899 3 H3 GLY 1 3HT GLY 1 2.222 -10.310 -25.507 4 HA2 GLY 1 1HA GLY 1 1.809 -8.570 -23.930 5 HA3 GLY 1 2HA GLY 1 0.105 -8.618 -24.384 6 H SER 2 H SER 2 2.329 -9.710 -22.196 7 HA SER 2 HA SER 2 0.690 -12.042 -21.579 8 HB2 SER 2 2HB SER 2 3.605 -11.570 -20.927 9 HB3 SER 2 1HB SER 2 2.672 -13.029 -20.581 10 HG SER 2 HG SER 2 2.962 -11.987 -23.176 11 H TYR 3 H TYR 3 -0.611 -11.514 -19.943 12 HA TYR 3 HA TYR 3 0.120 -9.378 -18.180 13 HB2 TYR 3 2HB TYR 3 -2.210 -9.552 -18.942 14 HB3 TYR 3 1HB TYR 3 -2.356 -11.130 -18.174 15 HD1 TYR 3 1HD TYR 3 -2.191 -7.508 -17.633 16 HD2 TYR 3 2HD TYR 3 -2.573 -11.305 -15.764 17 HE1 TYR 3 1HE TYR 3 -2.895 -6.409 -15.548 18 HE2 TYR 3 2HE TYR 3 -3.265 -10.244 -13.695 19 HH TYR 3 HH TYR 3 -4.184 -7.000 -13.553 20 H ILE 4 H ILE 4 -0.977 -12.695 -17.602 21 HA ILE 4 HA ILE 4 -0.680 -14.163 -15.986 22 HB ILE 4 HB ILE 4 2.131 -12.991 -15.891 23 HG12 ILE 4 2HG1 ILE 4 2.754 -15.243 -16.853 24 HG13 ILE 4 1HG1 ILE 4 1.047 -15.613 -16.974 25 HG21 ILE 4 1HG2 ILE 4 1.657 -13.885 -13.678 26 HG22 ILE 4 2HG2 ILE 4 2.831 -14.898 -14.517 27 HG23 ILE 4 3HG2 ILE 4 1.153 -15.419 -14.391 28 HD11 ILE 4 3HD1 ILE 4 2.511 -13.430 -18.433 29 HD12 ILE 4 1HD1 ILE 4 0.785 -13.768 -18.567 30 HD13 ILE 4 2HD1 ILE 4 1.959 -14.964 -19.110 31 HA PRO 5 HA PRO 5 -1.881 -11.726 -12.388 32 HB2 PRO 5 2HB PRO 5 -3.937 -13.351 -11.719 33 HB3 PRO 5 1HB PRO 5 -4.090 -12.096 -12.950 34 HG2 PRO 5 2HG PRO 5 -3.940 -15.024 -13.257 35 HG3 PRO 5 1HG PRO 5 -4.621 -13.815 -14.348 36 HD2 PRO 5 2HD PRO 5 -2.105 -15.121 -14.537 37 HD3 PRO 5 1HD PRO 5 -2.726 -13.823 -15.578 38 H GLY 6 H GLY 6 -2.711 -12.802 -10.167 39 HA2 GLY 6 2HA GLY 6 -1.313 -15.216 -9.471 40 HA3 GLY 6 1HA GLY 6 -0.613 -13.752 -8.782 41 H GLN 7 H GLN 7 -3.907 -14.791 -9.388 42 HA GLN 7 HA GLN 7 -4.598 -13.922 -6.695 43 HB2 GLN 7 2HB GLN 7 -6.013 -13.091 -8.372 44 HB3 GLN 7 1HB GLN 7 -6.368 -14.705 -9.017 45 HG2 GLN 7 2HG GLN 7 -7.448 -15.208 -6.824 46 HG3 GLN 7 1HG GLN 7 -7.200 -13.534 -6.358 47 HE21 GLN 7 1HE2 GLN 7 -7.808 -12.589 -9.136 48 HE22 GLN 7 2HE2 GLN 7 -9.511 -12.755 -9.283 49 HA PRO 8 HA PRO 8 -4.659 -18.209 -5.376 50 HB2 PRO 8 2HB PRO 8 -5.473 -17.627 -2.800 51 HB3 PRO 8 1HB PRO 8 -3.788 -17.603 -3.325 52 HG2 PRO 8 2HG PRO 8 -5.671 -15.343 -2.888 53 HG3 PRO 8 1HG PRO 8 -3.920 -15.414 -2.641 54 HD2 PRO 8 2HD PRO 8 -5.134 -14.214 -4.821 55 HD3 PRO 8 1HD PRO 8 -3.472 -14.849 -4.817 56 H VAL 9 H VAL 9 -7.110 -16.279 -3.720 57 HA VAL 9 HA VAL 9 -9.387 -16.719 -5.155 58 HB VAL 9 HB VAL 9 -10.675 -18.230 -3.431 59 HG11 VAL 9 1HG1 VAL 9 -8.941 -19.492 -5.523 60 HG12 VAL 9 2HG1 VAL 9 -10.548 -18.805 -5.750 61 HG13 VAL 9 3HG1 VAL 9 -10.340 -20.249 -4.758 62 HG21 VAL 9 3HG2 VAL 9 -7.902 -19.375 -3.130 63 HG22 VAL 9 1HG2 VAL 9 -9.387 -20.130 -2.540 64 HG23 VAL 9 2HG2 VAL 9 -8.846 -18.588 -1.868 65 H THR 10 H THR 10 -8.255 -16.654 -1.800 66 HA THR 10 HA THR 10 -10.511 -15.097 -0.990 67 HB THR 10 HB THR 10 -9.558 -16.679 0.582 68 HG1 THR 10 1HG THR 10 -10.443 -15.037 1.654 69 HG21 THR 10 3HG2 THR 10 -7.028 -15.021 0.482 70 HG22 THR 10 1HG2 THR 10 -7.223 -16.665 -0.122 71 HG23 THR 10 2HG2 THR 10 -7.331 -16.345 1.607 72 H ALA 11 H ALA 11 -7.261 -14.517 -1.915 73 HA ALA 11 HA ALA 11 -7.694 -11.665 -1.464 74 HB1 ALA 11 1HB ALA 11 -5.724 -12.531 -0.345 75 HB2 ALA 11 2HB ALA 11 -5.281 -11.432 -1.663 76 HB3 ALA 11 3HB ALA 11 -5.147 -13.189 -1.881 77 H VAL 12 H VAL 12 -7.495 -10.327 -3.150 78 HA VAL 12 HA VAL 12 -7.038 -11.570 -5.757 79 HB VAL 12 HB VAL 12 -9.431 -10.935 -5.480 80 HG11 VAL 12 1HG1 VAL 12 -8.405 -8.142 -5.132 81 HG12 VAL 12 2HG1 VAL 12 -9.220 -9.129 -3.919 82 HG13 VAL 12 3HG1 VAL 12 -10.097 -8.586 -5.353 83 HG21 VAL 12 3HG2 VAL 12 -8.534 -10.869 -7.718 84 HG22 VAL 12 1HG2 VAL 12 -7.955 -9.219 -7.472 85 HG23 VAL 12 2HG2 VAL 12 -9.686 -9.551 -7.504 86 H VAL 13 H VAL 13 -5.631 -10.540 -7.066 87 HA VAL 13 HA VAL 13 -4.305 -8.224 -5.880 88 HB VAL 13 HB VAL 13 -2.907 -10.302 -6.115 89 HG11 VAL 13 1HG1 VAL 13 -2.099 -11.015 -8.291 90 HG12 VAL 13 2HG1 VAL 13 -3.247 -9.919 -9.061 91 HG13 VAL 13 3HG1 VAL 13 -3.834 -11.267 -8.085 92 HG21 VAL 13 3HG2 VAL 13 -0.954 -9.214 -7.149 93 HG22 VAL 13 1HG2 VAL 13 -1.822 -8.177 -6.013 94 HG23 VAL 13 2HG2 VAL 13 -2.023 -7.935 -7.751 95 H GLN 14 H GLN 14 -4.033 -6.456 -7.043 96 HA GLN 14 HA GLN 14 -4.968 -6.493 -9.795 97 HB2 GLN 14 2HB GLN 14 -6.354 -4.479 -9.464 98 HB3 GLN 14 1HB GLN 14 -6.917 -5.816 -8.485 99 HG2 GLN 14 2HG GLN 14 -7.088 -4.170 -6.947 100 HG3 GLN 14 1HG GLN 14 -5.419 -4.621 -6.667 101 HE21 GLN 14 1HE2 GLN 14 -3.768 -3.229 -7.339 102 HE22 GLN 14 2HE2 GLN 14 -4.086 -1.582 -7.749 103 H ARG 15 H ARG 15 -4.234 -4.698 -11.048 104 HA ARG 15 HA ARG 15 -1.646 -3.784 -10.035 105 HB2 ARG 15 2HB ARG 15 -0.805 -3.997 -12.178 106 HB3 ARG 15 1HB ARG 15 -2.022 -5.256 -12.228 107 HG2 ARG 15 2HG ARG 15 -2.483 -4.252 -14.218 108 HG3 ARG 15 1HG ARG 15 -3.485 -3.232 -13.186 109 HD2 ARG 15 2HD ARG 15 -1.484 -1.704 -12.916 110 HD3 ARG 15 1HD ARG 15 -0.710 -2.634 -14.189 111 HE ARG 15 HE ARG 15 -3.268 -1.575 -14.926 112 HH11 ARG 15 1HH1 ARG 15 0.197 -1.026 -14.872 113 HH12 ARG 15 2HH1 ARG 15 0.180 0.374 -15.855 114 HH21 ARG 15 1HH2 ARG 15 -3.363 0.298 -16.298 115 HH22 ARG 15 2HH2 ARG 15 -1.937 1.124 -16.748 116 H VAL 16 H VAL 16 -1.207 -1.690 -9.985 117 HA VAL 16 HA VAL 16 -3.230 0.188 -10.989 118 HB VAL 16 HB VAL 16 -3.187 -0.252 -8.516 119 HG11 VAL 16 1HG1 VAL 16 -1.639 0.911 -7.124 120 HG12 VAL 16 2HG1 VAL 16 -0.649 1.192 -8.571 121 HG13 VAL 16 3HG1 VAL 16 -1.038 -0.459 -8.057 122 HG21 VAL 16 3HG2 VAL 16 -4.341 1.663 -9.427 123 HG22 VAL 16 1HG2 VAL 16 -2.840 2.583 -9.402 124 HG23 VAL 16 2HG2 VAL 16 -3.587 2.070 -7.888 125 H GLU 17 H GLU 17 -2.348 2.338 -11.407 126 HA GLU 17 HA GLU 17 0.512 2.343 -11.871 127 HB2 GLU 17 2HB GLU 17 -0.496 1.480 -13.924 128 HB3 GLU 17 1HB GLU 17 -1.549 2.880 -13.996 129 HG2 GLU 17 2HG GLU 17 0.268 4.330 -14.400 130 HG3 GLU 17 1HG GLU 17 1.432 3.046 -14.067 131 H ILE 18 H ILE 18 1.023 3.890 -10.687 132 HA ILE 18 HA ILE 18 -0.630 6.304 -10.603 133 HB ILE 18 HB ILE 18 1.452 5.240 -8.705 134 HG12 ILE 18 2HG1 ILE 18 -0.288 6.204 -7.037 135 HG13 ILE 18 1HG1 ILE 18 -1.319 6.301 -8.460 136 HG21 ILE 18 1HG2 ILE 18 2.266 7.449 -9.169 137 HG22 ILE 18 2HG2 ILE 18 1.604 7.369 -7.530 138 HG23 ILE 18 3HG2 ILE 18 0.697 8.149 -8.807 139 HD11 ILE 18 3HD1 ILE 18 -0.081 3.857 -7.310 140 HD12 ILE 18 1HD1 ILE 18 -1.122 3.897 -8.752 141 HD13 ILE 18 2HD1 ILE 18 -1.750 4.365 -7.154 142 H HIS 19 H HIS 19 -0.092 8.037 -11.591 143 HA HIS 19 HA HIS 19 2.469 8.108 -12.974 144 HB2 HIS 19 2HB HIS 19 -0.024 9.752 -13.224 145 HB3 HIS 19 1HB HIS 19 1.446 10.185 -14.105 146 HD1 HIS 19 1HD HIS 19 -0.732 9.828 -15.967 147 HD2 HIS 19 2HD HIS 19 1.179 6.537 -14.356 148 HE1 HIS 19 1HE HIS 19 -1.231 7.926 -17.528 149 H LYS 20 H LYS 20 3.733 10.010 -12.883 150 HA LYS 20 HA LYS 20 4.513 10.820 -10.394 151 HB2 LYS 20 2HB LYS 20 5.678 12.699 -11.522 152 HB3 LYS 20 1HB LYS 20 5.951 11.126 -12.265 153 HG2 LYS 20 2HG LYS 20 4.387 11.659 -14.023 154 HG3 LYS 20 1HG LYS 20 3.985 13.185 -13.240 155 HD2 LYS 20 2HD LYS 20 6.286 13.934 -13.536 156 HD3 LYS 20 1HD LYS 20 6.682 12.404 -14.321 157 HE2 LYS 20 2HE LYS 20 4.624 14.376 -15.294 158 HE3 LYS 20 1HE LYS 20 6.254 14.225 -15.931 159 HZ1 LYS 20 3HZ LYS 20 4.119 12.149 -16.036 160 HZ2 LYS 20 1HZ LYS 20 5.717 11.935 -16.552 161 HZ3 LYS 20 2HZ LYS 20 4.740 13.060 -17.313 162 H LEU 21 H LEU 21 3.755 12.064 -8.870 163 HA LEU 21 HA LEU 21 2.018 14.309 -9.579 164 HB2 LEU 21 2HB LEU 21 0.812 12.668 -8.320 165 HB3 LEU 21 1HB LEU 21 2.066 12.590 -7.099 166 HG LEU 21 HG LEU 21 1.555 15.024 -6.639 167 HD11 LEU 21 1HD1 LEU 21 -0.876 14.401 -8.291 168 HD12 LEU 21 2HD1 LEU 21 0.381 15.588 -8.649 169 HD13 LEU 21 3HD1 LEU 21 -0.672 15.808 -7.252 170 HD21 LEU 21 3HD2 LEU 21 -0.564 12.949 -6.111 171 HD22 LEU 21 1HD2 LEU 21 -0.414 14.482 -5.251 172 HD23 LEU 21 2HD2 LEU 21 0.864 13.273 -5.130 173 H ARG 22 H ARG 22 2.944 16.182 -9.239 174 HA ARG 22 HA ARG 22 5.324 16.283 -7.522 175 HB2 ARG 22 2HB ARG 22 4.390 18.238 -9.622 176 HB3 ARG 22 1HB ARG 22 5.867 18.354 -8.672 177 HG2 ARG 22 2HG ARG 22 6.729 16.362 -9.685 178 HG3 ARG 22 1HG ARG 22 5.224 16.131 -10.583 179 HD2 ARG 22 2HD ARG 22 5.614 18.253 -11.726 180 HD3 ARG 22 1HD ARG 22 7.110 18.443 -10.822 181 HE ARG 22 HE ARG 22 7.850 16.356 -11.894 182 HH11 ARG 22 1HH1 ARG 22 5.282 18.204 -13.467 183 HH12 ARG 22 2HH1 ARG 22 5.803 17.852 -15.056 184 HH21 ARG 22 1HH2 ARG 22 8.491 15.764 -14.094 185 HH22 ARG 22 2HH2 ARG 22 7.655 16.430 -15.415 186 H GLN 23 H GLN 23 5.018 17.096 -5.562 187 HA GLN 23 HA GLN 23 2.958 19.167 -5.283 188 HB2 GLN 23 2HB GLN 23 3.916 17.134 -3.329 189 HB3 GLN 23 1HB GLN 23 2.727 18.376 -2.927 190 HG2 GLN 23 2HG GLN 23 1.410 17.214 -4.872 191 HG3 GLN 23 1HG GLN 23 2.508 15.876 -4.528 192 HE21 GLN 23 1HE2 GLN 23 -0.208 15.876 -4.186 193 HE22 GLN 23 2HE2 GLN 23 -0.588 15.646 -2.514 194 H GLY 24 H GLY 24 4.235 20.958 -5.301 195 HA2 GLY 24 2HA GLY 24 5.670 22.526 -4.388 196 HA3 GLY 24 1HA GLY 24 5.768 21.480 -2.989 197 H GLU 25 H GLU 25 7.603 20.636 -2.560 198 HA GLU 25 HA GLU 25 9.812 20.875 -4.461 199 HB2 GLU 25 2HB GLU 25 9.755 20.136 -1.559 200 HB3 GLU 25 1HB GLU 25 11.196 20.511 -2.495 201 HG2 GLU 25 2HG GLU 25 10.604 22.790 -2.619 202 HG3 GLU 25 1HG GLU 25 8.975 22.480 -2.013 203 H ASN 26 H ASN 26 7.553 18.678 -3.897 204 HA ASN 26 HA ASN 26 9.461 16.431 -3.678 205 HB2 ASN 26 2HB ASN 26 6.615 16.058 -2.901 206 HB3 ASN 26 1HB ASN 26 8.025 15.205 -2.322 207 HD21 ASN 26 1HD2 ASN 26 6.039 17.782 -2.084 208 HD22 ASN 26 2HD2 ASN 26 6.547 18.536 -0.640 209 H LEU 27 H LEU 27 8.819 14.592 -4.617 210 HA LEU 27 HA LEU 27 6.735 14.726 -6.649 211 HB2 LEU 27 2HB LEU 27 9.162 14.576 -7.473 212 HB3 LEU 27 1HB LEU 27 9.263 13.055 -6.650 213 HG LEU 27 HG LEU 27 9.017 12.666 -9.033 214 HD11 LEU 27 1HD1 LEU 27 8.030 10.976 -7.657 215 HD12 LEU 27 2HD1 LEU 27 7.098 11.195 -9.137 216 HD13 LEU 27 3HD1 LEU 27 6.506 11.865 -7.616 217 HD21 LEU 27 3HD2 LEU 27 7.916 14.712 -9.622 218 HD22 LEU 27 1HD2 LEU 27 6.422 14.166 -8.861 219 HD23 LEU 27 2HD2 LEU 27 7.065 13.319 -10.276 220 H ILE 28 H ILE 28 5.172 13.482 -5.875 221 HA ILE 28 HA ILE 28 5.984 11.224 -4.211 222 HB ILE 28 HB ILE 28 3.338 12.240 -3.532 223 HG12 ILE 28 2HG1 ILE 28 5.723 14.012 -2.819 224 HG13 ILE 28 1HG1 ILE 28 4.416 14.468 -3.873 225 HG21 ILE 28 1HG2 ILE 28 5.778 11.605 -1.910 226 HG22 ILE 28 2HG2 ILE 28 4.451 10.503 -2.287 227 HG23 ILE 28 3HG2 ILE 28 4.175 11.913 -1.255 228 HD11 ILE 28 3HD1 ILE 28 2.847 14.445 -2.129 229 HD12 ILE 28 1HD1 ILE 28 4.216 15.426 -1.651 230 HD13 ILE 28 2HD1 ILE 28 4.024 13.795 -0.975 231 H LEU 29 H LEU 29 4.466 9.537 -4.267 232 HA LEU 29 HA LEU 29 3.030 9.391 -6.809 233 HB2 LEU 29 2HB LEU 29 3.882 7.361 -4.752 234 HB3 LEU 29 1HB LEU 29 2.906 6.940 -6.134 235 HG LEU 29 HG LEU 29 5.096 6.300 -6.501 236 HD11 LEU 29 1HD1 LEU 29 5.738 7.534 -8.575 237 HD12 LEU 29 2HD1 LEU 29 4.508 8.734 -8.176 238 HD13 LEU 29 3HD1 LEU 29 4.048 7.057 -8.495 239 HD21 LEU 29 3HD2 LEU 29 7.038 7.904 -6.727 240 HD22 LEU 29 1HD2 LEU 29 6.451 7.627 -5.087 241 HD23 LEU 29 2HD2 LEU 29 6.017 9.107 -5.942 242 H GLY 30 H GLY 30 2.517 10.453 -4.030 243 HA2 GLY 30 2HA GLY 30 0.454 11.495 -3.415 244 HA3 GLY 30 1HA GLY 30 -0.367 10.272 -4.371 245 H PHE 31 H PHE 31 0.566 7.958 -3.190 246 HA PHE 31 HA PHE 31 -1.016 8.099 -0.785 247 HB2 PHE 31 2HB PHE 31 -1.266 5.694 -1.042 248 HB3 PHE 31 1HB PHE 31 -1.486 6.493 -2.561 249 HD1 PHE 31 1HD PHE 31 0.017 6.314 -4.360 250 HD2 PHE 31 2HD PHE 31 0.717 4.328 -0.706 251 HE1 PHE 31 1HE PHE 31 1.720 4.953 -5.467 252 HE2 PHE 31 2HE PHE 31 2.431 2.939 -1.766 253 HZ PHE 31 HZ PHE 31 2.964 3.252 -4.158 254 H SER 32 H SER 32 -0.379 6.702 1.055 255 HA SER 32 HA SER 32 2.486 6.868 1.730 256 HB2 SER 32 2HB SER 32 0.078 7.128 3.515 257 HB3 SER 32 1HB SER 32 1.751 7.153 4.030 258 HG SER 32 HG SER 32 1.765 8.949 2.278 259 H ILE 33 H ILE 33 2.976 5.291 3.574 260 HA ILE 33 HA ILE 33 1.531 2.771 3.192 261 HB ILE 33 HB ILE 33 3.475 1.501 3.041 262 HG12 ILE 33 2HG1 ILE 33 5.149 3.915 3.904 263 HG13 ILE 33 1HG1 ILE 33 4.763 2.490 4.878 264 HG21 ILE 33 1HG2 ILE 33 4.037 4.046 1.566 265 HG22 ILE 33 2HG2 ILE 33 3.021 2.709 1.023 266 HG23 ILE 33 3HG2 ILE 33 4.769 2.471 1.238 267 HD11 ILE 33 3HD1 ILE 33 6.600 2.592 2.487 268 HD12 ILE 33 1HD1 ILE 33 5.954 1.120 3.231 269 HD13 ILE 33 2HD1 ILE 33 6.951 2.194 4.180 270 H GLY 34 H GLY 34 1.948 1.255 4.914 271 HA2 GLY 34 2HA GLY 34 2.223 2.670 7.479 272 HA3 GLY 34 1HA GLY 34 1.281 1.196 7.245 273 H GLY 35 H GLY 35 3.604 0.226 5.494 274 HA2 GLY 35 2HA GLY 35 5.929 -0.284 6.236 275 HA3 GLY 35 1HA GLY 35 5.202 -0.625 7.750 276 H GLY 36 H GLY 36 6.652 -2.517 6.518 277 HA2 GLY 36 2HA GLY 36 4.596 -4.474 5.805 278 HA3 GLY 36 1HA GLY 36 6.238 -4.502 5.172 279 H ILE 37 H ILE 37 7.570 -5.913 6.105 280 HA ILE 37 HA ILE 37 6.656 -7.510 8.277 281 HB ILE 37 HB ILE 37 8.642 -8.792 8.155 282 HG12 ILE 37 2HG1 ILE 37 10.206 -6.785 8.153 283 HG13 ILE 37 1HG1 ILE 37 10.740 -8.128 7.116 284 HG21 ILE 37 1HG2 ILE 37 7.157 -9.088 6.292 285 HG22 ILE 37 2HG2 ILE 37 8.832 -9.302 5.770 286 HG23 ILE 37 3HG2 ILE 37 7.973 -7.797 5.410 287 HD11 ILE 37 3HD1 ILE 37 9.485 -5.505 6.399 288 HD12 ILE 37 1HD1 ILE 37 9.835 -6.777 5.228 289 HD13 ILE 37 2HD1 ILE 37 11.144 -5.997 6.123 290 H ASP 38 H ASP 38 8.487 -4.667 8.174 291 HA ASP 38 HA ASP 38 9.821 -4.988 10.671 292 HB2 ASP 38 2HB ASP 38 10.786 -3.561 9.021 293 HB3 ASP 38 1HB ASP 38 9.312 -2.620 8.878 294 H GLN 39 H GLN 39 6.615 -4.320 9.845 295 HA GLN 39 HA GLN 39 6.161 -2.757 12.306 296 HB2 GLN 39 2HB GLN 39 3.960 -3.383 10.367 297 HB3 GLN 39 1HB GLN 39 4.165 -1.975 11.365 298 HG2 GLN 39 2HG GLN 39 5.526 -2.568 8.842 299 HG3 GLN 39 1HG GLN 39 4.281 -1.388 9.148 300 HE21 GLN 39 1HE2 GLN 39 7.394 -2.042 8.950 301 HE22 GLN 39 2HE2 GLN 39 8.143 -0.589 9.539 302 H ASP 40 H ASP 40 4.076 -3.492 13.503 303 HA ASP 40 HA ASP 40 4.062 -6.430 13.461 304 HB2 ASP 40 2HB ASP 40 4.373 -4.854 15.753 305 HB3 ASP 40 1HB ASP 40 2.685 -5.053 15.620 306 HA PRO 41 HA PRO 41 0.199 -5.682 11.370 307 HB2 PRO 41 2HB PRO 41 -0.657 -8.351 11.611 308 HB3 PRO 41 1HB PRO 41 0.225 -7.651 10.253 309 HG2 PRO 41 2HG PRO 41 1.238 -9.264 12.533 310 HG3 PRO 41 1HG PRO 41 1.862 -9.158 10.882 311 HD2 PRO 41 2HD PRO 41 3.089 -8.012 12.933 312 HD3 PRO 41 1HD PRO 41 3.103 -7.308 11.319 313 H SER 42 H SER 42 0.537 -7.111 14.453 314 HA SER 42 HA SER 42 -2.168 -7.404 15.236 315 HB2 SER 42 2HB SER 42 0.130 -6.778 17.054 316 HB3 SER 42 1HB SER 42 -1.295 -7.776 17.373 317 HG SER 42 HG SER 42 1.058 -8.328 16.163 318 H GLN 43 H GLN 43 0.072 -4.689 15.260 319 HA GLN 43 HA GLN 43 -1.932 -3.059 16.651 320 HB2 GLN 43 2HB GLN 43 0.036 -1.583 17.249 321 HB3 GLN 43 1HB GLN 43 0.009 -3.140 18.050 322 HG2 GLN 43 2HG GLN 43 1.510 -3.460 15.736 323 HG3 GLN 43 1HG GLN 43 1.929 -1.858 16.334 324 HE21 GLN 43 1HE2 GLN 43 0.944 -4.630 18.244 325 HE22 GLN 43 2HE2 GLN 43 2.410 -4.787 19.127 326 H ASN 44 H ASN 44 -1.352 -3.755 13.851 327 HA ASN 44 HA ASN 44 -0.923 -1.076 12.748 328 HB2 ASN 44 2HB ASN 44 -0.690 -3.768 11.611 329 HB3 ASN 44 1HB ASN 44 -0.872 -2.394 10.535 330 HD21 ASN 44 1HD2 ASN 44 0.770 -0.661 12.454 331 HD22 ASN 44 2HD2 ASN 44 2.364 -1.258 12.278 332 HA PRO 45 HA PRO 45 -5.093 -0.333 11.879 333 HB2 PRO 45 2HB PRO 45 -4.833 1.295 9.705 334 HB3 PRO 45 1HB PRO 45 -4.411 1.786 11.348 335 HG2 PRO 45 2HG PRO 45 -2.607 0.775 9.193 336 HG3 PRO 45 1HG PRO 45 -2.409 2.204 10.234 337 HD2 PRO 45 2HD PRO 45 -1.167 -0.098 10.737 338 HD3 PRO 45 1HD PRO 45 -1.819 0.922 12.058 339 H PHE 46 H PHE 46 -3.178 -1.106 9.029 340 HA PHE 46 HA PHE 46 -5.573 -2.277 7.770 341 HB2 PHE 46 2HB PHE 46 -3.084 -1.170 6.523 342 HB3 PHE 46 1HB PHE 46 -4.473 -1.785 5.644 343 HD1 PHE 46 2HD PHE 46 -6.762 -0.606 6.250 344 HD2 PHE 46 1HD PHE 46 -2.920 1.010 7.011 345 HE1 PHE 46 2HE PHE 46 -7.745 1.637 6.431 346 HE2 PHE 46 1HE PHE 46 -3.889 3.247 7.200 347 HZ PHE 46 HZ PHE 46 -6.268 3.583 6.908 348 H SER 47 H SER 47 -3.400 -3.382 9.566 349 HA SER 47 HA SER 47 -2.730 -5.564 7.710 350 HB2 SER 47 2HB SER 47 -0.852 -3.962 8.663 351 HB3 SER 47 1HB SER 47 -1.050 -4.980 10.071 352 HG SER 47 HG SER 47 0.550 -5.820 8.747 353 H GLU 48 H GLU 48 -4.361 -4.633 10.433 354 HA GLU 48 HA GLU 48 -3.922 -6.796 12.135 355 HB2 GLU 48 2HB GLU 48 -5.927 -5.922 13.364 356 HB3 GLU 48 1HB GLU 48 -4.658 -4.741 13.066 357 HG2 GLU 48 2HG GLU 48 -5.923 -3.844 11.190 358 HG3 GLU 48 1HG GLU 48 -7.189 -5.037 11.465 359 H ASP 49 H ASP 49 -5.677 -6.493 9.341 360 HA ASP 49 HA ASP 49 -7.967 -8.148 9.638 361 HB2 ASP 49 2HB ASP 49 -7.628 -6.616 7.759 362 HB3 ASP 49 1HB ASP 49 -6.253 -7.553 7.222 363 H LYS 50 H LYS 50 -4.658 -8.701 9.124 364 HA LYS 50 HA LYS 50 -4.963 -11.620 9.077 365 HB2 LYS 50 2HB LYS 50 -3.259 -9.909 7.239 366 HB3 LYS 50 1HB LYS 50 -3.071 -11.645 7.397 367 HG2 LYS 50 2HG LYS 50 -5.633 -10.341 6.487 368 HG3 LYS 50 1HG LYS 50 -4.355 -10.827 5.375 369 HD2 LYS 50 2HD LYS 50 -4.568 -13.137 6.106 370 HD3 LYS 50 1HD LYS 50 -5.767 -12.655 7.306 371 HE2 LYS 50 2HE LYS 50 -6.134 -12.246 4.344 372 HE3 LYS 50 1HE LYS 50 -6.685 -13.687 5.195 373 HZ1 LYS 50 3HZ LYS 50 -8.097 -12.291 6.567 374 HZ2 LYS 50 1HZ LYS 50 -8.455 -12.056 4.943 375 HZ3 LYS 50 2HZ LYS 50 -7.575 -10.894 5.787 376 H THR 51 H THR 51 -2.434 -12.393 9.229 377 HA THR 51 HA THR 51 -1.053 -10.648 11.118 378 HB THR 51 HB THR 51 0.182 -12.787 11.666 379 HG1 THR 51 1HG THR 51 -1.308 -14.674 11.151 380 HG21 THR 51 3HG2 THR 51 -1.610 -13.644 13.142 381 HG22 THR 51 1HG2 THR 51 -2.790 -12.754 12.175 382 HG23 THR 51 2HG2 THR 51 -1.591 -11.875 13.128 383 H ASP 52 H ASP 52 -1.305 -11.105 8.091 384 HA ASP 52 HA ASP 52 1.342 -11.845 7.233 385 HB2 ASP 52 2HB ASP 52 -0.739 -12.371 5.914 386 HB3 ASP 52 1HB ASP 52 -0.918 -10.653 5.599 387 H LYS 53 H LYS 53 2.766 -10.444 6.264 388 HA LYS 53 HA LYS 53 2.661 -7.743 7.347 389 HB2 LYS 53 2HB LYS 53 4.903 -9.389 6.170 390 HB3 LYS 53 1HB LYS 53 5.069 -7.806 6.916 391 HG2 LYS 53 2HG LYS 53 4.001 -10.195 8.415 392 HG3 LYS 53 1HG LYS 53 5.706 -9.817 8.404 393 HD2 LYS 53 2HD LYS 53 4.787 -7.456 9.164 394 HD3 LYS 53 1HD LYS 53 3.437 -8.469 9.677 395 HE2 LYS 53 2HE LYS 53 6.332 -8.815 10.444 396 HE3 LYS 53 1HE LYS 53 5.044 -8.248 11.496 397 HZ1 LYS 53 3HZ LYS 53 3.996 -10.539 11.154 398 HZ2 LYS 53 1HZ LYS 53 5.483 -10.533 11.962 399 HZ3 LYS 53 2HZ LYS 53 5.415 -10.967 10.367 400 H GLY 54 H GLY 54 4.721 -6.950 5.373 401 HA2 GLY 54 2HA GLY 54 5.002 -6.532 3.064 402 HA3 GLY 54 1HA GLY 54 3.306 -6.990 2.779 403 H ILE 55 H ILE 55 4.517 -4.580 1.864 404 HA ILE 55 HA ILE 55 3.900 -2.462 3.732 405 HB ILE 55 HB ILE 55 4.810 -2.464 0.829 406 HG12 ILE 55 2HG1 ILE 55 6.372 -3.328 2.604 407 HG13 ILE 55 1HG1 ILE 55 6.981 -1.970 1.675 408 HG21 ILE 55 1HG2 ILE 55 5.277 -0.053 1.191 409 HG22 ILE 55 2HG2 ILE 55 4.470 -0.189 2.766 410 HG23 ILE 55 3HG2 ILE 55 3.547 -0.424 1.297 411 HD11 ILE 55 3HD1 ILE 55 5.638 -1.576 4.277 412 HD12 ILE 55 1HD1 ILE 55 6.720 -0.513 3.427 413 HD13 ILE 55 2HD1 ILE 55 7.358 -1.978 4.192 414 H TYR 56 H TYR 56 2.017 -1.439 3.982 415 HA TYR 56 HA TYR 56 0.047 -1.807 1.871 416 HB2 TYR 56 2HB TYR 56 -1.564 -1.469 4.017 417 HB3 TYR 56 1HB TYR 56 -1.059 -3.046 3.417 418 HD1 TYR 56 1HD TYR 56 -0.366 -0.481 6.032 419 HD2 TYR 56 2HD TYR 56 0.367 -4.387 4.608 420 HE1 TYR 56 1HE TYR 56 0.796 -1.034 8.137 421 HE2 TYR 56 2HE TYR 56 1.525 -4.963 6.636 422 HH TYR 56 HH TYR 56 1.600 -3.096 9.487 423 H VAL 57 H VAL 57 -1.376 -0.182 1.501 424 HA VAL 57 HA VAL 57 -0.352 2.459 1.875 425 HB VAL 57 HB VAL 57 -3.000 1.513 0.743 426 HG11 VAL 57 1HG1 VAL 57 -3.127 3.693 -0.325 427 HG12 VAL 57 2HG1 VAL 57 -1.653 4.187 0.502 428 HG13 VAL 57 3HG1 VAL 57 -3.112 3.848 1.431 429 HG21 VAL 57 3HG2 VAL 57 -1.940 2.016 -1.400 430 HG22 VAL 57 1HG2 VAL 57 -1.205 0.656 -0.539 431 HG23 VAL 57 2HG2 VAL 57 -0.415 2.243 -0.546 432 H THR 58 H THR 58 -0.868 3.904 3.445 433 HA THR 58 HA THR 58 -3.016 3.174 5.261 434 HB THR 58 HB THR 58 -1.778 5.014 6.612 435 HG1 THR 58 1HG THR 58 0.360 5.261 5.992 436 HG21 THR 58 3HG2 THR 58 -0.582 2.266 6.085 437 HG22 THR 58 1HG2 THR 58 -1.834 2.679 7.262 438 HG23 THR 58 2HG2 THR 58 -0.196 3.291 7.471 439 H ARG 59 H ARG 59 -1.978 5.413 2.898 440 HA ARG 59 HA ARG 59 -4.440 6.945 3.057 441 HB2 ARG 59 2HB ARG 59 -1.686 8.055 3.376 442 HB3 ARG 59 1HB ARG 59 -3.004 9.004 2.752 443 HG2 ARG 59 2HG ARG 59 -4.175 8.697 4.911 444 HG3 ARG 59 1HG ARG 59 -2.822 7.716 5.483 445 HD2 ARG 59 2HD ARG 59 -2.707 10.612 4.666 446 HD3 ARG 59 1HD ARG 59 -2.669 9.986 6.318 447 HE ARG 59 HE ARG 59 -0.576 9.236 4.393 448 HH11 ARG 59 1HH1 ARG 59 -1.522 10.865 7.381 449 HH12 ARG 59 2HH1 ARG 59 0.053 11.057 7.957 450 HH21 ARG 59 1HH2 ARG 59 1.597 9.497 5.146 451 HH22 ARG 59 2HH2 ARG 59 1.915 10.239 6.653 452 H VAL 60 H VAL 60 -4.985 7.554 0.747 453 HA VAL 60 HA VAL 60 -2.801 7.297 -0.953 454 HB VAL 60 HB VAL 60 -4.504 7.382 -2.537 455 HG11 VAL 60 1HG1 VAL 60 -4.816 5.106 -0.561 456 HG12 VAL 60 2HG1 VAL 60 -3.677 5.189 -1.906 457 HG13 VAL 60 3HG1 VAL 60 -5.405 5.037 -2.226 458 HG21 VAL 60 3HG2 VAL 60 -6.847 6.923 -2.057 459 HG22 VAL 60 1HG2 VAL 60 -6.259 8.474 -1.461 460 HG23 VAL 60 2HG2 VAL 60 -6.483 7.124 -0.323 461 H SER 61 H SER 61 -3.437 9.004 -2.786 462 HA SER 61 HA SER 61 -3.338 11.554 -1.489 463 HB2 SER 61 2HB SER 61 -2.003 10.989 -3.511 464 HB3 SER 61 1HB SER 61 -3.521 10.838 -4.406 465 HG SER 61 HG SER 61 -2.627 13.204 -3.093 466 H GLU 62 H GLU 62 -5.059 12.756 -1.096 467 HA GLU 62 HA GLU 62 -7.693 11.955 -1.159 468 HB2 GLU 62 2HB GLU 62 -8.229 14.307 -0.639 469 HB3 GLU 62 1HB GLU 62 -6.887 13.648 0.295 470 HG2 GLU 62 2HG GLU 62 -5.285 14.802 -1.098 471 HG3 GLU 62 1HG GLU 62 -6.579 15.402 -2.130 472 H GLY 63 H GLY 63 -5.975 13.203 -3.771 473 HA2 GLY 63 2HA GLY 63 -8.125 12.853 -5.579 474 HA3 GLY 63 1HA GLY 63 -7.779 14.570 -5.335 475 H GLY 64 H GLY 64 -5.700 11.764 -5.344 476 HA2 GLY 64 2HA GLY 64 -4.086 13.116 -7.403 477 HA3 GLY 64 1HA GLY 64 -3.414 12.247 -6.025 478 HA PRO 65 HA PRO 65 -3.456 9.668 -9.899 479 HB2 PRO 65 2HB PRO 65 -1.043 8.521 -9.444 480 HB3 PRO 65 1HB PRO 65 -1.184 10.033 -10.309 481 HG2 PRO 65 2HG PRO 65 -0.437 9.567 -7.470 482 HG3 PRO 65 1HG PRO 65 0.161 10.773 -8.617 483 HD2 PRO 65 2HD PRO 65 -1.622 11.305 -6.658 484 HD3 PRO 65 1HD PRO 65 -1.601 12.215 -8.200 485 H ALA 66 H ALA 66 -2.578 8.907 -6.674 486 HA ALA 66 HA ALA 66 -2.614 6.148 -6.680 487 HB1 ALA 66 1HB ALA 66 -3.015 6.260 -4.279 488 HB2 ALA 66 2HB ALA 66 -3.497 7.952 -4.436 489 HB3 ALA 66 3HB ALA 66 -1.836 7.477 -4.778 490 H GLU 67 H GLU 67 -5.325 8.190 -5.560 491 HA GLU 67 HA GLU 67 -7.041 5.937 -5.751 492 HB2 GLU 67 2HB GLU 67 -8.928 7.507 -5.330 493 HB3 GLU 67 1HB GLU 67 -7.684 7.483 -4.101 494 HG2 GLU 67 2HG GLU 67 -6.860 9.592 -4.769 495 HG3 GLU 67 1HG GLU 67 -7.802 9.596 -6.250 496 H ILE 68 H ILE 68 -6.297 8.544 -7.916 497 HA ILE 68 HA ILE 68 -8.394 8.243 -9.734 498 HB ILE 68 HB ILE 68 -5.571 9.226 -10.023 499 HG12 ILE 68 2HG1 ILE 68 -7.063 10.698 -8.813 500 HG13 ILE 68 1HG1 ILE 68 -6.639 11.426 -10.354 501 HG21 ILE 68 1HG2 ILE 68 -7.562 9.169 -12.268 502 HG22 ILE 68 2HG2 ILE 68 -6.025 8.306 -12.186 503 HG23 ILE 68 3HG2 ILE 68 -6.043 10.067 -12.275 504 HD11 ILE 68 3HD1 ILE 68 -8.830 10.742 -11.252 505 HD12 ILE 68 1HD1 ILE 68 -8.972 11.800 -9.849 506 HD13 ILE 68 2HD1 ILE 68 -9.249 10.077 -9.672 507 H ALA 69 H ALA 69 -5.341 6.509 -9.492 508 HA ALA 69 HA ALA 69 -5.889 4.983 -11.860 509 HB1 ALA 69 1HB ALA 69 -3.607 5.519 -11.223 510 HB2 ALA 69 2HB ALA 69 -3.859 3.775 -11.313 511 HB3 ALA 69 3HB ALA 69 -3.802 4.581 -9.744 512 H GLY 70 H GLY 70 -6.100 4.452 -8.379 513 HA2 GLY 70 2HA GLY 70 -8.166 3.023 -7.947 514 HA3 GLY 70 1HA GLY 70 -7.341 1.847 -8.965 515 H LEU 71 H LEU 71 -5.319 3.700 -6.914 516 HA LEU 71 HA LEU 71 -4.840 1.370 -5.297 517 HB2 LEU 71 2HB LEU 71 -2.954 2.727 -6.134 518 HB3 LEU 71 1HB LEU 71 -3.568 4.114 -5.275 519 HG LEU 71 HG LEU 71 -2.697 3.397 -3.225 520 HD11 LEU 71 1HD1 LEU 71 -3.778 1.113 -3.207 521 HD12 LEU 71 2HD1 LEU 71 -2.038 0.904 -2.939 522 HD13 LEU 71 3HD1 LEU 71 -2.729 0.615 -4.519 523 HD21 LEU 71 3HD2 LEU 71 -0.988 2.058 -5.275 524 HD22 LEU 71 1HD2 LEU 71 -0.505 2.555 -3.659 525 HD23 LEU 71 2HD2 LEU 71 -0.964 3.773 -4.854 526 H GLN 72 H GLN 72 -5.598 1.000 -3.326 527 HA GLN 72 HA GLN 72 -7.275 3.113 -2.228 528 HB2 GLN 72 2HB GLN 72 -7.634 0.126 -2.095 529 HB3 GLN 72 1HB GLN 72 -8.681 1.335 -1.355 530 HG2 GLN 72 2HG GLN 72 -8.174 1.111 -4.303 531 HG3 GLN 72 1HG GLN 72 -9.543 0.376 -3.469 532 HE21 GLN 72 1HE2 GLN 72 -8.040 3.341 -4.396 533 HE22 GLN 72 2HE2 GLN 72 -9.407 4.362 -4.198 534 H ILE 73 H ILE 73 -7.347 3.307 -0.107 535 HA ILE 73 HA ILE 73 -5.045 2.771 1.455 536 HB ILE 73 HB ILE 73 -7.824 3.656 2.294 537 HG12 ILE 73 2HG1 ILE 73 -5.318 5.245 1.741 538 HG13 ILE 73 1HG1 ILE 73 -6.781 5.227 0.758 539 HG21 ILE 73 1HG2 ILE 73 -5.250 3.750 3.829 540 HG22 ILE 73 2HG2 ILE 73 -6.628 2.704 4.160 541 HG23 ILE 73 3HG2 ILE 73 -6.781 4.451 4.343 542 HD11 ILE 73 3HD1 ILE 73 -6.606 7.240 2.135 543 HD12 ILE 73 1HD1 ILE 73 -6.549 6.231 3.579 544 HD13 ILE 73 2HD1 ILE 73 -8.014 6.269 2.591 545 H GLY 74 H GLY 74 -4.607 1.030 2.714 546 HA2 GLY 74 2HA GLY 74 -5.212 -0.696 4.185 547 HA3 GLY 74 1HA GLY 74 -6.813 -0.736 3.472 548 H ASP 75 H ASP 75 -4.537 -0.579 1.039 549 HA ASP 75 HA ASP 75 -4.777 -3.463 0.662 550 HB2 ASP 75 2HB ASP 75 -4.698 -1.179 -1.252 551 HB3 ASP 75 1HB ASP 75 -4.286 -2.796 -1.802 552 H LYS 76 H LYS 76 -3.272 -4.744 0.579 553 HA LYS 76 HA LYS 76 -0.655 -3.820 1.340 554 HB2 LYS 76 2HB LYS 76 -1.686 -6.620 0.836 555 HB3 LYS 76 1HB LYS 76 -0.056 -6.204 1.334 556 HG2 LYS 76 2HG LYS 76 -0.859 -5.334 3.426 557 HG3 LYS 76 1HG LYS 76 -2.527 -5.639 2.934 558 HD2 LYS 76 2HD LYS 76 -2.131 -8.017 2.859 559 HD3 LYS 76 1HD LYS 76 -0.413 -7.779 3.124 560 HE2 LYS 76 2HE LYS 76 -2.517 -6.977 5.130 561 HE3 LYS 76 1HE LYS 76 -1.710 -8.545 5.140 562 HZ1 LYS 76 3HZ LYS 76 -0.368 -5.900 5.431 563 HZ2 LYS 76 1HZ LYS 76 0.394 -7.394 5.315 564 HZ3 LYS 76 2HZ LYS 76 -0.560 -7.075 6.648 565 H ILE 77 H ILE 77 0.840 -3.309 0.011 566 HA ILE 77 HA ILE 77 0.592 -3.764 -2.795 567 HB ILE 77 HB ILE 77 2.706 -2.369 -1.165 568 HG12 ILE 77 2HG1 ILE 77 0.506 -1.012 -2.653 569 HG13 ILE 77 1HG1 ILE 77 0.195 -1.650 -1.039 570 HG21 ILE 77 1HG2 ILE 77 3.360 -2.996 -3.461 571 HG22 ILE 77 2HG2 ILE 77 3.182 -1.248 -3.290 572 HG23 ILE 77 3HG2 ILE 77 1.919 -2.192 -4.084 573 HD11 ILE 77 3HD1 ILE 77 2.321 0.299 -1.794 574 HD12 ILE 77 1HD1 ILE 77 1.980 -0.381 -0.188 575 HD13 ILE 77 2HD1 ILE 77 0.764 0.638 -0.979 576 H MET 78 H MET 78 1.521 -5.383 -3.711 577 HA MET 78 HA MET 78 3.595 -6.821 -2.272 578 HB2 MET 78 2HB MET 78 1.541 -7.865 -4.213 579 HB3 MET 78 1HB MET 78 2.868 -8.834 -3.586 580 HG2 MET 78 2HG MET 78 0.718 -7.512 -1.940 581 HG3 MET 78 1HG MET 78 0.805 -9.228 -2.333 582 HE1 MET 78 3HE MET 78 0.565 -9.503 0.514 583 HE2 MET 78 1HE MET 78 0.617 -7.730 0.482 584 HE3 MET 78 2HE MET 78 1.708 -8.596 1.545 585 H GLN 79 H GLN 79 3.098 -4.798 -4.838 586 HA GLN 79 HA GLN 79 5.650 -5.497 -5.993 587 HB2 GLN 79 2HB GLN 79 3.429 -6.652 -7.118 588 HB3 GLN 79 1HB GLN 79 3.587 -5.157 -8.049 589 HG2 GLN 79 2HG GLN 79 5.765 -7.201 -7.703 590 HG3 GLN 79 1HG GLN 79 4.671 -7.120 -9.076 591 HE21 GLN 79 1HE2 GLN 79 4.702 -4.234 -9.274 592 HE22 GLN 79 2HE2 GLN 79 6.278 -3.876 -9.872 593 H VAL 80 H VAL 80 6.635 -3.644 -6.649 594 HA VAL 80 HA VAL 80 5.006 -1.304 -7.298 595 HB VAL 80 HB VAL 80 7.312 -1.348 -5.305 596 HG11 VAL 80 1HG1 VAL 80 7.213 1.099 -5.240 597 HG12 VAL 80 2HG1 VAL 80 6.065 1.095 -6.576 598 HG13 VAL 80 3HG1 VAL 80 7.712 0.522 -6.830 599 HG21 VAL 80 3HG2 VAL 80 4.431 -0.513 -5.141 600 HG22 VAL 80 1HG2 VAL 80 5.649 -0.100 -3.918 601 HG23 VAL 80 2HG2 VAL 80 5.271 -1.776 -4.280 602 H ASN 81 H ASN 81 5.558 -0.690 -9.221 603 HA ASN 81 HA ASN 81 6.620 0.119 -10.917 604 HB2 ASN 81 2HB ASN 81 8.273 1.061 -9.243 605 HB3 ASN 81 1HB ASN 81 9.293 -0.334 -9.590 606 HD21 ASN 81 1HD2 ASN 81 7.232 1.427 -11.833 607 HD22 ASN 81 2HD2 ASN 81 8.487 1.913 -12.860 608 H GLY 82 H GLY 82 7.702 -2.755 -9.637 609 HA2 GLY 82 2HA GLY 82 7.633 -4.717 -11.316 610 HA3 GLY 82 1HA GLY 82 8.830 -3.725 -12.175 611 H TRP 83 H TRP 83 8.931 -3.423 -8.856 612 HA TRP 83 HA TRP 83 11.519 -4.784 -8.746 613 HB2 TRP 83 2HB TRP 83 12.181 -2.947 -7.563 614 HB3 TRP 83 1HB TRP 83 10.565 -2.367 -8.002 615 HD1 TRP 83 HD TRP 83 8.623 -2.599 -6.106 616 HE1 TRP 83 1HE TRP 83 8.783 -2.522 -3.521 617 HE3 TRP 83 3HE TRP 83 13.629 -3.480 -5.519 618 HZ2 TRP 83 2HZ TRP 83 10.686 -2.769 -1.565 619 HZ3 TRP 83 3HZ TRP 83 14.543 -3.531 -3.227 620 HH2 TRP 83 HH TRP 83 13.073 -3.181 -1.270 621 H ASP 84 H ASP 84 8.320 -5.443 -7.643 622 HA ASP 84 HA ASP 84 7.319 -6.818 -6.226 623 HB2 ASP 84 2HB ASP 84 9.079 -8.451 -7.097 624 HB3 ASP 84 1HB ASP 84 9.996 -8.000 -5.647 625 H MET 85 H MET 85 6.477 -5.977 -4.449 626 HA MET 85 HA MET 85 8.318 -4.962 -2.379 627 HB2 MET 85 2HB MET 85 7.118 -3.088 -3.481 628 HB3 MET 85 1HB MET 85 5.595 -3.872 -3.166 629 HG2 MET 85 2HG MET 85 5.600 -3.381 -0.917 630 HG3 MET 85 1HG MET 85 7.337 -3.172 -0.858 631 HE1 MET 85 3HE MET 85 8.597 -1.063 -1.465 632 HE2 MET 85 1HE MET 85 7.885 0.418 -2.110 633 HE3 MET 85 2HE MET 85 7.989 -1.010 -3.123 634 H THR 86 H THR 86 6.619 -7.495 -2.904 635 HA THR 86 HA THR 86 4.739 -7.752 -0.863 636 HB THR 86 HB THR 86 4.731 -9.330 -2.628 637 HG1 THR 86 1HG THR 86 4.511 -10.041 -0.188 638 HG21 THR 86 3HG2 THR 86 7.454 -10.149 -1.680 639 HG22 THR 86 1HG2 THR 86 7.033 -9.370 -3.200 640 HG23 THR 86 2HG2 THR 86 6.510 -11.025 -2.892 641 H MET 87 H MET 87 8.202 -7.950 -0.515 642 HA MET 87 HA MET 87 7.792 -8.185 2.339 643 HB2 MET 87 2HB MET 87 8.208 -10.498 1.620 644 HB3 MET 87 1HB MET 87 9.687 -9.990 0.813 645 HG2 MET 87 2HG MET 87 10.643 -9.351 2.970 646 HG3 MET 87 1HG MET 87 9.160 -9.862 3.771 647 HE1 MET 87 3HE MET 87 8.371 -12.373 4.013 648 HE2 MET 87 1HE MET 87 9.200 -13.738 3.266 649 HE3 MET 87 2HE MET 87 8.378 -12.553 2.256 650 H VAL 88 H VAL 88 8.455 -6.098 2.671 651 HA VAL 88 HA VAL 88 11.270 -5.608 2.512 652 HB VAL 88 HB VAL 88 10.496 -4.920 0.253 653 HG11 VAL 88 1HG1 VAL 88 8.203 -4.370 0.629 654 HG12 VAL 88 2HG1 VAL 88 9.027 -2.904 0.073 655 HG13 VAL 88 3HG1 VAL 88 8.649 -3.123 1.773 656 HG21 VAL 88 3HG2 VAL 88 11.340 -2.576 0.319 657 HG22 VAL 88 1HG2 VAL 88 12.356 -3.724 1.199 658 HG23 VAL 88 2HG2 VAL 88 11.258 -2.661 2.075 659 H THR 89 H THR 89 11.846 -3.847 3.850 660 HA THR 89 HA THR 89 10.053 -3.454 6.028 661 HB THR 89 HB THR 89 11.859 -1.870 6.830 662 HG1 THR 89 1HG THR 89 13.549 -2.989 4.950 663 HG21 THR 89 3HG2 THR 89 13.380 -3.645 7.469 664 HG22 THR 89 1HG2 THR 89 12.795 -4.655 6.137 665 HG23 THR 89 2HG2 THR 89 11.723 -4.257 7.469 666 H HIS 90 H HIS 90 9.289 -1.459 6.740 667 HA HIS 90 HA HIS 90 8.029 0.248 4.975 668 HB2 HIS 90 2HB HIS 90 7.558 0.102 7.393 669 HB3 HIS 90 1HB HIS 90 9.074 0.858 7.770 670 HD1 HIS 90 1HD HIS 90 5.605 1.649 7.583 671 HD2 HIS 90 2HD HIS 90 9.066 3.638 6.421 672 HE1 HIS 90 1HE HIS 90 4.921 3.960 7.140 673 H ASP 91 H ASP 91 11.148 0.467 6.460 674 HA ASP 91 HA ASP 91 11.948 3.047 5.700 675 HB2 ASP 91 2HB ASP 91 12.943 1.530 7.455 676 HB3 ASP 91 1HB ASP 91 13.661 0.644 6.115 677 H GLN 92 H GLN 92 12.545 -0.109 4.225 678 HA GLN 92 HA GLN 92 14.084 1.047 2.099 679 HB2 GLN 92 2HB GLN 92 13.433 -1.661 2.979 680 HB3 GLN 92 1HB GLN 92 13.490 -1.487 1.238 681 HG2 GLN 92 2HG GLN 92 15.644 -2.177 2.121 682 HG3 GLN 92 1HG GLN 92 15.736 -0.611 1.339 683 HE21 GLN 92 1HE2 GLN 92 14.527 -1.221 4.618 684 HE22 GLN 92 2HE2 GLN 92 15.789 -0.369 5.407 685 H ALA 93 H ALA 93 10.792 0.099 2.529 686 HA ALA 93 HA ALA 93 10.072 0.070 -0.201 687 HB1 ALA 93 1HB ALA 93 8.814 -1.048 1.549 688 HB2 ALA 93 2HB ALA 93 7.807 0.052 0.604 689 HB3 ALA 93 3HB ALA 93 8.351 0.513 2.217 690 H ARG 94 H ARG 94 9.971 2.468 2.386 691 HA ARG 94 HA ARG 94 8.449 4.440 1.206 692 HB2 ARG 94 2HB ARG 94 10.634 4.397 3.213 693 HB3 ARG 94 1HB ARG 94 10.125 5.977 2.639 694 HG2 ARG 94 2HG ARG 94 8.281 3.924 3.806 695 HG3 ARG 94 1HG ARG 94 9.086 5.180 4.753 696 HD2 ARG 94 2HD ARG 94 7.349 5.698 2.376 697 HD3 ARG 94 1HD ARG 94 6.756 5.766 4.055 698 HE ARG 94 HE ARG 94 9.072 7.383 3.544 699 HH11 ARG 94 1HH1 ARG 94 5.526 7.422 3.471 700 HH12 ARG 94 2HH1 ARG 94 5.391 9.094 3.385 701 HH21 ARG 94 1HH2 ARG 94 8.931 9.649 3.567 702 HH22 ARG 94 2HH2 ARG 94 7.454 10.476 3.516 703 H LYS 95 H LYS 95 11.749 3.756 0.804 704 HA LYS 95 HA LYS 95 12.030 5.966 -1.038 705 HB2 LYS 95 2HB LYS 95 14.520 5.324 -1.027 706 HB3 LYS 95 1HB LYS 95 13.862 6.103 0.399 707 HG2 LYS 95 2HG LYS 95 13.768 3.998 1.554 708 HG3 LYS 95 1HG LYS 95 14.286 3.146 0.095 709 HD2 LYS 95 2HD LYS 95 16.432 4.061 0.183 710 HD3 LYS 95 1HD LYS 95 15.939 5.334 1.301 711 HE2 LYS 95 2HE LYS 95 15.967 2.400 1.979 712 HE3 LYS 95 1HE LYS 95 17.277 3.516 2.367 713 HZ1 LYS 95 3HZ LYS 95 15.745 3.251 4.249 714 HZ2 LYS 95 1HZ LYS 95 14.467 3.763 3.298 715 HZ3 LYS 95 2HZ LYS 95 15.688 4.835 3.664 716 H ARG 96 H ARG 96 10.448 4.220 -1.832 717 HA ARG 96 HA ARG 96 11.645 3.629 -4.353 718 HB2 ARG 96 2HB ARG 96 12.124 1.478 -3.366 719 HB3 ARG 96 1HB ARG 96 10.499 1.358 -2.710 720 HG2 ARG 96 2HG ARG 96 10.884 -0.116 -4.686 721 HG3 ARG 96 1HG ARG 96 9.566 1.029 -4.906 722 HD2 ARG 96 2HD ARG 96 10.966 0.832 -6.926 723 HD3 ARG 96 1HD ARG 96 11.004 2.463 -6.260 724 HE ARG 96 HE ARG 96 13.126 0.822 -5.306 725 HH11 ARG 96 1HH1 ARG 96 12.161 2.819 -8.143 726 HH12 ARG 96 2HH1 ARG 96 13.761 3.203 -8.523 727 HH21 ARG 96 1HH2 ARG 96 15.270 1.350 -5.910 728 HH22 ARG 96 2HH2 ARG 96 15.585 2.343 -7.255 729 H LEU 97 H LEU 97 8.769 3.234 -2.344 730 HA LEU 97 HA LEU 97 7.267 3.597 -4.805 731 HB2 LEU 97 2HB LEU 97 5.511 2.536 -3.867 732 HB3 LEU 97 1HB LEU 97 6.852 1.875 -2.958 733 HG LEU 97 HG LEU 97 4.946 3.974 -1.978 734 HD11 LEU 97 1HD1 LEU 97 4.137 2.216 -0.615 735 HD12 LEU 97 2HD1 LEU 97 5.374 1.132 -1.275 736 HD13 LEU 97 3HD1 LEU 97 4.074 1.731 -2.323 737 HD21 LEU 97 3HD2 LEU 97 7.099 2.475 -0.486 738 HD22 LEU 97 1HD2 LEU 97 5.994 3.675 0.185 739 HD23 LEU 97 2HD2 LEU 97 7.220 4.158 -0.988 740 H THR 98 H THR 98 8.101 5.427 -2.044 741 HA THR 98 HA THR 98 6.412 7.574 -3.190 742 HB THR 98 HB THR 98 5.500 6.888 -1.002 743 HG1 THR 98 1HG THR 98 6.695 9.403 -1.238 744 HG21 THR 98 3HG2 THR 98 8.164 7.751 0.097 745 HG22 THR 98 1HG2 THR 98 7.528 6.109 0.065 746 HG23 THR 98 2HG2 THR 98 6.746 7.346 1.058 747 H LYS 99 H LYS 99 9.397 6.636 -3.368 748 HA LYS 99 HA LYS 99 10.824 9.021 -2.652 749 HB2 LYS 99 2HB LYS 99 12.722 8.131 -3.838 750 HB3 LYS 99 1HB LYS 99 11.954 6.818 -2.976 751 HG2 LYS 99 2HG LYS 99 11.210 5.783 -4.900 752 HG3 LYS 99 1HG LYS 99 11.265 7.277 -5.838 753 HD2 LYS 99 2HD LYS 99 13.084 5.749 -6.510 754 HD3 LYS 99 1HD LYS 99 13.702 7.236 -5.798 755 HE2 LYS 99 2HE LYS 99 13.950 6.017 -3.646 756 HE3 LYS 99 1HE LYS 99 13.480 4.553 -4.485 757 HZ1 LYS 99 3HZ LYS 99 15.430 4.745 -5.895 758 HZ2 LYS 99 1HZ LYS 99 15.872 4.765 -4.278 759 HZ3 LYS 99 2HZ LYS 99 15.872 6.191 -5.155 760 H ARG 100 H ARG 100 12.160 10.134 -4.559 761 HA ARG 100 HA ARG 100 10.022 11.183 -6.275 762 HB2 ARG 100 2HB ARG 100 11.398 13.288 -6.339 763 HB3 ARG 100 1HB ARG 100 10.655 12.885 -4.797 764 HG2 ARG 100 2HG ARG 100 12.748 12.093 -3.950 765 HG3 ARG 100 1HG ARG 100 13.500 12.305 -5.526 766 HD2 ARG 100 2HD ARG 100 13.215 14.691 -5.388 767 HD3 ARG 100 1HD ARG 100 12.261 14.542 -3.928 768 HE ARG 100 HE ARG 100 15.003 13.594 -3.927 769 HH11 ARG 100 1HH1 ARG 100 12.613 15.999 -2.899 770 HH12 ARG 100 2HH1 ARG 100 13.544 16.678 -1.665 771 HH21 ARG 100 1HH2 ARG 100 16.363 14.538 -2.197 772 HH22 ARG 100 2HH2 ARG 100 15.759 15.807 -1.247 773 H SER 101 H SER 101 12.651 9.322 -6.504 774 HA SER 101 HA SER 101 13.793 10.303 -8.943 775 HB2 SER 101 2HB SER 101 14.926 8.882 -7.227 776 HB3 SER 101 1HB SER 101 13.895 7.564 -7.721 777 HG SER 101 HG SER 101 15.497 8.884 -9.624 778 H GLU 102 H GLU 102 11.151 8.427 -8.045 779 HA GLU 102 HA GLU 102 10.753 7.072 -10.608 780 HB2 GLU 102 2HB GLU 102 9.019 7.190 -8.143 781 HB3 GLU 102 1HB GLU 102 8.802 6.111 -9.512 782 HG2 GLU 102 2HG GLU 102 11.189 6.116 -7.685 783 HG3 GLU 102 1HG GLU 102 9.812 5.031 -7.533 784 H GLU 103 H GLU 103 8.898 7.312 -11.786 785 HA GLU 103 HA GLU 103 7.514 9.819 -11.361 786 HB2 GLU 103 2HB GLU 103 7.084 9.805 -13.915 787 HB3 GLU 103 1HB GLU 103 8.651 10.325 -13.332 788 HG2 GLU 103 2HG GLU 103 8.237 7.489 -14.242 789 HG3 GLU 103 1HG GLU 103 8.496 8.783 -15.400 790 H VAL 104 H VAL 104 6.801 7.089 -13.511 791 HA VAL 104 HA VAL 104 4.317 6.826 -12.120 792 HB VAL 104 HB VAL 104 3.720 7.438 -14.315 793 HG11 VAL 104 1HG1 VAL 104 5.850 5.663 -15.425 794 HG12 VAL 104 2HG1 VAL 104 5.879 7.437 -15.260 795 HG13 VAL 104 3HG1 VAL 104 4.669 6.671 -16.292 796 HG21 VAL 104 3HG2 VAL 104 2.807 5.478 -15.397 797 HG22 VAL 104 1HG2 VAL 104 2.611 5.367 -13.646 798 HG23 VAL 104 2HG2 VAL 104 3.876 4.438 -14.448 799 H VAL 105 H VAL 105 3.773 4.931 -11.344 800 HA VAL 105 HA VAL 105 5.769 2.795 -11.552 801 HB VAL 105 HB VAL 105 5.340 2.323 -9.096 802 HG11 VAL 105 1HG1 VAL 105 7.411 3.368 -9.861 803 HG12 VAL 105 2HG1 VAL 105 6.902 4.061 -8.322 804 HG13 VAL 105 3HG1 VAL 105 6.639 4.952 -9.823 805 HG21 VAL 105 3HG2 VAL 105 3.296 3.610 -8.843 806 HG22 VAL 105 1HG2 VAL 105 4.160 5.096 -9.232 807 HG23 VAL 105 2HG2 VAL 105 4.535 4.229 -7.742 808 H ARG 106 H ARG 106 5.065 0.811 -11.771 809 HA ARG 106 HA ARG 106 2.216 0.202 -11.957 810 HB2 ARG 106 2HB ARG 106 4.701 -1.464 -12.349 811 HB3 ARG 106 1HB ARG 106 3.083 -2.029 -12.677 812 HG2 ARG 106 2HG ARG 106 2.823 -0.367 -14.453 813 HG3 ARG 106 1HG ARG 106 4.430 0.267 -14.102 814 HD2 ARG 106 2HD ARG 106 3.809 -2.536 -15.044 815 HD3 ARG 106 1HD ARG 106 4.430 -1.231 -16.052 816 HE ARG 106 HE ARG 106 6.231 -1.437 -14.001 817 HH11 ARG 106 1HH1 ARG 106 5.045 -3.728 -16.439 818 HH12 ARG 106 2HH1 ARG 106 6.477 -4.625 -16.478 819 HH21 ARG 106 1HH2 ARG 106 8.167 -2.640 -14.059 820 HH22 ARG 106 2HH2 ARG 106 8.304 -3.997 -15.092 821 H LEU 107 H LEU 107 1.201 -0.301 -9.867 822 HA LEU 107 HA LEU 107 2.976 -1.757 -8.040 823 HB2 LEU 107 2HB LEU 107 0.599 -0.214 -7.118 824 HB3 LEU 107 1HB LEU 107 2.066 -0.627 -6.284 825 HG LEU 107 HG LEU 107 2.029 1.391 -8.498 826 HD11 LEU 107 1HD1 LEU 107 1.748 1.807 -5.546 827 HD12 LEU 107 2HD1 LEU 107 0.497 2.025 -6.772 828 HD13 LEU 107 3HD1 LEU 107 1.925 3.069 -6.775 829 HD21 LEU 107 3HD2 LEU 107 4.172 0.419 -7.895 830 HD22 LEU 107 1HD2 LEU 107 3.898 0.903 -6.218 831 HD23 LEU 107 2HD2 LEU 107 4.051 2.130 -7.466 832 H LEU 108 H LEU 108 1.995 -3.421 -6.951 833 HA LEU 108 HA LEU 108 -0.657 -4.134 -7.907 834 HB2 LEU 108 2HB LEU 108 1.785 -5.711 -7.743 835 HB3 LEU 108 1HB LEU 108 0.352 -6.519 -7.191 836 HG LEU 108 HG LEU 108 -0.663 -5.863 -9.394 837 HD11 LEU 108 1HD1 LEU 108 2.244 -5.358 -10.104 838 HD12 LEU 108 2HD1 LEU 108 0.966 -4.147 -10.035 839 HD13 LEU 108 3HD1 LEU 108 0.910 -5.411 -11.260 840 HD21 LEU 108 3HD2 LEU 108 0.390 -7.729 -10.619 841 HD22 LEU 108 1HD2 LEU 108 -0.002 -8.138 -8.947 842 HD23 LEU 108 2HD2 LEU 108 1.666 -7.769 -9.403 843 H VAL 109 H VAL 109 -2.020 -4.482 -6.493 844 HA VAL 109 HA VAL 109 -1.066 -4.864 -3.736 845 HB VAL 109 HB VAL 109 -2.860 -3.675 -2.758 846 HG11 VAL 109 1HG1 VAL 109 -2.413 -1.393 -3.389 847 HG12 VAL 109 2HG1 VAL 109 -1.544 -1.971 -4.821 848 HG13 VAL 109 3HG1 VAL 109 -0.963 -2.374 -3.194 849 HG21 VAL 109 3HG2 VAL 109 -4.660 -4.057 -4.286 850 HG22 VAL 109 1HG2 VAL 109 -3.893 -3.041 -5.512 851 HG23 VAL 109 2HG2 VAL 109 -4.488 -2.331 -4.003 852 H THR 110 H THR 110 -2.237 -6.146 -2.402 853 HA THR 110 HA THR 110 -4.194 -7.864 -3.752 854 HB THR 110 HB THR 110 -3.592 -9.570 -2.081 855 HG1 THR 110 1HG THR 110 -2.493 -7.673 -0.798 856 HG21 THR 110 3HG2 THR 110 -1.471 -10.219 -3.051 857 HG22 THR 110 1HG2 THR 110 -1.270 -8.585 -3.710 858 HG23 THR 110 2HG2 THR 110 -2.600 -9.602 -4.270 859 H ARG 111 H ARG 111 -6.081 -7.926 -2.961 860 HA ARG 111 HA ARG 111 -6.624 -6.089 -0.791 861 HB2 ARG 111 2HB ARG 111 -8.627 -7.509 -2.520 862 HB3 ARG 111 1HB ARG 111 -8.890 -6.054 -1.553 863 HG2 ARG 111 2HG ARG 111 -6.938 -5.177 -3.170 864 HG3 ARG 111 1HG ARG 111 -7.669 -6.374 -4.237 865 HD2 ARG 111 2HD ARG 111 -8.771 -4.332 -4.677 866 HD3 ARG 111 1HD ARG 111 -9.884 -5.282 -3.681 867 HE ARG 111 HE ARG 111 -8.111 -3.569 -2.210 868 HH11 ARG 111 1HH1 ARG 111 -11.316 -3.802 -3.711 869 HH12 ARG 111 2HH1 ARG 111 -11.947 -2.451 -2.885 870 HH21 ARG 111 1HH2 ARG 111 -8.885 -1.763 -1.189 871 HH22 ARG 111 2HH2 ARG 111 -10.519 -1.227 -1.351 872 H GLN 112 H GLN 112 -6.830 -6.826 1.140 873 HA GLN 112 HA GLN 112 -7.146 -9.708 1.556 874 HB2 GLN 112 2HB GLN 112 -6.340 -7.572 3.519 875 HB3 GLN 112 1HB GLN 112 -6.260 -9.305 3.769 876 HG2 GLN 112 2HG GLN 112 -4.695 -7.771 1.728 877 HG3 GLN 112 1HG GLN 112 -4.070 -8.304 3.298 878 HE21 GLN 112 1HE2 GLN 112 -4.796 -9.151 0.045 879 HE22 GLN 112 2HE2 GLN 112 -4.205 -10.769 0.109 880 H SER 113 H SER 113 -8.480 -6.598 2.663 881 HA SER 113 HA SER 113 -10.457 -7.958 4.262 882 HB2 SER 113 2HB SER 113 -10.034 -5.019 3.730 883 HB3 SER 113 1HB SER 113 -11.130 -5.698 4.938 884 HG SER 113 HG SER 113 -9.236 -6.756 5.819 885 H LEU 114 H LEU 114 -10.367 -8.017 1.315 886 HA LEU 114 HA LEU 114 -12.824 -6.717 0.513 887 HB2 LEU 114 2HB LEU 114 -11.008 -6.967 -1.118 888 HB3 LEU 114 1HB LEU 114 -11.158 -8.709 -1.020 889 HG LEU 114 HG LEU 114 -13.512 -8.476 -1.854 890 HD11 LEU 114 1HD1 LEU 114 -12.668 -5.645 -2.406 891 HD12 LEU 114 2HD1 LEU 114 -13.921 -6.173 -1.278 892 HD13 LEU 114 3HD1 LEU 114 -14.131 -6.420 -3.010 893 HD21 LEU 114 3HD2 LEU 114 -11.332 -7.465 -3.660 894 HD22 LEU 114 1HD2 LEU 114 -12.875 -8.141 -4.181 895 HD23 LEU 114 2HD2 LEU 114 -11.713 -9.156 -3.324 896 H GLN 115 H GLN 115 -11.778 -10.024 1.302 897 HA GLN 115 HA GLN 115 -14.499 -10.794 1.659 898 HB2 GLN 115 2HB GLN 115 -14.389 -12.695 0.091 899 HB3 GLN 115 1HB GLN 115 -14.230 -11.148 -0.731 900 HG2 GLN 115 2HG GLN 115 -11.735 -11.518 -0.612 901 HG3 GLN 115 1HG GLN 115 -12.113 -13.177 -0.174 902 HE21 GLN 115 1HE2 GLN 115 -10.759 -12.160 -2.438 903 HE22 GLN 115 2HE2 GLN 115 -11.584 -12.701 -3.855 904 H LYS 116 H LYS 116 -14.298 -13.432 2.098 905 HA LYS 116 HA LYS 116 -12.768 -13.272 4.534 906 HB2 LYS 116 2HB LYS 116 -14.745 -15.376 3.684 907 HB3 LYS 116 1HB LYS 116 -14.093 -15.140 5.295 908 HG2 LYS 116 2HG LYS 116 -15.826 -13.166 3.806 909 HG3 LYS 116 1HG LYS 116 -16.352 -14.247 5.092 910 HD2 LYS 116 2HD LYS 116 -14.210 -12.137 5.439 911 HD3 LYS 116 1HD LYS 116 -15.911 -11.878 5.784 912 HE2 LYS 116 2HE LYS 116 -14.235 -14.022 7.084 913 HE3 LYS 116 1HE LYS 116 -14.557 -12.436 7.781 914 HZ1 LYS 116 3HZ LYS 116 -16.899 -12.933 7.806 915 HZ2 LYS 116 1HZ LYS 116 -16.044 -14.108 8.638 916 HZ3 LYS 116 2HZ LYS 116 -16.656 -14.452 7.109 917 H ALA 117 H ALA 117 -11.308 -14.633 5.252 918 HA ALA 117 HA ALA 117 -9.801 -16.228 3.366 919 HB1 ALA 117 1HB ALA 117 -8.618 -14.698 4.829 920 HB2 ALA 117 2HB ALA 117 -8.211 -16.358 5.290 921 HB3 ALA 117 3HB ALA 117 -9.364 -15.439 6.239 922 H VAL 118 H VAL 118 -8.803 -18.310 4.615 923 HA VAL 118 HA VAL 118 -9.074 -20.385 5.296 924 HB VAL 118 HB VAL 118 -11.438 -19.379 6.947 925 HG11 VAL 118 1HG1 VAL 118 -11.570 -21.794 6.625 926 HG12 VAL 118 2HG1 VAL 118 -11.115 -21.421 8.291 927 HG13 VAL 118 3HG1 VAL 118 -9.893 -21.963 7.146 928 HG21 VAL 118 3HG2 VAL 118 -9.327 -18.315 7.529 929 HG22 VAL 118 1HG2 VAL 118 -8.574 -19.895 7.741 930 HG23 VAL 118 2HG2 VAL 118 -9.876 -19.387 8.824 931 H GLN 119 H GLN 119 -9.423 -21.027 3.334 932 HA GLN 119 HA GLN 119 -12.220 -21.413 2.539 933 HB2 GLN 119 2HB GLN 119 -9.779 -21.156 0.791 934 HB3 GLN 119 1HB GLN 119 -11.375 -21.578 0.196 935 HG2 GLN 119 2HG GLN 119 -10.644 -19.008 1.596 936 HG3 GLN 119 1HG GLN 119 -10.882 -19.206 -0.139 937 HE21 GLN 119 1HE2 GLN 119 -12.304 -17.469 1.770 938 HE22 GLN 119 2HE2 GLN 119 -13.952 -17.909 1.640 939 H GLN 120 H GLN 120 -9.265 -23.210 3.198 940 HA GLN 120 HA GLN 120 -10.742 -25.603 2.439 941 HB2 GLN 120 2HB GLN 120 -8.666 -26.571 1.559 942 HB3 GLN 120 1HB GLN 120 -9.246 -25.183 0.638 943 HG2 GLN 120 2HG GLN 120 -7.561 -23.775 1.639 944 HG3 GLN 120 1HG GLN 120 -7.027 -25.095 2.672 945 HE21 GLN 120 1HE2 GLN 120 -7.038 -23.797 -0.543 946 HE22 GLN 120 2HE2 GLN 120 -5.808 -24.835 -1.171 947 H SER 121 H SER 121 -10.672 -27.262 3.858 948 HA SER 121 HA SER 121 -8.845 -27.083 6.111 949 HB2 SER 121 2HB SER 121 -11.079 -29.078 5.561 950 HB3 SER 121 1HB SER 121 -10.221 -28.857 7.084 951 HG SER 121 HG SER 121 -11.200 -26.517 6.289 952 H MET 122 H MET 122 -6.933 -27.967 5.703 953 HA MET 122 HA MET 122 -6.432 -29.501 3.390 954 HB2 MET 122 2HB MET 122 -4.628 -28.942 5.738 955 HB3 MET 122 1HB MET 122 -4.104 -29.702 4.241 956 HG2 MET 122 2HG MET 122 -4.762 -27.681 3.006 957 HG3 MET 122 1HG MET 122 -5.226 -26.920 4.526 958 HE1 MET 122 3HE MET 122 -3.228 -25.599 2.446 959 HE2 MET 122 1HE MET 122 -1.972 -24.991 3.525 960 HE3 MET 122 2HE MET 122 -3.671 -24.841 3.976 961 H LEU 123 H LEU 123 -5.941 -30.550 6.777 962 HA LEU 123 HA LEU 123 -6.245 -33.303 5.789 963 HB2 LEU 123 2HB LEU 123 -4.887 -32.340 8.324 964 HB3 LEU 123 1HB LEU 123 -5.158 -34.018 7.944 965 HG LEU 123 HG LEU 123 -2.898 -33.607 7.529 966 HD11 LEU 123 1HD1 LEU 123 -4.249 -33.545 4.863 967 HD12 LEU 123 2HD1 LEU 123 -3.907 -34.968 5.840 968 HD13 LEU 123 3HD1 LEU 123 -2.577 -34.017 5.173 969 HD21 LEU 123 3HD2 LEU 123 -2.872 -31.189 7.490 970 HD22 LEU 123 1HD2 LEU 123 -3.678 -31.179 5.919 971 HD23 LEU 123 2HD2 LEU 123 -2.041 -31.816 6.067 972 H SER 124 H SER 124 -6.773 -31.627 8.873 973 HA SER 124 HA SER 124 -9.238 -33.117 9.182 974 HB2 SER 124 2HB SER 124 -7.722 -31.366 11.140 975 HB3 SER 124 1HB SER 124 -9.106 -32.390 11.523 976 HG SER 124 HG SER 124 -7.784 -33.974 11.745 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -7.182 -5.540 -20.745 2 H2 GLY 1 2HT GLY 1 -8.518 -5.742 -19.722 3 H3 GLY 1 3HT GLY 1 -8.277 -6.795 -21.037 4 HA2 GLY 1 1HA GLY 1 -6.537 -6.510 -18.671 5 HA3 GLY 1 2HA GLY 1 -7.646 -7.842 -18.995 6 H SER 2 H SER 2 -6.320 -9.509 -19.317 7 HA SER 2 HA SER 2 -5.000 -10.961 -20.417 8 HB2 SER 2 2HB SER 2 -5.027 -8.914 -22.653 9 HB3 SER 2 1HB SER 2 -4.603 -10.622 -22.809 10 HG SER 2 HG SER 2 -6.718 -10.535 -23.351 11 H TYR 3 H TYR 3 -3.926 -8.933 -18.704 12 HA TYR 3 HA TYR 3 -1.308 -8.314 -19.815 13 HB2 TYR 3 2HB TYR 3 -1.041 -7.012 -17.669 14 HB3 TYR 3 1HB TYR 3 -2.287 -6.438 -18.769 15 HD1 TYR 3 1HD TYR 3 -1.911 -8.665 -15.720 16 HD2 TYR 3 2HD TYR 3 -4.372 -5.928 -17.885 17 HE1 TYR 3 1HE TYR 3 -3.508 -8.683 -13.914 18 HE2 TYR 3 2HE TYR 3 -6.001 -5.964 -16.039 19 HH TYR 3 HH TYR 3 -6.638 -7.493 -14.207 20 H ILE 4 H ILE 4 -2.749 -10.707 -17.996 21 HA ILE 4 HA ILE 4 -2.085 -12.409 -16.774 22 HB ILE 4 HB ILE 4 0.744 -11.623 -17.581 23 HG12 ILE 4 2HG1 ILE 4 -1.081 -13.851 -18.531 24 HG13 ILE 4 1HG1 ILE 4 -0.750 -12.362 -19.401 25 HG21 ILE 4 1HG2 ILE 4 -0.180 -14.136 -16.167 26 HG22 ILE 4 2HG2 ILE 4 0.799 -12.857 -15.457 27 HG23 ILE 4 3HG2 ILE 4 1.452 -13.838 -16.772 28 HD11 ILE 4 3HD1 ILE 4 1.571 -13.013 -19.660 29 HD12 ILE 4 1HD1 ILE 4 0.500 -14.258 -20.295 30 HD13 ILE 4 2HD1 ILE 4 1.282 -14.484 -18.727 31 HA PRO 5 HA PRO 5 -1.773 -9.869 -13.109 32 HB2 PRO 5 2HB PRO 5 -3.400 -11.415 -11.608 33 HB3 PRO 5 1HB PRO 5 -4.029 -10.263 -12.788 34 HG2 PRO 5 2HG PRO 5 -3.720 -13.212 -12.986 35 HG3 PRO 5 1HG PRO 5 -5.011 -12.163 -13.613 36 HD2 PRO 5 2HD PRO 5 -2.981 -13.209 -15.122 37 HD3 PRO 5 1HD PRO 5 -3.875 -11.726 -15.520 38 H GLY 6 H GLY 6 -1.309 -10.374 -10.831 39 HA2 GLY 6 2HA GLY 6 0.468 -12.708 -10.579 40 HA3 GLY 6 1HA GLY 6 0.792 -11.150 -9.820 41 H GLN 7 H GLN 7 -2.052 -13.237 -10.087 42 HA GLN 7 HA GLN 7 -2.787 -12.654 -7.376 43 HB2 GLN 7 2HB GLN 7 -4.588 -12.921 -8.949 44 HB3 GLN 7 1HB GLN 7 -3.999 -14.504 -9.452 45 HG2 GLN 7 2HG GLN 7 -4.580 -15.415 -7.267 46 HG3 GLN 7 1HG GLN 7 -5.090 -13.820 -6.724 47 HE21 GLN 7 1HE2 GLN 7 -6.567 -16.373 -6.950 48 HE22 GLN 7 2HE2 GLN 7 -7.930 -16.000 -7.921 49 HA PRO 8 HA PRO 8 -0.388 -15.982 -5.798 50 HB2 PRO 8 2HB PRO 8 -1.354 -15.972 -3.251 51 HB3 PRO 8 1HB PRO 8 -0.161 -14.806 -3.827 52 HG2 PRO 8 2HG PRO 8 -3.086 -14.449 -3.371 53 HG3 PRO 8 1HG PRO 8 -1.766 -13.287 -3.187 54 HD2 PRO 8 2HD PRO 8 -3.496 -13.381 -5.344 55 HD3 PRO 8 1HD PRO 8 -1.889 -12.635 -5.323 56 H VAL 9 H VAL 9 -3.442 -16.092 -4.090 57 HA VAL 9 HA VAL 9 -4.504 -18.266 -5.606 58 HB VAL 9 HB VAL 9 -4.930 -19.738 -3.523 59 HG11 VAL 9 1HG1 VAL 9 -3.367 -20.437 -5.235 60 HG12 VAL 9 2HG1 VAL 9 -2.816 -20.925 -3.631 61 HG13 VAL 9 3HG1 VAL 9 -2.076 -19.539 -4.437 62 HG21 VAL 9 3HG2 VAL 9 -4.297 -18.164 -1.776 63 HG22 VAL 9 1HG2 VAL 9 -2.641 -18.128 -2.383 64 HG23 VAL 9 2HG2 VAL 9 -3.292 -19.611 -1.686 65 H THR 10 H THR 10 -4.804 -16.477 -2.566 66 HA THR 10 HA THR 10 -7.687 -16.693 -2.773 67 HB THR 10 HB THR 10 -6.717 -17.488 -0.739 68 HG1 THR 10 1HG THR 10 -8.090 -16.584 0.558 69 HG21 THR 10 3HG2 THR 10 -4.662 -16.241 -0.671 70 HG22 THR 10 1HG2 THR 10 -5.523 -15.955 0.844 71 HG23 THR 10 2HG2 THR 10 -5.507 -14.733 -0.449 72 H ALA 11 H ALA 11 -5.203 -14.167 -2.440 73 HA ALA 11 HA ALA 11 -7.161 -12.115 -2.140 74 HB1 ALA 11 1HB ALA 11 -5.407 -10.561 -2.244 75 HB2 ALA 11 2HB ALA 11 -4.268 -11.785 -2.815 76 HB3 ALA 11 3HB ALA 11 -4.920 -11.879 -1.164 77 H VAL 12 H VAL 12 -7.912 -10.691 -3.508 78 HA VAL 12 HA VAL 12 -7.617 -11.281 -6.313 79 HB VAL 12 HB VAL 12 -9.298 -9.150 -4.930 80 HG11 VAL 12 1HG1 VAL 12 -9.392 -10.140 -7.776 81 HG12 VAL 12 2HG1 VAL 12 -8.836 -8.557 -7.234 82 HG13 VAL 12 3HG1 VAL 12 -10.533 -9.006 -7.051 83 HG21 VAL 12 3HG2 VAL 12 -10.035 -11.379 -4.282 84 HG22 VAL 12 1HG2 VAL 12 -10.124 -11.862 -5.976 85 HG23 VAL 12 2HG2 VAL 12 -11.218 -10.630 -5.352 86 H VAL 13 H VAL 13 -6.052 -10.324 -7.385 87 HA VAL 13 HA VAL 13 -4.840 -7.950 -6.193 88 HB VAL 13 HB VAL 13 -3.481 -10.069 -6.497 89 HG11 VAL 13 1HG1 VAL 13 -4.268 -10.787 -8.626 90 HG12 VAL 13 2HG1 VAL 13 -2.521 -10.530 -8.685 91 HG13 VAL 13 3HG1 VAL 13 -3.611 -9.344 -9.395 92 HG21 VAL 13 3HG2 VAL 13 -1.453 -8.889 -7.213 93 HG22 VAL 13 1HG2 VAL 13 -2.438 -7.967 -6.078 94 HG23 VAL 13 2HG2 VAL 13 -2.458 -7.549 -7.795 95 H GLN 14 H GLN 14 -4.427 -6.177 -7.442 96 HA GLN 14 HA GLN 14 -5.267 -6.188 -10.203 97 HB2 GLN 14 2HB GLN 14 -6.762 -4.260 -9.894 98 HB3 GLN 14 1HB GLN 14 -7.318 -5.645 -8.972 99 HG2 GLN 14 2HG GLN 14 -7.536 -4.153 -7.269 100 HG3 GLN 14 1HG GLN 14 -5.796 -4.326 -7.144 101 HE21 GLN 14 1HE2 GLN 14 -4.492 -2.759 -7.906 102 HE22 GLN 14 2HE2 GLN 14 -5.075 -1.171 -8.240 103 H ARG 15 H ARG 15 -4.392 -4.396 -11.359 104 HA ARG 15 HA ARG 15 -1.946 -3.548 -10.069 105 HB2 ARG 15 2HB ARG 15 -1.030 -3.139 -12.286 106 HB3 ARG 15 1HB ARG 15 -1.747 -4.734 -12.236 107 HG2 ARG 15 2HG ARG 15 -2.444 -4.000 -14.305 108 HG3 ARG 15 1HG ARG 15 -3.807 -3.487 -13.314 109 HD2 ARG 15 2HD ARG 15 -2.725 -1.242 -13.113 110 HD3 ARG 15 1HD ARG 15 -1.504 -1.785 -14.259 111 HE ARG 15 HE ARG 15 -4.221 -2.064 -15.133 112 HH11 ARG 15 1HH1 ARG 15 -1.248 -0.113 -15.376 113 HH12 ARG 15 2HH1 ARG 15 -1.910 0.966 -16.516 114 HH21 ARG 15 1HH2 ARG 15 -5.079 -0.571 -16.727 115 HH22 ARG 15 2HH2 ARG 15 -4.117 0.710 -17.293 116 H VAL 16 H VAL 16 -1.286 -1.449 -9.991 117 HA VAL 16 HA VAL 16 -3.318 0.642 -10.524 118 HB VAL 16 HB VAL 16 -1.112 1.111 -8.556 119 HG11 VAL 16 1HG1 VAL 16 -2.541 2.674 -7.589 120 HG12 VAL 16 2HG1 VAL 16 -3.907 2.103 -8.547 121 HG13 VAL 16 3HG1 VAL 16 -2.535 2.882 -9.337 122 HG21 VAL 16 3HG2 VAL 16 -2.334 0.306 -6.661 123 HG22 VAL 16 1HG2 VAL 16 -2.109 -1.036 -7.777 124 HG23 VAL 16 2HG2 VAL 16 -3.678 -0.206 -7.664 125 H GLU 17 H GLU 17 -2.347 2.651 -11.279 126 HA GLU 17 HA GLU 17 0.459 2.514 -11.938 127 HB2 GLU 17 2HB GLU 17 -0.628 1.691 -13.939 128 HB3 GLU 17 1HB GLU 17 -1.721 3.071 -13.943 129 HG2 GLU 17 2HG GLU 17 0.148 4.561 -14.261 130 HG3 GLU 17 1HG GLU 17 1.250 3.191 -14.249 131 H ILE 18 H ILE 18 1.159 4.100 -10.874 132 HA ILE 18 HA ILE 18 -0.395 6.574 -10.715 133 HB ILE 18 HB ILE 18 1.898 5.568 -9.026 134 HG12 ILE 18 2HG1 ILE 18 0.349 6.506 -7.161 135 HG13 ILE 18 1HG1 ILE 18 -0.855 6.581 -8.435 136 HG21 ILE 18 1HG2 ILE 18 2.579 7.781 -9.619 137 HG22 ILE 18 2HG2 ILE 18 2.053 7.752 -7.933 138 HG23 ILE 18 3HG2 ILE 18 1.004 8.430 -9.172 139 HD11 ILE 18 3HD1 ILE 18 -0.858 4.225 -8.668 140 HD12 ILE 18 1HD1 ILE 18 -1.006 4.624 -6.954 141 HD13 ILE 18 2HD1 ILE 18 0.539 4.073 -7.585 142 H HIS 19 H HIS 19 0.134 8.305 -11.734 143 HA HIS 19 HA HIS 19 2.679 8.389 -13.148 144 HB2 HIS 19 2HB HIS 19 0.097 9.898 -13.523 145 HB3 HIS 19 1HB HIS 19 1.582 10.305 -14.385 146 HD1 HIS 19 1HD HIS 19 -0.462 9.695 -16.327 147 HD2 HIS 19 2HD HIS 19 1.484 6.608 -14.348 148 HE1 HIS 19 1HE HIS 19 -0.686 7.674 -17.807 149 H LYS 20 H LYS 20 4.187 9.672 -12.450 150 HA LYS 20 HA LYS 20 4.848 10.972 -10.323 151 HB2 LYS 20 2HB LYS 20 5.909 12.799 -11.764 152 HB3 LYS 20 1HB LYS 20 6.302 11.136 -12.137 153 HG2 LYS 20 2HG LYS 20 4.542 11.244 -13.931 154 HG3 LYS 20 1HG LYS 20 4.380 12.961 -13.576 155 HD2 LYS 20 2HD LYS 20 6.687 13.340 -14.185 156 HD3 LYS 20 1HD LYS 20 6.942 11.609 -14.407 157 HE2 LYS 20 2HE LYS 20 5.151 11.678 -16.164 158 HE3 LYS 20 1HE LYS 20 5.198 13.436 -16.052 159 HZ1 LYS 20 3HZ LYS 20 7.473 11.673 -16.712 160 HZ2 LYS 20 1HZ LYS 20 7.553 13.356 -16.661 161 HZ3 LYS 20 2HZ LYS 20 6.630 12.592 -17.852 162 H LEU 21 H LEU 21 3.574 11.954 -8.840 163 HA LEU 21 HA LEU 21 1.978 14.261 -9.683 164 HB2 LEU 21 2HB LEU 21 0.744 12.655 -8.450 165 HB3 LEU 21 1HB LEU 21 1.988 12.578 -7.208 166 HG LEU 21 HG LEU 21 1.440 14.973 -6.671 167 HD11 LEU 21 1HD1 LEU 21 0.426 15.623 -8.759 168 HD12 LEU 21 2HD1 LEU 21 -0.700 15.874 -7.425 169 HD13 LEU 21 3HD1 LEU 21 -0.898 14.487 -8.497 170 HD21 LEU 21 3HD2 LEU 21 -0.873 13.074 -6.392 171 HD22 LEU 21 1HD2 LEU 21 -0.533 14.473 -5.385 172 HD23 LEU 21 2HD2 LEU 21 0.557 13.084 -5.353 173 H ARG 22 H ARG 22 2.706 16.212 -9.235 174 HA ARG 22 HA ARG 22 5.102 16.473 -7.579 175 HB2 ARG 22 2HB ARG 22 3.750 18.554 -9.330 176 HB3 ARG 22 1HB ARG 22 5.268 18.735 -8.464 177 HG2 ARG 22 2HG ARG 22 5.782 18.399 -10.784 178 HG3 ARG 22 1HG ARG 22 6.232 16.935 -9.921 179 HD2 ARG 22 2HD ARG 22 5.140 16.380 -12.032 180 HD3 ARG 22 1HD ARG 22 4.139 15.867 -10.676 181 HE ARG 22 HE ARG 22 3.490 18.475 -11.622 182 HH11 ARG 22 1HH1 ARG 22 2.770 14.993 -12.157 183 HH12 ARG 22 2HH1 ARG 22 1.390 15.282 -13.052 184 HH21 ARG 22 1HH2 ARG 22 1.515 18.833 -12.852 185 HH22 ARG 22 2HH2 ARG 22 0.656 17.512 -13.472 186 H GLN 23 H GLN 23 4.845 16.970 -5.490 187 HA GLN 23 HA GLN 23 2.619 18.761 -4.823 188 HB2 GLN 23 2HB GLN 23 3.656 16.478 -3.166 189 HB3 GLN 23 1HB GLN 23 2.451 17.639 -2.619 190 HG2 GLN 23 2HG GLN 23 1.108 16.728 -4.682 191 HG3 GLN 23 1HG GLN 23 2.275 15.401 -4.537 192 HE21 GLN 23 1HE2 GLN 23 2.416 15.698 -1.592 193 HE22 GLN 23 2HE2 GLN 23 0.982 14.963 -1.004 194 H GLY 24 H GLY 24 3.624 20.614 -4.439 195 HA2 GLY 24 2HA GLY 24 4.794 22.135 -3.155 196 HA3 GLY 24 1HA GLY 24 5.182 20.814 -2.084 197 H GLU 25 H GLU 25 7.114 19.861 -2.209 198 HA GLU 25 HA GLU 25 9.098 21.141 -4.002 199 HB2 GLU 25 2HB GLU 25 9.482 19.896 -1.309 200 HB3 GLU 25 1HB GLU 25 10.719 20.734 -2.240 201 HG2 GLU 25 2HG GLU 25 9.535 22.818 -1.908 202 HG3 GLU 25 1HG GLU 25 8.242 21.966 -1.056 203 H ASN 26 H ASN 26 7.398 18.440 -3.849 204 HA ASN 26 HA ASN 26 9.679 16.667 -4.379 205 HB2 ASN 26 2HB ASN 26 7.654 15.240 -2.898 206 HB3 ASN 26 1HB ASN 26 9.384 15.334 -2.618 207 HD21 ASN 26 1HD2 ASN 26 6.303 16.818 -1.978 208 HD22 ASN 26 2HD2 ASN 26 6.732 17.662 -0.557 209 H LEU 27 H LEU 27 9.080 14.759 -5.386 210 HA LEU 27 HA LEU 27 6.550 14.858 -6.823 211 HB2 LEU 27 2HB LEU 27 8.728 14.704 -8.062 212 HB3 LEU 27 1HB LEU 27 8.981 13.161 -7.270 213 HG LEU 27 HG LEU 27 6.798 12.416 -8.245 214 HD11 LEU 27 1HD1 LEU 27 5.923 13.568 -10.101 215 HD12 LEU 27 2HD1 LEU 27 7.213 14.771 -10.051 216 HD13 LEU 27 3HD1 LEU 27 6.017 14.685 -8.754 217 HD21 LEU 27 3HD2 LEU 27 7.808 11.900 -10.386 218 HD22 LEU 27 1HD2 LEU 27 8.908 11.672 -9.021 219 HD23 LEU 27 2HD2 LEU 27 9.073 13.107 -10.055 220 H ILE 28 H ILE 28 5.083 13.400 -6.181 221 HA ILE 28 HA ILE 28 6.072 11.121 -4.659 222 HB ILE 28 HB ILE 28 3.432 12.197 -3.802 223 HG12 ILE 28 2HG1 ILE 28 6.024 13.691 -3.204 224 HG13 ILE 28 1HG1 ILE 28 4.551 14.278 -3.917 225 HG21 ILE 28 1HG2 ILE 28 4.250 11.505 -1.585 226 HG22 ILE 28 2HG2 ILE 28 5.811 11.100 -2.299 227 HG23 ILE 28 3HG2 ILE 28 4.368 10.205 -2.774 228 HD11 ILE 28 3HD1 ILE 28 3.368 14.093 -1.881 229 HD12 ILE 28 1HD1 ILE 28 4.840 15.034 -1.642 230 HD13 ILE 28 2HD1 ILE 28 4.764 13.355 -1.082 231 H LEU 29 H LEU 29 4.307 9.422 -4.467 232 HA LEU 29 HA LEU 29 2.877 9.192 -6.983 233 HB2 LEU 29 2HB LEU 29 3.119 7.255 -4.690 234 HB3 LEU 29 1HB LEU 29 2.423 6.875 -6.237 235 HG LEU 29 HG LEU 29 5.295 7.321 -5.525 236 HD11 LEU 29 1HD1 LEU 29 4.547 5.155 -5.070 237 HD12 LEU 29 2HD1 LEU 29 5.531 5.070 -6.539 238 HD13 LEU 29 3HD1 LEU 29 3.766 5.030 -6.638 239 HD21 LEU 29 3HD2 LEU 29 4.187 7.030 -8.322 240 HD22 LEU 29 1HD2 LEU 29 5.893 7.026 -7.884 241 HD23 LEU 29 2HD2 LEU 29 4.934 8.487 -7.657 242 H GLY 30 H GLY 30 2.265 10.561 -4.067 243 HA2 GLY 30 2HA GLY 30 0.260 11.576 -3.581 244 HA3 GLY 30 1HA GLY 30 -0.558 10.329 -4.516 245 H PHE 31 H PHE 31 0.716 8.093 -3.198 246 HA PHE 31 HA PHE 31 -0.850 8.254 -0.760 247 HB2 PHE 31 2HB PHE 31 -1.090 5.856 -0.925 248 HB3 PHE 31 1HB PHE 31 -1.421 6.589 -2.468 249 HD1 PHE 31 2HD PHE 31 0.054 6.359 -4.307 250 HD2 PHE 31 1HD PHE 31 0.799 4.448 -0.628 251 HE1 PHE 31 2HE PHE 31 1.672 4.909 -5.416 252 HE2 PHE 31 1HE PHE 31 2.413 2.956 -1.696 253 HZ PHE 31 HZ PHE 31 2.883 3.183 -4.111 254 H SER 32 H SER 32 -0.125 6.843 1.045 255 HA SER 32 HA SER 32 2.767 6.932 1.566 256 HB2 SER 32 2HB SER 32 0.501 7.560 3.426 257 HB3 SER 32 1HB SER 32 2.209 7.540 3.829 258 HG SER 32 HG SER 32 2.378 9.146 2.022 259 H ILE 33 H ILE 33 3.177 5.454 3.633 260 HA ILE 33 HA ILE 33 1.577 3.003 3.271 261 HB ILE 33 HB ILE 33 3.461 1.648 3.169 262 HG12 ILE 33 2HG1 ILE 33 5.151 4.061 3.964 263 HG13 ILE 33 1HG1 ILE 33 4.825 2.595 4.896 264 HG21 ILE 33 1HG2 ILE 33 4.020 4.116 1.543 265 HG22 ILE 33 2HG2 ILE 33 3.019 2.740 1.071 266 HG23 ILE 33 3HG2 ILE 33 4.760 2.556 1.282 267 HD11 ILE 33 3HD1 ILE 33 7.018 2.459 4.072 268 HD12 ILE 33 1HD1 ILE 33 6.487 2.779 2.410 269 HD13 ILE 33 2HD1 ILE 33 5.998 1.292 3.214 270 H GLY 34 H GLY 34 2.031 1.418 4.983 271 HA2 GLY 34 2HA GLY 34 2.337 2.844 7.544 272 HA3 GLY 34 1HA GLY 34 1.303 1.429 7.321 273 H GLY 35 H GLY 35 3.457 0.356 5.535 274 HA2 GLY 35 2HA GLY 35 5.793 -0.360 6.159 275 HA3 GLY 35 1HA GLY 35 5.117 -0.598 7.731 276 H GLY 36 H GLY 36 6.361 -2.592 6.535 277 HA2 GLY 36 2HA GLY 36 4.101 -4.294 5.777 278 HA3 GLY 36 1HA GLY 36 5.696 -4.433 5.057 279 H ILE 37 H ILE 37 7.151 -5.654 5.967 280 HA ILE 37 HA ILE 37 6.185 -7.535 7.910 281 HB ILE 37 HB ILE 37 8.107 -8.839 7.499 282 HG12 ILE 37 2HG1 ILE 37 9.748 -6.898 7.725 283 HG13 ILE 37 1HG1 ILE 37 10.207 -8.073 6.469 284 HG21 ILE 37 1HG2 ILE 37 8.202 -9.022 5.052 285 HG22 ILE 37 2HG2 ILE 37 7.367 -7.473 4.922 286 HG23 ILE 37 3HG2 ILE 37 6.552 -8.852 5.659 287 HD11 ILE 37 3HD1 ILE 37 9.262 -6.367 4.900 288 HD12 ILE 37 1HD1 ILE 37 10.659 -5.842 5.846 289 HD13 ILE 37 2HD1 ILE 37 9.058 -5.329 6.317 290 H ASP 38 H ASP 38 8.173 -4.667 7.912 291 HA ASP 38 HA ASP 38 9.643 -5.342 10.201 292 HB2 ASP 38 2HB ASP 38 10.784 -3.342 9.451 293 HB3 ASP 38 1HB ASP 38 10.155 -4.368 8.126 294 H GLN 39 H GLN 39 6.660 -4.504 9.682 295 HA GLN 39 HA GLN 39 6.284 -2.886 12.144 296 HB2 GLN 39 2HB GLN 39 4.068 -3.658 10.266 297 HB3 GLN 39 1HB GLN 39 4.178 -2.240 11.266 298 HG2 GLN 39 2HG GLN 39 5.758 -2.720 8.842 299 HG3 GLN 39 1HG GLN 39 4.370 -1.647 9.034 300 HE21 GLN 39 1HE2 GLN 39 7.267 -1.437 8.467 301 HE22 GLN 39 2HE2 GLN 39 7.906 -0.242 9.441 302 H ASP 40 H ASP 40 4.601 -3.727 13.647 303 HA ASP 40 HA ASP 40 4.652 -6.693 13.664 304 HB2 ASP 40 2HB ASP 40 5.167 -5.072 15.896 305 HB3 ASP 40 1HB ASP 40 3.479 -5.200 15.883 306 HA PRO 41 HA PRO 41 0.493 -6.355 12.104 307 HB2 PRO 41 2HB PRO 41 -0.242 -8.975 12.697 308 HB3 PRO 41 1HB PRO 41 0.530 -8.430 11.206 309 HG2 PRO 41 2HG PRO 41 1.737 -9.718 13.603 310 HG3 PRO 41 1HG PRO 41 2.159 -9.890 11.891 311 HD2 PRO 41 2HD PRO 41 3.636 -8.427 13.597 312 HD3 PRO 41 1HD PRO 41 3.453 -7.972 11.890 313 H SER 42 H SER 42 1.271 -7.436 15.299 314 HA SER 42 HA SER 42 -1.384 -7.578 16.317 315 HB2 SER 42 2HB SER 42 1.084 -7.053 17.939 316 HB3 SER 42 1HB SER 42 -0.330 -8.024 18.366 317 HG SER 42 HG SER 42 1.898 -8.602 16.904 318 H GLN 43 H GLN 43 0.750 -4.972 15.562 319 HA GLN 43 HA GLN 43 -1.062 -3.113 16.871 320 HB2 GLN 43 2HB GLN 43 0.960 -1.605 17.314 321 HB3 GLN 43 1HB GLN 43 0.770 -2.996 18.387 322 HG2 GLN 43 2HG GLN 43 2.459 -3.430 16.077 323 HG3 GLN 43 1HG GLN 43 3.007 -2.095 17.089 324 HE21 GLN 43 1HE2 GLN 43 1.313 -4.919 18.203 325 HE22 GLN 43 2HE2 GLN 43 2.585 -5.581 19.159 326 H ASN 44 H ASN 44 -0.870 -4.043 14.127 327 HA ASN 44 HA ASN 44 -0.046 -1.556 12.783 328 HB2 ASN 44 2HB ASN 44 -0.429 -4.334 11.905 329 HB3 ASN 44 1HB ASN 44 -0.395 -3.032 10.710 330 HD21 ASN 44 1HD2 ASN 44 1.357 -5.193 10.717 331 HD22 ASN 44 2HD2 ASN 44 2.935 -4.662 11.138 332 HA PRO 45 HA PRO 45 -4.171 -0.354 12.183 333 HB2 PRO 45 2HB PRO 45 -3.977 0.910 9.778 334 HB3 PRO 45 1HB PRO 45 -3.355 1.596 11.287 335 HG2 PRO 45 2HG PRO 45 -1.890 0.105 9.138 336 HG3 PRO 45 1HG PRO 45 -1.421 1.609 9.972 337 HD2 PRO 45 2HD PRO 45 -0.407 -0.771 10.624 338 HD3 PRO 45 1HD PRO 45 -0.760 0.473 11.856 339 H PHE 46 H PHE 46 -2.770 -1.581 9.151 340 HA PHE 46 HA PHE 46 -5.377 -2.758 8.581 341 HB2 PHE 46 2HB PHE 46 -3.123 -2.075 6.687 342 HB3 PHE 46 1HB PHE 46 -4.681 -2.740 6.205 343 HD1 PHE 46 2HD PHE 46 -6.742 -1.400 6.531 344 HD2 PHE 46 1HD PHE 46 -2.867 0.230 7.188 345 HE1 PHE 46 2HE PHE 46 -7.685 0.869 6.469 346 HE2 PHE 46 1HE PHE 46 -3.817 2.501 7.128 347 HZ PHE 46 HZ PHE 46 -6.204 2.821 6.769 348 H SER 47 H SER 47 -2.745 -3.682 9.971 349 HA SER 47 HA SER 47 -2.746 -6.329 8.683 350 HB2 SER 47 2HB SER 47 -0.542 -4.801 8.921 351 HB3 SER 47 1HB SER 47 -0.578 -5.501 10.503 352 HG SER 47 HG SER 47 -0.984 -7.549 8.970 353 H GLU 48 H GLU 48 -3.936 -4.711 11.283 354 HA GLU 48 HA GLU 48 -3.602 -6.760 13.249 355 HB2 GLU 48 2HB GLU 48 -5.405 -5.552 14.482 356 HB3 GLU 48 1HB GLU 48 -4.095 -4.489 13.991 357 HG2 GLU 48 2HG GLU 48 -5.396 -3.601 12.190 358 HG3 GLU 48 1HG GLU 48 -6.659 -4.797 12.454 359 H ASP 49 H ASP 49 -5.516 -6.122 10.580 360 HA ASP 49 HA ASP 49 -7.786 -7.750 11.276 361 HB2 ASP 49 2HB ASP 49 -7.970 -5.690 9.863 362 HB3 ASP 49 1HB ASP 49 -7.065 -6.528 8.607 363 H LYS 50 H LYS 50 -4.910 -7.930 9.297 364 HA LYS 50 HA LYS 50 -5.237 -10.820 9.045 365 HB2 LYS 50 2HB LYS 50 -4.360 -9.015 6.788 366 HB3 LYS 50 1HB LYS 50 -4.502 -10.761 6.726 367 HG2 LYS 50 2HG LYS 50 -6.890 -10.618 7.009 368 HG3 LYS 50 1HG LYS 50 -6.796 -8.860 7.127 369 HD2 LYS 50 2HD LYS 50 -5.810 -8.867 4.834 370 HD3 LYS 50 1HD LYS 50 -6.162 -10.594 4.753 371 HE2 LYS 50 2HE LYS 50 -7.933 -9.316 3.690 372 HE3 LYS 50 1HE LYS 50 -8.529 -10.130 5.130 373 HZ1 LYS 50 3HZ LYS 50 -9.256 -7.754 4.916 374 HZ2 LYS 50 1HZ LYS 50 -7.662 -7.292 5.111 375 HZ3 LYS 50 2HZ LYS 50 -8.482 -8.078 6.359 376 H THR 51 H THR 51 -3.340 -11.839 9.432 377 HA THR 51 HA THR 51 -1.271 -10.152 10.486 378 HB THR 51 HB THR 51 -0.355 -12.441 11.224 379 HG1 THR 51 1HG THR 51 -1.464 -13.884 10.029 380 HG21 THR 51 3HG2 THR 51 -3.069 -11.499 12.181 381 HG22 THR 51 1HG2 THR 51 -1.516 -10.861 12.722 382 HG23 THR 51 2HG2 THR 51 -1.964 -12.525 13.092 383 H ASP 52 H ASP 52 -1.870 -11.245 7.553 384 HA ASP 52 HA ASP 52 0.740 -12.071 6.696 385 HB2 ASP 52 2HB ASP 52 -1.403 -12.632 5.515 386 HB3 ASP 52 1HB ASP 52 -1.556 -10.941 5.078 387 H LYS 53 H LYS 53 2.367 -10.676 6.693 388 HA LYS 53 HA LYS 53 1.831 -7.864 6.878 389 HB2 LYS 53 2HB LYS 53 4.458 -9.340 6.909 390 HB3 LYS 53 1HB LYS 53 4.233 -7.630 7.269 391 HG2 LYS 53 2HG LYS 53 2.758 -8.262 9.158 392 HG3 LYS 53 1HG LYS 53 3.121 -9.952 8.837 393 HD2 LYS 53 2HD LYS 53 5.134 -7.826 9.591 394 HD3 LYS 53 1HD LYS 53 4.446 -9.034 10.659 395 HE2 LYS 53 2HE LYS 53 6.095 -9.669 8.220 396 HE3 LYS 53 1HE LYS 53 6.720 -9.609 9.862 397 HZ1 LYS 53 3HZ LYS 53 6.230 -11.831 9.104 398 HZ2 LYS 53 1HZ LYS 53 4.601 -11.471 8.912 399 HZ3 LYS 53 2HZ LYS 53 5.293 -11.447 10.454 400 H GLY 54 H GLY 54 3.691 -6.560 5.722 401 HA2 GLY 54 2HA GLY 54 4.801 -6.499 3.386 402 HA3 GLY 54 1HA GLY 54 3.203 -7.071 2.866 403 H ILE 55 H ILE 55 4.807 -4.504 2.470 404 HA ILE 55 HA ILE 55 3.782 -2.341 3.829 405 HB ILE 55 HB ILE 55 4.675 -2.408 0.932 406 HG12 ILE 55 2HG1 ILE 55 6.326 -3.286 2.593 407 HG13 ILE 55 1HG1 ILE 55 6.838 -1.868 1.679 408 HG21 ILE 55 1HG2 ILE 55 3.459 -0.360 1.418 409 HG22 ILE 55 2HG2 ILE 55 5.177 -0.008 1.208 410 HG23 ILE 55 3HG2 ILE 55 4.473 -0.080 2.825 411 HD11 ILE 55 3HD1 ILE 55 5.652 -1.674 4.405 412 HD12 ILE 55 1HD1 ILE 55 6.575 -0.468 3.566 413 HD13 ILE 55 2HD1 ILE 55 7.380 -1.924 4.227 414 H TYR 56 H TYR 56 1.917 -1.433 3.970 415 HA TYR 56 HA TYR 56 0.123 -1.594 1.717 416 HB2 TYR 56 2HB TYR 56 -1.692 -1.376 3.653 417 HB3 TYR 56 1HB TYR 56 -1.090 -2.949 3.134 418 HD1 TYR 56 2HD TYR 56 -0.576 -0.293 5.704 419 HD2 TYR 56 1HD TYR 56 -0.010 -4.312 4.548 420 HE1 TYR 56 2HE TYR 56 0.289 -0.815 7.949 421 HE2 TYR 56 1HE TYR 56 0.883 -4.869 6.676 422 HH TYR 56 HH TYR 56 1.924 -3.675 8.589 423 H VAL 57 H VAL 57 -1.340 0.109 1.615 424 HA VAL 57 HA VAL 57 -0.051 2.603 2.109 425 HB VAL 57 HB VAL 57 -2.658 1.889 0.780 426 HG11 VAL 57 1HG1 VAL 57 -1.088 4.440 0.791 427 HG12 VAL 57 2HG1 VAL 57 -2.677 4.175 1.520 428 HG13 VAL 57 3HG1 VAL 57 -2.471 4.076 -0.235 429 HG21 VAL 57 3HG2 VAL 57 -0.959 0.924 -0.495 430 HG22 VAL 57 1HG2 VAL 57 0.110 2.317 -0.238 431 HG23 VAL 57 2HG2 VAL 57 -1.293 2.501 -1.245 432 H THR 58 H THR 58 -0.661 4.114 3.602 433 HA THR 58 HA THR 58 -2.941 3.433 5.307 434 HB THR 58 HB THR 58 -1.719 5.038 6.886 435 HG1 THR 58 1HG THR 58 0.689 4.857 6.173 436 HG21 THR 58 3HG2 THR 58 -0.409 2.429 6.054 437 HG22 THR 58 1HG2 THR 58 -1.764 2.572 7.166 438 HG23 THR 58 2HG2 THR 58 -0.185 3.228 7.603 439 H ARG 59 H ARG 59 -1.615 5.759 3.150 440 HA ARG 59 HA ARG 59 -4.031 7.365 3.356 441 HB2 ARG 59 2HB ARG 59 -1.249 8.248 3.797 442 HB3 ARG 59 1HB ARG 59 -2.332 9.335 2.931 443 HG2 ARG 59 2HG ARG 59 -2.727 8.173 5.701 444 HG3 ARG 59 1HG ARG 59 -2.168 9.814 5.360 445 HD2 ARG 59 2HD ARG 59 -4.277 10.289 4.220 446 HD3 ARG 59 1HD ARG 59 -4.840 8.657 4.550 447 HE ARG 59 HE ARG 59 -4.244 9.575 6.977 448 HH11 ARG 59 1HH1 ARG 59 -6.219 10.876 4.327 449 HH12 ARG 59 2HH1 ARG 59 -7.304 11.700 5.354 450 HH21 ARG 59 1HH2 ARG 59 -5.763 10.670 8.382 451 HH22 ARG 59 2HH2 ARG 59 -7.032 11.577 7.721 452 H VAL 60 H VAL 60 -4.755 7.995 1.390 453 HA VAL 60 HA VAL 60 -2.888 7.831 -0.839 454 HB VAL 60 HB VAL 60 -5.786 6.816 -0.893 455 HG11 VAL 60 1HG1 VAL 60 -3.877 7.106 -3.108 456 HG12 VAL 60 2HG1 VAL 60 -5.353 8.057 -2.875 457 HG13 VAL 60 3HG1 VAL 60 -5.448 6.317 -3.200 458 HG21 VAL 60 3HG2 VAL 60 -4.860 4.738 -1.580 459 HG22 VAL 60 1HG2 VAL 60 -4.209 5.227 -0.015 460 HG23 VAL 60 2HG2 VAL 60 -3.234 5.418 -1.487 461 H SER 61 H SER 61 -2.995 9.519 -2.233 462 HA SER 61 HA SER 61 -4.088 11.936 -1.635 463 HB2 SER 61 2HB SER 61 -3.008 10.532 -3.953 464 HB3 SER 61 1HB SER 61 -3.876 12.012 -4.268 465 HG SER 61 HG SER 61 -2.271 12.558 -2.267 466 H GLU 62 H GLU 62 -6.211 12.337 -1.479 467 HA GLU 62 HA GLU 62 -8.271 10.793 -2.626 468 HB2 GLU 62 2HB GLU 62 -9.745 12.618 -1.864 469 HB3 GLU 62 1HB GLU 62 -8.656 11.977 -0.619 470 HG2 GLU 62 2HG GLU 62 -7.198 13.918 -1.002 471 HG3 GLU 62 1HG GLU 62 -8.373 14.539 -2.154 472 H GLY 63 H GLY 63 -6.378 13.116 -3.963 473 HA2 GLY 63 2HA GLY 63 -8.124 13.244 -6.316 474 HA3 GLY 63 1HA GLY 63 -7.480 14.744 -5.640 475 H GLY 64 H GLY 64 -5.638 11.842 -5.509 476 HA2 GLY 64 2HA GLY 64 -3.814 13.047 -7.450 477 HA3 GLY 64 1HA GLY 64 -3.278 12.124 -6.063 478 HA PRO 65 HA PRO 65 -3.417 9.719 -10.109 479 HB2 PRO 65 2HB PRO 65 -0.961 8.616 -9.786 480 HB3 PRO 65 1HB PRO 65 -1.189 10.175 -10.560 481 HG2 PRO 65 2HG PRO 65 -0.450 9.547 -7.735 482 HG3 PRO 65 1HG PRO 65 0.255 10.775 -8.786 483 HD2 PRO 65 2HD PRO 65 -1.568 11.344 -6.909 484 HD3 PRO 65 1HD PRO 65 -1.577 12.232 -8.469 485 H ALA 66 H ALA 66 -2.486 8.947 -6.906 486 HA ALA 66 HA ALA 66 -2.332 6.177 -7.018 487 HB1 ALA 66 1HB ALA 66 -3.179 7.940 -4.756 488 HB2 ALA 66 2HB ALA 66 -1.522 7.512 -5.169 489 HB3 ALA 66 3HB ALA 66 -2.641 6.259 -4.611 490 H GLU 67 H GLU 67 -5.181 8.082 -5.919 491 HA GLU 67 HA GLU 67 -6.584 5.610 -6.373 492 HB2 GLU 67 2HB GLU 67 -8.581 6.675 -5.450 493 HB3 GLU 67 1HB GLU 67 -7.223 6.593 -4.350 494 HG2 GLU 67 2HG GLU 67 -6.808 8.913 -4.565 495 HG3 GLU 67 1HG GLU 67 -7.910 9.064 -5.907 496 H ILE 68 H ILE 68 -6.068 8.499 -8.059 497 HA ILE 68 HA ILE 68 -8.230 8.367 -9.828 498 HB ILE 68 HB ILE 68 -5.404 9.350 -10.112 499 HG12 ILE 68 2HG1 ILE 68 -6.890 10.776 -8.848 500 HG13 ILE 68 1HG1 ILE 68 -6.458 11.563 -10.357 501 HG21 ILE 68 1HG2 ILE 68 -5.858 10.292 -12.326 502 HG22 ILE 68 2HG2 ILE 68 -7.371 9.379 -12.387 503 HG23 ILE 68 3HG2 ILE 68 -5.824 8.531 -12.308 504 HD11 ILE 68 3HD1 ILE 68 -8.787 11.936 -9.870 505 HD12 ILE 68 1HD1 ILE 68 -9.082 10.201 -9.739 506 HD13 ILE 68 2HD1 ILE 68 -8.642 10.906 -11.291 507 H ALA 69 H ALA 69 -5.265 6.544 -9.624 508 HA ALA 69 HA ALA 69 -5.903 4.996 -11.971 509 HB1 ALA 69 1HB ALA 69 -3.962 3.622 -11.345 510 HB2 ALA 69 2HB ALA 69 -3.832 4.509 -9.827 511 HB3 ALA 69 3HB ALA 69 -3.542 5.329 -11.356 512 H GLY 70 H GLY 70 -5.706 4.246 -8.475 513 HA2 GLY 70 2HA GLY 70 -8.132 3.161 -8.060 514 HA3 GLY 70 1HA GLY 70 -7.324 1.868 -8.927 515 H LEU 71 H LEU 71 -5.419 3.839 -6.798 516 HA LEU 71 HA LEU 71 -5.022 1.588 -5.046 517 HB2 LEU 71 2HB LEU 71 -3.107 2.764 -5.853 518 HB3 LEU 71 1HB LEU 71 -3.733 4.292 -5.265 519 HG LEU 71 HG LEU 71 -2.939 3.891 -3.098 520 HD11 LEU 71 1HD1 LEU 71 -2.843 0.932 -3.931 521 HD12 LEU 71 2HD1 LEU 71 -4.118 1.599 -2.915 522 HD13 LEU 71 3HD1 LEU 71 -2.470 1.512 -2.312 523 HD21 LEU 71 3HD2 LEU 71 -0.750 2.942 -3.359 524 HD22 LEU 71 1HD2 LEU 71 -1.164 3.985 -4.714 525 HD23 LEU 71 2HD2 LEU 71 -1.215 2.230 -4.902 526 H GLN 72 H GLN 72 -6.154 1.331 -3.235 527 HA GLN 72 HA GLN 72 -7.330 3.705 -2.014 528 HB2 GLN 72 2HB GLN 72 -8.091 0.856 -1.458 529 HB3 GLN 72 1HB GLN 72 -9.000 2.308 -1.108 530 HG2 GLN 72 2HG GLN 72 -8.493 1.198 -3.849 531 HG3 GLN 72 1HG GLN 72 -9.963 0.912 -2.920 532 HE21 GLN 72 1HE2 GLN 72 -8.129 3.946 -3.585 533 HE22 GLN 72 2HE2 GLN 72 -9.453 4.707 -4.379 534 H ILE 73 H ILE 73 -7.378 3.572 0.303 535 HA ILE 73 HA ILE 73 -4.886 2.958 1.501 536 HB ILE 73 HB ILE 73 -7.551 3.704 2.723 537 HG12 ILE 73 2HG1 ILE 73 -5.095 5.356 2.182 538 HG13 ILE 73 1HG1 ILE 73 -6.564 5.381 1.202 539 HG21 ILE 73 1HG2 ILE 73 -4.821 3.672 3.991 540 HG22 ILE 73 2HG2 ILE 73 -6.151 2.578 4.366 541 HG23 ILE 73 3HG2 ILE 73 -6.290 4.299 4.734 542 HD11 ILE 73 3HD1 ILE 73 -6.433 7.276 2.706 543 HD12 ILE 73 1HD1 ILE 73 -6.321 6.181 4.086 544 HD13 ILE 73 2HD1 ILE 73 -7.800 6.232 3.121 545 H GLY 74 H GLY 74 -4.219 1.199 2.656 546 HA2 GLY 74 2HA GLY 74 -4.352 -0.829 3.846 547 HA3 GLY 74 1HA GLY 74 -6.081 -0.778 3.625 548 H ASP 75 H ASP 75 -4.423 -0.300 0.710 549 HA ASP 75 HA ASP 75 -5.595 -2.631 -0.392 550 HB2 ASP 75 2HB ASP 75 -4.246 -0.301 -1.469 551 HB3 ASP 75 1HB ASP 75 -4.105 -1.751 -2.449 552 H LYS 76 H LYS 76 -2.868 -2.726 1.292 553 HA LYS 76 HA LYS 76 -1.103 -4.246 1.408 554 HB2 LYS 76 2HB LYS 76 -3.430 -5.799 0.386 555 HB3 LYS 76 1HB LYS 76 -1.890 -6.597 0.624 556 HG2 LYS 76 2HG LYS 76 -3.121 -4.992 2.837 557 HG3 LYS 76 1HG LYS 76 -3.684 -6.631 2.510 558 HD2 LYS 76 2HD LYS 76 -0.800 -5.893 3.017 559 HD3 LYS 76 1HD LYS 76 -1.903 -6.504 4.256 560 HE2 LYS 76 2HE LYS 76 -2.226 -8.563 2.961 561 HE3 LYS 76 1HE LYS 76 -1.150 -7.971 1.709 562 HZ1 LYS 76 3HZ LYS 76 0.677 -8.016 3.317 563 HZ2 LYS 76 1HZ LYS 76 -0.068 -9.512 3.210 564 HZ3 LYS 76 2HZ LYS 76 -0.379 -8.530 4.514 565 H ILE 77 H ILE 77 0.462 -3.393 -0.013 566 HA ILE 77 HA ILE 77 0.235 -3.890 -2.822 567 HB ILE 77 HB ILE 77 2.523 -2.705 -1.282 568 HG12 ILE 77 2HG1 ILE 77 0.386 -1.088 -2.598 569 HG13 ILE 77 1HG1 ILE 77 0.111 -1.707 -0.967 570 HG21 ILE 77 1HG2 ILE 77 2.947 -1.614 -3.442 571 HG22 ILE 77 2HG2 ILE 77 1.522 -2.402 -4.121 572 HG23 ILE 77 3HG2 ILE 77 2.910 -3.370 -3.622 573 HD11 ILE 77 3HD1 ILE 77 1.996 -0.638 -0.175 574 HD12 ILE 77 1HD1 ILE 77 1.009 0.553 -1.022 575 HD13 ILE 77 2HD1 ILE 77 2.474 -0.112 -1.807 576 H MET 78 H MET 78 1.137 -5.609 -3.756 577 HA MET 78 HA MET 78 2.962 -7.238 -2.123 578 HB2 MET 78 2HB MET 78 1.336 -8.105 -4.523 579 HB3 MET 78 1HB MET 78 2.299 -9.140 -3.496 580 HG2 MET 78 2HG MET 78 -0.136 -7.647 -2.510 581 HG3 MET 78 1HG MET 78 -0.221 -9.243 -3.222 582 HE1 MET 78 3HE MET 78 2.210 -7.567 -0.389 583 HE2 MET 78 1HE MET 78 1.391 -8.242 1.010 584 HE3 MET 78 2HE MET 78 0.543 -7.114 -0.046 585 H GLN 79 H GLN 79 2.756 -5.277 -4.873 586 HA GLN 79 HA GLN 79 5.400 -5.972 -5.778 587 HB2 GLN 79 2HB GLN 79 4.182 -7.677 -6.829 588 HB3 GLN 79 1HB GLN 79 2.894 -6.618 -7.301 589 HG2 GLN 79 2HG GLN 79 4.314 -7.438 -9.111 590 HG3 GLN 79 1HG GLN 79 4.258 -5.673 -9.049 591 HE21 GLN 79 1HE2 GLN 79 6.095 -4.629 -8.640 592 HE22 GLN 79 2HE2 GLN 79 7.668 -5.383 -8.630 593 H VAL 80 H VAL 80 6.386 -4.182 -6.530 594 HA VAL 80 HA VAL 80 4.807 -1.860 -7.461 595 HB VAL 80 HB VAL 80 7.085 -1.824 -5.451 596 HG11 VAL 80 1HG1 VAL 80 6.907 0.623 -5.445 597 HG12 VAL 80 2HG1 VAL 80 5.769 0.530 -6.793 598 HG13 VAL 80 3HG1 VAL 80 7.431 -0.005 -7.010 599 HG21 VAL 80 3HG2 VAL 80 4.202 -1.009 -5.271 600 HG22 VAL 80 1HG2 VAL 80 5.428 -0.630 -4.054 601 HG23 VAL 80 2HG2 VAL 80 5.022 -2.300 -4.424 602 H ASN 81 H ASN 81 5.406 -1.684 -9.483 603 HA ASN 81 HA ASN 81 6.579 -1.282 -11.335 604 HB2 ASN 81 2HB ASN 81 7.239 0.551 -9.613 605 HB3 ASN 81 1HB ASN 81 8.812 -0.221 -9.648 606 HD21 ASN 81 1HD2 ASN 81 6.616 0.220 -12.483 607 HD22 ASN 81 2HD2 ASN 81 7.616 1.355 -13.244 608 H GLY 82 H GLY 82 7.113 -3.877 -10.141 609 HA2 GLY 82 2HA GLY 82 8.298 -5.695 -11.013 610 HA3 GLY 82 1HA GLY 82 9.492 -4.552 -11.639 611 H TRP 83 H TRP 83 8.958 -3.905 -8.403 612 HA TRP 83 HA TRP 83 11.423 -5.402 -7.864 613 HB2 TRP 83 2HB TRP 83 12.300 -3.598 -6.811 614 HB3 TRP 83 1HB TRP 83 11.028 -2.760 -7.679 615 HD1 TRP 83 HD TRP 83 8.594 -2.837 -6.027 616 HE1 TRP 83 1HE TRP 83 8.475 -1.929 -3.606 617 HE3 TRP 83 3HE TRP 83 13.544 -2.984 -4.848 618 HZ2 TRP 83 2HZ TRP 83 10.218 -1.332 -1.533 619 HZ3 TRP 83 3HZ TRP 83 14.242 -2.216 -2.614 620 HH2 TRP 83 HH TRP 83 12.609 -1.415 -0.993 621 H ASP 84 H ASP 84 8.210 -6.049 -6.969 622 HA ASP 84 HA ASP 84 7.170 -7.167 -5.371 623 HB2 ASP 84 2HB ASP 84 9.111 -8.777 -5.590 624 HB3 ASP 84 1HB ASP 84 9.866 -7.895 -4.254 625 H MET 85 H MET 85 6.142 -6.560 -3.612 626 HA MET 85 HA MET 85 7.614 -4.973 -1.670 627 HB2 MET 85 2HB MET 85 6.463 -3.337 -3.049 628 HB3 MET 85 1HB MET 85 4.956 -4.208 -2.886 629 HG2 MET 85 2HG MET 85 4.577 -3.491 -0.760 630 HG3 MET 85 1HG MET 85 6.280 -3.202 -0.424 631 HE1 MET 85 3HE MET 85 7.583 -1.145 -1.062 632 HE2 MET 85 1HE MET 85 6.978 0.211 -2.023 633 HE3 MET 85 2HE MET 85 7.225 -1.349 -2.777 634 H THR 86 H THR 86 6.035 -7.684 -2.110 635 HA THR 86 HA THR 86 4.327 -7.599 0.175 636 HB THR 86 HB THR 86 3.637 -9.138 -1.510 637 HG1 THR 86 1HG THR 86 4.442 -10.217 0.912 638 HG21 THR 86 3HG2 THR 86 6.313 -10.493 -1.217 639 HG22 THR 86 1HG2 THR 86 5.788 -9.534 -2.597 640 HG23 THR 86 2HG2 THR 86 4.990 -11.064 -2.237 641 H MET 87 H MET 87 7.649 -8.109 -0.277 642 HA MET 87 HA MET 87 7.862 -8.402 2.609 643 HB2 MET 87 2HB MET 87 8.233 -10.656 1.632 644 HB3 MET 87 1HB MET 87 9.515 -9.987 0.632 645 HG2 MET 87 2HG MET 87 10.817 -9.468 2.605 646 HG3 MET 87 1HG MET 87 9.524 -10.065 3.641 647 HE1 MET 87 3HE MET 87 12.332 -10.972 1.072 648 HE2 MET 87 1HE MET 87 10.903 -11.589 0.240 649 HE3 MET 87 2HE MET 87 12.111 -12.712 0.863 650 H VAL 88 H VAL 88 8.347 -6.167 2.735 651 HA VAL 88 HA VAL 88 11.075 -5.542 2.313 652 HB VAL 88 HB VAL 88 10.210 -5.008 0.037 653 HG11 VAL 88 1HG1 VAL 88 7.885 -4.559 0.562 654 HG12 VAL 88 2HG1 VAL 88 8.595 -3.162 -0.256 655 HG13 VAL 88 3HG1 VAL 88 8.359 -3.144 1.490 656 HG21 VAL 88 3HG2 VAL 88 12.018 -3.664 0.935 657 HG22 VAL 88 1HG2 VAL 88 10.849 -2.583 1.696 658 HG23 VAL 88 2HG2 VAL 88 10.952 -2.674 -0.063 659 H THR 89 H THR 89 11.682 -3.858 3.625 660 HA THR 89 HA THR 89 10.013 -3.337 5.824 661 HB THR 89 HB THR 89 11.866 -1.670 6.369 662 HG1 THR 89 1HG THR 89 13.498 -3.057 4.627 663 HG21 THR 89 3HG2 THR 89 13.397 -3.473 7.057 664 HG22 THR 89 1HG2 THR 89 12.469 -4.607 6.045 665 HG23 THR 89 2HG2 THR 89 11.695 -3.762 7.397 666 H HIS 90 H HIS 90 9.272 -1.422 6.521 667 HA HIS 90 HA HIS 90 8.005 0.364 4.800 668 HB2 HIS 90 2HB HIS 90 7.543 0.123 7.189 669 HB3 HIS 90 1HB HIS 90 9.079 0.824 7.608 670 HD1 HIS 90 1HD HIS 90 5.647 1.659 7.510 671 HD2 HIS 90 2HD HIS 90 9.094 3.674 6.388 672 HE1 HIS 90 1HE HIS 90 4.977 4.008 7.205 673 H ASP 91 H ASP 91 11.124 0.483 6.300 674 HA ASP 91 HA ASP 91 12.024 3.024 5.566 675 HB2 ASP 91 2HB ASP 91 13.028 1.502 7.237 676 HB3 ASP 91 1HB ASP 91 13.579 0.518 5.903 677 H GLN 92 H GLN 92 12.401 -0.073 3.975 678 HA GLN 92 HA GLN 92 13.897 1.089 1.818 679 HB2 GLN 92 2HB GLN 92 13.233 -1.607 2.670 680 HB3 GLN 92 1HB GLN 92 13.175 -1.433 0.926 681 HG2 GLN 92 2HG GLN 92 15.375 -2.167 1.651 682 HG3 GLN 92 1HG GLN 92 15.454 -0.576 0.909 683 HE21 GLN 92 1HE2 GLN 92 14.427 -1.279 4.230 684 HE22 GLN 92 2HE2 GLN 92 15.752 -0.447 4.955 685 H ALA 93 H ALA 93 10.616 0.202 2.364 686 HA ALA 93 HA ALA 93 9.762 0.375 -0.333 687 HB1 ALA 93 1HB ALA 93 8.157 0.676 2.189 688 HB2 ALA 93 2HB ALA 93 8.539 -0.838 1.380 689 HB3 ALA 93 3HB ALA 93 7.520 0.360 0.574 690 H ARG 94 H ARG 94 9.859 2.619 2.372 691 HA ARG 94 HA ARG 94 8.442 4.702 1.266 692 HB2 ARG 94 2HB ARG 94 10.655 4.591 3.261 693 HB3 ARG 94 1HB ARG 94 10.149 6.188 2.723 694 HG2 ARG 94 2HG ARG 94 8.344 4.108 3.920 695 HG3 ARG 94 1HG ARG 94 9.141 5.379 4.842 696 HD2 ARG 94 2HD ARG 94 7.332 5.898 2.511 697 HD3 ARG 94 1HD ARG 94 6.739 5.844 4.180 698 HE ARG 94 HE ARG 94 8.932 7.657 3.825 699 HH11 ARG 94 1HH1 ARG 94 5.401 7.430 3.587 700 HH12 ARG 94 2HH1 ARG 94 5.139 9.096 3.604 701 HH21 ARG 94 1HH2 ARG 94 8.576 9.945 3.821 702 HH22 ARG 94 2HH2 ARG 94 6.981 10.585 3.770 703 H LYS 95 H LYS 95 11.791 3.895 0.869 704 HA LYS 95 HA LYS 95 12.178 6.162 -0.903 705 HB2 LYS 95 2HB LYS 95 14.589 5.363 -1.025 706 HB3 LYS 95 1HB LYS 95 14.033 5.953 0.530 707 HG2 LYS 95 2HG LYS 95 13.870 3.718 1.378 708 HG3 LYS 95 1HG LYS 95 14.224 3.047 -0.217 709 HD2 LYS 95 2HD LYS 95 16.442 3.904 -0.177 710 HD3 LYS 95 1HD LYS 95 16.105 4.880 1.255 711 HE2 LYS 95 2HE LYS 95 15.994 1.875 1.213 712 HE3 LYS 95 1HE LYS 95 17.426 2.794 1.668 713 HZ1 LYS 95 3HZ LYS 95 16.235 3.789 3.447 714 HZ2 LYS 95 1HZ LYS 95 16.072 2.138 3.632 715 HZ3 LYS 95 2HZ LYS 95 14.793 3.071 3.042 716 H ARG 96 H ARG 96 10.411 4.270 -1.653 717 HA ARG 96 HA ARG 96 11.484 3.722 -4.259 718 HB2 ARG 96 2HB ARG 96 11.634 1.526 -3.082 719 HB3 ARG 96 1HB ARG 96 9.912 1.618 -2.744 720 HG2 ARG 96 2HG ARG 96 10.248 0.154 -4.625 721 HG3 ARG 96 1HG ARG 96 9.478 1.634 -5.196 722 HD2 ARG 96 2HD ARG 96 11.735 2.475 -5.860 723 HD3 ARG 96 1HD ARG 96 12.394 0.903 -5.406 724 HE ARG 96 HE ARG 96 10.263 0.731 -7.283 725 HH11 ARG 96 1HH1 ARG 96 13.773 1.098 -6.909 726 HH12 ARG 96 2HH1 ARG 96 14.120 0.863 -8.554 727 HH21 ARG 96 1HH2 ARG 96 10.786 0.360 -9.636 728 HH22 ARG 96 2HH2 ARG 96 12.418 0.421 -10.093 729 H LEU 97 H LEU 97 8.636 3.727 -2.194 730 HA LEU 97 HA LEU 97 7.140 4.515 -4.557 731 HB2 LEU 97 2HB LEU 97 5.193 4.375 -2.912 732 HB3 LEU 97 1HB LEU 97 5.946 2.899 -3.520 733 HG LEU 97 HG LEU 97 7.267 2.918 -1.356 734 HD11 LEU 97 1HD1 LEU 97 6.284 4.077 0.536 735 HD12 LEU 97 2HD1 LEU 97 5.138 4.879 -0.537 736 HD13 LEU 97 3HD1 LEU 97 6.865 5.211 -0.684 737 HD21 LEU 97 3HD2 LEU 97 5.637 1.769 -0.258 738 HD22 LEU 97 1HD2 LEU 97 5.374 1.491 -1.974 739 HD23 LEU 97 2HD2 LEU 97 4.330 2.639 -1.086 740 H THR 98 H THR 98 8.286 5.990 -1.676 741 HA THR 98 HA THR 98 6.831 8.314 -2.668 742 HB THR 98 HB THR 98 6.179 7.749 -0.348 743 HG1 THR 98 1HG THR 98 7.442 10.162 -0.933 744 HG21 THR 98 3HG2 THR 98 9.027 8.428 0.318 745 HG22 THR 98 1HG2 THR 98 8.258 6.847 0.441 746 HG23 THR 98 2HG2 THR 98 7.730 8.162 1.491 747 H LYS 99 H LYS 99 9.622 7.040 -3.174 748 HA LYS 99 HA LYS 99 11.394 9.206 -2.784 749 HB2 LYS 99 2HB LYS 99 12.850 8.121 -4.429 750 HB3 LYS 99 1HB LYS 99 12.128 6.905 -3.374 751 HG2 LYS 99 2HG LYS 99 10.830 6.024 -4.976 752 HG3 LYS 99 1HG LYS 99 10.745 7.513 -5.927 753 HD2 LYS 99 2HD LYS 99 12.068 5.866 -7.122 754 HD3 LYS 99 1HD LYS 99 13.113 7.171 -6.567 755 HE2 LYS 99 2HE LYS 99 13.822 5.773 -4.682 756 HE3 LYS 99 1HE LYS 99 12.753 4.508 -5.252 757 HZ1 LYS 99 3HZ LYS 99 14.002 4.423 -7.327 758 HZ2 LYS 99 1HZ LYS 99 14.947 4.016 -5.990 759 HZ3 LYS 99 2HZ LYS 99 15.137 5.525 -6.687 760 H ARG 100 H ARG 100 12.218 10.603 -4.648 761 HA ARG 100 HA ARG 100 10.020 11.187 -6.515 762 HB2 ARG 100 2HB ARG 100 10.883 13.536 -6.609 763 HB3 ARG 100 1HB ARG 100 10.185 13.068 -5.071 764 HG2 ARG 100 2HG ARG 100 12.317 12.958 -4.065 765 HG3 ARG 100 1HG ARG 100 13.125 13.059 -5.633 766 HD2 ARG 100 2HD ARG 100 12.324 15.326 -5.938 767 HD3 ARG 100 1HD ARG 100 11.347 15.217 -4.477 768 HE ARG 100 HE ARG 100 13.538 14.934 -3.312 769 HH11 ARG 100 1HH1 ARG 100 13.247 16.870 -6.286 770 HH12 ARG 100 2HH1 ARG 100 14.515 17.911 -5.921 771 HH21 ARG 100 1HH2 ARG 100 15.263 16.418 -2.756 772 HH22 ARG 100 2HH2 ARG 100 15.707 17.656 -3.834 773 H SER 101 H SER 101 12.725 9.655 -6.568 774 HA SER 101 HA SER 101 14.080 10.930 -8.764 775 HB2 SER 101 2HB SER 101 15.140 9.463 -6.980 776 HB3 SER 101 1HB SER 101 14.444 8.094 -7.823 777 HG SER 101 HG SER 101 15.594 8.831 -9.735 778 H GLU 102 H GLU 102 11.642 8.509 -8.367 779 HA GLU 102 HA GLU 102 11.702 7.990 -11.243 780 HB2 GLU 102 2HB GLU 102 10.829 6.136 -9.017 781 HB3 GLU 102 1HB GLU 102 10.671 5.770 -10.734 782 HG2 GLU 102 2HG GLU 102 13.084 5.917 -11.015 783 HG3 GLU 102 1HG GLU 102 13.270 6.343 -9.322 784 H GLU 103 H GLU 103 9.342 7.143 -11.957 785 HA GLU 103 HA GLU 103 7.522 9.092 -10.799 786 HB2 GLU 103 2HB GLU 103 6.811 9.680 -13.174 787 HB3 GLU 103 1HB GLU 103 8.310 10.378 -12.545 788 HG2 GLU 103 2HG GLU 103 9.453 8.505 -13.809 789 HG3 GLU 103 1HG GLU 103 7.898 8.197 -14.565 790 H VAL 104 H VAL 104 7.267 6.834 -13.531 791 HA VAL 104 HA VAL 104 4.564 6.254 -12.603 792 HB VAL 104 HB VAL 104 5.788 5.026 -15.053 793 HG11 VAL 104 1HG1 VAL 104 3.814 4.001 -14.419 794 HG12 VAL 104 2HG1 VAL 104 3.463 5.021 -15.833 795 HG13 VAL 104 3HG1 VAL 104 3.029 5.557 -14.203 796 HG21 VAL 104 3HG2 VAL 104 4.494 7.728 -14.873 797 HG22 VAL 104 1HG2 VAL 104 4.844 6.830 -16.372 798 HG23 VAL 104 2HG2 VAL 104 6.168 7.314 -15.311 799 H VAL 105 H VAL 105 4.009 4.466 -11.643 800 HA VAL 105 HA VAL 105 5.935 2.271 -11.566 801 HB VAL 105 HB VAL 105 5.122 1.864 -9.210 802 HG11 VAL 105 1HG1 VAL 105 6.541 4.490 -9.728 803 HG12 VAL 105 2HG1 VAL 105 7.311 2.909 -9.656 804 HG13 VAL 105 3HG1 VAL 105 6.568 3.594 -8.210 805 HG21 VAL 105 3HG2 VAL 105 4.107 3.739 -8.031 806 HG22 VAL 105 1HG2 VAL 105 3.072 3.198 -9.351 807 HG23 VAL 105 2HG2 VAL 105 4.038 4.664 -9.533 808 H ARG 106 H ARG 106 5.057 0.203 -11.354 809 HA ARG 106 HA ARG 106 2.216 -0.077 -12.097 810 HB2 ARG 106 2HB ARG 106 4.419 -2.138 -12.348 811 HB3 ARG 106 1HB ARG 106 2.803 -2.222 -13.026 812 HG2 ARG 106 2HG ARG 106 3.367 -0.424 -14.563 813 HG3 ARG 106 1HG ARG 106 4.987 -0.351 -13.866 814 HD2 ARG 106 2HD ARG 106 3.743 -2.672 -15.342 815 HD3 ARG 106 1HD ARG 106 5.069 -1.659 -15.898 816 HE ARG 106 HE ARG 106 5.164 -3.653 -13.747 817 HH11 ARG 106 1HH1 ARG 106 6.934 -1.442 -15.873 818 HH12 ARG 106 2HH1 ARG 106 8.403 -2.283 -15.792 819 HH21 ARG 106 1HH2 ARG 106 7.242 -4.801 -13.588 820 HH22 ARG 106 2HH2 ARG 106 8.588 -4.221 -14.439 821 H LEU 107 H LEU 107 1.290 -0.304 -10.136 822 HA LEU 107 HA LEU 107 2.714 -1.875 -8.121 823 HB2 LEU 107 2HB LEU 107 0.244 -0.295 -7.821 824 HB3 LEU 107 1HB LEU 107 1.310 -0.831 -6.537 825 HG LEU 107 HG LEU 107 1.813 1.353 -8.550 826 HD11 LEU 107 1HD1 LEU 107 0.336 1.972 -6.777 827 HD12 LEU 107 2HD1 LEU 107 1.905 2.765 -6.585 828 HD13 LEU 107 3HD1 LEU 107 1.484 1.381 -5.572 829 HD21 LEU 107 3HD2 LEU 107 3.618 0.399 -6.361 830 HD22 LEU 107 1HD2 LEU 107 3.912 1.724 -7.470 831 HD23 LEU 107 2HD2 LEU 107 3.868 0.072 -8.086 832 H LEU 108 H LEU 108 1.683 -3.532 -7.176 833 HA LEU 108 HA LEU 108 -0.911 -4.263 -8.228 834 HB2 LEU 108 2HB LEU 108 1.524 -5.774 -8.193 835 HB3 LEU 108 1HB LEU 108 0.194 -6.664 -7.449 836 HG LEU 108 HG LEU 108 -1.039 -5.995 -9.609 837 HD11 LEU 108 1HD1 LEU 108 0.570 -4.407 -10.474 838 HD12 LEU 108 2HD1 LEU 108 0.417 -5.751 -11.604 839 HD13 LEU 108 3HD1 LEU 108 1.816 -5.653 -10.539 840 HD21 LEU 108 3HD2 LEU 108 1.168 -8.052 -9.680 841 HD22 LEU 108 1HD2 LEU 108 -0.176 -7.979 -10.822 842 HD23 LEU 108 2HD2 LEU 108 -0.482 -8.293 -9.116 843 H VAL 109 H VAL 109 -2.283 -4.266 -6.843 844 HA VAL 109 HA VAL 109 -1.503 -4.633 -4.044 845 HB VAL 109 HB VAL 109 -3.297 -3.175 -3.345 846 HG11 VAL 109 1HG1 VAL 109 -2.333 -1.026 -3.986 847 HG12 VAL 109 2HG1 VAL 109 -1.417 -1.829 -5.267 848 HG13 VAL 109 3HG1 VAL 109 -1.109 -2.223 -3.572 849 HG21 VAL 109 3HG2 VAL 109 -3.713 -2.541 -6.252 850 HG22 VAL 109 1HG2 VAL 109 -4.471 -1.700 -4.903 851 HG23 VAL 109 2HG2 VAL 109 -4.837 -3.396 -5.195 852 H THR 110 H THR 110 -3.267 -5.399 -2.692 853 HA THR 110 HA THR 110 -4.965 -7.154 -4.248 854 HB THR 110 HB THR 110 -4.761 -8.769 -2.313 855 HG1 THR 110 1HG THR 110 -2.621 -6.982 -1.720 856 HG21 THR 110 3HG2 THR 110 -2.676 -9.752 -3.140 857 HG22 THR 110 1HG2 THR 110 -2.314 -8.241 -3.975 858 HG23 THR 110 2HG2 THR 110 -3.721 -9.198 -4.451 859 H ARG 111 H ARG 111 -6.996 -7.313 -3.671 860 HA ARG 111 HA ARG 111 -7.911 -4.880 -2.359 861 HB2 ARG 111 2HB ARG 111 -9.500 -6.914 -3.918 862 HB3 ARG 111 1HB ARG 111 -10.167 -5.412 -3.284 863 HG2 ARG 111 2HG ARG 111 -8.592 -4.130 -4.648 864 HG3 ARG 111 1HG ARG 111 -7.906 -5.626 -5.271 865 HD2 ARG 111 2HD ARG 111 -9.421 -4.718 -6.922 866 HD3 ARG 111 1HD ARG 111 -10.125 -6.176 -6.243 867 HE ARG 111 HE ARG 111 -11.692 -4.851 -5.081 868 HH11 ARG 111 1HH1 ARG 111 -9.633 -2.846 -7.199 869 HH12 ARG 111 2HH1 ARG 111 -10.795 -1.633 -7.388 870 HH21 ARG 111 1HH2 ARG 111 -13.263 -3.165 -5.373 871 HH22 ARG 111 2HH2 ARG 111 -12.893 -1.804 -6.326 872 H GLN 112 H GLN 112 -7.458 -7.908 -1.282 873 HA GLN 112 HA GLN 112 -7.788 -9.000 0.663 874 HB2 GLN 112 2HB GLN 112 -8.739 -6.340 1.510 875 HB3 GLN 112 1HB GLN 112 -8.370 -7.634 2.668 876 HG2 GLN 112 2HG GLN 112 -6.655 -6.148 0.793 877 HG3 GLN 112 1HG GLN 112 -6.479 -6.171 2.574 878 HE21 GLN 112 1HE2 GLN 112 -5.678 -7.514 -0.399 879 HE22 GLN 112 2HE2 GLN 112 -4.649 -8.796 0.079 880 H SER 113 H SER 113 -10.091 -8.257 -1.155 881 HA SER 113 HA SER 113 -12.486 -8.755 0.275 882 HB2 SER 113 2HB SER 113 -13.267 -9.045 -2.173 883 HB3 SER 113 1HB SER 113 -12.609 -7.476 -1.677 884 HG SER 113 HG SER 113 -11.824 -8.521 -3.689 885 H LEU 114 H LEU 114 -10.334 -10.703 0.509 886 HA LEU 114 HA LEU 114 -11.108 -13.109 -0.908 887 HB2 LEU 114 2HB LEU 114 -9.125 -14.084 0.326 888 HB3 LEU 114 1HB LEU 114 -8.797 -12.811 -0.823 889 HG LEU 114 HG LEU 114 -8.648 -11.212 1.151 890 HD11 LEU 114 1HD1 LEU 114 -8.559 -13.746 2.755 891 HD12 LEU 114 2HD1 LEU 114 -9.807 -12.503 2.826 892 HD13 LEU 114 3HD1 LEU 114 -8.159 -12.131 3.339 893 HD21 LEU 114 3HD2 LEU 114 -6.669 -13.470 1.008 894 HD22 LEU 114 1HD2 LEU 114 -6.380 -11.895 1.749 895 HD23 LEU 114 2HD2 LEU 114 -6.682 -12.008 0.017 896 H GLN 115 H GLN 115 -12.131 -11.670 1.824 897 HA GLN 115 HA GLN 115 -13.458 -14.047 2.787 898 HB2 GLN 115 2HB GLN 115 -11.255 -14.233 3.916 899 HB3 GLN 115 1HB GLN 115 -11.491 -12.637 4.609 900 HG2 GLN 115 2HG GLN 115 -13.498 -13.501 5.778 901 HG3 GLN 115 1HG GLN 115 -13.115 -15.107 5.164 902 HE21 GLN 115 1HE2 GLN 115 -11.255 -16.164 5.964 903 HE22 GLN 115 2HE2 GLN 115 -10.547 -15.687 7.458 904 H LYS 116 H LYS 116 -12.510 -10.712 3.491 905 HA LYS 116 HA LYS 116 -15.078 -10.292 4.779 906 HB2 LYS 116 2HB LYS 116 -12.492 -8.765 4.894 907 HB3 LYS 116 1HB LYS 116 -13.981 -8.225 5.664 908 HG2 LYS 116 2HG LYS 116 -14.031 -10.115 7.095 909 HG3 LYS 116 1HG LYS 116 -12.730 -10.897 6.204 910 HD2 LYS 116 2HD LYS 116 -11.174 -9.193 6.934 911 HD3 LYS 116 1HD LYS 116 -12.478 -8.332 7.758 912 HE2 LYS 116 2HE LYS 116 -12.775 -10.088 9.317 913 HE3 LYS 116 1HE LYS 116 -11.745 -11.180 8.393 914 HZ1 LYS 116 3HZ LYS 116 -9.879 -9.895 8.904 915 HZ2 LYS 116 1HZ LYS 116 -10.646 -10.200 10.363 916 HZ3 LYS 116 2HZ LYS 116 -10.732 -8.663 9.598 917 H ALA 117 H ALA 117 -15.542 -10.464 2.268 918 HA ALA 117 HA ALA 117 -15.972 -7.666 1.488 919 HB1 ALA 117 1HB ALA 117 -16.104 -8.375 -0.836 920 HB2 ALA 117 2HB ALA 117 -15.822 -10.047 -0.378 921 HB3 ALA 117 3HB ALA 117 -14.545 -8.845 -0.163 922 H VAL 118 H VAL 118 -17.303 -10.927 0.939 923 HA VAL 118 HA VAL 118 -19.902 -9.748 1.434 924 HB VAL 118 HB VAL 118 -19.397 -12.316 -0.124 925 HG11 VAL 118 1HG1 VAL 118 -21.719 -12.038 -0.871 926 HG12 VAL 118 2HG1 VAL 118 -21.871 -10.610 0.155 927 HG13 VAL 118 3HG1 VAL 118 -21.601 -12.197 0.882 928 HG21 VAL 118 3HG2 VAL 118 -18.460 -10.388 -1.334 929 HG22 VAL 118 1HG2 VAL 118 -20.025 -9.583 -1.238 930 HG23 VAL 118 2HG2 VAL 118 -19.855 -11.073 -2.169 931 H GLN 119 H GLN 119 -18.704 -10.103 3.510 932 HA GLN 119 HA GLN 119 -20.131 -12.155 4.861 933 HB2 GLN 119 2HB GLN 119 -18.144 -13.455 4.221 934 HB3 GLN 119 1HB GLN 119 -17.107 -12.247 4.965 935 HG2 GLN 119 2HG GLN 119 -17.953 -12.776 7.147 936 HG3 GLN 119 1HG GLN 119 -19.165 -13.853 6.465 937 HE21 GLN 119 1HE2 GLN 119 -15.884 -13.735 5.269 938 HE22 GLN 119 2HE2 GLN 119 -15.440 -15.295 5.859 939 H GLN 120 H GLN 120 -21.089 -10.563 5.881 940 HA GLN 120 HA GLN 120 -19.509 -9.156 7.898 941 HB2 GLN 120 2HB GLN 120 -21.778 -8.039 6.217 942 HB3 GLN 120 1HB GLN 120 -21.138 -7.247 7.644 943 HG2 GLN 120 2HG GLN 120 -18.929 -7.109 6.529 944 HG3 GLN 120 1HG GLN 120 -19.644 -7.819 5.088 945 HE21 GLN 120 1HE2 GLN 120 -19.149 -5.997 3.858 946 HE22 GLN 120 2HE2 GLN 120 -20.014 -4.515 4.025 947 H SER 121 H SER 121 -20.606 -11.567 8.129 948 HA SER 121 HA SER 121 -23.272 -11.839 8.929 949 HB2 SER 121 2HB SER 121 -22.322 -14.011 9.877 950 HB3 SER 121 1HB SER 121 -22.106 -13.712 8.150 951 HG SER 121 HG SER 121 -20.074 -12.713 9.725 952 H MET 122 H MET 122 -23.437 -13.152 11.242 953 HA MET 122 HA MET 122 -23.523 -13.142 13.474 954 HB2 MET 122 2HB MET 122 -21.122 -12.694 13.656 955 HB3 MET 122 1HB MET 122 -21.385 -10.984 13.364 956 HG2 MET 122 2HG MET 122 -20.952 -11.353 15.699 957 HG3 MET 122 1HG MET 122 -22.627 -10.848 15.482 958 HE1 MET 122 3HE MET 122 -23.204 -11.651 17.941 959 HE2 MET 122 1HE MET 122 -21.514 -12.115 18.148 960 HE3 MET 122 2HE MET 122 -22.801 -13.250 18.554 961 H LEU 123 H LEU 123 -23.429 -9.989 12.018 962 HA LEU 123 HA LEU 123 -25.121 -8.697 13.876 963 HB2 LEU 123 2HB LEU 123 -23.502 -7.554 12.372 964 HB3 LEU 123 1HB LEU 123 -24.470 -8.011 10.998 965 HG LEU 123 HG LEU 123 -24.626 -5.600 11.693 966 HD11 LEU 123 1HD1 LEU 123 -27.045 -5.366 11.455 967 HD12 LEU 123 2HD1 LEU 123 -27.237 -7.098 11.731 968 HD13 LEU 123 3HD1 LEU 123 -26.378 -6.522 10.304 969 HD21 LEU 123 3HD2 LEU 123 -26.114 -6.728 14.045 970 HD22 LEU 123 1HD2 LEU 123 -26.015 -5.022 13.616 971 HD23 LEU 123 2HD2 LEU 123 -24.558 -5.899 14.090 972 H SER 124 H SER 124 -27.144 -9.263 14.186 973 HA SER 124 HA SER 124 -28.936 -9.374 11.943 974 HB2 SER 124 2HB SER 124 -28.791 -11.607 14.005 975 HB3 SER 124 1HB SER 124 -29.985 -11.470 12.715 976 HG SER 124 HG SER 124 -27.622 -11.245 11.615 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -3.073 -13.156 -23.182 2 H2 GLY 1 2HT GLY 1 -3.833 -13.816 -24.553 3 H3 GLY 1 3HT GLY 1 -4.557 -13.917 -23.028 4 HA2 GLY 1 1HA GLY 1 -4.036 -11.396 -24.441 5 HA3 GLY 1 2HA GLY 1 -5.601 -12.209 -24.341 6 H SER 2 H SER 2 -4.254 -9.646 -23.230 7 HA SER 2 HA SER 2 -4.657 -8.254 -21.521 8 HB2 SER 2 2HB SER 2 -6.960 -9.185 -21.404 9 HB3 SER 2 1HB SER 2 -6.384 -10.484 -20.373 10 HG SER 2 HG SER 2 -6.437 -9.218 -18.728 11 H TYR 3 H TYR 3 -4.088 -7.877 -19.254 12 HA TYR 3 HA TYR 3 -1.761 -9.411 -18.515 13 HB2 TYR 3 2HB TYR 3 -1.723 -6.932 -18.436 14 HB3 TYR 3 1HB TYR 3 -3.056 -6.952 -17.300 15 HD1 TYR 3 2HD TYR 3 -2.676 -7.563 -14.944 16 HD2 TYR 3 1HD TYR 3 0.540 -7.447 -17.727 17 HE1 TYR 3 2HE TYR 3 -1.073 -7.557 -13.080 18 HE2 TYR 3 1HE TYR 3 2.150 -7.433 -15.870 19 HH TYR 3 HH TYR 3 2.162 -6.758 -13.491 20 H ILE 4 H ILE 4 -2.051 -11.160 -17.315 21 HA ILE 4 HA ILE 4 -4.255 -11.194 -15.407 22 HB ILE 4 HB ILE 4 -2.803 -13.534 -16.706 23 HG12 ILE 4 2HG1 ILE 4 -5.639 -12.518 -17.069 24 HG13 ILE 4 1HG1 ILE 4 -4.340 -12.382 -18.242 25 HG21 ILE 4 1HG2 ILE 4 -5.113 -13.550 -14.757 26 HG22 ILE 4 2HG2 ILE 4 -3.464 -14.074 -14.418 27 HG23 ILE 4 3HG2 ILE 4 -4.452 -14.969 -15.573 28 HD11 ILE 4 3HD1 ILE 4 -5.584 -14.951 -17.275 29 HD12 ILE 4 1HD1 ILE 4 -4.293 -14.816 -18.470 30 HD13 ILE 4 2HD1 ILE 4 -5.895 -14.162 -18.821 31 HA PRO 5 HA PRO 5 -0.695 -10.828 -12.628 32 HB2 PRO 5 2HB PRO 5 -2.214 -10.561 -10.405 33 HB3 PRO 5 1HB PRO 5 -1.797 -9.183 -11.455 34 HG2 PRO 5 2HG PRO 5 -4.311 -10.774 -11.226 35 HG3 PRO 5 1HG PRO 5 -4.113 -9.049 -11.568 36 HD2 PRO 5 2HD PRO 5 -4.702 -10.901 -13.451 37 HD3 PRO 5 1HD PRO 5 -3.803 -9.410 -13.809 38 H GLY 6 H GLY 6 -0.100 -11.914 -10.578 39 HA2 GLY 6 2HA GLY 6 -0.820 -14.713 -10.568 40 HA3 GLY 6 1HA GLY 6 0.348 -13.929 -9.509 41 H GLN 7 H GLN 7 -3.017 -13.220 -10.070 42 HA GLN 7 HA GLN 7 -3.634 -12.936 -7.319 43 HB2 GLN 7 2HB GLN 7 -4.834 -11.645 -8.943 44 HB3 GLN 7 1HB GLN 7 -5.440 -13.101 -9.740 45 HG2 GLN 7 2HG GLN 7 -6.689 -13.631 -7.692 46 HG3 GLN 7 1HG GLN 7 -6.111 -12.140 -6.969 47 HE21 GLN 7 1HE2 GLN 7 -6.384 -10.633 -9.548 48 HE22 GLN 7 2HE2 GLN 7 -8.080 -10.430 -9.720 49 HA PRO 8 HA PRO 8 -4.501 -17.214 -6.605 50 HB2 PRO 8 2HB PRO 8 -5.229 -17.000 -4.009 51 HB3 PRO 8 1HB PRO 8 -3.543 -16.891 -4.523 52 HG2 PRO 8 2HG PRO 8 -5.428 -14.717 -3.740 53 HG3 PRO 8 1HG PRO 8 -3.683 -14.842 -3.465 54 HD2 PRO 8 2HD PRO 8 -4.874 -13.331 -5.494 55 HD3 PRO 8 1HD PRO 8 -3.194 -13.889 -5.463 56 H VAL 9 H VAL 9 -6.743 -16.036 -4.279 57 HA VAL 9 HA VAL 9 -9.061 -15.945 -5.962 58 HB VAL 9 HB VAL 9 -10.321 -17.692 -4.524 59 HG11 VAL 9 1HG1 VAL 9 -9.850 -18.126 -6.865 60 HG12 VAL 9 2HG1 VAL 9 -9.668 -19.600 -5.916 61 HG13 VAL 9 3HG1 VAL 9 -8.239 -18.714 -6.449 62 HG21 VAL 9 3HG2 VAL 9 -8.619 -17.980 -2.800 63 HG22 VAL 9 1HG2 VAL 9 -7.512 -18.644 -3.996 64 HG23 VAL 9 2HG2 VAL 9 -8.987 -19.522 -3.579 65 H THR 10 H THR 10 -7.846 -16.103 -2.603 66 HA THR 10 HA THR 10 -10.175 -14.845 -1.557 67 HB THR 10 HB THR 10 -8.908 -16.524 -0.316 68 HG1 THR 10 1HG THR 10 -9.819 -14.247 0.636 69 HG21 THR 10 3HG2 THR 10 -6.723 -14.444 -0.124 70 HG22 THR 10 1HG2 THR 10 -6.632 -15.989 -0.970 71 HG23 THR 10 2HG2 THR 10 -6.760 -15.954 0.789 72 H ALA 11 H ALA 11 -7.196 -13.807 -2.797 73 HA ALA 11 HA ALA 11 -7.797 -11.082 -1.929 74 HB1 ALA 11 1HB ALA 11 -5.776 -11.847 -0.855 75 HB2 ALA 11 2HB ALA 11 -5.439 -10.618 -2.101 76 HB3 ALA 11 3HB ALA 11 -5.131 -12.338 -2.432 77 H VAL 12 H VAL 12 -7.870 -9.655 -3.458 78 HA VAL 12 HA VAL 12 -7.576 -10.625 -6.205 79 HB VAL 12 HB VAL 12 -8.883 -8.023 -5.308 80 HG11 VAL 12 1HG1 VAL 12 -8.022 -7.876 -7.559 81 HG12 VAL 12 2HG1 VAL 12 -9.787 -7.918 -7.572 82 HG13 VAL 12 3HG1 VAL 12 -8.865 -9.360 -7.997 83 HG21 VAL 12 3HG2 VAL 12 -11.008 -9.106 -5.813 84 HG22 VAL 12 1HG2 VAL 12 -10.146 -9.960 -4.533 85 HG23 VAL 12 2HG2 VAL 12 -10.160 -10.610 -6.174 86 H VAL 13 H VAL 13 -5.590 -10.411 -6.826 87 HA VAL 13 HA VAL 13 -3.990 -8.121 -6.093 88 HB VAL 13 HB VAL 13 -3.351 -10.183 -8.193 89 HG11 VAL 13 1HG1 VAL 13 -1.917 -8.260 -8.200 90 HG12 VAL 13 2HG1 VAL 13 -1.013 -9.674 -7.655 91 HG13 VAL 13 3HG1 VAL 13 -1.564 -8.472 -6.485 92 HG21 VAL 13 3HG2 VAL 13 -3.916 -11.355 -6.113 93 HG22 VAL 13 1HG2 VAL 13 -2.669 -10.479 -5.250 94 HG23 VAL 13 2HG2 VAL 13 -2.221 -11.567 -6.550 95 H GLN 14 H GLN 14 -4.285 -6.305 -7.178 96 HA GLN 14 HA GLN 14 -5.040 -6.412 -10.013 97 HB2 GLN 14 2HB GLN 14 -6.586 -4.499 -9.636 98 HB3 GLN 14 1HB GLN 14 -7.072 -5.930 -8.744 99 HG2 GLN 14 2HG GLN 14 -7.297 -4.497 -6.997 100 HG3 GLN 14 1HG GLN 14 -5.551 -4.616 -6.908 101 HE21 GLN 14 1HE2 GLN 14 -4.301 -2.958 -7.734 102 HE22 GLN 14 2HE2 GLN 14 -4.961 -1.377 -7.962 103 H ARG 15 H ARG 15 -4.380 -4.460 -11.240 104 HA ARG 15 HA ARG 15 -1.867 -3.622 -10.092 105 HB2 ARG 15 2HB ARG 15 -1.063 -3.137 -12.322 106 HB3 ARG 15 1HB ARG 15 -1.728 -4.748 -12.256 107 HG2 ARG 15 2HG ARG 15 -2.465 -4.019 -14.314 108 HG3 ARG 15 1HG ARG 15 -3.837 -3.624 -13.294 109 HD2 ARG 15 2HD ARG 15 -3.338 -1.327 -13.273 110 HD3 ARG 15 1HD ARG 15 -1.686 -1.582 -13.831 111 HE ARG 15 HE ARG 15 -3.523 -2.487 -15.774 112 HH11 ARG 15 1HH1 ARG 15 -2.484 0.613 -14.425 113 HH12 ARG 15 2HH1 ARG 15 -2.454 1.457 -15.897 114 HH21 ARG 15 1HH2 ARG 15 -3.576 -1.358 -17.801 115 HH22 ARG 15 2HH2 ARG 15 -3.133 0.297 -17.892 116 H VAL 16 H VAL 16 -1.160 -1.536 -10.028 117 HA VAL 16 HA VAL 16 -3.205 0.556 -10.397 118 HB VAL 16 HB VAL 16 -0.943 0.976 -8.476 119 HG11 VAL 16 1HG1 VAL 16 -2.396 2.754 -9.138 120 HG12 VAL 16 2HG1 VAL 16 -2.267 2.475 -7.426 121 HG13 VAL 16 3HG1 VAL 16 -3.733 1.959 -8.289 122 HG21 VAL 16 3HG2 VAL 16 -3.459 -0.436 -7.618 123 HG22 VAL 16 1HG2 VAL 16 -2.152 0.107 -6.574 124 HG23 VAL 16 2HG2 VAL 16 -1.869 -1.200 -7.732 125 H GLU 17 H GLU 17 -2.208 2.616 -11.014 126 HA GLU 17 HA GLU 17 0.506 2.515 -11.964 127 HB2 GLU 17 2HB GLU 17 -0.747 1.679 -13.840 128 HB3 GLU 17 1HB GLU 17 -1.899 2.994 -13.708 129 HG2 GLU 17 2HG GLU 17 -0.288 4.569 -14.429 130 HG3 GLU 17 1HG GLU 17 0.997 3.362 -14.343 131 H ILE 18 H ILE 18 1.295 4.088 -10.952 132 HA ILE 18 HA ILE 18 -0.277 6.530 -10.638 133 HB ILE 18 HB ILE 18 1.989 5.446 -8.969 134 HG12 ILE 18 2HG1 ILE 18 0.455 6.407 -7.097 135 HG13 ILE 18 1HG1 ILE 18 -0.726 6.561 -8.386 136 HG21 ILE 18 1HG2 ILE 18 2.785 7.649 -9.511 137 HG22 ILE 18 2HG2 ILE 18 2.271 7.584 -7.823 138 HG23 ILE 18 3HG2 ILE 18 1.244 8.356 -9.024 139 HD11 ILE 18 3HD1 ILE 18 -0.952 4.583 -6.953 140 HD12 ILE 18 1HD1 ILE 18 0.564 3.995 -7.595 141 HD13 ILE 18 2HD1 ILE 18 -0.821 4.207 -8.682 142 H HIS 19 H HIS 19 0.190 8.241 -11.681 143 HA HIS 19 HA HIS 19 2.692 8.431 -13.179 144 HB2 HIS 19 2HB HIS 19 0.083 9.950 -13.312 145 HB3 HIS 19 1HB HIS 19 1.498 10.414 -14.237 146 HD1 HIS 19 1HD HIS 19 -0.481 10.024 -16.174 147 HD2 HIS 19 2HD HIS 19 1.202 6.652 -14.424 148 HE1 HIS 19 1HE HIS 19 -1.015 8.115 -17.691 149 H LYS 20 H LYS 20 4.042 10.138 -12.798 150 HA LYS 20 HA LYS 20 4.596 11.087 -10.324 151 HB2 LYS 20 2HB LYS 20 5.653 13.090 -11.320 152 HB3 LYS 20 1HB LYS 20 6.202 11.566 -11.977 153 HG2 LYS 20 2HG LYS 20 4.739 11.961 -13.944 154 HG3 LYS 20 1HG LYS 20 4.244 13.500 -13.240 155 HD2 LYS 20 2HD LYS 20 6.559 14.288 -13.317 156 HD3 LYS 20 1HD LYS 20 7.068 12.736 -13.980 157 HE2 LYS 20 2HE LYS 20 5.189 14.703 -15.295 158 HE3 LYS 20 1HE LYS 20 6.871 14.417 -15.736 159 HZ1 LYS 20 3HZ LYS 20 5.511 13.183 -17.246 160 HZ2 LYS 20 1HZ LYS 20 4.613 12.507 -15.990 161 HZ3 LYS 20 2HZ LYS 20 6.217 12.076 -16.200 162 H LEU 21 H LEU 21 3.757 12.324 -8.820 163 HA LEU 21 HA LEU 21 2.036 14.570 -9.589 164 HB2 LEU 21 2HB LEU 21 0.696 12.896 -8.497 165 HB3 LEU 21 1HB LEU 21 1.867 12.739 -7.204 166 HG LEU 21 HG LEU 21 1.399 15.089 -6.577 167 HD11 LEU 21 1HD1 LEU 21 0.456 15.916 -8.648 168 HD12 LEU 21 2HD1 LEU 21 -0.717 16.115 -7.346 169 HD13 LEU 21 3HD1 LEU 21 -0.907 14.805 -8.510 170 HD21 LEU 21 3HD2 LEU 21 -0.957 13.210 -6.468 171 HD22 LEU 21 1HD2 LEU 21 -0.712 14.603 -5.423 172 HD23 LEU 21 2HD2 LEU 21 0.406 13.240 -5.346 173 H ARG 22 H ARG 22 2.871 16.482 -8.974 174 HA ARG 22 HA ARG 22 5.003 16.449 -7.014 175 HB2 ARG 22 2HB ARG 22 4.030 18.582 -8.891 176 HB3 ARG 22 1HB ARG 22 5.177 18.917 -7.599 177 HG2 ARG 22 2HG ARG 22 6.705 17.278 -8.511 178 HG3 ARG 22 1HG ARG 22 5.559 16.913 -9.796 179 HD2 ARG 22 2HD ARG 22 5.749 19.164 -10.639 180 HD3 ARG 22 1HD ARG 22 6.794 19.594 -9.287 181 HE ARG 22 HE ARG 22 8.434 18.077 -10.137 182 HH11 ARG 22 1HH1 ARG 22 5.813 18.780 -12.382 183 HH12 ARG 22 2HH1 ARG 22 6.713 18.578 -13.806 184 HH21 ARG 22 1HH2 ARG 22 9.739 17.754 -12.096 185 HH22 ARG 22 2HH2 ARG 22 9.048 17.983 -13.628 186 H GLN 23 H GLN 23 4.614 16.727 -4.980 187 HA GLN 23 HA GLN 23 2.187 18.181 -4.250 188 HB2 GLN 23 2HB GLN 23 3.789 16.110 -2.813 189 HB3 GLN 23 1HB GLN 23 2.395 16.939 -2.095 190 HG2 GLN 23 2HG GLN 23 1.072 15.874 -4.022 191 HG3 GLN 23 1HG GLN 23 2.529 14.915 -4.308 192 HE21 GLN 23 1HE2 GLN 23 1.439 15.880 -1.126 193 HE22 GLN 23 2HE2 GLN 23 1.042 14.303 -0.576 194 H GLY 24 H GLY 24 2.988 20.183 -4.021 195 HA2 GLY 24 2HA GLY 24 4.164 21.900 -3.051 196 HA3 GLY 24 1HA GLY 24 4.770 20.734 -1.877 197 H GLU 25 H GLU 25 6.838 20.408 -1.923 198 HA GLU 25 HA GLU 25 8.382 21.294 -4.251 199 HB2 GLU 25 2HB GLU 25 9.254 20.622 -1.455 200 HB3 GLU 25 1HB GLU 25 10.259 21.352 -2.695 201 HG2 GLU 25 2HG GLU 25 8.846 23.330 -2.668 202 HG3 GLU 25 1HG GLU 25 7.830 22.592 -1.426 203 H ASN 26 H ASN 26 6.975 18.555 -3.530 204 HA ASN 26 HA ASN 26 9.367 16.852 -3.885 205 HB2 ASN 26 2HB ASN 26 6.870 15.745 -2.707 206 HB3 ASN 26 1HB ASN 26 8.529 15.234 -2.476 207 HD21 ASN 26 1HD2 ASN 26 6.072 17.278 -1.582 208 HD22 ASN 26 2HD2 ASN 26 6.705 17.969 -0.158 209 H LEU 27 H LEU 27 8.820 14.828 -4.844 210 HA LEU 27 HA LEU 27 6.591 14.919 -6.759 211 HB2 LEU 27 2HB LEU 27 9.088 14.973 -7.611 212 HB3 LEU 27 1HB LEU 27 9.177 13.356 -6.978 213 HG LEU 27 HG LEU 27 8.971 13.339 -9.384 214 HD11 LEU 27 1HD1 LEU 27 8.041 11.442 -8.245 215 HD12 LEU 27 2HD1 LEU 27 7.094 11.818 -9.685 216 HD13 LEU 27 3HD1 LEU 27 6.489 12.263 -8.086 217 HD21 LEU 27 3HD2 LEU 27 7.061 14.144 -10.557 218 HD22 LEU 27 1HD2 LEU 27 7.763 15.446 -9.617 219 HD23 LEU 27 2HD2 LEU 27 6.284 14.657 -9.055 220 H ILE 28 H ILE 28 5.083 13.571 -5.830 221 HA ILE 28 HA ILE 28 6.154 11.203 -4.477 222 HB ILE 28 HB ILE 28 3.588 12.398 -3.496 223 HG12 ILE 28 2HG1 ILE 28 6.332 13.546 -2.861 224 HG13 ILE 28 1HG1 ILE 28 4.903 14.321 -3.491 225 HG21 ILE 28 1HG2 ILE 28 4.351 11.467 -1.359 226 HG22 ILE 28 2HG2 ILE 28 5.853 10.957 -2.123 227 HG23 ILE 28 3HG2 ILE 28 4.318 10.246 -2.636 228 HD11 ILE 28 3HD1 ILE 28 5.296 14.908 -1.160 229 HD12 ILE 28 1HD1 ILE 28 5.097 13.206 -0.714 230 HD13 ILE 28 2HD1 ILE 28 3.746 14.098 -1.425 231 H LEU 29 H LEU 29 4.552 9.511 -4.371 232 HA LEU 29 HA LEU 29 3.073 9.308 -6.833 233 HB2 LEU 29 2HB LEU 29 3.803 7.399 -4.634 234 HB3 LEU 29 1HB LEU 29 2.648 6.958 -5.865 235 HG LEU 29 HG LEU 29 4.408 7.259 -7.590 236 HD11 LEU 29 1HD1 LEU 29 6.294 7.652 -5.270 237 HD12 LEU 29 2HD1 LEU 29 5.855 8.867 -6.471 238 HD13 LEU 29 3HD1 LEU 29 6.757 7.432 -6.960 239 HD21 LEU 29 3HD2 LEU 29 5.630 5.243 -7.061 240 HD22 LEU 29 1HD2 LEU 29 3.930 5.094 -6.598 241 HD23 LEU 29 2HD2 LEU 29 5.160 5.390 -5.368 242 H GLY 30 H GLY 30 2.381 10.769 -4.131 243 HA2 GLY 30 2HA GLY 30 0.284 11.680 -3.628 244 HA3 GLY 30 1HA GLY 30 -0.457 10.370 -4.528 245 H PHE 31 H PHE 31 0.761 8.218 -3.217 246 HA PHE 31 HA PHE 31 -0.831 8.297 -0.793 247 HB2 PHE 31 2HB PHE 31 -0.982 5.909 -0.980 248 HB3 PHE 31 1HB PHE 31 -1.341 6.641 -2.526 249 HD1 PHE 31 2HD PHE 31 0.293 6.493 -4.348 250 HD2 PHE 31 1HD PHE 31 0.761 4.409 -0.709 251 HE1 PHE 31 2HE PHE 31 1.885 4.981 -5.436 252 HE2 PHE 31 1HE PHE 31 2.344 2.875 -1.757 253 HZ PHE 31 HZ PHE 31 2.940 3.162 -4.140 254 H SER 32 H SER 32 -0.032 6.613 0.925 255 HA SER 32 HA SER 32 2.825 6.782 1.437 256 HB2 SER 32 2HB SER 32 0.617 7.622 3.302 257 HB3 SER 32 1HB SER 32 2.302 7.414 3.752 258 HG SER 32 HG SER 32 2.388 8.962 1.669 259 H ILE 33 H ILE 33 3.238 5.316 3.542 260 HA ILE 33 HA ILE 33 1.560 2.905 3.280 261 HB ILE 33 HB ILE 33 3.403 1.475 3.152 262 HG12 ILE 33 2HG1 ILE 33 5.218 3.846 3.764 263 HG13 ILE 33 1HG1 ILE 33 4.831 2.512 4.850 264 HG21 ILE 33 1HG2 ILE 33 2.926 2.546 1.057 265 HG22 ILE 33 2HG2 ILE 33 4.679 2.322 1.218 266 HG23 ILE 33 3HG2 ILE 33 3.976 3.896 1.480 267 HD11 ILE 33 3HD1 ILE 33 6.533 2.367 2.367 268 HD12 ILE 33 1HD1 ILE 33 5.896 0.973 3.258 269 HD13 ILE 33 2HD1 ILE 33 6.983 2.113 4.046 270 H GLY 34 H GLY 34 1.997 1.340 5.023 271 HA2 GLY 34 2HA GLY 34 2.289 2.844 7.522 272 HA3 GLY 34 1HA GLY 34 1.313 1.384 7.339 273 H GLY 35 H GLY 35 3.382 0.131 5.685 274 HA2 GLY 35 2HA GLY 35 5.824 -0.299 6.339 275 HA3 GLY 35 1HA GLY 35 5.177 -0.486 7.902 276 H GLY 36 H GLY 36 6.584 -2.472 6.717 277 HA2 GLY 36 2HA GLY 36 4.546 -4.447 6.037 278 HA3 GLY 36 1HA GLY 36 6.218 -4.503 5.498 279 H ILE 37 H ILE 37 7.477 -5.853 6.526 280 HA ILE 37 HA ILE 37 6.463 -7.277 8.737 281 HB ILE 37 HB ILE 37 8.455 -8.603 8.780 282 HG12 ILE 37 2HG1 ILE 37 10.112 -6.739 8.596 283 HG13 ILE 37 1HG1 ILE 37 10.522 -8.104 7.538 284 HG21 ILE 37 1HG2 ILE 37 6.939 -9.101 7.015 285 HG22 ILE 37 2HG2 ILE 37 8.601 -9.357 6.472 286 HG23 ILE 37 3HG2 ILE 37 7.716 -7.912 5.967 287 HD11 ILE 37 3HD1 ILE 37 10.958 -5.993 6.489 288 HD12 ILE 37 1HD1 ILE 37 9.346 -5.427 6.870 289 HD13 ILE 37 2HD1 ILE 37 9.564 -6.715 5.689 290 H ASP 38 H ASP 38 8.389 -4.571 8.455 291 HA ASP 38 HA ASP 38 9.777 -4.624 10.907 292 HB2 ASP 38 2HB ASP 38 10.512 -3.264 9.075 293 HB3 ASP 38 1HB ASP 38 8.990 -2.395 9.040 294 H GLN 39 H GLN 39 6.559 -4.135 10.155 295 HA GLN 39 HA GLN 39 6.003 -2.701 12.666 296 HB2 GLN 39 2HB GLN 39 3.832 -3.124 10.663 297 HB3 GLN 39 1HB GLN 39 4.178 -1.697 11.597 298 HG2 GLN 39 2HG GLN 39 5.677 -2.540 9.209 299 HG3 GLN 39 1HG GLN 39 4.432 -1.297 9.313 300 HE21 GLN 39 1HE2 GLN 39 7.309 -1.416 8.689 301 HE22 GLN 39 2HE2 GLN 39 8.075 -0.195 9.623 302 H ASP 40 H ASP 40 4.268 -3.682 13.985 303 HA ASP 40 HA ASP 40 4.217 -6.643 13.768 304 HB2 ASP 40 2HB ASP 40 4.591 -5.187 16.046 305 HB3 ASP 40 1HB ASP 40 2.899 -5.118 15.904 306 HA PRO 41 HA PRO 41 0.254 -6.260 11.812 307 HB2 PRO 41 2HB PRO 41 -0.587 -8.848 12.213 308 HB3 PRO 41 1HB PRO 41 0.457 -8.315 10.890 309 HG2 PRO 41 2HG PRO 41 1.196 -9.597 13.492 310 HG3 PRO 41 1HG PRO 41 1.858 -9.893 11.874 311 HD2 PRO 41 2HD PRO 41 3.158 -8.407 13.677 312 HD3 PRO 41 1HD PRO 41 3.201 -8.001 11.948 313 H SER 42 H SER 42 0.668 -7.383 15.078 314 HA SER 42 HA SER 42 -2.099 -7.581 15.741 315 HB2 SER 42 2HB SER 42 0.149 -7.036 17.673 316 HB3 SER 42 1HB SER 42 -1.327 -7.969 17.941 317 HG SER 42 HG SER 42 1.043 -8.624 16.728 318 H GLN 43 H GLN 43 0.176 -4.983 15.463 319 HA GLN 43 HA GLN 43 -1.710 -3.118 16.739 320 HB2 GLN 43 2HB GLN 43 0.300 -1.746 17.346 321 HB3 GLN 43 1HB GLN 43 0.211 -3.279 18.199 322 HG2 GLN 43 2HG GLN 43 1.710 -3.724 15.942 323 HG3 GLN 43 1HG GLN 43 2.169 -2.106 16.442 324 HE21 GLN 43 1HE2 GLN 43 1.145 -4.739 18.491 325 HE22 GLN 43 2HE2 GLN 43 2.588 -4.833 19.437 326 H ASN 44 H ASN 44 -0.900 -4.085 13.939 327 HA ASN 44 HA ASN 44 -0.288 -1.534 12.658 328 HB2 ASN 44 2HB ASN 44 -0.662 -4.301 11.609 329 HB3 ASN 44 1HB ASN 44 -0.549 -2.907 10.535 330 HD21 ASN 44 1HD2 ASN 44 1.215 -5.061 10.490 331 HD22 ASN 44 2HD2 ASN 44 2.762 -4.526 11.020 332 HA PRO 45 HA PRO 45 -4.400 -0.413 11.962 333 HB2 PRO 45 2HB PRO 45 -4.156 1.173 9.782 334 HB3 PRO 45 1HB PRO 45 -3.590 1.620 11.398 335 HG2 PRO 45 2HG PRO 45 -2.022 0.568 9.078 336 HG3 PRO 45 1HG PRO 45 -1.617 1.885 10.193 337 HD2 PRO 45 2HD PRO 45 -0.608 -0.625 10.422 338 HD3 PRO 45 1HD PRO 45 -0.879 0.452 11.804 339 H PHE 46 H PHE 46 -2.795 -1.347 8.917 340 HA PHE 46 HA PHE 46 -5.357 -2.505 8.047 341 HB2 PHE 46 2HB PHE 46 -3.071 -1.490 6.344 342 HB3 PHE 46 1HB PHE 46 -4.604 -2.122 5.746 343 HD1 PHE 46 1HD PHE 46 -6.714 -0.870 6.225 344 HD2 PHE 46 2HD PHE 46 -2.869 0.725 7.071 345 HE1 PHE 46 1HE PHE 46 -7.686 1.385 6.378 346 HE2 PHE 46 2HE PHE 46 -3.825 2.966 7.225 347 HZ PHE 46 HZ PHE 46 -6.225 3.317 6.875 348 H SER 47 H SER 47 -3.199 -3.642 9.653 349 HA SER 47 HA SER 47 -2.783 -6.048 8.016 350 HB2 SER 47 2HB SER 47 -0.773 -4.305 8.707 351 HB3 SER 47 1HB SER 47 -0.676 -5.530 9.952 352 HG SER 47 HG SER 47 -0.516 -7.135 8.305 353 H GLU 48 H GLU 48 -4.532 -4.993 10.350 354 HA GLU 48 HA GLU 48 -3.687 -6.820 12.448 355 HB2 GLU 48 2HB GLU 48 -5.427 -5.824 13.832 356 HB3 GLU 48 1HB GLU 48 -4.272 -4.641 13.226 357 HG2 GLU 48 2HG GLU 48 -5.896 -3.820 11.645 358 HG3 GLU 48 1HG GLU 48 -7.032 -5.096 12.090 359 H ASP 49 H ASP 49 -5.316 -7.134 9.801 360 HA ASP 49 HA ASP 49 -7.693 -8.535 10.368 361 HB2 ASP 49 2HB ASP 49 -5.732 -9.112 8.123 362 HB3 ASP 49 1HB ASP 49 -7.414 -9.595 8.192 363 H LYS 50 H LYS 50 -4.469 -9.731 9.639 364 HA LYS 50 HA LYS 50 -4.757 -12.012 11.396 365 HB2 LYS 50 2HB LYS 50 -3.982 -12.214 8.444 366 HB3 LYS 50 1HB LYS 50 -3.869 -13.535 9.592 367 HG2 LYS 50 2HG LYS 50 -6.446 -12.179 8.775 368 HG3 LYS 50 1HG LYS 50 -5.851 -13.696 8.105 369 HD2 LYS 50 2HD LYS 50 -6.104 -14.813 10.197 370 HD3 LYS 50 1HD LYS 50 -6.354 -13.296 11.055 371 HE2 LYS 50 2HE LYS 50 -8.460 -14.499 10.782 372 HE3 LYS 50 1HE LYS 50 -8.486 -12.982 9.897 373 HZ1 LYS 50 3HZ LYS 50 -8.033 -15.674 8.731 374 HZ2 LYS 50 1HZ LYS 50 -8.129 -14.217 7.844 375 HZ3 LYS 50 2HZ LYS 50 -9.460 -14.828 8.699 376 H THR 51 H THR 51 -2.277 -13.135 11.035 377 HA THR 51 HA THR 51 -0.621 -10.953 11.934 378 HB THR 51 HB THR 51 0.986 -12.876 12.407 379 HG1 THR 51 1HG THR 51 -0.905 -14.766 12.484 380 HG21 THR 51 3HG2 THR 51 -0.296 -13.603 14.377 381 HG22 THR 51 1HG2 THR 51 -1.762 -12.924 13.673 382 HG23 THR 51 2HG2 THR 51 -0.434 -11.861 14.137 383 H ASP 52 H ASP 52 -1.326 -11.256 9.164 384 HA ASP 52 HA ASP 52 1.073 -12.029 7.712 385 HB2 ASP 52 2HB ASP 52 -1.132 -12.658 6.883 386 HB3 ASP 52 1HB ASP 52 -1.590 -10.973 6.798 387 H LYS 53 H LYS 53 2.633 -10.640 7.389 388 HA LYS 53 HA LYS 53 2.246 -7.775 7.773 389 HB2 LYS 53 2HB LYS 53 4.734 -9.468 7.442 390 HB3 LYS 53 1HB LYS 53 4.744 -7.707 7.592 391 HG2 LYS 53 2HG LYS 53 4.102 -7.756 9.812 392 HG3 LYS 53 1HG LYS 53 3.410 -9.374 9.688 393 HD2 LYS 53 2HD LYS 53 5.469 -10.397 9.713 394 HD3 LYS 53 1HD LYS 53 6.400 -8.973 9.357 395 HE2 LYS 53 2HE LYS 53 5.751 -8.049 11.548 396 HE3 LYS 53 1HE LYS 53 4.884 -9.550 11.916 397 HZ1 LYS 53 3HZ LYS 53 7.018 -10.725 11.752 398 HZ2 LYS 53 1HZ LYS 53 7.093 -9.506 12.910 399 HZ3 LYS 53 2HZ LYS 53 7.810 -9.273 11.420 400 H GLY 54 H GLY 54 3.748 -6.441 6.245 401 HA2 GLY 54 2HA GLY 54 4.633 -6.681 3.791 402 HA3 GLY 54 1HA GLY 54 2.932 -7.029 3.471 403 H ILE 55 H ILE 55 4.303 -4.829 2.380 404 HA ILE 55 HA ILE 55 3.697 -2.500 3.948 405 HB ILE 55 HB ILE 55 4.607 -2.783 1.055 406 HG12 ILE 55 2HG1 ILE 55 6.170 -3.560 2.871 407 HG13 ILE 55 1HG1 ILE 55 6.817 -2.294 1.841 408 HG21 ILE 55 1HG2 ILE 55 4.367 -0.316 2.794 409 HG22 ILE 55 2HG2 ILE 55 3.441 -0.652 1.344 410 HG23 ILE 55 3HG2 ILE 55 5.181 -0.352 1.231 411 HD11 ILE 55 3HD1 ILE 55 5.531 -1.734 4.462 412 HD12 ILE 55 1HD1 ILE 55 6.527 -0.690 3.482 413 HD13 ILE 55 2HD1 ILE 55 7.262 -2.079 4.295 414 H TYR 56 H TYR 56 1.953 -1.330 3.902 415 HA TYR 56 HA TYR 56 0.053 -1.690 1.757 416 HB2 TYR 56 2HB TYR 56 -1.729 -1.370 3.632 417 HB3 TYR 56 1HB TYR 56 -1.042 -2.967 3.347 418 HD1 TYR 56 1HD TYR 56 -0.853 0.002 5.561 419 HD2 TYR 56 2HD TYR 56 0.212 -4.034 4.906 420 HE1 TYR 56 1HE TYR 56 -0.015 -0.143 7.850 421 HE2 TYR 56 2HE TYR 56 1.073 -4.223 7.088 422 HH TYR 56 HH TYR 56 1.905 -2.698 8.869 423 H VAL 57 H VAL 57 -1.360 -0.032 1.583 424 HA VAL 57 HA VAL 57 -0.060 2.490 1.941 425 HB VAL 57 HB VAL 57 -1.061 1.825 -0.220 426 HG11 VAL 57 1HG1 VAL 57 -3.588 1.810 1.260 427 HG12 VAL 57 2HG1 VAL 57 -2.795 0.459 0.445 428 HG13 VAL 57 3HG1 VAL 57 -3.456 1.806 -0.490 429 HG21 VAL 57 3HG2 VAL 57 -0.897 4.198 0.386 430 HG22 VAL 57 1HG2 VAL 57 -2.531 4.111 1.017 431 HG23 VAL 57 2HG2 VAL 57 -2.239 3.849 -0.705 432 H THR 58 H THR 58 -0.624 4.035 3.364 433 HA THR 58 HA THR 58 -2.964 3.567 5.065 434 HB THR 58 HB THR 58 -1.711 5.134 6.628 435 HG1 THR 58 1HG THR 58 0.257 5.721 6.109 436 HG21 THR 58 3HG2 THR 58 -0.426 2.493 5.889 437 HG22 THR 58 1HG2 THR 58 -1.806 2.696 6.966 438 HG23 THR 58 2HG2 THR 58 -0.227 3.338 7.421 439 H ARG 59 H ARG 59 -1.511 5.759 2.843 440 HA ARG 59 HA ARG 59 -3.768 7.645 3.182 441 HB2 ARG 59 2HB ARG 59 -1.325 8.385 4.017 442 HB3 ARG 59 1HB ARG 59 -1.114 8.443 2.280 443 HG2 ARG 59 2HG ARG 59 -2.901 10.037 2.000 444 HG3 ARG 59 1HG ARG 59 -3.128 10.091 3.751 445 HD2 ARG 59 2HD ARG 59 -0.628 10.868 2.250 446 HD3 ARG 59 1HD ARG 59 -1.785 11.976 2.985 447 HE ARG 59 HE ARG 59 -1.013 10.390 5.040 448 HH11 ARG 59 1HH1 ARG 59 0.847 12.313 2.708 449 HH12 ARG 59 2HH1 ARG 59 2.074 12.691 3.810 450 HH21 ARG 59 1HH2 ARG 59 0.661 10.897 6.521 451 HH22 ARG 59 2HH2 ARG 59 1.976 11.872 6.060 452 H VAL 60 H VAL 60 -4.413 8.402 1.166 453 HA VAL 60 HA VAL 60 -2.832 7.697 -1.138 454 HB VAL 60 HB VAL 60 -5.788 6.824 -0.861 455 HG11 VAL 60 1HG1 VAL 60 -5.954 6.393 -3.148 456 HG12 VAL 60 2HG1 VAL 60 -4.376 7.130 -3.427 457 HG13 VAL 60 3HG1 VAL 60 -5.720 8.116 -2.835 458 HG21 VAL 60 3HG2 VAL 60 -4.959 4.753 -1.768 459 HG22 VAL 60 1HG2 VAL 60 -4.141 5.194 -0.266 460 HG23 VAL 60 2HG2 VAL 60 -3.330 5.446 -1.808 461 H SER 61 H SER 61 -3.224 9.102 -2.908 462 HA SER 61 HA SER 61 -3.451 11.733 -2.350 463 HB2 SER 61 2HB SER 61 -3.931 11.752 -4.790 464 HB3 SER 61 1HB SER 61 -2.447 10.882 -4.326 465 HG SER 61 HG SER 61 -4.905 9.600 -4.447 466 H GLU 62 H GLU 62 -5.168 12.910 -1.932 467 HA GLU 62 HA GLU 62 -7.770 11.923 -1.690 468 HB2 GLU 62 2HB GLU 62 -8.340 14.349 -1.293 469 HB3 GLU 62 1HB GLU 62 -7.048 13.692 -0.291 470 HG2 GLU 62 2HG GLU 62 -5.397 14.701 -1.835 471 HG3 GLU 62 1HG GLU 62 -6.729 15.419 -2.728 472 H GLY 63 H GLY 63 -6.097 13.236 -4.328 473 HA2 GLY 63 2HA GLY 63 -8.166 12.641 -6.172 474 HA3 GLY 63 1HA GLY 63 -7.960 14.384 -5.979 475 H GLY 64 H GLY 64 -5.781 11.636 -6.002 476 HA2 GLY 64 2HA GLY 64 -4.179 13.000 -8.060 477 HA3 GLY 64 1HA GLY 64 -3.444 12.324 -6.613 478 HA PRO 65 HA PRO 65 -3.166 9.463 -10.239 479 HB2 PRO 65 2HB PRO 65 -0.750 8.428 -9.567 480 HB3 PRO 65 1HB PRO 65 -0.938 9.899 -10.512 481 HG2 PRO 65 2HG PRO 65 -0.352 9.581 -7.606 482 HG3 PRO 65 1HG PRO 65 0.314 10.747 -8.759 483 HD2 PRO 65 2HD PRO 65 -1.603 11.357 -6.982 484 HD3 PRO 65 1HD PRO 65 -1.519 12.153 -8.568 485 H ALA 66 H ALA 66 -2.433 8.793 -6.909 486 HA ALA 66 HA ALA 66 -2.467 6.014 -7.058 487 HB1 ALA 66 1HB ALA 66 -1.511 7.177 -5.174 488 HB2 ALA 66 2HB ALA 66 -2.777 6.090 -4.591 489 HB3 ALA 66 3HB ALA 66 -3.080 7.829 -4.743 490 H GLU 67 H GLU 67 -5.134 8.194 -5.974 491 HA GLU 67 HA GLU 67 -6.916 5.969 -6.122 492 HB2 GLU 67 2HB GLU 67 -8.767 7.499 -5.748 493 HB3 GLU 67 1HB GLU 67 -7.491 7.692 -4.565 494 HG2 GLU 67 2HG GLU 67 -6.963 9.794 -5.299 495 HG3 GLU 67 1HG GLU 67 -7.578 9.539 -6.923 496 H ILE 68 H ILE 68 -5.982 8.412 -8.405 497 HA ILE 68 HA ILE 68 -8.045 8.092 -10.237 498 HB ILE 68 HB ILE 68 -5.144 8.779 -10.583 499 HG12 ILE 68 2HG1 ILE 68 -6.437 10.514 -9.528 500 HG13 ILE 68 1HG1 ILE 68 -6.020 11.031 -11.153 501 HG21 ILE 68 1HG2 ILE 68 -5.578 9.443 -12.928 502 HG22 ILE 68 2HG2 ILE 68 -7.190 8.738 -12.802 503 HG23 ILE 68 3HG2 ILE 68 -5.765 7.708 -12.663 504 HD11 ILE 68 3HD1 ILE 68 -8.699 9.977 -10.264 505 HD12 ILE 68 1HD1 ILE 68 -8.284 10.471 -11.906 506 HD13 ILE 68 2HD1 ILE 68 -8.287 11.650 -10.595 507 H ALA 69 H ALA 69 -5.089 6.247 -9.821 508 HA ALA 69 HA ALA 69 -5.750 4.472 -11.962 509 HB1 ALA 69 1HB ALA 69 -3.431 4.865 -11.316 510 HB2 ALA 69 2HB ALA 69 -3.906 3.169 -11.190 511 HB3 ALA 69 3HB ALA 69 -3.788 4.163 -9.730 512 H GLY 70 H GLY 70 -5.621 4.044 -8.428 513 HA2 GLY 70 2HA GLY 70 -7.978 3.014 -7.857 514 HA3 GLY 70 1HA GLY 70 -7.298 1.663 -8.746 515 H LEU 71 H LEU 71 -5.459 3.772 -6.689 516 HA LEU 71 HA LEU 71 -4.882 1.530 -4.933 517 HB2 LEU 71 2HB LEU 71 -3.025 2.830 -5.788 518 HB3 LEU 71 1HB LEU 71 -3.716 4.305 -5.171 519 HG LEU 71 HG LEU 71 -2.798 3.951 -3.034 520 HD11 LEU 71 1HD1 LEU 71 -2.258 1.665 -2.205 521 HD12 LEU 71 2HD1 LEU 71 -2.693 0.973 -3.771 522 HD13 LEU 71 3HD1 LEU 71 -3.941 1.672 -2.740 523 HD21 LEU 71 3HD2 LEU 71 -0.619 3.036 -3.356 524 HD22 LEU 71 1HD2 LEU 71 -1.088 4.038 -4.723 525 HD23 LEU 71 2HD2 LEU 71 -1.121 2.276 -4.864 526 H GLN 72 H GLN 72 -6.109 1.202 -3.198 527 HA GLN 72 HA GLN 72 -7.507 3.503 -2.075 528 HB2 GLN 72 2HB GLN 72 -8.230 0.566 -1.948 529 HB3 GLN 72 1HB GLN 72 -9.142 1.903 -1.253 530 HG2 GLN 72 2HG GLN 72 -8.624 1.505 -4.181 531 HG3 GLN 72 1HG GLN 72 -10.114 1.074 -3.340 532 HE21 GLN 72 1HE2 GLN 72 -8.062 3.667 -4.313 533 HE22 GLN 72 2HE2 GLN 72 -9.221 4.926 -4.271 534 H ILE 73 H ILE 73 -7.350 3.822 0.029 535 HA ILE 73 HA ILE 73 -5.078 3.010 1.438 536 HB ILE 73 HB ILE 73 -7.700 4.056 2.526 537 HG12 ILE 73 2HG1 ILE 73 -5.080 5.436 1.975 538 HG13 ILE 73 1HG1 ILE 73 -6.535 5.579 0.990 539 HG21 ILE 73 1HG2 ILE 73 -6.463 4.632 4.559 540 HG22 ILE 73 2HG2 ILE 73 -5.026 3.848 3.900 541 HG23 ILE 73 3HG2 ILE 73 -6.456 2.888 4.279 542 HD11 ILE 73 3HD1 ILE 73 -6.264 6.399 3.861 543 HD12 ILE 73 1HD1 ILE 73 -7.690 6.608 2.849 544 HD13 ILE 73 2HD1 ILE 73 -6.205 7.491 2.466 545 H GLY 74 H GLY 74 -4.589 1.169 2.604 546 HA2 GLY 74 2HA GLY 74 -5.260 -0.621 4.034 547 HA3 GLY 74 1HA GLY 74 -6.831 -0.611 3.244 548 H ASP 75 H ASP 75 -4.771 -0.216 0.748 549 HA ASP 75 HA ASP 75 -4.814 -3.045 0.149 550 HB2 ASP 75 2HB ASP 75 -4.352 -0.597 -1.475 551 HB3 ASP 75 1HB ASP 75 -3.747 -2.144 -2.055 552 H LYS 76 H LYS 76 -3.279 -4.355 0.118 553 HA LYS 76 HA LYS 76 -0.722 -3.436 1.140 554 HB2 LYS 76 2HB LYS 76 -1.627 -6.275 0.578 555 HB3 LYS 76 1HB LYS 76 -0.180 -5.787 1.449 556 HG2 LYS 76 2HG LYS 76 -1.655 -4.727 3.173 557 HG3 LYS 76 1HG LYS 76 -3.036 -5.415 2.329 558 HD2 LYS 76 2HD LYS 76 -2.437 -6.786 4.216 559 HD3 LYS 76 1HD LYS 76 -2.089 -7.668 2.729 560 HE2 LYS 76 2HE LYS 76 0.258 -7.180 2.936 561 HE3 LYS 76 1HE LYS 76 -0.041 -6.105 4.300 562 HZ1 LYS 76 3HZ LYS 76 -0.679 -7.992 5.634 563 HZ2 LYS 76 1HZ LYS 76 0.795 -8.310 4.924 564 HZ3 LYS 76 2HZ LYS 76 -0.548 -9.060 4.337 565 H ILE 77 H ILE 77 1.028 -3.254 -0.082 566 HA ILE 77 HA ILE 77 0.587 -3.630 -2.935 567 HB ILE 77 HB ILE 77 2.934 -2.201 -1.642 568 HG12 ILE 77 2HG1 ILE 77 1.812 -0.072 -2.553 569 HG13 ILE 77 1HG1 ILE 77 0.335 -0.999 -2.667 570 HG21 ILE 77 1HG2 ILE 77 1.853 -2.227 -4.450 571 HG22 ILE 77 2HG2 ILE 77 3.329 -3.006 -3.875 572 HG23 ILE 77 3HG2 ILE 77 3.200 -1.244 -3.882 573 HD11 ILE 77 3HD1 ILE 77 0.384 0.360 -0.681 574 HD12 ILE 77 1HD1 ILE 77 1.883 -0.413 -0.165 575 HD13 ILE 77 2HD1 ILE 77 0.392 -1.353 -0.265 576 H MET 78 H MET 78 1.463 -5.270 -3.928 577 HA MET 78 HA MET 78 3.488 -6.726 -2.440 578 HB2 MET 78 2HB MET 78 1.534 -7.739 -4.490 579 HB3 MET 78 1HB MET 78 2.822 -8.718 -3.795 580 HG2 MET 78 2HG MET 78 0.605 -7.381 -2.257 581 HG3 MET 78 1HG MET 78 0.710 -9.100 -2.648 582 HE1 MET 78 3HE MET 78 1.419 -8.597 1.276 583 HE2 MET 78 1HE MET 78 0.275 -9.313 0.123 584 HE3 MET 78 2HE MET 78 0.444 -7.555 0.250 585 H GLN 79 H GLN 79 3.103 -4.841 -5.219 586 HA GLN 79 HA GLN 79 5.796 -5.415 -6.047 587 HB2 GLN 79 2HB GLN 79 4.441 -7.191 -7.153 588 HB3 GLN 79 1HB GLN 79 3.449 -5.966 -7.886 589 HG2 GLN 79 2HG GLN 79 6.371 -6.112 -8.494 590 HG3 GLN 79 1HG GLN 79 5.239 -7.210 -9.270 591 HE21 GLN 79 1HE2 GLN 79 6.417 -4.072 -9.066 592 HE22 GLN 79 2HE2 GLN 79 5.467 -3.387 -10.390 593 H VAL 80 H VAL 80 6.763 -3.628 -7.034 594 HA VAL 80 HA VAL 80 5.112 -1.271 -7.659 595 HB VAL 80 HB VAL 80 7.398 -1.230 -5.639 596 HG11 VAL 80 1HG1 VAL 80 7.638 0.691 -7.013 597 HG12 VAL 80 2HG1 VAL 80 6.974 1.200 -5.453 598 HG13 VAL 80 3HG1 VAL 80 5.930 1.083 -6.870 599 HG21 VAL 80 3HG2 VAL 80 5.700 -0.249 -4.138 600 HG22 VAL 80 1HG2 VAL 80 5.368 -1.913 -4.618 601 HG23 VAL 80 2HG2 VAL 80 4.483 -0.607 -5.372 602 H ASN 81 H ASN 81 5.746 -0.729 -9.637 603 HA ASN 81 HA ASN 81 6.924 0.071 -11.333 604 HB2 ASN 81 2HB ASN 81 7.950 1.396 -9.345 605 HB3 ASN 81 1HB ASN 81 9.379 0.416 -9.634 606 HD21 ASN 81 1HD2 ASN 81 7.238 1.480 -12.212 607 HD22 ASN 81 2HD2 ASN 81 8.247 2.641 -12.894 608 H GLY 82 H GLY 82 7.311 -2.788 -10.375 609 HA2 GLY 82 2HA GLY 82 7.994 -4.423 -11.959 610 HA3 GLY 82 1HA GLY 82 9.475 -3.487 -12.267 611 H TRP 83 H TRP 83 9.303 -3.088 -9.214 612 HA TRP 83 HA TRP 83 10.821 -5.454 -8.516 613 HB2 TRP 83 2HB TRP 83 12.000 -3.883 -7.331 614 HB3 TRP 83 1HB TRP 83 10.831 -2.669 -7.809 615 HD1 TRP 83 HD TRP 83 8.577 -2.635 -6.044 616 HE1 TRP 83 1HE TRP 83 8.673 -2.599 -3.437 617 HE3 TRP 83 3HE TRP 83 13.281 -4.490 -5.319 618 HZ2 TRP 83 2HZ TRP 83 10.412 -3.203 -1.457 619 HZ3 TRP 83 3HZ TRP 83 14.092 -4.713 -2.996 620 HH2 TRP 83 HH TRP 83 12.677 -4.071 -1.098 621 H ASP 84 H ASP 84 10.166 -6.762 -6.789 622 HA ASP 84 HA ASP 84 7.313 -6.655 -6.239 623 HB2 ASP 84 2HB ASP 84 9.279 -8.933 -5.882 624 HB3 ASP 84 1HB ASP 84 7.647 -8.940 -5.221 625 H MET 85 H MET 85 6.707 -5.791 -4.570 626 HA MET 85 HA MET 85 8.561 -4.874 -2.597 627 HB2 MET 85 2HB MET 85 6.945 -3.302 -3.354 628 HB3 MET 85 1HB MET 85 5.630 -4.420 -3.070 629 HG2 MET 85 2HG MET 85 5.628 -4.069 -0.800 630 HG3 MET 85 1HG MET 85 7.303 -3.533 -0.789 631 HE1 MET 85 3HE MET 85 7.506 -1.316 -3.017 632 HE2 MET 85 1HE MET 85 8.139 -1.229 -1.369 633 HE3 MET 85 2HE MET 85 7.157 0.082 -2.008 634 H THR 86 H THR 86 5.583 -6.651 -2.554 635 HA THR 86 HA THR 86 4.488 -7.437 -0.699 636 HB THR 86 HB THR 86 4.730 -9.135 -2.290 637 HG1 THR 86 1HG THR 86 3.915 -9.826 -0.414 638 HG21 THR 86 3HG2 THR 86 7.162 -9.010 -2.634 639 HG22 THR 86 1HG2 THR 86 6.601 -10.680 -2.476 640 HG23 THR 86 2HG2 THR 86 7.417 -9.906 -1.127 641 H MET 87 H MET 87 7.721 -8.594 0.069 642 HA MET 87 HA MET 87 7.166 -8.118 2.888 643 HB2 MET 87 2HB MET 87 7.289 -10.537 2.369 644 HB3 MET 87 1HB MET 87 8.861 -10.296 1.623 645 HG2 MET 87 2HG MET 87 9.781 -9.610 3.773 646 HG3 MET 87 1HG MET 87 8.198 -9.828 4.511 647 HE1 MET 87 3HE MET 87 10.292 -12.752 6.032 648 HE2 MET 87 1HE MET 87 9.258 -11.368 6.373 649 HE3 MET 87 2HE MET 87 10.842 -11.123 5.642 650 H VAL 88 H VAL 88 8.047 -6.161 2.886 651 HA VAL 88 HA VAL 88 10.962 -5.925 2.745 652 HB VAL 88 HB VAL 88 10.098 -5.280 0.490 653 HG11 VAL 88 1HG1 VAL 88 8.801 -3.187 0.318 654 HG12 VAL 88 2HG1 VAL 88 8.508 -3.311 2.057 655 HG13 VAL 88 3HG1 VAL 88 7.894 -4.551 0.983 656 HG21 VAL 88 3HG2 VAL 88 12.098 -4.179 1.248 657 HG22 VAL 88 1HG2 VAL 88 11.140 -3.023 2.170 658 HG23 VAL 88 2HG2 VAL 88 11.078 -3.002 0.419 659 H THR 89 H THR 89 11.729 -4.166 4.037 660 HA THR 89 HA THR 89 10.065 -3.521 6.195 661 HB THR 89 HB THR 89 12.011 -1.874 6.647 662 HG1 THR 89 1HG THR 89 13.916 -3.040 5.487 663 HG21 THR 89 3HG2 THR 89 12.638 -4.824 6.553 664 HG22 THR 89 1HG2 THR 89 11.611 -4.047 7.763 665 HG23 THR 89 2HG2 THR 89 13.311 -3.614 7.659 666 H HIS 90 H HIS 90 9.371 -1.512 6.801 667 HA HIS 90 HA HIS 90 7.997 0.077 5.004 668 HB2 HIS 90 2HB HIS 90 7.680 0.077 7.445 669 HB3 HIS 90 1HB HIS 90 9.216 0.870 7.674 670 HD1 HIS 90 1HD HIS 90 5.717 1.617 7.647 671 HD2 HIS 90 2HD HIS 90 9.088 3.549 6.199 672 HE1 HIS 90 1HE HIS 90 4.980 3.880 7.075 673 H ASP 91 H ASP 91 11.183 0.467 6.366 674 HA ASP 91 HA ASP 91 11.940 2.933 5.363 675 HB2 ASP 91 2HB ASP 91 13.053 1.630 7.131 676 HB3 ASP 91 1HB ASP 91 13.610 0.521 5.915 677 H GLN 92 H GLN 92 12.500 -0.303 4.066 678 HA GLN 92 HA GLN 92 13.918 0.670 1.788 679 HB2 GLN 92 2HB GLN 92 13.157 -1.953 2.855 680 HB3 GLN 92 1HB GLN 92 13.160 -1.895 1.112 681 HG2 GLN 92 2HG GLN 92 15.317 -2.658 2.029 682 HG3 GLN 92 1HG GLN 92 15.478 -1.197 1.069 683 HE21 GLN 92 1HE2 GLN 92 14.352 -1.372 4.402 684 HE22 GLN 92 2HE2 GLN 92 15.646 -0.423 5.046 685 H ALA 93 H ALA 93 10.635 -0.275 2.380 686 HA ALA 93 HA ALA 93 9.691 -0.225 -0.270 687 HB1 ALA 93 1HB ALA 93 8.156 0.376 2.251 688 HB2 ALA 93 2HB ALA 93 8.520 -1.221 1.632 689 HB3 ALA 93 3HB ALA 93 7.487 -0.136 0.702 690 H ARG 94 H ARG 94 9.912 2.242 2.215 691 HA ARG 94 HA ARG 94 8.494 4.294 1.001 692 HB2 ARG 94 2HB ARG 94 10.772 4.219 2.891 693 HB3 ARG 94 1HB ARG 94 10.151 5.815 2.394 694 HG2 ARG 94 2HG ARG 94 8.739 3.566 3.797 695 HG3 ARG 94 1HG ARG 94 9.380 5.019 4.551 696 HD2 ARG 94 2HD ARG 94 7.330 5.135 2.376 697 HD3 ARG 94 1HD ARG 94 6.883 4.894 4.068 698 HE ARG 94 HE ARG 94 8.459 7.221 3.220 699 HH11 ARG 94 1HH1 ARG 94 5.708 5.851 5.016 700 HH12 ARG 94 2HH1 ARG 94 5.081 7.367 5.461 701 HH21 ARG 94 1HH2 ARG 94 7.538 9.334 3.890 702 HH22 ARG 94 2HH2 ARG 94 6.103 9.325 4.809 703 H LYS 95 H LYS 95 11.747 3.222 0.493 704 HA LYS 95 HA LYS 95 12.541 5.501 -1.129 705 HB2 LYS 95 2HB LYS 95 14.052 2.905 -0.833 706 HB3 LYS 95 1HB LYS 95 14.700 4.497 -1.179 707 HG2 LYS 95 2HG LYS 95 14.089 5.186 1.125 708 HG3 LYS 95 1HG LYS 95 13.571 3.538 1.433 709 HD2 LYS 95 2HD LYS 95 15.919 2.840 0.699 710 HD3 LYS 95 1HD LYS 95 16.342 4.544 0.876 711 HE2 LYS 95 2HE LYS 95 15.247 2.722 3.021 712 HE3 LYS 95 1HE LYS 95 16.891 3.325 2.894 713 HZ1 LYS 95 3HZ LYS 95 14.514 5.062 3.284 714 HZ2 LYS 95 1HZ LYS 95 16.130 5.535 3.397 715 HZ3 LYS 95 2HZ LYS 95 15.450 4.473 4.533 716 H ARG 96 H ARG 96 10.331 3.851 -1.934 717 HA ARG 96 HA ARG 96 11.167 3.215 -4.616 718 HB2 ARG 96 2HB ARG 96 11.544 1.083 -3.500 719 HB3 ARG 96 1HB ARG 96 9.957 1.140 -2.779 720 HG2 ARG 96 2HG ARG 96 10.031 -0.511 -4.544 721 HG3 ARG 96 1HG ARG 96 8.948 0.798 -4.984 722 HD2 ARG 96 2HD ARG 96 11.804 0.643 -5.945 723 HD3 ARG 96 1HD ARG 96 10.467 -0.107 -6.810 724 HE ARG 96 HE ARG 96 9.647 2.434 -6.491 725 HH11 ARG 96 1HH1 ARG 96 12.659 1.091 -7.799 726 HH12 ARG 96 2HH1 ARG 96 12.884 2.350 -8.920 727 HH21 ARG 96 1HH2 ARG 96 9.990 4.158 -8.060 728 HH22 ARG 96 2HH2 ARG 96 11.416 4.091 -9.024 729 H LEU 97 H LEU 97 8.465 3.274 -2.338 730 HA LEU 97 HA LEU 97 6.786 4.024 -4.598 731 HB2 LEU 97 2HB LEU 97 4.961 3.770 -2.849 732 HB3 LEU 97 1HB LEU 97 5.736 2.342 -3.526 733 HG LEU 97 HG LEU 97 7.168 2.276 -1.487 734 HD11 LEU 97 1HD1 LEU 97 6.445 3.466 0.505 735 HD12 LEU 97 2HD1 LEU 97 5.234 4.330 -0.440 736 HD13 LEU 97 3HD1 LEU 97 6.949 4.588 -0.761 737 HD21 LEU 97 3HD2 LEU 97 5.190 0.942 -1.883 738 HD22 LEU 97 1HD2 LEU 97 4.260 2.178 -1.023 739 HD23 LEU 97 2HD2 LEU 97 5.550 1.277 -0.176 740 H THR 98 H THR 98 8.215 5.506 -1.900 741 HA THR 98 HA THR 98 6.672 7.856 -2.753 742 HB THR 98 HB THR 98 6.082 7.225 -0.418 743 HG1 THR 98 1HG THR 98 7.395 9.663 -0.887 744 HG21 THR 98 3HG2 THR 98 7.680 7.587 1.388 745 HG22 THR 98 1HG2 THR 98 8.939 7.937 0.200 746 HG23 THR 98 2HG2 THR 98 8.227 6.333 0.270 747 H LYS 99 H LYS 99 9.483 6.572 -3.332 748 HA LYS 99 HA LYS 99 11.297 8.738 -2.963 749 HB2 LYS 99 2HB LYS 99 12.696 7.637 -4.588 750 HB3 LYS 99 1HB LYS 99 11.956 6.399 -3.572 751 HG2 LYS 99 2HG LYS 99 10.658 5.581 -5.242 752 HG3 LYS 99 1HG LYS 99 10.582 7.122 -6.099 753 HD2 LYS 99 2HD LYS 99 11.933 5.659 -7.416 754 HD3 LYS 99 1HD LYS 99 12.983 6.840 -6.633 755 HE2 LYS 99 2HE LYS 99 13.577 5.184 -4.942 756 HE3 LYS 99 1HE LYS 99 12.518 4.025 -5.729 757 HZ1 LYS 99 3HZ LYS 99 15.088 5.094 -6.771 758 HZ2 LYS 99 1HZ LYS 99 13.935 4.378 -7.792 759 HZ3 LYS 99 2HZ LYS 99 14.621 3.513 -6.528 760 H ARG 100 H ARG 100 12.256 9.893 -4.973 761 HA ARG 100 HA ARG 100 10.040 10.799 -6.698 762 HB2 ARG 100 2HB ARG 100 11.078 13.032 -6.660 763 HB3 ARG 100 1HB ARG 100 10.523 12.522 -5.067 764 HG2 ARG 100 2HG ARG 100 12.746 12.051 -4.404 765 HG3 ARG 100 1HG ARG 100 13.354 12.300 -6.037 766 HD2 ARG 100 2HD ARG 100 12.461 14.668 -5.853 767 HD3 ARG 100 1HD ARG 100 12.135 14.332 -4.155 768 HE ARG 100 HE ARG 100 14.843 13.984 -5.167 769 HH11 ARG 100 1HH1 ARG 100 12.592 15.774 -3.094 770 HH12 ARG 100 2HH1 ARG 100 13.784 16.799 -2.446 771 HH21 ARG 100 1HH2 ARG 100 16.489 15.449 -4.267 772 HH22 ARG 100 2HH2 ARG 100 15.999 16.617 -3.112 773 H SER 101 H SER 101 12.539 8.977 -6.885 774 HA SER 101 HA SER 101 14.113 10.191 -8.957 775 HB2 SER 101 2HB SER 101 15.046 8.475 -7.377 776 HB3 SER 101 1HB SER 101 14.003 7.284 -8.145 777 HG SER 101 HG SER 101 15.137 7.283 -9.892 778 H GLU 102 H GLU 102 11.516 7.874 -8.829 779 HA GLU 102 HA GLU 102 11.423 7.896 -11.760 780 HB2 GLU 102 2HB GLU 102 10.531 5.733 -9.846 781 HB3 GLU 102 1HB GLU 102 9.968 5.791 -11.504 782 HG2 GLU 102 2HG GLU 102 11.749 4.205 -11.358 783 HG3 GLU 102 1HG GLU 102 12.333 5.598 -12.255 784 H GLU 103 H GLU 103 9.115 7.554 -12.578 785 HA GLU 103 HA GLU 103 7.436 9.289 -10.952 786 HB2 GLU 103 2HB GLU 103 6.562 10.171 -13.177 787 HB3 GLU 103 1HB GLU 103 8.143 10.730 -12.621 788 HG2 GLU 103 2HG GLU 103 9.151 9.121 -14.209 789 HG3 GLU 103 1HG GLU 103 7.532 8.693 -14.747 790 H VAL 104 H VAL 104 7.065 7.234 -13.816 791 HA VAL 104 HA VAL 104 4.376 6.628 -12.879 792 HB VAL 104 HB VAL 104 5.586 5.518 -15.406 793 HG11 VAL 104 1HG1 VAL 104 3.650 4.397 -14.807 794 HG12 VAL 104 2HG1 VAL 104 3.191 5.529 -16.106 795 HG13 VAL 104 3HG1 VAL 104 2.878 5.914 -14.402 796 HG21 VAL 104 3HG2 VAL 104 5.873 7.879 -15.498 797 HG22 VAL 104 1HG2 VAL 104 4.173 8.152 -15.084 798 HG23 VAL 104 2HG2 VAL 104 4.604 7.374 -16.624 799 H VAL 105 H VAL 105 3.931 4.885 -11.820 800 HA VAL 105 HA VAL 105 5.874 2.704 -11.905 801 HB VAL 105 HB VAL 105 5.323 2.297 -9.509 802 HG11 VAL 105 1HG1 VAL 105 6.751 4.116 -8.637 803 HG12 VAL 105 2HG1 VAL 105 6.505 5.023 -10.129 804 HG13 VAL 105 3HG1 VAL 105 7.393 3.501 -10.160 805 HG21 VAL 105 3HG2 VAL 105 3.202 3.488 -9.463 806 HG22 VAL 105 1HG2 VAL 105 4.043 5.016 -9.721 807 HG23 VAL 105 2HG2 VAL 105 4.305 4.101 -8.232 808 H ARG 106 H ARG 106 5.093 0.743 -12.198 809 HA ARG 106 HA ARG 106 2.205 0.299 -12.140 810 HB2 ARG 106 2HB ARG 106 4.494 -1.400 -13.129 811 HB3 ARG 106 1HB ARG 106 2.845 -1.984 -13.030 812 HG2 ARG 106 2HG ARG 106 3.628 0.439 -14.618 813 HG3 ARG 106 1HG ARG 106 3.549 -1.193 -15.293 814 HD2 ARG 106 2HD ARG 106 1.208 -1.360 -14.712 815 HD3 ARG 106 1HD ARG 106 1.263 0.201 -13.907 816 HE ARG 106 HE ARG 106 1.364 1.263 -15.976 817 HH11 ARG 106 1HH1 ARG 106 1.312 -2.252 -16.472 818 HH12 ARG 106 2HH1 ARG 106 0.659 -2.105 -18.033 819 HH21 ARG 106 1HH2 ARG 106 0.492 1.417 -17.962 820 HH22 ARG 106 2HH2 ARG 106 0.178 0.048 -18.956 821 H LEU 107 H LEU 107 1.420 -0.190 -10.291 822 HA LEU 107 HA LEU 107 3.052 -1.698 -8.370 823 HB2 LEU 107 2HB LEU 107 0.514 -0.260 -7.827 824 HB3 LEU 107 1HB LEU 107 1.754 -0.731 -6.690 825 HG LEU 107 HG LEU 107 1.879 1.524 -8.677 826 HD11 LEU 107 1HD1 LEU 107 0.484 1.963 -6.812 827 HD12 LEU 107 2HD1 LEU 107 1.994 2.882 -6.659 828 HD13 LEU 107 3HD1 LEU 107 1.736 1.426 -5.691 829 HD21 LEU 107 3HD2 LEU 107 3.907 0.680 -6.644 830 HD22 LEU 107 1HD2 LEU 107 4.000 2.077 -7.711 831 HD23 LEU 107 2HD2 LEU 107 4.060 0.456 -8.398 832 H LEU 108 H LEU 108 1.973 -3.350 -7.301 833 HA LEU 108 HA LEU 108 -0.651 -4.108 -8.329 834 HB2 LEU 108 2HB LEU 108 1.785 -5.582 -8.436 835 HB3 LEU 108 1HB LEU 108 0.583 -6.507 -7.549 836 HG LEU 108 HG LEU 108 -0.884 -6.042 -9.604 837 HD11 LEU 108 1HD1 LEU 108 1.822 -5.412 -10.773 838 HD12 LEU 108 2HD1 LEU 108 0.463 -4.299 -10.606 839 HD13 LEU 108 3HD1 LEU 108 0.349 -5.672 -11.708 840 HD21 LEU 108 3HD2 LEU 108 0.012 -8.250 -9.121 841 HD22 LEU 108 1HD2 LEU 108 1.545 -7.811 -9.869 842 HD23 LEU 108 2HD2 LEU 108 0.092 -7.936 -10.855 843 H VAL 109 H VAL 109 -2.046 -4.306 -6.847 844 HA VAL 109 HA VAL 109 -1.074 -4.642 -4.099 845 HB VAL 109 HB VAL 109 -2.882 -3.368 -3.197 846 HG11 VAL 109 1HG1 VAL 109 -2.242 -1.129 -3.834 847 HG12 VAL 109 2HG1 VAL 109 -1.391 -1.779 -5.247 848 HG13 VAL 109 3HG1 VAL 109 -0.863 -2.202 -3.610 849 HG21 VAL 109 3HG2 VAL 109 -4.383 -2.004 -4.522 850 HG22 VAL 109 1HG2 VAL 109 -4.595 -3.713 -4.874 851 HG23 VAL 109 2HG2 VAL 109 -3.715 -2.684 -6.009 852 H THR 110 H THR 110 -2.485 -5.610 -2.654 853 HA THR 110 HA THR 110 -4.211 -7.505 -4.025 854 HB THR 110 HB THR 110 -3.714 -9.008 -2.095 855 HG1 THR 110 1HG THR 110 -2.961 -7.120 -0.801 856 HG21 THR 110 3HG2 THR 110 -1.220 -8.098 -3.498 857 HG22 THR 110 1HG2 THR 110 -2.535 -8.950 -4.299 858 HG23 THR 110 2HG2 THR 110 -1.658 -9.737 -2.980 859 H ARG 111 H ARG 111 -6.225 -7.218 -3.639 860 HA ARG 111 HA ARG 111 -7.375 -5.599 -1.551 861 HB2 ARG 111 2HB ARG 111 -8.592 -7.548 -3.510 862 HB3 ARG 111 1HB ARG 111 -9.528 -6.599 -2.389 863 HG2 ARG 111 2HG ARG 111 -7.740 -5.155 -4.285 864 HG3 ARG 111 1HG ARG 111 -9.235 -5.855 -4.899 865 HD2 ARG 111 2HD ARG 111 -9.700 -3.595 -4.302 866 HD3 ARG 111 1HD ARG 111 -10.461 -4.618 -3.098 867 HE ARG 111 HE ARG 111 -7.865 -3.315 -2.606 868 HH11 ARG 111 1HH1 ARG 111 -11.146 -4.071 -1.417 869 HH12 ARG 111 2HH1 ARG 111 -11.049 -2.928 -0.160 870 HH21 ARG 111 1HH2 ARG 111 -7.857 -1.729 -1.048 871 HH22 ARG 111 2HH2 ARG 111 -9.130 -1.538 0.091 872 H GLN 112 H GLN 112 -7.400 -6.388 0.433 873 HA GLN 112 HA GLN 112 -7.103 -9.223 0.794 874 HB2 GLN 112 2HB GLN 112 -7.135 -6.973 2.782 875 HB3 GLN 112 1HB GLN 112 -6.721 -8.647 3.161 876 HG2 GLN 112 2HG GLN 112 -5.288 -6.874 1.205 877 HG3 GLN 112 1HG GLN 112 -4.705 -7.239 2.848 878 HE21 GLN 112 1HE2 GLN 112 -5.161 -8.289 -0.350 879 HE22 GLN 112 2HE2 GLN 112 -4.222 -9.737 -0.298 880 H SER 113 H SER 113 -9.427 -6.696 1.670 881 HA SER 113 HA SER 113 -11.588 -6.745 2.372 882 HB2 SER 113 2HB SER 113 -11.543 -9.232 0.689 883 HB3 SER 113 1HB SER 113 -12.973 -8.222 1.008 884 HG SER 113 HG SER 113 -12.242 -6.764 -0.426 885 H LEU 114 H LEU 114 -9.861 -7.804 4.217 886 HA LEU 114 HA LEU 114 -9.599 -9.017 6.066 887 HB2 LEU 114 2HB LEU 114 -12.045 -8.696 6.538 888 HB3 LEU 114 1HB LEU 114 -12.392 -10.111 5.575 889 HG LEU 114 HG LEU 114 -11.192 -11.518 7.200 890 HD11 LEU 114 1HD1 LEU 114 -9.603 -9.898 8.060 891 HD12 LEU 114 2HD1 LEU 114 -10.547 -10.599 9.373 892 HD13 LEU 114 3HD1 LEU 114 -10.915 -8.975 8.791 893 HD21 LEU 114 3HD2 LEU 114 -12.837 -11.353 9.002 894 HD22 LEU 114 1HD2 LEU 114 -13.588 -11.205 7.414 895 HD23 LEU 114 2HD2 LEU 114 -13.329 -9.767 8.400 896 H GLN 115 H GLN 115 -7.986 -10.033 5.190 897 HA GLN 115 HA GLN 115 -8.185 -12.155 3.332 898 HB2 GLN 115 2HB GLN 115 -5.791 -12.403 3.628 899 HB3 GLN 115 1HB GLN 115 -6.226 -10.711 3.440 900 HG2 GLN 115 2HG GLN 115 -5.844 -10.244 5.708 901 HG3 GLN 115 1HG GLN 115 -5.860 -11.952 6.146 902 HE21 GLN 115 1HE2 GLN 115 -3.936 -9.329 4.929 903 HE22 GLN 115 2HE2 GLN 115 -2.478 -10.268 4.861 904 H LYS 116 H LYS 116 -7.589 -14.322 3.591 905 HA LYS 116 HA LYS 116 -7.680 -15.300 6.326 906 HB2 LYS 116 2HB LYS 116 -8.669 -17.383 5.485 907 HB3 LYS 116 1HB LYS 116 -9.681 -16.002 5.122 908 HG2 LYS 116 2HG LYS 116 -8.740 -16.075 2.793 909 HG3 LYS 116 1HG LYS 116 -7.977 -17.607 3.239 910 HD2 LYS 116 2HD LYS 116 -10.220 -18.464 3.904 911 HD3 LYS 116 1HD LYS 116 -10.924 -16.973 3.302 912 HE2 LYS 116 2HE LYS 116 -11.178 -18.681 1.640 913 HE3 LYS 116 1HE LYS 116 -10.013 -17.496 1.055 914 HZ1 LYS 116 3HZ LYS 116 -8.232 -19.017 1.694 915 HZ2 LYS 116 1HZ LYS 116 -9.302 -19.766 0.632 916 HZ3 LYS 116 2HZ LYS 116 -9.375 -20.128 2.265 917 H ALA 117 H ALA 117 -6.282 -17.057 6.825 918 HA ALA 117 HA ALA 117 -3.897 -16.974 5.126 919 HB1 ALA 117 1HB ALA 117 -3.650 -15.773 7.249 920 HB2 ALA 117 2HB ALA 117 -2.592 -17.178 7.173 921 HB3 ALA 117 3HB ALA 117 -4.074 -17.240 8.128 922 H VAL 118 H VAL 118 -2.481 -18.900 6.463 923 HA VAL 118 HA VAL 118 -3.763 -21.253 5.496 924 HB VAL 118 HB VAL 118 -1.465 -22.340 5.830 925 HG11 VAL 118 1HG1 VAL 118 -1.645 -19.938 4.005 926 HG12 VAL 118 2HG1 VAL 118 -2.226 -21.560 3.639 927 HG13 VAL 118 3HG1 VAL 118 -0.496 -21.264 3.830 928 HG21 VAL 118 3HG2 VAL 118 -0.616 -19.461 6.239 929 HG22 VAL 118 1HG2 VAL 118 0.470 -20.835 6.039 930 HG23 VAL 118 2HG2 VAL 118 -0.565 -20.726 7.468 931 H GLN 119 H GLN 119 -5.047 -20.841 7.024 932 HA GLN 119 HA GLN 119 -6.374 -22.002 8.569 933 HB2 GLN 119 2HB GLN 119 -3.811 -22.892 9.949 934 HB3 GLN 119 1HB GLN 119 -5.428 -23.339 10.457 935 HG2 GLN 119 2HG GLN 119 -4.062 -24.122 7.888 936 HG3 GLN 119 1HG GLN 119 -4.336 -25.155 9.285 937 HE21 GLN 119 1HE2 GLN 119 -5.704 -23.693 6.516 938 HE22 GLN 119 2HE2 GLN 119 -7.218 -24.482 6.525 939 H GLN 120 H GLN 120 -3.640 -21.003 10.554 940 HA GLN 120 HA GLN 120 -4.818 -18.491 11.194 941 HB2 GLN 120 2HB GLN 120 -6.270 -19.940 12.567 942 HB3 GLN 120 1HB GLN 120 -4.859 -20.679 13.296 943 HG2 GLN 120 2HG GLN 120 -5.830 -19.110 14.842 944 HG3 GLN 120 1HG GLN 120 -4.272 -18.499 14.303 945 HE21 GLN 120 1HE2 GLN 120 -4.768 -16.401 14.813 946 HE22 GLN 120 2HE2 GLN 120 -5.887 -15.452 13.938 947 H SER 121 H SER 121 -2.897 -17.577 10.766 948 HA SER 121 HA SER 121 -0.844 -16.822 11.002 949 HB2 SER 121 2HB SER 121 -1.006 -18.083 13.731 950 HB3 SER 121 1HB SER 121 0.214 -16.910 13.223 951 HG SER 121 HG SER 121 -1.712 -16.083 14.352 952 H MET 122 H MET 122 0.784 -17.451 9.873 953 HA MET 122 HA MET 122 1.627 -20.249 9.842 954 HB2 MET 122 2HB MET 122 2.944 -19.668 7.895 955 HB3 MET 122 1HB MET 122 1.335 -18.989 7.703 956 HG2 MET 122 2HG MET 122 2.149 -16.793 8.295 957 HG3 MET 122 1HG MET 122 3.741 -17.450 8.653 958 HE1 MET 122 3HE MET 122 1.097 -16.645 5.907 959 HE2 MET 122 1HE MET 122 1.373 -18.355 5.592 960 HE3 MET 122 2HE MET 122 1.906 -17.146 4.423 961 H LEU 123 H LEU 123 2.324 -17.618 11.643 962 HA LEU 123 HA LEU 123 5.129 -17.618 11.615 963 HB2 LEU 123 2HB LEU 123 5.024 -16.221 13.625 964 HB3 LEU 123 1HB LEU 123 3.965 -15.644 12.363 965 HG LEU 123 HG LEU 123 2.140 -16.931 13.778 966 HD11 LEU 123 1HD1 LEU 123 4.210 -16.305 15.871 967 HD12 LEU 123 2HD1 LEU 123 3.678 -17.912 15.381 968 HD13 LEU 123 3HD1 LEU 123 2.547 -16.812 16.170 969 HD21 LEU 123 3HD2 LEU 123 3.308 -14.279 14.585 970 HD22 LEU 123 1HD2 LEU 123 1.690 -14.852 14.981 971 HD23 LEU 123 2HD2 LEU 123 2.132 -14.552 13.299 972 H SER 124 H SER 124 6.584 -18.794 12.498 973 HA SER 124 HA SER 124 6.450 -20.076 14.937 974 HB2 SER 124 2HB SER 124 6.545 -22.473 14.005 975 HB3 SER 124 1HB SER 124 4.963 -21.698 13.966 976 HG SER 124 HG SER 124 6.560 -21.313 11.763 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 1.092 -10.771 -23.286 2 H2 GLY 1 2HT GLY 1 2.046 -11.905 -24.048 3 H3 GLY 1 3HT GLY 1 2.397 -10.248 -24.223 4 HA2 GLY 1 1HA GLY 1 3.916 -11.266 -22.664 5 HA3 GLY 1 2HA GLY 1 2.834 -10.153 -21.828 6 H SER 2 H SER 2 3.380 -11.484 -19.911 7 HA SER 2 HA SER 2 1.423 -13.482 -19.475 8 HB2 SER 2 2HB SER 2 3.091 -14.824 -20.735 9 HB3 SER 2 1HB SER 2 4.327 -14.357 -19.574 10 HG SER 2 HG SER 2 2.016 -15.946 -19.103 11 H TYR 3 H TYR 3 0.821 -12.948 -17.460 12 HA TYR 3 HA TYR 3 2.850 -12.903 -15.433 13 HB2 TYR 3 2HB TYR 3 2.501 -10.492 -15.957 14 HB3 TYR 3 1HB TYR 3 0.780 -10.690 -15.621 15 HD1 TYR 3 1HD TYR 3 -0.008 -11.023 -13.364 16 HD2 TYR 3 2HD TYR 3 4.112 -10.472 -14.153 17 HE1 TYR 3 1HE TYR 3 0.382 -10.645 -10.953 18 HE2 TYR 3 2HE TYR 3 4.535 -10.079 -11.756 19 HH TYR 3 HH TYR 3 3.343 -9.392 -9.789 20 H ILE 4 H ILE 4 2.252 -14.419 -14.157 21 HA ILE 4 HA ILE 4 -0.581 -14.971 -13.750 22 HB ILE 4 HB ILE 4 1.870 -16.656 -13.169 23 HG12 ILE 4 2HG1 ILE 4 -0.197 -16.956 -15.354 24 HG13 ILE 4 1HG1 ILE 4 1.407 -16.274 -15.587 25 HG21 ILE 4 1HG2 ILE 4 0.023 -17.170 -11.658 26 HG22 ILE 4 2HG2 ILE 4 0.257 -18.477 -12.825 27 HG23 ILE 4 3HG2 ILE 4 -1.069 -17.341 -13.034 28 HD11 ILE 4 3HD1 ILE 4 2.398 -18.389 -14.944 29 HD12 ILE 4 1HD1 ILE 4 1.304 -18.576 -16.313 30 HD13 ILE 4 2HD1 ILE 4 0.792 -19.077 -14.699 31 HA PRO 5 HA PRO 5 0.411 -13.205 -9.691 32 HB2 PRO 5 2HB PRO 5 -2.379 -13.207 -9.097 33 HB3 PRO 5 1HB PRO 5 -1.362 -11.817 -9.476 34 HG2 PRO 5 2HG PRO 5 -3.399 -12.754 -11.090 35 HG3 PRO 5 1HG PRO 5 -2.032 -11.778 -11.654 36 HD2 PRO 5 2HD PRO 5 -2.470 -14.723 -11.864 37 HD3 PRO 5 1HD PRO 5 -1.699 -13.579 -12.989 38 H GLY 6 H GLY 6 -0.719 -13.662 -7.525 39 HA2 GLY 6 2HA GLY 6 -1.015 -16.570 -7.208 40 HA3 GLY 6 1HA GLY 6 -0.093 -15.575 -6.076 41 H GLN 7 H GLN 7 -3.218 -15.412 -7.646 42 HA GLN 7 HA GLN 7 -4.461 -14.313 -5.285 43 HB2 GLN 7 2HB GLN 7 -5.000 -13.627 -7.609 44 HB3 GLN 7 1HB GLN 7 -5.719 -15.220 -7.876 45 HG2 GLN 7 2HG GLN 7 -6.712 -13.170 -5.894 46 HG3 GLN 7 1HG GLN 7 -7.310 -13.309 -7.535 47 HE21 GLN 7 1HE2 GLN 7 -8.573 -15.102 -8.066 48 HE22 GLN 7 2HE2 GLN 7 -9.372 -16.040 -6.852 49 HA PRO 8 HA PRO 8 -5.283 -18.451 -3.818 50 HB2 PRO 8 2HB PRO 8 -6.293 -17.721 -1.416 51 HB3 PRO 8 1HB PRO 8 -4.568 -17.626 -1.777 52 HG2 PRO 8 2HG PRO 8 -6.603 -15.436 -1.712 53 HG3 PRO 8 1HG PRO 8 -4.904 -15.405 -1.220 54 HD2 PRO 8 2HD PRO 8 -5.843 -14.448 -3.728 55 HD3 PRO 8 1HD PRO 8 -4.184 -14.925 -3.328 56 H VAL 9 H VAL 9 -7.796 -16.711 -2.184 57 HA VAL 9 HA VAL 9 -9.884 -17.545 -4.003 58 HB VAL 9 HB VAL 9 -11.285 -18.533 -2.111 59 HG11 VAL 9 1HG1 VAL 9 -10.282 -20.767 -2.214 60 HG12 VAL 9 2HG1 VAL 9 -8.816 -20.065 -2.900 61 HG13 VAL 9 3HG1 VAL 9 -10.336 -19.987 -3.793 62 HG21 VAL 9 3HG2 VAL 9 -10.016 -17.758 -0.195 63 HG22 VAL 9 1HG2 VAL 9 -8.617 -18.702 -0.706 64 HG23 VAL 9 2HG2 VAL 9 -10.089 -19.520 -0.190 65 H THR 10 H THR 10 -9.155 -16.016 -0.890 66 HA THR 10 HA THR 10 -11.625 -14.485 -0.982 67 HB THR 10 HB THR 10 -10.984 -15.804 0.944 68 HG1 THR 10 1HG THR 10 -11.260 -13.001 1.185 69 HG21 THR 10 3HG2 THR 10 -9.215 -15.003 2.500 70 HG22 THR 10 1HG2 THR 10 -8.733 -13.820 1.284 71 HG23 THR 10 2HG2 THR 10 -8.577 -15.541 0.945 72 H ALA 11 H ALA 11 -8.538 -14.065 -1.898 73 HA ALA 11 HA ALA 11 -8.492 -11.211 -1.209 74 HB1 ALA 11 1HB ALA 11 -6.121 -11.227 -1.665 75 HB2 ALA 11 2HB ALA 11 -6.207 -12.926 -2.144 76 HB3 ALA 11 3HB ALA 11 -6.538 -12.460 -0.476 77 H VAL 12 H VAL 12 -8.261 -9.670 -2.728 78 HA VAL 12 HA VAL 12 -8.550 -10.550 -5.522 79 HB VAL 12 HB VAL 12 -9.427 -7.905 -4.315 80 HG11 VAL 12 1HG1 VAL 12 -8.856 -7.686 -6.648 81 HG12 VAL 12 2HG1 VAL 12 -10.614 -7.602 -6.470 82 HG13 VAL 12 3HG1 VAL 12 -9.854 -9.080 -7.054 83 HG21 VAL 12 3HG2 VAL 12 -11.141 -10.249 -5.155 84 HG22 VAL 12 1HG2 VAL 12 -11.728 -8.691 -4.578 85 HG23 VAL 12 2HG2 VAL 12 -10.828 -9.751 -3.493 86 H VAL 13 H VAL 13 -6.722 -10.291 -6.599 87 HA VAL 13 HA VAL 13 -4.899 -8.156 -5.803 88 HB VAL 13 HB VAL 13 -3.895 -10.403 -5.977 89 HG11 VAL 13 1HG1 VAL 13 -5.336 -11.401 -7.633 90 HG12 VAL 13 2HG1 VAL 13 -3.644 -11.548 -8.120 91 HG13 VAL 13 3HG1 VAL 13 -4.680 -10.340 -8.880 92 HG21 VAL 13 3HG2 VAL 13 -2.003 -9.857 -7.487 93 HG22 VAL 13 1HG2 VAL 13 -2.453 -8.517 -6.428 94 HG23 VAL 13 2HG2 VAL 13 -2.941 -8.506 -8.121 95 H GLN 14 H GLN 14 -4.439 -6.475 -7.117 96 HA GLN 14 HA GLN 14 -5.415 -6.479 -9.838 97 HB2 GLN 14 2HB GLN 14 -6.789 -4.451 -9.526 98 HB3 GLN 14 1HB GLN 14 -7.412 -5.817 -8.615 99 HG2 GLN 14 2HG GLN 14 -7.518 -4.392 -6.866 100 HG3 GLN 14 1HG GLN 14 -5.762 -4.547 -6.810 101 HE21 GLN 14 1HE2 GLN 14 -4.511 -2.974 -7.669 102 HE22 GLN 14 2HE2 GLN 14 -5.118 -1.382 -7.942 103 H ARG 15 H ARG 15 -4.664 -4.626 -11.061 104 HA ARG 15 HA ARG 15 -2.064 -3.825 -10.040 105 HB2 ARG 15 2HB ARG 15 -1.446 -3.343 -12.370 106 HB3 ARG 15 1HB ARG 15 -2.038 -4.981 -12.205 107 HG2 ARG 15 2HG ARG 15 -2.964 -4.276 -14.213 108 HG3 ARG 15 1HG ARG 15 -4.276 -4.001 -13.070 109 HD2 ARG 15 2HD ARG 15 -4.142 -2.077 -14.513 110 HD3 ARG 15 1HD ARG 15 -3.544 -1.615 -12.922 111 HE ARG 15 HE ARG 15 -1.362 -2.405 -14.454 112 HH11 ARG 15 1HH1 ARG 15 -3.751 0.229 -14.414 113 HH12 ARG 15 2HH1 ARG 15 -2.748 1.355 -15.191 114 HH21 ARG 15 1HH2 ARG 15 0.030 -0.812 -15.560 115 HH22 ARG 15 2HH2 ARG 15 -0.548 0.757 -15.841 116 H VAL 16 H VAL 16 -1.351 -1.706 -10.131 117 HA VAL 16 HA VAL 16 -3.349 0.371 -10.702 118 HB VAL 16 HB VAL 16 -1.479 1.195 -8.656 119 HG11 VAL 16 1HG1 VAL 16 -4.389 1.377 -8.895 120 HG12 VAL 16 2HG1 VAL 16 -3.111 2.579 -9.177 121 HG13 VAL 16 3HG1 VAL 16 -3.448 2.004 -7.544 122 HG21 VAL 16 3HG2 VAL 16 -3.362 -1.006 -7.788 123 HG22 VAL 16 1HG2 VAL 16 -2.467 0.074 -6.710 124 HG23 VAL 16 2HG2 VAL 16 -1.602 -1.048 -7.757 125 H GLU 17 H GLU 17 -2.201 2.462 -11.137 126 HA GLU 17 HA GLU 17 0.609 2.281 -11.384 127 HB2 GLU 17 2HB GLU 17 -0.088 1.254 -13.455 128 HB3 GLU 17 1HB GLU 17 -1.129 2.626 -13.793 129 HG2 GLU 17 2HG GLU 17 0.724 4.049 -14.188 130 HG3 GLU 17 1HG GLU 17 1.840 2.869 -13.499 131 H ILE 18 H ILE 18 1.309 4.033 -10.626 132 HA ILE 18 HA ILE 18 -0.359 6.424 -10.685 133 HB ILE 18 HB ILE 18 1.845 5.550 -8.822 134 HG12 ILE 18 2HG1 ILE 18 0.227 6.487 -7.075 135 HG13 ILE 18 1HG1 ILE 18 -0.920 6.657 -8.391 136 HG21 ILE 18 1HG2 ILE 18 2.567 7.730 -9.493 137 HG22 ILE 18 2HG2 ILE 18 1.968 7.788 -7.834 138 HG23 ILE 18 3HG2 ILE 18 0.981 8.408 -9.146 139 HD11 ILE 18 3HD1 ILE 18 -1.268 4.696 -6.987 140 HD12 ILE 18 1HD1 ILE 18 0.296 4.077 -7.473 141 HD13 ILE 18 2HD1 ILE 18 -0.991 4.266 -8.683 142 H HIS 19 H HIS 19 0.238 8.152 -11.718 143 HA HIS 19 HA HIS 19 2.801 8.129 -13.134 144 HB2 HIS 19 2HB HIS 19 0.194 9.549 -13.681 145 HB3 HIS 19 1HB HIS 19 1.678 9.957 -14.552 146 HD1 HIS 19 1HD HIS 19 -0.171 9.198 -16.561 147 HD2 HIS 19 2HD HIS 19 1.535 6.256 -14.200 148 HE1 HIS 19 1HE HIS 19 -0.496 7.037 -17.809 149 H LYS 20 H LYS 20 4.272 9.628 -12.672 150 HA LYS 20 HA LYS 20 4.777 10.902 -10.477 151 HB2 LYS 20 2HB LYS 20 5.992 12.701 -11.746 152 HB3 LYS 20 1HB LYS 20 6.394 11.036 -12.126 153 HG2 LYS 20 2HG LYS 20 4.899 11.221 -14.129 154 HG3 LYS 20 1HG LYS 20 4.689 12.931 -13.752 155 HD2 LYS 20 2HD LYS 20 7.031 13.347 -14.039 156 HD3 LYS 20 1HD LYS 20 7.389 11.642 -14.233 157 HE2 LYS 20 2HE LYS 20 5.854 11.708 -16.255 158 HE3 LYS 20 1HE LYS 20 5.907 13.466 -16.095 159 HZ1 LYS 20 3HZ LYS 20 8.207 11.651 -16.533 160 HZ2 LYS 20 1HZ LYS 20 8.353 13.311 -16.250 161 HZ3 LYS 20 2HZ LYS 20 7.581 12.761 -17.636 162 H LEU 21 H LEU 21 3.911 12.158 -9.070 163 HA LEU 21 HA LEU 21 2.344 14.494 -9.913 164 HB2 LEU 21 2HB LEU 21 0.879 12.915 -8.810 165 HB3 LEU 21 1HB LEU 21 2.024 12.698 -7.502 166 HG LEU 21 HG LEU 21 1.688 15.106 -6.919 167 HD11 LEU 21 1HD1 LEU 21 -0.628 14.891 -8.830 168 HD12 LEU 21 2HD1 LEU 21 0.793 15.918 -9.002 169 HD13 LEU 21 3HD1 LEU 21 -0.356 16.215 -7.698 170 HD21 LEU 21 3HD2 LEU 21 -0.392 14.755 -5.724 171 HD22 LEU 21 1HD2 LEU 21 0.612 13.311 -5.656 172 HD23 LEU 21 2HD2 LEU 21 -0.778 13.381 -6.749 173 H ARG 22 H ARG 22 3.167 16.401 -9.189 174 HA ARG 22 HA ARG 22 5.326 16.240 -7.261 175 HB2 ARG 22 2HB ARG 22 4.425 18.520 -9.026 176 HB3 ARG 22 1HB ARG 22 5.768 18.581 -7.898 177 HG2 ARG 22 2HG ARG 22 6.868 16.779 -9.156 178 HG3 ARG 22 1HG ARG 22 5.554 16.834 -10.330 179 HD2 ARG 22 2HD ARG 22 6.086 19.167 -10.809 180 HD3 ARG 22 1HD ARG 22 7.373 19.101 -9.605 181 HE ARG 22 HE ARG 22 7.542 17.141 -11.702 182 HH11 ARG 22 1HH1 ARG 22 8.490 20.410 -10.720 183 HH12 ARG 22 2HH1 ARG 22 9.871 20.451 -11.711 184 HH21 ARG 22 1HH2 ARG 22 9.407 17.196 -13.049 185 HH22 ARG 22 2HH2 ARG 22 10.394 18.592 -13.093 186 H GLN 23 H GLN 23 5.018 16.875 -5.235 187 HA GLN 23 HA GLN 23 2.637 18.470 -4.720 188 HB2 GLN 23 2HB GLN 23 3.876 16.308 -3.044 189 HB3 GLN 23 1HB GLN 23 2.603 17.378 -2.466 190 HG2 GLN 23 2HG GLN 23 1.212 16.411 -4.413 191 HG3 GLN 23 1HG GLN 23 2.495 15.202 -4.521 192 HE21 GLN 23 1HE2 GLN 23 1.415 16.588 -1.487 193 HE22 GLN 23 2HE2 GLN 23 0.706 15.147 -0.871 194 H GLY 24 H GLY 24 3.762 20.348 -4.816 195 HA2 GLY 24 2HA GLY 24 4.849 22.071 -3.718 196 HA3 GLY 24 1HA GLY 24 5.282 20.930 -2.459 197 H GLU 25 H GLU 25 7.285 20.358 -2.324 198 HA GLU 25 HA GLU 25 9.040 20.839 -4.631 199 HB2 GLU 25 2HB GLU 25 9.736 20.705 -1.695 200 HB3 GLU 25 1HB GLU 25 10.858 21.061 -2.998 201 HG2 GLU 25 2HG GLU 25 9.622 23.098 -3.512 202 HG3 GLU 25 1HG GLU 25 8.486 22.734 -2.218 203 H ASN 26 H ASN 26 7.395 18.409 -3.740 204 HA ASN 26 HA ASN 26 9.634 16.475 -3.785 205 HB2 ASN 26 2HB ASN 26 7.023 15.637 -2.626 206 HB3 ASN 26 1HB ASN 26 8.642 15.094 -2.233 207 HD21 ASN 26 1HD2 ASN 26 6.241 17.349 -1.727 208 HD22 ASN 26 2HD2 ASN 26 6.815 18.149 -0.332 209 H LEU 27 H LEU 27 8.955 14.460 -4.651 210 HA LEU 27 HA LEU 27 6.819 14.659 -6.656 211 HB2 LEU 27 2HB LEU 27 9.268 14.570 -7.470 212 HB3 LEU 27 1HB LEU 27 9.353 12.977 -6.773 213 HG LEU 27 HG LEU 27 9.133 12.866 -9.194 214 HD11 LEU 27 1HD1 LEU 27 6.633 11.875 -7.857 215 HD12 LEU 27 2HD1 LEU 27 8.168 11.019 -7.996 216 HD13 LEU 27 3HD1 LEU 27 7.225 11.372 -9.441 217 HD21 LEU 27 3HD2 LEU 27 7.138 13.623 -10.354 218 HD22 LEU 27 1HD2 LEU 27 7.986 14.952 -9.573 219 HD23 LEU 27 2HD2 LEU 27 6.509 14.301 -8.851 220 H ILE 28 H ILE 28 5.185 13.381 -5.923 221 HA ILE 28 HA ILE 28 5.961 11.051 -4.325 222 HB ILE 28 HB ILE 28 3.406 12.431 -3.637 223 HG12 ILE 28 2HG1 ILE 28 6.132 13.575 -2.912 224 HG13 ILE 28 1HG1 ILE 28 4.758 14.324 -3.681 225 HG21 ILE 28 1HG2 ILE 28 3.991 11.663 -1.384 226 HG22 ILE 28 2HG2 ILE 28 5.539 11.079 -1.986 227 HG23 ILE 28 3HG2 ILE 28 4.035 10.334 -2.550 228 HD11 ILE 28 3HD1 ILE 28 4.749 13.408 -0.827 229 HD12 ILE 28 1HD1 ILE 28 3.482 14.290 -1.685 230 HD13 ILE 28 2HD1 ILE 28 5.040 15.065 -1.375 231 H LEU 29 H LEU 29 4.327 9.410 -4.338 232 HA LEU 29 HA LEU 29 2.889 9.268 -6.840 233 HB2 LEU 29 2HB LEU 29 2.988 7.347 -4.535 234 HB3 LEU 29 1HB LEU 29 2.339 6.990 -6.108 235 HG LEU 29 HG LEU 29 5.190 7.386 -5.305 236 HD11 LEU 29 1HD1 LEU 29 3.645 5.110 -6.412 237 HD12 LEU 29 2HD1 LEU 29 4.385 5.256 -4.822 238 HD13 LEU 29 3HD1 LEU 29 5.405 5.118 -6.260 239 HD21 LEU 29 3HD2 LEU 29 4.918 8.515 -7.465 240 HD22 LEU 29 1HD2 LEU 29 4.145 7.074 -8.125 241 HD23 LEU 29 2HD2 LEU 29 5.841 7.023 -7.650 242 H GLY 30 H GLY 30 2.281 10.698 -4.001 243 HA2 GLY 30 2HA GLY 30 0.260 11.792 -3.524 244 HA3 GLY 30 1HA GLY 30 -0.565 10.593 -4.502 245 H PHE 31 H PHE 31 0.510 8.250 -3.216 246 HA PHE 31 HA PHE 31 -1.119 8.393 -0.831 247 HB2 PHE 31 2HB PHE 31 -1.302 5.972 -0.997 248 HB3 PHE 31 1HB PHE 31 -1.647 6.715 -2.539 249 HD1 PHE 31 2HD PHE 31 -0.066 6.528 -4.366 250 HD2 PHE 31 1HD PHE 31 0.490 4.515 -0.706 251 HE1 PHE 31 2HE PHE 31 1.532 5.016 -5.464 252 HE2 PHE 31 1HE PHE 31 2.077 2.974 -1.770 253 HZ PHE 31 HZ PHE 31 2.622 3.231 -4.160 254 H SER 32 H SER 32 -0.436 6.800 0.952 255 HA SER 32 HA SER 32 2.412 7.054 1.608 256 HB2 SER 32 2HB SER 32 0.031 7.525 3.370 257 HB3 SER 32 1HB SER 32 1.720 7.542 3.866 258 HG SER 32 HG SER 32 1.039 9.130 1.707 259 H ILE 33 H ILE 33 2.803 5.531 3.691 260 HA ILE 33 HA ILE 33 1.372 3.006 3.210 261 HB ILE 33 HB ILE 33 3.332 1.733 3.035 262 HG12 ILE 33 2HG1 ILE 33 4.933 4.157 3.888 263 HG13 ILE 33 1HG1 ILE 33 4.557 2.771 4.906 264 HG21 ILE 33 1HG2 ILE 33 2.950 2.919 0.984 265 HG22 ILE 33 2HG2 ILE 33 4.700 2.845 1.285 266 HG23 ILE 33 3HG2 ILE 33 3.829 4.320 1.589 267 HD11 ILE 33 3HD1 ILE 33 6.757 2.416 4.229 268 HD12 ILE 33 1HD1 ILE 33 6.419 2.888 2.552 269 HD13 ILE 33 2HD1 ILE 33 5.770 1.382 3.184 270 H GLY 34 H GLY 34 1.819 1.399 4.953 271 HA2 GLY 34 2HA GLY 34 1.993 2.805 7.525 272 HA3 GLY 34 1HA GLY 34 1.099 1.311 7.258 273 H GLY 35 H GLY 35 3.174 0.164 5.659 274 HA2 GLY 35 2HA GLY 35 5.662 -0.205 6.207 275 HA3 GLY 35 1HA GLY 35 5.108 -0.312 7.815 276 H GLY 36 H GLY 36 6.546 -2.222 6.309 277 HA2 GLY 36 2HA GLY 36 4.606 -4.353 5.936 278 HA3 GLY 36 1HA GLY 36 6.255 -4.339 5.332 279 H ILE 37 H ILE 37 7.576 -5.642 6.321 280 HA ILE 37 HA ILE 37 6.721 -7.140 8.535 281 HB ILE 37 HB ILE 37 8.775 -8.361 8.481 282 HG12 ILE 37 2HG1 ILE 37 10.300 -6.365 8.344 283 HG13 ILE 37 1HG1 ILE 37 10.797 -7.680 7.257 284 HG21 ILE 37 1HG2 ILE 37 7.987 -7.570 5.703 285 HG22 ILE 37 2HG2 ILE 37 7.242 -8.834 6.684 286 HG23 ILE 37 3HG2 ILE 37 8.914 -9.011 6.127 287 HD11 ILE 37 3HD1 ILE 37 11.087 -5.537 6.245 288 HD12 ILE 37 1HD1 ILE 37 9.449 -5.073 6.668 289 HD13 ILE 37 2HD1 ILE 37 9.718 -6.317 5.449 290 H ASP 38 H ASP 38 8.467 -4.288 8.341 291 HA ASP 38 HA ASP 38 9.876 -4.452 10.804 292 HB2 ASP 38 2HB ASP 38 10.548 -2.954 9.000 293 HB3 ASP 38 1HB ASP 38 9.048 -2.067 9.143 294 H GLN 39 H GLN 39 6.652 -3.956 9.990 295 HA GLN 39 HA GLN 39 6.036 -2.652 12.551 296 HB2 GLN 39 2HB GLN 39 3.903 -3.059 10.506 297 HB3 GLN 39 1HB GLN 39 4.166 -1.670 11.513 298 HG2 GLN 39 2HG GLN 39 5.694 -2.321 9.089 299 HG3 GLN 39 1HG GLN 39 4.436 -1.095 9.294 300 HE21 GLN 39 1HE2 GLN 39 7.315 -1.154 8.648 301 HE22 GLN 39 2HE2 GLN 39 8.064 0.025 9.639 302 H ASP 40 H ASP 40 4.413 -3.716 13.823 303 HA ASP 40 HA ASP 40 4.430 -6.641 13.423 304 HB2 ASP 40 2HB ASP 40 4.870 -5.269 15.766 305 HB3 ASP 40 1HB ASP 40 3.167 -5.402 15.758 306 HA PRO 41 HA PRO 41 0.327 -6.433 11.734 307 HB2 PRO 41 2HB PRO 41 -0.397 -9.045 12.271 308 HB3 PRO 41 1HB PRO 41 0.542 -8.530 10.867 309 HG2 PRO 41 2HG PRO 41 1.491 -9.671 13.465 310 HG3 PRO 41 1HG PRO 41 2.052 -10.014 11.817 311 HD2 PRO 41 2HD PRO 41 3.438 -8.427 13.440 312 HD3 PRO 41 1HD PRO 41 3.298 -8.055 11.707 313 H SER 42 H SER 42 0.992 -7.371 14.976 314 HA SER 42 HA SER 42 -1.712 -7.621 15.889 315 HB2 SER 42 2HB SER 42 0.710 -7.048 17.565 316 HB3 SER 42 1HB SER 42 -0.733 -7.976 17.989 317 HG SER 42 HG SER 42 1.491 -8.661 16.483 318 H GLN 43 H GLN 43 0.364 -4.989 15.197 319 HA GLN 43 HA GLN 43 -1.390 -3.140 16.650 320 HB2 GLN 43 2HB GLN 43 0.640 -1.782 17.134 321 HB3 GLN 43 1HB GLN 43 0.616 -3.317 17.981 322 HG2 GLN 43 2HG GLN 43 1.989 -3.826 15.676 323 HG3 GLN 43 1HG GLN 43 2.430 -2.159 16.030 324 HE21 GLN 43 1HE2 GLN 43 1.624 -4.721 18.246 325 HE22 GLN 43 2HE2 GLN 43 3.118 -4.719 19.104 326 H ASN 44 H ASN 44 -0.946 -4.166 13.920 327 HA ASN 44 HA ASN 44 -0.461 -1.646 12.494 328 HB2 ASN 44 2HB ASN 44 -0.499 -4.471 11.661 329 HB3 ASN 44 1HB ASN 44 -0.624 -3.181 10.464 330 HD21 ASN 44 1HD2 ASN 44 1.388 -5.067 10.403 331 HD22 ASN 44 2HD2 ASN 44 2.881 -4.355 10.834 332 HA PRO 45 HA PRO 45 -4.753 -1.191 11.749 333 HB2 PRO 45 2HB PRO 45 -4.665 0.450 9.609 334 HB3 PRO 45 1HB PRO 45 -4.222 0.940 11.253 335 HG2 PRO 45 2HG PRO 45 -2.422 0.129 8.999 336 HG3 PRO 45 1HG PRO 45 -2.281 1.530 10.079 337 HD2 PRO 45 2HD PRO 45 -0.881 -0.735 10.446 338 HD3 PRO 45 1HD PRO 45 -1.453 0.264 11.796 339 H PHE 46 H PHE 46 -2.900 -1.727 8.744 340 HA PHE 46 HA PHE 46 -5.235 -3.215 7.708 341 HB2 PHE 46 2HB PHE 46 -3.075 -1.824 6.105 342 HB3 PHE 46 1HB PHE 46 -4.548 -2.554 5.478 343 HD1 PHE 46 2HD PHE 46 -6.769 -1.503 6.046 344 HD2 PHE 46 1HD PHE 46 -3.052 0.381 6.917 345 HE1 PHE 46 2HE PHE 46 -7.920 0.667 6.303 346 HE2 PHE 46 1HE PHE 46 -4.204 2.537 7.176 347 HZ PHE 46 HZ PHE 46 -6.610 2.692 6.865 348 H SER 47 H SER 47 -2.891 -4.107 9.294 349 HA SER 47 HA SER 47 -1.853 -6.190 7.428 350 HB2 SER 47 2HB SER 47 -0.280 -4.464 8.680 351 HB3 SER 47 1HB SER 47 -0.718 -5.423 10.042 352 HG SER 47 HG SER 47 0.053 -7.175 8.246 353 H GLU 48 H GLU 48 -4.142 -5.689 9.611 354 HA GLU 48 HA GLU 48 -3.545 -7.750 11.546 355 HB2 GLU 48 2HB GLU 48 -5.610 -7.086 12.625 356 HB3 GLU 48 1HB GLU 48 -4.529 -5.716 12.338 357 HG2 GLU 48 2HG GLU 48 -5.890 -4.922 10.568 358 HG3 GLU 48 1HG GLU 48 -6.850 -6.403 10.551 359 H ASP 49 H ASP 49 -4.362 -8.055 8.662 360 HA ASP 49 HA ASP 49 -6.777 -9.460 8.354 361 HB2 ASP 49 2HB ASP 49 -4.181 -9.896 6.906 362 HB3 ASP 49 1HB ASP 49 -5.781 -10.369 6.328 363 H LYS 50 H LYS 50 -3.588 -10.350 9.297 364 HA LYS 50 HA LYS 50 -4.217 -12.665 10.816 365 HB2 LYS 50 2HB LYS 50 -2.237 -13.245 8.584 366 HB3 LYS 50 1HB LYS 50 -3.104 -14.385 9.576 367 HG2 LYS 50 2HG LYS 50 -4.298 -14.833 7.722 368 HG3 LYS 50 1HG LYS 50 -5.067 -13.253 7.976 369 HD2 LYS 50 2HD LYS 50 -3.272 -12.191 6.699 370 HD3 LYS 50 1HD LYS 50 -2.574 -13.778 6.387 371 HE2 LYS 50 2HE LYS 50 -4.624 -14.381 5.163 372 HE3 LYS 50 1HE LYS 50 -5.241 -12.750 5.446 373 HZ1 LYS 50 3HZ LYS 50 -2.813 -13.484 3.902 374 HZ2 LYS 50 1HZ LYS 50 -3.202 -11.894 4.271 375 HZ3 LYS 50 2HZ LYS 50 -4.206 -12.789 3.287 376 H THR 51 H THR 51 -1.353 -13.471 10.373 377 HA THR 51 HA THR 51 -0.081 -11.189 11.600 378 HB THR 51 HB THR 51 1.802 -12.911 11.752 379 HG1 THR 51 1HG THR 51 0.865 -15.113 11.405 380 HG21 THR 51 3HG2 THR 51 -0.909 -13.613 12.874 381 HG22 THR 51 1HG2 THR 51 0.258 -12.526 13.620 382 HG23 THR 51 2HG2 THR 51 0.626 -14.253 13.490 383 H ASP 52 H ASP 52 -1.030 -11.094 8.955 384 HA ASP 52 HA ASP 52 1.052 -11.565 7.002 385 HB2 ASP 52 2HB ASP 52 -1.143 -12.278 6.494 386 HB3 ASP 52 1HB ASP 52 -1.807 -10.697 6.862 387 H LYS 53 H LYS 53 2.518 -10.148 7.088 388 HA LYS 53 HA LYS 53 2.174 -7.328 7.527 389 HB2 LYS 53 2HB LYS 53 4.547 -9.112 6.957 390 HB3 LYS 53 1HB LYS 53 4.685 -7.374 7.197 391 HG2 LYS 53 2HG LYS 53 4.124 -7.492 9.428 392 HG3 LYS 53 1HG LYS 53 3.316 -9.049 9.255 393 HD2 LYS 53 2HD LYS 53 5.296 -10.217 9.210 394 HD3 LYS 53 1HD LYS 53 6.328 -8.865 8.845 395 HE2 LYS 53 2HE LYS 53 5.729 -7.938 11.100 396 HE3 LYS 53 1HE LYS 53 4.843 -9.434 11.414 397 HZ1 LYS 53 3HZ LYS 53 7.768 -9.098 11.027 398 HZ2 LYS 53 1HZ LYS 53 7.002 -10.611 11.053 399 HZ3 LYS 53 2HZ LYS 53 6.935 -9.608 12.394 400 H GLY 54 H GLY 54 4.152 -6.360 5.808 401 HA2 GLY 54 2HA GLY 54 4.662 -6.375 3.391 402 HA3 GLY 54 1HA GLY 54 2.941 -6.687 3.137 403 H ILE 55 H ILE 55 4.363 -4.448 2.112 404 HA ILE 55 HA ILE 55 3.710 -2.208 3.756 405 HB ILE 55 HB ILE 55 4.667 -2.340 0.867 406 HG12 ILE 55 2HG1 ILE 55 6.262 -3.137 2.634 407 HG13 ILE 55 1HG1 ILE 55 6.855 -1.753 1.724 408 HG21 ILE 55 1HG2 ILE 55 4.314 0.026 2.698 409 HG22 ILE 55 2HG2 ILE 55 3.404 -0.300 1.232 410 HG23 ILE 55 3HG2 ILE 55 5.126 0.099 1.130 411 HD11 ILE 55 3HD1 ILE 55 5.520 -1.536 4.389 412 HD12 ILE 55 1HD1 ILE 55 6.386 -0.301 3.510 413 HD13 ILE 55 2HD1 ILE 55 7.268 -1.677 4.185 414 H TYR 56 H TYR 56 1.854 -1.239 3.799 415 HA TYR 56 HA TYR 56 0.049 -1.560 1.563 416 HB2 TYR 56 2HB TYR 56 -1.797 -1.439 3.385 417 HB3 TYR 56 1HB TYR 56 -0.980 -2.973 3.095 418 HD1 TYR 56 2HD TYR 56 -1.119 -0.059 5.368 419 HD2 TYR 56 1HD TYR 56 0.333 -3.953 4.665 420 HE1 TYR 56 2HE TYR 56 -0.379 -0.189 7.696 421 HE2 TYR 56 1HE TYR 56 1.123 -4.125 6.883 422 HH TYR 56 HH TYR 56 1.726 -2.579 8.735 423 H VAL 57 H VAL 57 -1.542 0.034 1.490 424 HA VAL 57 HA VAL 57 -0.358 2.597 1.997 425 HB VAL 57 HB VAL 57 -2.863 1.813 0.522 426 HG11 VAL 57 1HG1 VAL 57 -2.695 4.024 -0.455 427 HG12 VAL 57 2HG1 VAL 57 -1.360 4.403 0.638 428 HG13 VAL 57 3HG1 VAL 57 -2.974 4.089 1.282 429 HG21 VAL 57 3HG2 VAL 57 -0.035 2.248 -0.319 430 HG22 VAL 57 1HG2 VAL 57 -1.387 2.459 -1.434 431 HG23 VAL 57 2HG2 VAL 57 -1.126 0.899 -0.666 432 H THR 58 H THR 58 -0.914 3.906 3.582 433 HA THR 58 HA THR 58 -3.273 3.267 5.168 434 HB THR 58 HB THR 58 -2.079 4.875 6.777 435 HG1 THR 58 1HG THR 58 -0.150 5.531 6.228 436 HG21 THR 58 3HG2 THR 58 -2.146 2.446 7.100 437 HG22 THR 58 1HG2 THR 58 -0.565 3.084 7.537 438 HG23 THR 58 2HG2 THR 58 -0.785 2.254 5.998 439 H ARG 59 H ARG 59 -1.980 5.596 2.990 440 HA ARG 59 HA ARG 59 -4.367 7.274 3.285 441 HB2 ARG 59 2HB ARG 59 -1.734 7.983 4.162 442 HB3 ARG 59 1HB ARG 59 -2.137 8.912 2.729 443 HG2 ARG 59 2HG ARG 59 -3.897 8.813 5.170 444 HG3 ARG 59 1HG ARG 59 -2.675 10.053 4.894 445 HD2 ARG 59 2HD ARG 59 -5.015 9.459 3.082 446 HD3 ARG 59 1HD ARG 59 -4.925 10.800 4.225 447 HE ARG 59 HE ARG 59 -2.732 10.774 2.386 448 HH11 ARG 59 1HH1 ARG 59 -6.104 11.855 2.750 449 HH12 ARG 59 2HH1 ARG 59 -5.965 13.052 1.536 450 HH21 ARG 59 1HH2 ARG 59 -2.608 12.379 0.712 451 HH22 ARG 59 2HH2 ARG 59 -3.998 13.300 0.315 452 H VAL 60 H VAL 60 -5.031 7.912 1.224 453 HA VAL 60 HA VAL 60 -3.095 7.593 -0.936 454 HB VAL 60 HB VAL 60 -6.091 6.807 -1.129 455 HG11 VAL 60 1HG1 VAL 60 -4.129 6.922 -3.304 456 HG12 VAL 60 2HG1 VAL 60 -5.446 8.068 -3.039 457 HG13 VAL 60 3HG1 VAL 60 -5.807 6.372 -3.394 458 HG21 VAL 60 3HG2 VAL 60 -5.276 4.675 -1.760 459 HG22 VAL 60 1HG2 VAL 60 -4.634 5.119 -0.177 460 HG23 VAL 60 2HG2 VAL 60 -3.615 5.257 -1.623 461 H SER 61 H SER 61 -3.228 9.208 -2.539 462 HA SER 61 HA SER 61 -3.878 11.737 -1.897 463 HB2 SER 61 2HB SER 61 -3.894 11.926 -4.381 464 HB3 SER 61 1HB SER 61 -2.465 11.067 -3.762 465 HG SER 61 HG SER 61 -4.778 9.692 -4.367 466 H GLU 62 H GLU 62 -5.794 12.613 -1.618 467 HA GLU 62 HA GLU 62 -8.276 11.331 -2.152 468 HB2 GLU 62 2HB GLU 62 -9.223 13.577 -1.566 469 HB3 GLU 62 1HB GLU 62 -8.167 12.865 -0.348 470 HG2 GLU 62 2HG GLU 62 -6.966 14.661 -2.334 471 HG3 GLU 62 1HG GLU 62 -7.938 15.437 -1.087 472 H GLY 63 H GLY 63 -6.214 13.450 -3.809 473 HA2 GLY 63 2HA GLY 63 -7.883 13.333 -6.193 474 HA3 GLY 63 1HA GLY 63 -7.508 14.939 -5.567 475 H GLY 64 H GLY 64 -5.735 11.943 -6.016 476 HA2 GLY 64 2HA GLY 64 -3.844 13.367 -7.715 477 HA3 GLY 64 1HA GLY 64 -3.244 12.476 -6.321 478 HA PRO 65 HA PRO 65 -3.260 9.884 -10.226 479 HB2 PRO 65 2HB PRO 65 -0.901 8.669 -9.737 480 HB3 PRO 65 1HB PRO 65 -1.018 10.221 -10.556 481 HG2 PRO 65 2HG PRO 65 -0.406 9.640 -7.682 482 HG3 PRO 65 1HG PRO 65 0.362 10.824 -8.744 483 HD2 PRO 65 2HD PRO 65 -1.508 11.505 -6.934 484 HD3 PRO 65 1HD PRO 65 -1.385 12.342 -8.502 485 H ALA 66 H ALA 66 -2.521 9.025 -6.964 486 HA ALA 66 HA ALA 66 -2.678 6.221 -7.208 487 HB1 ALA 66 1HB ALA 66 -3.234 7.919 -4.795 488 HB2 ALA 66 2HB ALA 66 -1.645 7.399 -5.327 489 HB3 ALA 66 3HB ALA 66 -2.821 6.197 -4.789 490 H GLU 67 H GLU 67 -5.176 8.512 -6.053 491 HA GLU 67 HA GLU 67 -7.162 6.503 -6.075 492 HB2 GLU 67 2HB GLU 67 -8.761 8.300 -5.666 493 HB3 GLU 67 1HB GLU 67 -7.359 8.438 -4.622 494 HG2 GLU 67 2HG GLU 67 -7.444 10.616 -5.207 495 HG3 GLU 67 1HG GLU 67 -6.635 10.050 -6.662 496 H ILE 68 H ILE 68 -6.039 8.768 -8.470 497 HA ILE 68 HA ILE 68 -8.097 8.468 -10.313 498 HB ILE 68 HB ILE 68 -5.179 9.123 -10.628 499 HG12 ILE 68 2HG1 ILE 68 -6.561 10.834 -9.596 500 HG13 ILE 68 1HG1 ILE 68 -5.995 11.361 -11.177 501 HG21 ILE 68 1HG2 ILE 68 -5.549 9.757 -12.966 502 HG22 ILE 68 2HG2 ILE 68 -7.176 9.078 -12.884 503 HG23 ILE 68 3HG2 ILE 68 -5.771 8.026 -12.701 504 HD11 ILE 68 3HD1 ILE 68 -8.767 10.352 -10.521 505 HD12 ILE 68 1HD1 ILE 68 -8.191 10.808 -12.125 506 HD13 ILE 68 2HD1 ILE 68 -8.296 12.015 -10.849 507 H ALA 69 H ALA 69 -5.137 6.609 -9.856 508 HA ALA 69 HA ALA 69 -5.599 4.825 -12.022 509 HB1 ALA 69 1HB ALA 69 -3.368 5.258 -11.153 510 HB2 ALA 69 2HB ALA 69 -3.756 3.542 -11.076 511 HB3 ALA 69 3HB ALA 69 -3.826 4.535 -9.617 512 H GLY 70 H GLY 70 -5.982 4.507 -8.517 513 HA2 GLY 70 2HA GLY 70 -8.277 3.376 -8.111 514 HA3 GLY 70 1HA GLY 70 -7.532 2.046 -8.991 515 H LEU 71 H LEU 71 -5.524 3.940 -6.925 516 HA LEU 71 HA LEU 71 -5.115 1.689 -5.207 517 HB2 LEU 71 2HB LEU 71 -3.212 3.041 -6.032 518 HB3 LEU 71 1HB LEU 71 -3.918 4.444 -5.295 519 HG LEU 71 HG LEU 71 -3.075 3.961 -3.228 520 HD11 LEU 71 1HD1 LEU 71 -4.210 1.646 -3.090 521 HD12 LEU 71 2HD1 LEU 71 -2.535 1.523 -2.557 522 HD13 LEU 71 3HD1 LEU 71 -2.986 1.019 -4.177 523 HD21 LEU 71 3HD2 LEU 71 -0.874 3.029 -3.529 524 HD22 LEU 71 1HD2 LEU 71 -1.300 4.134 -4.830 525 HD23 LEU 71 2HD2 LEU 71 -1.343 2.387 -5.099 526 H GLN 72 H GLN 72 -6.051 1.365 -3.326 527 HA GLN 72 HA GLN 72 -7.520 3.595 -2.144 528 HB2 GLN 72 2HB GLN 72 -8.124 0.632 -1.978 529 HB3 GLN 72 1HB GLN 72 -9.062 1.942 -1.267 530 HG2 GLN 72 2HG GLN 72 -8.623 1.562 -4.211 531 HG3 GLN 72 1HG GLN 72 -10.037 0.995 -3.334 532 HE21 GLN 72 1HE2 GLN 72 -8.251 3.799 -4.302 533 HE22 GLN 72 2HE2 GLN 72 -9.554 4.907 -4.296 534 H ILE 73 H ILE 73 -7.560 3.567 0.050 535 HA ILE 73 HA ILE 73 -5.200 2.800 1.446 536 HB ILE 73 HB ILE 73 -7.907 3.614 2.577 537 HG12 ILE 73 2HG1 ILE 73 -5.390 5.216 2.124 538 HG13 ILE 73 1HG1 ILE 73 -6.841 5.318 1.138 539 HG21 ILE 73 1HG2 ILE 73 -6.595 2.412 4.231 540 HG22 ILE 73 2HG2 ILE 73 -6.696 4.130 4.632 541 HG23 ILE 73 3HG2 ILE 73 -5.220 3.474 3.926 542 HD11 ILE 73 3HD1 ILE 73 -6.662 5.964 4.057 543 HD12 ILE 73 1HD1 ILE 73 -8.080 6.179 3.027 544 HD13 ILE 73 2HD1 ILE 73 -6.620 7.145 2.736 545 H GLY 74 H GLY 74 -4.734 0.959 2.613 546 HA2 GLY 74 2HA GLY 74 -5.342 -0.986 3.846 547 HA3 GLY 74 1HA GLY 74 -6.888 -1.008 3.003 548 H ASP 75 H ASP 75 -5.031 -0.307 0.587 549 HA ASP 75 HA ASP 75 -4.882 -2.971 -0.401 550 HB2 ASP 75 2HB ASP 75 -3.910 -0.334 -1.538 551 HB3 ASP 75 1HB ASP 75 -3.749 -1.856 -2.389 552 H LYS 76 H LYS 76 -3.332 -4.321 0.202 553 HA LYS 76 HA LYS 76 -0.786 -3.159 0.892 554 HB2 LYS 76 2HB LYS 76 -0.124 -5.384 1.774 555 HB3 LYS 76 1HB LYS 76 -1.567 -4.746 2.532 556 HG2 LYS 76 2HG LYS 76 -2.943 -6.252 1.214 557 HG3 LYS 76 1HG LYS 76 -1.501 -6.881 0.419 558 HD2 LYS 76 2HD LYS 76 -2.146 -8.389 2.193 559 HD3 LYS 76 1HD LYS 76 -0.634 -7.597 2.631 560 HE2 LYS 76 2HE LYS 76 -1.906 -6.006 4.034 561 HE3 LYS 76 1HE LYS 76 -3.391 -6.857 3.619 562 HZ1 LYS 76 3HZ LYS 76 -1.148 -7.788 5.308 563 HZ2 LYS 76 1HZ LYS 76 -2.231 -8.883 4.579 564 HZ3 LYS 76 2HZ LYS 76 -2.829 -7.708 5.603 565 H ILE 77 H ILE 77 0.892 -3.180 -0.278 566 HA ILE 77 HA ILE 77 0.477 -4.008 -3.014 567 HB ILE 77 HB ILE 77 2.888 -2.527 -1.974 568 HG12 ILE 77 2HG1 ILE 77 1.612 -0.439 -3.012 569 HG13 ILE 77 1HG1 ILE 77 0.180 -1.356 -2.580 570 HG21 ILE 77 1HG2 ILE 77 2.937 -1.680 -4.288 571 HG22 ILE 77 2HG2 ILE 77 1.553 -2.717 -4.656 572 HG23 ILE 77 3HG2 ILE 77 3.090 -3.429 -4.155 573 HD11 ILE 77 3HD1 ILE 77 2.339 -0.507 -0.664 574 HD12 ILE 77 1HD1 ILE 77 0.860 -1.363 -0.254 575 HD13 ILE 77 2HD1 ILE 77 0.783 0.281 -0.873 576 H MET 78 H MET 78 1.586 -5.627 -3.960 577 HA MET 78 HA MET 78 3.615 -6.921 -2.309 578 HB2 MET 78 2HB MET 78 1.686 -8.167 -4.271 579 HB3 MET 78 1HB MET 78 2.999 -9.051 -3.499 580 HG2 MET 78 2HG MET 78 0.732 -7.671 -2.064 581 HG3 MET 78 1HG MET 78 0.877 -9.411 -2.332 582 HE1 MET 78 3HE MET 78 1.642 -8.588 1.560 583 HE2 MET 78 1HE MET 78 0.429 -9.300 0.485 584 HE3 MET 78 2HE MET 78 0.695 -7.545 0.513 585 H GLN 79 H GLN 79 3.057 -5.249 -5.140 586 HA GLN 79 HA GLN 79 5.720 -5.850 -6.180 587 HB2 GLN 79 2HB GLN 79 4.345 -7.409 -7.315 588 HB3 GLN 79 1HB GLN 79 3.124 -6.196 -7.632 589 HG2 GLN 79 2HG GLN 79 4.383 -6.830 -9.595 590 HG3 GLN 79 1HG GLN 79 4.614 -5.115 -9.209 591 HE21 GLN 79 1HE2 GLN 79 6.631 -4.415 -8.724 592 HE22 GLN 79 2HE2 GLN 79 8.030 -5.439 -8.791 593 H VAL 80 H VAL 80 6.673 -3.957 -6.801 594 HA VAL 80 HA VAL 80 5.018 -1.648 -7.559 595 HB VAL 80 HB VAL 80 7.250 -1.676 -5.497 596 HG11 VAL 80 1HG1 VAL 80 7.103 0.787 -5.419 597 HG12 VAL 80 2HG1 VAL 80 6.008 0.760 -6.803 598 HG13 VAL 80 3HG1 VAL 80 7.671 0.209 -6.985 599 HG21 VAL 80 3HG2 VAL 80 5.661 -0.658 -4.025 600 HG22 VAL 80 1HG2 VAL 80 5.000 -2.138 -4.693 601 HG23 VAL 80 2HG2 VAL 80 4.440 -0.589 -5.296 602 H ASN 81 H ASN 81 5.596 -1.239 -9.508 603 HA ASN 81 HA ASN 81 6.711 -1.188 -11.430 604 HB2 ASN 81 2HB ASN 81 7.119 0.988 -10.139 605 HB3 ASN 81 1HB ASN 81 8.757 0.397 -9.950 606 HD21 ASN 81 1HD2 ASN 81 6.346 1.229 -12.378 607 HD22 ASN 81 2HD2 ASN 81 7.435 1.611 -13.613 608 H GLY 82 H GLY 82 7.145 -3.476 -10.957 609 HA2 GLY 82 2HA GLY 82 8.418 -5.242 -11.471 610 HA3 GLY 82 1HA GLY 82 9.588 -4.074 -12.130 611 H TRP 83 H TRP 83 9.208 -3.449 -8.878 612 HA TRP 83 HA TRP 83 11.512 -5.075 -8.439 613 HB2 TRP 83 2HB TRP 83 12.427 -3.436 -7.074 614 HB3 TRP 83 1HB TRP 83 11.182 -2.468 -7.818 615 HD1 TRP 83 HD TRP 83 8.912 -2.109 -6.208 616 HE1 TRP 83 1HE TRP 83 8.877 -1.730 -3.558 617 HE3 TRP 83 3HE TRP 83 13.542 -3.842 -5.031 618 HZ2 TRP 83 2HZ TRP 83 10.565 -2.042 -1.481 619 HZ3 TRP 83 3HZ TRP 83 14.287 -3.751 -2.688 620 HH2 TRP 83 HH TRP 83 12.838 -2.871 -0.946 621 H ASP 84 H ASP 84 9.504 -4.579 -5.485 622 HA ASP 84 HA ASP 84 8.092 -6.972 -5.438 623 HB2 ASP 84 2HB ASP 84 10.408 -7.984 -5.434 624 HB3 ASP 84 1HB ASP 84 10.704 -6.967 -4.008 625 H MET 85 H MET 85 6.622 -6.266 -3.961 626 HA MET 85 HA MET 85 7.668 -4.451 -1.861 627 HB2 MET 85 2HB MET 85 5.933 -3.776 -3.732 628 HB3 MET 85 1HB MET 85 4.801 -4.505 -2.602 629 HG2 MET 85 2HG MET 85 4.895 -2.156 -2.207 630 HG3 MET 85 1HG MET 85 5.668 -2.998 -0.853 631 HE1 MET 85 3HE MET 85 5.947 0.148 -1.988 632 HE2 MET 85 1HE MET 85 7.605 0.418 -1.450 633 HE3 MET 85 2HE MET 85 6.458 -0.453 -0.417 634 H THR 86 H THR 86 6.638 -7.421 -2.424 635 HA THR 86 HA THR 86 4.620 -7.866 -0.495 636 HB THR 86 HB THR 86 4.880 -9.356 -2.405 637 HG1 THR 86 1HG THR 86 4.030 -10.074 -0.331 638 HG21 THR 86 3HG2 THR 86 7.298 -9.375 -2.585 639 HG22 THR 86 1HG2 THR 86 6.686 -11.028 -2.494 640 HG23 THR 86 2HG2 THR 86 7.427 -10.273 -1.077 641 H MET 87 H MET 87 8.075 -7.829 -0.191 642 HA MET 87 HA MET 87 7.731 -8.077 2.663 643 HB2 MET 87 2HB MET 87 8.183 -10.388 1.889 644 HB3 MET 87 1HB MET 87 9.689 -9.840 1.170 645 HG2 MET 87 2HG MET 87 10.539 -9.239 3.370 646 HG3 MET 87 1HG MET 87 9.020 -9.748 4.104 647 HE1 MET 87 3HE MET 87 8.382 -12.418 2.351 648 HE2 MET 87 1HE MET 87 8.161 -12.290 4.098 649 HE3 MET 87 2HE MET 87 9.086 -13.625 3.423 650 H VAL 88 H VAL 88 8.226 -5.923 2.690 651 HA VAL 88 HA VAL 88 11.058 -5.331 2.602 652 HB VAL 88 HB VAL 88 10.320 -4.763 0.321 653 HG11 VAL 88 1HG1 VAL 88 8.363 -2.949 1.670 654 HG12 VAL 88 2HG1 VAL 88 7.967 -4.359 0.696 655 HG13 VAL 88 3HG1 VAL 88 8.702 -2.942 -0.059 656 HG21 VAL 88 3HG2 VAL 88 10.856 -2.368 2.054 657 HG22 VAL 88 1HG2 VAL 88 11.034 -2.393 0.305 658 HG23 VAL 88 2HG2 VAL 88 12.055 -3.418 1.307 659 H THR 89 H THR 89 11.644 -3.582 3.859 660 HA THR 89 HA THR 89 10.015 -3.091 6.098 661 HB THR 89 HB THR 89 11.906 -1.353 6.501 662 HG1 THR 89 1HG THR 89 13.384 -2.897 4.743 663 HG21 THR 89 3HG2 THR 89 11.705 -3.578 7.604 664 HG22 THR 89 1HG2 THR 89 13.383 -3.075 7.354 665 HG23 THR 89 2HG2 THR 89 12.655 -4.268 6.285 666 H HIS 90 H HIS 90 9.335 -1.089 6.775 667 HA HIS 90 HA HIS 90 7.849 0.494 5.024 668 HB2 HIS 90 2HB HIS 90 7.507 0.349 7.459 669 HB3 HIS 90 1HB HIS 90 8.993 1.218 7.745 670 HD1 HIS 90 1HD HIS 90 5.438 1.739 7.645 671 HD2 HIS 90 2HD HIS 90 8.738 3.975 6.482 672 HE1 HIS 90 1HE HIS 90 4.577 3.964 7.227 673 H ASP 91 H ASP 91 11.041 0.904 6.412 674 HA ASP 91 HA ASP 91 11.626 3.465 5.464 675 HB2 ASP 91 2HB ASP 91 12.872 2.180 7.198 676 HB3 ASP 91 1HB ASP 91 13.571 1.237 5.907 677 H GLN 92 H GLN 92 12.398 0.293 4.109 678 HA GLN 92 HA GLN 92 13.741 1.396 1.855 679 HB2 GLN 92 2HB GLN 92 13.086 -1.293 2.819 680 HB3 GLN 92 1HB GLN 92 13.088 -1.166 1.078 681 HG2 GLN 92 2HG GLN 92 15.269 -1.879 1.862 682 HG3 GLN 92 1HG GLN 92 15.379 -0.290 1.129 683 HE21 GLN 92 1HE2 GLN 92 14.251 -0.969 4.424 684 HE22 GLN 92 2HE2 GLN 92 15.555 -0.156 5.199 685 H ALA 93 H ALA 93 10.511 0.416 2.511 686 HA ALA 93 HA ALA 93 9.510 0.470 -0.119 687 HB1 ALA 93 1HB ALA 93 7.345 0.565 0.995 688 HB2 ALA 93 2HB ALA 93 8.160 0.926 2.511 689 HB3 ALA 93 3HB ALA 93 8.430 -0.621 1.721 690 H ARG 94 H ARG 94 9.644 2.847 2.482 691 HA ARG 94 HA ARG 94 8.272 4.886 1.195 692 HB2 ARG 94 2HB ARG 94 10.397 4.892 3.291 693 HB3 ARG 94 1HB ARG 94 9.701 6.436 2.776 694 HG2 ARG 94 2HG ARG 94 8.293 4.088 4.022 695 HG3 ARG 94 1HG ARG 94 8.794 5.548 4.860 696 HD2 ARG 94 2HD ARG 94 6.886 5.513 2.546 697 HD3 ARG 94 1HD ARG 94 6.382 5.424 4.242 698 HE ARG 94 HE ARG 94 8.028 7.667 3.373 699 HH11 ARG 94 1HH1 ARG 94 4.912 6.536 4.675 700 HH12 ARG 94 2HH1 ARG 94 4.255 8.095 4.803 701 HH21 ARG 94 1HH2 ARG 94 7.099 9.793 3.565 702 HH22 ARG 94 2HH2 ARG 94 5.500 9.966 4.124 703 H LYS 95 H LYS 95 11.528 3.823 1.106 704 HA LYS 95 HA LYS 95 12.569 5.981 -0.493 705 HB2 LYS 95 2HB LYS 95 13.855 4.859 1.330 706 HB3 LYS 95 1HB LYS 95 13.768 3.361 0.430 707 HG2 LYS 95 2HG LYS 95 15.212 4.255 -1.285 708 HG3 LYS 95 1HG LYS 95 15.185 5.846 -0.521 709 HD2 LYS 95 2HD LYS 95 17.261 4.611 0.002 710 HD3 LYS 95 1HD LYS 95 16.307 4.963 1.441 711 HE2 LYS 95 2HE LYS 95 15.438 2.673 1.434 712 HE3 LYS 95 1HE LYS 95 16.362 2.314 -0.024 713 HZ1 LYS 95 3HZ LYS 95 17.446 1.512 1.989 714 HZ2 LYS 95 1HZ LYS 95 17.541 3.077 2.609 715 HZ3 LYS 95 2HZ LYS 95 18.380 2.649 1.206 716 H ARG 96 H ARG 96 10.397 4.069 -1.334 717 HA ARG 96 HA ARG 96 11.443 3.556 -3.969 718 HB2 ARG 96 2HB ARG 96 10.287 1.490 -2.186 719 HB3 ARG 96 1HB ARG 96 9.779 1.444 -3.868 720 HG2 ARG 96 2HG ARG 96 12.662 1.456 -2.995 721 HG3 ARG 96 1HG ARG 96 11.733 -0.012 -3.341 722 HD2 ARG 96 2HD ARG 96 11.319 0.739 -5.598 723 HD3 ARG 96 1HD ARG 96 12.129 2.265 -5.283 724 HE ARG 96 HE ARG 96 13.932 0.250 -4.759 725 HH11 ARG 96 1HH1 ARG 96 12.108 1.480 -7.538 726 HH12 ARG 96 2HH1 ARG 96 13.306 1.101 -8.676 727 HH21 ARG 96 1HH2 ARG 96 15.582 -0.268 -6.347 728 HH22 ARG 96 2HH2 ARG 96 15.314 0.066 -8.000 729 H LEU 97 H LEU 97 8.537 3.887 -2.063 730 HA LEU 97 HA LEU 97 7.307 4.734 -4.545 731 HB2 LEU 97 2HB LEU 97 5.211 4.761 -3.091 732 HB3 LEU 97 1HB LEU 97 5.907 3.241 -3.648 733 HG LEU 97 HG LEU 97 6.948 3.043 -1.379 734 HD11 LEU 97 1HD1 LEU 97 6.800 5.405 -0.710 735 HD12 LEU 97 2HD1 LEU 97 6.010 4.336 0.442 736 HD13 LEU 97 3HD1 LEU 97 5.040 5.281 -0.690 737 HD21 LEU 97 3HD2 LEU 97 4.908 1.977 -2.227 738 HD22 LEU 97 1HD2 LEU 97 4.017 3.281 -1.441 739 HD23 LEU 97 2HD2 LEU 97 5.009 2.158 -0.468 740 H THR 98 H THR 98 8.307 6.143 -1.571 741 HA THR 98 HA THR 98 7.139 8.565 -2.683 742 HB THR 98 HB THR 98 6.216 8.214 -0.435 743 HG1 THR 98 1HG THR 98 7.921 10.357 -0.871 744 HG21 THR 98 3HG2 THR 98 8.019 6.971 0.590 745 HG22 THR 98 1HG2 THR 98 7.617 8.374 1.570 746 HG23 THR 98 2HG2 THR 98 9.062 8.394 0.550 747 H LYS 99 H LYS 99 9.754 7.052 -3.067 748 HA LYS 99 HA LYS 99 11.679 9.116 -2.750 749 HB2 LYS 99 2HB LYS 99 13.024 7.809 -4.308 750 HB3 LYS 99 1HB LYS 99 12.273 6.740 -3.138 751 HG2 LYS 99 2HG LYS 99 10.911 5.784 -4.636 752 HG3 LYS 99 1HG LYS 99 10.804 7.225 -5.648 753 HD2 LYS 99 2HD LYS 99 12.019 5.478 -6.801 754 HD3 LYS 99 1HD LYS 99 13.074 6.837 -6.418 755 HE2 LYS 99 2HE LYS 99 14.067 5.652 -4.626 756 HE3 LYS 99 1HE LYS 99 12.884 4.366 -4.734 757 HZ1 LYS 99 3HZ LYS 99 14.856 3.593 -5.820 758 HZ2 LYS 99 1HZ LYS 99 14.994 5.008 -6.733 759 HZ3 LYS 99 2HZ LYS 99 13.726 3.971 -7.038 760 H ARG 100 H ARG 100 12.713 9.945 -4.976 761 HA ARG 100 HA ARG 100 10.474 10.881 -6.640 762 HB2 ARG 100 2HB ARG 100 11.678 13.023 -6.875 763 HB3 ARG 100 1HB ARG 100 11.181 12.682 -5.228 764 HG2 ARG 100 2HG ARG 100 13.360 12.052 -4.609 765 HG3 ARG 100 1HG ARG 100 13.948 12.140 -6.262 766 HD2 ARG 100 2HD ARG 100 14.626 14.160 -5.105 767 HD3 ARG 100 1HD ARG 100 13.315 14.606 -6.197 768 HE ARG 100 HE ARG 100 12.654 13.912 -3.458 769 HH11 ARG 100 1HH1 ARG 100 12.897 16.522 -5.903 770 HH12 ARG 100 2HH1 ARG 100 12.155 17.658 -4.873 771 HH21 ARG 100 1HH2 ARG 100 11.633 15.568 -2.128 772 HH22 ARG 100 2HH2 ARG 100 11.432 17.137 -2.794 773 H SER 101 H SER 101 12.999 8.912 -6.771 774 HA SER 101 HA SER 101 14.280 9.775 -9.168 775 HB2 SER 101 2HB SER 101 15.334 8.245 -7.481 776 HB3 SER 101 1HB SER 101 14.231 6.984 -8.010 777 HG SER 101 HG SER 101 15.307 6.691 -9.746 778 H GLU 102 H GLU 102 11.651 7.606 -8.418 779 HA GLU 102 HA GLU 102 11.361 6.956 -11.224 780 HB2 GLU 102 2HB GLU 102 10.011 5.902 -8.752 781 HB3 GLU 102 1HB GLU 102 9.272 5.665 -10.325 782 HG2 GLU 102 2HG GLU 102 10.499 3.693 -9.752 783 HG3 GLU 102 1HG GLU 102 11.325 4.501 -11.070 784 H GLU 103 H GLU 103 8.988 6.940 -11.970 785 HA GLU 103 HA GLU 103 7.641 9.347 -11.084 786 HB2 GLU 103 2HB GLU 103 7.213 9.899 -13.509 787 HB3 GLU 103 1HB GLU 103 8.835 10.261 -12.906 788 HG2 GLU 103 2HG GLU 103 9.493 8.072 -13.945 789 HG3 GLU 103 1HG GLU 103 7.910 8.037 -14.692 790 H VAL 104 H VAL 104 7.373 6.779 -13.487 791 HA VAL 104 HA VAL 104 4.593 6.482 -12.659 792 HB VAL 104 HB VAL 104 5.927 5.285 -15.107 793 HG11 VAL 104 1HG1 VAL 104 3.137 5.341 -14.139 794 HG12 VAL 104 2HG1 VAL 104 4.144 3.929 -14.438 795 HG13 VAL 104 3HG1 VAL 104 3.565 4.915 -15.795 796 HG21 VAL 104 3HG2 VAL 104 4.075 7.652 -14.925 797 HG22 VAL 104 1HG2 VAL 104 4.697 6.918 -16.408 798 HG23 VAL 104 2HG2 VAL 104 5.807 7.714 -15.285 799 H VAL 105 H VAL 105 4.071 4.799 -11.548 800 HA VAL 105 HA VAL 105 5.997 2.615 -11.403 801 HB VAL 105 HB VAL 105 5.207 2.272 -9.013 802 HG11 VAL 105 1HG1 VAL 105 6.658 4.852 -9.662 803 HG12 VAL 105 2HG1 VAL 105 7.404 3.258 -9.544 804 HG13 VAL 105 3HG1 VAL 105 6.706 4.012 -8.112 805 HG21 VAL 105 3HG2 VAL 105 4.270 5.106 -9.337 806 HG22 VAL 105 1HG2 VAL 105 4.196 4.103 -7.892 807 HG23 VAL 105 2HG2 VAL 105 3.195 3.709 -9.306 808 H ARG 106 H ARG 106 5.101 0.517 -10.973 809 HA ARG 106 HA ARG 106 2.338 0.280 -11.938 810 HB2 ARG 106 2HB ARG 106 4.665 -1.575 -12.516 811 HB3 ARG 106 1HB ARG 106 3.046 -1.704 -13.169 812 HG2 ARG 106 2HG ARG 106 3.394 0.350 -14.437 813 HG3 ARG 106 1HG ARG 106 5.021 0.479 -13.765 814 HD2 ARG 106 2HD ARG 106 3.948 -1.700 -15.542 815 HD3 ARG 106 1HD ARG 106 5.175 -0.503 -15.955 816 HE ARG 106 HE ARG 106 5.484 -2.755 -14.095 817 HH11 ARG 106 1HH1 ARG 106 7.036 -0.150 -15.997 818 HH12 ARG 106 2HH1 ARG 106 8.552 -0.862 -15.966 819 HH21 ARG 106 1HH2 ARG 106 7.624 -3.718 -14.069 820 HH22 ARG 106 2HH2 ARG 106 8.912 -2.934 -14.867 821 H LEU 107 H LEU 107 1.332 -0.357 -10.103 822 HA LEU 107 HA LEU 107 2.898 -2.000 -8.263 823 HB2 LEU 107 2HB LEU 107 0.446 -0.470 -7.555 824 HB3 LEU 107 1HB LEU 107 1.670 -1.096 -6.477 825 HG LEU 107 HG LEU 107 2.037 1.161 -6.362 826 HD11 LEU 107 1HD1 LEU 107 4.006 1.783 -7.406 827 HD12 LEU 107 2HD1 LEU 107 3.796 0.542 -8.637 828 HD13 LEU 107 3HD1 LEU 107 4.087 0.071 -6.971 829 HD21 LEU 107 3HD2 LEU 107 0.368 1.827 -7.978 830 HD22 LEU 107 1HD2 LEU 107 1.471 1.445 -9.300 831 HD23 LEU 107 2HD2 LEU 107 1.847 2.754 -8.169 832 H LEU 108 H LEU 108 1.882 -3.676 -7.310 833 HA LEU 108 HA LEU 108 -0.788 -4.348 -8.286 834 HB2 LEU 108 2HB LEU 108 1.585 -5.884 -8.548 835 HB3 LEU 108 1HB LEU 108 0.449 -6.785 -7.543 836 HG LEU 108 HG LEU 108 -1.178 -6.234 -9.503 837 HD11 LEU 108 1HD1 LEU 108 1.478 -5.874 -10.866 838 HD12 LEU 108 2HD1 LEU 108 0.230 -4.649 -10.647 839 HD13 LEU 108 3HD1 LEU 108 -0.076 -6.048 -11.680 840 HD21 LEU 108 3HD2 LEU 108 -0.471 -8.250 -10.693 841 HD22 LEU 108 1HD2 LEU 108 -0.455 -8.471 -8.948 842 HD23 LEU 108 2HD2 LEU 108 1.060 -8.222 -9.817 843 H VAL 109 H VAL 109 -2.161 -4.447 -6.783 844 HA VAL 109 HA VAL 109 -1.159 -4.802 -4.070 845 HB VAL 109 HB VAL 109 -2.952 -3.417 -3.217 846 HG11 VAL 109 1HG1 VAL 109 -2.169 -1.250 -3.979 847 HG12 VAL 109 2HG1 VAL 109 -1.483 -2.003 -5.420 848 HG13 VAL 109 3HG1 VAL 109 -0.821 -2.391 -3.837 849 HG21 VAL 109 3HG2 VAL 109 -3.673 -2.902 -6.072 850 HG22 VAL 109 1HG2 VAL 109 -4.404 -2.119 -4.680 851 HG23 VAL 109 2HG2 VAL 109 -4.639 -3.852 -4.941 852 H THR 110 H THR 110 -2.299 -5.930 -2.636 853 HA THR 110 HA THR 110 -4.339 -7.637 -3.818 854 HB THR 110 HB THR 110 -3.663 -9.358 -2.163 855 HG1 THR 110 1HG THR 110 -1.793 -7.356 -1.496 856 HG21 THR 110 3HG2 THR 110 -1.456 -8.466 -4.021 857 HG22 THR 110 1HG2 THR 110 -2.817 -9.506 -4.440 858 HG23 THR 110 2HG2 THR 110 -1.591 -10.072 -3.306 859 H ARG 111 H ARG 111 -6.217 -7.598 -2.878 860 HA ARG 111 HA ARG 111 -6.483 -6.111 -0.384 861 HB2 ARG 111 2HB ARG 111 -8.483 -6.668 -2.588 862 HB3 ARG 111 1HB ARG 111 -8.877 -5.877 -1.058 863 HG2 ARG 111 2HG ARG 111 -7.379 -4.060 -1.562 864 HG3 ARG 111 1HG ARG 111 -6.843 -4.871 -3.027 865 HD2 ARG 111 2HD ARG 111 -9.036 -4.591 -4.013 866 HD3 ARG 111 1HD ARG 111 -9.652 -3.870 -2.517 867 HE ARG 111 HE ARG 111 -7.660 -2.287 -2.922 868 HH11 ARG 111 1HH1 ARG 111 -10.000 -3.341 -5.378 869 HH12 ARG 111 2HH1 ARG 111 -9.694 -2.008 -6.411 870 HH21 ARG 111 1HH2 ARG 111 -7.200 -0.606 -4.321 871 HH22 ARG 111 2HH2 ARG 111 -8.023 -0.367 -5.798 872 H GLN 112 H GLN 112 -6.549 -7.373 1.233 873 HA GLN 112 HA GLN 112 -7.221 -10.152 0.914 874 HB2 GLN 112 2HB GLN 112 -6.453 -8.595 3.382 875 HB3 GLN 112 1HB GLN 112 -6.489 -10.341 3.217 876 HG2 GLN 112 2HG GLN 112 -4.666 -8.488 1.701 877 HG3 GLN 112 1HG GLN 112 -4.194 -9.431 3.126 878 HE21 GLN 112 1HE2 GLN 112 -4.730 -9.386 -0.233 879 HE22 GLN 112 2HE2 GLN 112 -4.250 -11.021 -0.555 880 H SER 113 H SER 113 -8.265 -7.383 2.875 881 HA SER 113 HA SER 113 -10.097 -6.940 4.093 882 HB2 SER 113 2HB SER 113 -11.334 -8.225 1.673 883 HB3 SER 113 1HB SER 113 -12.155 -7.084 2.760 884 HG SER 113 HG SER 113 -10.936 -6.440 0.642 885 H LEU 114 H LEU 114 -8.894 -9.326 4.856 886 HA LEU 114 HA LEU 114 -10.781 -11.455 4.987 887 HB2 LEU 114 2HB LEU 114 -8.299 -11.805 5.003 888 HB3 LEU 114 1HB LEU 114 -8.257 -11.139 6.621 889 HG LEU 114 HG LEU 114 -9.694 -13.008 7.406 890 HD11 LEU 114 1HD1 LEU 114 -10.836 -13.523 5.329 891 HD12 LEU 114 2HD1 LEU 114 -10.028 -14.953 5.964 892 HD13 LEU 114 3HD1 LEU 114 -9.320 -14.070 4.613 893 HD21 LEU 114 3HD2 LEU 114 -7.992 -14.751 7.275 894 HD22 LEU 114 1HD2 LEU 114 -7.275 -13.176 7.606 895 HD23 LEU 114 2HD2 LEU 114 -7.180 -13.867 5.985 896 H GLN 115 H GLN 115 -11.823 -12.250 6.742 897 HA GLN 115 HA GLN 115 -13.389 -10.551 8.173 898 HB2 GLN 115 2HB GLN 115 -13.999 -12.550 9.530 899 HB3 GLN 115 1HB GLN 115 -14.089 -12.791 7.791 900 HG2 GLN 115 2HG GLN 115 -11.907 -13.961 7.880 901 HG3 GLN 115 1HG GLN 115 -11.885 -13.738 9.626 902 HE21 GLN 115 1HE2 GLN 115 -13.239 -15.486 6.991 903 HE22 GLN 115 2HE2 GLN 115 -14.031 -16.692 7.941 904 H LYS 116 H LYS 116 -10.711 -12.402 9.657 905 HA LYS 116 HA LYS 116 -10.310 -10.357 11.641 906 HB2 LYS 116 2HB LYS 116 -11.054 -13.223 12.294 907 HB3 LYS 116 1HB LYS 116 -10.322 -12.124 13.445 908 HG2 LYS 116 2HG LYS 116 -12.996 -11.707 12.117 909 HG3 LYS 116 1HG LYS 116 -12.757 -12.363 13.736 910 HD2 LYS 116 2HD LYS 116 -11.697 -10.284 14.442 911 HD3 LYS 116 1HD LYS 116 -11.858 -9.630 12.812 912 HE2 LYS 116 2HE LYS 116 -13.586 -8.777 14.320 913 HE3 LYS 116 1HE LYS 116 -14.274 -9.710 12.991 914 HZ1 LYS 116 3HZ LYS 116 -13.811 -10.742 15.733 915 HZ2 LYS 116 1HZ LYS 116 -14.571 -11.563 14.469 916 HZ3 LYS 116 2HZ LYS 116 -15.291 -10.198 15.146 917 H ALA 117 H ALA 117 -8.408 -11.338 13.071 918 HA ALA 117 HA ALA 117 -6.287 -11.540 11.250 919 HB1 ALA 117 1HB ALA 117 -4.819 -11.648 13.171 920 HB2 ALA 117 2HB ALA 117 -6.180 -12.015 14.225 921 HB3 ALA 117 3HB ALA 117 -6.078 -10.441 13.437 922 H VAL 118 H VAL 118 -6.532 -13.909 13.906 923 HA VAL 118 HA VAL 118 -6.762 -16.022 12.129 924 HB VAL 118 HB VAL 118 -4.532 -15.458 11.412 925 HG11 VAL 118 1HG1 VAL 118 -2.547 -15.623 12.833 926 HG12 VAL 118 2HG1 VAL 118 -3.594 -15.822 14.240 927 HG13 VAL 118 3HG1 VAL 118 -3.638 -14.322 13.315 928 HG21 VAL 118 3HG2 VAL 118 -3.395 -17.606 11.699 929 HG22 VAL 118 1HG2 VAL 118 -5.119 -17.821 11.387 930 HG23 VAL 118 2HG2 VAL 118 -4.489 -18.002 13.027 931 H GLN 119 H GLN 119 -8.346 -16.301 13.685 932 HA GLN 119 HA GLN 119 -7.272 -18.156 15.679 933 HB2 GLN 119 2HB GLN 119 -9.292 -17.888 17.087 934 HB3 GLN 119 1HB GLN 119 -8.387 -16.399 16.952 935 HG2 GLN 119 2HG GLN 119 -10.818 -16.962 15.273 936 HG3 GLN 119 1HG GLN 119 -10.937 -16.284 16.889 937 HE21 GLN 119 1HE2 GLN 119 -8.494 -14.660 16.550 938 HE22 GLN 119 2HE2 GLN 119 -8.969 -13.368 15.507 939 H GLN 120 H GLN 120 -8.662 -17.829 12.860 940 HA GLN 120 HA GLN 120 -9.630 -20.541 12.828 941 HB2 GLN 120 2HB GLN 120 -11.361 -19.887 11.214 942 HB3 GLN 120 1HB GLN 120 -11.609 -19.017 12.710 943 HG2 GLN 120 2HG GLN 120 -10.241 -17.823 10.298 944 HG3 GLN 120 1HG GLN 120 -11.966 -17.674 10.607 945 HE21 GLN 120 1HE2 GLN 120 -12.650 -16.386 12.317 946 HE22 GLN 120 2HE2 GLN 120 -11.593 -15.255 13.096 947 H SER 121 H SER 121 -9.078 -21.517 10.787 948 HA SER 121 HA SER 121 -7.688 -21.967 9.068 949 HB2 SER 121 2HB SER 121 -7.838 -18.959 8.637 950 HB3 SER 121 1HB SER 121 -7.156 -20.100 7.475 951 HG SER 121 HG SER 121 -9.771 -20.428 8.484 952 H MET 122 H MET 122 -6.654 -21.686 11.612 953 HA MET 122 HA MET 122 -4.292 -20.122 11.760 954 HB2 MET 122 2HB MET 122 -5.138 -22.520 13.388 955 HB3 MET 122 1HB MET 122 -3.771 -21.482 13.759 956 HG2 MET 122 2HG MET 122 -5.250 -19.606 14.127 957 HG3 MET 122 1HG MET 122 -6.643 -20.570 13.645 958 HE1 MET 122 3HE MET 122 -4.183 -21.235 17.510 959 HE2 MET 122 1HE MET 122 -3.880 -19.939 16.353 960 HE3 MET 122 2HE MET 122 -3.536 -21.611 15.912 961 H LEU 123 H LEU 123 -2.561 -20.444 10.657 962 HA LEU 123 HA LEU 123 -1.871 -22.898 9.366 963 HB2 LEU 123 2HB LEU 123 -0.184 -20.436 9.921 964 HB3 LEU 123 1HB LEU 123 0.330 -21.772 8.928 965 HG LEU 123 HG LEU 123 -1.585 -21.194 7.357 966 HD11 LEU 123 1HD1 LEU 123 -1.663 -18.662 8.984 967 HD12 LEU 123 2HD1 LEU 123 -2.953 -19.861 8.843 968 HD13 LEU 123 3HD1 LEU 123 -2.464 -18.923 7.434 969 HD21 LEU 123 3HD2 LEU 123 0.723 -20.637 6.854 970 HD22 LEU 123 1HD2 LEU 123 0.580 -19.148 7.788 971 HD23 LEU 123 2HD2 LEU 123 -0.356 -19.353 6.310 972 H SER 124 H SER 124 -0.821 -21.141 12.174 973 HA SER 124 HA SER 124 0.166 -23.569 13.387 974 HB2 SER 124 2HB SER 124 1.615 -20.895 13.373 975 HB3 SER 124 1HB SER 124 2.095 -22.311 14.308 976 HG SER 124 HG SER 124 2.204 -21.878 11.530 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -0.701 -4.068 -21.711 2 H2 GLY 1 2HT GLY 1 -0.990 -4.850 -20.245 3 H3 GLY 1 3HT GLY 1 -2.120 -4.971 -21.484 4 HA2 GLY 1 1HA GLY 1 -0.534 -6.185 -22.827 5 HA3 GLY 1 2HA GLY 1 0.595 -6.101 -21.477 6 H SER 2 H SER 2 0.200 -8.548 -22.037 7 HA SER 2 HA SER 2 -2.269 -9.590 -20.962 8 HB2 SER 2 2HB SER 2 0.134 -11.080 -22.025 9 HB3 SER 2 1HB SER 2 -1.498 -11.708 -21.804 10 HG SER 2 HG SER 2 -0.896 -11.054 -23.983 11 H TYR 3 H TYR 3 -2.197 -9.266 -18.700 12 HA TYR 3 HA TYR 3 -0.371 -11.073 -17.353 13 HB2 TYR 3 2HB TYR 3 0.602 -8.826 -17.025 14 HB3 TYR 3 1HB TYR 3 -0.945 -8.236 -16.426 15 HD1 TYR 3 1HD TYR 3 1.863 -10.492 -15.698 16 HD2 TYR 3 2HD TYR 3 -1.612 -8.621 -14.168 17 HE1 TYR 3 1HE TYR 3 2.493 -11.223 -13.426 18 HE2 TYR 3 2HE TYR 3 -1.011 -9.335 -11.878 19 HH TYR 3 HH TYR 3 2.085 -10.559 -11.134 20 H ILE 4 H ILE 4 -1.359 -12.294 -15.900 21 HA ILE 4 HA ILE 4 -4.032 -11.515 -15.051 22 HB ILE 4 HB ILE 4 -4.276 -13.306 -16.681 23 HG12 ILE 4 2HG1 ILE 4 -5.281 -15.160 -15.266 24 HG13 ILE 4 1HG1 ILE 4 -4.708 -14.277 -13.857 25 HG21 ILE 4 1HG2 ILE 4 -2.098 -14.245 -16.708 26 HG22 ILE 4 2HG2 ILE 4 -3.283 -15.522 -16.448 27 HG23 ILE 4 3HG2 ILE 4 -2.318 -14.925 -15.096 28 HD11 ILE 4 3HD1 ILE 4 -6.090 -12.346 -14.565 29 HD12 ILE 4 1HD1 ILE 4 -7.039 -13.803 -14.262 30 HD13 ILE 4 2HD1 ILE 4 -6.676 -13.310 -15.911 31 HA PRO 5 HA PRO 5 -1.730 -11.664 -11.217 32 HB2 PRO 5 2HB PRO 5 -3.918 -11.306 -9.620 33 HB3 PRO 5 1HB PRO 5 -2.939 -9.987 -10.300 34 HG2 PRO 5 2HG PRO 5 -5.587 -11.045 -11.118 35 HG3 PRO 5 1HG PRO 5 -4.901 -9.420 -11.301 36 HD2 PRO 5 2HD PRO 5 -5.167 -11.219 -13.317 37 HD3 PRO 5 1HD PRO 5 -3.961 -9.912 -13.310 38 H GLY 6 H GLY 6 -1.819 -12.711 -9.181 39 HA2 GLY 6 2HA GLY 6 -2.815 -15.435 -9.398 40 HA3 GLY 6 1HA GLY 6 -1.582 -14.860 -8.289 41 H GLN 7 H GLN 7 -4.868 -13.848 -8.993 42 HA GLN 7 HA GLN 7 -5.639 -13.326 -6.350 43 HB2 GLN 7 2HB GLN 7 -6.972 -12.336 -7.932 44 HB3 GLN 7 1HB GLN 7 -7.097 -13.786 -8.927 45 HG2 GLN 7 2HG GLN 7 -8.631 -14.737 -7.249 46 HG3 GLN 7 1HG GLN 7 -8.494 -13.253 -6.304 47 HE21 GLN 7 1HE2 GLN 7 -9.569 -11.452 -6.966 48 HE22 GLN 7 2HE2 GLN 7 -10.711 -11.473 -8.269 49 HA PRO 8 HA PRO 8 -6.110 -17.528 -5.019 50 HB2 PRO 8 2HB PRO 8 -6.891 -17.035 -2.479 51 HB3 PRO 8 1HB PRO 8 -5.215 -16.835 -3.004 52 HG2 PRO 8 2HG PRO 8 -7.284 -14.763 -2.463 53 HG3 PRO 8 1HG PRO 8 -5.527 -14.667 -2.295 54 HD2 PRO 8 2HD PRO 8 -7.052 -13.640 -4.437 55 HD3 PRO 8 1HD PRO 8 -5.304 -13.860 -4.344 56 H VAL 9 H VAL 9 -8.586 -16.001 -3.033 57 HA VAL 9 HA VAL 9 -10.648 -16.971 -4.830 58 HB VAL 9 HB VAL 9 -12.030 -17.865 -2.899 59 HG11 VAL 9 1HG1 VAL 9 -10.882 -20.024 -2.734 60 HG12 VAL 9 2HG1 VAL 9 -9.425 -19.290 -3.406 61 HG13 VAL 9 3HG1 VAL 9 -10.886 -19.408 -4.385 62 HG21 VAL 9 3HG2 VAL 9 -10.880 -18.540 -0.833 63 HG22 VAL 9 1HG2 VAL 9 -10.870 -16.786 -1.038 64 HG23 VAL 9 2HG2 VAL 9 -9.418 -17.726 -1.390 65 H THR 10 H THR 10 -10.121 -15.119 -1.824 66 HA THR 10 HA THR 10 -12.447 -13.528 -2.532 67 HB THR 10 HB THR 10 -12.498 -14.389 -0.286 68 HG1 THR 10 1HG THR 10 -13.316 -12.307 -0.478 69 HG21 THR 10 3HG2 THR 10 -10.763 -13.680 1.412 70 HG22 THR 10 1HG2 THR 10 -9.797 -13.096 0.050 71 HG23 THR 10 2HG2 THR 10 -10.202 -14.799 0.161 72 H ALA 11 H ALA 11 -9.015 -13.077 -1.684 73 HA ALA 11 HA ALA 11 -9.112 -10.269 -1.916 74 HB1 ALA 11 1HB ALA 11 -6.701 -12.068 -2.024 75 HB2 ALA 11 2HB ALA 11 -7.409 -11.360 -0.558 76 HB3 ALA 11 3HB ALA 11 -6.719 -10.316 -1.814 77 H VAL 12 H VAL 12 -8.691 -9.002 -3.507 78 HA VAL 12 HA VAL 12 -8.364 -10.243 -6.141 79 HB VAL 12 HB VAL 12 -9.306 -7.419 -5.546 80 HG11 VAL 12 1HG1 VAL 12 -9.339 -8.982 -8.118 81 HG12 VAL 12 2HG1 VAL 12 -8.270 -7.638 -7.724 82 HG13 VAL 12 3HG1 VAL 12 -10.005 -7.365 -7.880 83 HG21 VAL 12 3HG2 VAL 12 -11.553 -8.191 -6.144 84 HG22 VAL 12 1HG2 VAL 12 -10.934 -9.036 -4.725 85 HG23 VAL 12 2HG2 VAL 12 -10.943 -9.839 -6.294 86 H VAL 13 H VAL 13 -6.255 -10.356 -6.526 87 HA VAL 13 HA VAL 13 -4.503 -8.190 -5.793 88 HB VAL 13 HB VAL 13 -3.882 -10.353 -7.789 89 HG11 VAL 13 1HG1 VAL 13 -1.557 -10.059 -6.968 90 HG12 VAL 13 2HG1 VAL 13 -2.142 -8.743 -5.943 91 HG13 VAL 13 3HG1 VAL 13 -2.257 -8.612 -7.696 92 HG21 VAL 13 3HG2 VAL 13 -3.022 -11.799 -6.013 93 HG22 VAL 13 1HG2 VAL 13 -4.741 -11.495 -5.801 94 HG23 VAL 13 2HG2 VAL 13 -3.571 -10.657 -4.790 95 H GLN 14 H GLN 14 -4.155 -6.478 -7.089 96 HA GLN 14 HA GLN 14 -4.906 -6.642 -9.890 97 HB2 GLN 14 2HB GLN 14 -6.425 -4.718 -9.730 98 HB3 GLN 14 1HB GLN 14 -6.997 -6.078 -8.782 99 HG2 GLN 14 2HG GLN 14 -7.292 -4.545 -7.120 100 HG3 GLN 14 1HG GLN 14 -5.549 -4.645 -6.962 101 HE21 GLN 14 1HE2 GLN 14 -4.289 -3.049 -7.770 102 HE22 GLN 14 2HE2 GLN 14 -4.944 -1.515 -8.207 103 H ARG 15 H ARG 15 -4.124 -4.862 -11.144 104 HA ARG 15 HA ARG 15 -1.663 -3.872 -9.978 105 HB2 ARG 15 2HB ARG 15 -0.909 -3.435 -12.230 106 HB3 ARG 15 1HB ARG 15 -1.668 -5.012 -12.231 107 HG2 ARG 15 2HG ARG 15 -2.497 -4.124 -14.191 108 HG3 ARG 15 1HG ARG 15 -3.767 -3.643 -13.069 109 HD2 ARG 15 2HD ARG 15 -2.494 -1.456 -12.790 110 HD3 ARG 15 1HD ARG 15 -1.524 -1.956 -14.171 111 HE ARG 15 HE ARG 15 -4.394 -1.940 -14.506 112 HH11 ARG 15 1HH1 ARG 15 -1.312 -0.317 -15.203 113 HH12 ARG 15 2HH1 ARG 15 -1.979 0.839 -16.253 114 HH21 ARG 15 1HH2 ARG 15 -5.306 -0.357 -15.931 115 HH22 ARG 15 2HH2 ARG 15 -4.323 0.800 -16.698 116 H VAL 16 H VAL 16 -1.145 -1.668 -9.914 117 HA VAL 16 HA VAL 16 -3.304 0.214 -10.599 118 HB VAL 16 HB VAL 16 -1.453 1.230 -8.590 119 HG11 VAL 16 1HG1 VAL 16 -3.211 2.441 -9.380 120 HG12 VAL 16 2HG1 VAL 16 -3.369 2.216 -7.651 121 HG13 VAL 16 3HG1 VAL 16 -4.397 1.294 -8.763 122 HG21 VAL 16 3HG2 VAL 16 -3.342 -0.946 -7.659 123 HG22 VAL 16 1HG2 VAL 16 -2.435 0.156 -6.625 124 HG23 VAL 16 2HG2 VAL 16 -1.588 -1.017 -7.632 125 H GLU 17 H GLU 17 -2.453 2.221 -11.383 126 HA GLU 17 HA GLU 17 0.402 2.172 -11.705 127 HB2 GLU 17 2HB GLU 17 -0.519 1.223 -13.749 128 HB3 GLU 17 1HB GLU 17 -1.537 2.634 -13.960 129 HG2 GLU 17 2HG GLU 17 0.301 4.006 -14.491 130 HG3 GLU 17 1HG GLU 17 1.447 2.800 -13.907 131 H ILE 18 H ILE 18 1.088 3.783 -10.700 132 HA ILE 18 HA ILE 18 -0.528 6.191 -10.616 133 HB ILE 18 HB ILE 18 1.632 5.164 -8.788 134 HG12 ILE 18 2HG1 ILE 18 0.014 6.180 -7.038 135 HG13 ILE 18 1HG1 ILE 18 -1.078 6.373 -8.399 136 HG21 ILE 18 1HG2 ILE 18 0.947 8.085 -9.016 137 HG22 ILE 18 2HG2 ILE 18 2.497 7.328 -9.357 138 HG23 ILE 18 3HG2 ILE 18 1.870 7.355 -7.709 139 HD11 ILE 18 3HD1 ILE 18 0.030 3.763 -7.477 140 HD12 ILE 18 1HD1 ILE 18 -1.224 4.008 -8.697 141 HD13 ILE 18 2HD1 ILE 18 -1.514 4.425 -6.989 142 H HIS 19 H HIS 19 -0.007 7.891 -11.623 143 HA HIS 19 HA HIS 19 2.499 7.947 -13.127 144 HB2 HIS 19 2HB HIS 19 -0.085 9.472 -13.371 145 HB3 HIS 19 1HB HIS 19 1.338 9.881 -14.348 146 HD1 HIS 19 1HD HIS 19 -0.994 9.270 -16.000 147 HD2 HIS 19 2HD HIS 19 1.276 6.247 -14.330 148 HE1 HIS 19 1HE HIS 19 -1.457 7.228 -17.391 149 H LYS 20 H LYS 20 3.920 9.593 -12.833 150 HA LYS 20 HA LYS 20 4.594 10.754 -10.536 151 HB2 LYS 20 2HB LYS 20 5.407 12.764 -11.809 152 HB3 LYS 20 1HB LYS 20 6.089 11.211 -12.259 153 HG2 LYS 20 2HG LYS 20 4.561 11.199 -14.213 154 HG3 LYS 20 1HG LYS 20 3.896 12.744 -13.682 155 HD2 LYS 20 2HD LYS 20 6.082 13.790 -13.940 156 HD3 LYS 20 1HD LYS 20 6.780 12.242 -14.412 157 HE2 LYS 20 2HE LYS 20 4.607 13.704 -15.907 158 HE3 LYS 20 1HE LYS 20 6.314 13.712 -16.336 159 HZ1 LYS 20 3HZ LYS 20 4.455 11.377 -16.417 160 HZ2 LYS 20 1HZ LYS 20 6.139 11.243 -16.545 161 HZ3 LYS 20 2HZ LYS 20 5.295 12.110 -17.682 162 H LEU 21 H LEU 21 3.846 12.030 -9.050 163 HA LEU 21 HA LEU 21 2.104 14.240 -9.833 164 HB2 LEU 21 2HB LEU 21 0.840 12.633 -8.602 165 HB3 LEU 21 1HB LEU 21 2.050 12.570 -7.328 166 HG LEU 21 HG LEU 21 1.571 15.010 -6.972 167 HD11 LEU 21 1HD1 LEU 21 -0.835 14.372 -8.673 168 HD12 LEU 21 2HD1 LEU 21 0.453 15.518 -9.040 169 HD13 LEU 21 3HD1 LEU 21 -0.646 15.826 -7.694 170 HD21 LEU 21 3HD2 LEU 21 -0.652 13.042 -6.417 171 HD22 LEU 21 1HD2 LEU 21 -0.421 14.580 -5.590 172 HD23 LEU 21 2HD2 LEU 21 0.783 13.303 -5.424 173 H ARG 22 H ARG 22 3.074 16.085 -9.548 174 HA ARG 22 HA ARG 22 5.377 16.366 -7.796 175 HB2 ARG 22 2HB ARG 22 4.131 18.138 -9.884 176 HB3 ARG 22 1HB ARG 22 5.333 18.751 -8.761 177 HG2 ARG 22 2HG ARG 22 5.806 16.412 -10.597 178 HG3 ARG 22 1HG ARG 22 6.241 18.081 -10.986 179 HD2 ARG 22 2HD ARG 22 7.589 18.164 -8.929 180 HD3 ARG 22 1HD ARG 22 7.227 16.475 -8.631 181 HE ARG 22 HE ARG 22 8.308 16.405 -11.089 182 HH11 ARG 22 1HH1 ARG 22 9.347 17.853 -8.044 183 HH12 ARG 22 2HH1 ARG 22 11.012 17.713 -8.333 184 HH21 ARG 22 1HH2 ARG 22 10.648 16.165 -11.529 185 HH22 ARG 22 2HH2 ARG 22 11.765 16.722 -10.374 186 H GLN 23 H GLN 23 5.009 16.784 -5.675 187 HA GLN 23 HA GLN 23 2.854 18.659 -5.038 188 HB2 GLN 23 2HB GLN 23 4.091 16.398 -3.489 189 HB3 GLN 23 1HB GLN 23 2.918 17.525 -2.825 190 HG2 GLN 23 2HG GLN 23 2.401 15.714 -5.159 191 HG3 GLN 23 1HG GLN 23 1.990 15.319 -3.492 192 HE21 GLN 23 1HE2 GLN 23 0.446 16.455 -2.490 193 HE22 GLN 23 2HE2 GLN 23 -0.767 17.361 -3.319 194 H GLY 24 H GLY 24 3.892 20.553 -4.726 195 HA2 GLY 24 2HA GLY 24 5.275 22.093 -3.719 196 HA3 GLY 24 1HA GLY 24 5.821 20.799 -2.655 197 H GLU 25 H GLU 25 7.818 20.138 -2.867 198 HA GLU 25 HA GLU 25 9.172 20.650 -5.409 199 HB2 GLU 25 2HB GLU 25 10.373 20.361 -2.652 200 HB3 GLU 25 1HB GLU 25 11.285 20.590 -4.128 201 HG2 GLU 25 2HG GLU 25 10.256 22.802 -4.409 202 HG3 GLU 25 1HG GLU 25 9.373 22.564 -2.900 203 H ASN 26 H ASN 26 7.537 18.317 -4.242 204 HA ASN 26 HA ASN 26 9.653 16.254 -4.413 205 HB2 ASN 26 2HB ASN 26 6.918 15.712 -3.311 206 HB3 ASN 26 1HB ASN 26 8.403 14.827 -3.030 207 HD21 ASN 26 1HD2 ASN 26 6.467 17.387 -2.258 208 HD22 ASN 26 2HD2 ASN 26 7.252 18.010 -0.886 209 H LEU 27 H LEU 27 8.813 14.234 -5.165 210 HA LEU 27 HA LEU 27 6.698 14.422 -7.152 211 HB2 LEU 27 2HB LEU 27 9.121 14.264 -8.015 212 HB3 LEU 27 1HB LEU 27 9.215 12.726 -7.216 213 HG LEU 27 HG LEU 27 8.925 12.482 -9.636 214 HD11 LEU 27 1HD1 LEU 27 7.060 10.919 -9.692 215 HD12 LEU 27 2HD1 LEU 27 6.520 11.508 -8.117 216 HD13 LEU 27 3HD1 LEU 27 8.072 10.684 -8.265 217 HD21 LEU 27 3HD2 LEU 27 7.657 14.535 -9.984 218 HD22 LEU 27 1HD2 LEU 27 6.239 13.774 -9.264 219 HD23 LEU 27 2HD2 LEU 27 6.941 13.132 -10.762 220 H ILE 28 H ILE 28 5.101 13.206 -6.198 221 HA ILE 28 HA ILE 28 5.997 10.971 -4.503 222 HB ILE 28 HB ILE 28 3.369 12.199 -3.853 223 HG12 ILE 28 2HG1 ILE 28 5.970 13.614 -3.093 224 HG13 ILE 28 1HG1 ILE 28 4.675 14.259 -4.066 225 HG21 ILE 28 1HG2 ILE 28 5.641 11.175 -2.198 226 HG22 ILE 28 2HG2 ILE 28 4.171 10.287 -2.637 227 HG23 ILE 28 3HG2 ILE 28 4.083 11.708 -1.580 228 HD11 ILE 28 3HD1 ILE 28 4.631 15.143 -1.799 229 HD12 ILE 28 1HD1 ILE 28 4.379 13.514 -1.171 230 HD13 ILE 28 2HD1 ILE 28 3.162 14.270 -2.206 231 H LEU 29 H LEU 29 4.337 9.299 -4.349 232 HA LEU 29 HA LEU 29 2.862 8.965 -6.812 233 HB2 LEU 29 2HB LEU 29 2.969 7.220 -4.366 234 HB3 LEU 29 1HB LEU 29 2.307 6.757 -5.906 235 HG LEU 29 HG LEU 29 5.168 7.134 -5.132 236 HD11 LEU 29 1HD1 LEU 29 4.284 5.027 -4.566 237 HD12 LEU 29 2HD1 LEU 29 5.334 4.811 -5.969 238 HD13 LEU 29 3HD1 LEU 29 3.575 4.829 -6.161 239 HD21 LEU 29 3HD2 LEU 29 5.801 6.664 -7.463 240 HD22 LEU 29 1HD2 LEU 29 4.919 8.187 -7.331 241 HD23 LEU 29 2HD2 LEU 29 4.107 6.742 -7.938 242 H GLY 30 H GLY 30 2.404 10.492 -3.975 243 HA2 GLY 30 2HA GLY 30 0.458 11.699 -3.450 244 HA3 GLY 30 1HA GLY 30 -0.435 10.525 -4.403 245 H PHE 31 H PHE 31 0.286 8.122 -3.266 246 HA PHE 31 HA PHE 31 -1.220 8.300 -0.837 247 HB2 PHE 31 2HB PHE 31 -1.486 5.903 -1.027 248 HB3 PHE 31 1HB PHE 31 -1.721 6.642 -2.588 249 HD1 PHE 31 2HD PHE 31 -0.137 6.336 -4.370 250 HD2 PHE 31 1HD PHE 31 0.353 4.476 -0.609 251 HE1 PHE 31 2HE PHE 31 1.519 4.807 -5.355 252 HE2 PHE 31 1HE PHE 31 2.001 2.927 -1.566 253 HZ PHE 31 HZ PHE 31 2.585 3.095 -3.952 254 H SER 32 H SER 32 -0.594 6.877 0.996 255 HA SER 32 HA SER 32 2.258 7.111 1.664 256 HB2 SER 32 2HB SER 32 -0.151 7.375 3.428 257 HB3 SER 32 1HB SER 32 1.524 7.547 3.916 258 HG SER 32 HG SER 32 1.478 9.223 2.073 259 H ILE 33 H ILE 33 2.741 5.590 3.554 260 HA ILE 33 HA ILE 33 1.377 3.020 3.170 261 HB ILE 33 HB ILE 33 3.373 1.836 2.988 262 HG12 ILE 33 2HG1 ILE 33 4.913 4.266 4.001 263 HG13 ILE 33 1HG1 ILE 33 4.544 2.794 4.903 264 HG21 ILE 33 1HG2 ILE 33 3.010 3.086 0.953 265 HG22 ILE 33 2HG2 ILE 33 4.754 2.950 1.261 266 HG23 ILE 33 3HG2 ILE 33 3.917 4.453 1.599 267 HD11 ILE 33 3HD1 ILE 33 6.452 3.097 2.605 268 HD12 ILE 33 1HD1 ILE 33 5.837 1.550 3.213 269 HD13 ILE 33 2HD1 ILE 33 6.756 2.607 4.280 270 H GLY 34 H GLY 34 1.831 1.525 5.017 271 HA2 GLY 34 2HA GLY 34 2.129 3.076 7.500 272 HA3 GLY 34 1HA GLY 34 1.080 1.674 7.337 273 H GLY 35 H GLY 35 3.373 0.535 5.607 274 HA2 GLY 35 2HA GLY 35 5.717 -0.036 6.475 275 HA3 GLY 35 1HA GLY 35 4.882 -0.358 7.936 276 H GLY 36 H GLY 36 6.419 -2.200 6.701 277 HA2 GLY 36 2HA GLY 36 4.374 -4.184 5.995 278 HA3 GLY 36 1HA GLY 36 6.022 -4.219 5.381 279 H ILE 37 H ILE 37 7.335 -5.587 6.348 280 HA ILE 37 HA ILE 37 6.525 -7.076 8.648 281 HB ILE 37 HB ILE 37 8.520 -8.358 8.443 282 HG12 ILE 37 2HG1 ILE 37 10.071 -6.351 8.439 283 HG13 ILE 37 1HG1 ILE 37 10.599 -7.640 7.327 284 HG21 ILE 37 1HG2 ILE 37 7.038 -8.715 6.568 285 HG22 ILE 37 2HG2 ILE 37 8.711 -8.859 6.028 286 HG23 ILE 37 3HG2 ILE 37 7.797 -7.397 5.678 287 HD11 ILE 37 3HD1 ILE 37 9.323 -4.984 6.834 288 HD12 ILE 37 1HD1 ILE 37 9.561 -6.183 5.557 289 HD13 ILE 37 2HD1 ILE 37 10.944 -5.500 6.415 290 H ASP 38 H ASP 38 8.011 -4.224 8.237 291 HA ASP 38 HA ASP 38 9.853 -3.987 10.385 292 HB2 ASP 38 2HB ASP 38 9.760 -2.736 8.225 293 HB3 ASP 38 1HB ASP 38 8.293 -1.997 8.745 294 H GLN 39 H GLN 39 6.414 -3.953 10.023 295 HA GLN 39 HA GLN 39 5.998 -2.609 12.593 296 HB2 GLN 39 2HB GLN 39 3.755 -2.996 10.613 297 HB3 GLN 39 1HB GLN 39 4.030 -1.651 11.688 298 HG2 GLN 39 2HG GLN 39 5.447 -2.142 9.166 299 HG3 GLN 39 1HG GLN 39 4.169 -0.968 9.473 300 HE21 GLN 39 1HE2 GLN 39 6.932 -0.887 8.687 301 HE22 GLN 39 2HE2 GLN 39 7.784 0.195 9.704 302 H ASP 40 H ASP 40 4.258 -3.765 13.858 303 HA ASP 40 HA ASP 40 4.456 -6.679 13.353 304 HB2 ASP 40 2HB ASP 40 4.896 -5.454 15.751 305 HB3 ASP 40 1HB ASP 40 3.195 -5.503 15.733 306 HA PRO 41 HA PRO 41 0.313 -6.556 11.780 307 HB2 PRO 41 2HB PRO 41 -0.343 -9.194 12.246 308 HB3 PRO 41 1HB PRO 41 0.546 -8.592 10.838 309 HG2 PRO 41 2HG PRO 41 1.596 -9.812 13.363 310 HG3 PRO 41 1HG PRO 41 2.112 -10.104 11.695 311 HD2 PRO 41 2HD PRO 41 3.520 -8.524 13.316 312 HD3 PRO 41 1HD PRO 41 3.319 -8.106 11.596 313 H SER 42 H SER 42 1.093 -7.579 15.004 314 HA SER 42 HA SER 42 -1.628 -7.811 15.916 315 HB2 SER 42 2HB SER 42 0.794 -7.341 17.637 316 HB3 SER 42 1HB SER 42 -0.677 -8.236 18.037 317 HG SER 42 HG SER 42 1.525 -8.893 16.535 318 H GLN 43 H GLN 43 0.397 -5.180 15.174 319 HA GLN 43 HA GLN 43 -1.315 -3.360 16.700 320 HB2 GLN 43 2HB GLN 43 0.680 -1.874 16.962 321 HB3 GLN 43 1HB GLN 43 0.788 -3.349 17.898 322 HG2 GLN 43 2HG GLN 43 2.058 -3.872 15.494 323 HG3 GLN 43 1HG GLN 43 2.438 -2.184 15.814 324 HE21 GLN 43 1HE2 GLN 43 1.859 -4.715 18.123 325 HE22 GLN 43 2HE2 GLN 43 3.416 -4.674 18.874 326 H ASN 44 H ASN 44 -0.856 -4.408 13.843 327 HA ASN 44 HA ASN 44 -0.576 -1.825 12.508 328 HB2 ASN 44 2HB ASN 44 -0.568 -4.595 11.490 329 HB3 ASN 44 1HB ASN 44 -0.610 -3.204 10.404 330 HD21 ASN 44 1HD2 ASN 44 1.410 -5.107 10.332 331 HD22 ASN 44 2HD2 ASN 44 2.861 -4.406 10.893 332 HA PRO 45 HA PRO 45 -4.879 -1.349 11.767 333 HB2 PRO 45 2HB PRO 45 -4.724 0.169 9.498 334 HB3 PRO 45 1HB PRO 45 -4.402 0.788 11.119 335 HG2 PRO 45 2HG PRO 45 -2.464 -0.094 9.029 336 HG3 PRO 45 1HG PRO 45 -2.408 1.333 10.080 337 HD2 PRO 45 2HD PRO 45 -0.980 -0.865 10.587 338 HD3 PRO 45 1HD PRO 45 -1.685 0.130 11.880 339 H PHE 46 H PHE 46 -3.017 -1.948 8.824 340 HA PHE 46 HA PHE 46 -5.336 -3.413 7.761 341 HB2 PHE 46 2HB PHE 46 -3.097 -2.099 6.192 342 HB3 PHE 46 1HB PHE 46 -4.574 -2.799 5.543 343 HD1 PHE 46 2HD PHE 46 -6.795 -1.715 6.172 344 HD2 PHE 46 1HD PHE 46 -3.024 0.129 6.896 345 HE1 PHE 46 2HE PHE 46 -7.904 0.485 6.410 346 HE2 PHE 46 1HE PHE 46 -4.140 2.309 7.134 347 HZ PHE 46 HZ PHE 46 -6.555 2.482 6.898 348 H SER 47 H SER 47 -2.943 -4.279 9.416 349 HA SER 47 HA SER 47 -2.113 -6.465 7.602 350 HB2 SER 47 2HB SER 47 -0.333 -4.667 8.559 351 HB3 SER 47 1HB SER 47 -0.515 -5.674 9.938 352 HG SER 47 HG SER 47 -0.156 -7.497 8.291 353 H GLU 48 H GLU 48 -3.981 -5.754 10.213 354 HA GLU 48 HA GLU 48 -3.065 -7.912 11.904 355 HB2 GLU 48 2HB GLU 48 -4.910 -7.262 13.420 356 HB3 GLU 48 1HB GLU 48 -3.778 -5.962 13.067 357 HG2 GLU 48 2HG GLU 48 -5.342 -4.938 11.596 358 HG3 GLU 48 1HG GLU 48 -6.431 -6.323 11.723 359 H ASP 49 H ASP 49 -4.950 -7.721 9.302 360 HA ASP 49 HA ASP 49 -7.105 -9.465 9.800 361 HB2 ASP 49 2HB ASP 49 -6.909 -8.131 7.736 362 HB3 ASP 49 1HB ASP 49 -5.567 -9.136 7.222 363 H LYS 50 H LYS 50 -3.798 -10.068 8.967 364 HA LYS 50 HA LYS 50 -3.977 -12.872 9.764 365 HB2 LYS 50 2HB LYS 50 -2.878 -12.005 7.051 366 HB3 LYS 50 1HB LYS 50 -2.706 -13.611 7.731 367 HG2 LYS 50 2HG LYS 50 -5.332 -12.314 7.020 368 HG3 LYS 50 1HG LYS 50 -4.456 -13.456 5.996 369 HD2 LYS 50 2HD LYS 50 -4.760 -15.221 7.567 370 HD3 LYS 50 1HD LYS 50 -5.329 -14.110 8.811 371 HE2 LYS 50 2HE LYS 50 -6.753 -14.688 6.217 372 HE3 LYS 50 1HE LYS 50 -7.155 -15.408 7.776 373 HZ1 LYS 50 3HZ LYS 50 -8.616 -13.556 7.410 374 HZ2 LYS 50 1HZ LYS 50 -7.330 -12.502 7.077 375 HZ3 LYS 50 2HZ LYS 50 -7.526 -13.116 8.609 376 H THR 51 H THR 51 -1.379 -13.631 9.230 377 HA THR 51 HA THR 51 0.138 -11.653 10.697 378 HB THR 51 HB THR 51 1.816 -13.599 10.683 379 HG1 THR 51 1HG THR 51 1.081 -14.893 9.123 380 HG21 THR 51 3HG2 THR 51 0.592 -14.796 12.465 381 HG22 THR 51 1HG2 THR 51 -0.895 -13.992 11.966 382 HG23 THR 51 2HG2 THR 51 0.434 -13.047 12.640 383 H ASP 52 H ASP 52 -0.635 -12.172 7.645 384 HA ASP 52 HA ASP 52 1.895 -12.218 6.310 385 HB2 ASP 52 2HB ASP 52 -0.213 -13.184 5.357 386 HB3 ASP 52 1HB ASP 52 -0.819 -11.545 5.162 387 H LYS 53 H LYS 53 3.095 -10.571 6.743 388 HA LYS 53 HA LYS 53 2.281 -7.849 7.046 389 HB2 LYS 53 2HB LYS 53 4.956 -9.187 6.748 390 HB3 LYS 53 1HB LYS 53 4.747 -7.470 7.065 391 HG2 LYS 53 2HG LYS 53 4.118 -7.808 9.230 392 HG3 LYS 53 1HG LYS 53 3.426 -9.398 8.895 393 HD2 LYS 53 2HD LYS 53 5.498 -10.421 8.840 394 HD3 LYS 53 1HD LYS 53 6.403 -8.933 8.711 395 HE2 LYS 53 2HE LYS 53 5.801 -8.336 10.943 396 HE3 LYS 53 1HE LYS 53 4.772 -9.775 11.109 397 HZ1 LYS 53 3HZ LYS 53 6.905 -10.088 12.177 398 HZ2 LYS 53 1HZ LYS 53 7.737 -9.728 10.760 399 HZ3 LYS 53 2HZ LYS 53 6.803 -11.126 10.873 400 H GLY 54 H GLY 54 3.669 -6.198 5.769 401 HA2 GLY 54 2HA GLY 54 4.785 -6.255 3.349 402 HA3 GLY 54 1HA GLY 54 3.080 -6.623 2.981 403 H ILE 55 H ILE 55 4.631 -4.257 2.250 404 HA ILE 55 HA ILE 55 3.769 -2.108 3.862 405 HB ILE 55 HB ILE 55 4.735 -2.141 0.966 406 HG12 ILE 55 2HG1 ILE 55 6.342 -2.934 2.698 407 HG13 ILE 55 1HG1 ILE 55 6.882 -1.506 1.825 408 HG21 ILE 55 1HG2 ILE 55 3.437 -0.129 1.355 409 HG22 ILE 55 2HG2 ILE 55 5.164 0.271 1.262 410 HG23 ILE 55 3HG2 ILE 55 4.350 0.172 2.828 411 HD11 ILE 55 3HD1 ILE 55 5.610 -1.499 4.517 412 HD12 ILE 55 1HD1 ILE 55 6.284 -0.128 3.669 413 HD13 ILE 55 2HD1 ILE 55 7.356 -1.419 4.217 414 H TYR 56 H TYR 56 1.860 -1.212 3.971 415 HA TYR 56 HA TYR 56 0.007 -1.581 1.771 416 HB2 TYR 56 2HB TYR 56 -1.774 -1.394 3.735 417 HB3 TYR 56 1HB TYR 56 -1.017 -2.944 3.361 418 HD1 TYR 56 2HD TYR 56 -0.728 0.004 5.616 419 HD2 TYR 56 1HD TYR 56 0.247 -4.037 4.876 420 HE1 TYR 56 2HE TYR 56 0.292 -0.145 7.836 421 HE2 TYR 56 1HE TYR 56 1.313 -4.234 6.969 422 HH TYR 56 HH TYR 56 1.111 -1.609 9.406 423 H VAL 57 H VAL 57 -1.556 0.028 1.563 424 HA VAL 57 HA VAL 57 -0.489 2.659 1.977 425 HB VAL 57 HB VAL 57 -3.055 1.724 0.692 426 HG11 VAL 57 1HG1 VAL 57 -3.214 4.040 1.410 427 HG12 VAL 57 2HG1 VAL 57 -3.112 3.918 -0.349 428 HG13 VAL 57 3HG1 VAL 57 -1.698 4.406 0.587 429 HG21 VAL 57 3HG2 VAL 57 -0.344 2.363 -0.399 430 HG22 VAL 57 1HG2 VAL 57 -1.809 2.308 -1.380 431 HG23 VAL 57 2HG2 VAL 57 -1.278 0.862 -0.529 432 H THR 58 H THR 58 -1.053 4.056 3.556 433 HA THR 58 HA THR 58 -3.283 3.289 5.267 434 HB THR 58 HB THR 58 -2.104 5.018 6.773 435 HG1 THR 58 1HG THR 58 -0.060 5.532 6.206 436 HG21 THR 58 3HG2 THR 58 -0.769 2.383 6.078 437 HG22 THR 58 1HG2 THR 58 -2.102 2.589 7.214 438 HG23 THR 58 2HG2 THR 58 -0.523 3.290 7.566 439 H ARG 59 H ARG 59 -2.196 5.614 3.009 440 HA ARG 59 HA ARG 59 -4.683 7.122 3.153 441 HB2 ARG 59 2HB ARG 59 -1.962 8.177 3.716 442 HB3 ARG 59 1HB ARG 59 -3.113 9.173 2.858 443 HG2 ARG 59 2HG ARG 59 -4.616 9.040 4.821 444 HG3 ARG 59 1HG ARG 59 -3.461 7.966 5.616 445 HD2 ARG 59 2HD ARG 59 -2.853 10.783 4.744 446 HD3 ARG 59 1HD ARG 59 -3.329 10.322 6.380 447 HE ARG 59 HE ARG 59 -1.256 8.779 6.141 448 HH11 ARG 59 1HH1 ARG 59 -1.472 12.109 4.915 449 HH12 ARG 59 2HH1 ARG 59 0.182 12.430 5.129 450 HH21 ARG 59 1HH2 ARG 59 0.983 9.252 6.472 451 HH22 ARG 59 2HH2 ARG 59 1.603 10.788 6.057 452 H VAL 60 H VAL 60 -5.243 7.728 0.802 453 HA VAL 60 HA VAL 60 -3.011 7.474 -0.831 454 HB VAL 60 HB VAL 60 -4.593 7.467 -2.477 455 HG11 VAL 60 1HG1 VAL 60 -5.387 5.085 -2.199 456 HG12 VAL 60 2HG1 VAL 60 -4.885 5.203 -0.503 457 HG13 VAL 60 3HG1 VAL 60 -3.693 5.350 -1.802 458 HG21 VAL 60 3HG2 VAL 60 -6.933 6.859 -2.190 459 HG22 VAL 60 1HG2 VAL 60 -6.491 8.448 -1.585 460 HG23 VAL 60 2HG2 VAL 60 -6.745 7.111 -0.434 461 H SER 61 H SER 61 -3.466 8.982 -2.742 462 HA SER 61 HA SER 61 -3.568 11.647 -1.720 463 HB2 SER 61 2HB SER 61 -2.137 10.728 -3.612 464 HB3 SER 61 1HB SER 61 -3.639 10.723 -4.552 465 HG SER 61 HG SER 61 -2.620 13.050 -3.273 466 H GLU 62 H GLU 62 -5.432 12.560 -1.353 467 HA GLU 62 HA GLU 62 -7.984 11.606 -1.734 468 HB2 GLU 62 2HB GLU 62 -8.683 13.940 -1.179 469 HB3 GLU 62 1HB GLU 62 -7.508 13.190 -0.096 470 HG2 GLU 62 2HG GLU 62 -5.710 14.416 -1.081 471 HG3 GLU 62 1HG GLU 62 -6.784 15.068 -2.313 472 H GLY 63 H GLY 63 -6.124 13.194 -4.066 473 HA2 GLY 63 2HA GLY 63 -8.224 12.872 -6.021 474 HA3 GLY 63 1HA GLY 63 -7.743 14.547 -5.742 475 H GLY 64 H GLY 64 -5.647 11.799 -5.467 476 HA2 GLY 64 2HA GLY 64 -4.003 13.040 -7.561 477 HA3 GLY 64 1HA GLY 64 -3.381 12.209 -6.142 478 HA PRO 65 HA PRO 65 -3.385 9.589 -9.994 479 HB2 PRO 65 2HB PRO 65 -0.943 8.473 -9.551 480 HB3 PRO 65 1HB PRO 65 -1.130 10.000 -10.398 481 HG2 PRO 65 2HG PRO 65 -0.412 9.499 -7.553 482 HG3 PRO 65 1HG PRO 65 0.241 10.702 -8.673 483 HD2 PRO 65 2HD PRO 65 -1.587 11.264 -6.768 484 HD3 PRO 65 1HD PRO 65 -1.544 12.160 -8.312 485 H ALA 66 H ALA 66 -2.592 8.929 -6.764 486 HA ALA 66 HA ALA 66 -2.602 6.160 -6.692 487 HB1 ALA 66 1HB ALA 66 -3.057 6.330 -4.308 488 HB2 ALA 66 2HB ALA 66 -3.554 8.010 -4.512 489 HB3 ALA 66 3HB ALA 66 -1.878 7.547 -4.800 490 H GLU 67 H GLU 67 -5.346 8.214 -5.633 491 HA GLU 67 HA GLU 67 -7.009 5.924 -5.897 492 HB2 GLU 67 2HB GLU 67 -8.920 7.310 -5.290 493 HB3 GLU 67 1HB GLU 67 -7.586 7.452 -4.163 494 HG2 GLU 67 2HG GLU 67 -7.072 9.604 -4.878 495 HG3 GLU 67 1HG GLU 67 -8.052 9.484 -6.328 496 H ILE 68 H ILE 68 -6.191 8.517 -8.013 497 HA ILE 68 HA ILE 68 -8.318 8.310 -9.839 498 HB ILE 68 HB ILE 68 -5.438 9.143 -10.148 499 HG12 ILE 68 2HG1 ILE 68 -6.822 10.721 -8.944 500 HG13 ILE 68 1HG1 ILE 68 -6.379 11.387 -10.508 501 HG21 ILE 68 1HG2 ILE 68 -5.875 9.973 -12.406 502 HG22 ILE 68 2HG2 ILE 68 -7.462 9.199 -12.377 503 HG23 ILE 68 3HG2 ILE 68 -5.993 8.218 -12.291 504 HD11 ILE 68 3HD1 ILE 68 -8.673 11.910 -9.977 505 HD12 ILE 68 1HD1 ILE 68 -9.051 10.201 -9.780 506 HD13 ILE 68 2HD1 ILE 68 -8.603 10.825 -11.364 507 H ALA 69 H ALA 69 -5.306 6.529 -9.511 508 HA ALA 69 HA ALA 69 -5.818 4.884 -11.790 509 HB1 ALA 69 1HB ALA 69 -3.869 3.612 -11.032 510 HB2 ALA 69 2HB ALA 69 -3.869 4.528 -9.523 511 HB3 ALA 69 3HB ALA 69 -3.538 5.341 -11.049 512 H GLY 70 H GLY 70 -6.013 4.453 -8.284 513 HA2 GLY 70 2HA GLY 70 -8.331 3.288 -7.967 514 HA3 GLY 70 1HA GLY 70 -7.481 1.946 -8.727 515 H LEU 71 H LEU 71 -5.328 3.669 -6.865 516 HA LEU 71 HA LEU 71 -5.254 1.588 -4.935 517 HB2 LEU 71 2HB LEU 71 -3.241 2.608 -5.878 518 HB3 LEU 71 1HB LEU 71 -3.680 4.147 -5.180 519 HG LEU 71 HG LEU 71 -2.961 3.508 -3.041 520 HD11 LEU 71 1HD1 LEU 71 -3.147 0.659 -4.164 521 HD12 LEU 71 2HD1 LEU 71 -4.230 1.321 -2.939 522 HD13 LEU 71 3HD1 LEU 71 -2.539 1.014 -2.559 523 HD21 LEU 71 3HD2 LEU 71 -0.811 2.474 -3.392 524 HD22 LEU 71 1HD2 LEU 71 -1.163 3.661 -4.643 525 HD23 LEU 71 2HD2 LEU 71 -1.308 1.937 -4.994 526 H GLN 72 H GLN 72 -6.117 1.456 -3.030 527 HA GLN 72 HA GLN 72 -7.368 3.846 -1.927 528 HB2 GLN 72 2HB GLN 72 -8.247 0.962 -1.790 529 HB3 GLN 72 1HB GLN 72 -9.044 2.320 -1.007 530 HG2 GLN 72 2HG GLN 72 -8.716 1.999 -3.974 531 HG3 GLN 72 1HG GLN 72 -10.162 1.562 -3.072 532 HE21 GLN 72 1HE2 GLN 72 -8.113 4.162 -4.058 533 HE22 GLN 72 2HE2 GLN 72 -9.264 5.416 -3.904 534 H ILE 73 H ILE 73 -7.482 3.808 0.272 535 HA ILE 73 HA ILE 73 -5.241 3.002 1.773 536 HB ILE 73 HB ILE 73 -8.023 3.645 2.815 537 HG12 ILE 73 2HG1 ILE 73 -5.601 5.398 2.401 538 HG13 ILE 73 1HG1 ILE 73 -7.115 5.496 1.511 539 HG21 ILE 73 1HG2 ILE 73 -6.936 4.148 4.918 540 HG22 ILE 73 2HG2 ILE 73 -5.393 3.619 4.251 541 HG23 ILE 73 3HG2 ILE 73 -6.712 2.461 4.452 542 HD11 ILE 73 3HD1 ILE 73 -8.278 6.160 3.540 543 HD12 ILE 73 1HD1 ILE 73 -6.928 7.251 3.218 544 HD13 ILE 73 2HD1 ILE 73 -6.782 6.001 4.457 545 H GLY 74 H GLY 74 -4.729 1.089 2.674 546 HA2 GLY 74 2HA GLY 74 -5.289 -0.833 3.939 547 HA3 GLY 74 1HA GLY 74 -6.882 -0.836 3.203 548 H ASP 75 H ASP 75 -5.115 -0.208 0.643 549 HA ASP 75 HA ASP 75 -4.980 -2.975 -0.139 550 HB2 ASP 75 2HB ASP 75 -4.141 -0.476 -1.607 551 HB3 ASP 75 1HB ASP 75 -4.091 -2.097 -2.284 552 H LYS 76 H LYS 76 -3.465 -4.221 0.263 553 HA LYS 76 HA LYS 76 -0.917 -3.186 1.169 554 HB2 LYS 76 2HB LYS 76 -2.030 -4.982 2.456 555 HB3 LYS 76 1HB LYS 76 -1.977 -6.014 1.035 556 HG2 LYS 76 2HG LYS 76 0.438 -6.107 1.142 557 HG3 LYS 76 1HG LYS 76 0.450 -4.956 2.471 558 HD2 LYS 76 2HD LYS 76 0.751 -7.312 3.214 559 HD3 LYS 76 1HD LYS 76 -0.650 -6.528 3.932 560 HE2 LYS 76 2HE LYS 76 -2.121 -7.663 2.351 561 HE3 LYS 76 1HE LYS 76 -0.728 -8.382 1.546 562 HZ1 LYS 76 3HZ LYS 76 -1.947 -9.822 3.177 563 HZ2 LYS 76 1HZ LYS 76 -1.314 -8.864 4.413 564 HZ3 LYS 76 2HZ LYS 76 -0.296 -9.743 3.382 565 H ILE 77 H ILE 77 0.838 -3.103 -0.085 566 HA ILE 77 HA ILE 77 0.437 -3.875 -2.843 567 HB ILE 77 HB ILE 77 2.858 -2.399 -1.791 568 HG12 ILE 77 2HG1 ILE 77 1.630 -0.320 -2.850 569 HG13 ILE 77 1HG1 ILE 77 0.168 -1.219 -2.492 570 HG21 ILE 77 1HG2 ILE 77 2.956 -1.581 -4.094 571 HG22 ILE 77 2HG2 ILE 77 1.553 -2.583 -4.486 572 HG23 ILE 77 3HG2 ILE 77 3.064 -3.337 -3.966 573 HD11 ILE 77 3HD1 ILE 77 0.735 -1.240 -0.146 574 HD12 ILE 77 1HD1 ILE 77 0.706 0.406 -0.772 575 HD13 ILE 77 2HD1 ILE 77 2.246 -0.401 -0.489 576 H MET 78 H MET 78 1.607 -5.373 -3.862 577 HA MET 78 HA MET 78 3.366 -7.058 -2.204 578 HB2 MET 78 2HB MET 78 1.970 -7.744 -4.791 579 HB3 MET 78 1HB MET 78 2.850 -8.840 -3.751 580 HG2 MET 78 2HG MET 78 0.348 -7.439 -2.852 581 HG3 MET 78 1HG MET 78 0.303 -8.941 -3.758 582 HE1 MET 78 3HE MET 78 2.690 -7.834 -0.591 583 HE2 MET 78 1HE MET 78 1.627 -8.463 0.652 584 HE3 MET 78 2HE MET 78 1.077 -7.155 -0.416 585 H GLN 79 H GLN 79 3.184 -5.040 -4.964 586 HA GLN 79 HA GLN 79 5.918 -5.639 -5.727 587 HB2 GLN 79 2HB GLN 79 4.206 -7.289 -6.784 588 HB3 GLN 79 1HB GLN 79 3.677 -5.903 -7.709 589 HG2 GLN 79 2HG GLN 79 6.477 -6.917 -7.770 590 HG3 GLN 79 1HG GLN 79 5.241 -7.515 -8.870 591 HE21 GLN 79 1HE2 GLN 79 7.367 -5.058 -8.070 592 HE22 GLN 79 2HE2 GLN 79 7.091 -4.069 -9.454 593 H VAL 80 H VAL 80 6.801 -3.723 -6.543 594 HA VAL 80 HA VAL 80 5.040 -1.508 -7.390 595 HB VAL 80 HB VAL 80 7.213 -1.367 -5.271 596 HG11 VAL 80 1HG1 VAL 80 7.556 0.515 -6.778 597 HG12 VAL 80 2HG1 VAL 80 6.917 1.073 -5.232 598 HG13 VAL 80 3HG1 VAL 80 5.858 0.964 -6.637 599 HG21 VAL 80 3HG2 VAL 80 5.129 -1.935 -4.363 600 HG22 VAL 80 1HG2 VAL 80 4.311 -0.665 -5.265 601 HG23 VAL 80 2HG2 VAL 80 5.440 -0.241 -3.983 602 H ASN 81 H ASN 81 5.709 -1.092 -9.414 603 HA ASN 81 HA ASN 81 6.992 -0.551 -11.177 604 HB2 ASN 81 2HB ASN 81 7.509 1.235 -9.327 605 HB3 ASN 81 1HB ASN 81 9.102 0.501 -9.326 606 HD21 ASN 81 1HD2 ASN 81 7.147 0.802 -12.270 607 HD22 ASN 81 2HD2 ASN 81 8.056 2.067 -12.963 608 H GLY 82 H GLY 82 7.297 -3.047 -10.853 609 HA2 GLY 82 2HA GLY 82 8.539 -4.929 -11.202 610 HA3 GLY 82 1HA GLY 82 9.834 -3.850 -11.780 611 H TRP 83 H TRP 83 9.081 -3.251 -8.578 612 HA TRP 83 HA TRP 83 11.124 -5.143 -7.666 613 HB2 TRP 83 2HB TRP 83 12.254 -3.410 -6.745 614 HB3 TRP 83 1HB TRP 83 11.100 -2.340 -7.511 615 HD1 TRP 83 HD TRP 83 8.961 -1.645 -5.885 616 HE1 TRP 83 1HE TRP 83 9.003 -1.104 -3.327 617 HE3 TRP 83 3HE TRP 83 13.332 -3.898 -4.665 618 HZ2 TRP 83 2HZ TRP 83 10.686 -1.540 -1.182 619 HZ3 TRP 83 3HZ TRP 83 14.121 -3.790 -2.344 620 HH2 TRP 83 HH TRP 83 12.838 -2.640 -0.637 621 H ASP 84 H ASP 84 10.892 -5.874 -5.329 622 HA ASP 84 HA ASP 84 8.200 -6.899 -4.982 623 HB2 ASP 84 2HB ASP 84 10.275 -8.297 -4.845 624 HB3 ASP 84 1HB ASP 84 10.697 -7.309 -3.440 625 H MET 85 H MET 85 6.815 -6.045 -3.552 626 HA MET 85 HA MET 85 7.943 -4.463 -1.365 627 HB2 MET 85 2HB MET 85 6.724 -2.991 -2.920 628 HB3 MET 85 1HB MET 85 5.323 -4.027 -2.812 629 HG2 MET 85 2HG MET 85 4.708 -3.293 -0.758 630 HG3 MET 85 1HG MET 85 6.352 -2.886 -0.288 631 HE1 MET 85 3HE MET 85 7.375 -0.983 -2.609 632 HE2 MET 85 1HE MET 85 7.572 -0.770 -0.866 633 HE3 MET 85 2HE MET 85 6.943 0.546 -1.845 634 H THR 86 H THR 86 6.537 -7.270 -2.081 635 HA THR 86 HA THR 86 4.644 -7.464 0.018 636 HB THR 86 HB THR 86 4.386 -8.943 -1.892 637 HG1 THR 86 1HG THR 86 4.273 -9.840 0.580 638 HG21 THR 86 3HG2 THR 86 5.913 -10.779 -2.380 639 HG22 THR 86 1HG2 THR 86 6.981 -10.233 -1.087 640 HG23 THR 86 2HG2 THR 86 6.733 -9.217 -2.494 641 H MET 87 H MET 87 8.074 -7.860 -0.101 642 HA MET 87 HA MET 87 7.987 -8.167 2.814 643 HB2 MET 87 2HB MET 87 8.552 -10.377 1.926 644 HB3 MET 87 1HB MET 87 9.856 -9.694 0.972 645 HG2 MET 87 2HG MET 87 10.994 -9.043 3.077 646 HG3 MET 87 1HG MET 87 9.708 -9.844 3.980 647 HE1 MET 87 3HE MET 87 11.594 -11.230 5.246 648 HE2 MET 87 1HE MET 87 12.871 -10.492 4.279 649 HE3 MET 87 2HE MET 87 12.785 -12.250 4.439 650 H VAL 88 H VAL 88 8.347 -5.863 2.964 651 HA VAL 88 HA VAL 88 11.138 -5.156 2.855 652 HB VAL 88 HB VAL 88 10.394 -4.601 0.546 653 HG11 VAL 88 1HG1 VAL 88 8.788 -2.769 0.190 654 HG12 VAL 88 2HG1 VAL 88 8.433 -2.787 1.918 655 HG13 VAL 88 3HG1 VAL 88 8.042 -4.186 0.933 656 HG21 VAL 88 3HG2 VAL 88 12.150 -3.276 1.519 657 HG22 VAL 88 1HG2 VAL 88 10.967 -2.245 2.329 658 HG23 VAL 88 2HG2 VAL 88 11.095 -2.223 0.577 659 H THR 89 H THR 89 11.638 -3.420 4.139 660 HA THR 89 HA THR 89 9.845 -3.007 6.272 661 HB THR 89 HB THR 89 11.655 -1.288 6.929 662 HG1 THR 89 1HG THR 89 13.259 -2.710 5.126 663 HG21 THR 89 3HG2 THR 89 11.430 -3.510 7.910 664 HG22 THR 89 1HG2 THR 89 13.125 -3.036 7.766 665 HG23 THR 89 2HG2 THR 89 12.437 -4.185 6.618 666 H HIS 90 H HIS 90 9.099 -1.022 6.956 667 HA HIS 90 HA HIS 90 7.780 0.642 5.130 668 HB2 HIS 90 2HB HIS 90 7.265 0.504 7.538 669 HB3 HIS 90 1HB HIS 90 8.764 1.287 7.921 670 HD1 HIS 90 1HD HIS 90 5.260 2.019 7.610 671 HD2 HIS 90 2HD HIS 90 8.745 4.065 6.684 672 HE1 HIS 90 1HE HIS 90 4.570 4.328 7.187 673 H ASP 91 H ASP 91 10.806 0.982 6.820 674 HA ASP 91 HA ASP 91 11.539 3.541 6.049 675 HB2 ASP 91 2HB ASP 91 12.511 2.203 7.885 676 HB3 ASP 91 1HB ASP 91 13.252 1.189 6.672 677 H GLN 92 H GLN 92 12.367 0.410 4.679 678 HA GLN 92 HA GLN 92 13.937 1.549 2.588 679 HB2 GLN 92 2HB GLN 92 13.231 -1.167 3.415 680 HB3 GLN 92 1HB GLN 92 13.371 -0.988 1.682 681 HG2 GLN 92 2HG GLN 92 15.502 -1.672 2.651 682 HG3 GLN 92 1HG GLN 92 15.628 -0.076 1.923 683 HE21 GLN 92 1HE2 GLN 92 14.249 -0.823 5.099 684 HE22 GLN 92 2HE2 GLN 92 15.453 0.033 5.984 685 H ALA 93 H ALA 93 10.629 0.370 2.765 686 HA ALA 93 HA ALA 93 10.051 0.553 0.032 687 HB1 ALA 93 1HB ALA 93 8.645 -0.605 1.641 688 HB2 ALA 93 2HB ALA 93 7.701 0.577 0.732 689 HB3 ALA 93 3HB ALA 93 8.189 0.918 2.385 690 H ARG 94 H ARG 94 9.857 2.868 2.655 691 HA ARG 94 HA ARG 94 8.563 4.908 1.348 692 HB2 ARG 94 2HB ARG 94 10.482 4.845 3.619 693 HB3 ARG 94 1HB ARG 94 9.966 6.418 3.008 694 HG2 ARG 94 2HG ARG 94 8.152 4.238 3.987 695 HG3 ARG 94 1HG ARG 94 8.737 5.571 4.980 696 HD2 ARG 94 2HD ARG 94 7.240 5.882 2.422 697 HD3 ARG 94 1HD ARG 94 6.456 5.927 4.017 698 HE ARG 94 HE ARG 94 8.631 7.748 3.813 699 HH11 ARG 94 1HH1 ARG 94 5.152 7.440 3.239 700 HH12 ARG 94 2HH1 ARG 94 4.943 9.094 2.864 701 HH21 ARG 94 1HH2 ARG 94 8.273 10.060 3.354 702 HH22 ARG 94 2HH2 ARG 94 6.700 10.576 2.993 703 H LYS 95 H LYS 95 11.782 3.833 0.974 704 HA LYS 95 HA LYS 95 12.698 6.360 -0.201 705 HB2 LYS 95 2HB LYS 95 14.299 3.828 0.169 706 HB3 LYS 95 1HB LYS 95 14.904 5.445 -0.121 707 HG2 LYS 95 2HG LYS 95 13.595 4.472 2.414 708 HG3 LYS 95 1HG LYS 95 15.319 4.675 2.153 709 HD2 LYS 95 2HD LYS 95 14.951 7.097 1.823 710 HD3 LYS 95 1HD LYS 95 13.232 6.853 2.157 711 HE2 LYS 95 2HE LYS 95 15.480 6.174 4.062 712 HE3 LYS 95 1HE LYS 95 14.507 7.639 4.136 713 HZ1 LYS 95 3HZ LYS 95 13.282 4.940 4.274 714 HZ2 LYS 95 1HZ LYS 95 12.598 6.388 4.756 715 HZ3 LYS 95 2HZ LYS 95 13.832 5.661 5.656 716 H ARG 96 H ARG 96 10.830 4.006 -1.257 717 HA ARG 96 HA ARG 96 12.187 4.103 -3.747 718 HB2 ARG 96 2HB ARG 96 12.881 1.952 -2.616 719 HB3 ARG 96 1HB ARG 96 11.228 1.407 -2.830 720 HG2 ARG 96 2HG ARG 96 11.390 1.398 -5.178 721 HG3 ARG 96 1HG ARG 96 12.866 2.354 -5.167 722 HD2 ARG 96 2HD ARG 96 12.556 -0.486 -4.221 723 HD3 ARG 96 1HD ARG 96 13.362 0.047 -5.695 724 HE ARG 96 HE ARG 96 14.507 1.319 -3.466 725 HH11 ARG 96 1HH1 ARG 96 14.615 -1.699 -5.270 726 HH12 ARG 96 2HH1 ARG 96 15.989 -2.304 -4.467 727 HH21 ARG 96 1HH2 ARG 96 16.385 0.492 -2.343 728 HH22 ARG 96 2HH2 ARG 96 16.988 -1.048 -2.708 729 H LEU 97 H LEU 97 9.096 3.492 -2.072 730 HA LEU 97 HA LEU 97 7.970 3.757 -4.704 731 HB2 LEU 97 2HB LEU 97 5.984 2.934 -3.908 732 HB3 LEU 97 1HB LEU 97 7.137 2.244 -2.791 733 HG LEU 97 HG LEU 97 5.417 4.636 -2.177 734 HD11 LEU 97 1HD1 LEU 97 5.141 1.753 -1.398 735 HD12 LEU 97 2HD1 LEU 97 4.131 2.613 -2.565 736 HD13 LEU 97 3HD1 LEU 97 4.118 3.087 -0.861 737 HD21 LEU 97 3HD2 LEU 97 6.022 4.231 0.124 738 HD22 LEU 97 1HD2 LEU 97 7.482 4.479 -0.828 739 HD23 LEU 97 2HD2 LEU 97 7.018 2.850 -0.343 740 H THR 98 H THR 98 8.318 5.730 -1.832 741 HA THR 98 HA THR 98 6.753 7.832 -3.185 742 HB THR 98 HB THR 98 5.876 7.232 -0.944 743 HG1 THR 98 1HG THR 98 7.089 9.769 -1.167 744 HG21 THR 98 3HG2 THR 98 7.170 7.736 1.064 745 HG22 THR 98 1HG2 THR 98 8.567 8.104 0.057 746 HG23 THR 98 2HG2 THR 98 7.921 6.472 0.081 747 H LYS 99 H LYS 99 9.645 6.838 -3.243 748 HA LYS 99 HA LYS 99 11.309 9.082 -2.842 749 HB2 LYS 99 2HB LYS 99 12.772 7.977 -4.472 750 HB3 LYS 99 1HB LYS 99 12.181 6.845 -3.261 751 HG2 LYS 99 2HG LYS 99 10.977 5.689 -4.693 752 HG3 LYS 99 1HG LYS 99 10.546 7.084 -5.693 753 HD2 LYS 99 2HD LYS 99 11.959 5.670 -7.005 754 HD3 LYS 99 1HD LYS 99 12.890 7.088 -6.535 755 HE2 LYS 99 2HE LYS 99 13.819 5.708 -4.645 756 HE3 LYS 99 1HE LYS 99 12.982 4.350 -5.382 757 HZ1 LYS 99 3HZ LYS 99 15.203 4.304 -6.194 758 HZ2 LYS 99 1HZ LYS 99 15.121 5.913 -6.707 759 HZ3 LYS 99 2HZ LYS 99 14.165 4.745 -7.447 760 H ARG 100 H ARG 100 12.451 9.860 -5.123 761 HA ARG 100 HA ARG 100 10.224 10.973 -6.712 762 HB2 ARG 100 2HB ARG 100 11.590 13.034 -6.938 763 HB3 ARG 100 1HB ARG 100 11.082 12.695 -5.286 764 HG2 ARG 100 2HG ARG 100 13.211 11.905 -4.692 765 HG3 ARG 100 1HG ARG 100 13.782 11.911 -6.350 766 HD2 ARG 100 2HD ARG 100 13.433 14.420 -6.306 767 HD3 ARG 100 1HD ARG 100 13.099 14.255 -4.579 768 HE ARG 100 HE ARG 100 15.540 13.032 -5.321 769 HH11 ARG 100 1HH1 ARG 100 14.106 16.158 -4.429 770 HH12 ARG 100 2HH1 ARG 100 15.576 16.862 -3.980 771 HH21 ARG 100 1HH2 ARG 100 17.590 14.032 -4.731 772 HH22 ARG 100 2HH2 ARG 100 17.623 15.629 -4.175 773 H SER 101 H SER 101 12.892 9.028 -6.926 774 HA SER 101 HA SER 101 14.183 9.950 -9.249 775 HB2 SER 101 2HB SER 101 15.186 8.353 -7.633 776 HB3 SER 101 1HB SER 101 14.046 7.139 -8.173 777 HG SER 101 HG SER 101 15.045 6.870 -9.968 778 H GLU 102 H GLU 102 11.536 7.731 -8.760 779 HA GLU 102 HA GLU 102 11.393 7.304 -11.634 780 HB2 GLU 102 2HB GLU 102 10.356 5.726 -9.292 781 HB3 GLU 102 1HB GLU 102 9.690 5.481 -10.898 782 HG2 GLU 102 2HG GLU 102 11.392 3.805 -10.360 783 HG3 GLU 102 1HG GLU 102 11.868 4.795 -11.731 784 H GLU 103 H GLU 103 8.918 6.935 -12.311 785 HA GLU 103 HA GLU 103 7.349 9.014 -11.035 786 HB2 GLU 103 2HB GLU 103 6.601 9.792 -13.335 787 HB3 GLU 103 1HB GLU 103 8.190 10.313 -12.778 788 HG2 GLU 103 2HG GLU 103 9.181 8.663 -14.259 789 HG3 GLU 103 1HG GLU 103 7.576 8.128 -14.755 790 H VAL 104 H VAL 104 7.044 6.758 -13.730 791 HA VAL 104 HA VAL 104 4.308 6.287 -12.840 792 HB VAL 104 HB VAL 104 5.589 5.047 -15.262 793 HG11 VAL 104 1HG1 VAL 104 3.716 3.840 -14.649 794 HG12 VAL 104 2HG1 VAL 104 3.132 4.912 -15.944 795 HG13 VAL 104 3HG1 VAL 104 2.844 5.287 -14.232 796 HG21 VAL 104 3HG2 VAL 104 5.706 7.431 -15.481 797 HG22 VAL 104 1HG2 VAL 104 3.979 7.585 -15.126 798 HG23 VAL 104 2HG2 VAL 104 4.519 6.755 -16.603 799 H VAL 105 H VAL 105 4.031 4.838 -11.473 800 HA VAL 105 HA VAL 105 5.872 2.578 -11.442 801 HB VAL 105 HB VAL 105 5.252 2.305 -9.049 802 HG11 VAL 105 1HG1 VAL 105 7.328 3.462 -9.687 803 HG12 VAL 105 2HG1 VAL 105 6.631 4.198 -8.243 804 HG13 VAL 105 3HG1 VAL 105 6.445 4.983 -9.808 805 HG21 VAL 105 3HG2 VAL 105 4.224 4.211 -7.900 806 HG22 VAL 105 1HG2 VAL 105 3.122 3.474 -9.064 807 HG23 VAL 105 2HG2 VAL 105 3.941 4.987 -9.459 808 H ARG 106 H ARG 106 5.139 0.628 -11.665 809 HA ARG 106 HA ARG 106 2.266 0.215 -11.950 810 HB2 ARG 106 2HB ARG 106 4.633 -1.475 -12.792 811 HB3 ARG 106 1HB ARG 106 2.949 -1.895 -13.071 812 HG2 ARG 106 2HG ARG 106 2.658 -0.012 -14.537 813 HG3 ARG 106 1HG ARG 106 4.265 0.579 -14.148 814 HD2 ARG 106 2HD ARG 106 4.158 -0.573 -16.342 815 HD3 ARG 106 1HD ARG 106 5.294 -1.318 -15.226 816 HE ARG 106 HE ARG 106 2.651 -2.450 -15.246 817 HH11 ARG 106 1HH1 ARG 106 5.891 -2.591 -16.673 818 HH12 ARG 106 2HH1 ARG 106 5.784 -4.224 -17.110 819 HH21 ARG 106 1HH2 ARG 106 2.521 -4.705 -15.817 820 HH22 ARG 106 2HH2 ARG 106 3.822 -5.474 -16.612 821 H LEU 107 H LEU 107 1.418 -0.374 -10.130 822 HA LEU 107 HA LEU 107 3.027 -1.840 -8.155 823 HB2 LEU 107 2HB LEU 107 0.444 -0.455 -7.715 824 HB3 LEU 107 1HB LEU 107 1.657 -0.872 -6.523 825 HG LEU 107 HG LEU 107 1.821 1.334 -8.573 826 HD11 LEU 107 1HD1 LEU 107 1.724 2.791 -6.638 827 HD12 LEU 107 2HD1 LEU 107 1.532 1.387 -5.588 828 HD13 LEU 107 3HD1 LEU 107 0.282 1.785 -6.772 829 HD21 LEU 107 3HD2 LEU 107 3.712 0.698 -6.352 830 HD22 LEU 107 1HD2 LEU 107 3.861 1.978 -7.533 831 HD23 LEU 107 2HD2 LEU 107 4.020 0.293 -8.050 832 H LEU 108 H LEU 108 2.085 -3.609 -7.231 833 HA LEU 108 HA LEU 108 -0.543 -4.402 -8.234 834 HB2 LEU 108 2HB LEU 108 1.917 -5.838 -8.198 835 HB3 LEU 108 1HB LEU 108 0.706 -6.744 -7.317 836 HG LEU 108 HG LEU 108 -0.723 -6.297 -9.417 837 HD11 LEU 108 1HD1 LEU 108 2.035 -5.841 -10.550 838 HD12 LEU 108 2HD1 LEU 108 0.724 -4.665 -10.468 839 HD13 LEU 108 3HD1 LEU 108 0.570 -6.084 -11.504 840 HD21 LEU 108 3HD2 LEU 108 1.619 -8.189 -9.463 841 HD22 LEU 108 1HD2 LEU 108 0.208 -8.298 -10.513 842 HD23 LEU 108 2HD2 LEU 108 0.025 -8.492 -8.771 843 H VAL 109 H VAL 109 -1.989 -4.449 -6.799 844 HA VAL 109 HA VAL 109 -1.156 -4.695 -3.997 845 HB VAL 109 HB VAL 109 -2.936 -3.261 -3.265 846 HG11 VAL 109 1HG1 VAL 109 -0.793 -2.283 -3.752 847 HG12 VAL 109 2HG1 VAL 109 -2.121 -1.144 -3.931 848 HG13 VAL 109 3HG1 VAL 109 -1.348 -1.836 -5.370 849 HG21 VAL 109 3HG2 VAL 109 -3.572 -2.725 -6.144 850 HG22 VAL 109 1HG2 VAL 109 -4.320 -1.948 -4.755 851 HG23 VAL 109 2HG2 VAL 109 -4.575 -3.671 -5.045 852 H THR 110 H THR 110 -2.865 -5.338 -2.570 853 HA THR 110 HA THR 110 -4.594 -7.271 -3.874 854 HB THR 110 HB THR 110 -4.465 -8.508 -1.693 855 HG1 THR 110 1HG THR 110 -2.255 -6.711 -1.302 856 HG21 THR 110 3HG2 THR 110 -1.883 -8.185 -3.205 857 HG22 THR 110 1HG2 THR 110 -3.263 -9.167 -3.695 858 HG23 THR 110 2HG2 THR 110 -2.368 -9.582 -2.227 859 H ARG 111 H ARG 111 -6.633 -6.941 -3.586 860 HA ARG 111 HA ARG 111 -7.690 -4.871 -1.858 861 HB2 ARG 111 2HB ARG 111 -9.094 -6.902 -3.608 862 HB3 ARG 111 1HB ARG 111 -9.880 -5.579 -2.792 863 HG2 ARG 111 2HG ARG 111 -7.857 -5.305 -5.008 864 HG3 ARG 111 1HG ARG 111 -9.602 -5.185 -5.194 865 HD2 ARG 111 2HD ARG 111 -9.466 -3.276 -3.483 866 HD3 ARG 111 1HD ARG 111 -7.726 -3.297 -3.793 867 HE ARG 111 HE ARG 111 -9.255 -3.244 -6.179 868 HH11 ARG 111 1HH1 ARG 111 -7.706 -1.085 -3.770 869 HH12 ARG 111 2HH1 ARG 111 -7.951 0.271 -4.737 870 HH21 ARG 111 1HH2 ARG 111 -9.587 -1.287 -7.389 871 HH22 ARG 111 2HH2 ARG 111 -9.046 0.204 -6.752 872 H GLN 112 H GLN 112 -8.403 -5.340 0.126 873 HA GLN 112 HA GLN 112 -8.221 -8.128 0.893 874 HB2 GLN 112 2HB GLN 112 -8.346 -5.651 2.602 875 HB3 GLN 112 1HB GLN 112 -8.120 -7.291 3.203 876 HG2 GLN 112 2HG GLN 112 -6.304 -5.898 1.275 877 HG3 GLN 112 1HG GLN 112 -5.960 -6.039 3.021 878 HE21 GLN 112 1HE2 GLN 112 -5.860 -7.417 -0.068 879 HE22 GLN 112 2HE2 GLN 112 -5.118 -8.920 0.309 880 H SER 113 H SER 113 -10.545 -5.874 0.176 881 HA SER 113 HA SER 113 -12.797 -5.920 0.045 882 HB2 SER 113 2HB SER 113 -12.326 -8.171 -0.954 883 HB3 SER 113 1HB SER 113 -12.518 -8.894 0.638 884 HG SER 113 HG SER 113 -14.642 -8.222 0.650 885 H LEU 114 H LEU 114 -11.487 -5.484 2.630 886 HA LEU 114 HA LEU 114 -11.856 -5.074 4.790 887 HB2 LEU 114 2HB LEU 114 -14.642 -5.332 3.847 888 HB3 LEU 114 1HB LEU 114 -14.274 -4.768 5.487 889 HG LEU 114 HG LEU 114 -13.612 -3.422 2.850 890 HD11 LEU 114 1HD1 LEU 114 -15.943 -3.210 3.476 891 HD12 LEU 114 2HD1 LEU 114 -15.112 -1.662 3.631 892 HD13 LEU 114 3HD1 LEU 114 -15.479 -2.611 5.071 893 HD21 LEU 114 3HD2 LEU 114 -12.958 -2.542 5.664 894 HD22 LEU 114 1HD2 LEU 114 -12.755 -1.558 4.214 895 HD23 LEU 114 2HD2 LEU 114 -11.802 -3.021 4.419 896 H GLN 115 H GLN 115 -14.009 -7.709 3.864 897 HA GLN 115 HA GLN 115 -13.188 -9.180 6.270 898 HB2 GLN 115 2HB GLN 115 -15.800 -9.348 4.735 899 HB3 GLN 115 1HB GLN 115 -15.371 -10.322 6.128 900 HG2 GLN 115 2HG GLN 115 -15.353 -8.341 7.533 901 HG3 GLN 115 1HG GLN 115 -15.725 -7.331 6.140 902 HE21 GLN 115 1HE2 GLN 115 -17.173 -7.729 8.616 903 HE22 GLN 115 2HE2 GLN 115 -18.757 -8.273 8.169 904 H LYS 116 H LYS 116 -12.397 -11.205 5.843 905 HA LYS 116 HA LYS 116 -11.904 -11.801 3.050 906 HB2 LYS 116 2HB LYS 116 -10.904 -13.145 5.561 907 HB3 LYS 116 1HB LYS 116 -10.447 -13.624 3.936 908 HG2 LYS 116 2HG LYS 116 -9.925 -10.921 5.153 909 HG3 LYS 116 1HG LYS 116 -8.748 -12.228 5.039 910 HD2 LYS 116 2HD LYS 116 -8.883 -12.162 2.611 911 HD3 LYS 116 1HD LYS 116 -10.129 -10.920 2.692 912 HE2 LYS 116 2HE LYS 116 -7.981 -9.928 2.185 913 HE3 LYS 116 1HE LYS 116 -8.550 -9.403 3.765 914 HZ1 LYS 116 3HZ LYS 116 -6.186 -9.960 3.680 915 HZ2 LYS 116 1HZ LYS 116 -6.572 -11.563 3.327 916 HZ3 LYS 116 2HZ LYS 116 -7.019 -10.895 4.821 917 H ALA 117 H ALA 117 -14.292 -12.460 5.122 918 HA ALA 117 HA ALA 117 -14.963 -14.903 3.659 919 HB1 ALA 117 1HB ALA 117 -14.341 -15.496 5.932 920 HB2 ALA 117 2HB ALA 117 -16.036 -15.810 5.539 921 HB3 ALA 117 3HB ALA 117 -15.611 -14.418 6.545 922 H VAL 118 H VAL 118 -16.865 -15.068 2.905 923 HA VAL 118 HA VAL 118 -19.116 -13.463 3.666 924 HB VAL 118 HB VAL 118 -19.560 -12.796 1.236 925 HG11 VAL 118 1HG1 VAL 118 -17.191 -11.466 2.563 926 HG12 VAL 118 2HG1 VAL 118 -18.891 -11.087 2.838 927 HG13 VAL 118 3HG1 VAL 118 -18.156 -10.757 1.268 928 HG21 VAL 118 3HG2 VAL 118 -17.944 -14.236 0.143 929 HG22 VAL 118 1HG2 VAL 118 -16.616 -13.373 0.919 930 HG23 VAL 118 2HG2 VAL 118 -17.625 -12.552 -0.272 931 H GLN 119 H GLN 119 -18.760 -15.903 4.067 932 HA GLN 119 HA GLN 119 -19.571 -17.559 1.849 933 HB2 GLN 119 2HB GLN 119 -18.688 -18.237 4.629 934 HB3 GLN 119 1HB GLN 119 -19.513 -19.434 3.654 935 HG2 GLN 119 2HG GLN 119 -17.039 -19.626 3.603 936 HG3 GLN 119 1HG GLN 119 -17.764 -19.413 2.019 937 HE21 GLN 119 1HE2 GLN 119 -17.308 -17.567 0.853 938 HE22 GLN 119 2HE2 GLN 119 -16.061 -16.473 1.306 939 H GLN 120 H GLN 120 -21.527 -16.393 1.648 940 HA GLN 120 HA GLN 120 -23.615 -18.042 2.857 941 HB2 GLN 120 2HB GLN 120 -23.566 -15.768 3.988 942 HB3 GLN 120 1HB GLN 120 -23.929 -15.045 2.427 943 HG2 GLN 120 2HG GLN 120 -25.933 -15.254 3.824 944 HG3 GLN 120 1HG GLN 120 -26.059 -16.199 2.343 945 HE21 GLN 120 1HE2 GLN 120 -24.217 -17.170 5.184 946 HE22 GLN 120 2HE2 GLN 120 -25.209 -18.519 5.587 947 H SER 121 H SER 121 -22.008 -17.614 0.296 948 HA SER 121 HA SER 121 -24.308 -17.779 -1.484 949 HB2 SER 121 2HB SER 121 -23.055 -15.645 -1.863 950 HB3 SER 121 1HB SER 121 -21.612 -16.592 -2.213 951 HG SER 121 HG SER 121 -24.070 -16.852 -3.597 952 H MET 122 H MET 122 -24.444 -19.896 -1.788 953 HA MET 122 HA MET 122 -22.141 -21.618 -1.893 954 HB2 MET 122 2HB MET 122 -25.009 -22.103 -2.698 955 HB3 MET 122 1HB MET 122 -23.785 -23.358 -2.662 956 HG2 MET 122 2HG MET 122 -23.537 -23.021 -0.244 957 HG3 MET 122 1HG MET 122 -24.795 -21.783 -0.302 958 HE1 MET 122 3HE MET 122 -27.332 -22.276 -0.969 959 HE2 MET 122 1HE MET 122 -27.926 -23.881 -1.391 960 HE3 MET 122 2HE MET 122 -26.807 -23.053 -2.467 961 H LEU 123 H LEU 123 -24.569 -20.765 -4.252 962 HA LEU 123 HA LEU 123 -22.476 -20.494 -6.243 963 HB2 LEU 123 2HB LEU 123 -23.852 -21.527 -8.013 964 HB3 LEU 123 1HB LEU 123 -23.463 -22.674 -6.762 965 HG LEU 123 HG LEU 123 -26.167 -21.323 -7.007 966 HD11 LEU 123 1HD1 LEU 123 -25.706 -22.645 -9.002 967 HD12 LEU 123 2HD1 LEU 123 -26.909 -23.451 -7.993 968 HD13 LEU 123 3HD1 LEU 123 -25.240 -24.015 -7.996 969 HD21 LEU 123 3HD2 LEU 123 -25.699 -22.228 -4.777 970 HD22 LEU 123 1HD2 LEU 123 -25.260 -23.782 -5.490 971 HD23 LEU 123 2HD2 LEU 123 -26.917 -23.202 -5.601 972 H SER 124 H SER 124 -25.738 -19.778 -5.165 973 HA SER 124 HA SER 124 -25.281 -17.073 -6.035 974 HB2 SER 124 2HB SER 124 -27.874 -18.601 -6.472 975 HB3 SER 124 1HB SER 124 -27.563 -16.917 -6.907 976 HG SER 124 HG SER 124 -25.650 -18.276 -7.983 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -2.740 -9.925 -22.741 2 H2 GLY 1 2HT GLY 1 -3.987 -11.057 -22.787 3 H3 GLY 1 3HT GLY 1 -2.728 -11.152 -23.917 4 HA2 GLY 1 1HA GLY 1 -2.501 -12.807 -22.179 5 HA3 GLY 1 2HA GLY 1 -1.194 -11.622 -22.113 6 H SER 2 H SER 2 -1.074 -12.413 -19.857 7 HA SER 2 HA SER 2 -2.605 -10.621 -18.198 8 HB2 SER 2 2HB SER 2 -3.901 -12.733 -18.139 9 HB3 SER 2 1HB SER 2 -2.441 -13.618 -17.701 10 HG SER 2 HG SER 2 -4.001 -12.897 -16.007 11 H TYR 3 H TYR 3 -1.567 -10.492 -16.067 12 HA TYR 3 HA TYR 3 1.290 -10.982 -16.275 13 HB2 TYR 3 2HB TYR 3 1.432 -9.423 -14.314 14 HB3 TYR 3 1HB TYR 3 0.801 -8.685 -15.777 15 HD1 TYR 3 1HD TYR 3 -0.157 -10.045 -12.450 16 HD2 TYR 3 2HD TYR 3 -1.307 -7.613 -15.739 17 HE1 TYR 3 1HE TYR 3 -2.042 -9.175 -11.143 18 HE2 TYR 3 2HE TYR 3 -3.209 -6.747 -14.436 19 HH TYR 3 HH TYR 3 -4.572 -7.325 -12.519 20 H ILE 4 H ILE 4 -1.352 -12.454 -15.232 21 HA ILE 4 HA ILE 4 -2.073 -13.727 -13.608 22 HB ILE 4 HB ILE 4 -1.018 -15.364 -15.029 23 HG12 ILE 4 2HG1 ILE 4 -0.499 -16.090 -12.131 24 HG13 ILE 4 1HG1 ILE 4 -2.062 -16.156 -12.933 25 HG21 ILE 4 1HG2 ILE 4 1.509 -15.030 -13.421 26 HG22 ILE 4 2HG2 ILE 4 1.261 -14.545 -15.096 27 HG23 ILE 4 3HG2 ILE 4 1.238 -16.254 -14.663 28 HD11 ILE 4 3HD1 ILE 4 0.357 -17.798 -13.642 29 HD12 ILE 4 1HD1 ILE 4 -1.215 -17.878 -14.440 30 HD13 ILE 4 2HD1 ILE 4 -1.055 -18.361 -12.749 31 HA PRO 5 HA PRO 5 -0.421 -11.956 -9.856 32 HB2 PRO 5 2HB PRO 5 -2.843 -11.854 -8.648 33 HB3 PRO 5 1HB PRO 5 -2.231 -10.572 -9.702 34 HG2 PRO 5 2HG PRO 5 -4.276 -12.657 -10.186 35 HG3 PRO 5 1HG PRO 5 -4.129 -11.047 -10.897 36 HD2 PRO 5 2HD PRO 5 -3.448 -13.434 -12.139 37 HD3 PRO 5 1HD PRO 5 -2.902 -11.820 -12.635 38 H GLY 6 H GLY 6 -1.167 -12.519 -7.458 39 HA2 GLY 6 2HA GLY 6 -1.184 -15.434 -7.220 40 HA3 GLY 6 1HA GLY 6 -0.664 -14.296 -5.979 41 H GLN 7 H GLN 7 -3.537 -14.438 -7.992 42 HA GLN 7 HA GLN 7 -5.210 -13.918 -5.716 43 HB2 GLN 7 2HB GLN 7 -5.779 -12.688 -7.601 44 HB3 GLN 7 1HB GLN 7 -5.681 -14.073 -8.686 45 HG2 GLN 7 2HG GLN 7 -7.733 -14.954 -7.676 46 HG3 GLN 7 1HG GLN 7 -7.783 -13.570 -6.584 47 HE21 GLN 7 1HE2 GLN 7 -6.807 -13.311 -9.950 48 HE22 GLN 7 2HE2 GLN 7 -8.176 -12.398 -10.449 49 HA PRO 8 HA PRO 8 -6.202 -18.226 -5.432 50 HB2 PRO 8 2HB PRO 8 -7.726 -18.063 -3.196 51 HB3 PRO 8 1HB PRO 8 -5.967 -17.994 -3.130 52 HG2 PRO 8 2HG PRO 8 -7.941 -15.780 -2.864 53 HG3 PRO 8 1HG PRO 8 -6.337 -15.948 -2.136 54 HD2 PRO 8 2HD PRO 8 -6.977 -14.400 -4.430 55 HD3 PRO 8 1HD PRO 8 -5.374 -14.861 -3.834 56 H VAL 9 H VAL 9 -9.095 -16.844 -4.008 57 HA VAL 9 HA VAL 9 -10.393 -16.757 -6.594 58 HB VAL 9 HB VAL 9 -12.473 -17.817 -5.758 59 HG11 VAL 9 1HG1 VAL 9 -11.718 -20.172 -5.948 60 HG12 VAL 9 2HG1 VAL 9 -10.051 -19.606 -5.824 61 HG13 VAL 9 3HG1 VAL 9 -11.050 -19.114 -7.192 62 HG21 VAL 9 3HG2 VAL 9 -12.438 -19.332 -3.833 63 HG22 VAL 9 1HG2 VAL 9 -12.110 -17.661 -3.363 64 HG23 VAL 9 2HG2 VAL 9 -10.786 -18.823 -3.488 65 H THR 10 H THR 10 -10.746 -16.071 -3.156 66 HA THR 10 HA THR 10 -12.713 -14.064 -3.858 67 HB THR 10 HB THR 10 -13.035 -15.709 -1.942 68 HG1 THR 10 1HG THR 10 -13.295 -13.078 -0.977 69 HG21 THR 10 3HG2 THR 10 -12.071 -15.123 0.247 70 HG22 THR 10 1HG2 THR 10 -11.230 -13.751 -0.492 71 HG23 THR 10 2HG2 THR 10 -10.768 -15.369 -0.930 72 H ALA 11 H ALA 11 -9.414 -14.179 -2.760 73 HA ALA 11 HA ALA 11 -9.336 -11.353 -2.088 74 HB1 ALA 11 1HB ALA 11 -6.965 -11.579 -1.972 75 HB2 ALA 11 2HB ALA 11 -7.049 -13.232 -2.612 76 HB3 ALA 11 3HB ALA 11 -7.727 -12.859 -1.017 77 H VAL 12 H VAL 12 -8.764 -9.756 -3.300 78 HA VAL 12 HA VAL 12 -8.643 -10.394 -6.147 79 HB VAL 12 HB VAL 12 -9.478 -7.764 -4.887 80 HG11 VAL 12 1HG1 VAL 12 -9.667 -8.750 -7.730 81 HG12 VAL 12 2HG1 VAL 12 -8.603 -7.476 -7.128 82 HG13 VAL 12 3HG1 VAL 12 -10.354 -7.242 -7.132 83 HG21 VAL 12 3HG2 VAL 12 -11.102 -9.517 -4.347 84 HG22 VAL 12 1HG2 VAL 12 -11.221 -9.941 -6.053 85 HG23 VAL 12 2HG2 VAL 12 -11.782 -8.364 -5.497 86 H VAL 13 H VAL 13 -6.790 -10.081 -7.079 87 HA VAL 13 HA VAL 13 -4.870 -8.164 -5.950 88 HB VAL 13 HB VAL 13 -4.344 -10.296 -8.002 89 HG11 VAL 13 1HG1 VAL 13 -1.969 -10.023 -7.300 90 HG12 VAL 13 2HG1 VAL 13 -2.466 -8.635 -6.324 91 HG13 VAL 13 3HG1 VAL 13 -2.693 -8.617 -8.064 92 HG21 VAL 13 3HG2 VAL 13 -4.019 -10.593 -4.999 93 HG22 VAL 13 1HG2 VAL 13 -3.329 -11.687 -6.200 94 HG23 VAL 13 2HG2 VAL 13 -5.071 -11.496 -6.060 95 H GLN 14 H GLN 14 -4.559 -6.384 -7.156 96 HA GLN 14 HA GLN 14 -5.288 -6.486 -9.965 97 HB2 GLN 14 2HB GLN 14 -6.682 -4.470 -9.773 98 HB3 GLN 14 1HB GLN 14 -7.325 -5.797 -8.820 99 HG2 GLN 14 2HG GLN 14 -7.502 -4.266 -7.155 100 HG3 GLN 14 1HG GLN 14 -5.758 -4.473 -7.011 101 HE21 GLN 14 1HE2 GLN 14 -4.424 -2.986 -7.876 102 HE22 GLN 14 2HE2 GLN 14 -4.962 -1.397 -8.285 103 H ARG 15 H ARG 15 -4.379 -4.826 -11.194 104 HA ARG 15 HA ARG 15 -1.846 -3.973 -10.106 105 HB2 ARG 15 2HB ARG 15 -1.232 -3.491 -12.451 106 HB3 ARG 15 1HB ARG 15 -1.802 -5.127 -12.233 107 HG2 ARG 15 2HG ARG 15 -2.805 -4.530 -14.221 108 HG3 ARG 15 1HG ARG 15 -4.086 -4.182 -13.065 109 HD2 ARG 15 2HD ARG 15 -3.889 -2.365 -14.678 110 HD3 ARG 15 1HD ARG 15 -3.397 -1.803 -13.076 111 HE ARG 15 HE ARG 15 -1.150 -2.747 -14.400 112 HH11 ARG 15 1HH1 ARG 15 -3.423 -0.049 -14.728 113 HH12 ARG 15 2HH1 ARG 15 -2.274 1.019 -15.363 114 HH21 ARG 15 1HH2 ARG 15 0.387 -1.344 -15.238 115 HH22 ARG 15 2HH2 ARG 15 0.013 0.260 -15.694 116 H VAL 16 H VAL 16 -1.095 -1.811 -10.223 117 HA VAL 16 HA VAL 16 -3.183 0.242 -10.607 118 HB VAL 16 HB VAL 16 -1.031 0.834 -8.679 119 HG11 VAL 16 1HG1 VAL 16 -3.896 1.558 -8.533 120 HG12 VAL 16 2HG1 VAL 16 -2.622 2.434 -9.368 121 HG13 VAL 16 3HG1 VAL 16 -2.525 2.238 -7.632 122 HG21 VAL 16 3HG2 VAL 16 -1.661 -1.381 -7.852 123 HG22 VAL 16 1HG2 VAL 16 -3.342 -0.871 -7.759 124 HG23 VAL 16 2HG2 VAL 16 -2.132 -0.111 -6.728 125 H GLU 17 H GLU 17 -2.218 2.313 -11.222 126 HA GLU 17 HA GLU 17 0.597 2.273 -11.910 127 HB2 GLU 17 2HB GLU 17 -0.595 1.401 -13.861 128 HB3 GLU 17 1HB GLU 17 -1.590 2.846 -13.882 129 HG2 GLU 17 2HG GLU 17 0.261 4.206 -14.453 130 HG3 GLU 17 1HG GLU 17 1.379 2.861 -14.190 131 H ILE 18 H ILE 18 1.306 3.931 -10.909 132 HA ILE 18 HA ILE 18 -0.374 6.308 -10.722 133 HB ILE 18 HB ILE 18 1.883 5.344 -8.984 134 HG12 ILE 18 2HG1 ILE 18 0.276 6.399 -7.183 135 HG13 ILE 18 1HG1 ILE 18 -0.887 6.365 -8.497 136 HG21 ILE 18 1HG2 ILE 18 2.098 7.520 -7.911 137 HG22 ILE 18 2HG2 ILE 18 1.097 8.234 -9.171 138 HG23 ILE 18 3HG2 ILE 18 2.654 7.517 -9.582 139 HD11 ILE 18 3HD1 ILE 18 0.533 3.969 -7.397 140 HD12 ILE 18 1HD1 ILE 18 -0.767 3.958 -8.591 141 HD13 ILE 18 2HD1 ILE 18 -1.059 4.485 -6.913 142 H HIS 19 H HIS 19 0.096 8.084 -11.746 143 HA HIS 19 HA HIS 19 2.567 8.213 -13.277 144 HB2 HIS 19 2HB HIS 19 -0.069 9.646 -13.482 145 HB3 HIS 19 1HB HIS 19 1.341 10.222 -14.367 146 HD1 HIS 19 1HD HIS 19 -0.473 9.636 -16.423 147 HD2 HIS 19 2HD HIS 19 1.308 6.460 -14.434 148 HE1 HIS 19 1HE HIS 19 -0.773 7.626 -17.899 149 H LYS 20 H LYS 20 3.801 10.057 -13.289 150 HA LYS 20 HA LYS 20 4.888 11.075 -10.987 151 HB2 LYS 20 2HB LYS 20 5.858 11.385 -13.228 152 HB3 LYS 20 1HB LYS 20 4.613 12.550 -13.606 153 HG2 LYS 20 2HG LYS 20 5.513 13.997 -11.764 154 HG3 LYS 20 1HG LYS 20 6.840 12.840 -11.620 155 HD2 LYS 20 2HD LYS 20 6.147 14.256 -14.198 156 HD3 LYS 20 1HD LYS 20 7.329 14.864 -13.049 157 HE2 LYS 20 2HE LYS 20 7.490 12.139 -14.347 158 HE3 LYS 20 1HE LYS 20 8.286 13.578 -14.978 159 HZ1 LYS 20 3HZ LYS 20 8.778 12.494 -12.248 160 HZ2 LYS 20 1HZ LYS 20 9.644 13.700 -13.038 161 HZ3 LYS 20 2HZ LYS 20 9.698 12.091 -13.571 162 H LEU 21 H LEU 21 3.952 12.015 -9.267 163 HA LEU 21 HA LEU 21 2.313 14.429 -9.681 164 HB2 LEU 21 2HB LEU 21 1.004 12.581 -8.840 165 HB3 LEU 21 1HB LEU 21 2.183 12.317 -7.576 166 HG LEU 21 HG LEU 21 1.643 14.694 -6.810 167 HD11 LEU 21 1HD1 LEU 21 -0.593 15.507 -7.359 168 HD12 LEU 21 2HD1 LEU 21 -0.719 14.261 -8.596 169 HD13 LEU 21 3HD1 LEU 21 0.518 15.513 -8.726 170 HD21 LEU 21 3HD2 LEU 21 0.943 12.722 -5.564 171 HD22 LEU 21 1HD2 LEU 21 -0.497 12.600 -6.568 172 HD23 LEU 21 2HD2 LEU 21 -0.286 13.986 -5.497 173 H ARG 22 H ARG 22 3.023 16.266 -8.533 174 HA ARG 22 HA ARG 22 5.151 15.888 -6.562 175 HB2 ARG 22 2HB ARG 22 4.195 18.370 -7.972 176 HB3 ARG 22 1HB ARG 22 5.468 18.320 -6.764 177 HG2 ARG 22 2HG ARG 22 6.743 16.831 -8.254 178 HG3 ARG 22 1HG ARG 22 5.497 17.068 -9.487 179 HD2 ARG 22 2HD ARG 22 5.889 19.461 -9.416 180 HD3 ARG 22 1HD ARG 22 7.108 19.210 -8.166 181 HE ARG 22 HE ARG 22 7.364 17.986 -10.810 182 HH11 ARG 22 1HH1 ARG 22 8.701 20.163 -8.338 183 HH12 ARG 22 2HH1 ARG 22 10.196 20.363 -9.125 184 HH21 ARG 22 1HH2 ARG 22 9.452 18.280 -11.884 185 HH22 ARG 22 2HH2 ARG 22 10.624 19.290 -11.183 186 H GLN 23 H GLN 23 4.733 16.257 -4.398 187 HA GLN 23 HA GLN 23 2.280 17.672 -3.790 188 HB2 GLN 23 2HB GLN 23 3.640 15.377 -2.405 189 HB3 GLN 23 1HB GLN 23 2.326 16.314 -1.715 190 HG2 GLN 23 2HG GLN 23 2.078 14.816 -4.296 191 HG3 GLN 23 1HG GLN 23 1.677 14.115 -2.727 192 HE21 GLN 23 1HE2 GLN 23 0.086 14.999 -1.579 193 HE22 GLN 23 2HE2 GLN 23 -1.232 15.875 -2.274 194 H GLY 24 H GLY 24 3.035 19.586 -3.243 195 HA2 GLY 24 2HA GLY 24 4.128 21.182 -2.011 196 HA3 GLY 24 1HA GLY 24 4.741 19.890 -0.986 197 H GLU 25 H GLU 25 6.827 19.566 -1.044 198 HA GLU 25 HA GLU 25 8.351 20.492 -3.389 199 HB2 GLU 25 2HB GLU 25 9.202 20.097 -0.521 200 HB3 GLU 25 1HB GLU 25 10.312 20.497 -1.826 201 HG2 GLU 25 2HG GLU 25 9.159 22.577 -2.209 202 HG3 GLU 25 1HG GLU 25 7.967 22.163 -0.979 203 H ASN 26 H ASN 26 6.968 17.871 -2.787 204 HA ASN 26 HA ASN 26 9.345 16.150 -3.148 205 HB2 ASN 26 2HB ASN 26 6.752 15.040 -2.135 206 HB3 ASN 26 1HB ASN 26 8.387 14.429 -1.911 207 HD21 ASN 26 1HD2 ASN 26 5.956 16.500 -0.850 208 HD22 ASN 26 2HD2 ASN 26 6.642 17.056 0.605 209 H LEU 27 H LEU 27 8.580 14.041 -4.142 210 HA LEU 27 HA LEU 27 6.562 14.419 -6.206 211 HB2 LEU 27 2HB LEU 27 9.067 14.517 -6.905 212 HB3 LEU 27 1HB LEU 27 9.141 12.857 -6.391 213 HG LEU 27 HG LEU 27 9.037 12.975 -8.781 214 HD11 LEU 27 1HD1 LEU 27 7.919 11.058 -7.856 215 HD12 LEU 27 2HD1 LEU 27 7.087 11.602 -9.314 216 HD13 LEU 27 3HD1 LEU 27 6.411 11.963 -7.726 217 HD21 LEU 27 3HD2 LEU 27 6.476 14.506 -8.454 218 HD22 LEU 27 1HD2 LEU 27 7.141 13.937 -9.984 219 HD23 LEU 27 2HD2 LEU 27 8.017 15.135 -9.035 220 H ILE 28 H ILE 28 5.029 13.005 -5.529 221 HA ILE 28 HA ILE 28 5.915 10.580 -4.128 222 HB ILE 28 HB ILE 28 3.302 11.856 -3.409 223 HG12 ILE 28 2HG1 ILE 28 5.985 12.810 -2.368 224 HG13 ILE 28 1HG1 ILE 28 4.747 13.710 -3.179 225 HG21 ILE 28 1HG2 ILE 28 3.838 9.635 -2.544 226 HG22 ILE 28 2HG2 ILE 28 3.761 10.822 -1.234 227 HG23 ILE 28 3HG2 ILE 28 5.325 10.272 -1.821 228 HD11 ILE 28 3HD1 ILE 28 3.230 13.567 -1.369 229 HD12 ILE 28 1HD1 ILE 28 4.772 14.161 -0.763 230 HD13 ILE 28 2HD1 ILE 28 4.294 12.478 -0.474 231 H LEU 29 H LEU 29 4.416 8.855 -4.403 232 HA LEU 29 HA LEU 29 2.946 8.881 -6.869 233 HB2 LEU 29 2HB LEU 29 2.989 6.845 -4.652 234 HB3 LEU 29 1HB LEU 29 2.426 6.549 -6.271 235 HG LEU 29 HG LEU 29 5.238 6.991 -5.338 236 HD11 LEU 29 1HD1 LEU 29 3.775 4.654 -6.459 237 HD12 LEU 29 2HD1 LEU 29 4.572 4.818 -4.897 238 HD13 LEU 29 3HD1 LEU 29 5.535 4.731 -6.373 239 HD21 LEU 29 3HD2 LEU 29 5.022 8.140 -7.471 240 HD22 LEU 29 1HD2 LEU 29 4.271 6.712 -8.187 241 HD23 LEU 29 2HD2 LEU 29 5.956 6.656 -7.673 242 H GLY 30 H GLY 30 2.280 10.211 -4.028 243 HA2 GLY 30 2HA GLY 30 0.266 11.368 -3.612 244 HA3 GLY 30 1HA GLY 30 -0.591 10.138 -4.528 245 H PHE 31 H PHE 31 0.623 7.916 -3.156 246 HA PHE 31 HA PHE 31 -1.041 8.095 -0.782 247 HB2 PHE 31 2HB PHE 31 -1.188 5.706 -0.871 248 HB3 PHE 31 1HB PHE 31 -1.534 6.375 -2.445 249 HD1 PHE 31 2HD PHE 31 -0.037 6.090 -4.278 250 HD2 PHE 31 1HD PHE 31 0.767 4.339 -0.523 251 HE1 PHE 31 2HE PHE 31 1.601 4.625 -5.331 252 HE2 PHE 31 1HE PHE 31 2.416 2.848 -1.544 253 HZ PHE 31 HZ PHE 31 2.860 2.984 -3.965 254 H SER 32 H SER 32 -0.390 6.732 1.060 255 HA SER 32 HA SER 32 2.459 6.992 1.713 256 HB2 SER 32 2HB SER 32 0.077 7.278 3.501 257 HB3 SER 32 1HB SER 32 1.759 7.448 3.972 258 HG SER 32 HG SER 32 1.682 9.124 2.112 259 H ILE 33 H ILE 33 3.030 5.472 3.579 260 HA ILE 33 HA ILE 33 1.644 2.932 3.144 261 HB ILE 33 HB ILE 33 3.627 1.737 2.876 262 HG12 ILE 33 2HG1 ILE 33 5.229 4.178 3.770 263 HG13 ILE 33 1HG1 ILE 33 4.897 2.743 4.742 264 HG21 ILE 33 1HG2 ILE 33 3.979 4.388 1.508 265 HG22 ILE 33 2HG2 ILE 33 3.136 2.971 0.877 266 HG23 ILE 33 3HG2 ILE 33 4.888 2.953 1.110 267 HD11 ILE 33 3HD1 ILE 33 6.697 2.930 2.319 268 HD12 ILE 33 1HD1 ILE 33 6.107 1.409 3.021 269 HD13 ILE 33 2HD1 ILE 33 7.093 2.503 3.981 270 H GLY 34 H GLY 34 2.119 1.372 4.834 271 HA2 GLY 34 2HA GLY 34 2.320 2.765 7.426 272 HA3 GLY 34 1HA GLY 34 1.446 1.261 7.158 273 H GLY 35 H GLY 35 3.716 0.327 5.455 274 HA2 GLY 35 2HA GLY 35 6.101 -0.107 6.188 275 HA3 GLY 35 1HA GLY 35 5.376 -0.422 7.721 276 H GLY 36 H GLY 36 6.888 -2.236 6.391 277 HA2 GLY 36 2HA GLY 36 4.867 -4.231 5.675 278 HA3 GLY 36 1HA GLY 36 6.549 -4.281 5.177 279 H ILE 37 H ILE 37 7.646 -5.743 6.134 280 HA ILE 37 HA ILE 37 6.642 -7.255 8.314 281 HB ILE 37 HB ILE 37 8.604 -8.597 8.241 282 HG12 ILE 37 2HG1 ILE 37 10.234 -6.649 8.148 283 HG13 ILE 37 1HG1 ILE 37 10.682 -8.020 7.102 284 HG21 ILE 37 1HG2 ILE 37 7.058 -8.914 6.421 285 HG22 ILE 37 2HG2 ILE 37 8.713 -9.172 5.845 286 HG23 ILE 37 3HG2 ILE 37 7.875 -7.655 5.491 287 HD11 ILE 37 3HD1 ILE 37 9.475 -5.365 6.407 288 HD12 ILE 37 1HD1 ILE 37 9.780 -6.645 5.236 289 HD13 ILE 37 2HD1 ILE 37 11.116 -5.879 6.106 290 H ASP 38 H ASP 38 8.551 -4.478 8.194 291 HA ASP 38 HA ASP 38 9.991 -4.718 10.631 292 HB2 ASP 38 2HB ASP 38 10.755 -3.274 8.883 293 HB3 ASP 38 1HB ASP 38 9.244 -2.392 8.858 294 H GLN 39 H GLN 39 6.749 -4.123 9.916 295 HA GLN 39 HA GLN 39 6.259 -2.490 12.315 296 HB2 GLN 39 2HB GLN 39 4.080 -3.314 10.395 297 HB3 GLN 39 1HB GLN 39 4.249 -1.810 11.281 298 HG2 GLN 39 2HG GLN 39 5.778 -2.621 8.906 299 HG3 GLN 39 1HG GLN 39 4.515 -1.398 9.051 300 HE21 GLN 39 1HE2 GLN 39 7.403 -1.508 8.395 301 HE22 GLN 39 2HE2 GLN 39 8.153 -0.239 9.296 302 H ASP 40 H ASP 40 3.793 -3.296 13.119 303 HA ASP 40 HA ASP 40 4.042 -6.201 13.470 304 HB2 ASP 40 2HB ASP 40 4.736 -4.641 15.600 305 HB3 ASP 40 1HB ASP 40 3.029 -4.550 15.681 306 HA PRO 41 HA PRO 41 -0.106 -5.812 12.007 307 HB2 PRO 41 2HB PRO 41 -0.907 -8.350 12.830 308 HB3 PRO 41 1HB PRO 41 -0.184 -7.923 11.277 309 HG2 PRO 41 2HG PRO 41 1.091 -9.151 13.676 310 HG3 PRO 41 1HG PRO 41 1.467 -9.367 11.958 311 HD2 PRO 41 2HD PRO 41 2.985 -7.881 13.605 312 HD3 PRO 41 1HD PRO 41 2.795 -7.546 11.869 313 H SER 42 H SER 42 0.693 -6.724 15.262 314 HA SER 42 HA SER 42 -1.938 -6.646 16.347 315 HB2 SER 42 2HB SER 42 0.602 -6.055 17.853 316 HB3 SER 42 1HB SER 42 -0.873 -6.824 18.454 317 HG SER 42 HG SER 42 1.209 -7.809 16.944 318 H GLN 43 H GLN 43 0.503 -4.231 15.693 319 HA GLN 43 HA GLN 43 -1.168 -2.189 17.010 320 HB2 GLN 43 2HB GLN 43 0.893 -0.850 17.230 321 HB3 GLN 43 1HB GLN 43 1.021 -2.374 18.082 322 HG2 GLN 43 2HG GLN 43 2.086 -2.867 15.592 323 HG3 GLN 43 1HG GLN 43 2.537 -1.200 15.903 324 HE21 GLN 43 1HE2 GLN 43 2.107 -3.734 18.272 325 HE22 GLN 43 2HE2 GLN 43 3.711 -3.753 18.859 326 H ASN 44 H ASN 44 -0.785 -3.400 14.185 327 HA ASN 44 HA ASN 44 -0.583 -0.828 12.828 328 HB2 ASN 44 2HB ASN 44 0.077 -3.537 11.920 329 HB3 ASN 44 1HB ASN 44 -0.540 -2.435 10.735 330 HD21 ASN 44 1HD2 ASN 44 1.423 -1.434 13.504 331 HD22 ASN 44 2HD2 ASN 44 2.740 -0.844 12.560 332 HA PRO 45 HA PRO 45 -4.767 -0.560 11.909 333 HB2 PRO 45 2HB PRO 45 -4.632 0.955 9.656 334 HB3 PRO 45 1HB PRO 45 -4.276 1.580 11.272 335 HG2 PRO 45 2HG PRO 45 -2.350 0.587 9.192 336 HG3 PRO 45 1HG PRO 45 -2.290 2.111 10.121 337 HD2 PRO 45 2HD PRO 45 -0.870 -0.055 10.756 338 HD3 PRO 45 1HD PRO 45 -1.573 1.002 12.021 339 H PHE 46 H PHE 46 -2.786 -1.172 9.021 340 HA PHE 46 HA PHE 46 -5.028 -2.685 7.910 341 HB2 PHE 46 2HB PHE 46 -2.719 -1.402 6.439 342 HB3 PHE 46 1HB PHE 46 -4.150 -2.133 5.716 343 HD1 PHE 46 2HD PHE 46 -6.427 -1.083 6.288 344 HD2 PHE 46 1HD PHE 46 -2.700 0.808 7.000 345 HE1 PHE 46 2HE PHE 46 -7.565 1.098 6.456 346 HE2 PHE 46 1HE PHE 46 -3.831 2.986 7.179 347 HZ PHE 46 HZ PHE 46 -6.225 3.141 6.905 348 H SER 47 H SER 47 -2.876 -3.579 9.757 349 HA SER 47 HA SER 47 -1.867 -5.751 8.036 350 HB2 SER 47 2HB SER 47 -0.200 -4.060 9.036 351 HB3 SER 47 1HB SER 47 -0.672 -4.736 10.555 352 HG SER 47 HG SER 47 0.147 -6.590 8.616 353 H GLU 48 H GLU 48 -4.015 -4.912 10.376 354 HA GLU 48 HA GLU 48 -3.427 -6.876 12.324 355 HB2 GLU 48 2HB GLU 48 -5.504 -6.170 13.444 356 HB3 GLU 48 1HB GLU 48 -4.423 -4.835 13.062 357 HG2 GLU 48 2HG GLU 48 -5.801 -4.113 11.296 358 HG3 GLU 48 1HG GLU 48 -6.756 -5.596 11.340 359 H ASP 49 H ASP 49 -4.845 -7.006 9.404 360 HA ASP 49 HA ASP 49 -7.149 -8.465 9.272 361 HB2 ASP 49 2HB ASP 49 -4.658 -9.025 7.658 362 HB3 ASP 49 1HB ASP 49 -6.320 -9.332 7.175 363 H LYS 50 H LYS 50 -3.894 -9.591 9.484 364 HA LYS 50 HA LYS 50 -4.464 -12.062 10.892 365 HB2 LYS 50 2HB LYS 50 -2.975 -11.994 8.218 366 HB3 LYS 50 1HB LYS 50 -3.159 -13.409 9.232 367 HG2 LYS 50 2HG LYS 50 -5.607 -13.349 8.785 368 HG3 LYS 50 1HG LYS 50 -5.328 -11.977 7.718 369 HD2 LYS 50 2HD LYS 50 -4.164 -14.756 7.351 370 HD3 LYS 50 1HD LYS 50 -5.571 -14.139 6.494 371 HE2 LYS 50 2HE LYS 50 -2.762 -13.037 6.326 372 HE3 LYS 50 1HE LYS 50 -3.531 -14.057 5.132 373 HZ1 LYS 50 3HZ LYS 50 -5.005 -12.393 4.528 374 HZ2 LYS 50 1HZ LYS 50 -3.541 -11.586 4.632 375 HZ3 LYS 50 2HZ LYS 50 -4.727 -11.437 5.854 376 H THR 51 H THR 51 -1.627 -12.844 10.240 377 HA THR 51 HA THR 51 -0.257 -10.652 11.565 378 HB THR 51 HB THR 51 1.565 -12.447 11.702 379 HG1 THR 51 1HG THR 51 0.435 -14.617 11.430 380 HG21 THR 51 3HG2 THR 51 -1.157 -12.999 12.874 381 HG22 THR 51 1HG2 THR 51 0.084 -11.967 13.579 382 HG23 THR 51 2HG2 THR 51 0.343 -13.714 13.460 383 H ASP 52 H ASP 52 -1.251 -10.728 8.911 384 HA ASP 52 HA ASP 52 0.647 -11.266 6.852 385 HB2 ASP 52 2HB ASP 52 -1.796 -11.475 6.718 386 HB3 ASP 52 1HB ASP 52 -1.939 -9.736 6.835 387 H LYS 53 H LYS 53 2.403 -9.986 6.809 388 HA LYS 53 HA LYS 53 2.012 -7.109 6.940 389 HB2 LYS 53 2HB LYS 53 4.467 -8.770 7.337 390 HB3 LYS 53 1HB LYS 53 4.417 -7.015 7.405 391 HG2 LYS 53 2HG LYS 53 2.922 -7.085 9.285 392 HG3 LYS 53 1HG LYS 53 2.839 -8.843 9.180 393 HD2 LYS 53 2HD LYS 53 5.310 -7.241 9.709 394 HD3 LYS 53 1HD LYS 53 4.326 -8.035 10.923 395 HE2 LYS 53 2HE LYS 53 5.865 -9.382 8.698 396 HE3 LYS 53 1HE LYS 53 6.245 -9.397 10.416 397 HZ1 LYS 53 3HZ LYS 53 5.169 -11.470 9.767 398 HZ2 LYS 53 1HZ LYS 53 3.814 -10.660 9.199 399 HZ3 LYS 53 2HZ LYS 53 4.197 -10.640 10.832 400 H GLY 54 H GLY 54 3.670 -5.976 5.737 401 HA2 GLY 54 2HA GLY 54 5.066 -6.301 3.513 402 HA3 GLY 54 1HA GLY 54 3.440 -6.670 2.891 403 H ILE 55 H ILE 55 4.689 -4.388 1.922 404 HA ILE 55 HA ILE 55 4.005 -2.213 3.613 405 HB ILE 55 HB ILE 55 4.858 -2.259 0.698 406 HG12 ILE 55 2HG1 ILE 55 6.511 -3.091 2.346 407 HG13 ILE 55 1HG1 ILE 55 7.060 -1.648 1.518 408 HG21 ILE 55 1HG2 ILE 55 4.628 0.058 2.599 409 HG22 ILE 55 2HG2 ILE 55 3.585 -0.216 1.213 410 HG23 ILE 55 3HG2 ILE 55 5.300 0.169 0.970 411 HD11 ILE 55 3HD1 ILE 55 7.633 -1.519 3.824 412 HD12 ILE 55 1HD1 ILE 55 5.962 -1.845 4.280 413 HD13 ILE 55 2HD1 ILE 55 6.350 -0.349 3.482 414 H TYR 56 H TYR 56 2.090 -1.531 3.972 415 HA TYR 56 HA TYR 56 0.131 -1.777 1.862 416 HB2 TYR 56 2HB TYR 56 -1.443 -1.469 4.043 417 HB3 TYR 56 1HB TYR 56 -0.965 -3.037 3.394 418 HD1 TYR 56 2HD TYR 56 0.123 -0.456 5.861 419 HD2 TYR 56 1HD TYR 56 0.155 -4.523 4.696 420 HE1 TYR 56 2HE TYR 56 1.329 -1.033 7.924 421 HE2 TYR 56 1HE TYR 56 1.381 -5.122 6.675 422 HH TYR 56 HH TYR 56 1.934 -2.872 9.293 423 H VAL 57 H VAL 57 -1.334 -0.183 1.669 424 HA VAL 57 HA VAL 57 -0.179 2.413 2.029 425 HB VAL 57 HB VAL 57 -2.712 1.498 0.674 426 HG11 VAL 57 1HG1 VAL 57 -1.325 4.151 0.653 427 HG12 VAL 57 2HG1 VAL 57 -2.906 3.802 1.360 428 HG13 VAL 57 3HG1 VAL 57 -2.662 3.680 -0.389 429 HG21 VAL 57 3HG2 VAL 57 -1.254 2.195 -1.330 430 HG22 VAL 57 1HG2 VAL 57 -0.935 0.639 -0.523 431 HG23 VAL 57 2HG2 VAL 57 0.055 2.048 -0.180 432 H THR 58 H THR 58 -0.684 3.846 3.527 433 HA THR 58 HA THR 58 -2.941 3.267 5.278 434 HB THR 58 HB THR 58 -1.669 4.904 6.790 435 HG1 THR 58 1HG THR 58 0.667 4.789 6.179 436 HG21 THR 58 3HG2 THR 58 -1.748 2.531 7.225 437 HG22 THR 58 1HG2 THR 58 -0.109 3.109 7.511 438 HG23 THR 58 2HG2 THR 58 -0.474 2.219 6.034 439 H ARG 59 H ARG 59 -1.863 5.426 2.863 440 HA ARG 59 HA ARG 59 -4.182 7.181 3.285 441 HB2 ARG 59 2HB ARG 59 -1.768 7.949 4.264 442 HB3 ARG 59 1HB ARG 59 -1.615 8.289 2.572 443 HG2 ARG 59 2HG ARG 59 -3.312 9.877 2.498 444 HG3 ARG 59 1HG ARG 59 -3.865 9.478 4.130 445 HD2 ARG 59 2HD ARG 59 -1.168 10.646 3.427 446 HD3 ARG 59 1HD ARG 59 -2.527 11.548 4.100 447 HE ARG 59 HE ARG 59 -2.334 9.923 6.033 448 HH11 ARG 59 1HH1 ARG 59 0.548 10.782 4.147 449 HH12 ARG 59 2HH1 ARG 59 1.604 10.656 5.474 450 HH21 ARG 59 1HH2 ARG 59 -0.879 9.749 7.801 451 HH22 ARG 59 2HH2 ARG 59 0.789 10.025 7.605 452 H VAL 60 H VAL 60 -4.798 7.989 1.236 453 HA VAL 60 HA VAL 60 -3.023 7.523 -0.988 454 HB VAL 60 HB VAL 60 -5.960 6.500 -0.972 455 HG11 VAL 60 1HG1 VAL 60 -4.277 6.866 -3.355 456 HG12 VAL 60 2HG1 VAL 60 -5.682 7.845 -2.918 457 HG13 VAL 60 3HG1 VAL 60 -5.874 6.121 -3.264 458 HG21 VAL 60 3HG2 VAL 60 -4.306 4.930 -0.248 459 HG22 VAL 60 1HG2 VAL 60 -3.386 5.208 -1.730 460 HG23 VAL 60 2HG2 VAL 60 -5.003 4.493 -1.811 461 H SER 61 H SER 61 -3.315 9.033 -2.645 462 HA SER 61 HA SER 61 -3.860 11.595 -2.023 463 HB2 SER 61 2HB SER 61 -4.130 11.653 -4.523 464 HB3 SER 61 1HB SER 61 -2.585 10.971 -3.935 465 HG SER 61 HG SER 61 -4.823 9.389 -4.314 466 H GLU 62 H GLU 62 -5.770 12.597 -1.714 467 HA GLU 62 HA GLU 62 -8.267 11.314 -2.010 468 HB2 GLU 62 2HB GLU 62 -9.241 13.463 -1.322 469 HB3 GLU 62 1HB GLU 62 -7.885 12.990 -0.301 470 HG2 GLU 62 2HG GLU 62 -6.430 14.524 -1.488 471 HG3 GLU 62 1HG GLU 62 -7.750 14.971 -2.554 472 H GLY 63 H GLY 63 -6.344 12.978 -4.181 473 HA2 GLY 63 2HA GLY 63 -8.250 12.620 -6.298 474 HA3 GLY 63 1HA GLY 63 -7.929 14.314 -5.917 475 H GLY 64 H GLY 64 -5.775 11.570 -5.796 476 HA2 GLY 64 2HA GLY 64 -4.075 12.931 -7.783 477 HA3 GLY 64 1HA GLY 64 -3.435 12.103 -6.368 478 HA PRO 65 HA PRO 65 -3.280 9.461 -10.220 479 HB2 PRO 65 2HB PRO 65 -0.859 8.367 -9.674 480 HB3 PRO 65 1HB PRO 65 -1.022 9.895 -10.528 481 HG2 PRO 65 2HG PRO 65 -0.425 9.380 -7.654 482 HG3 PRO 65 1HG PRO 65 0.282 10.589 -8.733 483 HD2 PRO 65 2HD PRO 65 -1.625 11.147 -6.917 484 HD3 PRO 65 1HD PRO 65 -1.521 12.037 -8.469 485 H ALA 66 H ALA 66 -2.503 8.694 -6.919 486 HA ALA 66 HA ALA 66 -2.500 5.924 -7.120 487 HB1 ALA 66 1HB ALA 66 -2.793 5.924 -4.666 488 HB2 ALA 66 2HB ALA 66 -3.161 7.663 -4.756 489 HB3 ALA 66 3HB ALA 66 -1.579 7.076 -5.215 490 H GLU 67 H GLU 67 -5.225 8.000 -5.992 491 HA GLU 67 HA GLU 67 -6.939 5.725 -6.203 492 HB2 GLU 67 2HB GLU 67 -8.813 7.199 -5.708 493 HB3 GLU 67 1HB GLU 67 -7.510 7.368 -4.549 494 HG2 GLU 67 2HG GLU 67 -7.010 9.508 -5.236 495 HG3 GLU 67 1HG GLU 67 -7.692 9.291 -6.840 496 H ILE 68 H ILE 68 -6.040 8.237 -8.399 497 HA ILE 68 HA ILE 68 -8.166 7.968 -10.212 498 HB ILE 68 HB ILE 68 -5.305 8.839 -10.548 499 HG12 ILE 68 2HG1 ILE 68 -6.720 10.391 -9.352 500 HG13 ILE 68 1HG1 ILE 68 -6.289 11.066 -10.916 501 HG21 ILE 68 1HG2 ILE 68 -5.802 9.638 -12.826 502 HG22 ILE 68 2HG2 ILE 68 -7.372 8.828 -12.749 503 HG23 ILE 68 3HG2 ILE 68 -5.882 7.883 -12.682 504 HD11 ILE 68 3HD1 ILE 68 -8.943 9.842 -10.161 505 HD12 ILE 68 1HD1 ILE 68 -8.509 10.436 -11.768 506 HD13 ILE 68 2HD1 ILE 68 -8.584 11.547 -10.406 507 H ALA 69 H ALA 69 -5.142 6.219 -9.861 508 HA ALA 69 HA ALA 69 -5.654 4.509 -12.079 509 HB1 ALA 69 1HB ALA 69 -3.793 3.219 -11.255 510 HB2 ALA 69 2HB ALA 69 -3.780 4.166 -9.761 511 HB3 ALA 69 3HB ALA 69 -3.395 4.932 -11.305 512 H GLY 70 H GLY 70 -5.682 3.934 -8.563 513 HA2 GLY 70 2HA GLY 70 -8.063 2.764 -8.187 514 HA3 GLY 70 1HA GLY 70 -7.200 1.487 -9.025 515 H LEU 71 H LEU 71 -5.453 3.582 -6.875 516 HA LEU 71 HA LEU 71 -5.039 1.336 -5.109 517 HB2 LEU 71 2HB LEU 71 -3.090 2.450 -5.914 518 HB3 LEU 71 1HB LEU 71 -3.697 4.018 -5.425 519 HG LEU 71 HG LEU 71 -2.984 3.684 -3.200 520 HD11 LEU 71 1HD1 LEU 71 -2.521 1.331 -2.354 521 HD12 LEU 71 2HD1 LEU 71 -2.865 0.714 -3.965 522 HD13 LEU 71 3HD1 LEU 71 -4.153 1.418 -3.000 523 HD21 LEU 71 3HD2 LEU 71 -0.781 2.745 -3.393 524 HD22 LEU 71 1HD2 LEU 71 -1.172 3.752 -4.781 525 HD23 LEU 71 2HD2 LEU 71 -1.206 1.994 -4.928 526 H GLN 72 H GLN 72 -6.016 1.143 -3.218 527 HA GLN 72 HA GLN 72 -7.394 3.500 -2.198 528 HB2 GLN 72 2HB GLN 72 -8.184 0.583 -1.910 529 HB3 GLN 72 1HB GLN 72 -9.046 1.973 -1.256 530 HG2 GLN 72 2HG GLN 72 -8.637 1.436 -4.187 531 HG3 GLN 72 1HG GLN 72 -10.085 1.017 -3.280 532 HE21 GLN 72 1HE2 GLN 72 -8.095 3.628 -4.349 533 HE22 GLN 72 2HE2 GLN 72 -9.293 4.848 -4.410 534 H ILE 73 H ILE 73 -7.475 3.560 0.024 535 HA ILE 73 HA ILE 73 -5.070 2.865 1.341 536 HB ILE 73 HB ILE 73 -7.725 3.717 2.557 537 HG12 ILE 73 2HG1 ILE 73 -5.218 5.271 1.929 538 HG13 ILE 73 1HG1 ILE 73 -6.717 5.351 1.012 539 HG21 ILE 73 1HG2 ILE 73 -6.338 2.588 4.221 540 HG22 ILE 73 2HG2 ILE 73 -6.415 4.320 4.544 541 HG23 ILE 73 3HG2 ILE 73 -4.979 3.624 3.794 542 HD11 ILE 73 3HD1 ILE 73 -6.408 7.252 2.484 543 HD12 ILE 73 1HD1 ILE 73 -6.335 6.166 3.873 544 HD13 ILE 73 2HD1 ILE 73 -7.838 6.312 2.942 545 H GLY 74 H GLY 74 -4.496 1.137 2.655 546 HA2 GLY 74 2HA GLY 74 -4.916 -0.754 3.956 547 HA3 GLY 74 1HA GLY 74 -6.527 -0.870 3.269 548 H ASP 75 H ASP 75 -4.494 -0.235 0.734 549 HA ASP 75 HA ASP 75 -4.678 -2.922 -0.180 550 HB2 ASP 75 2HB ASP 75 -3.760 -0.352 -1.362 551 HB3 ASP 75 1HB ASP 75 -3.179 -1.834 -2.097 552 H LYS 76 H LYS 76 -3.345 -4.432 0.094 553 HA LYS 76 HA LYS 76 -0.710 -3.859 1.163 554 HB2 LYS 76 2HB LYS 76 -2.183 -6.472 0.753 555 HB3 LYS 76 1HB LYS 76 -0.541 -6.365 1.373 556 HG2 LYS 76 2HG LYS 76 -1.329 -5.083 3.289 557 HG3 LYS 76 1HG LYS 76 -2.980 -5.153 2.665 558 HD2 LYS 76 2HD LYS 76 -2.982 -7.562 2.894 559 HD3 LYS 76 1HD LYS 76 -1.298 -7.546 3.407 560 HE2 LYS 76 2HE LYS 76 -2.812 -7.782 5.319 561 HE3 LYS 76 1HE LYS 76 -1.886 -6.289 5.403 562 HZ1 LYS 76 3HZ LYS 76 -4.783 -6.552 4.673 563 HZ2 LYS 76 1HZ LYS 76 -3.902 -5.096 4.562 564 HZ3 LYS 76 2HZ LYS 76 -4.117 -5.888 6.016 565 H ILE 77 H ILE 77 0.821 -3.463 -0.148 566 HA ILE 77 HA ILE 77 0.534 -3.963 -2.942 567 HB ILE 77 HB ILE 77 2.769 -2.641 -1.413 568 HG12 ILE 77 2HG1 ILE 77 0.586 -1.175 -2.813 569 HG13 ILE 77 1HG1 ILE 77 0.260 -1.833 -1.210 570 HG21 ILE 77 1HG2 ILE 77 1.820 -2.443 -4.285 571 HG22 ILE 77 2HG2 ILE 77 3.253 -3.317 -3.749 572 HG23 ILE 77 3HG2 ILE 77 3.178 -1.561 -3.579 573 HD11 ILE 77 3HD1 ILE 77 0.953 0.469 -1.195 574 HD12 ILE 77 1HD1 ILE 77 2.513 0.007 -1.906 575 HD13 ILE 77 2HD1 ILE 77 2.017 -0.595 -0.289 576 H MET 78 H MET 78 1.535 -5.501 -3.998 577 HA MET 78 HA MET 78 3.355 -7.257 -2.514 578 HB2 MET 78 2HB MET 78 1.818 -7.808 -5.046 579 HB3 MET 78 1HB MET 78 2.822 -8.955 -4.194 580 HG2 MET 78 2HG MET 78 0.331 -7.725 -3.029 581 HG3 MET 78 1HG MET 78 0.325 -9.218 -3.946 582 HE1 MET 78 3HE MET 78 1.703 -8.647 0.426 583 HE2 MET 78 1HE MET 78 0.640 -7.579 -0.482 584 HE3 MET 78 2HE MET 78 2.369 -7.607 -0.824 585 H GLN 79 H GLN 79 3.120 -5.128 -5.173 586 HA GLN 79 HA GLN 79 5.811 -5.717 -6.095 587 HB2 GLN 79 2HB GLN 79 4.648 -7.418 -7.172 588 HB3 GLN 79 1HB GLN 79 3.276 -6.426 -7.525 589 HG2 GLN 79 2HG GLN 79 4.636 -7.164 -9.428 590 HG3 GLN 79 1HG GLN 79 4.437 -5.401 -9.359 591 HE21 GLN 79 1HE2 GLN 79 6.161 -4.234 -9.090 592 HE22 GLN 79 2HE2 GLN 79 7.785 -4.862 -9.081 593 H VAL 80 H VAL 80 6.737 -3.855 -6.877 594 HA VAL 80 HA VAL 80 5.073 -1.578 -7.696 595 HB VAL 80 HB VAL 80 7.255 -1.520 -5.594 596 HG11 VAL 80 1HG1 VAL 80 5.986 0.858 -6.964 597 HG12 VAL 80 2HG1 VAL 80 7.661 0.351 -7.095 598 HG13 VAL 80 3HG1 VAL 80 7.038 0.933 -5.547 599 HG21 VAL 80 3HG2 VAL 80 4.347 -0.710 -5.507 600 HG22 VAL 80 1HG2 VAL 80 5.543 -0.388 -4.253 601 HG23 VAL 80 2HG2 VAL 80 5.142 -2.036 -4.697 602 H ASN 81 H ASN 81 5.646 -1.267 -9.703 603 HA ASN 81 HA ASN 81 6.784 -0.784 -11.590 604 HB2 ASN 81 2HB ASN 81 7.465 1.013 -9.815 605 HB3 ASN 81 1HB ASN 81 9.048 0.264 -9.949 606 HD21 ASN 81 1HD2 ASN 81 6.758 0.664 -12.681 607 HD22 ASN 81 2HD2 ASN 81 7.691 1.848 -13.472 608 H GLY 82 H GLY 82 7.269 -3.409 -10.625 609 HA2 GLY 82 2HA GLY 82 8.386 -5.134 -11.565 610 HA3 GLY 82 1HA GLY 82 9.722 -4.076 -12.085 611 H TRP 83 H TRP 83 9.260 -3.288 -8.975 612 HA TRP 83 HA TRP 83 11.123 -5.306 -8.003 613 HB2 TRP 83 2HB TRP 83 12.296 -3.536 -7.233 614 HB3 TRP 83 1HB TRP 83 11.097 -2.470 -7.919 615 HD1 TRP 83 HD TRP 83 9.010 -1.869 -6.147 616 HE1 TRP 83 1HE TRP 83 9.201 -1.337 -3.622 617 HE3 TRP 83 3HE TRP 83 13.574 -3.924 -5.207 618 HZ2 TRP 83 2HZ TRP 83 11.026 -1.671 -1.578 619 HZ3 TRP 83 3HZ TRP 83 14.492 -3.767 -2.939 620 HH2 TRP 83 HH TRP 83 13.252 -2.664 -1.151 621 H ASP 84 H ASP 84 10.816 -6.144 -5.873 622 HA ASP 84 HA ASP 84 8.120 -7.033 -5.412 623 HB2 ASP 84 2HB ASP 84 10.029 -8.516 -5.183 624 HB3 ASP 84 1HB ASP 84 10.714 -7.390 -4.009 625 H MET 85 H MET 85 6.722 -6.155 -3.955 626 HA MET 85 HA MET 85 7.964 -4.622 -1.791 627 HB2 MET 85 2HB MET 85 6.786 -3.069 -3.348 628 HB3 MET 85 1HB MET 85 5.320 -3.974 -3.096 629 HG2 MET 85 2HG MET 85 4.941 -3.185 -1.026 630 HG3 MET 85 1HG MET 85 6.639 -2.890 -0.678 631 HE1 MET 85 3HE MET 85 7.323 0.493 -2.417 632 HE2 MET 85 1HE MET 85 7.579 -1.109 -3.112 633 HE3 MET 85 2HE MET 85 7.949 -0.820 -1.417 634 H THR 86 H THR 86 6.528 -7.351 -2.424 635 HA THR 86 HA THR 86 4.576 -7.444 -0.370 636 HB THR 86 HB THR 86 4.109 -8.985 -2.075 637 HG1 THR 86 1HG THR 86 4.494 -9.894 0.345 638 HG21 THR 86 3HG2 THR 86 6.900 -10.061 -1.767 639 HG22 THR 86 1HG2 THR 86 6.286 -9.136 -3.128 640 HG23 THR 86 2HG2 THR 86 5.668 -10.763 -2.817 641 H MET 87 H MET 87 7.990 -7.954 -0.367 642 HA MET 87 HA MET 87 7.752 -8.215 2.519 643 HB2 MET 87 2HB MET 87 8.065 -10.524 1.754 644 HB3 MET 87 1HB MET 87 9.494 -10.052 0.851 645 HG2 MET 87 2HG MET 87 10.606 -9.469 2.972 646 HG3 MET 87 1HG MET 87 9.173 -10.003 3.845 647 HE1 MET 87 3HE MET 87 12.150 -11.083 4.380 648 HE2 MET 87 1HE MET 87 11.829 -12.804 4.605 649 HE3 MET 87 2HE MET 87 10.740 -11.603 5.298 650 H VAL 88 H VAL 88 8.343 -6.065 2.632 651 HA VAL 88 HA VAL 88 11.172 -5.587 2.467 652 HB VAL 88 HB VAL 88 10.366 -4.990 0.198 653 HG11 VAL 88 1HG1 VAL 88 8.573 -3.053 1.612 654 HG12 VAL 88 2HG1 VAL 88 8.070 -4.439 0.662 655 HG13 VAL 88 3HG1 VAL 88 8.862 -3.072 -0.124 656 HG21 VAL 88 3HG2 VAL 88 12.229 -3.752 1.101 657 HG22 VAL 88 1HG2 VAL 88 11.124 -2.623 1.883 658 HG23 VAL 88 2HG2 VAL 88 11.220 -2.686 0.126 659 H THR 89 H THR 89 11.771 -3.770 3.721 660 HA THR 89 HA THR 89 10.062 -3.326 5.930 661 HB THR 89 HB THR 89 11.924 -1.707 6.560 662 HG1 THR 89 1HG THR 89 13.507 -3.002 4.699 663 HG21 THR 89 3HG2 THR 89 13.418 -3.472 7.263 664 HG22 THR 89 1HG2 THR 89 12.744 -4.567 6.046 665 HG23 THR 89 2HG2 THR 89 11.742 -4.025 7.386 666 H HIS 90 H HIS 90 9.406 -1.325 6.615 667 HA HIS 90 HA HIS 90 8.062 0.404 4.871 668 HB2 HIS 90 2HB HIS 90 7.709 0.256 7.330 669 HB3 HIS 90 1HB HIS 90 9.232 1.034 7.609 670 HD1 HIS 90 1HD HIS 90 5.708 1.780 7.480 671 HD2 HIS 90 2HD HIS 90 9.160 3.784 6.355 672 HE1 HIS 90 1HE HIS 90 5.003 4.083 7.054 673 H ASP 91 H ASP 91 11.178 0.583 6.353 674 HA ASP 91 HA ASP 91 12.108 3.065 5.579 675 HB2 ASP 91 2HB ASP 91 13.112 1.626 7.287 676 HB3 ASP 91 1HB ASP 91 13.571 0.496 6.033 677 H GLN 92 H GLN 92 12.592 -0.058 4.069 678 HA GLN 92 HA GLN 92 14.125 1.028 1.899 679 HB2 GLN 92 2HB GLN 92 13.307 -1.622 2.788 680 HB3 GLN 92 1HB GLN 92 13.341 -1.477 1.044 681 HG2 GLN 92 2HG GLN 92 15.460 -2.334 1.944 682 HG3 GLN 92 1HG GLN 92 15.673 -0.810 1.098 683 HE21 GLN 92 1HE2 GLN 92 14.451 -1.169 4.401 684 HE22 GLN 92 2HE2 GLN 92 15.770 -0.321 5.120 685 H ALA 93 H ALA 93 10.802 0.328 2.384 686 HA ALA 93 HA ALA 93 10.081 0.379 -0.386 687 HB1 ALA 93 1HB ALA 93 8.816 -0.847 1.258 688 HB2 ALA 93 2HB ALA 93 7.800 0.332 0.411 689 HB3 ALA 93 3HB ALA 93 8.351 0.651 2.052 690 H ARG 94 H ARG 94 10.111 2.622 2.278 691 HA ARG 94 HA ARG 94 8.664 4.708 1.214 692 HB2 ARG 94 2HB ARG 94 10.910 4.560 3.135 693 HB3 ARG 94 1HB ARG 94 10.349 6.176 2.661 694 HG2 ARG 94 2HG ARG 94 8.642 3.981 3.779 695 HG3 ARG 94 1HG ARG 94 9.413 5.230 4.753 696 HD2 ARG 94 2HD ARG 94 7.640 5.934 2.449 697 HD3 ARG 94 1HD ARG 94 6.958 5.569 4.039 698 HE ARG 94 HE ARG 94 9.053 7.439 4.236 699 HH11 ARG 94 1HH1 ARG 94 5.718 7.348 2.994 700 HH12 ARG 94 2HH1 ARG 94 5.341 8.892 3.593 701 HH21 ARG 94 1HH2 ARG 94 8.487 9.585 4.986 702 HH22 ARG 94 2HH2 ARG 94 6.907 10.171 4.757 703 H LYS 95 H LYS 95 11.992 3.939 0.602 704 HA LYS 95 HA LYS 95 11.884 6.112 -1.272 705 HB2 LYS 95 2HB LYS 95 14.427 5.797 -1.683 706 HB3 LYS 95 1HB LYS 95 13.882 6.678 -0.279 707 HG2 LYS 95 2HG LYS 95 14.531 3.778 -0.066 708 HG3 LYS 95 1HG LYS 95 15.825 4.979 -0.090 709 HD2 LYS 95 2HD LYS 95 14.671 6.168 1.748 710 HD3 LYS 95 1HD LYS 95 13.508 4.844 1.816 711 HE2 LYS 95 2HE LYS 95 15.298 3.294 2.343 712 HE3 LYS 95 1HE LYS 95 16.475 4.607 2.235 713 HZ1 LYS 95 3HZ LYS 95 15.718 4.095 4.539 714 HZ2 LYS 95 1HZ LYS 95 14.184 4.586 4.079 715 HZ3 LYS 95 2HZ LYS 95 15.445 5.697 4.065 716 H ARG 96 H ARG 96 10.457 4.671 -1.977 717 HA ARG 96 HA ARG 96 11.463 3.990 -4.563 718 HB2 ARG 96 2HB ARG 96 11.476 1.780 -3.294 719 HB3 ARG 96 1HB ARG 96 9.731 1.953 -3.131 720 HG2 ARG 96 2HG ARG 96 10.116 0.515 -4.982 721 HG3 ARG 96 1HG ARG 96 9.595 2.073 -5.628 722 HD2 ARG 96 2HD ARG 96 12.082 2.630 -5.866 723 HD3 ARG 96 1HD ARG 96 12.372 0.919 -5.562 724 HE ARG 96 HE ARG 96 10.789 1.992 -7.781 725 HH11 ARG 96 1HH1 ARG 96 13.220 -0.306 -6.572 726 HH12 ARG 96 2HH1 ARG 96 13.377 -1.130 -8.045 727 HH21 ARG 96 1HH2 ARG 96 11.007 0.864 -9.779 728 HH22 ARG 96 2HH2 ARG 96 12.055 -0.467 -9.945 729 H LEU 97 H LEU 97 8.733 4.013 -2.364 730 HA LEU 97 HA LEU 97 7.093 4.913 -4.580 731 HB2 LEU 97 2HB LEU 97 5.253 4.690 -2.807 732 HB3 LEU 97 1HB LEU 97 5.970 3.261 -3.535 733 HG LEU 97 HG LEU 97 7.460 3.179 -1.488 734 HD11 LEU 97 1HD1 LEU 97 5.406 5.078 -0.409 735 HD12 LEU 97 2HD1 LEU 97 7.113 5.418 -0.682 736 HD13 LEU 97 3HD1 LEU 97 6.636 4.222 0.526 737 HD21 LEU 97 3HD2 LEU 97 5.884 1.996 -0.283 738 HD22 LEU 97 1HD2 LEU 97 5.613 1.721 -2.001 739 HD23 LEU 97 2HD2 LEU 97 4.542 2.828 -1.105 740 H THR 98 H THR 98 8.449 6.268 -1.700 741 HA THR 98 HA THR 98 7.157 8.714 -2.626 742 HB THR 98 HB THR 98 6.446 8.219 -0.320 743 HG1 THR 98 1HG THR 98 8.013 10.476 -0.817 744 HG21 THR 98 3HG2 THR 98 8.404 7.035 0.488 745 HG22 THR 98 1HG2 THR 98 8.014 8.377 1.564 746 HG23 THR 98 2HG2 THR 98 9.355 8.521 0.420 747 H LYS 99 H LYS 99 9.789 7.270 -3.286 748 HA LYS 99 HA LYS 99 11.620 9.417 -2.816 749 HB2 LYS 99 2HB LYS 99 13.245 8.272 -4.190 750 HB3 LYS 99 1HB LYS 99 12.401 7.051 -3.255 751 HG2 LYS 99 2HG LYS 99 11.278 6.221 -5.098 752 HG3 LYS 99 1HG LYS 99 11.513 7.705 -6.023 753 HD2 LYS 99 2HD LYS 99 12.993 5.983 -6.918 754 HD3 LYS 99 1HD LYS 99 13.922 7.235 -6.094 755 HE2 LYS 99 2HE LYS 99 14.233 5.875 -4.196 756 HE3 LYS 99 1HE LYS 99 13.168 4.632 -4.815 757 HZ1 LYS 99 3HZ LYS 99 15.449 4.009 -5.150 758 HZ2 LYS 99 1HZ LYS 99 15.784 5.434 -5.978 759 HZ3 LYS 99 2HZ LYS 99 14.745 4.275 -6.639 760 H ARG 100 H ARG 100 12.698 10.475 -4.919 761 HA ARG 100 HA ARG 100 10.391 11.382 -6.511 762 HB2 ARG 100 2HB ARG 100 11.591 13.586 -6.722 763 HB3 ARG 100 1HB ARG 100 11.021 13.204 -5.106 764 HG2 ARG 100 2HG ARG 100 13.195 12.645 -4.377 765 HG3 ARG 100 1HG ARG 100 13.830 12.707 -6.018 766 HD2 ARG 100 2HD ARG 100 14.444 14.703 -4.692 767 HD3 ARG 100 1HD ARG 100 13.459 15.116 -6.087 768 HE ARG 100 HE ARG 100 11.803 15.820 -4.732 769 HH11 ARG 100 1HH1 ARG 100 14.088 14.017 -2.682 770 HH12 ARG 100 2HH1 ARG 100 13.640 14.760 -1.230 771 HH21 ARG 100 1HH2 ARG 100 11.193 16.923 -2.617 772 HH22 ARG 100 2HH2 ARG 100 11.994 16.421 -1.202 773 H SER 101 H SER 101 12.981 9.593 -6.762 774 HA SER 101 HA SER 101 14.301 10.646 -9.045 775 HB2 SER 101 2HB SER 101 14.294 8.006 -7.722 776 HB3 SER 101 1HB SER 101 15.500 8.491 -8.919 777 HG SER 101 HG SER 101 16.151 10.113 -7.493 778 H GLU 102 H GLU 102 11.759 8.273 -8.546 779 HA GLU 102 HA GLU 102 11.705 7.799 -11.424 780 HB2 GLU 102 2HB GLU 102 10.731 5.615 -10.903 781 HB3 GLU 102 1HB GLU 102 12.266 5.885 -10.094 782 HG2 GLU 102 2HG GLU 102 10.972 6.497 -8.036 783 HG3 GLU 102 1HG GLU 102 9.537 5.879 -8.859 784 H GLU 103 H GLU 103 9.322 7.071 -12.102 785 HA GLU 103 HA GLU 103 7.488 8.896 -10.822 786 HB2 GLU 103 2HB GLU 103 6.648 9.574 -13.166 787 HB3 GLU 103 1HB GLU 103 8.026 10.402 -12.462 788 HG2 GLU 103 2HG GLU 103 8.389 8.106 -14.361 789 HG3 GLU 103 1HG GLU 103 8.070 9.732 -14.963 790 H VAL 104 H VAL 104 6.931 7.190 -13.911 791 HA VAL 104 HA VAL 104 4.409 6.384 -12.897 792 HB VAL 104 HB VAL 104 5.665 5.320 -15.424 793 HG11 VAL 104 1HG1 VAL 104 3.303 5.157 -16.118 794 HG12 VAL 104 2HG1 VAL 104 2.911 5.576 -14.428 795 HG13 VAL 104 3HG1 VAL 104 3.790 4.099 -14.780 796 HG21 VAL 104 3HG2 VAL 104 4.599 7.117 -16.611 797 HG22 VAL 104 1HG2 VAL 104 5.792 7.708 -15.452 798 HG23 VAL 104 2HG2 VAL 104 4.062 7.832 -15.071 799 H VAL 105 H VAL 105 4.122 4.852 -11.680 800 HA VAL 105 HA VAL 105 5.990 2.619 -11.702 801 HB VAL 105 HB VAL 105 5.145 2.238 -9.326 802 HG11 VAL 105 1HG1 VAL 105 7.369 3.217 -9.844 803 HG12 VAL 105 2HG1 VAL 105 6.666 3.949 -8.402 804 HG13 VAL 105 3HG1 VAL 105 6.629 4.814 -9.938 805 HG21 VAL 105 3HG2 VAL 105 4.279 5.086 -9.660 806 HG22 VAL 105 1HG2 VAL 105 4.112 4.089 -8.220 807 HG23 VAL 105 2HG2 VAL 105 3.173 3.727 -9.692 808 H ARG 106 H ARG 106 5.152 0.585 -11.214 809 HA ARG 106 HA ARG 106 2.444 0.110 -12.293 810 HB2 ARG 106 2HB ARG 106 4.964 -1.534 -12.682 811 HB3 ARG 106 1HB ARG 106 3.388 -1.831 -13.398 812 HG2 ARG 106 2HG ARG 106 4.792 0.750 -13.968 813 HG3 ARG 106 1HG ARG 106 5.273 -0.713 -14.821 814 HD2 ARG 106 2HD ARG 106 2.444 0.298 -14.715 815 HD3 ARG 106 1HD ARG 106 3.584 0.686 -16.012 816 HE ARG 106 HE ARG 106 3.382 -2.106 -15.471 817 HH11 ARG 106 1HH1 ARG 106 1.720 0.492 -17.200 818 HH12 ARG 106 2HH1 ARG 106 1.223 -0.482 -18.489 819 HH21 ARG 106 1HH2 ARG 106 2.686 -3.465 -17.221 820 HH22 ARG 106 2HH2 ARG 106 1.748 -2.829 -18.475 821 H LEU 107 H LEU 107 1.436 -0.451 -10.390 822 HA LEU 107 HA LEU 107 2.998 -2.020 -8.461 823 HB2 LEU 107 2HB LEU 107 0.500 -0.507 -7.828 824 HB3 LEU 107 1HB LEU 107 1.717 -1.101 -6.725 825 HG LEU 107 HG LEU 107 2.041 1.156 -6.651 826 HD11 LEU 107 1HD1 LEU 107 4.118 0.121 -7.107 827 HD12 LEU 107 2HD1 LEU 107 4.035 1.776 -7.686 828 HD13 LEU 107 3HD1 LEU 107 3.905 0.430 -8.828 829 HD21 LEU 107 3HD2 LEU 107 0.477 1.867 -8.292 830 HD22 LEU 107 1HD2 LEU 107 1.548 1.352 -9.605 831 HD23 LEU 107 2HD2 LEU 107 2.000 2.682 -8.525 832 H LEU 108 H LEU 108 1.856 -3.563 -7.285 833 HA LEU 108 HA LEU 108 -0.734 -4.409 -8.341 834 HB2 LEU 108 2HB LEU 108 1.722 -5.853 -8.344 835 HB3 LEU 108 1HB LEU 108 0.537 -6.732 -7.386 836 HG LEU 108 HG LEU 108 -0.950 -6.400 -9.473 837 HD11 LEU 108 1HD1 LEU 108 0.268 -6.276 -11.592 838 HD12 LEU 108 2HD1 LEU 108 1.762 -5.968 -10.707 839 HD13 LEU 108 3HD1 LEU 108 0.440 -4.803 -10.637 840 HD21 LEU 108 3HD2 LEU 108 -0.016 -8.451 -10.491 841 HD22 LEU 108 1HD2 LEU 108 -0.133 -8.562 -8.734 842 HD23 LEU 108 2HD2 LEU 108 1.426 -8.257 -9.499 843 H VAL 109 H VAL 109 -2.158 -4.507 -6.863 844 HA VAL 109 HA VAL 109 -1.306 -4.761 -4.062 845 HB VAL 109 HB VAL 109 -3.156 -3.319 -3.362 846 HG11 VAL 109 1HG1 VAL 109 -2.205 -1.180 -4.075 847 HG12 VAL 109 2HG1 VAL 109 -1.295 -2.019 -5.331 848 HG13 VAL 109 3HG1 VAL 109 -0.961 -2.348 -3.627 849 HG21 VAL 109 3HG2 VAL 109 -4.664 -3.633 -5.242 850 HG22 VAL 109 1HG2 VAL 109 -3.535 -2.774 -6.286 851 HG23 VAL 109 2HG2 VAL 109 -4.342 -1.924 -4.968 852 H THR 110 H THR 110 -2.898 -5.625 -2.594 853 HA THR 110 HA THR 110 -4.816 -7.413 -3.925 854 HB THR 110 HB THR 110 -4.241 -9.143 -2.324 855 HG1 THR 110 1HG THR 110 -2.000 -7.444 -1.672 856 HG21 THR 110 3HG2 THR 110 -3.110 -9.030 -4.533 857 HG22 THR 110 1HG2 THR 110 -2.133 -9.854 -3.306 858 HG23 THR 110 2HG2 THR 110 -1.776 -8.190 -3.759 859 H ARG 111 H ARG 111 -6.636 -7.806 -2.826 860 HA ARG 111 HA ARG 111 -7.089 -6.134 -0.472 861 HB2 ARG 111 2HB ARG 111 -9.072 -7.617 -2.187 862 HB3 ARG 111 1HB ARG 111 -9.478 -6.494 -0.881 863 HG2 ARG 111 2HG ARG 111 -8.184 -5.830 -3.541 864 HG3 ARG 111 1HG ARG 111 -9.830 -5.449 -3.054 865 HD2 ARG 111 2HD ARG 111 -7.338 -4.370 -1.724 866 HD3 ARG 111 1HD ARG 111 -8.277 -3.512 -2.934 867 HE ARG 111 HE ARG 111 -10.069 -4.149 -0.945 868 HH11 ARG 111 1HH1 ARG 111 -7.120 -2.232 -1.181 869 HH12 ARG 111 2HH1 ARG 111 -7.536 -1.148 0.062 870 HH21 ARG 111 1HH2 ARG 111 -10.665 -2.707 0.759 871 HH22 ARG 111 2HH2 ARG 111 -9.637 -1.437 1.211 872 H GLN 112 H GLN 112 -5.993 -7.427 0.899 873 HA GLN 112 HA GLN 112 -6.654 -10.263 1.179 874 HB2 GLN 112 2HB GLN 112 -4.743 -8.577 2.772 875 HB3 GLN 112 1HB GLN 112 -4.873 -10.325 2.829 876 HG2 GLN 112 2HG GLN 112 -4.157 -8.759 0.408 877 HG3 GLN 112 1HG GLN 112 -2.958 -9.468 1.501 878 HE21 GLN 112 1HE2 GLN 112 -5.286 -10.053 -0.996 879 HE22 GLN 112 2HE2 GLN 112 -4.811 -11.689 -1.310 880 H SER 113 H SER 113 -7.837 -7.396 2.346 881 HA SER 113 HA SER 113 -8.354 -8.175 5.050 882 HB2 SER 113 2HB SER 113 -9.516 -5.908 3.431 883 HB3 SER 113 1HB SER 113 -9.415 -6.025 5.191 884 HG SER 113 HG SER 113 -7.162 -6.112 4.972 885 H LEU 114 H LEU 114 -9.354 -9.742 2.773 886 HA LEU 114 HA LEU 114 -11.142 -10.774 1.890 887 HB2 LEU 114 2HB LEU 114 -11.922 -10.470 4.729 888 HB3 LEU 114 1HB LEU 114 -13.044 -11.246 3.619 889 HG LEU 114 HG LEU 114 -11.184 -12.924 3.160 890 HD11 LEU 114 1HD1 LEU 114 -9.944 -11.662 5.592 891 HD12 LEU 114 2HD1 LEU 114 -9.301 -11.625 3.951 892 HD13 LEU 114 3HD1 LEU 114 -9.418 -13.158 4.815 893 HD21 LEU 114 3HD2 LEU 114 -11.594 -14.186 5.215 894 HD22 LEU 114 1HD2 LEU 114 -13.069 -13.468 4.567 895 HD23 LEU 114 2HD2 LEU 114 -12.268 -12.738 5.962 896 H GLN 115 H GLN 115 -11.522 -9.116 0.453 897 HA GLN 115 HA GLN 115 -14.153 -7.942 0.825 898 HB2 GLN 115 2HB GLN 115 -12.358 -6.185 1.139 899 HB3 GLN 115 1HB GLN 115 -11.838 -6.607 -0.501 900 HG2 GLN 115 2HG GLN 115 -13.958 -5.850 -1.402 901 HG3 GLN 115 1HG GLN 115 -14.509 -5.440 0.219 902 HE21 GLN 115 1HE2 GLN 115 -14.809 -3.312 -0.379 903 HE22 GLN 115 2HE2 GLN 115 -13.495 -2.223 -0.600 904 H LYS 116 H LYS 116 -15.158 -7.725 -1.049 905 HA LYS 116 HA LYS 116 -14.062 -9.137 -3.375 906 HB2 LYS 116 2HB LYS 116 -16.916 -9.413 -2.366 907 HB3 LYS 116 1HB LYS 116 -16.230 -10.207 -3.777 908 HG2 LYS 116 2HG LYS 116 -14.711 -11.464 -2.324 909 HG3 LYS 116 1HG LYS 116 -15.395 -10.657 -0.920 910 HD2 LYS 116 2HD LYS 116 -16.364 -12.862 -1.142 911 HD3 LYS 116 1HD LYS 116 -17.593 -11.640 -1.462 912 HE2 LYS 116 2HE LYS 116 -17.666 -13.540 -3.044 913 HE3 LYS 116 1HE LYS 116 -17.389 -11.994 -3.844 914 HZ1 LYS 116 3HZ LYS 116 -15.095 -12.499 -4.054 915 HZ2 LYS 116 1HZ LYS 116 -15.943 -13.787 -4.668 916 HZ3 LYS 116 2HZ LYS 116 -15.205 -13.913 -3.156 917 H ALA 117 H ALA 117 -13.669 -7.334 -4.462 918 HA ALA 117 HA ALA 117 -15.673 -5.236 -4.528 919 HB1 ALA 117 1HB ALA 117 -13.377 -4.589 -3.979 920 HB2 ALA 117 2HB ALA 117 -13.903 -3.852 -5.494 921 HB3 ALA 117 3HB ALA 117 -12.824 -5.244 -5.521 922 H VAL 118 H VAL 118 -16.074 -4.201 -6.552 923 HA VAL 118 HA VAL 118 -16.756 -4.078 -8.649 924 HB VAL 118 HB VAL 118 -14.761 -6.290 -9.282 925 HG11 VAL 118 1HG1 VAL 118 -16.159 -4.368 -11.147 926 HG12 VAL 118 2HG1 VAL 118 -16.454 -6.104 -11.041 927 HG13 VAL 118 3HG1 VAL 118 -14.894 -5.507 -11.610 928 HG21 VAL 118 3HG2 VAL 118 -13.670 -4.321 -8.358 929 HG22 VAL 118 1HG2 VAL 118 -14.507 -3.292 -9.524 930 HG23 VAL 118 2HG2 VAL 118 -13.318 -4.464 -10.085 931 H GLN 119 H GLN 119 -18.701 -4.695 -7.819 932 HA GLN 119 HA GLN 119 -19.791 -6.824 -9.338 933 HB2 GLN 119 2HB GLN 119 -21.052 -7.858 -7.432 934 HB3 GLN 119 1HB GLN 119 -19.320 -8.126 -7.378 935 HG2 GLN 119 2HG GLN 119 -19.084 -6.472 -5.630 936 HG3 GLN 119 1HG GLN 119 -20.800 -6.083 -5.742 937 HE21 GLN 119 1HE2 GLN 119 -19.567 -9.339 -6.000 938 HE22 GLN 119 2HE2 GLN 119 -20.233 -9.913 -4.518 939 H GLN 120 H GLN 120 -20.770 -5.335 -10.455 940 HA GLN 120 HA GLN 120 -22.481 -3.432 -9.108 941 HB2 GLN 120 2HB GLN 120 -20.860 -3.164 -11.253 942 HB3 GLN 120 1HB GLN 120 -22.342 -3.615 -12.078 943 HG2 GLN 120 2HG GLN 120 -22.100 -1.307 -10.162 944 HG3 GLN 120 1HG GLN 120 -21.937 -1.170 -11.905 945 HE21 GLN 120 1HE2 GLN 120 -23.813 -0.036 -9.996 946 HE22 GLN 120 2HE2 GLN 120 -25.399 -0.419 -10.559 947 H SER 121 H SER 121 -23.987 -4.822 -8.280 948 HA SER 121 HA SER 121 -25.389 -6.707 -9.946 949 HB2 SER 121 2HB SER 121 -25.844 -5.949 -7.054 950 HB3 SER 121 1HB SER 121 -26.420 -7.400 -7.876 951 HG SER 121 HG SER 121 -24.169 -7.928 -8.211 952 H MET 122 H MET 122 -25.804 -3.515 -8.677 953 HA MET 122 HA MET 122 -27.374 -1.920 -8.768 954 HB2 MET 122 2HB MET 122 -28.774 -3.694 -10.797 955 HB3 MET 122 1HB MET 122 -29.347 -2.097 -10.348 956 HG2 MET 122 2HG MET 122 -27.231 -1.146 -11.148 957 HG3 MET 122 1HG MET 122 -26.720 -2.755 -11.635 958 HE1 MET 122 3HE MET 122 -27.343 -0.986 -15.030 959 HE2 MET 122 1HE MET 122 -26.200 -1.874 -14.023 960 HE3 MET 122 2HE MET 122 -26.708 -0.248 -13.560 961 H LEU 123 H LEU 123 -29.393 -4.810 -9.045 962 HA LEU 123 HA LEU 123 -30.650 -3.950 -6.566 963 HB2 LEU 123 2HB LEU 123 -32.130 -4.701 -8.437 964 HB3 LEU 123 1HB LEU 123 -31.383 -6.286 -8.365 965 HG LEU 123 HG LEU 123 -32.246 -6.545 -6.056 966 HD11 LEU 123 1HD1 LEU 123 -33.696 -3.975 -6.633 967 HD12 LEU 123 2HD1 LEU 123 -32.428 -4.217 -5.430 968 HD13 LEU 123 3HD1 LEU 123 -33.979 -5.030 -5.248 969 HD21 LEU 123 3HD2 LEU 123 -34.335 -5.959 -8.146 970 HD22 LEU 123 1HD2 LEU 123 -34.583 -6.909 -6.683 971 HD23 LEU 123 2HD2 LEU 123 -33.479 -7.485 -7.934 972 H SER 124 H SER 124 -28.820 -4.271 -5.369 973 HA SER 124 HA SER 124 -27.394 -6.693 -5.243 974 HB2 SER 124 2HB SER 124 -27.467 -4.479 -3.192 975 HB3 SER 124 1HB SER 124 -26.132 -5.575 -3.557 976 HG SER 124 HG SER 124 -26.906 -3.258 -4.773
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