NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560894 | 2lrc | 18130 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 8.437 6.719 9.250 2 HA MET 1 HA MET 1 6.085 5.863 10.741 3 HB3 MET 1 1HB MET 1 6.996 4.328 8.269 4 HG3 MET 1 1HG MET 1 6.353 2.672 9.842 5 HE1 MET 1 3HE MET 1 2.343 4.780 10.889 6 HE2 MET 1 1HE MET 1 3.585 5.574 9.903 7 HE3 MET 1 2HE MET 1 2.736 4.141 9.281 8 H LYS 2 H LYS 2 6.549 4.416 12.347 9 HA LYS 2 HA LYS 2 9.355 4.283 13.075 10 HB3 LYS 2 1HB LYS 2 7.621 4.848 14.686 11 HG3 LYS 2 1HG LYS 2 6.696 1.946 14.478 12 HD3 LYS 2 1HD LYS 2 5.776 4.219 16.300 13 HE3 LYS 2 1HE LYS 2 4.905 1.295 16.052 14 HZ1 LYS 2 3HZ LYS 2 3.954 3.412 17.912 15 HZ2 LYS 2 1HZ LYS 2 4.847 2.121 18.353 16 HZ3 LYS 2 2HZ LYS 2 3.326 1.909 17.795 17 H THR 3 H THR 3 7.253 1.879 11.637 18 HA THR 3 HA THR 3 9.352 -0.220 12.023 19 HB THR 3 HB THR 3 7.451 -1.838 11.467 20 HG1 THR 3 HG1 THR 3 5.383 -0.860 12.184 21 HG21 THR 3 3HG2 THR 3 7.329 -0.250 14.058 22 HG22 THR 3 1HG2 THR 3 8.438 -1.593 13.684 23 HG23 THR 3 2HG2 THR 3 6.698 -1.891 13.799 24 H ARG 4 H ARG 4 9.695 -1.697 10.463 25 HA ARG 4 HA ARG 4 10.001 -0.479 7.792 26 HB3 ARG 4 1HB ARG 4 11.760 -2.259 7.579 27 HG3 ARG 4 1HG ARG 4 11.866 -0.527 10.108 28 HD3 ARG 4 1HD ARG 4 14.339 -0.849 9.919 29 HE ARG 4 HE ARG 4 12.618 -2.370 11.358 30 HH11 ARG 4 1HH1 ARG 4 15.597 -3.287 9.682 31 HH12 ARG 4 2HH1 ARG 4 15.910 -4.611 10.764 32 HH21 ARG 4 1HH2 ARG 4 13.086 -4.091 12.725 33 HH22 ARG 4 2HH2 ARG 4 14.514 -5.049 12.465 34 H TYR 5 H TYR 5 10.293 -2.473 6.093 35 HA TYR 5 HA TYR 5 7.670 -3.508 5.541 36 HB3 TYR 5 1HB TYR 5 9.233 -4.919 3.878 37 HD1 TYR 5 HD2 TYR 5 9.432 -1.136 4.080 38 HD2 TYR 5 HD1 TYR 5 7.652 -4.599 2.240 39 HE1 TYR 5 HE2 TYR 5 8.296 0.328 2.426 40 HE2 TYR 5 HE1 TYR 5 6.537 -3.119 0.554 41 HH TYR 5 HH TYR 5 7.059 0.405 0.492 42 H SER 6 H SER 6 6.980 -5.679 5.256 43 HA SER 6 HA SER 6 8.285 -7.680 7.063 44 HB3 SER 6 1HB SER 6 5.350 -7.079 6.604 45 HG SER 6 HG SER 6 6.646 -9.204 8.008 46 H ALA 7 H ALA 7 8.786 -9.560 6.218 47 HA ALA 7 HA ALA 7 8.048 -10.320 3.466 48 HB1 ALA 7 3HB ALA 7 10.349 -10.587 4.466 49 HB2 ALA 7 1HB ALA 7 9.677 -11.713 5.655 50 HB3 ALA 7 2HB ALA 7 9.651 -12.138 3.928 51 H GLU 8 H GLU 8 7.000 -10.930 6.709 52 HA GLU 8 HA GLU 8 5.915 -13.548 6.379 53 HB3 GLU 8 1HB GLU 8 5.267 -13.334 8.665 54 HG3 GLU 8 1HG GLU 8 7.863 -13.131 7.964 55 H ALA 9 H ALA 9 4.775 -11.466 4.604 56 HA ALA 9 HA ALA 9 2.177 -10.659 5.402 57 HB1 ALA 9 3HB ALA 9 3.433 -9.542 3.614 58 HB2 ALA 9 1HB ALA 9 3.385 -11.006 2.614 59 HB3 ALA 9 2HB ALA 9 1.883 -10.138 2.961 60 HA PRO 10 HA PRO 10 -0.470 -14.176 4.560 61 HB3 PRO 10 1HB PRO 10 -2.206 -12.873 5.373 62 HG3 PRO 10 1HG PRO 10 -2.408 -10.542 4.751 63 HD3 PRO 10 1HD PRO 10 -0.311 -10.922 5.787 64 H ALA 11 H ALA 11 -1.538 -15.346 2.891 65 HA ALA 11 HA ALA 11 -0.691 -14.840 0.114 66 HB1 ALA 11 3HB ALA 11 -0.784 -17.148 1.003 67 HB2 ALA 11 1HB ALA 11 -2.513 -16.957 1.353 68 HB3 ALA 11 2HB ALA 11 -1.941 -16.943 -0.326 69 H ARG 12 H ARG 12 -2.297 -14.614 -1.632 70 HA ARG 12 HA ARG 12 -3.918 -12.379 -1.172 71 HB3 ARG 12 1HB ARG 12 -3.972 -14.334 -3.500 72 HG3 ARG 12 1HG ARG 12 -5.899 -12.867 -3.713 73 HD3 ARG 12 1HD ARG 12 -3.974 -10.522 -3.545 74 HE ARG 12 HE ARG 12 -5.742 -9.557 -4.654 75 HH11 ARG 12 1HH1 ARG 12 -7.187 -11.628 -2.127 76 HH12 ARG 12 2HH1 ARG 12 -8.780 -10.992 -2.448 77 HH21 ARG 12 1HH2 ARG 12 -7.826 -8.862 -4.988 78 HH22 ARG 12 2HH2 ARG 12 -9.134 -9.497 -4.031 79 H ASP 13 H ASP 13 -4.858 -15.783 -1.077 80 HA ASP 13 HA ASP 13 -7.724 -15.227 -0.944 81 HB3 ASP 13 1HB ASP 13 -6.240 -17.771 -0.212 82 H GLU 14 H GLU 14 -5.120 -15.577 1.459 83 HA GLU 14 HA GLU 14 -6.930 -15.855 3.737 84 HB3 GLU 14 1HB GLU 14 -4.016 -15.024 3.711 85 HG3 GLU 14 1HG GLU 14 -5.199 -14.793 5.917 86 H LEU 15 H LEU 15 -5.128 -13.250 2.129 87 HA LEU 15 HA LEU 15 -5.854 -11.006 3.722 88 HB3 LEU 15 1HB LEU 15 -5.072 -11.490 0.822 89 HG LEU 15 HG LEU 15 -5.520 -8.774 2.106 90 HD11 LEU 15 1HD1 LEU 15 -3.161 -8.927 1.400 91 HD12 LEU 15 2HD1 LEU 15 -4.066 -7.888 0.291 92 HD13 LEU 15 3HD1 LEU 15 -3.669 -9.551 -0.189 93 HD21 LEU 15 3HD2 LEU 15 -7.361 -9.288 0.602 94 HD22 LEU 15 1HD2 LEU 15 -6.274 -10.068 -0.554 95 HD23 LEU 15 2HD2 LEU 15 -6.264 -8.321 -0.361 96 H ASP 16 H ASP 16 -7.689 -12.767 1.238 97 HA ASP 16 HA ASP 16 -9.609 -10.707 0.692 98 HB3 ASP 16 1HB ASP 16 -9.719 -13.724 0.326 99 H ARG 17 H ARG 17 -9.215 -12.789 3.374 100 HA ARG 17 HA ARG 17 -12.043 -12.799 4.201 101 HB3 ARG 17 1HB ARG 17 -11.238 -14.076 6.113 102 HG3 ARG 17 1HG ARG 17 -10.268 -16.025 5.087 103 HD3 ARG 17 1HD ARG 17 -12.633 -14.881 4.092 104 HE ARG 17 HE ARG 17 -12.145 -14.546 1.837 105 HH11 ARG 17 1HH1 ARG 17 -10.639 -17.602 2.781 106 HH12 ARG 17 2HH1 ARG 17 -10.134 -17.939 1.145 107 HH21 ARG 17 1HH2 ARG 17 -11.596 -15.116 -0.227 108 HH22 ARG 17 2HH2 ARG 17 -10.678 -16.589 -0.524 109 H LEU 18 H LEU 18 -9.378 -10.617 4.560 110 HA LEU 18 HA LEU 18 -10.169 -9.528 7.146 111 HB3 LEU 18 1HB LEU 18 -7.900 -9.315 6.036 112 HG LEU 18 HG LEU 18 -8.823 -8.043 3.911 113 HD11 LEU 18 1HD1 LEU 18 -8.521 -5.549 4.143 114 HD12 LEU 18 2HD1 LEU 18 -8.590 -5.753 5.911 115 HD13 LEU 18 3HD1 LEU 18 -9.991 -6.158 4.895 116 HD21 LEU 18 3HD2 LEU 18 -6.645 -6.902 3.706 117 HD22 LEU 18 1HD2 LEU 18 -6.420 -8.492 4.451 118 HD23 LEU 18 2HD2 LEU 18 -6.390 -7.024 5.453 119 H ALA 19 H ALA 19 -11.016 -7.302 7.478 120 HA ALA 19 HA ALA 19 -12.685 -6.215 5.293 121 HB1 ALA 19 3HB ALA 19 -13.933 -7.166 7.906 122 HB2 ALA 19 1HB ALA 19 -14.743 -6.208 6.651 123 HB3 ALA 19 2HB ALA 19 -14.185 -7.849 6.275 124 H GLY 20 H GLY 20 -12.194 -4.203 5.209 125 HA2 GLY 20 1HA GLY 20 -12.869 -2.073 6.647 126 HA3 GLY 20 2HA GLY 20 -11.417 -2.544 7.545 127 HA PRO 21 HA PRO 21 -10.394 0.008 3.633 128 HB3 PRO 21 1HB PRO 21 -11.350 1.980 4.234 129 HG3 PRO 21 1HG PRO 21 -11.749 2.535 6.517 130 HD3 PRO 21 1HD PRO 21 -12.697 0.394 6.278 131 H THR 22 H THR 22 -8.517 -1.003 3.164 132 HA THR 22 HA THR 22 -6.154 -0.794 5.005 133 HB THR 22 HB THR 22 -7.153 -3.355 3.684 134 HG1 THR 22 HG1 THR 22 -8.453 -2.811 5.396 135 HG21 THR 22 3HG2 THR 22 -4.874 -2.808 5.637 136 HG22 THR 22 1HG2 THR 22 -4.712 -3.363 3.949 137 HG23 THR 22 2HG2 THR 22 -5.451 -4.423 5.153 138 H LEU 23 H LEU 23 -4.584 0.133 3.893 139 HA LEU 23 HA LEU 23 -4.354 -0.224 0.982 140 HB3 LEU 23 1HB LEU 23 -2.687 1.373 2.967 141 HG LEU 23 HG LEU 23 -1.443 1.020 0.869 142 HD11 LEU 23 1HD1 LEU 23 -2.937 0.472 -0.783 143 HD12 LEU 23 2HD1 LEU 23 -2.621 2.150 -1.230 144 HD13 LEU 23 3HD1 LEU 23 -4.086 1.747 -0.334 145 HD21 LEU 23 3HD2 LEU 23 -1.145 3.350 0.229 146 HD22 LEU 23 1HD2 LEU 23 -1.295 3.185 1.980 147 HD23 LEU 23 2HD2 LEU 23 -2.679 3.781 1.019 148 H VAL 24 H VAL 24 -3.180 -1.839 0.123 149 HA VAL 24 HA VAL 24 -1.076 -3.168 1.802 150 HB VAL 24 HB VAL 24 -2.458 -4.277 -0.669 151 HG11 VAL 24 1HG1 VAL 24 -0.623 -5.575 1.406 152 HG12 VAL 24 2HG1 VAL 24 -1.435 -6.418 0.070 153 HG13 VAL 24 3HG1 VAL 24 -0.179 -5.211 -0.263 154 HG21 VAL 24 3HG2 VAL 24 -3.624 -5.788 0.956 155 HG22 VAL 24 1HG2 VAL 24 -2.974 -4.816 2.286 156 HG23 VAL 24 2HG2 VAL 24 -4.110 -4.100 1.124 157 H GLU 25 H GLU 25 0.887 -2.576 1.395 158 HA GLU 25 HA GLU 25 1.624 -1.297 -1.174 159 HB3 GLU 25 1HB GLU 25 2.826 -1.110 1.618 160 HG3 GLU 25 1HG GLU 25 3.247 0.769 -0.728 161 H PHE 26 H PHE 26 3.026 -2.222 -2.511 162 HA PHE 26 HA PHE 26 4.640 -4.546 -1.591 163 HB3 PHE 26 1HB PHE 26 4.664 -5.298 -3.822 164 HD1 PHE 26 HD1 PHE 26 2.744 -6.290 -2.083 165 HD2 PHE 26 HD2 PHE 26 2.100 -3.478 -5.292 166 HE1 PHE 26 HE1 PHE 26 0.324 -6.838 -2.090 167 HE2 PHE 26 HE2 PHE 26 -0.298 -4.078 -5.331 168 HZ PHE 26 HZ PHE 26 -1.206 -5.679 -3.667 169 H GLY 27 H GLY 27 6.792 -4.481 -1.642 170 HA2 GLY 27 1HA GLY 27 8.581 -3.075 -3.196 171 HA3 GLY 27 2HA GLY 27 8.162 -1.932 -1.939 172 H THR 28 H THR 28 10.252 -1.981 -1.052 173 HA THR 28 HA THR 28 10.564 -3.987 1.050 174 HB THR 28 HB THR 28 12.964 -4.296 0.726 175 HG1 THR 28 HG1 THR 28 13.834 -3.595 -1.341 176 HG21 THR 28 3HG2 THR 28 11.625 -5.037 -1.893 177 HG22 THR 28 1HG2 THR 28 11.403 -5.920 -0.379 178 HG23 THR 28 2HG2 THR 28 13.008 -5.816 -1.104 179 H ASP 29 H ASP 29 12.582 -3.135 2.507 180 HA ASP 29 HA ASP 29 11.938 -0.293 3.032 181 HB3 ASP 29 1HB ASP 29 13.799 -2.141 4.556 182 H TRP 30 H TRP 30 14.018 -1.834 0.968 183 HA TRP 30 HA TRP 30 16.279 0.088 1.360 184 HB3 TRP 30 1HB TRP 30 16.885 -1.977 2.297 185 HD1 TRP 30 HD TRP 30 15.445 -4.083 2.683 186 HE1 TRP 30 HE1 TRP 30 14.892 -6.185 1.345 187 HE3 TRP 30 HE3 TRP 30 17.362 -2.659 -1.852 188 HZ2 TRP 30 HZ2 TRP 30 15.133 -7.096 -1.410 189 HZ3 TRP 30 HZ3 TRP 30 17.211 -4.164 -3.807 190 HH2 TRP 30 HH TRP 30 16.092 -6.380 -3.600 191 H CYS 31 H CYS 31 14.071 -1.064 -1.086 192 HA CYS 31 HA CYS 31 15.838 -0.558 -3.338 193 HB2 CYS 31 1HB CYS 31 13.851 -2.007 -3.546 194 HB3 CYS 31 2HB CYS 31 12.811 -0.625 -3.193 195 H GLY 32 H GLY 32 15.979 1.245 -4.643 196 HA2 GLY 32 1HA GLY 32 15.791 3.871 -3.476 197 HA3 GLY 32 2HA GLY 32 16.179 3.494 -5.154 198 H HIS 33 H HIS 33 13.505 1.994 -5.448 199 HA HIS 33 HA HIS 33 11.701 4.173 -6.087 200 HB2 HIS 33 1HB HIS 33 11.158 1.228 -5.435 201 HB3 HIS 33 2HB HIS 33 10.015 2.353 -6.133 202 HD1 HIS 33 HD1 HIS 33 12.338 -0.254 -7.160 203 HD2 HIS 33 HD2 HIS 33 10.799 3.336 -8.700 204 HE1 HIS 33 HE1 HIS 33 12.312 -0.522 -9.715 205 H CYS 34 H CYS 34 11.923 1.892 -3.353 206 HA CYS 34 HA CYS 34 9.712 2.987 -1.888 207 HB3 CYS 34 1HB CYS 34 11.099 1.720 0.017 208 HG CYS 34 HG CYS 34 9.746 -0.333 -0.341 209 H GLN 35 H GLN 35 13.168 3.829 -1.851 210 HA GLN 35 HA GLN 35 12.988 5.347 0.571 211 HB3 GLN 35 1HB GLN 35 15.061 6.448 -0.099 212 HG3 GLN 35 1HG GLN 35 16.550 4.665 -0.475 213 HE21 GLN 35 2HE2 GLN 35 14.377 2.092 -0.230 214 HE22 GLN 35 1HE2 GLN 35 14.399 1.969 1.537 215 H ALA 36 H ALA 36 11.890 6.038 -2.584 216 HA ALA 36 HA ALA 36 11.358 8.917 -2.086 217 HB1 ALA 36 3HB ALA 36 10.865 7.122 -4.506 218 HB2 ALA 36 1HB ALA 36 10.598 8.876 -4.446 219 HB3 ALA 36 2HB ALA 36 12.239 8.217 -4.281 220 H ALA 37 H ALA 37 9.535 5.827 -2.451 221 HA ALA 37 HA ALA 37 6.968 7.217 -2.298 222 HB1 ALA 37 3HB ALA 37 5.994 5.006 -2.541 223 HB2 ALA 37 1HB ALA 37 7.279 5.246 -3.744 224 HB3 ALA 37 2HB ALA 37 7.593 4.238 -2.309 225 H GLN 38 H GLN 38 9.024 5.477 0.001 226 HA GLN 38 HA GLN 38 7.065 5.043 2.044 227 HB3 GLN 38 1HB GLN 38 9.154 5.147 3.548 228 HG3 GLN 38 1HG GLN 38 9.095 3.159 1.226 229 HE21 GLN 38 2HE2 GLN 38 9.315 2.124 4.566 230 HE22 GLN 38 1HE2 GLN 38 11.004 1.649 4.507 231 HA PRO 39 HA PRO 39 8.064 9.293 3.978 232 HB3 PRO 39 1HB PRO 39 10.201 10.053 3.582 233 HG3 PRO 39 1HG PRO 39 11.255 9.718 1.464 234 HD3 PRO 39 1HD PRO 39 10.585 7.605 2.270 235 H LEU 40 H LEU 40 7.144 8.786 0.644 236 HA LEU 40 HA LEU 40 5.432 11.126 0.339 237 HB3 LEU 40 1HB LEU 40 4.638 8.625 -1.080 238 HG LEU 40 HG LEU 40 4.697 9.769 -3.039 239 HD11 LEU 40 1HD1 LEU 40 4.056 12.119 -1.254 240 HD12 LEU 40 2HD1 LEU 40 3.015 10.683 -1.285 241 HD13 LEU 40 3HD1 LEU 40 3.295 11.592 -2.775 242 HD21 LEU 40 3HD2 LEU 40 6.452 11.924 -1.839 243 HD22 LEU 40 1HD2 LEU 40 5.801 11.905 -3.492 244 HD23 LEU 40 2HD2 LEU 40 6.946 10.649 -2.987 245 H LEU 41 H LEU 41 4.850 7.665 1.100 246 HA LEU 41 HA LEU 41 2.104 7.900 1.815 247 HB3 LEU 41 1HB LEU 41 2.744 5.827 3.318 248 HG LEU 41 HG LEU 41 2.449 4.265 1.622 249 HD11 LEU 41 1HD1 LEU 41 0.505 4.976 0.414 250 HD12 LEU 41 2HD1 LEU 41 0.892 6.684 0.662 251 HD13 LEU 41 3HD1 LEU 41 0.466 5.658 2.053 252 HD21 LEU 41 3HD2 LEU 41 2.671 4.797 -0.804 253 HD22 LEU 41 1HD2 LEU 41 4.188 4.821 0.113 254 HD23 LEU 41 2HD2 LEU 41 3.432 6.339 -0.345 255 H ALA 42 H ALA 42 5.060 8.028 3.838 256 HA ALA 42 HA ALA 42 3.826 8.474 6.325 257 HB1 ALA 42 3HB ALA 42 6.416 9.726 5.325 258 HB2 ALA 42 1HB ALA 42 5.964 9.406 7.010 259 HB3 ALA 42 2HB ALA 42 6.254 8.047 5.897 260 H GLU 43 H GLU 43 4.433 10.932 3.812 261 HA GLU 43 HA GLU 43 3.562 13.174 5.440 262 HB3 GLU 43 1HB GLU 43 3.335 14.301 3.123 263 HG3 GLU 43 1HG GLU 43 5.878 14.147 2.736 264 H VAL 44 H VAL 44 1.884 11.204 2.901 265 HA VAL 44 HA VAL 44 -0.593 12.661 3.191 266 HB VAL 44 HB VAL 44 -0.278 11.615 1.154 267 HG11 VAL 44 1HG1 VAL 44 1.188 9.787 1.736 268 HG12 VAL 44 2HG1 VAL 44 -0.192 8.855 2.388 269 HG13 VAL 44 3HG1 VAL 44 -0.104 9.329 0.675 270 HG21 VAL 44 3HG2 VAL 44 -2.371 9.933 2.572 271 HG22 VAL 44 1HG2 VAL 44 -2.620 11.594 2.025 272 HG23 VAL 44 2HG2 VAL 44 -2.293 10.311 0.841 273 H PHE 45 H PHE 45 0.450 9.523 4.538 274 HA PHE 45 HA PHE 45 -1.963 8.746 5.738 275 HB3 PHE 45 1HB PHE 45 0.409 7.864 7.260 276 HD1 PHE 45 HD2 PHE 45 -2.055 6.951 8.032 277 HD2 PHE 45 HD1 PHE 45 0.119 5.739 4.516 278 HE1 PHE 45 HE2 PHE 45 -3.322 4.870 7.967 279 HE2 PHE 45 HE1 PHE 45 -1.173 3.631 4.429 280 HZ PHE 45 HZ PHE 45 -2.918 3.184 6.157 281 H SER 46 H SER 46 0.342 11.091 6.949 282 HA SER 46 HA SER 46 -0.327 11.063 9.733 283 HB3 SER 46 1HB SER 46 0.497 13.412 9.707 284 HG SER 46 HG SER 46 2.229 11.720 8.181 285 H ASP 47 H ASP 47 -2.257 12.139 7.033 286 HA ASP 47 HA ASP 47 -4.154 13.589 8.822 287 HB3 ASP 47 1HB ASP 47 -4.235 13.401 5.804 288 H TYR 48 H TYR 48 -3.698 10.478 7.619 289 HA TYR 48 HA TYR 48 -6.605 9.810 7.851 290 HB3 TYR 48 1HB TYR 48 -6.508 8.339 5.954 291 HD1 TYR 48 HD1 TYR 48 -8.092 10.291 5.558 292 HD2 TYR 48 HD2 TYR 48 -3.938 10.380 4.477 293 HE1 TYR 48 HE1 TYR 48 -8.557 12.186 4.007 294 HE2 TYR 48 HE2 TYR 48 -4.352 12.372 3.047 295 HH TYR 48 HH TYR 48 -5.890 13.836 2.225 296 HA PRO 49 HA PRO 49 -3.525 6.914 10.160 297 HB3 PRO 49 1HB PRO 49 -2.992 8.336 11.879 298 HG3 PRO 49 1HG PRO 49 -4.529 10.047 12.601 299 HD3 PRO 49 1HD PRO 49 -4.120 10.292 10.267 300 H GLU 50 H GLU 50 -7.017 7.303 10.159 301 HA GLU 50 HA GLU 50 -7.599 4.789 11.487 302 HB3 GLU 50 1HB GLU 50 -9.226 6.544 11.512 303 HG3 GLU 50 1HG GLU 50 -10.656 6.554 9.305 304 H VAL 51 H VAL 51 -6.363 5.466 8.330 305 HA VAL 51 HA VAL 51 -7.494 3.061 7.036 306 HB VAL 51 HB VAL 51 -5.199 4.880 6.190 307 HG11 VAL 51 1HG1 VAL 51 -4.961 2.732 5.066 308 HG12 VAL 51 2HG1 VAL 51 -6.683 2.721 4.625 309 HG13 VAL 51 3HG1 VAL 51 -5.565 3.909 3.913 310 HG21 VAL 51 3HG2 VAL 51 -8.095 4.787 5.246 311 HG22 VAL 51 1HG2 VAL 51 -7.372 6.069 6.236 312 HG23 VAL 51 2HG2 VAL 51 -6.822 5.821 4.576 313 H GLY 52 H GLY 52 -6.431 1.046 6.804 314 HA2 GLY 52 1HA GLY 52 -4.192 0.418 8.646 315 HA3 GLY 52 2HA GLY 52 -5.097 -0.732 7.626 316 H HIS 53 H HIS 53 -2.119 -0.353 7.944 317 HA HIS 53 HA HIS 53 -1.600 -0.223 5.017 318 HB2 HIS 53 1HB HIS 53 -0.816 1.888 6.364 319 HB3 HIS 53 2HB HIS 53 0.459 0.852 6.948 320 HD1 HIS 53 HD1 HIS 53 2.318 2.310 5.583 321 HD2 HIS 53 HD2 HIS 53 -0.721 0.597 3.242 322 HE1 HIS 53 HE1 HIS 53 3.013 2.579 3.113 323 H LEU 54 H LEU 54 -0.636 -1.995 4.264 324 HA LEU 54 HA LEU 54 0.898 -3.786 6.114 325 HB3 LEU 54 1HB LEU 54 -0.969 -4.377 3.783 326 HG LEU 54 HG LEU 54 0.799 -6.088 3.760 327 HD11 LEU 54 1HD1 LEU 54 1.665 -5.963 6.041 328 HD12 LEU 54 2HD1 LEU 54 1.119 -7.609 5.711 329 HD13 LEU 54 3HD1 LEU 54 0.111 -6.532 6.699 330 HD21 LEU 54 3HD2 LEU 54 -1.773 -7.108 5.027 331 HD22 LEU 54 1HD2 LEU 54 -0.642 -8.039 4.016 332 HD23 LEU 54 2HD2 LEU 54 -1.571 -6.710 3.310 333 H LYS 55 H LYS 55 3.001 -3.446 5.716 334 HA LYS 55 HA LYS 55 4.024 -2.710 3.045 335 HB3 LYS 55 1HB LYS 55 6.179 -2.643 4.259 336 HG3 LYS 55 1HG LYS 55 4.297 -0.733 4.268 337 HD3 LYS 55 1HD LYS 55 3.454 -1.138 6.530 338 HE3 LYS 55 1HE LYS 55 6.356 -0.592 7.375 339 HZ1 LYS 55 3HZ LYS 55 3.975 -0.966 9.107 340 HZ2 LYS 55 1HZ LYS 55 4.721 0.471 8.846 341 HZ3 LYS 55 2HZ LYS 55 5.509 -0.717 9.622 342 H VAL 56 H VAL 56 3.912 -4.532 1.680 343 HA VAL 56 HA VAL 56 4.875 -7.160 2.693 344 HB VAL 56 HB VAL 56 3.570 -6.449 0.029 345 HG11 VAL 56 1HG1 VAL 56 4.905 -8.470 -0.246 346 HG12 VAL 56 2HG1 VAL 56 4.309 -9.130 1.287 347 HG13 VAL 56 3HG1 VAL 56 3.218 -8.950 -0.094 348 HG21 VAL 56 3HG2 VAL 56 1.972 -6.104 1.770 349 HG22 VAL 56 1HG2 VAL 56 1.614 -7.690 1.092 350 HG23 VAL 56 2HG2 VAL 56 2.471 -7.567 2.642 351 H GLU 57 H GLU 57 6.833 -7.682 2.595 352 HA GLU 57 HA GLU 57 8.741 -6.286 0.948 353 HB3 GLU 57 1HB GLU 57 9.496 -8.652 2.658 354 HG3 GLU 57 1HG GLU 57 10.608 -5.869 2.173 355 H ASP 58 H ASP 58 8.469 -6.731 -1.158 356 HA ASP 58 HA ASP 58 7.619 -9.272 -2.137 357 HB3 ASP 58 1HB ASP 58 8.644 -6.827 -3.620 358 H GLY 59 H GLY 59 10.742 -8.371 -1.377 359 HA2 GLY 59 1HA GLY 59 12.189 -9.970 -3.400 360 HA3 GLY 59 2HA GLY 59 12.894 -9.178 -1.981 361 HA PRO 60 HA PRO 60 12.871 -13.079 0.039 362 HB3 PRO 60 1HB PRO 60 14.054 -11.909 1.673 363 HG3 PRO 60 1HG PRO 60 13.203 -9.881 2.603 364 HD3 PRO 60 1HD PRO 60 13.350 -9.494 0.289 365 H GLY 61 H GLY 61 9.900 -11.240 0.537 366 HA2 GLY 61 1HA GLY 61 8.517 -13.424 1.986 367 HA3 GLY 61 2HA GLY 61 7.949 -11.772 1.684 368 H ARG 62 H ARG 62 5.963 -13.012 1.331 369 HA ARG 62 HA ARG 62 5.534 -14.607 -1.008 370 HB3 ARG 62 1HB ARG 62 3.095 -13.468 -0.607 371 HG3 ARG 62 1HG ARG 62 3.580 -15.857 -0.433 372 HD3 ARG 62 1HD ARG 62 5.480 -15.717 1.277 373 HE ARG 62 HE ARG 62 3.412 -14.688 2.978 374 HH11 ARG 62 1HH1 ARG 62 6.003 -17.097 3.186 375 HH12 ARG 62 2HH1 ARG 62 5.967 -17.091 4.928 376 HH21 ARG 62 1HH2 ARG 62 3.402 -14.737 5.134 377 HH22 ARG 62 2HH2 ARG 62 4.464 -15.796 6.043 378 H ARG 63 H ARG 63 5.113 -14.152 -3.067 379 HA ARG 63 HA ARG 63 5.690 -11.500 -4.126 380 HB3 ARG 63 1HB ARG 63 5.507 -12.602 -6.327 381 HG3 ARG 63 1HG ARG 63 7.280 -14.224 -6.182 382 HD3 ARG 63 1HD ARG 63 9.033 -13.092 -4.949 383 HE ARG 63 HE ARG 63 7.614 -10.629 -5.391 384 HH11 ARG 63 1HH1 ARG 63 8.935 -13.296 -7.321 385 HH12 ARG 63 2HH1 ARG 63 9.315 -12.242 -8.651 386 HH21 ARG 63 1HH2 ARG 63 8.231 -9.354 -7.010 387 HH22 ARG 63 2HH2 ARG 63 8.850 -10.015 -8.509 388 H LEU 64 H LEU 64 3.573 -10.947 -2.696 389 HA LEU 64 HA LEU 64 1.011 -11.615 -3.622 390 HB3 LEU 64 1HB LEU 64 1.860 -9.133 -2.082 391 HG LEU 64 HG LEU 64 -0.539 -9.151 -2.582 392 HD11 LEU 64 1HD1 LEU 64 -2.011 -10.927 -1.561 393 HD12 LEU 64 2HD1 LEU 64 -0.556 -11.892 -1.245 394 HD13 LEU 64 3HD1 LEU 64 -1.047 -11.511 -2.917 395 HD21 LEU 64 3HD2 LEU 64 0.092 -9.887 0.309 396 HD22 LEU 64 1HD2 LEU 64 -1.350 -9.018 -0.260 397 HD23 LEU 64 2HD2 LEU 64 0.242 -8.279 -0.440 398 H GLY 65 H GLY 65 2.999 -8.839 -4.632 399 HA2 GLY 65 1HA GLY 65 1.036 -7.410 -6.095 400 HA3 GLY 65 2HA GLY 65 2.779 -7.351 -6.391 401 H ARG 66 H ARG 66 2.666 -10.388 -7.013 402 HA ARG 66 HA ARG 66 2.146 -10.370 -9.841 403 HB3 ARG 66 1HB ARG 66 2.191 -12.673 -7.849 404 HG3 ARG 66 1HG ARG 66 3.026 -12.814 -10.761 405 HD3 ARG 66 1HD ARG 66 3.718 -14.620 -9.129 406 HE ARG 66 HE ARG 66 0.887 -14.583 -8.477 407 HH11 ARG 66 1HH1 ARG 66 3.594 -16.837 -8.663 408 HH12 ARG 66 2HH1 ARG 66 2.931 -17.873 -7.436 409 HH21 ARG 66 1HH2 ARG 66 0.082 -15.910 -6.934 410 HH22 ARG 66 2HH2 ARG 66 0.932 -17.364 -6.478 411 H SER 67 H SER 67 0.208 -11.498 -7.010 412 HA SER 67 HA SER 67 -2.034 -12.350 -8.672 413 HB3 SER 67 1HB SER 67 -2.984 -13.070 -6.539 414 HG SER 67 HG SER 67 -1.208 -14.327 -5.734 415 H PHE 68 H PHE 68 -1.131 -9.347 -7.284 416 HA PHE 68 HA PHE 68 -3.843 -8.221 -7.713 417 HB3 PHE 68 1HB PHE 68 -2.472 -6.040 -7.252 418 HD1 PHE 68 HD2 PHE 68 -4.620 -5.864 -6.114 419 HD2 PHE 68 HD1 PHE 68 -1.450 -8.337 -4.608 420 HE1 PHE 68 HE2 PHE 68 -5.761 -5.954 -3.911 421 HE2 PHE 68 HE1 PHE 68 -2.571 -8.448 -2.394 422 HZ PHE 68 HZ PHE 68 -4.740 -7.261 -2.036 423 H GLN 69 H GLN 69 -1.239 -9.141 -9.655 424 HA GLN 69 HA GLN 69 -0.448 -8.604 -11.701 425 HB3 GLN 69 1HB GLN 69 -2.145 -7.967 -13.371 426 HG3 GLN 69 1HG GLN 69 -1.865 -10.326 -12.532 427 HE21 GLN 69 2HE2 GLN 69 -4.630 -8.700 -10.822 428 HE22 GLN 69 1HE2 GLN 69 -4.871 -10.103 -9.783 429 H VAL 70 H VAL 70 0.519 -6.947 -9.965 430 HA VAL 70 HA VAL 70 0.120 -4.149 -10.273 431 HB VAL 70 HB VAL 70 2.410 -5.850 -9.263 432 HG11 VAL 70 1HG1 VAL 70 3.552 -3.853 -9.989 433 HG12 VAL 70 2HG1 VAL 70 2.286 -2.818 -9.299 434 HG13 VAL 70 3HG1 VAL 70 3.365 -3.755 -8.242 435 HG21 VAL 70 3HG2 VAL 70 0.232 -5.689 -7.956 436 HG22 VAL 70 1HG2 VAL 70 1.660 -5.106 -7.098 437 HG23 VAL 70 2HG2 VAL 70 0.518 -3.945 -7.811 438 H LYS 71 H LYS 71 0.944 -2.604 -11.571 439 HA LYS 71 HA LYS 71 2.154 -3.451 -14.121 440 HB3 LYS 71 1HB LYS 71 1.839 -0.773 -14.386 441 HG3 LYS 71 1HG LYS 71 0.797 -2.394 -15.825 442 HD3 LYS 71 1HD LYS 71 -0.212 -3.974 -14.231 443 HE3 LYS 71 1HE LYS 71 -1.159 -2.179 -12.689 444 HZ1 LYS 71 3HZ LYS 71 -2.397 -0.890 -14.366 445 HZ2 LYS 71 1HZ LYS 71 -3.438 -1.491 -13.258 446 HZ3 LYS 71 2HZ LYS 71 -3.340 -2.183 -14.723 447 H LEU 72 H LEU 72 3.018 -0.804 -11.832 448 HA LEU 72 HA LEU 72 5.898 -1.332 -12.454 449 HB3 LEU 72 1HB LEU 72 4.875 1.199 -11.149 450 HG LEU 72 HG LEU 72 7.410 0.576 -11.286 451 HD11 LEU 72 1HD1 LEU 72 8.513 1.143 -13.418 452 HD12 LEU 72 2HD1 LEU 72 6.931 1.346 -14.199 453 HD13 LEU 72 3HD1 LEU 72 7.445 -0.250 -13.616 454 HD21 LEU 72 3HD2 LEU 72 6.628 2.807 -10.720 455 HD22 LEU 72 1HD2 LEU 72 6.366 3.181 -12.443 456 HD23 LEU 72 2HD2 LEU 72 8.014 2.922 -11.832 457 H TRP 73 H TRP 73 7.278 -1.708 -10.738 458 HA TRP 73 HA TRP 73 6.255 -3.297 -8.733 459 HB3 TRP 73 1HB TRP 73 8.868 -1.830 -8.700 460 HD1 TRP 73 HD TRP 73 7.989 -5.565 -8.312 461 HE1 TRP 73 HE1 TRP 73 9.016 -6.433 -6.140 462 HE3 TRP 73 HE3 TRP 73 9.736 -1.140 -6.468 463 HZ2 TRP 73 HZ2 TRP 73 10.764 -5.370 -4.036 464 HZ3 TRP 73 HZ3 TRP 73 11.037 -1.083 -4.365 465 HH2 TRP 73 HH TRP 73 11.629 -3.180 -3.196 466 HA PRO 74 HA PRO 74 6.374 -0.000 -5.358 467 HB3 PRO 74 1HB PRO 74 8.023 1.563 -5.638 468 HG3 PRO 74 1HG PRO 74 8.446 2.549 -7.811 469 HD3 PRO 74 1HD PRO 74 8.649 0.235 -8.088 470 H THR 75 H THR 75 4.267 -0.775 -5.492 471 HA THR 75 HA THR 75 2.152 1.165 -6.297 472 HB THR 75 HB THR 75 2.398 -1.767 -7.064 473 HG1 THR 75 HG1 THR 75 3.077 -0.545 -8.683 474 HG21 THR 75 3HG2 THR 75 0.101 -1.559 -8.061 475 HG22 THR 75 1HG2 THR 75 -0.124 -0.052 -7.143 476 HG23 THR 75 2HG2 THR 75 0.086 -1.606 -6.295 477 H PHE 76 H PHE 76 0.411 1.156 -5.035 478 HA PHE 76 HA PHE 76 0.164 -0.861 -2.912 479 HB3 PHE 76 1HB PHE 76 1.044 0.717 -1.482 480 HD1 PHE 76 HD2 PHE 76 2.777 1.777 -2.891 481 HD2 PHE 76 HD1 PHE 76 -1.140 3.436 -2.243 482 HE1 PHE 76 HE2 PHE 76 3.582 3.970 -3.719 483 HE2 PHE 76 HE1 PHE 76 -0.325 5.623 -2.959 484 HZ PHE 76 HZ PHE 76 2.021 5.892 -3.789 485 H VAL 77 H VAL 77 -1.758 -1.642 -2.724 486 HA VAL 77 HA VAL 77 -3.959 -0.596 -4.439 487 HB VAL 77 HB VAL 77 -3.583 -3.377 -3.319 488 HG11 VAL 77 1HG1 VAL 77 -5.575 -2.235 -5.345 489 HG12 VAL 77 2HG1 VAL 77 -5.422 -3.936 -4.930 490 HG13 VAL 77 3HG1 VAL 77 -5.971 -2.779 -3.705 491 HG21 VAL 77 3HG2 VAL 77 -2.969 -4.033 -5.591 492 HG22 VAL 77 1HG2 VAL 77 -3.265 -2.396 -6.186 493 HG23 VAL 77 2HG2 VAL 77 -1.911 -2.701 -5.108 494 H PHE 78 H PHE 78 -5.654 0.337 -3.531 495 HA PHE 78 HA PHE 78 -5.957 0.371 -0.586 496 HB3 PHE 78 1HB PHE 78 -7.754 2.020 -1.084 497 HD1 PHE 78 HD2 PHE 78 -5.040 2.495 -3.616 498 HD2 PHE 78 HD1 PHE 78 -6.566 3.646 0.247 499 HE1 PHE 78 HE2 PHE 78 -3.219 4.146 -3.393 500 HE2 PHE 78 HE1 PHE 78 -4.781 5.394 0.396 501 HZ PHE 78 HZ PHE 78 -3.138 5.629 -1.445 502 H LEU 79 H LEU 79 -7.048 -1.225 0.305 503 HA LEU 79 HA LEU 79 -9.217 -2.573 -1.187 504 HB3 LEU 79 1HB LEU 79 -9.117 -4.345 0.414 505 HG LEU 79 HG LEU 79 -6.247 -3.642 -0.047 506 HD11 LEU 79 1HD1 LEU 79 -5.917 -6.080 0.088 507 HD12 LEU 79 2HD1 LEU 79 -7.667 -6.307 0.272 508 HD13 LEU 79 3HD1 LEU 79 -6.724 -5.475 1.545 509 HD21 LEU 79 3HD2 LEU 79 -6.236 -4.942 -2.075 510 HD22 LEU 79 1HD2 LEU 79 -7.381 -3.615 -2.249 511 HD23 LEU 79 2HD2 LEU 79 -7.969 -5.270 -1.939 512 H ARG 80 H ARG 80 -11.044 -3.079 -0.053 513 HA ARG 80 HA ARG 80 -11.765 -2.024 2.544 514 HB3 ARG 80 1HB ARG 80 -13.479 -1.131 0.202 515 HG3 ARG 80 1HG ARG 80 -13.341 -0.233 3.123 516 HD3 ARG 80 1HD ARG 80 -15.549 0.957 2.109 517 HE ARG 80 HE ARG 80 -13.145 2.519 1.499 518 HH11 ARG 80 1HH1 ARG 80 -15.259 1.483 4.144 519 HH12 ARG 80 2HH1 ARG 80 -14.898 2.893 5.096 520 HH21 ARG 80 1HH2 ARG 80 -12.725 4.280 2.760 521 HH22 ARG 80 2HH2 ARG 80 -13.475 4.452 4.327 522 H ASP 81 H ASP 81 -13.394 -3.379 3.428 523 HA ASP 81 HA ASP 81 -14.317 -5.449 3.774 524 HB3 ASP 81 1HB ASP 81 -15.029 -5.413 0.805 525 H GLY 82 H GLY 82 -11.438 -5.209 2.640 526 HA2 GLY 82 1HA GLY 82 -9.682 -6.679 2.250 527 HA3 GLY 82 2HA GLY 82 -10.830 -8.044 2.328 528 H ARG 83 H ARG 83 -11.577 -5.524 0.046 529 HA ARG 83 HA ARG 83 -10.345 -7.018 -2.228 530 HB3 ARG 83 1HB ARG 83 -12.503 -6.597 -3.487 531 HG3 ARG 83 1HG ARG 83 -11.795 -8.832 -2.231 532 HD3 ARG 83 1HD ARG 83 -14.531 -8.178 -1.069 533 HE ARG 83 HE ARG 83 -12.836 -10.593 -1.107 534 HH11 ARG 83 1HH1 ARG 83 -15.560 -9.054 0.646 535 HH12 ARG 83 2HH1 ARG 83 -16.140 -10.591 1.186 536 HH21 ARG 83 1HH2 ARG 83 -13.603 -12.471 -0.242 537 HH22 ARG 83 2HH2 ARG 83 -15.069 -12.497 0.705 538 H GLU 84 H GLU 84 -9.945 -5.786 -4.027 539 HA GLU 84 HA GLU 84 -9.024 -3.179 -3.506 540 HB3 GLU 84 1HB GLU 84 -9.397 -4.679 -6.109 541 HG3 GLU 84 1HG GLU 84 -8.064 -2.002 -5.622 542 H VAL 85 H VAL 85 -9.862 -1.284 -3.424 543 HA VAL 85 HA VAL 85 -12.348 -0.577 -4.961 544 HB VAL 85 HB VAL 85 -12.420 1.448 -3.503 545 HG11 VAL 85 1HG1 VAL 85 -12.625 -1.211 -2.050 546 HG12 VAL 85 2HG1 VAL 85 -13.466 0.298 -1.647 547 HG13 VAL 85 3HG1 VAL 85 -13.847 -0.527 -3.166 548 HG21 VAL 85 3HG2 VAL 85 -10.020 1.350 -2.623 549 HG22 VAL 85 1HG2 VAL 85 -11.277 1.507 -1.362 550 HG23 VAL 85 2HG2 VAL 85 -10.513 -0.047 -1.652 551 H ALA 86 H ALA 86 -8.930 -0.002 -4.692 552 HA ALA 86 HA ALA 86 -8.701 1.411 -7.171 553 HB1 ALA 86 3HB ALA 86 -8.324 2.956 -4.557 554 HB2 ALA 86 1HB ALA 86 -7.837 3.560 -6.147 555 HB3 ALA 86 2HB ALA 86 -9.547 3.309 -5.810 556 H ARG 87 H ARG 87 -6.366 2.281 -7.322 557 HA ARG 87 HA ARG 87 -4.503 1.476 -5.282 558 HB3 ARG 87 1HB ARG 87 -4.635 -0.600 -6.559 559 HG3 ARG 87 1HG ARG 87 -3.432 1.048 -8.843 560 HD3 ARG 87 1HD ARG 87 -2.468 -1.222 -8.254 561 HE ARG 87 HE ARG 87 -5.183 -2.092 -8.496 562 HH11 ARG 87 1HH1 ARG 87 -2.011 -3.135 -9.745 563 HH12 ARG 87 2HH1 ARG 87 -2.576 -4.774 -9.941 564 HH21 ARG 87 1HH2 ARG 87 -5.741 -4.239 -8.675 565 HH22 ARG 87 2HH2 ARG 87 -4.581 -5.377 -9.347 566 H VAL 88 H VAL 88 -2.423 2.413 -5.544 567 HA VAL 88 HA VAL 88 -2.256 4.615 -7.614 568 HB VAL 88 HB VAL 88 -1.317 4.589 -4.762 569 HG11 VAL 88 1HG1 VAL 88 -0.577 6.607 -6.940 570 HG12 VAL 88 2HG1 VAL 88 -0.278 6.843 -5.213 571 HG13 VAL 88 3HG1 VAL 88 0.550 5.543 -6.089 572 HG21 VAL 88 3HG2 VAL 88 -2.600 6.552 -4.387 573 HG22 VAL 88 1HG2 VAL 88 -2.959 6.725 -6.131 574 HG23 VAL 88 2HG2 VAL 88 -3.660 5.391 -5.204 575 H VAL 89 H VAL 89 -0.714 4.308 -8.997 576 HA VAL 89 HA VAL 89 1.618 2.502 -8.426 577 HB VAL 89 HB VAL 89 0.373 3.215 -11.116 578 HG11 VAL 89 1HG1 VAL 89 1.831 1.447 -12.049 579 HG12 VAL 89 2HG1 VAL 89 2.759 2.769 -11.347 580 HG13 VAL 89 3HG1 VAL 89 2.590 1.239 -10.463 581 HG21 VAL 89 3HG2 VAL 89 -0.402 0.879 -11.281 582 HG22 VAL 89 1HG2 VAL 89 0.118 0.568 -9.618 583 HG23 VAL 89 2HG2 VAL 89 -1.177 1.734 -9.946 584 H ARG 90 H ARG 90 3.531 3.550 -8.348 585 HA ARG 90 HA ARG 90 5.118 5.159 -8.397 586 HB3 ARG 90 1HB ARG 90 4.038 5.947 -11.118 587 HG3 ARG 90 1HG ARG 90 6.838 5.705 -9.929 588 HD3 ARG 90 1HD ARG 90 5.938 7.005 -12.529 589 HE ARG 90 HE ARG 90 8.711 6.228 -11.695 590 HH11 ARG 90 1HH1 ARG 90 6.556 8.879 -12.596 591 HH12 ARG 90 2HH1 ARG 90 7.867 10.003 -12.776 592 HH21 ARG 90 1HH2 ARG 90 10.349 7.709 -11.982 593 HH22 ARG 90 2HH2 ARG 90 9.994 9.338 -12.469 594 HA PRO 91 HA PRO 91 2.038 8.350 -6.913 595 HB3 PRO 91 1HB PRO 91 2.301 7.766 -4.783 596 HG3 PRO 91 1HG PRO 91 4.309 6.752 -3.980 597 HD3 PRO 91 1HD PRO 91 3.653 5.526 -5.915 598 H GLY 92 H GLY 92 5.584 9.098 -6.704 599 HA2 GLY 92 1HA GLY 92 6.800 10.763 -7.755 600 HA3 GLY 92 2HA GLY 92 5.325 11.284 -8.604 601 H SER 93 H SER 93 3.634 12.116 -6.723 602 HA SER 93 HA SER 93 4.976 14.094 -4.957 603 HB3 SER 93 1HB SER 93 3.465 15.872 -5.897 604 HG SER 93 HG SER 93 5.274 14.787 -7.827 605 H ALA 94 H ALA 94 3.721 14.683 -3.159 606 HA ALA 94 HA ALA 94 1.711 12.977 -2.204 607 HB1 ALA 94 3HB ALA 94 1.476 14.666 -0.438 608 HB2 ALA 94 1HB ALA 94 3.184 14.424 -0.815 609 HB3 ALA 94 2HB ALA 94 2.337 15.863 -1.424 610 H SER 95 H SER 95 1.288 15.823 -4.269 611 HA SER 95 HA SER 95 -1.513 16.189 -3.929 612 HB3 SER 95 1HB SER 95 -0.169 17.779 -5.135 613 HG SER 95 HG SER 95 0.760 17.178 -7.193 614 H VAL 96 H VAL 96 0.220 13.622 -5.695 615 HA VAL 96 HA VAL 96 -2.271 12.618 -6.952 616 HB VAL 96 HB VAL 96 0.539 11.432 -6.785 617 HG11 VAL 96 1HG1 VAL 96 -0.178 9.997 -8.697 618 HG12 VAL 96 2HG1 VAL 96 -1.073 9.638 -7.224 619 HG13 VAL 96 3HG1 VAL 96 -1.839 10.605 -8.506 620 HG21 VAL 96 3HG2 VAL 96 0.564 13.528 -8.073 621 HG22 VAL 96 1HG2 VAL 96 0.775 12.151 -9.157 622 HG23 VAL 96 2HG2 VAL 96 -0.810 12.960 -9.057 623 H LEU 97 H LEU 97 -0.082 11.738 -4.264 624 HA LEU 97 HA LEU 97 -1.518 9.295 -3.659 625 HB3 LEU 97 1HB LEU 97 0.082 10.410 -1.448 626 HG LEU 97 HG LEU 97 0.533 8.086 -3.401 627 HD11 LEU 97 1HD1 LEU 97 1.816 8.611 -0.695 628 HD12 LEU 97 2HD1 LEU 97 2.605 8.690 -2.295 629 HD13 LEU 97 3HD1 LEU 97 2.010 7.148 -1.704 630 HD21 LEU 97 3HD2 LEU 97 -1.457 7.520 -2.345 631 HD22 LEU 97 1HD2 LEU 97 -1.046 8.368 -0.863 632 HD23 LEU 97 2HD2 LEU 97 -0.271 6.826 -1.221 633 H GLU 98 H GLU 98 -1.486 12.500 -2.015 634 HA GLU 98 HA GLU 98 -3.442 11.933 -0.066 635 HB3 GLU 98 1HB GLU 98 -3.895 14.383 -0.125 636 HG3 GLU 98 1HG GLU 98 -0.909 13.744 -0.115 637 H GLU 99 H GLU 99 -3.902 13.097 -3.451 638 HA GLU 99 HA GLU 99 -6.705 13.481 -3.421 639 HB3 GLU 99 1HB GLU 99 -4.749 12.658 -5.590 640 HG3 GLU 99 1HG GLU 99 -7.704 13.211 -5.852 641 H ALA 100 H ALA 100 -4.843 10.463 -3.880 642 HA ALA 100 HA ALA 100 -7.245 8.868 -4.352 643 HB1 ALA 100 3HB ALA 100 -4.389 8.087 -3.648 644 HB2 ALA 100 1HB ALA 100 -5.667 6.987 -4.216 645 HB3 ALA 100 2HB ALA 100 -5.064 8.267 -5.289 646 H PHE 101 H PHE 101 -5.239 9.689 -1.470 647 HA PHE 101 HA PHE 101 -6.342 7.648 0.222 648 HB3 PHE 101 1HB PHE 101 -5.692 9.625 1.953 649 HD1 PHE 101 HD1 PHE 101 -3.245 7.906 -0.470 650 HD2 PHE 101 HD2 PHE 101 -4.969 8.027 3.505 651 HE1 PHE 101 HE1 PHE 101 -1.674 6.214 0.298 652 HE2 PHE 101 HE2 PHE 101 -3.377 6.281 4.233 653 HZ PHE 101 HZ PHE 101 -1.713 5.384 2.584 654 H GLU 102 H GLU 102 -7.199 11.119 -0.147 655 HA GLU 102 HA GLU 102 -9.463 11.021 1.608 656 HB3 GLU 102 1HB GLU 102 -8.737 13.167 1.138 657 HG3 GLU 102 1HG GLU 102 -8.634 12.414 -1.739 658 H SER 103 H SER 103 -9.181 10.157 -1.842 659 HA SER 103 HA SER 103 -12.019 9.975 -2.265 660 HB3 SER 103 1HB SER 103 -9.774 8.605 -3.787 661 HG SER 103 HG SER 103 -11.330 8.808 -5.528 662 H LEU 104 H LEU 104 -9.642 7.666 -0.985 663 HA LEU 104 HA LEU 104 -11.673 5.472 -1.071 664 HB3 LEU 104 1HB LEU 104 -9.693 4.063 -0.389 665 HG LEU 104 HG LEU 104 -8.925 3.640 -2.466 666 HD11 LEU 104 1HD1 LEU 104 -11.374 5.236 -3.293 667 HD12 LEU 104 2HD1 LEU 104 -11.466 3.682 -2.429 668 HD13 LEU 104 3HD1 LEU 104 -10.732 3.755 -4.027 669 HD21 LEU 104 3HD2 LEU 104 -9.253 6.515 -3.354 670 HD22 LEU 104 1HD2 LEU 104 -8.629 5.217 -4.347 671 HD23 LEU 104 2HD2 LEU 104 -7.720 5.708 -2.912 672 H VAL 105 H VAL 105 -10.083 7.542 1.258 673 HA VAL 105 HA VAL 105 -11.029 6.043 3.548 674 HB VAL 105 HB VAL 105 -9.166 7.930 3.327 675 HG11 VAL 105 1HG1 VAL 105 -11.464 9.631 4.345 676 HG12 VAL 105 2HG1 VAL 105 -9.794 10.115 4.047 677 HG13 VAL 105 3HG1 VAL 105 -10.834 9.714 2.689 678 HG21 VAL 105 3HG2 VAL 105 -10.860 7.797 5.828 679 HG22 VAL 105 1HG2 VAL 105 -9.690 6.561 5.316 680 HG23 VAL 105 2HG2 VAL 105 -9.121 8.195 5.663 681 H GLY 106 H GLY 106 -12.518 8.272 1.318 682 HA2 GLY 106 1HA GLY 106 -14.837 8.451 1.029 683 HA3 GLY 106 2HA GLY 106 -15.122 8.104 2.755 684 H GLU 107 H GLU 107 -12.657 10.437 2.048 685 HA GLU 107 HA GLU 107 -14.370 12.707 2.934 686 HB3 GLU 107 1HB GLU 107 -12.029 13.724 3.326 687 HG3 GLU 107 1HG GLU 107 -11.571 12.352 5.389 688 H GLY 108 H GLY 108 -13.848 11.426 0.091 689 HA2 GLY 108 1HA GLY 108 -12.146 12.954 -1.413 690 HA3 GLY 108 2HA GLY 108 -13.505 12.070 -2.100 Start of MODEL 2 1 H1 MET 1 H MET 1 2.374 3.362 11.952 2 HA MET 1 HA MET 1 3.566 3.039 9.937 3 HB3 MET 1 1HB MET 1 4.254 5.367 9.082 4 HG3 MET 1 1HG MET 1 1.914 6.282 9.206 5 HE1 MET 1 3HE MET 1 2.246 6.109 6.727 6 HE2 MET 1 1HE MET 1 3.652 5.041 6.924 7 HE3 MET 1 2HE MET 1 2.346 4.621 5.791 8 H LYS 2 H LYS 2 5.521 4.123 12.573 9 HA LYS 2 HA LYS 2 8.009 4.577 11.264 10 HB3 LYS 2 1HB LYS 2 7.425 3.769 14.146 11 HG3 LYS 2 1HG LYS 2 9.709 5.343 12.888 12 HD3 LYS 2 1HD LYS 2 8.956 6.506 14.932 13 HE3 LYS 2 1HE LYS 2 9.521 3.832 16.298 14 HZ1 LYS 2 3HZ LYS 2 8.762 6.441 17.490 15 HZ2 LYS 2 1HZ LYS 2 10.239 5.747 17.618 16 HZ3 LYS 2 2HZ LYS 2 8.940 5.047 18.314 17 H THR 3 H THR 3 6.540 1.539 11.998 18 HA THR 3 HA THR 3 8.832 -0.129 12.388 19 HB THR 3 HB THR 3 7.150 -1.959 11.681 20 HG1 THR 3 HG1 THR 3 4.975 -1.168 11.781 21 HG21 THR 3 3HG2 THR 3 5.968 -1.768 13.832 22 HG22 THR 3 1HG2 THR 3 6.506 -0.078 13.995 23 HG23 THR 3 2HG2 THR 3 7.694 -1.406 14.005 24 H ARG 4 H ARG 4 9.556 -1.836 11.059 25 HA ARG 4 HA ARG 4 10.221 -0.986 8.321 26 HB3 ARG 4 1HB ARG 4 11.554 -3.195 8.445 27 HG3 ARG 4 1HG ARG 4 12.741 -1.131 8.702 28 HD3 ARG 4 1HD ARG 4 11.576 0.083 10.477 29 HE ARG 4 HE ARG 4 12.042 -2.288 12.096 30 HH11 ARG 4 1HH1 ARG 4 11.645 1.223 12.383 31 HH12 ARG 4 2HH1 ARG 4 11.305 1.119 14.082 32 HH21 ARG 4 1HH2 ARG 4 11.551 -2.333 14.280 33 HH22 ARG 4 2HH2 ARG 4 11.204 -0.857 15.118 34 H TYR 5 H TYR 5 10.155 -2.694 6.572 35 HA TYR 5 HA TYR 5 7.514 -3.620 6.076 36 HB3 TYR 5 1HB TYR 5 8.830 -5.001 4.270 37 HD1 TYR 5 HD1 TYR 5 6.871 -4.051 3.254 38 HD2 TYR 5 HD2 TYR 5 10.319 -1.650 4.132 39 HE1 TYR 5 HE1 TYR 5 6.064 -2.303 1.621 40 HE2 TYR 5 HE2 TYR 5 9.565 0.050 2.486 41 HH TYR 5 HH TYR 5 8.032 0.607 0.892 42 H SER 6 H SER 6 6.616 -5.683 5.807 43 HA SER 6 HA SER 6 7.740 -7.742 7.649 44 HB3 SER 6 1HB SER 6 5.402 -8.504 7.827 45 HG SER 6 HG SER 6 6.051 -6.966 9.355 46 H ALA 7 H ALA 7 8.667 -9.432 6.697 47 HA ALA 7 HA ALA 7 8.008 -10.349 3.970 48 HB1 ALA 7 3HB ALA 7 9.813 -11.496 6.166 49 HB2 ALA 7 1HB ALA 7 9.742 -12.032 4.466 50 HB3 ALA 7 2HB ALA 7 10.318 -10.401 4.850 51 H GLU 8 H GLU 8 6.972 -11.058 7.209 52 HA GLU 8 HA GLU 8 5.747 -13.629 6.534 53 HB3 GLU 8 1HB GLU 8 6.806 -13.402 8.697 54 HG3 GLU 8 1HG GLU 8 5.370 -12.075 10.460 55 H ALA 9 H ALA 9 4.786 -11.162 5.159 56 HA ALA 9 HA ALA 9 2.181 -10.455 6.080 57 HB1 ALA 9 3HB ALA 9 3.398 -9.065 4.492 58 HB2 ALA 9 1HB ALA 9 3.416 -10.381 3.289 59 HB3 ALA 9 2HB ALA 9 1.887 -9.601 3.727 60 HA PRO 10 HA PRO 10 -0.415 -13.861 4.978 61 HB3 PRO 10 1HB PRO 10 -2.171 -12.646 5.833 62 HG3 PRO 10 1HG PRO 10 -2.392 -10.285 5.399 63 HD3 PRO 10 1HD PRO 10 -0.283 -10.758 6.406 64 H ALA 11 H ALA 11 -1.416 -15.031 3.286 65 HA ALA 11 HA ALA 11 -0.768 -14.331 0.489 66 HB1 ALA 11 3HB ALA 11 -2.469 -16.571 1.714 67 HB2 ALA 11 1HB ALA 11 -1.974 -16.457 0.013 68 HB3 ALA 11 2HB ALA 11 -0.754 -16.697 1.279 69 H ARG 12 H ARG 12 -2.525 -14.095 -1.147 70 HA ARG 12 HA ARG 12 -4.240 -11.998 -0.353 71 HB3 ARG 12 1HB ARG 12 -4.714 -13.559 -2.906 72 HG3 ARG 12 1HG ARG 12 -4.669 -10.598 -2.153 73 HD3 ARG 12 1HD ARG 12 -5.027 -11.927 -4.873 74 HE ARG 12 HE ARG 12 -5.010 -8.989 -4.245 75 HH11 ARG 12 1HH1 ARG 12 -6.595 -11.643 -5.974 76 HH12 ARG 12 2HH1 ARG 12 -7.674 -10.568 -6.809 77 HH21 ARG 12 1HH2 ARG 12 -6.374 -7.661 -5.407 78 HH22 ARG 12 2HH2 ARG 12 -7.534 -8.341 -6.500 79 H ASP 13 H ASP 13 -4.939 -15.439 -0.533 80 HA ASP 13 HA ASP 13 -7.796 -15.264 -0.131 81 HB3 ASP 13 1HB ASP 13 -7.558 -17.646 0.554 82 H GLU 14 H GLU 14 -5.071 -15.006 2.113 83 HA GLU 14 HA GLU 14 -6.736 -15.329 4.538 84 HB3 GLU 14 1HB GLU 14 -4.575 -14.763 5.655 85 HG3 GLU 14 1HG GLU 14 -4.293 -16.980 3.576 86 H LEU 15 H LEU 15 -5.180 -12.824 2.572 87 HA LEU 15 HA LEU 15 -5.692 -10.479 4.117 88 HB3 LEU 15 1HB LEU 15 -5.636 -10.884 1.095 89 HG LEU 15 HG LEU 15 -5.999 -8.492 2.152 90 HD11 LEU 15 1HD1 LEU 15 -4.044 -8.731 3.772 91 HD12 LEU 15 2HD1 LEU 15 -3.950 -7.325 2.698 92 HD13 LEU 15 3HD1 LEU 15 -2.967 -8.754 2.347 93 HD21 LEU 15 3HD2 LEU 15 -5.625 -8.853 -0.201 94 HD22 LEU 15 1HD2 LEU 15 -3.910 -9.209 0.057 95 HD23 LEU 15 2HD2 LEU 15 -4.517 -7.578 0.340 96 H ASP 16 H ASP 16 -7.688 -12.275 1.768 97 HA ASP 16 HA ASP 16 -9.850 -10.488 1.503 98 HB3 ASP 16 1HB ASP 16 -9.740 -13.521 1.375 99 H ARG 17 H ARG 17 -8.955 -12.277 4.316 100 HA ARG 17 HA ARG 17 -11.603 -12.377 5.546 101 HB3 ARG 17 1HB ARG 17 -10.378 -13.022 7.572 102 HG3 ARG 17 1HG ARG 17 -9.150 -15.025 6.839 103 HD3 ARG 17 1HD ARG 17 -10.837 -16.138 5.408 104 HE ARG 17 HE ARG 17 -11.293 -15.681 7.859 105 HH11 ARG 17 1HH1 ARG 17 -13.519 -14.445 5.408 106 HH12 ARG 17 2HH1 ARG 17 -14.850 -14.392 6.524 107 HH21 ARG 17 1HH2 ARG 17 -13.054 -15.590 9.250 108 HH22 ARG 17 2HH2 ARG 17 -14.593 -15.035 8.652 109 H LEU 18 H LEU 18 -9.229 -9.862 5.045 110 HA LEU 18 HA LEU 18 -10.014 -8.336 7.408 111 HB3 LEU 18 1HB LEU 18 -7.812 -8.112 6.211 112 HG LEU 18 HG LEU 18 -8.810 -7.501 3.866 113 HD11 LEU 18 1HD1 LEU 18 -8.933 -5.009 3.503 114 HD12 LEU 18 2HD1 LEU 18 -9.002 -4.803 5.271 115 HD13 LEU 18 3HD1 LEU 18 -10.297 -5.651 4.403 116 HD21 LEU 18 3HD2 LEU 18 -6.399 -7.464 4.462 117 HD22 LEU 18 1HD2 LEU 18 -6.599 -5.847 5.168 118 HD23 LEU 18 2HD2 LEU 18 -6.814 -6.087 3.421 119 H ALA 19 H ALA 19 -11.144 -6.259 7.395 120 HA ALA 19 HA ALA 19 -13.293 -6.046 5.301 121 HB1 ALA 19 3HB ALA 19 -14.940 -5.799 7.091 122 HB2 ALA 19 1HB ALA 19 -14.104 -7.358 7.237 123 HB3 ALA 19 2HB ALA 19 -13.681 -6.022 8.329 124 H GLY 20 H GLY 20 -11.168 -4.261 7.497 125 HA2 GLY 20 1HA GLY 20 -12.688 -1.786 7.273 126 HA3 GLY 20 2HA GLY 20 -11.099 -1.989 8.047 127 HA PRO 21 HA PRO 21 -10.444 0.167 3.915 128 HB3 PRO 21 1HB PRO 21 -10.735 2.454 4.073 129 HG3 PRO 21 1HG PRO 21 -12.697 1.873 5.268 130 HD3 PRO 21 1HD PRO 21 -12.651 0.361 7.049 131 H THR 22 H THR 22 -8.521 -0.820 3.487 132 HA THR 22 HA THR 22 -6.130 -0.316 5.234 133 HB THR 22 HB THR 22 -7.123 -3.019 4.244 134 HG1 THR 22 HG1 THR 22 -7.148 -3.390 6.520 135 HG21 THR 22 3HG2 THR 22 -4.548 -2.231 5.697 136 HG22 THR 22 1HG2 THR 22 -4.669 -2.989 4.106 137 HG23 THR 22 2HG2 THR 22 -5.135 -3.899 5.542 138 H LEU 23 H LEU 23 -4.550 0.472 4.043 139 HA LEU 23 HA LEU 23 -4.388 -0.091 1.150 140 HB3 LEU 23 1HB LEU 23 -2.617 1.568 2.993 141 HG LEU 23 HG LEU 23 -1.390 1.039 0.969 142 HD11 LEU 23 1HD1 LEU 23 -2.546 2.012 -1.243 143 HD12 LEU 23 2HD1 LEU 23 -4.007 1.621 -0.338 144 HD13 LEU 23 3HD1 LEU 23 -2.793 0.369 -0.667 145 HD21 LEU 23 3HD2 LEU 23 -1.038 3.292 0.076 146 HD22 LEU 23 1HD2 LEU 23 -1.191 3.312 1.841 147 HD23 LEU 23 2HD2 LEU 23 -2.560 3.824 0.825 148 H VAL 24 H VAL 24 -3.083 -1.633 0.311 149 HA VAL 24 HA VAL 24 -1.100 -3.023 2.078 150 HB VAL 24 HB VAL 24 -2.549 -4.063 -0.396 151 HG11 VAL 24 1HG1 VAL 24 -0.333 -5.126 -0.113 152 HG12 VAL 24 2HG1 VAL 24 -0.727 -5.528 1.570 153 HG13 VAL 24 3HG1 VAL 24 -1.636 -6.260 0.232 154 HG21 VAL 24 3HG2 VAL 24 -4.122 -3.851 1.496 155 HG22 VAL 24 1HG2 VAL 24 -3.764 -5.543 1.157 156 HG23 VAL 24 2HG2 VAL 24 -3.002 -4.736 2.550 157 H GLU 25 H GLU 25 0.914 -2.505 1.677 158 HA GLU 25 HA GLU 25 1.705 -1.353 -0.964 159 HB3 GLU 25 1HB GLU 25 2.745 -0.958 1.867 160 HG3 GLU 25 1HG GLU 25 3.701 0.427 -0.662 161 H PHE 26 H PHE 26 3.227 -2.327 -2.153 162 HA PHE 26 HA PHE 26 4.808 -4.587 -1.014 163 HB3 PHE 26 1HB PHE 26 4.974 -5.484 -3.154 164 HD1 PHE 26 HD1 PHE 26 2.951 -6.502 -1.667 165 HD2 PHE 26 HD2 PHE 26 2.494 -3.596 -4.815 166 HE1 PHE 26 HE1 PHE 26 0.508 -6.960 -1.744 167 HE2 PHE 26 HE2 PHE 26 0.088 -4.138 -4.961 168 HZ PHE 26 HZ PHE 26 -0.936 -5.755 -3.358 169 H GLY 27 H GLY 27 6.949 -4.287 -0.670 170 HA2 GLY 27 1HA GLY 27 8.703 -2.725 -2.294 171 HA3 GLY 27 2HA GLY 27 8.213 -1.772 -0.921 172 H THR 28 H THR 28 10.527 -1.798 -0.467 173 HA THR 28 HA THR 28 11.204 -3.854 1.536 174 HB THR 28 HB THR 28 13.521 -4.089 0.745 175 HG1 THR 28 HG1 THR 28 13.911 -3.462 -1.469 176 HG21 THR 28 3HG2 THR 28 11.578 -4.969 -1.421 177 HG22 THR 28 1HG2 THR 28 11.875 -5.825 0.106 178 HG23 THR 28 2HG2 THR 28 13.167 -5.646 -1.091 179 H ASP 29 H ASP 29 13.341 -3.151 2.628 180 HA ASP 29 HA ASP 29 12.945 -0.400 3.562 181 HB3 ASP 29 1HB ASP 29 14.976 -2.541 4.324 182 H TRP 30 H TRP 30 14.603 -1.768 0.973 183 HA TRP 30 HA TRP 30 16.899 0.139 1.081 184 HB3 TRP 30 1HB TRP 30 17.630 -1.975 1.815 185 HD1 TRP 30 HD TRP 30 16.254 -4.098 2.337 186 HE1 TRP 30 HE1 TRP 30 15.504 -6.153 1.008 187 HE3 TRP 30 HE3 TRP 30 17.368 -2.451 -2.383 188 HZ2 TRP 30 HZ2 TRP 30 15.260 -6.922 -1.762 189 HZ3 TRP 30 HZ3 TRP 30 16.886 -3.869 -4.342 190 HH2 TRP 30 HH TRP 30 15.831 -6.107 -4.062 191 H CYS 31 H CYS 31 14.376 -1.016 -1.107 192 HA CYS 31 HA CYS 31 15.750 -0.356 -3.540 193 HB2 CYS 31 1HB CYS 31 13.689 -1.672 -3.566 194 HB3 CYS 31 2HB CYS 31 12.777 -0.335 -2.879 195 H GLY 32 H GLY 32 15.898 1.531 -4.711 196 HA2 GLY 32 1HA GLY 32 15.827 4.077 -3.319 197 HA3 GLY 32 2HA GLY 32 16.187 3.829 -5.034 198 H HIS 33 H HIS 33 13.412 2.348 -5.260 199 HA HIS 33 HA HIS 33 11.713 4.716 -5.675 200 HB2 HIS 33 1HB HIS 33 10.913 1.783 -5.369 201 HB3 HIS 33 2HB HIS 33 9.929 3.086 -6.003 202 HD1 HIS 33 HD1 HIS 33 11.895 0.307 -7.195 203 HD2 HIS 33 HD2 HIS 33 10.980 4.210 -8.448 204 HE1 HIS 33 HE1 HIS 33 11.824 0.251 -9.760 205 H CYS 34 H CYS 34 11.987 2.099 -3.242 206 HA CYS 34 HA CYS 34 9.873 2.955 -1.531 207 HB3 CYS 34 1HB CYS 34 11.417 1.633 0.168 208 HG CYS 34 HG CYS 34 10.175 0.458 -2.693 209 H GLN 35 H GLN 35 13.318 3.953 -1.575 210 HA GLN 35 HA GLN 35 13.166 5.309 0.934 211 HB3 GLN 35 1HB GLN 35 15.147 6.578 0.209 212 HG3 GLN 35 1HG GLN 35 16.714 4.897 -0.295 213 HE21 GLN 35 2HE2 GLN 35 14.756 2.170 -0.073 214 HE22 GLN 35 1HE2 GLN 35 14.978 1.934 1.662 215 H ALA 36 H ALA 36 11.950 6.169 -2.158 216 HA ALA 36 HA ALA 36 11.427 9.020 -1.441 217 HB1 ALA 36 3HB ALA 36 10.931 7.441 -4.009 218 HB2 ALA 36 1HB ALA 36 10.717 9.194 -3.786 219 HB3 ALA 36 2HB ALA 36 12.342 8.467 -3.680 220 H ALA 37 H ALA 37 9.654 5.964 -2.072 221 HA ALA 37 HA ALA 37 7.050 7.272 -1.879 222 HB1 ALA 37 3HB ALA 37 6.163 5.039 -2.222 223 HB2 ALA 37 1HB ALA 37 7.461 5.381 -3.379 224 HB3 ALA 37 2HB ALA 37 7.773 4.320 -1.989 225 H GLN 38 H GLN 38 9.136 5.503 0.414 226 HA GLN 38 HA GLN 38 7.139 4.954 2.380 227 HB3 GLN 38 1HB GLN 38 9.215 5.158 3.951 228 HG3 GLN 38 1HG GLN 38 9.181 3.178 1.630 229 HE21 GLN 38 2HE2 GLN 38 11.649 3.605 1.825 230 HE22 GLN 38 1HE2 GLN 38 12.493 2.627 3.039 231 HA PRO 39 HA PRO 39 7.891 9.165 4.493 232 HB3 PRO 39 1HB PRO 39 10.028 9.995 4.201 233 HG3 PRO 39 1HG PRO 39 11.170 9.774 2.120 234 HD3 PRO 39 1HD PRO 39 10.533 7.603 2.807 235 H LEU 40 H LEU 40 7.117 8.746 1.108 236 HA LEU 40 HA LEU 40 5.389 11.050 0.803 237 HB3 LEU 40 1HB LEU 40 4.745 8.554 -0.727 238 HG LEU 40 HG LEU 40 4.779 9.780 -2.632 239 HD11 LEU 40 1HD1 LEU 40 3.308 11.527 -2.355 240 HD12 LEU 40 2HD1 LEU 40 4.016 12.075 -0.810 241 HD13 LEU 40 3HD1 LEU 40 3.034 10.601 -0.879 242 HD21 LEU 40 3HD2 LEU 40 7.020 10.725 -2.462 243 HD22 LEU 40 1HD2 LEU 40 6.453 11.936 -1.286 244 HD23 LEU 40 2HD2 LEU 40 5.856 11.968 -2.959 245 H LEU 41 H LEU 41 4.811 7.566 1.381 246 HA LEU 41 HA LEU 41 2.022 7.762 1.892 247 HB3 LEU 41 1HB LEU 41 2.592 5.569 3.292 248 HG LEU 41 HG LEU 41 2.434 4.130 1.470 249 HD11 LEU 41 1HD1 LEU 41 0.572 4.924 0.167 250 HD12 LEU 41 2HD1 LEU 41 0.881 6.600 0.630 251 HD13 LEU 41 3HD1 LEU 41 0.428 5.427 1.875 252 HD21 LEU 41 3HD2 LEU 41 4.253 4.830 0.105 253 HD22 LEU 41 1HD2 LEU 41 3.495 6.378 -0.255 254 HD23 LEU 41 2HD2 LEU 41 2.799 4.874 -0.891 255 H ALA 42 H ALA 42 4.824 7.885 4.072 256 HA ALA 42 HA ALA 42 3.410 8.116 6.533 257 HB1 ALA 42 3HB ALA 42 6.070 9.387 5.756 258 HB2 ALA 42 1HB ALA 42 5.499 9.045 7.395 259 HB3 ALA 42 2HB ALA 42 5.851 7.703 6.291 260 H GLU 43 H GLU 43 4.223 10.708 4.192 261 HA GLU 43 HA GLU 43 3.221 12.858 5.864 262 HB3 GLU 43 1HB GLU 43 3.200 14.084 3.594 263 HG3 GLU 43 1HG GLU 43 5.771 13.987 3.451 264 H VAL 44 H VAL 44 1.772 11.084 3.050 265 HA VAL 44 HA VAL 44 -0.721 12.482 3.271 266 HB VAL 44 HB VAL 44 -0.306 11.487 1.235 267 HG11 VAL 44 1HG1 VAL 44 -0.141 9.213 0.697 268 HG12 VAL 44 2HG1 VAL 44 1.103 9.620 1.847 269 HG13 VAL 44 3HG1 VAL 44 -0.310 8.698 2.401 270 HG21 VAL 44 3HG2 VAL 44 -2.318 10.234 0.780 271 HG22 VAL 44 1HG2 VAL 44 -2.482 9.784 2.497 272 HG23 VAL 44 2HG2 VAL 44 -2.693 11.467 2.003 273 H PHE 45 H PHE 45 0.176 9.270 4.607 274 HA PHE 45 HA PHE 45 -2.301 8.605 5.785 275 HB3 PHE 45 1HB PHE 45 -0.522 7.503 7.575 276 HD1 PHE 45 HD2 PHE 45 -2.811 6.349 7.187 277 HD2 PHE 45 HD1 PHE 45 0.562 5.995 4.494 278 HE1 PHE 45 HE2 PHE 45 -3.609 4.143 6.416 279 HE2 PHE 45 HE1 PHE 45 -0.232 3.789 3.803 280 HZ PHE 45 HZ PHE 45 -2.336 2.857 4.744 281 H SER 46 H SER 46 0.047 10.933 6.992 282 HA SER 46 HA SER 46 -0.837 11.045 9.729 283 HB3 SER 46 1HB SER 46 0.183 13.314 9.707 284 HG SER 46 HG SER 46 1.875 11.416 8.406 285 H ASP 47 H ASP 47 -2.418 12.200 6.813 286 HA ASP 47 HA ASP 47 -4.348 13.800 8.426 287 HB3 ASP 47 1HB ASP 47 -4.236 13.502 5.418 288 H TYR 48 H TYR 48 -3.982 10.641 7.352 289 HA TYR 48 HA TYR 48 -6.918 10.096 7.543 290 HB3 TYR 48 1HB TYR 48 -6.856 8.539 5.722 291 HD1 TYR 48 HD1 TYR 48 -8.362 10.538 5.162 292 HD2 TYR 48 HD2 TYR 48 -4.175 10.431 4.211 293 HE1 TYR 48 HE1 TYR 48 -8.686 12.413 3.566 294 HE2 TYR 48 HE2 TYR 48 -4.453 12.430 2.762 295 HH TYR 48 HH TYR 48 -5.909 13.942 1.857 296 HA PRO 49 HA PRO 49 -4.044 7.342 10.168 297 HB3 PRO 49 1HB PRO 49 -3.632 8.866 11.834 298 HG3 PRO 49 1HG PRO 49 -5.198 10.609 12.320 299 HD3 PRO 49 1HD PRO 49 -4.654 10.732 10.023 300 H GLU 50 H GLU 50 -7.540 7.732 9.913 301 HA GLU 50 HA GLU 50 -8.197 5.280 11.329 302 HB3 GLU 50 1HB GLU 50 -9.823 7.046 11.189 303 HG3 GLU 50 1HG GLU 50 -11.157 6.960 8.960 304 H VAL 51 H VAL 51 -6.743 5.810 8.266 305 HA VAL 51 HA VAL 51 -7.689 3.245 7.102 306 HB VAL 51 HB VAL 51 -5.596 5.205 6.063 307 HG11 VAL 51 1HG1 VAL 51 -5.919 4.010 3.891 308 HG12 VAL 51 2HG1 VAL 51 -5.231 2.960 5.119 309 HG13 VAL 51 3HG1 VAL 51 -6.956 2.821 4.703 310 HG21 VAL 51 3HG2 VAL 51 -8.518 4.811 5.259 311 HG22 VAL 51 1HG2 VAL 51 -7.828 6.228 6.080 312 HG23 VAL 51 2HG2 VAL 51 -7.339 5.859 4.429 313 H GLY 52 H GLY 52 -6.470 1.369 7.106 314 HA2 GLY 52 1HA GLY 52 -4.083 1.211 8.901 315 HA3 GLY 52 2HA GLY 52 -5.008 -0.137 8.215 316 H HIS 53 H HIS 53 -2.115 0.117 8.186 317 HA HIS 53 HA HIS 53 -1.722 0.046 5.226 318 HB2 HIS 53 1HB HIS 53 -0.657 2.073 6.535 319 HB3 HIS 53 2HB HIS 53 0.510 0.886 7.092 320 HD1 HIS 53 HD1 HIS 53 2.379 2.293 5.627 321 HD2 HIS 53 HD2 HIS 53 -0.746 0.541 3.437 322 HE1 HIS 53 HE1 HIS 53 2.990 2.457 3.122 323 H LEU 54 H LEU 54 -0.947 -1.868 4.495 324 HA LEU 54 HA LEU 54 0.461 -3.716 6.377 325 HB3 LEU 54 1HB LEU 54 -0.850 -4.565 3.792 326 HG LEU 54 HG LEU 54 -0.724 -5.975 6.493 327 HD11 LEU 54 1HD1 LEU 54 -2.559 -6.600 4.936 328 HD12 LEU 54 2HD1 LEU 54 -1.427 -7.929 5.203 329 HD13 LEU 54 3HD1 LEU 54 -1.352 -6.992 3.683 330 HD21 LEU 54 3HD2 LEU 54 1.142 -6.365 4.124 331 HD22 LEU 54 1HD2 LEU 54 0.966 -7.512 5.462 332 HD23 LEU 54 2HD2 LEU 54 1.588 -5.889 5.778 333 H LYS 55 H LYS 55 2.553 -3.212 6.164 334 HA LYS 55 HA LYS 55 3.845 -2.623 3.584 335 HB3 LYS 55 1HB LYS 55 5.878 -2.882 5.262 336 HG3 LYS 55 1HG LYS 55 3.951 -0.599 5.114 337 HD3 LYS 55 1HD LYS 55 5.712 0.819 6.089 338 HE3 LYS 55 1HE LYS 55 4.910 -1.373 8.064 339 HZ1 LYS 55 3HZ LYS 55 5.370 1.514 8.564 340 HZ2 LYS 55 1HZ LYS 55 6.476 0.364 8.860 341 HZ3 LYS 55 2HZ LYS 55 5.083 0.332 9.683 342 H VAL 56 H VAL 56 3.634 -4.436 2.260 343 HA VAL 56 HA VAL 56 4.605 -7.100 3.165 344 HB VAL 56 HB VAL 56 3.818 -6.168 0.364 345 HG11 VAL 56 1HG1 VAL 56 4.140 -8.968 1.540 346 HG12 VAL 56 2HG1 VAL 56 3.530 -8.605 -0.085 347 HG13 VAL 56 3HG1 VAL 56 5.197 -8.200 0.329 348 HG21 VAL 56 3HG2 VAL 56 1.668 -7.223 0.666 349 HG22 VAL 56 1HG2 VAL 56 2.044 -7.623 2.357 350 HG23 VAL 56 2HG2 VAL 56 1.862 -5.924 1.834 351 H GLU 57 H GLU 57 6.607 -7.628 3.228 352 HA GLU 57 HA GLU 57 8.619 -6.174 1.677 353 HB3 GLU 57 1HB GLU 57 9.269 -8.734 3.097 354 HG3 GLU 57 1HG GLU 57 10.534 -5.992 2.850 355 H ASP 58 H ASP 58 8.960 -6.575 -0.397 356 HA ASP 58 HA ASP 58 8.107 -9.188 -1.574 357 HB3 ASP 58 1HB ASP 58 8.310 -6.504 -2.970 358 H GLY 59 H GLY 59 9.514 -10.379 -2.789 359 HA2 GLY 59 1HA GLY 59 12.332 -9.390 -3.160 360 HA3 GLY 59 2HA GLY 59 11.932 -10.995 -2.525 361 HA PRO 60 HA PRO 60 12.584 -11.299 -7.127 362 HB3 PRO 60 1HB PRO 60 14.468 -12.677 -7.507 363 HG3 PRO 60 1HG PRO 60 15.258 -10.994 -5.995 364 HD3 PRO 60 1HD PRO 60 14.214 -10.632 -3.918 365 H GLY 61 H GLY 61 11.247 -12.459 -8.456 366 HA2 GLY 61 1HA GLY 61 9.610 -13.958 -9.152 367 HA3 GLY 61 2HA GLY 61 9.848 -14.909 -7.659 368 H ARG 62 H ARG 62 9.464 -12.165 -6.257 369 HA ARG 62 HA ARG 62 7.982 -10.879 -5.260 370 HB3 ARG 62 1HB ARG 62 5.833 -10.297 -6.270 371 HG3 ARG 62 1HG ARG 62 7.868 -10.575 -8.516 372 HD3 ARG 62 1HD ARG 62 5.811 -8.446 -7.805 373 HE ARG 62 HE ARG 62 8.012 -8.471 -9.725 374 HH11 ARG 62 1HH1 ARG 62 4.770 -7.066 -9.221 375 HH12 ARG 62 2HH1 ARG 62 5.198 -5.661 -10.182 376 HH21 ARG 62 1HH2 ARG 62 8.355 -6.636 -10.989 377 HH22 ARG 62 2HH2 ARG 62 7.090 -5.436 -11.113 378 H ARG 63 H ARG 63 6.293 -10.774 -3.817 379 HA ARG 63 HA ARG 63 5.137 -13.383 -2.896 380 HB3 ARG 63 1HB ARG 63 5.425 -10.813 -1.272 381 HG3 ARG 63 1HG ARG 63 5.014 -13.744 -0.492 382 HD3 ARG 63 1HD ARG 63 4.989 -11.252 1.259 383 HE ARG 63 HE ARG 63 3.740 -12.769 2.512 384 HH11 ARG 63 1HH1 ARG 63 6.596 -14.513 1.339 385 HH12 ARG 63 2HH1 ARG 63 6.312 -15.855 2.407 386 HH21 ARG 63 1HH2 ARG 63 3.473 -14.456 3.860 387 HH22 ARG 63 2HH2 ARG 63 4.543 -15.842 3.810 388 H LEU 64 H LEU 64 3.546 -10.578 -1.725 389 HA LEU 64 HA LEU 64 1.051 -11.543 -2.753 390 HB3 LEU 64 1HB LEU 64 1.630 -8.946 -1.291 391 HG LEU 64 HG LEU 64 -0.708 -9.181 -1.913 392 HD11 LEU 64 1HD1 LEU 64 -2.099 -11.031 -0.939 393 HD12 LEU 64 2HD1 LEU 64 -0.595 -11.893 -0.544 394 HD13 LEU 64 3HD1 LEU 64 -1.041 -11.560 -2.236 395 HD21 LEU 64 3HD2 LEU 64 -1.679 -9.148 0.408 396 HD22 LEU 64 1HD2 LEU 64 -0.216 -8.189 0.262 397 HD23 LEU 64 2HD2 LEU 64 -0.144 -9.788 1.025 398 H GLY 65 H GLY 65 3.098 -8.859 -3.876 399 HA2 GLY 65 1HA GLY 65 1.148 -7.495 -5.431 400 HA3 GLY 65 2HA GLY 65 2.908 -7.442 -5.692 401 H ARG 66 H ARG 66 2.832 -10.468 -6.216 402 HA ARG 66 HA ARG 66 2.186 -10.447 -9.060 403 HB3 ARG 66 1HB ARG 66 2.941 -12.682 -7.129 404 HG3 ARG 66 1HG ARG 66 2.960 -12.622 -10.183 405 HD3 ARG 66 1HD ARG 66 4.151 -14.606 -8.193 406 HE ARG 66 HE ARG 66 3.254 -15.208 -10.752 407 HH11 ARG 66 1HH1 ARG 66 6.427 -15.218 -9.184 408 HH12 ARG 66 2HH1 ARG 66 7.017 -16.516 -10.186 409 HH21 ARG 66 1HH2 ARG 66 4.069 -16.896 -11.991 410 HH22 ARG 66 2HH2 ARG 66 5.699 -17.450 -11.753 411 H SER 67 H SER 67 0.566 -11.644 -6.100 412 HA SER 67 HA SER 67 -1.638 -12.925 -7.504 413 HB3 SER 67 1HB SER 67 -2.620 -13.106 -5.297 414 HG SER 67 HG SER 67 -0.914 -14.204 -4.245 415 H PHE 68 H PHE 68 -0.946 -9.639 -6.377 416 HA PHE 68 HA PHE 68 -3.584 -8.599 -7.156 417 HB3 PHE 68 1HB PHE 68 -2.225 -6.374 -6.826 418 HD1 PHE 68 HD2 PHE 68 -4.435 -6.088 -5.867 419 HD2 PHE 68 HD1 PHE 68 -1.397 -8.404 -3.934 420 HE1 PHE 68 HE2 PHE 68 -5.756 -6.027 -3.743 421 HE2 PHE 68 HE1 PHE 68 -2.675 -8.331 -1.778 422 HZ PHE 68 HZ PHE 68 -4.879 -7.130 -1.728 423 H GLN 69 H GLN 69 -0.905 -9.597 -8.946 424 HA GLN 69 HA GLN 69 -0.269 -9.388 -11.110 425 HB3 GLN 69 1HB GLN 69 -1.885 -8.920 -12.800 426 HG3 GLN 69 1HG GLN 69 -2.473 -10.843 -10.817 427 HE21 GLN 69 2HE2 GLN 69 -3.968 -10.303 -9.068 428 HE22 GLN 69 1HE2 GLN 69 -5.609 -9.809 -9.399 429 H VAL 70 H VAL 70 0.671 -7.384 -9.384 430 HA VAL 70 HA VAL 70 0.192 -4.711 -10.173 431 HB VAL 70 HB VAL 70 2.479 -6.053 -8.710 432 HG11 VAL 70 1HG1 VAL 70 3.511 -4.068 -9.660 433 HG12 VAL 70 2HG1 VAL 70 2.131 -3.062 -9.182 434 HG13 VAL 70 3HG1 VAL 70 3.205 -3.796 -7.954 435 HG21 VAL 70 3HG2 VAL 70 0.207 -5.912 -7.636 436 HG22 VAL 70 1HG2 VAL 70 1.462 -5.009 -6.768 437 HG23 VAL 70 2HG2 VAL 70 0.274 -4.155 -7.777 438 H LYS 71 H LYS 71 0.907 -3.389 -11.691 439 HA LYS 71 HA LYS 71 2.200 -4.489 -14.012 440 HB3 LYS 71 1HB LYS 71 1.958 -1.585 -14.064 441 HG3 LYS 71 1HG LYS 71 1.605 -3.408 -15.954 442 HD3 LYS 71 1HD LYS 71 -0.792 -3.749 -16.487 443 HE3 LYS 71 1HE LYS 71 -0.092 -4.799 -13.709 444 HZ1 LYS 71 3HZ LYS 71 -2.462 -5.021 -14.316 445 HZ2 LYS 71 1HZ LYS 71 -1.697 -6.457 -14.133 446 HZ3 LYS 71 2HZ LYS 71 -2.044 -5.901 -15.639 447 H LEU 72 H LEU 72 3.305 -1.998 -11.730 448 HA LEU 72 HA LEU 72 6.054 -2.088 -12.903 449 HB3 LEU 72 1HB LEU 72 4.937 -0.124 -10.852 450 HG LEU 72 HG LEU 72 7.474 -0.050 -11.271 451 HD11 LEU 72 1HD1 LEU 72 8.212 0.978 -13.414 452 HD12 LEU 72 2HD1 LEU 72 6.570 0.788 -14.059 453 HD13 LEU 72 3HD1 LEU 72 7.548 -0.643 -13.653 454 HD21 LEU 72 3HD2 LEU 72 7.528 2.382 -11.528 455 HD22 LEU 72 1HD2 LEU 72 6.169 1.912 -10.490 456 HD23 LEU 72 2HD2 LEU 72 5.869 2.373 -12.180 457 H TRP 73 H TRP 73 6.699 -1.083 -9.915 458 HA TRP 73 HA TRP 73 6.210 -3.587 -8.445 459 HB3 TRP 73 1HB TRP 73 8.922 -2.274 -8.569 460 HD1 TRP 73 HD TRP 73 7.824 -5.878 -7.751 461 HE1 TRP 73 HE1 TRP 73 8.728 -6.541 -5.463 462 HE3 TRP 73 HE3 TRP 73 9.797 -1.372 -6.376 463 HZ2 TRP 73 HZ2 TRP 73 10.432 -5.337 -3.424 464 HZ3 TRP 73 HZ3 TRP 73 10.986 -1.140 -4.214 465 HH2 TRP 73 HH TRP 73 11.375 -3.111 -2.776 466 HA PRO 74 HA PRO 74 6.660 -0.178 -5.225 467 HB3 PRO 74 1HB PRO 74 8.342 1.345 -5.640 468 HG3 PRO 74 1HG PRO 74 8.711 2.193 -7.867 469 HD3 PRO 74 1HD PRO 74 8.821 -0.155 -8.053 470 H THR 75 H THR 75 4.536 -0.646 -4.964 471 HA THR 75 HA THR 75 2.385 1.025 -6.117 472 HB THR 75 HB THR 75 2.776 -1.941 -6.663 473 HG1 THR 75 HG1 THR 75 3.522 0.139 -7.945 474 HG21 THR 75 3HG2 THR 75 0.412 -1.710 -6.233 475 HG22 THR 75 1HG2 THR 75 0.626 -1.728 -7.992 476 HG23 THR 75 2HG2 THR 75 0.333 -0.185 -7.161 477 H PHE 76 H PHE 76 0.577 1.000 -4.938 478 HA PHE 76 HA PHE 76 0.307 -0.934 -2.736 479 HB3 PHE 76 1HB PHE 76 1.159 0.701 -1.364 480 HD1 PHE 76 HD1 PHE 76 2.927 1.792 -2.719 481 HD2 PHE 76 HD2 PHE 76 -1.088 3.322 -2.356 482 HE1 PHE 76 HE1 PHE 76 3.695 3.986 -3.618 483 HE2 PHE 76 HE2 PHE 76 -0.304 5.523 -3.141 484 HZ PHE 76 HZ PHE 76 2.054 5.832 -3.870 485 H VAL 77 H VAL 77 -1.623 -1.674 -2.465 486 HA VAL 77 HA VAL 77 -3.810 -0.755 -4.278 487 HB VAL 77 HB VAL 77 -3.417 -3.503 -3.031 488 HG11 VAL 77 1HG1 VAL 77 -5.276 -2.471 -5.235 489 HG12 VAL 77 2HG1 VAL 77 -5.147 -4.143 -4.735 490 HG13 VAL 77 3HG1 VAL 77 -5.779 -2.926 -3.622 491 HG21 VAL 77 3HG2 VAL 77 -2.681 -4.240 -5.245 492 HG22 VAL 77 1HG2 VAL 77 -2.874 -2.598 -5.904 493 HG23 VAL 77 2HG2 VAL 77 -1.629 -2.931 -4.697 494 H PHE 78 H PHE 78 -5.570 0.079 -3.439 495 HA PHE 78 HA PHE 78 -5.905 0.251 -0.490 496 HB3 PHE 78 1HB PHE 78 -7.732 1.850 -1.073 497 HD1 PHE 78 HD2 PHE 78 -4.989 2.246 -3.603 498 HD2 PHE 78 HD1 PHE 78 -6.528 3.516 0.221 499 HE1 PHE 78 HE2 PHE 78 -3.211 3.948 -3.451 500 HE2 PHE 78 HE1 PHE 78 -4.774 5.284 0.314 501 HZ PHE 78 HZ PHE 78 -3.137 5.493 -1.553 502 H LEU 79 H LEU 79 -7.062 -1.220 0.543 503 HA LEU 79 HA LEU 79 -9.197 -2.715 -0.869 504 HB3 LEU 79 1HB LEU 79 -8.901 -4.266 1.208 505 HG LEU 79 HG LEU 79 -8.384 -5.002 -1.055 506 HD11 LEU 79 1HD1 LEU 79 -5.649 -3.780 -0.528 507 HD12 LEU 79 2HD1 LEU 79 -6.816 -3.398 -1.820 508 HD13 LEU 79 3HD1 LEU 79 -5.989 -4.950 -1.818 509 HD21 LEU 79 3HD2 LEU 79 -6.884 -6.794 -0.407 510 HD22 LEU 79 1HD2 LEU 79 -7.983 -6.418 0.924 511 HD23 LEU 79 2HD2 LEU 79 -6.295 -5.848 0.984 512 H ARG 80 H ARG 80 -11.058 -3.154 0.241 513 HA ARG 80 HA ARG 80 -11.796 -2.091 2.834 514 HB3 ARG 80 1HB ARG 80 -13.105 -0.896 0.372 515 HG3 ARG 80 1HG ARG 80 -13.388 -0.094 3.288 516 HD3 ARG 80 1HD ARG 80 -15.478 1.058 2.099 517 HE ARG 80 HE ARG 80 -12.960 2.493 1.453 518 HH11 ARG 80 1HH1 ARG 80 -15.465 1.972 3.906 519 HH12 ARG 80 2HH1 ARG 80 -15.151 3.505 4.671 520 HH21 ARG 80 1HH2 ARG 80 -12.658 4.443 2.450 521 HH22 ARG 80 2HH2 ARG 80 -13.542 4.864 3.895 522 H ASP 81 H ASP 81 -13.429 -3.375 3.622 523 HA ASP 81 HA ASP 81 -14.803 -5.157 3.818 524 HB3 ASP 81 1HB ASP 81 -15.711 -4.678 0.960 525 H GLY 82 H GLY 82 -12.058 -5.469 2.697 526 HA2 GLY 82 1HA GLY 82 -10.677 -7.302 2.355 527 HA3 GLY 82 2HA GLY 82 -12.096 -8.330 2.083 528 H ARG 83 H ARG 83 -12.709 -5.912 -0.006 529 HA ARG 83 HA ARG 83 -11.398 -7.236 -2.291 530 HB3 ARG 83 1HB ARG 83 -13.550 -5.119 -2.502 531 HG3 ARG 83 1HG ARG 83 -13.388 -7.760 -3.982 532 HD3 ARG 83 1HD ARG 83 -15.349 -6.118 -4.250 533 HE ARG 83 HE ARG 83 -13.146 -4.376 -5.020 534 HH11 ARG 83 1HH1 ARG 83 -16.571 -4.889 -5.776 535 HH12 ARG 83 2HH1 ARG 83 -16.754 -3.260 -6.359 536 HH21 ARG 83 1HH2 ARG 83 -13.408 -2.414 -5.737 537 HH22 ARG 83 2HH2 ARG 83 -14.949 -1.837 -6.342 538 H GLU 84 H GLU 84 -10.346 -5.966 -3.830 539 HA GLU 84 HA GLU 84 -9.028 -3.480 -3.075 540 HB3 GLU 84 1HB GLU 84 -9.292 -5.007 -5.677 541 HG3 GLU 84 1HG GLU 84 -7.758 -2.441 -5.170 542 H VAL 85 H VAL 85 -9.790 -1.485 -3.169 543 HA VAL 85 HA VAL 85 -12.231 -0.861 -4.797 544 HB VAL 85 HB VAL 85 -12.292 1.277 -3.479 545 HG11 VAL 85 1HG1 VAL 85 -13.421 0.235 -1.593 546 HG12 VAL 85 2HG1 VAL 85 -13.777 -0.657 -3.078 547 HG13 VAL 85 3HG1 VAL 85 -12.603 -1.309 -1.905 548 HG21 VAL 85 3HG2 VAL 85 -9.910 1.158 -2.546 549 HG22 VAL 85 1HG2 VAL 85 -11.184 1.464 -1.338 550 HG23 VAL 85 2HG2 VAL 85 -10.474 -0.151 -1.488 551 H ALA 86 H ALA 86 -8.806 -0.233 -4.495 552 HA ALA 86 HA ALA 86 -8.616 0.968 -7.107 553 HB1 ALA 86 3HB ALA 86 -7.774 3.200 -6.328 554 HB2 ALA 86 1HB ALA 86 -9.457 2.952 -5.859 555 HB3 ALA 86 2HB ALA 86 -8.141 2.726 -4.655 556 H ARG 87 H ARG 87 -6.260 1.970 -7.283 557 HA ARG 87 HA ARG 87 -4.383 1.218 -5.241 558 HB3 ARG 87 1HB ARG 87 -4.494 -0.918 -6.398 559 HG3 ARG 87 1HG ARG 87 -3.461 0.607 -8.832 560 HD3 ARG 87 1HD ARG 87 -2.360 -1.554 -8.142 561 HE ARG 87 HE ARG 87 -5.031 -2.579 -8.159 562 HH11 ARG 87 1HH1 ARG 87 -1.905 -3.554 -9.570 563 HH12 ARG 87 2HH1 ARG 87 -2.357 -5.243 -9.527 564 HH21 ARG 87 1HH2 ARG 87 -5.446 -4.752 -8.081 565 HH22 ARG 87 2HH2 ARG 87 -4.279 -5.890 -8.752 566 H VAL 88 H VAL 88 -2.336 2.143 -5.539 567 HA VAL 88 HA VAL 88 -2.135 4.245 -7.715 568 HB VAL 88 HB VAL 88 -1.306 4.376 -4.830 569 HG11 VAL 88 1HG1 VAL 88 -0.301 6.637 -5.344 570 HG12 VAL 88 2HG1 VAL 88 0.577 5.329 -6.140 571 HG13 VAL 88 3HG1 VAL 88 -0.567 6.332 -7.066 572 HG21 VAL 88 3HG2 VAL 88 -2.988 6.385 -6.346 573 HG22 VAL 88 1HG2 VAL 88 -3.652 5.079 -5.362 574 HG23 VAL 88 2HG2 VAL 88 -2.653 6.316 -4.588 575 H VAL 89 H VAL 89 -0.500 3.960 -9.002 576 HA VAL 89 HA VAL 89 1.823 2.203 -8.281 577 HB VAL 89 HB VAL 89 0.627 2.864 -11.018 578 HG11 VAL 89 1HG1 VAL 89 3.027 1.140 -10.286 579 HG12 VAL 89 2HG1 VAL 89 2.260 1.167 -11.891 580 HG13 VAL 89 3HG1 VAL 89 3.036 2.625 -11.268 581 HG21 VAL 89 3HG2 VAL 89 0.672 0.199 -9.554 582 HG22 VAL 89 1HG2 VAL 89 -0.753 1.228 -9.788 583 HG23 VAL 89 2HG2 VAL 89 0.046 0.492 -11.192 584 H ARG 90 H ARG 90 3.779 3.199 -8.248 585 HA ARG 90 HA ARG 90 5.424 4.738 -8.417 586 HB3 ARG 90 1HB ARG 90 4.140 5.535 -11.036 587 HG3 ARG 90 1HG ARG 90 7.064 5.270 -10.178 588 HD3 ARG 90 1HD ARG 90 5.729 6.398 -12.670 589 HE ARG 90 HE ARG 90 8.441 6.737 -11.641 590 HH11 ARG 90 1HH1 ARG 90 6.542 6.666 -14.638 591 HH12 ARG 90 2HH1 ARG 90 7.671 7.679 -15.485 592 HH21 ARG 90 1HH2 ARG 90 9.874 8.018 -12.817 593 HH22 ARG 90 2HH2 ARG 90 9.547 8.391 -14.486 594 HA PRO 91 HA PRO 91 2.710 8.288 -6.819 595 HB3 PRO 91 1HB PRO 91 2.844 7.669 -4.676 596 HG3 PRO 91 1HG PRO 91 4.590 6.244 -3.890 597 HD3 PRO 91 1HD PRO 91 3.770 5.150 -5.845 598 H GLY 92 H GLY 92 3.069 10.173 -7.845 599 HA2 GLY 92 1HA GLY 92 5.780 11.019 -8.657 600 HA3 GLY 92 2HA GLY 92 4.235 11.788 -9.087 601 H SER 93 H SER 93 3.348 12.077 -6.319 602 HA SER 93 HA SER 93 5.106 13.543 -4.653 603 HB3 SER 93 1HB SER 93 3.213 15.340 -6.210 604 HG SER 93 HG SER 93 4.508 16.953 -5.124 605 H ALA 94 H ALA 94 3.814 14.652 -2.875 606 HA ALA 94 HA ALA 94 1.758 12.976 -1.843 607 HB1 ALA 94 3HB ALA 94 1.523 14.731 -0.148 608 HB2 ALA 94 1HB ALA 94 3.232 14.427 -0.475 609 HB3 ALA 94 2HB ALA 94 2.440 15.870 -1.169 610 H SER 95 H SER 95 1.478 15.869 -3.939 611 HA SER 95 HA SER 95 -1.341 16.227 -3.679 612 HB3 SER 95 1HB SER 95 0.067 17.887 -4.745 613 HG SER 95 HG SER 95 0.998 17.428 -6.820 614 H VAL 96 H VAL 96 0.437 13.735 -5.428 615 HA VAL 96 HA VAL 96 -1.954 12.816 -6.921 616 HB VAL 96 HB VAL 96 0.845 11.612 -6.729 617 HG11 VAL 96 1HG1 VAL 96 0.211 10.387 -8.794 618 HG12 VAL 96 2HG1 VAL 96 -0.756 9.919 -7.393 619 HG13 VAL 96 3HG1 VAL 96 -1.447 11.009 -8.621 620 HG21 VAL 96 3HG2 VAL 96 1.204 12.542 -8.995 621 HG22 VAL 96 1HG2 VAL 96 -0.349 13.400 -8.892 622 HG23 VAL 96 2HG2 VAL 96 0.983 13.814 -7.795 623 H LEU 97 H LEU 97 0.154 11.772 -4.207 624 HA LEU 97 HA LEU 97 -1.285 9.309 -3.786 625 HB3 LEU 97 1HB LEU 97 0.171 10.337 -1.450 626 HG LEU 97 HG LEU 97 0.763 8.094 -3.468 627 HD11 LEU 97 1HD1 LEU 97 1.905 8.496 -0.679 628 HD12 LEU 97 2HD1 LEU 97 2.768 8.697 -2.231 629 HD13 LEU 97 3HD1 LEU 97 2.172 7.116 -1.770 630 HD21 LEU 97 3HD2 LEU 97 -0.137 6.733 -1.392 631 HD22 LEU 97 1HD2 LEU 97 -1.292 7.492 -2.508 632 HD23 LEU 97 2HD2 LEU 97 -0.911 8.256 -0.966 633 H GLU 98 H GLU 98 -1.372 12.428 -1.985 634 HA GLU 98 HA GLU 98 -3.464 11.801 -0.196 635 HB3 GLU 98 1HB GLU 98 -3.930 14.265 -0.227 636 HG3 GLU 98 1HG GLU 98 -0.950 13.620 -0.047 637 H GLU 99 H GLU 99 -3.734 13.033 -3.573 638 HA GLU 99 HA GLU 99 -6.521 13.397 -3.676 639 HB3 GLU 99 1HB GLU 99 -4.462 12.616 -5.757 640 HG3 GLU 99 1HG GLU 99 -7.403 13.178 -6.179 641 H ALA 100 H ALA 100 -4.645 10.380 -4.166 642 HA ALA 100 HA ALA 100 -7.049 8.814 -4.719 643 HB1 ALA 100 3HB ALA 100 -4.836 8.215 -5.612 644 HB2 ALA 100 1HB ALA 100 -4.220 7.986 -3.959 645 HB3 ALA 100 2HB ALA 100 -5.489 6.905 -4.591 646 H PHE 101 H PHE 101 -5.151 9.603 -1.778 647 HA PHE 101 HA PHE 101 -6.323 7.567 -0.105 648 HB3 PHE 101 1HB PHE 101 -5.734 9.559 1.621 649 HD1 PHE 101 HD1 PHE 101 -3.225 7.857 -0.736 650 HD2 PHE 101 HD2 PHE 101 -5.021 8.036 3.211 651 HE1 PHE 101 HE1 PHE 101 -1.637 6.192 0.097 652 HE2 PHE 101 HE2 PHE 101 -3.388 6.342 3.999 653 HZ PHE 101 HZ PHE 101 -1.674 5.440 2.398 654 H GLU 102 H GLU 102 -7.141 11.049 -0.561 655 HA GLU 102 HA GLU 102 -9.440 10.965 1.135 656 HB3 GLU 102 1HB GLU 102 -8.724 13.097 0.723 657 HG3 GLU 102 1HG GLU 102 -8.435 12.390 -2.124 658 H SER 103 H SER 103 -9.038 10.174 -2.293 659 HA SER 103 HA SER 103 -11.825 9.926 -2.926 660 HB3 SER 103 1HB SER 103 -10.869 8.567 -4.854 661 HG SER 103 HG SER 103 -9.347 10.910 -4.639 662 H LEU 104 H LEU 104 -9.570 7.667 -1.354 663 HA LEU 104 HA LEU 104 -11.626 5.490 -1.474 664 HB3 LEU 104 1HB LEU 104 -9.662 4.113 -0.617 665 HG LEU 104 HG LEU 104 -8.793 3.568 -2.648 666 HD11 LEU 104 1HD1 LEU 104 -11.359 4.863 -3.604 667 HD12 LEU 104 2HD1 LEU 104 -11.361 3.466 -2.511 668 HD13 LEU 104 3HD1 LEU 104 -10.651 3.326 -4.106 669 HD21 LEU 104 3HD2 LEU 104 -8.785 5.006 -4.706 670 HD22 LEU 104 1HD2 LEU 104 -7.728 5.557 -3.415 671 HD23 LEU 104 2HD2 LEU 104 -9.302 6.361 -3.720 672 H VAL 105 H VAL 105 -10.144 7.676 0.816 673 HA VAL 105 HA VAL 105 -11.188 6.264 3.109 674 HB VAL 105 HB VAL 105 -9.337 8.154 2.930 675 HG11 VAL 105 1HG1 VAL 105 -10.977 9.930 2.199 676 HG12 VAL 105 2HG1 VAL 105 -11.712 9.840 3.808 677 HG13 VAL 105 3HG1 VAL 105 -10.037 10.358 3.633 678 HG21 VAL 105 3HG2 VAL 105 -9.960 6.824 4.925 679 HG22 VAL 105 1HG2 VAL 105 -9.407 8.474 5.257 680 HG23 VAL 105 2HG2 VAL 105 -11.145 8.070 5.346 681 H GLY 106 H GLY 106 -12.545 8.434 0.745 682 HA2 GLY 106 1HA GLY 106 -14.852 8.623 0.320 683 HA3 GLY 106 2HA GLY 106 -15.231 8.352 2.044 684 H GLU 107 H GLU 107 -12.666 10.610 1.422 685 HA GLU 107 HA GLU 107 -14.392 12.904 2.216 686 HB3 GLU 107 1HB GLU 107 -12.008 13.948 2.463 687 HG3 GLU 107 1HG GLU 107 -11.585 12.727 4.643 688 H GLY 108 H GLY 108 -12.853 11.611 -0.615 689 HA2 GLY 108 1HA GLY 108 -12.205 14.050 -1.948 690 HA3 GLY 108 2HA GLY 108 -12.394 12.467 -2.718 Start of MODEL 3 1 H1 MET 1 H MET 1 2.869 3.673 13.578 2 HA MET 1 HA MET 1 3.079 2.424 11.602 3 HB3 MET 1 1HB MET 1 2.244 3.684 9.647 4 HG3 MET 1 1HG MET 1 0.862 4.525 12.232 5 HE1 MET 1 3HE MET 1 -0.699 2.532 9.357 6 HE2 MET 1 1HE MET 1 -1.491 3.752 8.339 7 HE3 MET 1 2HE MET 1 0.272 3.598 8.320 8 H LYS 2 H LYS 2 5.531 4.563 12.235 9 HA LYS 2 HA LYS 2 6.901 4.735 9.718 10 HB3 LYS 2 1HB LYS 2 8.746 5.649 11.134 11 HG3 LYS 2 1HG LYS 2 6.003 6.739 11.898 12 HD3 LYS 2 1HD LYS 2 8.737 8.084 11.757 13 HE3 LYS 2 1HE LYS 2 5.961 9.131 12.512 14 HZ1 LYS 2 3HZ LYS 2 8.585 10.536 12.467 15 HZ2 LYS 2 1HZ LYS 2 7.745 10.150 13.820 16 HZ3 LYS 2 2HZ LYS 2 7.145 11.239 12.767 17 H THR 3 H THR 3 6.573 1.982 11.515 18 HA THR 3 HA THR 3 9.094 0.721 11.637 19 HB THR 3 HB THR 3 6.403 -0.600 11.090 20 HG1 THR 3 HG1 THR 3 7.533 0.204 13.577 21 HG21 THR 3 3HG2 THR 3 7.305 -2.368 12.640 22 HG22 THR 3 1HG2 THR 3 8.878 -1.547 12.595 23 HG23 THR 3 2HG2 THR 3 8.194 -2.254 11.115 24 H ARG 4 H ARG 4 10.124 -0.817 10.319 25 HA ARG 4 HA ARG 4 10.168 -0.228 7.509 26 HB3 ARG 4 1HB ARG 4 11.915 -1.980 7.437 27 HG3 ARG 4 1HG ARG 4 12.189 -0.152 9.886 28 HD3 ARG 4 1HD ARG 4 14.622 -0.260 9.294 29 HE ARG 4 HE ARG 4 13.195 -2.157 10.755 30 HH11 ARG 4 1HH1 ARG 4 16.270 -2.132 9.011 31 HH12 ARG 4 2HH1 ARG 4 16.976 -3.348 10.038 32 HH21 ARG 4 1HH2 ARG 4 14.167 -3.734 12.052 33 HH22 ARG 4 2HH2 ARG 4 15.800 -4.236 11.736 34 H TYR 5 H TYR 5 10.253 -2.051 5.858 35 HA TYR 5 HA TYR 5 7.718 -3.252 5.512 36 HB3 TYR 5 1HB TYR 5 9.073 -4.650 3.759 37 HD1 TYR 5 HD1 TYR 5 7.089 -3.904 2.647 38 HD2 TYR 5 HD2 TYR 5 10.268 -1.157 3.545 39 HE1 TYR 5 HE1 TYR 5 6.179 -2.286 0.943 40 HE2 TYR 5 HE2 TYR 5 9.407 0.419 1.832 41 HH TYR 5 HH TYR 5 6.611 -0.358 -0.258 42 H SER 6 H SER 6 7.001 -5.429 5.335 43 HA SER 6 HA SER 6 8.381 -7.309 7.185 44 HB3 SER 6 1HB SER 6 6.057 -8.125 7.698 45 HG SER 6 HG SER 6 5.556 -6.309 9.023 46 H ALA 7 H ALA 7 8.892 -9.295 6.434 47 HA ALA 7 HA ALA 7 8.058 -10.174 3.763 48 HB1 ALA 7 3HB ALA 7 10.371 -10.456 4.619 49 HB2 ALA 7 1HB ALA 7 9.764 -11.527 5.908 50 HB3 ALA 7 2HB ALA 7 9.620 -12.006 4.210 51 H GLU 8 H GLU 8 7.074 -10.836 7.046 52 HA GLU 8 HA GLU 8 5.759 -13.375 6.473 53 HB3 GLU 8 1HB GLU 8 5.072 -13.268 8.836 54 HG3 GLU 8 1HG GLU 8 8.003 -12.519 8.487 55 H ALA 9 H ALA 9 4.733 -11.523 4.707 56 HA ALA 9 HA ALA 9 2.242 -10.351 5.585 57 HB1 ALA 9 3HB ALA 9 3.299 -10.999 2.791 58 HB2 ALA 9 1HB ALA 9 1.867 -10.027 3.140 59 HB3 ALA 9 2HB ALA 9 3.458 -9.449 3.673 60 HA PRO 10 HA PRO 10 -0.555 -13.827 5.167 61 HB3 PRO 10 1HB PRO 10 -2.183 -12.393 5.956 62 HG3 PRO 10 1HG PRO 10 -2.359 -10.116 5.126 63 HD3 PRO 10 1HD PRO 10 -0.220 -10.460 6.095 64 H ALA 11 H ALA 11 -1.763 -15.060 3.608 65 HA ALA 11 HA ALA 11 -1.045 -14.719 0.755 66 HB1 ALA 11 3HB ALA 11 -1.073 -16.988 1.766 67 HB2 ALA 11 1HB ALA 11 -2.781 -16.788 2.194 68 HB3 ALA 11 2HB ALA 11 -2.288 -16.850 0.487 69 H ARG 12 H ARG 12 -2.722 -14.449 -0.881 70 HA ARG 12 HA ARG 12 -4.476 -12.327 -0.270 71 HB3 ARG 12 1HB ARG 12 -5.061 -13.908 -2.740 72 HG3 ARG 12 1HG ARG 12 -4.247 -11.623 -3.711 73 HD3 ARG 12 1HD ARG 12 -6.712 -12.350 -3.603 74 HE ARG 12 HE ARG 12 -7.020 -11.811 -1.158 75 HH11 ARG 12 1HH1 ARG 12 -7.632 -9.252 -3.559 76 HH12 ARG 12 2HH1 ARG 12 -8.746 -8.443 -2.487 77 HH21 ARG 12 1HH2 ARG 12 -8.391 -10.635 0.135 78 HH22 ARG 12 2HH2 ARG 12 -9.153 -9.191 -0.482 79 H ASP 13 H ASP 13 -5.151 -15.811 -0.270 80 HA ASP 13 HA ASP 13 -8.004 -15.652 -0.024 81 HB3 ASP 13 1HB ASP 13 -6.086 -17.727 1.106 82 H GLU 14 H GLU 14 -5.403 -15.561 2.451 83 HA GLU 14 HA GLU 14 -7.236 -15.408 4.696 84 HB3 GLU 14 1HB GLU 14 -4.257 -14.747 4.553 85 HG3 GLU 14 1HG GLU 14 -6.130 -15.457 6.855 86 H LEU 15 H LEU 15 -5.513 -13.064 2.650 87 HA LEU 15 HA LEU 15 -6.170 -10.653 4.046 88 HB3 LEU 15 1HB LEU 15 -5.909 -11.063 1.049 89 HG LEU 15 HG LEU 15 -6.310 -8.697 2.107 90 HD11 LEU 15 1HD1 LEU 15 -3.309 -9.018 2.601 91 HD12 LEU 15 2HD1 LEU 15 -4.522 -8.992 3.910 92 HD13 LEU 15 3HD1 LEU 15 -4.274 -7.563 2.868 93 HD21 LEU 15 3HD2 LEU 15 -5.693 -9.002 -0.211 94 HD22 LEU 15 1HD2 LEU 15 -4.008 -9.355 0.248 95 HD23 LEU 15 2HD2 LEU 15 -4.688 -7.732 0.493 96 H ASP 16 H ASP 16 -8.025 -12.649 1.744 97 HA ASP 16 HA ASP 16 -10.180 -10.771 1.337 98 HB3 ASP 16 1HB ASP 16 -10.184 -13.790 1.049 99 H ARG 17 H ARG 17 -9.355 -12.522 4.142 100 HA ARG 17 HA ARG 17 -12.077 -12.662 5.236 101 HB3 ARG 17 1HB ARG 17 -11.003 -13.205 7.333 102 HG3 ARG 17 1HG ARG 17 -9.773 -15.211 6.828 103 HD3 ARG 17 1HD ARG 17 -11.749 -15.042 4.525 104 HE ARG 17 HE ARG 17 -11.920 -17.271 6.352 105 HH11 ARG 17 1HH1 ARG 17 -9.862 -16.192 3.645 106 HH12 ARG 17 2HH1 ARG 17 -9.398 -17.818 3.257 107 HH21 ARG 17 1HH2 ARG 17 -11.270 -19.334 5.748 108 HH22 ARG 17 2HH2 ARG 17 -10.191 -19.541 4.398 109 H LEU 18 H LEU 18 -9.702 -10.111 4.811 110 HA LEU 18 HA LEU 18 -10.605 -8.572 7.112 111 HB3 LEU 18 1HB LEU 18 -8.318 -8.462 6.039 112 HG LEU 18 HG LEU 18 -9.215 -7.661 3.670 113 HD11 LEU 18 1HD1 LEU 18 -10.534 -5.722 4.269 114 HD12 LEU 18 2HD1 LEU 18 -9.089 -5.174 3.429 115 HD13 LEU 18 3HD1 LEU 18 -9.191 -5.030 5.199 116 HD21 LEU 18 3HD2 LEU 18 -6.830 -7.880 4.358 117 HD22 LEU 18 1HD2 LEU 18 -6.905 -6.264 5.103 118 HD23 LEU 18 2HD2 LEU 18 -7.083 -6.443 3.345 119 H ALA 19 H ALA 19 -11.681 -6.507 7.087 120 HA ALA 19 HA ALA 19 -13.515 -6.064 4.755 121 HB1 ALA 19 3HB ALA 19 -14.665 -7.304 6.556 122 HB2 ALA 19 1HB ALA 19 -14.261 -6.014 7.709 123 HB3 ALA 19 2HB ALA 19 -15.345 -5.685 6.342 124 H GLY 20 H GLY 20 -11.422 -4.528 7.113 125 HA2 GLY 20 1HA GLY 20 -12.688 -1.922 6.908 126 HA3 GLY 20 2HA GLY 20 -11.164 -2.302 7.740 127 HA PRO 21 HA PRO 21 -10.229 -0.005 3.734 128 HB3 PRO 21 1HB PRO 21 -11.172 2.020 4.291 129 HG3 PRO 21 1HG PRO 21 -11.489 2.655 6.557 130 HD3 PRO 21 1HD PRO 21 -12.465 0.513 6.495 131 H THR 22 H THR 22 -8.407 -1.083 3.308 132 HA THR 22 HA THR 22 -5.957 -0.662 4.998 133 HB THR 22 HB THR 22 -7.003 -3.281 3.833 134 HG1 THR 22 HG1 THR 22 -7.018 -3.822 6.065 135 HG21 THR 22 3HG2 THR 22 -5.013 -4.287 5.007 136 HG22 THR 22 1HG2 THR 22 -4.402 -2.660 5.329 137 HG23 THR 22 2HG2 THR 22 -4.542 -3.254 3.659 138 H LEU 23 H LEU 23 -4.440 0.270 3.828 139 HA LEU 23 HA LEU 23 -4.301 -0.127 0.906 140 HB3 LEU 23 1HB LEU 23 -2.551 1.450 2.838 141 HG LEU 23 HG LEU 23 -1.308 1.068 0.792 142 HD11 LEU 23 1HD1 LEU 23 -2.710 0.422 -0.862 143 HD12 LEU 23 2HD1 LEU 23 -2.474 2.092 -1.382 144 HD13 LEU 23 3HD1 LEU 23 -3.932 1.656 -0.504 145 HD21 LEU 23 3HD2 LEU 23 -2.549 3.828 0.764 146 HD22 LEU 23 1HD2 LEU 23 -1.015 3.362 -0.001 147 HD23 LEU 23 2HD2 LEU 23 -1.176 3.294 1.761 148 H VAL 24 H VAL 24 -3.076 -1.738 0.041 149 HA VAL 24 HA VAL 24 -0.972 -3.019 1.738 150 HB VAL 24 HB VAL 24 -2.205 -4.182 -0.800 151 HG11 VAL 24 1HG1 VAL 24 0.058 -5.036 -0.189 152 HG12 VAL 24 2HG1 VAL 24 -0.539 -5.428 1.428 153 HG13 VAL 24 3HG1 VAL 24 -1.189 -6.282 0.009 154 HG21 VAL 24 3HG2 VAL 24 -2.957 -4.732 2.109 155 HG22 VAL 24 1HG2 VAL 24 -4.014 -4.073 0.832 156 HG23 VAL 24 2HG2 VAL 24 -3.444 -5.736 0.726 157 H GLU 25 H GLU 25 1.018 -2.472 1.348 158 HA GLU 25 HA GLU 25 1.769 -1.226 -1.258 159 HB3 GLU 25 1HB GLU 25 2.773 -0.762 1.565 160 HG3 GLU 25 1HG GLU 25 3.743 0.472 -1.039 161 H PHE 26 H PHE 26 3.430 -1.956 -2.366 162 HA PHE 26 HA PHE 26 4.982 -4.298 -1.341 163 HB3 PHE 26 1HB PHE 26 5.087 -5.013 -3.661 164 HD1 PHE 26 HD2 PHE 26 3.771 -6.697 -2.312 165 HD2 PHE 26 HD1 PHE 26 1.902 -3.234 -4.067 166 HE1 PHE 26 HE2 PHE 26 1.524 -7.667 -1.863 167 HE2 PHE 26 HE1 PHE 26 -0.333 -4.216 -3.617 168 HZ PHE 26 HZ PHE 26 -0.518 -6.401 -2.492 169 H GLY 27 H GLY 27 7.163 -4.165 -1.264 170 HA2 GLY 27 1HA GLY 27 8.966 -2.805 -2.880 171 HA3 GLY 27 2HA GLY 27 8.478 -1.618 -1.685 172 H THR 28 H THR 28 10.741 -1.612 -0.964 173 HA THR 28 HA THR 28 11.209 -3.568 1.201 174 HB THR 28 HB THR 28 13.547 -3.890 0.680 175 HG1 THR 28 HG1 THR 28 14.269 -3.253 -1.434 176 HG21 THR 28 3HG2 THR 28 11.891 -4.684 -1.740 177 HG22 THR 28 1HG2 THR 28 11.967 -5.566 -0.207 178 HG23 THR 28 2HG2 THR 28 13.421 -5.404 -1.220 179 H ASP 29 H ASP 29 13.262 -2.788 2.472 180 HA ASP 29 HA ASP 29 12.672 -0.006 3.240 181 HB3 ASP 29 1HB ASP 29 14.647 -2.077 4.311 182 H TRP 30 H TRP 30 14.665 -1.400 0.919 183 HA TRP 30 HA TRP 30 16.873 0.590 1.220 184 HB3 TRP 30 1HB TRP 30 17.577 -1.457 2.101 185 HD1 TRP 30 HD TRP 30 16.189 -3.567 2.594 186 HE1 TRP 30 HE1 TRP 30 15.639 -5.726 1.306 187 HE3 TRP 30 HE3 TRP 30 17.737 -2.142 -2.076 188 HZ2 TRP 30 HZ2 TRP 30 15.768 -6.672 -1.412 189 HZ3 TRP 30 HZ3 TRP 30 17.517 -3.676 -3.989 190 HH2 TRP 30 HH TRP 30 16.524 -5.951 -3.682 191 H CYS 31 H CYS 31 14.581 -0.582 -1.145 192 HA CYS 31 HA CYS 31 16.255 0.031 -3.447 193 HB2 CYS 31 1HB CYS 31 14.346 -1.494 -3.615 194 HB3 CYS 31 2HB CYS 31 13.234 -0.178 -3.216 195 H GLY 32 H GLY 32 16.340 1.862 -4.676 196 HA2 GLY 32 1HA GLY 32 15.992 4.462 -3.496 197 HA3 GLY 32 2HA GLY 32 16.403 4.116 -5.174 198 H HIS 33 H HIS 33 13.816 2.479 -5.472 199 HA HIS 33 HA HIS 33 11.899 4.585 -6.116 200 HB2 HIS 33 1HB HIS 33 11.669 1.566 -5.668 201 HB3 HIS 33 2HB HIS 33 10.320 2.583 -6.085 202 HD1 HIS 33 HD1 HIS 33 12.035 0.193 -7.829 203 HD2 HIS 33 HD2 HIS 33 11.168 4.254 -8.495 204 HE1 HIS 33 HE1 HIS 33 11.782 0.479 -10.357 205 H CYS 34 H CYS 34 12.235 2.263 -3.408 206 HA CYS 34 HA CYS 34 9.948 3.188 -1.911 207 HB3 CYS 34 1HB CYS 34 11.429 1.968 -0.051 208 HG CYS 34 HG CYS 34 9.100 1.108 -0.867 209 H GLN 35 H GLN 35 13.356 4.230 -1.881 210 HA GLN 35 HA GLN 35 13.119 5.675 0.575 211 HB3 GLN 35 1HB GLN 35 15.122 6.921 -0.084 212 HG3 GLN 35 1HG GLN 35 16.702 5.233 -0.504 213 HE21 GLN 35 2HE2 GLN 35 14.701 2.540 -0.256 214 HE22 GLN 35 1HE2 GLN 35 14.822 2.377 1.505 215 H ALA 36 H ALA 36 12.020 6.434 -2.599 216 HA ALA 36 HA ALA 36 11.435 9.288 -2.060 217 HB1 ALA 36 3HB ALA 36 12.278 8.555 -4.275 218 HB2 ALA 36 1HB ALA 36 10.882 7.472 -4.457 219 HB3 ALA 36 2HB ALA 36 10.646 9.227 -4.404 220 H ALA 37 H ALA 37 9.671 6.179 -2.349 221 HA ALA 37 HA ALA 37 7.071 7.526 -2.149 222 HB1 ALA 37 3HB ALA 37 7.791 4.572 -2.293 223 HB2 ALA 37 1HB ALA 37 6.155 5.285 -2.465 224 HB3 ALA 37 2HB ALA 37 7.401 5.632 -3.678 225 H GLN 38 H GLN 38 9.218 5.813 0.088 226 HA GLN 38 HA GLN 38 7.253 5.251 2.109 227 HB3 GLN 38 1HB GLN 38 9.341 5.351 3.636 228 HG3 GLN 38 1HG GLN 38 10.258 3.217 2.894 229 HE21 GLN 38 2HE2 GLN 38 7.378 2.758 1.002 230 HE22 GLN 38 1HE2 GLN 38 6.384 2.072 2.246 231 HA PRO 39 HA PRO 39 8.111 9.419 4.199 232 HB3 PRO 39 1HB PRO 39 10.218 10.271 3.807 233 HG3 PRO 39 1HG PRO 39 11.256 10.087 1.663 234 HD3 PRO 39 1HD PRO 39 10.691 7.907 2.366 235 H LEU 40 H LEU 40 7.135 8.969 0.905 236 HA LEU 40 HA LEU 40 5.352 11.258 0.691 237 HB3 LEU 40 1HB LEU 40 4.680 8.811 -0.855 238 HG LEU 40 HG LEU 40 4.732 10.034 -2.753 239 HD11 LEU 40 1HD1 LEU 40 3.257 11.794 -2.430 240 HD12 LEU 40 2HD1 LEU 40 3.992 12.295 -0.882 241 HD13 LEU 40 3HD1 LEU 40 3.004 10.829 -0.971 242 HD21 LEU 40 3HD2 LEU 40 6.451 12.145 -1.403 243 HD22 LEU 40 1HD2 LEU 40 5.812 12.245 -3.057 244 HD23 LEU 40 2HD2 LEU 40 6.969 10.965 -2.634 245 H LEU 41 H LEU 41 4.859 7.731 1.192 246 HA LEU 41 HA LEU 41 2.104 7.875 1.819 247 HB3 LEU 41 1HB LEU 41 2.743 5.655 3.153 248 HG LEU 41 HG LEU 41 2.522 4.284 1.278 249 HD11 LEU 41 1HD1 LEU 41 0.908 6.747 0.567 250 HD12 LEU 41 2HD1 LEU 41 0.512 5.576 1.840 251 HD13 LEU 41 3HD1 LEU 41 0.567 5.074 0.141 252 HD21 LEU 41 3HD2 LEU 41 2.770 5.145 -1.058 253 HD22 LEU 41 1HD2 LEU 41 4.272 5.089 -0.132 254 HD23 LEU 41 2HD2 LEU 41 3.475 6.635 -0.378 255 H ALA 42 H ALA 42 4.970 7.984 3.907 256 HA ALA 42 HA ALA 42 3.688 8.106 6.429 257 HB1 ALA 42 3HB ALA 42 6.123 7.820 6.047 258 HB2 ALA 42 1HB ALA 42 6.233 9.520 5.519 259 HB3 ALA 42 2HB ALA 42 5.787 9.141 7.198 260 H GLU 43 H GLU 43 4.261 10.777 4.107 261 HA GLU 43 HA GLU 43 3.282 12.856 5.889 262 HB3 GLU 43 1HB GLU 43 3.152 14.157 3.668 263 HG3 GLU 43 1HG GLU 43 5.706 14.107 3.405 264 H VAL 44 H VAL 44 1.782 11.101 3.099 265 HA VAL 44 HA VAL 44 -0.724 12.455 3.406 266 HB VAL 44 HB VAL 44 -0.371 11.550 1.335 267 HG11 VAL 44 1HG1 VAL 44 1.136 9.739 1.770 268 HG12 VAL 44 2HG1 VAL 44 -0.188 8.733 2.410 269 HG13 VAL 44 3HG1 VAL 44 -0.169 9.282 0.715 270 HG21 VAL 44 3HG2 VAL 44 -2.425 9.706 2.603 271 HG22 VAL 44 1HG2 VAL 44 -2.737 11.380 2.162 272 HG23 VAL 44 2HG2 VAL 44 -2.337 10.208 0.895 273 H PHE 45 H PHE 45 0.288 9.214 4.618 274 HA PHE 45 HA PHE 45 -2.149 8.456 5.823 275 HB3 PHE 45 1HB PHE 45 -0.305 7.333 7.524 276 HD1 PHE 45 HD1 PHE 45 -2.609 6.162 7.143 277 HD2 PHE 45 HD2 PHE 45 0.733 5.926 4.410 278 HE1 PHE 45 HE1 PHE 45 -3.415 3.979 6.291 279 HE2 PHE 45 HE2 PHE 45 -0.084 3.764 3.603 280 HZ PHE 45 HZ PHE 45 -2.179 2.787 4.519 281 H SER 46 H SER 46 0.192 10.765 7.074 282 HA SER 46 HA SER 46 -0.636 10.744 9.820 283 HB3 SER 46 1HB SER 46 0.359 13.041 9.875 284 HG SER 46 HG SER 46 2.060 11.249 8.450 285 H ASP 47 H ASP 47 -2.335 11.988 7.014 286 HA ASP 47 HA ASP 47 -4.228 13.493 8.752 287 HB3 ASP 47 1HB ASP 47 -4.210 13.333 5.730 288 H TYR 48 H TYR 48 -3.842 10.378 7.521 289 HA TYR 48 HA TYR 48 -6.766 9.805 7.693 290 HB3 TYR 48 1HB TYR 48 -6.633 8.290 5.818 291 HD1 TYR 48 HD2 TYR 48 -8.233 10.246 5.425 292 HD2 TYR 48 HD1 TYR 48 -4.082 10.340 4.352 293 HE1 TYR 48 HE2 TYR 48 -8.673 12.188 3.931 294 HE2 TYR 48 HE1 TYR 48 -4.453 12.405 3.024 295 HH TYR 48 HH TYR 48 -6.005 13.923 2.249 296 HA PRO 49 HA PRO 49 -3.871 6.975 10.220 297 HB3 PRO 49 1HB PRO 49 -3.474 8.423 11.965 298 HG3 PRO 49 1HG PRO 49 -5.013 10.157 12.503 299 HD3 PRO 49 1HD PRO 49 -4.488 10.358 10.208 300 H GLU 50 H GLU 50 -7.355 7.350 9.976 301 HA GLU 50 HA GLU 50 -8.030 4.852 11.291 302 HB3 GLU 50 1HB GLU 50 -9.643 6.625 11.203 303 HG3 GLU 50 1HG GLU 50 -10.977 6.607 8.963 304 H VAL 51 H VAL 51 -6.598 5.528 8.233 305 HA VAL 51 HA VAL 51 -7.518 3.008 6.962 306 HB VAL 51 HB VAL 51 -5.433 5.008 6.013 307 HG11 VAL 51 1HG1 VAL 51 -5.734 3.900 3.806 308 HG12 VAL 51 2HG1 VAL 51 -5.038 2.812 5.002 309 HG13 VAL 51 3HG1 VAL 51 -6.752 2.661 4.571 310 HG21 VAL 51 3HG2 VAL 51 -7.146 5.713 4.378 311 HG22 VAL 51 1HG2 VAL 51 -8.329 4.654 5.159 312 HG23 VAL 51 2HG2 VAL 51 -7.656 6.045 6.046 313 H GLY 52 H GLY 52 -6.308 1.133 6.963 314 HA2 GLY 52 1HA GLY 52 -3.912 0.926 8.718 315 HA3 GLY 52 2HA GLY 52 -4.826 -0.409 7.977 316 H HIS 53 H HIS 53 -1.909 -0.003 7.962 317 HA HIS 53 HA HIS 53 -1.562 -0.038 4.999 318 HB2 HIS 53 1HB HIS 53 -0.509 1.977 6.332 319 HB3 HIS 53 2HB HIS 53 0.678 0.806 6.854 320 HD1 HIS 53 HD1 HIS 53 2.491 2.320 5.386 321 HD2 HIS 53 HD2 HIS 53 -0.613 0.514 3.209 322 HE1 HIS 53 HE1 HIS 53 3.087 2.517 2.886 323 H LEU 54 H LEU 54 -0.812 -1.930 4.236 324 HA LEU 54 HA LEU 54 0.707 -3.773 6.042 325 HB3 LEU 54 1HB LEU 54 -1.097 -4.307 3.643 326 HG LEU 54 HG LEU 54 0.676 -5.981 3.551 327 HD11 LEU 54 1HD1 LEU 54 1.538 -5.934 5.854 328 HD12 LEU 54 2HD1 LEU 54 1.042 -7.573 5.428 329 HD13 LEU 54 3HD1 LEU 54 0.000 -6.581 6.477 330 HD21 LEU 54 3HD2 LEU 54 -1.852 -7.148 4.797 331 HD22 LEU 54 1HD2 LEU 54 -0.701 -7.966 3.715 332 HD23 LEU 54 2HD2 LEU 54 -1.688 -6.631 3.104 333 H LYS 55 H LYS 55 2.777 -3.300 5.721 334 HA LYS 55 HA LYS 55 3.862 -2.667 3.049 335 HB3 LYS 55 1HB LYS 55 5.986 -2.728 4.695 336 HG3 LYS 55 1HG LYS 55 3.974 -0.557 4.226 337 HD3 LYS 55 1HD LYS 55 5.755 1.031 4.831 338 HE3 LYS 55 1HE LYS 55 5.109 -0.698 7.258 339 HZ1 LYS 55 3HZ LYS 55 6.421 1.226 7.717 340 HZ2 LYS 55 1HZ LYS 55 4.912 1.575 8.238 341 HZ3 LYS 55 2HZ LYS 55 5.456 2.219 6.839 342 H VAL 56 H VAL 56 3.834 -4.443 1.794 343 HA VAL 56 HA VAL 56 4.933 -7.053 2.720 344 HB VAL 56 HB VAL 56 3.904 -6.202 -0.017 345 HG11 VAL 56 1HG1 VAL 56 3.723 -8.620 -0.481 346 HG12 VAL 56 2HG1 VAL 56 5.380 -8.187 -0.117 347 HG13 VAL 56 3HG1 VAL 56 4.392 -8.982 1.127 348 HG21 VAL 56 3HG2 VAL 56 2.053 -6.040 1.575 349 HG22 VAL 56 1HG2 VAL 56 1.837 -7.429 0.515 350 HG23 VAL 56 2HG2 VAL 56 2.404 -7.670 2.184 351 H GLU 57 H GLU 57 6.916 -7.372 2.807 352 HA GLU 57 HA GLU 57 8.898 -5.940 1.282 353 HB3 GLU 57 1HB GLU 57 9.250 -8.604 2.685 354 HG3 GLU 57 1HG GLU 57 11.064 -6.209 2.432 355 H ASP 58 H ASP 58 9.259 -6.258 -0.891 356 HA ASP 58 HA ASP 58 8.132 -8.483 -2.332 357 HB3 ASP 58 1HB ASP 58 10.167 -6.408 -3.200 358 H GLY 59 H GLY 59 9.139 -10.159 -3.473 359 HA2 GLY 59 1HA GLY 59 11.970 -10.814 -2.976 360 HA3 GLY 59 2HA GLY 59 10.799 -11.924 -2.273 361 HA PRO 60 HA PRO 60 11.644 -12.710 -6.896 362 HB3 PRO 60 1HB PRO 60 13.928 -13.044 -6.726 363 HG3 PRO 60 1HG PRO 60 14.920 -13.938 -4.747 364 HD3 PRO 60 1HD PRO 60 13.666 -12.078 -4.035 365 H GLY 61 H GLY 61 11.121 -15.059 -4.239 366 HA2 GLY 61 1HA GLY 61 9.568 -16.878 -6.032 367 HA3 GLY 61 2HA GLY 61 10.183 -17.252 -4.414 368 H ARG 62 H ARG 62 7.467 -16.357 -6.156 369 HA ARG 62 HA ARG 62 5.342 -15.714 -5.660 370 HB3 ARG 62 1HB ARG 62 4.340 -16.805 -3.676 371 HG3 ARG 62 1HG ARG 62 6.272 -18.572 -5.246 372 HD3 ARG 62 1HD ARG 62 3.678 -19.151 -3.763 373 HE ARG 62 HE ARG 62 3.463 -20.729 -5.411 374 HH11 ARG 62 1HH1 ARG 62 6.875 -20.761 -4.457 375 HH12 ARG 62 2HH1 ARG 62 7.199 -22.202 -5.368 376 HH21 ARG 62 1HH2 ARG 62 3.961 -22.556 -6.572 377 HH22 ARG 62 2HH2 ARG 62 5.588 -23.180 -6.575 378 H ARG 63 H ARG 63 4.752 -15.282 -2.524 379 HA ARG 63 HA ARG 63 4.415 -13.618 -1.107 380 HB3 ARG 63 1HB ARG 63 5.584 -11.498 -1.087 381 HG3 ARG 63 1HG ARG 63 7.636 -13.657 -1.675 382 HD3 ARG 63 1HD ARG 63 7.511 -11.426 0.391 383 HE ARG 63 HE ARG 63 9.236 -13.680 0.267 384 HH11 ARG 63 1HH1 ARG 63 9.437 -10.174 0.720 385 HH12 ARG 63 2HH1 ARG 63 10.910 -10.289 1.670 386 HH21 ARG 63 1HH2 ARG 63 11.147 -13.735 1.518 387 HH22 ARG 63 2HH2 ARG 63 11.822 -12.239 2.099 388 H LEU 64 H LEU 64 3.205 -11.716 -0.912 389 HA LEU 64 HA LEU 64 0.853 -12.050 -2.313 390 HB3 LEU 64 1HB LEU 64 1.766 -9.727 -0.597 391 HG LEU 64 HG LEU 64 -0.480 -9.282 -1.461 392 HD11 LEU 64 1HD1 LEU 64 -2.372 -10.882 -0.816 393 HD12 LEU 64 2HD1 LEU 64 -1.134 -12.068 -0.397 394 HD13 LEU 64 3HD1 LEU 64 -1.306 -11.495 -2.074 395 HD21 LEU 64 3HD2 LEU 64 -1.668 -9.118 0.710 396 HD22 LEU 64 1HD2 LEU 64 0.024 -8.644 0.840 397 HD23 LEU 64 2HD2 LEU 64 -0.491 -10.236 1.427 398 H GLY 65 H GLY 65 3.339 -9.614 -3.156 399 HA2 GLY 65 1HA GLY 65 1.760 -8.021 -4.878 400 HA3 GLY 65 2HA GLY 65 3.518 -8.225 -4.998 401 H ARG 66 H ARG 66 3.133 -11.193 -5.505 402 HA ARG 66 HA ARG 66 2.832 -11.265 -8.379 403 HB3 ARG 66 1HB ARG 66 2.715 -13.484 -6.290 404 HG3 ARG 66 1HG ARG 66 3.356 -13.604 -9.277 405 HD3 ARG 66 1HD ARG 66 3.440 -15.718 -7.073 406 HE ARG 66 HE ARG 66 4.246 -16.365 -9.820 407 HH11 ARG 66 1HH1 ARG 66 1.582 -16.644 -7.508 408 HH12 ARG 66 2HH1 ARG 66 0.913 -18.025 -8.318 409 HH21 ARG 66 1HH2 ARG 66 3.327 -18.131 -10.812 410 HH22 ARG 66 2HH2 ARG 66 1.885 -18.853 -10.164 411 H SER 67 H SER 67 0.637 -12.129 -5.660 412 HA SER 67 HA SER 67 -1.557 -12.992 -7.352 413 HB3 SER 67 1HB SER 67 -2.788 -13.127 -5.271 414 HG SER 67 HG SER 67 -1.366 -14.510 -4.127 415 H PHE 68 H PHE 68 -0.537 -9.876 -6.070 416 HA PHE 68 HA PHE 68 -3.047 -8.519 -6.648 417 HB3 PHE 68 1HB PHE 68 -1.225 -6.542 -6.223 418 HD1 PHE 68 HD2 PHE 68 -1.448 -9.077 -3.526 419 HD2 PHE 68 HD1 PHE 68 -3.261 -5.652 -5.342 420 HE1 PHE 68 HE2 PHE 68 -2.749 -8.706 -1.460 421 HE2 PHE 68 HE1 PHE 68 -4.608 -5.269 -3.271 422 HZ PHE 68 HZ PHE 68 -4.354 -6.767 -1.352 423 H GLN 69 H GLN 69 -0.437 -9.503 -8.596 424 HA GLN 69 HA GLN 69 0.330 -8.980 -10.679 425 HB3 GLN 69 1HB GLN 69 -1.181 -8.238 -12.372 426 HG3 GLN 69 1HG GLN 69 -1.906 -10.446 -10.753 427 HE21 GLN 69 2HE2 GLN 69 -3.400 -9.989 -8.966 428 HE22 GLN 69 1HE2 GLN 69 -5.049 -9.518 -9.287 429 H VAL 70 H VAL 70 1.372 -7.468 -8.775 430 HA VAL 70 HA VAL 70 1.022 -4.701 -8.755 431 HB VAL 70 HB VAL 70 3.352 -6.476 -8.089 432 HG11 VAL 70 1HG1 VAL 70 4.453 -4.465 -6.986 433 HG12 VAL 70 2HG1 VAL 70 4.558 -4.486 -8.746 434 HG13 VAL 70 3HG1 VAL 70 3.372 -3.432 -7.944 435 HG21 VAL 70 3HG2 VAL 70 1.603 -4.614 -6.431 436 HG22 VAL 70 1HG2 VAL 70 1.319 -6.351 -6.641 437 HG23 VAL 70 2HG2 VAL 70 2.787 -5.802 -5.818 438 H LYS 71 H LYS 71 1.477 -3.035 -9.965 439 HA LYS 71 HA LYS 71 1.818 -3.796 -12.698 440 HB3 LYS 71 1HB LYS 71 1.257 -1.001 -11.627 441 HG3 LYS 71 1HG LYS 71 1.286 -1.141 -14.083 442 HD3 LYS 71 1HD LYS 71 0.758 -3.437 -14.628 443 HE3 LYS 71 1HE LYS 71 -1.928 -2.960 -13.261 444 HZ1 LYS 71 3HZ LYS 71 -2.353 -5.250 -13.871 445 HZ2 LYS 71 1HZ LYS 71 -0.929 -5.379 -14.671 446 HZ3 LYS 71 2HZ LYS 71 -2.101 -4.384 -15.238 447 H LEU 72 H LEU 72 3.529 -1.324 -10.766 448 HA LEU 72 HA LEU 72 5.848 -1.499 -12.657 449 HB3 LEU 72 1HB LEU 72 5.215 0.686 -10.629 450 HG LEU 72 HG LEU 72 7.693 0.485 -11.188 451 HD11 LEU 72 1HD1 LEU 72 6.736 1.029 -14.038 452 HD12 LEU 72 2HD1 LEU 72 7.576 -0.430 -13.462 453 HD13 LEU 72 3HD1 LEU 72 8.417 1.115 -13.473 454 HD21 LEU 72 3HD2 LEU 72 6.272 2.927 -12.320 455 HD22 LEU 72 1HD2 LEU 72 7.968 2.848 -11.778 456 HD23 LEU 72 2HD2 LEU 72 6.654 2.646 -10.605 457 H TRP 73 H TRP 73 6.606 -0.320 -9.658 458 HA TRP 73 HA TRP 73 6.742 -2.888 -8.229 459 HB3 TRP 73 1HB TRP 73 9.212 -1.220 -8.549 460 HD1 TRP 73 HD TRP 73 8.922 -5.032 -8.326 461 HE1 TRP 73 HE1 TRP 73 10.133 -5.845 -6.211 462 HE3 TRP 73 HE3 TRP 73 9.924 -0.489 -6.190 463 HZ2 TRP 73 HZ2 TRP 73 11.543 -4.664 -3.985 464 HZ3 TRP 73 HZ3 TRP 73 11.168 -0.361 -4.064 465 HH2 TRP 73 HH TRP 73 12.014 -2.418 -2.970 466 HA PRO 74 HA PRO 74 6.790 0.712 -5.153 467 HB3 PRO 74 1HB PRO 74 8.212 2.473 -5.543 468 HG3 PRO 74 1HG PRO 74 8.697 3.145 -7.797 469 HD3 PRO 74 1HD PRO 74 9.077 0.839 -7.843 470 H THR 75 H THR 75 4.711 -0.019 -4.953 471 HA THR 75 HA THR 75 2.441 1.286 -6.335 472 HB THR 75 HB THR 75 3.288 -1.628 -6.692 473 HG1 THR 75 HG1 THR 75 3.732 0.476 -8.097 474 HG21 THR 75 3HG2 THR 75 0.893 -1.730 -6.359 475 HG22 THR 75 1HG2 THR 75 1.196 -1.854 -8.093 476 HG23 THR 75 2HG2 THR 75 0.627 -0.314 -7.395 477 H PHE 76 H PHE 76 0.682 1.231 -5.165 478 HA PHE 76 HA PHE 76 0.398 -0.717 -2.989 479 HB3 PHE 76 1HB PHE 76 1.271 0.889 -1.585 480 HD1 PHE 76 HD1 PHE 76 2.986 2.062 -2.947 481 HD2 PHE 76 HD2 PHE 76 -1.058 3.490 -2.470 482 HE1 PHE 76 HE1 PHE 76 3.677 4.301 -3.802 483 HE2 PHE 76 HE2 PHE 76 -0.343 5.717 -3.219 484 HZ PHE 76 HZ PHE 76 1.980 6.096 -3.993 485 H VAL 77 H VAL 77 -1.516 -1.413 -2.704 486 HA VAL 77 HA VAL 77 -3.688 -0.474 -4.519 487 HB VAL 77 HB VAL 77 -3.115 -3.268 -3.459 488 HG11 VAL 77 1HG1 VAL 77 -5.499 -2.972 -3.958 489 HG12 VAL 77 2HG1 VAL 77 -5.129 -2.294 -5.531 490 HG13 VAL 77 3HG1 VAL 77 -4.771 -3.980 -5.212 491 HG21 VAL 77 3HG2 VAL 77 -2.513 -2.024 -6.177 492 HG22 VAL 77 1HG2 VAL 77 -1.336 -2.621 -5.003 493 HG23 VAL 77 2HG2 VAL 77 -2.409 -3.746 -5.824 494 H PHE 78 H PHE 78 -5.502 0.233 -3.684 495 HA PHE 78 HA PHE 78 -5.827 0.260 -0.735 496 HB3 PHE 78 1HB PHE 78 -7.655 1.863 -1.220 497 HD1 PHE 78 HD2 PHE 78 -4.916 2.373 -3.731 498 HD2 PHE 78 HD1 PHE 78 -6.475 3.522 0.121 499 HE1 PHE 78 HE2 PHE 78 -3.166 4.098 -3.537 500 HE2 PHE 78 HE1 PHE 78 -4.747 5.308 0.249 501 HZ PHE 78 HZ PHE 78 -3.127 5.616 -1.624 502 H LEU 79 H LEU 79 -6.911 -1.313 0.209 503 HA LEU 79 HA LEU 79 -9.141 -2.656 -1.221 504 HB3 LEU 79 1HB LEU 79 -8.753 -4.245 0.890 505 HG LEU 79 HG LEU 79 -8.696 -5.011 -1.389 506 HD11 LEU 79 1HD1 LEU 79 -7.104 -3.450 -2.424 507 HD12 LEU 79 2HD1 LEU 79 -6.650 -5.132 -2.681 508 HD13 LEU 79 3HD1 LEU 79 -5.783 -4.163 -1.455 509 HD21 LEU 79 3HD2 LEU 79 -8.037 -6.474 0.470 510 HD22 LEU 79 1HD2 LEU 79 -6.349 -5.953 0.299 511 HD23 LEU 79 2HD2 LEU 79 -7.136 -6.880 -0.996 512 H ARG 80 H ARG 80 -11.054 -3.027 -0.135 513 HA ARG 80 HA ARG 80 -11.660 -2.217 2.543 514 HB3 ARG 80 1HB ARG 80 -13.100 -0.548 0.452 515 HG3 ARG 80 1HG ARG 80 -12.671 -0.282 3.452 516 HD3 ARG 80 1HD ARG 80 -14.094 1.646 1.553 517 HE ARG 80 HE ARG 80 -14.616 1.308 4.206 518 HH11 ARG 80 1HH1 ARG 80 -13.050 4.039 2.503 519 HH12 ARG 80 2HH1 ARG 80 -13.601 5.168 3.710 520 HH21 ARG 80 1HH2 ARG 80 -15.246 2.860 5.689 521 HH22 ARG 80 2HH2 ARG 80 -14.787 4.517 5.466 522 H ASP 81 H ASP 81 -13.501 -3.309 3.198 523 HA ASP 81 HA ASP 81 -14.917 -5.073 3.221 524 HB3 ASP 81 1HB ASP 81 -15.602 -4.451 0.323 525 H GLY 82 H GLY 82 -12.059 -5.282 2.302 526 HA2 GLY 82 1HA GLY 82 -10.580 -7.018 1.857 527 HA3 GLY 82 2HA GLY 82 -11.957 -8.103 1.582 528 H ARG 83 H ARG 83 -12.723 -5.703 -0.399 529 HA ARG 83 HA ARG 83 -11.535 -6.932 -2.805 530 HB3 ARG 83 1HB ARG 83 -13.380 -5.475 -3.885 531 HG3 ARG 83 1HG ARG 83 -13.913 -7.799 -2.021 532 HD3 ARG 83 1HD ARG 83 -15.940 -6.388 -3.790 533 HE ARG 83 HE ARG 83 -16.198 -8.770 -4.059 534 HH11 ARG 83 1HH1 ARG 83 -17.107 -7.680 -0.765 535 HH12 ARG 83 2HH1 ARG 83 -17.950 -9.163 -0.471 536 HH21 ARG 83 1HH2 ARG 83 -17.333 -10.590 -3.559 537 HH22 ARG 83 2HH2 ARG 83 -18.064 -10.771 -1.991 538 H GLU 84 H GLU 84 -10.579 -5.675 -4.329 539 HA GLU 84 HA GLU 84 -9.109 -3.304 -3.453 540 HB3 GLU 84 1HB GLU 84 -9.292 -4.684 -6.145 541 HG3 GLU 84 1HG GLU 84 -7.611 -2.273 -5.392 542 H VAL 85 H VAL 85 -9.815 -1.316 -3.407 543 HA VAL 85 HA VAL 85 -12.240 -0.496 -4.962 544 HB VAL 85 HB VAL 85 -12.200 1.538 -3.529 545 HG11 VAL 85 1HG1 VAL 85 -13.262 0.445 -1.629 546 HG12 VAL 85 2HG1 VAL 85 -13.698 -0.389 -3.133 547 HG13 VAL 85 3HG1 VAL 85 -12.485 -1.103 -2.047 548 HG21 VAL 85 3HG2 VAL 85 -9.776 1.333 -2.726 549 HG22 VAL 85 1HG2 VAL 85 -10.975 1.624 -1.449 550 HG23 VAL 85 2HG2 VAL 85 -10.320 0.005 -1.681 551 H ALA 86 H ALA 86 -8.795 -0.033 -4.777 552 HA ALA 86 HA ALA 86 -8.595 1.356 -7.277 553 HB1 ALA 86 3HB ALA 86 -9.369 3.296 -5.951 554 HB2 ALA 86 1HB ALA 86 -8.148 2.939 -4.706 555 HB3 ALA 86 2HB ALA 86 -7.656 3.498 -6.302 556 H ARG 87 H ARG 87 -6.240 2.257 -7.459 557 HA ARG 87 HA ARG 87 -4.366 1.465 -5.448 558 HB3 ARG 87 1HB ARG 87 -4.429 -0.642 -6.591 559 HG3 ARG 87 1HG ARG 87 -3.536 0.875 -9.079 560 HD3 ARG 87 1HD ARG 87 -2.271 -1.201 -8.413 561 HE ARG 87 HE ARG 87 -4.927 -2.398 -8.406 562 HH11 ARG 87 1HH1 ARG 87 -1.592 -3.233 -9.359 563 HH12 ARG 87 2HH1 ARG 87 -1.897 -4.940 -9.133 564 HH21 ARG 87 1HH2 ARG 87 -5.169 -4.587 -8.087 565 HH22 ARG 87 2HH2 ARG 87 -3.816 -5.667 -8.415 566 H VAL 88 H VAL 88 -2.324 2.416 -5.706 567 HA VAL 88 HA VAL 88 -2.124 4.574 -7.820 568 HB VAL 88 HB VAL 88 -1.311 4.617 -4.939 569 HG11 VAL 88 1HG1 VAL 88 -0.379 6.944 -5.377 570 HG12 VAL 88 2HG1 VAL 88 0.548 5.689 -6.215 571 HG13 VAL 88 3HG1 VAL 88 -0.632 6.667 -7.117 572 HG21 VAL 88 3HG2 VAL 88 -3.662 5.292 -5.381 573 HG22 VAL 88 1HG2 VAL 88 -2.682 6.532 -4.602 574 HG23 VAL 88 2HG2 VAL 88 -3.048 6.644 -6.345 575 H VAL 89 H VAL 89 -0.378 4.505 -9.019 576 HA VAL 89 HA VAL 89 1.871 2.619 -8.385 577 HB VAL 89 HB VAL 89 0.613 3.238 -11.095 578 HG11 VAL 89 1HG1 VAL 89 2.159 1.495 -11.979 579 HG12 VAL 89 2HG1 VAL 89 3.043 2.884 -11.339 580 HG13 VAL 89 3HG1 VAL 89 2.923 1.397 -10.381 581 HG21 VAL 89 3HG2 VAL 89 0.627 0.617 -9.558 582 HG22 VAL 89 1HG2 VAL 89 -0.785 1.679 -9.751 583 HG23 VAL 89 2HG2 VAL 89 -0.077 0.912 -11.162 584 H ARG 90 H ARG 90 3.805 3.608 -8.290 585 HA ARG 90 HA ARG 90 5.431 5.144 -8.333 586 HB3 ARG 90 1HB ARG 90 4.407 6.001 -11.065 587 HG3 ARG 90 1HG ARG 90 7.206 5.591 -9.882 588 HD3 ARG 90 1HD ARG 90 6.331 6.818 -12.524 589 HE ARG 90 HE ARG 90 8.749 7.141 -11.103 590 HH11 ARG 90 1HH1 ARG 90 7.843 6.078 -14.362 591 HH12 ARG 90 2HH1 ARG 90 9.364 6.572 -15.043 592 HH21 ARG 90 1HH2 ARG 90 10.677 7.772 -12.050 593 HH22 ARG 90 2HH2 ARG 90 10.949 7.510 -13.745 594 HA PRO 91 HA PRO 91 2.568 8.610 -6.883 595 HB3 PRO 91 1HB PRO 91 2.684 7.997 -4.736 596 HG3 PRO 91 1HG PRO 91 4.509 6.682 -3.909 597 HD3 PRO 91 1HD PRO 91 3.798 5.551 -5.869 598 H GLY 92 H GLY 92 2.849 10.572 -7.851 599 HA2 GLY 92 1HA GLY 92 5.505 11.505 -8.684 600 HA3 GLY 92 2HA GLY 92 3.930 12.245 -9.061 601 H SER 93 H SER 93 3.104 12.462 -6.284 602 HA SER 93 HA SER 93 4.881 13.917 -4.621 603 HB3 SER 93 1HB SER 93 2.898 15.714 -6.071 604 HG SER 93 HG SER 93 4.170 17.324 -4.987 605 H ALA 94 H ALA 94 3.659 14.904 -2.759 606 HA ALA 94 HA ALA 94 1.676 13.163 -1.712 607 HB1 ALA 94 3HB ALA 94 3.203 14.619 -0.383 608 HB2 ALA 94 1HB ALA 94 2.315 16.055 -0.966 609 HB3 ALA 94 2HB ALA 94 1.507 14.832 0.064 610 H SER 95 H SER 95 1.238 16.134 -3.626 611 HA SER 95 HA SER 95 -1.573 16.430 -3.295 612 HB3 SER 95 1HB SER 95 -0.249 18.131 -4.390 613 HG SER 95 HG SER 95 0.647 17.693 -6.484 614 H VAL 96 H VAL 96 0.205 14.085 -5.262 615 HA VAL 96 HA VAL 96 -2.217 13.143 -6.684 616 HB VAL 96 HB VAL 96 0.623 12.003 -6.654 617 HG11 VAL 96 1HG1 VAL 96 -1.724 11.488 -8.532 618 HG12 VAL 96 2HG1 VAL 96 -0.061 10.892 -8.769 619 HG13 VAL 96 3HG1 VAL 96 -0.991 10.322 -7.385 620 HG21 VAL 96 3HG2 VAL 96 0.903 13.087 -8.862 621 HG22 VAL 96 1HG2 VAL 96 -0.674 13.890 -8.676 622 HG23 VAL 96 2HG2 VAL 96 0.676 14.285 -7.591 623 H LEU 97 H LEU 97 -0.057 12.068 -4.058 624 HA LEU 97 HA LEU 97 -1.389 9.516 -3.735 625 HB3 LEU 97 1HB LEU 97 0.063 10.486 -1.374 626 HG LEU 97 HG LEU 97 0.678 8.341 -3.492 627 HD11 LEU 97 1HD1 LEU 97 2.674 8.978 -2.290 628 HD12 LEU 97 2HD1 LEU 97 2.163 7.355 -1.893 629 HD13 LEU 97 3HD1 LEU 97 1.876 8.666 -0.727 630 HD21 LEU 97 3HD2 LEU 97 -0.149 6.882 -1.443 631 HD22 LEU 97 1HD2 LEU 97 -1.341 7.650 -2.519 632 HD23 LEU 97 2HD2 LEU 97 -0.951 8.372 -0.959 633 H GLU 98 H GLU 98 -1.534 12.561 -1.824 634 HA GLU 98 HA GLU 98 -3.575 11.839 -0.026 635 HB3 GLU 98 1HB GLU 98 -4.073 14.297 0.041 636 HG3 GLU 98 1HG GLU 98 -1.085 13.674 0.192 637 H GLU 99 H GLU 99 -3.898 13.176 -3.358 638 HA GLU 99 HA GLU 99 -6.691 13.510 -3.450 639 HB3 GLU 99 1HB GLU 99 -4.621 12.815 -5.560 640 HG3 GLU 99 1HG GLU 99 -7.568 13.350 -5.949 641 H ALA 100 H ALA 100 -4.758 10.548 -3.928 642 HA ALA 100 HA ALA 100 -7.143 8.953 -4.559 643 HB1 ALA 100 3HB ALA 100 -4.317 8.118 -3.801 644 HB2 ALA 100 1HB ALA 100 -5.584 7.062 -4.460 645 HB3 ALA 100 2HB ALA 100 -4.929 8.380 -5.456 646 H PHE 101 H PHE 101 -5.129 9.537 -1.613 647 HA PHE 101 HA PHE 101 -6.378 7.583 0.028 648 HB3 PHE 101 1HB PHE 101 -5.732 9.531 1.781 649 HD1 PHE 101 HD1 PHE 101 -3.252 7.930 -0.684 650 HD2 PHE 101 HD2 PHE 101 -4.987 7.937 3.291 651 HE1 PHE 101 HE1 PHE 101 -1.625 6.274 0.055 652 HE2 PHE 101 HE2 PHE 101 -3.339 6.237 3.989 653 HZ PHE 101 HZ PHE 101 -1.623 5.432 2.334 654 H GLU 102 H GLU 102 -7.199 11.079 -0.317 655 HA GLU 102 HA GLU 102 -9.477 10.991 1.381 656 HB3 GLU 102 1HB GLU 102 -8.569 13.104 0.842 657 HG3 GLU 102 1HG GLU 102 -8.417 12.259 -1.873 658 H SER 103 H SER 103 -9.166 10.154 -2.047 659 HA SER 103 HA SER 103 -12.002 9.977 -2.537 660 HB3 SER 103 1HB SER 103 -9.739 8.550 -3.978 661 HG SER 103 HG SER 103 -11.226 8.771 -5.759 662 H LEU 104 H LEU 104 -9.645 7.675 -1.198 663 HA LEU 104 HA LEU 104 -11.657 5.469 -1.344 664 HB3 LEU 104 1HB LEU 104 -9.698 4.088 -0.518 665 HG LEU 104 HG LEU 104 -8.836 3.609 -2.543 666 HD11 LEU 104 1HD1 LEU 104 -11.218 5.173 -3.588 667 HD12 LEU 104 2HD1 LEU 104 -11.398 3.671 -2.637 668 HD13 LEU 104 3HD1 LEU 104 -10.556 3.644 -4.182 669 HD21 LEU 104 3HD2 LEU 104 -7.633 5.699 -2.971 670 HD22 LEU 104 1HD2 LEU 104 -9.160 6.454 -3.509 671 HD23 LEU 104 2HD2 LEU 104 -8.462 5.152 -4.434 672 H VAL 105 H VAL 105 -10.153 7.542 1.034 673 HA VAL 105 HA VAL 105 -11.166 6.080 3.306 674 HB VAL 105 HB VAL 105 -9.294 7.945 3.113 675 HG11 VAL 105 1HG1 VAL 105 -11.612 9.646 4.061 676 HG12 VAL 105 2HG1 VAL 105 -9.926 10.143 3.875 677 HG13 VAL 105 3HG1 VAL 105 -10.896 9.753 2.447 678 HG21 VAL 105 3HG2 VAL 105 -11.019 7.818 5.585 679 HG22 VAL 105 1HG2 VAL 105 -9.845 6.567 5.085 680 HG23 VAL 105 2HG2 VAL 105 -9.282 8.201 5.460 681 H GLY 106 H GLY 106 -12.574 8.380 1.072 682 HA2 GLY 106 1HA GLY 106 -14.857 8.671 0.716 683 HA3 GLY 106 2HA GLY 106 -15.230 8.199 2.389 684 H GLU 107 H GLU 107 -12.686 10.501 2.131 685 HA GLU 107 HA GLU 107 -14.398 12.676 3.176 686 HB3 GLU 107 1HB GLU 107 -12.058 13.817 3.272 687 HG3 GLU 107 1HG GLU 107 -11.373 12.515 5.301 688 H GLY 108 H GLY 108 -12.982 11.728 0.146 689 HA2 GLY 108 1HA GLY 108 -12.862 14.305 -1.130 690 HA3 GLY 108 2HA GLY 108 -12.829 12.707 -1.907 Start of MODEL 4 1 H1 MET 1 H MET 1 9.691 8.432 6.656 2 HA MET 1 HA MET 1 8.263 6.526 5.601 3 HB3 MET 1 1HB MET 1 10.678 6.424 5.497 4 HG3 MET 1 1HG MET 1 10.532 5.316 8.327 5 HE1 MET 1 3HE MET 1 13.496 7.064 6.455 6 HE2 MET 1 1HE MET 1 14.493 5.700 5.922 7 HE3 MET 1 2HE MET 1 12.933 5.999 5.142 8 H LYS 2 H LYS 2 8.048 6.914 8.937 9 HA LYS 2 HA LYS 2 7.119 5.754 10.686 10 HB3 LYS 2 1HB LYS 2 4.848 4.868 10.238 11 HG3 LYS 2 1HG LYS 2 5.377 7.475 8.783 12 HD3 LYS 2 1HD LYS 2 2.931 6.474 10.323 13 HE3 LYS 2 1HE LYS 2 1.809 8.380 9.123 14 HZ1 LYS 2 3HZ LYS 2 2.664 10.124 10.520 15 HZ2 LYS 2 1HZ LYS 2 4.018 9.290 10.893 16 HZ3 LYS 2 2HZ LYS 2 2.556 8.754 11.414 17 H THR 3 H THR 3 5.511 3.077 9.812 18 HA THR 3 HA THR 3 7.517 1.387 11.061 19 HB THR 3 HB THR 3 5.625 -0.352 10.815 20 HG1 THR 3 HG1 THR 3 3.582 0.998 10.694 21 HG21 THR 3 3HG2 THR 3 6.173 0.864 12.900 22 HG22 THR 3 1HG2 THR 3 4.429 0.607 12.723 23 HG23 THR 3 2HG2 THR 3 5.130 2.211 12.393 24 H ARG 4 H ARG 4 8.275 -0.574 10.356 25 HA ARG 4 HA ARG 4 9.354 -0.322 7.658 26 HB3 ARG 4 1HB ARG 4 10.769 -2.292 8.510 27 HG3 ARG 4 1HG ARG 4 11.700 -0.063 8.514 28 HD3 ARG 4 1HD ARG 4 10.136 1.279 9.847 29 HE ARG 4 HE ARG 4 10.598 -0.708 11.898 30 HH11 ARG 4 1HH1 ARG 4 9.895 2.746 11.558 31 HH12 ARG 4 2HH1 ARG 4 9.471 2.906 13.236 32 HH21 ARG 4 1HH2 ARG 4 9.894 -0.457 14.020 33 HH22 ARG 4 2HH2 ARG 4 9.395 1.114 14.578 34 H TYR 5 H TYR 5 9.794 -2.319 6.370 35 HA TYR 5 HA TYR 5 7.319 -3.579 5.608 36 HB3 TYR 5 1HB TYR 5 9.097 -4.958 4.176 37 HD1 TYR 5 HD1 TYR 5 9.494 -1.243 4.183 38 HD2 TYR 5 HD2 TYR 5 7.463 -4.649 2.518 39 HE1 TYR 5 HE1 TYR 5 8.517 0.211 2.405 40 HE2 TYR 5 HE2 TYR 5 6.451 -3.186 0.764 41 HH TYR 5 HH TYR 5 7.383 0.266 0.430 42 H SER 6 H SER 6 6.832 -5.859 5.413 43 HA SER 6 HA SER 6 8.234 -7.614 7.388 44 HB3 SER 6 1HB SER 6 5.231 -7.369 7.035 45 HG SER 6 HG SER 6 5.367 -8.605 9.069 46 H ALA 7 H ALA 7 8.669 -9.610 6.709 47 HA ALA 7 HA ALA 7 7.601 -10.698 4.202 48 HB1 ALA 7 3HB ALA 7 9.418 -11.888 6.347 49 HB2 ALA 7 1HB ALA 7 9.082 -12.596 4.755 50 HB3 ALA 7 2HB ALA 7 9.960 -11.061 4.867 51 H GLU 8 H GLU 8 6.522 -10.582 7.474 52 HA GLU 8 HA GLU 8 5.256 -13.218 7.503 53 HB3 GLU 8 1HB GLU 8 4.581 -12.624 9.773 54 HG3 GLU 8 1HG GLU 8 6.746 -12.103 10.838 55 H ALA 9 H ALA 9 4.407 -11.176 5.521 56 HA ALA 9 HA ALA 9 1.819 -10.159 6.127 57 HB1 ALA 9 3HB ALA 9 1.600 -9.959 3.636 58 HB2 ALA 9 1HB ALA 9 3.146 -9.316 4.241 59 HB3 ALA 9 2HB ALA 9 3.080 -10.914 3.447 60 HA PRO 10 HA PRO 10 -0.929 -13.653 5.813 61 HB3 PRO 10 1HB PRO 10 -2.604 -12.169 6.393 62 HG3 PRO 10 1HG PRO 10 -2.720 -9.966 5.383 63 HD3 PRO 10 1HD PRO 10 -0.638 -10.250 6.490 64 H ALA 11 H ALA 11 -2.042 -15.059 4.353 65 HA ALA 11 HA ALA 11 -1.152 -15.080 1.541 66 HB1 ALA 11 3HB ALA 11 -2.541 -17.136 1.455 67 HB2 ALA 11 1HB ALA 11 -1.445 -17.188 2.845 68 HB3 ALA 11 2HB ALA 11 -3.164 -16.792 3.086 69 H ARG 12 H ARG 12 -2.631 -14.951 -0.277 70 HA ARG 12 HA ARG 12 -4.280 -12.672 -0.071 71 HB3 ARG 12 1HB ARG 12 -4.178 -14.723 -2.314 72 HG3 ARG 12 1HG ARG 12 -6.036 -13.246 -2.796 73 HD3 ARG 12 1HD ARG 12 -4.154 -10.866 -2.423 74 HE ARG 12 HE ARG 12 -5.812 -9.972 -3.761 75 HH11 ARG 12 1HH1 ARG 12 -7.457 -12.009 -1.331 76 HH12 ARG 12 2HH1 ARG 12 -9.031 -11.455 -1.854 77 HH21 ARG 12 1HH2 ARG 12 -7.917 -9.290 -4.279 78 HH22 ARG 12 2HH2 ARG 12 -9.265 -9.936 -3.387 79 H ASP 13 H ASP 13 -5.184 -16.030 0.303 80 HA ASP 13 HA ASP 13 -8.050 -15.647 0.178 81 HB3 ASP 13 1HB ASP 13 -8.104 -17.863 1.315 82 H GLU 14 H GLU 14 -5.643 -15.226 2.758 83 HA GLU 14 HA GLU 14 -7.614 -14.930 4.922 84 HB3 GLU 14 1HB GLU 14 -5.618 -14.177 6.201 85 HG3 GLU 14 1HG GLU 14 -5.061 -16.736 4.647 86 H LEU 15 H LEU 15 -5.647 -12.894 2.775 87 HA LEU 15 HA LEU 15 -6.292 -10.318 3.752 88 HB3 LEU 15 1HB LEU 15 -5.973 -11.042 0.830 89 HG LEU 15 HG LEU 15 -6.064 -8.559 1.844 90 HD11 LEU 15 1HD1 LEU 15 -3.802 -7.707 2.288 91 HD12 LEU 15 2HD1 LEU 15 -3.133 -9.333 2.058 92 HD13 LEU 15 3HD1 LEU 15 -4.177 -8.992 3.467 93 HD21 LEU 15 3HD2 LEU 15 -5.753 -9.039 -0.518 94 HD22 LEU 15 1HD2 LEU 15 -4.054 -9.510 -0.225 95 HD23 LEU 15 2HD2 LEU 15 -4.568 -7.827 0.018 96 H ASP 16 H ASP 16 -8.056 -12.449 1.522 97 HA ASP 16 HA ASP 16 -9.929 -10.599 0.506 98 HB3 ASP 16 1HB ASP 16 -10.561 -13.540 0.966 99 H ARG 17 H ARG 17 -9.792 -12.108 3.581 100 HA ARG 17 HA ARG 17 -12.662 -11.857 4.217 101 HB3 ARG 17 1HB ARG 17 -11.901 -13.002 6.333 102 HG3 ARG 17 1HG ARG 17 -11.160 -14.267 3.646 103 HD3 ARG 17 1HD ARG 17 -11.411 -15.588 6.359 104 HE ARG 17 HE ARG 17 -11.687 -16.649 3.692 105 HH11 ARG 17 1HH1 ARG 17 -10.269 -17.505 6.807 106 HH12 ARG 17 2HH1 ARG 17 -10.312 -19.216 6.474 107 HH21 ARG 17 1HH2 ARG 17 -11.726 -18.863 3.311 108 HH22 ARG 17 2HH2 ARG 17 -11.156 -19.969 4.526 109 H LEU 18 H LEU 18 -9.944 -9.812 4.410 110 HA LEU 18 HA LEU 18 -10.606 -8.404 6.854 111 HB3 LEU 18 1HB LEU 18 -8.446 -8.288 5.593 112 HG LEU 18 HG LEU 18 -9.408 -7.406 3.341 113 HD11 LEU 18 1HD1 LEU 18 -10.777 -5.506 3.960 114 HD12 LEU 18 2HD1 LEU 18 -9.344 -4.868 3.185 115 HD13 LEU 18 3HD1 LEU 18 -9.474 -4.821 4.954 116 HD21 LEU 18 3HD2 LEU 18 -7.106 -5.961 4.737 117 HD22 LEU 18 1HD2 LEU 18 -7.330 -6.085 2.978 118 HD23 LEU 18 2HD2 LEU 18 -6.998 -7.543 3.931 119 H ALA 19 H ALA 19 -11.472 -6.112 6.950 120 HA ALA 19 HA ALA 19 -13.722 -5.701 5.011 121 HB1 ALA 19 3HB ALA 19 -14.537 -6.934 6.972 122 HB2 ALA 19 1HB ALA 19 -13.926 -5.655 8.053 123 HB3 ALA 19 2HB ALA 19 -15.231 -5.310 6.890 124 H GLY 20 H GLY 20 -11.680 -4.072 7.471 125 HA2 GLY 20 1HA GLY 20 -12.833 -1.470 6.894 126 HA3 GLY 20 2HA GLY 20 -11.407 -1.796 7.910 127 HA PRO 21 HA PRO 21 -10.255 0.089 3.698 128 HB3 PRO 21 1HB PRO 21 -11.075 2.211 4.054 129 HG3 PRO 21 1HG PRO 21 -11.413 3.052 6.254 130 HD3 PRO 21 1HD PRO 21 -12.529 0.975 6.227 131 H THR 22 H THR 22 -8.498 -1.099 3.364 132 HA THR 22 HA THR 22 -6.073 -0.769 5.112 133 HB THR 22 HB THR 22 -7.105 -3.354 3.900 134 HG1 THR 22 HG1 THR 22 -8.301 -2.713 5.675 135 HG21 THR 22 3HG2 THR 22 -5.298 -4.371 5.324 136 HG22 THR 22 1HG2 THR 22 -4.698 -2.737 5.670 137 HG23 THR 22 2HG2 THR 22 -4.659 -3.371 4.009 138 H LEU 23 H LEU 23 -4.498 0.119 3.970 139 HA LEU 23 HA LEU 23 -4.349 -0.299 1.047 140 HB3 LEU 23 1HB LEU 23 -2.571 1.288 2.954 141 HG LEU 23 HG LEU 23 -1.374 0.885 0.884 142 HD11 LEU 23 1HD1 LEU 23 -2.572 1.920 -1.268 143 HD12 LEU 23 2HD1 LEU 23 -4.012 1.486 -0.363 144 HD13 LEU 23 3HD1 LEU 23 -2.804 0.243 -0.763 145 HD21 LEU 23 3HD2 LEU 23 -1.198 3.083 1.852 146 HD22 LEU 23 1HD2 LEU 23 -2.584 3.650 0.885 147 HD23 LEU 23 2HD2 LEU 23 -1.059 3.151 0.098 148 H VAL 24 H VAL 24 -3.110 -1.815 0.132 149 HA VAL 24 HA VAL 24 -1.108 -3.286 1.801 150 HB VAL 24 HB VAL 24 -2.540 -4.258 -0.706 151 HG11 VAL 24 1HG1 VAL 24 -0.830 -5.769 1.329 152 HG12 VAL 24 2HG1 VAL 24 -1.666 -6.469 -0.075 153 HG13 VAL 24 3HG1 VAL 24 -0.333 -5.336 -0.324 154 HG21 VAL 24 3HG2 VAL 24 -3.073 -4.928 2.221 155 HG22 VAL 24 1HG2 VAL 24 -4.168 -4.054 1.132 156 HG23 VAL 24 2HG2 VAL 24 -3.805 -5.749 0.818 157 H GLU 25 H GLU 25 0.874 -2.721 1.428 158 HA GLU 25 HA GLU 25 1.698 -1.514 -1.163 159 HB3 GLU 25 1HB GLU 25 2.572 -1.089 1.713 160 HG3 GLU 25 1HG GLU 25 3.982 -0.247 -0.829 161 H PHE 26 H PHE 26 3.301 -2.342 -2.317 162 HA PHE 26 HA PHE 26 4.768 -4.730 -1.319 163 HB3 PHE 26 1HB PHE 26 4.892 -5.464 -3.586 164 HD1 PHE 26 HD1 PHE 26 3.248 -6.971 -2.316 165 HD2 PHE 26 HD2 PHE 26 2.004 -3.411 -4.405 166 HE1 PHE 26 HE1 PHE 26 0.856 -7.674 -2.154 167 HE2 PHE 26 HE2 PHE 26 -0.348 -4.109 -4.177 168 HZ PHE 26 HZ PHE 26 -0.932 -6.212 -3.033 169 H GLY 27 H GLY 27 6.948 -4.748 -1.351 170 HA2 GLY 27 1HA GLY 27 8.881 -3.562 -2.827 171 HA3 GLY 27 2HA GLY 27 8.395 -2.226 -1.798 172 H THR 28 H THR 28 10.565 -2.295 -0.868 173 HA THR 28 HA THR 28 10.721 -4.133 1.442 174 HB THR 28 HB THR 28 13.099 -4.482 1.200 175 HG1 THR 28 HG1 THR 28 14.087 -3.843 -0.814 176 HG21 THR 28 3HG2 THR 28 11.752 -5.290 -1.402 177 HG22 THR 28 1HG2 THR 28 11.617 -6.158 0.142 178 HG23 THR 28 2HG2 THR 28 13.179 -6.031 -0.670 179 H ASP 29 H ASP 29 12.684 -3.245 2.900 180 HA ASP 29 HA ASP 29 11.969 -0.415 3.388 181 HB3 ASP 29 1HB ASP 29 13.804 -2.234 4.992 182 H TRP 30 H TRP 30 14.177 -1.934 1.437 183 HA TRP 30 HA TRP 30 16.367 0.040 1.915 184 HB3 TRP 30 1HB TRP 30 17.009 -2.007 2.881 185 HD1 TRP 30 HD TRP 30 15.595 -4.144 3.259 186 HE1 TRP 30 HE1 TRP 30 15.153 -6.281 1.926 187 HE3 TRP 30 HE3 TRP 30 17.566 -2.708 -1.252 188 HZ2 TRP 30 HZ2 TRP 30 15.482 -7.212 -0.802 189 HZ3 TRP 30 HZ3 TRP 30 17.476 -4.220 -3.186 190 HH2 TRP 30 HH TRP 30 16.425 -6.479 -2.994 191 H CYS 31 H CYS 31 14.325 -1.180 -0.645 192 HA CYS 31 HA CYS 31 16.251 -0.630 -2.775 193 HB2 CYS 31 1HB CYS 31 14.400 -2.235 -3.068 194 HB3 CYS 31 2HB CYS 31 13.236 -0.927 -2.879 195 H GLY 32 H GLY 32 16.351 1.132 -4.130 196 HA2 GLY 32 1HA GLY 32 15.963 3.771 -3.073 197 HA3 GLY 32 2HA GLY 32 16.416 3.354 -4.736 198 H HIS 33 H HIS 33 13.888 1.794 -5.141 199 HA HIS 33 HA HIS 33 11.958 3.816 -5.898 200 HB2 HIS 33 1HB HIS 33 11.867 0.812 -5.364 201 HB3 HIS 33 2HB HIS 33 10.415 1.711 -5.724 202 HD1 HIS 33 HD1 HIS 33 12.032 -0.606 -7.546 203 HD2 HIS 33 HD2 HIS 33 11.226 3.477 -8.186 204 HE1 HIS 33 HE1 HIS 33 11.785 -0.304 -10.068 205 H CYS 34 H CYS 34 12.223 1.668 -3.055 206 HA CYS 34 HA CYS 34 9.850 2.694 -1.759 207 HB3 CYS 34 1HB CYS 34 11.197 1.496 0.221 208 HG CYS 34 HG CYS 34 10.009 -0.637 -0.177 209 H GLN 35 H GLN 35 13.269 3.668 -1.604 210 HA GLN 35 HA GLN 35 12.989 5.119 0.849 211 HB3 GLN 35 1HB GLN 35 15.058 6.286 0.255 212 HG3 GLN 35 1HG GLN 35 16.591 4.535 -0.073 213 HE21 GLN 35 2HE2 GLN 35 14.425 1.942 0.133 214 HE22 GLN 35 1HE2 GLN 35 14.441 1.822 1.901 215 H ALA 36 H ALA 36 12.019 5.851 -2.348 216 HA ALA 36 HA ALA 36 11.491 8.729 -1.901 217 HB1 ALA 36 3HB ALA 36 10.960 6.852 -4.278 218 HB2 ALA 36 1HB ALA 36 10.753 8.619 -4.277 219 HB3 ALA 36 2HB ALA 36 12.368 7.908 -4.086 220 H ALA 37 H ALA 37 9.623 5.682 -2.217 221 HA ALA 37 HA ALA 37 7.072 7.125 -2.064 222 HB1 ALA 37 3HB ALA 37 7.376 5.209 -3.559 223 HB2 ALA 37 1HB ALA 37 7.688 4.150 -2.163 224 HB3 ALA 37 2HB ALA 37 6.084 4.921 -2.377 225 H GLN 38 H GLN 38 9.102 5.306 0.208 226 HA GLN 38 HA GLN 38 7.122 4.808 2.211 227 HB3 GLN 38 1HB GLN 38 9.184 4.884 3.753 228 HG3 GLN 38 1HG GLN 38 9.211 2.943 1.398 229 HE21 GLN 38 2HE2 GLN 38 9.290 2.019 4.821 230 HE22 GLN 38 1HE2 GLN 38 10.968 1.502 4.812 231 HA PRO 39 HA PRO 39 8.092 8.975 4.316 232 HB3 PRO 39 1HB PRO 39 10.237 9.741 3.978 233 HG3 PRO 39 1HG PRO 39 11.302 9.516 1.841 234 HD3 PRO 39 1HD PRO 39 10.624 7.340 2.514 235 H LEU 40 H LEU 40 7.182 8.582 0.993 236 HA LEU 40 HA LEU 40 5.475 10.936 0.731 237 HB3 LEU 40 1HB LEU 40 4.716 8.512 -0.797 238 HG LEU 40 HG LEU 40 4.874 9.730 -2.701 239 HD11 LEU 40 1HD1 LEU 40 3.485 11.554 -2.414 240 HD12 LEU 40 2HD1 LEU 40 4.197 12.036 -0.860 241 HD13 LEU 40 3HD1 LEU 40 3.132 10.619 -0.963 242 HD21 LEU 40 3HD2 LEU 40 6.646 11.778 -1.313 243 HD22 LEU 40 1HD2 LEU 40 6.065 11.878 -2.989 244 HD23 LEU 40 2HD2 LEU 40 7.138 10.564 -2.514 245 H LEU 41 H LEU 41 4.872 7.450 1.290 246 HA LEU 41 HA LEU 41 2.124 7.694 1.930 247 HB3 LEU 41 1HB LEU 41 2.698 5.484 3.305 248 HG LEU 41 HG LEU 41 2.387 4.085 1.484 249 HD11 LEU 41 1HD1 LEU 41 0.447 5.538 1.961 250 HD12 LEU 41 2HD1 LEU 41 0.502 4.915 0.301 251 HD13 LEU 41 3HD1 LEU 41 0.934 6.596 0.627 252 HD21 LEU 41 3HD2 LEU 41 2.694 4.809 -0.870 253 HD22 LEU 41 1HD2 LEU 41 4.196 4.735 0.067 254 HD23 LEU 41 2HD2 LEU 41 3.464 6.303 -0.274 255 H ALA 42 H ALA 42 4.994 7.796 4.009 256 HA ALA 42 HA ALA 42 3.710 8.068 6.514 257 HB1 ALA 42 3HB ALA 42 6.297 9.343 5.525 258 HB2 ALA 42 1HB ALA 42 5.838 9.129 7.215 259 HB3 ALA 42 2HB ALA 42 6.132 7.706 6.185 260 H GLU 43 H GLU 43 4.352 10.629 4.081 261 HA GLU 43 HA GLU 43 3.424 12.786 5.786 262 HB3 GLU 43 1HB GLU 43 3.245 14.003 3.511 263 HG3 GLU 43 1HG GLU 43 5.781 13.877 3.170 264 H VAL 44 H VAL 44 1.833 10.868 3.166 265 HA VAL 44 HA VAL 44 -0.666 12.295 3.435 266 HB VAL 44 HB VAL 44 -0.336 11.336 1.367 267 HG11 VAL 44 1HG1 VAL 44 -0.089 8.559 2.540 268 HG12 VAL 44 2HG1 VAL 44 -0.131 9.025 0.835 269 HG13 VAL 44 3HG1 VAL 44 1.194 9.561 1.822 270 HG21 VAL 44 3HG2 VAL 44 -2.347 9.481 2.688 271 HG22 VAL 44 1HG2 VAL 44 -2.687 11.162 2.269 272 HG23 VAL 44 2HG2 VAL 44 -2.309 10.003 0.993 273 H PHE 45 H PHE 45 0.308 9.066 4.666 274 HA PHE 45 HA PHE 45 -2.119 8.335 5.880 275 HB3 PHE 45 1HB PHE 45 -0.256 7.200 7.579 276 HD1 PHE 45 HD2 PHE 45 -2.550 6.043 7.316 277 HD2 PHE 45 HD1 PHE 45 0.654 5.753 4.437 278 HE1 PHE 45 HE2 PHE 45 -3.419 3.865 6.520 279 HE2 PHE 45 HE1 PHE 45 -0.217 3.586 3.700 280 HZ PHE 45 HZ PHE 45 -2.292 2.656 4.686 281 H SER 46 H SER 46 0.237 10.626 7.133 282 HA SER 46 HA SER 46 -0.551 10.587 9.894 283 HB3 SER 46 1HB SER 46 0.455 12.858 9.949 284 HG SER 46 HG SER 46 2.174 11.243 8.393 285 H ASP 47 H ASP 47 -2.272 11.848 7.101 286 HA ASP 47 HA ASP 47 -4.145 13.370 8.854 287 HB3 ASP 47 1HB ASP 47 -4.157 13.182 5.829 288 H TYR 48 H TYR 48 -3.793 10.246 7.622 289 HA TYR 48 HA TYR 48 -6.720 9.658 7.843 290 HB3 TYR 48 1HB TYR 48 -6.624 8.163 5.960 291 HD1 TYR 48 HD2 TYR 48 -8.197 10.125 5.508 292 HD2 TYR 48 HD1 TYR 48 -4.019 10.208 4.508 293 HE1 TYR 48 HE2 TYR 48 -8.603 12.033 3.969 294 HE2 TYR 48 HE1 TYR 48 -4.385 12.222 3.110 295 HH TYR 48 HH TYR 48 -5.903 13.713 2.287 296 HA PRO 49 HA PRO 49 -3.810 6.776 10.319 297 HB3 PRO 49 1HB PRO 49 -3.366 8.196 12.052 298 HG3 PRO 49 1HG PRO 49 -4.885 9.965 12.634 299 HD3 PRO 49 1HD PRO 49 -4.372 10.174 10.336 300 H GLU 50 H GLU 50 -7.295 7.311 10.219 301 HA GLU 50 HA GLU 50 -8.074 4.826 11.406 302 HB3 GLU 50 1HB GLU 50 -9.574 6.745 11.169 303 HG3 GLU 50 1HG GLU 50 -9.739 6.045 8.199 304 H VAL 51 H VAL 51 -6.521 5.393 8.377 305 HA VAL 51 HA VAL 51 -7.518 2.894 7.107 306 HB VAL 51 HB VAL 51 -5.407 4.871 6.164 307 HG11 VAL 51 1HG1 VAL 51 -5.661 3.796 3.949 308 HG12 VAL 51 2HG1 VAL 51 -5.042 2.670 5.146 309 HG13 VAL 51 3HG1 VAL 51 -6.747 2.577 4.657 310 HG21 VAL 51 3HG2 VAL 51 -7.645 5.923 6.198 311 HG22 VAL 51 1HG2 VAL 51 -7.110 5.622 4.537 312 HG23 VAL 51 2HG2 VAL 51 -8.305 4.545 5.292 313 H GLY 52 H GLY 52 -6.260 1.006 6.998 314 HA2 GLY 52 1HA GLY 52 -3.902 0.781 8.824 315 HA3 GLY 52 2HA GLY 52 -4.836 -0.554 8.109 316 H HIS 53 H HIS 53 -1.906 -0.239 8.054 317 HA HIS 53 HA HIS 53 -1.564 -0.232 5.086 318 HB2 HIS 53 1HB HIS 53 -0.626 1.851 6.378 319 HB3 HIS 53 2HB HIS 53 0.624 0.765 6.928 320 HD1 HIS 53 HD1 HIS 53 2.396 2.289 5.437 321 HD2 HIS 53 HD2 HIS 53 -0.613 0.279 3.294 322 HE1 HIS 53 HE1 HIS 53 3.064 2.332 2.946 323 H LEU 54 H LEU 54 -1.094 -2.291 4.503 324 HA LEU 54 HA LEU 54 0.652 -3.949 6.251 325 HB3 LEU 54 1HB LEU 54 -0.674 -4.947 3.720 326 HG LEU 54 HG LEU 54 -0.897 -7.017 4.793 327 HD11 LEU 54 1HD1 LEU 54 1.786 -6.071 5.892 328 HD12 LEU 54 2HD1 LEU 54 1.501 -6.505 4.202 329 HD13 LEU 54 3HD1 LEU 54 1.306 -7.720 5.478 330 HD21 LEU 54 3HD2 LEU 54 -0.173 -5.732 7.453 331 HD22 LEU 54 1HD2 LEU 54 -0.561 -7.438 7.174 332 HD23 LEU 54 2HD2 LEU 54 -1.803 -6.206 6.922 333 H LYS 55 H LYS 55 2.791 -3.734 5.829 334 HA LYS 55 HA LYS 55 3.744 -2.991 3.096 335 HB3 LYS 55 1HB LYS 55 5.937 -2.852 4.207 336 HG3 LYS 55 1HG LYS 55 4.563 -0.812 3.919 337 HD3 LYS 55 1HD LYS 55 2.831 -1.007 5.590 338 HE3 LYS 55 1HE LYS 55 5.037 -0.948 7.710 339 HZ1 LYS 55 3HZ LYS 55 2.079 -1.197 7.971 340 HZ2 LYS 55 1HZ LYS 55 3.005 0.097 8.445 341 HZ3 LYS 55 2HZ LYS 55 3.144 -1.335 9.208 342 H VAL 56 H VAL 56 3.740 -4.771 1.835 343 HA VAL 56 HA VAL 56 4.607 -7.408 2.898 344 HB VAL 56 HB VAL 56 3.598 -6.677 0.103 345 HG11 VAL 56 1HG1 VAL 56 3.930 -9.352 1.542 346 HG12 VAL 56 2HG1 VAL 56 3.115 -9.149 -0.016 347 HG13 VAL 56 3HG1 VAL 56 4.842 -8.795 0.125 348 HG21 VAL 56 3HG2 VAL 56 1.989 -7.850 2.401 349 HG22 VAL 56 1HG2 VAL 56 1.823 -6.191 1.763 350 HG23 VAL 56 2HG2 VAL 56 1.426 -7.558 0.743 351 H GLU 57 H GLU 57 6.583 -7.960 2.920 352 HA GLU 57 HA GLU 57 8.576 -6.606 1.419 353 HB3 GLU 57 1HB GLU 57 9.024 -9.264 2.771 354 HG3 GLU 57 1HG GLU 57 10.534 -6.637 2.560 355 H ASP 58 H ASP 58 8.794 -6.716 -0.651 356 HA ASP 58 HA ASP 58 8.403 -9.155 -2.279 357 HB3 ASP 58 1HB ASP 58 9.056 -6.370 -3.274 358 H GLY 59 H GLY 59 10.386 -8.207 -4.317 359 HA2 GLY 59 1HA GLY 59 12.804 -7.803 -4.466 360 HA3 GLY 59 2HA GLY 59 13.010 -8.723 -2.959 361 HA PRO 60 HA PRO 60 13.855 -11.872 -6.168 362 HB3 PRO 60 1HB PRO 60 15.336 -13.428 -5.188 363 HG3 PRO 60 1HG PRO 60 16.254 -11.267 -4.652 364 HD3 PRO 60 1HD PRO 60 14.998 -9.680 -3.468 365 H GLY 61 H GLY 61 11.871 -12.315 -3.229 366 HA2 GLY 61 1HA GLY 61 10.052 -14.226 -4.630 367 HA3 GLY 61 2HA GLY 61 10.002 -13.786 -2.917 368 H ARG 62 H ARG 62 8.489 -13.306 -5.801 369 HA ARG 62 HA ARG 62 7.676 -10.514 -5.424 370 HB3 ARG 62 1HB ARG 62 6.492 -12.275 -7.557 371 HG3 ARG 62 1HG ARG 62 7.230 -10.401 -9.027 372 HD3 ARG 62 1HD ARG 62 5.620 -9.234 -6.723 373 HE ARG 62 HE ARG 62 5.189 -8.685 -9.612 374 HH11 ARG 62 1HH1 ARG 62 6.422 -7.355 -6.548 375 HH12 ARG 62 2HH1 ARG 62 6.487 -5.748 -7.188 376 HH21 ARG 62 1HH2 ARG 62 5.368 -6.641 -10.382 377 HH22 ARG 62 2HH2 ARG 62 5.999 -5.352 -9.412 378 H ARG 63 H ARG 63 6.850 -12.286 -3.302 379 HA ARG 63 HA ARG 63 4.333 -13.496 -3.675 380 HB3 ARG 63 1HB ARG 63 5.828 -12.686 -1.158 381 HG3 ARG 63 1HG ARG 63 3.300 -14.331 -1.527 382 HD3 ARG 63 1HD ARG 63 4.729 -15.898 -0.439 383 HE ARG 63 HE ARG 63 6.580 -14.828 0.458 384 HH11 ARG 63 1HH1 ARG 63 3.744 -13.927 2.425 385 HH12 ARG 63 2HH1 ARG 63 4.772 -13.427 3.751 386 HH21 ARG 63 1HH2 ARG 63 7.770 -14.116 2.250 387 HH22 ARG 63 2HH2 ARG 63 6.913 -13.538 3.658 388 H LEU 64 H LEU 64 2.339 -12.939 -3.403 389 HA LEU 64 HA LEU 64 0.405 -11.840 -3.250 390 HB3 LEU 64 1HB LEU 64 1.625 -9.621 -1.628 391 HG LEU 64 HG LEU 64 -0.912 -9.851 -2.165 392 HD11 LEU 64 1HD1 LEU 64 -2.179 -11.408 -0.733 393 HD12 LEU 64 2HD1 LEU 64 -0.669 -12.069 -0.087 394 HD13 LEU 64 3HD1 LEU 64 -1.080 -12.299 -1.796 395 HD21 LEU 64 3HD2 LEU 64 -1.621 -9.276 0.172 396 HD22 LEU 64 1HD2 LEU 64 -0.235 -8.358 -0.391 397 HD23 LEU 64 2HD2 LEU 64 -0.007 -9.716 0.750 398 H GLY 65 H GLY 65 3.063 -9.488 -3.941 399 HA2 GLY 65 1HA GLY 65 1.465 -7.745 -5.554 400 HA3 GLY 65 2HA GLY 65 3.230 -7.945 -5.684 401 H ARG 66 H ARG 66 3.022 -10.822 -6.369 402 HA ARG 66 HA ARG 66 2.468 -10.827 -9.192 403 HB3 ARG 66 1HB ARG 66 2.659 -13.116 -7.193 404 HG3 ARG 66 1HG ARG 66 2.992 -13.090 -10.234 405 HD3 ARG 66 1HD ARG 66 3.292 -15.567 -9.895 406 HE ARG 66 HE ARG 66 5.274 -13.818 -9.979 407 HH11 ARG 66 1HH2 ARG 66 4.960 -16.557 -7.746 408 HH12 ARG 66 2HH2 ARG 66 6.680 -16.769 -7.626 409 HH21 ARG 66 1HH1 ARG 66 7.488 -14.146 -9.757 410 HH22 ARG 66 2HH1 ARG 66 8.084 -15.409 -8.733 411 H SER 67 H SER 67 0.497 -11.798 -6.360 412 HA SER 67 HA SER 67 -1.733 -12.864 -7.832 413 HB3 SER 67 1HB SER 67 -2.810 -13.022 -5.722 414 HG SER 67 HG SER 67 -1.235 -14.013 -4.470 415 H PHE 68 H PHE 68 -0.939 -9.631 -6.563 416 HA PHE 68 HA PHE 68 -3.444 -8.435 -7.445 417 HB3 PHE 68 1HB PHE 68 -1.992 -6.302 -6.908 418 HD1 PHE 68 HD2 PHE 68 -4.329 -6.059 -6.136 419 HD2 PHE 68 HD1 PHE 68 -1.446 -8.459 -4.049 420 HE1 PHE 68 HE2 PHE 68 -5.782 -6.042 -4.120 421 HE2 PHE 68 HE1 PHE 68 -2.864 -8.428 -2.013 422 HZ PHE 68 HZ PHE 68 -5.070 -7.238 -2.074 423 H GLN 69 H GLN 69 -0.755 -9.459 -9.167 424 HA GLN 69 HA GLN 69 0.096 -9.108 -11.230 425 HB3 GLN 69 1HB GLN 69 -1.324 -8.412 -13.021 426 HG3 GLN 69 1HG GLN 69 -2.176 -10.490 -11.307 427 HE21 GLN 69 2HE2 GLN 69 -3.732 -9.981 -9.607 428 HE22 GLN 69 1HE2 GLN 69 -5.332 -9.400 -9.989 429 H VAL 70 H VAL 70 1.051 -7.362 -9.312 430 HA VAL 70 HA VAL 70 0.667 -4.612 -9.722 431 HB VAL 70 HB VAL 70 2.928 -6.198 -8.498 432 HG11 VAL 70 1HG1 VAL 70 4.040 -4.131 -9.211 433 HG12 VAL 70 2HG1 VAL 70 2.695 -3.163 -8.623 434 HG13 VAL 70 3HG1 VAL 70 3.735 -4.042 -7.480 435 HG21 VAL 70 3HG2 VAL 70 0.837 -4.335 -7.271 436 HG22 VAL 70 1HG2 VAL 70 0.693 -6.097 -7.364 437 HG23 VAL 70 2HG2 VAL 70 1.991 -5.384 -6.414 438 H LYS 71 H LYS 71 1.188 -3.206 -11.184 439 HA LYS 71 HA LYS 71 2.360 -3.951 -13.676 440 HB3 LYS 71 1HB LYS 71 2.039 -1.523 -14.214 441 HG3 LYS 71 1HG LYS 71 -0.345 -1.277 -13.785 442 HD3 LYS 71 1HD LYS 71 0.615 -2.916 -15.610 443 HE3 LYS 71 1HE LYS 71 -1.023 -4.770 -13.812 444 HZ1 LYS 71 3HZ LYS 71 -1.374 -5.151 -16.181 445 HZ2 LYS 71 1HZ LYS 71 -0.555 -6.395 -15.518 446 HZ3 LYS 71 2HZ LYS 71 0.228 -5.308 -16.448 447 H LEU 72 H LEU 72 3.666 -1.895 -11.096 448 HA LEU 72 HA LEU 72 6.365 -1.913 -12.398 449 HB3 LEU 72 1HB LEU 72 5.200 0.157 -10.494 450 HG LEU 72 HG LEU 72 7.766 0.135 -10.761 451 HD11 LEU 72 1HD1 LEU 72 7.930 -0.543 -13.120 452 HD12 LEU 72 2HD1 LEU 72 8.659 1.043 -12.884 453 HD13 LEU 72 3HD1 LEU 72 7.042 0.920 -13.619 454 HD21 LEU 72 3HD2 LEU 72 7.884 2.576 -11.106 455 HD22 LEU 72 1HD2 LEU 72 6.482 2.147 -10.106 456 HD23 LEU 72 2HD2 LEU 72 6.263 2.565 -11.826 457 H TRP 73 H TRP 73 6.582 -0.713 -9.349 458 HA TRP 73 HA TRP 73 6.600 -3.246 -7.885 459 HB3 TRP 73 1HB TRP 73 9.139 -1.680 -8.108 460 HD1 TRP 73 HD TRP 73 8.696 -5.472 -8.007 461 HE1 TRP 73 HE1 TRP 73 9.747 -6.406 -5.869 462 HE3 TRP 73 HE3 TRP 73 9.870 -1.053 -5.736 463 HZ2 TRP 73 HZ2 TRP 73 11.394 -5.335 -3.690 464 HZ3 TRP 73 HZ3 TRP 73 11.194 -1.033 -3.646 465 HH2 TRP 73 HH TRP 73 12.011 -3.148 -2.658 466 HA PRO 74 HA PRO 74 6.700 0.303 -4.780 467 HB3 PRO 74 1HB PRO 74 8.272 1.940 -5.121 468 HG3 PRO 74 1HG PRO 74 8.798 2.700 -7.329 469 HD3 PRO 74 1HD PRO 74 9.050 0.377 -7.454 470 H THR 75 H THR 75 4.603 -0.453 -4.788 471 HA THR 75 HA THR 75 2.426 1.080 -6.122 472 HB THR 75 HB THR 75 2.982 -1.903 -6.520 473 HG1 THR 75 HG1 THR 75 3.788 0.208 -7.816 474 HG21 THR 75 3HG2 THR 75 0.614 -0.169 -7.349 475 HG22 THR 75 1HG2 THR 75 0.582 -1.660 -6.393 476 HG23 THR 75 2HG2 THR 75 0.987 -1.715 -8.112 477 H PHE 76 H PHE 76 0.604 1.013 -5.000 478 HA PHE 76 HA PHE 76 0.284 -0.930 -2.812 479 HB3 PHE 76 1HB PHE 76 1.137 0.683 -1.429 480 HD1 PHE 76 HD2 PHE 76 2.891 1.834 -2.758 481 HD2 PHE 76 HD1 PHE 76 -1.135 3.309 -2.370 482 HE1 PHE 76 HE2 PHE 76 3.624 4.031 -3.654 483 HE2 PHE 76 HE1 PHE 76 -0.367 5.531 -3.112 484 HZ PHE 76 HZ PHE 76 1.976 5.874 -3.851 485 H VAL 77 H VAL 77 -1.607 -1.731 -2.669 486 HA VAL 77 HA VAL 77 -3.793 -0.746 -4.455 487 HB VAL 77 HB VAL 77 -3.307 -3.542 -3.397 488 HG11 VAL 77 1HG1 VAL 77 -5.689 -3.132 -3.807 489 HG12 VAL 77 2HG1 VAL 77 -5.346 -2.382 -5.348 490 HG13 VAL 77 3HG1 VAL 77 -5.062 -4.098 -5.141 491 HG21 VAL 77 3HG2 VAL 77 -3.000 -2.499 -6.255 492 HG22 VAL 77 1HG2 VAL 77 -1.635 -2.714 -5.177 493 HG23 VAL 77 2HG2 VAL 77 -2.613 -4.116 -5.657 494 H PHE 78 H PHE 78 -5.563 0.052 -3.563 495 HA PHE 78 HA PHE 78 -5.875 0.085 -0.604 496 HB3 PHE 78 1HB PHE 78 -7.721 1.697 -1.094 497 HD1 PHE 78 HD2 PHE 78 -5.013 2.218 -3.628 498 HD2 PHE 78 HD1 PHE 78 -6.520 3.355 0.258 499 HE1 PHE 78 HE2 PHE 78 -3.243 3.926 -3.432 500 HE2 PHE 78 HE1 PHE 78 -4.787 5.150 0.364 501 HZ PHE 78 HZ PHE 78 -3.179 5.431 -1.504 502 H LEU 79 H LEU 79 -7.012 -1.463 0.350 503 HA LEU 79 HA LEU 79 -9.223 -2.806 -1.128 504 HB3 LEU 79 1HB LEU 79 -9.002 -4.445 0.914 505 HG LEU 79 HG LEU 79 -8.539 -5.092 -1.396 506 HD11 LEU 79 1HD1 LEU 79 -5.759 -4.030 -0.812 507 HD12 LEU 79 2HD1 LEU 79 -6.911 -3.557 -2.101 508 HD13 LEU 79 3HD1 LEU 79 -6.146 -5.135 -2.152 509 HD21 LEU 79 3HD2 LEU 79 -8.216 -6.639 0.512 510 HD22 LEU 79 1HD2 LEU 79 -6.507 -6.152 0.611 511 HD23 LEU 79 2HD2 LEU 79 -7.122 -6.993 -0.834 512 H ARG 80 H ARG 80 -11.126 -3.142 -0.075 513 HA ARG 80 HA ARG 80 -11.761 -2.319 2.608 514 HB3 ARG 80 1HB ARG 80 -13.198 -0.645 0.513 515 HG3 ARG 80 1HG ARG 80 -12.759 -0.368 3.510 516 HD3 ARG 80 1HD ARG 80 -14.221 1.516 1.604 517 HE ARG 80 HE ARG 80 -14.711 1.246 4.253 518 HH11 ARG 80 1HH1 ARG 80 -13.020 3.902 2.558 519 HH12 ARG 80 2HH1 ARG 80 -13.466 5.034 3.793 520 HH21 ARG 80 1HH2 ARG 80 -15.207 2.813 5.778 521 HH22 ARG 80 2HH2 ARG 80 -14.648 4.442 5.570 522 H ASP 81 H ASP 81 -13.599 -3.364 3.261 523 HA ASP 81 HA ASP 81 -15.131 -5.031 3.310 524 HB3 ASP 81 1HB ASP 81 -15.888 -4.340 0.450 525 H GLY 82 H GLY 82 -12.398 -5.578 2.344 526 HA2 GLY 82 1HA GLY 82 -11.212 -7.529 1.914 527 HA3 GLY 82 2HA GLY 82 -12.718 -8.352 1.477 528 H ARG 83 H ARG 83 -12.854 -5.712 -0.436 529 HA ARG 83 HA ARG 83 -11.592 -7.087 -2.742 530 HB3 ARG 83 1HB ARG 83 -13.915 -5.104 -2.645 531 HG3 ARG 83 1HG ARG 83 -12.981 -7.063 -4.799 532 HD3 ARG 83 1HD ARG 83 -14.776 -5.951 -6.179 533 HE ARG 83 HE ARG 83 -15.212 -8.013 -4.352 534 HH11 ARG 83 1HH1 ARG 83 -17.258 -5.549 -5.875 535 HH12 ARG 83 2HH1 ARG 83 -18.674 -6.559 -5.819 536 HH21 ARG 83 1HH2 ARG 83 -17.090 -9.254 -4.289 537 HH22 ARG 83 2HH2 ARG 83 -18.570 -8.633 -4.954 538 H GLU 84 H GLU 84 -10.503 -5.827 -4.242 539 HA GLU 84 HA GLU 84 -9.086 -3.428 -3.394 540 HB3 GLU 84 1HB GLU 84 -9.388 -4.807 -6.080 541 HG3 GLU 84 1HG GLU 84 -7.759 -2.345 -5.385 542 H VAL 85 H VAL 85 -9.867 -1.445 -3.296 543 HA VAL 85 HA VAL 85 -12.298 -0.627 -4.854 544 HB VAL 85 HB VAL 85 -12.238 1.413 -3.399 545 HG11 VAL 85 1HG1 VAL 85 -13.346 0.333 -1.529 546 HG12 VAL 85 2HG1 VAL 85 -13.779 -0.498 -3.037 547 HG13 VAL 85 3HG1 VAL 85 -12.575 -1.226 -1.929 548 HG21 VAL 85 3HG2 VAL 85 -9.844 1.175 -2.584 549 HG22 VAL 85 1HG2 VAL 85 -11.038 1.432 -1.291 550 HG23 VAL 85 2HG2 VAL 85 -10.386 -0.187 -1.577 551 H ALA 86 H ALA 86 -8.858 -0.124 -4.617 552 HA ALA 86 HA ALA 86 -8.656 1.197 -7.146 553 HB1 ALA 86 3HB ALA 86 -9.443 3.166 -5.801 554 HB2 ALA 86 1HB ALA 86 -8.108 2.860 -4.641 555 HB3 ALA 86 2HB ALA 86 -7.771 3.393 -6.292 556 H ARG 87 H ARG 87 -6.306 2.137 -7.308 557 HA ARG 87 HA ARG 87 -4.407 1.284 -5.325 558 HB3 ARG 87 1HB ARG 87 -4.570 -0.791 -6.533 559 HG3 ARG 87 1HG ARG 87 -3.589 0.809 -8.945 560 HD3 ARG 87 1HD ARG 87 -2.416 -1.345 -8.365 561 HE ARG 87 HE ARG 87 -5.078 -2.415 -8.445 562 HH11 ARG 87 1HH1 ARG 87 -1.863 -3.294 -9.726 563 HH12 ARG 87 2HH1 ARG 87 -2.247 -5.002 -9.670 564 HH21 ARG 87 1HH2 ARG 87 -5.422 -4.616 -8.347 565 HH22 ARG 87 2HH2 ARG 87 -4.188 -5.715 -8.958 566 H VAL 88 H VAL 88 -2.370 2.224 -5.576 567 HA VAL 88 HA VAL 88 -2.070 4.345 -7.703 568 HB VAL 88 HB VAL 88 -1.400 4.468 -4.777 569 HG11 VAL 88 1HG1 VAL 88 0.454 5.578 -6.010 570 HG12 VAL 88 2HG1 VAL 88 -0.714 6.523 -6.953 571 HG13 VAL 88 3HG1 VAL 88 -0.520 6.806 -5.209 572 HG21 VAL 88 3HG2 VAL 88 -3.151 6.444 -6.252 573 HG22 VAL 88 1HG2 VAL 88 -3.765 5.056 -5.324 574 HG23 VAL 88 2HG2 VAL 88 -2.836 6.315 -4.497 575 H VAL 89 H VAL 89 -0.050 4.446 -8.609 576 HA VAL 89 HA VAL 89 2.144 2.698 -7.638 577 HB VAL 89 HB VAL 89 1.155 1.230 -9.176 578 HG11 VAL 89 1HG1 VAL 89 -0.438 2.624 -10.351 579 HG12 VAL 89 2HG1 VAL 89 0.870 3.461 -11.217 580 HG13 VAL 89 3HG1 VAL 89 0.564 1.745 -11.498 581 HG21 VAL 89 3HG2 VAL 89 3.660 1.628 -9.461 582 HG22 VAL 89 1HG2 VAL 89 2.828 0.900 -10.850 583 HG23 VAL 89 2HG2 VAL 89 3.265 2.620 -10.877 584 H ARG 90 H ARG 90 4.091 3.534 -7.871 585 HA ARG 90 HA ARG 90 5.738 5.051 -8.110 586 HB3 ARG 90 1HB ARG 90 4.585 5.771 -10.818 587 HG3 ARG 90 1HG ARG 90 7.401 5.337 -9.713 588 HD3 ARG 90 1HD ARG 90 6.573 6.488 -12.411 589 HE ARG 90 HE ARG 90 9.259 5.455 -11.678 590 HH11 ARG 90 1HH1 ARG 90 7.354 8.351 -12.393 591 HH12 ARG 90 2HH1 ARG 90 8.764 9.344 -12.552 592 HH21 ARG 90 1HH2 ARG 90 11.032 6.773 -11.962 593 HH22 ARG 90 2HH2 ARG 90 10.823 8.460 -12.329 594 HA PRO 91 HA PRO 91 2.636 8.438 -6.817 595 HB3 PRO 91 1HB PRO 91 2.582 7.790 -4.689 596 HG3 PRO 91 1HG PRO 91 4.385 6.575 -3.685 597 HD3 PRO 91 1HD PRO 91 3.815 5.432 -5.703 598 H GLY 92 H GLY 92 2.939 10.375 -7.806 599 HA2 GLY 92 1HA GLY 92 5.593 11.316 -8.535 600 HA3 GLY 92 2HA GLY 92 4.031 12.062 -8.947 601 H SER 93 H SER 93 3.233 12.267 -6.142 602 HA SER 93 HA SER 93 4.995 13.749 -4.505 603 HB3 SER 93 1HB SER 93 2.995 15.530 -5.916 604 HG SER 93 HG SER 93 4.293 17.145 -4.846 605 H ALA 94 H ALA 94 3.782 14.714 -2.622 606 HA ALA 94 HA ALA 94 1.856 12.927 -1.556 607 HB1 ALA 94 3HB ALA 94 2.520 15.820 -0.831 608 HB2 ALA 94 1HB ALA 94 1.683 14.650 0.222 609 HB3 ALA 94 2HB ALA 94 3.376 14.376 -0.229 610 H SER 95 H SER 95 1.326 15.938 -3.437 611 HA SER 95 HA SER 95 -1.464 16.219 -3.011 612 HB3 SER 95 1HB SER 95 -0.190 17.900 -4.172 613 HG SER 95 HG SER 95 0.627 17.456 -6.296 614 H VAL 96 H VAL 96 0.254 13.987 -5.179 615 HA VAL 96 HA VAL 96 -2.175 13.051 -6.527 616 HB VAL 96 HB VAL 96 0.629 11.830 -6.525 617 HG11 VAL 96 1HG1 VAL 96 -1.049 10.259 -7.342 618 HG12 VAL 96 2HG1 VAL 96 -1.719 11.491 -8.431 619 HG13 VAL 96 3HG1 VAL 96 -0.081 10.853 -8.694 620 HG21 VAL 96 3HG2 VAL 96 0.776 14.140 -7.344 621 HG22 VAL 96 1HG2 VAL 96 0.971 12.997 -8.669 622 HG23 VAL 96 2HG2 VAL 96 -0.573 13.851 -8.467 623 H LEU 97 H LEU 97 0.010 11.856 -3.966 624 HA LEU 97 HA LEU 97 -1.384 9.338 -3.631 625 HB3 LEU 97 1HB LEU 97 0.124 10.291 -1.284 626 HG LEU 97 HG LEU 97 0.707 8.135 -3.399 627 HD11 LEU 97 1HD1 LEU 97 2.708 8.729 -2.166 628 HD12 LEU 97 2HD1 LEU 97 2.146 7.122 -1.744 629 HD13 LEU 97 3HD1 LEU 97 1.885 8.473 -0.609 630 HD21 LEU 97 3HD2 LEU 97 -0.967 8.200 -0.873 631 HD22 LEU 97 1HD2 LEU 97 -0.161 6.701 -1.338 632 HD23 LEU 97 2HD2 LEU 97 -1.329 7.467 -2.434 633 H GLU 98 H GLU 98 -1.445 12.365 -1.688 634 HA GLU 98 HA GLU 98 -3.495 11.654 0.095 635 HB3 GLU 98 1HB GLU 98 -4.001 14.104 0.192 636 HG3 GLU 98 1HG GLU 98 -1.026 13.452 0.402 637 H GLU 99 H GLU 99 -3.831 13.085 -3.208 638 HA GLU 99 HA GLU 99 -6.617 13.403 -3.271 639 HB3 GLU 99 1HB GLU 99 -4.598 12.697 -5.415 640 HG3 GLU 99 1HG GLU 99 -7.552 13.261 -5.716 641 H ALA 100 H ALA 100 -4.733 10.418 -3.839 642 HA ALA 100 HA ALA 100 -7.139 8.851 -4.441 643 HB1 ALA 100 3HB ALA 100 -5.579 6.948 -4.397 644 HB2 ALA 100 1HB ALA 100 -4.944 8.288 -5.373 645 HB3 ALA 100 2HB ALA 100 -4.305 8.001 -3.725 646 H PHE 101 H PHE 101 -5.196 9.543 -1.508 647 HA PHE 101 HA PHE 101 -6.367 7.484 0.109 648 HB3 PHE 101 1HB PHE 101 -5.722 9.386 1.896 649 HD1 PHE 101 HD1 PHE 101 -3.286 7.747 -0.591 650 HD2 PHE 101 HD2 PHE 101 -4.979 7.812 3.400 651 HE1 PHE 101 HE1 PHE 101 -1.668 6.085 0.148 652 HE2 PHE 101 HE2 PHE 101 -3.341 6.094 4.101 653 HZ PHE 101 HZ PHE 101 -1.655 5.257 2.424 654 H GLU 102 H GLU 102 -7.175 10.964 -0.202 655 HA GLU 102 HA GLU 102 -9.460 10.899 1.508 656 HB3 GLU 102 1HB GLU 102 -8.708 13.025 1.100 657 HG3 GLU 102 1HG GLU 102 -8.485 12.306 -1.754 658 H SER 103 H SER 103 -9.088 10.091 -1.918 659 HA SER 103 HA SER 103 -11.886 9.888 -2.526 660 HB3 SER 103 1HB SER 103 -10.958 8.583 -4.521 661 HG SER 103 HG SER 103 -9.495 10.959 -4.247 662 H LEU 104 H LEU 104 -9.611 7.600 -1.069 663 HA LEU 104 HA LEU 104 -11.644 5.400 -1.291 664 HB3 LEU 104 1HB LEU 104 -9.660 4.003 -0.519 665 HG LEU 104 HG LEU 104 -8.794 3.578 -2.592 666 HD11 LEU 104 1HD1 LEU 104 -11.403 4.849 -3.481 667 HD12 LEU 104 2HD1 LEU 104 -11.376 3.446 -2.394 668 HD13 LEU 104 3HD1 LEU 104 -10.662 3.330 -4.000 669 HD21 LEU 104 3HD2 LEU 104 -7.796 5.625 -3.277 670 HD22 LEU 104 1HD2 LEU 104 -9.396 6.402 -3.509 671 HD23 LEU 104 2HD2 LEU 104 -8.872 5.114 -4.570 672 H VAL 105 H VAL 105 -10.050 7.380 1.105 673 HA VAL 105 HA VAL 105 -11.041 5.888 3.355 674 HB VAL 105 HB VAL 105 -9.162 7.756 3.229 675 HG11 VAL 105 1HG1 VAL 105 -11.502 9.502 4.059 676 HG12 VAL 105 2HG1 VAL 105 -9.815 9.964 3.859 677 HG13 VAL 105 3HG1 VAL 105 -10.775 9.526 2.438 678 HG21 VAL 105 3HG2 VAL 105 -9.849 6.440 5.221 679 HG22 VAL 105 1HG2 VAL 105 -9.269 8.074 5.569 680 HG23 VAL 105 2HG2 VAL 105 -11.017 7.714 5.615 681 H GLY 106 H GLY 106 -12.472 8.167 1.135 682 HA2 GLY 106 1HA GLY 106 -14.762 8.472 0.783 683 HA3 GLY 106 2HA GLY 106 -15.113 7.992 2.470 684 H GLU 107 H GLU 107 -12.608 10.375 1.850 685 HA GLU 107 HA GLU 107 -14.210 12.439 3.260 686 HB3 GLU 107 1HB GLU 107 -11.821 13.612 3.009 687 HG3 GLU 107 1HG GLU 107 -11.032 12.329 5.055 688 H GLY 108 H GLY 108 -13.147 11.714 0.007 689 HA2 GLY 108 1HA GLY 108 -14.621 14.120 -0.954 690 HA3 GLY 108 2HA GLY 108 -12.960 13.904 -1.486 Start of MODEL 5 1 H1 MET 1 H MET 1 6.598 7.126 7.820 2 HA MET 1 HA MET 1 5.166 6.489 10.316 3 HB3 MET 1 1HB MET 1 4.420 4.270 9.504 4 HG3 MET 1 1HG MET 1 2.576 4.974 7.999 5 HE1 MET 1 3HE MET 1 1.167 5.177 11.586 6 HE2 MET 1 1HE MET 1 1.248 4.274 10.063 7 HE3 MET 1 2HE MET 1 2.688 4.409 11.103 8 H LYS 2 H LYS 2 6.543 5.517 11.716 9 HA LYS 2 HA LYS 2 9.315 5.202 10.870 10 HB3 LYS 2 1HB LYS 2 9.687 4.858 13.318 11 HG3 LYS 2 1HG LYS 2 8.812 6.968 14.206 12 HD3 LYS 2 1HD LYS 2 9.774 7.359 11.339 13 HE3 LYS 2 1HE LYS 2 10.005 9.071 13.850 14 HZ1 LYS 2 3HZ LYS 2 10.926 9.628 11.081 15 HZ2 LYS 2 1HZ LYS 2 11.910 9.301 12.358 16 HZ3 LYS 2 2HZ LYS 2 11.017 10.661 12.345 17 H THR 3 H THR 3 6.803 2.848 11.509 18 HA THR 3 HA THR 3 8.517 0.620 12.129 19 HB THR 3 HB THR 3 5.675 0.516 11.051 20 HG1 THR 3 HG1 THR 3 5.146 0.598 13.268 21 HG21 THR 3 3HG2 THR 3 5.576 -1.572 12.428 22 HG22 THR 3 1HG2 THR 3 7.303 -1.388 12.805 23 HG23 THR 3 2HG2 THR 3 6.768 -1.702 11.135 24 H ARG 4 H ARG 4 9.602 -0.761 10.875 25 HA ARG 4 HA ARG 4 9.874 -0.246 8.040 26 HB3 ARG 4 1HB ARG 4 11.837 -0.685 9.088 27 HG3 ARG 4 1HG ARG 4 10.960 -2.016 11.162 28 HD3 ARG 4 1HD ARG 4 11.816 -4.424 10.913 29 HE ARG 4 HE ARG 4 9.175 -3.834 9.623 30 HH11 ARG 4 1HH1 ARG 4 10.890 -5.462 12.251 31 HH12 ARG 4 2HH1 ARG 4 9.491 -6.395 12.694 32 HH21 ARG 4 1HH2 ARG 4 7.458 -5.158 10.165 33 HH22 ARG 4 2HH2 ARG 4 7.566 -6.161 11.577 34 H TYR 5 H TYR 5 9.877 -1.925 6.381 35 HA TYR 5 HA TYR 5 7.409 -3.188 5.967 36 HB3 TYR 5 1HB TYR 5 8.929 -4.605 4.324 37 HD1 TYR 5 HD1 TYR 5 9.438 -0.871 4.448 38 HD2 TYR 5 HD2 TYR 5 7.335 -4.210 2.726 39 HE1 TYR 5 HE1 TYR 5 8.508 0.624 2.701 40 HE2 TYR 5 HE2 TYR 5 6.391 -2.698 0.951 41 HH TYR 5 HH TYR 5 6.509 -0.577 -0.007 42 H SER 6 H SER 6 6.719 -5.343 5.798 43 HA SER 6 HA SER 6 8.030 -7.146 7.777 44 HB3 SER 6 1HB SER 6 5.710 -7.912 8.268 45 HG SER 6 HG SER 6 5.060 -5.909 9.304 46 H ALA 7 H ALA 7 8.616 -9.155 7.169 47 HA ALA 7 HA ALA 7 8.028 -10.074 4.452 48 HB1 ALA 7 3HB ALA 7 10.278 -10.231 5.446 49 HB2 ALA 7 1HB ALA 7 9.655 -11.323 6.713 50 HB3 ALA 7 2HB ALA 7 9.660 -11.833 5.015 51 H GLU 8 H GLU 8 6.931 -10.990 7.678 52 HA GLU 8 HA GLU 8 5.862 -13.554 6.916 53 HB3 GLU 8 1HB GLU 8 6.802 -13.235 9.085 54 HG3 GLU 8 1HG GLU 8 4.528 -11.288 9.690 55 H ALA 9 H ALA 9 4.714 -11.667 5.229 56 HA ALA 9 HA ALA 9 2.202 -10.659 6.143 57 HB1 ALA 9 3HB ALA 9 3.457 -9.595 4.334 58 HB2 ALA 9 1HB ALA 9 3.247 -11.048 3.310 59 HB3 ALA 9 2HB ALA 9 1.844 -10.078 3.760 60 HA PRO 10 HA PRO 10 -0.687 -13.972 5.335 61 HB3 PRO 10 1HB PRO 10 -2.171 -12.600 6.496 62 HG3 PRO 10 1HG PRO 10 -2.280 -10.221 6.013 63 HD3 PRO 10 1HD PRO 10 -0.077 -10.728 6.701 64 H ALA 11 H ALA 11 -2.154 -14.862 3.754 65 HA ALA 11 HA ALA 11 -1.357 -14.373 0.958 66 HB1 ALA 11 3HB ALA 11 -1.396 -16.656 1.950 67 HB2 ALA 11 1HB ALA 11 -3.128 -16.468 2.310 68 HB3 ALA 11 2HB ALA 11 -2.563 -16.541 0.618 69 H ARG 12 H ARG 12 -3.049 -14.391 -0.807 70 HA ARG 12 HA ARG 12 -4.907 -12.280 -0.520 71 HB3 ARG 12 1HB ARG 12 -5.969 -13.246 -2.632 72 HG3 ARG 12 1HG ARG 12 -4.106 -12.892 -4.128 73 HD3 ARG 12 1HD ARG 12 -3.293 -10.703 -3.508 74 HE ARG 12 HE ARG 12 -5.855 -10.534 -2.097 75 HH11 ARG 12 1HH1 ARG 12 -4.441 -10.652 -5.378 76 HH12 ARG 12 2HH1 ARG 12 -5.830 -9.878 -6.061 77 HH21 ARG 12 1HH2 ARG 12 -7.596 -9.607 -3.102 78 HH22 ARG 12 2HH2 ARG 12 -7.584 -9.307 -4.807 79 H ASP 13 H ASP 13 -5.471 -15.754 -0.070 80 HA ASP 13 HA ASP 13 -8.309 -15.625 0.272 81 HB3 ASP 13 1HB ASP 13 -7.996 -17.834 1.377 82 H GLU 14 H GLU 14 -5.729 -14.732 2.431 83 HA GLU 14 HA GLU 14 -7.427 -14.699 4.847 84 HB3 GLU 14 1HB GLU 14 -5.279 -13.884 5.887 85 HG3 GLU 14 1HG GLU 14 -5.089 -16.533 4.392 86 H LEU 15 H LEU 15 -5.866 -12.461 2.505 87 HA LEU 15 HA LEU 15 -6.739 -9.995 3.723 88 HB3 LEU 15 1HB LEU 15 -6.696 -9.215 1.252 89 HG LEU 15 HG LEU 15 -4.780 -8.864 2.889 90 HD11 LEU 15 1HD1 LEU 15 -2.680 -10.081 2.325 91 HD12 LEU 15 2HD1 LEU 15 -3.580 -11.178 1.296 92 HD13 LEU 15 3HD1 LEU 15 -3.884 -11.144 3.063 93 HD21 LEU 15 3HD2 LEU 15 -4.154 -9.182 -0.080 94 HD22 LEU 15 1HD2 LEU 15 -3.269 -8.154 1.065 95 HD23 LEU 15 2HD2 LEU 15 -4.954 -7.790 0.677 96 H ASP 16 H ASP 16 -8.401 -12.319 1.615 97 HA ASP 16 HA ASP 16 -10.654 -10.835 0.845 98 HB3 ASP 16 1HB ASP 16 -10.468 -13.774 1.620 99 H ARG 17 H ARG 17 -9.870 -12.083 3.987 100 HA ARG 17 HA ARG 17 -12.573 -11.994 5.108 101 HB3 ARG 17 1HB ARG 17 -11.410 -12.612 7.186 102 HG3 ARG 17 1HG ARG 17 -10.494 -14.169 4.725 103 HD3 ARG 17 1HD ARG 17 -9.019 -14.659 6.613 104 HE ARG 17 HE ARG 17 -11.517 -14.874 8.110 105 HH11 ARG 17 1HH1 ARG 17 -8.232 -16.179 8.053 106 HH12 ARG 17 2HH1 ARG 17 -8.234 -16.501 9.761 107 HH21 ARG 17 1HH2 ARG 17 -11.464 -15.329 10.300 108 HH22 ARG 17 2HH2 ARG 17 -10.048 -16.050 11.006 109 H LEU 18 H LEU 18 -10.153 -9.606 4.536 110 HA LEU 18 HA LEU 18 -10.666 -7.992 6.895 111 HB3 LEU 18 1HB LEU 18 -8.606 -7.967 5.430 112 HG LEU 18 HG LEU 18 -9.814 -7.197 3.225 113 HD11 LEU 18 1HD1 LEU 18 -9.663 -4.575 4.759 114 HD12 LEU 18 2HD1 LEU 18 -11.081 -5.271 3.920 115 HD13 LEU 18 3HD1 LEU 18 -9.728 -4.663 2.996 116 HD21 LEU 18 3HD2 LEU 18 -7.339 -5.812 4.345 117 HD22 LEU 18 1HD2 LEU 18 -7.755 -5.898 2.624 118 HD23 LEU 18 2HD2 LEU 18 -7.373 -7.378 3.509 119 H ALA 19 H ALA 19 -11.619 -5.791 6.891 120 HA ALA 19 HA ALA 19 -13.932 -5.503 5.008 121 HB1 ALA 19 3HB ALA 19 -15.430 -5.126 6.907 122 HB2 ALA 19 1HB ALA 19 -14.685 -6.741 6.995 123 HB3 ALA 19 2HB ALA 19 -14.096 -5.424 8.040 124 H GLY 20 H GLY 20 -11.954 -3.779 7.491 125 HA2 GLY 20 1HA GLY 20 -13.049 -1.194 6.726 126 HA3 GLY 20 2HA GLY 20 -11.658 -1.495 7.794 127 HA PRO 21 HA PRO 21 -10.336 0.136 3.516 128 HB3 PRO 21 1HB PRO 21 -11.038 2.335 3.746 129 HG3 PRO 21 1HG PRO 21 -11.442 3.254 5.903 130 HD3 PRO 21 1HD PRO 21 -12.629 1.217 5.926 131 H THR 22 H THR 22 -8.574 -1.061 3.225 132 HA THR 22 HA THR 22 -6.195 -0.739 5.038 133 HB THR 22 HB THR 22 -7.258 -3.326 3.843 134 HG1 THR 22 HG1 THR 22 -8.446 -2.559 5.613 135 HG21 THR 22 3HG2 THR 22 -4.825 -3.420 4.008 136 HG22 THR 22 1HG2 THR 22 -5.523 -4.360 5.334 137 HG23 THR 22 2HG2 THR 22 -4.869 -2.741 5.654 138 H LEU 23 H LEU 23 -4.549 0.037 3.930 139 HA LEU 23 HA LEU 23 -4.337 -0.321 1.024 140 HB3 LEU 23 1HB LEU 23 -2.590 1.185 3.011 141 HG LEU 23 HG LEU 23 -1.347 0.856 0.948 142 HD11 LEU 23 1HD1 LEU 23 -3.976 1.495 -0.320 143 HD12 LEU 23 2HD1 LEU 23 -2.746 0.271 -0.722 144 HD13 LEU 23 3HD1 LEU 23 -2.502 1.961 -1.174 145 HD21 LEU 23 3HD2 LEU 23 -1.009 3.160 0.272 146 HD22 LEU 23 1HD2 LEU 23 -1.186 3.042 2.022 147 HD23 LEU 23 2HD2 LEU 23 -2.549 3.628 1.028 148 H VAL 24 H VAL 24 -3.131 -1.908 0.122 149 HA VAL 24 HA VAL 24 -1.100 -3.332 1.798 150 HB VAL 24 HB VAL 24 -2.370 -4.331 -0.782 151 HG11 VAL 24 1HG1 VAL 24 -1.481 -6.513 -0.059 152 HG12 VAL 24 2HG1 VAL 24 -0.171 -5.337 -0.135 153 HG13 VAL 24 3HG1 VAL 24 -0.853 -5.788 1.435 154 HG21 VAL 24 3HG2 VAL 24 -3.779 -5.803 0.589 155 HG22 VAL 24 1HG2 VAL 24 -3.195 -5.015 2.074 156 HG23 VAL 24 2HG2 VAL 24 -4.172 -4.118 0.891 157 H GLU 25 H GLU 25 0.872 -2.879 1.470 158 HA GLU 25 HA GLU 25 1.787 -1.427 -0.973 159 HB3 GLU 25 1HB GLU 25 2.271 -1.243 2.007 160 HG3 GLU 25 1HG GLU 25 4.534 -1.110 0.971 161 H PHE 26 H PHE 26 3.344 -2.309 -2.177 162 HA PHE 26 HA PHE 26 4.872 -4.662 -1.159 163 HB3 PHE 26 1HB PHE 26 5.006 -5.419 -3.419 164 HD1 PHE 26 HD1 PHE 26 3.328 -6.711 -1.784 165 HD2 PHE 26 HD2 PHE 26 2.137 -3.646 -4.570 166 HE1 PHE 26 HE1 PHE 26 0.951 -7.385 -1.534 167 HE2 PHE 26 HE2 PHE 26 -0.211 -4.387 -4.383 168 HZ PHE 26 HZ PHE 26 -0.823 -6.176 -2.789 169 H GLY 27 H GLY 27 7.031 -4.548 -0.995 170 HA2 GLY 27 1HA GLY 27 8.903 -3.235 -2.539 171 HA3 GLY 27 2HA GLY 27 8.360 -1.997 -1.419 172 H THR 28 H THR 28 10.489 -1.934 -0.484 173 HA THR 28 HA THR 28 10.812 -3.835 1.741 174 HB THR 28 HB THR 28 13.208 -4.077 1.426 175 HG1 THR 28 HG1 THR 28 14.076 -3.440 -0.636 176 HG21 THR 28 3HG2 THR 28 11.808 -4.976 -1.129 177 HG22 THR 28 1HG2 THR 28 11.767 -5.826 0.420 178 HG23 THR 28 2HG2 THR 28 13.304 -5.634 -0.432 179 H ASP 29 H ASP 29 12.745 -2.900 3.174 180 HA ASP 29 HA ASP 29 12.004 -0.079 3.647 181 HB3 ASP 29 1HB ASP 29 13.882 -1.834 5.258 182 H TRP 30 H TRP 30 14.186 -1.557 1.647 183 HA TRP 30 HA TRP 30 16.374 0.431 2.056 184 HB3 TRP 30 1HB TRP 30 16.986 -1.602 3.055 185 HD1 TRP 30 HD TRP 30 15.622 -3.725 3.406 186 HE1 TRP 30 HE1 TRP 30 15.226 -5.893 2.097 187 HE3 TRP 30 HE3 TRP 30 17.635 -2.306 -1.072 188 HZ2 TRP 30 HZ2 TRP 30 15.538 -6.813 -0.643 189 HZ3 TRP 30 HZ3 TRP 30 17.571 -3.818 -3.004 190 HH2 TRP 30 HH TRP 30 16.515 -6.081 -2.815 191 H CYS 31 H CYS 31 14.338 -1.000 -0.465 192 HA CYS 31 HA CYS 31 16.182 -0.499 -2.624 193 HB2 CYS 31 1HB CYS 31 14.311 -2.059 -2.830 194 HB3 CYS 31 2HB CYS 31 13.150 -0.740 -2.647 195 H GLY 32 H GLY 32 16.353 1.229 -4.035 196 HA2 GLY 32 1HA GLY 32 15.920 3.905 -3.091 197 HA3 GLY 32 2HA GLY 32 16.422 3.450 -4.718 198 H HIS 33 H HIS 33 13.859 1.794 -5.033 199 HA HIS 33 HA HIS 33 11.967 3.835 -5.906 200 HB2 HIS 33 1HB HIS 33 11.789 0.831 -5.321 201 HB3 HIS 33 2HB HIS 33 10.388 1.774 -5.746 202 HD1 HIS 33 HD1 HIS 33 12.013 -0.624 -7.474 203 HD2 HIS 33 HD2 HIS 33 11.325 3.460 -8.195 204 HE1 HIS 33 HE1 HIS 33 11.851 -0.357 -10.001 205 H CYS 34 H CYS 34 12.198 1.734 -3.028 206 HA CYS 34 HA CYS 34 9.842 2.769 -1.724 207 HB3 CYS 34 1HB CYS 34 11.162 1.635 0.276 208 HG CYS 34 HG CYS 34 8.884 0.755 -0.587 209 H GLN 35 H GLN 35 13.261 3.775 -1.602 210 HA GLN 35 HA GLN 35 12.919 5.335 0.774 211 HB3 GLN 35 1HB GLN 35 14.983 6.520 0.165 212 HG3 GLN 35 1HG GLN 35 16.553 4.776 -0.074 213 HE21 GLN 35 2HE2 GLN 35 14.386 2.200 0.279 214 HE22 GLN 35 1HE2 GLN 35 14.382 2.178 2.047 215 H ALA 36 H ALA 36 11.963 5.918 -2.447 216 HA ALA 36 HA ALA 36 11.431 8.807 -2.134 217 HB1 ALA 36 3HB ALA 36 10.689 8.611 -4.482 218 HB2 ALA 36 1HB ALA 36 12.289 7.880 -4.276 219 HB3 ALA 36 2HB ALA 36 10.849 6.845 -4.408 220 H ALA 37 H ALA 37 9.571 5.734 -2.269 221 HA ALA 37 HA ALA 37 7.006 7.138 -2.130 222 HB1 ALA 37 3HB ALA 37 7.298 5.165 -3.535 223 HB2 ALA 37 1HB ALA 37 7.688 4.173 -2.110 224 HB3 ALA 37 2HB ALA 37 6.062 4.893 -2.291 225 H GLN 38 H GLN 38 9.118 5.489 0.192 226 HA GLN 38 HA GLN 38 7.188 5.070 2.256 227 HB3 GLN 38 1HB GLN 38 9.298 5.274 3.756 228 HG3 GLN 38 1HG GLN 38 9.238 3.185 1.516 229 HE21 GLN 38 2HE2 GLN 38 9.399 2.455 4.968 230 HE22 GLN 38 1HE2 GLN 38 11.065 1.884 4.942 231 HA PRO 39 HA PRO 39 8.106 9.379 4.080 232 HB3 PRO 39 1HB PRO 39 10.236 10.154 3.665 233 HG3 PRO 39 1HG PRO 39 11.283 9.808 1.562 234 HD3 PRO 39 1HD PRO 39 10.651 7.681 2.364 235 H LEU 40 H LEU 40 7.131 8.737 0.812 236 HA LEU 40 HA LEU 40 5.420 11.067 0.446 237 HB3 LEU 40 1HB LEU 40 4.657 8.586 -0.988 238 HG LEU 40 HG LEU 40 4.885 9.741 -2.951 239 HD11 LEU 40 1HD1 LEU 40 3.457 11.535 -2.760 240 HD12 LEU 40 2HD1 LEU 40 4.155 12.117 -1.228 241 HD13 LEU 40 3HD1 LEU 40 3.120 10.675 -1.258 242 HD21 LEU 40 3HD2 LEU 40 6.619 11.811 -1.574 243 HD22 LEU 40 1HD2 LEU 40 6.067 11.876 -3.270 244 HD23 LEU 40 2HD2 LEU 40 7.133 10.566 -2.739 245 H LEU 41 H LEU 41 4.838 7.612 1.215 246 HA LEU 41 HA LEU 41 2.097 7.836 1.970 247 HB3 LEU 41 1HB LEU 41 2.733 5.818 3.490 248 HG LEU 41 HG LEU 41 2.417 4.223 1.808 249 HD11 LEU 41 1HD1 LEU 41 0.506 4.938 0.566 250 HD12 LEU 41 2HD1 LEU 41 0.967 6.637 0.676 251 HD13 LEU 41 3HD1 LEU 41 0.477 5.754 2.139 252 HD21 LEU 41 3HD2 LEU 41 3.458 6.225 -0.202 253 HD22 LEU 41 1HD2 LEU 41 2.708 4.662 -0.604 254 HD23 LEU 41 2HD2 LEU 41 4.216 4.724 0.327 255 H ALA 42 H ALA 42 5.088 8.130 3.918 256 HA ALA 42 HA ALA 42 3.959 8.645 6.429 257 HB1 ALA 42 3HB ALA 42 6.410 8.389 5.845 258 HB2 ALA 42 1HB ALA 42 6.379 10.072 5.262 259 HB3 ALA 42 2HB ALA 42 6.059 9.718 6.961 260 H GLU 43 H GLU 43 4.319 10.999 3.754 261 HA GLU 43 HA GLU 43 3.409 13.280 5.336 262 HB3 GLU 43 1HB GLU 43 3.132 14.304 2.983 263 HG3 GLU 43 1HG GLU 43 5.667 14.230 2.563 264 H VAL 44 H VAL 44 1.801 11.127 2.915 265 HA VAL 44 HA VAL 44 -0.728 12.537 3.130 266 HB VAL 44 HB VAL 44 -0.381 11.452 1.103 267 HG11 VAL 44 1HG1 VAL 44 -0.142 8.752 2.447 268 HG12 VAL 44 2HG1 VAL 44 -0.138 9.145 0.708 269 HG13 VAL 44 3HG1 VAL 44 1.170 9.706 1.694 270 HG21 VAL 44 3HG2 VAL 44 -2.722 11.326 2.003 271 HG22 VAL 44 1HG2 VAL 44 -2.330 10.088 0.808 272 HG23 VAL 44 2HG2 VAL 44 -2.392 9.677 2.530 273 H PHE 45 H PHE 45 0.378 9.443 4.513 274 HA PHE 45 HA PHE 45 -2.067 8.660 5.659 275 HB3 PHE 45 1HB PHE 45 0.422 7.738 7.031 276 HD1 PHE 45 HD2 PHE 45 -2.084 6.878 8.061 277 HD2 PHE 45 HD1 PHE 45 -0.076 5.504 4.499 278 HE1 PHE 45 HE2 PHE 45 -3.367 4.796 8.140 279 HE2 PHE 45 HE1 PHE 45 -1.357 3.388 4.591 280 HZ PHE 45 HZ PHE 45 -3.025 3.028 6.392 281 H SER 46 H SER 46 0.251 10.948 6.900 282 HA SER 46 HA SER 46 -0.397 10.919 9.687 283 HB3 SER 46 1HB SER 46 0.355 13.316 9.610 284 HG SER 46 HG SER 46 2.181 11.688 8.149 285 H ASP 47 H ASP 47 -2.341 12.049 6.975 286 HA ASP 47 HA ASP 47 -4.240 13.439 8.809 287 HB3 ASP 47 1HB ASP 47 -4.348 13.246 5.798 288 H TYR 48 H TYR 48 -3.766 10.349 7.551 289 HA TYR 48 HA TYR 48 -6.650 9.612 7.868 290 HB3 TYR 48 1HB TYR 48 -6.538 8.182 5.943 291 HD1 TYR 48 HD2 TYR 48 -8.139 10.160 5.595 292 HD2 TYR 48 HD1 TYR 48 -4.005 10.209 4.413 293 HE1 TYR 48 HE2 TYR 48 -8.622 12.027 4.042 294 HE2 TYR 48 HE1 TYR 48 -4.440 12.204 2.980 295 HH TYR 48 HH TYR 48 -7.700 13.653 2.643 296 HA PRO 49 HA PRO 49 -3.506 6.751 10.136 297 HB3 PRO 49 1HB PRO 49 -2.951 8.178 11.845 298 HG3 PRO 49 1HG PRO 49 -4.441 9.895 12.577 299 HD3 PRO 49 1HD PRO 49 -4.073 10.162 10.252 300 H GLU 50 H GLU 50 -6.999 7.297 10.298 301 HA GLU 50 HA GLU 50 -7.720 4.816 11.498 302 HB3 GLU 50 1HB GLU 50 -9.195 6.746 11.368 303 HG3 GLU 50 1HG GLU 50 -9.508 6.097 8.401 304 H VAL 51 H VAL 51 -6.366 5.378 8.360 305 HA VAL 51 HA VAL 51 -7.551 2.985 7.083 306 HB VAL 51 HB VAL 51 -5.225 4.743 6.224 307 HG11 VAL 51 1HG1 VAL 51 -5.011 2.566 5.128 308 HG12 VAL 51 2HG1 VAL 51 -6.722 2.596 4.665 309 HG13 VAL 51 3HG1 VAL 51 -5.567 3.754 3.961 310 HG21 VAL 51 3HG2 VAL 51 -8.115 4.683 5.266 311 HG22 VAL 51 1HG2 VAL 51 -7.382 5.963 6.250 312 HG23 VAL 51 2HG2 VAL 51 -6.815 5.692 4.605 313 H GLY 52 H GLY 52 -6.545 0.949 6.900 314 HA2 GLY 52 1HA GLY 52 -4.325 0.312 8.771 315 HA3 GLY 52 2HA GLY 52 -5.277 -0.829 7.806 316 H HIS 53 H HIS 53 -2.279 -0.562 8.061 317 HA HIS 53 HA HIS 53 -1.751 -0.362 5.133 318 HB2 HIS 53 1HB HIS 53 -0.995 1.676 6.549 319 HB3 HIS 53 2HB HIS 53 0.235 0.612 7.207 320 HD1 HIS 53 HD1 HIS 53 2.032 2.339 6.025 321 HD2 HIS 53 HD2 HIS 53 -0.545 0.290 3.416 322 HE1 HIS 53 HE1 HIS 53 3.003 2.608 3.665 323 H LEU 54 H LEU 54 -0.941 -2.182 4.365 324 HA LEU 54 HA LEU 54 0.620 -4.012 6.145 325 HB3 LEU 54 1HB LEU 54 -1.228 -4.542 3.790 326 HG LEU 54 HG LEU 54 0.513 -6.237 3.648 327 HD11 LEU 54 1HD1 LEU 54 1.487 -6.169 5.904 328 HD12 LEU 54 2HD1 LEU 54 0.963 -7.805 5.523 329 HD13 LEU 54 3HD1 LEU 54 -0.029 -6.795 6.596 330 HD21 LEU 54 3HD2 LEU 54 -1.956 -7.379 5.016 331 HD22 LEU 54 1HD2 LEU 54 -0.866 -8.215 3.876 332 HD23 LEU 54 2HD2 LEU 54 -1.874 -6.873 3.315 333 H LYS 55 H LYS 55 2.618 -3.198 5.807 334 HA LYS 55 HA LYS 55 3.789 -2.807 3.129 335 HB3 LYS 55 1HB LYS 55 5.879 -2.658 4.718 336 HG3 LYS 55 1HG LYS 55 3.698 -0.631 4.416 337 HD3 LYS 55 1HD LYS 55 5.340 1.053 5.195 338 HE3 LYS 55 1HE LYS 55 4.688 -0.967 7.394 339 HZ1 LYS 55 3HZ LYS 55 4.463 1.075 8.703 340 HZ2 LYS 55 1HZ LYS 55 4.952 1.993 7.433 341 HZ3 LYS 55 2HZ LYS 55 5.996 0.933 8.134 342 H VAL 56 H VAL 56 3.893 -4.704 1.996 343 HA VAL 56 HA VAL 56 4.976 -7.162 3.306 344 HB VAL 56 HB VAL 56 3.869 -6.836 0.475 345 HG11 VAL 56 1HG1 VAL 56 4.609 -9.303 2.114 346 HG12 VAL 56 2HG1 VAL 56 3.730 -9.336 0.567 347 HG13 VAL 56 3HG1 VAL 56 5.398 -8.757 0.628 348 HG21 VAL 56 3HG2 VAL 56 1.915 -8.113 1.479 349 HG22 VAL 56 1HG2 VAL 56 2.562 -7.713 3.082 350 HG23 VAL 56 2HG2 VAL 56 2.056 -6.422 1.958 351 H GLU 57 H GLU 57 6.924 -7.580 3.335 352 HA GLU 57 HA GLU 57 8.905 -6.206 1.770 353 HB3 GLU 57 1HB GLU 57 9.452 -8.683 3.425 354 HG3 GLU 57 1HG GLU 57 10.875 -6.038 3.049 355 H ASP 58 H ASP 58 9.061 -6.641 -0.364 356 HA ASP 58 HA ASP 58 8.380 -9.244 -1.500 357 HB3 ASP 58 1HB ASP 58 9.420 -6.737 -2.847 358 H GLY 59 H GLY 59 9.751 -10.450 -2.950 359 HA2 GLY 59 1HA GLY 59 12.678 -10.171 -2.709 360 HA3 GLY 59 2HA GLY 59 11.967 -11.644 -2.053 361 HA PRO 60 HA PRO 60 13.170 -12.100 -6.626 362 HB3 PRO 60 1HB PRO 60 14.933 -13.673 -6.747 363 HG3 PRO 60 1HG PRO 60 15.670 -11.910 -5.302 364 HD3 PRO 60 1HD PRO 60 14.492 -11.330 -3.378 365 H GLY 61 H GLY 61 11.998 -13.226 -8.092 366 HA2 GLY 61 1HA GLY 61 10.465 -14.764 -8.979 367 HA3 GLY 61 2HA GLY 61 10.258 -15.504 -7.383 368 H ARG 62 H ARG 62 9.830 -12.545 -6.433 369 HA ARG 62 HA ARG 62 8.307 -10.960 -6.159 370 HB3 ARG 62 1HB ARG 62 6.620 -12.009 -8.450 371 HG3 ARG 62 1HG ARG 62 7.385 -9.172 -7.670 372 HD3 ARG 62 1HD ARG 62 5.114 -10.113 -9.453 373 HE ARG 62 HE ARG 62 6.361 -7.486 -8.919 374 HH11 ARG 62 1HH1 ARG 62 4.168 -9.245 -11.096 375 HH12 ARG 62 2HH1 ARG 62 3.616 -7.772 -11.834 376 HH21 ARG 62 1HH2 ARG 62 5.704 -5.651 -10.082 377 HH22 ARG 62 2HH2 ARG 62 4.449 -5.831 -11.264 378 H ARG 63 H ARG 63 6.946 -10.880 -4.489 379 HA ARG 63 HA ARG 63 5.629 -13.391 -3.630 380 HB3 ARG 63 1HB ARG 63 5.654 -12.349 -1.405 381 HG3 ARG 63 1HG ARG 63 8.358 -12.031 -2.771 382 HD3 ARG 63 1HD ARG 63 8.160 -11.302 -0.379 383 HE ARG 63 HE ARG 63 7.468 -14.186 0.042 384 HH11 ARG 63 1HH1 ARG 63 7.784 -10.948 1.515 385 HH12 ARG 63 2HH1 ARG 63 6.992 -11.519 2.978 386 HH21 ARG 63 1HH2 ARG 63 6.550 -14.756 2.028 387 HH22 ARG 63 2HH2 ARG 63 6.403 -13.551 3.282 388 H LEU 64 H LEU 64 3.978 -11.244 -1.842 389 HA LEU 64 HA LEU 64 1.475 -11.843 -2.916 390 HB3 LEU 64 1HB LEU 64 2.142 -9.377 -1.300 391 HG LEU 64 HG LEU 64 -0.289 -9.696 -1.893 392 HD11 LEU 64 1HD1 LEU 64 -0.480 -12.109 -2.116 393 HD12 LEU 64 2HD1 LEU 64 -1.543 -11.586 -0.806 394 HD13 LEU 64 3HD1 LEU 64 0.022 -12.342 -0.428 395 HD21 LEU 64 3HD2 LEU 64 0.405 -10.162 1.033 396 HD22 LEU 64 1HD2 LEU 64 -1.190 -9.640 0.431 397 HD23 LEU 64 2HD2 LEU 64 0.202 -8.595 0.215 398 H GLY 65 H GLY 65 3.415 -8.964 -3.794 399 HA2 GLY 65 1HA GLY 65 1.475 -7.622 -5.357 400 HA3 GLY 65 2HA GLY 65 3.227 -7.504 -5.571 401 H ARG 66 H ARG 66 3.201 -10.553 -6.147 402 HA ARG 66 HA ARG 66 2.745 -10.524 -9.024 403 HB3 ARG 66 1HB ARG 66 3.056 -12.928 -7.174 404 HG3 ARG 66 1HG ARG 66 3.706 -12.501 -10.124 405 HD3 ARG 66 1HD ARG 66 4.158 -14.903 -8.305 406 HE ARG 66 HE ARG 66 3.547 -15.157 -10.898 407 HH11 ARG 66 1HH1 ARG 66 6.806 -15.307 -9.462 408 HH12 ARG 66 2HH1 ARG 66 7.348 -16.449 -10.649 409 HH21 ARG 66 1HH2 ARG 66 4.358 -16.603 -12.398 410 HH22 ARG 66 2HH2 ARG 66 5.996 -17.173 -12.267 411 H SER 67 H SER 67 0.915 -11.774 -6.195 412 HA SER 67 HA SER 67 -1.288 -12.786 -7.836 413 HB3 SER 67 1HB SER 67 -2.269 -13.404 -5.692 414 HG SER 67 HG SER 67 -0.566 -14.719 -4.904 415 H PHE 68 H PHE 68 -0.484 -9.699 -6.566 416 HA PHE 68 HA PHE 68 -3.227 -8.659 -7.067 417 HB3 PHE 68 1HB PHE 68 -1.866 -6.427 -6.701 418 HD1 PHE 68 HD1 PHE 68 -1.075 -8.740 -3.967 419 HD2 PHE 68 HD2 PHE 68 -3.984 -6.068 -5.637 420 HE1 PHE 68 HE1 PHE 68 -2.283 -8.754 -1.813 421 HE2 PHE 68 HE2 PHE 68 -5.187 -6.015 -3.453 422 HZ PHE 68 HZ PHE 68 -4.350 -7.341 -1.546 423 H GLN 69 H GLN 69 -0.571 -9.581 -8.936 424 HA GLN 69 HA GLN 69 0.246 -9.067 -10.987 425 HB3 GLN 69 1HB GLN 69 -1.457 -8.603 -12.710 426 HG3 GLN 69 1HG GLN 69 -1.118 -10.913 -11.779 427 HE21 GLN 69 2HE2 GLN 69 -3.964 -9.311 -10.151 428 HE22 GLN 69 1HE2 GLN 69 -4.161 -10.678 -9.056 429 H VAL 70 H VAL 70 1.102 -7.272 -9.323 430 HA VAL 70 HA VAL 70 0.423 -4.552 -9.714 431 HB VAL 70 HB VAL 70 2.864 -5.975 -8.658 432 HG11 VAL 70 1HG1 VAL 70 3.706 -3.797 -7.775 433 HG12 VAL 70 2HG1 VAL 70 3.866 -3.956 -9.530 434 HG13 VAL 70 3HG1 VAL 70 2.564 -2.960 -8.851 435 HG21 VAL 70 3HG2 VAL 70 0.843 -4.126 -7.324 436 HG22 VAL 70 1HG2 VAL 70 0.716 -5.899 -7.348 437 HG23 VAL 70 2HG2 VAL 70 2.082 -5.136 -6.527 438 H LYS 71 H LYS 71 1.107 -2.911 -10.965 439 HA LYS 71 HA LYS 71 2.036 -3.477 -13.651 440 HB3 LYS 71 1HB LYS 71 2.076 -0.790 -13.499 441 HG3 LYS 71 1HG LYS 71 0.430 -1.762 -14.904 442 HD3 LYS 71 1HD LYS 71 -1.879 -2.289 -13.745 443 HE3 LYS 71 1HE LYS 71 0.299 -4.420 -13.896 444 HZ1 LYS 71 3HZ LYS 71 -1.667 -5.320 -12.970 445 HZ2 LYS 71 1HZ LYS 71 -1.650 -5.792 -14.528 446 HZ3 LYS 71 2HZ LYS 71 -2.655 -4.589 -14.079 447 H LEU 72 H LEU 72 3.613 -1.784 -10.927 448 HA LEU 72 HA LEU 72 6.226 -1.919 -12.393 449 HB3 LEU 72 1HB LEU 72 5.283 0.233 -10.452 450 HG LEU 72 HG LEU 72 7.815 0.062 -10.787 451 HD11 LEU 72 1HD1 LEU 72 7.123 0.759 -13.676 452 HD12 LEU 72 2HD1 LEU 72 7.916 -0.737 -13.110 453 HD13 LEU 72 3HD1 LEU 72 8.747 0.810 -12.960 454 HD21 LEU 72 3HD2 LEU 72 6.497 2.538 -11.959 455 HD22 LEU 72 1HD2 LEU 72 8.116 2.447 -11.249 456 HD23 LEU 72 2HD2 LEU 72 6.706 2.196 -10.212 457 H TRP 73 H TRP 73 6.641 -0.734 -9.343 458 HA TRP 73 HA TRP 73 6.608 -3.298 -7.896 459 HB3 TRP 73 1HB TRP 73 9.151 -1.715 -8.098 460 HD1 TRP 73 HD TRP 73 8.613 -5.503 -7.822 461 HE1 TRP 73 HE1 TRP 73 9.717 -6.376 -5.676 462 HE3 TRP 73 HE3 TRP 73 9.962 -1.022 -5.749 463 HZ2 TRP 73 HZ2 TRP 73 11.272 -5.270 -3.475 464 HZ3 TRP 73 HZ3 TRP 73 11.225 -0.954 -3.624 465 HH2 TRP 73 HH TRP 73 11.944 -3.054 -2.513 466 HA PRO 74 HA PRO 74 6.654 0.298 -4.823 467 HB3 PRO 74 1HB PRO 74 8.240 1.936 -5.161 468 HG3 PRO 74 1HG PRO 74 8.796 2.649 -7.380 469 HD3 PRO 74 1HD PRO 74 9.065 0.329 -7.398 470 H THR 75 H THR 75 4.541 -0.396 -4.808 471 HA THR 75 HA THR 75 2.401 1.157 -6.109 472 HB THR 75 HB THR 75 2.951 -1.771 -6.737 473 HG1 THR 75 HG1 THR 75 3.745 0.323 -7.899 474 HG21 THR 75 3HG2 THR 75 0.492 -0.070 -7.327 475 HG22 THR 75 1HG2 THR 75 0.549 -1.609 -6.428 476 HG23 THR 75 2HG2 THR 75 0.857 -1.590 -8.167 477 H PHE 76 H PHE 76 0.612 1.088 -4.935 478 HA PHE 76 HA PHE 76 0.315 -0.937 -2.833 479 HB3 PHE 76 1HB PHE 76 1.180 0.631 -1.406 480 HD1 PHE 76 HD1 PHE 76 2.917 1.813 -2.721 481 HD2 PHE 76 HD2 PHE 76 -1.117 3.265 -2.288 482 HE1 PHE 76 HE1 PHE 76 3.648 4.044 -3.501 483 HE2 PHE 76 HE2 PHE 76 -0.384 5.484 -3.004 484 HZ PHE 76 HZ PHE 76 1.982 5.879 -3.681 485 H VAL 77 H VAL 77 -1.580 -1.699 -2.627 486 HA VAL 77 HA VAL 77 -3.779 -0.708 -4.390 487 HB VAL 77 HB VAL 77 -3.282 -3.488 -3.254 488 HG11 VAL 77 1HG1 VAL 77 -5.689 -2.999 -3.733 489 HG12 VAL 77 2HG1 VAL 77 -5.262 -2.521 -5.371 490 HG13 VAL 77 3HG1 VAL 77 -5.040 -4.187 -4.872 491 HG21 VAL 77 3HG2 VAL 77 -1.582 -2.801 -4.976 492 HG22 VAL 77 1HG2 VAL 77 -2.613 -4.138 -5.514 493 HG23 VAL 77 2HG2 VAL 77 -2.902 -2.500 -6.104 494 H PHE 78 H PHE 78 -5.572 0.045 -3.557 495 HA PHE 78 HA PHE 78 -5.931 0.066 -0.600 496 HB3 PHE 78 1HB PHE 78 -7.704 1.721 -1.083 497 HD1 PHE 78 HD2 PHE 78 -4.942 2.210 -3.574 498 HD2 PHE 78 HD1 PHE 78 -6.511 3.370 0.276 499 HE1 PHE 78 HE2 PHE 78 -3.163 3.908 -3.355 500 HE2 PHE 78 HE1 PHE 78 -4.748 5.143 0.422 501 HZ PHE 78 HZ PHE 78 -3.098 5.390 -1.428 502 H LEU 79 H LEU 79 -7.043 -1.551 0.249 503 HA LEU 79 HA LEU 79 -9.264 -2.850 -1.235 504 HB3 LEU 79 1HB LEU 79 -8.874 -4.418 0.923 505 HG LEU 79 HG LEU 79 -8.959 -5.196 -1.375 506 HD11 LEU 79 1HD1 LEU 79 -7.030 -5.345 -2.779 507 HD12 LEU 79 2HD1 LEU 79 -5.990 -4.550 -1.552 508 HD13 LEU 79 3HD1 LEU 79 -7.283 -3.656 -2.384 509 HD21 LEU 79 3HD2 LEU 79 -8.341 -6.747 0.384 510 HD22 LEU 79 1HD2 LEU 79 -6.637 -6.269 0.262 511 HD23 LEU 79 2HD2 LEU 79 -7.431 -7.125 -1.084 512 H ARG 80 H ARG 80 -11.210 -3.186 -0.152 513 HA ARG 80 HA ARG 80 -11.789 -2.369 2.542 514 HB3 ARG 80 1HB ARG 80 -13.194 -0.711 0.405 515 HG3 ARG 80 1HG ARG 80 -12.866 -0.420 3.410 516 HD3 ARG 80 1HD ARG 80 -14.266 1.466 1.460 517 HE ARG 80 HE ARG 80 -14.936 1.181 4.028 518 HH11 ARG 80 1HH1 ARG 80 -13.003 3.823 2.573 519 HH12 ARG 80 2HH1 ARG 80 -13.476 4.915 3.840 520 HH21 ARG 80 1HH2 ARG 80 -15.497 2.701 5.554 521 HH22 ARG 80 2HH2 ARG 80 -14.863 4.314 5.453 522 H ASP 81 H ASP 81 -13.678 -3.333 3.217 523 HA ASP 81 HA ASP 81 -15.252 -4.966 3.296 524 HB3 ASP 81 1HB ASP 81 -16.033 -4.229 0.457 525 H GLY 82 H GLY 82 -12.588 -5.694 2.312 526 HA2 GLY 82 1HA GLY 82 -11.517 -7.691 1.790 527 HA3 GLY 82 2HA GLY 82 -13.082 -8.411 1.363 528 H ARG 83 H ARG 83 -12.876 -5.601 -0.444 529 HA ARG 83 HA ARG 83 -11.819 -7.041 -2.824 530 HB3 ARG 83 1HB ARG 83 -14.101 -5.029 -2.591 531 HG3 ARG 83 1HG ARG 83 -13.192 -6.813 -4.879 532 HD3 ARG 83 1HD ARG 83 -15.619 -4.977 -4.661 533 HE ARG 83 HE ARG 83 -14.231 -5.819 -6.963 534 HH11 ARG 83 1HH1 ARG 83 -17.564 -5.898 -5.799 535 HH12 ARG 83 2HH1 ARG 83 -18.236 -5.885 -7.397 536 HH21 ARG 83 1HH2 ARG 83 -15.153 -5.830 -9.016 537 HH22 ARG 83 2HH2 ARG 83 -16.883 -5.851 -9.201 538 H GLU 84 H GLU 84 -10.651 -5.792 -4.312 539 HA GLU 84 HA GLU 84 -9.238 -3.429 -3.410 540 HB3 GLU 84 1HB GLU 84 -9.412 -4.795 -6.097 541 HG3 GLU 84 1HG GLU 84 -7.703 -2.406 -5.309 542 H VAL 85 H VAL 85 -9.918 -1.428 -3.359 543 HA VAL 85 HA VAL 85 -12.308 -0.567 -4.951 544 HB VAL 85 HB VAL 85 -12.254 1.459 -3.475 545 HG11 VAL 85 1HG1 VAL 85 -13.377 0.349 -1.631 546 HG12 VAL 85 2HG1 VAL 85 -13.779 -0.490 -3.140 547 HG13 VAL 85 3HG1 VAL 85 -12.595 -1.198 -2.026 548 HG21 VAL 85 3HG2 VAL 85 -10.426 -0.158 -1.637 549 HG22 VAL 85 1HG2 VAL 85 -9.853 1.193 -2.641 550 HG23 VAL 85 2HG2 VAL 85 -11.061 1.463 -1.370 551 H ALA 86 H ALA 86 -8.861 -0.141 -4.689 552 HA ALA 86 HA ALA 86 -8.598 1.266 -7.179 553 HB1 ALA 86 3HB ALA 86 -8.132 2.805 -4.577 554 HB2 ALA 86 1HB ALA 86 -7.620 3.373 -6.161 555 HB3 ALA 86 2HB ALA 86 -9.343 3.200 -5.829 556 H ARG 87 H ARG 87 -6.241 2.050 -7.374 557 HA ARG 87 HA ARG 87 -4.410 1.259 -5.308 558 HB3 ARG 87 1HB ARG 87 -4.543 -0.860 -6.483 559 HG3 ARG 87 1HG ARG 87 -3.467 0.680 -8.890 560 HD3 ARG 87 1HD ARG 87 -2.304 -1.456 -8.229 561 HE ARG 87 HE ARG 87 -4.969 -2.540 -8.313 562 HH11 ARG 87 1HH1 ARG 87 -1.736 -3.469 -9.496 563 HH12 ARG 87 2HH1 ARG 87 -2.141 -5.163 -9.425 564 HH21 ARG 87 1HH2 ARG 87 -5.322 -4.735 -8.164 565 HH22 ARG 87 2HH2 ARG 87 -4.080 -5.849 -8.704 566 H VAL 88 H VAL 88 -2.338 2.178 -5.539 567 HA VAL 88 HA VAL 88 -2.103 4.347 -7.649 568 HB VAL 88 HB VAL 88 -1.289 4.351 -4.772 569 HG11 VAL 88 1HG1 VAL 88 0.595 5.369 -6.016 570 HG12 VAL 88 2HG1 VAL 88 -0.543 6.360 -6.953 571 HG13 VAL 88 3HG1 VAL 88 -0.314 6.662 -5.217 572 HG21 VAL 88 3HG2 VAL 88 -2.631 6.289 -4.441 573 HG22 VAL 88 1HG2 VAL 88 -2.984 6.423 -6.187 574 HG23 VAL 88 2HG2 VAL 88 -3.635 5.072 -5.231 575 H VAL 89 H VAL 89 -0.462 4.098 -8.932 576 HA VAL 89 HA VAL 89 1.807 2.243 -8.277 577 HB VAL 89 HB VAL 89 0.621 3.045 -10.973 578 HG11 VAL 89 1HG1 VAL 89 2.173 1.395 -11.982 579 HG12 VAL 89 2HG1 VAL 89 3.057 2.724 -11.213 580 HG13 VAL 89 3HG1 VAL 89 2.939 1.155 -10.406 581 HG21 VAL 89 3HG2 VAL 89 0.639 0.287 -9.705 582 HG22 VAL 89 1HG2 VAL 89 -0.776 1.373 -9.759 583 HG23 VAL 89 2HG2 VAL 89 -0.080 0.752 -11.251 584 H ARG 90 H ARG 90 3.767 3.244 -8.104 585 HA ARG 90 HA ARG 90 5.405 4.792 -8.118 586 HB3 ARG 90 1HB ARG 90 4.388 5.490 -10.886 587 HG3 ARG 90 1HG ARG 90 7.213 5.243 -9.735 588 HD3 ARG 90 1HD ARG 90 6.176 6.357 -12.377 589 HE ARG 90 HE ARG 90 8.685 6.755 -11.022 590 HH11 ARG 90 1HH1 ARG 90 7.397 6.267 -14.280 591 HH12 ARG 90 2HH1 ARG 90 8.732 7.084 -15.034 592 HH21 ARG 90 1HH2 ARG 90 10.399 7.783 -12.065 593 HH22 ARG 90 2HH2 ARG 90 10.399 7.937 -13.799 594 HA PRO 91 HA PRO 91 2.503 8.306 -6.862 595 HB3 PRO 91 1HB PRO 91 2.504 7.672 -4.729 596 HG3 PRO 91 1HG PRO 91 4.324 6.453 -3.754 597 HD3 PRO 91 1HD PRO 91 3.682 5.254 -5.722 598 H GLY 92 H GLY 92 2.912 10.114 -8.057 599 HA2 GLY 92 1HA GLY 92 5.605 10.978 -8.718 600 HA3 GLY 92 2HA GLY 92 4.074 11.723 -9.245 601 H SER 93 H SER 93 3.172 12.093 -6.452 602 HA SER 93 HA SER 93 4.930 13.617 -4.847 603 HB3 SER 93 1HB SER 93 2.975 15.344 -6.405 604 HG SER 93 HG SER 93 4.229 17.014 -5.359 605 H ALA 94 H ALA 94 3.683 14.660 -3.043 606 HA ALA 94 HA ALA 94 1.740 12.927 -1.933 607 HB1 ALA 94 3HB ALA 94 2.379 15.856 -1.315 608 HB2 ALA 94 1HB ALA 94 1.533 14.721 -0.241 609 HB3 ALA 94 2HB ALA 94 3.239 14.443 -0.666 610 H SER 95 H SER 95 1.282 15.801 -3.975 611 HA SER 95 HA SER 95 -1.527 16.132 -3.622 612 HB3 SER 95 1HB SER 95 -0.201 17.781 -4.780 613 HG SER 95 HG SER 95 0.698 17.305 -6.842 614 H VAL 96 H VAL 96 0.229 13.654 -5.446 615 HA VAL 96 HA VAL 96 -2.235 12.683 -6.808 616 HB VAL 96 HB VAL 96 0.608 11.546 -6.772 617 HG11 VAL 96 1HG1 VAL 96 -0.992 9.801 -7.354 618 HG12 VAL 96 2HG1 VAL 96 -1.766 10.865 -8.549 619 HG13 VAL 96 3HG1 VAL 96 -0.097 10.288 -8.784 620 HG21 VAL 96 3HG2 VAL 96 -0.776 13.284 -8.867 621 HG22 VAL 96 1HG2 VAL 96 0.615 13.742 -7.867 622 HG23 VAL 96 2HG2 VAL 96 0.796 12.477 -9.071 623 H LEU 97 H LEU 97 -0.018 11.704 -4.147 624 HA LEU 97 HA LEU 97 -1.398 9.218 -3.668 625 HB3 LEU 97 1HB LEU 97 0.081 10.307 -1.386 626 HG LEU 97 HG LEU 97 0.690 8.035 -3.382 627 HD11 LEU 97 1HD1 LEU 97 2.121 7.119 -1.617 628 HD12 LEU 97 2HD1 LEU 97 1.867 8.577 -0.629 629 HD13 LEU 97 3HD1 LEU 97 2.698 8.667 -2.203 630 HD21 LEU 97 3HD2 LEU 97 -1.001 8.235 -0.895 631 HD22 LEU 97 1HD2 LEU 97 -0.186 6.709 -1.255 632 HD23 LEU 97 2HD2 LEU 97 -1.347 7.408 -2.394 633 H GLU 98 H GLU 98 -1.514 12.358 -1.942 634 HA GLU 98 HA GLU 98 -3.565 11.727 -0.122 635 HB3 GLU 98 1HB GLU 98 -4.037 14.194 -0.138 636 HG3 GLU 98 1HG GLU 98 -1.048 13.555 0.012 637 H GLU 99 H GLU 99 -3.864 12.896 -3.495 638 HA GLU 99 HA GLU 99 -6.659 13.289 -3.612 639 HB3 GLU 99 1HB GLU 99 -4.599 12.457 -5.679 640 HG3 GLU 99 1HG GLU 99 -7.534 13.020 -6.095 641 H ALA 100 H ALA 100 -4.779 10.291 -3.856 642 HA ALA 100 HA ALA 100 -7.165 8.681 -4.456 643 HB1 ALA 100 3HB ALA 100 -4.336 7.882 -3.669 644 HB2 ALA 100 1HB ALA 100 -5.612 6.799 -4.278 645 HB3 ALA 100 2HB ALA 100 -4.944 8.076 -5.329 646 H PHE 101 H PHE 101 -5.097 9.290 -1.540 647 HA PHE 101 HA PHE 101 -6.385 7.440 0.176 648 HB3 PHE 101 1HB PHE 101 -5.712 9.422 1.863 649 HD1 PHE 101 HD1 PHE 101 -3.240 7.744 -0.540 650 HD2 PHE 101 HD2 PHE 101 -5.009 7.826 3.407 651 HE1 PHE 101 HE1 PHE 101 -1.640 6.079 0.237 652 HE2 PHE 101 HE2 PHE 101 -3.374 6.134 4.167 653 HZ PHE 101 HZ PHE 101 -1.669 5.263 2.547 654 H GLU 102 H GLU 102 -7.180 10.925 -0.287 655 HA GLU 102 HA GLU 102 -9.423 10.996 1.435 656 HB3 GLU 102 1HB GLU 102 -8.499 13.038 0.661 657 HG3 GLU 102 1HG GLU 102 -8.370 11.989 -1.926 658 H SER 103 H SER 103 -9.175 9.863 -1.913 659 HA SER 103 HA SER 103 -12.041 9.751 -2.332 660 HB3 SER 103 1HB SER 103 -9.860 8.389 -3.954 661 HG SER 103 HG SER 103 -12.061 7.884 -4.520 662 H LEU 104 H LEU 104 -9.665 7.533 -1.004 663 HA LEU 104 HA LEU 104 -11.626 5.261 -1.143 664 HB3 LEU 104 1HB LEU 104 -9.617 3.896 -0.434 665 HG LEU 104 HG LEU 104 -8.809 3.471 -2.500 666 HD11 LEU 104 1HD1 LEU 104 -11.234 5.039 -3.426 667 HD12 LEU 104 2HD1 LEU 104 -11.365 3.511 -2.512 668 HD13 LEU 104 3HD1 LEU 104 -10.573 3.524 -4.086 669 HD21 LEU 104 3HD2 LEU 104 -7.637 5.576 -2.893 670 HD22 LEU 104 1HD2 LEU 104 -9.190 6.328 -3.397 671 HD23 LEU 104 2HD2 LEU 104 -8.486 5.054 -4.355 672 H VAL 105 H VAL 105 -10.037 7.341 1.175 673 HA VAL 105 HA VAL 105 -10.830 5.817 3.488 674 HB VAL 105 HB VAL 105 -9.030 7.698 3.282 675 HG11 VAL 105 1HG1 VAL 105 -9.668 9.922 3.864 676 HG12 VAL 105 2HG1 VAL 105 -10.619 9.441 2.451 677 HG13 VAL 105 3HG1 VAL 105 -11.361 9.464 4.069 678 HG21 VAL 105 3HG2 VAL 105 -9.677 6.457 5.340 679 HG22 VAL 105 1HG2 VAL 105 -9.092 8.102 5.623 680 HG23 VAL 105 2HG2 VAL 105 -10.838 7.742 5.717 681 H GLY 106 H GLY 106 -12.448 8.157 1.427 682 HA2 GLY 106 1HA GLY 106 -14.812 8.168 1.227 683 HA3 GLY 106 2HA GLY 106 -14.990 7.820 2.954 684 H GLU 107 H GLU 107 -12.651 10.264 2.427 685 HA GLU 107 HA GLU 107 -14.494 12.256 3.602 686 HB3 GLU 107 1HB GLU 107 -12.238 13.560 3.694 687 HG3 GLU 107 1HG GLU 107 -11.336 12.099 5.561 688 H GLY 108 H GLY 108 -12.857 11.721 0.536 689 HA2 GLY 108 1HA GLY 108 -13.670 14.442 -0.472 690 HA3 GLY 108 2HA GLY 108 -12.295 13.500 -1.023 Start of MODEL 6 1 H1 MET 1 H MET 1 14.915 4.162 8.387 2 HA MET 1 HA MET 1 12.926 6.278 8.178 3 HB3 MET 1 1HB MET 1 11.123 4.759 7.288 4 HG3 MET 1 1HG MET 1 11.902 4.722 4.902 5 HE1 MET 1 3HE MET 1 12.687 8.522 3.828 6 HE2 MET 1 1HE MET 1 13.945 7.348 4.275 7 HE3 MET 1 2HE MET 1 12.596 6.844 3.255 8 H LYS 2 H LYS 2 11.346 6.175 9.798 9 HA LYS 2 HA LYS 2 12.049 4.596 12.126 10 HB3 LYS 2 1HB LYS 2 9.679 6.437 11.563 11 HG3 LYS 2 1HG LYS 2 9.285 5.087 13.609 12 HD3 LYS 2 1HD LYS 2 11.925 6.318 14.571 13 HE3 LYS 2 1HE LYS 2 11.423 5.014 16.686 14 HZ1 LYS 2 3HZ LYS 2 11.042 7.397 16.662 15 HZ2 LYS 2 1HZ LYS 2 9.931 6.671 17.598 16 HZ3 LYS 2 2HZ LYS 2 9.503 7.205 16.114 17 H THR 3 H THR 3 9.358 4.438 9.776 18 HA THR 3 HA THR 3 8.358 1.873 10.899 19 HB THR 3 HB THR 3 6.673 2.126 9.015 20 HG1 THR 3 HG1 THR 3 6.546 4.227 8.134 21 HG21 THR 3 3HG2 THR 3 5.345 3.778 10.237 22 HG22 THR 3 1HG2 THR 3 6.798 4.390 11.053 23 HG23 THR 3 2HG2 THR 3 6.229 2.738 11.377 24 H ARG 4 H ARG 4 7.991 0.099 9.407 25 HA ARG 4 HA ARG 4 10.105 -0.291 7.364 26 HB3 ARG 4 1HB ARG 4 11.180 -0.573 9.486 27 HG3 ARG 4 1HG ARG 4 9.605 -3.110 10.013 28 HD3 ARG 4 1HD ARG 4 11.807 -2.393 11.086 29 HE ARG 4 HE ARG 4 10.266 -0.100 11.858 30 HH11 ARG 4 1HH1 ARG 4 12.563 -2.354 13.357 31 HH12 ARG 4 2HH1 ARG 4 13.124 -1.146 14.483 32 HH21 ARG 4 1HH2 ARG 4 11.102 1.410 13.286 33 HH22 ARG 4 2HH2 ARG 4 12.300 0.926 14.459 34 H TYR 5 H TYR 5 10.108 -2.463 6.466 35 HA TYR 5 HA TYR 5 7.362 -3.326 5.791 36 HB3 TYR 5 1HB TYR 5 8.805 -4.717 4.096 37 HD1 TYR 5 HD1 TYR 5 9.405 -1.001 4.506 38 HD2 TYR 5 HD2 TYR 5 7.477 -4.172 2.335 39 HE1 TYR 5 HE1 TYR 5 8.459 0.660 2.902 40 HE2 TYR 5 HE2 TYR 5 6.553 -2.509 0.707 41 HH TYR 5 HH TYR 5 6.589 -0.290 0.025 42 H SER 6 H SER 6 6.894 -5.694 5.455 43 HA SER 6 HA SER 6 8.596 -7.505 7.070 44 HB3 SER 6 1HB SER 6 5.573 -7.390 7.232 45 HG SER 6 HG SER 6 6.078 -8.859 9.051 46 H ALA 7 H ALA 7 8.885 -9.523 6.260 47 HA ALA 7 HA ALA 7 7.703 -10.235 3.668 48 HB1 ALA 7 3HB ALA 7 10.105 -10.638 4.219 49 HB2 ALA 7 1HB ALA 7 9.603 -11.768 5.503 50 HB3 ALA 7 2HB ALA 7 9.248 -12.129 3.805 51 H GLU 8 H GLU 8 6.745 -10.642 6.932 52 HA GLU 8 HA GLU 8 5.620 -13.336 6.652 53 HB3 GLU 8 1HB GLU 8 5.005 -13.066 9.012 54 HG3 GLU 8 1HG GLU 8 7.854 -12.073 8.556 55 H ALA 9 H ALA 9 4.457 -11.564 4.790 56 HA ALA 9 HA ALA 9 1.990 -10.442 5.772 57 HB1 ALA 9 3HB ALA 9 3.150 -9.504 3.815 58 HB2 ALA 9 1HB ALA 9 2.900 -11.035 2.922 59 HB3 ALA 9 2HB ALA 9 1.517 -10.035 3.368 60 HA PRO 10 HA PRO 10 -0.830 -13.911 5.348 61 HB3 PRO 10 1HB PRO 10 -2.410 -12.495 6.299 62 HG3 PRO 10 1HG PRO 10 -2.583 -10.173 5.596 63 HD3 PRO 10 1HD PRO 10 -0.424 -10.627 6.445 64 H ALA 11 H ALA 11 -2.294 -14.959 3.742 65 HA ALA 11 HA ALA 11 -1.345 -14.683 0.970 66 HB1 ALA 11 3HB ALA 11 -1.639 -16.909 2.016 67 HB2 ALA 11 1HB ALA 11 -3.373 -16.581 2.265 68 HB3 ALA 11 2HB ALA 11 -2.715 -16.720 0.620 69 H ARG 12 H ARG 12 -2.728 -14.254 -0.822 70 HA ARG 12 HA ARG 12 -4.439 -12.059 -0.549 71 HB3 ARG 12 1HB ARG 12 -4.936 -13.688 -2.980 72 HG3 ARG 12 1HG ARG 12 -4.075 -11.722 -4.157 73 HD3 ARG 12 1HD ARG 12 -5.486 -9.871 -3.361 74 HE ARG 12 HE ARG 12 -6.519 -12.169 -4.321 75 HH11 ARG 12 1HH1 ARG 12 -7.804 -9.965 -1.826 76 HH12 ARG 12 2HH1 ARG 12 -9.448 -10.432 -2.207 77 HH21 ARG 12 1HH2 ARG 12 -8.723 -12.681 -4.645 78 HH22 ARG 12 2HH2 ARG 12 -9.923 -11.881 -3.652 79 H ASP 13 H ASP 13 -5.253 -15.481 -0.572 80 HA ASP 13 HA ASP 13 -8.080 -15.346 -0.842 81 HB3 ASP 13 1HB ASP 13 -6.321 -17.282 0.717 82 H GLU 14 H GLU 14 -6.021 -15.124 2.101 83 HA GLU 14 HA GLU 14 -8.313 -14.857 3.893 84 HB3 GLU 14 1HB GLU 14 -5.435 -14.149 4.539 85 HG3 GLU 14 1HG GLU 14 -7.154 -13.683 6.291 86 H LEU 15 H LEU 15 -6.097 -12.717 2.196 87 HA LEU 15 HA LEU 15 -6.958 -10.223 3.319 88 HB3 LEU 15 1HB LEU 15 -5.995 -10.123 0.537 89 HG LEU 15 HG LEU 15 -4.919 -9.254 3.246 90 HD11 LEU 15 1HD1 LEU 15 -2.989 -10.149 1.901 91 HD12 LEU 15 2HD1 LEU 15 -2.901 -8.384 2.119 92 HD13 LEU 15 3HD1 LEU 15 -3.455 -9.066 0.579 93 HD21 LEU 15 3HD2 LEU 15 -5.481 -7.702 0.733 94 HD22 LEU 15 1HD2 LEU 15 -5.033 -7.032 2.330 95 HD23 LEU 15 2HD2 LEU 15 -6.590 -7.845 2.111 96 H ASP 16 H ASP 16 -8.628 -12.384 1.195 97 HA ASP 16 HA ASP 16 -10.296 -10.319 -0.043 98 HB3 ASP 16 1HB ASP 16 -10.937 -13.282 0.167 99 H ARG 17 H ARG 17 -10.244 -11.973 2.951 100 HA ARG 17 HA ARG 17 -13.142 -11.731 3.477 101 HB3 ARG 17 1HB ARG 17 -12.550 -13.213 5.398 102 HG3 ARG 17 1HG ARG 17 -11.424 -14.202 2.717 103 HD3 ARG 17 1HD ARG 17 -12.718 -16.261 3.515 104 HE ARG 17 HE ARG 17 -10.290 -15.899 5.205 105 HH11 ARG 17 1HH1 ARG 17 -11.579 -17.001 2.070 106 HH12 ARG 17 2HH1 ARG 17 -10.168 -17.996 1.778 107 HH21 ARG 17 1HH2 ARG 17 -8.592 -17.373 4.746 108 HH22 ARG 17 2HH2 ARG 17 -8.589 -18.161 3.162 109 H LEU 18 H LEU 18 -10.432 -9.843 4.078 110 HA LEU 18 HA LEU 18 -10.977 -8.851 6.685 111 HB3 LEU 18 1HB LEU 18 -8.892 -8.550 5.340 112 HG LEU 18 HG LEU 18 -9.641 -7.430 3.254 113 HD11 LEU 18 1HD1 LEU 18 -10.014 -4.932 3.295 114 HD12 LEU 18 2HD1 LEU 18 -10.255 -5.035 5.051 115 HD13 LEU 18 3HD1 LEU 18 -11.378 -5.820 3.924 116 HD21 LEU 18 3HD2 LEU 18 -7.838 -5.748 3.273 117 HD22 LEU 18 1HD2 LEU 18 -7.329 -7.166 4.213 118 HD23 LEU 18 2HD2 LEU 18 -7.897 -5.698 5.043 119 H ALA 19 H ALA 19 -11.546 -6.534 7.181 120 HA ALA 19 HA ALA 19 -13.503 -5.305 5.401 121 HB1 ALA 19 3HB ALA 19 -14.304 -6.157 8.205 122 HB2 ALA 19 1HB ALA 19 -15.264 -5.125 7.107 123 HB3 ALA 19 2HB ALA 19 -14.923 -6.810 6.675 124 H GLY 20 H GLY 20 -13.595 -3.184 5.587 125 HA2 GLY 20 1HA GLY 20 -13.292 -1.014 6.634 126 HA3 GLY 20 2HA GLY 20 -11.986 -1.683 7.627 127 HA PRO 21 HA PRO 21 -10.487 0.103 3.437 128 HB3 PRO 21 1HB PRO 21 -11.188 2.280 3.648 129 HG3 PRO 21 1HG PRO 21 -11.544 3.267 5.796 130 HD3 PRO 21 1HD PRO 21 -12.802 1.266 5.818 131 H THR 22 H THR 22 -8.579 -0.847 3.021 132 HA THR 22 HA THR 22 -6.303 -0.712 4.961 133 HB THR 22 HB THR 22 -7.389 -3.288 3.734 134 HG1 THR 22 HG1 THR 22 -8.590 -2.544 5.508 135 HG21 THR 22 3HG2 THR 22 -4.953 -3.413 3.941 136 HG22 THR 22 1HG2 THR 22 -5.689 -4.362 5.240 137 HG23 THR 22 2HG2 THR 22 -5.014 -2.749 5.588 138 H LEU 23 H LEU 23 -4.542 -0.118 3.931 139 HA LEU 23 HA LEU 23 -4.338 -0.435 1.002 140 HB3 LEU 23 1HB LEU 23 -2.645 1.130 3.008 141 HG LEU 23 HG LEU 23 -1.387 0.792 0.941 142 HD11 LEU 23 1HD1 LEU 23 -4.017 1.431 -0.344 143 HD12 LEU 23 2HD1 LEU 23 -2.782 0.214 -0.741 144 HD13 LEU 23 3HD1 LEU 23 -2.546 1.906 -1.182 145 HD21 LEU 23 3HD2 LEU 23 -2.630 3.548 1.025 146 HD22 LEU 23 1HD2 LEU 23 -1.078 3.110 0.270 147 HD23 LEU 23 2HD2 LEU 23 -1.273 2.972 2.032 148 H VAL 24 H VAL 24 -3.136 -2.024 0.134 149 HA VAL 24 HA VAL 24 -1.033 -3.380 1.799 150 HB VAL 24 HB VAL 24 -2.273 -4.418 -0.786 151 HG11 VAL 24 1HG1 VAL 24 -0.011 -5.319 -0.208 152 HG12 VAL 24 2HG1 VAL 24 -0.600 -5.780 1.388 153 HG13 VAL 24 3HG1 VAL 24 -1.253 -6.568 -0.049 154 HG21 VAL 24 3HG2 VAL 24 -3.509 -6.028 0.657 155 HG22 VAL 24 1HG2 VAL 24 -3.011 -5.106 2.095 156 HG23 VAL 24 2HG2 VAL 24 -4.059 -4.363 0.877 157 H GLU 25 H GLU 25 0.931 -2.786 1.456 158 HA GLU 25 HA GLU 25 1.766 -1.342 -1.007 159 HB3 GLU 25 1HB GLU 25 2.385 -1.229 1.940 160 HG3 GLU 25 1HG GLU 25 4.615 -1.104 0.801 161 H PHE 26 H PHE 26 3.268 -2.163 -2.300 162 HA PHE 26 HA PHE 26 4.779 -4.584 -1.448 163 HB3 PHE 26 1HB PHE 26 4.830 -5.108 -3.858 164 HD1 PHE 26 HD2 PHE 26 3.737 -6.901 -2.366 165 HD2 PHE 26 HD1 PHE 26 1.527 -3.605 -4.066 166 HE1 PHE 26 HE2 PHE 26 1.598 -8.064 -1.882 167 HE2 PHE 26 HE1 PHE 26 -0.599 -4.793 -3.589 168 HZ PHE 26 HZ PHE 26 -0.559 -6.977 -2.432 169 H GLY 27 H GLY 27 6.910 -4.419 -1.235 170 HA2 GLY 27 1HA GLY 27 8.751 -3.074 -2.845 171 HA3 GLY 27 2HA GLY 27 8.261 -1.916 -1.622 172 H THR 28 H THR 28 10.312 -1.895 -0.614 173 HA THR 28 HA THR 28 10.713 -3.972 1.408 174 HB THR 28 HB THR 28 13.131 -4.176 1.028 175 HG1 THR 28 HG1 THR 28 13.910 -3.456 -1.033 176 HG21 THR 28 3HG2 THR 28 13.162 -5.680 -0.861 177 HG22 THR 28 1HG2 THR 28 11.679 -4.996 -1.502 178 HG23 THR 28 2HG2 THR 28 11.637 -5.896 0.017 179 H ASP 29 H ASP 29 12.712 -3.128 2.854 180 HA ASP 29 HA ASP 29 12.023 -0.316 3.490 181 HB3 ASP 29 1HB ASP 29 13.786 -2.268 5.002 182 H TRP 30 H TRP 30 14.007 -1.581 1.276 183 HA TRP 30 HA TRP 30 16.268 0.314 1.753 184 HB3 TRP 30 1HB TRP 30 16.953 -1.735 2.670 185 HD1 TRP 30 HD TRP 30 15.605 -3.910 3.038 186 HE1 TRP 30 HE1 TRP 30 15.190 -6.037 1.674 187 HE3 TRP 30 HE3 TRP 30 17.371 -2.314 -1.501 188 HZ2 TRP 30 HZ2 TRP 30 15.471 -6.899 -1.073 189 HZ3 TRP 30 HZ3 TRP 30 17.289 -3.806 -3.464 190 HH2 TRP 30 HH TRP 30 16.343 -6.101 -3.273 191 H CYS 31 H CYS 31 14.119 -0.961 -0.740 192 HA CYS 31 HA CYS 31 15.828 -0.346 -2.971 193 HB2 CYS 31 1HB CYS 31 13.827 -1.710 -3.240 194 HB3 CYS 31 2HB CYS 31 12.796 -0.361 -2.742 195 H GLY 32 H GLY 32 16.120 1.500 -4.159 196 HA2 GLY 32 1HA GLY 32 15.865 4.081 -2.909 197 HA3 GLY 32 2HA GLY 32 16.356 3.776 -4.584 198 H HIS 33 H HIS 33 13.596 2.262 -4.900 199 HA HIS 33 HA HIS 33 11.867 4.570 -5.482 200 HB2 HIS 33 1HB HIS 33 11.223 1.604 -5.168 201 HB3 HIS 33 2HB HIS 33 10.116 2.846 -5.709 202 HD1 HIS 33 HD1 HIS 33 11.843 0.169 -7.179 203 HD2 HIS 33 HD2 HIS 33 11.306 4.236 -8.087 204 HE1 HIS 33 HE1 HIS 33 11.851 0.346 -9.735 205 H CYS 34 H CYS 34 11.928 1.998 -2.988 206 HA CYS 34 HA CYS 34 9.725 2.942 -1.458 207 HB3 CYS 34 1HB CYS 34 10.968 1.570 0.365 208 HG CYS 34 HG CYS 34 8.819 0.740 -0.872 209 H GLN 35 H GLN 35 13.200 3.805 -1.237 210 HA GLN 35 HA GLN 35 12.917 5.154 1.246 211 HB3 GLN 35 1HB GLN 35 14.976 6.432 0.599 212 HG3 GLN 35 1HG GLN 35 16.538 4.689 0.243 213 HE21 GLN 35 2HE2 GLN 35 14.273 2.242 0.948 214 HE22 GLN 35 1HE2 GLN 35 14.538 2.236 2.682 215 H ALA 36 H ALA 36 11.916 6.085 -1.921 216 HA ALA 36 HA ALA 36 11.359 8.917 -1.193 217 HB1 ALA 36 3HB ALA 36 12.391 8.364 -3.387 218 HB2 ALA 36 1HB ALA 36 10.989 7.372 -3.806 219 HB3 ALA 36 2HB ALA 36 10.797 9.124 -3.588 220 H ALA 37 H ALA 37 9.591 5.855 -1.907 221 HA ALA 37 HA ALA 37 6.995 7.172 -1.793 222 HB1 ALA 37 3HB ALA 37 7.649 4.211 -1.759 223 HB2 ALA 37 1HB ALA 37 6.069 4.973 -2.078 224 HB3 ALA 37 2HB ALA 37 7.411 5.212 -3.216 225 H GLN 38 H GLN 38 9.014 5.488 0.570 226 HA GLN 38 HA GLN 38 7.048 4.999 2.563 227 HB3 GLN 38 1HB GLN 38 9.128 5.247 4.115 228 HG3 GLN 38 1HG GLN 38 9.061 3.185 1.855 229 HE21 GLN 38 2HE2 GLN 38 9.497 2.334 5.255 230 HE22 GLN 38 1HE2 GLN 38 11.167 1.793 5.067 231 HA PRO 39 HA PRO 39 7.777 9.288 4.495 232 HB3 PRO 39 1HB PRO 39 9.919 10.096 4.201 233 HG3 PRO 39 1HG PRO 39 11.087 9.794 2.134 234 HD3 PRO 39 1HD PRO 39 10.415 7.655 2.902 235 H LEU 40 H LEU 40 7.054 8.769 1.113 236 HA LEU 40 HA LEU 40 5.291 11.051 0.709 237 HB3 LEU 40 1HB LEU 40 4.650 8.509 -0.720 238 HG LEU 40 HG LEU 40 4.743 9.645 -2.692 239 HD11 LEU 40 1HD1 LEU 40 3.278 11.413 -2.507 240 HD12 LEU 40 2HD1 LEU 40 3.956 12.003 -0.968 241 HD13 LEU 40 3HD1 LEU 40 2.973 10.541 -1.004 242 HD21 LEU 40 3HD2 LEU 40 6.388 11.878 -1.459 243 HD22 LEU 40 1HD2 LEU 40 5.810 11.769 -3.145 244 HD23 LEU 40 2HD2 LEU 40 6.976 10.576 -2.531 245 H LEU 41 H LEU 41 4.749 7.587 1.443 246 HA LEU 41 HA LEU 41 1.973 7.771 2.034 247 HB3 LEU 41 1HB LEU 41 2.607 5.700 3.556 248 HG LEU 41 HG LEU 41 2.354 4.147 1.847 249 HD11 LEU 41 1HD1 LEU 41 0.376 5.562 2.223 250 HD12 LEU 41 2HD1 LEU 41 0.444 4.838 0.598 251 HD13 LEU 41 3HD1 LEU 41 0.821 6.547 0.816 252 HD21 LEU 41 3HD2 LEU 41 4.135 4.714 0.381 253 HD22 LEU 41 1HD2 LEU 41 3.381 6.253 -0.066 254 HD23 LEU 41 2HD2 LEU 41 2.652 4.711 -0.597 255 H ALA 42 H ALA 42 4.832 7.961 4.168 256 HA ALA 42 HA ALA 42 3.478 8.335 6.604 257 HB1 ALA 42 3HB ALA 42 5.946 7.987 6.305 258 HB2 ALA 42 1HB ALA 42 6.077 9.665 5.731 259 HB3 ALA 42 2HB ALA 42 5.571 9.334 7.401 260 H GLU 43 H GLU 43 4.157 10.835 4.136 261 HA GLU 43 HA GLU 43 3.164 13.036 5.754 262 HB3 GLU 43 1HB GLU 43 3.051 14.194 3.453 263 HG3 GLU 43 1HG GLU 43 5.602 14.074 3.169 264 H VAL 44 H VAL 44 1.653 11.056 3.122 265 HA VAL 44 HA VAL 44 -0.871 12.470 3.301 266 HB VAL 44 HB VAL 44 -0.459 11.425 1.280 267 HG11 VAL 44 1HG1 VAL 44 -0.353 8.667 2.520 268 HG12 VAL 44 2HG1 VAL 44 -0.193 9.153 0.809 269 HG13 VAL 44 3HG1 VAL 44 1.028 9.632 1.935 270 HG21 VAL 44 3HG2 VAL 44 -2.552 9.678 2.617 271 HG22 VAL 44 1HG2 VAL 44 -2.837 11.329 2.055 272 HG23 VAL 44 2HG2 VAL 44 -2.422 10.056 0.895 273 H PHE 45 H PHE 45 0.188 9.361 4.710 274 HA PHE 45 HA PHE 45 -2.259 8.580 5.829 275 HB3 PHE 45 1HB PHE 45 0.042 7.686 7.421 276 HD1 PHE 45 HD1 PHE 45 -2.481 6.792 8.064 277 HD2 PHE 45 HD2 PHE 45 -0.092 5.547 4.692 278 HE1 PHE 45 HE1 PHE 45 -3.756 4.707 7.922 279 HE2 PHE 45 HE2 PHE 45 -1.378 3.439 4.556 280 HZ PHE 45 HZ PHE 45 -3.247 3.020 6.152 281 H SER 46 H SER 46 -0.019 10.944 7.075 282 HA SER 46 HA SER 46 -0.777 10.922 9.845 283 HB3 SER 46 1HB SER 46 0.029 13.295 9.805 284 HG SER 46 HG SER 46 1.806 11.551 8.405 285 H ASP 47 H ASP 47 -2.651 11.944 7.082 286 HA ASP 47 HA ASP 47 -4.609 13.351 8.849 287 HB3 ASP 47 1HB ASP 47 -4.647 13.199 5.821 288 H TYR 48 H TYR 48 -4.086 10.268 7.616 289 HA TYR 48 HA TYR 48 -6.991 9.550 7.774 290 HB3 TYR 48 1HB TYR 48 -6.796 8.088 5.900 291 HD1 TYR 48 HD1 TYR 48 -8.370 10.098 5.534 292 HD2 TYR 48 HD2 TYR 48 -4.219 10.102 4.426 293 HE1 TYR 48 HE1 TYR 48 -8.785 12.016 4.017 294 HE2 TYR 48 HE2 TYR 48 -4.591 12.120 3.018 295 HH TYR 48 HH TYR 48 -6.118 13.641 2.235 296 HA PRO 49 HA PRO 49 -3.977 6.763 10.265 297 HB3 PRO 49 1HB PRO 49 -3.569 8.230 11.986 298 HG3 PRO 49 1HG PRO 49 -5.173 9.902 12.604 299 HD3 PRO 49 1HD PRO 49 -4.700 10.146 10.304 300 H GLU 50 H GLU 50 -7.472 7.058 10.097 301 HA GLU 50 HA GLU 50 -8.050 4.547 11.438 302 HB3 GLU 50 1HB GLU 50 -9.709 6.282 11.376 303 HG3 GLU 50 1HG GLU 50 -11.087 6.215 9.155 304 H VAL 51 H VAL 51 -6.715 5.227 8.327 305 HA VAL 51 HA VAL 51 -7.773 2.807 7.031 306 HB VAL 51 HB VAL 51 -5.521 4.677 6.177 307 HG11 VAL 51 1HG1 VAL 51 -5.275 2.515 5.029 308 HG12 VAL 51 2HG1 VAL 51 -6.996 2.512 4.595 309 HG13 VAL 51 3HG1 VAL 51 -5.896 3.708 3.892 310 HG21 VAL 51 3HG2 VAL 51 -8.432 4.534 5.291 311 HG22 VAL 51 1HG2 VAL 51 -7.698 5.831 6.247 312 HG23 VAL 51 2HG2 VAL 51 -7.195 5.586 4.574 313 H GLY 52 H GLY 52 -6.655 0.819 6.773 314 HA2 GLY 52 1HA GLY 52 -4.450 0.215 8.672 315 HA3 GLY 52 2HA GLY 52 -5.328 -0.942 7.638 316 H HIS 53 H HIS 53 -2.400 -0.708 7.982 317 HA HIS 53 HA HIS 53 -1.753 -0.425 5.095 318 HB2 HIS 53 1HB HIS 53 -1.187 1.708 6.475 319 HB3 HIS 53 2HB HIS 53 0.078 0.729 7.205 320 HD1 HIS 53 HD1 HIS 53 1.892 2.419 6.062 321 HD2 HIS 53 HD2 HIS 53 -0.574 0.276 3.402 322 HE1 HIS 53 HE1 HIS 53 2.956 2.608 3.731 323 H LEU 54 H LEU 54 -1.067 -2.340 4.483 324 HA LEU 54 HA LEU 54 0.686 -3.970 6.250 325 HB3 LEU 54 1HB LEU 54 -1.132 -4.604 3.893 326 HG LEU 54 HG LEU 54 0.800 -6.093 3.636 327 HD11 LEU 54 1HD1 LEU 54 1.395 -7.749 5.367 328 HD12 LEU 54 2HD1 LEU 54 0.294 -6.956 6.511 329 HD13 LEU 54 3HD1 LEU 54 1.731 -6.101 5.927 330 HD21 LEU 54 3HD2 LEU 54 -1.559 -7.542 4.897 331 HD22 LEU 54 1HD2 LEU 54 -0.445 -8.154 3.651 332 HD23 LEU 54 2HD2 LEU 54 -1.567 -6.843 3.266 333 H LYS 55 H LYS 55 2.799 -3.631 5.889 334 HA LYS 55 HA LYS 55 3.790 -2.808 3.199 335 HB3 LYS 55 1HB LYS 55 5.944 -2.629 4.361 336 HG3 LYS 55 1HG LYS 55 4.537 -0.626 4.135 337 HD3 LYS 55 1HD LYS 55 2.720 -0.957 5.696 338 HE3 LYS 55 1HE LYS 55 4.817 -0.957 7.923 339 HZ1 LYS 55 3HZ LYS 55 2.668 0.024 8.543 340 HZ2 LYS 55 1HZ LYS 55 2.881 -1.393 9.320 341 HZ3 LYS 55 2HZ LYS 55 1.859 -1.308 8.045 342 H VAL 56 H VAL 56 3.878 -4.534 1.904 343 HA VAL 56 HA VAL 56 4.806 -7.202 2.829 344 HB VAL 56 HB VAL 56 3.863 -6.337 0.054 345 HG11 VAL 56 1HG1 VAL 56 5.116 -8.458 0.078 346 HG12 VAL 56 2HG1 VAL 56 4.039 -9.088 1.341 347 HG13 VAL 56 3HG1 VAL 56 3.404 -8.729 -0.278 348 HG21 VAL 56 3HG2 VAL 56 2.045 -5.888 1.680 349 HG22 VAL 56 1HG2 VAL 56 1.654 -7.161 0.559 350 HG23 VAL 56 2HG2 VAL 56 2.146 -7.590 2.215 351 H GLU 57 H GLU 57 6.792 -7.518 2.987 352 HA GLU 57 HA GLU 57 8.788 -6.178 1.378 353 HB3 GLU 57 1HB GLU 57 9.323 -8.632 3.058 354 HG3 GLU 57 1HG GLU 57 10.764 -5.992 2.709 355 H ASP 58 H ASP 58 8.555 -6.611 -0.773 356 HA ASP 58 HA ASP 58 7.864 -9.180 -1.860 357 HB3 ASP 58 1HB ASP 58 9.074 -6.720 -3.188 358 H GLY 59 H GLY 59 10.915 -7.497 -1.582 359 HA2 GLY 59 1HA GLY 59 13.115 -8.252 -1.446 360 HA3 GLY 59 2HA GLY 59 12.478 -9.899 -1.308 361 HA PRO 60 HA PRO 60 13.881 -9.839 -5.595 362 HB3 PRO 60 1HB PRO 60 15.367 -11.578 -4.909 363 HG3 PRO 60 1HG PRO 60 14.590 -13.329 -3.459 364 HD3 PRO 60 1HD PRO 60 14.239 -11.339 -2.271 365 H GLY 61 H GLY 61 10.882 -10.932 -4.421 366 HA2 GLY 61 1HA GLY 61 9.053 -10.625 -6.141 367 HA3 GLY 61 2HA GLY 61 9.898 -11.826 -7.123 368 H ARG 62 H ARG 62 9.134 -11.670 -3.622 369 HA ARG 62 HA ARG 62 8.339 -14.477 -3.527 370 HB3 ARG 62 1HB ARG 62 8.016 -13.965 -1.088 371 HG3 ARG 62 1HG ARG 62 10.639 -13.023 -2.315 372 HD3 ARG 62 1HD ARG 62 11.645 -13.881 -0.225 373 HE ARG 62 HE ARG 62 9.863 -11.523 -0.148 374 HH11 ARG 62 1HH1 ARG 62 12.556 -13.153 1.485 375 HH12 ARG 62 2HH1 ARG 62 12.984 -11.713 2.366 376 HH21 ARG 62 1HH2 ARG 62 10.353 -9.836 1.112 377 HH22 ARG 62 2HH2 ARG 62 11.763 -9.828 2.164 378 H ARG 63 H ARG 63 6.300 -14.642 -1.758 379 HA ARG 63 HA ARG 63 4.042 -14.660 -3.431 380 HB3 ARG 63 1HB ARG 63 4.049 -14.804 -0.381 381 HG3 ARG 63 1HG ARG 63 2.356 -16.180 -2.518 382 HD3 ARG 63 1HD ARG 63 2.200 -16.417 0.516 383 HE ARG 63 HE ARG 63 0.365 -17.192 -1.559 384 HH11 ARG 63 1HH1 ARG 63 1.702 -18.464 1.460 385 HH12 ARG 63 2HH1 ARG 63 0.365 -19.541 1.710 386 HH21 ARG 63 1HH2 ARG 63 -1.316 -18.623 -1.202 387 HH22 ARG 63 2HH2 ARG 63 -1.339 -19.608 0.223 388 H LEU 64 H LEU 64 2.123 -13.585 -3.429 389 HA LEU 64 HA LEU 64 0.401 -12.398 -2.801 390 HB3 LEU 64 1HB LEU 64 2.114 -10.493 -1.183 391 HG LEU 64 HG LEU 64 -0.207 -9.769 -1.693 392 HD11 LEU 64 1HD1 LEU 64 -2.077 -10.959 -0.469 393 HD12 LEU 64 2HD1 LEU 64 -0.973 -12.311 -0.204 394 HD13 LEU 64 3HD1 LEU 64 -1.439 -11.843 -1.854 395 HD21 LEU 64 3HD2 LEU 64 -0.736 -9.160 0.612 396 HD22 LEU 64 1HD2 LEU 64 1.020 -9.195 0.428 397 HD23 LEU 64 2HD2 LEU 64 0.197 -10.530 1.234 398 H GLY 65 H GLY 65 3.162 -10.138 -3.551 399 HA2 GLY 65 1HA GLY 65 1.514 -8.281 -4.964 400 HA3 GLY 65 2HA GLY 65 3.273 -8.453 -5.162 401 H ARG 66 H ARG 66 2.973 -11.247 -6.069 402 HA ARG 66 HA ARG 66 2.394 -10.994 -8.882 403 HB3 ARG 66 1HB ARG 66 2.695 -13.456 -7.106 404 HG3 ARG 66 1HG ARG 66 3.030 -13.100 -10.121 405 HD3 ARG 66 1HD ARG 66 3.502 -15.570 -10.067 406 HE ARG 66 HE ARG 66 5.486 -14.339 -10.336 407 HH11 ARG 66 1HH1 ARG 66 4.944 -14.918 -6.868 408 HH12 ARG 66 2HH1 ARG 66 6.574 -14.418 -6.475 409 HH21 ARG 66 1HH2 ARG 66 7.583 -13.800 -9.693 410 HH22 ARG 66 2HH2 ARG 66 7.996 -13.876 -7.992 411 H SER 67 H SER 67 0.499 -12.242 -6.096 412 HA SER 67 HA SER 67 -1.777 -13.114 -7.689 413 HB3 SER 67 1HB SER 67 -2.718 -13.740 -5.556 414 HG SER 67 HG SER 67 -0.902 -15.071 -5.913 415 H PHE 68 H PHE 68 -0.802 -10.097 -6.263 416 HA PHE 68 HA PHE 68 -3.426 -8.823 -6.768 417 HB3 PHE 68 1HB PHE 68 -1.807 -6.748 -6.360 418 HD1 PHE 68 HD1 PHE 68 -1.435 -9.161 -3.615 419 HD2 PHE 68 HD2 PHE 68 -3.889 -6.128 -5.375 420 HE1 PHE 68 HE1 PHE 68 -2.673 -8.941 -1.478 421 HE2 PHE 68 HE2 PHE 68 -5.150 -5.893 -3.233 422 HZ PHE 68 HZ PHE 68 -4.534 -7.296 -1.277 423 H GLN 69 H GLN 69 -0.760 -9.799 -8.649 424 HA GLN 69 HA GLN 69 0.077 -9.237 -10.699 425 HB3 GLN 69 1HB GLN 69 -1.564 -8.661 -12.419 426 HG3 GLN 69 1HG GLN 69 -1.302 -11.031 -11.512 427 HE21 GLN 69 2HE2 GLN 69 -4.080 -9.344 -9.920 428 HE22 GLN 69 1HE2 GLN 69 -4.415 -10.755 -8.923 429 H VAL 70 H VAL 70 0.993 -7.577 -8.972 430 HA VAL 70 HA VAL 70 0.475 -4.793 -9.192 431 HB VAL 70 HB VAL 70 2.829 -6.439 -8.261 432 HG11 VAL 70 1HG1 VAL 70 3.843 -4.324 -7.322 433 HG12 VAL 70 2HG1 VAL 70 3.991 -4.511 -9.075 434 HG13 VAL 70 3HG1 VAL 70 2.767 -3.413 -8.410 435 HG21 VAL 70 3HG2 VAL 70 0.979 -4.492 -6.812 436 HG22 VAL 70 1HG2 VAL 70 0.757 -6.252 -6.876 437 HG23 VAL 70 2HG2 VAL 70 2.186 -5.582 -6.085 438 H LYS 71 H LYS 71 1.171 -3.172 -10.490 439 HA LYS 71 HA LYS 71 1.779 -4.021 -13.190 440 HB3 LYS 71 1HB LYS 71 1.142 -1.772 -13.816 441 HG3 LYS 71 1HG LYS 71 -1.045 -1.492 -12.890 442 HD3 LYS 71 1HD LYS 71 -0.383 -4.478 -12.882 443 HE3 LYS 71 1HE LYS 71 -3.063 -3.185 -13.428 444 HZ1 LYS 71 3HZ LYS 71 -2.238 -5.902 -12.569 445 HZ2 LYS 71 1HZ LYS 71 -2.692 -5.522 -14.097 446 HZ3 LYS 71 2HZ LYS 71 -3.786 -5.442 -12.882 447 H LEU 72 H LEU 72 3.374 -1.698 -11.016 448 HA LEU 72 HA LEU 72 5.843 -1.750 -12.699 449 HB3 LEU 72 1HB LEU 72 5.035 0.180 -10.470 450 HG LEU 72 HG LEU 72 7.504 0.244 -11.033 451 HD11 LEU 72 1HD1 LEU 72 6.515 0.969 -13.824 452 HD12 LEU 72 2HD1 LEU 72 7.491 -0.461 -13.377 453 HD13 LEU 72 3HD1 LEU 72 8.184 1.156 -13.241 454 HD21 LEU 72 3HD2 LEU 72 7.581 2.662 -11.371 455 HD22 LEU 72 1HD2 LEU 72 6.231 2.266 -10.300 456 HD23 LEU 72 2HD2 LEU 72 5.924 2.651 -12.016 457 H TRP 73 H TRP 73 6.685 -0.820 -9.682 458 HA TRP 73 HA TRP 73 6.531 -3.445 -8.338 459 HB3 TRP 73 1HB TRP 73 9.097 -1.899 -8.481 460 HD1 TRP 73 HD TRP 73 8.529 -5.677 -8.174 461 HE1 TRP 73 HE1 TRP 73 9.603 -6.518 -6.001 462 HE3 TRP 73 HE3 TRP 73 9.841 -1.176 -6.150 463 HZ2 TRP 73 HZ2 TRP 73 11.143 -5.374 -3.810 464 HZ3 TRP 73 HZ3 TRP 73 11.078 -1.070 -4.010 465 HH2 TRP 73 HH TRP 73 11.781 -3.145 -2.865 466 HA PRO 74 HA PRO 74 6.636 -0.035 -5.091 467 HB3 PRO 74 1HB PRO 74 8.269 1.569 -5.383 468 HG3 PRO 74 1HG PRO 74 8.745 2.449 -7.587 469 HD3 PRO 74 1HD PRO 74 8.993 0.126 -7.738 470 H THR 75 H THR 75 4.528 -0.588 -4.944 471 HA THR 75 HA THR 75 2.370 1.009 -6.198 472 HB THR 75 HB THR 75 2.931 -1.938 -6.739 473 HG1 THR 75 HG1 THR 75 3.622 0.135 -8.024 474 HG21 THR 75 3HG2 THR 75 0.550 -1.857 -6.378 475 HG22 THR 75 1HG2 THR 75 0.801 -1.870 -8.127 476 HG23 THR 75 2HG2 THR 75 0.382 -0.354 -7.298 477 H PHE 76 H PHE 76 0.576 0.994 -5.015 478 HA PHE 76 HA PHE 76 0.288 -1.008 -2.876 479 HB3 PHE 76 1HB PHE 76 1.154 0.579 -1.454 480 HD1 PHE 76 HD2 PHE 76 2.860 1.738 -2.820 481 HD2 PHE 76 HD1 PHE 76 -1.149 3.211 -2.276 482 HE1 PHE 76 HE2 PHE 76 3.581 3.969 -3.626 483 HE2 PHE 76 HE1 PHE 76 -0.416 5.444 -2.975 484 HZ PHE 76 HZ PHE 76 1.932 5.809 -3.756 485 H VAL 77 H VAL 77 -1.626 -1.720 -2.574 486 HA VAL 77 HA VAL 77 -3.810 -0.800 -4.384 487 HB VAL 77 HB VAL 77 -3.327 -3.552 -3.186 488 HG11 VAL 77 1HG1 VAL 77 -5.711 -3.148 -3.684 489 HG12 VAL 77 2HG1 VAL 77 -5.315 -2.596 -5.304 490 HG13 VAL 77 3HG1 VAL 77 -5.042 -4.269 -4.868 491 HG21 VAL 77 3HG2 VAL 77 -2.767 -2.529 -6.000 492 HG22 VAL 77 1HG2 VAL 77 -1.553 -3.016 -4.814 493 HG23 VAL 77 2HG2 VAL 77 -2.643 -4.221 -5.479 494 H PHE 78 H PHE 78 -5.619 -0.003 -3.574 495 HA PHE 78 HA PHE 78 -6.017 0.020 -0.632 496 HB3 PHE 78 1HB PHE 78 -7.764 1.706 -1.150 497 HD1 PHE 78 HD2 PHE 78 -4.987 2.143 -3.614 498 HD2 PHE 78 HD1 PHE 78 -6.569 3.324 0.231 499 HE1 PHE 78 HE2 PHE 78 -3.182 3.825 -3.369 500 HE2 PHE 78 HE1 PHE 78 -4.812 5.095 0.377 501 HZ PHE 78 HZ PHE 78 -3.138 5.326 -1.449 502 H LEU 79 H LEU 79 -7.196 -1.520 0.212 503 HA LEU 79 HA LEU 79 -9.415 -2.804 -1.280 504 HB3 LEU 79 1HB LEU 79 -9.180 -4.292 0.944 505 HG LEU 79 HG LEU 79 -9.131 -5.183 -1.305 506 HD11 LEU 79 1HD1 LEU 79 -7.117 -5.441 -2.575 507 HD12 LEU 79 2HD1 LEU 79 -6.162 -4.505 -1.381 508 HD13 LEU 79 3HD1 LEU 79 -7.434 -3.725 -2.352 509 HD21 LEU 79 3HD2 LEU 79 -8.596 -6.586 0.615 510 HD22 LEU 79 1HD2 LEU 79 -6.904 -6.068 0.512 511 HD23 LEU 79 2HD2 LEU 79 -7.611 -7.086 -0.773 512 H ARG 80 H ARG 80 -11.409 -3.052 -0.169 513 HA ARG 80 HA ARG 80 -11.917 -2.089 2.507 514 HB3 ARG 80 1HB ARG 80 -13.148 -0.584 0.180 515 HG3 ARG 80 1HG ARG 80 -13.512 -0.223 3.182 516 HD3 ARG 80 1HD ARG 80 -14.083 1.583 0.796 517 HE ARG 80 HE ARG 80 -15.934 1.171 2.875 518 HH11 ARG 80 1HH1 ARG 80 -14.267 4.008 1.482 519 HH12 ARG 80 2HH1 ARG 80 -15.739 4.948 1.556 520 HH21 ARG 80 1HH2 ARG 80 -17.717 2.546 2.978 521 HH22 ARG 80 2HH2 ARG 80 -17.560 4.202 2.426 522 H ASP 81 H ASP 81 -13.500 -3.283 3.318 523 HA ASP 81 HA ASP 81 -14.930 -5.034 3.573 524 HB3 ASP 81 1HB ASP 81 -16.156 -4.280 0.906 525 H GLY 82 H GLY 82 -12.407 -5.536 2.366 526 HA2 GLY 82 1HA GLY 82 -11.206 -7.392 1.647 527 HA3 GLY 82 2HA GLY 82 -12.750 -8.224 1.334 528 H ARG 83 H ARG 83 -13.206 -5.557 -0.424 529 HA ARG 83 HA ARG 83 -12.240 -6.797 -2.922 530 HB3 ARG 83 1HB ARG 83 -14.295 -4.590 -2.445 531 HG3 ARG 83 1HG ARG 83 -13.785 -6.419 -4.830 532 HD3 ARG 83 1HD ARG 83 -15.831 -4.199 -4.366 533 HE ARG 83 HE ARG 83 -15.548 -4.081 -6.657 534 HH11 ARG 83 1HH2 ARG 83 -15.905 -7.502 -5.817 535 HH12 ARG 83 2HH2 ARG 83 -16.102 -7.979 -7.480 536 HH21 ARG 83 1HH1 ARG 83 -15.814 -4.772 -8.782 537 HH22 ARG 83 2HH1 ARG 83 -16.059 -6.454 -9.123 538 H GLU 84 H GLU 84 -10.868 -5.736 -4.264 539 HA GLU 84 HA GLU 84 -9.369 -3.391 -3.419 540 HB3 GLU 84 1HB GLU 84 -9.490 -4.869 -6.051 541 HG3 GLU 84 1HG GLU 84 -7.768 -2.476 -5.302 542 H VAL 85 H VAL 85 -10.030 -1.396 -3.412 543 HA VAL 85 HA VAL 85 -12.368 -0.518 -5.070 544 HB VAL 85 HB VAL 85 -12.296 1.526 -3.604 545 HG11 VAL 85 1HG1 VAL 85 -13.460 0.457 -1.784 546 HG12 VAL 85 2HG1 VAL 85 -13.877 -0.346 -3.307 547 HG13 VAL 85 3HG1 VAL 85 -12.730 -1.125 -2.185 548 HG21 VAL 85 3HG2 VAL 85 -11.118 1.504 -1.492 549 HG22 VAL 85 1HG2 VAL 85 -10.527 -0.140 -1.752 550 HG23 VAL 85 2HG2 VAL 85 -9.897 1.200 -2.736 551 H ALA 86 H ALA 86 -8.927 -0.166 -4.780 552 HA ALA 86 HA ALA 86 -8.576 1.291 -7.225 553 HB1 ALA 86 3HB ALA 86 -7.599 3.361 -6.146 554 HB2 ALA 86 1HB ALA 86 -9.333 3.225 -5.861 555 HB3 ALA 86 2HB ALA 86 -8.184 2.777 -4.582 556 H ARG 87 H ARG 87 -6.231 1.990 -7.394 557 HA ARG 87 HA ARG 87 -4.425 1.190 -5.328 558 HB3 ARG 87 1HB ARG 87 -4.590 -0.962 -6.442 559 HG3 ARG 87 1HG ARG 87 -3.514 0.520 -8.877 560 HD3 ARG 87 1HD ARG 87 -2.320 -1.570 -8.200 561 HE ARG 87 HE ARG 87 -4.978 -2.694 -8.230 562 HH11 ARG 87 1HH1 ARG 87 -1.700 -3.657 -9.259 563 HH12 ARG 87 2HH1 ARG 87 -2.118 -5.348 -9.169 564 HH21 ARG 87 1HH2 ARG 87 -5.323 -4.868 -7.972 565 HH22 ARG 87 2HH2 ARG 87 -4.054 -6.006 -8.430 566 H VAL 88 H VAL 88 -2.362 2.118 -5.562 567 HA VAL 88 HA VAL 88 -2.175 4.287 -7.664 568 HB VAL 88 HB VAL 88 -1.315 4.285 -4.783 569 HG11 VAL 88 1HG1 VAL 88 -0.661 6.359 -6.944 570 HG12 VAL 88 2HG1 VAL 88 -0.395 6.612 -5.212 571 HG13 VAL 88 3HG1 VAL 88 0.518 5.365 -6.059 572 HG21 VAL 88 3HG2 VAL 88 -2.714 6.182 -4.413 573 HG22 VAL 88 1HG2 VAL 88 -3.053 6.359 -6.158 574 HG23 VAL 88 2HG2 VAL 88 -3.697 4.970 -5.267 575 H VAL 89 H VAL 89 -0.499 4.197 -8.920 576 HA VAL 89 HA VAL 89 1.861 2.437 -8.294 577 HB VAL 89 HB VAL 89 0.589 3.045 -11.008 578 HG11 VAL 89 1HG1 VAL 89 3.016 2.814 -11.260 579 HG12 VAL 89 2HG1 VAL 89 2.996 1.316 -10.308 580 HG13 VAL 89 3HG1 VAL 89 2.218 1.375 -11.899 581 HG21 VAL 89 3HG2 VAL 89 -0.764 1.401 -9.734 582 HG22 VAL 89 1HG2 VAL 89 0.024 0.665 -11.135 583 HG23 VAL 89 2HG2 VAL 89 0.687 0.393 -9.515 584 H ARG 90 H ARG 90 3.751 3.541 -8.236 585 HA ARG 90 HA ARG 90 5.318 5.137 -8.401 586 HB3 ARG 90 1HB ARG 90 4.042 5.876 -11.052 587 HG3 ARG 90 1HG ARG 90 6.954 5.728 -10.119 588 HD3 ARG 90 1HD ARG 90 5.683 6.714 -12.701 589 HE ARG 90 HE ARG 90 8.282 7.239 -11.555 590 HH11 ARG 90 1HH1 ARG 90 6.676 6.774 -14.676 591 HH12 ARG 90 2HH1 ARG 90 7.911 7.648 -15.535 592 HH21 ARG 90 1HH2 ARG 90 9.815 8.376 -12.730 593 HH22 ARG 90 2HH2 ARG 90 9.650 8.545 -14.454 594 HA PRO 91 HA PRO 91 2.223 8.314 -6.775 595 HB3 PRO 91 1HB PRO 91 2.460 7.730 -4.660 596 HG3 PRO 91 1HG PRO 91 4.391 6.558 -3.904 597 HD3 PRO 91 1HD PRO 91 3.724 5.427 -5.875 598 H GLY 92 H GLY 92 5.763 9.032 -6.462 599 HA2 GLY 92 1HA GLY 92 7.032 10.727 -7.389 600 HA3 GLY 92 2HA GLY 92 5.610 11.288 -8.298 601 H SER 93 H SER 93 3.813 12.002 -6.426 602 HA SER 93 HA SER 93 5.064 13.968 -4.571 603 HB3 SER 93 1HB SER 93 3.672 15.782 -5.547 604 HG SER 93 HG SER 93 5.804 15.567 -6.407 605 H ALA 94 H ALA 94 3.748 14.545 -2.829 606 HA ALA 94 HA ALA 94 1.710 12.825 -1.948 607 HB1 ALA 94 3HB ALA 94 3.109 14.303 -0.523 608 HB2 ALA 94 1HB ALA 94 2.247 15.719 -1.168 609 HB3 ALA 94 2HB ALA 94 1.387 14.506 -0.201 610 H SER 95 H SER 95 1.348 15.669 -4.016 611 HA SER 95 HA SER 95 -1.462 16.000 -3.825 612 HB3 SER 95 1HB SER 95 -0.068 17.609 -4.975 613 HG SER 95 HG SER 95 0.964 17.006 -6.977 614 H VAL 96 H VAL 96 0.365 13.455 -5.515 615 HA VAL 96 HA VAL 96 -2.069 12.449 -6.903 616 HB VAL 96 HB VAL 96 0.729 11.258 -6.622 617 HG11 VAL 96 1HG1 VAL 96 -1.553 10.495 -8.485 618 HG12 VAL 96 2HG1 VAL 96 0.098 9.849 -8.577 619 HG13 VAL 96 3HG1 VAL 96 -0.898 9.510 -7.158 620 HG21 VAL 96 3HG2 VAL 96 0.833 13.383 -7.883 621 HG22 VAL 96 1HG2 VAL 96 1.080 12.019 -8.965 622 HG23 VAL 96 2HG2 VAL 96 -0.494 12.829 -8.931 623 H LEU 97 H LEU 97 -0.005 11.586 -4.105 624 HA LEU 97 HA LEU 97 -1.429 9.121 -3.603 625 HB3 LEU 97 1HB LEU 97 0.044 10.226 -1.319 626 HG LEU 97 HG LEU 97 0.615 7.945 -3.293 627 HD11 LEU 97 1HD1 LEU 97 2.067 7.020 -1.577 628 HD12 LEU 97 2HD1 LEU 97 1.825 8.449 -0.543 629 HD13 LEU 97 3HD1 LEU 97 2.656 8.566 -2.132 630 HD21 LEU 97 3HD2 LEU 97 -1.411 7.353 -2.274 631 HD22 LEU 97 1HD2 LEU 97 -1.006 8.133 -0.757 632 HD23 LEU 97 2HD2 LEU 97 -0.215 6.613 -1.184 633 H GLU 98 H GLU 98 -1.520 12.292 -1.932 634 HA GLU 98 HA GLU 98 -3.589 11.696 -0.091 635 HB3 GLU 98 1HB GLU 98 -4.024 14.170 -0.149 636 HG3 GLU 98 1HG GLU 98 -1.050 13.512 0.004 637 H GLU 99 H GLU 99 -3.842 12.858 -3.487 638 HA GLU 99 HA GLU 99 -6.627 13.259 -3.616 639 HB3 GLU 99 1HB GLU 99 -4.586 12.397 -5.689 640 HG3 GLU 99 1HG GLU 99 -7.519 12.993 -6.064 641 H ALA 100 H ALA 100 -4.772 10.234 -3.938 642 HA ALA 100 HA ALA 100 -7.167 8.647 -4.512 643 HB1 ALA 100 3HB ALA 100 -5.633 6.750 -4.285 644 HB2 ALA 100 1HB ALA 100 -4.976 8.003 -5.355 645 HB3 ALA 100 2HB ALA 100 -4.348 7.827 -3.696 646 H PHE 101 H PHE 101 -5.145 9.265 -1.565 647 HA PHE 101 HA PHE 101 -6.429 7.389 0.107 648 HB3 PHE 101 1HB PHE 101 -5.820 9.350 1.845 649 HD1 PHE 101 HD2 PHE 101 -3.309 7.659 -0.531 650 HD2 PHE 101 HD1 PHE 101 -5.109 7.796 3.404 651 HE1 PHE 101 HE2 PHE 101 -1.725 5.987 0.277 652 HE2 PHE 101 HE1 PHE 101 -3.502 6.100 4.189 653 HZ PHE 101 HZ PHE 101 -1.783 5.190 2.581 654 H GLU 102 H GLU 102 -7.218 10.882 -0.306 655 HA GLU 102 HA GLU 102 -9.510 10.886 1.376 656 HB3 GLU 102 1HB GLU 102 -8.531 12.954 0.755 657 HG3 GLU 102 1HG GLU 102 -8.379 12.057 -1.909 658 H SER 103 H SER 103 -9.200 9.968 -2.042 659 HA SER 103 HA SER 103 -12.008 9.895 -2.584 660 HB3 SER 103 1HB SER 103 -9.758 8.349 -3.921 661 HG SER 103 HG SER 103 -11.193 8.460 -5.723 662 H LEU 104 H LEU 104 -9.764 7.515 -1.181 663 HA LEU 104 HA LEU 104 -11.822 5.368 -1.358 664 HB3 LEU 104 1HB LEU 104 -9.945 3.954 -0.380 665 HG LEU 104 HG LEU 104 -8.932 3.437 -2.339 666 HD11 LEU 104 1HD1 LEU 104 -11.501 3.530 -2.587 667 HD12 LEU 104 2HD1 LEU 104 -10.573 3.456 -4.079 668 HD13 LEU 104 3HD1 LEU 104 -11.247 5.009 -3.533 669 HD21 LEU 104 3HD2 LEU 104 -7.708 5.529 -2.697 670 HD22 LEU 104 1HD2 LEU 104 -9.195 6.266 -3.387 671 HD23 LEU 104 2HD2 LEU 104 -8.392 4.944 -4.206 672 H VAL 105 H VAL 105 -10.213 7.324 1.073 673 HA VAL 105 HA VAL 105 -11.320 5.952 3.343 674 HB VAL 105 HB VAL 105 -9.379 7.763 3.137 675 HG11 VAL 105 1HG1 VAL 105 -11.646 9.557 4.065 676 HG12 VAL 105 2HG1 VAL 105 -9.943 9.963 3.853 677 HG13 VAL 105 3HG1 VAL 105 -10.942 9.608 2.439 678 HG21 VAL 105 3HG2 VAL 105 -11.120 7.697 5.594 679 HG22 VAL 105 1HG2 VAL 105 -9.969 6.428 5.108 680 HG23 VAL 105 2HG2 VAL 105 -9.373 8.056 5.466 681 H GLY 106 H GLY 106 -12.628 8.233 1.084 682 HA2 GLY 106 1HA GLY 106 -14.875 8.467 0.666 683 HA3 GLY 106 2HA GLY 106 -15.303 8.180 2.375 684 H GLU 107 H GLU 107 -12.795 10.335 2.412 685 HA GLU 107 HA GLU 107 -14.453 12.603 3.118 686 HB3 GLU 107 1HB GLU 107 -12.084 13.726 3.133 687 HG3 GLU 107 1HG GLU 107 -11.413 12.532 5.223 688 H GLY 108 H GLY 108 -12.975 11.560 0.135 689 HA2 GLY 108 1HA GLY 108 -13.242 14.047 -1.343 690 HA3 GLY 108 2HA GLY 108 -13.017 12.423 -2.016 Start of MODEL 7 1 H1 MET 1 H MET 1 10.041 6.372 10.559 2 HA MET 1 HA MET 1 11.105 4.347 10.940 3 HB3 MET 1 1HB MET 1 10.981 3.416 13.228 4 HG3 MET 1 1HG MET 1 11.035 6.464 13.222 5 HE1 MET 1 3HE MET 1 12.362 7.815 14.991 6 HE2 MET 1 1HE MET 1 13.302 7.076 16.305 7 HE3 MET 1 2HE MET 1 13.790 6.820 14.614 8 H LYS 2 H LYS 2 7.643 4.359 11.562 9 HA LYS 2 HA LYS 2 7.192 1.509 11.319 10 HB3 LYS 2 1HB LYS 2 4.810 2.153 11.312 11 HG3 LYS 2 1HG LYS 2 4.599 3.495 13.329 12 HD3 LYS 2 1HD LYS 2 7.019 1.668 13.595 13 HE3 LYS 2 1HE LYS 2 6.611 3.141 15.560 14 HZ1 LYS 2 3HZ LYS 2 4.058 1.639 15.763 15 HZ2 LYS 2 1HZ LYS 2 4.184 3.256 15.515 16 HZ3 LYS 2 2HZ LYS 2 4.677 2.607 16.922 17 H THR 3 H THR 3 8.213 3.521 8.961 18 HA THR 3 HA THR 3 6.745 2.635 6.611 19 HB THR 3 HB THR 3 8.746 3.650 5.456 20 HG1 THR 3 HG1 THR 3 9.952 4.944 7.228 21 HG21 THR 3 3HG2 THR 3 6.778 5.040 6.066 22 HG22 THR 3 1HG2 THR 3 8.296 5.960 6.105 23 HG23 THR 3 2HG2 THR 3 7.544 5.428 7.623 24 H ARG 4 H ARG 4 9.206 1.142 8.572 25 HA ARG 4 HA ARG 4 10.572 -0.416 6.658 26 HB3 ARG 4 1HB ARG 4 10.480 -2.009 8.903 27 HG3 ARG 4 1HG ARG 4 12.533 -0.948 7.764 28 HD3 ARG 4 1HD ARG 4 13.580 0.858 9.155 29 HE ARG 4 HE ARG 4 11.214 2.230 8.119 30 HH11 ARG 4 1HH1 ARG 4 14.282 0.764 7.103 31 HH12 ARG 4 2HH1 ARG 4 14.378 1.762 5.682 32 HH21 ARG 4 1HH2 ARG 4 11.418 3.478 6.312 33 HH22 ARG 4 2HH2 ARG 4 12.807 3.316 5.260 34 H TYR 5 H TYR 5 10.392 -2.523 5.977 35 HA TYR 5 HA TYR 5 7.607 -3.264 5.364 36 HB3 TYR 5 1HB TYR 5 9.028 -4.814 3.725 37 HD1 TYR 5 HD2 TYR 5 9.525 -1.078 3.980 38 HD2 TYR 5 HD1 TYR 5 7.586 -4.365 2.017 39 HE1 TYR 5 HE2 TYR 5 8.547 0.508 2.319 40 HE2 TYR 5 HE1 TYR 5 6.605 -2.776 0.320 41 HH TYR 5 HH TYR 5 6.692 -0.586 -0.510 42 H SER 6 H SER 6 6.983 -5.537 5.019 43 HA SER 6 HA SER 6 8.134 -7.381 7.056 44 HB3 SER 6 1HB SER 6 5.829 -8.186 7.417 45 HG SER 6 HG SER 6 5.047 -6.349 8.522 46 H ALA 7 H ALA 7 8.789 -9.273 6.332 47 HA ALA 7 HA ALA 7 8.073 -10.355 3.647 48 HB1 ALA 7 3HB ALA 7 9.892 -11.347 5.892 49 HB2 ALA 7 1HB ALA 7 9.690 -12.117 4.307 50 HB3 ALA 7 2HB ALA 7 10.409 -10.496 4.418 51 H GLU 8 H GLU 8 7.280 -10.719 7.026 52 HA GLU 8 HA GLU 8 5.776 -13.187 6.805 53 HB3 GLU 8 1HB GLU 8 6.902 -12.712 8.852 54 HG3 GLU 8 1HG GLU 8 5.698 -10.902 10.374 55 H ALA 9 H ALA 9 4.888 -11.379 4.859 56 HA ALA 9 HA ALA 9 2.384 -10.128 5.582 57 HB1 ALA 9 3HB ALA 9 3.633 -9.384 3.625 58 HB2 ALA 9 1HB ALA 9 3.542 -11.013 2.899 59 HB3 ALA 9 2HB ALA 9 2.074 -10.042 3.092 60 HA PRO 10 HA PRO 10 -0.369 -13.592 5.576 61 HB3 PRO 10 1HB PRO 10 -2.038 -12.070 6.081 62 HG3 PRO 10 1HG PRO 10 -2.203 -9.958 4.885 63 HD3 PRO 10 1HD PRO 10 -0.109 -10.183 6.004 64 H ALA 11 H ALA 11 -1.538 -15.096 4.265 65 HA ALA 11 HA ALA 11 -0.712 -15.375 1.458 66 HB1 ALA 11 3HB ALA 11 -1.045 -17.361 2.984 67 HB2 ALA 11 1HB ALA 11 -2.779 -16.940 3.088 68 HB3 ALA 11 2HB ALA 11 -2.067 -17.416 1.534 69 H ARG 12 H ARG 12 -2.339 -15.472 -0.322 70 HA ARG 12 HA ARG 12 -4.016 -13.190 -0.332 71 HB3 ARG 12 1HB ARG 12 -4.959 -15.164 -2.281 72 HG3 ARG 12 1HG ARG 12 -3.958 -13.547 -3.882 73 HD3 ARG 12 1HD ARG 12 -5.560 -12.238 -1.637 74 HE ARG 12 HE ARG 12 -5.014 -10.317 -2.739 75 HH11 ARG 12 1HH1 ARG 12 -5.642 -12.733 -5.259 76 HH12 ARG 12 2HH1 ARG 12 -5.254 -11.604 -6.534 77 HH21 ARG 12 1HH2 ARG 12 -4.659 -8.915 -4.459 78 HH22 ARG 12 2HH2 ARG 12 -4.820 -9.509 -6.090 79 H ASP 13 H ASP 13 -4.839 -16.563 0.405 80 HA ASP 13 HA ASP 13 -7.667 -16.191 0.754 81 HB3 ASP 13 1HB ASP 13 -6.786 -18.386 0.431 82 H GLU 14 H GLU 14 -5.010 -15.344 2.827 83 HA GLU 14 HA GLU 14 -6.738 -15.151 5.210 84 HB3 GLU 14 1HB GLU 14 -3.749 -14.687 4.797 85 HG3 GLU 14 1HG GLU 14 -5.435 -14.799 7.324 86 H LEU 15 H LEU 15 -5.141 -13.145 2.780 87 HA LEU 15 HA LEU 15 -5.834 -10.554 3.932 88 HB3 LEU 15 1HB LEU 15 -4.796 -11.503 1.216 89 HG LEU 15 HG LEU 15 -5.381 -8.767 2.256 90 HD11 LEU 15 1HD1 LEU 15 -2.749 -9.417 0.891 91 HD12 LEU 15 2HD1 LEU 15 -2.959 -8.781 2.519 92 HD13 LEU 15 3HD1 LEU 15 -3.404 -7.780 1.131 93 HD21 LEU 15 3HD2 LEU 15 -4.838 -9.879 -0.537 94 HD22 LEU 15 1HD2 LEU 15 -5.436 -8.252 -0.165 95 HD23 LEU 15 2HD2 LEU 15 -6.446 -9.659 0.185 96 H ASP 16 H ASP 16 -7.422 -12.816 1.679 97 HA ASP 16 HA ASP 16 -9.493 -11.136 0.713 98 HB3 ASP 16 1HB ASP 16 -9.480 -14.106 1.386 99 H ARG 17 H ARG 17 -8.934 -12.328 3.905 100 HA ARG 17 HA ARG 17 -11.646 -12.165 4.940 101 HB3 ARG 17 1HB ARG 17 -10.609 -12.536 7.089 102 HG3 ARG 17 1HG ARG 17 -9.234 -14.560 6.735 103 HD3 ARG 17 1HD ARG 17 -11.560 -14.328 4.782 104 HE ARG 17 HE ARG 17 -9.606 -16.095 4.339 105 HH11 ARG 17 1HH1 ARG 17 -12.899 -16.643 5.562 106 HH12 ARG 17 2HH1 ARG 17 -12.964 -18.232 4.869 107 HH21 ARG 17 1HH2 ARG 17 -9.762 -18.120 3.529 108 HH22 ARG 17 2HH2 ARG 17 -11.211 -19.062 3.726 109 H LEU 18 H LEU 18 -9.372 -9.794 4.108 110 HA LEU 18 HA LEU 18 -9.681 -7.854 6.144 111 HB3 LEU 18 1HB LEU 18 -9.397 -6.208 4.031 112 HG LEU 18 HG LEU 18 -7.208 -8.214 4.721 113 HD11 LEU 18 1HD1 LEU 18 -7.103 -5.485 3.327 114 HD12 LEU 18 2HD1 LEU 18 -6.903 -7.050 2.532 115 HD13 LEU 18 3HD1 LEU 18 -5.708 -6.517 3.723 116 HD21 LEU 18 3HD2 LEU 18 -7.891 -5.442 5.795 117 HD22 LEU 18 1HD2 LEU 18 -6.332 -6.248 6.083 118 HD23 LEU 18 2HD2 LEU 18 -7.830 -6.951 6.724 119 H ALA 19 H ALA 19 -10.818 -5.807 6.136 120 HA ALA 19 HA ALA 19 -13.516 -5.763 4.911 121 HB1 ALA 19 3HB ALA 19 -14.620 -5.607 7.114 122 HB2 ALA 19 1HB ALA 19 -13.789 -7.158 6.898 123 HB3 ALA 19 2HB ALA 19 -13.065 -5.901 7.924 124 H GLY 20 H GLY 20 -11.380 -4.065 7.275 125 HA2 GLY 20 1HA GLY 20 -12.660 -1.499 6.737 126 HA3 GLY 20 2HA GLY 20 -11.211 -1.784 7.725 127 HA PRO 21 HA PRO 21 -10.143 0.104 3.480 128 HB3 PRO 21 1HB PRO 21 -10.992 2.208 3.791 129 HG3 PRO 21 1HG PRO 21 -11.413 3.056 5.979 130 HD3 PRO 21 1HD PRO 21 -12.453 0.931 6.001 131 H THR 22 H THR 22 -8.326 -0.961 3.087 132 HA THR 22 HA THR 22 -5.922 -0.588 4.852 133 HB THR 22 HB THR 22 -6.895 -3.191 3.650 134 HG1 THR 22 HG1 THR 22 -8.108 -2.547 5.406 135 HG21 THR 22 3HG2 THR 22 -5.102 -4.178 5.102 136 HG22 THR 22 1HG2 THR 22 -4.515 -2.555 5.473 137 HG23 THR 22 2HG2 THR 22 -4.450 -3.176 3.802 138 H LEU 23 H LEU 23 -4.228 0.096 3.737 139 HA LEU 23 HA LEU 23 -4.164 -0.187 0.798 140 HB3 LEU 23 1HB LEU 23 -2.375 1.336 2.747 141 HG LEU 23 HG LEU 23 -1.191 1.051 0.644 142 HD11 LEU 23 1HD1 LEU 23 -2.668 0.451 -0.980 143 HD12 LEU 23 2HD1 LEU 23 -2.445 2.152 -1.426 144 HD13 LEU 23 3HD1 LEU 23 -3.874 1.660 -0.517 145 HD21 LEU 23 3HD2 LEU 23 -0.974 3.371 -0.059 146 HD22 LEU 23 1HD2 LEU 23 -1.045 3.206 1.703 147 HD23 LEU 23 2HD2 LEU 23 -2.470 3.791 0.798 148 H VAL 24 H VAL 24 -2.978 -1.741 -0.158 149 HA VAL 24 HA VAL 24 -0.890 -3.187 1.427 150 HB VAL 24 HB VAL 24 -2.270 -4.126 -1.125 151 HG11 VAL 24 1HG1 VAL 24 -0.063 -5.163 -0.694 152 HG12 VAL 24 2HG1 VAL 24 -0.560 -5.586 0.949 153 HG13 VAL 24 3HG1 VAL 24 -1.357 -6.353 -0.447 154 HG21 VAL 24 3HG2 VAL 24 -3.588 -5.651 0.309 155 HG22 VAL 24 1HG2 VAL 24 -2.924 -4.866 1.758 156 HG23 VAL 24 2HG2 VAL 24 -3.973 -3.968 0.635 157 H GLU 25 H GLU 25 1.065 -2.628 1.065 158 HA GLU 25 HA GLU 25 1.904 -1.149 -1.396 159 HB3 GLU 25 1HB GLU 25 2.575 -1.105 1.561 160 HG3 GLU 25 1HG GLU 25 4.756 -0.960 0.363 161 H PHE 26 H PHE 26 3.474 -1.928 -2.653 162 HA PHE 26 HA PHE 26 4.970 -4.383 -1.822 163 HB3 PHE 26 1HB PHE 26 5.068 -4.867 -4.231 164 HD1 PHE 26 HD2 PHE 26 3.978 -6.712 -2.871 165 HD2 PHE 26 HD1 PHE 26 1.742 -3.357 -4.405 166 HE1 PHE 26 HE2 PHE 26 1.853 -7.901 -2.389 167 HE2 PHE 26 HE1 PHE 26 -0.384 -4.560 -3.935 168 HZ PHE 26 HZ PHE 26 -0.319 -6.792 -2.875 169 H GLY 27 H GLY 27 7.122 -4.341 -1.724 170 HA2 GLY 27 1HA GLY 27 9.027 -3.025 -3.220 171 HA3 GLY 27 2HA GLY 27 8.536 -1.824 -2.041 172 H THR 28 H THR 28 10.541 -1.824 -0.946 173 HA THR 28 HA THR 28 10.887 -3.920 1.088 174 HB THR 28 HB THR 28 13.310 -4.098 0.788 175 HG1 THR 28 HG1 THR 28 14.170 -3.289 -1.210 176 HG21 THR 28 3HG2 THR 28 13.418 -5.520 -1.172 177 HG22 THR 28 1HG2 THR 28 11.929 -4.821 -1.820 178 HG23 THR 28 2HG2 THR 28 11.875 -5.784 -0.335 179 H ASP 29 H ASP 29 12.743 -3.068 2.665 180 HA ASP 29 HA ASP 29 11.931 -0.307 3.279 181 HB3 ASP 29 1HB ASP 29 11.950 -2.105 5.021 182 H TRP 30 H TRP 30 14.173 -1.568 1.271 183 HA TRP 30 HA TRP 30 16.288 0.448 1.863 184 HB3 TRP 30 1HB TRP 30 17.013 -1.639 2.645 185 HD1 TRP 30 HD TRP 30 15.779 -3.865 2.859 186 HE1 TRP 30 HE1 TRP 30 15.446 -5.926 1.385 187 HE3 TRP 30 HE3 TRP 30 17.541 -1.971 -1.575 188 HZ2 TRP 30 HZ2 TRP 30 15.782 -6.630 -1.389 189 HZ3 TRP 30 HZ3 TRP 30 17.538 -3.368 -3.600 190 HH2 TRP 30 HH TRP 30 16.661 -5.698 -3.535 191 H CYS 31 H CYS 31 14.310 -0.803 -0.814 192 HA CYS 31 HA CYS 31 16.102 -0.033 -2.915 193 HB2 CYS 31 1HB CYS 31 14.135 -1.462 -3.301 194 HB3 CYS 31 2HB CYS 31 13.056 -0.118 -2.919 195 H GLY 32 H GLY 32 16.308 1.836 -4.117 196 HA2 GLY 32 1HA GLY 32 15.907 4.407 -2.839 197 HA3 GLY 32 2HA GLY 32 16.485 4.115 -4.491 198 H HIS 33 H HIS 33 13.847 2.506 -5.004 199 HA HIS 33 HA HIS 33 12.043 4.719 -5.669 200 HB2 HIS 33 1HB HIS 33 11.599 1.703 -5.362 201 HB3 HIS 33 2HB HIS 33 10.366 2.845 -5.856 202 HD1 HIS 33 HD1 HIS 33 12.039 0.336 -7.497 203 HD2 HIS 33 HD2 HIS 33 11.486 4.440 -8.166 204 HE1 HIS 33 HE1 HIS 33 11.953 0.641 -10.030 205 H CYS 34 H CYS 34 12.116 2.208 -3.146 206 HA CYS 34 HA CYS 34 9.838 3.088 -1.689 207 HB3 CYS 34 1HB CYS 34 11.130 1.747 0.162 208 HG CYS 34 HG CYS 34 8.978 0.842 -0.984 209 H GLN 35 H GLN 35 13.270 4.086 -1.374 210 HA GLN 35 HA GLN 35 12.847 5.378 1.140 211 HB3 GLN 35 1HB GLN 35 14.915 6.650 0.696 212 HG3 GLN 35 1HG GLN 35 16.520 4.956 0.353 213 HE21 GLN 35 2HE2 GLN 35 14.406 2.334 0.320 214 HE22 GLN 35 1HE2 GLN 35 14.366 2.075 2.068 215 H ALA 36 H ALA 36 12.030 6.351 -2.048 216 HA ALA 36 HA ALA 36 11.470 9.185 -1.385 217 HB1 ALA 36 3HB ALA 36 12.487 8.572 -3.560 218 HB2 ALA 36 1HB ALA 36 11.073 7.567 -3.951 219 HB3 ALA 36 2HB ALA 36 10.887 9.320 -3.778 220 H ALA 37 H ALA 37 9.644 6.173 -2.106 221 HA ALA 37 HA ALA 37 7.064 7.529 -1.905 222 HB1 ALA 37 3HB ALA 37 7.430 5.662 -3.462 223 HB2 ALA 37 1HB ALA 37 7.755 4.575 -2.089 224 HB3 ALA 37 2HB ALA 37 6.136 5.308 -2.305 225 H GLN 38 H GLN 38 9.049 5.636 0.349 226 HA GLN 38 HA GLN 38 7.079 4.989 2.283 227 HB3 GLN 38 1HB GLN 38 9.169 5.201 3.859 228 HG3 GLN 38 1HG GLN 38 9.102 3.271 1.491 229 HE21 GLN 38 2HE2 GLN 38 9.567 1.477 4.241 230 HE22 GLN 38 1HE2 GLN 38 11.322 1.459 4.222 231 HA PRO 39 HA PRO 39 7.677 9.117 4.600 232 HB3 PRO 39 1HB PRO 39 9.775 10.033 4.372 233 HG3 PRO 39 1HG PRO 39 10.952 9.950 2.279 234 HD3 PRO 39 1HD PRO 39 10.386 7.736 2.880 235 H LEU 40 H LEU 40 6.999 8.887 1.175 236 HA LEU 40 HA LEU 40 5.230 11.163 0.915 237 HB3 LEU 40 1HB LEU 40 4.770 8.708 -0.751 238 HG LEU 40 HG LEU 40 4.743 9.985 -2.594 239 HD11 LEU 40 1HD1 LEU 40 3.897 12.196 -0.692 240 HD12 LEU 40 2HD1 LEU 40 2.961 10.705 -0.830 241 HD13 LEU 40 3HD1 LEU 40 3.198 11.693 -2.263 242 HD21 LEU 40 3HD2 LEU 40 6.356 12.139 -1.175 243 HD22 LEU 40 1HD2 LEU 40 5.744 12.226 -2.855 244 HD23 LEU 40 2HD2 LEU 40 6.935 10.992 -2.406 245 H LEU 41 H LEU 41 4.695 7.652 1.306 246 HA LEU 41 HA LEU 41 1.876 7.796 1.791 247 HB3 LEU 41 1HB LEU 41 2.459 5.524 3.060 248 HG LEU 41 HG LEU 41 2.487 4.183 1.156 249 HD11 LEU 41 1HD1 LEU 41 0.398 5.322 1.480 250 HD12 LEU 41 2HD1 LEU 41 0.691 4.976 -0.240 251 HD13 LEU 41 3HD1 LEU 41 0.892 6.625 0.382 252 HD21 LEU 41 3HD2 LEU 41 3.533 6.535 -0.422 253 HD22 LEU 41 1HD2 LEU 41 2.960 5.009 -1.133 254 HD23 LEU 41 2HD2 LEU 41 4.350 5.006 -0.054 255 H ALA 42 H ALA 42 4.674 7.696 4.037 256 HA ALA 42 HA ALA 42 3.218 7.744 6.446 257 HB1 ALA 42 3HB ALA 42 5.296 8.516 7.450 258 HB2 ALA 42 1HB ALA 42 5.661 7.320 6.193 259 HB3 ALA 42 2HB ALA 42 5.905 9.053 5.871 260 H GLU 43 H GLU 43 4.119 10.528 4.386 261 HA GLU 43 HA GLU 43 3.043 12.518 6.204 262 HB3 GLU 43 1HB GLU 43 3.047 13.935 4.043 263 HG3 GLU 43 1HG GLU 43 5.631 13.803 3.903 264 H VAL 44 H VAL 44 1.689 10.883 3.274 265 HA VAL 44 HA VAL 44 -0.811 12.232 3.334 266 HB VAL 44 HB VAL 44 -0.242 9.440 2.319 267 HG11 VAL 44 1HG1 VAL 44 -2.164 9.885 0.811 268 HG12 VAL 44 2HG1 VAL 44 -2.557 9.595 2.520 269 HG13 VAL 44 3HG1 VAL 44 -2.607 11.229 1.887 270 HG21 VAL 44 3HG2 VAL 44 -0.441 11.533 0.354 271 HG22 VAL 44 1HG2 VAL 44 0.966 11.695 1.414 272 HG23 VAL 44 2HG2 VAL 44 0.685 10.162 0.566 273 H PHE 45 H PHE 45 0.064 9.041 4.699 274 HA PHE 45 HA PHE 45 -2.349 8.411 6.048 275 HB3 PHE 45 1HB PHE 45 -0.503 7.224 7.605 276 HD1 PHE 45 HD2 PHE 45 -2.689 5.947 7.189 277 HD2 PHE 45 HD1 PHE 45 0.627 5.990 4.414 278 HE1 PHE 45 HE2 PHE 45 -3.407 3.779 6.226 279 HE2 PHE 45 HE1 PHE 45 -0.082 3.820 3.536 280 HZ PHE 45 HZ PHE 45 -2.151 2.743 4.388 281 H SER 46 H SER 46 -0.112 10.958 6.789 282 HA SER 46 HA SER 46 -0.533 10.992 9.661 283 HB3 SER 46 1HB SER 46 0.084 13.422 7.981 284 HG SER 46 HG SER 46 1.402 13.859 9.831 285 H ASP 47 H ASP 47 -2.497 12.043 6.931 286 HA ASP 47 HA ASP 47 -4.432 13.413 8.749 287 HB3 ASP 47 1HB ASP 47 -4.454 13.248 5.721 288 H TYR 48 H TYR 48 -3.901 10.361 7.364 289 HA TYR 48 HA TYR 48 -6.769 9.570 7.728 290 HB3 TYR 48 1HB TYR 48 -6.647 8.141 5.809 291 HD1 TYR 48 HD1 TYR 48 -8.223 10.239 5.506 292 HD2 TYR 48 HD2 TYR 48 -4.125 10.066 4.220 293 HE1 TYR 48 HE1 TYR 48 -8.636 12.110 3.938 294 HE2 TYR 48 HE2 TYR 48 -4.463 12.090 2.829 295 HH TYR 48 HH TYR 48 -5.972 13.640 2.057 296 HA PRO 49 HA PRO 49 -3.615 6.819 10.073 297 HB3 PRO 49 1HB PRO 49 -3.127 8.281 11.783 298 HG3 PRO 49 1HG PRO 49 -4.694 9.961 12.467 299 HD3 PRO 49 1HD PRO 49 -4.319 10.223 10.136 300 H GLU 50 H GLU 50 -7.118 7.263 10.177 301 HA GLU 50 HA GLU 50 -7.765 4.755 11.383 302 HB3 GLU 50 1HB GLU 50 -9.336 6.616 11.240 303 HG3 GLU 50 1HG GLU 50 -9.548 5.984 8.248 304 H VAL 51 H VAL 51 -6.386 5.377 8.283 305 HA VAL 51 HA VAL 51 -7.439 2.910 7.009 306 HB VAL 51 HB VAL 51 -5.348 4.896 6.040 307 HG11 VAL 51 1HG1 VAL 51 -5.057 2.671 4.935 308 HG12 VAL 51 2HG1 VAL 51 -6.765 2.687 4.467 309 HG13 VAL 51 3HG1 VAL 51 -5.652 3.882 3.804 310 HG21 VAL 51 3HG2 VAL 51 -8.264 4.597 5.208 311 HG22 VAL 51 1HG2 VAL 51 -7.582 5.925 6.167 312 HG23 VAL 51 2HG2 VAL 51 -7.082 5.712 4.489 313 H GLY 52 H GLY 52 -6.219 1.011 6.815 314 HA2 GLY 52 1HA GLY 52 -3.846 0.684 8.584 315 HA3 GLY 52 2HA GLY 52 -4.763 -0.598 7.766 316 H HIS 53 H HIS 53 -1.858 -0.316 7.799 317 HA HIS 53 HA HIS 53 -1.418 -0.116 4.849 318 HB2 HIS 53 1HB HIS 53 -0.627 1.919 6.275 319 HB3 HIS 53 2HB HIS 53 0.628 0.840 6.859 320 HD1 HIS 53 HD1 HIS 53 2.365 2.581 5.612 321 HD2 HIS 53 HD2 HIS 53 -0.293 0.493 3.104 322 HE1 HIS 53 HE1 HIS 53 3.270 2.785 3.230 323 H LEU 54 H LEU 54 -0.762 -2.048 4.117 324 HA LEU 54 HA LEU 54 0.914 -3.818 5.841 325 HB3 LEU 54 1HB LEU 54 -0.998 -4.348 3.535 326 HG LEU 54 HG LEU 54 0.837 -5.961 3.261 327 HD11 LEU 54 1HD1 LEU 54 0.326 -6.705 6.167 328 HD12 LEU 54 2HD1 LEU 54 1.812 -5.975 5.516 329 HD13 LEU 54 3HD1 LEU 54 1.356 -7.608 5.022 330 HD21 LEU 54 3HD2 LEU 54 -1.594 -7.218 4.582 331 HD22 LEU 54 1HD2 LEU 54 -0.514 -7.967 3.378 332 HD23 LEU 54 2HD2 LEU 54 -1.549 -6.609 2.913 333 H LYS 55 H LYS 55 3.013 -3.419 5.424 334 HA LYS 55 HA LYS 55 3.965 -2.706 2.707 335 HB3 LYS 55 1HB LYS 55 6.140 -2.522 3.854 336 HG3 LYS 55 1HG LYS 55 4.566 -0.541 3.666 337 HD3 LYS 55 1HD LYS 55 3.042 -0.886 5.554 338 HE3 LYS 55 1HE LYS 55 5.537 -0.739 7.314 339 HZ1 LYS 55 3HZ LYS 55 3.653 0.357 8.319 340 HZ2 LYS 55 1HZ LYS 55 3.909 -1.053 9.099 341 HZ3 LYS 55 2HZ LYS 55 2.669 -0.930 8.047 342 H VAL 56 H VAL 56 3.988 -4.474 1.416 343 HA VAL 56 HA VAL 56 4.858 -7.151 2.378 344 HB VAL 56 HB VAL 56 3.867 -6.319 -0.384 345 HG11 VAL 56 1HG1 VAL 56 4.100 -9.072 0.905 346 HG12 VAL 56 2HG1 VAL 56 3.397 -8.726 -0.677 347 HG13 VAL 56 3HG1 VAL 56 5.114 -8.436 -0.413 348 HG21 VAL 56 3HG2 VAL 56 2.255 -7.508 1.910 349 HG22 VAL 56 1HG2 VAL 56 2.093 -5.873 1.234 350 HG23 VAL 56 2HG2 VAL 56 1.686 -7.263 0.236 351 H GLU 57 H GLU 57 6.840 -7.702 2.362 352 HA GLU 57 HA GLU 57 8.822 -6.224 0.907 353 HB3 GLU 57 1HB GLU 57 9.362 -8.781 2.427 354 HG3 GLU 57 1HG GLU 57 10.709 -6.067 2.214 355 H ASP 58 H ASP 58 9.781 -6.651 -0.954 356 HA ASP 58 HA ASP 58 9.133 -8.831 -2.693 357 HB3 ASP 58 1HB ASP 58 11.532 -6.979 -2.821 358 H GLY 59 H GLY 59 10.410 -10.567 -3.425 359 HA2 GLY 59 1HA GLY 59 12.073 -12.303 -3.179 360 HA3 GLY 59 2HA GLY 59 12.462 -11.686 -1.570 361 HA PRO 60 HA PRO 60 9.341 -14.848 -0.430 362 HB3 PRO 60 1HB PRO 60 10.705 -15.479 1.317 363 HG3 PRO 60 1HG PRO 60 12.111 -13.912 2.430 364 HD3 PRO 60 1HD PRO 60 12.656 -13.585 0.162 365 H GLY 61 H GLY 61 7.419 -14.088 -1.059 366 HA2 GLY 61 1HA GLY 61 5.317 -12.952 -0.151 367 HA3 GLY 61 2HA GLY 61 6.325 -11.514 0.040 368 H ARG 62 H ARG 62 7.596 -12.643 -2.725 369 HA ARG 62 HA ARG 62 6.340 -10.878 -4.506 370 HB3 ARG 62 1HB ARG 62 7.277 -12.533 -6.309 371 HG3 ARG 62 1HG ARG 62 9.051 -11.237 -4.214 372 HD3 ARG 62 1HD ARG 62 9.756 -12.235 -7.004 373 HE ARG 62 HE ARG 62 11.031 -10.209 -5.680 374 HH11 ARG 62 1HH1 ARG 62 12.103 -13.479 -6.551 375 HH12 ARG 62 2HH1 ARG 62 13.776 -13.017 -6.491 376 HH21 ARG 62 1HH2 ARG 62 13.108 -9.733 -5.526 377 HH22 ARG 62 2HH2 ARG 62 14.367 -10.889 -5.948 378 H ARG 63 H ARG 63 5.277 -14.178 -3.732 379 HA ARG 63 HA ARG 63 3.483 -14.621 -5.874 380 HB3 ARG 63 1HB ARG 63 2.266 -16.102 -4.251 381 HG3 ARG 63 1HG ARG 63 5.303 -16.406 -4.209 382 HD3 ARG 63 1HD ARG 63 3.028 -18.422 -3.926 383 HE ARG 63 HE ARG 63 5.716 -18.833 -4.791 384 HH11 ARG 63 1HH1 ARG 63 3.433 -20.270 -2.492 385 HH12 ARG 63 2HH1 ARG 63 4.188 -21.832 -2.580 386 HH21 ARG 63 1HH2 ARG 63 6.621 -20.879 -4.875 387 HH22 ARG 63 2HH2 ARG 63 5.953 -22.176 -3.921 388 H LEU 64 H LEU 64 2.997 -12.647 -2.923 389 HA LEU 64 HA LEU 64 0.176 -12.222 -3.366 390 HB3 LEU 64 1HB LEU 64 2.165 -10.504 -1.818 391 HG LEU 64 HG LEU 64 -0.024 -9.387 -1.885 392 HD11 LEU 64 1HD1 LEU 64 -1.123 -12.092 -0.997 393 HD12 LEU 64 2HD1 LEU 64 -1.545 -11.166 -2.462 394 HD13 LEU 64 3HD1 LEU 64 -2.044 -10.581 -0.880 395 HD21 LEU 64 3HD2 LEU 64 -0.401 -9.243 0.496 396 HD22 LEU 64 1HD2 LEU 64 1.332 -9.540 0.268 397 HD23 LEU 64 2HD2 LEU 64 0.269 -10.860 0.774 398 H GLY 65 H GLY 65 3.017 -10.085 -4.096 399 HA2 GLY 65 1HA GLY 65 1.561 -8.124 -5.550 400 HA3 GLY 65 2HA GLY 65 3.295 -8.467 -5.729 401 H ARG 66 H ARG 66 2.858 -11.212 -6.688 402 HA ARG 66 HA ARG 66 2.281 -10.874 -9.480 403 HB3 ARG 66 1HB ARG 66 2.392 -13.401 -7.792 404 HG3 ARG 66 1HG ARG 66 2.729 -12.980 -10.793 405 HD3 ARG 66 1HD ARG 66 3.057 -15.456 -9.024 406 HE ARG 66 HE ARG 66 2.317 -16.463 -10.959 407 HH11 ARG 66 1HH1 ARG 66 4.729 -14.059 -11.930 408 HH12 ARG 66 2HH1 ARG 66 4.814 -14.666 -13.556 409 HH21 ARG 66 1HH2 ARG 66 2.486 -17.210 -13.058 410 HH22 ARG 66 2HH2 ARG 66 3.574 -16.452 -14.170 411 H SER 67 H SER 67 0.261 -12.312 -6.818 412 HA SER 67 HA SER 67 -2.051 -12.666 -8.549 413 HB3 SER 67 1HB SER 67 -3.177 -13.236 -6.391 414 HG SER 67 HG SER 67 -1.806 -15.052 -5.955 415 H PHE 68 H PHE 68 -0.807 -9.909 -6.888 416 HA PHE 68 HA PHE 68 -3.322 -8.408 -7.230 417 HB3 PHE 68 1HB PHE 68 -1.491 -6.510 -6.692 418 HD1 PHE 68 HD1 PHE 68 -3.695 -5.896 -5.822 419 HD2 PHE 68 HD2 PHE 68 -1.294 -8.915 -3.956 420 HE1 PHE 68 HE1 PHE 68 -4.946 -5.589 -3.699 421 HE2 PHE 68 HE2 PHE 68 -2.528 -8.608 -1.830 422 HZ PHE 68 HZ PHE 68 -4.365 -6.925 -1.697 423 H GLN 69 H GLN 69 -0.782 -9.434 -9.262 424 HA GLN 69 HA GLN 69 0.044 -8.768 -11.258 425 HB3 GLN 69 1HB GLN 69 -1.606 -7.969 -12.901 426 HG3 GLN 69 1HG GLN 69 -1.472 -10.396 -12.212 427 HE21 GLN 69 2HE2 GLN 69 -4.092 -8.672 -10.390 428 HE22 GLN 69 1HE2 GLN 69 -4.475 -10.125 -9.477 429 H VAL 70 H VAL 70 1.086 -7.273 -9.438 430 HA VAL 70 HA VAL 70 0.666 -4.462 -9.509 431 HB VAL 70 HB VAL 70 2.975 -6.222 -8.669 432 HG11 VAL 70 1HG1 VAL 70 4.046 -4.159 -7.642 433 HG12 VAL 70 2HG1 VAL 70 4.165 -4.224 -9.399 434 HG13 VAL 70 3HG1 VAL 70 2.960 -3.173 -8.635 435 HG21 VAL 70 3HG2 VAL 70 0.937 -6.097 -7.260 436 HG22 VAL 70 1HG2 VAL 70 2.369 -5.459 -6.442 437 HG23 VAL 70 2HG2 VAL 70 1.166 -4.339 -7.100 438 H LYS 71 H LYS 71 1.318 -2.832 -10.774 439 HA LYS 71 HA LYS 71 1.939 -3.581 -13.505 440 HB3 LYS 71 1HB LYS 71 1.352 -1.292 -14.024 441 HG3 LYS 71 1HG LYS 71 -0.821 -0.999 -13.080 442 HD3 LYS 71 1HD LYS 71 -0.221 -3.976 -13.312 443 HE3 LYS 71 1HE LYS 71 -2.919 -2.634 -13.666 444 HZ1 LYS 71 3HZ LYS 71 -3.648 -4.894 -13.173 445 HZ2 LYS 71 1HZ LYS 71 -2.093 -5.374 -12.883 446 HZ3 LYS 71 2HZ LYS 71 -2.574 -4.969 -14.408 447 H LEU 72 H LEU 72 3.584 -1.420 -11.189 448 HA LEU 72 HA LEU 72 6.070 -1.501 -12.859 449 HB3 LEU 72 1HB LEU 72 5.245 0.506 -10.717 450 HG LEU 72 HG LEU 72 7.729 0.468 -11.214 451 HD11 LEU 72 1HD1 LEU 72 7.734 -0.249 -13.553 452 HD12 LEU 72 2HD1 LEU 72 8.480 1.345 -13.418 453 HD13 LEU 72 3HD1 LEU 72 6.818 1.206 -14.026 454 HD21 LEU 72 3HD2 LEU 72 6.535 2.532 -10.499 455 HD22 LEU 72 1HD2 LEU 72 6.232 2.933 -12.207 456 HD23 LEU 72 2HD2 LEU 72 7.898 2.881 -11.592 457 H TRP 73 H TRP 73 6.782 -0.503 -9.812 458 HA TRP 73 HA TRP 73 6.685 -3.131 -8.452 459 HB3 TRP 73 1HB TRP 73 9.219 -1.531 -8.617 460 HD1 TRP 73 HD TRP 73 8.660 -5.315 -8.286 461 HE1 TRP 73 HE1 TRP 73 9.862 -6.150 -6.177 462 HE3 TRP 73 HE3 TRP 73 10.054 -0.789 -6.302 463 HZ2 TRP 73 HZ2 TRP 73 11.544 -4.993 -4.092 464 HZ3 TRP 73 HZ3 TRP 73 11.360 -0.691 -4.230 465 HH2 TRP 73 HH TRP 73 12.167 -2.775 -3.141 466 HA PRO 74 HA PRO 74 6.728 0.321 -5.244 467 HB3 PRO 74 1HB PRO 74 8.375 1.921 -5.523 468 HG3 PRO 74 1HG PRO 74 8.888 2.778 -7.719 469 HD3 PRO 74 1HD PRO 74 9.129 0.465 -7.884 470 H THR 75 H THR 75 4.621 -0.245 -5.141 471 HA THR 75 HA THR 75 2.481 1.315 -6.458 472 HB THR 75 HB THR 75 3.111 -1.620 -7.038 473 HG1 THR 75 HG1 THR 75 3.769 0.496 -8.273 474 HG21 THR 75 3HG2 THR 75 0.726 -1.578 -6.687 475 HG22 THR 75 1HG2 THR 75 1.008 -1.593 -8.423 476 HG23 THR 75 2HG2 THR 75 0.546 -0.077 -7.615 477 H PHE 76 H PHE 76 0.704 1.307 -5.285 478 HA PHE 76 HA PHE 76 0.392 -0.697 -3.147 479 HB3 PHE 76 1HB PHE 76 1.255 0.882 -1.737 480 HD1 PHE 76 HD1 PHE 76 2.942 2.067 -3.108 481 HD2 PHE 76 HD2 PHE 76 -1.078 3.515 -2.590 482 HE1 PHE 76 HE1 PHE 76 3.661 4.294 -3.906 483 HE2 PHE 76 HE2 PHE 76 -0.337 5.760 -3.297 484 HZ PHE 76 HZ PHE 76 1.999 6.123 -4.075 485 H VAL 77 H VAL 77 -1.477 -1.478 -2.922 486 HA VAL 77 HA VAL 77 -3.700 -0.521 -4.667 487 HB VAL 77 HB VAL 77 -3.178 -3.312 -3.569 488 HG11 VAL 77 1HG1 VAL 77 -5.552 -2.939 -4.061 489 HG12 VAL 77 2HG1 VAL 77 -5.154 -2.298 -5.649 490 HG13 VAL 77 3HG1 VAL 77 -4.862 -3.995 -5.289 491 HG21 VAL 77 3HG2 VAL 77 -1.396 -2.739 -5.156 492 HG22 VAL 77 1HG2 VAL 77 -2.507 -3.885 -5.899 493 HG23 VAL 77 2HG2 VAL 77 -2.579 -2.171 -6.336 494 H PHE 78 H PHE 78 -5.500 0.214 -3.783 495 HA PHE 78 HA PHE 78 -5.794 0.182 -0.826 496 HB3 PHE 78 1HB PHE 78 -7.634 1.798 -1.253 497 HD1 PHE 78 HD2 PHE 78 -4.969 2.381 -3.826 498 HD2 PHE 78 HD1 PHE 78 -6.395 3.400 0.125 499 HE1 PHE 78 HE2 PHE 78 -3.237 4.101 -3.642 500 HE2 PHE 78 HE1 PHE 78 -4.722 5.212 0.234 501 HZ PHE 78 HZ PHE 78 -3.138 5.564 -1.681 502 H LEU 79 H LEU 79 -6.921 -1.365 0.098 503 HA LEU 79 HA LEU 79 -9.138 -2.709 -1.362 504 HB3 LEU 79 1HB LEU 79 -8.710 -4.300 0.763 505 HG LEU 79 HG LEU 79 -8.756 -5.041 -1.537 506 HD11 LEU 79 1HD1 LEU 79 -6.834 -5.166 -2.928 507 HD12 LEU 79 2HD1 LEU 79 -5.802 -4.369 -1.699 508 HD13 LEU 79 3HD1 LEU 79 -7.086 -3.473 -2.527 509 HD21 LEU 79 3HD2 LEU 79 -7.238 -6.956 -1.225 510 HD22 LEU 79 1HD2 LEU 79 -8.119 -6.557 0.256 511 HD23 LEU 79 2HD2 LEU 79 -6.416 -6.077 0.088 512 H ARG 80 H ARG 80 -11.059 -3.071 -0.288 513 HA ARG 80 HA ARG 80 -11.594 -2.294 2.435 514 HB3 ARG 80 1HB ARG 80 -13.095 -0.666 0.343 515 HG3 ARG 80 1HG ARG 80 -12.657 -0.371 3.351 516 HD3 ARG 80 1HD ARG 80 -14.186 1.457 1.445 517 HE ARG 80 HE ARG 80 -14.808 1.170 4.003 518 HH11 ARG 80 1HH1 ARG 80 -12.874 3.829 2.591 519 HH12 ARG 80 2HH1 ARG 80 -13.305 4.897 3.887 520 HH21 ARG 80 1HH2 ARG 80 -15.314 2.653 5.591 521 HH22 ARG 80 2HH2 ARG 80 -14.657 4.259 5.536 522 H ASP 81 H ASP 81 -13.355 -3.378 3.153 523 HA ASP 81 HA ASP 81 -14.743 -5.161 3.277 524 HB3 ASP 81 1HB ASP 81 -15.722 -4.502 0.473 525 H GLY 82 H GLY 82 -12.021 -5.530 2.266 526 HA2 GLY 82 1HA GLY 82 -10.667 -7.269 1.606 527 HA3 GLY 82 2HA GLY 82 -12.110 -8.275 1.352 528 H ARG 83 H ARG 83 -12.671 -5.618 -0.534 529 HA ARG 83 HA ARG 83 -11.656 -6.912 -3.004 530 HB3 ARG 83 1HB ARG 83 -13.861 -4.833 -2.580 531 HG3 ARG 83 1HG ARG 83 -13.241 -6.706 -4.909 532 HD3 ARG 83 1HD ARG 83 -15.681 -6.311 -4.576 533 HE ARG 83 HE ARG 83 -16.177 -4.170 -3.835 534 HH11 ARG 83 1HH1 ARG 83 -14.022 -3.764 -6.621 535 HH12 ARG 83 2HH1 ARG 83 -14.369 -2.068 -6.742 536 HH21 ARG 83 1HH2 ARG 83 -16.527 -1.982 -4.030 537 HH22 ARG 83 2HH2 ARG 83 -15.779 -1.079 -5.311 538 H GLU 84 H GLU 84 -10.462 -5.715 -4.439 539 HA GLU 84 HA GLU 84 -9.061 -3.314 -3.597 540 HB3 GLU 84 1HB GLU 84 -9.253 -4.753 -6.255 541 HG3 GLU 84 1HG GLU 84 -7.636 -2.274 -5.592 542 H VAL 85 H VAL 85 -9.822 -1.359 -3.501 543 HA VAL 85 HA VAL 85 -12.231 -0.544 -5.075 544 HB VAL 85 HB VAL 85 -12.214 1.475 -3.578 545 HG11 VAL 85 1HG1 VAL 85 -13.689 -0.494 -3.240 546 HG12 VAL 85 2HG1 VAL 85 -12.477 -1.199 -2.148 547 HG13 VAL 85 3HG1 VAL 85 -13.283 0.339 -1.737 548 HG21 VAL 85 3HG2 VAL 85 -10.987 1.480 -1.486 549 HG22 VAL 85 1HG2 VAL 85 -10.315 -0.114 -1.796 550 HG23 VAL 85 2HG2 VAL 85 -9.796 1.261 -2.775 551 H ALA 86 H ALA 86 -8.805 -0.038 -4.857 552 HA ALA 86 HA ALA 86 -8.613 1.400 -7.334 553 HB1 ALA 86 3HB ALA 86 -8.125 2.924 -4.724 554 HB2 ALA 86 1HB ALA 86 -7.678 3.524 -6.325 555 HB3 ALA 86 2HB ALA 86 -9.382 3.308 -5.938 556 H ARG 87 H ARG 87 -6.258 2.283 -7.527 557 HA ARG 87 HA ARG 87 -4.374 1.475 -5.542 558 HB3 ARG 87 1HB ARG 87 -4.494 -0.630 -6.737 559 HG3 ARG 87 1HG ARG 87 -3.524 0.973 -9.152 560 HD3 ARG 87 1HD ARG 87 -2.281 -1.126 -8.566 561 HE ARG 87 HE ARG 87 -4.924 -2.284 -8.583 562 HH11 ARG 87 1HH1 ARG 87 -1.613 -3.148 -9.568 563 HH12 ARG 87 2HH1 ARG 87 -1.986 -4.853 -9.522 564 HH21 ARG 87 1HH2 ARG 87 -5.236 -4.460 -8.387 565 HH22 ARG 87 2HH2 ARG 87 -3.941 -5.569 -8.828 566 H VAL 88 H VAL 88 -2.333 2.429 -5.810 567 HA VAL 88 HA VAL 88 -2.158 4.603 -7.907 568 HB VAL 88 HB VAL 88 -1.339 4.607 -5.023 569 HG11 VAL 88 1HG1 VAL 88 -0.435 6.949 -5.444 570 HG12 VAL 88 2HG1 VAL 88 0.495 5.715 -6.303 571 HG13 VAL 88 3HG1 VAL 88 -0.694 6.696 -7.178 572 HG21 VAL 88 3HG2 VAL 88 -3.707 5.263 -5.470 573 HG22 VAL 88 1HG2 VAL 88 -2.733 6.503 -4.673 574 HG23 VAL 88 2HG2 VAL 88 -3.101 6.638 -6.415 575 H VAL 89 H VAL 89 -0.485 4.422 -9.183 576 HA VAL 89 HA VAL 89 1.821 2.611 -8.502 577 HB VAL 89 HB VAL 89 0.663 3.348 -11.237 578 HG11 VAL 89 1HG1 VAL 89 3.048 1.565 -10.539 579 HG12 VAL 89 2HG1 VAL 89 2.290 1.681 -12.144 580 HG13 VAL 89 3HG1 VAL 89 3.084 3.092 -11.444 581 HG21 VAL 89 3HG2 VAL 89 0.728 0.635 -9.848 582 HG22 VAL 89 1HG2 VAL 89 -0.717 1.669 -10.016 583 HG23 VAL 89 2HG2 VAL 89 0.058 1.006 -11.453 584 H ARG 90 H ARG 90 3.735 3.602 -8.316 585 HA ARG 90 HA ARG 90 5.393 5.112 -8.327 586 HB3 ARG 90 1HB ARG 90 4.333 5.983 -11.032 587 HG3 ARG 90 1HG ARG 90 7.147 5.659 -9.893 588 HD3 ARG 90 1HD ARG 90 6.185 6.796 -12.559 589 HE ARG 90 HE ARG 90 8.622 7.226 -11.213 590 HH11 ARG 90 1HH1 ARG 90 7.623 6.096 -14.421 591 HH12 ARG 90 2HH1 ARG 90 9.078 6.667 -15.179 592 HH21 ARG 90 1HH2 ARG 90 10.483 7.928 -12.249 593 HH22 ARG 90 2HH2 ARG 90 10.687 7.673 -13.952 594 HA PRO 91 HA PRO 91 2.628 8.634 -6.806 595 HB3 PRO 91 1HB PRO 91 2.761 8.035 -4.664 596 HG3 PRO 91 1HG PRO 91 4.525 6.642 -3.881 597 HD3 PRO 91 1HD PRO 91 3.810 5.531 -5.853 598 H GLY 92 H GLY 92 2.894 10.604 -7.719 599 HA2 GLY 92 1HA GLY 92 5.542 11.579 -8.542 600 HA3 GLY 92 2HA GLY 92 3.952 12.314 -8.893 601 H SER 93 H SER 93 3.102 12.433 -6.143 602 HA SER 93 HA SER 93 4.838 13.843 -4.386 603 HB3 SER 93 1HB SER 93 2.891 15.664 -5.825 604 HG SER 93 HG SER 93 4.158 17.262 -4.678 605 H ALA 94 H ALA 94 3.580 14.754 -2.525 606 HA ALA 94 HA ALA 94 1.498 13.044 -1.564 607 HB1 ALA 94 3HB ALA 94 3.063 14.392 -0.180 608 HB2 ALA 94 1HB ALA 94 2.252 15.873 -0.735 609 HB3 ALA 94 2HB ALA 94 1.370 14.661 0.241 610 H SER 95 H SER 95 1.268 16.026 -3.528 611 HA SER 95 HA SER 95 -1.537 16.490 -3.169 612 HB3 SER 95 1HB SER 95 -0.093 18.153 -4.178 613 HG SER 95 HG SER 95 0.779 17.762 -6.301 614 H VAL 96 H VAL 96 0.152 14.067 -5.107 615 HA VAL 96 HA VAL 96 -2.326 13.287 -6.567 616 HB VAL 96 HB VAL 96 0.522 12.214 -6.744 617 HG11 VAL 96 1HG1 VAL 96 -0.235 11.172 -8.866 618 HG12 VAL 96 2HG1 VAL 96 -1.036 10.491 -7.459 619 HG13 VAL 96 3HG1 VAL 96 -1.911 11.657 -8.490 620 HG21 VAL 96 3HG2 VAL 96 -0.961 14.112 -8.613 621 HG22 VAL 96 1HG2 VAL 96 0.439 14.522 -7.583 622 HG23 VAL 96 2HG2 VAL 96 0.629 13.390 -8.921 623 H LEU 97 H LEU 97 -0.059 12.055 -4.084 624 HA LEU 97 HA LEU 97 -1.417 9.511 -3.787 625 HB3 LEU 97 1HB LEU 97 0.117 10.525 -1.503 626 HG LEU 97 HG LEU 97 0.597 8.260 -3.501 627 HD11 LEU 97 1HD1 LEU 97 2.167 7.306 -1.956 628 HD12 LEU 97 2HD1 LEU 97 1.935 8.644 -0.796 629 HD13 LEU 97 3HD1 LEU 97 2.678 8.933 -2.385 630 HD21 LEU 97 3HD2 LEU 97 -1.444 7.852 -2.229 631 HD22 LEU 97 1HD2 LEU 97 -0.653 8.365 -0.716 632 HD23 LEU 97 2HD2 LEU 97 -0.186 6.863 -1.514 633 H GLU 98 H GLU 98 -1.585 12.574 -1.848 634 HA GLU 98 HA GLU 98 -3.555 11.616 -0.032 635 HB3 GLU 98 1HB GLU 98 -4.134 13.948 0.320 636 HG3 GLU 98 1HG GLU 98 -1.147 13.576 0.396 637 H GLU 99 H GLU 99 -3.900 13.080 -3.285 638 HA GLU 99 HA GLU 99 -6.692 13.503 -3.358 639 HB3 GLU 99 1HB GLU 99 -4.635 12.823 -5.477 640 HG3 GLU 99 1HG GLU 99 -7.556 13.404 -5.853 641 H ALA 100 H ALA 100 -4.811 10.534 -3.876 642 HA ALA 100 HA ALA 100 -7.193 8.940 -4.544 643 HB1 ALA 100 3HB ALA 100 -5.613 7.051 -4.449 644 HB2 ALA 100 1HB ALA 100 -4.993 8.375 -5.469 645 HB3 ALA 100 2HB ALA 100 -4.337 8.142 -3.838 646 H PHE 101 H PHE 101 -5.151 9.469 -1.608 647 HA PHE 101 HA PHE 101 -6.418 7.522 -0.004 648 HB3 PHE 101 1HB PHE 101 -5.766 9.416 1.777 649 HD1 PHE 101 HD2 PHE 101 -3.328 7.876 -0.755 650 HD2 PHE 101 HD1 PHE 101 -4.975 7.820 3.263 651 HE1 PHE 101 HE2 PHE 101 -1.656 6.239 -0.033 652 HE2 PHE 101 HE1 PHE 101 -3.229 6.226 3.947 653 HZ PHE 101 HZ PHE 101 -1.515 5.503 2.261 654 H GLU 102 H GLU 102 -7.212 11.023 -0.271 655 HA GLU 102 HA GLU 102 -9.490 10.981 1.418 656 HB3 GLU 102 1HB GLU 102 -8.605 13.078 0.753 657 HG3 GLU 102 1HG GLU 102 -8.433 12.169 -1.878 658 H SER 103 H SER 103 -9.221 9.982 -1.957 659 HA SER 103 HA SER 103 -12.068 9.796 -2.370 660 HB3 SER 103 1HB SER 103 -9.815 8.471 -3.920 661 HG SER 103 HG SER 103 -11.390 8.650 -5.628 662 H LEU 104 H LEU 104 -9.623 7.566 -1.089 663 HA LEU 104 HA LEU 104 -11.574 5.289 -1.209 664 HB3 LEU 104 1HB LEU 104 -9.544 3.934 -0.548 665 HG LEU 104 HG LEU 104 -8.772 3.552 -2.626 666 HD11 LEU 104 1HD1 LEU 104 -10.584 3.595 -4.170 667 HD12 LEU 104 2HD1 LEU 104 -11.264 5.072 -3.485 668 HD13 LEU 104 3HD1 LEU 104 -11.333 3.541 -2.584 669 HD21 LEU 104 3HD2 LEU 104 -7.651 5.687 -3.034 670 HD22 LEU 104 1HD2 LEU 104 -9.216 6.424 -3.480 671 HD23 LEU 104 2HD2 LEU 104 -8.531 5.165 -4.474 672 H VAL 105 H VAL 105 -9.976 7.336 1.137 673 HA VAL 105 HA VAL 105 -10.801 5.825 3.435 674 HB VAL 105 HB VAL 105 -9.049 7.761 3.233 675 HG11 VAL 105 1HG1 VAL 105 -9.778 9.983 3.767 676 HG12 VAL 105 2HG1 VAL 105 -10.705 9.439 2.372 677 HG13 VAL 105 3HG1 VAL 105 -11.450 9.459 3.982 678 HG21 VAL 105 3HG2 VAL 105 -9.739 6.511 5.306 679 HG22 VAL 105 1HG2 VAL 105 -9.137 8.159 5.565 680 HG23 VAL 105 2HG2 VAL 105 -10.883 7.827 5.644 681 H GLY 106 H GLY 106 -12.433 8.032 1.275 682 HA2 GLY 106 1HA GLY 106 -14.733 8.205 0.976 683 HA3 GLY 106 2HA GLY 106 -15.038 7.559 2.601 684 H GLU 107 H GLU 107 -12.721 10.137 2.430 685 HA GLU 107 HA GLU 107 -14.567 12.032 3.740 686 HB3 GLU 107 1HB GLU 107 -12.416 13.516 3.457 687 HG3 GLU 107 1HG GLU 107 -11.250 12.336 5.366 688 H GLY 108 H GLY 108 -13.061 11.523 0.583 689 HA2 GLY 108 1HA GLY 108 -13.677 12.255 -1.495 690 HA3 GLY 108 2HA GLY 108 -15.119 13.004 -0.771 Start of MODEL 8 1 H1 MET 1 H MET 1 13.916 5.218 14.857 2 HA MET 1 HA MET 1 12.785 3.728 16.207 3 HB3 MET 1 1HB MET 1 11.430 4.759 18.022 4 HG3 MET 1 1HG MET 1 13.906 6.382 17.351 5 HE1 MET 1 3HE MET 1 14.993 7.373 20.948 6 HE2 MET 1 1HE MET 1 15.446 5.928 20.015 7 HE3 MET 1 2HE MET 1 15.335 7.504 19.211 8 H LYS 2 H LYS 2 11.240 5.063 13.699 9 HA LYS 2 HA LYS 2 8.447 4.351 14.233 10 HB3 LYS 2 1HB LYS 2 8.271 5.021 11.738 11 HG3 LYS 2 1HG LYS 2 7.615 6.564 13.499 12 HD3 LYS 2 1HD LYS 2 9.705 6.936 14.800 13 HE3 LYS 2 1HE LYS 2 10.630 8.526 12.354 14 HZ1 LYS 2 3HZ LYS 2 11.400 9.335 14.544 15 HZ2 LYS 2 1HZ LYS 2 12.638 8.788 13.638 16 HZ3 LYS 2 2HZ LYS 2 12.071 7.878 14.869 17 H THR 3 H THR 3 7.201 3.070 12.599 18 HA THR 3 HA THR 3 8.177 0.340 12.506 19 HB THR 3 HB THR 3 6.046 -0.193 11.428 20 HG1 THR 3 HG1 THR 3 4.574 1.725 11.327 21 HG21 THR 3 3HG2 THR 3 5.641 1.758 13.746 22 HG22 THR 3 1HG2 THR 3 6.137 0.059 13.908 23 HG23 THR 3 2HG2 THR 3 4.546 0.463 13.240 24 H ARG 4 H ARG 4 8.080 -0.965 10.510 25 HA ARG 4 HA ARG 4 8.895 0.321 8.004 26 HB3 ARG 4 1HB ARG 4 10.982 0.354 9.268 27 HG3 ARG 4 1HG ARG 4 12.257 -1.798 9.523 28 HD3 ARG 4 1HD ARG 4 11.480 -2.536 11.686 29 HE ARG 4 HE ARG 4 10.731 0.259 12.038 30 HH11 ARG 4 1HH1 ARG 4 13.577 -1.793 11.490 31 HH12 ARG 4 2HH1 ARG 4 14.646 -0.608 12.186 32 HH21 ARG 4 2HH2 ARG 4 12.116 1.686 12.872 33 HH22 ARG 4 1HH2 ARG 4 13.833 1.363 12.952 34 H TYR 5 H TYR 5 9.879 -1.833 6.611 35 HA TYR 5 HA TYR 5 7.423 -3.151 5.977 36 HB3 TYR 5 1HB TYR 5 9.092 -4.576 4.537 37 HD1 TYR 5 HD1 TYR 5 9.856 -0.942 4.255 38 HD2 TYR 5 HD2 TYR 5 7.273 -4.171 3.086 39 HE1 TYR 5 HE1 TYR 5 8.905 0.486 2.445 40 HE2 TYR 5 HE2 TYR 5 6.317 -2.740 1.257 41 HH TYR 5 HH TYR 5 7.520 0.577 0.620 42 H SER 6 H SER 6 6.729 -5.193 5.927 43 HA SER 6 HA SER 6 7.704 -6.851 8.194 44 HB3 SER 6 1HB SER 6 5.284 -7.492 8.364 45 HG SER 6 HG SER 6 4.666 -5.439 9.251 46 H ALA 7 H ALA 7 8.447 -8.842 7.721 47 HA ALA 7 HA ALA 7 7.940 -10.200 5.213 48 HB1 ALA 7 3HB ALA 7 9.082 -11.205 7.866 49 HB2 ALA 7 1HB ALA 7 9.168 -12.046 6.305 50 HB3 ALA 7 2HB ALA 7 10.006 -10.500 6.524 51 H GLU 8 H GLU 8 6.437 -10.322 8.417 52 HA GLU 8 HA GLU 8 4.960 -12.734 8.040 53 HB3 GLU 8 1HB GLU 8 5.760 -12.013 10.192 54 HG3 GLU 8 1HG GLU 8 3.751 -9.715 10.002 55 H ALA 9 H ALA 9 4.320 -10.898 5.905 56 HA ALA 9 HA ALA 9 1.758 -9.686 6.240 57 HB1 ALA 9 3HB ALA 9 3.193 -10.681 3.735 58 HB2 ALA 9 1HB ALA 9 1.753 -9.647 3.741 59 HB3 ALA 9 2HB ALA 9 3.265 -9.031 4.429 60 HA PRO 10 HA PRO 10 -1.090 -13.067 5.911 61 HB3 PRO 10 1HB PRO 10 -2.726 -11.490 6.288 62 HG3 PRO 10 1HG PRO 10 -2.699 -9.347 5.145 63 HD3 PRO 10 1HD PRO 10 -0.709 -9.638 6.390 64 H ALA 11 H ALA 11 -2.157 -14.517 4.475 65 HA ALA 11 HA ALA 11 -1.074 -14.696 1.731 66 HB1 ALA 11 3HB ALA 11 -3.001 -16.494 3.280 67 HB2 ALA 11 1HB ALA 11 -2.316 -16.838 1.680 68 HB3 ALA 11 2HB ALA 11 -1.244 -16.745 3.094 69 H ARG 12 H ARG 12 -2.391 -14.521 -0.130 70 HA ARG 12 HA ARG 12 -4.273 -12.456 -0.110 71 HB3 ARG 12 1HB ARG 12 -4.471 -14.288 -2.451 72 HG3 ARG 12 1HG ARG 12 -3.619 -12.267 -3.644 73 HD3 ARG 12 1HD ARG 12 -5.953 -11.666 -1.793 74 HE ARG 12 HE ARG 12 -4.726 -9.953 -3.682 75 HH11 ARG 12 1HH1 ARG 12 -7.972 -11.054 -2.826 76 HH12 ARG 12 2HH1 ARG 12 -8.725 -9.612 -3.421 77 HH21 ARG 12 1HH2 ARG 12 -5.752 -8.104 -4.412 78 HH22 ARG 12 2HH2 ARG 12 -7.486 -7.980 -4.341 79 H ASP 13 H ASP 13 -4.872 -15.887 0.294 80 HA ASP 13 HA ASP 13 -7.717 -15.864 -0.168 81 HB3 ASP 13 1HB ASP 13 -5.991 -17.684 1.545 82 H GLU 14 H GLU 14 -5.766 -15.421 2.829 83 HA GLU 14 HA GLU 14 -8.151 -15.168 4.508 84 HB3 GLU 14 1HB GLU 14 -5.320 -14.369 5.239 85 HG3 GLU 14 1HG GLU 14 -7.118 -13.825 6.889 86 H LEU 15 H LEU 15 -5.873 -13.023 2.894 87 HA LEU 15 HA LEU 15 -6.885 -10.511 3.868 88 HB3 LEU 15 1HB LEU 15 -5.155 -11.480 1.586 89 HG LEU 15 HG LEU 15 -6.050 -8.635 2.025 90 HD11 LEU 15 1HD1 LEU 15 -3.726 -8.548 2.706 91 HD12 LEU 15 2HD1 LEU 15 -3.865 -7.880 1.080 92 HD13 LEU 15 3HD1 LEU 15 -3.239 -9.520 1.308 93 HD21 LEU 15 3HD2 LEU 15 -4.963 -10.116 -0.410 94 HD22 LEU 15 1HD2 LEU 15 -5.773 -8.549 -0.400 95 HD23 LEU 15 2HD2 LEU 15 -6.695 -10.010 -0.045 96 H ASP 16 H ASP 16 -8.362 -12.789 1.675 97 HA ASP 16 HA ASP 16 -9.929 -10.792 0.218 98 HB3 ASP 16 1HB ASP 16 -10.498 -13.760 0.679 99 H ARG 17 H ARG 17 -10.076 -12.305 3.300 100 HA ARG 17 HA ARG 17 -12.985 -11.936 3.666 101 HB3 ARG 17 1HB ARG 17 -12.528 -13.257 5.743 102 HG3 ARG 17 1HG ARG 17 -11.264 -14.464 3.218 103 HD3 ARG 17 1HD ARG 17 -12.592 -16.466 4.077 104 HE ARG 17 HE ARG 17 -10.220 -16.041 5.823 105 HH11 ARG 17 1HH1 ARG 17 -11.369 -17.226 2.650 106 HH12 ARG 17 2HH1 ARG 17 -9.954 -18.242 2.478 107 HH21 ARG 17 1HH2 ARG 17 -8.550 -17.542 5.511 108 HH22 ARG 17 2HH2 ARG 17 -8.438 -18.366 3.947 109 H LEU 18 H LEU 18 -10.306 -10.021 4.256 110 HA LEU 18 HA LEU 18 -11.012 -8.768 6.723 111 HB3 LEU 18 1HB LEU 18 -8.837 -8.644 5.532 112 HG LEU 18 HG LEU 18 -9.678 -7.779 3.250 113 HD11 LEU 18 1HD1 LEU 18 -9.759 -5.170 4.818 114 HD12 LEU 18 2HD1 LEU 18 -11.062 -5.868 3.823 115 HD13 LEU 18 3HD1 LEU 18 -9.607 -5.252 3.053 116 HD21 LEU 18 3HD2 LEU 18 -7.590 -6.498 2.927 117 HD22 LEU 18 1HD2 LEU 18 -7.290 -7.909 3.954 118 HD23 LEU 18 2HD2 LEU 18 -7.426 -6.307 4.696 119 H ALA 19 H ALA 19 -11.701 -6.391 6.898 120 HA ALA 19 HA ALA 19 -13.929 -5.755 4.995 121 HB1 ALA 19 3HB ALA 19 -14.089 -5.756 8.034 122 HB2 ALA 19 1HB ALA 19 -15.374 -5.257 6.921 123 HB3 ALA 19 2HB ALA 19 -14.842 -6.953 6.945 124 H GLY 20 H GLY 20 -11.630 -4.380 7.365 125 HA2 GLY 20 1HA GLY 20 -12.670 -1.698 7.075 126 HA3 GLY 20 2HA GLY 20 -11.164 -2.153 7.893 127 HA PRO 21 HA PRO 21 -10.286 -0.069 3.692 128 HB3 PRO 21 1HB PRO 21 -11.223 2.006 4.098 129 HG3 PRO 21 1HG PRO 21 -11.536 2.810 6.312 130 HD3 PRO 21 1HD PRO 21 -12.557 0.677 6.300 131 H THR 22 H THR 22 -8.508 -1.173 3.322 132 HA THR 22 HA THR 22 -6.084 -0.866 5.079 133 HB THR 22 HB THR 22 -7.091 -3.415 3.742 134 HG1 THR 22 HG1 THR 22 -8.339 -2.869 5.505 135 HG21 THR 22 3HG2 THR 22 -4.764 -2.896 5.664 136 HG22 THR 22 1HG2 THR 22 -4.625 -3.377 3.958 137 HG23 THR 22 2HG2 THR 22 -5.336 -4.491 5.127 138 H LEU 23 H LEU 23 -4.502 0.069 3.935 139 HA LEU 23 HA LEU 23 -4.329 -0.307 1.026 140 HB3 LEU 23 1HB LEU 23 -2.580 1.280 2.945 141 HG LEU 23 HG LEU 23 -1.350 0.860 0.883 142 HD11 LEU 23 1HD1 LEU 23 -2.787 0.221 -0.763 143 HD12 LEU 23 2HD1 LEU 23 -2.547 1.886 -1.279 144 HD13 LEU 23 3HD1 LEU 23 -4.002 1.461 -0.382 145 HD21 LEU 23 3HD2 LEU 23 -2.549 3.619 0.860 146 HD22 LEU 23 1HD2 LEU 23 -1.034 3.116 0.072 147 HD23 LEU 23 2HD2 LEU 23 -1.164 3.050 1.837 148 H VAL 24 H VAL 24 -3.193 -1.908 0.144 149 HA VAL 24 HA VAL 24 -1.154 -3.343 1.786 150 HB VAL 24 HB VAL 24 -2.500 -4.353 -0.760 151 HG11 VAL 24 1HG1 VAL 24 -1.727 -6.557 0.011 152 HG12 VAL 24 2HG1 VAL 24 -0.345 -5.454 -0.089 153 HG13 VAL 24 3HG1 VAL 24 -1.054 -5.844 1.486 154 HG21 VAL 24 3HG2 VAL 24 -4.284 -3.998 0.906 155 HG22 VAL 24 1HG2 VAL 24 -3.987 -5.705 0.640 156 HG23 VAL 24 2HG2 VAL 24 -3.352 -4.924 2.105 157 H GLU 25 H GLU 25 0.817 -2.820 1.455 158 HA GLU 25 HA GLU 25 1.726 -1.529 -1.069 159 HB3 GLU 25 1HB GLU 25 2.329 -1.260 1.875 160 HG3 GLU 25 1HG GLU 25 4.571 -1.260 0.731 161 H PHE 26 H PHE 26 3.258 -2.506 -2.265 162 HA PHE 26 HA PHE 26 4.745 -4.846 -1.158 163 HB3 PHE 26 1HB PHE 26 4.878 -5.669 -3.378 164 HD1 PHE 26 HD2 PHE 26 3.072 -6.734 -1.623 165 HD2 PHE 26 HD1 PHE 26 2.144 -4.037 -4.846 166 HE1 PHE 26 HE2 PHE 26 0.669 -7.361 -1.469 167 HE2 PHE 26 HE1 PHE 26 -0.226 -4.734 -4.748 168 HZ PHE 26 HZ PHE 26 -0.984 -6.332 -2.994 169 H GLY 27 H GLY 27 6.819 -4.455 -0.660 170 HA2 GLY 27 1HA GLY 27 8.712 -3.181 -2.387 171 HA3 GLY 27 2HA GLY 27 8.191 -2.036 -1.193 172 H THR 28 H THR 28 10.466 -2.070 -0.564 173 HA THR 28 HA THR 28 10.967 -3.912 1.668 174 HB THR 28 HB THR 28 13.341 -4.249 1.000 175 HG1 THR 28 HG1 THR 28 13.799 -3.878 -1.237 176 HG21 THR 28 3HG2 THR 28 11.667 -6.034 0.558 177 HG22 THR 28 1HG2 THR 28 12.998 -6.028 -0.610 178 HG23 THR 28 2HG2 THR 28 11.422 -5.382 -1.064 179 H ASP 29 H ASP 29 13.159 -3.088 2.746 180 HA ASP 29 HA ASP 29 12.691 -0.226 3.284 181 HB3 ASP 29 1HB ASP 29 12.893 -1.782 5.153 182 H TRP 30 H TRP 30 14.468 -1.883 1.010 183 HA TRP 30 HA TRP 30 16.822 -0.037 1.107 184 HB3 TRP 30 1HB TRP 30 17.508 -2.107 1.899 185 HD1 TRP 30 HD TRP 30 16.186 -4.198 2.524 186 HE1 TRP 30 HE1 TRP 30 15.358 -6.307 1.294 187 HE3 TRP 30 HE3 TRP 30 17.135 -2.734 -2.281 188 HZ2 TRP 30 HZ2 TRP 30 15.047 -7.179 -1.430 189 HZ3 TRP 30 HZ3 TRP 30 16.537 -4.185 -4.171 190 HH2 TRP 30 HH TRP 30 15.485 -6.407 -3.783 191 H CYS 31 H CYS 31 14.302 -1.151 -1.098 192 HA CYS 31 HA CYS 31 15.755 -0.608 -3.523 193 HB2 CYS 31 1HB CYS 31 13.731 -1.925 -3.573 194 HB3 CYS 31 2HB CYS 31 12.780 -0.592 -2.903 195 H GLY 32 H GLY 32 15.877 1.238 -4.796 196 HA2 GLY 32 1HA GLY 32 15.876 3.833 -3.522 197 HA3 GLY 32 2HA GLY 32 16.182 3.494 -5.229 198 H HIS 33 H HIS 33 13.426 2.131 -5.469 199 HA HIS 33 HA HIS 33 11.729 4.508 -5.855 200 HB2 HIS 33 1HB HIS 33 11.107 1.521 -5.737 201 HB3 HIS 33 2HB HIS 33 9.933 2.785 -6.049 202 HD1 HIS 33 HD1 HIS 33 11.390 0.322 -7.995 203 HD2 HIS 33 HD2 HIS 33 10.948 4.479 -8.288 204 HE1 HIS 33 HE1 HIS 33 11.102 0.829 -10.478 205 H CYS 34 H CYS 34 11.986 1.882 -3.425 206 HA CYS 34 HA CYS 34 9.884 2.775 -1.693 207 HB3 CYS 34 1HB CYS 34 11.426 1.483 0.012 208 HG CYS 34 HG CYS 34 10.229 0.195 -2.855 209 H GLN 35 H GLN 35 13.332 3.770 -1.811 210 HA GLN 35 HA GLN 35 13.219 5.174 0.671 211 HB3 GLN 35 1HB GLN 35 15.171 6.474 -0.135 212 HG3 GLN 35 1HG GLN 35 16.741 4.799 -0.588 213 HE21 GLN 35 2HE2 GLN 35 14.812 2.090 -0.221 214 HE22 GLN 35 1HE2 GLN 35 15.053 1.908 1.529 215 H ALA 36 H ALA 36 11.951 5.998 -2.407 216 HA ALA 36 HA ALA 36 11.443 8.843 -1.741 217 HB1 ALA 36 3HB ALA 36 12.285 8.231 -3.993 218 HB2 ALA 36 1HB ALA 36 10.846 7.220 -4.261 219 HB3 ALA 36 2HB ALA 36 10.671 8.977 -4.068 220 H ALA 37 H ALA 37 9.638 5.792 -2.253 221 HA ALA 37 HA ALA 37 7.042 7.096 -1.988 222 HB1 ALA 37 3HB ALA 37 7.421 5.184 -3.489 223 HB2 ALA 37 1HB ALA 37 7.767 4.145 -2.082 224 HB3 ALA 37 2HB ALA 37 6.146 4.865 -2.288 225 H GLN 38 H GLN 38 9.198 5.349 0.241 226 HA GLN 38 HA GLN 38 7.302 4.821 2.296 227 HB3 GLN 38 1HB GLN 38 9.421 5.089 3.794 228 HG3 GLN 38 1HG GLN 38 9.307 3.064 1.511 229 HE21 GLN 38 2HE2 GLN 38 11.764 3.540 1.577 230 HE22 GLN 38 1HE2 GLN 38 12.705 2.596 2.744 231 HA PRO 39 HA PRO 39 8.063 9.062 4.311 232 HB3 PRO 39 1HB PRO 39 10.169 9.942 3.924 233 HG3 PRO 39 1HG PRO 39 11.228 9.714 1.802 234 HD3 PRO 39 1HD PRO 39 10.662 7.539 2.554 235 H LEU 40 H LEU 40 7.170 8.598 0.963 236 HA LEU 40 HA LEU 40 5.432 10.911 0.693 237 HB3 LEU 40 1HB LEU 40 4.754 8.420 -0.824 238 HG LEU 40 HG LEU 40 4.744 9.649 -2.723 239 HD11 LEU 40 1HD1 LEU 40 3.041 10.485 -0.952 240 HD12 LEU 40 2HD1 LEU 40 3.322 11.441 -2.398 241 HD13 LEU 40 3HD1 LEU 40 4.059 11.940 -0.861 242 HD21 LEU 40 3HD2 LEU 40 5.851 11.826 -3.066 243 HD22 LEU 40 1HD2 LEU 40 6.997 10.551 -2.624 244 HD23 LEU 40 2HD2 LEU 40 6.502 11.761 -1.411 245 H LEU 41 H LEU 41 4.872 7.420 1.251 246 HA LEU 41 HA LEU 41 2.102 7.619 1.824 247 HB3 LEU 41 1HB LEU 41 2.683 5.425 3.222 248 HG LEU 41 HG LEU 41 2.456 3.990 1.406 249 HD11 LEU 41 1HD1 LEU 41 0.483 5.408 1.823 250 HD12 LEU 41 2HD1 LEU 41 0.572 4.784 0.169 251 HD13 LEU 41 3HD1 LEU 41 0.981 6.469 0.494 252 HD21 LEU 41 3HD2 LEU 41 4.276 4.622 0.031 253 HD22 LEU 41 1HD2 LEU 41 3.561 6.190 -0.347 254 HD23 LEU 41 2HD2 LEU 41 2.813 4.695 -0.961 255 H ALA 42 H ALA 42 4.926 7.748 3.947 256 HA ALA 42 HA ALA 42 3.589 7.936 6.445 257 HB1 ALA 42 3HB ALA 42 6.008 7.559 6.183 258 HB2 ALA 42 1HB ALA 42 6.195 9.225 5.577 259 HB3 ALA 42 2HB ALA 42 5.670 8.941 7.249 260 H GLU 43 H GLU 43 4.300 10.527 4.099 261 HA GLU 43 HA GLU 43 3.330 12.662 5.815 262 HB3 GLU 43 1HB GLU 43 3.276 13.944 3.583 263 HG3 GLU 43 1HG GLU 43 5.829 13.803 3.344 264 H VAL 44 H VAL 44 1.838 10.901 3.014 265 HA VAL 44 HA VAL 44 -0.660 12.306 3.256 266 HB VAL 44 HB VAL 44 -0.274 11.320 1.207 267 HG11 VAL 44 1HG1 VAL 44 -0.188 8.541 2.392 268 HG12 VAL 44 2HG1 VAL 44 -0.138 9.019 0.674 269 HG13 VAL 44 3HG1 VAL 44 1.170 9.483 1.732 270 HG21 VAL 44 3HG2 VAL 44 -2.400 9.570 2.492 271 HG22 VAL 44 1HG2 VAL 44 -2.646 11.261 2.014 272 HG23 VAL 44 2HG2 VAL 44 -2.263 10.045 0.779 273 H PHE 45 H PHE 45 0.264 9.077 4.564 274 HA PHE 45 HA PHE 45 -2.209 8.436 5.770 275 HB3 PHE 45 1HB PHE 45 -0.410 7.302 7.519 276 HD1 PHE 45 HD1 PHE 45 -2.727 6.161 7.142 277 HD2 PHE 45 HD2 PHE 45 0.635 5.808 4.449 278 HE1 PHE 45 HE1 PHE 45 -3.553 3.975 6.348 279 HE2 PHE 45 HE2 PHE 45 -0.181 3.614 3.721 280 HZ PHE 45 HZ PHE 45 -2.326 2.710 4.620 281 H SER 46 H SER 46 0.168 10.749 6.951 282 HA SER 46 HA SER 46 -0.653 10.825 9.695 283 HB3 SER 46 1HB SER 46 0.343 13.127 9.646 284 HG SER 46 HG SER 46 2.011 11.198 8.347 285 H ASP 47 H ASP 47 -2.308 12.005 6.824 286 HA ASP 47 HA ASP 47 -4.210 13.586 8.498 287 HB3 ASP 47 1HB ASP 47 -4.080 13.377 5.467 288 H TYR 48 H TYR 48 -3.866 10.455 7.324 289 HA TYR 48 HA TYR 48 -6.810 9.939 7.501 290 HB3 TYR 48 1HB TYR 48 -6.725 8.381 5.675 291 HD1 TYR 48 HD2 TYR 48 -8.263 10.394 5.166 292 HD2 TYR 48 HD1 TYR 48 -4.069 10.317 4.193 293 HE1 TYR 48 HE2 TYR 48 -8.593 12.295 3.608 294 HE2 TYR 48 HE1 TYR 48 -4.361 12.351 2.796 295 HH TYR 48 HH TYR 48 -5.834 13.885 1.938 296 HA PRO 49 HA PRO 49 -4.034 7.125 10.173 297 HB3 PRO 49 1HB PRO 49 -3.649 8.662 11.838 298 HG3 PRO 49 1HG PRO 49 -5.211 10.404 12.307 299 HD3 PRO 49 1HD PRO 49 -4.650 10.528 10.017 300 H GLU 50 H GLU 50 -7.519 7.552 9.855 301 HA GLU 50 HA GLU 50 -8.221 5.094 11.227 302 HB3 GLU 50 1HB GLU 50 -9.844 6.866 11.062 303 HG3 GLU 50 1HG GLU 50 -11.130 6.804 8.809 304 H VAL 51 H VAL 51 -6.710 5.666 8.185 305 HA VAL 51 HA VAL 51 -7.673 3.149 6.954 306 HB VAL 51 HB VAL 51 -5.501 5.064 6.030 307 HG11 VAL 51 1HG1 VAL 51 -6.888 2.761 4.562 308 HG12 VAL 51 2HG1 VAL 51 -5.776 3.937 3.819 309 HG13 VAL 51 3HG1 VAL 51 -5.171 2.831 5.037 310 HG21 VAL 51 3HG2 VAL 51 -8.405 4.790 5.124 311 HG22 VAL 51 1HG2 VAL 51 -7.676 6.175 5.973 312 HG23 VAL 51 2HG2 VAL 51 -7.169 5.787 4.333 313 H GLY 52 H GLY 52 -6.503 1.256 6.950 314 HA2 GLY 52 1HA GLY 52 -4.151 0.998 8.776 315 HA3 GLY 52 2HA GLY 52 -5.095 -0.322 8.044 316 H HIS 53 H HIS 53 -2.170 -0.017 8.072 317 HA HIS 53 HA HIS 53 -1.729 -0.082 5.113 318 HB2 HIS 53 1HB HIS 53 -0.735 1.945 6.461 319 HB3 HIS 53 2HB HIS 53 0.395 0.776 7.104 320 HD1 HIS 53 HD1 HIS 53 2.280 2.315 5.836 321 HD2 HIS 53 HD2 HIS 53 -0.499 0.376 3.350 322 HE1 HIS 53 HE1 HIS 53 3.170 2.488 3.436 323 H LEU 54 H LEU 54 -0.805 -1.927 4.377 324 HA LEU 54 HA LEU 54 0.713 -3.632 6.303 325 HB3 LEU 54 1HB LEU 54 -0.658 -4.733 3.824 326 HG LEU 54 HG LEU 54 -0.735 -6.800 4.929 327 HD11 LEU 54 1HD1 LEU 54 1.512 -7.419 5.559 328 HD12 LEU 54 2HD1 LEU 54 1.948 -5.741 5.942 329 HD13 LEU 54 3HD1 LEU 54 1.616 -6.213 4.260 330 HD21 LEU 54 3HD2 LEU 54 -0.291 -7.172 7.311 331 HD22 LEU 54 1HD2 LEU 54 -1.605 -6.008 7.090 332 HD23 LEU 54 2HD2 LEU 54 0.011 -5.439 7.552 333 H LYS 55 H LYS 55 2.701 -2.880 5.949 334 HA LYS 55 HA LYS 55 3.885 -2.521 3.285 335 HB3 LYS 55 1HB LYS 55 5.978 -2.457 4.840 336 HG3 LYS 55 1HG LYS 55 3.889 -0.347 4.741 337 HD3 LYS 55 1HD LYS 55 5.633 1.244 5.416 338 HE3 LYS 55 1HE LYS 55 5.400 -0.795 7.674 339 HZ1 LYS 55 3HZ LYS 55 5.294 1.232 9.013 340 HZ2 LYS 55 1HZ LYS 55 5.270 2.184 7.685 341 HZ3 LYS 55 2HZ LYS 55 6.618 1.340 8.055 342 H VAL 56 H VAL 56 3.582 -4.506 2.237 343 HA VAL 56 HA VAL 56 4.571 -7.045 3.383 344 HB VAL 56 HB VAL 56 3.906 -6.402 0.464 345 HG11 VAL 56 1HG1 VAL 56 4.171 -9.040 1.963 346 HG12 VAL 56 2HG1 VAL 56 3.567 -8.875 0.304 347 HG13 VAL 56 3HG1 VAL 56 5.231 -8.430 0.672 348 HG21 VAL 56 3HG2 VAL 56 1.722 -7.352 0.775 349 HG22 VAL 56 1HG2 VAL 56 2.027 -7.644 2.505 350 HG23 VAL 56 2HG2 VAL 56 1.883 -5.988 1.868 351 H GLU 57 H GLU 57 6.553 -7.513 3.610 352 HA GLU 57 HA GLU 57 8.663 -6.309 2.023 353 HB3 GLU 57 1HB GLU 57 8.959 -8.866 3.622 354 HG3 GLU 57 1HG GLU 57 10.638 -6.379 3.206 355 H ASP 58 H ASP 58 8.519 -6.613 -0.061 356 HA ASP 58 HA ASP 58 7.683 -9.191 -1.250 357 HB3 ASP 58 1HB ASP 58 7.903 -6.549 -2.701 358 H GLY 59 H GLY 59 8.788 -9.023 -3.802 359 HA2 GLY 59 1HA GLY 59 11.745 -9.029 -3.460 360 HA3 GLY 59 2HA GLY 59 10.975 -10.568 -3.814 361 HA PRO 60 HA PRO 60 12.051 -8.021 -7.669 362 HB3 PRO 60 1HB PRO 60 14.335 -8.287 -7.520 363 HG3 PRO 60 1HG PRO 60 15.291 -10.168 -6.401 364 HD3 PRO 60 1HD PRO 60 13.777 -9.159 -4.887 365 H GLY 61 H GLY 61 11.585 -11.554 -7.294 366 HA2 GLY 61 1HA GLY 61 10.384 -11.862 -9.977 367 HA3 GLY 61 2HA GLY 61 10.519 -13.092 -8.702 368 H ARG 62 H ARG 62 9.297 -10.373 -7.313 369 HA ARG 62 HA ARG 62 7.393 -9.605 -6.503 370 HB3 ARG 62 1HB ARG 62 5.273 -9.785 -7.634 371 HG3 ARG 62 1HG ARG 62 7.487 -9.362 -9.678 372 HD3 ARG 62 1HD ARG 62 4.730 -8.114 -9.345 373 HE ARG 62 HE ARG 62 5.779 -6.443 -10.556 374 HH11 ARG 62 1HH1 ARG 62 6.780 -9.536 -12.007 375 HH12 ARG 62 2HH1 ARG 62 7.512 -8.732 -13.360 376 HH21 ARG 62 1HH2 ARG 62 6.709 -5.533 -12.259 377 HH22 ARG 62 2HH2 ARG 62 7.460 -6.471 -13.528 378 H ARG 63 H ARG 63 6.522 -10.135 -4.673 379 HA ARG 63 HA ARG 63 5.918 -12.972 -3.981 380 HB3 ARG 63 1HB ARG 63 6.129 -10.580 -2.128 381 HG3 ARG 63 1HG ARG 63 6.487 -13.552 -1.553 382 HD3 ARG 63 1HD ARG 63 6.282 -11.043 0.164 383 HE ARG 63 HE ARG 63 5.869 -13.834 0.888 384 HH11 ARG 63 1HH1 ARG 63 7.029 -10.724 2.167 385 HH12 ARG 63 2HH1 ARG 63 6.524 -11.158 3.797 386 HH21 ARG 63 1HH2 ARG 63 5.340 -14.280 3.072 387 HH22 ARG 63 2HH2 ARG 63 5.683 -13.075 4.287 388 H LEU 64 H LEU 64 4.142 -10.632 -2.112 389 HA LEU 64 HA LEU 64 1.625 -11.751 -2.974 390 HB3 LEU 64 1HB LEU 64 2.060 -9.236 -1.343 391 HG LEU 64 HG LEU 64 -0.305 -9.713 -1.860 392 HD11 LEU 64 1HD1 LEU 64 -1.391 -11.779 -0.875 393 HD12 LEU 64 2HD1 LEU 64 0.238 -12.438 -0.586 394 HD13 LEU 64 3HD1 LEU 64 -0.340 -12.135 -2.241 395 HD21 LEU 64 3HD2 LEU 64 0.523 -10.299 1.010 396 HD22 LEU 64 1HD2 LEU 64 -1.127 -9.931 0.500 397 HD23 LEU 64 2HD2 LEU 64 0.128 -8.724 0.293 398 H GLY 65 H GLY 65 3.386 -8.798 -3.981 399 HA2 GLY 65 1HA GLY 65 1.343 -7.622 -5.555 400 HA3 GLY 65 2HA GLY 65 3.082 -7.504 -5.878 401 H ARG 66 H ARG 66 3.131 -10.561 -6.227 402 HA ARG 66 HA ARG 66 2.568 -10.763 -9.056 403 HB3 ARG 66 1HB ARG 66 2.894 -13.047 -7.067 404 HG3 ARG 66 1HG ARG 66 3.665 -12.744 -10.000 405 HD3 ARG 66 1HD ARG 66 4.117 -15.033 -8.040 406 HE ARG 66 HE ARG 66 3.799 -15.919 -10.273 407 HH11 ARG 66 1HH1 ARG 66 6.795 -13.999 -9.994 408 HH12 ARG 66 2HH1 ARG 66 7.488 -14.771 -11.382 409 HH21 ARG 66 1HH2 ARG 66 4.775 -16.841 -12.036 410 HH22 ARG 66 2HH2 ARG 66 6.367 -16.341 -12.522 411 H SER 67 H SER 67 0.867 -11.909 -6.096 412 HA SER 67 HA SER 67 -1.285 -13.211 -7.499 413 HB3 SER 67 1HB SER 67 -2.260 -13.475 -5.300 414 HG SER 67 HG SER 67 -0.408 -14.771 -5.537 415 H PHE 68 H PHE 68 -0.735 -9.932 -6.320 416 HA PHE 68 HA PHE 68 -3.426 -8.943 -6.816 417 HB3 PHE 68 1HB PHE 68 -2.026 -6.721 -6.569 418 HD1 PHE 68 HD2 PHE 68 -1.489 -9.360 -3.970 419 HD2 PHE 68 HD1 PHE 68 -3.871 -6.065 -5.327 420 HE1 PHE 68 HE2 PHE 68 -2.452 -9.184 -1.718 421 HE2 PHE 68 HE1 PHE 68 -4.888 -5.870 -3.051 422 HZ PHE 68 HZ PHE 68 -4.137 -7.388 -1.232 423 H GLN 69 H GLN 69 -0.944 -9.842 -8.901 424 HA GLN 69 HA GLN 69 -0.542 -9.620 -11.114 425 HB3 GLN 69 1HB GLN 69 -2.279 -8.995 -12.622 426 HG3 GLN 69 1HG GLN 69 -2.777 -11.000 -10.699 427 HE21 GLN 69 2HE2 GLN 69 -4.044 -10.548 -8.771 428 HE22 GLN 69 1HE2 GLN 69 -5.682 -9.950 -8.868 429 H VAL 70 H VAL 70 0.595 -7.689 -9.354 430 HA VAL 70 HA VAL 70 0.259 -4.997 -10.319 431 HB VAL 70 HB VAL 70 2.371 -6.331 -8.606 432 HG11 VAL 70 1HG1 VAL 70 3.500 -4.423 -9.628 433 HG12 VAL 70 2HG1 VAL 70 2.129 -3.357 -9.241 434 HG13 VAL 70 3HG1 VAL 70 3.128 -4.063 -7.945 435 HG21 VAL 70 3HG2 VAL 70 0.079 -6.103 -7.634 436 HG22 VAL 70 1HG2 VAL 70 1.264 -5.123 -6.793 437 HG23 VAL 70 2HG2 VAL 70 0.139 -4.350 -7.916 438 H LYS 71 H LYS 71 1.060 -4.012 -12.016 439 HA LYS 71 HA LYS 71 2.652 -5.400 -14.017 440 HB3 LYS 71 1HB LYS 71 2.511 -2.824 -14.905 441 HG3 LYS 71 1HG LYS 71 1.549 -4.710 -16.071 442 HD3 LYS 71 1HD LYS 71 0.235 -5.821 -14.315 443 HE3 LYS 71 1HE LYS 71 -0.724 -3.685 -13.321 444 HZ1 LYS 71 3HZ LYS 71 -2.626 -3.967 -15.584 445 HZ2 LYS 71 1HZ LYS 71 -1.625 -2.679 -15.344 446 HZ3 LYS 71 2HZ LYS 71 -2.858 -2.981 -14.306 447 H LEU 72 H LEU 72 3.326 -2.639 -11.882 448 HA LEU 72 HA LEU 72 6.175 -2.551 -12.737 449 HB3 LEU 72 1HB LEU 72 4.709 -0.751 -10.760 450 HG LEU 72 HG LEU 72 7.291 -0.554 -11.030 451 HD11 LEU 72 1HD1 LEU 72 7.452 -0.932 -13.465 452 HD12 LEU 72 2HD1 LEU 72 8.075 0.670 -13.026 453 HD13 LEU 72 3HD1 LEU 72 6.462 0.521 -13.756 454 HD21 LEU 72 3HD2 LEU 72 5.624 1.863 -11.833 455 HD22 LEU 72 1HD2 LEU 72 7.212 1.878 -11.020 456 HD23 LEU 72 2HD2 LEU 72 5.783 1.260 -10.169 457 H TRP 73 H TRP 73 6.404 -1.530 -9.696 458 HA TRP 73 HA TRP 73 5.922 -3.990 -8.203 459 HB3 TRP 73 1HB TRP 73 8.712 -2.842 -8.319 460 HD1 TRP 73 HD TRP 73 7.168 -6.274 -7.342 461 HE1 TRP 73 HE1 TRP 73 8.172 -7.029 -5.120 462 HE3 TRP 73 HE3 TRP 73 9.891 -2.104 -6.319 463 HZ2 TRP 73 HZ2 TRP 73 10.167 -6.004 -3.233 464 HZ3 TRP 73 HZ3 TRP 73 11.308 -1.988 -4.273 465 HH2 TRP 73 HH TRP 73 11.489 -3.931 -2.761 466 HA PRO 74 HA PRO 74 6.533 -0.462 -5.112 467 HB3 PRO 74 1HB PRO 74 8.319 0.949 -5.584 468 HG3 PRO 74 1HG PRO 74 8.738 1.662 -7.855 469 HD3 PRO 74 1HD PRO 74 8.810 -0.695 -7.728 470 H THR 75 H THR 75 4.366 -0.846 -4.971 471 HA THR 75 HA THR 75 2.327 0.880 -6.221 472 HB THR 75 HB THR 75 2.706 -2.084 -6.878 473 HG1 THR 75 HG1 THR 75 3.550 0.005 -8.060 474 HG21 THR 75 3HG2 THR 75 0.615 -1.840 -8.248 475 HG22 THR 75 1HG2 THR 75 0.306 -0.302 -7.420 476 HG23 THR 75 2HG2 THR 75 0.332 -1.832 -6.509 477 H PHE 76 H PHE 76 0.593 0.956 -5.000 478 HA PHE 76 HA PHE 76 0.248 -1.030 -2.830 479 HB3 PHE 76 1HB PHE 76 1.140 0.580 -1.477 480 HD1 PHE 76 HD1 PHE 76 2.868 1.705 -2.900 481 HD2 PHE 76 HD2 PHE 76 -1.138 3.210 -2.416 482 HE1 PHE 76 HE1 PHE 76 3.617 3.895 -3.746 483 HE2 PHE 76 HE2 PHE 76 -0.381 5.410 -3.216 484 HZ PHE 76 HZ PHE 76 1.957 5.746 -3.971 485 H VAL 77 H VAL 77 -1.638 -1.783 -2.651 486 HA VAL 77 HA VAL 77 -3.825 -0.797 -4.410 487 HB VAL 77 HB VAL 77 -3.397 -3.563 -3.235 488 HG11 VAL 77 1HG1 VAL 77 -5.140 -4.289 -4.800 489 HG12 VAL 77 2HG1 VAL 77 -5.778 -2.977 -3.817 490 HG13 VAL 77 3HG1 VAL 77 -5.277 -2.668 -5.473 491 HG21 VAL 77 3HG2 VAL 77 -2.819 -2.530 -6.052 492 HG22 VAL 77 1HG2 VAL 77 -1.608 -2.998 -4.864 493 HG23 VAL 77 2HG2 VAL 77 -2.688 -4.221 -5.545 494 H PHE 78 H PHE 78 -5.597 -0.010 -3.576 495 HA PHE 78 HA PHE 78 -5.922 0.085 -0.622 496 HB3 PHE 78 1HB PHE 78 -7.721 1.730 -1.133 497 HD1 PHE 78 HD2 PHE 78 -5.008 2.159 -3.684 498 HD2 PHE 78 HD1 PHE 78 -6.495 3.375 0.168 499 HE1 PHE 78 HE2 PHE 78 -3.201 3.842 -3.514 500 HE2 PHE 78 HE1 PHE 78 -4.740 5.129 0.281 501 HZ PHE 78 HZ PHE 78 -3.111 5.365 -1.600 502 H LEU 79 H LEU 79 -7.034 -1.511 0.299 503 HA LEU 79 HA LEU 79 -9.258 -2.863 -1.150 504 HB3 LEU 79 1HB LEU 79 -8.844 -4.418 1.004 505 HG LEU 79 HG LEU 79 -8.924 -5.162 -1.310 506 HD11 LEU 79 1HD1 LEU 79 -7.246 -3.665 -2.316 507 HD12 LEU 79 2HD1 LEU 79 -6.950 -5.356 -2.681 508 HD13 LEU 79 3HD1 LEU 79 -5.964 -4.516 -1.439 509 HD21 LEU 79 3HD2 LEU 79 -7.491 -7.127 -1.011 510 HD22 LEU 79 1HD2 LEU 79 -8.330 -6.709 0.487 511 HD23 LEU 79 2HD2 LEU 79 -6.606 -6.288 0.290 512 H ARG 80 H ARG 80 -11.203 -3.168 -0.059 513 HA ARG 80 HA ARG 80 -11.784 -2.299 2.641 514 HB3 ARG 80 1HB ARG 80 -13.092 -0.673 0.429 515 HG3 ARG 80 1HG ARG 80 -12.807 -0.171 3.419 516 HD3 ARG 80 1HD ARG 80 -12.818 1.861 1.954 517 HE ARG 80 HE ARG 80 -15.421 0.701 1.083 518 HH11 ARG 80 1HH1 ARG 80 -13.278 3.558 0.811 519 HH12 ARG 80 2HH1 ARG 80 -14.174 4.141 -0.555 520 HH21 ARG 80 1HH2 ARG 80 -16.457 1.546 -0.661 521 HH22 ARG 80 2HH2 ARG 80 -15.946 3.047 -1.359 522 H ASP 81 H ASP 81 -13.642 -3.305 3.308 523 HA ASP 81 HA ASP 81 -15.268 -4.860 3.371 524 HB3 ASP 81 1HB ASP 81 -16.062 -4.064 0.559 525 H GLY 82 H GLY 82 -12.613 -5.604 2.333 526 HA2 GLY 82 1HA GLY 82 -11.553 -7.583 1.799 527 HA3 GLY 82 2HA GLY 82 -13.124 -8.314 1.399 528 H ARG 83 H ARG 83 -13.213 -5.634 -0.471 529 HA ARG 83 HA ARG 83 -12.082 -7.021 -2.827 530 HB3 ARG 83 1HB ARG 83 -13.920 -4.633 -2.932 531 HG3 ARG 83 1HG ARG 83 -14.090 -7.193 -4.544 532 HD3 ARG 83 1HD ARG 83 -15.838 -5.325 -4.706 533 HE ARG 83 HE ARG 83 -13.427 -3.824 -5.450 534 HH11 ARG 83 1HH1 ARG 83 -16.923 -3.839 -6.066 535 HH12 ARG 83 2HH1 ARG 83 -16.914 -2.161 -6.498 536 HH21 ARG 83 1HH2 ARG 83 -13.469 -1.777 -5.992 537 HH22 ARG 83 2HH2 ARG 83 -14.943 -0.980 -6.481 538 H GLU 84 H GLU 84 -10.842 -5.794 -4.295 539 HA GLU 84 HA GLU 84 -9.270 -3.515 -3.324 540 HB3 GLU 84 1HB GLU 84 -9.531 -4.871 -6.018 541 HG3 GLU 84 1HG GLU 84 -7.837 -2.441 -5.320 542 H VAL 85 H VAL 85 -9.903 -1.480 -3.303 543 HA VAL 85 HA VAL 85 -12.323 -0.602 -4.855 544 HB VAL 85 HB VAL 85 -12.263 1.418 -3.385 545 HG11 VAL 85 1HG1 VAL 85 -12.627 -1.242 -1.954 546 HG12 VAL 85 2HG1 VAL 85 -13.401 0.311 -1.562 547 HG13 VAL 85 3HG1 VAL 85 -13.803 -0.506 -3.073 548 HG21 VAL 85 3HG2 VAL 85 -11.064 1.408 -1.287 549 HG22 VAL 85 1HG2 VAL 85 -10.422 -0.200 -1.565 550 HG23 VAL 85 2HG2 VAL 85 -9.856 1.152 -2.567 551 H ALA 86 H ALA 86 -8.879 -0.174 -4.619 552 HA ALA 86 HA ALA 86 -8.669 1.140 -7.158 553 HB1 ALA 86 3HB ALA 86 -7.713 3.296 -6.308 554 HB2 ALA 86 1HB ALA 86 -9.395 3.130 -5.819 555 HB3 ALA 86 2HB ALA 86 -8.084 2.792 -4.655 556 H ARG 87 H ARG 87 -6.276 1.971 -7.384 557 HA ARG 87 HA ARG 87 -4.423 1.163 -5.361 558 HB3 ARG 87 1HB ARG 87 -4.575 -0.965 -6.508 559 HG3 ARG 87 1HG ARG 87 -3.543 0.527 -8.950 560 HD3 ARG 87 1HD ARG 87 -2.411 -1.616 -8.269 561 HE ARG 87 HE ARG 87 -5.110 -2.659 -8.317 562 HH11 ARG 87 1HH1 ARG 87 -1.879 -3.665 -9.446 563 HH12 ARG 87 2HH1 ARG 87 -2.303 -5.357 -9.302 564 HH21 ARG 87 1HH2 ARG 87 -5.498 -4.846 -8.101 565 HH22 ARG 87 2HH2 ARG 87 -4.252 -6.003 -8.582 566 H VAL 88 H VAL 88 -2.359 2.079 -5.641 567 HA VAL 88 HA VAL 88 -2.147 4.177 -7.811 568 HB VAL 88 HB VAL 88 -1.316 4.269 -4.932 569 HG11 VAL 88 1HG1 VAL 88 -0.644 6.281 -7.140 570 HG12 VAL 88 2HG1 VAL 88 -0.363 6.573 -5.414 571 HG13 VAL 88 3HG1 VAL 88 0.526 5.302 -6.235 572 HG21 VAL 88 3HG2 VAL 88 -3.686 4.931 -5.386 573 HG22 VAL 88 1HG2 VAL 88 -2.706 6.168 -4.598 574 HG23 VAL 88 2HG2 VAL 88 -3.055 6.285 -6.347 575 H VAL 89 H VAL 89 -0.418 3.993 -9.057 576 HA VAL 89 HA VAL 89 1.784 2.070 -8.356 577 HB VAL 89 HB VAL 89 0.678 2.909 -11.076 578 HG11 VAL 89 1HG1 VAL 89 2.249 1.167 -12.007 579 HG12 VAL 89 2HG1 VAL 89 3.065 2.578 -11.339 580 HG13 VAL 89 3HG1 VAL 89 3.020 1.073 -10.403 581 HG21 VAL 89 3HG2 VAL 89 -0.768 1.256 -9.900 582 HG22 VAL 89 1HG2 VAL 89 0.005 0.583 -11.341 583 HG23 VAL 89 2HG2 VAL 89 0.628 0.181 -9.740 584 H ARG 90 H ARG 90 3.757 2.908 -8.178 585 HA ARG 90 HA ARG 90 5.485 4.313 -8.065 586 HB3 ARG 90 1HB ARG 90 4.889 5.328 -10.847 587 HG3 ARG 90 1HG ARG 90 7.318 4.111 -9.455 588 HD3 ARG 90 1HD ARG 90 7.239 5.760 -12.007 589 HE ARG 90 HE ARG 90 9.351 3.995 -10.761 590 HH11 ARG 90 1HH1 ARG 90 8.666 6.727 -12.941 591 HH12 ARG 90 2HH1 ARG 90 10.360 7.052 -13.160 592 HH21 ARG 90 1HH2 ARG 90 11.414 4.458 -11.083 593 HH22 ARG 90 2HH2 ARG 90 11.917 5.784 -12.113 594 HA PRO 91 HA PRO 91 2.794 8.007 -6.882 595 HB3 PRO 91 1HB PRO 91 2.828 7.566 -4.690 596 HG3 PRO 91 1HG PRO 91 4.509 6.156 -3.759 597 HD3 PRO 91 1HD PRO 91 3.811 4.981 -5.724 598 H GLY 92 H GLY 92 3.112 9.916 -7.874 599 HA2 GLY 92 1HA GLY 92 5.796 10.846 -8.626 600 HA3 GLY 92 2HA GLY 92 4.236 11.547 -9.115 601 H SER 93 H SER 93 3.268 11.821 -6.332 602 HA SER 93 HA SER 93 4.942 13.661 -4.867 603 HB3 SER 93 1HB SER 93 4.437 15.096 -6.811 604 HG SER 93 HG SER 93 1.986 15.629 -6.809 605 H ALA 94 H ALA 94 3.752 14.529 -2.966 606 HA ALA 94 HA ALA 94 1.709 12.856 -1.898 607 HB1 ALA 94 3HB ALA 94 3.251 14.275 -0.543 608 HB2 ALA 94 1HB ALA 94 2.422 15.730 -1.160 609 HB3 ALA 94 2HB ALA 94 1.550 14.561 -0.158 610 H SER 95 H SER 95 1.428 15.780 -3.936 611 HA SER 95 HA SER 95 -1.404 16.070 -3.609 612 HB3 SER 95 1HB SER 95 -0.199 17.890 -4.479 613 HG SER 95 HG SER 95 0.901 17.779 -6.498 614 H VAL 96 H VAL 96 0.383 13.681 -5.471 615 HA VAL 96 HA VAL 96 -2.090 12.762 -6.858 616 HB VAL 96 HB VAL 96 0.792 11.799 -6.922 617 HG11 VAL 96 1HG1 VAL 96 -1.607 10.608 -8.373 618 HG12 VAL 96 2HG1 VAL 96 0.099 10.241 -8.733 619 HG13 VAL 96 3HG1 VAL 96 -0.582 9.800 -7.170 620 HG21 VAL 96 3HG2 VAL 96 -0.996 13.000 -9.102 621 HG22 VAL 96 1HG2 VAL 96 0.266 13.892 -8.240 622 HG23 VAL 96 2HG2 VAL 96 0.700 12.535 -9.289 623 H LEU 97 H LEU 97 0.139 11.679 -4.237 624 HA LEU 97 HA LEU 97 -1.294 9.216 -3.813 625 HB3 LEU 97 1HB LEU 97 0.168 10.213 -1.469 626 HG LEU 97 HG LEU 97 0.780 7.992 -3.520 627 HD11 LEU 97 1HD1 LEU 97 2.160 6.996 -1.788 628 HD12 LEU 97 2HD1 LEU 97 1.910 8.396 -0.728 629 HD13 LEU 97 3HD1 LEU 97 2.766 8.567 -2.286 630 HD21 LEU 97 3HD2 LEU 97 -0.134 6.603 -1.464 631 HD22 LEU 97 1HD2 LEU 97 -1.291 7.375 -2.574 632 HD23 LEU 97 2HD2 LEU 97 -0.914 8.110 -1.027 633 H GLU 98 H GLU 98 -1.389 12.295 -1.950 634 HA GLU 98 HA GLU 98 -3.461 11.627 -0.160 635 HB3 GLU 98 1HB GLU 98 -3.896 14.079 -0.073 636 HG3 GLU 98 1HG GLU 98 -0.907 13.450 -0.025 637 H GLU 99 H GLU 99 -3.703 12.827 -3.528 638 HA GLU 99 HA GLU 99 -6.502 13.303 -3.607 639 HB3 GLU 99 1HB GLU 99 -4.472 12.501 -5.719 640 HG3 GLU 99 1HG GLU 99 -7.386 13.155 -6.081 641 H ALA 100 H ALA 100 -4.674 10.283 -4.023 642 HA ALA 100 HA ALA 100 -7.098 8.731 -4.625 643 HB1 ALA 100 3HB ALA 100 -4.909 8.099 -5.530 644 HB2 ALA 100 1HB ALA 100 -4.255 7.905 -3.888 645 HB3 ALA 100 2HB ALA 100 -5.541 6.811 -4.477 646 H PHE 101 H PHE 101 -5.039 9.310 -1.716 647 HA PHE 101 HA PHE 101 -6.335 7.440 -0.032 648 HB3 PHE 101 1HB PHE 101 -5.659 9.410 1.692 649 HD1 PHE 101 HD2 PHE 101 -3.203 7.722 -0.728 650 HD2 PHE 101 HD1 PHE 101 -4.952 7.835 3.229 651 HE1 PHE 101 HE2 PHE 101 -1.601 6.054 0.047 652 HE2 PHE 101 HE1 PHE 101 -3.322 6.129 3.978 653 HZ PHE 101 HZ PHE 101 -1.612 5.261 2.356 654 H GLU 102 H GLU 102 -7.103 10.952 -0.443 655 HA GLU 102 HA GLU 102 -9.358 10.957 1.272 656 HB3 GLU 102 1HB GLU 102 -8.413 13.028 0.550 657 HG3 GLU 102 1HG GLU 102 -8.234 12.098 -2.012 658 H SER 103 H SER 103 -9.094 10.009 -2.140 659 HA SER 103 HA SER 103 -11.938 9.810 -2.549 660 HB3 SER 103 1HB SER 103 -10.937 8.320 -4.545 661 HG SER 103 HG SER 103 -10.663 11.160 -4.178 662 H LEU 104 H LEU 104 -9.576 7.574 -1.177 663 HA LEU 104 HA LEU 104 -11.601 5.365 -1.271 664 HB3 LEU 104 1HB LEU 104 -9.603 3.976 -0.526 665 HG LEU 104 HG LEU 104 -8.783 3.514 -2.590 666 HD11 LEU 104 1HD1 LEU 104 -11.364 4.847 -3.465 667 HD12 LEU 104 2HD1 LEU 104 -11.349 3.411 -2.416 668 HD13 LEU 104 3HD1 LEU 104 -10.651 3.343 -4.031 669 HD21 LEU 104 3HD2 LEU 104 -9.346 6.342 -3.553 670 HD22 LEU 104 1HD2 LEU 104 -8.776 5.041 -4.569 671 HD23 LEU 104 2HD2 LEU 104 -7.751 5.587 -3.246 672 H VAL 105 H VAL 105 -10.004 7.456 1.025 673 HA VAL 105 HA VAL 105 -10.946 6.051 3.349 674 HB VAL 105 HB VAL 105 -9.159 7.980 3.135 675 HG11 VAL 105 1HG1 VAL 105 -9.905 10.203 3.662 676 HG12 VAL 105 2HG1 VAL 105 -10.817 9.675 2.264 677 HG13 VAL 105 3HG1 VAL 105 -11.569 9.678 3.866 678 HG21 VAL 105 3HG2 VAL 105 -9.858 6.753 5.205 679 HG22 VAL 105 1HG2 VAL 105 -9.250 8.399 5.430 680 HG23 VAL 105 2HG2 VAL 105 -11.002 8.070 5.524 681 H GLY 106 H GLY 106 -12.436 8.148 1.018 682 HA2 GLY 106 1HA GLY 106 -14.766 8.179 0.614 683 HA3 GLY 106 2HA GLY 106 -15.089 7.989 2.363 684 H GLU 107 H GLU 107 -12.721 10.268 2.227 685 HA GLU 107 HA GLU 107 -14.457 12.465 2.884 686 HB3 GLU 107 1HB GLU 107 -12.173 13.742 2.529 687 HG3 GLU 107 1HG GLU 107 -11.281 12.828 4.695 688 H GLY 108 H GLY 108 -12.721 11.601 -0.091 689 HA2 GLY 108 1HA GLY 108 -13.544 13.929 -1.612 690 HA3 GLY 108 2HA GLY 108 -12.873 12.408 -2.252 Start of MODEL 9 1 H1 MET 1 H MET 1 12.562 2.912 13.015 2 HA MET 1 HA MET 1 12.079 0.891 11.958 3 HB3 MET 1 1HB MET 1 11.216 -0.879 13.471 4 HG3 MET 1 1HG MET 1 13.186 0.952 14.889 5 HE1 MET 1 3HE MET 1 12.293 -1.248 17.927 6 HE2 MET 1 1HE MET 1 12.579 0.386 17.290 7 HE3 MET 1 2HE MET 1 11.138 -0.542 16.778 8 H LYS 2 H LYS 2 9.406 2.751 13.050 9 HA LYS 2 HA LYS 2 7.210 1.089 12.475 10 HB3 LYS 2 1HB LYS 2 7.432 4.131 12.376 11 HG3 LYS 2 1HG LYS 2 5.166 3.362 11.638 12 HD3 LYS 2 1HD LYS 2 5.103 1.995 14.377 13 HE3 LYS 2 1HE LYS 2 2.759 1.347 13.660 14 HZ1 LYS 2 3HZ LYS 2 3.082 3.167 15.250 15 HZ2 LYS 2 1HZ LYS 2 1.765 3.431 14.318 16 HZ3 LYS 2 2HZ LYS 2 3.136 4.265 14.037 17 H THR 3 H THR 3 9.134 2.928 10.184 18 HA THR 3 HA THR 3 7.276 2.816 7.932 19 HB THR 3 HB THR 3 9.295 3.510 6.650 20 HG1 THR 3 HG1 THR 3 11.163 3.985 7.949 21 HG21 THR 3 3HG2 THR 3 8.856 5.123 9.203 22 HG22 THR 3 1HG2 THR 3 7.848 5.198 7.736 23 HG23 THR 3 2HG2 THR 3 9.553 5.716 7.677 24 H ARG 4 H ARG 4 9.655 0.587 9.248 25 HA ARG 4 HA ARG 4 10.457 -0.545 6.761 26 HB3 ARG 4 1HB ARG 4 11.651 -2.187 8.106 27 HG3 ARG 4 1HG ARG 4 12.790 -0.805 9.842 28 HD3 ARG 4 1HD ARG 4 13.640 -0.844 7.499 29 HE ARG 4 HE ARG 4 11.604 0.967 6.918 30 HH11 ARG 4 1HH1 ARG 4 15.130 1.067 6.578 31 HH12 ARG 4 2HH1 ARG 4 15.070 2.097 5.185 32 HH21 ARG 4 1HH2 ARG 4 11.594 2.298 5.053 33 HH22 ARG 4 2HH2 ARG 4 13.110 2.805 4.369 34 H TYR 5 H TYR 5 10.208 -2.525 5.880 35 HA TYR 5 HA TYR 5 7.483 -3.380 5.674 36 HB3 TYR 5 1HB TYR 5 8.612 -4.903 3.871 37 HD1 TYR 5 HD2 TYR 5 10.273 -1.616 3.651 38 HD2 TYR 5 HD1 TYR 5 6.773 -3.926 2.742 39 HE1 TYR 5 HE2 TYR 5 9.558 0.117 2.018 40 HE2 TYR 5 HE1 TYR 5 6.003 -2.147 1.143 41 HH TYR 5 HH TYR 5 8.023 0.733 0.426 42 H SER 6 H SER 6 6.897 -5.761 5.253 43 HA SER 6 HA SER 6 8.359 -7.590 7.076 44 HB3 SER 6 1HB SER 6 5.339 -7.425 6.826 45 HG SER 6 HG SER 6 5.481 -8.852 8.679 46 H ALA 7 H ALA 7 8.867 -9.530 6.270 47 HA ALA 7 HA ALA 7 8.139 -10.214 3.509 48 HB1 ALA 7 3HB ALA 7 10.435 -10.427 4.384 49 HB2 ALA 7 1HB ALA 7 9.891 -11.574 5.625 50 HB3 ALA 7 2HB ALA 7 9.819 -12.019 3.910 51 H GLU 8 H GLU 8 6.971 -11.155 6.637 52 HA GLU 8 HA GLU 8 5.821 -13.688 5.678 53 HB3 GLU 8 1HB GLU 8 6.912 -13.779 7.781 54 HG3 GLU 8 1HG GLU 8 5.010 -11.624 8.783 55 H ALA 9 H ALA 9 4.790 -11.569 4.303 56 HA ALA 9 HA ALA 9 2.301 -10.577 5.300 57 HB1 ALA 9 3HB ALA 9 1.870 -9.985 2.925 58 HB2 ALA 9 1HB ALA 9 3.494 -9.493 3.455 59 HB3 ALA 9 2HB ALA 9 3.277 -10.945 2.435 60 HA PRO 10 HA PRO 10 -0.556 -13.950 4.608 61 HB3 PRO 10 1HB PRO 10 -2.133 -12.571 5.604 62 HG3 PRO 10 1HG PRO 10 -2.285 -10.221 5.012 63 HD3 PRO 10 1HD PRO 10 -0.138 -10.728 5.877 64 H ALA 11 H ALA 11 -1.839 -15.028 3.017 65 HA ALA 11 HA ALA 11 -1.202 -14.509 0.181 66 HB1 ALA 11 3HB ALA 11 -2.577 -16.525 -0.206 67 HB2 ALA 11 1HB ALA 11 -1.325 -16.837 1.020 68 HB3 ALA 11 2HB ALA 11 -3.015 -16.565 1.517 69 H ARG 12 H ARG 12 -2.885 -14.006 -1.411 70 HA ARG 12 HA ARG 12 -4.451 -11.829 -0.530 71 HB3 ARG 12 1HB ARG 12 -4.897 -13.279 -3.158 72 HG3 ARG 12 1HG ARG 12 -4.991 -10.345 -2.263 73 HD3 ARG 12 1HD ARG 12 -5.481 -11.569 -5.013 74 HE ARG 12 HE ARG 12 -6.248 -9.009 -3.869 75 HH11 ARG 12 1HH1 ARG 12 -5.191 -10.378 -6.945 76 HH12 ARG 12 2HH1 ARG 12 -6.204 -9.279 -7.863 77 HH21 ARG 12 1HH2 ARG 12 -7.364 -7.530 -5.117 78 HH22 ARG 12 2HH2 ARG 12 -7.248 -7.589 -6.845 79 H ASP 13 H ASP 13 -5.428 -15.230 -0.865 80 HA ASP 13 HA ASP 13 -8.263 -14.761 -0.545 81 HB3 ASP 13 1HB ASP 13 -6.652 -17.208 0.227 82 H GLU 14 H GLU 14 -5.583 -14.933 1.797 83 HA GLU 14 HA GLU 14 -7.405 -15.089 4.085 84 HB3 GLU 14 1HB GLU 14 -4.411 -14.520 4.017 85 HG3 GLU 14 1HG GLU 14 -6.327 -15.317 6.242 86 H LEU 15 H LEU 15 -5.861 -12.647 2.132 87 HA LEU 15 HA LEU 15 -6.403 -10.357 3.832 88 HB3 LEU 15 1HB LEU 15 -5.784 -10.418 0.836 89 HG LEU 15 HG LEU 15 -5.284 -8.463 3.095 90 HD11 LEU 15 1HD1 LEU 15 -3.475 -7.415 1.855 91 HD12 LEU 15 2HD1 LEU 15 -3.622 -8.598 0.543 92 HD13 LEU 15 3HD1 LEU 15 -3.043 -9.091 2.150 93 HD21 LEU 15 3HD2 LEU 15 -7.145 -7.987 1.472 94 HD22 LEU 15 1HD2 LEU 15 -5.994 -8.057 0.143 95 HD23 LEU 15 2HD2 LEU 15 -5.841 -6.798 1.390 96 H ASP 16 H ASP 16 -8.100 -11.982 1.173 97 HA ASP 16 HA ASP 16 -10.270 -10.244 0.775 98 HB3 ASP 16 1HB ASP 16 -10.027 -13.266 0.612 99 H ARG 17 H ARG 17 -9.586 -12.102 3.622 100 HA ARG 17 HA ARG 17 -12.303 -12.218 4.674 101 HB3 ARG 17 1HB ARG 17 -11.226 -12.849 6.762 102 HG3 ARG 17 1HG ARG 17 -9.899 -14.799 6.121 103 HD3 ARG 17 1HD ARG 17 -12.121 -14.437 4.064 104 HE ARG 17 HE ARG 17 -11.114 -16.987 5.263 105 HH11 ARG 17 1HH1 ARG 17 -11.745 -15.207 2.242 106 HH12 ARG 17 2HH1 ARG 17 -11.011 -16.461 1.285 107 HH21 ARG 17 1HH2 ARG 17 -10.217 -18.521 3.932 108 HH22 ARG 17 2HH2 ARG 17 -10.102 -18.228 2.221 109 H LEU 18 H LEU 18 -10.077 -9.645 4.254 110 HA LEU 18 HA LEU 18 -10.648 -8.073 6.579 111 HB3 LEU 18 1HB LEU 18 -10.019 -6.120 4.847 112 HG LEU 18 HG LEU 18 -8.043 -8.315 5.602 113 HD11 LEU 18 1HD1 LEU 18 -7.301 -7.063 3.598 114 HD12 LEU 18 2HD1 LEU 18 -6.309 -6.656 5.006 115 HD13 LEU 18 3HD1 LEU 18 -7.580 -5.536 4.440 116 HD21 LEU 18 3HD2 LEU 18 -7.314 -6.535 7.263 117 HD22 LEU 18 1HD2 LEU 18 -8.974 -7.095 7.551 118 HD23 LEU 18 2HD2 LEU 18 -8.687 -5.540 6.747 119 H ALA 19 H ALA 19 -11.631 -5.878 6.489 120 HA ALA 19 HA ALA 19 -14.201 -5.705 5.014 121 HB1 ALA 19 3HB ALA 19 -13.987 -5.621 8.050 122 HB2 ALA 19 1HB ALA 19 -15.461 -5.349 7.077 123 HB3 ALA 19 2HB ALA 19 -14.685 -6.944 7.084 124 H GLY 20 H GLY 20 -12.002 -3.982 7.304 125 HA2 GLY 20 1HA GLY 20 -13.238 -1.412 6.730 126 HA3 GLY 20 2HA GLY 20 -11.809 -1.711 7.751 127 HA PRO 21 HA PRO 21 -10.627 0.272 3.602 128 HB3 PRO 21 1HB PRO 21 -11.457 2.375 4.019 129 HG3 PRO 21 1HG PRO 21 -11.818 3.145 6.237 130 HD3 PRO 21 1HD PRO 21 -12.916 1.068 6.148 131 H THR 22 H THR 22 -8.798 -0.631 3.081 132 HA THR 22 HA THR 22 -6.408 -0.529 4.891 133 HB THR 22 HB THR 22 -7.493 -2.918 3.349 134 HG1 THR 22 HG1 THR 22 -8.535 -2.507 5.270 135 HG21 THR 22 3HG2 THR 22 -5.672 -4.191 4.513 136 HG22 THR 22 1HG2 THR 22 -4.948 -2.659 5.008 137 HG23 THR 22 2HG2 THR 22 -5.050 -3.088 3.289 138 H LEU 23 H LEU 23 -4.396 -0.584 3.840 139 HA LEU 23 HA LEU 23 -4.377 -0.323 0.876 140 HB3 LEU 23 1HB LEU 23 -2.741 1.294 2.891 141 HG LEU 23 HG LEU 23 -1.423 0.925 0.840 142 HD11 LEU 23 1HD1 LEU 23 -4.032 1.515 -0.480 143 HD12 LEU 23 2HD1 LEU 23 -2.722 0.383 -0.899 144 HD13 LEU 23 3HD1 LEU 23 -2.559 2.093 -1.283 145 HD21 LEU 23 3HD2 LEU 23 -1.312 3.079 1.948 146 HD22 LEU 23 1HD2 LEU 23 -2.669 3.681 0.964 147 HD23 LEU 23 2HD2 LEU 23 -1.119 3.271 0.191 148 H VAL 24 H VAL 24 -3.094 -1.808 -0.023 149 HA VAL 24 HA VAL 24 -1.064 -3.234 1.656 150 HB VAL 24 HB VAL 24 -2.285 -4.135 -0.985 151 HG11 VAL 24 1HG1 VAL 24 -0.058 -5.157 -0.386 152 HG12 VAL 24 2HG1 VAL 24 -0.767 -5.739 1.127 153 HG13 VAL 24 3HG1 VAL 24 -1.378 -6.338 -0.423 154 HG21 VAL 24 3HG2 VAL 24 -3.662 -5.715 0.292 155 HG22 VAL 24 1HG2 VAL 24 -3.097 -4.989 1.823 156 HG23 VAL 24 2HG2 VAL 24 -4.084 -4.056 0.692 157 H GLU 25 H GLU 25 0.925 -2.596 1.381 158 HA GLU 25 HA GLU 25 1.761 -1.215 -1.126 159 HB3 GLU 25 1HB GLU 25 2.811 -1.043 1.718 160 HG3 GLU 25 1HG GLU 25 3.584 0.678 -0.657 161 H PHE 26 H PHE 26 3.184 -2.161 -2.427 162 HA PHE 26 HA PHE 26 4.805 -4.477 -1.483 163 HB3 PHE 26 1HB PHE 26 4.910 -5.161 -3.759 164 HD1 PHE 26 HD1 PHE 26 3.085 -6.374 -2.141 165 HD2 PHE 26 HD2 PHE 26 2.203 -3.362 -5.079 166 HE1 PHE 26 HE1 PHE 26 0.675 -6.999 -2.080 167 HE2 PHE 26 HE2 PHE 26 -0.160 -4.066 -5.096 168 HZ PHE 26 HZ PHE 26 -0.956 -5.825 -3.530 169 H GLY 27 H GLY 27 6.888 -4.127 -1.050 170 HA2 GLY 27 1HA GLY 27 8.667 -2.557 -2.666 171 HA3 GLY 27 2HA GLY 27 8.184 -1.659 -1.254 172 H THR 28 H THR 28 10.509 -1.757 -0.779 173 HA THR 28 HA THR 28 11.084 -3.818 1.207 174 HB THR 28 HB THR 28 13.413 -4.162 0.433 175 HG1 THR 28 HG1 THR 28 13.802 -3.669 -1.803 176 HG21 THR 28 3HG2 THR 28 11.456 -5.112 -1.680 177 HG22 THR 28 1HG2 THR 28 11.663 -5.850 -0.087 178 HG23 THR 28 2HG2 THR 28 13.007 -5.832 -1.227 179 H ASP 29 H ASP 29 13.284 -3.135 2.311 180 HA ASP 29 HA ASP 29 12.917 -0.326 3.102 181 HB3 ASP 29 1HB ASP 29 13.204 -2.043 4.806 182 H TRP 30 H TRP 30 14.594 -1.851 0.651 183 HA TRP 30 HA TRP 30 16.938 0.003 0.722 184 HB3 TRP 30 1HB TRP 30 17.607 -2.134 1.398 185 HD1 TRP 30 HD TRP 30 16.316 -4.290 1.896 186 HE1 TRP 30 HE1 TRP 30 15.418 -6.265 0.554 187 HE3 TRP 30 HE3 TRP 30 17.141 -2.483 -2.816 188 HZ2 TRP 30 HZ2 TRP 30 14.981 -6.932 -2.235 189 HZ3 TRP 30 HZ3 TRP 30 16.493 -3.794 -4.786 190 HH2 TRP 30 HH TRP 30 15.379 -6.011 -4.529 191 H CYS 31 H CYS 31 14.331 -1.039 -1.424 192 HA CYS 31 HA CYS 31 15.722 -0.435 -3.875 193 HB2 CYS 31 1HB CYS 31 13.693 -1.776 -3.863 194 HB3 CYS 31 2HB CYS 31 12.753 -0.426 -3.229 195 H GLY 32 H GLY 32 15.880 1.427 -5.071 196 HA2 GLY 32 1HA GLY 32 15.828 4.000 -3.742 197 HA3 GLY 32 2HA GLY 32 16.171 3.706 -5.443 198 H HIS 33 H HIS 33 13.407 2.265 -5.686 199 HA HIS 33 HA HIS 33 11.711 4.617 -6.124 200 HB2 HIS 33 1HB HIS 33 10.898 1.693 -5.784 201 HB3 HIS 33 2HB HIS 33 9.956 3.007 -6.467 202 HD1 HIS 33 HD1 HIS 33 12.128 0.231 -7.511 203 HD2 HIS 33 HD2 HIS 33 10.968 4.012 -8.925 204 HE1 HIS 33 HE1 HIS 33 12.230 0.105 -10.065 205 H CYS 34 H CYS 34 11.977 2.039 -3.648 206 HA CYS 34 HA CYS 34 9.824 2.899 -1.990 207 HB3 CYS 34 1HB CYS 34 11.329 1.632 -0.240 208 HG CYS 34 HG CYS 34 10.242 0.375 -3.145 209 H GLN 35 H GLN 35 13.251 3.902 -1.998 210 HA GLN 35 HA GLN 35 13.082 5.295 0.486 211 HB3 GLN 35 1HB GLN 35 15.100 6.529 -0.247 212 HG3 GLN 35 1HG GLN 35 16.649 4.849 -0.704 213 HE21 GLN 35 2HE2 GLN 35 14.800 2.082 -0.508 214 HE22 GLN 35 1HE2 GLN 35 14.968 1.849 1.236 215 H ALA 36 H ALA 36 11.922 6.172 -2.646 216 HA ALA 36 HA ALA 36 11.403 9.010 -1.954 217 HB1 ALA 36 3HB ALA 36 10.823 7.365 -4.479 218 HB2 ALA 36 1HB ALA 36 10.649 9.123 -4.303 219 HB3 ALA 36 2HB ALA 36 12.258 8.380 -4.210 220 H ALA 37 H ALA 37 9.592 5.957 -2.502 221 HA ALA 37 HA ALA 37 7.012 7.299 -2.274 222 HB1 ALA 37 3HB ALA 37 7.690 4.340 -2.413 223 HB2 ALA 37 1HB ALA 37 6.078 5.084 -2.611 224 HB3 ALA 37 2HB ALA 37 7.359 5.413 -3.798 225 H GLN 38 H GLN 38 9.090 5.461 -0.039 226 HA GLN 38 HA GLN 38 7.112 4.963 1.977 227 HB3 GLN 38 1HB GLN 38 9.249 5.043 3.481 228 HG3 GLN 38 1HG GLN 38 10.064 2.953 1.746 229 HE21 GLN 38 2HE2 GLN 38 7.078 1.930 3.175 230 HE22 GLN 38 1HE2 GLN 38 7.806 1.474 4.718 231 HA PRO 39 HA PRO 39 8.090 9.112 4.083 232 HB3 PRO 39 1HB PRO 39 10.238 9.867 3.735 233 HG3 PRO 39 1HG PRO 39 11.303 9.637 1.604 234 HD3 PRO 39 1HD PRO 39 10.621 7.474 2.287 235 H LEU 40 H LEU 40 7.181 8.732 0.730 236 HA LEU 40 HA LEU 40 5.488 11.082 0.521 237 HB3 LEU 40 1HB LEU 40 4.718 8.627 -1.007 238 HG LEU 40 HG LEU 40 4.710 9.880 -2.895 239 HD11 LEU 40 1HD1 LEU 40 3.059 10.704 -1.074 240 HD12 LEU 40 2HD1 LEU 40 3.290 11.671 -2.520 241 HD13 LEU 40 3HD1 LEU 40 4.070 12.154 -0.999 242 HD21 LEU 40 3HD2 LEU 40 6.491 11.980 -1.604 243 HD22 LEU 40 1HD2 LEU 40 5.825 12.052 -3.254 244 HD23 LEU 40 2HD2 LEU 40 6.978 10.770 -2.820 245 H LEU 41 H LEU 41 4.874 7.599 1.099 246 HA LEU 41 HA LEU 41 2.133 7.781 1.814 247 HB3 LEU 41 1HB LEU 41 2.791 5.684 3.279 248 HG LEU 41 HG LEU 41 2.525 4.172 1.529 249 HD11 LEU 41 1HD1 LEU 41 0.927 6.576 0.631 250 HD12 LEU 41 2HD1 LEU 41 0.542 5.558 2.030 251 HD13 LEU 41 3HD1 LEU 41 0.564 4.873 0.392 252 HD21 LEU 41 3HD2 LEU 41 3.455 6.358 -0.361 253 HD22 LEU 41 1HD2 LEU 41 2.718 4.817 -0.871 254 HD23 LEU 41 2HD2 LEU 41 4.255 4.831 0.013 255 H ALA 42 H ALA 42 5.070 7.922 3.844 256 HA ALA 42 HA ALA 42 3.828 8.307 6.339 257 HB1 ALA 42 3HB ALA 42 6.419 9.565 5.384 258 HB2 ALA 42 1HB ALA 42 5.961 9.188 7.059 259 HB3 ALA 42 2HB ALA 42 6.262 7.872 5.907 260 H GLU 43 H GLU 43 4.332 10.787 3.817 261 HA GLU 43 HA GLU 43 3.515 12.996 5.555 262 HB3 GLU 43 1HB GLU 43 3.296 14.193 3.277 263 HG3 GLU 43 1HG GLU 43 5.826 14.076 2.886 264 H VAL 44 H VAL 44 1.863 11.091 2.964 265 HA VAL 44 HA VAL 44 -0.631 12.503 3.272 266 HB VAL 44 HB VAL 44 -0.345 11.465 1.236 267 HG11 VAL 44 1HG1 VAL 44 -0.149 9.143 0.762 268 HG12 VAL 44 2HG1 VAL 44 1.199 9.701 1.707 269 HG13 VAL 44 3HG1 VAL 44 -0.075 8.720 2.488 270 HG21 VAL 44 3HG2 VAL 44 -2.658 11.332 2.172 271 HG22 VAL 44 1HG2 VAL 44 -2.316 10.119 0.933 272 HG23 VAL 44 2HG2 VAL 44 -2.342 9.662 2.654 273 H PHE 45 H PHE 45 0.471 9.420 4.659 274 HA PHE 45 HA PHE 45 -1.976 8.554 5.705 275 HB3 PHE 45 1HB PHE 45 0.373 7.699 7.293 276 HD1 PHE 45 HD2 PHE 45 -2.009 6.698 8.107 277 HD2 PHE 45 HD1 PHE 45 0.077 5.602 4.496 278 HE1 PHE 45 HE2 PHE 45 -3.250 4.591 8.030 279 HE2 PHE 45 HE1 PHE 45 -1.154 3.456 4.435 280 HZ PHE 45 HZ PHE 45 -2.839 2.939 6.197 281 H SER 46 H SER 46 0.233 10.887 7.172 282 HA SER 46 HA SER 46 -0.635 10.753 9.866 283 HB3 SER 46 1HB SER 46 0.097 13.138 9.976 284 HG SER 46 HG SER 46 2.269 12.671 9.268 285 H ASP 47 H ASP 47 -2.418 11.945 7.102 286 HA ASP 47 HA ASP 47 -4.437 13.282 8.854 287 HB3 ASP 47 1HB ASP 47 -4.451 13.128 5.833 288 H TYR 48 H TYR 48 -3.850 10.218 7.548 289 HA TYR 48 HA TYR 48 -6.710 9.394 7.815 290 HB3 TYR 48 1HB TYR 48 -6.555 8.018 5.873 291 HD1 TYR 48 HD1 TYR 48 -8.162 9.970 5.480 292 HD2 TYR 48 HD2 TYR 48 -3.996 10.089 4.449 293 HE1 TYR 48 HE1 TYR 48 -8.598 11.918 4.012 294 HE2 TYR 48 HE2 TYR 48 -4.402 12.148 3.077 295 HH TYR 48 HH TYR 48 -7.631 13.622 2.791 296 HA PRO 49 HA PRO 49 -3.497 6.586 10.055 297 HB3 PRO 49 1HB PRO 49 -2.963 8.010 11.786 298 HG3 PRO 49 1HG PRO 49 -4.495 9.697 12.527 299 HD3 PRO 49 1HD PRO 49 -4.153 9.974 10.200 300 H GLU 50 H GLU 50 -6.988 7.052 10.248 301 HA GLU 50 HA GLU 50 -7.628 4.527 11.439 302 HB3 GLU 50 1HB GLU 50 -9.175 6.424 11.321 303 HG3 GLU 50 1HG GLU 50 -9.485 5.779 8.352 304 H VAL 51 H VAL 51 -6.323 5.155 8.283 305 HA VAL 51 HA VAL 51 -7.445 2.744 7.010 306 HB VAL 51 HB VAL 51 -5.133 4.554 6.180 307 HG11 VAL 51 1HG1 VAL 51 -6.550 2.343 4.602 308 HG12 VAL 51 2HG1 VAL 51 -5.353 3.485 3.939 309 HG13 VAL 51 3HG1 VAL 51 -4.861 2.302 5.153 310 HG21 VAL 51 3HG2 VAL 51 -7.982 4.395 5.136 311 HG22 VAL 51 1HG2 VAL 51 -7.309 5.709 6.127 312 HG23 VAL 51 2HG2 VAL 51 -6.699 5.433 4.499 313 H GLY 52 H GLY 52 -6.446 0.720 6.959 314 HA2 GLY 52 1HA GLY 52 -4.117 0.203 8.758 315 HA3 GLY 52 2HA GLY 52 -5.111 -1.008 7.933 316 H HIS 53 H HIS 53 -2.010 -0.101 7.985 317 HA HIS 53 HA HIS 53 -1.667 -0.238 5.006 318 HB2 HIS 53 1HB HIS 53 -0.673 1.697 6.500 319 HB3 HIS 53 2HB HIS 53 0.533 0.504 6.943 320 HD1 HIS 53 HD1 HIS 53 2.415 2.032 5.649 321 HD2 HIS 53 HD2 HIS 53 -0.726 0.570 3.270 322 HE1 HIS 53 HE1 HIS 53 3.058 2.461 3.200 323 H LEU 54 H LEU 54 -1.014 -2.144 4.185 324 HA LEU 54 HA LEU 54 0.397 -4.131 5.925 325 HB3 LEU 54 1HB LEU 54 -1.024 -4.714 3.307 326 HG LEU 54 HG LEU 54 -1.409 -6.889 4.137 327 HD11 LEU 54 1HD1 LEU 54 0.801 -7.848 4.356 328 HD12 LEU 54 2HD1 LEU 54 1.487 -6.312 4.892 329 HD13 LEU 54 3HD1 LEU 54 0.875 -6.483 3.230 330 HD21 LEU 54 3HD2 LEU 54 -0.801 -7.715 6.335 331 HD22 LEU 54 1HD2 LEU 54 -1.880 -6.316 6.496 332 HD23 LEU 54 2HD2 LEU 54 -0.139 -6.131 6.795 333 H LYS 55 H LYS 55 2.474 -3.592 5.763 334 HA LYS 55 HA LYS 55 3.763 -2.855 3.229 335 HB3 LYS 55 1HB LYS 55 5.808 -3.079 4.684 336 HG3 LYS 55 1HG LYS 55 3.676 -1.027 5.065 337 HD3 LYS 55 1HD LYS 55 5.313 0.337 6.290 338 HE3 LYS 55 1HE LYS 55 4.520 -2.299 7.623 339 HZ1 LYS 55 3HZ LYS 55 4.968 -1.204 9.700 340 HZ2 LYS 55 1HZ LYS 55 5.563 0.128 8.970 341 HZ3 LYS 55 2HZ LYS 55 6.350 -1.310 8.829 342 H VAL 56 H VAL 56 3.789 -4.562 1.765 343 HA VAL 56 HA VAL 56 4.804 -7.238 2.600 344 HB VAL 56 HB VAL 56 4.013 -6.265 -0.169 345 HG11 VAL 56 1HG1 VAL 56 3.863 -8.657 -0.735 346 HG12 VAL 56 2HG1 VAL 56 5.481 -8.260 -0.181 347 HG13 VAL 56 3HG1 VAL 56 4.371 -9.088 0.920 348 HG21 VAL 56 3HG2 VAL 56 2.282 -7.795 1.803 349 HG22 VAL 56 1HG2 VAL 56 2.030 -6.113 1.259 350 HG23 VAL 56 2HG2 VAL 56 1.880 -7.441 0.119 351 H GLU 57 H GLU 57 6.816 -7.632 2.710 352 HA GLU 57 HA GLU 57 8.829 -6.076 1.326 353 HB3 GLU 57 1HB GLU 57 9.438 -8.673 2.726 354 HG3 GLU 57 1HG GLU 57 10.635 -5.891 2.677 355 H ASP 58 H ASP 58 7.939 -6.353 -0.761 356 HA ASP 58 HA ASP 58 7.445 -8.906 -1.956 357 HB3 ASP 58 1HB ASP 58 7.456 -6.226 -3.367 358 H GLY 59 H GLY 59 10.355 -7.868 -1.394 359 HA2 GLY 59 1HA GLY 59 11.643 -8.699 -3.967 360 HA3 GLY 59 2HA GLY 59 12.480 -8.018 -2.566 361 HA PRO 60 HA PRO 60 13.410 -12.147 -1.434 362 HB3 PRO 60 1HB PRO 60 15.014 -11.042 -0.154 363 HG3 PRO 60 1HG PRO 60 14.382 -9.270 1.357 364 HD3 PRO 60 1HD PRO 60 13.722 -8.587 -0.789 365 H GLY 61 H GLY 61 10.546 -10.830 0.113 366 HA2 GLY 61 1HA GLY 61 9.980 -13.118 1.837 367 HA3 GLY 61 2HA GLY 61 8.914 -11.739 1.468 368 H ARG 62 H ARG 62 7.355 -13.594 1.579 369 HA ARG 62 HA ARG 62 7.170 -15.541 -0.524 370 HB3 ARG 62 1HB ARG 62 4.721 -15.605 0.130 371 HG3 ARG 62 1HG ARG 62 6.603 -15.718 2.528 372 HD3 ARG 62 1HD ARG 62 5.175 -17.818 2.942 373 HE ARG 62 HE ARG 62 3.472 -15.363 3.084 374 HH11 ARG 62 1HH1 ARG 62 5.559 -17.635 4.844 375 HH12 ARG 62 2HH1 ARG 62 4.919 -17.140 6.383 376 HH21 ARG 62 1HH2 ARG 62 2.793 -14.733 5.072 377 HH22 ARG 62 2HH2 ARG 62 3.357 -15.522 6.519 378 H ARG 63 H ARG 63 6.465 -12.170 -0.532 379 HA ARG 63 HA ARG 63 5.825 -10.652 -2.052 380 HB3 ARG 63 1HB ARG 63 5.726 -11.114 -4.438 381 HG3 ARG 63 1HG ARG 63 8.111 -12.621 -3.303 382 HD3 ARG 63 1HD ARG 63 7.933 -12.587 -5.766 383 HE ARG 63 HE ARG 63 7.747 -9.629 -5.365 384 HH11 ARG 63 1HH1 ARG 63 7.961 -12.189 -7.813 385 HH12 ARG 63 2HH1 ARG 63 7.243 -11.178 -9.029 386 HH21 ARG 63 1HH2 ARG 63 6.740 -8.493 -6.851 387 HH22 ARG 63 2HH2 ARG 63 6.598 -9.040 -8.509 388 H LEU 64 H LEU 64 4.024 -9.854 -3.252 389 HA LEU 64 HA LEU 64 1.479 -11.394 -3.262 390 HB3 LEU 64 1HB LEU 64 1.807 -8.881 -1.623 391 HG LEU 64 HG LEU 64 -0.497 -9.291 -2.305 392 HD11 LEU 64 1HD1 LEU 64 -0.185 -12.054 -1.050 393 HD12 LEU 64 2HD1 LEU 64 -0.604 -11.672 -2.737 394 HD13 LEU 64 3HD1 LEU 64 -1.744 -11.296 -1.455 395 HD21 LEU 64 3HD2 LEU 64 -0.124 -8.362 -0.068 396 HD22 LEU 64 1HD2 LEU 64 0.082 -9.983 0.612 397 HD23 LEU 64 2HD2 LEU 64 -1.494 -9.460 0.011 398 H GLY 65 H GLY 65 3.303 -8.468 -4.247 399 HA2 GLY 65 1HA GLY 65 1.232 -7.278 -5.798 400 HA3 GLY 65 2HA GLY 65 2.972 -7.082 -6.063 401 H ARG 66 H ARG 66 3.258 -10.019 -6.484 402 HA ARG 66 HA ARG 66 2.787 -10.635 -9.202 403 HB3 ARG 66 1HB ARG 66 2.938 -12.277 -6.650 404 HG3 ARG 66 1HG ARG 66 3.299 -13.329 -9.488 405 HD3 ARG 66 1HD ARG 66 4.723 -14.443 -7.807 406 HE ARG 66 HE ARG 66 2.158 -14.783 -6.283 407 HH11 ARG 66 1HH1 ARG 66 5.677 -15.283 -6.250 408 HH12 ARG 66 2HH1 ARG 66 5.705 -15.287 -4.499 409 HH21 ARG 66 1HH2 ARG 66 2.352 -14.826 -4.045 410 HH22 ARG 66 2HH2 ARG 66 3.929 -15.002 -3.322 411 H SER 67 H SER 67 0.725 -11.416 -6.343 412 HA SER 67 HA SER 67 -1.372 -12.583 -8.021 413 HB3 SER 67 1HB SER 67 -2.317 -13.299 -5.929 414 HG SER 67 HG SER 67 -0.563 -14.440 -5.082 415 H PHE 68 H PHE 68 -0.738 -9.459 -6.870 416 HA PHE 68 HA PHE 68 -3.511 -8.529 -7.368 417 HB3 PHE 68 1HB PHE 68 -2.291 -6.251 -7.025 418 HD1 PHE 68 HD1 PHE 68 -1.376 -8.572 -4.304 419 HD2 PHE 68 HD2 PHE 68 -4.359 -5.929 -5.875 420 HE1 PHE 68 HE1 PHE 68 -2.525 -8.637 -2.123 421 HE2 PHE 68 HE2 PHE 68 -5.506 -5.913 -3.668 422 HZ PHE 68 HZ PHE 68 -4.596 -7.273 -1.773 423 H GLN 69 H GLN 69 -0.860 -9.461 -9.229 424 HA GLN 69 HA GLN 69 -0.099 -9.036 -11.310 425 HB3 GLN 69 1HB GLN 69 -1.868 -8.632 -13.013 426 HG3 GLN 69 1HG GLN 69 -1.344 -10.898 -12.046 427 HE21 GLN 69 2HE2 GLN 69 -4.237 -9.453 -10.387 428 HE22 GLN 69 1HE2 GLN 69 -4.275 -10.776 -9.218 429 H VAL 70 H VAL 70 0.717 -7.184 -9.680 430 HA VAL 70 HA VAL 70 0.121 -4.461 -10.248 431 HB VAL 70 HB VAL 70 2.436 -5.923 -8.957 432 HG11 VAL 70 1HG1 VAL 70 3.513 -3.931 -9.816 433 HG12 VAL 70 2HG1 VAL 70 2.177 -2.906 -9.249 434 HG13 VAL 70 3HG1 VAL 70 3.257 -3.744 -8.083 435 HG21 VAL 70 3HG2 VAL 70 1.521 -4.978 -6.931 436 HG22 VAL 70 1HG2 VAL 70 0.331 -4.024 -7.845 437 HG23 VAL 70 2HG2 VAL 70 0.222 -5.791 -7.789 438 H LYS 71 H LYS 71 1.066 -2.911 -11.475 439 HA LYS 71 HA LYS 71 2.312 -3.756 -14.005 440 HB3 LYS 71 1HB LYS 71 2.101 -1.248 -14.466 441 HG3 LYS 71 1HG LYS 71 0.405 -3.079 -15.104 442 HD3 LYS 71 1HD LYS 71 -1.289 -1.466 -13.099 443 HE3 LYS 71 1HE LYS 71 -2.908 -3.364 -13.649 444 HZ1 LYS 71 3HZ LYS 71 -2.197 -1.622 -15.948 445 HZ2 LYS 71 1HZ LYS 71 -3.214 -1.203 -14.743 446 HZ3 LYS 71 2HZ LYS 71 -3.616 -2.407 -15.763 447 H LEU 72 H LEU 72 3.328 -0.714 -12.555 448 HA LEU 72 HA LEU 72 6.156 -1.540 -12.611 449 HB3 LEU 72 1HB LEU 72 5.083 1.006 -11.367 450 HG LEU 72 HG LEU 72 7.615 0.348 -11.441 451 HD11 LEU 72 1HD1 LEU 72 7.241 1.160 -14.350 452 HD12 LEU 72 2HD1 LEU 72 7.702 -0.451 -13.763 453 HD13 LEU 72 3HD1 LEU 72 8.781 0.921 -13.526 454 HD21 LEU 72 3HD2 LEU 72 6.674 2.984 -12.642 455 HD22 LEU 72 1HD2 LEU 72 8.266 2.696 -11.898 456 HD23 LEU 72 2HD2 LEU 72 6.794 2.622 -10.909 457 H TRP 73 H TRP 73 7.403 -1.931 -10.762 458 HA TRP 73 HA TRP 73 6.038 -3.422 -8.821 459 HB3 TRP 73 1HB TRP 73 8.844 -2.343 -8.750 460 HD1 TRP 73 HD TRP 73 7.265 -5.788 -7.912 461 HE1 TRP 73 HE1 TRP 73 8.064 -6.501 -5.590 462 HE3 TRP 73 HE3 TRP 73 9.816 -1.562 -6.671 463 HZ2 TRP 73 HZ2 TRP 73 9.998 -5.506 -3.616 464 HZ3 TRP 73 HZ3 TRP 73 11.074 -1.438 -4.524 465 HH2 TRP 73 HH TRP 73 11.264 -3.412 -3.069 466 HA PRO 74 HA PRO 74 6.652 -0.138 -5.475 467 HB3 PRO 74 1HB PRO 74 8.444 1.245 -5.967 468 HG3 PRO 74 1HG PRO 74 8.690 2.215 -8.175 469 HD3 PRO 74 1HD PRO 74 8.639 -0.100 -8.529 470 H THR 75 H THR 75 4.499 -0.741 -5.452 471 HA THR 75 HA THR 75 2.405 1.209 -6.303 472 HB THR 75 HB THR 75 2.712 -1.713 -7.050 473 HG1 THR 75 HG1 THR 75 3.274 -0.689 -8.802 474 HG21 THR 75 3HG2 THR 75 0.372 -1.568 -6.375 475 HG22 THR 75 1HG2 THR 75 0.460 -1.544 -8.137 476 HG23 THR 75 2HG2 THR 75 0.169 -0.028 -7.250 477 H PHE 76 H PHE 76 0.573 1.146 -5.134 478 HA PHE 76 HA PHE 76 0.301 -0.845 -3.015 479 HB3 PHE 76 1HB PHE 76 1.127 0.737 -1.547 480 HD1 PHE 76 HD1 PHE 76 2.865 1.883 -2.877 481 HD2 PHE 76 HD2 PHE 76 -1.154 3.359 -2.412 482 HE1 PHE 76 HE1 PHE 76 3.604 4.121 -3.685 483 HE2 PHE 76 HE2 PHE 76 -0.410 5.583 -3.128 484 HZ PHE 76 HZ PHE 76 1.935 5.953 -3.862 485 H VAL 77 H VAL 77 -1.631 -1.609 -2.789 486 HA VAL 77 HA VAL 77 -3.834 -0.596 -4.543 487 HB VAL 77 HB VAL 77 -3.428 -3.370 -3.390 488 HG11 VAL 77 1HG1 VAL 77 -5.237 -4.020 -4.961 489 HG12 VAL 77 2HG1 VAL 77 -5.832 -2.796 -3.847 490 HG13 VAL 77 3HG1 VAL 77 -5.393 -2.366 -5.502 491 HG21 VAL 77 3HG2 VAL 77 -1.740 -2.697 -5.168 492 HG22 VAL 77 1HG2 VAL 77 -2.770 -4.060 -5.626 493 HG23 VAL 77 2HG2 VAL 77 -3.072 -2.446 -6.275 494 H PHE 78 H PHE 78 -5.630 0.171 -3.709 495 HA PHE 78 HA PHE 78 -5.961 0.226 -0.748 496 HB3 PHE 78 1HB PHE 78 -7.715 1.895 -1.203 497 HD1 PHE 78 HD2 PHE 78 -5.024 2.396 -3.766 498 HD2 PHE 78 HD1 PHE 78 -6.433 3.437 0.183 499 HE1 PHE 78 HE2 PHE 78 -3.189 4.024 -3.525 500 HE2 PHE 78 HE1 PHE 78 -4.630 5.160 0.332 501 HZ PHE 78 HZ PHE 78 -3.035 5.448 -1.545 502 H LEU 79 H LEU 79 -7.280 -1.033 0.223 503 HA LEU 79 HA LEU 79 -9.282 -2.686 -1.238 504 HB3 LEU 79 1HB LEU 79 -8.994 -4.134 0.912 505 HG LEU 79 HG LEU 79 -6.886 -5.210 0.323 506 HD11 LEU 79 1HD1 LEU 79 -9.064 -5.979 -0.558 507 HD12 LEU 79 2HD1 LEU 79 -7.668 -6.404 -1.555 508 HD13 LEU 79 3HD1 LEU 79 -8.702 -5.062 -2.046 509 HD21 LEU 79 3HD2 LEU 79 -5.721 -4.750 -1.742 510 HD22 LEU 79 1HD2 LEU 79 -5.800 -3.258 -0.781 511 HD23 LEU 79 2HD2 LEU 79 -6.925 -3.499 -2.151 512 H ARG 80 H ARG 80 -11.152 -3.125 -0.161 513 HA ARG 80 HA ARG 80 -11.930 -2.183 2.443 514 HB3 ARG 80 1HB ARG 80 -13.516 -0.841 0.235 515 HG3 ARG 80 1HG ARG 80 -12.996 -0.236 3.169 516 HD3 ARG 80 1HD ARG 80 -13.047 1.828 1.798 517 HE ARG 80 HE ARG 80 -15.647 0.728 0.857 518 HH11 ARG 80 1HH1 ARG 80 -13.430 3.537 0.730 519 HH12 ARG 80 2HH1 ARG 80 -14.279 4.201 -0.627 520 HH21 ARG 80 1HH2 ARG 80 -16.615 1.665 -0.904 521 HH22 ARG 80 2HH2 ARG 80 -16.010 3.154 -1.555 522 H ASP 81 H ASP 81 -13.680 -3.360 3.123 523 HA ASP 81 HA ASP 81 -15.077 -5.170 3.207 524 HB3 ASP 81 1HB ASP 81 -15.796 -4.644 0.307 525 H GLY 82 H GLY 82 -12.277 -5.629 2.572 526 HA2 GLY 82 1HA GLY 82 -10.837 -7.314 1.933 527 HA3 GLY 82 2HA GLY 82 -12.261 -8.341 1.676 528 H ARG 83 H ARG 83 -12.438 -5.556 -0.291 529 HA ARG 83 HA ARG 83 -11.334 -6.991 -2.669 530 HB3 ARG 83 1HB ARG 83 -13.315 -5.874 -3.883 531 HG3 ARG 83 1HG ARG 83 -13.787 -8.108 -1.894 532 HD3 ARG 83 1HD ARG 83 -15.441 -8.905 -3.601 533 HE ARG 83 HE ARG 83 -16.034 -7.117 -1.635 534 HH11 ARG 83 1HH1 ARG 83 -17.293 -7.397 -4.935 535 HH12 ARG 83 2HH1 ARG 83 -18.848 -6.765 -4.489 536 HH21 ARG 83 1HH2 ARG 83 -18.061 -6.346 -1.116 537 HH22 ARG 83 2HH2 ARG 83 -19.267 -6.146 -2.366 538 H GLU 84 H GLU 84 -10.653 -5.737 -4.323 539 HA GLU 84 HA GLU 84 -9.252 -3.334 -3.500 540 HB3 GLU 84 1HB GLU 84 -9.458 -4.794 -6.147 541 HG3 GLU 84 1HG GLU 84 -7.871 -2.273 -5.539 542 H VAL 85 H VAL 85 -9.940 -1.347 -3.485 543 HA VAL 85 HA VAL 85 -12.356 -0.498 -5.043 544 HB VAL 85 HB VAL 85 -12.298 1.532 -3.559 545 HG11 VAL 85 1HG1 VAL 85 -13.425 0.414 -1.713 546 HG12 VAL 85 2HG1 VAL 85 -13.848 -0.376 -3.233 547 HG13 VAL 85 3HG1 VAL 85 -12.671 -1.140 -2.152 548 HG21 VAL 85 3HG2 VAL 85 -11.113 1.499 -1.461 549 HG22 VAL 85 1HG2 VAL 85 -10.470 -0.115 -1.763 550 HG23 VAL 85 2HG2 VAL 85 -9.902 1.266 -2.730 551 H ALA 86 H ALA 86 -8.907 -0.042 -4.783 552 HA ALA 86 HA ALA 86 -8.677 1.350 -7.293 553 HB1 ALA 86 3HB ALA 86 -9.444 3.277 -5.931 554 HB2 ALA 86 1HB ALA 86 -8.198 2.894 -4.706 555 HB3 ALA 86 2HB ALA 86 -7.733 3.480 -6.296 556 H ARG 87 H ARG 87 -6.311 2.213 -7.464 557 HA ARG 87 HA ARG 87 -4.457 1.367 -5.446 558 HB3 ARG 87 1HB ARG 87 -4.614 -0.737 -6.617 559 HG3 ARG 87 1HG ARG 87 -3.618 0.819 -9.053 560 HD3 ARG 87 1HD ARG 87 -2.428 -1.331 -8.426 561 HE ARG 87 HE ARG 87 -5.088 -2.421 -8.486 562 HH11 ARG 87 1HH1 ARG 87 -1.902 -3.332 -9.799 563 HH12 ARG 87 2HH1 ARG 87 -2.327 -5.026 -9.770 564 HH21 ARG 87 1HH2 ARG 87 -5.460 -4.587 -8.367 565 HH22 ARG 87 2HH2 ARG 87 -4.268 -5.715 -9.009 566 H VAL 88 H VAL 88 -2.388 2.291 -5.695 567 HA VAL 88 HA VAL 88 -2.162 4.457 -7.796 568 HB VAL 88 HB VAL 88 -1.302 4.459 -4.925 569 HG11 VAL 88 1HG1 VAL 88 -0.306 6.744 -5.361 570 HG12 VAL 88 2HG1 VAL 88 0.544 5.479 -6.260 571 HG13 VAL 88 3HG1 VAL 88 -0.621 6.522 -7.091 572 HG21 VAL 88 3HG2 VAL 88 -3.668 5.207 -5.358 573 HG22 VAL 88 1HG2 VAL 88 -2.648 6.387 -4.528 574 HG23 VAL 88 2HG2 VAL 88 -3.005 6.567 -6.272 575 H VAL 89 H VAL 89 -0.671 4.000 -9.178 576 HA VAL 89 HA VAL 89 1.689 2.259 -8.496 577 HB VAL 89 HB VAL 89 0.449 2.965 -11.192 578 HG11 VAL 89 1HG1 VAL 89 2.813 1.124 -10.636 579 HG12 VAL 89 2HG1 VAL 89 1.984 1.297 -12.191 580 HG13 VAL 89 3HG1 VAL 89 2.847 2.669 -11.505 581 HG21 VAL 89 3HG2 VAL 89 0.437 0.255 -9.816 582 HG22 VAL 89 1HG2 VAL 89 -0.956 1.333 -9.980 583 HG23 VAL 89 2HG2 VAL 89 -0.210 0.621 -11.419 584 H ARG 90 H ARG 90 3.623 3.285 -8.421 585 HA ARG 90 HA ARG 90 5.226 4.852 -8.487 586 HB3 ARG 90 1HB ARG 90 4.076 5.653 -11.180 587 HG3 ARG 90 1HG ARG 90 6.952 5.436 -10.176 588 HD3 ARG 90 1HD ARG 90 5.759 6.747 -12.653 589 HE ARG 90 HE ARG 90 8.254 7.182 -11.434 590 HH11 ARG 90 1HH1 ARG 90 7.156 6.240 -14.655 591 HH12 ARG 90 2HH1 ARG 90 8.579 6.884 -15.426 592 HH21 ARG 90 1HH2 ARG 90 10.061 8.009 -12.508 593 HH22 ARG 90 2HH2 ARG 90 10.181 7.852 -14.233 594 HA PRO 91 HA PRO 91 2.454 8.334 -6.932 595 HB3 PRO 91 1HB PRO 91 2.649 7.745 -4.801 596 HG3 PRO 91 1HG PRO 91 4.467 6.407 -4.026 597 HD3 PRO 91 1HD PRO 91 3.678 5.258 -5.945 598 H GLY 92 H GLY 92 2.716 10.288 -7.893 599 HA2 GLY 92 1HA GLY 92 5.355 11.204 -8.814 600 HA3 GLY 92 2HA GLY 92 3.771 11.930 -9.173 601 H SER 93 H SER 93 2.985 12.206 -6.404 602 HA SER 93 HA SER 93 4.779 13.728 -4.806 603 HB3 SER 93 1HB SER 93 2.743 15.443 -6.277 604 HG SER 93 HG SER 93 4.077 17.110 -5.274 605 H ALA 94 H ALA 94 3.595 14.760 -2.955 606 HA ALA 94 HA ALA 94 1.644 13.042 -1.800 607 HB1 ALA 94 3HB ALA 94 1.487 14.839 -0.099 608 HB2 ALA 94 1HB ALA 94 3.175 14.531 -0.531 609 HB3 ALA 94 2HB ALA 94 2.333 15.956 -1.193 610 H SER 95 H SER 95 1.161 16.034 -3.721 611 HA SER 95 HA SER 95 -1.620 16.257 -3.382 612 HB3 SER 95 1HB SER 95 -1.606 17.576 -5.414 613 HG SER 95 HG SER 95 0.172 18.974 -4.950 614 H VAL 96 H VAL 96 0.086 13.804 -5.205 615 HA VAL 96 HA VAL 96 -2.361 12.931 -6.675 616 HB VAL 96 HB VAL 96 0.476 11.814 -6.696 617 HG11 VAL 96 1HG1 VAL 96 -1.935 11.151 -8.440 618 HG12 VAL 96 2HG1 VAL 96 -0.270 10.590 -8.738 619 HG13 VAL 96 3HG1 VAL 96 -1.125 10.066 -7.287 620 HG21 VAL 96 3HG2 VAL 96 0.436 14.047 -7.722 621 HG22 VAL 96 1HG2 VAL 96 0.649 12.802 -8.959 622 HG23 VAL 96 2HG2 VAL 96 -0.936 13.580 -8.747 623 H LEU 97 H LEU 97 -0.075 11.849 -4.110 624 HA LEU 97 HA LEU 97 -1.432 9.352 -3.680 625 HB3 LEU 97 1HB LEU 97 0.075 10.362 -1.370 626 HG LEU 97 HG LEU 97 0.653 8.183 -3.470 627 HD11 LEU 97 1HD1 LEU 97 1.880 8.633 -0.728 628 HD12 LEU 97 2HD1 LEU 97 2.681 8.790 -2.319 629 HD13 LEU 97 3HD1 LEU 97 2.122 7.212 -1.777 630 HD21 LEU 97 3HD2 LEU 97 -0.140 6.766 -1.353 631 HD22 LEU 97 1HD2 LEU 97 -1.345 7.494 -2.451 632 HD23 LEU 97 2HD2 LEU 97 -0.962 8.274 -0.920 633 H GLU 98 H GLU 98 -1.533 12.418 -1.807 634 HA GLU 98 HA GLU 98 -3.534 11.724 0.051 635 HB3 GLU 98 1HB GLU 98 -4.013 14.171 0.121 636 HG3 GLU 98 1HG GLU 98 -1.028 13.572 0.131 637 H GLU 99 H GLU 99 -3.931 13.000 -3.286 638 HA GLU 99 HA GLU 99 -6.727 13.370 -3.297 639 HB3 GLU 99 1HB GLU 99 -4.727 12.647 -5.477 640 HG3 GLU 99 1HG GLU 99 -7.687 13.192 -5.739 641 H ALA 100 H ALA 100 -4.835 10.392 -3.812 642 HA ALA 100 HA ALA 100 -7.214 8.790 -4.415 643 HB1 ALA 100 3HB ALA 100 -4.372 7.977 -3.700 644 HB2 ALA 100 1HB ALA 100 -5.634 6.916 -4.364 645 HB3 ALA 100 2HB ALA 100 -4.995 8.253 -5.344 646 H PHE 101 H PHE 101 -5.139 9.380 -1.507 647 HA PHE 101 HA PHE 101 -6.293 7.401 0.171 648 HB3 PHE 101 1HB PHE 101 -5.682 9.351 1.911 649 HD1 PHE 101 HD2 PHE 101 -3.224 7.764 -0.581 650 HD2 PHE 101 HD1 PHE 101 -4.900 7.797 3.421 651 HE1 PHE 101 HE2 PHE 101 -1.594 6.111 0.154 652 HE2 PHE 101 HE1 PHE 101 -3.250 6.108 4.124 653 HZ PHE 101 HZ PHE 101 -1.579 5.270 2.460 654 H GLU 102 H GLU 102 -7.218 10.877 -0.125 655 HA GLU 102 HA GLU 102 -9.447 10.691 1.626 656 HB3 GLU 102 1HB GLU 102 -8.609 12.821 1.128 657 HG3 GLU 102 1HG GLU 102 -8.449 12.093 -1.597 658 H SER 103 H SER 103 -9.203 9.943 -1.835 659 HA SER 103 HA SER 103 -12.046 9.771 -2.262 660 HB3 SER 103 1HB SER 103 -9.783 8.471 -3.830 661 HG SER 103 HG SER 103 -11.309 8.705 -5.555 662 H LEU 104 H LEU 104 -9.651 7.453 -1.047 663 HA LEU 104 HA LEU 104 -11.661 5.245 -1.177 664 HB3 LEU 104 1HB LEU 104 -9.685 3.829 -0.543 665 HG LEU 104 HG LEU 104 -8.886 3.495 -2.630 666 HD11 LEU 104 1HD1 LEU 104 -11.455 3.543 -2.616 667 HD12 LEU 104 2HD1 LEU 104 -10.683 3.610 -4.184 668 HD13 LEU 104 3HD1 LEU 104 -11.331 5.094 -3.467 669 HD21 LEU 104 3HD2 LEU 104 -9.245 6.388 -3.421 670 HD22 LEU 104 1HD2 LEU 104 -8.619 5.130 -4.449 671 HD23 LEU 104 2HD2 LEU 104 -7.699 5.571 -3.006 672 H VAL 105 H VAL 105 -10.017 7.215 1.201 673 HA VAL 105 HA VAL 105 -10.948 5.702 3.478 674 HB VAL 105 HB VAL 105 -9.150 7.648 3.257 675 HG11 VAL 105 1HG1 VAL 105 -10.844 9.385 2.624 676 HG12 VAL 105 2HG1 VAL 105 -11.502 9.270 4.268 677 HG13 VAL 105 3HG1 VAL 105 -9.844 9.802 4.015 678 HG21 VAL 105 3HG2 VAL 105 -10.842 7.415 5.752 679 HG22 VAL 105 1HG2 VAL 105 -9.572 6.265 5.233 680 HG23 VAL 105 2HG2 VAL 105 -9.144 7.940 5.614 681 H GLY 106 H GLY 106 -12.482 7.886 1.254 682 HA2 GLY 106 1HA GLY 106 -14.789 7.974 0.916 683 HA3 GLY 106 2HA GLY 106 -15.092 7.625 2.644 684 H GLU 107 H GLU 107 -12.774 9.953 2.720 685 HA GLU 107 HA GLU 107 -14.587 12.034 3.557 686 HB3 GLU 107 1HB GLU 107 -12.341 13.395 3.435 687 HG3 GLU 107 1HG GLU 107 -11.433 12.217 5.455 688 H GLY 108 H GLY 108 -12.910 11.359 0.521 689 HA2 GLY 108 1HA GLY 108 -13.586 13.814 -0.849 690 HA3 GLY 108 2HA GLY 108 -13.070 12.273 -1.583 Start of MODEL 10 1 H1 MET 1 H MET 1 19.754 -2.628 10.403 2 HA MET 1 HA MET 1 18.510 -1.257 12.659 3 HB3 MET 1 1HB MET 1 17.031 0.164 11.204 4 HG3 MET 1 1HG MET 1 18.691 1.926 10.659 5 HE1 MET 1 3HE MET 1 20.122 3.474 13.902 6 HE2 MET 1 1HE MET 1 21.007 2.691 12.572 7 HE3 MET 1 2HE MET 1 19.617 3.754 12.228 8 H LYS 2 H LYS 2 16.360 -1.865 13.005 9 HA LYS 2 HA LYS 2 15.351 -4.244 11.581 10 HB3 LYS 2 1HB LYS 2 13.494 -4.120 13.199 11 HG3 LYS 2 1HG LYS 2 14.650 -4.367 15.335 12 HD3 LYS 2 1HD LYS 2 16.429 -5.537 13.148 13 HE3 LYS 2 1HE LYS 2 15.762 -6.392 16.003 14 HZ1 LYS 2 3HZ LYS 2 17.382 -8.139 15.583 15 HZ2 LYS 2 1HZ LYS 2 17.577 -7.669 14.033 16 HZ3 LYS 2 2HZ LYS 2 16.142 -8.285 14.524 17 H THR 3 H THR 3 13.672 -4.290 10.117 18 HA THR 3 HA THR 3 13.102 -1.767 8.755 19 HB THR 3 HB THR 3 12.028 -3.250 7.050 20 HG1 THR 3 HG1 THR 3 12.235 -5.433 7.293 21 HG21 THR 3 3HG2 THR 3 14.872 -4.065 7.834 22 HG22 THR 3 1HG2 THR 3 14.448 -2.568 6.991 23 HG23 THR 3 2HG2 THR 3 14.139 -4.128 6.210 24 H ARG 4 H ARG 4 11.149 -0.976 8.153 25 HA ARG 4 HA ARG 4 8.898 -1.344 10.024 26 HB3 ARG 4 1HB ARG 4 7.893 0.489 8.552 27 HG3 ARG 4 1HG ARG 4 9.047 0.866 10.737 28 HD3 ARG 4 1HD ARG 4 11.440 0.513 10.170 29 HE ARG 4 HE ARG 4 11.895 1.354 8.043 30 HH11 ARG 4 1HH1 ARG 4 10.886 4.067 10.098 31 HH12 ARG 4 2HH1 ARG 4 11.334 5.241 8.906 32 HH21 ARG 4 1HH2 ARG 4 12.350 2.868 6.553 33 HH22 ARG 4 2HH2 ARG 4 12.210 4.576 6.913 34 H TYR 5 H TYR 5 9.764 -2.255 6.912 35 HA TYR 5 HA TYR 5 7.178 -3.213 5.942 36 HB3 TYR 5 1HB TYR 5 8.905 -4.582 4.418 37 HD1 TYR 5 HD2 TYR 5 9.341 -0.854 4.585 38 HD2 TYR 5 HD1 TYR 5 7.379 -4.198 2.723 39 HE1 TYR 5 HE2 TYR 5 8.426 0.667 2.805 40 HE2 TYR 5 HE1 TYR 5 6.435 -2.672 0.973 41 HH TYR 5 HH TYR 5 7.257 0.796 0.842 42 H SER 6 H SER 6 6.652 -5.473 5.458 43 HA SER 6 HA SER 6 7.737 -7.424 7.463 44 HB3 SER 6 1HB SER 6 5.382 -8.177 7.745 45 HG SER 6 HG SER 6 4.749 -6.361 9.029 46 H ALA 7 H ALA 7 8.432 -9.281 6.538 47 HA ALA 7 HA ALA 7 7.656 -10.072 3.832 48 HB1 ALA 7 3HB ALA 7 9.215 -11.918 4.249 49 HB2 ALA 7 1HB ALA 7 9.944 -10.379 4.732 50 HB3 ALA 7 2HB ALA 7 9.307 -11.491 5.968 51 H GLU 8 H GLU 8 6.549 -10.835 7.068 52 HA GLU 8 HA GLU 8 5.118 -13.256 6.315 53 HB3 GLU 8 1HB GLU 8 4.271 -13.190 8.622 54 HG3 GLU 8 1HG GLU 8 7.269 -12.635 8.542 55 H ALA 9 H ALA 9 4.352 -11.194 4.581 56 HA ALA 9 HA ALA 9 1.839 -9.971 5.327 57 HB1 ALA 9 3HB ALA 9 1.652 -9.555 2.870 58 HB2 ALA 9 1HB ALA 9 3.221 -9.031 3.533 59 HB3 ALA 9 2HB ALA 9 3.102 -10.542 2.594 60 HA PRO 10 HA PRO 10 -0.972 -13.354 4.601 61 HB3 PRO 10 1HB PRO 10 -2.662 -11.943 5.251 62 HG3 PRO 10 1HG PRO 10 -2.723 -9.631 4.504 63 HD3 PRO 10 1HD PRO 10 -0.680 -10.026 5.609 64 H ALA 11 H ALA 11 -1.853 -14.706 3.026 65 HA ALA 11 HA ALA 11 -1.205 -14.268 0.160 66 HB1 ALA 11 3HB ALA 11 -1.037 -16.536 1.174 67 HB2 ALA 11 1HB ALA 11 -2.758 -16.454 1.634 68 HB3 ALA 11 2HB ALA 11 -2.306 -16.496 -0.077 69 H ARG 12 H ARG 12 -3.034 -14.308 -1.455 70 HA ARG 12 HA ARG 12 -4.920 -12.262 -0.995 71 HB3 ARG 12 1HB ARG 12 -6.110 -13.239 -3.043 72 HG3 ARG 12 1HG ARG 12 -4.352 -12.794 -4.662 73 HD3 ARG 12 1HD ARG 12 -3.625 -10.559 -4.061 74 HE ARG 12 HE ARG 12 -6.256 -10.617 -2.729 75 HH11 ARG 12 1HH1 ARG 12 -4.656 -10.415 -5.921 76 HH12 ARG 12 2HH1 ARG 12 -6.040 -9.671 -6.627 77 HH21 ARG 12 1HH2 ARG 12 -8.001 -9.755 -3.757 78 HH22 ARG 12 2HH2 ARG 12 -7.926 -9.358 -5.445 79 H ASP 13 H ASP 13 -5.341 -15.745 -0.524 80 HA ASP 13 HA ASP 13 -8.174 -15.675 -0.027 81 HB3 ASP 13 1HB ASP 13 -6.089 -17.667 0.931 82 H GLU 14 H GLU 14 -5.381 -15.144 2.083 83 HA GLU 14 HA GLU 14 -6.876 -15.294 4.613 84 HB3 GLU 14 1HB GLU 14 -4.706 -14.430 5.529 85 HG3 GLU 14 1HG GLU 14 -4.318 -16.789 3.639 86 H LEU 15 H LEU 15 -5.586 -12.863 2.388 87 HA LEU 15 HA LEU 15 -6.325 -10.475 3.792 88 HB3 LEU 15 1HB LEU 15 -5.303 -11.313 1.083 89 HG LEU 15 HG LEU 15 -6.347 -8.532 1.648 90 HD11 LEU 15 1HD1 LEU 15 -3.868 -8.454 1.334 91 HD12 LEU 15 2HD1 LEU 15 -4.756 -7.661 0.044 92 HD13 LEU 15 3HD1 LEU 15 -4.069 -9.283 -0.225 93 HD21 LEU 15 3HD2 LEU 15 -6.717 -8.787 -0.945 94 HD22 LEU 15 1HD2 LEU 15 -7.794 -9.688 0.120 95 HD23 LEU 15 2HD2 LEU 15 -6.438 -10.500 -0.686 96 H ASP 16 H ASP 16 -8.085 -12.532 1.474 97 HA ASP 16 HA ASP 16 -10.256 -10.819 0.878 98 HB3 ASP 16 1HB ASP 16 -10.128 -13.839 1.194 99 H ARG 17 H ARG 17 -9.496 -12.370 3.891 100 HA ARG 17 HA ARG 17 -12.191 -12.338 5.003 101 HB3 ARG 17 1HB ARG 17 -11.104 -12.976 7.078 102 HG3 ARG 17 1HG ARG 17 -9.985 -15.032 6.486 103 HD3 ARG 17 1HD ARG 17 -11.413 -16.074 4.809 104 HE ARG 17 HE ARG 17 -12.453 -15.171 7.065 105 HH11 ARG 17 1HH1 ARG 17 -13.863 -14.849 3.832 106 HH12 ARG 17 2HH1 ARG 17 -15.489 -14.800 4.450 107 HH21 ARG 17 1HH2 ARG 17 -14.556 -15.082 7.789 108 HH22 ARG 17 2HH2 ARG 17 -15.873 -14.943 6.671 109 H LEU 18 H LEU 18 -9.773 -9.884 4.524 110 HA LEU 18 HA LEU 18 -10.467 -8.329 6.874 111 HB3 LEU 18 1HB LEU 18 -8.305 -8.192 5.651 112 HG LEU 18 HG LEU 18 -9.310 -7.493 3.312 113 HD11 LEU 18 1HD1 LEU 18 -9.434 -4.842 4.785 114 HD12 LEU 18 2HD1 LEU 18 -10.725 -5.632 3.850 115 HD13 LEU 18 3HD1 LEU 18 -9.324 -4.978 3.025 116 HD21 LEU 18 3HD2 LEU 18 -6.900 -7.547 3.881 117 HD22 LEU 18 1HD2 LEU 18 -7.031 -5.962 4.649 118 HD23 LEU 18 2HD2 LEU 18 -7.274 -6.111 2.902 119 H ALA 19 H ALA 19 -11.443 -6.112 6.809 120 HA ALA 19 HA ALA 19 -13.622 -5.823 4.791 121 HB1 ALA 19 3HB ALA 19 -14.012 -5.807 7.815 122 HB2 ALA 19 1HB ALA 19 -15.272 -5.501 6.599 123 HB3 ALA 19 2HB ALA 19 -14.513 -7.100 6.703 124 H GLY 20 H GLY 20 -11.656 -4.144 7.251 125 HA2 GLY 20 1HA GLY 20 -12.938 -1.582 6.753 126 HA3 GLY 20 2HA GLY 20 -11.486 -1.878 7.738 127 HA PRO 21 HA PRO 21 -10.413 0.133 3.556 128 HB3 PRO 21 1HB PRO 21 -11.293 2.208 3.945 129 HG3 PRO 21 1HG PRO 21 -11.675 3.001 6.149 130 HD3 PRO 21 1HD PRO 21 -12.714 0.880 6.104 131 H THR 22 H THR 22 -8.608 -0.960 3.170 132 HA THR 22 HA THR 22 -6.183 -0.575 4.903 133 HB THR 22 HB THR 22 -7.107 -3.185 3.632 134 HG1 THR 22 HG1 THR 22 -8.335 -2.608 5.429 135 HG21 THR 22 3HG2 THR 22 -5.256 -4.144 5.045 136 HG22 THR 22 1HG2 THR 22 -4.753 -2.494 5.463 137 HG23 THR 22 2HG2 THR 22 -4.648 -3.058 3.785 138 H LEU 23 H LEU 23 -4.612 0.348 3.757 139 HA LEU 23 HA LEU 23 -4.464 -0.060 0.829 140 HB3 LEU 23 1HB LEU 23 -2.767 1.602 2.730 141 HG LEU 23 HG LEU 23 -1.522 1.210 0.673 142 HD11 LEU 23 1HD1 LEU 23 -4.169 1.753 -0.585 143 HD12 LEU 23 2HD1 LEU 23 -2.923 0.561 -0.998 144 HD13 LEU 23 3HD1 LEU 23 -2.726 2.252 -1.469 145 HD21 LEU 23 3HD2 LEU 23 -1.395 3.423 1.647 146 HD22 LEU 23 1HD2 LEU 23 -2.807 3.945 0.684 147 HD23 LEU 23 2HD2 LEU 23 -1.278 3.513 -0.114 148 H VAL 24 H VAL 24 -3.218 -1.627 -0.022 149 HA VAL 24 HA VAL 24 -1.136 -2.928 1.688 150 HB VAL 24 HB VAL 24 -2.546 -4.041 -0.792 151 HG11 VAL 24 1HG1 VAL 24 -0.283 -5.002 -0.461 152 HG12 VAL 24 2HG1 VAL 24 -0.694 -5.401 1.227 153 HG13 VAL 24 3HG1 VAL 24 -1.545 -6.182 -0.122 154 HG21 VAL 24 3HG2 VAL 24 -3.713 -5.559 0.795 155 HG22 VAL 24 1HG2 VAL 24 -3.012 -4.654 2.161 156 HG23 VAL 24 2HG2 VAL 24 -4.157 -3.875 1.062 157 H GLU 25 H GLU 25 0.844 -2.326 1.316 158 HA GLU 25 HA GLU 25 1.631 -1.111 -1.284 159 HB3 GLU 25 1HB GLU 25 2.669 -0.758 1.547 160 HG3 GLU 25 1HG GLU 25 3.426 0.781 -0.966 161 H PHE 26 H PHE 26 3.082 -2.100 -2.522 162 HA PHE 26 HA PHE 26 4.705 -4.336 -1.427 163 HB3 PHE 26 1HB PHE 26 4.898 -5.132 -3.644 164 HD1 PHE 26 HD1 PHE 26 2.988 -6.304 -2.111 165 HD2 PHE 26 HD2 PHE 26 2.262 -3.332 -5.134 166 HE1 PHE 26 HE1 PHE 26 0.556 -6.872 -2.098 167 HE2 PHE 26 HE2 PHE 26 -0.110 -3.998 -5.215 168 HZ PHE 26 HZ PHE 26 -0.989 -5.687 -3.623 169 H GLY 27 H GLY 27 6.841 -4.148 -1.215 170 HA2 GLY 27 1HA GLY 27 8.676 -2.631 -2.701 171 HA3 GLY 27 2HA GLY 27 8.111 -1.586 -1.413 172 H THR 28 H THR 28 10.324 -1.621 -0.678 173 HA THR 28 HA THR 28 10.573 -3.505 1.554 174 HB THR 28 HB THR 28 13.011 -3.743 1.279 175 HG1 THR 28 HG1 THR 28 13.847 -3.257 -0.844 176 HG21 THR 28 3HG2 THR 28 11.561 -4.852 -1.158 177 HG22 THR 28 1HG2 THR 28 11.523 -5.547 0.466 178 HG23 THR 28 2HG2 THR 28 13.047 -5.463 -0.428 179 H ASP 29 H ASP 29 12.621 -2.553 2.914 180 HA ASP 29 HA ASP 29 11.845 0.267 3.383 181 HB3 ASP 29 1HB ASP 29 13.790 -1.300 5.068 182 H TRP 30 H TRP 30 13.998 -1.196 1.398 183 HA TRP 30 HA TRP 30 16.205 0.788 1.786 184 HB3 TRP 30 1HB TRP 30 16.913 -1.232 2.726 185 HD1 TRP 30 HD TRP 30 15.577 -3.385 3.176 186 HE1 TRP 30 HE1 TRP 30 15.101 -5.560 1.891 187 HE3 TRP 30 HE3 TRP 30 17.283 -1.961 -1.434 188 HZ2 TRP 30 HZ2 TRP 30 15.266 -6.484 -0.848 189 HZ3 TRP 30 HZ3 TRP 30 17.101 -3.488 -3.351 190 HH2 TRP 30 HH TRP 30 16.075 -5.745 -3.095 191 H CYS 31 H CYS 31 14.028 -0.487 -0.653 192 HA CYS 31 HA CYS 31 15.746 0.051 -2.919 193 HB2 CYS 31 1HB CYS 31 13.758 -1.405 -3.059 194 HB3 CYS 31 2HB CYS 31 12.721 -0.019 -2.678 195 H GLY 32 H GLY 32 15.894 1.829 -4.225 196 HA2 GLY 32 1HA GLY 32 15.635 4.466 -3.079 197 HA3 GLY 32 2HA GLY 32 16.086 4.089 -4.745 198 H HIS 33 H HIS 33 13.432 2.524 -5.073 199 HA HIS 33 HA HIS 33 11.624 4.725 -5.748 200 HB2 HIS 33 1HB HIS 33 10.991 1.778 -5.137 201 HB3 HIS 33 2HB HIS 33 9.937 2.941 -5.907 202 HD1 HIS 33 HD1 HIS 33 12.216 0.235 -6.755 203 HD2 HIS 33 HD2 HIS 33 10.909 3.844 -8.460 204 HE1 HIS 33 HE1 HIS 33 12.278 -0.109 -9.307 205 H CYS 34 H CYS 34 11.845 2.396 -3.034 206 HA CYS 34 HA CYS 34 9.590 3.403 -1.596 207 HB3 CYS 34 1HB CYS 34 10.951 2.198 0.322 208 HG CYS 34 HG CYS 34 9.817 0.047 -0.110 209 H GLN 35 H GLN 35 13.040 4.344 -1.490 210 HA GLN 35 HA GLN 35 12.761 5.839 0.930 211 HB3 GLN 35 1HB GLN 35 14.807 7.040 0.282 212 HG3 GLN 35 1HG GLN 35 16.364 5.302 -0.044 213 HE21 GLN 35 2HE2 GLN 35 14.207 2.708 0.254 214 HE22 GLN 35 1HE2 GLN 35 14.293 2.594 2.025 215 H ALA 36 H ALA 36 11.765 6.591 -2.280 216 HA ALA 36 HA ALA 36 11.176 9.456 -1.753 217 HB1 ALA 36 3HB ALA 36 12.164 8.743 -3.919 218 HB2 ALA 36 1HB ALA 36 10.782 7.688 -4.216 219 HB3 ALA 36 2HB ALA 36 10.555 9.447 -4.143 220 H ALA 37 H ALA 37 9.421 6.363 -2.239 221 HA ALA 37 HA ALA 37 6.825 7.720 -2.148 222 HB1 ALA 37 3HB ALA 37 5.920 5.489 -2.506 223 HB2 ALA 37 1HB ALA 37 7.245 5.805 -3.642 224 HB3 ALA 37 2HB ALA 37 7.518 4.758 -2.223 225 H GLN 38 H GLN 38 8.818 5.967 0.204 226 HA GLN 38 HA GLN 38 6.795 5.343 2.122 227 HB3 GLN 38 1HB GLN 38 8.798 5.578 3.742 228 HG3 GLN 38 1HG GLN 38 8.911 3.616 1.398 229 HE21 GLN 38 2HE2 GLN 38 9.192 2.515 4.694 230 HE22 GLN 38 1HE2 GLN 38 10.931 2.210 4.635 231 HA PRO 39 HA PRO 39 7.386 9.557 4.278 232 HB3 PRO 39 1HB PRO 39 9.462 10.524 4.002 233 HG3 PRO 39 1HG PRO 39 10.655 10.313 1.965 234 HD3 PRO 39 1HD PRO 39 10.086 8.125 2.615 235 H LEU 40 H LEU 40 6.683 9.167 0.871 236 HA LEU 40 HA LEU 40 4.879 11.404 0.551 237 HB3 LEU 40 1HB LEU 40 4.454 8.875 -1.015 238 HG LEU 40 HG LEU 40 4.384 10.105 -2.898 239 HD11 LEU 40 1HD1 LEU 40 2.839 11.807 -2.616 240 HD12 LEU 40 2HD1 LEU 40 3.508 12.351 -1.058 241 HD13 LEU 40 3HD1 LEU 40 2.595 10.846 -1.164 242 HD21 LEU 40 3HD2 LEU 40 5.953 12.344 -1.566 243 HD22 LEU 40 1HD2 LEU 40 5.338 12.346 -3.241 244 HD23 LEU 40 2HD2 LEU 40 6.563 11.161 -2.751 245 H LEU 41 H LEU 41 4.388 7.901 1.070 246 HA LEU 41 HA LEU 41 1.569 8.030 1.560 247 HB3 LEU 41 1HB LEU 41 2.183 5.805 2.899 248 HG LEU 41 HG LEU 41 2.250 4.397 1.057 249 HD11 LEU 41 1HD1 LEU 41 0.415 5.125 -0.345 250 HD12 LEU 41 2HD1 LEU 41 0.583 6.788 0.243 251 HD13 LEU 41 3HD1 LEU 41 0.144 5.483 1.363 252 HD21 LEU 41 3HD2 LEU 41 3.226 6.722 -0.603 253 HD22 LEU 41 1HD2 LEU 41 2.679 5.170 -1.266 254 HD23 LEU 41 2HD2 LEU 41 4.082 5.232 -0.199 255 H ALA 42 H ALA 42 4.374 8.070 3.768 256 HA ALA 42 HA ALA 42 2.917 8.127 6.199 257 HB1 ALA 42 3HB ALA 42 5.590 9.466 5.567 258 HB2 ALA 42 1HB ALA 42 4.986 9.017 7.178 259 HB3 ALA 42 2HB ALA 42 5.369 7.744 5.996 260 H GLU 43 H GLU 43 3.772 10.869 4.063 261 HA GLU 43 HA GLU 43 2.651 12.902 5.830 262 HB3 GLU 43 1HB GLU 43 2.645 14.250 3.622 263 HG3 GLU 43 1HG GLU 43 5.227 14.147 3.489 264 H VAL 44 H VAL 44 1.338 11.157 2.947 265 HA VAL 44 HA VAL 44 -1.188 12.461 2.979 266 HB VAL 44 HB VAL 44 -0.563 9.640 2.036 267 HG11 VAL 44 1HG1 VAL 44 -2.969 11.381 1.575 268 HG12 VAL 44 2HG1 VAL 44 -2.513 10.032 0.515 269 HG13 VAL 44 3HG1 VAL 44 -2.881 9.748 2.230 270 HG21 VAL 44 3HG2 VAL 44 0.341 10.344 0.255 271 HG22 VAL 44 1HG2 VAL 44 -0.829 11.667 0.008 272 HG23 VAL 44 2HG2 VAL 44 0.565 11.906 1.068 273 H PHE 45 H PHE 45 -0.245 9.337 4.480 274 HA PHE 45 HA PHE 45 -2.680 8.707 5.791 275 HB3 PHE 45 1HB PHE 45 -0.815 7.593 7.414 276 HD1 PHE 45 HD2 PHE 45 -2.990 6.275 7.067 277 HD2 PHE 45 HD1 PHE 45 0.283 6.267 4.232 278 HE1 PHE 45 HE2 PHE 45 -3.690 4.068 6.199 279 HE2 PHE 45 HE1 PHE 45 -0.394 4.066 3.462 280 HZ PHE 45 HZ PHE 45 -2.428 2.967 4.397 281 H SER 46 H SER 46 -0.507 11.312 6.480 282 HA SER 46 HA SER 46 -0.957 11.467 9.342 283 HB3 SER 46 1HB SER 46 -0.464 13.824 7.503 284 HG SER 46 HG SER 46 0.658 13.301 10.079 285 H ASP 47 H ASP 47 -2.902 12.383 6.529 286 HA ASP 47 HA ASP 47 -4.939 13.775 8.169 287 HB3 ASP 47 1HB ASP 47 -5.850 13.789 5.626 288 H TYR 48 H TYR 48 -4.303 10.583 7.071 289 HA TYR 48 HA TYR 48 -7.164 9.802 7.445 290 HB3 TYR 48 1HB TYR 48 -7.093 8.332 5.557 291 HD1 TYR 48 HD2 TYR 48 -8.660 10.420 5.189 292 HD2 TYR 48 HD1 TYR 48 -4.553 10.238 3.921 293 HE1 TYR 48 HE2 TYR 48 -9.046 12.344 3.674 294 HE2 TYR 48 HE1 TYR 48 -4.903 12.251 2.488 295 HH TYR 48 HH TYR 48 -6.384 13.839 1.785 296 HA PRO 49 HA PRO 49 -4.017 7.123 9.847 297 HB3 PRO 49 1HB PRO 49 -3.530 8.632 11.519 298 HG3 PRO 49 1HG PRO 49 -5.091 10.336 12.143 299 HD3 PRO 49 1HD PRO 49 -4.718 10.517 9.815 300 H GLU 50 H GLU 50 -7.529 7.553 9.947 301 HA GLU 50 HA GLU 50 -8.153 5.085 11.237 302 HB3 GLU 50 1HB GLU 50 -9.722 6.943 10.986 303 HG3 GLU 50 1HG GLU 50 -9.998 6.108 8.059 304 H VAL 51 H VAL 51 -6.769 5.606 8.113 305 HA VAL 51 HA VAL 51 -7.730 3.050 6.956 306 HB VAL 51 HB VAL 51 -5.707 5.066 5.897 307 HG11 VAL 51 1HG1 VAL 51 -7.024 2.732 4.440 308 HG12 VAL 51 2HG1 VAL 51 -5.994 3.973 3.713 309 HG13 VAL 51 3HG1 VAL 51 -5.313 2.855 4.887 310 HG21 VAL 51 3HG2 VAL 51 -7.952 6.060 5.986 311 HG22 VAL 51 1HG2 VAL 51 -7.502 5.720 4.312 312 HG23 VAL 51 2HG2 VAL 51 -8.627 4.644 5.149 313 H GLY 52 H GLY 52 -6.450 1.198 6.857 314 HA2 GLY 52 1HA GLY 52 -4.033 1.054 8.592 315 HA3 GLY 52 2HA GLY 52 -4.919 -0.308 7.893 316 H HIS 53 H HIS 53 -2.015 0.152 7.823 317 HA HIS 53 HA HIS 53 -1.673 0.150 4.854 318 HB2 HIS 53 1HB HIS 53 -0.759 2.212 6.187 319 HB3 HIS 53 2HB HIS 53 0.493 1.113 6.720 320 HD1 HIS 53 HD1 HIS 53 2.292 2.632 5.305 321 HD2 HIS 53 HD2 HIS 53 -0.771 0.829 3.065 322 HE1 HIS 53 HE1 HIS 53 2.929 2.863 2.817 323 H LEU 54 H LEU 54 -1.125 -1.879 4.231 324 HA LEU 54 HA LEU 54 0.499 -3.617 6.033 325 HB3 LEU 54 1HB LEU 54 -0.892 -4.445 3.475 326 HG LEU 54 HG LEU 54 -1.153 -6.592 4.429 327 HD11 LEU 54 1HD1 LEU 54 1.137 -6.115 3.538 328 HD12 LEU 54 2HD1 LEU 54 1.087 -7.429 4.726 329 HD13 LEU 54 3HD1 LEU 54 1.688 -5.836 5.200 330 HD21 LEU 54 3HD2 LEU 54 -1.707 -5.939 6.735 331 HD22 LEU 54 1HD2 LEU 54 -0.003 -5.564 7.069 332 HD23 LEU 54 2HD2 LEU 54 -0.493 -7.227 6.695 333 H LYS 55 H LYS 55 2.596 -3.297 5.767 334 HA LYS 55 HA LYS 55 3.750 -2.509 3.157 335 HB3 LYS 55 1HB LYS 55 5.841 -2.473 4.473 336 HG3 LYS 55 1HG LYS 55 4.449 -0.433 4.175 337 HD3 LYS 55 1HD LYS 55 2.634 -0.717 5.702 338 HE3 LYS 55 1HE LYS 55 4.705 -0.706 7.960 339 HZ1 LYS 55 3HZ LYS 55 2.578 0.301 8.560 340 HZ2 LYS 55 1HZ LYS 55 2.743 -1.121 9.337 341 HZ3 LYS 55 2HZ LYS 55 1.743 -1.012 8.036 342 H VAL 56 H VAL 56 3.680 -4.253 1.824 343 HA VAL 56 HA VAL 56 4.583 -6.953 2.705 344 HB VAL 56 HB VAL 56 3.859 -5.985 -0.099 345 HG11 VAL 56 1HG1 VAL 56 4.038 -8.819 1.010 346 HG12 VAL 56 2HG1 VAL 56 3.649 -8.356 -0.661 347 HG13 VAL 56 3HG1 VAL 56 5.253 -8.059 -0.031 348 HG21 VAL 56 3HG2 VAL 56 1.686 -7.058 0.157 349 HG22 VAL 56 1HG2 VAL 56 2.040 -7.439 1.854 350 HG23 VAL 56 2HG2 VAL 56 1.869 -5.750 1.313 351 H GLU 57 H GLU 57 6.574 -7.420 2.876 352 HA GLU 57 HA GLU 57 8.641 -5.907 1.535 353 HB3 GLU 57 1HB GLU 57 9.138 -8.468 3.081 354 HG3 GLU 57 1HG GLU 57 10.462 -5.749 2.787 355 H ASP 58 H ASP 58 7.969 -6.208 -0.577 356 HA ASP 58 HA ASP 58 7.443 -8.759 -1.765 357 HB3 ASP 58 1HB ASP 58 7.566 -6.101 -3.209 358 H GLY 59 H GLY 59 10.185 -8.430 -0.965 359 HA2 GLY 59 1HA GLY 59 11.669 -8.884 -3.548 360 HA3 GLY 59 2HA GLY 59 12.419 -8.283 -2.062 361 HA PRO 60 HA PRO 60 13.627 -12.159 -0.798 362 HB3 PRO 60 1HB PRO 60 13.861 -12.379 1.534 363 HG3 PRO 60 1HG PRO 60 14.428 -10.111 0.974 364 HD3 PRO 60 1HD PRO 60 12.875 -8.697 -0.053 365 H GLY 61 H GLY 61 10.110 -11.934 0.010 366 HA2 GLY 61 1HA GLY 61 9.404 -14.394 -1.287 367 HA3 GLY 61 2HA GLY 61 9.652 -14.698 0.409 368 H ARG 62 H ARG 62 7.254 -15.238 -0.542 369 HA ARG 62 HA ARG 62 5.002 -14.848 -0.587 370 HB3 ARG 62 1HB ARG 62 4.038 -13.745 1.412 371 HG3 ARG 62 1HG ARG 62 6.331 -15.663 2.015 372 HD3 ARG 62 1HD ARG 62 5.346 -14.620 4.051 373 HE ARG 62 HE ARG 62 3.057 -14.254 3.789 374 HH11 ARG 62 1HH1 ARG 62 3.595 -17.738 3.372 375 HH12 ARG 62 2HH1 ARG 62 1.897 -18.081 3.526 376 HH21 ARG 62 1HH2 ARG 62 1.005 -14.739 3.962 377 HH22 ARG 62 2HH2 ARG 62 0.388 -16.366 3.901 378 H ARG 63 H ARG 63 6.111 -13.465 -2.493 379 HA ARG 63 HA ARG 63 5.832 -10.616 -2.449 380 HB3 ARG 63 1HB ARG 63 6.383 -10.841 -4.899 381 HG3 ARG 63 1HG ARG 63 8.188 -12.332 -2.925 382 HD3 ARG 63 1HD ARG 63 9.976 -11.383 -4.526 383 HE ARG 63 HE ARG 63 8.474 -13.463 -5.969 384 HH11 ARG 63 1HH1 ARG 63 10.994 -12.861 -3.529 385 HH12 ARG 63 2HH1 ARG 63 11.432 -14.540 -3.459 386 HH21 ARG 63 1HH2 ARG 63 9.140 -15.600 -5.829 387 HH22 ARG 63 2HH2 ARG 63 10.462 -16.035 -4.796 388 H LEU 64 H LEU 64 3.650 -10.419 -1.772 389 HA LEU 64 HA LEU 64 1.336 -11.357 -3.048 390 HB3 LEU 64 1HB LEU 64 1.662 -8.796 -1.473 391 HG LEU 64 HG LEU 64 -0.625 -9.150 -2.242 392 HD11 LEU 64 1HD1 LEU 64 -0.862 -11.476 -2.667 393 HD12 LEU 64 2HD1 LEU 64 -1.926 -11.156 -1.297 394 HD13 LEU 64 3HD1 LEU 64 -0.340 -11.920 -1.028 395 HD21 LEU 64 3HD2 LEU 64 -1.714 -9.185 0.007 396 HD22 LEU 64 1HD2 LEU 64 -0.266 -8.176 -0.038 397 HD23 LEU 64 2HD2 LEU 64 -0.192 -9.779 0.706 398 H GLY 65 H GLY 65 3.295 -8.546 -4.019 399 HA2 GLY 65 1HA GLY 65 1.326 -7.277 -5.671 400 HA3 GLY 65 2HA GLY 65 3.090 -7.132 -5.836 401 H ARG 66 H ARG 66 3.234 -10.163 -6.296 402 HA ARG 66 HA ARG 66 2.790 -10.293 -9.153 403 HB3 ARG 66 1HB ARG 66 3.176 -12.538 -7.125 404 HG3 ARG 66 1HG ARG 66 3.642 -12.413 -10.142 405 HD3 ARG 66 1HD ARG 66 4.149 -14.867 -9.863 406 HE ARG 66 HE ARG 66 5.944 -12.746 -9.373 407 HH11 ARG 66 1HH1 ARG 66 5.812 -16.255 -8.897 408 HH12 ARG 66 2HH1 ARG 66 7.532 -16.433 -9.044 409 HH21 ARG 66 1HH2 ARG 66 8.165 -13.051 -9.527 410 HH22 ARG 66 2HH2 ARG 66 8.842 -14.639 -9.384 411 H SER 67 H SER 67 0.884 -11.379 -6.306 412 HA SER 67 HA SER 67 -1.267 -12.522 -7.932 413 HB3 SER 67 1HB SER 67 -2.218 -13.150 -5.801 414 HG SER 67 HG SER 67 -0.392 -14.411 -6.200 415 H PHE 68 H PHE 68 -0.535 -9.352 -6.917 416 HA PHE 68 HA PHE 68 -3.314 -8.454 -7.527 417 HB3 PHE 68 1HB PHE 68 -2.165 -6.144 -7.142 418 HD1 PHE 68 HD2 PHE 68 -1.306 -8.309 -4.309 419 HD2 PHE 68 HD1 PHE 68 -4.355 -5.927 -6.152 420 HE1 PHE 68 HE2 PHE 68 -2.628 -8.419 -2.212 421 HE2 PHE 68 HE1 PHE 68 -5.694 -5.996 -4.061 422 HZ PHE 68 HZ PHE 68 -4.851 -7.250 -2.091 423 H GLN 69 H GLN 69 -0.619 -9.407 -9.242 424 HA GLN 69 HA GLN 69 0.211 -9.055 -11.330 425 HB3 GLN 69 1HB GLN 69 -1.472 -8.682 -13.066 426 HG3 GLN 69 1HG GLN 69 -1.148 -10.935 -11.996 427 HE21 GLN 69 2HE2 GLN 69 -4.052 -9.265 -10.557 428 HE22 GLN 69 1HE2 GLN 69 -4.225 -10.501 -9.313 429 H VAL 70 H VAL 70 0.952 -7.139 -9.692 430 HA VAL 70 HA VAL 70 0.309 -4.459 -10.147 431 HB VAL 70 HB VAL 70 2.684 -5.924 -8.996 432 HG11 VAL 70 1HG1 VAL 70 3.820 -3.952 -9.827 433 HG12 VAL 70 2HG1 VAL 70 2.523 -2.910 -9.224 434 HG13 VAL 70 3HG1 VAL 70 3.577 -3.790 -8.081 435 HG21 VAL 70 3HG2 VAL 70 0.457 -5.727 -7.799 436 HG22 VAL 70 1HG2 VAL 70 1.836 -5.068 -6.921 437 HG23 VAL 70 2HG2 VAL 70 0.708 -3.970 -7.744 438 H LYS 71 H LYS 71 1.077 -2.751 -11.292 439 HA LYS 71 HA LYS 71 2.126 -3.280 -13.955 440 HB3 LYS 71 1HB LYS 71 2.055 -0.657 -13.941 441 HG3 LYS 71 1HG LYS 71 0.317 -1.989 -15.108 442 HD3 LYS 71 1HD LYS 71 -2.006 -1.717 -13.843 443 HE3 LYS 71 1HE LYS 71 -1.742 -4.060 -12.807 444 HZ1 LYS 71 3HZ LYS 71 -1.532 -5.128 -14.959 445 HZ2 LYS 71 1HZ LYS 71 -0.979 -3.769 -15.661 446 HZ3 LYS 71 2HZ LYS 71 -2.509 -3.821 -15.084 447 H LEU 72 H LEU 72 3.337 -1.083 -11.382 448 HA LEU 72 HA LEU 72 6.145 -1.745 -12.130 449 HB3 LEU 72 1HB LEU 72 5.215 0.959 -11.084 450 HG LEU 72 HG LEU 72 7.724 0.287 -10.977 451 HD11 LEU 72 1HD1 LEU 72 8.980 0.592 -13.059 452 HD12 LEU 72 2HD1 LEU 72 7.456 0.757 -13.972 453 HD13 LEU 72 3HD1 LEU 72 7.878 -0.785 -13.195 454 HD21 LEU 72 3HD2 LEU 72 6.889 2.780 -12.499 455 HD22 LEU 72 1HD2 LEU 72 8.440 2.550 -11.659 456 HD23 LEU 72 2HD2 LEU 72 6.941 2.610 -10.726 457 H TRP 73 H TRP 73 7.490 -2.119 -10.325 458 HA TRP 73 HA TRP 73 6.286 -3.472 -8.262 459 HB3 TRP 73 1HB TRP 73 8.969 -2.115 -8.155 460 HD1 TRP 73 HD TRP 73 7.698 -5.720 -7.401 461 HE1 TRP 73 HE1 TRP 73 8.663 -6.444 -5.135 462 HE3 TRP 73 HE3 TRP 73 9.934 -1.330 -6.106 463 HZ2 TRP 73 HZ2 TRP 73 10.590 -5.343 -3.212 464 HZ3 TRP 73 HZ3 TRP 73 11.294 -1.168 -4.050 465 HH2 TRP 73 HH TRP 73 11.733 -3.182 -2.664 466 HA PRO 74 HA PRO 74 6.338 0.029 -5.104 467 HB3 PRO 74 1HB PRO 74 8.104 1.488 -5.462 468 HG3 PRO 74 1HG PRO 74 8.547 2.369 -7.664 469 HD3 PRO 74 1HD PRO 74 8.703 0.032 -7.810 470 H THR 75 H THR 75 4.234 -0.890 -5.723 471 HA THR 75 HA THR 75 2.164 1.147 -6.491 472 HB THR 75 HB THR 75 2.271 -1.871 -7.015 473 HG1 THR 75 HG1 THR 75 3.179 -0.677 -8.622 474 HG21 THR 75 3HG2 THR 75 -0.045 -1.452 -6.344 475 HG22 THR 75 1HG2 THR 75 0.027 -1.588 -8.098 476 HG23 THR 75 2HG2 THR 75 -0.106 0.008 -7.355 477 H PHE 76 H PHE 76 0.390 1.219 -5.219 478 HA PHE 76 HA PHE 76 0.167 -0.681 -2.991 479 HB3 PHE 76 1HB PHE 76 0.975 0.983 -1.649 480 HD1 PHE 76 HD1 PHE 76 2.699 2.042 -3.107 481 HD2 PHE 76 HD2 PHE 76 -1.311 3.581 -2.628 482 HE1 PHE 76 HE1 PHE 76 3.437 4.232 -4.009 483 HE2 PHE 76 HE2 PHE 76 -0.541 5.782 -3.459 484 HZ PHE 76 HZ PHE 76 1.794 6.060 -4.252 485 H VAL 77 H VAL 77 -1.739 -1.530 -2.817 486 HA VAL 77 HA VAL 77 -3.959 -0.613 -4.601 487 HB VAL 77 HB VAL 77 -3.545 -3.352 -3.396 488 HG11 VAL 77 1HG1 VAL 77 -5.921 -2.723 -4.020 489 HG12 VAL 77 2HG1 VAL 77 -5.370 -2.408 -5.661 490 HG13 VAL 77 3HG1 VAL 77 -5.278 -4.033 -5.003 491 HG21 VAL 77 3HG2 VAL 77 -2.987 -2.401 -6.240 492 HG22 VAL 77 1HG2 VAL 77 -1.759 -2.757 -5.031 493 HG23 VAL 77 2HG2 VAL 77 -2.801 -4.050 -5.625 494 H PHE 78 H PHE 78 -5.712 0.226 -3.729 495 HA PHE 78 HA PHE 78 -6.050 0.300 -0.785 496 HB3 PHE 78 1HB PHE 78 -7.904 1.859 -1.296 497 HD1 PHE 78 HD2 PHE 78 -5.267 2.385 -3.896 498 HD2 PHE 78 HD1 PHE 78 -6.677 3.487 0.034 499 HE1 PHE 78 HE2 PHE 78 -3.512 4.109 -3.736 500 HE2 PHE 78 HE1 PHE 78 -4.988 5.280 0.111 501 HZ PHE 78 HZ PHE 78 -3.419 5.614 -1.811 502 H LEU 79 H LEU 79 -7.143 -1.259 0.195 503 HA LEU 79 HA LEU 79 -9.272 -2.731 -1.258 504 HB3 LEU 79 1HB LEU 79 -8.996 -4.316 0.784 505 HG LEU 79 HG LEU 79 -8.410 -4.995 -1.461 506 HD11 LEU 79 1HD1 LEU 79 -5.980 -4.861 -2.162 507 HD12 LEU 79 2HD1 LEU 79 -5.745 -3.671 -0.872 508 HD13 LEU 79 3HD1 LEU 79 -6.887 -3.344 -2.209 509 HD21 LEU 79 3HD2 LEU 79 -7.994 -6.478 0.416 510 HD22 LEU 79 1HD2 LEU 79 -6.380 -5.758 0.662 511 HD23 LEU 79 2HD2 LEU 79 -6.751 -6.658 -0.833 512 H ARG 80 H ARG 80 -11.148 -3.168 -0.219 513 HA ARG 80 HA ARG 80 -11.859 -2.309 2.415 514 HB3 ARG 80 1HB ARG 80 -13.439 -0.778 0.331 515 HG3 ARG 80 1HG ARG 80 -12.849 -0.396 3.296 516 HD3 ARG 80 1HD ARG 80 -14.359 1.464 1.421 517 HE ARG 80 HE ARG 80 -14.852 1.172 4.067 518 HH11 ARG 80 1HH1 ARG 80 -13.231 3.884 2.377 519 HH12 ARG 80 2HH1 ARG 80 -13.772 5.007 3.581 520 HH21 ARG 80 1HH2 ARG 80 -15.471 2.728 5.539 521 HH22 ARG 80 2HH2 ARG 80 -14.973 4.376 5.339 522 H ASP 81 H ASP 81 -13.614 -3.432 3.098 523 HA ASP 81 HA ASP 81 -15.108 -5.130 3.206 524 HB3 ASP 81 1HB ASP 81 -15.854 -4.609 0.300 525 H GLY 82 H GLY 82 -12.329 -5.587 2.161 526 HA2 GLY 82 1HA GLY 82 -11.096 -7.554 1.894 527 HA3 GLY 82 2HA GLY 82 -12.578 -8.439 1.498 528 H ARG 83 H ARG 83 -12.792 -5.889 -0.541 529 HA ARG 83 HA ARG 83 -11.399 -7.259 -2.772 530 HB3 ARG 83 1HB ARG 83 -13.562 -5.169 -3.086 531 HG3 ARG 83 1HG ARG 83 -13.280 -7.811 -4.552 532 HD3 ARG 83 1HD ARG 83 -15.279 -6.229 -4.877 533 HE ARG 83 HE ARG 83 -13.123 -4.401 -5.535 534 HH11 ARG 83 1HH1 ARG 83 -16.462 -5.052 -6.522 535 HH12 ARG 83 2HH1 ARG 83 -16.683 -3.428 -7.091 536 HH21 ARG 83 1HH2 ARG 83 -13.434 -2.429 -6.254 537 HH22 ARG 83 2HH2 ARG 83 -14.966 -1.924 -6.939 538 H GLU 84 H GLU 84 -10.342 -5.936 -4.289 539 HA GLU 84 HA GLU 84 -9.071 -3.439 -3.480 540 HB3 GLU 84 1HB GLU 84 -9.308 -4.946 -6.104 541 HG3 GLU 84 1HG GLU 84 -7.891 -2.307 -5.630 542 H VAL 85 H VAL 85 -9.890 -1.461 -3.508 543 HA VAL 85 HA VAL 85 -12.369 -0.848 -5.090 544 HB VAL 85 HB VAL 85 -12.467 1.240 -3.700 545 HG11 VAL 85 1HG1 VAL 85 -12.637 -1.392 -2.190 546 HG12 VAL 85 2HG1 VAL 85 -13.495 0.117 -1.804 547 HG13 VAL 85 3HG1 VAL 85 -13.882 -0.753 -3.297 548 HG21 VAL 85 3HG2 VAL 85 -10.045 1.164 -2.856 549 HG22 VAL 85 1HG2 VAL 85 -11.278 1.395 -1.603 550 HG23 VAL 85 2HG2 VAL 85 -10.539 -0.192 -1.815 551 H ALA 86 H ALA 86 -8.958 -0.206 -4.865 552 HA ALA 86 HA ALA 86 -8.767 1.139 -7.395 553 HB1 ALA 86 3HB ALA 86 -8.428 2.775 -4.832 554 HB2 ALA 86 1HB ALA 86 -7.933 3.338 -6.432 555 HB3 ALA 86 2HB ALA 86 -9.649 3.067 -6.099 556 H ARG 87 H ARG 87 -6.451 2.096 -7.582 557 HA ARG 87 HA ARG 87 -4.560 1.384 -5.534 558 HB3 ARG 87 1HB ARG 87 -4.612 -0.744 -6.698 559 HG3 ARG 87 1HG ARG 87 -3.626 0.797 -9.132 560 HD3 ARG 87 1HD ARG 87 -2.450 -1.328 -8.415 561 HE ARG 87 HE ARG 87 -5.087 -2.453 -8.519 562 HH11 ARG 87 1HH1 ARG 87 -1.852 -3.312 -9.711 563 HH12 ARG 87 2HH1 ARG 87 -2.253 -5.015 -9.746 564 HH21 ARG 87 1HH2 ARG 87 -5.443 -4.632 -8.460 565 HH22 ARG 87 2HH2 ARG 87 -4.211 -5.738 -9.067 566 H VAL 88 H VAL 88 -2.542 2.359 -5.822 567 HA VAL 88 HA VAL 88 -2.311 4.449 -7.983 568 HB VAL 88 HB VAL 88 -1.668 4.673 -5.049 569 HG11 VAL 88 1HG1 VAL 88 0.156 5.823 -6.311 570 HG12 VAL 88 2HG1 VAL 88 -1.058 6.666 -7.299 571 HG13 VAL 88 3HG1 VAL 88 -0.890 7.037 -5.568 572 HG21 VAL 88 3HG2 VAL 88 -3.165 6.468 -4.862 573 HG22 VAL 88 1HG2 VAL 88 -3.480 6.508 -6.623 574 HG23 VAL 88 2HG2 VAL 88 -4.047 5.148 -5.631 575 H VAL 89 H VAL 89 -0.299 4.580 -8.895 576 HA VAL 89 HA VAL 89 1.896 2.845 -7.904 577 HB VAL 89 HB VAL 89 0.793 1.453 -9.497 578 HG11 VAL 89 1HG1 VAL 89 0.360 2.045 -11.843 579 HG12 VAL 89 2HG1 VAL 89 -0.602 2.999 -10.721 580 HG13 VAL 89 3HG1 VAL 89 0.817 3.722 -11.518 581 HG21 VAL 89 3HG2 VAL 89 2.519 1.030 -11.120 582 HG22 VAL 89 1HG2 VAL 89 3.092 2.703 -11.069 583 HG23 VAL 89 2HG2 VAL 89 3.338 1.637 -9.671 584 H ARG 90 H ARG 90 3.900 3.637 -8.218 585 HA ARG 90 HA ARG 90 5.561 5.166 -8.551 586 HB3 ARG 90 1HB ARG 90 4.194 5.773 -11.194 587 HG3 ARG 90 1HG ARG 90 7.135 5.464 -10.440 588 HD3 ARG 90 1HD ARG 90 5.821 6.597 -12.950 589 HE ARG 90 HE ARG 90 8.495 6.791 -11.992 590 HH11 ARG 90 1HH1 ARG 90 6.833 5.990 -15.007 591 HH12 ARG 90 2HH1 ARG 90 8.187 6.486 -15.987 592 HH21 ARG 90 1HH2 ARG 90 10.217 7.377 -13.312 593 HH22 ARG 90 2HH2 ARG 90 10.064 7.262 -15.042 594 HA PRO 91 HA PRO 91 2.423 8.504 -7.120 595 HB3 PRO 91 1HB PRO 91 2.464 7.960 -4.977 596 HG3 PRO 91 1HG PRO 91 4.251 6.655 -4.072 597 HD3 PRO 91 1HD PRO 91 3.604 5.539 -6.066 598 H GLY 92 H GLY 92 2.645 10.478 -8.064 599 HA2 GLY 92 1HA GLY 92 5.260 11.559 -8.817 600 HA3 GLY 92 2HA GLY 92 3.649 12.205 -9.226 601 H SER 93 H SER 93 2.683 12.449 -6.524 602 HA SER 93 HA SER 93 4.385 14.093 -4.877 603 HB3 SER 93 1HB SER 93 3.968 15.681 -6.742 604 HG SER 93 HG SER 93 1.856 16.334 -7.186 605 H ALA 94 H ALA 94 3.136 14.890 -2.956 606 HA ALA 94 HA ALA 94 1.082 13.165 -1.983 607 HB1 ALA 94 3HB ALA 94 2.547 14.556 -0.560 608 HB2 ALA 94 1HB ALA 94 1.758 16.029 -1.174 609 HB3 ALA 94 2HB ALA 94 0.837 14.846 -0.219 610 H SER 95 H SER 95 0.825 16.169 -3.957 611 HA SER 95 HA SER 95 -1.989 16.455 -3.776 612 HB3 SER 95 1HB SER 95 -1.815 17.778 -5.808 613 HG SER 95 HG SER 95 -0.057 19.152 -5.206 614 H VAL 96 H VAL 96 -0.165 14.042 -5.567 615 HA VAL 96 HA VAL 96 -2.587 13.128 -7.075 616 HB VAL 96 HB VAL 96 0.321 12.222 -7.102 617 HG11 VAL 96 1HG1 VAL 96 -2.018 11.142 -8.739 618 HG12 VAL 96 2HG1 VAL 96 -0.294 10.797 -9.030 619 HG13 VAL 96 3HG1 VAL 96 -1.062 10.251 -7.540 620 HG21 VAL 96 3HG2 VAL 96 -1.373 13.618 -9.233 621 HG22 VAL 96 1HG2 VAL 96 -0.096 14.376 -8.266 622 HG23 VAL 96 2HG2 VAL 96 0.315 13.099 -9.414 623 H LEU 97 H LEU 97 -0.349 12.025 -4.487 624 HA LEU 97 HA LEU 97 -1.704 9.505 -4.110 625 HB3 LEU 97 1HB LEU 97 -0.214 10.570 -1.826 626 HG LEU 97 HG LEU 97 0.329 8.291 -3.794 627 HD11 LEU 97 1HD1 LEU 97 2.393 9.011 -2.686 628 HD12 LEU 97 2HD1 LEU 97 1.886 7.389 -2.214 629 HD13 LEU 97 3HD1 LEU 97 1.633 8.743 -1.087 630 HD21 LEU 97 3HD2 LEU 97 -0.433 6.945 -1.706 631 HD22 LEU 97 1HD2 LEU 97 -1.703 7.835 -2.538 632 HD23 LEU 97 2HD2 LEU 97 -0.987 8.478 -1.025 633 H GLU 98 H GLU 98 -1.930 12.595 -2.290 634 HA GLU 98 HA GLU 98 -3.878 11.702 -0.395 635 HB3 GLU 98 1HB GLU 98 -4.442 14.042 -0.092 636 HG3 GLU 98 1HG GLU 98 -1.431 13.773 -0.145 637 H GLU 99 H GLU 99 -4.236 13.060 -3.682 638 HA GLU 99 HA GLU 99 -7.037 13.467 -3.733 639 HB3 GLU 99 1HB GLU 99 -4.991 12.804 -5.879 640 HG3 GLU 99 1HG GLU 99 -7.942 13.339 -6.216 641 H ALA 100 H ALA 100 -5.122 10.515 -4.299 642 HA ALA 100 HA ALA 100 -7.502 8.905 -4.914 643 HB1 ALA 100 3HB ALA 100 -4.639 8.130 -4.194 644 HB2 ALA 100 1HB ALA 100 -5.897 7.020 -4.802 645 HB3 ALA 100 2HB ALA 100 -5.291 8.345 -5.831 646 H PHE 101 H PHE 101 -5.462 9.498 -1.983 647 HA PHE 101 HA PHE 101 -6.676 7.536 -0.335 648 HB3 PHE 101 1HB PHE 101 -6.087 9.537 1.409 649 HD1 PHE 101 HD1 PHE 101 -3.583 7.944 -1.008 650 HD2 PHE 101 HD2 PHE 101 -5.338 7.991 2.966 651 HE1 PHE 101 HE1 PHE 101 -1.904 6.380 -0.209 652 HE2 PHE 101 HE2 PHE 101 -3.563 6.452 3.739 653 HZ PHE 101 HZ PHE 101 -1.808 5.698 2.096 654 H GLU 102 H GLU 102 -7.546 11.008 -0.666 655 HA GLU 102 HA GLU 102 -9.805 10.888 1.059 656 HB3 GLU 102 1HB GLU 102 -8.955 13.017 0.506 657 HG3 GLU 102 1HG GLU 102 -8.769 12.210 -2.194 658 H SER 103 H SER 103 -9.531 10.022 -2.362 659 HA SER 103 HA SER 103 -12.365 9.800 -2.820 660 HB3 SER 103 1HB SER 103 -10.112 8.340 -4.261 661 HG SER 103 HG SER 103 -11.619 8.561 -6.023 662 H LEU 104 H LEU 104 -9.937 7.560 -1.481 663 HA LEU 104 HA LEU 104 -11.932 5.321 -1.503 664 HB3 LEU 104 1HB LEU 104 -9.951 3.969 -0.707 665 HG LEU 104 HG LEU 104 -9.099 3.486 -2.738 666 HD11 LEU 104 1HD1 LEU 104 -11.538 4.988 -3.723 667 HD12 LEU 104 2HD1 LEU 104 -11.640 3.478 -2.773 668 HD13 LEU 104 3HD1 LEU 104 -10.849 3.480 -4.353 669 HD21 LEU 104 3HD2 LEU 104 -7.935 5.588 -3.185 670 HD22 LEU 104 1HD2 LEU 104 -9.482 6.307 -3.749 671 HD23 LEU 104 2HD2 LEU 104 -8.740 4.995 -4.639 672 H VAL 105 H VAL 105 -10.412 7.475 0.782 673 HA VAL 105 HA VAL 105 -11.324 6.063 3.128 674 HB VAL 105 HB VAL 105 -9.578 8.055 2.820 675 HG11 VAL 105 1HG1 VAL 105 -11.314 9.744 2.180 676 HG12 VAL 105 2HG1 VAL 105 -11.972 9.631 3.821 677 HG13 VAL 105 3HG1 VAL 105 -10.323 10.205 3.570 678 HG21 VAL 105 3HG2 VAL 105 -9.566 8.347 5.169 679 HG22 VAL 105 1HG2 VAL 105 -11.270 7.821 5.320 680 HG23 VAL 105 2HG2 VAL 105 -10.012 6.669 4.821 681 H GLY 106 H GLY 106 -12.849 8.236 0.860 682 HA2 GLY 106 1HA GLY 106 -15.171 8.269 0.487 683 HA3 GLY 106 2HA GLY 106 -15.488 7.981 2.223 684 H GLU 107 H GLU 107 -13.133 10.290 2.189 685 HA GLU 107 HA GLU 107 -14.902 12.465 2.879 686 HB3 GLU 107 1HB GLU 107 -12.622 13.758 2.729 687 HG3 GLU 107 1HG GLU 107 -11.775 12.673 4.837 688 H GLY 108 H GLY 108 -13.441 11.470 -0.141 689 HA2 GLY 108 1HA GLY 108 -14.163 13.951 -1.568 690 HA3 GLY 108 2HA GLY 108 -13.415 12.485 -2.237 Start of MODEL 11 1 H1 MET 1 H MET 1 3.515 5.093 5.602 2 HA MET 1 HA MET 1 4.092 6.716 7.833 3 HB3 MET 1 1HB MET 1 3.959 5.128 9.701 4 HG3 MET 1 1HG MET 1 1.255 5.369 8.310 5 HE1 MET 1 3HE MET 1 -1.004 5.606 11.460 6 HE2 MET 1 1HE MET 1 -0.291 6.881 10.451 7 HE3 MET 1 2HE MET 1 -0.969 5.423 9.691 8 H LYS 2 H LYS 2 6.258 6.587 8.342 9 HA LYS 2 HA LYS 2 7.833 5.285 6.328 10 HB3 LYS 2 1HB LYS 2 8.231 7.571 7.080 11 HG3 LYS 2 1HG LYS 2 9.199 6.307 9.695 12 HD3 LYS 2 1HD LYS 2 10.652 8.188 8.962 13 HE3 LYS 2 1HE LYS 2 8.053 9.787 9.109 14 HZ1 LYS 2 3HZ LYS 2 10.837 10.728 8.666 15 HZ2 LYS 2 1HZ LYS 2 9.956 11.001 10.023 16 HZ3 LYS 2 2HZ LYS 2 9.493 11.668 8.615 17 H THR 3 H THR 3 6.832 3.764 9.063 18 HA THR 3 HA THR 3 9.201 2.545 10.116 19 HB THR 3 HB THR 3 7.532 0.854 11.050 20 HG1 THR 3 HG1 THR 3 5.341 1.520 10.803 21 HG21 THR 3 3HG2 THR 3 6.563 2.423 12.617 22 HG22 THR 3 1HG2 THR 3 6.879 3.796 11.535 23 HG23 THR 3 2HG2 THR 3 8.231 2.914 12.269 24 H ARG 4 H ARG 4 9.662 0.209 10.118 25 HA ARG 4 HA ARG 4 10.448 -0.483 7.513 26 HB3 ARG 4 1HB ARG 4 11.674 -1.017 9.604 27 HG3 ARG 4 1HG ARG 4 11.371 -3.156 10.695 28 HD3 ARG 4 1HD ARG 4 9.334 -2.950 12.006 29 HE ARG 4 HE ARG 4 11.225 -0.921 11.890 30 HH11 ARG 4 1HH1 ARG 4 7.865 -1.202 12.981 31 HH12 ARG 4 2HH1 ARG 4 8.056 0.061 14.160 32 HH21 ARG 4 1HH2 ARG 4 11.383 0.742 13.387 33 HH22 ARG 4 2HH2 ARG 4 10.010 1.138 14.379 34 H TYR 5 H TYR 5 10.063 -2.101 6.124 35 HA TYR 5 HA TYR 5 7.457 -3.195 5.751 36 HB3 TYR 5 1HB TYR 5 8.913 -4.691 4.100 37 HD1 TYR 5 HD2 TYR 5 9.563 -0.973 4.249 38 HD2 TYR 5 HD1 TYR 5 7.415 -4.237 2.451 39 HE1 TYR 5 HE2 TYR 5 8.618 0.591 2.564 40 HE2 TYR 5 HE1 TYR 5 6.482 -2.669 0.731 41 HH TYR 5 HH TYR 5 7.413 0.800 0.630 42 H SER 6 H SER 6 6.825 -5.451 5.517 43 HA SER 6 HA SER 6 8.287 -7.283 7.365 44 HB3 SER 6 1HB SER 6 5.277 -6.969 7.166 45 HG SER 6 HG SER 6 5.468 -8.290 9.140 46 H ALA 7 H ALA 7 8.551 -9.338 6.793 47 HA ALA 7 HA ALA 7 7.677 -10.335 4.170 48 HB1 ALA 7 3HB ALA 7 9.928 -10.809 5.089 49 HB2 ALA 7 1HB ALA 7 9.201 -11.610 6.500 50 HB3 ALA 7 2HB ALA 7 9.018 -12.312 4.884 51 H GLU 8 H GLU 8 6.255 -10.284 7.297 52 HA GLU 8 HA GLU 8 4.999 -12.919 7.130 53 HB3 GLU 8 1HB GLU 8 4.135 -12.395 9.366 54 HG3 GLU 8 1HG GLU 8 7.076 -11.627 9.134 55 H ALA 9 H ALA 9 4.171 -11.337 4.996 56 HA ALA 9 HA ALA 9 1.590 -10.127 5.470 57 HB1 ALA 9 3HB ALA 9 3.014 -9.429 3.607 58 HB2 ALA 9 1HB ALA 9 2.930 -11.060 2.898 59 HB3 ALA 9 2HB ALA 9 1.459 -10.071 2.996 60 HA PRO 10 HA PRO 10 -1.110 -13.676 5.195 61 HB3 PRO 10 1HB PRO 10 -2.815 -12.167 5.718 62 HG3 PRO 10 1HG PRO 10 -2.936 -10.008 4.625 63 HD3 PRO 10 1HD PRO 10 -0.886 -10.230 5.774 64 H ALA 11 H ALA 11 -2.246 -15.059 3.700 65 HA ALA 11 HA ALA 11 -1.347 -15.039 0.880 66 HB1 ALA 11 3HB ALA 11 -1.611 -17.191 2.111 67 HB2 ALA 11 1HB ALA 11 -3.322 -16.836 2.396 68 HB3 ALA 11 2HB ALA 11 -2.729 -17.103 0.737 69 H ARG 12 H ARG 12 -2.867 -14.732 -0.901 70 HA ARG 12 HA ARG 12 -4.499 -12.470 -0.496 71 HB3 ARG 12 1HB ARG 12 -5.105 -14.075 -2.936 72 HG3 ARG 12 1HG ARG 12 -4.478 -12.045 -4.100 73 HD3 ARG 12 1HD ARG 12 -6.035 -11.172 -1.642 74 HE ARG 12 HE ARG 12 -5.436 -9.758 -4.007 75 HH11 ARG 12 1HH1 ARG 12 -8.267 -10.526 -2.030 76 HH12 ARG 12 2HH1 ARG 12 -9.158 -9.149 -2.583 77 HH21 ARG 12 1HH2 ARG 12 -6.640 -8.057 -4.752 78 HH22 ARG 12 2HH2 ARG 12 -8.263 -7.790 -4.183 79 H ASP 13 H ASP 13 -5.420 -15.877 -0.402 80 HA ASP 13 HA ASP 13 -8.291 -15.466 -0.425 81 HB3 ASP 13 1HB ASP 13 -6.642 -17.757 0.712 82 H GLU 14 H GLU 14 -5.846 -15.619 2.172 83 HA GLU 14 HA GLU 14 -7.759 -15.495 4.355 84 HB3 GLU 14 1HB GLU 14 -4.760 -14.978 4.312 85 HG3 GLU 14 1HG GLU 14 -6.677 -15.638 6.589 86 H LEU 15 H LEU 15 -5.845 -13.164 2.510 87 HA LEU 15 HA LEU 15 -6.462 -10.760 3.900 88 HB3 LEU 15 1HB LEU 15 -5.899 -11.328 0.958 89 HG LEU 15 HG LEU 15 -5.629 -8.744 2.536 90 HD11 LEU 15 1HD1 LEU 15 -4.131 -7.978 0.711 91 HD12 LEU 15 2HD1 LEU 15 -4.150 -9.607 0.016 92 HD13 LEU 15 3HD1 LEU 15 -3.440 -9.308 1.628 93 HD21 LEU 15 3HD2 LEU 15 -7.673 -8.831 1.143 94 HD22 LEU 15 1HD2 LEU 15 -6.721 -9.386 -0.253 95 HD23 LEU 15 2HD2 LEU 15 -6.497 -7.758 0.398 96 H ASP 16 H ASP 16 -8.262 -12.557 1.391 97 HA ASP 16 HA ASP 16 -10.314 -10.644 0.957 98 HB3 ASP 16 1HB ASP 16 -10.623 -13.649 0.700 99 H ARG 17 H ARG 17 -9.768 -12.536 3.774 100 HA ARG 17 HA ARG 17 -12.546 -12.586 4.693 101 HB3 ARG 17 1HB ARG 17 -11.631 -13.381 6.803 102 HG3 ARG 17 1HG ARG 17 -10.459 -15.404 6.200 103 HD3 ARG 17 1HD ARG 17 -12.391 -14.974 3.897 104 HE ARG 17 HE ARG 17 -12.719 -17.310 5.532 105 HH11 ARG 17 1HH1 ARG 17 -10.507 -16.161 2.969 106 HH12 ARG 17 2HH1 ARG 17 -10.136 -17.785 2.480 107 HH21 ARG 17 1HH2 ARG 17 -12.157 -19.359 4.796 108 HH22 ARG 17 2HH2 ARG 17 -11.050 -19.523 3.467 109 H LEU 18 H LEU 18 -10.005 -10.172 4.632 110 HA LEU 18 HA LEU 18 -10.894 -8.831 7.063 111 HB3 LEU 18 1HB LEU 18 -8.601 -8.679 6.132 112 HG LEU 18 HG LEU 18 -9.345 -7.787 3.751 113 HD11 LEU 18 1HD1 LEU 18 -9.148 -5.315 3.559 114 HD12 LEU 18 2HD1 LEU 18 -9.260 -5.194 5.332 115 HD13 LEU 18 3HD1 LEU 18 -10.621 -5.811 4.383 116 HD21 LEU 18 3HD2 LEU 18 -7.169 -6.671 3.518 117 HD22 LEU 18 1HD2 LEU 18 -7.026 -8.137 4.496 118 HD23 LEU 18 2HD2 LEU 18 -7.031 -6.540 5.286 119 H ALA 19 H ALA 19 -11.735 -6.546 7.105 120 HA ALA 19 HA ALA 19 -13.737 -6.070 4.924 121 HB1 ALA 19 3HB ALA 19 -14.770 -7.274 6.822 122 HB2 ALA 19 1HB ALA 19 -14.268 -5.971 7.926 123 HB3 ALA 19 2HB ALA 19 -15.436 -5.642 6.622 124 H GLY 20 H GLY 20 -11.554 -4.539 7.240 125 HA2 GLY 20 1HA GLY 20 -12.786 -1.915 6.985 126 HA3 GLY 20 2HA GLY 20 -11.260 -2.296 7.803 127 HA PRO 21 HA PRO 21 -10.334 -0.116 3.709 128 HB3 PRO 21 1HB PRO 21 -11.307 1.925 4.181 129 HG3 PRO 21 1HG PRO 21 -11.650 2.651 6.421 130 HD3 PRO 21 1HD PRO 21 -12.626 0.508 6.409 131 H THR 22 H THR 22 -8.481 -1.167 3.339 132 HA THR 22 HA THR 22 -6.100 -0.695 5.109 133 HB THR 22 HB THR 22 -7.081 -3.348 3.998 134 HG1 THR 22 HG1 THR 22 -7.176 -3.821 6.236 135 HG21 THR 22 3HG2 THR 22 -4.627 -3.331 3.875 136 HG22 THR 22 1HG2 THR 22 -5.125 -4.317 5.241 137 HG23 THR 22 2HG2 THR 22 -4.516 -2.672 5.528 138 H LEU 23 H LEU 23 -4.449 0.089 4.009 139 HA LEU 23 HA LEU 23 -4.262 -0.257 1.085 140 HB3 LEU 23 1HB LEU 23 -2.552 1.302 3.075 141 HG LEU 23 HG LEU 23 -1.301 0.908 1.007 142 HD11 LEU 23 1HD1 LEU 23 -2.449 2.058 -1.116 143 HD12 LEU 23 2HD1 LEU 23 -3.915 1.568 -0.269 144 HD13 LEU 23 3HD1 LEU 23 -2.673 0.356 -0.697 145 HD21 LEU 23 3HD2 LEU 23 -2.450 3.699 1.098 146 HD22 LEU 23 1HD2 LEU 23 -0.919 3.207 0.337 147 HD23 LEU 23 2HD2 LEU 23 -1.097 3.077 2.091 148 H VAL 24 H VAL 24 -3.121 -1.889 0.229 149 HA VAL 24 HA VAL 24 -1.026 -3.283 1.858 150 HB VAL 24 HB VAL 24 -2.473 -4.275 -0.623 151 HG11 VAL 24 1HG1 VAL 24 -1.512 -6.467 -0.034 152 HG12 VAL 24 2HG1 VAL 24 -0.206 -5.290 -0.265 153 HG13 VAL 24 3HG1 VAL 24 -0.697 -5.756 1.376 154 HG21 VAL 24 3HG2 VAL 24 -3.707 -5.784 0.867 155 HG22 VAL 24 1HG2 VAL 24 -2.933 -5.061 2.289 156 HG23 VAL 24 2HG2 VAL 24 -4.047 -4.110 1.285 157 H GLU 25 H GLU 25 0.912 -2.699 1.489 158 HA GLU 25 HA GLU 25 1.711 -1.311 -1.030 159 HB3 GLU 25 1HB GLU 25 2.421 -1.133 1.899 160 HG3 GLU 25 1HG GLU 25 4.618 -1.082 0.725 161 H PHE 26 H PHE 26 3.152 -2.227 -2.353 162 HA PHE 26 HA PHE 26 4.650 -4.645 -1.458 163 HB3 PHE 26 1HB PHE 26 4.718 -5.226 -3.832 164 HD1 PHE 26 HD1 PHE 26 3.489 -6.856 -2.239 165 HD2 PHE 26 HD2 PHE 26 1.495 -3.661 -4.344 166 HE1 PHE 26 HE1 PHE 26 1.289 -7.911 -1.777 167 HE2 PHE 26 HE2 PHE 26 -0.685 -4.756 -3.914 168 HZ PHE 26 HZ PHE 26 -0.802 -6.837 -2.608 169 H GLY 27 H GLY 27 6.773 -4.495 -1.182 170 HA2 GLY 27 1HA GLY 27 8.634 -3.052 -2.780 171 HA3 GLY 27 2HA GLY 27 8.141 -2.036 -1.456 172 H THR 28 H THR 28 10.312 -2.115 -0.654 173 HA THR 28 HA THR 28 10.626 -4.171 1.404 174 HB THR 28 HB THR 28 13.034 -4.522 0.989 175 HG1 THR 28 HG1 THR 28 13.814 -3.914 -1.109 176 HG21 THR 28 3HG2 THR 28 11.407 -6.182 0.071 177 HG22 THR 28 1HG2 THR 28 12.926 -6.099 -0.829 178 HG23 THR 28 2HG2 THR 28 11.487 -5.337 -1.498 179 H ASP 29 H ASP 29 12.687 -3.395 2.822 180 HA ASP 29 HA ASP 29 12.133 -0.527 3.323 181 HB3 ASP 29 1HB ASP 29 13.880 -2.386 4.960 182 H TRP 30 H TRP 30 14.141 -2.099 1.270 183 HA TRP 30 HA TRP 30 16.474 -0.267 1.658 184 HB3 TRP 30 1HB TRP 30 17.062 -2.368 2.498 185 HD1 TRP 30 HD TRP 30 15.616 -4.461 2.889 186 HE1 TRP 30 HE1 TRP 30 15.008 -6.532 1.518 187 HE3 TRP 30 HE3 TRP 30 17.262 -2.897 -1.698 188 HZ2 TRP 30 HZ2 TRP 30 15.090 -7.360 -1.256 189 HZ3 TRP 30 HZ3 TRP 30 17.017 -4.345 -3.671 190 HH2 TRP 30 HH TRP 30 15.922 -6.578 -3.478 191 H CYS 31 H CYS 31 14.196 -1.345 -0.802 192 HA CYS 31 HA CYS 31 15.904 -0.748 -3.059 193 HB2 CYS 31 1HB CYS 31 13.894 -2.114 -3.321 194 HB3 CYS 31 2HB CYS 31 12.877 -0.754 -2.801 195 H GLY 32 H GLY 32 16.115 1.123 -4.259 196 HA2 GLY 32 1HA GLY 32 15.930 3.701 -2.957 197 HA3 GLY 32 2HA GLY 32 16.399 3.393 -4.629 198 H HIS 33 H HIS 33 13.674 1.943 -5.072 199 HA HIS 33 HA HIS 33 11.962 4.248 -5.654 200 HB2 HIS 33 1HB HIS 33 11.338 1.281 -5.277 201 HB3 HIS 33 2HB HIS 33 10.188 2.481 -5.816 202 HD1 HIS 33 HD1 HIS 33 11.921 -0.173 -7.308 203 HD2 HIS 33 HD2 HIS 33 11.303 3.884 -8.224 204 HE1 HIS 33 HE1 HIS 33 11.856 -0.009 -9.857 205 H CYS 34 H CYS 34 12.129 1.784 -3.075 206 HA CYS 34 HA CYS 34 9.843 2.706 -1.587 207 HB3 CYS 34 1HB CYS 34 11.156 1.328 0.225 208 HG CYS 34 HG CYS 34 10.177 0.243 -2.805 209 H GLN 35 H GLN 35 13.278 3.598 -1.420 210 HA GLN 35 HA GLN 35 13.008 4.970 1.072 211 HB3 GLN 35 1HB GLN 35 15.082 6.180 0.484 212 HG3 GLN 35 1HG GLN 35 16.617 4.445 0.094 213 HE21 GLN 35 2HE2 GLN 35 14.526 1.814 0.212 214 HE22 GLN 35 1HE2 GLN 35 14.596 1.593 1.973 215 H ALA 36 H ALA 36 12.063 5.866 -2.132 216 HA ALA 36 HA ALA 36 11.546 8.703 -1.497 217 HB1 ALA 36 3HB ALA 36 12.434 8.033 -3.715 218 HB2 ALA 36 1HB ALA 36 10.982 7.051 -4.016 219 HB3 ALA 36 2HB ALA 36 10.838 8.808 -3.856 220 H ALA 37 H ALA 37 9.651 5.684 -2.002 221 HA ALA 37 HA ALA 37 7.107 7.063 -1.709 222 HB1 ALA 37 3HB ALA 37 7.709 4.096 -1.672 223 HB2 ALA 37 1HB ALA 37 6.113 4.883 -1.868 224 HB3 ALA 37 2HB ALA 37 7.354 5.080 -3.116 225 H GLN 38 H GLN 38 9.254 5.364 0.546 226 HA GLN 38 HA GLN 38 7.483 4.907 2.690 227 HB3 GLN 38 1HB GLN 38 9.722 5.462 4.059 228 HG3 GLN 38 1HG GLN 38 10.755 3.259 3.194 229 HE21 GLN 38 2HE2 GLN 38 10.519 1.728 4.917 230 HE22 GLN 38 1HE2 GLN 38 9.058 1.675 5.890 231 HA PRO 39 HA PRO 39 8.042 9.287 4.459 232 HB3 PRO 39 1HB PRO 39 10.162 10.109 4.120 233 HG3 PRO 39 1HG PRO 39 11.270 9.854 2.006 234 HD3 PRO 39 1HD PRO 39 10.703 7.705 2.765 235 H LEU 40 H LEU 40 7.246 8.716 1.102 236 HA LEU 40 HA LEU 40 5.533 11.021 0.703 237 HB3 LEU 40 1HB LEU 40 4.811 8.497 -0.708 238 HG LEU 40 HG LEU 40 4.884 9.642 -2.670 239 HD11 LEU 40 1HD1 LEU 40 3.192 10.620 -0.949 240 HD12 LEU 40 2HD1 LEU 40 3.499 11.474 -2.459 241 HD13 LEU 40 3HD1 LEU 40 4.240 12.037 -0.938 242 HD21 LEU 40 3HD2 LEU 40 6.047 11.738 -3.143 243 HD22 LEU 40 1HD2 LEU 40 7.146 10.472 -2.599 244 HD23 LEU 40 2HD2 LEU 40 6.679 11.772 -1.467 245 H LEU 41 H LEU 41 4.957 7.571 1.467 246 HA LEU 41 HA LEU 41 2.181 7.806 2.064 247 HB3 LEU 41 1HB LEU 41 2.754 5.711 3.558 248 HG LEU 41 HG LEU 41 2.516 4.172 1.806 249 HD11 LEU 41 1HD1 LEU 41 0.545 5.590 2.217 250 HD12 LEU 41 2HD1 LEU 41 0.602 4.926 0.571 251 HD13 LEU 41 3HD1 LEU 41 0.999 6.620 0.845 252 HD21 LEU 41 3HD2 LEU 41 2.803 4.769 -0.597 253 HD22 LEU 41 1HD2 LEU 41 4.289 4.735 0.370 254 HD23 LEU 41 2HD2 LEU 41 3.572 6.288 -0.078 255 H ALA 42 H ALA 42 5.079 8.018 4.138 256 HA ALA 42 HA ALA 42 3.729 8.426 6.577 257 HB1 ALA 42 3HB ALA 42 5.825 9.273 7.416 258 HB2 ALA 42 1HB ALA 42 6.194 8.015 6.199 259 HB3 ALA 42 2HB ALA 42 6.345 9.734 5.784 260 H GLU 43 H GLU 43 4.398 10.877 4.082 261 HA GLU 43 HA GLU 43 3.491 13.101 5.714 262 HB3 GLU 43 1HB GLU 43 3.285 14.222 3.395 263 HG3 GLU 43 1HG GLU 43 5.836 14.067 3.020 264 H VAL 44 H VAL 44 1.873 11.098 3.165 265 HA VAL 44 HA VAL 44 -0.627 12.504 3.397 266 HB VAL 44 HB VAL 44 -0.251 11.417 1.369 267 HG11 VAL 44 1HG1 VAL 44 -0.154 8.698 2.689 268 HG12 VAL 44 2HG1 VAL 44 -0.037 9.108 0.964 269 HG13 VAL 44 3HG1 VAL 44 1.222 9.632 2.040 270 HG21 VAL 44 3HG2 VAL 44 -2.239 10.095 1.041 271 HG22 VAL 44 1HG2 VAL 44 -2.358 9.737 2.783 272 HG23 VAL 44 2HG2 VAL 44 -2.608 11.385 2.210 273 H PHE 45 H PHE 45 0.443 9.393 4.822 274 HA PHE 45 HA PHE 45 -1.991 8.690 6.033 275 HB3 PHE 45 1HB PHE 45 0.198 7.709 7.637 276 HD1 PHE 45 HD1 PHE 45 -2.370 6.914 8.006 277 HD2 PHE 45 HD2 PHE 45 0.206 5.654 4.775 278 HE1 PHE 45 HE1 PHE 45 -3.726 4.900 7.705 279 HE2 PHE 45 HE2 PHE 45 -1.139 3.601 4.519 280 HZ PHE 45 HZ PHE 45 -3.123 3.215 5.961 281 H SER 46 H SER 46 0.252 11.117 7.130 282 HA SER 46 HA SER 46 -0.398 11.211 9.904 283 HB3 SER 46 1HB SER 46 0.215 13.595 8.118 284 HG SER 46 HG SER 46 -0.119 14.075 10.332 285 H ASP 47 H ASP 47 -2.350 12.113 7.128 286 HA ASP 47 HA ASP 47 -4.321 13.544 8.845 287 HB3 ASP 47 1HB ASP 47 -4.314 13.311 5.825 288 H TYR 48 H TYR 48 -3.819 10.438 7.580 289 HA TYR 48 HA TYR 48 -6.696 9.702 7.938 290 HB3 TYR 48 1HB TYR 48 -6.685 8.295 6.019 291 HD1 TYR 48 HD2 TYR 48 -8.227 10.235 5.464 292 HD2 TYR 48 HD1 TYR 48 -4.018 10.272 4.577 293 HE1 TYR 48 HE2 TYR 48 -8.569 12.153 3.904 294 HE2 TYR 48 HE1 TYR 48 -4.342 12.254 3.105 295 HH TYR 48 HH TYR 48 -5.810 13.745 2.222 296 HA PRO 49 HA PRO 49 -3.404 6.876 10.025 297 HB3 PRO 49 1HB PRO 49 -2.699 8.342 11.669 298 HG3 PRO 49 1HG PRO 49 -4.157 10.040 12.518 299 HD3 PRO 49 1HD PRO 49 -4.041 10.289 10.174 300 H GLU 50 H GLU 50 -6.861 7.354 10.503 301 HA GLU 50 HA GLU 50 -7.394 4.868 11.812 302 HB3 GLU 50 1HB GLU 50 -8.951 6.751 11.828 303 HG3 GLU 50 1HG GLU 50 -9.504 6.117 8.888 304 H VAL 51 H VAL 51 -6.411 5.450 8.529 305 HA VAL 51 HA VAL 51 -7.661 3.023 7.402 306 HB VAL 51 HB VAL 51 -5.480 4.838 6.276 307 HG11 VAL 51 1HG1 VAL 51 -6.035 3.817 4.085 308 HG12 VAL 51 2HG1 VAL 51 -5.353 2.641 5.191 309 HG13 VAL 51 3HG1 VAL 51 -7.106 2.656 4.892 310 HG21 VAL 51 3HG2 VAL 51 -7.295 5.708 4.836 311 HG22 VAL 51 1HG2 VAL 51 -8.463 4.678 5.686 312 HG23 VAL 51 2HG2 VAL 51 -7.650 5.999 6.539 313 H GLY 52 H GLY 52 -6.572 1.032 7.008 314 HA2 GLY 52 1HA GLY 52 -4.312 0.367 8.814 315 HA3 GLY 52 2HA GLY 52 -5.205 -0.744 7.745 316 H HIS 53 H HIS 53 -2.237 -0.359 8.088 317 HA HIS 53 HA HIS 53 -1.688 -0.140 5.178 318 HB2 HIS 53 1HB HIS 53 -0.946 1.948 6.521 319 HB3 HIS 53 2HB HIS 53 0.263 0.900 7.244 320 HD1 HIS 53 HD1 HIS 53 2.140 2.499 6.055 321 HD2 HIS 53 HD2 HIS 53 -0.468 0.467 3.460 322 HE1 HIS 53 HE1 HIS 53 3.170 2.619 3.701 323 H LEU 54 H LEU 54 -0.691 -1.882 4.394 324 HA LEU 54 HA LEU 54 0.752 -3.727 6.251 325 HB3 LEU 54 1HB LEU 54 -0.941 -4.588 3.871 326 HG LEU 54 HG LEU 54 -0.241 -5.973 6.502 327 HD11 LEU 54 1HD1 LEU 54 -1.542 -7.866 5.641 328 HD12 LEU 54 2HD1 LEU 54 -1.917 -6.972 4.151 329 HD13 LEU 54 3HD1 LEU 54 -2.561 -6.424 5.717 330 HD21 LEU 54 3HD2 LEU 54 0.566 -6.643 3.652 331 HD22 LEU 54 1HD2 LEU 54 0.876 -7.682 5.067 332 HD23 LEU 54 2HD2 LEU 54 1.660 -6.107 4.951 333 H LYS 55 H LYS 55 2.788 -3.162 5.786 334 HA LYS 55 HA LYS 55 3.765 -2.780 3.027 335 HB3 LYS 55 1HB LYS 55 5.978 -2.724 4.480 336 HG3 LYS 55 1HG LYS 55 3.891 -0.613 4.146 337 HD3 LYS 55 1HD LYS 55 5.640 1.040 4.718 338 HE3 LYS 55 1HE LYS 55 4.970 -0.762 7.081 339 HZ1 LYS 55 3HZ LYS 55 5.018 1.327 8.278 340 HZ2 LYS 55 1HZ LYS 55 5.287 2.194 6.904 341 HZ3 LYS 55 2HZ LYS 55 6.418 1.171 7.468 342 H VAL 56 H VAL 56 3.736 -4.557 1.892 343 HA VAL 56 HA VAL 56 4.670 -7.192 2.872 344 HB VAL 56 HB VAL 56 3.764 -6.310 0.072 345 HG11 VAL 56 1HG1 VAL 56 3.404 -8.691 -0.335 346 HG12 VAL 56 2HG1 VAL 56 5.080 -8.405 0.085 347 HG13 VAL 56 3HG1 VAL 56 3.973 -9.099 1.295 348 HG21 VAL 56 3HG2 VAL 56 2.057 -7.661 2.188 349 HG22 VAL 56 1HG2 VAL 56 1.915 -5.962 1.687 350 HG23 VAL 56 2HG2 VAL 56 1.582 -7.220 0.522 351 H GLU 57 H GLU 57 6.641 -7.535 3.045 352 HA GLU 57 HA GLU 57 8.699 -6.346 1.403 353 HB3 GLU 57 1HB GLU 57 8.972 -8.826 3.126 354 HG3 GLU 57 1HG GLU 57 10.745 -6.454 2.490 355 H ASP 58 H ASP 58 8.867 -6.812 -0.674 356 HA ASP 58 HA ASP 58 8.383 -9.554 -1.748 357 HB3 ASP 58 1HB ASP 58 8.580 -6.866 -3.172 358 H GLY 59 H GLY 59 10.235 -8.103 -4.026 359 HA2 GLY 59 1HA GLY 59 12.604 -7.743 -4.268 360 HA3 GLY 59 2HA GLY 59 12.902 -8.750 -2.849 361 HA PRO 60 HA PRO 60 13.656 -11.303 -6.591 362 HB3 PRO 60 1HB PRO 60 15.907 -11.362 -6.092 363 HG3 PRO 60 1HG PRO 60 16.685 -11.317 -3.838 364 HD3 PRO 60 1HD PRO 60 15.250 -9.449 -4.050 365 H GLY 61 H GLY 61 12.901 -12.509 -3.318 366 HA2 GLY 61 1HA GLY 61 11.384 -14.847 -4.378 367 HA3 GLY 61 2HA GLY 61 11.602 -14.389 -2.681 368 H ARG 62 H ARG 62 9.711 -13.968 -5.550 369 HA ARG 62 HA ARG 62 8.252 -11.629 -4.827 370 HB3 ARG 62 1HB ARG 62 6.621 -12.352 -6.543 371 HG3 ARG 62 1HG ARG 62 8.068 -12.525 -8.513 372 HD3 ARG 62 1HD ARG 62 9.297 -10.654 -6.453 373 HE ARG 62 HE ARG 62 9.819 -11.014 -9.261 374 HH11 ARG 62 1HH1 ARG 62 9.574 -8.497 -6.799 375 HH12 ARG 62 2HH1 ARG 62 10.571 -7.379 -7.701 376 HH21 ARG 62 1HH2 ARG 62 11.131 -9.552 -10.367 377 HH22 ARG 62 2HH2 ARG 62 11.470 -7.994 -9.677 378 H ARG 63 H ARG 63 6.335 -11.257 -3.839 379 HA ARG 63 HA ARG 63 4.800 -13.443 -2.539 380 HB3 ARG 63 1HB ARG 63 6.472 -11.380 -1.070 381 HG3 ARG 63 1HG ARG 63 4.210 -13.114 -0.034 382 HD3 ARG 63 1HD ARG 63 5.965 -13.844 1.358 383 HE ARG 63 HE ARG 63 7.045 -11.076 1.209 384 HH11 ARG 63 1HH1 ARG 63 7.479 -14.269 2.685 385 HH12 ARG 63 2HH1 ARG 63 9.194 -14.040 2.855 386 HH21 ARG 63 1HH2 ARG 63 9.148 -10.846 1.455 387 HH22 ARG 63 2HH2 ARG 63 10.146 -12.074 2.209 388 H LEU 64 H LEU 64 2.771 -13.030 -2.769 389 HA LEU 64 HA LEU 64 0.740 -12.212 -2.861 390 HB3 LEU 64 1HB LEU 64 1.851 -9.965 -1.161 391 HG LEU 64 HG LEU 64 -0.481 -9.633 -1.846 392 HD11 LEU 64 1HD1 LEU 64 -1.339 -11.862 -2.230 393 HD12 LEU 64 2HD1 LEU 64 -2.247 -11.185 -0.862 394 HD13 LEU 64 3HD1 LEU 64 -0.950 -12.364 -0.571 395 HD21 LEU 64 3HD2 LEU 64 -1.397 -9.334 0.426 396 HD22 LEU 64 1HD2 LEU 64 0.311 -8.926 0.418 397 HD23 LEU 64 2HD2 LEU 64 -0.204 -10.476 1.084 398 H GLY 65 H GLY 65 2.949 -9.482 -3.703 399 HA2 GLY 65 1HA GLY 65 1.052 -7.973 -5.192 400 HA3 GLY 65 2HA GLY 65 2.815 -7.913 -5.402 401 H ARG 66 H ARG 66 2.774 -10.839 -6.131 402 HA ARG 66 HA ARG 66 2.361 -10.932 -8.941 403 HB3 ARG 66 1HB ARG 66 2.274 -13.128 -6.834 404 HG3 ARG 66 1HG ARG 66 3.243 -13.464 -9.684 405 HD3 ARG 66 1HD ARG 66 3.744 -15.193 -7.906 406 HE ARG 66 HE ARG 66 0.876 -15.028 -7.502 407 HH11 ARG 66 1HH1 ARG 66 3.489 -17.414 -7.370 408 HH12 ARG 66 2HH1 ARG 66 2.637 -18.397 -6.211 409 HH21 ARG 66 1HH2 ARG 66 -0.138 -16.301 -6.031 410 HH22 ARG 66 2HH2 ARG 66 0.609 -17.769 -5.465 411 H SER 67 H SER 67 0.225 -11.961 -6.211 412 HA SER 67 HA SER 67 -1.975 -12.776 -7.955 413 HB3 SER 67 1HB SER 67 -3.045 -13.391 -5.869 414 HG SER 67 HG SER 67 -1.372 -14.708 -4.949 415 H PHE 68 H PHE 68 -0.995 -9.797 -6.593 416 HA PHE 68 HA PHE 68 -3.617 -8.507 -7.116 417 HB3 PHE 68 1HB PHE 68 -2.131 -6.428 -6.626 418 HD1 PHE 68 HD1 PHE 68 -1.519 -8.922 -3.995 419 HD2 PHE 68 HD2 PHE 68 -4.233 -6.004 -5.559 420 HE1 PHE 68 HE1 PHE 68 -2.723 -8.916 -1.817 421 HE2 PHE 68 HE2 PHE 68 -5.464 -5.970 -3.402 422 HZ PHE 68 HZ PHE 68 -4.721 -7.439 -1.532 423 H GLN 69 H GLN 69 -0.986 -9.596 -8.974 424 HA GLN 69 HA GLN 69 -0.149 -9.134 -11.026 425 HB3 GLN 69 1HB GLN 69 -1.810 -8.458 -12.733 426 HG3 GLN 69 1HG GLN 69 -1.620 -10.821 -11.847 427 HE21 GLN 69 2HE2 GLN 69 -4.374 -9.065 -10.227 428 HE22 GLN 69 1HE2 GLN 69 -4.623 -10.411 -9.125 429 H VAL 70 H VAL 70 0.774 -7.399 -9.211 430 HA VAL 70 HA VAL 70 0.368 -4.643 -9.719 431 HB VAL 70 HB VAL 70 2.564 -6.230 -8.384 432 HG11 VAL 70 1HG1 VAL 70 2.614 -3.214 -8.812 433 HG12 VAL 70 2HG1 VAL 70 3.562 -4.071 -7.577 434 HG13 VAL 70 3HG1 VAL 70 3.854 -4.385 -9.286 435 HG21 VAL 70 3HG2 VAL 70 0.598 -4.101 -7.422 436 HG22 VAL 70 1HG2 VAL 70 0.336 -5.853 -7.292 437 HG23 VAL 70 2HG2 VAL 70 1.674 -5.087 -6.411 438 H LYS 71 H LYS 71 1.113 -3.200 -11.055 439 HA LYS 71 HA LYS 71 1.979 -4.103 -13.651 440 HB3 LYS 71 1HB LYS 71 1.569 -1.783 -14.282 441 HG3 LYS 71 1HG LYS 71 -0.586 -2.721 -12.349 442 HD3 LYS 71 1HD LYS 71 -2.054 -2.004 -14.268 443 HE3 LYS 71 1HE LYS 71 -0.237 0.170 -13.128 444 HZ1 LYS 71 3HZ LYS 71 -2.161 1.582 -13.464 445 HZ2 LYS 71 1HZ LYS 71 -3.020 0.351 -14.132 446 HZ3 LYS 71 2HZ LYS 71 -1.703 0.961 -14.900 447 H LEU 72 H LEU 72 3.364 -1.822 -11.343 448 HA LEU 72 HA LEU 72 5.976 -1.699 -12.778 449 HB3 LEU 72 1HB LEU 72 4.849 0.059 -10.556 450 HG LEU 72 HG LEU 72 7.340 0.332 -10.939 451 HD11 LEU 72 1HD1 LEU 72 7.492 -0.212 -13.333 452 HD12 LEU 72 2HD1 LEU 72 8.075 1.424 -13.052 453 HD13 LEU 72 3HD1 LEU 72 6.451 1.176 -13.741 454 HD21 LEU 72 3HD2 LEU 72 5.608 2.668 -11.840 455 HD22 LEU 72 1HD2 LEU 72 7.250 2.768 -11.145 456 HD23 LEU 72 2HD2 LEU 72 5.903 2.193 -10.149 457 H TRP 73 H TRP 73 6.625 -0.844 -9.724 458 HA TRP 73 HA TRP 73 6.319 -3.452 -8.406 459 HB3 TRP 73 1HB TRP 73 8.984 -2.042 -8.439 460 HD1 TRP 73 HD TRP 73 7.961 -5.738 -7.957 461 HE1 TRP 73 HE1 TRP 73 8.957 -6.596 -5.755 462 HE3 TRP 73 HE3 TRP 73 9.903 -1.343 -6.224 463 HZ2 TRP 73 HZ2 TRP 73 10.651 -5.546 -3.639 464 HZ3 TRP 73 HZ3 TRP 73 11.181 -1.304 -4.095 465 HH2 TRP 73 HH TRP 73 11.618 -3.384 -2.836 466 HA PRO 74 HA PRO 74 6.551 -0.095 -5.093 467 HB3 PRO 74 1HB PRO 74 8.211 1.469 -5.374 468 HG3 PRO 74 1HG PRO 74 8.714 2.365 -7.574 469 HD3 PRO 74 1HD PRO 74 8.936 0.016 -7.674 470 H THR 75 H THR 75 4.412 -0.632 -4.975 471 HA THR 75 HA THR 75 2.300 1.051 -6.169 472 HB THR 75 HB THR 75 2.685 -1.914 -6.816 473 HG1 THR 75 HG1 THR 75 3.542 0.209 -7.997 474 HG21 THR 75 3HG2 THR 75 0.348 -0.049 -7.438 475 HG22 THR 75 1HG2 THR 75 0.305 -1.565 -6.501 476 HG23 THR 75 2HG2 THR 75 0.627 -1.607 -8.241 477 H PHE 76 H PHE 76 0.590 1.093 -4.902 478 HA PHE 76 HA PHE 76 0.288 -0.941 -2.780 479 HB3 PHE 76 1HB PHE 76 1.210 0.661 -1.416 480 HD1 PHE 76 HD1 PHE 76 2.879 1.776 -2.947 481 HD2 PHE 76 HD2 PHE 76 -1.049 3.352 -2.155 482 HE1 PHE 76 HE1 PHE 76 3.618 3.982 -3.757 483 HE2 PHE 76 HE2 PHE 76 -0.291 5.560 -2.878 484 HZ PHE 76 HZ PHE 76 2.028 5.882 -3.770 485 H VAL 77 H VAL 77 -1.623 -1.716 -2.598 486 HA VAL 77 HA VAL 77 -3.825 -0.685 -4.324 487 HB VAL 77 HB VAL 77 -3.472 -3.464 -3.149 488 HG11 VAL 77 1HG1 VAL 77 -5.298 -2.465 -5.384 489 HG12 VAL 77 2HG1 VAL 77 -5.231 -4.098 -4.755 490 HG13 VAL 77 3HG1 VAL 77 -5.843 -2.787 -3.738 491 HG21 VAL 77 3HG2 VAL 77 -1.658 -2.958 -4.808 492 HG22 VAL 77 1HG2 VAL 77 -2.797 -4.139 -5.443 493 HG23 VAL 77 2HG2 VAL 77 -2.869 -2.461 -5.977 494 H PHE 78 H PHE 78 -5.552 0.169 -3.436 495 HA PHE 78 HA PHE 78 -5.895 0.166 -0.483 496 HB3 PHE 78 1HB PHE 78 -7.678 1.822 -0.928 497 HD1 PHE 78 HD2 PHE 78 -4.962 2.306 -3.464 498 HD2 PHE 78 HD1 PHE 78 -6.464 3.444 0.424 499 HE1 PHE 78 HE2 PHE 78 -3.145 3.982 -3.234 500 HE2 PHE 78 HE1 PHE 78 -4.679 5.179 0.574 501 HZ PHE 78 HZ PHE 78 -3.047 5.436 -1.294 502 H LEU 79 H LEU 79 -7.035 -1.367 0.422 503 HA LEU 79 HA LEU 79 -9.176 -2.791 -1.071 504 HB3 LEU 79 1HB LEU 79 -8.992 -4.429 0.879 505 HG LEU 79 HG LEU 79 -6.806 -5.433 0.441 506 HD11 LEU 79 1HD1 LEU 79 -8.836 -6.128 -0.789 507 HD12 LEU 79 2HD1 LEU 79 -7.336 -6.415 -1.661 508 HD13 LEU 79 3HD1 LEU 79 -8.342 -5.041 -2.113 509 HD21 LEU 79 3HD2 LEU 79 -5.446 -4.770 -1.450 510 HD22 LEU 79 1HD2 LEU 79 -5.617 -3.405 -0.332 511 HD23 LEU 79 2HD2 LEU 79 -6.603 -3.468 -1.828 512 H ARG 80 H ARG 80 -11.030 -3.224 -0.022 513 HA ARG 80 HA ARG 80 -11.804 -2.337 2.579 514 HB3 ARG 80 1HB ARG 80 -13.346 -0.784 0.476 515 HG3 ARG 80 1HG ARG 80 -12.772 -0.385 3.444 516 HD3 ARG 80 1HD ARG 80 -14.382 1.389 1.570 517 HE ARG 80 HE ARG 80 -14.841 1.159 4.184 518 HH11 ARG 80 1HH1 ARG 80 -13.059 3.819 2.587 519 HH12 ARG 80 2HH1 ARG 80 -13.516 4.936 3.830 520 HH21 ARG 80 1HH2 ARG 80 -15.342 2.681 5.722 521 HH22 ARG 80 2HH2 ARG 80 -14.741 4.306 5.571 522 H ASP 81 H ASP 81 -13.572 -3.456 3.251 523 HA ASP 81 HA ASP 81 -14.995 -5.209 3.333 524 HB3 ASP 81 1HB ASP 81 -15.650 -4.851 0.398 525 H GLY 82 H GLY 82 -12.162 -5.466 2.479 526 HA2 GLY 82 1HA GLY 82 -10.718 -7.251 2.242 527 HA3 GLY 82 2HA GLY 82 -12.080 -8.325 1.847 528 H ARG 83 H ARG 83 -12.305 -5.721 -0.235 529 HA ARG 83 HA ARG 83 -10.626 -7.009 -2.329 530 HB3 ARG 83 1HB ARG 83 -12.630 -6.659 -3.898 531 HG3 ARG 83 1HG ARG 83 -12.771 -8.601 -1.567 532 HD3 ARG 83 1HD ARG 83 -13.979 -9.008 -4.309 533 HE ARG 83 HE ARG 83 -13.223 -10.764 -2.206 534 HH11 ARG 83 1HH1 ARG 83 -16.082 -10.292 -4.249 535 HH12 ARG 83 2HH1 ARG 83 -16.640 -11.917 -3.982 536 HH21 ARG 83 1HH2 ARG 83 -13.995 -12.769 -1.851 537 HH22 ARG 83 2HH2 ARG 83 -15.428 -13.339 -2.679 538 H GLU 84 H GLU 84 -10.283 -5.756 -4.176 539 HA GLU 84 HA GLU 84 -9.082 -3.292 -3.415 540 HB3 GLU 84 1HB GLU 84 -9.385 -4.667 -6.089 541 HG3 GLU 84 1HG GLU 84 -7.811 -2.158 -5.415 542 H VAL 85 H VAL 85 -9.874 -1.349 -3.236 543 HA VAL 85 HA VAL 85 -12.275 -0.488 -4.805 544 HB VAL 85 HB VAL 85 -12.233 1.528 -3.321 545 HG11 VAL 85 1HG1 VAL 85 -13.342 0.426 -1.478 546 HG12 VAL 85 2HG1 VAL 85 -13.780 -0.383 -3.000 547 HG13 VAL 85 3HG1 VAL 85 -12.597 -1.138 -1.909 548 HG21 VAL 85 3HG2 VAL 85 -9.830 1.255 -2.483 549 HG22 VAL 85 1HG2 VAL 85 -11.045 1.489 -1.204 550 HG23 VAL 85 2HG2 VAL 85 -10.403 -0.123 -1.505 551 H ALA 86 H ALA 86 -8.836 -0.044 -4.527 552 HA ALA 86 HA ALA 86 -8.604 1.325 -7.048 553 HB1 ALA 86 3HB ALA 86 -9.347 3.264 -5.680 554 HB2 ALA 86 1HB ALA 86 -8.041 2.907 -4.497 555 HB3 ALA 86 2HB ALA 86 -7.659 3.459 -6.140 556 H ARG 87 H ARG 87 -6.229 2.152 -7.247 557 HA ARG 87 HA ARG 87 -4.388 1.355 -5.194 558 HB3 ARG 87 1HB ARG 87 -4.496 -0.745 -6.390 559 HG3 ARG 87 1HG ARG 87 -3.394 0.824 -8.761 560 HD3 ARG 87 1HD ARG 87 -2.298 -1.360 -8.113 561 HE ARG 87 HE ARG 87 -4.984 -2.356 -8.273 562 HH11 ARG 87 1HH1 ARG 87 -1.769 -3.378 -9.411 563 HH12 ARG 87 2HH1 ARG 87 -2.233 -5.064 -9.385 564 HH21 ARG 87 1HH2 ARG 87 -5.431 -4.544 -8.216 565 HH22 ARG 87 2HH2 ARG 87 -4.202 -5.693 -8.723 566 H VAL 88 H VAL 88 -2.330 2.282 -5.439 567 HA VAL 88 HA VAL 88 -2.104 4.465 -7.525 568 HB VAL 88 HB VAL 88 -1.353 4.552 -4.612 569 HG11 VAL 88 1HG1 VAL 88 -0.516 6.895 -5.041 570 HG12 VAL 88 2HG1 VAL 88 0.454 5.694 -5.900 571 HG13 VAL 88 3HG1 VAL 88 -0.762 6.634 -6.779 572 HG21 VAL 88 3HG2 VAL 88 -3.740 5.104 -5.107 573 HG22 VAL 88 1HG2 VAL 88 -2.821 6.388 -4.318 574 HG23 VAL 88 2HG2 VAL 88 -3.173 6.479 -6.072 575 H VAL 89 H VAL 89 -0.184 4.596 -8.509 576 HA VAL 89 HA VAL 89 2.101 2.892 -7.685 577 HB VAL 89 HB VAL 89 1.021 1.416 -9.166 578 HG11 VAL 89 1HG1 VAL 89 0.279 1.945 -11.453 579 HG12 VAL 89 2HG1 VAL 89 -0.646 2.812 -10.234 580 HG13 VAL 89 3HG1 VAL 89 0.609 3.665 -11.171 581 HG21 VAL 89 3HG2 VAL 89 2.567 1.128 -10.965 582 HG22 VAL 89 1HG2 VAL 89 3.019 2.842 -10.965 583 HG23 VAL 89 2HG2 VAL 89 3.480 1.796 -9.607 584 H ARG 90 H ARG 90 4.016 3.807 -8.034 585 HA ARG 90 HA ARG 90 5.565 5.392 -8.345 586 HB3 ARG 90 1HB ARG 90 4.204 6.080 -10.965 587 HG3 ARG 90 1HG ARG 90 7.125 5.839 -10.130 588 HD3 ARG 90 1HD ARG 90 5.859 6.876 -12.684 589 HE ARG 90 HE ARG 90 8.563 7.082 -11.641 590 HH11 ARG 90 1HH1 ARG 90 6.810 6.743 -14.703 591 HH12 ARG 90 2HH1 ARG 90 8.090 7.456 -15.623 592 HH21 ARG 90 1HH2 ARG 90 10.199 7.983 -12.891 593 HH22 ARG 90 2HH2 ARG 90 9.975 8.155 -14.602 594 HA PRO 91 HA PRO 91 2.306 8.372 -6.726 595 HB3 PRO 91 1HB PRO 91 2.605 7.859 -4.587 596 HG3 PRO 91 1HG PRO 91 4.623 6.847 -3.840 597 HD3 PRO 91 1HD PRO 91 3.989 5.652 -5.805 598 H GLY 92 H GLY 92 5.798 9.358 -6.762 599 HA2 GLY 92 1HA GLY 92 6.784 11.125 -7.873 600 HA3 GLY 92 2HA GLY 92 5.196 11.640 -8.473 601 H SER 93 H SER 93 3.764 12.217 -6.230 602 HA SER 93 HA SER 93 5.250 13.763 -4.270 603 HB3 SER 93 1HB SER 93 3.423 15.359 -6.074 604 HG SER 93 HG SER 93 4.561 17.079 -4.987 605 H ALA 94 H ALA 94 3.936 14.649 -2.622 606 HA ALA 94 HA ALA 94 1.944 12.935 -1.624 607 HB1 ALA 94 3HB ALA 94 2.557 15.869 -1.025 608 HB2 ALA 94 1HB ALA 94 1.648 14.772 0.043 609 HB3 ALA 94 2HB ALA 94 3.363 14.464 -0.286 610 H SER 95 H SER 95 1.467 15.899 -3.582 611 HA SER 95 HA SER 95 -1.306 16.179 -3.285 612 HB3 SER 95 1HB SER 95 -1.249 17.384 -5.389 613 HG SER 95 HG SER 95 -0.149 18.501 -3.743 614 H VAL 96 H VAL 96 0.390 13.688 -5.161 615 HA VAL 96 HA VAL 96 -2.089 12.851 -6.572 616 HB VAL 96 HB VAL 96 0.695 11.621 -6.493 617 HG11 VAL 96 1HG1 VAL 96 -0.008 10.379 -8.518 618 HG12 VAL 96 2HG1 VAL 96 -0.939 9.914 -7.100 619 HG13 VAL 96 3HG1 VAL 96 -1.666 10.997 -8.314 620 HG21 VAL 96 3HG2 VAL 96 0.768 13.829 -7.580 621 HG22 VAL 96 1HG2 VAL 96 0.942 12.549 -8.790 622 HG23 VAL 96 2HG2 VAL 96 -0.621 13.391 -8.604 623 H LEU 97 H LEU 97 0.064 11.753 -3.929 624 HA LEU 97 HA LEU 97 -1.367 9.280 -3.481 625 HB3 LEU 97 1HB LEU 97 0.198 10.311 -1.208 626 HG LEU 97 HG LEU 97 0.722 8.062 -3.228 627 HD11 LEU 97 1HD1 LEU 97 2.187 7.095 -1.539 628 HD12 LEU 97 2HD1 LEU 97 1.971 8.517 -0.490 629 HD13 LEU 97 3HD1 LEU 97 2.771 8.654 -2.074 630 HD21 LEU 97 3HD2 LEU 97 -0.102 6.721 -1.105 631 HD22 LEU 97 1HD2 LEU 97 -1.287 7.464 -2.199 632 HD23 LEU 97 2HD2 LEU 97 -0.872 8.258 -0.690 633 H GLU 98 H GLU 98 -1.359 12.364 -1.672 634 HA GLU 98 HA GLU 98 -3.383 11.786 0.188 635 HB3 GLU 98 1HB GLU 98 -3.798 14.253 0.184 636 HG3 GLU 98 1HG GLU 98 -0.848 13.482 0.226 637 H GLU 99 H GLU 99 -3.775 13.082 -3.149 638 HA GLU 99 HA GLU 99 -6.563 13.433 -3.162 639 HB3 GLU 99 1HB GLU 99 -4.566 12.698 -5.333 640 HG3 GLU 99 1HG GLU 99 -7.516 13.284 -5.609 641 H ALA 100 H ALA 100 -4.693 10.427 -3.767 642 HA ALA 100 HA ALA 100 -7.123 8.885 -4.310 643 HB1 ALA 100 3HB ALA 100 -5.575 6.974 -4.272 644 HB2 ALA 100 1HB ALA 100 -4.937 8.295 -5.278 645 HB3 ALA 100 2HB ALA 100 -4.282 8.037 -3.642 646 H PHE 101 H PHE 101 -5.177 9.616 -1.380 647 HA PHE 101 HA PHE 101 -6.284 7.503 0.242 648 HB3 PHE 101 1HB PHE 101 -5.670 9.435 2.017 649 HD1 PHE 101 HD1 PHE 101 -3.176 7.791 -0.392 650 HD2 PHE 101 HD2 PHE 101 -4.938 7.867 3.566 651 HE1 PHE 101 HE1 PHE 101 -1.574 6.122 0.386 652 HE2 PHE 101 HE2 PHE 101 -3.311 6.176 4.309 653 HZ PHE 101 HZ PHE 101 -1.609 5.294 2.679 654 H GLU 102 H GLU 102 -7.146 10.980 -0.081 655 HA GLU 102 HA GLU 102 -9.454 10.828 1.617 656 HB3 GLU 102 1HB GLU 102 -8.773 12.991 1.262 657 HG3 GLU 102 1HG GLU 102 -8.510 12.360 -1.615 658 H SER 103 H SER 103 -9.064 10.199 -1.854 659 HA SER 103 HA SER 103 -11.841 9.929 -2.464 660 HB3 SER 103 1HB SER 103 -10.905 8.615 -4.430 661 HG SER 103 HG SER 103 -9.366 10.950 -4.155 662 H LEU 104 H LEU 104 -9.597 7.638 -0.953 663 HA LEU 104 HA LEU 104 -11.635 5.452 -1.165 664 HB3 LEU 104 1HB LEU 104 -9.659 4.047 -0.385 665 HG LEU 104 HG LEU 104 -8.779 3.608 -2.438 666 HD11 LEU 104 1HD1 LEU 104 -11.346 3.498 -2.308 667 HD12 LEU 104 2HD1 LEU 104 -10.631 3.428 -3.918 668 HD13 LEU 104 3HD1 LEU 104 -11.359 4.937 -3.345 669 HD21 LEU 104 3HD2 LEU 104 -9.308 6.450 -3.366 670 HD22 LEU 104 1HD2 LEU 104 -8.802 5.155 -4.426 671 HD23 LEU 104 2HD2 LEU 104 -7.735 5.635 -3.100 672 H VAL 105 H VAL 105 -10.052 7.462 1.243 673 HA VAL 105 HA VAL 105 -11.072 5.982 3.482 674 HB VAL 105 HB VAL 105 -9.266 7.914 3.337 675 HG11 VAL 105 1HG1 VAL 105 -11.650 9.567 4.251 676 HG12 VAL 105 2HG1 VAL 105 -9.979 10.103 4.026 677 HG13 VAL 105 3HG1 VAL 105 -10.955 9.672 2.626 678 HG21 VAL 105 3HG2 VAL 105 -9.313 8.210 5.652 679 HG22 VAL 105 1HG2 VAL 105 -11.045 7.810 5.768 680 HG23 VAL 105 2HG2 VAL 105 -9.866 6.557 5.322 681 H GLY 106 H GLY 106 -12.467 8.250 1.219 682 HA2 GLY 106 1HA GLY 106 -14.797 8.309 0.774 683 HA3 GLY 106 2HA GLY 106 -15.159 8.038 2.504 684 H GLU 107 H GLU 107 -12.672 10.361 1.770 685 HA GLU 107 HA GLU 107 -14.432 12.623 2.587 686 HB3 GLU 107 1HB GLU 107 -12.041 13.687 2.878 687 HG3 GLU 107 1HG GLU 107 -11.694 12.532 5.063 688 H GLY 108 H GLY 108 -13.122 11.318 -0.265 689 HA2 GLY 108 1HA GLY 108 -12.249 13.601 -1.667 690 HA3 GLY 108 2HA GLY 108 -12.824 12.100 -2.410 Start of MODEL 12 1 H1 MET 1 H MET 1 18.739 -2.227 13.126 2 HA MET 1 HA MET 1 16.998 -1.514 15.264 3 HB3 MET 1 1HB MET 1 17.514 0.793 14.606 4 HG3 MET 1 1HG MET 1 16.283 0.032 11.914 5 HE1 MET 1 3HE MET 1 14.511 2.102 13.490 6 HE2 MET 1 1HE MET 1 14.350 3.357 12.242 7 HE3 MET 1 2HE MET 1 14.300 1.634 11.785 8 H LYS 2 H LYS 2 14.676 -1.735 14.734 9 HA LYS 2 HA LYS 2 14.155 -3.944 12.906 10 HB3 LYS 2 1HB LYS 2 11.817 -3.673 13.624 11 HG3 LYS 2 1HG LYS 2 11.956 -3.882 16.041 12 HD3 LYS 2 1HD LYS 2 14.360 -5.255 14.772 13 HE3 LYS 2 1HE LYS 2 14.269 -5.408 17.260 14 HZ1 LYS 2 3HZ LYS 2 11.724 -6.873 16.769 15 HZ2 LYS 2 1HZ LYS 2 11.849 -5.461 17.587 16 HZ3 LYS 2 2HZ LYS 2 12.514 -6.823 18.193 17 H THR 3 H THR 3 13.006 -3.954 10.993 18 HA THR 3 HA THR 3 12.917 -1.478 9.379 19 HB THR 3 HB THR 3 12.122 -3.098 7.578 20 HG1 THR 3 HG1 THR 3 11.438 -4.816 8.818 21 HG21 THR 3 3HG2 THR 3 14.825 -3.669 8.873 22 HG22 THR 3 1HG2 THR 3 14.473 -2.291 7.816 23 HG23 THR 3 2HG2 THR 3 14.368 -3.955 7.181 24 H ARG 4 H ARG 4 11.111 -0.830 8.215 25 HA ARG 4 HA ARG 4 8.673 -0.694 9.801 26 HB3 ARG 4 1HB ARG 4 8.011 0.857 7.893 27 HG3 ARG 4 1HG ARG 4 10.668 1.278 9.334 28 HD3 ARG 4 1HD ARG 4 10.260 3.706 8.588 29 HE ARG 4 HE ARG 4 11.752 1.651 7.272 30 HH11 ARG 4 1HH1 ARG 4 10.485 4.863 6.453 31 HH12 ARG 4 2HH1 ARG 4 11.694 5.083 5.209 32 HH21 ARG 4 1HH2 ARG 4 13.440 2.176 5.890 33 HH22 ARG 4 2HH2 ARG 4 13.335 3.628 4.919 34 H TYR 5 H TYR 5 9.699 -2.317 7.005 35 HA TYR 5 HA TYR 5 7.052 -3.254 6.123 36 HB3 TYR 5 1HB TYR 5 8.579 -4.555 4.450 37 HD1 TYR 5 HD1 TYR 5 9.706 -1.017 4.884 38 HD2 TYR 5 HD2 TYR 5 6.981 -3.733 2.998 39 HE1 TYR 5 HE1 TYR 5 9.029 0.788 3.283 40 HE2 TYR 5 HE2 TYR 5 6.200 -1.905 1.454 41 HH TYR 5 HH TYR 5 6.603 0.281 0.727 42 H SER 6 H SER 6 6.522 -5.535 5.718 43 HA SER 6 HA SER 6 7.870 -7.389 7.606 44 HB3 SER 6 1HB SER 6 5.631 -8.408 7.971 45 HG SER 6 HG SER 6 4.784 -6.611 9.203 46 H ALA 7 H ALA 7 8.707 -9.178 6.765 47 HA ALA 7 HA ALA 7 8.055 -10.097 4.054 48 HB1 ALA 7 3HB ALA 7 9.884 -11.241 6.220 49 HB2 ALA 7 1HB ALA 7 9.859 -11.732 4.520 50 HB3 ALA 7 2HB ALA 7 10.377 -10.087 4.959 51 H GLU 8 H GLU 8 7.279 -11.118 7.338 52 HA GLU 8 HA GLU 8 6.023 -13.643 6.517 53 HB3 GLU 8 1HB GLU 8 5.453 -13.841 8.915 54 HG3 GLU 8 1HG GLU 8 8.352 -12.980 8.534 55 H ALA 9 H ALA 9 4.901 -11.629 5.033 56 HA ALA 9 HA ALA 9 2.527 -10.519 6.197 57 HB1 ALA 9 3HB ALA 9 2.014 -9.833 3.856 58 HB2 ALA 9 1HB ALA 9 3.682 -9.426 4.326 59 HB3 ALA 9 2HB ALA 9 3.344 -10.836 3.281 60 HA PRO 10 HA PRO 10 -0.476 -13.753 5.599 61 HB3 PRO 10 1HB PRO 10 -1.924 -12.369 6.733 62 HG3 PRO 10 1HG PRO 10 -2.000 -9.983 6.264 63 HD3 PRO 10 1HD PRO 10 0.184 -10.588 6.937 64 H ALA 11 H ALA 11 -1.970 -14.666 4.019 65 HA ALA 11 HA ALA 11 -1.185 -14.139 1.210 66 HB1 ALA 11 3HB ALA 11 -2.761 -16.422 2.486 67 HB2 ALA 11 1HB ALA 11 -2.219 -16.354 0.796 68 HB3 ALA 11 2HB ALA 11 -1.022 -16.440 2.109 69 H ARG 12 H ARG 12 -2.873 -14.198 -0.492 70 HA ARG 12 HA ARG 12 -4.719 -12.112 -0.077 71 HB3 ARG 12 1HB ARG 12 -5.344 -13.771 -2.434 72 HG3 ARG 12 1HG ARG 12 -4.031 -11.723 -3.490 73 HD3 ARG 12 1HD ARG 12 -6.465 -12.028 -3.719 74 HE ARG 12 HE ARG 12 -7.076 -11.882 -1.272 75 HH11 ARG 12 1HH1 ARG 12 -7.261 -8.920 -3.247 76 HH12 ARG 12 2HH1 ARG 12 -8.579 -8.317 -2.275 77 HH21 ARG 12 1HH2 ARG 12 -8.705 -11.010 -0.124 78 HH22 ARG 12 2HH2 ARG 12 -9.390 -9.466 -0.582 79 H ASP 13 H ASP 13 -5.283 -15.588 0.196 80 HA ASP 13 HA ASP 13 -8.148 -15.508 0.422 81 HB3 ASP 13 1HB ASP 13 -6.186 -17.411 1.765 82 H GLU 14 H GLU 14 -5.610 -14.652 2.698 83 HA GLU 14 HA GLU 14 -7.376 -14.610 5.050 84 HB3 GLU 14 1HB GLU 14 -4.634 -13.402 4.919 85 HG3 GLU 14 1HG GLU 14 -6.064 -13.412 7.056 86 H LEU 15 H LEU 15 -6.051 -12.374 2.584 87 HA LEU 15 HA LEU 15 -7.114 -9.974 3.830 88 HB3 LEU 15 1HB LEU 15 -6.835 -9.100 1.420 89 HG LEU 15 HG LEU 15 -5.112 -8.798 3.303 90 HD11 LEU 15 1HD1 LEU 15 -3.692 -10.968 1.705 91 HD12 LEU 15 2HD1 LEU 15 -4.144 -11.050 3.430 92 HD13 LEU 15 3HD1 LEU 15 -2.920 -9.897 2.869 93 HD21 LEU 15 3HD2 LEU 15 -5.105 -7.543 1.197 94 HD22 LEU 15 1HD2 LEU 15 -4.227 -8.861 0.393 95 HD23 LEU 15 2HD2 LEU 15 -3.456 -7.927 1.690 96 H ASP 16 H ASP 16 -8.570 -12.473 1.855 97 HA ASP 16 HA ASP 16 -10.918 -11.054 0.970 98 HB3 ASP 16 1HB ASP 16 -10.381 -13.961 1.662 99 H ARG 17 H ARG 17 -9.914 -12.115 4.100 100 HA ARG 17 HA ARG 17 -12.540 -12.239 5.340 101 HB3 ARG 17 1HB ARG 17 -11.355 -12.690 7.354 102 HG3 ARG 17 1HG ARG 17 -9.808 -14.511 6.778 103 HD3 ARG 17 1HD ARG 17 -12.072 -14.397 4.747 104 HE ARG 17 HE ARG 17 -10.047 -15.964 4.250 105 HH11 ARG 17 1HH1 ARG 17 -13.000 -16.948 5.939 106 HH12 ARG 17 2HH1 ARG 17 -12.854 -18.603 5.425 107 HH21 ARG 17 1HH2 ARG 17 -9.870 -18.150 3.683 108 HH22 ARG 17 2HH2 ARG 17 -11.121 -19.247 4.158 109 H LEU 18 H LEU 18 -10.472 -9.665 4.500 110 HA LEU 18 HA LEU 18 -10.855 -7.901 6.738 111 HB3 LEU 18 1HB LEU 18 -10.141 -6.117 4.953 112 HG LEU 18 HG LEU 18 -8.357 -8.538 5.393 113 HD11 LEU 18 1HD1 LEU 18 -7.719 -7.402 3.289 114 HD12 LEU 18 2HD1 LEU 18 -6.517 -7.089 4.551 115 HD13 LEU 18 3HD1 LEU 18 -7.707 -5.833 4.128 116 HD21 LEU 18 3HD2 LEU 18 -8.418 -5.726 6.582 117 HD22 LEU 18 1HD2 LEU 18 -7.180 -6.955 6.931 118 HD23 LEU 18 2HD2 LEU 18 -8.864 -7.219 7.428 119 H ALA 19 H ALA 19 -11.828 -5.675 6.435 120 HA ALA 19 HA ALA 19 -14.374 -5.613 4.931 121 HB1 ALA 19 3HB ALA 19 -15.667 -5.150 6.979 122 HB2 ALA 19 1HB ALA 19 -14.918 -6.757 7.016 123 HB3 ALA 19 2HB ALA 19 -14.213 -5.430 7.966 124 H GLY 20 H GLY 20 -12.305 -3.750 7.214 125 HA2 GLY 20 1HA GLY 20 -13.496 -1.208 6.400 126 HA3 GLY 20 2HA GLY 20 -12.110 -1.440 7.484 127 HA PRO 21 HA PRO 21 -10.737 0.115 3.214 128 HB3 PRO 21 1HB PRO 21 -11.498 2.270 3.388 129 HG3 PRO 21 1HG PRO 21 -11.948 3.253 5.496 130 HD3 PRO 21 1HD PRO 21 -13.103 1.187 5.577 131 H THR 22 H THR 22 -8.905 -0.966 2.909 132 HA THR 22 HA THR 22 -6.598 -0.680 4.811 133 HB THR 22 HB THR 22 -7.609 -3.295 3.614 134 HG1 THR 22 HG1 THR 22 -8.905 -2.534 5.298 135 HG21 THR 22 3HG2 THR 22 -5.159 -3.318 3.954 136 HG22 THR 22 1HG2 THR 22 -5.936 -4.291 5.204 137 HG23 THR 22 2HG2 THR 22 -5.347 -2.665 5.597 138 H LEU 23 H LEU 23 -4.947 0.123 3.748 139 HA LEU 23 HA LEU 23 -4.650 -0.298 0.858 140 HB3 LEU 23 1HB LEU 23 -3.039 1.355 2.843 141 HG LEU 23 HG LEU 23 -1.705 0.956 0.822 142 HD11 LEU 23 1HD1 LEU 23 -2.821 1.994 -1.375 143 HD12 LEU 23 2HD1 LEU 23 -4.300 1.498 -0.551 144 HD13 LEU 23 3HD1 LEU 23 -3.038 0.312 -0.902 145 HD21 LEU 23 3HD2 LEU 23 -2.988 3.708 0.795 146 HD22 LEU 23 1HD2 LEU 23 -1.419 3.262 0.069 147 HD23 LEU 23 2HD2 LEU 23 -1.623 3.160 1.826 148 H VAL 24 H VAL 24 -3.334 -1.813 0.036 149 HA VAL 24 HA VAL 24 -1.339 -3.160 1.814 150 HB VAL 24 HB VAL 24 -2.535 -4.206 -0.792 151 HG11 VAL 24 1HG1 VAL 24 -1.601 -6.381 -0.038 152 HG12 VAL 24 2HG1 VAL 24 -0.321 -5.178 -0.214 153 HG13 VAL 24 3HG1 VAL 24 -0.925 -5.599 1.405 154 HG21 VAL 24 3HG2 VAL 24 -4.342 -4.067 0.893 155 HG22 VAL 24 1HG2 VAL 24 -3.891 -5.725 0.537 156 HG23 VAL 24 2HG2 VAL 24 -3.342 -4.973 2.049 157 H GLU 25 H GLU 25 0.666 -2.518 1.519 158 HA GLU 25 HA GLU 25 1.504 -1.278 -1.061 159 HB3 GLU 25 1HB GLU 25 2.469 -0.929 1.806 160 HG3 GLU 25 1HG GLU 25 3.259 0.672 -0.661 161 H PHE 26 H PHE 26 3.057 -2.109 -2.235 162 HA PHE 26 HA PHE 26 4.677 -4.399 -1.211 163 HB3 PHE 26 1HB PHE 26 4.835 -5.079 -3.517 164 HD1 PHE 26 HD2 PHE 26 3.322 -6.616 -2.057 165 HD2 PHE 26 HD1 PHE 26 1.798 -3.313 -4.372 166 HE1 PHE 26 HE2 PHE 26 0.997 -7.462 -1.767 167 HE2 PHE 26 HE1 PHE 26 -0.502 -4.182 -4.093 168 HZ PHE 26 HZ PHE 26 -0.916 -6.221 -2.750 169 H GLY 27 H GLY 27 6.778 -4.050 -0.833 170 HA2 GLY 27 1HA GLY 27 8.553 -2.358 -2.295 171 HA3 GLY 27 2HA GLY 27 7.895 -1.469 -0.938 172 H THR 28 H THR 28 10.288 -1.450 -0.362 173 HA THR 28 HA THR 28 10.612 -3.395 1.814 174 HB THR 28 HB THR 28 13.007 -3.707 1.435 175 HG1 THR 28 HG1 THR 28 13.789 -3.140 -0.694 176 HG21 THR 28 3HG2 THR 28 11.425 -5.413 0.523 177 HG22 THR 28 1HG2 THR 28 12.982 -5.325 -0.323 178 HG23 THR 28 2HG2 THR 28 11.535 -4.614 -1.051 179 H ASP 29 H ASP 29 12.678 -2.619 3.115 180 HA ASP 29 HA ASP 29 12.077 0.127 3.935 181 HB3 ASP 29 1HB ASP 29 14.330 -1.614 4.994 182 H TRP 30 H TRP 30 14.194 -1.377 1.719 183 HA TRP 30 HA TRP 30 16.300 0.716 1.978 184 HB3 TRP 30 1HB TRP 30 17.019 -1.351 2.855 185 HD1 TRP 30 HD TRP 30 15.639 -3.478 3.290 186 HE1 TRP 30 HE1 TRP 30 15.071 -5.600 1.944 187 HE3 TRP 30 HE3 TRP 30 17.313 -1.999 -1.315 188 HZ2 TRP 30 HZ2 TRP 30 15.138 -6.447 -0.828 189 HZ3 TRP 30 HZ3 TRP 30 17.049 -3.457 -3.277 190 HH2 TRP 30 HH TRP 30 15.941 -5.691 -3.061 191 H CYS 31 H CYS 31 14.177 -0.702 -0.493 192 HA CYS 31 HA CYS 31 15.951 -0.178 -2.698 193 HB2 CYS 31 1HB CYS 31 14.077 -1.764 -2.841 194 HB3 CYS 31 2HB CYS 31 12.920 -0.446 -2.636 195 H GLY 32 H GLY 32 16.086 1.521 -4.117 196 HA2 GLY 32 1HA GLY 32 15.648 4.219 -3.185 197 HA3 GLY 32 2HA GLY 32 16.171 3.739 -4.806 198 H HIS 33 H HIS 33 13.633 2.069 -5.170 199 HA HIS 33 HA HIS 33 11.724 4.094 -6.022 200 HB2 HIS 33 1HB HIS 33 11.579 1.096 -5.465 201 HB3 HIS 33 2HB HIS 33 10.172 2.027 -5.887 202 HD1 HIS 33 HD1 HIS 33 11.842 -0.328 -7.617 203 HD2 HIS 33 HD2 HIS 33 11.072 3.736 -8.330 204 HE1 HIS 33 HE1 HIS 33 11.679 -0.068 -10.155 205 H CYS 34 H CYS 34 12.006 2.006 -3.143 206 HA CYS 34 HA CYS 34 9.625 3.045 -1.855 207 HB3 CYS 34 1HB CYS 34 10.965 1.917 0.162 208 HG CYS 34 HG CYS 34 8.657 1.148 -0.705 209 H GLN 35 H GLN 35 13.044 4.074 -1.720 210 HA GLN 35 HA GLN 35 12.666 5.617 0.665 211 HB3 GLN 35 1HB GLN 35 14.706 6.807 0.104 212 HG3 GLN 35 1HG GLN 35 16.295 5.102 -0.153 213 HE21 GLN 35 2HE2 GLN 35 14.158 2.474 0.100 214 HE22 GLN 35 1HE2 GLN 35 14.266 2.345 1.861 215 H ALA 36 H ALA 36 11.760 6.215 -2.581 216 HA ALA 36 HA ALA 36 11.126 9.077 -2.246 217 HB1 ALA 36 3HB ALA 36 11.978 8.195 -4.398 218 HB2 ALA 36 1HB ALA 36 10.612 7.079 -4.505 219 HB3 ALA 36 2HB ALA 36 10.330 8.827 -4.589 220 H ALA 37 H ALA 37 9.310 5.971 -2.475 221 HA ALA 37 HA ALA 37 6.734 7.308 -2.236 222 HB1 ALA 37 3HB ALA 37 7.077 5.284 -3.588 223 HB2 ALA 37 1HB ALA 37 7.455 4.369 -2.113 224 HB3 ALA 37 2HB ALA 37 5.822 5.060 -2.355 225 H GLN 38 H GLN 38 8.917 5.780 0.077 226 HA GLN 38 HA GLN 38 7.162 5.239 2.229 227 HB3 GLN 38 1HB GLN 38 9.356 5.829 3.578 228 HG3 GLN 38 1HG GLN 38 9.244 3.557 1.549 229 HE21 GLN 38 2HE2 GLN 38 10.798 1.629 2.335 230 HE22 GLN 38 1HE2 GLN 38 12.370 2.186 2.868 231 HA PRO 39 HA PRO 39 7.639 9.654 3.985 232 HB3 PRO 39 1HB PRO 39 9.718 10.568 3.566 233 HG3 PRO 39 1HG PRO 39 10.750 10.357 1.407 234 HD3 PRO 39 1HD PRO 39 10.307 8.182 2.235 235 H LEU 40 H LEU 40 6.785 9.004 0.666 236 HA LEU 40 HA LEU 40 4.972 11.229 0.254 237 HB3 LEU 40 1HB LEU 40 4.373 8.680 -1.147 238 HG LEU 40 HG LEU 40 4.568 9.792 -3.140 239 HD11 LEU 40 1HD1 LEU 40 3.098 11.570 -3.015 240 HD12 LEU 40 2HD1 LEU 40 3.755 12.192 -1.484 241 HD13 LEU 40 3HD1 LEU 40 2.755 10.738 -1.488 242 HD21 LEU 40 3HD2 LEU 40 6.802 10.710 -2.918 243 HD22 LEU 40 1HD2 LEU 40 6.217 11.974 -1.807 244 HD23 LEU 40 2HD2 LEU 40 5.682 11.950 -3.509 245 H LEU 41 H LEU 41 4.503 7.767 1.027 246 HA LEU 41 HA LEU 41 1.725 7.909 1.652 247 HB3 LEU 41 1HB LEU 41 2.406 5.861 3.175 248 HG LEU 41 HG LEU 41 2.179 4.310 1.457 249 HD11 LEU 41 1HD1 LEU 41 0.583 6.675 0.445 250 HD12 LEU 41 2HD1 LEU 41 0.167 5.677 1.856 251 HD13 LEU 41 3HD1 LEU 41 0.229 4.958 0.239 252 HD21 LEU 41 3HD2 LEU 41 3.129 6.448 -0.462 253 HD22 LEU 41 1HD2 LEU 41 2.443 4.886 -0.955 254 HD23 LEU 41 2HD2 LEU 41 3.945 4.967 -0.008 255 H ALA 42 H ALA 42 4.642 8.215 3.727 256 HA ALA 42 HA ALA 42 3.335 8.577 6.195 257 HB1 ALA 42 3HB ALA 42 5.872 9.979 5.260 258 HB2 ALA 42 1HB ALA 42 5.417 9.613 6.932 259 HB3 ALA 42 2HB ALA 42 5.807 8.299 5.810 260 H GLU 43 H GLU 43 3.889 11.063 3.679 261 HA GLU 43 HA GLU 43 2.861 13.252 5.287 262 HB3 GLU 43 1HB GLU 43 2.669 14.363 2.974 263 HG3 GLU 43 1HG GLU 43 5.231 14.340 2.680 264 H VAL 44 H VAL 44 1.362 11.219 2.683 265 HA VAL 44 HA VAL 44 -1.174 12.581 2.861 266 HB VAL 44 HB VAL 44 -0.757 11.505 0.844 267 HG11 VAL 44 1HG1 VAL 44 -0.598 8.784 2.158 268 HG12 VAL 44 2HG1 VAL 44 -0.490 9.204 0.431 269 HG13 VAL 44 3HG1 VAL 44 0.748 9.750 1.511 270 HG21 VAL 44 3HG2 VAL 44 -2.714 10.141 0.482 271 HG22 VAL 44 1HG2 VAL 44 -2.817 9.743 2.213 272 HG23 VAL 44 2HG2 VAL 44 -3.130 11.392 1.672 273 H PHE 45 H PHE 45 -0.091 9.476 4.274 274 HA PHE 45 HA PHE 45 -2.547 8.701 5.390 275 HB3 PHE 45 1HB PHE 45 -0.189 7.765 6.923 276 HD1 PHE 45 HD2 PHE 45 -2.767 6.915 7.606 277 HD2 PHE 45 HD1 PHE 45 -0.370 5.593 4.261 278 HE1 PHE 45 HE2 PHE 45 -4.073 4.859 7.490 279 HE2 PHE 45 HE1 PHE 45 -1.686 3.491 4.178 280 HZ PHE 45 HZ PHE 45 -3.543 3.110 5.779 281 H SER 46 H SER 46 -0.293 11.056 6.644 282 HA SER 46 HA SER 46 -1.033 11.039 9.413 283 HB3 SER 46 1HB SER 46 -0.272 13.430 9.358 284 HG SER 46 HG SER 46 1.563 11.716 7.984 285 H ASP 47 H ASP 47 -2.890 12.112 6.630 286 HA ASP 47 HA ASP 47 -4.855 13.506 8.397 287 HB3 ASP 47 1HB ASP 47 -4.931 13.254 5.381 288 H TYR 48 H TYR 48 -4.320 10.381 7.180 289 HA TYR 48 HA TYR 48 -7.213 9.638 7.435 290 HB3 TYR 48 1HB TYR 48 -7.051 8.181 5.544 291 HD1 TYR 48 HD1 TYR 48 -8.631 10.183 5.196 292 HD2 TYR 48 HD2 TYR 48 -4.493 10.187 4.021 293 HE1 TYR 48 HE1 TYR 48 -9.083 12.059 3.634 294 HE2 TYR 48 HE2 TYR 48 -4.904 12.190 2.581 295 HH TYR 48 HH TYR 48 -6.460 13.639 1.738 296 HA PRO 49 HA PRO 49 -4.178 6.817 9.864 297 HB3 PRO 49 1HB PRO 49 -3.655 8.251 11.577 298 HG3 PRO 49 1HG PRO 49 -5.115 10.033 12.193 299 HD3 PRO 49 1HD PRO 49 -4.697 10.223 9.878 300 H GLU 50 H GLU 50 -7.658 7.387 9.893 301 HA GLU 50 HA GLU 50 -8.451 4.949 11.138 302 HB3 GLU 50 1HB GLU 50 -9.906 6.904 10.852 303 HG3 GLU 50 1HG GLU 50 -10.143 6.067 7.918 304 H VAL 51 H VAL 51 -6.970 5.401 8.040 305 HA VAL 51 HA VAL 51 -8.079 2.939 6.844 306 HB VAL 51 HB VAL 51 -5.853 4.774 5.885 307 HG11 VAL 51 1HG1 VAL 51 -7.341 2.597 4.361 308 HG12 VAL 51 2HG1 VAL 51 -6.179 3.743 3.678 309 HG13 VAL 51 3HG1 VAL 51 -5.631 2.553 4.843 310 HG21 VAL 51 3HG2 VAL 51 -8.021 5.944 5.919 311 HG22 VAL 51 1HG2 VAL 51 -7.549 5.585 4.262 312 HG23 VAL 51 2HG2 VAL 51 -8.777 4.580 5.060 313 H GLY 52 H GLY 52 -6.892 0.969 6.631 314 HA2 GLY 52 1HA GLY 52 -4.670 0.518 8.555 315 HA3 GLY 52 2HA GLY 52 -5.524 -0.721 7.613 316 H HIS 53 H HIS 53 -2.573 -0.312 7.887 317 HA HIS 53 HA HIS 53 -2.025 -0.190 4.955 318 HB2 HIS 53 1HB HIS 53 -1.317 1.929 6.314 319 HB3 HIS 53 2HB HIS 53 -0.035 0.906 6.949 320 HD1 HIS 53 HD1 HIS 53 1.826 2.450 5.618 321 HD2 HIS 53 HD2 HIS 53 -1.068 0.547 3.238 322 HE1 HIS 53 HE1 HIS 53 2.623 2.619 3.162 323 H LEU 54 H LEU 54 -1.461 -2.218 4.398 324 HA LEU 54 HA LEU 54 0.259 -3.840 6.206 325 HB3 LEU 54 1HB LEU 54 -1.401 -4.513 3.758 326 HG LEU 54 HG LEU 54 0.516 -6.024 3.703 327 HD11 LEU 54 1HD1 LEU 54 1.298 -5.900 6.051 328 HD12 LEU 54 2HD1 LEU 54 1.030 -7.566 5.540 329 HD13 LEU 54 3HD1 LEU 54 -0.173 -6.762 6.581 330 HD21 LEU 54 3HD2 LEU 54 -1.771 -6.854 3.193 331 HD22 LEU 54 1HD2 LEU 54 -1.927 -7.401 4.871 332 HD23 LEU 54 2HD2 LEU 54 -0.697 -8.117 3.807 333 H LYS 55 H LYS 55 2.376 -3.639 5.978 334 HA LYS 55 HA LYS 55 3.544 -2.694 3.406 335 HB3 LYS 55 1HB LYS 55 5.634 -2.643 4.745 336 HG3 LYS 55 1HG LYS 55 4.299 -0.612 4.423 337 HD3 LYS 55 1HD LYS 55 2.373 -0.933 5.820 338 HE3 LYS 55 1HE LYS 55 4.382 -1.162 8.104 339 HZ1 LYS 55 3HZ LYS 55 2.393 -1.400 9.492 340 HZ2 LYS 55 1HZ LYS 55 1.396 -1.171 8.216 341 HZ3 LYS 55 2HZ LYS 55 2.341 0.058 8.767 342 H VAL 56 H VAL 56 3.713 -4.374 2.024 343 HA VAL 56 HA VAL 56 4.706 -7.033 2.966 344 HB VAL 56 HB VAL 56 3.828 -6.141 0.190 345 HG11 VAL 56 1HG1 VAL 56 5.324 -8.168 0.266 346 HG12 VAL 56 2HG1 VAL 56 4.121 -8.957 1.314 347 HG13 VAL 56 3HG1 VAL 56 3.718 -8.509 -0.352 348 HG21 VAL 56 3HG2 VAL 56 2.198 -7.638 2.290 349 HG22 VAL 56 1HG2 VAL 56 1.886 -5.990 1.693 350 HG23 VAL 56 2HG2 VAL 56 1.722 -7.363 0.604 351 H GLU 57 H GLU 57 6.686 -7.478 3.027 352 HA GLU 57 HA GLU 57 8.703 -5.849 1.762 353 HB3 GLU 57 1HB GLU 57 9.218 -8.488 3.150 354 HG3 GLU 57 1HG GLU 57 10.617 -5.799 3.049 355 H ASP 58 H ASP 58 8.013 -6.068 -0.394 356 HA ASP 58 HA ASP 58 7.872 -8.652 -1.755 357 HB3 ASP 58 1HB ASP 58 7.485 -5.877 -2.941 358 H GLY 59 H GLY 59 10.509 -7.874 -0.853 359 HA2 GLY 59 1HA GLY 59 12.084 -6.759 -3.046 360 HA3 GLY 59 2HA GLY 59 12.674 -7.349 -1.468 361 HA PRO 60 HA PRO 60 14.152 -10.951 -3.381 362 HB3 PRO 60 1HB PRO 60 14.678 -11.649 -1.217 363 HG3 PRO 60 1HG PRO 60 13.005 -11.719 0.495 364 HD3 PRO 60 1HD PRO 60 13.023 -9.503 -0.289 365 H GLY 61 H GLY 61 12.539 -10.516 -5.098 366 HA2 GLY 61 1HA GLY 61 11.194 -11.384 -6.820 367 HA3 GLY 61 2HA GLY 61 10.898 -12.860 -5.862 368 H ARG 62 H ARG 62 8.831 -11.769 -7.187 369 HA ARG 62 HA ARG 62 7.309 -9.874 -5.603 370 HB3 ARG 62 1HB ARG 62 5.475 -10.349 -7.125 371 HG3 ARG 62 1HG ARG 62 6.441 -9.994 -9.348 372 HD3 ARG 62 1HD ARG 62 6.358 -8.023 -7.753 373 HE ARG 62 HE ARG 62 8.072 -7.964 -6.247 374 HH11 ARG 62 1HH1 ARG 62 9.571 -8.514 -9.424 375 HH12 ARG 62 2HH1 ARG 62 11.184 -8.380 -8.793 376 HH21 ARG 62 1HH2 ARG 62 10.165 -7.880 -5.490 377 HH22 ARG 62 2HH2 ARG 62 11.519 -7.996 -6.577 378 H ARG 63 H ARG 63 6.309 -10.228 -3.784 379 HA ARG 63 HA ARG 63 5.773 -12.966 -2.791 380 HB3 ARG 63 1HB ARG 63 5.651 -10.323 -1.274 381 HG3 ARG 63 1HG ARG 63 6.334 -13.155 -0.332 382 HD3 ARG 63 1HD ARG 63 5.948 -12.246 1.934 383 HE ARG 63 HE ARG 63 7.846 -10.244 0.867 384 HH11 ARG 63 1HH1 ARG 63 7.585 -13.560 2.062 385 HH12 ARG 63 2HH1 ARG 63 9.305 -13.696 2.283 386 HH21 ARG 63 1HH2 ARG 63 9.940 -10.429 1.233 387 HH22 ARG 63 2HH2 ARG 63 10.647 -11.903 1.872 388 H LEU 64 H LEU 64 3.679 -10.826 -1.225 389 HA LEU 64 HA LEU 64 1.251 -11.855 -2.334 390 HB3 LEU 64 1HB LEU 64 1.730 -9.317 -0.754 391 HG LEU 64 HG LEU 64 -0.571 -9.509 -1.594 392 HD11 LEU 64 1HD1 LEU 64 -0.891 -11.902 -1.880 393 HD12 LEU 64 2HD1 LEU 64 -2.081 -11.299 -0.729 394 HD13 LEU 64 3HD1 LEU 64 -0.645 -12.180 -0.146 395 HD21 LEU 64 3HD2 LEU 64 -0.242 -10.025 1.383 396 HD22 LEU 64 1HD2 LEU 64 -1.707 -9.382 0.626 397 HD23 LEU 64 2HD2 LEU 64 -0.219 -8.448 0.568 398 H GLY 65 H GLY 65 3.229 -9.056 -3.369 399 HA2 GLY 65 1HA GLY 65 1.303 -7.798 -5.035 400 HA3 GLY 65 2HA GLY 65 3.060 -7.736 -5.237 401 H ARG 66 H ARG 66 2.988 -10.806 -5.549 402 HA ARG 66 HA ARG 66 2.669 -11.077 -8.400 403 HB3 ARG 66 1HB ARG 66 2.568 -13.264 -6.275 404 HG3 ARG 66 1HG ARG 66 3.807 -13.271 -9.054 405 HD3 ARG 66 1HD ARG 66 3.912 -15.701 -8.736 406 HE ARG 66 HE ARG 66 5.237 -14.116 -6.566 407 HH11 ARG 66 1HH1 ARG 66 5.366 -17.072 -8.527 408 HH12 ARG 66 2HH1 ARG 66 6.966 -17.454 -7.963 409 HH21 ARG 66 1HH2 ARG 66 7.212 -14.666 -5.896 410 HH22 ARG 66 2HH2 ARG 66 8.007 -16.112 -6.487 411 H SER 67 H SER 67 0.572 -11.891 -5.596 412 HA SER 67 HA SER 67 -1.536 -13.093 -7.171 413 HB3 SER 67 1HB SER 67 -2.750 -13.144 -5.054 414 HG SER 67 HG SER 67 -1.075 -14.659 -5.083 415 H PHE 68 H PHE 68 -0.851 -9.807 -6.086 416 HA PHE 68 HA PHE 68 -3.441 -8.731 -6.887 417 HB3 PHE 68 1HB PHE 68 -2.037 -6.535 -6.498 418 HD1 PHE 68 HD2 PHE 68 -1.388 -8.893 -3.743 419 HD2 PHE 68 HD1 PHE 68 -4.157 -6.126 -5.466 420 HE1 PHE 68 HE2 PHE 68 -2.653 -8.865 -1.604 421 HE2 PHE 68 HE1 PHE 68 -5.403 -6.019 -3.322 422 HZ PHE 68 HZ PHE 68 -4.662 -7.401 -1.383 423 H GLN 69 H GLN 69 -0.710 -9.697 -8.665 424 HA GLN 69 HA GLN 69 0.093 -9.294 -10.751 425 HB3 GLN 69 1HB GLN 69 -1.418 -8.750 -12.527 426 HG3 GLN 69 1HG GLN 69 -2.011 -10.889 -10.775 427 HE21 GLN 69 2HE2 GLN 69 -3.598 -10.446 -9.069 428 HE22 GLN 69 1HE2 GLN 69 -5.260 -10.105 -9.471 429 H VAL 70 H VAL 70 1.020 -7.556 -8.973 430 HA VAL 70 HA VAL 70 0.564 -4.785 -9.348 431 HB VAL 70 HB VAL 70 2.848 -6.410 -8.223 432 HG11 VAL 70 1HG1 VAL 70 4.035 -4.459 -8.995 433 HG12 VAL 70 2HG1 VAL 70 2.765 -3.383 -8.384 434 HG13 VAL 70 3HG1 VAL 70 3.784 -4.282 -7.254 435 HG21 VAL 70 3HG2 VAL 70 2.028 -5.561 -6.114 436 HG22 VAL 70 1HG2 VAL 70 0.894 -4.464 -6.928 437 HG23 VAL 70 2HG2 VAL 70 0.649 -6.212 -7.009 438 H LYS 71 H LYS 71 1.328 -3.241 -10.667 439 HA LYS 71 HA LYS 71 2.147 -4.168 -13.279 440 HB3 LYS 71 1HB LYS 71 1.573 -1.936 -14.016 441 HG3 LYS 71 1HG LYS 71 -0.669 -1.619 -13.250 442 HD3 LYS 71 1HD LYS 71 -0.001 -4.589 -13.166 443 HE3 LYS 71 1HE LYS 71 -2.658 -3.335 -13.909 444 HZ1 LYS 71 3HZ LYS 71 -1.893 -6.001 -12.843 445 HZ2 LYS 71 1HZ LYS 71 -2.183 -5.704 -14.433 446 HZ3 LYS 71 2HZ LYS 71 -3.405 -5.578 -13.356 447 H LEU 72 H LEU 72 3.588 -1.764 -11.074 448 HA LEU 72 HA LEU 72 6.202 -1.929 -12.530 449 HB3 LEU 72 1HB LEU 72 5.183 0.195 -10.611 450 HG LEU 72 HG LEU 72 7.719 0.168 -10.908 451 HD11 LEU 72 1HD1 LEU 72 8.614 0.914 -13.112 452 HD12 LEU 72 2HD1 LEU 72 7.004 0.708 -13.827 453 HD13 LEU 72 3HD1 LEU 72 7.896 -0.700 -13.188 454 HD21 LEU 72 3HD2 LEU 72 6.461 2.251 -10.412 455 HD22 LEU 72 1HD2 LEU 72 6.254 2.532 -12.158 456 HD23 LEU 72 2HD2 LEU 72 7.876 2.554 -11.424 457 H TRP 73 H TRP 73 6.486 -0.701 -9.474 458 HA TRP 73 HA TRP 73 6.292 -3.179 -7.966 459 HB3 TRP 73 1HB TRP 73 8.973 -1.793 -8.052 460 HD1 TRP 73 HD TRP 73 7.778 -5.393 -7.268 461 HE1 TRP 73 HE1 TRP 73 8.637 -6.054 -4.939 462 HE3 TRP 73 HE3 TRP 73 9.920 -0.947 -5.924 463 HZ2 TRP 73 HZ2 TRP 73 10.465 -4.930 -2.974 464 HZ3 TRP 73 HZ3 TRP 73 11.142 -0.752 -3.777 465 HH2 TRP 73 HH TRP 73 11.516 -2.735 -2.359 466 HA PRO 74 HA PRO 74 6.498 0.421 -4.907 467 HB3 PRO 74 1HB PRO 74 8.045 2.063 -5.301 468 HG3 PRO 74 1HG PRO 74 8.600 2.707 -7.564 469 HD3 PRO 74 1HD PRO 74 8.837 0.370 -7.509 470 H THR 75 H THR 75 4.431 -0.322 -4.843 471 HA THR 75 HA THR 75 2.202 1.084 -6.223 472 HB THR 75 HB THR 75 2.893 -1.885 -6.500 473 HG1 THR 75 HG1 THR 75 3.609 0.192 -7.877 474 HG21 THR 75 3HG2 THR 75 0.907 -1.891 -8.090 475 HG22 THR 75 1HG2 THR 75 0.457 -0.312 -7.419 476 HG23 THR 75 2HG2 THR 75 0.481 -1.750 -6.380 477 H PHE 76 H PHE 76 0.365 0.980 -5.103 478 HA PHE 76 HA PHE 76 0.086 -0.914 -2.884 479 HB3 PHE 76 1HB PHE 76 0.899 0.727 -1.489 480 HD1 PHE 76 HD1 PHE 76 2.651 1.859 -2.820 481 HD2 PHE 76 HD2 PHE 76 -1.401 3.292 -2.486 482 HE1 PHE 76 HE1 PHE 76 3.374 4.074 -3.715 483 HE2 PHE 76 HE2 PHE 76 -0.670 5.498 -3.284 484 HZ PHE 76 HZ PHE 76 1.686 5.876 -3.983 485 H VAL 77 H VAL 77 -1.833 -1.708 -2.684 486 HA VAL 77 HA VAL 77 -3.993 -0.784 -4.524 487 HB VAL 77 HB VAL 77 -3.494 -3.526 -3.278 488 HG11 VAL 77 1HG1 VAL 77 -5.892 -3.210 -3.584 489 HG12 VAL 77 2HG1 VAL 77 -5.639 -2.554 -5.217 490 HG13 VAL 77 3HG1 VAL 77 -5.309 -4.256 -4.891 491 HG21 VAL 77 3HG2 VAL 77 -2.885 -4.232 -5.527 492 HG22 VAL 77 1HG2 VAL 77 -3.274 -2.651 -6.193 493 HG23 VAL 77 2HG2 VAL 77 -1.883 -2.844 -5.135 494 H PHE 78 H PHE 78 -5.804 0.023 -3.741 495 HA PHE 78 HA PHE 78 -6.221 0.125 -0.796 496 HB3 PHE 78 1HB PHE 78 -8.003 1.752 -1.366 497 HD1 PHE 78 HD2 PHE 78 -5.225 2.176 -3.843 498 HD2 PHE 78 HD1 PHE 78 -6.822 3.410 -0.029 499 HE1 PHE 78 HE2 PHE 78 -3.438 3.880 -3.631 500 HE2 PHE 78 HE1 PHE 78 -5.060 5.181 0.104 501 HZ PHE 78 HZ PHE 78 -3.400 5.410 -1.732 502 H LEU 79 H LEU 79 -7.300 -1.504 0.076 503 HA LEU 79 HA LEU 79 -9.510 -2.821 -1.417 504 HB3 LEU 79 1HB LEU 79 -9.488 -4.505 0.370 505 HG LEU 79 HG LEU 79 -6.650 -4.165 -0.559 506 HD11 LEU 79 1HD1 LEU 79 -7.068 -5.900 1.186 507 HD12 LEU 79 2HD1 LEU 79 -6.647 -6.659 -0.374 508 HD13 LEU 79 3HD1 LEU 79 -8.338 -6.603 0.145 509 HD21 LEU 79 3HD2 LEU 79 -8.969 -5.448 -2.005 510 HD22 LEU 79 1HD2 LEU 79 -7.294 -5.750 -2.437 511 HD23 LEU 79 2HD2 LEU 79 -7.923 -4.112 -2.585 512 H ARG 80 H ARG 80 -11.399 -3.174 -0.334 513 HA ARG 80 HA ARG 80 -12.138 -2.218 2.269 514 HB3 ARG 80 1HB ARG 80 -13.669 -0.784 0.081 515 HG3 ARG 80 1HG ARG 80 -13.226 -0.299 3.054 516 HD3 ARG 80 1HD ARG 80 -14.733 1.439 1.054 517 HE ARG 80 HE ARG 80 -15.353 1.273 3.636 518 HH11 ARG 80 1HH1 ARG 80 -13.489 3.913 2.088 519 HH12 ARG 80 2HH1 ARG 80 -14.025 5.046 3.286 520 HH21 ARG 80 1HH2 ARG 80 -15.936 2.816 5.118 521 HH22 ARG 80 2HH2 ARG 80 -15.345 4.447 4.959 522 H ASP 81 H ASP 81 -13.863 -3.472 2.975 523 HA ASP 81 HA ASP 81 -15.071 -5.400 3.042 524 HB3 ASP 81 1HB ASP 81 -15.696 -5.175 0.092 525 H GLY 82 H GLY 82 -12.220 -5.450 2.597 526 HA2 GLY 82 1HA GLY 82 -10.427 -6.724 1.894 527 HA3 GLY 82 2HA GLY 82 -11.564 -8.093 1.813 528 H ARG 83 H ARG 83 -12.145 -5.364 -0.289 529 HA ARG 83 HA ARG 83 -11.269 -6.934 -2.681 530 HB3 ARG 83 1HB ARG 83 -13.539 -6.071 -3.625 531 HG3 ARG 83 1HG ARG 83 -13.107 -8.295 -1.635 532 HD3 ARG 83 1HD ARG 83 -15.760 -7.671 -2.986 533 HE ARG 83 HE ARG 83 -15.976 -9.943 -2.889 534 HH11 ARG 83 1HH1 ARG 83 -14.261 -9.072 0.123 535 HH12 ARG 83 2HH1 ARG 83 -13.918 -10.761 0.460 536 HH21 ARG 83 1HH2 ARG 83 -15.544 -12.074 -2.259 537 HH22 ARG 83 2HH2 ARG 83 -14.526 -12.342 -0.855 538 H GLU 84 H GLU 84 -10.493 -5.796 -4.314 539 HA GLU 84 HA GLU 84 -9.386 -3.261 -3.796 540 HB3 GLU 84 1HB GLU 84 -9.637 -4.754 -6.409 541 HG3 GLU 84 1HG GLU 84 -7.958 -2.336 -5.687 542 H VAL 85 H VAL 85 -10.224 -1.409 -3.601 543 HA VAL 85 HA VAL 85 -12.540 -0.512 -5.246 544 HB VAL 85 HB VAL 85 -12.511 1.506 -3.779 545 HG11 VAL 85 1HG1 VAL 85 -13.626 0.433 -1.926 546 HG12 VAL 85 2HG1 VAL 85 -14.021 -0.432 -3.411 547 HG13 VAL 85 3HG1 VAL 85 -12.829 -1.129 -2.291 548 HG21 VAL 85 3HG2 VAL 85 -11.300 1.559 -1.703 549 HG22 VAL 85 1HG2 VAL 85 -10.658 -0.071 -1.938 550 HG23 VAL 85 2HG2 VAL 85 -10.095 1.263 -2.958 551 H ALA 86 H ALA 86 -9.097 -0.155 -4.936 552 HA ALA 86 HA ALA 86 -8.761 1.156 -7.456 553 HB1 ALA 86 3HB ALA 86 -7.763 3.289 -6.532 554 HB2 ALA 86 1HB ALA 86 -9.496 3.177 -6.222 555 HB3 ALA 86 2HB ALA 86 -8.318 2.802 -4.927 556 H ARG 87 H ARG 87 -6.391 1.930 -7.620 557 HA ARG 87 HA ARG 87 -4.602 1.170 -5.505 558 HB3 ARG 87 1HB ARG 87 -4.716 -0.963 -6.664 559 HG3 ARG 87 1HG ARG 87 -3.555 0.566 -9.046 560 HD3 ARG 87 1HD ARG 87 -2.434 -1.587 -8.325 561 HE ARG 87 HE ARG 87 -5.101 -2.643 -8.560 562 HH11 ARG 87 1HH1 ARG 87 -1.774 -3.602 -9.429 563 HH12 ARG 87 2HH1 ARG 87 -2.197 -5.300 -9.356 564 HH21 ARG 87 1HH2 ARG 87 -5.463 -4.820 -8.345 565 HH22 ARG 87 2HH2 ARG 87 -4.192 -5.963 -8.782 566 H VAL 88 H VAL 88 -2.550 2.119 -5.724 567 HA VAL 88 HA VAL 88 -2.261 4.197 -7.897 568 HB VAL 88 HB VAL 88 -1.585 4.381 -4.978 569 HG11 VAL 88 1HG1 VAL 88 0.268 5.443 -6.194 570 HG12 VAL 88 2HG1 VAL 88 -0.878 6.340 -7.214 571 HG13 VAL 88 3HG1 VAL 88 -0.728 6.717 -5.486 572 HG21 VAL 88 3HG2 VAL 88 -3.041 6.234 -4.749 573 HG22 VAL 88 1HG2 VAL 88 -3.341 6.303 -6.514 574 HG23 VAL 88 2HG2 VAL 88 -3.955 4.953 -5.544 575 H VAL 89 H VAL 89 -0.300 4.243 -8.863 576 HA VAL 89 HA VAL 89 1.958 2.631 -7.827 577 HB VAL 89 HB VAL 89 1.009 1.060 -9.295 578 HG11 VAL 89 1HG1 VAL 89 0.371 1.456 -11.645 579 HG12 VAL 89 2HG1 VAL 89 -0.629 2.369 -10.515 580 HG13 VAL 89 3HG1 VAL 89 0.658 3.194 -11.422 581 HG21 VAL 89 3HG2 VAL 89 3.491 1.513 -9.635 582 HG22 VAL 89 1HG2 VAL 89 2.665 0.714 -10.988 583 HG23 VAL 89 2HG2 VAL 89 3.059 2.446 -11.079 584 H ARG 90 H ARG 90 3.913 3.506 -8.185 585 HA ARG 90 HA ARG 90 5.466 5.099 -8.549 586 HB3 ARG 90 1HB ARG 90 4.069 5.645 -11.195 587 HG3 ARG 90 1HG ARG 90 7.027 5.474 -10.425 588 HD3 ARG 90 1HD ARG 90 5.613 6.367 -12.989 589 HE ARG 90 HE ARG 90 8.241 6.972 -12.067 590 HH11 ARG 90 1HH1 ARG 90 6.750 5.675 -15.013 591 HH12 ARG 90 2HH1 ARG 90 8.018 6.310 -16.024 592 HH21 ARG 90 1HH2 ARG 90 9.834 7.724 -13.428 593 HH22 ARG 90 2HH2 ARG 90 9.731 7.437 -15.139 594 HA PRO 91 HA PRO 91 2.269 8.393 -7.181 595 HB3 PRO 91 1HB PRO 91 2.251 7.708 -5.061 596 HG3 PRO 91 1HG PRO 91 4.090 6.559 -4.072 597 HD3 PRO 91 1HD PRO 91 3.554 5.379 -6.073 598 H GLY 92 H GLY 92 2.620 10.279 -8.306 599 HA2 GLY 92 1HA GLY 92 5.293 11.187 -8.984 600 HA3 GLY 92 2HA GLY 92 3.742 11.919 -9.465 601 H SER 93 H SER 93 2.885 12.234 -6.665 602 HA SER 93 HA SER 93 4.643 13.768 -5.060 603 HB3 SER 93 1HB SER 93 2.628 15.494 -6.552 604 HG SER 93 HG SER 93 3.873 17.164 -5.510 605 H ALA 94 H ALA 94 3.402 14.770 -3.211 606 HA ALA 94 HA ALA 94 1.483 13.005 -2.103 607 HB1 ALA 94 3HB ALA 94 2.053 15.947 -1.485 608 HB2 ALA 94 1HB ALA 94 1.231 14.796 -0.407 609 HB3 ALA 94 2HB ALA 94 2.939 14.561 -0.810 610 H SER 95 H SER 95 0.913 15.922 -4.102 611 HA SER 95 HA SER 95 -1.894 16.162 -3.732 612 HB3 SER 95 1HB SER 95 -0.651 17.817 -4.923 613 HG SER 95 HG SER 95 0.246 17.325 -7.011 614 H VAL 96 H VAL 96 -0.082 13.846 -5.759 615 HA VAL 96 HA VAL 96 -2.477 12.813 -7.106 616 HB VAL 96 HB VAL 96 0.369 11.691 -7.001 617 HG11 VAL 96 1HG1 VAL 96 -1.933 11.100 -8.899 618 HG12 VAL 96 2HG1 VAL 96 -0.255 10.537 -9.104 619 HG13 VAL 96 3HG1 VAL 96 -1.208 9.979 -7.722 620 HG21 VAL 96 3HG2 VAL 96 -0.907 13.544 -9.065 621 HG22 VAL 96 1HG2 VAL 96 0.452 13.935 -7.990 622 HG23 VAL 96 2HG2 VAL 96 0.666 12.726 -9.248 623 H LEU 97 H LEU 97 -0.309 11.794 -4.439 624 HA LEU 97 HA LEU 97 -1.660 9.265 -4.019 625 HB3 LEU 97 1HB LEU 97 -0.227 10.353 -1.703 626 HG LEU 97 HG LEU 97 0.427 8.113 -3.712 627 HD11 LEU 97 1HD1 LEU 97 1.569 8.619 -0.946 628 HD12 LEU 97 2HD1 LEU 97 2.402 8.745 -2.523 629 HD13 LEU 97 3HD1 LEU 97 1.826 7.179 -1.975 630 HD21 LEU 97 3HD2 LEU 97 -0.454 6.768 -1.567 631 HD22 LEU 97 1HD2 LEU 97 -1.610 7.435 -2.732 632 HD23 LEU 97 2HD2 LEU 97 -1.281 8.288 -1.231 633 H GLU 98 H GLU 98 -1.827 12.380 -2.259 634 HA GLU 98 HA GLU 98 -3.922 11.759 -0.505 635 HB3 GLU 98 1HB GLU 98 -4.399 14.242 -0.564 636 HG3 GLU 98 1HG GLU 98 -1.430 13.558 -0.265 637 H GLU 99 H GLU 99 -4.160 12.963 -3.887 638 HA GLU 99 HA GLU 99 -6.942 13.310 -4.058 639 HB3 GLU 99 1HB GLU 99 -4.842 12.483 -6.083 640 HG3 GLU 99 1HG GLU 99 -7.768 13.018 -6.590 641 H ALA 100 H ALA 100 -5.044 10.317 -4.302 642 HA ALA 100 HA ALA 100 -7.402 8.692 -4.953 643 HB1 ALA 100 3HB ALA 100 -4.585 7.920 -4.098 644 HB2 ALA 100 1HB ALA 100 -5.839 6.808 -4.705 645 HB3 ALA 100 2HB ALA 100 -5.191 8.075 -5.773 646 H PHE 101 H PHE 101 -5.395 9.279 -1.995 647 HA PHE 101 HA PHE 101 -6.723 7.480 -0.283 648 HB3 PHE 101 1HB PHE 101 -6.110 9.476 1.400 649 HD1 PHE 101 HD1 PHE 101 -3.553 7.803 -0.915 650 HD2 PHE 101 HD2 PHE 101 -5.443 7.909 2.986 651 HE1 PHE 101 HE1 PHE 101 -1.943 6.187 -0.061 652 HE2 PHE 101 HE2 PHE 101 -3.801 6.256 3.811 653 HZ PHE 101 HZ PHE 101 -2.031 5.395 2.249 654 H GLU 102 H GLU 102 -7.497 10.963 -0.799 655 HA GLU 102 HA GLU 102 -9.766 11.069 0.878 656 HB3 GLU 102 1HB GLU 102 -8.811 13.088 0.108 657 HG3 GLU 102 1HG GLU 102 -8.580 12.019 -2.438 658 H SER 103 H SER 103 -9.496 9.906 -2.462 659 HA SER 103 HA SER 103 -12.342 9.846 -2.941 660 HB3 SER 103 1HB SER 103 -10.109 8.400 -4.396 661 HG SER 103 HG SER 103 -11.611 8.600 -6.154 662 H LEU 104 H LEU 104 -10.003 7.559 -1.606 663 HA LEU 104 HA LEU 104 -11.980 5.316 -1.731 664 HB3 LEU 104 1HB LEU 104 -10.026 3.970 -0.858 665 HG LEU 104 HG LEU 104 -9.094 3.489 -2.860 666 HD11 LEU 104 1HD1 LEU 104 -10.774 3.513 -4.540 667 HD12 LEU 104 2HD1 LEU 104 -11.475 5.026 -3.938 668 HD13 LEU 104 3HD1 LEU 104 -11.643 3.522 -3.006 669 HD21 LEU 104 3HD2 LEU 104 -8.664 5.029 -4.735 670 HD22 LEU 104 1HD2 LEU 104 -7.905 5.595 -3.252 671 HD23 LEU 104 2HD2 LEU 104 -9.431 6.336 -3.860 672 H VAL 105 H VAL 105 -10.447 7.403 0.626 673 HA VAL 105 HA VAL 105 -11.581 6.031 2.906 674 HB VAL 105 HB VAL 105 -9.625 7.812 2.710 675 HG11 VAL 105 1HG1 VAL 105 -11.072 9.698 1.979 676 HG12 VAL 105 2HG1 VAL 105 -11.917 9.619 3.542 677 HG13 VAL 105 3HG1 VAL 105 -10.208 10.026 3.497 678 HG21 VAL 105 3HG2 VAL 105 -10.247 6.489 4.672 679 HG22 VAL 105 1HG2 VAL 105 -9.652 8.101 5.050 680 HG23 VAL 105 2HG2 VAL 105 -11.402 7.758 5.150 681 H GLY 106 H GLY 106 -12.750 8.470 0.629 682 HA2 GLY 106 1HA GLY 106 -15.001 8.840 0.100 683 HA3 GLY 106 2HA GLY 106 -15.506 8.273 1.707 684 H GLU 107 H GLU 107 -12.948 10.683 1.349 685 HA GLU 107 HA GLU 107 -14.621 12.590 2.898 686 HB3 GLU 107 1HB GLU 107 -12.226 13.788 2.912 687 HG3 GLU 107 1HG GLU 107 -11.545 12.336 4.865 688 H GLY 108 H GLY 108 -13.298 12.335 -0.334 689 HA2 GLY 108 1HA GLY 108 -13.766 13.600 -2.209 690 HA3 GLY 108 2HA GLY 108 -14.893 14.563 -1.240 Start of MODEL 13 1 H1 MET 1 H MET 1 12.343 6.859 3.654 2 HA MET 1 HA MET 1 13.054 4.678 5.034 3 HB3 MET 1 1HB MET 1 14.581 6.500 4.449 4 HG3 MET 1 1HG MET 1 13.558 7.889 6.965 5 HE1 MET 1 3HE MET 1 14.103 10.810 5.984 6 HE2 MET 1 1HE MET 1 14.412 10.242 7.644 7 HE3 MET 1 2HE MET 1 15.668 11.142 6.747 8 H LYS 2 H LYS 2 10.702 6.775 6.309 9 HA LYS 2 HA LYS 2 11.110 6.297 9.135 10 HB3 LYS 2 1HB LYS 2 8.673 7.262 7.572 11 HG3 LYS 2 1HG LYS 2 8.084 6.720 9.948 12 HD3 LYS 2 1HD LYS 2 10.174 8.846 10.593 13 HE3 LYS 2 1HE LYS 2 8.168 7.387 12.376 14 HZ1 LYS 2 3HZ LYS 2 10.251 7.927 13.514 15 HZ2 LYS 2 1HZ LYS 2 9.062 8.886 14.077 16 HZ3 LYS 2 2HZ LYS 2 10.172 9.489 13.041 17 H THR 3 H THR 3 9.019 4.817 6.691 18 HA THR 3 HA THR 3 7.608 3.025 8.446 19 HB THR 3 HB THR 3 7.890 2.571 5.476 20 HG1 THR 3 HG1 THR 3 6.225 4.241 5.282 21 HG21 THR 3 3HG2 THR 3 6.291 1.122 6.665 22 HG22 THR 3 1HG2 THR 3 5.420 2.257 5.637 23 HG23 THR 3 2HG2 THR 3 5.507 2.538 7.390 24 H ARG 4 H ARG 4 7.600 0.622 7.899 25 HA ARG 4 HA ARG 4 10.108 -0.612 7.050 26 HB3 ARG 4 1HB ARG 4 10.654 -0.225 9.304 27 HG3 ARG 4 1HG ARG 4 8.582 -2.084 10.415 28 HD3 ARG 4 1HD ARG 4 10.542 -0.989 11.610 29 HE ARG 4 HE ARG 4 9.352 1.423 10.661 30 HH11 ARG 4 1HH1 ARG 4 10.731 0.241 13.696 31 HH12 ARG 4 2HH1 ARG 4 11.240 1.830 14.184 32 HH21 ARG 4 1HH2 ARG 4 10.109 3.435 11.309 33 HH22 ARG 4 2HH2 ARG 4 10.885 3.603 12.858 34 H TYR 5 H TYR 5 9.926 -2.860 6.685 35 HA TYR 5 HA TYR 5 7.170 -3.572 5.789 36 HB3 TYR 5 1HB TYR 5 8.677 -5.011 4.158 37 HD1 TYR 5 HD1 TYR 5 9.331 -1.313 4.506 38 HD2 TYR 5 HD2 TYR 5 7.286 -4.479 2.433 39 HE1 TYR 5 HE1 TYR 5 8.392 0.350 2.906 40 HE2 TYR 5 HE2 TYR 5 6.338 -2.807 0.826 41 HH TYR 5 HH TYR 5 6.419 -0.593 0.097 42 H SER 6 H SER 6 6.672 -5.898 5.425 43 HA SER 6 HA SER 6 8.146 -7.733 7.251 44 HB3 SER 6 1HB SER 6 5.128 -7.529 7.036 45 HG SER 6 HG SER 6 5.365 -8.932 8.956 46 H ALA 7 H ALA 7 8.584 -9.679 6.512 47 HA ALA 7 HA ALA 7 7.592 -10.631 3.916 48 HB1 ALA 7 3HB ALA 7 9.204 -12.443 4.335 49 HB2 ALA 7 1HB ALA 7 9.970 -10.873 4.651 50 HB3 ALA 7 2HB ALA 7 9.429 -11.902 5.998 51 H GLU 8 H GLU 8 6.371 -10.758 7.099 52 HA GLU 8 HA GLU 8 5.331 -13.502 6.930 53 HB3 GLU 8 1HB GLU 8 4.661 -13.146 9.264 54 HG3 GLU 8 1HG GLU 8 7.490 -12.128 8.843 55 H ALA 9 H ALA 9 4.293 -11.356 5.155 56 HA ALA 9 HA ALA 9 1.661 -10.583 5.962 57 HB1 ALA 9 3HB ALA 9 2.815 -9.319 4.275 58 HB2 ALA 9 1HB ALA 9 3.030 -10.727 3.231 59 HB3 ALA 9 2HB ALA 9 1.407 -10.074 3.479 60 HA PRO 10 HA PRO 10 -0.836 -14.135 5.141 61 HB3 PRO 10 1HB PRO 10 -2.609 -12.872 5.927 62 HG3 PRO 10 1HG PRO 10 -2.890 -10.544 5.241 63 HD3 PRO 10 1HD PRO 10 -0.770 -10.853 6.288 64 H ALA 11 H ALA 11 -1.895 -15.406 3.480 65 HA ALA 11 HA ALA 11 -1.048 -14.935 0.702 66 HB1 ALA 11 3HB ALA 11 -2.952 -16.992 1.917 67 HB2 ALA 11 1HB ALA 11 -2.290 -17.038 0.269 68 HB3 ALA 11 2HB ALA 11 -1.215 -17.225 1.668 69 H ARG 12 H ARG 12 -2.676 -14.842 -1.090 70 HA ARG 12 HA ARG 12 -4.237 -12.535 -0.797 71 HB3 ARG 12 1HB ARG 12 -5.061 -14.353 -3.010 72 HG3 ARG 12 1HG ARG 12 -4.462 -12.476 -4.433 73 HD3 ARG 12 1HD ARG 12 -5.733 -10.552 -3.570 74 HE ARG 12 HE ARG 12 -6.872 -12.978 -4.114 75 HH11 ARG 12 1HH1 ARG 12 -7.779 -10.373 -1.861 76 HH12 ARG 12 2HH1 ARG 12 -9.465 -10.846 -1.937 77 HH21 ARG 12 1HH2 ARG 12 -9.116 -13.436 -4.105 78 HH22 ARG 12 2HH2 ARG 12 -10.157 -12.445 -3.105 79 H ASP 13 H ASP 13 -5.282 -15.942 -0.555 80 HA ASP 13 HA ASP 13 -8.092 -15.372 -0.330 81 HB3 ASP 13 1HB ASP 13 -6.508 -17.780 0.632 82 H GLU 14 H GLU 14 -5.490 -15.699 2.119 83 HA GLU 14 HA GLU 14 -7.226 -15.605 4.442 84 HB3 GLU 14 1HB GLU 14 -5.083 -15.046 5.604 85 HG3 GLU 14 1HG GLU 14 -4.758 -17.324 3.617 86 H LEU 15 H LEU 15 -5.622 -13.229 2.405 87 HA LEU 15 HA LEU 15 -6.222 -10.833 3.934 88 HB3 LEU 15 1HB LEU 15 -5.248 -11.443 1.103 89 HG LEU 15 HG LEU 15 -5.347 -8.811 2.603 90 HD11 LEU 15 1HD1 LEU 15 -3.504 -8.013 1.127 91 HD12 LEU 15 2HD1 LEU 15 -3.245 -9.680 0.566 92 HD13 LEU 15 3HD1 LEU 15 -2.967 -9.248 2.266 93 HD21 LEU 15 3HD2 LEU 15 -5.709 -7.960 0.296 94 HD22 LEU 15 1HD2 LEU 15 -6.965 -9.105 0.756 95 HD23 LEU 15 2HD2 LEU 15 -5.648 -9.605 -0.345 96 H ASP 16 H ASP 16 -7.875 -12.606 1.313 97 HA ASP 16 HA ASP 16 -9.844 -10.700 0.628 98 HB3 ASP 16 1HB ASP 16 -10.288 -13.701 0.796 99 H ARG 17 H ARG 17 -9.494 -12.481 3.573 100 HA ARG 17 HA ARG 17 -12.257 -12.410 4.470 101 HB3 ARG 17 1HB ARG 17 -11.368 -13.133 6.599 102 HG3 ARG 17 1HG ARG 17 -10.094 -15.146 6.056 103 HD3 ARG 17 1HD ARG 17 -12.195 -14.719 3.900 104 HE ARG 17 HE ARG 17 -11.580 -17.285 5.280 105 HH11 ARG 17 1HH1 ARG 17 -11.415 -15.513 2.215 106 HH12 ARG 17 2HH1 ARG 17 -10.756 -16.894 1.370 107 HH21 ARG 17 1HH2 ARG 17 -10.679 -18.977 4.120 108 HH22 ARG 17 2HH2 ARG 17 -10.220 -18.727 2.459 109 H LEU 18 H LEU 18 -9.764 -9.986 4.272 110 HA LEU 18 HA LEU 18 -10.553 -8.516 6.626 111 HB3 LEU 18 1HB LEU 18 -8.356 -8.326 5.506 112 HG LEU 18 HG LEU 18 -9.200 -7.737 3.115 113 HD11 LEU 18 1HD1 LEU 18 -9.500 -5.015 4.454 114 HD12 LEU 18 2HD1 LEU 18 -10.745 -5.878 3.522 115 HD13 LEU 18 3HD1 LEU 18 -9.327 -5.240 2.711 116 HD21 LEU 18 3HD2 LEU 18 -6.838 -7.622 3.900 117 HD22 LEU 18 1HD2 LEU 18 -7.128 -5.985 4.493 118 HD23 LEU 18 2HD2 LEU 18 -7.203 -6.338 2.743 119 H ALA 19 H ALA 19 -11.522 -6.325 6.671 120 HA ALA 19 HA ALA 19 -13.656 -5.904 4.606 121 HB1 ALA 19 3HB ALA 19 -14.122 -6.077 7.616 122 HB2 ALA 19 1HB ALA 19 -15.338 -5.713 6.361 123 HB3 ALA 19 2HB ALA 19 -14.581 -7.312 6.429 124 H GLY 20 H GLY 20 -11.634 -4.389 7.111 125 HA2 GLY 20 1HA GLY 20 -12.924 -1.785 6.786 126 HA3 GLY 20 2HA GLY 20 -11.443 -2.127 7.711 127 HA PRO 21 HA PRO 21 -10.384 0.036 3.567 128 HB3 PRO 21 1HB PRO 21 -10.304 2.354 3.840 129 HG3 PRO 21 1HG PRO 21 -12.476 1.915 4.676 130 HD3 PRO 21 1HD PRO 21 -12.830 0.330 6.370 131 H THR 22 H THR 22 -8.532 -1.037 3.087 132 HA THR 22 HA THR 22 -6.166 -0.863 4.926 133 HB THR 22 HB THR 22 -7.141 -3.432 3.609 134 HG1 THR 22 HG1 THR 22 -8.415 -2.821 5.376 135 HG21 THR 22 3HG2 THR 22 -4.706 -3.403 3.842 136 HG22 THR 22 1HG2 THR 22 -5.383 -4.443 5.088 137 HG23 THR 22 2HG2 THR 22 -4.835 -2.807 5.506 138 H LEU 23 H LEU 23 -4.499 -0.098 3.863 139 HA LEU 23 HA LEU 23 -4.334 -0.325 0.928 140 HB3 LEU 23 1HB LEU 23 -2.632 1.179 2.957 141 HG LEU 23 HG LEU 23 -1.392 0.833 0.853 142 HD11 LEU 23 1HD1 LEU 23 -2.552 2.055 -1.218 143 HD12 LEU 23 2HD1 LEU 23 -4.016 1.612 -0.347 144 HD13 LEU 23 3HD1 LEU 23 -2.850 0.362 -0.816 145 HD21 LEU 23 3HD2 LEU 23 -1.177 2.975 2.021 146 HD22 LEU 23 1HD2 LEU 23 -2.501 3.637 1.021 147 HD23 LEU 23 2HD2 LEU 23 -0.967 3.133 0.268 148 H VAL 24 H VAL 24 -3.243 -1.951 0.021 149 HA VAL 24 HA VAL 24 -1.195 -3.446 1.607 150 HB VAL 24 HB VAL 24 -2.462 -4.357 -1.001 151 HG11 VAL 24 1HG1 VAL 24 -1.641 -6.571 -0.295 152 HG12 VAL 24 2HG1 VAL 24 -0.291 -5.430 -0.331 153 HG13 VAL 24 3HG1 VAL 24 -1.016 -5.884 1.221 154 HG21 VAL 24 3HG2 VAL 24 -4.289 -4.136 0.617 155 HG22 VAL 24 1HG2 VAL 24 -3.924 -5.827 0.322 156 HG23 VAL 24 2HG2 VAL 24 -3.357 -5.059 1.827 157 H GLU 25 H GLU 25 0.763 -2.875 1.371 158 HA GLU 25 HA GLU 25 1.673 -1.358 -1.031 159 HB3 GLU 25 1HB GLU 25 2.215 -1.298 1.950 160 HG3 GLU 25 1HG GLU 25 4.472 -1.163 0.893 161 H PHE 26 H PHE 26 3.255 -2.131 -2.263 162 HA PHE 26 HA PHE 26 4.684 -4.613 -1.423 163 HB3 PHE 26 1HB PHE 26 4.806 -5.075 -3.846 164 HD1 PHE 26 HD1 PHE 26 3.699 -6.914 -2.513 165 HD2 PHE 26 HD2 PHE 26 1.500 -3.535 -4.040 166 HE1 PHE 26 HE1 PHE 26 1.562 -8.121 -2.138 167 HE2 PHE 26 HE2 PHE 26 -0.632 -4.749 -3.652 168 HZ PHE 26 HZ PHE 26 -0.594 -7.027 -2.657 169 H GLY 27 H GLY 27 6.836 -4.531 -1.185 170 HA2 GLY 27 1HA GLY 27 8.765 -3.277 -2.722 171 HA3 GLY 27 2HA GLY 27 8.288 -2.054 -1.565 172 H THR 28 H THR 28 10.332 -2.077 -0.530 173 HA THR 28 HA THR 28 10.606 -4.079 1.614 174 HB THR 28 HB THR 28 13.031 -4.346 1.298 175 HG1 THR 28 HG1 THR 28 13.898 -3.673 -0.735 176 HG21 THR 28 3HG2 THR 28 13.067 -5.878 -0.540 177 HG22 THR 28 1HG2 THR 28 11.644 -5.127 -1.285 178 HG23 THR 28 2HG2 THR 28 11.496 -6.009 0.250 179 H ASP 29 H ASP 29 12.546 -3.215 3.105 180 HA ASP 29 HA ASP 29 11.853 -0.400 3.669 181 HB3 ASP 29 1HB ASP 29 11.879 -2.020 5.497 182 H TRP 30 H TRP 30 14.034 -1.895 1.656 183 HA TRP 30 HA TRP 30 16.216 0.095 2.111 184 HB3 TRP 30 1HB TRP 30 16.896 -1.965 2.973 185 HD1 TRP 30 HD TRP 30 15.581 -4.133 3.322 186 HE1 TRP 30 HE1 TRP 30 15.106 -6.240 1.951 187 HE3 TRP 30 HE3 TRP 30 17.315 -2.528 -1.216 188 HZ2 TRP 30 HZ2 TRP 30 15.375 -7.095 -0.788 189 HZ3 TRP 30 HZ3 TRP 30 17.197 -4.010 -3.183 190 HH2 TRP 30 HH TRP 30 16.217 -6.291 -3.006 191 H CYS 31 H CYS 31 14.121 -1.098 -0.462 192 HA CYS 31 HA CYS 31 15.936 -0.486 -2.623 193 HB2 CYS 31 1HB CYS 31 13.976 -1.926 -2.904 194 HB3 CYS 31 2HB CYS 31 12.904 -0.561 -2.558 195 H GLY 32 H GLY 32 16.081 1.341 -3.933 196 HA2 GLY 32 1HA GLY 32 15.866 3.953 -2.728 197 HA3 GLY 32 2HA GLY 32 16.258 3.593 -4.418 198 H HIS 33 H HIS 33 13.633 2.117 -4.830 199 HA HIS 33 HA HIS 33 11.814 4.281 -5.426 200 HB2 HIS 33 1HB HIS 33 11.256 1.326 -4.838 201 HB3 HIS 33 2HB HIS 33 10.147 2.477 -5.562 202 HD1 HIS 33 HD1 HIS 33 12.539 -0.109 -6.535 203 HD2 HIS 33 HD2 HIS 33 10.983 3.460 -8.087 204 HE1 HIS 33 HE1 HIS 33 12.622 -0.341 -9.091 205 H CYS 34 H CYS 34 12.007 1.949 -2.740 206 HA CYS 34 HA CYS 34 9.779 2.983 -1.260 207 HB3 CYS 34 1HB CYS 34 11.121 1.661 0.604 208 HG CYS 34 HG CYS 34 9.884 -0.412 0.116 209 H GLN 35 H GLN 35 13.230 3.883 -1.206 210 HA GLN 35 HA GLN 35 12.980 5.292 1.304 211 HB3 GLN 35 1HB GLN 35 15.078 6.418 0.722 212 HG3 GLN 35 1HG GLN 35 16.548 4.626 0.433 213 HE21 GLN 35 2HE2 GLN 35 14.389 2.045 0.448 214 HE22 GLN 35 1HE2 GLN 35 14.371 1.838 2.214 215 H ALA 36 H ALA 36 12.024 6.088 -1.886 216 HA ALA 36 HA ALA 36 11.492 8.935 -1.311 217 HB1 ALA 36 3HB ALA 36 11.076 7.251 -3.817 218 HB2 ALA 36 1HB ALA 36 10.894 9.001 -3.699 219 HB3 ALA 36 2HB ALA 36 12.493 8.262 -3.466 220 H ALA 37 H ALA 37 9.659 5.885 -1.873 221 HA ALA 37 HA ALA 37 7.089 7.298 -1.816 222 HB1 ALA 37 3HB ALA 37 6.115 5.111 -2.166 223 HB2 ALA 37 1HB ALA 37 7.475 5.370 -3.287 224 HB3 ALA 37 2HB ALA 37 7.699 4.320 -1.869 225 H GLN 38 H GLN 38 9.031 5.508 0.552 226 HA GLN 38 HA GLN 38 6.955 5.054 2.473 227 HB3 GLN 38 1HB GLN 38 8.949 5.106 4.106 228 HG3 GLN 38 1HG GLN 38 8.975 3.207 1.722 229 HE21 GLN 38 2HE2 GLN 38 11.492 3.737 2.283 230 HE22 GLN 38 1HE2 GLN 38 12.191 2.565 3.405 231 HA PRO 39 HA PRO 39 7.865 9.236 4.572 232 HB3 PRO 39 1HB PRO 39 10.030 9.998 4.254 233 HG3 PRO 39 1HG PRO 39 11.117 9.762 2.136 234 HD3 PRO 39 1HD PRO 39 10.441 7.601 2.777 235 H LEU 40 H LEU 40 7.091 8.808 1.202 236 HA LEU 40 HA LEU 40 5.359 11.131 0.860 237 HB3 LEU 40 1HB LEU 40 4.681 8.646 -0.641 238 HG LEU 40 HG LEU 40 4.807 9.831 -2.565 239 HD11 LEU 40 1HD1 LEU 40 3.041 10.707 -0.855 240 HD12 LEU 40 2HD1 LEU 40 3.367 11.629 -2.326 241 HD13 LEU 40 3HD1 LEU 40 4.056 12.156 -0.768 242 HD21 LEU 40 3HD2 LEU 40 5.943 12.005 -2.888 243 HD22 LEU 40 1HD2 LEU 40 7.072 10.749 -2.359 244 HD23 LEU 40 2HD2 LEU 40 6.505 11.976 -1.205 245 H LEU 41 H LEU 41 4.782 7.661 1.493 246 HA LEU 41 HA LEU 41 2.001 7.833 2.105 247 HB3 LEU 41 1HB LEU 41 2.631 5.747 3.598 248 HG LEU 41 HG LEU 41 2.400 4.217 1.859 249 HD11 LEU 41 1HD1 LEU 41 0.421 5.626 2.242 250 HD12 LEU 41 2HD1 LEU 41 0.487 4.918 0.617 251 HD13 LEU 41 3HD1 LEU 41 0.867 6.624 0.841 252 HD21 LEU 41 3HD2 LEU 41 4.169 4.806 0.405 253 HD22 LEU 41 1HD2 LEU 41 3.433 6.350 -0.025 254 HD23 LEU 41 2HD2 LEU 41 2.688 4.822 -0.558 255 H ALA 42 H ALA 42 4.874 7.976 4.247 256 HA ALA 42 HA ALA 42 3.550 8.374 6.685 257 HB1 ALA 42 3HB ALA 42 5.640 9.303 7.468 258 HB2 ALA 42 1HB ALA 42 6.004 7.989 6.327 259 HB3 ALA 42 2HB ALA 42 6.147 9.690 5.817 260 H GLU 43 H GLU 43 4.222 10.886 4.215 261 HA GLU 43 HA GLU 43 3.217 13.083 5.838 262 HB3 GLU 43 1HB GLU 43 3.084 14.238 3.526 263 HG3 GLU 43 1HG GLU 43 5.654 14.131 3.264 264 H VAL 44 H VAL 44 1.709 11.123 3.184 265 HA VAL 44 HA VAL 44 -0.815 12.529 3.393 266 HB VAL 44 HB VAL 44 -0.433 11.490 1.362 267 HG11 VAL 44 1HG1 VAL 44 -0.246 9.175 0.916 268 HG12 VAL 44 2HG1 VAL 44 1.065 9.709 1.913 269 HG13 VAL 44 3HG1 VAL 44 -0.255 8.751 2.641 270 HG21 VAL 44 3HG2 VAL 44 -2.511 9.737 2.723 271 HG22 VAL 44 1HG2 VAL 44 -2.794 11.400 2.197 272 HG23 VAL 44 2HG2 VAL 44 -2.406 10.149 0.999 273 H PHE 45 H PHE 45 0.232 9.404 4.766 274 HA PHE 45 HA PHE 45 -2.207 8.620 5.919 275 HB3 PHE 45 1HB PHE 45 0.093 7.674 7.467 276 HD1 PHE 45 HD2 PHE 45 -2.452 6.798 8.008 277 HD2 PHE 45 HD1 PHE 45 0.001 5.581 4.673 278 HE1 PHE 45 HE2 PHE 45 -3.778 4.752 7.792 279 HE2 PHE 45 HE1 PHE 45 -1.314 3.493 4.476 280 HZ PHE 45 HZ PHE 45 -3.224 3.067 6.019 281 H SER 46 H SER 46 0.034 11.016 7.142 282 HA SER 46 HA SER 46 -0.662 10.922 9.927 283 HB3 SER 46 1HB SER 46 0.076 13.318 9.910 284 HG SER 46 HG SER 46 1.902 11.677 8.461 285 H ASP 47 H ASP 47 -2.570 11.976 7.203 286 HA ASP 47 HA ASP 47 -4.540 13.335 8.992 287 HB3 ASP 47 1HB ASP 47 -4.581 13.180 5.967 288 H TYR 48 H TYR 48 -3.985 10.255 7.716 289 HA TYR 48 HA TYR 48 -6.855 9.452 7.982 290 HB3 TYR 48 1HB TYR 48 -6.722 8.067 6.034 291 HD1 TYR 48 HD2 TYR 48 -8.337 10.044 5.663 292 HD2 TYR 48 HD1 TYR 48 -4.177 10.121 4.566 293 HE1 TYR 48 HE2 TYR 48 -8.771 11.982 4.171 294 HE2 TYR 48 HE1 TYR 48 -4.574 12.147 3.185 295 HH TYR 48 HH TYR 48 -6.097 13.685 2.447 296 HA PRO 49 HA PRO 49 -3.619 6.634 10.144 297 HB3 PRO 49 1HB PRO 49 -3.023 8.042 11.860 298 HG3 PRO 49 1HG PRO 49 -4.535 9.719 12.676 299 HD3 PRO 49 1HD PRO 49 -4.213 9.994 10.331 300 H GLU 50 H GLU 50 -7.105 7.065 10.439 301 HA GLU 50 HA GLU 50 -7.675 4.536 11.641 302 HB3 GLU 50 1HB GLU 50 -9.247 6.384 11.640 303 HG3 GLU 50 1HG GLU 50 -9.671 5.841 8.654 304 H VAL 51 H VAL 51 -6.532 5.208 8.425 305 HA VAL 51 HA VAL 51 -7.706 2.786 7.212 306 HB VAL 51 HB VAL 51 -5.514 4.644 6.190 307 HG11 VAL 51 1HG1 VAL 51 -7.076 2.468 4.718 308 HG12 VAL 51 2HG1 VAL 51 -5.977 3.642 3.954 309 HG13 VAL 51 3HG1 VAL 51 -5.326 2.459 5.064 310 HG21 VAL 51 3HG2 VAL 51 -7.696 5.785 6.392 311 HG22 VAL 51 1HG2 VAL 51 -7.281 5.534 4.693 312 HG23 VAL 51 2HG2 VAL 51 -8.469 4.472 5.472 313 H GLY 52 H GLY 52 -6.607 0.807 6.878 314 HA2 GLY 52 1HA GLY 52 -4.342 0.181 8.677 315 HA3 GLY 52 2HA GLY 52 -5.262 -0.948 7.664 316 H HIS 53 H HIS 53 -2.288 -0.629 7.936 317 HA HIS 53 HA HIS 53 -1.740 -0.342 5.018 318 HB2 HIS 53 1HB HIS 53 -1.112 1.749 6.402 319 HB3 HIS 53 2HB HIS 53 0.149 0.746 7.116 320 HD1 HIS 53 HD1 HIS 53 1.986 2.407 5.960 321 HD2 HIS 53 HD2 HIS 53 -0.569 0.359 3.324 322 HE1 HIS 53 HE1 HIS 53 3.013 2.600 3.609 323 H LEU 54 H LEU 54 -1.069 -2.271 4.341 324 HA LEU 54 HA LEU 54 0.528 -3.973 6.175 325 HB3 LEU 54 1HB LEU 54 -1.183 -4.826 3.801 326 HG LEU 54 HG LEU 54 -1.488 -6.932 5.065 327 HD11 LEU 54 1HD1 LEU 54 0.594 -8.005 4.499 328 HD12 LEU 54 2HD1 LEU 54 1.461 -6.463 4.425 329 HD13 LEU 54 3HD1 LEU 54 0.164 -6.823 3.254 330 HD21 LEU 54 3HD2 LEU 54 0.839 -6.075 6.860 331 HD22 LEU 54 1HD2 LEU 54 -0.084 -7.589 6.916 332 HD23 LEU 54 2HD2 LEU 54 -0.873 -6.061 7.344 333 H LYS 55 H LYS 55 2.613 -3.711 5.791 334 HA LYS 55 HA LYS 55 3.618 -3.011 3.093 335 HB3 LYS 55 1HB LYS 55 5.774 -2.843 4.293 336 HG3 LYS 55 1HG LYS 55 4.325 -0.827 4.046 337 HD3 LYS 55 1HD LYS 55 2.561 -1.176 5.682 338 HE3 LYS 55 1HE LYS 55 4.758 -1.138 7.813 339 HZ1 LYS 55 3HZ LYS 55 2.673 -0.115 8.548 340 HZ2 LYS 55 1HZ LYS 55 2.862 -1.557 9.304 341 HZ3 LYS 55 2HZ LYS 55 1.804 -1.424 8.068 342 H VAL 56 H VAL 56 3.679 -4.739 1.811 343 HA VAL 56 HA VAL 56 4.551 -7.412 2.764 344 HB VAL 56 HB VAL 56 3.672 -6.502 -0.022 345 HG11 VAL 56 1HG1 VAL 56 3.852 -9.291 1.217 346 HG12 VAL 56 2HG1 VAL 56 3.250 -8.905 -0.418 347 HG13 VAL 56 3HG1 VAL 56 4.948 -8.631 -0.013 348 HG21 VAL 56 3HG2 VAL 56 1.464 -7.347 0.405 349 HG22 VAL 56 1HG2 VAL 56 1.915 -7.853 2.050 350 HG23 VAL 56 2HG2 VAL 56 1.834 -6.125 1.609 351 H GLU 57 H GLU 57 6.537 -7.850 2.901 352 HA GLU 57 HA GLU 57 8.581 -6.457 1.422 353 HB3 GLU 57 1HB GLU 57 9.040 -9.032 2.951 354 HG3 GLU 57 1HG GLU 57 10.477 -6.369 2.711 355 H ASP 58 H ASP 58 8.877 -6.762 -0.685 356 HA ASP 58 HA ASP 58 8.103 -9.235 -2.039 357 HB3 ASP 58 1HB ASP 58 9.259 -6.641 -3.136 358 H GLY 59 H GLY 59 11.013 -8.034 -0.794 359 HA2 GLY 59 1HA GLY 59 12.986 -8.838 -2.695 360 HA3 GLY 59 2HA GLY 59 13.251 -8.563 -0.959 361 HA PRO 60 HA PRO 60 13.163 -13.004 -0.203 362 HB3 PRO 60 1HB PRO 60 11.670 -13.843 1.434 363 HG3 PRO 60 1HG PRO 60 12.484 -11.723 2.231 364 HD3 PRO 60 1HD PRO 60 12.137 -9.751 0.980 365 H GLY 61 H GLY 61 10.912 -11.816 -2.521 366 HA2 GLY 61 1HA GLY 61 10.466 -12.796 -4.589 367 HA3 GLY 61 2HA GLY 61 10.881 -14.405 -3.960 368 H ARG 62 H ARG 62 8.638 -12.429 -2.147 369 HA ARG 62 HA ARG 62 6.592 -14.363 -2.108 370 HB3 ARG 62 1HB ARG 62 5.138 -12.407 -1.353 371 HG3 ARG 62 1HG ARG 62 7.754 -12.688 0.168 372 HD3 ARG 62 1HD ARG 62 6.165 -10.993 1.066 373 HE ARG 62 HE ARG 62 4.001 -11.820 0.416 374 HH11 ARG 62 1HH1 ARG 62 5.218 -13.460 3.325 375 HH12 ARG 62 2HH1 ARG 62 3.614 -14.052 3.698 376 HH21 ARG 62 1HH2 ARG 62 2.040 -12.741 0.954 377 HH22 ARG 62 2HH2 ARG 62 1.909 -13.651 2.423 378 H ARG 63 H ARG 63 4.756 -14.746 -3.157 379 HA ARG 63 HA ARG 63 4.392 -13.569 -5.836 380 HB3 ARG 63 1HB ARG 63 2.839 -15.490 -6.170 381 HG3 ARG 63 1HG ARG 63 5.583 -16.275 -5.108 382 HD3 ARG 63 1HD ARG 63 3.737 -17.580 -7.152 383 HE ARG 63 HE ARG 63 6.554 -17.821 -6.867 384 HH11 ARG 63 1HH1 ARG 63 3.772 -19.982 -7.177 385 HH12 ARG 63 2HH1 ARG 63 4.720 -21.238 -7.908 386 HH21 ARG 63 1HH2 ARG 63 7.712 -19.467 -7.846 387 HH22 ARG 63 2HH2 ARG 63 6.917 -20.940 -8.307 388 H LEU 64 H LEU 64 3.140 -12.599 -2.904 389 HA LEU 64 HA LEU 64 0.375 -12.287 -3.507 390 HB3 LEU 64 1HB LEU 64 2.081 -10.467 -1.768 391 HG LEU 64 HG LEU 64 -0.273 -9.651 -2.030 392 HD11 LEU 64 1HD1 LEU 64 -1.453 -11.737 -2.504 393 HD12 LEU 64 2HD1 LEU 64 -2.117 -11.072 -1.005 394 HD13 LEU 64 3HD1 LEU 64 -0.975 -12.428 -0.940 395 HD21 LEU 64 3HD2 LEU 64 1.015 -9.439 0.113 396 HD22 LEU 64 1HD2 LEU 64 0.258 -10.920 0.690 397 HD23 LEU 64 2HD2 LEU 64 -0.737 -9.488 0.358 398 H GLY 65 H GLY 65 3.096 -9.945 -4.088 399 HA2 GLY 65 1HA GLY 65 1.489 -8.001 -5.424 400 HA3 GLY 65 2HA GLY 65 3.245 -8.193 -5.610 401 H ARG 66 H ARG 66 3.056 -10.919 -6.699 402 HA ARG 66 HA ARG 66 2.443 -10.467 -9.479 403 HB3 ARG 66 1HB ARG 66 2.839 -13.073 -7.952 404 HG3 ARG 66 1HG ARG 66 3.168 -12.441 -10.921 405 HD3 ARG 66 1HD ARG 66 3.552 -15.016 -9.316 406 HE ARG 66 HE ARG 66 2.952 -15.847 -11.393 407 HH11 ARG 66 1HH1 ARG 66 5.442 -13.390 -11.923 408 HH12 ARG 66 2HH1 ARG 66 5.698 -13.875 -13.569 409 HH21 ARG 66 1HH2 ARG 66 3.363 -16.452 -13.500 410 HH22 ARG 66 2HH2 ARG 66 4.541 -15.602 -14.448 411 H SER 67 H SER 67 0.620 -12.035 -6.807 412 HA SER 67 HA SER 67 -1.647 -12.856 -8.432 413 HB3 SER 67 1HB SER 67 -2.734 -13.259 -6.280 414 HG SER 67 HG SER 67 0.028 -13.998 -6.089 415 H PHE 68 H PHE 68 -0.849 -9.892 -6.638 416 HA PHE 68 HA PHE 68 -3.383 -8.573 -7.094 417 HB3 PHE 68 1HB PHE 68 -1.645 -6.567 -6.499 418 HD1 PHE 68 HD1 PHE 68 -1.598 -9.257 -3.976 419 HD2 PHE 68 HD2 PHE 68 -3.708 -5.876 -5.535 420 HE1 PHE 68 HE1 PHE 68 -2.862 -9.095 -1.852 421 HE2 PHE 68 HE2 PHE 68 -4.996 -5.685 -3.413 422 HZ PHE 68 HZ PHE 68 -4.567 -7.291 -1.556 423 H GLN 69 H GLN 69 -0.796 -9.263 -9.172 424 HA GLN 69 HA GLN 69 -0.059 -8.553 -11.179 425 HB3 GLN 69 1HB GLN 69 -1.577 -7.597 -12.777 426 HG3 GLN 69 1HG GLN 69 -2.267 -9.982 -11.444 427 HE21 GLN 69 2HE2 GLN 69 -3.736 -9.751 -9.590 428 HE22 GLN 69 1HE2 GLN 69 -5.387 -9.245 -9.820 429 H VAL 70 H VAL 70 0.946 -7.159 -9.085 430 HA VAL 70 HA VAL 70 0.752 -4.348 -9.028 431 HB VAL 70 HB VAL 70 2.902 -6.336 -8.311 432 HG11 VAL 70 1HG1 VAL 70 4.302 -4.497 -8.927 433 HG12 VAL 70 2HG1 VAL 70 3.226 -3.333 -8.139 434 HG13 VAL 70 3HG1 VAL 70 4.170 -4.480 -7.161 435 HG21 VAL 70 3HG2 VAL 70 0.850 -6.038 -6.904 436 HG22 VAL 70 1HG2 VAL 70 2.345 -5.638 -6.055 437 HG23 VAL 70 2HG2 VAL 70 1.300 -4.333 -6.658 438 H LYS 71 H LYS 71 1.333 -2.740 -10.277 439 HA LYS 71 HA LYS 71 2.016 -3.497 -12.994 440 HB3 LYS 71 1HB LYS 71 1.374 -0.676 -12.114 441 HG3 LYS 71 1HG LYS 71 1.610 -1.654 -14.623 442 HD3 LYS 71 1HD LYS 71 -0.594 -2.103 -15.566 443 HE3 LYS 71 1HE LYS 71 -0.162 -3.976 -13.187 444 HZ1 LYS 71 3HZ LYS 71 -1.618 -4.420 -15.727 445 HZ2 LYS 71 1HZ LYS 71 -2.311 -4.275 -14.257 446 HZ3 LYS 71 2HZ LYS 71 -1.346 -5.549 -14.573 447 H LEU 72 H LEU 72 3.297 -0.915 -10.903 448 HA LEU 72 HA LEU 72 6.014 -1.465 -11.991 449 HB3 LEU 72 1HB LEU 72 5.256 1.104 -10.550 450 HG LEU 72 HG LEU 72 7.743 0.416 -10.852 451 HD11 LEU 72 1HD1 LEU 72 7.599 -0.497 -13.140 452 HD12 LEU 72 2HD1 LEU 72 8.726 0.859 -13.068 453 HD13 LEU 72 3HD1 LEU 72 7.104 1.098 -13.755 454 HD21 LEU 72 3HD2 LEU 72 8.404 2.713 -11.522 455 HD22 LEU 72 1HD2 LEU 72 7.097 2.704 -10.328 456 HD23 LEU 72 2HD2 LEU 72 6.727 3.013 -12.041 457 H TRP 73 H TRP 73 7.638 -1.626 -10.282 458 HA TRP 73 HA TRP 73 6.792 -3.362 -8.281 459 HB3 TRP 73 1HB TRP 73 9.260 -1.666 -8.215 460 HD1 TRP 73 HD TRP 73 8.858 -5.478 -8.053 461 HE1 TRP 73 HE1 TRP 73 9.841 -6.331 -5.847 462 HE3 TRP 73 HE3 TRP 73 9.886 -0.974 -5.881 463 HZ2 TRP 73 HZ2 TRP 73 11.231 -5.187 -3.570 464 HZ3 TRP 73 HZ3 TRP 73 11.016 -0.874 -3.675 465 HH2 TRP 73 HH TRP 73 11.750 -2.966 -2.542 466 HA PRO 74 HA PRO 74 6.485 -0.034 -4.976 467 HB3 PRO 74 1HB PRO 74 8.106 1.600 -5.146 468 HG3 PRO 74 1HG PRO 74 8.617 2.622 -7.294 469 HD3 PRO 74 1HD PRO 74 8.945 0.333 -7.563 470 H THR 75 H THR 75 4.400 -0.915 -5.370 471 HA THR 75 HA THR 75 2.328 1.088 -6.168 472 HB THR 75 HB THR 75 2.369 -1.884 -6.865 473 HG1 THR 75 HG1 THR 75 3.364 -0.737 -8.410 474 HG21 THR 75 3HG2 THR 75 0.073 -1.406 -6.242 475 HG22 THR 75 1HG2 THR 75 0.176 -1.476 -8.002 476 HG23 THR 75 2HG2 THR 75 0.079 0.098 -7.189 477 H PHE 76 H PHE 76 0.603 1.158 -4.923 478 HA PHE 76 HA PHE 76 0.278 -0.867 -2.823 479 HB3 PHE 76 1HB PHE 76 1.124 0.691 -1.351 480 HD1 PHE 76 HD2 PHE 76 2.894 1.811 -2.761 481 HD2 PHE 76 HD1 PHE 76 -1.079 3.384 -2.213 482 HE1 PHE 76 HE2 PHE 76 3.677 4.048 -3.548 483 HE2 PHE 76 HE1 PHE 76 -0.286 5.588 -2.902 484 HZ PHE 76 HZ PHE 76 2.063 5.904 -3.690 485 H VAL 77 H VAL 77 -1.630 -1.638 -2.692 486 HA VAL 77 HA VAL 77 -3.767 -0.572 -4.481 487 HB VAL 77 HB VAL 77 -3.392 -3.397 -3.389 488 HG11 VAL 77 1HG1 VAL 77 -5.167 -2.394 -5.661 489 HG12 VAL 77 2HG1 VAL 77 -5.061 -4.050 -5.076 490 HG13 VAL 77 3HG1 VAL 77 -5.743 -2.790 -4.039 491 HG21 VAL 77 3HG2 VAL 77 -2.618 -2.229 -6.104 492 HG22 VAL 77 1HG2 VAL 77 -1.525 -2.917 -4.887 493 HG23 VAL 77 2HG2 VAL 77 -2.661 -3.954 -5.743 494 H PHE 78 H PHE 78 -5.555 0.211 -3.652 495 HA PHE 78 HA PHE 78 -5.945 0.183 -0.705 496 HB3 PHE 78 1HB PHE 78 -7.732 1.855 -1.199 497 HD1 PHE 78 HD2 PHE 78 -4.957 2.406 -3.647 498 HD2 PHE 78 HD1 PHE 78 -6.520 3.421 0.251 499 HE1 PHE 78 HE2 PHE 78 -3.161 4.064 -3.355 500 HE2 PHE 78 HE1 PHE 78 -4.756 5.181 0.456 501 HZ PHE 78 HZ PHE 78 -3.092 5.492 -1.383 502 H LEU 79 H LEU 79 -7.110 -1.364 0.146 503 HA LEU 79 HA LEU 79 -9.313 -2.648 -1.380 504 HB3 LEU 79 1HB LEU 79 -8.980 -4.280 0.696 505 HG LEU 79 HG LEU 79 -8.935 -5.000 -1.598 506 HD11 LEU 79 1HD1 LEU 79 -5.987 -4.251 -1.680 507 HD12 LEU 79 2HD1 LEU 79 -7.291 -3.383 -2.531 508 HD13 LEU 79 3HD1 LEU 79 -6.953 -5.055 -2.950 509 HD21 LEU 79 3HD2 LEU 79 -6.620 -5.992 0.084 510 HD22 LEU 79 1HD2 LEU 79 -7.363 -6.874 -1.280 511 HD23 LEU 79 2HD2 LEU 79 -8.310 -6.527 0.183 512 H ARG 80 H ARG 80 -11.260 -3.010 -0.270 513 HA ARG 80 HA ARG 80 -11.833 -2.176 2.429 514 HB3 ARG 80 1HB ARG 80 -13.103 -0.523 0.212 515 HG3 ARG 80 1HG ARG 80 -13.109 -0.206 3.235 516 HD3 ARG 80 1HD ARG 80 -14.227 1.608 1.036 517 HE ARG 80 HE ARG 80 -15.421 1.336 3.402 518 HH11 ARG 80 1HH1 ARG 80 -13.262 4.010 2.391 519 HH12 ARG 80 2HH1 ARG 80 -13.990 5.091 3.543 520 HH21 ARG 80 1HH2 ARG 80 -16.283 2.846 4.816 521 HH22 ARG 80 2HH2 ARG 80 -15.661 4.466 4.844 522 H ASP 81 H ASP 81 -13.620 -3.281 3.103 523 HA ASP 81 HA ASP 81 -15.164 -4.921 3.170 524 HB3 ASP 81 1HB ASP 81 -16.008 -4.229 0.338 525 H GLY 82 H GLY 82 -12.457 -5.401 1.968 526 HA2 GLY 82 1HA GLY 82 -11.290 -7.379 1.571 527 HA3 GLY 82 2HA GLY 82 -12.804 -8.211 1.166 528 H ARG 83 H ARG 83 -13.071 -5.609 -0.740 529 HA ARG 83 HA ARG 83 -11.690 -6.875 -3.063 530 HB3 ARG 83 1HB ARG 83 -13.332 -5.456 -4.397 531 HG3 ARG 83 1HG ARG 83 -14.423 -7.563 -2.501 532 HD3 ARG 83 1HD ARG 83 -16.189 -7.979 -4.098 533 HE ARG 83 HE ARG 83 -16.727 -5.179 -4.216 534 HH11 ARG 83 1HH2 ARG 83 -16.322 -7.686 -1.714 535 HH12 ARG 83 2HH2 ARG 83 -17.237 -6.737 -0.559 536 HH21 ARG 83 1HH1 ARG 83 -17.959 -4.115 -2.614 537 HH22 ARG 83 2HH1 ARG 83 -18.128 -4.877 -1.046 538 H GLU 84 H GLU 84 -10.797 -5.544 -4.569 539 HA GLU 84 HA GLU 84 -9.257 -3.238 -3.605 540 HB3 GLU 84 1HB GLU 84 -9.463 -4.555 -6.309 541 HG3 GLU 84 1HG GLU 84 -7.811 -2.126 -5.520 542 H VAL 85 H VAL 85 -9.895 -1.234 -3.542 543 HA VAL 85 HA VAL 85 -12.287 -0.322 -5.123 544 HB VAL 85 HB VAL 85 -12.248 1.656 -3.589 545 HG11 VAL 85 1HG1 VAL 85 -13.788 -0.261 -3.341 546 HG12 VAL 85 2HG1 VAL 85 -12.637 -1.022 -2.227 547 HG13 VAL 85 3HG1 VAL 85 -13.408 0.529 -1.804 548 HG21 VAL 85 3HG2 VAL 85 -11.088 1.606 -1.472 549 HG22 VAL 85 1HG2 VAL 85 -10.470 -0.014 -1.757 550 HG23 VAL 85 2HG2 VAL 85 -9.849 1.344 -2.721 551 H ALA 86 H ALA 86 -8.832 0.071 -4.795 552 HA ALA 86 HA ALA 86 -8.540 1.496 -7.271 553 HB1 ALA 86 3HB ALA 86 -8.080 3.003 -4.653 554 HB2 ALA 86 1HB ALA 86 -7.583 3.602 -6.238 555 HB3 ALA 86 2HB ALA 86 -9.294 3.430 -5.890 556 H ARG 87 H ARG 87 -6.181 2.288 -7.417 557 HA ARG 87 HA ARG 87 -4.372 1.441 -5.339 558 HB3 ARG 87 1HB ARG 87 -4.455 -0.630 -6.587 559 HG3 ARG 87 1HG ARG 87 -3.368 0.995 -8.944 560 HD3 ARG 87 1HD ARG 87 -2.269 -1.184 -8.334 561 HE ARG 87 HE ARG 87 -4.971 -2.178 -8.424 562 HH11 ARG 87 1HH1 ARG 87 -1.725 -3.199 -9.492 563 HH12 ARG 87 2HH1 ARG 87 -2.164 -4.887 -9.359 564 HH21 ARG 87 1HH2 ARG 87 -5.388 -4.370 -8.278 565 HH22 ARG 87 2HH2 ARG 87 -4.118 -5.518 -8.661 566 H VAL 88 H VAL 88 -2.279 2.361 -5.547 567 HA VAL 88 HA VAL 88 -2.035 4.568 -7.602 568 HB VAL 88 HB VAL 88 -1.244 4.550 -4.700 569 HG11 VAL 88 1HG1 VAL 88 -0.540 6.628 -6.840 570 HG12 VAL 88 2HG1 VAL 88 -0.288 6.852 -5.101 571 HG13 VAL 88 3HG1 VAL 88 0.629 5.605 -5.962 572 HG21 VAL 88 3HG2 VAL 88 -3.593 5.243 -5.189 573 HG22 VAL 88 1HG2 VAL 88 -2.611 6.456 -4.366 574 HG23 VAL 88 2HG2 VAL 88 -2.954 6.614 -6.109 575 H VAL 89 H VAL 89 -0.445 4.235 -8.922 576 HA VAL 89 HA VAL 89 1.827 2.374 -8.264 577 HB VAL 89 HB VAL 89 0.712 3.255 -10.963 578 HG11 VAL 89 1HG1 VAL 89 2.189 1.556 -11.972 579 HG12 VAL 89 2HG1 VAL 89 3.135 2.760 -11.104 580 HG13 VAL 89 3HG1 VAL 89 2.846 1.169 -10.360 581 HG21 VAL 89 3HG2 VAL 89 -0.865 1.715 -9.835 582 HG22 VAL 89 1HG2 VAL 89 -0.144 1.014 -11.277 583 HG23 VAL 89 2HG2 VAL 89 0.445 0.517 -9.682 584 H ARG 90 H ARG 90 3.747 3.371 -7.987 585 HA ARG 90 HA ARG 90 5.379 4.908 -7.857 586 HB3 ARG 90 1HB ARG 90 4.609 5.746 -10.663 587 HG3 ARG 90 1HG ARG 90 7.299 5.403 -9.250 588 HD3 ARG 90 1HD ARG 90 6.604 6.757 -11.898 589 HE ARG 90 HE ARG 90 8.835 7.152 -10.315 590 HH11 ARG 90 1HH1 ARG 90 8.402 5.755 -13.545 591 HH12 ARG 90 2HH1 ARG 90 10.011 6.175 -14.047 592 HH21 ARG 90 1HH2 ARG 90 10.893 7.676 -11.035 593 HH22 ARG 90 2HH2 ARG 90 11.390 7.287 -12.653 594 HA PRO 91 HA PRO 91 2.564 8.457 -6.635 595 HB3 PRO 91 1HB PRO 91 2.620 7.870 -4.480 596 HG3 PRO 91 1HG PRO 91 4.415 6.613 -3.548 597 HD3 PRO 91 1HD PRO 91 3.800 5.402 -5.481 598 H GLY 92 H GLY 92 2.924 10.285 -7.806 599 HA2 GLY 92 1HA GLY 92 5.612 11.170 -8.512 600 HA3 GLY 92 2HA GLY 92 4.072 11.915 -9.006 601 H SER 93 H SER 93 3.197 12.203 -6.210 602 HA SER 93 HA SER 93 4.948 13.696 -4.558 603 HB3 SER 93 1HB SER 93 2.991 15.442 -6.078 604 HG SER 93 HG SER 93 4.223 17.092 -4.982 605 H ALA 94 H ALA 94 3.669 14.753 -2.738 606 HA ALA 94 HA ALA 94 1.689 13.005 -1.676 607 HB1 ALA 94 3HB ALA 94 1.472 14.780 0.039 608 HB2 ALA 94 1HB ALA 94 3.171 14.480 -0.342 609 HB3 ALA 94 2HB ALA 94 2.362 15.911 -1.013 610 H SER 95 H SER 95 1.298 15.901 -3.727 611 HA SER 95 HA SER 95 -1.526 16.231 -3.405 612 HB3 SER 95 1HB SER 95 -0.164 17.902 -4.501 613 HG SER 95 HG SER 95 0.746 17.445 -6.599 614 H VAL 96 H VAL 96 0.254 13.772 -5.222 615 HA VAL 96 HA VAL 96 -2.177 12.815 -6.627 616 HB VAL 96 HB VAL 96 0.640 11.625 -6.511 617 HG11 VAL 96 1HG1 VAL 96 -0.048 10.404 -8.559 618 HG12 VAL 96 2HG1 VAL 96 -1.017 9.938 -7.155 619 HG13 VAL 96 3HG1 VAL 96 -1.702 11.038 -8.369 620 HG21 VAL 96 3HG2 VAL 96 0.762 13.826 -7.571 621 HG22 VAL 96 1HG2 VAL 96 0.949 12.564 -8.786 622 HG23 VAL 96 2HG2 VAL 96 -0.607 13.413 -8.630 623 H LEU 97 H LEU 97 0.011 11.795 -3.965 624 HA LEU 97 HA LEU 97 -1.387 9.317 -3.507 625 HB3 LEU 97 1HB LEU 97 0.057 10.351 -1.180 626 HG LEU 97 HG LEU 97 0.703 8.157 -3.235 627 HD11 LEU 97 1HD1 LEU 97 1.848 8.566 -0.444 628 HD12 LEU 97 2HD1 LEU 97 2.692 8.746 -2.012 629 HD13 LEU 97 3HD1 LEU 97 2.103 7.165 -1.526 630 HD21 LEU 97 3HD2 LEU 97 -1.332 7.463 -2.286 631 HD22 LEU 97 1HD2 LEU 97 -1.010 8.265 -0.754 632 HD23 LEU 97 2HD2 LEU 97 -0.175 6.763 -1.137 633 H GLU 98 H GLU 98 -1.527 12.437 -1.729 634 HA GLU 98 HA GLU 98 -3.583 11.765 0.084 635 HB3 GLU 98 1HB GLU 98 -4.056 14.230 0.090 636 HG3 GLU 98 1HG GLU 98 -1.075 13.615 0.239 637 H GLU 99 H GLU 99 -3.883 13.025 -3.286 638 HA GLU 99 HA GLU 99 -6.670 13.413 -3.389 639 HB3 GLU 99 1HB GLU 99 -4.614 12.627 -5.494 640 HG3 GLU 99 1HG GLU 99 -7.559 13.179 -5.866 641 H ALA 100 H ALA 100 -4.786 10.418 -3.750 642 HA ALA 100 HA ALA 100 -7.170 8.814 -4.381 643 HB1 ALA 100 3HB ALA 100 -5.606 6.947 -4.196 644 HB2 ALA 100 1HB ALA 100 -4.948 8.231 -5.230 645 HB3 ALA 100 2HB ALA 100 -4.342 8.036 -3.564 646 H PHE 101 H PHE 101 -5.149 9.401 -1.429 647 HA PHE 101 HA PHE 101 -6.426 7.481 0.223 648 HB3 PHE 101 1HB PHE 101 -5.790 9.408 1.981 649 HD1 PHE 101 HD2 PHE 101 -3.279 7.780 -0.444 650 HD2 PHE 101 HD1 PHE 101 -5.077 7.818 3.499 651 HE1 PHE 101 HE2 PHE 101 -1.681 6.117 0.327 652 HE2 PHE 101 HE1 PHE 101 -3.469 6.104 4.230 653 HZ PHE 101 HZ PHE 101 -1.732 5.265 2.616 654 H GLU 102 H GLU 102 -7.228 10.968 -0.141 655 HA GLU 102 HA GLU 102 -9.495 10.964 1.558 656 HB3 GLU 102 1HB GLU 102 -8.546 13.043 0.924 657 HG3 GLU 102 1HG GLU 102 -8.418 12.145 -1.735 658 H SER 103 H SER 103 -9.211 10.034 -1.846 659 HA SER 103 HA SER 103 -12.055 9.910 -2.310 660 HB3 SER 103 1HB SER 103 -9.807 8.550 -3.849 661 HG SER 103 HG SER 103 -11.322 8.783 -5.582 662 H LEU 104 H LEU 104 -9.696 7.601 -1.032 663 HA LEU 104 HA LEU 104 -11.685 5.371 -1.234 664 HB3 LEU 104 1HB LEU 104 -9.702 3.994 -0.472 665 HG LEU 104 HG LEU 104 -8.821 3.601 -2.520 666 HD11 LEU 104 1HD1 LEU 104 -11.400 3.638 -2.592 667 HD12 LEU 104 2HD1 LEU 104 -10.566 3.668 -4.146 668 HD13 LEU 104 3HD1 LEU 104 -11.237 5.164 -3.494 669 HD21 LEU 104 3HD2 LEU 104 -8.478 5.207 -4.348 670 HD22 LEU 104 1HD2 LEU 104 -7.652 5.709 -2.874 671 HD23 LEU 104 2HD2 LEU 104 -9.197 6.471 -3.383 672 H VAL 105 H VAL 105 -10.151 7.380 1.176 673 HA VAL 105 HA VAL 105 -11.158 5.878 3.427 674 HB VAL 105 HB VAL 105 -9.271 7.719 3.285 675 HG11 VAL 105 1HG1 VAL 105 -9.902 9.929 3.961 676 HG12 VAL 105 2HG1 VAL 105 -10.812 9.530 2.510 677 HG13 VAL 105 3HG1 VAL 105 -11.607 9.486 4.095 678 HG21 VAL 105 3HG2 VAL 105 -11.086 7.680 5.707 679 HG22 VAL 105 1HG2 VAL 105 -9.935 6.397 5.273 680 HG23 VAL 105 2HG2 VAL 105 -9.330 8.021 5.623 681 H GLY 106 H GLY 106 -12.554 8.203 1.204 682 HA2 GLY 106 1HA GLY 106 -14.817 8.554 0.836 683 HA3 GLY 106 2HA GLY 106 -15.221 8.005 2.479 684 H GLU 107 H GLU 107 -12.696 10.411 2.046 685 HA GLU 107 HA GLU 107 -14.352 12.444 3.432 686 HB3 GLU 107 1HB GLU 107 -11.983 13.638 3.304 687 HG3 GLU 107 1HG GLU 107 -11.191 12.296 5.296 688 H GLY 108 H GLY 108 -13.184 11.764 0.210 689 HA2 GLY 108 1HA GLY 108 -13.413 14.493 -0.780 690 HA3 GLY 108 2HA GLY 108 -13.270 13.016 -1.759 Start of MODEL 14 1 H1 MET 1 H MET 1 15.619 7.750 9.121 2 HA MET 1 HA MET 1 13.592 7.226 10.362 3 HB3 MET 1 1HB MET 1 13.859 9.586 9.712 4 HG3 MET 1 1HG MET 1 12.127 8.875 7.307 5 HE1 MET 1 3HE MET 1 10.170 12.074 8.204 6 HE2 MET 1 1HE MET 1 10.111 10.374 7.708 7 HE3 MET 1 2HE MET 1 10.659 10.812 9.345 8 H LYS 2 H LYS 2 13.564 6.147 7.168 9 HA LYS 2 HA LYS 2 10.855 5.717 6.614 10 HB3 LYS 2 1HB LYS 2 12.742 5.604 4.999 11 HG3 LYS 2 1HG LYS 2 13.640 3.357 4.433 12 HD3 LYS 2 1HD LYS 2 14.582 4.258 7.199 13 HE3 LYS 2 1HE LYS 2 15.523 2.080 6.667 14 HZ1 LYS 2 3HZ LYS 2 17.131 2.087 4.726 15 HZ2 LYS 2 1HZ LYS 2 16.327 3.387 4.125 16 HZ3 LYS 2 2HZ LYS 2 15.558 1.960 4.317 17 H THR 3 H THR 3 9.336 4.183 6.984 18 HA THR 3 HA THR 3 9.601 2.522 9.339 19 HB THR 3 HB THR 3 7.254 2.713 7.413 20 HG1 THR 3 HG1 THR 3 7.877 4.269 9.710 21 HG21 THR 3 3HG2 THR 3 7.457 1.997 10.380 22 HG22 THR 3 1HG2 THR 3 7.003 0.906 9.048 23 HG23 THR 3 2HG2 THR 3 5.950 2.261 9.473 24 H ARG 4 H ARG 4 9.655 0.323 9.538 25 HA ARG 4 HA ARG 4 10.776 -1.082 7.251 26 HB3 ARG 4 1HB ARG 4 11.095 -2.929 8.972 27 HG3 ARG 4 1HG ARG 4 12.931 -1.406 8.443 28 HD3 ARG 4 1HD ARG 4 12.105 0.798 9.094 29 HE ARG 4 HE ARG 4 11.606 -0.458 11.684 30 HH11 ARG 4 1HH1 ARG 4 12.268 2.695 10.223 31 HH12 ARG 4 2HH1 ARG 4 11.738 3.546 11.651 32 HH21 ARG 4 1HH2 ARG 4 10.867 0.717 13.436 33 HH22 ARG 4 2HH2 ARG 4 10.926 2.452 13.409 34 H TYR 5 H TYR 5 10.112 -2.839 6.270 35 HA TYR 5 HA TYR 5 7.290 -3.482 6.098 36 HB3 TYR 5 1HB TYR 5 8.385 -5.095 4.301 37 HD1 TYR 5 HD1 TYR 5 9.659 -1.551 4.314 38 HD2 TYR 5 HD2 TYR 5 6.707 -4.339 2.935 39 HE1 TYR 5 HE1 TYR 5 8.869 0.124 2.663 40 HE2 TYR 5 HE2 TYR 5 5.875 -2.645 1.274 41 HH TYR 5 HH TYR 5 7.509 0.535 0.883 42 H SER 6 H SER 6 6.522 -5.762 5.766 43 HA SER 6 HA SER 6 7.844 -7.723 7.588 44 HB3 SER 6 1HB SER 6 5.544 -8.600 8.037 45 HG SER 6 HG SER 6 6.289 -7.075 9.535 46 H ALA 7 H ALA 7 8.180 -9.765 6.841 47 HA ALA 7 HA ALA 7 7.610 -10.296 3.955 48 HB1 ALA 7 3HB ALA 7 9.407 -11.957 4.167 49 HB2 ALA 7 1HB ALA 7 9.972 -10.380 4.733 50 HB3 ALA 7 2HB ALA 7 9.529 -11.644 5.902 51 H GLU 8 H GLU 8 6.751 -11.347 7.141 52 HA GLU 8 HA GLU 8 5.660 -13.930 6.377 53 HB3 GLU 8 1HB GLU 8 6.721 -13.702 8.515 54 HG3 GLU 8 1HG GLU 8 5.223 -12.439 10.319 55 H ALA 9 H ALA 9 4.494 -11.611 5.012 56 HA ALA 9 HA ALA 9 1.971 -10.894 6.036 57 HB1 ALA 9 3HB ALA 9 3.164 -9.609 4.309 58 HB2 ALA 9 1HB ALA 9 2.997 -10.964 3.168 59 HB3 ALA 9 2HB ALA 9 1.560 -10.082 3.699 60 HA PRO 10 HA PRO 10 -0.818 -14.215 4.921 61 HB3 PRO 10 1HB PRO 10 -2.371 -13.004 6.144 62 HG3 PRO 10 1HG PRO 10 -2.587 -10.592 5.831 63 HD3 PRO 10 1HD PRO 10 -0.360 -11.002 6.497 64 H ALA 11 H ALA 11 -2.217 -15.001 3.178 65 HA ALA 11 HA ALA 11 -1.153 -14.316 0.522 66 HB1 ALA 11 3HB ALA 11 -3.127 -16.452 1.448 67 HB2 ALA 11 1HB ALA 11 -2.332 -16.384 -0.144 68 HB3 ALA 11 2HB ALA 11 -1.359 -16.666 1.308 69 H ARG 12 H ARG 12 -2.571 -14.103 -1.380 70 HA ARG 12 HA ARG 12 -4.345 -11.931 -1.154 71 HB3 ARG 12 1HB ARG 12 -4.728 -13.671 -3.539 72 HG3 ARG 12 1HG ARG 12 -4.009 -11.666 -4.753 73 HD3 ARG 12 1HD ARG 12 -5.908 -10.715 -2.574 74 HE ARG 12 HE ARG 12 -5.186 -9.016 -4.229 75 HH11 ARG 12 1HH1 ARG 12 -7.527 -11.398 -5.436 76 HH12 ARG 12 2HH1 ARG 12 -8.090 -10.318 -6.680 77 HH21 ARG 12 1HH2 ARG 12 -6.012 -7.686 -5.801 78 HH22 ARG 12 2HH2 ARG 12 -7.261 -8.242 -6.869 79 H ASP 13 H ASP 13 -5.087 -15.390 -1.128 80 HA ASP 13 HA ASP 13 -7.975 -15.107 -1.199 81 HB3 ASP 13 1HB ASP 13 -7.931 -17.494 -0.509 82 H GLU 14 H GLU 14 -5.633 -14.698 1.367 83 HA GLU 14 HA GLU 14 -7.626 -14.974 3.535 84 HB3 GLU 14 1HB GLU 14 -5.683 -14.424 4.958 85 HG3 GLU 14 1HG GLU 14 -5.098 -16.677 3.004 86 H LEU 15 H LEU 15 -5.878 -12.459 1.683 87 HA LEU 15 HA LEU 15 -6.812 -10.174 3.128 88 HB3 LEU 15 1HB LEU 15 -6.717 -9.180 0.669 89 HG LEU 15 HG LEU 15 -5.013 -8.758 2.487 90 HD11 LEU 15 1HD1 LEU 15 -2.815 -9.864 2.249 91 HD12 LEU 15 2HD1 LEU 15 -3.484 -10.970 1.049 92 HD13 LEU 15 3HD1 LEU 15 -4.056 -11.049 2.734 93 HD21 LEU 15 3HD2 LEU 15 -4.952 -7.669 0.282 94 HD22 LEU 15 1HD2 LEU 15 -4.025 -9.035 -0.380 95 HD23 LEU 15 2HD2 LEU 15 -3.322 -7.975 0.876 96 H ASP 16 H ASP 16 -8.441 -12.220 0.762 97 HA ASP 16 HA ASP 16 -10.705 -10.626 0.192 98 HB3 ASP 16 1HB ASP 16 -10.439 -13.656 0.381 99 H ARG 17 H ARG 17 -9.878 -12.266 3.137 100 HA ARG 17 HA ARG 17 -12.593 -12.372 4.240 101 HB3 ARG 17 1HB ARG 17 -11.500 -13.203 6.237 102 HG3 ARG 17 1HG ARG 17 -10.315 -15.176 5.444 103 HD3 ARG 17 1HD ARG 17 -11.827 -16.089 3.734 104 HE ARG 17 HE ARG 17 -12.640 -15.397 6.235 105 HH11 ARG 17 1HH1 ARG 17 -14.410 -15.388 3.179 106 HH12 ARG 17 2HH1 ARG 17 -15.939 -15.678 3.958 107 HH21 ARG 17 1HH2 ARG 17 -14.638 -15.782 7.174 108 HH22 ARG 17 2HH2 ARG 17 -16.061 -15.913 6.187 109 H LEU 18 H LEU 18 -10.210 -9.880 3.961 110 HA LEU 18 HA LEU 18 -10.785 -8.589 6.498 111 HB3 LEU 18 1HB LEU 18 -8.690 -8.397 5.121 112 HG LEU 18 HG LEU 18 -9.713 -7.322 2.982 113 HD11 LEU 18 1HD1 LEU 18 -9.831 -4.942 4.858 114 HD12 LEU 18 2HD1 LEU 18 -11.103 -5.540 3.772 115 HD13 LEU 18 3HD1 LEU 18 -9.681 -4.768 3.099 116 HD21 LEU 18 3HD2 LEU 18 -7.686 -5.894 2.737 117 HD22 LEU 18 1HD2 LEU 18 -7.304 -7.463 3.458 118 HD23 LEU 18 2HD2 LEU 18 -7.403 -6.016 4.489 119 H ALA 19 H ALA 19 -11.599 -6.260 6.651 120 HA ALA 19 HA ALA 19 -13.988 -5.822 4.895 121 HB1 ALA 19 3HB ALA 19 -14.707 -7.090 6.868 122 HB2 ALA 19 1HB ALA 19 -13.981 -5.870 7.945 123 HB3 ALA 19 2HB ALA 19 -15.357 -5.437 6.899 124 H GLY 20 H GLY 20 -11.899 -4.242 7.388 125 HA2 GLY 20 1HA GLY 20 -13.045 -1.635 6.848 126 HA3 GLY 20 2HA GLY 20 -11.637 -1.985 7.866 127 HA PRO 21 HA PRO 21 -10.435 0.037 3.700 128 HB3 PRO 21 1HB PRO 21 -11.277 2.146 4.093 129 HG3 PRO 21 1HG PRO 21 -11.689 2.916 6.292 130 HD3 PRO 21 1HD PRO 21 -12.776 0.822 6.204 131 H THR 22 H THR 22 -8.679 -1.124 3.363 132 HA THR 22 HA THR 22 -6.269 -0.821 5.150 133 HB THR 22 HB THR 22 -7.244 -3.378 3.825 134 HG1 THR 22 HG1 THR 22 -8.537 -2.817 5.561 135 HG21 THR 22 3HG2 THR 22 -4.803 -3.360 4.095 136 HG22 THR 22 1HG2 THR 22 -5.516 -4.412 5.320 137 HG23 THR 22 2HG2 THR 22 -4.952 -2.784 5.771 138 H LEU 23 H LEU 23 -4.702 0.137 4.026 139 HA LEU 23 HA LEU 23 -4.480 -0.255 1.104 140 HB3 LEU 23 1HB LEU 23 -2.787 1.347 3.065 141 HG LEU 23 HG LEU 23 -1.490 0.919 1.032 142 HD11 LEU 23 1HD1 LEU 23 -2.878 0.291 -0.651 143 HD12 LEU 23 2HD1 LEU 23 -2.605 1.959 -1.151 144 HD13 LEU 23 3HD1 LEU 23 -4.095 1.531 -0.290 145 HD21 LEU 23 3HD2 LEU 23 -2.695 3.688 0.966 146 HD22 LEU 23 1HD2 LEU 23 -1.143 3.191 0.257 147 HD23 LEU 23 2HD2 LEU 23 -1.353 3.139 2.009 148 H VAL 24 H VAL 24 -3.250 -1.814 0.252 149 HA VAL 24 HA VAL 24 -1.247 -3.227 1.977 150 HB VAL 24 HB VAL 24 -2.639 -4.211 -0.556 151 HG11 VAL 24 1HG1 VAL 24 -0.416 -5.255 -0.192 152 HG12 VAL 24 2HG1 VAL 24 -0.896 -5.688 1.468 153 HG13 VAL 24 3HG1 VAL 24 -1.710 -6.416 0.063 154 HG21 VAL 24 3HG2 VAL 24 -3.935 -5.689 0.926 155 HG22 VAL 24 1HG2 VAL 24 -3.199 -4.942 2.360 156 HG23 VAL 24 2HG2 VAL 24 -4.271 -4.007 1.290 157 H GLU 25 H GLU 25 0.757 -2.678 1.653 158 HA GLU 25 HA GLU 25 1.563 -1.398 -0.913 159 HB3 GLU 25 1HB GLU 25 2.594 -1.175 1.931 160 HG3 GLU 25 1HG GLU 25 3.409 0.514 -0.460 161 H PHE 26 H PHE 26 3.059 -2.261 -2.174 162 HA PHE 26 HA PHE 26 4.649 -4.587 -1.231 163 HB3 PHE 26 1HB PHE 26 4.866 -5.148 -3.580 164 HD1 PHE 26 HD1 PHE 26 3.085 -6.323 -1.732 165 HD2 PHE 26 HD2 PHE 26 2.112 -3.691 -5.005 166 HE1 PHE 26 HE1 PHE 26 0.717 -7.069 -1.635 167 HE2 PHE 26 HE2 PHE 26 -0.212 -4.555 -4.995 168 HZ PHE 26 HZ PHE 26 -0.939 -6.151 -3.245 169 H GLY 27 H GLY 27 6.765 -4.370 -0.901 170 HA2 GLY 27 1HA GLY 27 8.578 -2.730 -2.331 171 HA3 GLY 27 2HA GLY 27 8.026 -1.817 -0.947 172 H THR 28 H THR 28 10.307 -1.880 -0.312 173 HA THR 28 HA THR 28 10.732 -3.922 1.732 174 HB THR 28 HB THR 28 13.118 -4.216 1.236 175 HG1 THR 28 HG1 THR 28 13.792 -3.606 -0.912 176 HG21 THR 28 3HG2 THR 28 12.986 -5.790 -0.581 177 HG22 THR 28 1HG2 THR 28 11.489 -5.057 -1.178 178 HG23 THR 28 2HG2 THR 28 11.511 -5.900 0.379 179 H ASP 29 H ASP 29 12.835 -3.115 3.046 180 HA ASP 29 HA ASP 29 12.249 -0.293 3.679 181 HB3 ASP 29 1HB ASP 29 12.441 -1.940 5.495 182 H TRP 30 H TRP 30 14.224 -1.842 1.486 183 HA TRP 30 HA TRP 30 16.465 0.124 1.712 184 HB3 TRP 30 1HB TRP 30 17.159 -1.966 2.527 185 HD1 TRP 30 HD TRP 30 15.839 -4.116 2.966 186 HE1 TRP 30 HE1 TRP 30 15.187 -6.180 1.607 187 HE3 TRP 30 HE3 TRP 30 17.249 -2.489 -1.682 188 HZ2 TRP 30 HZ2 TRP 30 15.108 -6.953 -1.193 189 HZ3 TRP 30 HZ3 TRP 30 16.886 -3.905 -3.659 190 HH2 TRP 30 HH TRP 30 15.807 -6.142 -3.444 191 H CYS 31 H CYS 31 14.162 -1.113 -0.667 192 HA CYS 31 HA CYS 31 15.763 -0.512 -2.977 193 HB2 CYS 31 1HB CYS 31 13.750 -1.896 -3.130 194 HB3 CYS 31 2HB CYS 31 12.738 -0.534 -2.631 195 H GLY 32 H GLY 32 15.972 1.298 -4.244 196 HA2 GLY 32 1HA GLY 32 15.809 3.905 -3.030 197 HA3 GLY 32 2HA GLY 32 16.218 3.564 -4.707 198 H HIS 33 H HIS 33 13.489 2.117 -5.063 199 HA HIS 33 HA HIS 33 11.769 4.426 -5.591 200 HB2 HIS 33 1HB HIS 33 10.971 1.499 -5.177 201 HB3 HIS 33 2HB HIS 33 10.034 2.771 -5.946 202 HD1 HIS 33 HD1 HIS 33 12.214 -0.042 -6.810 203 HD2 HIS 33 HD2 HIS 33 11.024 3.649 -8.408 204 HE1 HIS 33 HE1 HIS 33 12.294 -0.309 -9.363 205 H CYS 34 H CYS 34 11.980 1.921 -3.056 206 HA CYS 34 HA CYS 34 9.745 2.814 -1.516 207 HB3 CYS 34 1HB CYS 34 11.174 1.522 0.307 208 HG CYS 34 HG CYS 34 10.141 0.268 -2.635 209 H GLN 35 H GLN 35 13.198 3.745 -1.364 210 HA GLN 35 HA GLN 35 12.971 5.149 1.084 211 HB3 GLN 35 1HB GLN 35 14.994 6.396 0.417 212 HG3 GLN 35 1HG GLN 35 16.551 4.710 0.037 213 HE21 GLN 35 2HE2 GLN 35 14.359 2.113 0.182 214 HE22 GLN 35 1HE2 GLN 35 14.461 1.884 1.937 215 H ALA 36 H ALA 36 11.888 6.025 -2.072 216 HA ALA 36 HA ALA 36 11.334 8.876 -1.439 217 HB1 ALA 36 3HB ALA 36 10.835 7.197 -3.943 218 HB2 ALA 36 1HB ALA 36 10.632 8.956 -3.787 219 HB3 ALA 36 2HB ALA 36 12.252 8.234 -3.653 220 H ALA 37 H ALA 37 9.533 5.804 -2.011 221 HA ALA 37 HA ALA 37 6.942 7.133 -1.815 222 HB1 ALA 37 3HB ALA 37 7.669 4.188 -1.927 223 HB2 ALA 37 1HB ALA 37 6.042 4.904 -2.136 224 HB3 ALA 37 2HB ALA 37 7.311 5.250 -3.321 225 H GLN 38 H GLN 38 9.003 5.328 0.443 226 HA GLN 38 HA GLN 38 7.074 4.719 2.458 227 HB3 GLN 38 1HB GLN 38 9.181 4.879 3.968 228 HG3 GLN 38 1HG GLN 38 9.067 2.984 1.582 229 HE21 GLN 38 2HE2 GLN 38 9.889 1.650 4.725 230 HE22 GLN 38 1HE2 GLN 38 11.588 1.481 4.348 231 HA PRO 39 HA PRO 39 7.833 8.908 4.610 232 HB3 PRO 39 1HB PRO 39 9.969 9.727 4.333 233 HG3 PRO 39 1HG PRO 39 11.092 9.571 2.241 234 HD3 PRO 39 1HD PRO 39 10.465 7.387 2.873 235 H LEU 40 H LEU 40 7.039 8.551 1.234 236 HA LEU 40 HA LEU 40 5.332 10.888 0.968 237 HB3 LEU 40 1HB LEU 40 4.623 8.473 -0.614 238 HG LEU 40 HG LEU 40 4.757 9.721 -2.502 239 HD11 LEU 40 1HD1 LEU 40 3.013 10.567 -0.779 240 HD12 LEU 40 2HD1 LEU 40 3.363 11.544 -2.210 241 HD13 LEU 40 3HD1 LEU 40 4.054 11.981 -0.622 242 HD21 LEU 40 3HD2 LEU 40 5.912 11.860 -2.794 243 HD22 LEU 40 1HD2 LEU 40 7.024 10.579 -2.299 244 HD23 LEU 40 2HD2 LEU 40 6.501 11.792 -1.113 245 H LEU 41 H LEU 41 4.700 7.393 1.467 246 HA LEU 41 HA LEU 41 1.932 7.634 2.032 247 HB3 LEU 41 1HB LEU 41 2.468 5.424 3.420 248 HG LEU 41 HG LEU 41 2.299 4.002 1.582 249 HD11 LEU 41 1HD1 LEU 41 0.460 4.799 0.305 250 HD12 LEU 41 2HD1 LEU 41 0.804 6.488 0.717 251 HD13 LEU 41 3HD1 LEU 41 0.310 5.346 1.985 252 HD21 LEU 41 3HD2 LEU 41 4.141 4.698 0.231 253 HD22 LEU 41 1HD2 LEU 41 3.378 6.249 -0.137 254 HD23 LEU 41 2HD2 LEU 41 2.679 4.737 -0.762 255 H ALA 42 H ALA 42 4.766 7.695 4.166 256 HA ALA 42 HA ALA 42 3.411 7.889 6.649 257 HB1 ALA 42 3HB ALA 42 5.528 8.788 7.496 258 HB2 ALA 42 1HB ALA 42 5.864 7.482 6.328 259 HB3 ALA 42 2HB ALA 42 6.053 9.187 5.851 260 H GLU 43 H GLU 43 4.128 10.497 4.306 261 HA GLU 43 HA GLU 43 3.185 12.615 6.057 262 HB3 GLU 43 1HB GLU 43 3.116 13.914 3.825 263 HG3 GLU 43 1HG GLU 43 5.666 13.812 3.625 264 H VAL 44 H VAL 44 1.671 10.892 3.245 265 HA VAL 44 HA VAL 44 -0.802 12.319 3.495 266 HB VAL 44 HB VAL 44 -0.426 11.357 1.445 267 HG11 VAL 44 1HG1 VAL 44 -0.317 9.066 0.880 268 HG12 VAL 44 2HG1 VAL 44 0.995 9.495 1.946 269 HG13 VAL 44 3HG1 VAL 44 -0.392 8.560 2.590 270 HG21 VAL 44 3HG2 VAL 44 -2.456 10.136 0.986 271 HG22 VAL 44 1HG2 VAL 44 -2.594 9.639 2.680 272 HG23 VAL 44 2HG2 VAL 44 -2.809 11.333 2.249 273 H PHE 45 H PHE 45 0.117 9.132 4.817 274 HA PHE 45 HA PHE 45 -2.369 8.403 5.940 275 HB3 PHE 45 1HB PHE 45 -0.574 7.301 7.721 276 HD1 PHE 45 HD2 PHE 45 -2.858 6.123 7.356 277 HD2 PHE 45 HD1 PHE 45 0.486 5.833 4.634 278 HE1 PHE 45 HE2 PHE 45 -3.671 3.931 6.543 279 HE2 PHE 45 HE1 PHE 45 -0.327 3.647 3.886 280 HZ PHE 45 HZ PHE 45 -2.424 2.691 4.813 281 H SER 46 H SER 46 -0.070 10.754 7.285 282 HA SER 46 HA SER 46 -1.070 10.781 9.964 283 HB3 SER 46 1HB SER 46 -0.145 13.109 10.012 284 HG SER 46 HG SER 46 2.032 12.399 9.602 285 H ASP 47 H ASP 47 -2.600 11.985 7.045 286 HA ASP 47 HA ASP 47 -4.562 13.546 8.651 287 HB3 ASP 47 1HB ASP 47 -4.469 13.269 5.642 288 H TYR 48 H TYR 48 -4.136 10.396 7.527 289 HA TYR 48 HA TYR 48 -7.050 9.753 7.699 290 HB3 TYR 48 1HB TYR 48 -6.895 8.260 5.816 291 HD1 TYR 48 HD2 TYR 48 -8.454 10.242 5.374 292 HD2 TYR 48 HD1 TYR 48 -4.282 10.276 4.365 293 HE1 TYR 48 HE2 TYR 48 -8.849 12.142 3.832 294 HE2 TYR 48 HE1 TYR 48 -4.621 12.299 2.974 295 HH TYR 48 HH TYR 48 -6.141 13.822 2.161 296 HA PRO 49 HA PRO 49 -4.071 6.946 10.218 297 HB3 PRO 49 1HB PRO 49 -3.628 8.423 11.934 298 HG3 PRO 49 1HG PRO 49 -5.169 10.171 12.491 299 HD3 PRO 49 1HD PRO 49 -4.671 10.348 10.198 300 H GLU 50 H GLU 50 -7.578 7.445 10.178 301 HA GLU 50 HA GLU 50 -8.273 4.939 11.380 302 HB3 GLU 50 1HB GLU 50 -9.815 6.837 11.192 303 HG3 GLU 50 1HG GLU 50 -10.015 6.157 8.220 304 H VAL 51 H VAL 51 -6.803 5.528 8.326 305 HA VAL 51 HA VAL 51 -7.786 3.022 7.081 306 HB VAL 51 HB VAL 51 -5.642 4.969 6.134 307 HG11 VAL 51 1HG1 VAL 51 -6.977 2.643 4.670 308 HG12 VAL 51 2HG1 VAL 51 -5.887 3.837 3.940 309 HG13 VAL 51 3HG1 VAL 51 -5.272 2.735 5.167 310 HG21 VAL 51 3HG2 VAL 51 -7.317 5.688 4.475 311 HG22 VAL 51 1HG2 VAL 51 -8.524 4.615 5.224 312 HG23 VAL 51 2HG2 VAL 51 -7.867 6.010 6.119 313 H GLY 52 H GLY 52 -6.607 1.122 7.067 314 HA2 GLY 52 1HA GLY 52 -4.259 0.846 8.899 315 HA3 GLY 52 2HA GLY 52 -5.205 -0.459 8.150 316 H HIS 53 H HIS 53 -2.272 -0.125 8.201 317 HA HIS 53 HA HIS 53 -1.835 -0.150 5.243 318 HB2 HIS 53 1HB HIS 53 -0.835 1.834 6.646 319 HB3 HIS 53 2HB HIS 53 0.333 0.657 7.201 320 HD1 HIS 53 HD1 HIS 53 2.248 2.116 5.844 321 HD2 HIS 53 HD2 HIS 53 -0.821 0.465 3.496 322 HE1 HIS 53 HE1 HIS 53 2.945 2.370 3.381 323 H LEU 54 H LEU 54 -1.116 -2.059 4.509 324 HA LEU 54 HA LEU 54 0.317 -3.946 6.338 325 HB3 LEU 54 1HB LEU 54 -1.406 -4.448 3.895 326 HG LEU 54 HG LEU 54 0.351 -6.158 3.945 327 HD11 LEU 54 1HD1 LEU 54 1.073 -6.087 6.276 328 HD12 LEU 54 2HD1 LEU 54 0.546 -7.731 5.873 329 HD13 LEU 54 3HD1 LEU 54 -0.517 -6.672 6.824 330 HD21 LEU 54 3HD2 LEU 54 -1.950 -6.795 3.308 331 HD22 LEU 54 1HD2 LEU 54 -2.309 -7.208 4.998 332 HD23 LEU 54 2HD2 LEU 54 -1.099 -8.135 4.080 333 H LYS 55 H LYS 55 2.417 -3.440 6.082 334 HA LYS 55 HA LYS 55 3.670 -2.780 3.504 335 HB3 LYS 55 1HB LYS 55 5.724 -2.909 4.947 336 HG3 LYS 55 1HG LYS 55 3.579 -0.911 5.251 337 HD3 LYS 55 1HD LYS 55 4.897 0.426 6.787 338 HE3 LYS 55 1HE LYS 55 4.151 -2.312 7.907 339 HZ1 LYS 55 3HZ LYS 55 5.576 -1.108 9.447 340 HZ2 LYS 55 1HZ LYS 55 4.062 -1.227 10.047 341 HZ3 LYS 55 2HZ LYS 55 4.569 0.194 9.429 342 H VAL 56 H VAL 56 3.615 -4.607 2.105 343 HA VAL 56 HA VAL 56 4.642 -7.205 3.177 344 HB VAL 56 HB VAL 56 3.390 -6.693 0.459 345 HG11 VAL 56 1HG1 VAL 56 3.203 -9.232 0.509 346 HG12 VAL 56 2HG1 VAL 56 4.855 -8.631 0.395 347 HG13 VAL 56 3HG1 VAL 56 4.224 -9.222 1.948 348 HG21 VAL 56 3HG2 VAL 56 1.660 -6.331 2.038 349 HG22 VAL 56 1HG2 VAL 56 1.466 -8.009 1.524 350 HG23 VAL 56 2HG2 VAL 56 2.216 -7.666 3.091 351 H GLU 57 H GLU 57 6.570 -7.726 3.029 352 HA GLU 57 HA GLU 57 8.527 -6.321 1.495 353 HB3 GLU 57 1HB GLU 57 9.017 -8.990 2.815 354 HG3 GLU 57 1HG GLU 57 10.533 -6.371 2.609 355 H ASP 58 H ASP 58 8.193 -6.430 -0.637 356 HA ASP 58 HA ASP 58 7.360 -8.967 -1.930 357 HB3 ASP 58 1HB ASP 58 7.227 -6.213 -3.173 358 H GLY 59 H GLY 59 10.234 -7.785 -1.414 359 HA2 GLY 59 1HA GLY 59 11.477 -7.749 -4.083 360 HA3 GLY 59 2HA GLY 59 12.288 -7.597 -2.515 361 HA PRO 60 HA PRO 60 13.254 -12.008 -2.416 362 HB3 PRO 60 1HB PRO 60 12.667 -13.169 -0.448 363 HG3 PRO 60 1HG PRO 60 13.261 -10.960 0.300 364 HD3 PRO 60 1HD PRO 60 12.102 -9.076 -0.493 365 H GLY 61 H GLY 61 12.348 -14.371 -2.721 366 HA2 GLY 61 1HA GLY 61 10.739 -14.494 -5.099 367 HA3 GLY 61 2HA GLY 61 11.254 -15.871 -4.110 368 H ARG 62 H ARG 62 9.914 -14.756 -1.683 369 HA ARG 62 HA ARG 62 7.115 -15.510 -2.170 370 HB3 ARG 62 1HB ARG 62 8.380 -14.398 0.372 371 HG3 ARG 62 1HG ARG 62 5.889 -16.077 -0.176 372 HD3 ARG 62 1HD ARG 62 6.846 -14.985 2.504 373 HE ARG 62 HE ARG 62 4.896 -17.202 2.126 374 HH11 ARG 62 1HH1 ARG 62 5.301 -13.820 3.242 375 HH12 ARG 62 2HH1 ARG 62 3.627 -13.768 3.752 376 HH21 ARG 62 1HH2 ARG 62 2.786 -16.963 2.932 377 HH22 ARG 62 2HH2 ARG 62 2.318 -15.424 3.616 378 H ARG 63 H ARG 63 5.589 -14.122 -2.804 379 HA ARG 63 HA ARG 63 5.815 -11.177 -2.393 380 HB3 ARG 63 1HB ARG 63 5.226 -10.846 -4.799 381 HG3 ARG 63 1HG ARG 63 7.846 -12.377 -4.558 382 HD3 ARG 63 1HD ARG 63 7.220 -11.753 -6.854 383 HE ARG 63 HE ARG 63 6.795 -9.073 -5.667 384 HH11 ARG 63 1HH1 ARG 63 7.159 -10.757 -8.770 385 HH12 ARG 63 2HH1 ARG 63 6.276 -9.518 -9.608 386 HH21 ARG 63 1HH2 ARG 63 5.705 -7.624 -6.725 387 HH22 ARG 63 2HH2 ARG 63 5.443 -7.724 -8.468 388 H LEU 64 H LEU 64 3.915 -10.046 -2.680 389 HA LEU 64 HA LEU 64 1.344 -11.602 -2.967 390 HB3 LEU 64 1HB LEU 64 1.824 -9.073 -1.354 391 HG LEU 64 HG LEU 64 -0.514 -9.320 -2.079 392 HD11 LEU 64 1HD1 LEU 64 -0.764 -11.717 -2.453 393 HD12 LEU 64 2HD1 LEU 64 -1.897 -11.221 -1.202 394 HD13 LEU 64 3HD1 LEU 64 -0.401 -12.057 -0.740 395 HD21 LEU 64 3HD2 LEU 64 -0.132 -8.342 0.090 396 HD22 LEU 64 1HD2 LEU 64 -0.024 -9.951 0.859 397 HD23 LEU 64 2HD2 LEU 64 -1.557 -9.377 0.189 398 H GLY 65 H GLY 65 3.179 -8.651 -3.912 399 HA2 GLY 65 1HA GLY 65 1.155 -7.499 -5.568 400 HA3 GLY 65 2HA GLY 65 2.907 -7.251 -5.725 401 H ARG 66 H ARG 66 3.190 -10.254 -6.141 402 HA ARG 66 HA ARG 66 2.866 -10.660 -8.938 403 HB3 ARG 66 1HB ARG 66 2.933 -12.645 -6.625 404 HG3 ARG 66 1HG ARG 66 3.687 -13.080 -9.557 405 HD3 ARG 66 1HD ARG 66 3.826 -15.473 -8.843 406 HE ARG 66 HE ARG 66 5.906 -14.070 -8.860 407 HH11 ARG 66 1HH1 ARG 66 4.853 -15.578 -5.810 408 HH12 ARG 66 2HH1 ARG 66 6.490 -15.569 -5.192 409 HH21 ARG 66 1HH2 ARG 66 7.953 -14.209 -7.976 410 HH22 ARG 66 2HH2 ARG 66 8.153 -14.814 -6.343 411 H SER 67 H SER 67 0.677 -11.490 -6.202 412 HA SER 67 HA SER 67 -1.358 -12.669 -8.011 413 HB3 SER 67 1HB SER 67 -2.543 -13.154 -5.891 414 HG SER 67 HG SER 67 0.230 -13.842 -5.665 415 H PHE 68 H PHE 68 -0.682 -9.539 -6.838 416 HA PHE 68 HA PHE 68 -3.406 -8.549 -7.531 417 HB3 PHE 68 1HB PHE 68 -2.175 -6.298 -7.082 418 HD1 PHE 68 HD1 PHE 68 -1.360 -8.630 -4.345 419 HD2 PHE 68 HD2 PHE 68 -4.303 -6.005 -6.037 420 HE1 PHE 68 HE1 PHE 68 -2.599 -8.678 -2.197 421 HE2 PHE 68 HE2 PHE 68 -5.598 -6.071 -3.904 422 HZ PHE 68 HZ PHE 68 -4.745 -7.390 -1.983 423 H GLN 69 H GLN 69 -0.675 -9.563 -9.219 424 HA GLN 69 HA GLN 69 0.193 -9.194 -11.287 425 HB3 GLN 69 1HB GLN 69 -1.488 -8.754 -13.065 426 HG3 GLN 69 1HG GLN 69 -1.077 -11.015 -12.033 427 HE21 GLN 69 2HE2 GLN 69 -4.032 -9.470 -10.581 428 HE22 GLN 69 1HE2 GLN 69 -4.141 -10.731 -9.362 429 H VAL 70 H VAL 70 0.934 -7.272 -9.629 430 HA VAL 70 HA VAL 70 0.246 -4.595 -10.154 431 HB VAL 70 HB VAL 70 2.624 -5.967 -8.889 432 HG11 VAL 70 1HG1 VAL 70 3.642 -3.922 -9.680 433 HG12 VAL 70 2HG1 VAL 70 2.259 -2.960 -9.091 434 HG13 VAL 70 3HG1 VAL 70 3.343 -3.778 -7.945 435 HG21 VAL 70 3HG2 VAL 70 0.438 -4.169 -7.747 436 HG22 VAL 70 1HG2 VAL 70 0.358 -5.934 -7.786 437 HG23 VAL 70 2HG2 VAL 70 1.629 -5.141 -6.859 438 H LYS 71 H LYS 71 0.981 -2.942 -11.370 439 HA LYS 71 HA LYS 71 2.156 -3.547 -13.957 440 HB3 LYS 71 1HB LYS 71 1.806 -1.169 -14.386 441 HG3 LYS 71 1HG LYS 71 -0.519 -0.832 -14.003 442 HD3 LYS 71 1HD LYS 71 0.227 -2.736 -15.653 443 HE3 LYS 71 1HE LYS 71 -1.315 -4.277 -13.501 444 HZ1 LYS 71 3HZ LYS 71 -0.293 -5.227 -16.116 445 HZ2 LYS 71 1HZ LYS 71 -1.879 -4.981 -15.754 446 HZ3 LYS 71 2HZ LYS 71 -1.029 -6.144 -14.977 447 H LEU 72 H LEU 72 3.274 -1.516 -11.246 448 HA LEU 72 HA LEU 72 6.102 -1.955 -12.041 449 HB3 LEU 72 1HB LEU 72 5.112 0.718 -10.991 450 HG LEU 72 HG LEU 72 7.642 0.056 -10.970 451 HD11 LEU 72 1HD1 LEU 72 7.724 -0.971 -13.222 452 HD12 LEU 72 2HD1 LEU 72 8.817 0.417 -13.114 453 HD13 LEU 72 3HD1 LEU 72 7.261 0.579 -13.953 454 HD21 LEU 72 3HD2 LEU 72 8.298 2.334 -11.643 455 HD22 LEU 72 1HD2 LEU 72 6.839 2.348 -10.640 456 HD23 LEU 72 2HD2 LEU 72 6.698 2.575 -12.400 457 H TRP 73 H TRP 73 7.445 -2.250 -10.262 458 HA TRP 73 HA TRP 73 6.226 -3.636 -8.194 459 HB3 TRP 73 1HB TRP 73 8.963 -2.394 -8.201 460 HD1 TRP 73 HD TRP 73 7.686 -5.954 -7.331 461 HE1 TRP 73 HE1 TRP 73 8.529 -6.570 -4.984 462 HE3 TRP 73 HE3 TRP 73 9.862 -1.497 -6.094 463 HZ2 TRP 73 HZ2 TRP 73 10.309 -5.391 -3.011 464 HZ3 TRP 73 HZ3 TRP 73 11.089 -1.266 -3.968 465 HH2 TRP 73 HH TRP 73 11.423 -3.200 -2.479 466 HA PRO 74 HA PRO 74 6.604 -0.219 -4.982 467 HB3 PRO 74 1HB PRO 74 8.373 1.198 -5.468 468 HG3 PRO 74 1HG PRO 74 8.659 2.119 -7.677 469 HD3 PRO 74 1HD PRO 74 8.658 -0.195 -8.017 470 H THR 75 H THR 75 4.432 -1.008 -5.266 471 HA THR 75 HA THR 75 2.374 1.016 -6.047 472 HB THR 75 HB THR 75 2.578 -1.916 -6.820 473 HG1 THR 75 HG1 THR 75 3.331 -0.717 -8.406 474 HG21 THR 75 3HG2 THR 75 0.238 -1.690 -6.115 475 HG22 THR 75 1HG2 THR 75 0.340 -1.685 -7.873 476 HG23 THR 75 2HG2 THR 75 0.088 -0.156 -7.004 477 H PHE 76 H PHE 76 0.570 1.005 -4.865 478 HA PHE 76 HA PHE 76 0.260 -0.980 -2.708 479 HB3 PHE 76 1HB PHE 76 1.072 0.642 -1.269 480 HD1 PHE 76 HD1 PHE 76 2.856 1.741 -2.635 481 HD2 PHE 76 HD2 PHE 76 -1.156 3.281 -2.247 482 HE1 PHE 76 HE1 PHE 76 3.625 3.953 -3.482 483 HE2 PHE 76 HE2 PHE 76 -0.377 5.473 -3.000 484 HZ PHE 76 HZ PHE 76 1.990 5.796 -3.705 485 H VAL 77 H VAL 77 -1.675 -1.740 -2.520 486 HA VAL 77 HA VAL 77 -3.820 -0.748 -4.340 487 HB VAL 77 HB VAL 77 -3.456 -3.533 -3.201 488 HG11 VAL 77 1HG1 VAL 77 -5.814 -2.936 -3.799 489 HG12 VAL 77 2HG1 VAL 77 -5.270 -2.459 -5.405 490 HG13 VAL 77 3HG1 VAL 77 -5.150 -4.138 -4.917 491 HG21 VAL 77 3HG2 VAL 77 -2.714 -4.168 -5.475 492 HG22 VAL 77 1HG2 VAL 77 -2.839 -2.485 -6.005 493 HG23 VAL 77 2HG2 VAL 77 -1.638 -2.950 -4.801 494 H PHE 78 H PHE 78 -5.600 0.049 -3.517 495 HA PHE 78 HA PHE 78 -5.964 0.117 -0.561 496 HB3 PHE 78 1HB PHE 78 -7.790 1.713 -1.102 497 HD1 PHE 78 HD2 PHE 78 -5.034 2.202 -3.605 498 HD2 PHE 78 HD1 PHE 78 -6.599 3.383 0.241 499 HE1 PHE 78 HE2 PHE 78 -3.277 3.919 -3.400 500 HE2 PHE 78 HE1 PHE 78 -4.865 5.162 0.372 501 HZ PHE 78 HZ PHE 78 -3.230 5.434 -1.492 502 H LEU 79 H LEU 79 -7.089 -1.473 0.369 503 HA LEU 79 HA LEU 79 -9.253 -2.835 -1.144 504 HB3 LEU 79 1HB LEU 79 -9.048 -4.492 0.851 505 HG LEU 79 HG LEU 79 -8.491 -5.063 -1.490 506 HD11 LEU 79 1HD1 LEU 79 -5.765 -4.032 -0.675 507 HD12 LEU 79 2HD1 LEU 79 -6.809 -3.510 -2.022 508 HD13 LEU 79 3HD1 LEU 79 -6.030 -5.101 -2.058 509 HD21 LEU 79 3HD2 LEU 79 -6.663 -6.216 0.645 510 HD22 LEU 79 1HD2 LEU 79 -7.061 -6.983 -0.903 511 HD23 LEU 79 2HD2 LEU 79 -8.334 -6.717 0.301 512 H ARG 80 H ARG 80 -11.171 -3.205 -0.153 513 HA ARG 80 HA ARG 80 -11.882 -2.427 2.527 514 HB3 ARG 80 1HB ARG 80 -13.309 -0.771 0.415 515 HG3 ARG 80 1HG ARG 80 -12.830 -0.455 3.402 516 HD3 ARG 80 1HD ARG 80 -14.290 1.414 1.485 517 HE ARG 80 HE ARG 80 -14.850 1.149 4.116 518 HH11 ARG 80 1HH1 ARG 80 -13.094 3.800 2.477 519 HH12 ARG 80 2HH1 ARG 80 -13.656 4.956 3.637 520 HH21 ARG 80 1HH2 ARG 80 -15.454 2.728 5.578 521 HH22 ARG 80 2HH2 ARG 80 -14.937 4.373 5.346 522 H ASP 81 H ASP 81 -13.726 -3.451 3.135 523 HA ASP 81 HA ASP 81 -15.331 -5.061 3.158 524 HB3 ASP 81 1HB ASP 81 -16.017 -4.276 0.299 525 H GLY 82 H GLY 82 -12.628 -5.768 2.233 526 HA2 GLY 82 1HA GLY 82 -11.555 -7.772 1.755 527 HA3 GLY 82 2HA GLY 82 -13.104 -8.499 1.283 528 H ARG 83 H ARG 83 -12.966 -5.733 -0.522 529 HA ARG 83 HA ARG 83 -11.777 -7.126 -2.875 530 HB3 ARG 83 1HB ARG 83 -13.224 -5.442 -4.138 531 HG3 ARG 83 1HG ARG 83 -13.850 -7.892 -3.771 532 HD3 ARG 83 1HD ARG 83 -15.747 -6.470 -1.861 533 HE ARG 83 HE ARG 83 -16.386 -8.655 -3.519 534 HH11 ARG 83 1HH1 ARG 83 -16.447 -8.001 -0.038 535 HH12 ARG 83 2HH1 ARG 83 -17.734 -9.144 0.237 536 HH21 ARG 83 1HH2 ARG 83 -18.033 -10.129 -3.082 537 HH22 ARG 83 2HH2 ARG 83 -18.604 -10.318 -1.453 538 H GLU 84 H GLU 84 -10.628 -5.871 -4.331 539 HA GLU 84 HA GLU 84 -9.107 -3.532 -3.369 540 HB3 GLU 84 1HB GLU 84 -9.260 -5.017 -5.996 541 HG3 GLU 84 1HG GLU 84 -7.748 -2.447 -5.415 542 H VAL 85 H VAL 85 -9.840 -1.542 -3.353 543 HA VAL 85 HA VAL 85 -12.249 -0.753 -4.969 544 HB VAL 85 HB VAL 85 -12.279 1.274 -3.522 545 HG11 VAL 85 1HG1 VAL 85 -12.590 -1.398 -2.087 546 HG12 VAL 85 2HG1 VAL 85 -13.396 0.134 -1.677 547 HG13 VAL 85 3HG1 VAL 85 -13.760 -0.687 -3.206 548 HG21 VAL 85 3HG2 VAL 85 -10.452 -0.269 -1.646 549 HG22 VAL 85 1HG2 VAL 85 -9.893 1.104 -2.623 550 HG23 VAL 85 2HG2 VAL 85 -11.149 1.337 -1.391 551 H ALA 86 H ALA 86 -8.822 -0.224 -4.677 552 HA ALA 86 HA ALA 86 -8.585 1.147 -7.191 553 HB1 ALA 86 3HB ALA 86 -8.160 2.770 -4.633 554 HB2 ALA 86 1HB ALA 86 -7.702 3.309 -6.250 555 HB3 ALA 86 2HB ALA 86 -9.413 3.083 -5.874 556 H ARG 87 H ARG 87 -6.236 2.016 -7.340 557 HA ARG 87 HA ARG 87 -4.392 1.222 -5.277 558 HB3 ARG 87 1HB ARG 87 -4.488 -0.870 -6.502 559 HG3 ARG 87 1HG ARG 87 -3.385 0.703 -8.870 560 HD3 ARG 87 1HD ARG 87 -2.274 -1.467 -8.163 561 HE ARG 87 HE ARG 87 -4.918 -2.536 -8.316 562 HH11 ARG 87 1HH1 ARG 87 -1.769 -3.396 -9.718 563 HH12 ARG 87 2HH1 ARG 87 -2.185 -5.097 -9.761 564 HH21 ARG 87 1HH2 ARG 87 -5.295 -4.734 -8.302 565 HH22 ARG 87 2HH2 ARG 87 -4.104 -5.817 -9.024 566 H VAL 88 H VAL 88 -2.343 2.177 -5.501 567 HA VAL 88 HA VAL 88 -2.106 4.314 -7.631 568 HB VAL 88 HB VAL 88 -1.338 4.376 -4.731 569 HG11 VAL 88 1HG1 VAL 88 -0.334 6.676 -5.203 570 HG12 VAL 88 2HG1 VAL 88 0.564 5.379 -5.992 571 HG13 VAL 88 3HG1 VAL 88 -0.562 6.363 -6.937 572 HG21 VAL 88 3HG2 VAL 88 -3.001 6.421 -6.214 573 HG22 VAL 88 1HG2 VAL 88 -3.665 5.087 -5.246 574 HG23 VAL 88 2HG2 VAL 88 -2.685 6.323 -4.456 575 H VAL 89 H VAL 89 -0.484 3.986 -8.924 576 HA VAL 89 HA VAL 89 1.803 2.171 -8.217 577 HB VAL 89 HB VAL 89 0.722 2.995 -10.944 578 HG11 VAL 89 1HG1 VAL 89 2.915 0.992 -10.281 579 HG12 VAL 89 2HG1 VAL 89 2.229 1.278 -11.894 580 HG13 VAL 89 3HG1 VAL 89 3.122 2.559 -11.086 581 HG21 VAL 89 3HG2 VAL 89 -0.027 0.694 -11.265 582 HG22 VAL 89 1HG2 VAL 89 0.455 0.279 -9.615 583 HG23 VAL 89 2HG2 VAL 89 -0.854 1.441 -9.899 584 H ARG 90 H ARG 90 3.757 3.128 -8.032 585 HA ARG 90 HA ARG 90 5.458 4.619 -8.087 586 HB3 ARG 90 1HB ARG 90 4.400 5.497 -10.780 587 HG3 ARG 90 1HG ARG 90 7.206 5.008 -9.678 588 HD3 ARG 90 1HD ARG 90 6.332 6.478 -12.199 589 HE ARG 90 HE ARG 90 9.043 5.404 -11.509 590 HH11 ARG 90 1HH1 ARG 90 7.119 8.286 -12.264 591 HH12 ARG 90 2HH1 ARG 90 8.530 9.279 -12.499 592 HH21 ARG 90 1HH2 ARG 90 10.810 6.741 -11.822 593 HH22 ARG 90 2HH2 ARG 90 10.597 8.414 -12.224 594 HA PRO 91 HA PRO 91 2.704 8.217 -6.652 595 HB3 PRO 91 1HB PRO 91 2.755 7.642 -4.493 596 HG3 PRO 91 1HG PRO 91 4.482 6.211 -3.643 597 HD3 PRO 91 1HD PRO 91 3.697 5.116 -5.591 598 H GLY 92 H GLY 92 3.106 10.174 -7.557 599 HA2 GLY 92 1HA GLY 92 5.845 10.972 -8.336 600 HA3 GLY 92 2HA GLY 92 4.303 11.726 -8.824 601 H SER 93 H SER 93 3.341 12.082 -6.099 602 HA SER 93 HA SER 93 5.014 13.691 -4.434 603 HB3 SER 93 1HB SER 93 3.574 15.822 -5.011 604 HG SER 93 HG SER 93 5.782 15.001 -6.619 605 H ALA 94 H ALA 94 3.771 14.537 -2.605 606 HA ALA 94 HA ALA 94 1.719 12.881 -1.677 607 HB1 ALA 94 3HB ALA 94 2.335 15.745 -0.851 608 HB2 ALA 94 1HB ALA 94 1.459 14.539 0.104 609 HB3 ALA 94 2HB ALA 94 3.171 14.293 -0.260 610 H SER 95 H SER 95 1.280 15.940 -3.481 611 HA SER 95 HA SER 95 -1.504 16.161 -3.273 612 HB3 SER 95 1HB SER 95 -1.375 17.465 -5.319 613 HG SER 95 HG SER 95 -0.237 18.502 -3.642 614 H VAL 96 H VAL 96 0.247 13.704 -5.107 615 HA VAL 96 HA VAL 96 -2.202 12.876 -6.613 616 HB VAL 96 HB VAL 96 0.636 11.743 -6.628 617 HG11 VAL 96 1HG1 VAL 96 -1.740 11.149 -8.441 618 HG12 VAL 96 2HG1 VAL 96 -0.071 10.593 -8.705 619 HG13 VAL 96 3HG1 VAL 96 -0.978 10.024 -7.298 620 HG21 VAL 96 3HG2 VAL 96 0.844 12.809 -8.856 621 HG22 VAL 96 1HG2 VAL 96 -0.753 13.576 -8.630 622 HG23 VAL 96 2HG2 VAL 96 0.617 14.012 -7.584 623 H LEU 97 H LEU 97 -0.029 11.760 -3.990 624 HA LEU 97 HA LEU 97 -1.405 9.240 -3.636 625 HB3 LEU 97 1HB LEU 97 0.002 10.248 -1.260 626 HG LEU 97 HG LEU 97 0.682 8.068 -3.323 627 HD11 LEU 97 1HD1 LEU 97 1.799 8.475 -0.519 628 HD12 LEU 97 2HD1 LEU 97 2.647 8.710 -2.083 629 HD13 LEU 97 3HD1 LEU 97 2.100 7.107 -1.626 630 HD21 LEU 97 3HD2 LEU 97 -1.024 8.161 -0.828 631 HD22 LEU 97 1HD2 LEU 97 -0.220 6.658 -1.269 632 HD23 LEU 97 2HD2 LEU 97 -1.387 7.412 -2.376 633 H GLU 98 H GLU 98 -1.542 12.307 -1.782 634 HA GLU 98 HA GLU 98 -3.647 11.689 -0.023 635 HB3 GLU 98 1HB GLU 98 -4.071 14.160 -0.020 636 HG3 GLU 98 1HG GLU 98 -1.097 13.484 0.158 637 H GLU 99 H GLU 99 -3.852 12.890 -3.408 638 HA GLU 99 HA GLU 99 -6.643 13.324 -3.547 639 HB3 GLU 99 1HB GLU 99 -4.582 12.530 -5.628 640 HG3 GLU 99 1HG GLU 99 -7.502 13.156 -6.023 641 H ALA 100 H ALA 100 -4.780 10.311 -3.866 642 HA ALA 100 HA ALA 100 -7.187 8.746 -4.536 643 HB1 ALA 100 3HB ALA 100 -4.361 7.916 -3.749 644 HB2 ALA 100 1HB ALA 100 -5.639 6.838 -4.364 645 HB3 ALA 100 2HB ALA 100 -4.972 8.122 -5.406 646 H PHE 101 H PHE 101 -5.190 9.324 -1.599 647 HA PHE 101 HA PHE 101 -6.467 7.437 0.094 648 HB3 PHE 101 1HB PHE 101 -5.849 9.413 1.800 649 HD1 PHE 101 HD2 PHE 101 -3.319 7.767 -0.568 650 HD2 PHE 101 HD1 PHE 101 -5.154 7.850 3.352 651 HE1 PHE 101 HE2 PHE 101 -1.734 6.097 0.230 652 HE2 PHE 101 HE1 PHE 101 -3.524 6.156 4.135 653 HZ PHE 101 HZ PHE 101 -1.776 5.310 2.537 654 H GLU 102 H GLU 102 -7.258 10.936 -0.350 655 HA GLU 102 HA GLU 102 -9.498 10.956 1.367 656 HB3 GLU 102 1HB GLU 102 -8.410 12.966 0.505 657 HG3 GLU 102 1HG GLU 102 -8.417 12.127 -1.985 658 H SER 103 H SER 103 -9.230 9.976 -2.006 659 HA SER 103 HA SER 103 -12.077 9.828 -2.487 660 HB3 SER 103 1HB SER 103 -10.994 8.331 -4.467 661 HG SER 103 HG SER 103 -10.721 11.170 -4.193 662 H LEU 104 H LEU 104 -9.739 7.580 -1.146 663 HA LEU 104 HA LEU 104 -11.730 5.327 -1.342 664 HB3 LEU 104 1HB LEU 104 -9.718 3.972 -0.547 665 HG LEU 104 HG LEU 104 -8.854 3.527 -2.603 666 HD11 LEU 104 1HD1 LEU 104 -11.409 3.354 -2.483 667 HD12 LEU 104 2HD1 LEU 104 -10.701 3.331 -4.098 668 HD13 LEU 104 3HD1 LEU 104 -11.458 4.812 -3.498 669 HD21 LEU 104 3HD2 LEU 104 -8.838 5.051 -4.576 670 HD22 LEU 104 1HD2 LEU 104 -7.854 5.621 -3.225 671 HD23 LEU 104 2HD2 LEU 104 -9.457 6.342 -3.566 672 H VAL 105 H VAL 105 -10.154 7.374 1.035 673 HA VAL 105 HA VAL 105 -11.160 5.920 3.304 674 HB VAL 105 HB VAL 105 -9.341 7.822 3.159 675 HG11 VAL 105 1HG1 VAL 105 -10.053 10.042 3.776 676 HG12 VAL 105 2HG1 VAL 105 -10.905 9.571 2.308 677 HG13 VAL 105 3HG1 VAL 105 -11.749 9.542 3.858 678 HG21 VAL 105 3HG2 VAL 105 -10.028 6.553 5.185 679 HG22 VAL 105 1HG2 VAL 105 -9.455 8.204 5.466 680 HG23 VAL 105 2HG2 VAL 105 -11.203 7.843 5.543 681 H GLY 106 H GLY 106 -12.558 8.225 1.068 682 HA2 GLY 106 1HA GLY 106 -14.824 8.588 0.631 683 HA3 GLY 106 2HA GLY 106 -15.270 7.893 2.208 684 H GLU 107 H GLU 107 -12.812 10.457 1.845 685 HA GLU 107 HA GLU 107 -14.363 12.183 3.644 686 HB3 GLU 107 1HB GLU 107 -12.190 13.698 2.972 687 HG3 GLU 107 1HG GLU 107 -11.015 12.619 4.921 688 H GLY 108 H GLY 108 -13.568 12.130 0.217 689 HA2 GLY 108 1HA GLY 108 -14.631 13.170 -1.553 690 HA3 GLY 108 2HA GLY 108 -15.900 13.677 -0.408 Start of MODEL 15 1 H1 MET 1 H MET 1 7.982 -7.755 9.608 2 HA MET 1 HA MET 1 7.662 -7.293 12.133 3 HB3 MET 1 1HB MET 1 8.955 -5.214 12.868 4 HG3 MET 1 1HG MET 1 11.100 -6.414 13.285 5 HE1 MET 1 3HE MET 1 8.554 -5.760 15.061 6 HE2 MET 1 1HE MET 1 8.820 -6.918 16.383 7 HE3 MET 1 2HE MET 1 10.196 -6.038 15.681 8 H LYS 2 H LYS 2 6.031 -5.940 12.652 9 HA LYS 2 HA LYS 2 4.530 -5.008 10.435 10 HB3 LYS 2 1HB LYS 2 3.595 -6.067 12.446 11 HG3 LYS 2 1HG LYS 2 4.065 -3.380 13.844 12 HD3 LYS 2 1HD LYS 2 2.735 -5.950 14.810 13 HE3 LYS 2 1HE LYS 2 3.193 -3.240 16.157 14 HZ1 LYS 2 3HZ LYS 2 2.176 -4.330 18.071 15 HZ2 LYS 2 1HZ LYS 2 1.886 -5.686 17.208 16 HZ3 LYS 2 2HZ LYS 2 1.107 -4.300 16.836 17 H THR 3 H THR 3 6.656 -3.101 12.428 18 HA THR 3 HA THR 3 5.377 -0.525 11.914 19 HB THR 3 HB THR 3 7.435 0.419 12.930 20 HG1 THR 3 HG1 THR 3 9.009 -0.893 13.615 21 HG21 THR 3 3HG2 THR 3 7.086 -0.469 15.175 22 HG22 THR 3 1HG2 THR 3 6.272 -1.907 14.533 23 HG23 THR 3 2HG2 THR 3 5.528 -0.296 14.366 24 H ARG 4 H ARG 4 8.279 -2.124 10.746 25 HA ARG 4 HA ARG 4 8.709 -0.187 8.559 26 HB3 ARG 4 1HB ARG 4 10.537 -0.789 10.019 27 HG3 ARG 4 1HG ARG 4 11.019 -3.393 8.674 28 HD3 ARG 4 1HD ARG 4 12.364 -2.148 10.517 29 HE ARG 4 HE ARG 4 10.119 -2.332 12.046 30 HH11 ARG 4 1HH1 ARG 4 13.315 -3.791 12.462 31 HH12 ARG 4 2HH1 ARG 4 13.082 -4.037 14.164 32 HH21 ARG 4 1HH2 ARG 4 9.861 -2.728 14.230 33 HH22 ARG 4 2HH2 ARG 4 11.176 -3.384 15.162 34 H TYR 5 H TYR 5 9.906 -2.048 6.686 35 HA TYR 5 HA TYR 5 7.564 -3.310 5.496 36 HB3 TYR 5 1HB TYR 5 9.527 -4.394 4.072 37 HD1 TYR 5 HD1 TYR 5 9.654 -0.661 4.292 38 HD2 TYR 5 HD2 TYR 5 7.896 -4.106 2.396 39 HE1 TYR 5 HE1 TYR 5 8.621 0.810 2.549 40 HE2 TYR 5 HE2 TYR 5 6.842 -2.628 0.681 41 HH TYR 5 HH TYR 5 6.816 -0.517 -0.225 42 H SER 6 H SER 6 7.071 -5.493 5.273 43 HA SER 6 HA SER 6 8.643 -7.378 6.997 44 HB3 SER 6 1HB SER 6 5.621 -7.288 6.796 45 HG SER 6 HG SER 6 5.853 -8.660 8.642 46 H ALA 7 H ALA 7 9.117 -9.285 6.156 47 HA ALA 7 HA ALA 7 8.051 -10.177 3.566 48 HB1 ALA 7 3HB ALA 7 9.686 -12.011 3.880 49 HB2 ALA 7 1HB ALA 7 10.458 -10.446 4.171 50 HB3 ALA 7 2HB ALA 7 9.996 -11.478 5.539 51 H GLU 8 H GLU 8 6.911 -10.364 6.738 52 HA GLU 8 HA GLU 8 5.845 -13.101 6.585 53 HB3 GLU 8 1HB GLU 8 5.169 -12.701 8.932 54 HG3 GLU 8 1HG GLU 8 7.354 -12.214 9.970 55 H ALA 9 H ALA 9 4.816 -10.932 4.819 56 HA ALA 9 HA ALA 9 2.227 -10.083 5.632 57 HB1 ALA 9 3HB ALA 9 1.854 -9.614 3.210 58 HB2 ALA 9 1HB ALA 9 3.433 -9.016 3.782 59 HB3 ALA 9 2HB ALA 9 3.326 -10.518 2.822 60 HA PRO 10 HA PRO 10 -0.408 -13.575 5.218 61 HB3 PRO 10 1HB PRO 10 -2.115 -12.209 5.987 62 HG3 PRO 10 1HG PRO 10 -2.349 -9.941 5.166 63 HD3 PRO 10 1HD PRO 10 -0.211 -10.284 6.144 64 H ALA 11 H ALA 11 -1.518 -14.956 3.812 65 HA ALA 11 HA ALA 11 -1.021 -14.742 0.908 66 HB1 ALA 11 3HB ALA 11 -2.604 -16.753 2.604 67 HB2 ALA 11 1HB ALA 11 -2.250 -16.927 0.867 68 HB3 ALA 11 2HB ALA 11 -0.920 -16.960 2.050 69 H ARG 12 H ARG 12 -2.904 -14.764 -0.616 70 HA ARG 12 HA ARG 12 -4.590 -12.573 -0.049 71 HB3 ARG 12 1HB ARG 12 -5.737 -14.145 -2.214 72 HG3 ARG 12 1HG ARG 12 -4.694 -12.262 -3.576 73 HD3 ARG 12 1HD ARG 12 -5.841 -10.328 -2.443 74 HE ARG 12 HE ARG 12 -7.113 -11.860 -3.958 75 HH11 ARG 12 1HH1 ARG 12 -8.032 -12.025 -0.536 76 HH12 ARG 12 2HH1 ARG 12 -9.732 -12.056 -0.924 77 HH21 ARG 12 1HH2 ARG 12 -9.318 -12.095 -4.344 78 HH22 ARG 12 2HH2 ARG 12 -10.417 -12.218 -2.996 79 H ASP 13 H ASP 13 -5.225 -15.982 0.507 80 HA ASP 13 HA ASP 13 -8.056 -15.779 1.005 81 HB3 ASP 13 1HB ASP 13 -5.946 -17.680 2.101 82 H GLU 14 H GLU 14 -5.219 -15.154 3.029 83 HA GLU 14 HA GLU 14 -6.751 -14.921 5.523 84 HB3 GLU 14 1HB GLU 14 -4.477 -14.108 6.358 85 HG3 GLU 14 1HG GLU 14 -3.442 -16.365 6.259 86 H LEU 15 H LEU 15 -5.310 -12.869 3.024 87 HA LEU 15 HA LEU 15 -5.835 -10.291 4.157 88 HB3 LEU 15 1HB LEU 15 -5.827 -11.073 1.219 89 HG LEU 15 HG LEU 15 -6.094 -8.571 2.022 90 HD11 LEU 15 1HD1 LEU 15 -3.075 -8.924 2.278 91 HD12 LEU 15 2HD1 LEU 15 -4.174 -8.717 3.670 92 HD13 LEU 15 3HD1 LEU 15 -3.996 -7.418 2.477 93 HD21 LEU 15 3HD2 LEU 15 -4.005 -9.525 0.030 94 HD22 LEU 15 1HD2 LEU 15 -4.567 -7.848 0.171 95 HD23 LEU 15 2HD2 LEU 15 -5.708 -9.123 -0.295 96 H ASP 16 H ASP 16 -7.819 -12.543 2.274 97 HA ASP 16 HA ASP 16 -9.972 -10.884 1.545 98 HB3 ASP 16 1HB ASP 16 -10.276 -13.794 2.403 99 H ARG 17 H ARG 17 -9.115 -12.123 4.641 100 HA ARG 17 HA ARG 17 -11.733 -12.022 5.887 101 HB3 ARG 17 1HB ARG 17 -10.591 -12.659 7.885 102 HG3 ARG 17 1HG ARG 17 -9.317 -14.658 7.249 103 HD3 ARG 17 1HD ARG 17 -11.661 -14.125 5.367 104 HE ARG 17 HE ARG 17 -9.903 -15.879 4.567 105 HH11 ARG 17 1HH1 ARG 17 -12.770 -16.666 6.491 106 HH12 ARG 17 2HH1 ARG 17 -12.974 -18.207 5.715 107 HH21 ARG 17 1HH2 ARG 17 -10.280 -17.845 3.542 108 HH22 ARG 17 2HH2 ARG 17 -11.569 -18.872 4.109 109 H LEU 18 H LEU 18 -9.324 -9.655 5.161 110 HA LEU 18 HA LEU 18 -9.928 -7.914 7.407 111 HB3 LEU 18 1HB LEU 18 -7.820 -7.892 6.025 112 HG LEU 18 HG LEU 18 -8.934 -7.365 3.730 113 HD11 LEU 18 1HD1 LEU 18 -9.005 -4.883 3.247 114 HD12 LEU 18 2HD1 LEU 18 -9.021 -4.604 5.006 115 HD13 LEU 18 3HD1 LEU 18 -10.356 -5.468 4.194 116 HD21 LEU 18 3HD2 LEU 18 -6.503 -7.345 4.172 117 HD22 LEU 18 1HD2 LEU 18 -6.620 -5.680 4.775 118 HD23 LEU 18 2HD2 LEU 18 -6.953 -6.043 3.073 119 H ALA 19 H ALA 19 -10.967 -5.764 7.247 120 HA ALA 19 HA ALA 19 -13.164 -5.603 5.230 121 HB1 ALA 19 3HB ALA 19 -14.021 -6.841 7.191 122 HB2 ALA 19 1HB ALA 19 -13.559 -5.486 8.250 123 HB3 ALA 19 2HB ALA 19 -14.820 -5.268 7.022 124 H GLY 20 H GLY 20 -11.270 -3.814 7.674 125 HA2 GLY 20 1HA GLY 20 -12.531 -1.278 6.997 126 HA3 GLY 20 2HA GLY 20 -11.092 -1.506 8.020 127 HA PRO 21 HA PRO 21 -10.022 0.234 3.714 128 HB3 PRO 21 1HB PRO 21 -10.895 2.320 3.978 129 HG3 PRO 21 1HG PRO 21 -11.236 3.265 6.144 130 HD3 PRO 21 1HD PRO 21 -12.291 1.143 6.194 131 H THR 22 H THR 22 -8.225 -0.905 3.383 132 HA THR 22 HA THR 22 -5.782 -0.415 5.079 133 HB THR 22 HB THR 22 -6.691 -3.089 3.932 134 HG1 THR 22 HG1 THR 22 -7.912 -2.410 5.717 135 HG21 THR 22 3HG2 THR 22 -4.833 -3.970 5.350 136 HG22 THR 22 1HG2 THR 22 -4.344 -2.303 5.724 137 HG23 THR 22 2HG2 THR 22 -4.241 -2.923 4.061 138 H LEU 23 H LEU 23 -4.231 0.473 3.903 139 HA LEU 23 HA LEU 23 -4.127 0.044 0.981 140 HB3 LEU 23 1HB LEU 23 -2.413 1.723 2.848 141 HG LEU 23 HG LEU 23 -1.186 1.347 0.777 142 HD11 LEU 23 1HD1 LEU 23 -2.428 2.280 -1.390 143 HD12 LEU 23 2HD1 LEU 23 -3.866 1.829 -0.463 144 HD13 LEU 23 3HD1 LEU 23 -2.622 0.618 -0.838 145 HD21 LEU 23 3HD2 LEU 23 -2.523 4.057 0.738 146 HD22 LEU 23 1HD2 LEU 23 -0.979 3.626 -0.046 147 HD23 LEU 23 2HD2 LEU 23 -1.112 3.580 1.716 148 H VAL 24 H VAL 24 -2.886 -1.525 0.100 149 HA VAL 24 HA VAL 24 -0.750 -2.804 1.768 150 HB VAL 24 HB VAL 24 -2.153 -3.929 -0.702 151 HG11 VAL 24 1HG1 VAL 24 -1.103 -6.074 0.019 152 HG12 VAL 24 2HG1 VAL 24 0.127 -4.855 -0.331 153 HG13 VAL 24 3HG1 VAL 24 -0.288 -5.222 1.349 154 HG21 VAL 24 3HG2 VAL 24 -3.797 -3.819 1.110 155 HG22 VAL 24 1HG2 VAL 24 -3.269 -5.494 0.881 156 HG23 VAL 24 2HG2 VAL 24 -2.646 -4.542 2.256 157 H GLU 25 H GLU 25 1.200 -2.190 1.352 158 HA GLU 25 HA GLU 25 1.939 -0.944 -1.251 159 HB3 GLU 25 1HB GLU 25 3.046 -0.650 1.558 160 HG3 GLU 25 1HG GLU 25 3.634 1.023 -0.921 161 H PHE 26 H PHE 26 3.413 -1.821 -2.504 162 HA PHE 26 HA PHE 26 4.984 -4.163 -1.560 163 HB3 PHE 26 1HB PHE 26 5.067 -4.804 -3.903 164 HD1 PHE 26 HD2 PHE 26 3.804 -6.521 -2.511 165 HD2 PHE 26 HD1 PHE 26 1.854 -3.114 -4.289 166 HE1 PHE 26 HE2 PHE 26 1.571 -7.541 -2.053 167 HE2 PHE 26 HE1 PHE 26 -0.359 -4.169 -3.851 168 HZ PHE 26 HZ PHE 26 -0.498 -6.323 -2.686 169 H GLY 27 H GLY 27 7.143 -4.046 -1.498 170 HA2 GLY 27 1HA GLY 27 8.973 -2.714 -3.052 171 HA3 GLY 27 2HA GLY 27 8.480 -1.492 -1.893 172 H THR 28 H THR 28 10.567 -1.451 -0.933 173 HA THR 28 HA THR 28 10.954 -3.415 1.222 174 HB THR 28 HB THR 28 13.365 -3.600 0.858 175 HG1 THR 28 HG1 THR 28 14.167 -2.901 -1.201 176 HG21 THR 28 3HG2 THR 28 13.420 -5.125 -1.023 177 HG22 THR 28 1HG2 THR 28 11.893 -4.473 -1.649 178 HG23 THR 28 2HG2 THR 28 11.925 -5.346 -0.107 179 H ASP 29 H ASP 29 12.928 -2.522 2.609 180 HA ASP 29 HA ASP 29 12.186 0.217 3.378 181 HB3 ASP 29 1HB ASP 29 14.214 -1.753 4.515 182 H TRP 30 H TRP 30 14.321 -1.115 1.147 183 HA TRP 30 HA TRP 30 16.425 0.973 1.540 184 HB3 TRP 30 1HB TRP 30 17.211 -1.055 2.435 185 HD1 TRP 30 HD TRP 30 15.898 -3.229 2.849 186 HE1 TRP 30 HE1 TRP 30 15.515 -5.395 1.532 187 HE3 TRP 30 HE3 TRP 30 17.594 -1.691 -1.737 188 HZ2 TRP 30 HZ2 TRP 30 15.770 -6.297 -1.193 189 HZ3 TRP 30 HZ3 TRP 30 17.499 -3.209 -3.671 190 HH2 TRP 30 HH TRP 30 16.585 -5.523 -3.426 191 H CYS 31 H CYS 31 14.266 -0.273 -0.922 192 HA CYS 31 HA CYS 31 15.991 0.311 -3.162 193 HB2 CYS 31 1HB CYS 31 14.029 -1.144 -3.390 194 HB3 CYS 31 2HB CYS 31 12.969 0.210 -2.983 195 H GLY 32 H GLY 32 16.135 2.113 -4.432 196 HA2 GLY 32 1HA GLY 32 15.863 4.741 -3.262 197 HA3 GLY 32 2HA GLY 32 16.309 4.374 -4.934 198 H HIS 33 H HIS 33 13.652 2.803 -5.272 199 HA HIS 33 HA HIS 33 11.849 5.000 -5.917 200 HB2 HIS 33 1HB HIS 33 11.226 2.051 -5.403 201 HB3 HIS 33 2HB HIS 33 10.187 3.248 -6.160 202 HD1 HIS 33 HD1 HIS 33 12.529 0.590 -7.054 203 HD2 HIS 33 HD2 HIS 33 11.170 4.214 -8.660 204 HE1 HIS 33 HE1 HIS 33 12.680 0.339 -9.598 205 H CYS 34 H CYS 34 12.043 2.612 -3.248 206 HA CYS 34 HA CYS 34 9.795 3.587 -1.767 207 HB3 CYS 34 1HB CYS 34 11.187 2.401 0.147 208 HG CYS 34 HG CYS 34 10.100 0.248 -0.253 209 H GLN 35 H GLN 35 13.233 4.590 -1.685 210 HA GLN 35 HA GLN 35 12.914 6.093 0.730 211 HB3 GLN 35 1HB GLN 35 14.984 7.232 0.159 212 HG3 GLN 35 1HG GLN 35 16.508 5.492 -0.102 213 HE21 GLN 35 2HE2 GLN 35 14.399 2.853 -0.031 214 HE22 GLN 35 1HE2 GLN 35 14.387 2.680 1.735 215 H ALA 36 H ALA 36 11.964 6.794 -2.500 216 HA ALA 36 HA ALA 36 11.377 9.660 -1.993 217 HB1 ALA 36 3HB ALA 36 12.339 8.953 -4.178 218 HB2 ALA 36 1HB ALA 36 10.942 7.885 -4.449 219 HB3 ALA 36 2HB ALA 36 10.713 9.644 -4.374 220 H ALA 37 H ALA 37 9.596 6.558 -2.434 221 HA ALA 37 HA ALA 37 7.008 7.928 -2.334 222 HB1 ALA 37 3HB ALA 37 7.676 4.954 -2.347 223 HB2 ALA 37 1HB ALA 37 6.081 5.697 -2.629 224 HB3 ALA 37 2HB ALA 37 7.409 5.975 -3.773 225 H GLN 38 H GLN 38 9.027 6.226 0.025 226 HA GLN 38 HA GLN 38 7.004 5.743 1.990 227 HB3 GLN 38 1HB GLN 38 9.063 5.906 3.587 228 HG3 GLN 38 1HG GLN 38 10.089 3.776 2.647 229 HE21 GLN 38 2HE2 GLN 38 6.716 3.265 1.660 230 HE22 GLN 38 1HE2 GLN 38 6.241 2.511 3.117 231 HA PRO 39 HA PRO 39 7.832 10.001 4.001 232 HB3 PRO 39 1HB PRO 39 9.947 10.852 3.635 233 HG3 PRO 39 1HG PRO 39 11.050 10.561 1.545 234 HD3 PRO 39 1HD PRO 39 10.447 8.406 2.336 235 H LEU 40 H LEU 40 6.985 9.433 0.652 236 HA LEU 40 HA LEU 40 5.175 11.687 0.345 237 HB3 LEU 40 1HB LEU 40 4.558 9.163 -1.131 238 HG LEU 40 HG LEU 40 4.485 10.348 -3.046 239 HD11 LEU 40 1HD1 LEU 40 2.787 11.119 -1.224 240 HD12 LEU 40 2HD1 LEU 40 2.966 12.046 -2.706 241 HD13 LEU 40 3HD1 LEU 40 3.727 12.627 -1.202 242 HD21 LEU 40 3HD2 LEU 40 6.679 11.356 -3.018 243 HD22 LEU 40 1HD2 LEU 40 6.182 12.534 -1.780 244 HD23 LEU 40 2HD2 LEU 40 5.470 12.593 -3.419 245 H LEU 41 H LEU 41 4.724 8.185 0.970 246 HA LEU 41 HA LEU 41 1.959 8.298 1.599 247 HB3 LEU 41 1HB LEU 41 2.667 6.158 3.034 248 HG LEU 41 HG LEU 41 2.463 4.680 1.261 249 HD11 LEU 41 1HD1 LEU 41 0.541 5.382 0.018 250 HD12 LEU 41 2HD1 LEU 41 0.881 7.093 0.299 251 HD13 LEU 41 3HD1 LEU 41 0.436 6.044 1.651 252 HD21 LEU 41 3HD2 LEU 41 3.445 6.862 -0.579 253 HD22 LEU 41 1HD2 LEU 41 2.754 5.316 -1.131 254 HD23 LEU 41 2HD2 LEU 41 4.237 5.347 -0.173 255 H ALA 42 H ALA 42 4.820 8.615 3.687 256 HA ALA 42 HA ALA 42 3.501 8.814 6.187 257 HB1 ALA 42 3HB ALA 42 5.972 8.613 5.828 258 HB2 ALA 42 1HB ALA 42 6.002 10.293 5.255 259 HB3 ALA 42 2HB ALA 42 5.551 9.940 6.934 260 H GLU 43 H GLU 43 4.015 11.373 3.723 261 HA GLU 43 HA GLU 43 2.994 13.522 5.408 262 HB3 GLU 43 1HB GLU 43 2.800 14.697 3.111 263 HG3 GLU 43 1HG GLU 43 5.372 14.659 2.809 264 H VAL 44 H VAL 44 1.534 11.551 2.747 265 HA VAL 44 HA VAL 44 -1.020 12.851 2.969 266 HB VAL 44 HB VAL 44 -0.589 11.878 0.934 267 HG11 VAL 44 1HG1 VAL 44 -0.349 9.106 2.115 268 HG12 VAL 44 2HG1 VAL 44 -0.266 9.616 0.408 269 HG13 VAL 44 3HG1 VAL 44 0.971 10.133 1.511 270 HG21 VAL 44 3HG2 VAL 44 -2.593 9.989 2.235 271 HG22 VAL 44 1HG2 VAL 44 -2.963 11.648 1.747 272 HG23 VAL 44 2HG2 VAL 44 -2.507 10.454 0.517 273 H PHE 45 H PHE 45 0.108 9.707 4.314 274 HA PHE 45 HA PHE 45 -2.293 8.898 5.565 275 HB3 PHE 45 1HB PHE 45 -0.422 7.892 7.290 276 HD1 PHE 45 HD1 PHE 45 -2.624 6.579 6.958 277 HD2 PHE 45 HD2 PHE 45 0.699 6.450 4.199 278 HE1 PHE 45 HE1 PHE 45 -3.302 4.332 6.171 279 HE2 PHE 45 HE2 PHE 45 0.044 4.198 3.508 280 HZ PHE 45 HZ PHE 45 -1.999 3.142 4.462 281 H SER 46 H SER 46 -0.031 11.375 6.658 282 HA SER 46 HA SER 46 -0.790 11.416 9.422 283 HB3 SER 46 1HB SER 46 0.033 13.785 9.342 284 HG SER 46 HG SER 46 1.828 12.009 8.001 285 H ASP 47 H ASP 47 -2.645 12.446 6.624 286 HA ASP 47 HA ASP 47 -4.542 13.932 8.388 287 HB3 ASP 47 1HB ASP 47 -4.649 13.662 5.373 288 H TYR 48 H TYR 48 -4.054 10.813 7.177 289 HA TYR 48 HA TYR 48 -6.920 10.047 7.569 290 HB3 TYR 48 1HB TYR 48 -6.845 8.584 5.676 291 HD1 TYR 48 HD2 TYR 48 -8.432 10.613 5.340 292 HD2 TYR 48 HD1 TYR 48 -4.336 10.550 4.033 293 HE1 TYR 48 HE2 TYR 48 -8.900 12.499 3.790 294 HE2 TYR 48 HE1 TYR 48 -4.748 12.558 2.620 295 HH TYR 48 HH TYR 48 -6.290 14.064 1.866 296 HA PRO 49 HA PRO 49 -3.679 7.407 9.908 297 HB3 PRO 49 1HB PRO 49 -3.228 8.891 11.584 298 HG3 PRO 49 1HG PRO 49 -4.826 10.550 12.250 299 HD3 PRO 49 1HD PRO 49 -4.462 10.765 9.914 300 H GLU 50 H GLU 50 -7.206 7.709 10.056 301 HA GLU 50 HA GLU 50 -7.732 5.191 11.302 302 HB3 GLU 50 1HB GLU 50 -9.379 7.013 11.122 303 HG3 GLU 50 1HG GLU 50 -9.652 6.230 8.177 304 H VAL 51 H VAL 51 -6.381 5.798 8.211 305 HA VAL 51 HA VAL 51 -7.315 3.248 7.014 306 HB VAL 51 HB VAL 51 -5.338 5.312 5.948 307 HG11 VAL 51 1HG1 VAL 51 -4.938 3.101 4.938 308 HG12 VAL 51 2HG1 VAL 51 -6.665 2.966 4.515 309 HG13 VAL 51 3HG1 VAL 51 -5.644 4.208 3.762 310 HG21 VAL 51 3HG2 VAL 51 -7.183 5.955 4.391 311 HG22 VAL 51 1HG2 VAL 51 -8.267 4.852 5.258 312 HG23 VAL 51 2HG2 VAL 51 -7.603 6.277 6.080 313 H GLY 52 H GLY 52 -6.021 1.405 6.948 314 HA2 GLY 52 1HA GLY 52 -3.597 1.301 8.671 315 HA3 GLY 52 2HA GLY 52 -4.479 -0.072 7.951 316 H HIS 53 H HIS 53 -1.583 0.355 7.930 317 HA HIS 53 HA HIS 53 -1.236 0.322 4.963 318 HB2 HIS 53 1HB HIS 53 -0.306 2.392 6.281 319 HB3 HIS 53 2HB HIS 53 0.960 1.283 6.786 320 HD1 HIS 53 HD1 HIS 53 2.705 2.841 5.309 321 HD2 HIS 53 HD2 HIS 53 -0.380 0.964 3.162 322 HE1 HIS 53 HE1 HIS 53 3.252 3.077 2.803 323 H LEU 54 H LEU 54 -0.742 -1.713 4.354 324 HA LEU 54 HA LEU 54 0.957 -3.445 6.098 325 HB3 LEU 54 1HB LEU 54 -0.884 -4.011 3.752 326 HG LEU 54 HG LEU 54 0.971 -5.607 3.571 327 HD11 LEU 54 1HD1 LEU 54 0.368 -6.330 6.466 328 HD12 LEU 54 2HD1 LEU 54 1.873 -5.603 5.842 329 HD13 LEU 54 3HD1 LEU 54 1.429 -7.254 5.385 330 HD21 LEU 54 3HD2 LEU 54 -0.354 -7.644 3.699 331 HD22 LEU 54 1HD2 LEU 54 -1.376 -6.318 3.142 332 HD23 LEU 54 2HD2 LEU 54 -1.498 -6.875 4.830 333 H LYS 55 H LYS 55 3.080 -3.244 5.725 334 HA LYS 55 HA LYS 55 4.102 -2.437 3.040 335 HB3 LYS 55 1HB LYS 55 6.247 -2.359 4.209 336 HG3 LYS 55 1HG LYS 55 4.874 -0.317 4.105 337 HD3 LYS 55 1HD LYS 55 3.114 -0.638 5.710 338 HE3 LYS 55 1HE LYS 55 5.289 -0.784 7.868 339 HZ1 LYS 55 3HZ LYS 55 2.332 -1.024 8.049 340 HZ2 LYS 55 1HZ LYS 55 3.238 0.209 8.648 341 HZ3 LYS 55 2HZ LYS 55 3.386 -1.300 9.281 342 H VAL 56 H VAL 56 4.095 -4.143 1.715 343 HA VAL 56 HA VAL 56 4.966 -6.852 2.605 344 HB VAL 56 HB VAL 56 3.992 -5.922 -0.137 345 HG11 VAL 56 1HG1 VAL 56 3.575 -8.289 -0.583 346 HG12 VAL 56 2HG1 VAL 56 5.269 -8.068 -0.159 347 HG13 VAL 56 3HG1 VAL 56 4.142 -8.731 1.047 348 HG21 VAL 56 3HG2 VAL 56 2.345 -7.196 2.087 349 HG22 VAL 56 1HG2 VAL 56 2.204 -5.529 1.490 350 HG23 VAL 56 2HG2 VAL 56 1.806 -6.863 0.422 351 H GLU 57 H GLU 57 6.946 -7.347 2.647 352 HA GLU 57 HA GLU 57 8.940 -5.900 1.146 353 HB3 GLU 57 1HB GLU 57 9.452 -8.453 2.674 354 HG3 GLU 57 1HG GLU 57 10.923 -5.826 2.340 355 H ASP 58 H ASP 58 9.200 -6.208 -0.969 356 HA ASP 58 HA ASP 58 8.611 -8.803 -2.254 357 HB3 ASP 58 1HB ASP 58 9.479 -6.170 -3.494 358 H GLY 59 H GLY 59 10.082 -10.209 -3.000 359 HA2 GLY 59 1HA GLY 59 12.922 -9.613 -3.367 360 HA3 GLY 59 2HA GLY 59 12.569 -10.498 -1.903 361 HA PRO 60 HA PRO 60 13.212 -13.687 -5.167 362 HB3 PRO 60 1HB PRO 60 15.044 -14.468 -4.023 363 HG3 PRO 60 1HG PRO 60 15.200 -14.321 -1.642 364 HD3 PRO 60 1HD PRO 60 14.699 -12.114 -2.371 365 H GLY 61 H GLY 61 11.269 -14.021 -2.184 366 HA2 GLY 61 1HA GLY 61 9.254 -15.718 -3.603 367 HA3 GLY 61 2HA GLY 61 9.305 -15.346 -1.861 368 H ARG 62 H ARG 62 8.014 -14.403 -4.881 369 HA ARG 62 HA ARG 62 7.247 -11.681 -4.040 370 HB3 ARG 62 1HB ARG 62 6.146 -11.584 -6.264 371 HG3 ARG 62 1HG ARG 62 8.606 -10.947 -5.823 372 HD3 ARG 62 1HD ARG 62 9.621 -13.256 -6.055 373 HE ARG 62 HE ARG 62 8.819 -14.417 -7.885 374 HH11 ARG 62 1HH1 ARG 62 9.863 -11.229 -9.054 375 HH12 ARG 62 2HH1 ARG 62 9.742 -11.712 -10.715 376 HH21 ARG 62 1HH2 ARG 62 8.686 -14.957 -10.041 377 HH22 ARG 62 2HH2 ARG 62 9.105 -13.792 -11.265 378 H ARG 63 H ARG 63 6.248 -12.889 -2.139 379 HA ARG 63 HA ARG 63 4.271 -14.795 -2.386 380 HB3 ARG 63 1HB ARG 63 5.652 -14.409 -0.409 381 HG3 ARG 63 1HG ARG 63 3.727 -12.164 0.367 382 HD3 ARG 63 1HD ARG 63 5.395 -11.750 2.146 383 HE ARG 63 HE ARG 63 3.617 -13.140 2.938 384 HH11 ARG 63 1HH1 ARG 63 6.438 -15.109 2.063 385 HH12 ARG 63 2HH1 ARG 63 5.899 -16.431 3.053 386 HH21 ARG 63 1HH2 ARG 63 3.053 -14.772 4.188 387 HH22 ARG 63 2HH2 ARG 63 3.963 -16.264 4.231 388 H LEU 64 H LEU 64 3.639 -11.365 -2.571 389 HA LEU 64 HA LEU 64 0.701 -11.915 -2.714 390 HB3 LEU 64 1HB LEU 64 1.962 -9.698 -1.069 391 HG LEU 64 HG LEU 64 -0.325 -9.125 -1.729 392 HD11 LEU 64 1HD1 LEU 64 -1.054 -11.860 -0.582 393 HD12 LEU 64 2HD1 LEU 64 -1.327 -11.276 -2.242 394 HD13 LEU 64 3HD1 LEU 64 -2.228 -10.576 -0.900 395 HD21 LEU 64 3HD2 LEU 64 -1.265 -8.810 0.516 396 HD22 LEU 64 1HD2 LEU 64 0.488 -8.601 0.582 397 HD23 LEU 64 2HD2 LEU 64 -0.235 -10.109 1.161 398 H GLY 65 H GLY 65 3.304 -9.559 -3.590 399 HA2 GLY 65 1HA GLY 65 1.663 -7.904 -5.205 400 HA3 GLY 65 2HA GLY 65 3.418 -8.096 -5.377 401 H ARG 66 H ARG 66 3.062 -11.025 -5.980 402 HA ARG 66 HA ARG 66 2.557 -11.133 -8.800 403 HB3 ARG 66 1HB ARG 66 2.536 -13.245 -6.610 404 HG3 ARG 66 1HG ARG 66 2.704 -13.625 -9.635 405 HD3 ARG 66 1HD ARG 66 2.998 -15.547 -7.278 406 HE ARG 66 HE ARG 66 1.900 -16.998 -8.686 407 HH11 ARG 66 1HH1 ARG 66 4.152 -15.199 -10.741 408 HH12 ARG 66 2HH1 ARG 66 3.872 -16.239 -12.104 409 HH21 ARG 66 1HH2 ARG 66 1.551 -18.263 -10.497 410 HH22 ARG 66 2HH2 ARG 66 2.420 -17.938 -11.968 411 H SER 67 H SER 67 0.455 -11.888 -5.958 412 HA SER 67 HA SER 67 -1.807 -12.771 -7.516 413 HB3 SER 67 1HB SER 67 -2.963 -12.796 -5.406 414 HG SER 67 HG SER 67 -1.500 -14.066 -4.195 415 H PHE 68 H PHE 68 -0.716 -9.611 -6.372 416 HA PHE 68 HA PHE 68 -3.196 -8.276 -7.126 417 HB3 PHE 68 1HB PHE 68 -1.606 -6.221 -6.680 418 HD1 PHE 68 HD2 PHE 68 -3.905 -5.858 -5.876 419 HD2 PHE 68 HD1 PHE 68 -1.164 -8.466 -3.828 420 HE1 PHE 68 HE2 PHE 68 -5.359 -5.801 -3.857 421 HE2 PHE 68 HE1 PHE 68 -2.563 -8.349 -1.776 422 HZ PHE 68 HZ PHE 68 -4.676 -7.018 -1.806 423 H GLN 69 H GLN 69 -0.564 -9.422 -8.910 424 HA GLN 69 HA GLN 69 0.310 -9.027 -10.980 425 HB3 GLN 69 1HB GLN 69 -1.136 -8.369 -12.769 426 HG3 GLN 69 1HG GLN 69 -1.899 -10.501 -11.049 427 HE21 GLN 69 2HE2 GLN 69 -3.483 -9.932 -9.354 428 HE22 GLN 69 1HE2 GLN 69 -5.114 -9.497 -9.791 429 H VAL 70 H VAL 70 1.252 -7.332 -9.088 430 HA VAL 70 HA VAL 70 0.841 -4.572 -9.328 431 HB VAL 70 HB VAL 70 3.185 -6.236 -8.408 432 HG11 VAL 70 1HG1 VAL 70 3.059 -3.196 -8.405 433 HG12 VAL 70 2HG1 VAL 70 4.155 -4.127 -7.376 434 HG13 VAL 70 3HG1 VAL 70 4.320 -4.214 -9.140 435 HG21 VAL 70 3HG2 VAL 70 2.493 -5.455 -6.205 436 HG22 VAL 70 1HG2 VAL 70 1.276 -4.381 -6.923 437 HG23 VAL 70 2HG2 VAL 70 1.095 -6.134 -7.047 438 H LYS 71 H LYS 71 1.308 -3.038 -10.705 439 HA LYS 71 HA LYS 71 2.304 -3.589 -13.357 440 HB3 LYS 71 1HB LYS 71 1.871 -1.145 -13.683 441 HG3 LYS 71 1HG LYS 71 -0.463 -0.990 -13.188 442 HD3 LYS 71 1HD LYS 71 0.435 -2.543 -15.097 443 HE3 LYS 71 1HE LYS 71 -1.097 -4.514 -13.319 444 HZ1 LYS 71 3HZ LYS 71 -0.567 -6.084 -15.071 445 HZ2 LYS 71 1HZ LYS 71 0.175 -4.933 -15.965 446 HZ3 LYS 71 2HZ LYS 71 -1.431 -4.848 -15.702 447 H LEU 72 H LEU 72 3.441 -0.611 -11.963 448 HA LEU 72 HA LEU 72 6.273 -1.309 -12.413 449 HB3 LEU 72 1HB LEU 72 5.226 1.184 -11.039 450 HG LEU 72 HG LEU 72 7.775 0.710 -11.322 451 HD11 LEU 72 1HD1 LEU 72 8.723 1.230 -13.548 452 HD12 LEU 72 2HD1 LEU 72 7.089 1.311 -14.231 453 HD13 LEU 72 3HD1 LEU 72 7.725 -0.225 -13.612 454 HD21 LEU 72 3HD2 LEU 72 6.891 2.948 -10.828 455 HD22 LEU 72 1HD2 LEU 72 6.532 3.205 -12.561 456 HD23 LEU 72 2HD2 LEU 72 8.216 3.067 -12.000 457 H TRP 73 H TRP 73 7.773 -1.356 -10.627 458 HA TRP 73 HA TRP 73 6.875 -3.088 -8.587 459 HB3 TRP 73 1HB TRP 73 9.368 -1.452 -8.654 460 HD1 TRP 73 HD TRP 73 8.918 -5.243 -8.262 461 HE1 TRP 73 HE1 TRP 73 10.005 -5.979 -6.062 462 HE3 TRP 73 HE3 TRP 73 10.005 -0.623 -6.360 463 HZ2 TRP 73 HZ2 TRP 73 11.427 -4.714 -3.870 464 HZ3 TRP 73 HZ3 TRP 73 11.181 -0.419 -4.191 465 HH2 TRP 73 HH TRP 73 11.970 -2.435 -2.982 466 HA PRO 74 HA PRO 74 6.818 0.332 -5.344 467 HB3 PRO 74 1HB PRO 74 8.453 1.920 -5.703 468 HG3 PRO 74 1HG PRO 74 8.791 2.868 -7.896 469 HD3 PRO 74 1HD PRO 74 8.972 0.585 -8.297 470 H THR 75 H THR 75 4.704 -0.395 -5.332 471 HA THR 75 HA THR 75 2.542 1.386 -6.356 472 HB THR 75 HB THR 75 2.943 -1.576 -6.915 473 HG1 THR 75 HG1 THR 75 3.584 -0.616 -8.677 474 HG21 THR 75 3HG2 THR 75 0.591 -1.451 -6.292 475 HG22 THR 75 1HG2 THR 75 0.702 -1.527 -8.048 476 HG23 THR 75 2HG2 THR 75 0.376 0.034 -7.260 477 H PHE 76 H PHE 76 0.726 1.374 -5.178 478 HA PHE 76 HA PHE 76 0.496 -0.531 -2.947 479 HB3 PHE 76 1HB PHE 76 1.304 1.136 -1.582 480 HD1 PHE 76 HD2 PHE 76 2.989 2.282 -2.983 481 HD2 PHE 76 HD1 PHE 76 -1.074 3.671 -2.531 482 HE1 PHE 76 HE2 PHE 76 3.649 4.485 -3.904 483 HE2 PHE 76 HE1 PHE 76 -0.383 5.890 -3.356 484 HZ PHE 76 HZ PHE 76 1.943 6.262 -4.141 485 H VAL 77 H VAL 77 -1.409 -1.337 -2.686 486 HA VAL 77 HA VAL 77 -3.633 -0.490 -4.489 487 HB VAL 77 HB VAL 77 -3.068 -3.224 -3.323 488 HG11 VAL 77 1HG1 VAL 77 -5.081 -2.278 -5.414 489 HG12 VAL 77 2HG1 VAL 77 -4.787 -3.952 -5.016 490 HG13 VAL 77 3HG1 VAL 77 -5.483 -2.845 -3.809 491 HG21 VAL 77 3HG2 VAL 77 -2.643 -2.211 -6.170 492 HG22 VAL 77 1HG2 VAL 77 -1.351 -2.576 -5.040 493 HG23 VAL 77 2HG2 VAL 77 -2.405 -3.874 -5.611 494 H PHE 78 H PHE 78 -5.438 0.264 -3.596 495 HA PHE 78 HA PHE 78 -5.688 0.359 -0.632 496 HB3 PHE 78 1HB PHE 78 -7.588 1.886 -1.122 497 HD1 PHE 78 HD2 PHE 78 -4.935 2.403 -3.738 498 HD2 PHE 78 HD1 PHE 78 -6.439 3.605 0.128 499 HE1 PHE 78 HE2 PHE 78 -3.228 4.169 -3.618 500 HE2 PHE 78 HE1 PHE 78 -4.761 5.454 0.164 501 HZ PHE 78 HZ PHE 78 -3.178 5.725 -1.737 502 H LEU 79 H LEU 79 -6.806 -1.169 0.401 503 HA LEU 79 HA LEU 79 -8.961 -2.670 -1.021 504 HB3 LEU 79 1HB LEU 79 -8.631 -4.287 0.968 505 HG LEU 79 HG LEU 79 -8.023 -4.896 -1.317 506 HD11 LEU 79 1HD1 LEU 79 -5.366 -3.627 -0.610 507 HD12 LEU 79 2HD1 LEU 79 -6.463 -3.264 -1.968 508 HD13 LEU 79 3HD1 LEU 79 -5.577 -4.790 -1.932 509 HD21 LEU 79 3HD2 LEU 79 -6.010 -5.823 0.757 510 HD22 LEU 79 1HD2 LEU 79 -6.561 -6.714 -0.677 511 HD23 LEU 79 2HD2 LEU 79 -7.680 -6.405 0.652 512 H ARG 80 H ARG 80 -10.758 -3.206 0.062 513 HA ARG 80 HA ARG 80 -11.471 -2.363 2.730 514 HB3 ARG 80 1HB ARG 80 -13.184 -1.101 0.569 515 HG3 ARG 80 1HG ARG 80 -12.604 -0.346 3.466 516 HD3 ARG 80 1HD ARG 80 -13.173 1.553 1.891 517 HE ARG 80 HE ARG 80 -14.860 1.066 0.406 518 HH11 ARG 80 1HH1 ARG 80 -16.024 0.014 3.581 519 HH12 ARG 80 2HH1 ARG 80 -17.630 -0.305 2.988 520 HH21 ARG 80 1HH2 ARG 80 -16.943 0.653 -0.283 521 HH22 ARG 80 2HH2 ARG 80 -18.139 0.059 0.825 522 H ASP 81 H ASP 81 -13.158 -3.567 3.469 523 HA ASP 81 HA ASP 81 -14.605 -5.329 3.620 524 HB3 ASP 81 1HB ASP 81 -15.418 -4.791 0.742 525 H GLY 82 H GLY 82 -11.859 -5.819 2.563 526 HA2 GLY 82 1HA GLY 82 -10.633 -7.762 2.178 527 HA3 GLY 82 2HA GLY 82 -12.131 -8.636 1.803 528 H ARG 83 H ARG 83 -12.286 -5.958 -0.158 529 HA ARG 83 HA ARG 83 -11.017 -7.334 -2.460 530 HB3 ARG 83 1HB ARG 83 -13.200 -5.256 -2.674 531 HG3 ARG 83 1HG ARG 83 -12.973 -7.888 -4.152 532 HD3 ARG 83 1HD ARG 83 -14.989 -6.345 -4.432 533 HE ARG 83 HE ARG 83 -12.867 -4.467 -5.134 534 HH11 ARG 83 1HH2 ARG 83 -16.270 -5.117 -5.890 535 HH12 ARG 83 2HH2 ARG 83 -16.537 -3.466 -6.368 536 HH21 ARG 83 1HH1 ARG 83 -13.242 -2.484 -5.745 537 HH22 ARG 83 2HH1 ARG 83 -14.816 -1.958 -6.307 538 H GLU 84 H GLU 84 -10.082 -5.930 -4.054 539 HA GLU 84 HA GLU 84 -8.792 -3.436 -3.191 540 HB3 GLU 84 1HB GLU 84 -9.051 -4.862 -5.856 541 HG3 GLU 84 1HG GLU 84 -7.575 -2.281 -5.277 542 H VAL 85 H VAL 85 -9.571 -1.444 -3.251 543 HA VAL 85 HA VAL 85 -12.107 -0.854 -4.747 544 HB VAL 85 HB VAL 85 -12.188 1.226 -3.369 545 HG11 VAL 85 1HG1 VAL 85 -13.559 -0.765 -2.908 546 HG12 VAL 85 2HG1 VAL 85 -12.288 -1.394 -1.836 547 HG13 VAL 85 3HG1 VAL 85 -13.148 0.114 -1.426 548 HG21 VAL 85 3HG2 VAL 85 -9.757 1.214 -2.595 549 HG22 VAL 85 1HG2 VAL 85 -10.964 1.441 -1.299 550 HG23 VAL 85 2HG2 VAL 85 -10.185 -0.135 -1.524 551 H ALA 86 H ALA 86 -8.719 -0.196 -4.645 552 HA ALA 86 HA ALA 86 -8.600 1.183 -7.163 553 HB1 ALA 86 3HB ALA 86 -9.468 3.097 -5.878 554 HB2 ALA 86 1HB ALA 86 -8.253 2.796 -4.603 555 HB3 ALA 86 2HB ALA 86 -7.760 3.367 -6.203 556 H ARG 87 H ARG 87 -6.306 2.151 -7.414 557 HA ARG 87 HA ARG 87 -4.355 1.444 -5.413 558 HB3 ARG 87 1HB ARG 87 -4.439 -0.661 -6.593 559 HG3 ARG 87 1HG ARG 87 -3.505 0.903 -9.038 560 HD3 ARG 87 1HD ARG 87 -2.271 -1.197 -8.391 561 HE ARG 87 HE ARG 87 -4.890 -2.354 -8.332 562 HH11 ARG 87 1HH1 ARG 87 -1.675 -3.190 -9.617 563 HH12 ARG 87 2HH1 ARG 87 -2.010 -4.902 -9.510 564 HH21 ARG 87 1HH2 ARG 87 -5.164 -4.553 -8.141 565 HH22 ARG 87 2HH2 ARG 87 -3.885 -5.639 -8.691 566 H VAL 88 H VAL 88 -2.330 2.443 -5.732 567 HA VAL 88 HA VAL 88 -2.197 4.542 -7.901 568 HB VAL 88 HB VAL 88 -1.353 4.682 -5.025 569 HG11 VAL 88 1HG1 VAL 88 0.478 5.732 -6.361 570 HG12 VAL 88 2HG1 VAL 88 -0.713 6.671 -7.273 571 HG13 VAL 88 3HG1 VAL 88 -0.446 7.003 -5.552 572 HG21 VAL 88 3HG2 VAL 88 -3.133 6.628 -6.492 573 HG22 VAL 88 1HG2 VAL 88 -3.727 5.291 -5.499 574 HG23 VAL 88 2HG2 VAL 88 -2.763 6.567 -4.744 575 H VAL 89 H VAL 89 -0.562 4.262 -9.200 576 HA VAL 89 HA VAL 89 1.796 2.549 -8.465 577 HB VAL 89 HB VAL 89 0.583 3.140 -11.200 578 HG11 VAL 89 1HG1 VAL 89 3.013 2.878 -11.404 579 HG12 VAL 89 2HG1 VAL 89 2.942 1.350 -10.502 580 HG13 VAL 89 3HG1 VAL 89 2.181 1.501 -12.111 581 HG21 VAL 89 3HG2 VAL 89 -0.818 1.527 -9.961 582 HG22 VAL 89 1HG2 VAL 89 -0.006 0.764 -11.323 583 HG23 VAL 89 2HG2 VAL 89 0.604 0.501 -9.683 584 H ARG 90 H ARG 90 3.712 3.610 -8.414 585 HA ARG 90 HA ARG 90 5.285 5.227 -8.519 586 HB3 ARG 90 1HB ARG 90 4.135 5.898 -11.235 587 HG3 ARG 90 1HG ARG 90 7.015 5.750 -10.236 588 HD3 ARG 90 1HD ARG 90 5.821 7.005 -12.736 589 HE ARG 90 HE ARG 90 8.312 7.429 -11.595 590 HH11 ARG 90 1HH1 ARG 90 7.255 6.091 -14.703 591 HH12 ARG 90 2HH1 ARG 90 8.757 6.477 -15.479 592 HH21 ARG 90 1HH2 ARG 90 10.231 7.906 -12.688 593 HH22 ARG 90 2HH2 ARG 90 10.399 7.516 -14.372 594 HA PRO 91 HA PRO 91 2.375 8.668 -7.135 595 HB3 PRO 91 1HB PRO 91 2.545 8.159 -4.962 596 HG3 PRO 91 1HG PRO 91 4.390 6.889 -4.130 597 HD3 PRO 91 1HD PRO 91 3.710 5.658 -6.034 598 H GLY 92 H GLY 92 2.593 10.554 -8.204 599 HA2 GLY 92 1HA GLY 92 5.237 11.610 -8.999 600 HA3 GLY 92 2HA GLY 92 3.631 12.190 -9.517 601 H SER 93 H SER 93 2.778 12.406 -6.614 602 HA SER 93 HA SER 93 4.355 14.449 -5.318 603 HB3 SER 93 1HB SER 93 3.415 15.723 -7.277 604 HG SER 93 HG SER 93 1.038 16.091 -7.027 605 H ALA 94 H ALA 94 3.234 15.249 -3.337 606 HA ALA 94 HA ALA 94 1.392 13.438 -2.072 607 HB1 ALA 94 3HB ALA 94 1.970 16.374 -1.457 608 HB2 ALA 94 1HB ALA 94 1.203 15.184 -0.377 609 HB3 ALA 94 2HB ALA 94 2.902 14.990 -0.842 610 H SER 95 H SER 95 0.793 16.317 -4.189 611 HA SER 95 HA SER 95 -2.022 16.387 -3.616 612 HB3 SER 95 1HB SER 95 -1.052 18.283 -4.624 613 HG SER 95 HG SER 95 -0.266 18.223 -6.797 614 H VAL 96 H VAL 96 -0.182 14.385 -5.942 615 HA VAL 96 HA VAL 96 -2.573 13.140 -7.073 616 HB VAL 96 HB VAL 96 0.388 12.460 -7.153 617 HG11 VAL 96 1HG1 VAL 96 -1.843 10.880 -8.482 618 HG12 VAL 96 2HG1 VAL 96 -0.116 10.750 -8.887 619 HG13 VAL 96 3HG1 VAL 96 -0.676 10.273 -7.286 620 HG21 VAL 96 3HG2 VAL 96 -0.454 14.399 -8.512 621 HG22 VAL 96 1HG2 VAL 96 0.181 13.075 -9.503 622 HG23 VAL 96 2HG2 VAL 96 -1.582 13.300 -9.328 623 H LEU 97 H LEU 97 -0.254 12.169 -4.470 624 HA LEU 97 HA LEU 97 -1.573 9.636 -4.009 625 HB3 LEU 97 1HB LEU 97 -0.131 10.727 -1.696 626 HG LEU 97 HG LEU 97 0.535 8.504 -3.731 627 HD11 LEU 97 1HD1 LEU 97 1.719 8.997 -0.969 628 HD12 LEU 97 2HD1 LEU 97 2.527 9.204 -2.549 629 HD13 LEU 97 3HD1 LEU 97 2.018 7.602 -2.043 630 HD21 LEU 97 3HD2 LEU 97 -0.257 7.118 -1.618 631 HD22 LEU 97 1HD2 LEU 97 -1.463 7.813 -2.715 632 HD23 LEU 97 2HD2 LEU 97 -1.094 8.612 -1.191 633 H GLU 98 H GLU 98 -1.783 12.742 -2.216 634 HA GLU 98 HA GLU 98 -3.808 12.019 -0.386 635 HB3 GLU 98 1HB GLU 98 -4.379 14.457 -0.382 636 HG3 GLU 98 1HG GLU 98 -1.386 13.913 -0.182 637 H GLU 99 H GLU 99 -4.207 13.246 -3.758 638 HA GLU 99 HA GLU 99 -7.020 13.476 -3.800 639 HB3 GLU 99 1HB GLU 99 -4.989 12.772 -5.955 640 HG3 GLU 99 1HG GLU 99 -7.962 13.194 -6.221 641 H ALA 100 H ALA 100 -5.002 10.564 -4.227 642 HA ALA 100 HA ALA 100 -7.331 8.857 -4.775 643 HB1 ALA 100 3HB ALA 100 -5.085 8.351 -5.650 644 HB2 ALA 100 1HB ALA 100 -4.462 8.166 -3.997 645 HB3 ALA 100 2HB ALA 100 -5.699 7.045 -4.617 646 H PHE 101 H PHE 101 -5.318 9.612 -1.871 647 HA PHE 101 HA PHE 101 -6.492 7.683 -0.155 648 HB3 PHE 101 1HB PHE 101 -5.877 9.703 1.526 649 HD1 PHE 101 HD1 PHE 101 -3.375 8.095 -0.894 650 HD2 PHE 101 HD2 PHE 101 -5.093 8.169 3.084 651 HE1 PHE 101 HE1 PHE 101 -1.689 6.505 -0.100 652 HE2 PHE 101 HE2 PHE 101 -3.393 6.550 3.831 653 HZ PHE 101 HZ PHE 101 -1.642 5.752 2.211 654 H GLU 102 H GLU 102 -7.423 11.128 -0.590 655 HA GLU 102 HA GLU 102 -9.685 11.049 1.148 656 HB3 GLU 102 1HB GLU 102 -8.829 13.143 0.539 657 HG3 GLU 102 1HG GLU 102 -8.667 12.248 -2.151 658 H SER 103 H SER 103 -9.384 10.086 -2.271 659 HA SER 103 HA SER 103 -12.204 9.824 -2.740 660 HB3 SER 103 1HB SER 103 -9.938 8.348 -4.135 661 HG SER 103 HG SER 103 -11.423 8.493 -5.905 662 H LEU 104 H LEU 104 -9.781 7.630 -1.363 663 HA LEU 104 HA LEU 104 -11.746 5.379 -1.305 664 HB3 LEU 104 1HB LEU 104 -9.783 4.093 -0.402 665 HG LEU 104 HG LEU 104 -8.875 3.516 -2.399 666 HD11 LEU 104 1HD1 LEU 104 -10.587 3.474 -4.060 667 HD12 LEU 104 2HD1 LEU 104 -11.302 4.986 -3.492 668 HD13 LEU 104 3HD1 LEU 104 -11.418 3.500 -2.514 669 HD21 LEU 104 3HD2 LEU 104 -7.720 5.651 -2.876 670 HD22 LEU 104 1HD2 LEU 104 -9.262 6.307 -3.514 671 HD23 LEU 104 2HD2 LEU 104 -8.467 4.979 -4.323 672 H VAL 105 H VAL 105 -10.279 7.652 0.914 673 HA VAL 105 HA VAL 105 -11.323 6.349 3.273 674 HB VAL 105 HB VAL 105 -9.452 8.260 2.917 675 HG11 VAL 105 1HG1 VAL 105 -10.110 10.407 3.742 676 HG12 VAL 105 2HG1 VAL 105 -11.144 10.031 2.372 677 HG13 VAL 105 3HG1 VAL 105 -11.762 9.878 4.023 678 HG21 VAL 105 3HG2 VAL 105 -9.817 6.854 4.893 679 HG22 VAL 105 1HG2 VAL 105 -9.381 8.516 5.293 680 HG23 VAL 105 2HG2 VAL 105 -11.076 7.979 5.456 681 H GLY 106 H GLY 106 -12.699 8.454 0.876 682 HA2 GLY 106 1HA GLY 106 -14.981 8.653 0.461 683 HA3 GLY 106 2HA GLY 106 -15.368 8.365 2.177 684 H GLU 107 H GLU 107 -12.924 10.631 2.097 685 HA GLU 107 HA GLU 107 -14.696 12.855 2.756 686 HB3 GLU 107 1HB GLU 107 -12.386 14.028 3.020 687 HG3 GLU 107 1HG GLU 107 -11.812 12.792 5.098 688 H GLY 108 H GLY 108 -13.613 11.733 -0.211 689 HA2 GLY 108 1HA GLY 108 -12.930 14.119 -1.594 690 HA3 GLY 108 2HA GLY 108 -13.435 12.590 -2.320 Start of MODEL 16 1 H1 MET 1 H MET 1 5.886 3.755 12.706 2 HA MET 1 HA MET 1 5.633 1.500 11.644 3 HB3 MET 1 1HB MET 1 3.169 1.264 11.963 4 HG3 MET 1 1HG MET 1 2.994 2.028 14.276 5 HE1 MET 1 3HE MET 1 4.567 -1.532 14.395 6 HE2 MET 1 1HE MET 1 3.085 -0.553 14.500 7 HE3 MET 1 2HE MET 1 3.914 -0.754 12.933 8 H LYS 2 H LYS 2 5.006 4.142 9.610 9 HA LYS 2 HA LYS 2 3.811 2.513 7.411 10 HB3 LYS 2 1HB LYS 2 3.976 4.923 6.311 11 HG3 LYS 2 1HG LYS 2 1.836 3.880 6.778 12 HD3 LYS 2 1HD LYS 2 2.110 4.972 9.617 13 HE3 LYS 2 1HE LYS 2 -0.249 3.683 8.142 14 HZ1 LYS 2 3HZ LYS 2 -0.077 4.690 10.938 15 HZ2 LYS 2 1HZ LYS 2 -0.182 3.113 10.525 16 HZ3 LYS 2 2HZ LYS 2 -1.428 4.116 10.210 17 H THR 3 H THR 3 6.931 3.338 8.466 18 HA THR 3 HA THR 3 8.129 3.796 5.831 19 HB THR 3 HB THR 3 10.219 4.043 7.231 20 HG1 THR 3 HG1 THR 3 9.767 4.213 9.516 21 HG21 THR 3 3HG2 THR 3 8.748 5.986 6.691 22 HG22 THR 3 1HG2 THR 3 9.538 6.154 8.265 23 HG23 THR 3 2HG2 THR 3 7.829 5.694 8.182 24 H ARG 4 H ARG 4 7.921 1.026 7.962 25 HA ARG 4 HA ARG 4 10.107 -0.369 6.458 26 HB3 ARG 4 1HB ARG 4 10.426 -1.566 8.710 27 HG3 ARG 4 1HG ARG 4 11.085 1.359 8.200 28 HD3 ARG 4 1HD ARG 4 12.723 1.138 10.091 29 HE ARG 4 HE ARG 4 10.130 2.039 10.195 30 HH11 ARG 4 1HH1 ARG 4 12.257 0.614 12.623 31 HH12 ARG 4 2HH1 ARG 4 11.430 1.390 13.946 32 HH21 ARG 4 1HH2 ARG 4 9.099 3.004 11.918 33 HH22 ARG 4 2HH2 ARG 4 9.685 2.758 13.537 34 H TYR 5 H TYR 5 10.053 -2.606 6.282 35 HA TYR 5 HA TYR 5 7.340 -3.480 5.548 36 HB3 TYR 5 1HB TYR 5 8.706 -5.008 4.015 37 HD1 TYR 5 HD1 TYR 5 7.022 -3.938 2.710 38 HD2 TYR 5 HD2 TYR 5 10.494 -1.780 3.954 39 HE1 TYR 5 HE1 TYR 5 6.337 -2.037 1.246 40 HE2 TYR 5 HE2 TYR 5 9.941 0.058 2.360 41 HH TYR 5 HH TYR 5 6.966 0.062 0.400 42 H SER 6 H SER 6 6.732 -5.727 5.409 43 HA SER 6 HA SER 6 8.128 -7.536 7.317 44 HB3 SER 6 1HB SER 6 5.912 -8.528 7.878 45 HG SER 6 HG SER 6 5.941 -5.709 8.354 46 H ALA 7 H ALA 7 8.529 -9.567 6.583 47 HA ALA 7 HA ALA 7 7.854 -10.268 3.776 48 HB1 ALA 7 3HB ALA 7 9.416 -12.171 4.255 49 HB2 ALA 7 1HB ALA 7 10.168 -10.591 4.583 50 HB3 ALA 7 2HB ALA 7 9.580 -11.602 5.924 51 H GLU 8 H GLU 8 6.867 -10.952 6.991 52 HA GLU 8 HA GLU 8 5.678 -13.515 6.635 53 HB3 GLU 8 1HB GLU 8 5.016 -13.319 8.912 54 HG3 GLU 8 1HG GLU 8 7.627 -13.097 8.243 55 H ALA 9 H ALA 9 4.579 -11.637 4.740 56 HA ALA 9 HA ALA 9 1.957 -10.712 5.443 57 HB1 ALA 9 3HB ALA 9 1.700 -10.468 2.955 58 HB2 ALA 9 1HB ALA 9 3.234 -9.794 3.560 59 HB3 ALA 9 2HB ALA 9 3.202 -11.375 2.735 60 HA PRO 10 HA PRO 10 -0.553 -14.422 4.784 61 HB3 PRO 10 1HB PRO 10 -2.331 -13.085 5.548 62 HG3 PRO 10 1HG PRO 10 -2.632 -10.834 4.694 63 HD3 PRO 10 1HD PRO 10 -0.541 -10.991 5.767 64 H ALA 11 H ALA 11 -1.788 -15.552 3.026 65 HA ALA 11 HA ALA 11 -0.788 -15.077 0.287 66 HB1 ALA 11 3HB ALA 11 -2.813 -17.067 1.414 67 HB2 ALA 11 1HB ALA 11 -2.156 -17.066 -0.238 68 HB3 ALA 11 2HB ALA 11 -1.087 -17.391 1.136 69 H ARG 12 H ARG 12 -2.181 -14.427 -1.442 70 HA ARG 12 HA ARG 12 -3.873 -12.265 -0.758 71 HB3 ARG 12 1HB ARG 12 -4.041 -13.360 -3.544 72 HG3 ARG 12 1HG ARG 12 -2.925 -10.999 -3.903 73 HD3 ARG 12 1HD ARG 12 -4.990 -9.698 -3.703 74 HE ARG 12 HE ARG 12 -4.825 -11.069 -5.675 75 HH11 ARG 12 1HH1 ARG 12 -6.943 -12.538 -3.217 76 HH12 ARG 12 2HH1 ARG 12 -7.769 -13.501 -4.400 77 HH21 ARG 12 1HH2 ARG 12 -5.873 -12.366 -7.100 78 HH22 ARG 12 2HH2 ARG 12 -7.161 -13.422 -6.584 79 H ASP 13 H ASP 13 -4.746 -15.592 -1.064 80 HA ASP 13 HA ASP 13 -7.641 -15.091 -1.350 81 HB3 ASP 13 1HB ASP 13 -7.775 -17.559 -1.028 82 H GLU 14 H GLU 14 -5.335 -15.346 1.288 83 HA GLU 14 HA GLU 14 -7.439 -15.702 3.356 84 HB3 GLU 14 1HB GLU 14 -5.419 -15.556 4.871 85 HG3 GLU 14 1HG GLU 14 -4.565 -17.798 4.271 86 H LEU 15 H LEU 15 -5.320 -13.242 1.951 87 HA LEU 15 HA LEU 15 -5.865 -10.984 3.588 88 HB3 LEU 15 1HB LEU 15 -5.539 -11.219 0.561 89 HG LEU 15 HG LEU 15 -5.950 -8.868 1.678 90 HD11 LEU 15 1HD1 LEU 15 -2.968 -9.240 2.228 91 HD12 LEU 15 2HD1 LEU 15 -4.221 -9.199 3.507 92 HD13 LEU 15 3HD1 LEU 15 -3.916 -7.776 2.483 93 HD21 LEU 15 3HD2 LEU 15 -4.219 -7.911 0.119 94 HD22 LEU 15 1HD2 LEU 15 -5.301 -9.108 -0.630 95 HD23 LEU 15 2HD2 LEU 15 -3.644 -9.558 -0.169 96 H ASP 16 H ASP 16 -7.713 -12.481 0.956 97 HA ASP 16 HA ASP 16 -9.742 -10.553 0.556 98 HB3 ASP 16 1HB ASP 16 -9.763 -13.580 0.271 99 H ARG 17 H ARG 17 -9.258 -12.644 3.280 100 HA ARG 17 HA ARG 17 -12.033 -12.737 4.198 101 HB3 ARG 17 1HB ARG 17 -11.124 -13.766 6.193 102 HG3 ARG 17 1HG ARG 17 -9.820 -15.658 5.343 103 HD3 ARG 17 1HD ARG 17 -11.970 -14.898 3.319 104 HE ARG 17 HE ARG 17 -10.286 -17.144 3.398 105 HH11 ARG 17 1HH1 ARG 17 -13.786 -16.603 3.361 106 HH12 ARG 17 2HH1 ARG 17 -14.105 -18.142 2.618 107 HH21 ARG 17 1HH2 ARG 17 -10.760 -19.102 2.466 108 HH22 ARG 17 2HH2 ARG 17 -12.403 -19.544 2.106 109 H LEU 18 H LEU 18 -9.481 -10.353 4.337 110 HA LEU 18 HA LEU 18 -10.375 -9.152 6.838 111 HB3 LEU 18 1HB LEU 18 -8.101 -8.924 5.878 112 HG LEU 18 HG LEU 18 -8.837 -7.872 3.569 113 HD11 LEU 18 1HD1 LEU 18 -8.893 -5.401 5.351 114 HD12 LEU 18 2HD1 LEU 18 -10.179 -5.979 4.265 115 HD13 LEU 18 3HD1 LEU 18 -8.679 -5.376 3.587 116 HD21 LEU 18 3HD2 LEU 18 -6.616 -6.685 5.289 117 HD22 LEU 18 1HD2 LEU 18 -6.670 -6.637 3.520 118 HD23 LEU 18 2HD2 LEU 18 -6.506 -8.194 4.360 119 H ALA 19 H ALA 19 -11.212 -6.837 6.985 120 HA ALA 19 HA ALA 19 -13.318 -6.292 4.907 121 HB1 ALA 19 3HB ALA 19 -14.933 -5.979 6.732 122 HB2 ALA 19 1HB ALA 19 -14.254 -7.618 6.767 123 HB3 ALA 19 2HB ALA 19 -13.680 -6.411 7.937 124 H GLY 20 H GLY 20 -10.975 -4.821 7.071 125 HA2 GLY 20 1HA GLY 20 -12.355 -2.248 7.148 126 HA3 GLY 20 2HA GLY 20 -10.762 -2.626 7.840 127 HA PRO 21 HA PRO 21 -10.212 -0.098 3.870 128 HB3 PRO 21 1HB PRO 21 -11.209 1.860 4.540 129 HG3 PRO 21 1HG PRO 21 -11.492 2.389 6.836 130 HD3 PRO 21 1HD PRO 21 -12.396 0.239 6.648 131 H THR 22 H THR 22 -8.397 -1.140 3.358 132 HA THR 22 HA THR 22 -5.949 -0.883 5.089 133 HB THR 22 HB THR 22 -6.921 -3.428 3.709 134 HG1 THR 22 HG1 THR 22 -8.183 -2.938 5.480 135 HG21 THR 22 3HG2 THR 22 -4.609 -2.846 5.622 136 HG22 THR 22 1HG2 THR 22 -4.476 -3.323 3.912 137 HG23 THR 22 2HG2 THR 22 -5.120 -4.462 5.093 138 H LEU 23 H LEU 23 -4.479 0.155 3.953 139 HA LEU 23 HA LEU 23 -4.321 -0.163 1.024 140 HB3 LEU 23 1HB LEU 23 -2.565 1.391 2.970 141 HG LEU 23 HG LEU 23 -1.371 1.048 0.867 142 HD11 LEU 23 1HD1 LEU 23 -2.580 2.096 -1.263 143 HD12 LEU 23 2HD1 LEU 23 -4.031 1.692 -0.350 144 HD13 LEU 23 3HD1 LEU 23 -2.846 0.428 -0.755 145 HD21 LEU 23 3HD2 LEU 23 -1.189 3.237 1.873 146 HD22 LEU 23 1HD2 LEU 23 -2.622 3.798 0.954 147 HD23 LEU 23 2HD2 LEU 23 -1.116 3.357 0.105 148 H VAL 24 H VAL 24 -3.128 -1.708 0.122 149 HA VAL 24 HA VAL 24 -1.069 -3.127 1.756 150 HB VAL 24 HB VAL 24 -2.561 -4.138 -0.710 151 HG11 VAL 24 1HG1 VAL 24 -0.325 -5.191 -0.384 152 HG12 VAL 24 2HG1 VAL 24 -0.752 -5.605 1.279 153 HG13 VAL 24 3HG1 VAL 24 -1.621 -6.346 -0.070 154 HG21 VAL 24 3HG2 VAL 24 -4.154 -3.957 1.131 155 HG22 VAL 24 1HG2 VAL 24 -3.776 -5.651 0.825 156 HG23 VAL 24 2HG2 VAL 24 -3.036 -4.827 2.217 157 H GLU 25 H GLU 25 0.907 -2.570 1.345 158 HA GLU 25 HA GLU 25 1.676 -1.430 -1.298 159 HB3 GLU 25 1HB GLU 25 2.824 -1.067 1.485 160 HG3 GLU 25 1HG GLU 25 3.576 0.364 -1.099 161 H PHE 26 H PHE 26 3.211 -2.310 -2.483 162 HA PHE 26 HA PHE 26 4.768 -4.637 -1.441 163 HB3 PHE 26 1HB PHE 26 4.782 -5.476 -3.639 164 HD1 PHE 26 HD1 PHE 26 2.864 -6.582 -2.149 165 HD2 PHE 26 HD2 PHE 26 2.235 -3.365 -4.941 166 HE1 PHE 26 HE1 PHE 26 0.404 -6.971 -2.063 167 HE2 PHE 26 HE2 PHE 26 -0.195 -3.778 -4.874 168 HZ PHE 26 HZ PHE 26 -1.127 -5.521 -3.366 169 H GLY 27 H GLY 27 6.917 -4.396 -1.193 170 HA2 GLY 27 1HA GLY 27 8.707 -2.946 -2.836 171 HA3 GLY 27 2HA GLY 27 8.219 -1.876 -1.546 172 H THR 28 H THR 28 10.574 -1.974 -1.095 173 HA THR 28 HA THR 28 11.043 -3.777 1.166 174 HB THR 28 HB THR 28 13.397 -4.203 0.538 175 HG1 THR 28 HG1 THR 28 13.917 -3.940 -1.698 176 HG21 THR 28 3HG2 THR 28 11.457 -5.412 -1.480 177 HG22 THR 28 1HG2 THR 28 11.755 -5.978 0.179 178 HG23 THR 28 2HG2 THR 28 13.046 -6.030 -1.033 179 H ASP 29 H ASP 29 13.134 -3.013 2.324 180 HA ASP 29 HA ASP 29 12.741 -0.145 2.785 181 HB3 ASP 29 1HB ASP 29 12.801 -1.700 4.697 182 H TRP 30 H TRP 30 14.584 -1.837 0.649 183 HA TRP 30 HA TRP 30 16.977 -0.063 0.823 184 HB3 TRP 30 1HB TRP 30 17.557 -2.178 1.626 185 HD1 TRP 30 HD TRP 30 16.158 -4.270 2.153 186 HE1 TRP 30 HE1 TRP 30 15.323 -6.315 0.847 187 HE3 TRP 30 HE3 TRP 30 17.343 -2.723 -2.576 188 HZ2 TRP 30 HZ2 TRP 30 15.020 -7.079 -1.936 189 HZ3 TRP 30 HZ3 TRP 30 16.764 -4.108 -4.530 190 HH2 TRP 30 HH TRP 30 15.553 -6.269 -4.236 191 H CYS 31 H CYS 31 14.472 -1.059 -1.424 192 HA CYS 31 HA CYS 31 16.073 -0.552 -3.803 193 HB2 CYS 31 1HB CYS 31 14.146 -2.023 -3.886 194 HB3 CYS 31 2HB CYS 31 13.067 -0.724 -3.365 195 H GLY 32 H GLY 32 16.334 1.325 -4.938 196 HA2 GLY 32 1HA GLY 32 15.989 3.914 -3.751 197 HA3 GLY 32 2HA GLY 32 16.439 3.590 -5.423 198 H HIS 33 H HIS 33 13.916 2.061 -5.938 199 HA HIS 33 HA HIS 33 12.170 4.285 -6.613 200 HB2 HIS 33 1HB HIS 33 12.624 1.600 -7.484 201 HB3 HIS 33 2HB HIS 33 11.038 1.569 -6.793 202 HD1 HIS 33 HD1 HIS 33 10.640 0.955 -9.550 203 HD2 HIS 33 HD2 HIS 33 11.560 4.901 -8.477 204 HE1 HIS 33 HE1 HIS 33 9.886 2.402 -11.487 205 H CYS 34 H CYS 34 12.313 1.847 -4.059 206 HA CYS 34 HA CYS 34 9.776 2.596 -2.780 207 HB3 CYS 34 1HB CYS 34 11.097 1.374 -0.832 208 HG CYS 34 HG CYS 34 10.380 -0.006 -3.799 209 H GLN 35 H GLN 35 13.181 3.613 -2.337 210 HA GLN 35 HA GLN 35 12.795 4.973 0.103 211 HB3 GLN 35 1HB GLN 35 14.769 6.352 -0.460 212 HG3 GLN 35 1HG GLN 35 16.468 4.778 -0.956 213 HE21 GLN 35 2HE2 GLN 35 14.782 1.943 -0.583 214 HE22 GLN 35 1HE2 GLN 35 14.963 1.815 1.169 215 H ALA 36 H ALA 36 11.833 5.913 -3.066 216 HA ALA 36 HA ALA 36 11.316 8.741 -2.496 217 HB1 ALA 36 3HB ALA 36 10.595 6.908 -4.845 218 HB2 ALA 36 1HB ALA 36 10.443 8.682 -4.824 219 HB3 ALA 36 2HB ALA 36 12.047 7.923 -4.731 220 H ALA 37 H ALA 37 9.450 5.719 -2.616 221 HA ALA 37 HA ALA 37 6.875 7.098 -2.264 222 HB1 ALA 37 3HB ALA 37 7.071 5.195 -3.773 223 HB2 ALA 37 1HB ALA 37 7.586 4.150 -2.431 224 HB3 ALA 37 2HB ALA 37 5.939 4.860 -2.447 225 H GLN 38 H GLN 38 9.153 5.289 -0.246 226 HA GLN 38 HA GLN 38 7.484 4.691 1.949 227 HB3 GLN 38 1HB GLN 38 9.747 4.951 3.251 228 HG3 GLN 38 1HG GLN 38 9.377 3.001 0.928 229 HE21 GLN 38 2HE2 GLN 38 10.801 2.187 4.097 230 HE22 GLN 38 1HE2 GLN 38 12.426 1.981 3.450 231 HA PRO 39 HA PRO 39 8.226 8.855 4.120 232 HB3 PRO 39 1HB PRO 39 10.339 9.706 3.683 233 HG3 PRO 39 1HG PRO 39 11.254 9.685 1.477 234 HD3 PRO 39 1HD PRO 39 10.733 7.470 1.985 235 H LEU 40 H LEU 40 7.184 8.551 0.817 236 HA LEU 40 HA LEU 40 5.498 10.920 0.665 237 HB3 LEU 40 1HB LEU 40 4.698 8.514 -0.897 238 HG LEU 40 HG LEU 40 4.725 9.779 -2.771 239 HD11 LEU 40 1HD1 LEU 40 3.374 11.587 -2.412 240 HD12 LEU 40 2HD1 LEU 40 4.189 12.089 -0.902 241 HD13 LEU 40 3HD1 LEU 40 3.112 10.673 -0.926 242 HD21 LEU 40 3HD2 LEU 40 6.990 10.568 -2.757 243 HD22 LEU 40 1HD2 LEU 40 6.605 11.777 -1.503 244 HD23 LEU 40 2HD2 LEU 40 5.893 11.903 -3.136 245 H LEU 41 H LEU 41 4.869 7.437 1.194 246 HA LEU 41 HA LEU 41 2.118 7.707 1.877 247 HB3 LEU 41 1HB LEU 41 2.667 5.451 3.180 248 HG LEU 41 HG LEU 41 2.442 4.090 1.296 249 HD11 LEU 41 1HD1 LEU 41 0.554 4.968 0.103 250 HD12 LEU 41 2HD1 LEU 41 0.920 6.617 0.612 251 HD13 LEU 41 3HD1 LEU 41 0.451 5.401 1.809 252 HD21 LEU 41 3HD2 LEU 41 2.762 4.886 -1.023 253 HD22 LEU 41 1HD2 LEU 41 4.242 4.815 -0.064 254 HD23 LEU 41 2HD2 LEU 41 3.501 6.372 -0.385 255 H ALA 42 H ALA 42 5.026 7.705 3.908 256 HA ALA 42 HA ALA 42 3.767 7.897 6.446 257 HB1 ALA 42 3HB ALA 42 5.942 8.787 7.182 258 HB2 ALA 42 1HB ALA 42 6.169 7.420 6.073 259 HB3 ALA 42 2HB ALA 42 6.406 9.085 5.491 260 H GLU 43 H GLU 43 4.458 10.503 4.101 261 HA GLU 43 HA GLU 43 3.587 12.652 5.850 262 HB3 GLU 43 1HB GLU 43 3.426 13.923 3.620 263 HG3 GLU 43 1HG GLU 43 5.976 13.742 3.242 264 H VAL 44 H VAL 44 1.925 10.950 3.089 265 HA VAL 44 HA VAL 44 -0.514 12.395 3.476 266 HB VAL 44 HB VAL 44 -0.210 11.479 1.391 267 HG11 VAL 44 1HG1 VAL 44 -0.129 9.183 0.786 268 HG12 VAL 44 2HG1 VAL 44 1.198 9.586 1.830 269 HG13 VAL 44 3HG1 VAL 44 -0.167 8.647 2.480 270 HG21 VAL 44 3HG2 VAL 44 -2.349 9.731 2.670 271 HG22 VAL 44 1HG2 VAL 44 -2.582 11.434 2.244 272 HG23 VAL 44 2HG2 VAL 44 -2.256 10.238 0.967 273 H PHE 45 H PHE 45 0.369 9.131 4.657 274 HA PHE 45 HA PHE 45 -2.049 8.444 5.911 275 HB3 PHE 45 1HB PHE 45 -0.166 7.309 7.581 276 HD1 PHE 45 HD1 PHE 45 -2.457 6.146 7.275 277 HD2 PHE 45 HD2 PHE 45 0.785 5.889 4.432 278 HE1 PHE 45 HE1 PHE 45 -3.249 3.929 6.508 279 HE2 PHE 45 HE2 PHE 45 -0.026 3.695 3.701 280 HZ PHE 45 HZ PHE 45 -2.079 2.721 4.707 281 H SER 46 H SER 46 0.342 10.750 7.096 282 HA SER 46 HA SER 46 -0.398 10.730 9.868 283 HB3 SER 46 1HB SER 46 0.589 13.035 9.866 284 HG SER 46 HG SER 46 2.225 11.199 8.429 285 H ASP 47 H ASP 47 -2.169 11.975 7.104 286 HA ASP 47 HA ASP 47 -4.006 13.465 8.911 287 HB3 ASP 47 1HB ASP 47 -4.097 13.329 5.879 288 H TYR 48 H TYR 48 -3.686 10.352 7.664 289 HA TYR 48 HA TYR 48 -6.615 9.793 7.897 290 HB3 TYR 48 1HB TYR 48 -6.533 8.307 6.018 291 HD1 TYR 48 HD2 TYR 48 -8.089 10.318 5.690 292 HD2 TYR 48 HD1 TYR 48 -3.955 10.288 4.486 293 HE1 TYR 48 HE2 TYR 48 -8.512 12.250 4.184 294 HE2 TYR 48 HE1 TYR 48 -4.318 12.344 3.136 295 HH TYR 48 HH TYR 48 -7.525 13.883 2.832 296 HA PRO 49 HA PRO 49 -3.772 6.989 10.464 297 HB3 PRO 49 1HB PRO 49 -3.483 8.456 12.202 298 HG3 PRO 49 1HG PRO 49 -5.120 10.135 12.694 299 HD3 PRO 49 1HD PRO 49 -4.524 10.347 10.421 300 H GLU 50 H GLU 50 -7.264 7.285 10.104 301 HA GLU 50 HA GLU 50 -7.909 4.762 11.405 302 HB3 GLU 50 1HB GLU 50 -9.545 6.526 11.299 303 HG3 GLU 50 1HG GLU 50 -10.866 6.476 9.039 304 H VAL 51 H VAL 51 -6.408 5.453 8.391 305 HA VAL 51 HA VAL 51 -7.313 2.944 7.076 306 HB VAL 51 HB VAL 51 -5.210 4.960 6.187 307 HG11 VAL 51 1HG1 VAL 51 -6.536 2.644 4.692 308 HG12 VAL 51 2HG1 VAL 51 -5.475 3.860 3.962 309 HG13 VAL 51 3HG1 VAL 51 -4.823 2.739 5.149 310 HG21 VAL 51 3HG2 VAL 51 -8.103 4.588 5.291 311 HG22 VAL 51 1HG2 VAL 51 -7.441 5.974 6.192 312 HG23 VAL 51 2HG2 VAL 51 -6.916 5.674 4.528 313 H GLY 52 H GLY 52 -6.098 1.084 7.028 314 HA2 GLY 52 1HA GLY 52 -3.688 0.849 8.789 315 HA3 GLY 52 2HA GLY 52 -4.646 -0.471 8.103 316 H HIS 53 H HIS 53 -1.698 -0.079 7.984 317 HA HIS 53 HA HIS 53 -1.442 -0.152 5.007 318 HB2 HIS 53 1HB HIS 53 -0.352 1.866 6.313 319 HB3 HIS 53 2HB HIS 53 0.859 0.692 6.764 320 HD1 HIS 53 HD1 HIS 53 2.614 2.209 5.216 321 HD2 HIS 53 HD2 HIS 53 -0.608 0.424 3.181 322 HE1 HIS 53 HE1 HIS 53 3.074 2.419 2.707 323 H LEU 54 H LEU 54 -1.094 -2.226 4.411 324 HA LEU 54 HA LEU 54 0.638 -4.006 6.065 325 HB3 LEU 54 1HB LEU 54 -1.113 -4.517 3.631 326 HG LEU 54 HG LEU 54 0.725 -6.104 3.527 327 HD11 LEU 54 1HD1 LEU 54 0.052 -6.792 6.416 328 HD12 LEU 54 2HD1 LEU 54 1.578 -6.115 5.811 329 HD13 LEU 54 3HD1 LEU 54 1.112 -7.750 5.355 330 HD21 LEU 54 3HD2 LEU 54 -1.757 -7.423 4.707 331 HD22 LEU 54 1HD2 LEU 54 -0.565 -8.170 3.619 332 HD23 LEU 54 2HD2 LEU 54 -1.609 -6.860 3.032 333 H LYS 55 H LYS 55 2.737 -3.616 5.733 334 HA LYS 55 HA LYS 55 3.761 -2.829 3.048 335 HB3 LYS 55 1HB LYS 55 5.900 -2.644 4.212 336 HG3 LYS 55 1HG LYS 55 4.443 -0.651 4.062 337 HD3 LYS 55 1HD LYS 55 2.751 -0.991 5.666 338 HE3 LYS 55 1HE LYS 55 4.984 -1.405 7.709 339 HZ1 LYS 55 3HZ LYS 55 3.101 -1.805 9.249 340 HZ2 LYS 55 1HZ LYS 55 2.026 -1.304 8.111 341 HZ3 LYS 55 2HZ LYS 55 3.145 -0.254 8.747 342 H VAL 56 H VAL 56 3.907 -4.576 1.738 343 HA VAL 56 HA VAL 56 4.922 -7.177 2.808 344 HB VAL 56 HB VAL 56 3.973 -6.476 -0.001 345 HG11 VAL 56 1HG1 VAL 56 3.828 -8.920 -0.323 346 HG12 VAL 56 2HG1 VAL 56 5.474 -8.447 0.054 347 HG13 VAL 56 3HG1 VAL 56 4.472 -9.183 1.312 348 HG21 VAL 56 3HG2 VAL 56 2.474 -7.773 2.304 349 HG22 VAL 56 1HG2 VAL 56 2.087 -6.237 1.505 350 HG23 VAL 56 2HG2 VAL 56 1.934 -7.749 0.606 351 H GLU 57 H GLU 57 6.886 -7.629 2.857 352 HA GLU 57 HA GLU 57 8.960 -6.197 1.448 353 HB3 GLU 57 1HB GLU 57 9.393 -8.813 2.911 354 HG3 GLU 57 1HG GLU 57 10.773 -6.114 2.821 355 H ASP 58 H ASP 58 8.033 -6.497 -0.644 356 HA ASP 58 HA ASP 58 7.131 -8.987 -1.589 357 HB3 ASP 58 1HB ASP 58 7.630 -6.447 -3.196 358 H GLY 59 H GLY 59 10.247 -7.743 -1.758 359 HA2 GLY 59 1HA GLY 59 11.193 -9.161 -4.166 360 HA3 GLY 59 2HA GLY 59 12.198 -8.315 -2.966 361 HA PRO 60 HA PRO 60 13.175 -12.220 -1.277 362 HB3 PRO 60 1HB PRO 60 14.718 -10.918 -0.109 363 HG3 PRO 60 1HG PRO 60 14.007 -9.030 1.205 364 HD3 PRO 60 1HD PRO 60 13.284 -8.584 -0.980 365 H GLY 61 H GLY 61 10.315 -10.815 0.256 366 HA2 GLY 61 1HA GLY 61 9.811 -13.068 2.063 367 HA3 GLY 61 2HA GLY 61 8.776 -11.653 1.760 368 H ARG 62 H ARG 62 7.016 -13.212 1.884 369 HA ARG 62 HA ARG 62 6.660 -15.423 0.185 370 HB3 ARG 62 1HB ARG 62 4.466 -13.572 1.233 371 HG3 ARG 62 1HG ARG 62 4.480 -16.590 0.694 372 HD3 ARG 62 1HD ARG 62 2.034 -16.452 1.038 373 HE ARG 62 HE ARG 62 2.685 -15.169 3.522 374 HH11 ARG 62 1HH1 ARG 62 3.369 -18.204 1.816 375 HH12 ARG 62 2HH1 ARG 62 3.695 -19.053 3.294 376 HH21 ARG 62 1HH2 ARG 62 3.139 -16.283 5.338 377 HH22 ARG 62 2HH2 ARG 62 3.582 -17.967 5.279 378 H ARG 63 H ARG 63 6.041 -12.037 -0.467 379 HA ARG 63 HA ARG 63 5.752 -10.807 -2.326 380 HB3 ARG 63 1HB ARG 63 5.770 -13.317 -4.038 381 HG3 ARG 63 1HG ARG 63 6.299 -10.395 -4.628 382 HD3 ARG 63 1HD ARG 63 6.779 -11.139 -6.946 383 HE ARG 63 HE ARG 63 8.577 -11.132 -4.861 384 HH11 ARG 63 1HH1 ARG 63 8.438 -12.812 -7.980 385 HH12 ARG 63 2HH1 ARG 63 10.151 -13.114 -7.987 386 HH21 ARG 63 1HH2 ARG 63 10.746 -11.674 -4.875 387 HH22 ARG 63 2HH2 ARG 63 11.442 -12.414 -6.285 388 H LEU 64 H LEU 64 3.954 -9.828 -3.002 389 HA LEU 64 HA LEU 64 1.336 -11.306 -3.109 390 HB3 LEU 64 1HB LEU 64 1.750 -8.727 -1.593 391 HG LEU 64 HG LEU 64 -0.598 -9.431 -2.110 392 HD11 LEU 64 1HD1 LEU 64 -1.510 -11.415 -0.807 393 HD12 LEU 64 2HD1 LEU 64 0.170 -11.914 -0.533 394 HD13 LEU 64 3HD1 LEU 64 -0.491 -11.841 -2.181 395 HD21 LEU 64 3HD2 LEU 64 0.233 -9.621 0.821 396 HD22 LEU 64 1HD2 LEU 64 -1.416 -9.313 0.255 397 HD23 LEU 64 2HD2 LEU 64 -0.147 -8.131 -0.067 398 H GLY 65 H GLY 65 3.254 -8.478 -4.173 399 HA2 GLY 65 1HA GLY 65 1.263 -7.232 -5.768 400 HA3 GLY 65 2HA GLY 65 3.016 -7.160 -6.048 401 H ARG 66 H ARG 66 3.121 -10.104 -6.373 402 HA ARG 66 HA ARG 66 2.640 -10.712 -9.102 403 HB3 ARG 66 1HB ARG 66 2.806 -12.360 -6.553 404 HG3 ARG 66 1HG ARG 66 2.947 -13.422 -9.406 405 HD3 ARG 66 1HD ARG 66 4.557 -14.543 -7.928 406 HE ARG 66 HE ARG 66 2.234 -14.768 -6.062 407 HH11 ARG 66 1HH1 ARG 66 5.577 -15.777 -6.621 408 HH12 ARG 66 2HH1 ARG 66 5.897 -15.960 -4.925 409 HH21 ARG 66 1HH2 ARG 66 2.759 -14.940 -3.883 410 HH22 ARG 66 2HH2 ARG 66 4.358 -15.413 -3.408 411 H SER 67 H SER 67 0.587 -11.499 -6.248 412 HA SER 67 HA SER 67 -1.574 -12.536 -7.932 413 HB3 SER 67 1HB SER 67 -2.525 -13.220 -5.789 414 HG SER 67 HG SER 67 -0.825 -14.550 -5.116 415 H PHE 68 H PHE 68 -0.792 -9.461 -6.749 416 HA PHE 68 HA PHE 68 -3.527 -8.407 -7.227 417 HB3 PHE 68 1HB PHE 68 -2.120 -6.197 -6.864 418 HD1 PHE 68 HD2 PHE 68 -4.311 -5.923 -5.863 419 HD2 PHE 68 HD1 PHE 68 -1.274 -8.347 -4.035 420 HE1 PHE 68 HE2 PHE 68 -5.536 -5.823 -3.706 421 HE2 PHE 68 HE1 PHE 68 -2.481 -8.281 -1.866 422 HZ PHE 68 HZ PHE 68 -4.637 -6.954 -1.727 423 H GLN 69 H GLN 69 -0.945 -9.427 -9.134 424 HA GLN 69 HA GLN 69 -0.214 -8.994 -11.238 425 HB3 GLN 69 1HB GLN 69 -1.978 -8.502 -12.880 426 HG3 GLN 69 1HG GLN 69 -1.645 -10.806 -11.932 427 HE21 GLN 69 2HE2 GLN 69 -4.415 -9.158 -10.241 428 HE22 GLN 69 1HE2 GLN 69 -4.478 -10.422 -9.008 429 H VAL 70 H VAL 70 0.696 -7.165 -9.564 430 HA VAL 70 HA VAL 70 0.191 -4.424 -10.121 431 HB VAL 70 HB VAL 70 2.486 -5.932 -8.859 432 HG11 VAL 70 1HG1 VAL 70 3.634 -4.010 -9.738 433 HG12 VAL 70 2HG1 VAL 70 2.337 -2.920 -9.205 434 HG13 VAL 70 3HG1 VAL 70 3.373 -3.746 -8.016 435 HG21 VAL 70 3HG2 VAL 70 0.276 -5.731 -7.673 436 HG22 VAL 70 1HG2 VAL 70 1.609 -4.947 -6.826 437 HG23 VAL 70 2HG2 VAL 70 0.425 -3.969 -7.747 438 H LYS 71 H LYS 71 1.054 -2.921 -11.457 439 HA LYS 71 HA LYS 71 2.080 -3.959 -13.987 440 HB3 LYS 71 1HB LYS 71 1.528 -1.788 -14.855 441 HG3 LYS 71 1HG LYS 71 -0.757 -1.459 -14.322 442 HD3 LYS 71 1HD LYS 71 -0.163 -4.411 -13.859 443 HE3 LYS 71 1HE LYS 71 -2.740 -3.164 -14.856 444 HZ1 LYS 71 3HZ LYS 71 -3.600 -5.309 -14.082 445 HZ2 LYS 71 1HZ LYS 71 -2.115 -5.741 -13.526 446 HZ3 LYS 71 2HZ LYS 71 -2.377 -5.581 -15.143 447 H LEU 72 H LEU 72 3.268 -1.609 -11.607 448 HA LEU 72 HA LEU 72 5.992 -1.565 -12.829 449 HB3 LEU 72 1HB LEU 72 4.815 0.201 -10.646 450 HG LEU 72 HG LEU 72 7.377 0.286 -10.914 451 HD11 LEU 72 1HD1 LEU 72 8.246 1.473 -12.906 452 HD12 LEU 72 2HD1 LEU 72 6.643 1.378 -13.653 453 HD13 LEU 72 3HD1 LEU 72 7.558 -0.104 -13.317 454 HD21 LEU 72 3HD2 LEU 72 5.842 2.785 -11.702 455 HD22 LEU 72 1HD2 LEU 72 7.442 2.723 -10.929 456 HD23 LEU 72 2HD2 LEU 72 6.006 2.192 -10.035 457 H TRP 73 H TRP 73 6.158 -0.794 -9.623 458 HA TRP 73 HA TRP 73 5.878 -3.373 -8.404 459 HB3 TRP 73 1HB TRP 73 8.697 -2.285 -8.483 460 HD1 TRP 73 HD TRP 73 7.016 -5.714 -7.779 461 HE1 TRP 73 HE1 TRP 73 7.924 -6.641 -5.575 462 HE3 TRP 73 HE3 TRP 73 10.049 -1.815 -6.510 463 HZ2 TRP 73 HZ2 TRP 73 10.074 -5.932 -3.697 464 HZ3 TRP 73 HZ3 TRP 73 11.472 -1.935 -4.489 465 HH2 TRP 73 HH TRP 73 11.561 -3.992 -3.139 466 HA PRO 74 HA PRO 74 6.578 -0.185 -4.988 467 HB3 PRO 74 1HB PRO 74 8.394 1.212 -5.293 468 HG3 PRO 74 1HG PRO 74 8.884 2.141 -7.432 469 HD3 PRO 74 1HD PRO 74 8.886 -0.224 -7.645 470 H THR 75 H THR 75 4.424 -0.563 -4.899 471 HA THR 75 HA THR 75 2.390 1.175 -6.190 472 HB THR 75 HB THR 75 2.761 -1.804 -6.718 473 HG1 THR 75 HG1 THR 75 3.697 0.260 -7.910 474 HG21 THR 75 3HG2 THR 75 0.375 -1.473 -6.526 475 HG22 THR 75 1HG2 THR 75 0.750 -1.481 -8.256 476 HG23 THR 75 2HG2 THR 75 0.451 0.056 -7.435 477 H PHE 76 H PHE 76 0.498 1.148 -5.057 478 HA PHE 76 HA PHE 76 0.191 -0.812 -2.879 479 HB3 PHE 76 1HB PHE 76 1.134 0.774 -1.526 480 HD1 PHE 76 HD1 PHE 76 2.839 1.873 -2.953 481 HD2 PHE 76 HD2 PHE 76 -1.126 3.464 -2.321 482 HE1 PHE 76 HE1 PHE 76 3.588 4.064 -3.835 483 HE2 PHE 76 HE2 PHE 76 -0.345 5.658 -3.075 484 HZ PHE 76 HZ PHE 76 1.975 5.960 -3.914 485 H VAL 77 H VAL 77 -1.692 -1.585 -2.704 486 HA VAL 77 HA VAL 77 -3.918 -0.565 -4.405 487 HB VAL 77 HB VAL 77 -3.404 -3.352 -3.311 488 HG11 VAL 77 1HG1 VAL 77 -5.623 -2.216 -5.074 489 HG12 VAL 77 2HG1 VAL 77 -5.301 -3.939 -4.931 490 HG13 VAL 77 3HG1 VAL 77 -5.808 -3.023 -3.503 491 HG21 VAL 77 3HG2 VAL 77 -1.895 -2.512 -5.240 492 HG22 VAL 77 1HG2 VAL 77 -2.829 -3.982 -5.564 493 HG23 VAL 77 2HG2 VAL 77 -3.357 -2.430 -6.214 494 H PHE 78 H PHE 78 -5.630 0.307 -3.495 495 HA PHE 78 HA PHE 78 -5.933 0.291 -0.551 496 HB3 PHE 78 1HB PHE 78 -7.752 1.916 -1.006 497 HD1 PHE 78 HD2 PHE 78 -5.046 2.380 -3.565 498 HD2 PHE 78 HD1 PHE 78 -6.563 3.573 0.295 499 HE1 PHE 78 HE2 PHE 78 -3.256 4.067 -3.376 500 HE2 PHE 78 HE1 PHE 78 -4.812 5.346 0.405 501 HZ PHE 78 HZ PHE 78 -3.183 5.588 -1.461 502 H LEU 79 H LEU 79 -6.974 -1.378 0.337 503 HA LEU 79 HA LEU 79 -9.244 -2.637 -1.111 504 HB3 LEU 79 1HB LEU 79 -9.181 -4.371 0.645 505 HG LEU 79 HG LEU 79 -6.375 -4.015 -0.378 506 HD11 LEU 79 1HD1 LEU 79 -6.730 -5.709 1.424 507 HD12 LEU 79 2HD1 LEU 79 -6.314 -6.496 -0.118 508 HD13 LEU 79 3HD1 LEU 79 -8.005 -6.461 0.418 509 HD21 LEU 79 3HD2 LEU 79 -6.997 -5.603 -2.188 510 HD22 LEU 79 1HD2 LEU 79 -7.740 -4.015 -2.347 511 HD23 LEU 79 2HD2 LEU 79 -8.687 -5.416 -1.730 512 H ARG 80 H ARG 80 -11.084 -3.003 -0.011 513 HA ARG 80 HA ARG 80 -11.695 -2.186 2.676 514 HB3 ARG 80 1HB ARG 80 -13.406 -0.683 0.669 515 HG3 ARG 80 1HG ARG 80 -12.670 -0.307 3.603 516 HD3 ARG 80 1HD ARG 80 -14.274 1.569 1.819 517 HE ARG 80 HE ARG 80 -14.675 1.293 4.445 518 HH11 ARG 80 1HH1 ARG 80 -12.889 3.933 2.798 519 HH12 ARG 80 2HH1 ARG 80 -13.291 5.056 4.065 520 HH21 ARG 80 1HH2 ARG 80 -15.121 2.855 5.988 521 HH22 ARG 80 2HH2 ARG 80 -14.513 4.467 5.801 522 H ASP 81 H ASP 81 -13.414 -3.430 3.412 523 HA ASP 81 HA ASP 81 -14.716 -5.270 3.488 524 HB3 ASP 81 1HB ASP 81 -15.461 -4.965 0.569 525 H GLY 82 H GLY 82 -11.855 -5.327 2.522 526 HA2 GLY 82 1HA GLY 82 -10.281 -6.955 2.010 527 HA3 GLY 82 2HA GLY 82 -11.593 -8.152 1.885 528 H ARG 83 H ARG 83 -11.901 -5.321 -0.090 529 HA ARG 83 HA ARG 83 -11.128 -6.829 -2.555 530 HB3 ARG 83 1HB ARG 83 -13.691 -5.227 -2.058 531 HG3 ARG 83 1HG ARG 83 -12.914 -7.130 -4.307 532 HD3 ARG 83 1HD ARG 83 -15.278 -5.200 -4.076 533 HE ARG 83 HE ARG 83 -15.436 -7.261 -6.068 534 HH11 ARG 83 1HH1 ARG 83 -13.928 -4.056 -5.688 535 HH12 ARG 83 2HH1 ARG 83 -14.023 -3.746 -7.384 536 HH21 ARG 83 1HH2 ARG 83 -15.449 -6.779 -8.239 537 HH22 ARG 83 2HH2 ARG 83 -14.849 -5.251 -8.805 538 H GLU 84 H GLU 84 -10.137 -5.574 -4.067 539 HA GLU 84 HA GLU 84 -9.125 -3.022 -3.512 540 HB3 GLU 84 1HB GLU 84 -9.529 -4.453 -6.155 541 HG3 GLU 84 1HG GLU 84 -7.928 -1.964 -5.523 542 H VAL 85 H VAL 85 -9.960 -1.174 -3.276 543 HA VAL 85 HA VAL 85 -12.395 -0.294 -4.779 544 HB VAL 85 HB VAL 85 -12.333 1.682 -3.260 545 HG11 VAL 85 1HG1 VAL 85 -13.332 0.539 -1.369 546 HG12 VAL 85 2HG1 VAL 85 -13.831 -0.247 -2.881 547 HG13 VAL 85 3HG1 VAL 85 -12.574 -0.998 -1.850 548 HG21 VAL 85 3HG2 VAL 85 -11.082 1.705 -1.228 549 HG22 VAL 85 1HG2 VAL 85 -10.420 0.097 -1.514 550 HG23 VAL 85 2HG2 VAL 85 -9.895 1.449 -2.530 551 H ALA 86 H ALA 86 -8.948 0.135 -4.569 552 HA ALA 86 HA ALA 86 -8.714 1.485 -7.080 553 HB1 ALA 86 3HB ALA 86 -7.741 3.630 -6.147 554 HB2 ALA 86 1HB ALA 86 -9.454 3.465 -5.772 555 HB3 ALA 86 2HB ALA 86 -8.211 3.093 -4.526 556 H ARG 87 H ARG 87 -6.342 2.317 -7.292 557 HA ARG 87 HA ARG 87 -4.485 1.464 -5.292 558 HB3 ARG 87 1HB ARG 87 -4.694 -0.643 -6.507 559 HG3 ARG 87 1HG ARG 87 -3.576 0.944 -8.874 560 HD3 ARG 87 1HD ARG 87 -2.483 -1.253 -8.245 561 HE ARG 87 HE ARG 87 -5.166 -2.244 -8.475 562 HH11 ARG 87 1HH1 ARG 87 -1.928 -3.238 -9.574 563 HH12 ARG 87 2HH1 ARG 87 -2.377 -4.932 -9.534 564 HH21 ARG 87 1HH2 ARG 87 -5.589 -4.424 -8.368 565 HH22 ARG 87 2HH2 ARG 87 -4.346 -5.568 -8.875 566 H VAL 88 H VAL 88 -2.427 2.386 -5.551 567 HA VAL 88 HA VAL 88 -2.147 4.527 -7.659 568 HB VAL 88 HB VAL 88 -1.452 4.649 -4.728 569 HG11 VAL 88 1HG1 VAL 88 -0.654 7.004 -5.168 570 HG12 VAL 88 2HG1 VAL 88 0.364 5.799 -5.961 571 HG13 VAL 88 3HG1 VAL 88 -0.835 6.717 -6.909 572 HG21 VAL 88 3HG2 VAL 88 -2.938 6.502 -4.468 573 HG22 VAL 88 1HG2 VAL 88 -3.276 6.541 -6.232 574 HG23 VAL 88 2HG2 VAL 88 -3.841 5.196 -5.241 575 H VAL 89 H VAL 89 -0.127 4.750 -8.518 576 HA VAL 89 HA VAL 89 2.103 3.016 -7.644 577 HB VAL 89 HB VAL 89 1.053 1.535 -9.135 578 HG11 VAL 89 1HG1 VAL 89 0.360 2.049 -11.437 579 HG12 VAL 89 2HG1 VAL 89 -0.567 2.969 -10.258 580 HG13 VAL 89 3HG1 VAL 89 0.732 3.765 -11.169 581 HG21 VAL 89 3HG2 VAL 89 3.094 2.925 -10.915 582 HG22 VAL 89 1HG2 VAL 89 3.525 1.898 -9.527 583 HG23 VAL 89 2HG2 VAL 89 2.629 1.212 -10.895 584 H ARG 90 H ARG 90 4.025 3.886 -7.950 585 HA ARG 90 HA ARG 90 5.626 5.414 -8.237 586 HB3 ARG 90 1HB ARG 90 4.564 6.217 -10.942 587 HG3 ARG 90 1HG ARG 90 7.224 5.178 -9.862 588 HD3 ARG 90 1HD ARG 90 6.818 6.680 -12.457 589 HE ARG 90 HE ARG 90 9.038 5.226 -11.166 590 HH11 ARG 90 1HH1 ARG 90 7.935 6.464 -14.289 591 HH12 ARG 90 2HH1 ARG 90 9.536 6.405 -14.969 592 HH21 ARG 90 1HH2 ARG 90 10.989 5.133 -12.052 593 HH22 ARG 90 2HH2 ARG 90 11.285 5.680 -13.696 594 HA PRO 91 HA PRO 91 2.313 8.438 -6.880 595 HB3 PRO 91 1HB PRO 91 2.498 7.942 -4.736 596 HG3 PRO 91 1HG PRO 91 4.479 7.002 -3.833 597 HD3 PRO 91 1HD PRO 91 3.968 5.777 -5.812 598 H GLY 92 H GLY 92 5.782 9.466 -6.821 599 HA2 GLY 92 1HA GLY 92 6.769 11.256 -7.909 600 HA3 GLY 92 2HA GLY 92 5.177 11.757 -8.528 601 H SER 93 H SER 93 3.725 12.305 -6.271 602 HA SER 93 HA SER 93 5.206 13.855 -4.316 603 HB3 SER 93 1HB SER 93 3.325 15.459 -6.058 604 HG SER 93 HG SER 93 4.456 17.172 -4.993 605 H ALA 94 H ALA 94 3.867 14.749 -2.656 606 HA ALA 94 HA ALA 94 1.857 12.998 -1.699 607 HB1 ALA 94 3HB ALA 94 1.606 14.719 0.055 608 HB2 ALA 94 1HB ALA 94 3.325 14.440 -0.314 609 HB3 ALA 94 2HB ALA 94 2.505 15.882 -0.966 610 H SER 95 H SER 95 1.482 15.945 -3.674 611 HA SER 95 HA SER 95 -1.301 16.341 -3.326 612 HB3 SER 95 1HB SER 95 0.083 17.944 -4.493 613 HG SER 95 HG SER 95 0.943 17.424 -6.583 614 H VAL 96 H VAL 96 0.366 13.901 -5.329 615 HA VAL 96 HA VAL 96 -2.136 13.011 -6.632 616 HB VAL 96 HB VAL 96 0.673 11.827 -6.607 617 HG11 VAL 96 1HG1 VAL 96 -0.048 10.574 -8.633 618 HG12 VAL 96 2HG1 VAL 96 -0.925 10.063 -7.194 619 HG13 VAL 96 3HG1 VAL 96 -1.714 11.134 -8.384 620 HG21 VAL 96 3HG2 VAL 96 0.655 14.037 -7.703 621 HG22 VAL 96 1HG2 VAL 96 0.855 12.768 -8.910 622 HG23 VAL 96 2HG2 VAL 96 -0.735 13.558 -8.693 623 H LEU 97 H LEU 97 0.017 11.920 -4.006 624 HA LEU 97 HA LEU 97 -1.411 9.435 -3.620 625 HB3 LEU 97 1HB LEU 97 0.113 10.399 -1.301 626 HG LEU 97 HG LEU 97 0.643 8.222 -3.399 627 HD11 LEU 97 1HD1 LEU 97 1.843 8.554 -0.624 628 HD12 LEU 97 2HD1 LEU 97 2.671 8.782 -2.188 629 HD13 LEU 97 3HD1 LEU 97 2.083 7.191 -1.754 630 HD21 LEU 97 3HD2 LEU 97 -0.207 6.818 -1.311 631 HD22 LEU 97 1HD2 LEU 97 -1.382 7.561 -2.412 632 HD23 LEU 97 2HD2 LEU 97 -1.002 8.335 -0.881 633 H GLU 98 H GLU 98 -1.427 12.500 -1.753 634 HA GLU 98 HA GLU 98 -3.482 11.860 0.074 635 HB3 GLU 98 1HB GLU 98 -3.872 14.324 0.156 636 HG3 GLU 98 1HG GLU 98 -0.909 13.614 0.205 637 H GLU 99 H GLU 99 -3.774 13.173 -3.266 638 HA GLU 99 HA GLU 99 -6.554 13.625 -3.356 639 HB3 GLU 99 1HB GLU 99 -4.527 12.793 -5.455 640 HG3 GLU 99 1HG GLU 99 -7.439 13.496 -5.844 641 H ALA 100 H ALA 100 -4.762 10.588 -3.749 642 HA ALA 100 HA ALA 100 -7.189 9.046 -4.349 643 HB1 ALA 100 3HB ALA 100 -4.993 8.455 -5.295 644 HB2 ALA 100 1HB ALA 100 -4.358 8.148 -3.663 645 HB3 ALA 100 2HB ALA 100 -5.663 7.124 -4.325 646 H PHE 101 H PHE 101 -5.080 9.573 -1.450 647 HA PHE 101 HA PHE 101 -6.327 7.641 0.211 648 HB3 PHE 101 1HB PHE 101 -5.655 9.587 1.950 649 HD1 PHE 101 HD1 PHE 101 -3.247 7.911 -0.529 650 HD2 PHE 101 HD2 PHE 101 -4.898 7.998 3.482 651 HE1 PHE 101 HE1 PHE 101 -1.663 6.223 0.196 652 HE2 PHE 101 HE2 PHE 101 -3.275 6.272 4.164 653 HZ PHE 101 HZ PHE 101 -1.641 5.379 2.479 654 H GLU 102 H GLU 102 -7.133 11.146 -0.124 655 HA GLU 102 HA GLU 102 -9.363 11.118 1.628 656 HB3 GLU 102 1HB GLU 102 -8.460 13.197 0.978 657 HG3 GLU 102 1HG GLU 102 -8.307 12.304 -1.664 658 H SER 103 H SER 103 -9.160 10.194 -1.791 659 HA SER 103 HA SER 103 -12.002 10.036 -2.188 660 HB3 SER 103 1HB SER 103 -9.772 8.673 -3.743 661 HG SER 103 HG SER 103 -11.320 8.912 -5.470 662 H LEU 104 H LEU 104 -9.608 7.758 -0.908 663 HA LEU 104 HA LEU 104 -11.604 5.522 -1.014 664 HB3 LEU 104 1HB LEU 104 -9.605 4.127 -0.361 665 HG LEU 104 HG LEU 104 -8.849 3.715 -2.445 666 HD11 LEU 104 1HD1 LEU 104 -11.409 3.764 -2.396 667 HD12 LEU 104 2HD1 LEU 104 -10.656 3.803 -3.988 668 HD13 LEU 104 3HD1 LEU 104 -11.298 5.299 -3.279 669 HD21 LEU 104 3HD2 LEU 104 -9.220 6.596 -3.290 670 HD22 LEU 104 1HD2 LEU 104 -8.567 5.323 -4.297 671 HD23 LEU 104 2HD2 LEU 104 -7.670 5.807 -2.857 672 H VAL 105 H VAL 105 -9.962 7.544 1.316 673 HA VAL 105 HA VAL 105 -10.794 6.041 3.619 674 HB VAL 105 HB VAL 105 -9.020 7.959 3.398 675 HG11 VAL 105 1HG1 VAL 105 -10.671 9.708 2.673 676 HG12 VAL 105 2HG1 VAL 105 -11.385 9.640 4.287 677 HG13 VAL 105 3HG1 VAL 105 -9.709 10.154 4.076 678 HG21 VAL 105 3HG2 VAL 105 -10.786 7.855 5.865 679 HG22 VAL 105 1HG2 VAL 105 -9.574 6.639 5.423 680 HG23 VAL 105 2HG2 VAL 105 -9.057 8.298 5.757 681 H GLY 106 H GLY 106 -12.404 8.325 1.492 682 HA2 GLY 106 1HA GLY 106 -14.705 8.479 1.208 683 HA3 GLY 106 2HA GLY 106 -15.001 7.918 2.882 684 H GLU 107 H GLU 107 -12.631 10.403 2.683 685 HA GLU 107 HA GLU 107 -14.465 12.444 3.768 686 HB3 GLU 107 1HB GLU 107 -12.216 13.765 3.751 687 HG3 GLU 107 1HG GLU 107 -11.266 12.479 5.697 688 H GLY 108 H GLY 108 -12.916 11.616 0.745 689 HA2 GLY 108 1HA GLY 108 -13.249 14.257 -0.491 690 HA3 GLY 108 2HA GLY 108 -12.575 12.783 -1.223 Start of MODEL 17 1 H1 MET 1 H MET 1 14.437 5.488 8.882 2 HA MET 1 HA MET 1 15.213 3.850 10.358 3 HB3 MET 1 1HB MET 1 14.817 6.212 12.240 4 HG3 MET 1 1HG MET 1 16.856 3.952 12.226 5 HE1 MET 1 3HE MET 1 16.710 7.182 15.535 6 HE2 MET 1 1HE MET 1 15.577 7.245 14.169 7 HE3 MET 1 2HE MET 1 15.537 5.876 15.310 8 H LYS 2 H LYS 2 12.207 5.357 11.410 9 HA LYS 2 HA LYS 2 11.573 3.406 13.486 10 HB3 LYS 2 1HB LYS 2 9.850 5.469 12.030 11 HG3 LYS 2 1HG LYS 2 9.472 4.099 14.742 12 HD3 LYS 2 1HD LYS 2 7.887 6.285 13.320 13 HE3 LYS 2 1HE LYS 2 6.411 4.597 14.425 14 HZ1 LYS 2 3HZ LYS 2 6.406 4.580 16.850 15 HZ2 LYS 2 1HZ LYS 2 7.746 5.515 16.915 16 HZ3 LYS 2 2HZ LYS 2 7.823 3.993 16.308 17 H THR 3 H THR 3 10.621 3.788 10.074 18 HA THR 3 HA THR 3 8.600 1.701 10.150 19 HB THR 3 HB THR 3 9.799 3.135 7.746 20 HG1 THR 3 HG1 THR 3 8.052 4.551 8.086 21 HG21 THR 3 3HG2 THR 3 8.460 1.225 7.023 22 HG22 THR 3 1HG2 THR 3 7.524 2.694 6.759 23 HG23 THR 3 2HG2 THR 3 7.145 1.651 8.145 24 H ARG 4 H ARG 4 8.598 -0.275 9.204 25 HA ARG 4 HA ARG 4 10.702 -1.208 7.490 26 HB3 ARG 4 1HB ARG 4 11.932 -1.734 9.350 27 HG3 ARG 4 1HG ARG 4 9.890 -1.895 11.075 28 HD3 ARG 4 1HD ARG 4 9.851 -4.311 11.858 29 HE ARG 4 HE ARG 4 8.222 -3.152 9.870 30 HH11 ARG 4 1HH1 ARG 4 8.929 -6.460 10.945 31 HH12 ARG 4 2HH1 ARG 4 7.399 -7.072 10.380 32 HH21 ARG 4 1HH2 ARG 4 6.366 -3.982 9.103 33 HH22 ARG 4 2HH2 ARG 4 5.989 -5.673 9.255 34 H TYR 5 H TYR 5 10.223 -3.097 6.364 35 HA TYR 5 HA TYR 5 7.341 -3.434 5.882 36 HB3 TYR 5 1HB TYR 5 8.581 -4.993 4.049 37 HD1 TYR 5 HD2 TYR 5 9.285 -1.309 4.561 38 HD2 TYR 5 HD1 TYR 5 7.161 -4.363 2.430 39 HE1 TYR 5 HE2 TYR 5 8.394 0.422 2.980 40 HE2 TYR 5 HE1 TYR 5 6.264 -2.635 0.827 41 HH TYR 5 HH TYR 5 6.479 -0.465 0.098 42 H SER 6 H SER 6 6.332 -5.520 5.540 43 HA SER 6 HA SER 6 7.290 -7.566 7.428 44 HB3 SER 6 1HB SER 6 5.001 -8.508 7.221 45 HG SER 6 HG SER 6 3.906 -6.728 8.217 46 H ALA 7 H ALA 7 8.372 -9.257 6.677 47 HA ALA 7 HA ALA 7 7.900 -10.490 4.015 48 HB1 ALA 7 3HB ALA 7 10.155 -10.545 5.071 49 HB2 ALA 7 1HB ALA 7 9.480 -11.401 6.479 50 HB3 ALA 7 2HB ALA 7 9.497 -12.173 4.879 51 H GLU 8 H GLU 8 6.879 -10.698 7.341 52 HA GLU 8 HA GLU 8 5.469 -13.185 7.255 53 HB3 GLU 8 1HB GLU 8 6.492 -12.256 9.280 54 HG3 GLU 8 1HG GLU 8 4.912 -10.614 10.562 55 H ALA 9 H ALA 9 4.631 -11.255 5.163 56 HA ALA 9 HA ALA 9 1.974 -10.305 5.759 57 HB1 ALA 9 3HB ALA 9 3.367 -10.843 3.106 58 HB2 ALA 9 1HB ALA 9 1.816 -10.004 3.280 59 HB3 ALA 9 2HB ALA 9 3.298 -9.283 3.968 60 HA PRO 10 HA PRO 10 -0.460 -13.974 5.187 61 HB3 PRO 10 1HB PRO 10 -2.248 -12.648 5.822 62 HG3 PRO 10 1HG PRO 10 -2.549 -10.429 4.887 63 HD3 PRO 10 1HD PRO 10 -0.461 -10.593 6.000 64 H ALA 11 H ALA 11 -1.524 -15.363 3.633 65 HA ALA 11 HA ALA 11 -0.696 -15.148 0.804 66 HB1 ALA 11 3HB ALA 11 -2.521 -17.123 2.258 67 HB2 ALA 11 1HB ALA 11 -1.959 -17.257 0.576 68 HB3 ALA 11 2HB ALA 11 -0.798 -17.352 1.913 69 H ARG 12 H ARG 12 -2.332 -14.932 -0.944 70 HA ARG 12 HA ARG 12 -3.966 -12.710 -0.405 71 HB3 ARG 12 1HB ARG 12 -4.056 -14.555 -2.830 72 HG3 ARG 12 1HG ARG 12 -5.981 -13.121 -2.958 73 HD3 ARG 12 1HD ARG 12 -4.154 -10.708 -2.615 74 HE ARG 12 HE ARG 12 -5.965 -9.733 -3.613 75 HH11 ARG 12 1HH1 ARG 12 -7.266 -12.067 -1.266 76 HH12 ARG 12 2HH1 ARG 12 -8.915 -11.540 -1.552 77 HH21 ARG 12 1HH2 ARG 12 -8.124 -9.048 -3.795 78 HH22 ARG 12 2HH2 ARG 12 -9.350 -9.813 -2.824 79 H ASP 13 H ASP 13 -4.863 -16.115 -0.423 80 HA ASP 13 HA ASP 13 -7.723 -15.719 -0.261 81 HB3 ASP 13 1HB ASP 13 -5.988 -18.038 0.676 82 H GLU 14 H GLU 14 -5.122 -15.827 2.157 83 HA GLU 14 HA GLU 14 -6.899 -15.926 4.462 84 HB3 GLU 14 1HB GLU 14 -3.947 -15.217 4.222 85 HG3 GLU 14 1HG GLU 14 -5.653 -16.062 6.599 86 H LEU 15 H LEU 15 -5.237 -13.404 2.603 87 HA LEU 15 HA LEU 15 -5.991 -11.125 4.172 88 HB3 LEU 15 1HB LEU 15 -5.217 -11.452 1.228 89 HG LEU 15 HG LEU 15 -5.550 -9.034 2.999 90 HD11 LEU 15 1HD1 LEU 15 -3.874 -7.765 1.706 91 HD12 LEU 15 2HD1 LEU 15 -3.386 -9.261 0.886 92 HD13 LEU 15 3HD1 LEU 15 -3.126 -9.066 2.628 93 HD21 LEU 15 3HD2 LEU 15 -7.117 -9.402 1.059 94 HD22 LEU 15 1HD2 LEU 15 -5.712 -9.347 -0.042 95 HD23 LEU 15 2HD2 LEU 15 -6.165 -7.930 0.915 96 H ASP 16 H ASP 16 -7.599 -12.919 1.586 97 HA ASP 16 HA ASP 16 -9.562 -11.090 0.812 98 HB3 ASP 16 1HB ASP 16 -10.113 -14.065 1.104 99 H ARG 17 H ARG 17 -9.383 -12.880 3.761 100 HA ARG 17 HA ARG 17 -12.186 -12.758 4.542 101 HB3 ARG 17 1HB ARG 17 -11.176 -13.573 6.739 102 HG3 ARG 17 1HG ARG 17 -10.706 -15.057 4.120 103 HD3 ARG 17 1HD ARG 17 -9.903 -15.852 6.929 104 HE ARG 17 HE ARG 17 -10.924 -17.848 6.393 105 HH11 ARG 17 1HH1 ARG 17 -9.066 -16.860 3.526 106 HH12 ARG 17 2HH1 ARG 17 -9.050 -18.475 2.880 107 HH21 ARG 17 1HH2 ARG 17 -10.948 -19.880 5.433 108 HH22 ARG 17 2HH2 ARG 17 -10.148 -20.123 3.911 109 H LEU 18 H LEU 18 -9.590 -10.431 4.572 110 HA LEU 18 HA LEU 18 -10.482 -9.022 6.936 111 HB3 LEU 18 1HB LEU 18 -8.236 -8.789 5.885 112 HG LEU 18 HG LEU 18 -8.944 -8.036 3.506 113 HD11 LEU 18 1HD1 LEU 18 -10.568 -6.249 3.921 114 HD12 LEU 18 2HD1 LEU 18 -9.118 -5.522 3.262 115 HD13 LEU 18 3HD1 LEU 18 -9.420 -5.416 5.004 116 HD21 LEU 18 3HD2 LEU 18 -6.965 -6.620 3.328 117 HD22 LEU 18 1HD2 LEU 18 -6.635 -7.883 4.529 118 HD23 LEU 18 2HD2 LEU 18 -7.025 -6.246 5.066 119 H ALA 19 H ALA 19 -11.518 -6.901 7.050 120 HA ALA 19 HA ALA 19 -13.373 -6.182 4.883 121 HB1 ALA 19 3HB ALA 19 -14.506 -8.074 5.919 122 HB2 ALA 19 1HB ALA 19 -14.416 -7.296 7.521 123 HB3 ALA 19 2HB ALA 19 -15.394 -6.571 6.221 124 H GLY 20 H GLY 20 -11.774 -4.391 5.223 125 HA2 GLY 20 1HA GLY 20 -13.245 -2.153 6.187 126 HA3 GLY 20 2HA GLY 20 -11.938 -2.480 7.312 127 HA PRO 21 HA PRO 21 -10.503 0.130 3.546 128 HB3 PRO 21 1HB PRO 21 -10.505 2.398 4.049 129 HG3 PRO 21 1HG PRO 21 -12.730 1.731 4.575 130 HD3 PRO 21 1HD PRO 21 -13.170 0.012 6.121 131 H THR 22 H THR 22 -8.631 -0.869 3.066 132 HA THR 22 HA THR 22 -6.310 -0.753 4.934 133 HB THR 22 HB THR 22 -7.246 -3.285 3.532 134 HG1 THR 22 HG1 THR 22 -8.538 -2.797 5.294 135 HG21 THR 22 3HG2 THR 22 -4.779 -3.182 3.811 136 HG22 THR 22 1HG2 THR 22 -5.480 -4.351 4.929 137 HG23 THR 22 2HG2 THR 22 -4.981 -2.762 5.524 138 H LEU 23 H LEU 23 -4.754 0.239 3.829 139 HA LEU 23 HA LEU 23 -4.510 -0.128 0.913 140 HB3 LEU 23 1HB LEU 23 -2.907 1.535 2.900 141 HG LEU 23 HG LEU 23 -1.556 1.072 0.865 142 HD11 LEU 23 1HD1 LEU 23 -2.931 0.473 -0.844 143 HD12 LEU 23 2HD1 LEU 23 -2.661 2.159 -1.312 144 HD13 LEU 23 3HD1 LEU 23 -4.150 1.711 -0.481 145 HD21 LEU 23 3HD2 LEU 23 -1.191 3.375 0.138 146 HD22 LEU 23 1HD2 LEU 23 -1.424 3.286 1.888 147 HD23 LEU 23 2HD2 LEU 23 -2.751 3.852 0.843 148 H VAL 24 H VAL 24 -3.295 -1.702 0.069 149 HA VAL 24 HA VAL 24 -1.246 -3.064 1.770 150 HB VAL 24 HB VAL 24 -2.538 -4.134 -0.781 151 HG11 VAL 24 1HG1 VAL 24 -0.308 -5.077 -0.193 152 HG12 VAL 24 2HG1 VAL 24 -0.934 -5.527 1.410 153 HG13 VAL 24 3HG1 VAL 24 -1.596 -6.278 -0.055 154 HG21 VAL 24 3HG2 VAL 24 -4.300 -3.937 0.931 155 HG22 VAL 24 1HG2 VAL 24 -3.864 -5.624 0.671 156 HG23 VAL 24 2HG2 VAL 24 -3.257 -4.780 2.113 157 H GLU 25 H GLU 25 0.723 -2.389 1.471 158 HA GLU 25 HA GLU 25 1.548 -1.108 -1.078 159 HB3 GLU 25 1HB GLU 25 2.283 -0.765 1.838 160 HG3 GLU 25 1HG GLU 25 3.994 -0.010 -0.519 161 H PHE 26 H PHE 26 3.098 -1.935 -2.312 162 HA PHE 26 HA PHE 26 4.593 -4.323 -1.367 163 HB3 PHE 26 1HB PHE 26 4.698 -4.922 -3.741 164 HD1 PHE 26 HD2 PHE 26 3.512 -6.683 -2.363 165 HD2 PHE 26 HD1 PHE 26 1.448 -3.285 -4.010 166 HE1 PHE 26 HE2 PHE 26 1.337 -7.777 -1.895 167 HE2 PHE 26 HE1 PHE 26 -0.736 -4.398 -3.567 168 HZ PHE 26 HZ PHE 26 -0.779 -6.617 -2.444 169 H GLY 27 H GLY 27 6.755 -4.397 -1.440 170 HA2 GLY 27 1HA GLY 27 8.671 -3.139 -2.902 171 HA3 GLY 27 2HA GLY 27 8.238 -1.902 -1.730 172 H THR 28 H THR 28 10.274 -2.007 -0.685 173 HA THR 28 HA THR 28 10.436 -4.056 1.416 174 HB THR 28 HB THR 28 12.871 -4.288 1.234 175 HG1 THR 28 HG1 THR 28 13.831 -3.566 -0.769 176 HG21 THR 28 3HG2 THR 28 11.422 -5.968 0.135 177 HG22 THR 28 1HG2 THR 28 12.984 -5.786 -0.672 178 HG23 THR 28 2HG2 THR 28 11.534 -5.065 -1.375 179 H ASP 29 H ASP 29 12.322 -3.265 3.008 180 HA ASP 29 HA ASP 29 11.582 -0.482 3.680 181 HB3 ASP 29 1HB ASP 29 11.615 -2.141 5.446 182 H TRP 30 H TRP 30 13.881 -1.861 1.690 183 HA TRP 30 HA TRP 30 15.974 0.186 2.277 184 HB3 TRP 30 1HB TRP 30 16.653 -1.904 3.110 185 HD1 TRP 30 HD TRP 30 15.351 -4.076 3.364 186 HE1 TRP 30 HE1 TRP 30 14.944 -6.158 1.919 187 HE3 TRP 30 HE3 TRP 30 17.181 -2.318 -1.075 188 HZ2 TRP 30 HZ2 TRP 30 15.332 -6.941 -0.840 189 HZ3 TRP 30 HZ3 TRP 30 17.169 -3.745 -3.089 190 HH2 TRP 30 HH TRP 30 16.246 -6.066 -2.995 191 H CYS 31 H CYS 31 14.037 -0.999 -0.423 192 HA CYS 31 HA CYS 31 15.930 -0.297 -2.476 193 HB2 CYS 31 1HB CYS 31 13.978 -1.760 -2.865 194 HB3 CYS 31 2HB CYS 31 12.895 -0.380 -2.612 195 H GLY 32 H GLY 32 16.113 1.552 -3.751 196 HA2 GLY 32 1HA GLY 32 15.847 4.131 -2.502 197 HA3 GLY 32 2HA GLY 32 16.327 3.821 -4.174 198 H HIS 33 H HIS 33 13.749 2.386 -4.788 199 HA HIS 33 HA HIS 33 11.954 4.627 -5.324 200 HB2 HIS 33 1HB HIS 33 11.754 1.589 -5.442 201 HB3 HIS 33 2HB HIS 33 10.312 2.580 -5.550 202 HD1 HIS 33 HD1 HIS 33 11.687 0.767 -7.960 203 HD2 HIS 33 HD2 HIS 33 11.314 4.912 -7.464 204 HE1 HIS 33 HE1 HIS 33 11.532 1.748 -10.308 205 H CYS 34 H CYS 34 11.993 2.018 -2.840 206 HA CYS 34 HA CYS 34 9.678 2.958 -1.448 207 HB3 CYS 34 1HB CYS 34 10.979 1.692 0.482 208 HG CYS 34 HG CYS 34 9.780 -0.404 -0.006 209 H GLN 35 H GLN 35 13.114 3.905 -1.085 210 HA GLN 35 HA GLN 35 12.654 5.342 1.354 211 HB3 GLN 35 1HB GLN 35 14.768 6.477 0.948 212 HG3 GLN 35 1HG GLN 35 16.312 4.749 0.706 213 HE21 GLN 35 2HE2 GLN 35 14.108 2.168 0.583 214 HE22 GLN 35 1HE2 GLN 35 14.031 1.921 2.343 215 H ALA 36 H ALA 36 11.909 6.144 -1.902 216 HA ALA 36 HA ALA 36 11.364 9.016 -1.380 217 HB1 ALA 36 3HB ALA 36 10.926 7.307 -3.868 218 HB2 ALA 36 1HB ALA 36 10.797 9.069 -3.761 219 HB3 ALA 36 2HB ALA 36 12.370 8.289 -3.523 220 H ALA 37 H ALA 37 9.512 5.982 -1.955 221 HA ALA 37 HA ALA 37 6.944 7.380 -1.863 222 HB1 ALA 37 3HB ALA 37 7.317 5.408 -3.277 223 HB2 ALA 37 1HB ALA 37 7.589 4.407 -1.818 224 HB3 ALA 37 2HB ALA 37 5.991 5.165 -2.120 225 H GLN 38 H GLN 38 8.902 5.612 0.525 226 HA GLN 38 HA GLN 38 6.947 5.180 2.520 227 HB3 GLN 38 1HB GLN 38 9.037 5.509 4.076 228 HG3 GLN 38 1HG GLN 38 8.972 3.360 1.910 229 HE21 GLN 38 2HE2 GLN 38 10.300 1.387 2.428 230 HE22 GLN 38 1HE2 GLN 38 11.689 1.616 3.486 231 HA PRO 39 HA PRO 39 7.688 9.479 4.467 232 HB3 PRO 39 1HB PRO 39 9.820 10.267 4.194 233 HG3 PRO 39 1HG PRO 39 11.000 9.989 2.118 234 HD3 PRO 39 1HD PRO 39 10.323 7.849 2.878 235 H LEU 40 H LEU 40 6.979 9.005 1.085 236 HA LEU 40 HA LEU 40 5.224 11.282 0.691 237 HB3 LEU 40 1HB LEU 40 4.565 8.776 -0.781 238 HG LEU 40 HG LEU 40 4.759 9.931 -2.729 239 HD11 LEU 40 1HD1 LEU 40 4.002 12.299 -1.012 240 HD12 LEU 40 2HD1 LEU 40 2.979 10.863 -1.069 241 HD13 LEU 40 3HD1 LEU 40 3.326 11.734 -2.561 242 HD21 LEU 40 3HD2 LEU 40 5.913 12.058 -3.110 243 HD22 LEU 40 1HD2 LEU 40 7.011 10.801 -2.516 244 HD23 LEU 40 2HD2 LEU 40 6.448 12.076 -1.405 245 H LEU 41 H LEU 41 4.676 7.810 1.375 246 HA LEU 41 HA LEU 41 1.888 7.966 1.926 247 HB3 LEU 41 1HB LEU 41 2.506 5.861 3.404 248 HG LEU 41 HG LEU 41 2.294 4.378 1.623 249 HD11 LEU 41 1HD1 LEU 41 0.346 5.079 0.445 250 HD12 LEU 41 2HD1 LEU 41 0.702 6.789 0.702 251 HD13 LEU 41 3HD1 LEU 41 0.288 5.767 2.083 252 HD21 LEU 41 3HD2 LEU 41 4.056 5.073 0.185 253 HD22 LEU 41 1HD2 LEU 41 3.271 6.594 -0.183 254 HD23 LEU 41 2HD2 LEU 41 2.560 5.065 -0.766 255 H ALA 42 H ALA 42 4.704 8.167 4.098 256 HA ALA 42 HA ALA 42 3.325 8.513 6.539 257 HB1 ALA 42 3HB ALA 42 5.402 9.473 7.360 258 HB2 ALA 42 1HB ALA 42 5.791 8.159 6.238 259 HB3 ALA 42 2HB ALA 42 5.924 9.863 5.715 260 H GLU 43 H GLU 43 4.048 11.030 4.091 261 HA GLU 43 HA GLU 43 3.036 13.224 5.699 262 HB3 GLU 43 1HB GLU 43 2.964 14.385 3.395 263 HG3 GLU 43 1HG GLU 43 5.519 14.267 3.163 264 H VAL 44 H VAL 44 1.562 11.265 3.042 265 HA VAL 44 HA VAL 44 -0.950 12.675 3.194 266 HB VAL 44 HB VAL 44 -0.532 11.621 1.174 267 HG11 VAL 44 1HG1 VAL 44 -0.280 9.317 0.725 268 HG12 VAL 44 2HG1 VAL 44 0.959 9.846 1.819 269 HG13 VAL 44 3HG1 VAL 44 -0.400 8.884 2.455 270 HG21 VAL 44 3HG2 VAL 44 -2.483 10.261 0.772 271 HG22 VAL 44 1HG2 VAL 44 -2.622 9.852 2.497 272 HG23 VAL 44 2HG2 VAL 44 -2.928 11.499 1.958 273 H PHE 45 H PHE 45 0.072 9.555 4.624 274 HA PHE 45 HA PHE 45 -2.398 8.842 5.768 275 HB3 PHE 45 1HB PHE 45 -0.295 7.850 7.464 276 HD1 PHE 45 HD1 PHE 45 -2.816 6.999 7.697 277 HD2 PHE 45 HD2 PHE 45 -0.076 5.853 4.568 278 HE1 PHE 45 HE1 PHE 45 -4.136 4.989 7.281 279 HE2 PHE 45 HE2 PHE 45 -1.371 3.778 4.195 280 HZ PHE 45 HZ PHE 45 -3.428 3.337 5.525 281 H SER 46 H SER 46 -0.125 11.199 6.971 282 HA SER 46 HA SER 46 -0.900 11.250 9.727 283 HB3 SER 46 1HB SER 46 -0.082 13.617 9.632 284 HG SER 46 HG SER 46 1.701 11.832 8.290 285 H ASP 47 H ASP 47 -2.717 12.244 6.910 286 HA ASP 47 HA ASP 47 -4.675 13.721 8.611 287 HB3 ASP 47 1HB ASP 47 -4.654 13.524 5.591 288 H TYR 48 H TYR 48 -4.216 10.605 7.406 289 HA TYR 48 HA TYR 48 -7.129 9.951 7.583 290 HB3 TYR 48 1HB TYR 48 -7.007 8.467 5.709 291 HD1 TYR 48 HD2 TYR 48 -8.509 10.505 5.300 292 HD2 TYR 48 HD1 TYR 48 -4.349 10.376 4.233 293 HE1 TYR 48 HE2 TYR 48 -8.843 12.458 3.783 294 HE2 TYR 48 HE1 TYR 48 -4.645 12.425 2.823 295 HH TYR 48 HH TYR 48 -6.098 13.992 2.036 296 HA PRO 49 HA PRO 49 -4.163 7.107 10.050 297 HB3 PRO 49 1HB PRO 49 -3.669 8.574 11.740 298 HG3 PRO 49 1HG PRO 49 -5.196 10.308 12.372 299 HD3 PRO 49 1HD PRO 49 -4.746 10.486 10.045 300 H GLU 50 H GLU 50 -7.654 7.517 9.963 301 HA GLU 50 HA GLU 50 -8.267 5.045 11.353 302 HB3 GLU 50 1HB GLU 50 -9.874 6.828 11.304 303 HG3 GLU 50 1HG GLU 50 -11.325 6.763 9.118 304 H VAL 51 H VAL 51 -6.983 5.638 8.197 305 HA VAL 51 HA VAL 51 -8.074 3.146 7.014 306 HB VAL 51 HB VAL 51 -5.926 5.026 5.964 307 HG11 VAL 51 1HG1 VAL 51 -7.444 2.754 4.593 308 HG12 VAL 51 2HG1 VAL 51 -6.396 3.925 3.760 309 HG13 VAL 51 3HG1 VAL 51 -5.693 2.813 4.928 310 HG21 VAL 51 3HG2 VAL 51 -8.877 4.803 5.257 311 HG22 VAL 51 1HG2 VAL 51 -8.103 6.165 6.099 312 HG23 VAL 51 2HG2 VAL 51 -7.685 5.822 4.418 313 H GLY 52 H GLY 52 -6.859 1.197 6.775 314 HA2 GLY 52 1HA GLY 52 -4.608 0.771 8.650 315 HA3 GLY 52 2HA GLY 52 -5.478 -0.460 7.711 316 H HIS 53 H HIS 53 -2.550 -0.139 7.963 317 HA HIS 53 HA HIS 53 -1.989 -0.058 5.036 318 HB2 HIS 53 1HB HIS 53 -1.265 2.093 6.314 319 HB3 HIS 53 2HB HIS 53 -0.027 1.094 7.044 320 HD1 HIS 53 HD1 HIS 53 1.933 2.477 5.751 321 HD2 HIS 53 HD2 HIS 53 -0.942 0.654 3.291 322 HE1 HIS 53 HE1 HIS 53 2.798 2.621 3.322 323 H LEU 54 H LEU 54 -1.090 -1.895 4.359 324 HA LEU 54 HA LEU 54 0.495 -3.576 6.257 325 HB3 LEU 54 1HB LEU 54 -0.804 -4.568 3.700 326 HG LEU 54 HG LEU 54 -0.647 -5.961 6.398 327 HD11 LEU 54 1HD1 LEU 54 -2.301 -6.748 4.713 328 HD12 LEU 54 2HD1 LEU 54 -1.073 -7.963 5.083 329 HD13 LEU 54 3HD1 LEU 54 -0.973 -7.038 3.560 330 HD21 LEU 54 3HD2 LEU 54 1.241 -7.342 5.468 331 HD22 LEU 54 1HD2 LEU 54 1.688 -5.688 5.867 332 HD23 LEU 54 2HD2 LEU 54 1.424 -6.142 4.164 333 H LYS 55 H LYS 55 2.624 -3.233 5.916 334 HA LYS 55 HA LYS 55 3.688 -2.541 3.237 335 HB3 LYS 55 1HB LYS 55 5.845 -2.572 4.418 336 HG3 LYS 55 1HG LYS 55 4.359 -0.488 4.300 337 HD3 LYS 55 1HD LYS 55 2.918 -0.834 6.276 338 HE3 LYS 55 1HE LYS 55 5.538 -0.787 7.849 339 HZ1 LYS 55 3HZ LYS 55 4.073 -0.920 9.781 340 HZ2 LYS 55 1HZ LYS 55 2.734 -0.797 8.862 341 HZ3 LYS 55 2HZ LYS 55 3.770 0.465 8.963 342 H VAL 56 H VAL 56 3.651 -4.265 1.865 343 HA VAL 56 HA VAL 56 4.452 -7.006 2.764 344 HB VAL 56 HB VAL 56 3.415 -6.022 0.058 345 HG11 VAL 56 1HG1 VAL 56 3.004 -8.391 -0.414 346 HG12 VAL 56 2HG1 VAL 56 4.712 -8.134 -0.112 347 HG13 VAL 56 3HG1 VAL 56 3.695 -8.860 1.163 348 HG21 VAL 56 3HG2 VAL 56 1.259 -7.009 0.625 349 HG22 VAL 56 1HG2 VAL 56 1.858 -7.461 2.234 350 HG23 VAL 56 2HG2 VAL 56 1.653 -5.750 1.789 351 H GLU 57 H GLU 57 6.375 -7.582 2.735 352 HA GLU 57 HA GLU 57 8.429 -6.290 1.186 353 HB3 GLU 57 1HB GLU 57 8.592 -8.951 2.612 354 HG3 GLU 57 1HG GLU 57 10.606 -6.725 2.405 355 H ASP 58 H ASP 58 8.994 -6.773 -0.884 356 HA ASP 58 HA ASP 58 8.161 -9.380 -2.120 357 HB3 ASP 58 1HB ASP 58 8.512 -6.682 -3.480 358 H GLY 59 H GLY 59 9.624 -10.449 -3.454 359 HA2 GLY 59 1HA GLY 59 12.436 -9.492 -3.667 360 HA3 GLY 59 2HA GLY 59 12.110 -10.994 -2.804 361 HA PRO 60 HA PRO 60 12.701 -12.022 -7.330 362 HB3 PRO 60 1HB PRO 60 14.993 -12.174 -7.119 363 HG3 PRO 60 1HG PRO 60 16.026 -12.753 -5.046 364 HD3 PRO 60 1HD PRO 60 14.616 -10.901 -4.571 365 H GLY 61 H GLY 61 12.188 -13.984 -4.407 366 HA2 GLY 61 1HA GLY 61 10.764 -16.136 -5.873 367 HA3 GLY 61 2HA GLY 61 10.982 -15.983 -4.109 368 H ARG 62 H ARG 62 8.575 -16.414 -5.881 369 HA ARG 62 HA ARG 62 6.966 -14.096 -5.969 370 HB3 ARG 62 1HB ARG 62 6.534 -16.076 -7.328 371 HG3 ARG 62 1HG ARG 62 5.466 -17.376 -4.776 372 HD3 ARG 62 1HD ARG 62 4.978 -19.316 -6.229 373 HE ARG 62 HE ARG 62 3.404 -17.425 -7.728 374 HH11 ARG 62 1HH1 ARG 62 3.729 -18.733 -4.449 375 HH12 ARG 62 2HH1 ARG 62 2.097 -18.319 -4.031 376 HH21 ARG 62 1HH2 ARG 62 1.330 -16.857 -7.086 377 HH22 ARG 62 2HH2 ARG 62 0.764 -17.274 -5.502 378 H ARG 63 H ARG 63 5.194 -13.358 -4.799 379 HA ARG 63 HA ARG 63 4.261 -14.477 -2.357 380 HB3 ARG 63 1HB ARG 63 5.772 -11.844 -2.047 381 HG3 ARG 63 1HG ARG 63 4.204 -13.621 -0.200 382 HD3 ARG 63 1HD ARG 63 6.411 -14.034 0.699 383 HE ARG 63 HE ARG 63 6.835 -11.124 0.366 384 HH11 ARG 63 1HH1 ARG 63 7.988 -13.902 2.269 385 HH12 ARG 63 2HH1 ARG 63 9.567 -13.185 2.449 386 HH21 ARG 63 1HH2 ARG 63 8.768 -10.333 0.648 387 HH22 ARG 63 2HH2 ARG 63 9.986 -11.066 1.667 388 H LEU 64 H LEU 64 2.877 -12.477 -1.345 389 HA LEU 64 HA LEU 64 0.529 -12.263 -2.580 390 HB3 LEU 64 1HB LEU 64 1.899 -10.163 -0.904 391 HG LEU 64 HG LEU 64 -0.385 -9.413 -1.453 392 HD11 LEU 64 1HD1 LEU 64 -1.544 -11.429 -2.042 393 HD12 LEU 64 2HD1 LEU 64 -2.332 -10.860 -0.571 394 HD13 LEU 64 3HD1 LEU 64 -1.169 -12.187 -0.473 395 HD21 LEU 64 3HD2 LEU 64 -1.120 -9.032 0.795 396 HD22 LEU 64 1HD2 LEU 64 0.641 -9.160 0.869 397 HD23 LEU 64 2HD2 LEU 64 -0.347 -10.534 1.371 398 H GLY 65 H GLY 65 3.085 -9.781 -3.314 399 HA2 GLY 65 1HA GLY 65 1.434 -8.032 -4.811 400 HA3 GLY 65 2HA GLY 65 3.186 -8.192 -5.010 401 H ARG 66 H ARG 66 2.867 -11.092 -5.852 402 HA ARG 66 HA ARG 66 2.343 -10.710 -8.693 403 HB3 ARG 66 1HB ARG 66 2.775 -13.247 -7.056 404 HG3 ARG 66 1HG ARG 66 2.907 -12.693 -10.059 405 HD3 ARG 66 1HD ARG 66 3.838 -15.103 -8.437 406 HE ARG 66 HE ARG 66 2.651 -15.232 -10.929 407 HH11 ARG 66 1HH1 ARG 66 5.941 -15.932 -9.830 408 HH12 ARG 66 2HH1 ARG 66 6.148 -17.211 -10.988 409 HH21 ARG 66 1HH2 ARG 66 3.002 -16.850 -12.426 410 HH22 ARG 66 2HH2 ARG 66 4.512 -17.704 -12.455 411 H SER 67 H SER 67 0.529 -12.091 -5.939 412 HA SER 67 HA SER 67 -1.741 -13.019 -7.519 413 HB3 SER 67 1HB SER 67 -2.725 -13.480 -5.357 414 HG SER 67 HG SER 67 -1.088 -14.779 -4.458 415 H PHE 68 H PHE 68 -0.822 -9.944 -6.063 416 HA PHE 68 HA PHE 68 -3.446 -8.703 -6.544 417 HB3 PHE 68 1HB PHE 68 -1.761 -6.624 -6.232 418 HD1 PHE 68 HD1 PHE 68 -1.685 -9.186 -3.530 419 HD2 PHE 68 HD2 PHE 68 -3.670 -5.772 -5.181 420 HE1 PHE 68 HE1 PHE 68 -2.927 -8.909 -1.405 421 HE2 PHE 68 HE2 PHE 68 -4.947 -5.475 -3.045 422 HZ PHE 68 HZ PHE 68 -4.550 -7.028 -1.155 423 H GLN 69 H GLN 69 -0.788 -9.587 -8.508 424 HA GLN 69 HA GLN 69 -0.072 -9.107 -10.588 425 HB3 GLN 69 1HB GLN 69 -1.627 -8.457 -12.300 426 HG3 GLN 69 1HG GLN 69 -1.728 -10.833 -11.205 427 HE21 GLN 69 2HE2 GLN 69 -4.062 -8.684 -9.711 428 HE22 GLN 69 1HE2 GLN 69 -5.110 -9.983 -9.165 429 H VAL 70 H VAL 70 0.842 -7.373 -8.728 430 HA VAL 70 HA VAL 70 0.433 -4.622 -9.046 431 HB VAL 70 HB VAL 70 2.775 -6.300 -8.153 432 HG11 VAL 70 1HG1 VAL 70 3.959 -4.375 -8.976 433 HG12 VAL 70 2HG1 VAL 70 2.738 -3.266 -8.309 434 HG13 VAL 70 3HG1 VAL 70 3.824 -4.186 -7.234 435 HG21 VAL 70 3HG2 VAL 70 2.170 -5.450 -5.977 436 HG22 VAL 70 1HG2 VAL 70 0.992 -4.309 -6.666 437 HG23 VAL 70 2HG2 VAL 70 0.703 -6.061 -6.746 438 H LYS 71 H LYS 71 1.092 -3.028 -10.344 439 HA LYS 71 HA LYS 71 2.074 -3.608 -13.030 440 HB3 LYS 71 1HB LYS 71 1.758 -1.192 -13.358 441 HG3 LYS 71 1HG LYS 71 -0.559 -0.887 -12.942 442 HD3 LYS 71 1HD LYS 71 0.214 -2.668 -14.709 443 HE3 LYS 71 1HE LYS 71 -1.376 -4.360 -12.714 444 HZ1 LYS 71 3HZ LYS 71 -1.873 -4.901 -15.031 445 HZ2 LYS 71 1HZ LYS 71 -1.013 -6.109 -14.341 446 HZ3 LYS 71 2HZ LYS 71 -0.284 -5.080 -15.378 447 H LEU 72 H LEU 72 3.325 -0.679 -11.690 448 HA LEU 72 HA LEU 72 6.115 -1.514 -12.037 449 HB3 LEU 72 1HB LEU 72 5.212 1.010 -10.616 450 HG LEU 72 HG LEU 72 7.707 0.321 -10.928 451 HD11 LEU 72 1HD1 LEU 72 7.094 1.194 -13.789 452 HD12 LEU 72 2HD1 LEU 72 7.540 -0.457 -13.281 453 HD13 LEU 72 3HD1 LEU 72 8.701 0.865 -13.121 454 HD21 LEU 72 3HD2 LEU 72 6.745 3.001 -11.988 455 HD22 LEU 72 1HD2 LEU 72 8.395 2.627 -11.430 456 HD23 LEU 72 2HD2 LEU 72 7.064 2.566 -10.287 457 H TRP 73 H TRP 73 7.569 -1.726 -10.268 458 HA TRP 73 HA TRP 73 6.562 -3.412 -8.261 459 HB3 TRP 73 1HB TRP 73 9.151 -1.897 -8.250 460 HD1 TRP 73 HD TRP 73 8.371 -5.645 -7.891 461 HE1 TRP 73 HE1 TRP 73 9.411 -6.499 -5.729 462 HE3 TRP 73 HE3 TRP 73 10.015 -1.180 -6.030 463 HZ2 TRP 73 HZ2 TRP 73 11.010 -5.397 -3.546 464 HZ3 TRP 73 HZ3 TRP 73 11.259 -1.094 -3.880 465 HH2 TRP 73 HH TRP 73 11.829 -3.189 -2.682 466 HA PRO 74 HA PRO 74 6.548 -0.053 -4.976 467 HB3 PRO 74 1HB PRO 74 8.289 1.453 -5.224 468 HG3 PRO 74 1HG PRO 74 8.775 2.440 -7.370 469 HD3 PRO 74 1HD PRO 74 8.941 0.130 -7.679 470 H THR 75 H THR 75 4.397 -0.712 -5.168 471 HA THR 75 HA THR 75 2.392 1.264 -6.155 472 HB THR 75 HB THR 75 2.594 -1.686 -6.846 473 HG1 THR 75 HG1 THR 75 3.385 -0.671 -8.494 474 HG21 THR 75 3HG2 THR 75 0.150 0.092 -7.211 475 HG22 THR 75 1HG2 THR 75 0.241 -1.407 -6.257 476 HG23 THR 75 2HG2 THR 75 0.403 -1.477 -8.015 477 H PHE 76 H PHE 76 0.517 1.254 -5.031 478 HA PHE 76 HA PHE 76 0.180 -0.706 -2.852 479 HB3 PHE 76 1HB PHE 76 1.024 0.892 -1.446 480 HD1 PHE 76 HD2 PHE 76 2.784 2.014 -2.753 481 HD2 PHE 76 HD1 PHE 76 -1.245 3.518 -2.382 482 HE1 PHE 76 HE2 PHE 76 3.541 4.237 -3.559 483 HE2 PHE 76 HE1 PHE 76 -0.480 5.725 -3.133 484 HZ PHE 76 HZ PHE 76 1.895 6.070 -3.818 485 H VAL 77 H VAL 77 -1.745 -1.440 -2.635 486 HA VAL 77 HA VAL 77 -3.882 -0.478 -4.485 487 HB VAL 77 HB VAL 77 -3.431 -3.260 -3.348 488 HG11 VAL 77 1HG1 VAL 77 -5.263 -2.398 -5.632 489 HG12 VAL 77 2HG1 VAL 77 -5.126 -4.013 -4.937 490 HG13 VAL 77 3HG1 VAL 77 -5.816 -2.695 -3.980 491 HG21 VAL 77 3HG2 VAL 77 -1.619 -2.724 -4.910 492 HG22 VAL 77 1HG2 VAL 77 -2.725 -3.864 -5.680 493 HG23 VAL 77 2HG2 VAL 77 -2.767 -2.158 -6.127 494 H PHE 78 H PHE 78 -5.719 0.295 -3.649 495 HA PHE 78 HA PHE 78 -6.077 0.317 -0.713 496 HB3 PHE 78 1HB PHE 78 -7.860 1.961 -1.224 497 HD1 PHE 78 HD2 PHE 78 -5.100 2.400 -3.738 498 HD2 PHE 78 HD1 PHE 78 -6.675 3.623 0.102 499 HE1 PHE 78 HE2 PHE 78 -3.309 4.081 -3.521 500 HE2 PHE 78 HE1 PHE 78 -4.904 5.370 0.243 501 HZ PHE 78 HZ PHE 78 -3.261 5.611 -1.615 502 H LEU 79 H LEU 79 -7.239 -1.258 0.171 503 HA LEU 79 HA LEU 79 -9.431 -2.581 -1.342 504 HB3 LEU 79 1HB LEU 79 -9.041 -4.211 0.751 505 HG LEU 79 HG LEU 79 -8.995 -4.930 -1.540 506 HD11 LEU 79 1HD1 LEU 79 -6.997 -4.952 -2.895 507 HD12 LEU 79 2HD1 LEU 79 -6.089 -4.048 -1.629 508 HD13 LEU 79 3HD1 LEU 79 -7.415 -3.293 -2.525 509 HD21 LEU 79 3HD2 LEU 79 -8.288 -6.441 0.245 510 HD22 LEU 79 1HD2 LEU 79 -6.612 -5.859 0.060 511 HD23 LEU 79 2HD2 LEU 79 -7.393 -6.767 -1.259 512 H ARG 80 H ARG 80 -11.359 -3.008 -0.269 513 HA ARG 80 HA ARG 80 -11.955 -2.075 2.401 514 HB3 ARG 80 1HB ARG 80 -13.482 -0.751 0.126 515 HG3 ARG 80 1HG ARG 80 -13.263 -0.189 3.112 516 HD3 ARG 80 1HD ARG 80 -14.646 1.426 0.917 517 HE ARG 80 HE ARG 80 -15.618 1.284 3.380 518 HH11 ARG 80 1HH1 ARG 80 -13.665 3.969 2.054 519 HH12 ARG 80 2HH1 ARG 80 -14.354 5.090 3.177 520 HH21 ARG 80 1HH2 ARG 80 -16.450 2.821 4.753 521 HH22 ARG 80 2HH2 ARG 80 -15.899 4.462 4.659 522 H ASP 81 H ASP 81 -13.538 -3.349 3.226 523 HA ASP 81 HA ASP 81 -14.798 -5.213 3.469 524 HB3 ASP 81 1HB ASP 81 -15.965 -4.667 0.724 525 H GLY 82 H GLY 82 -12.135 -5.438 2.141 526 HA2 GLY 82 1HA GLY 82 -10.784 -7.234 1.531 527 HA3 GLY 82 2HA GLY 82 -12.223 -8.251 1.320 528 H ARG 83 H ARG 83 -12.895 -5.587 -0.515 529 HA ARG 83 HA ARG 83 -11.867 -6.808 -3.030 530 HB3 ARG 83 1HB ARG 83 -14.197 -4.904 -2.459 531 HG3 ARG 83 1HG ARG 83 -13.354 -6.326 -5.035 532 HD3 ARG 83 1HD ARG 83 -15.315 -5.072 -6.017 533 HE ARG 83 HE ARG 83 -16.615 -6.826 -4.059 534 HH11 ARG 83 1HH1 ARG 83 -14.766 -6.816 -7.079 535 HH12 ARG 83 2HH1 ARG 83 -15.256 -8.438 -7.485 536 HH21 ARG 83 1HH2 ARG 83 -17.260 -8.880 -4.686 537 HH22 ARG 83 2HH2 ARG 83 -16.680 -9.564 -6.176 538 H GLU 84 H GLU 84 -10.708 -5.579 -4.422 539 HA GLU 84 HA GLU 84 -9.319 -3.181 -3.557 540 HB3 GLU 84 1HB GLU 84 -9.547 -4.595 -6.230 541 HG3 GLU 84 1HG GLU 84 -7.724 -2.261 -5.577 542 H VAL 85 H VAL 85 -10.065 -1.205 -3.475 543 HA VAL 85 HA VAL 85 -12.426 -0.348 -5.110 544 HB VAL 85 HB VAL 85 -12.396 1.686 -3.662 545 HG11 VAL 85 1HG1 VAL 85 -12.757 -0.975 -2.228 546 HG12 VAL 85 2HG1 VAL 85 -13.514 0.587 -1.801 547 HG13 VAL 85 3HG1 VAL 85 -13.936 -0.217 -3.323 548 HG21 VAL 85 3HG2 VAL 85 -11.246 1.729 -1.549 549 HG22 VAL 85 1HG2 VAL 85 -10.601 0.111 -1.779 550 HG23 VAL 85 2HG2 VAL 85 -10.014 1.444 -2.788 551 H ALA 86 H ALA 86 -8.982 0.043 -4.844 552 HA ALA 86 HA ALA 86 -8.687 1.458 -7.319 553 HB1 ALA 86 3HB ALA 86 -9.453 3.403 -6.025 554 HB2 ALA 86 1HB ALA 86 -8.335 2.982 -4.702 555 HB3 ALA 86 2HB ALA 86 -7.718 3.563 -6.255 556 H ARG 87 H ARG 87 -6.336 2.303 -7.452 557 HA ARG 87 HA ARG 87 -4.483 1.405 -5.451 558 HB3 ARG 87 1HB ARG 87 -4.507 -0.664 -6.642 559 HG3 ARG 87 1HG ARG 87 -4.009 0.977 -9.148 560 HD3 ARG 87 1HD ARG 87 -3.366 -1.918 -8.534 561 HE ARG 87 HE ARG 87 -4.194 -2.356 -10.621 562 HH11 ARG 87 1HH1 ARG 87 -2.577 0.777 -10.910 563 HH12 ARG 87 2HH1 ARG 87 -2.822 0.838 -12.631 564 HH21 ARG 87 1HH2 ARG 87 -4.462 -2.218 -12.823 565 HH22 ARG 87 2HH2 ARG 87 -3.894 -0.827 -13.692 566 H VAL 88 H VAL 88 -2.452 2.367 -5.658 567 HA VAL 88 HA VAL 88 -2.185 4.518 -7.762 568 HB VAL 88 HB VAL 88 -1.441 4.596 -4.844 569 HG11 VAL 88 1HG1 VAL 88 -0.715 6.614 -7.036 570 HG12 VAL 88 2HG1 VAL 88 -0.498 6.896 -5.298 571 HG13 VAL 88 3HG1 VAL 88 0.437 5.636 -6.107 572 HG21 VAL 88 3HG2 VAL 88 -2.839 6.498 -4.593 573 HG22 VAL 88 1HG2 VAL 88 -3.152 6.577 -6.361 574 HG23 VAL 88 2HG2 VAL 88 -3.791 5.242 -5.391 575 H VAL 89 H VAL 89 -0.523 4.241 -9.000 576 HA VAL 89 HA VAL 89 1.752 2.430 -8.249 577 HB VAL 89 HB VAL 89 0.788 3.356 -10.989 578 HG11 VAL 89 1HG1 VAL 89 2.961 1.347 -10.279 579 HG12 VAL 89 2HG1 VAL 89 2.338 1.630 -11.905 580 HG13 VAL 89 3HG1 VAL 89 3.194 2.921 -11.061 581 HG21 VAL 89 3HG2 VAL 89 -0.813 1.762 -10.025 582 HG22 VAL 89 1HG2 VAL 89 0.045 1.057 -11.395 583 HG23 VAL 89 2HG2 VAL 89 0.499 0.595 -9.740 584 H ARG 90 H ARG 90 3.817 3.304 -8.267 585 HA ARG 90 HA ARG 90 5.347 4.879 -7.895 586 HB3 ARG 90 1HB ARG 90 4.574 5.478 -10.757 587 HG3 ARG 90 1HG ARG 90 6.467 6.816 -10.127 588 HD3 ARG 90 1HD ARG 90 7.524 4.311 -8.821 589 HE ARG 90 HE ARG 90 9.590 4.772 -9.607 590 HH11 ARG 90 1HH1 ARG 90 8.116 7.962 -9.113 591 HH12 ARG 90 2HH1 ARG 90 9.610 8.773 -9.452 592 HH21 ARG 90 1HH2 ARG 90 11.421 5.841 -9.979 593 HH22 ARG 90 2HH2 ARG 90 11.485 7.588 -9.934 594 HA PRO 91 HA PRO 91 2.546 8.501 -6.847 595 HB3 PRO 91 1HB PRO 91 2.557 8.016 -4.670 596 HG3 PRO 91 1HG PRO 91 4.322 6.744 -3.673 597 HD3 PRO 91 1HD PRO 91 3.604 5.520 -5.600 598 H GLY 92 H GLY 92 2.866 10.441 -7.810 599 HA2 GLY 92 1HA GLY 92 5.546 11.306 -8.658 600 HA3 GLY 92 2HA GLY 92 3.980 12.048 -9.067 601 H SER 93 H SER 93 3.146 12.373 -6.311 602 HA SER 93 HA SER 93 4.930 13.820 -4.659 603 HB3 SER 93 1HB SER 93 2.990 15.618 -6.161 604 HG SER 93 HG SER 93 4.271 17.240 -5.095 605 H ALA 94 H ALA 94 3.678 14.882 -2.831 606 HA ALA 94 HA ALA 94 1.718 13.146 -1.762 607 HB1 ALA 94 3HB ALA 94 2.372 16.047 -1.091 608 HB2 ALA 94 1HB ALA 94 1.511 14.910 -0.039 609 HB3 ALA 94 2HB ALA 94 3.220 14.631 -0.440 610 H SER 95 H SER 95 1.273 16.092 -3.723 611 HA SER 95 HA SER 95 -1.532 16.425 -3.413 612 HB3 SER 95 1HB SER 95 -0.168 18.053 -4.551 613 HG SER 95 HG SER 95 0.735 17.553 -6.617 614 H VAL 96 H VAL 96 0.238 14.055 -5.390 615 HA VAL 96 HA VAL 96 -2.178 13.091 -6.783 616 HB VAL 96 HB VAL 96 0.641 11.901 -6.682 617 HG11 VAL 96 1HG1 VAL 96 -1.684 11.374 -8.566 618 HG12 VAL 96 2HG1 VAL 96 -0.028 10.751 -8.777 619 HG13 VAL 96 3HG1 VAL 96 -0.985 10.233 -7.390 620 HG21 VAL 96 3HG2 VAL 96 0.741 14.169 -7.658 621 HG22 VAL 96 1HG2 VAL 96 0.966 12.948 -8.906 622 HG23 VAL 96 2HG2 VAL 96 -0.605 13.756 -8.758 623 H LEU 97 H LEU 97 -0.041 11.998 -4.105 624 HA LEU 97 HA LEU 97 -1.439 9.495 -3.738 625 HB3 LEU 97 1HB LEU 97 -0.010 10.502 -1.383 626 HG LEU 97 HG LEU 97 0.616 8.296 -3.434 627 HD11 LEU 97 1HD1 LEU 97 1.749 8.693 -0.640 628 HD12 LEU 97 2HD1 LEU 97 2.606 8.921 -2.198 629 HD13 LEU 97 3HD1 LEU 97 2.039 7.330 -1.752 630 HD21 LEU 97 3HD2 LEU 97 -0.271 6.929 -1.333 631 HD22 LEU 97 1HD2 LEU 97 -1.435 7.652 -2.473 632 HD23 LEU 97 2HD2 LEU 97 -1.095 8.445 -0.952 633 H GLU 98 H GLU 98 -1.575 12.580 -1.909 634 HA GLU 98 HA GLU 98 -3.673 11.924 -0.157 635 HB3 GLU 98 1HB GLU 98 -4.137 14.394 -0.150 636 HG3 GLU 98 1HG GLU 98 -1.175 13.725 0.104 637 H GLU 99 H GLU 99 -3.914 13.237 -3.494 638 HA GLU 99 HA GLU 99 -6.701 13.587 -3.663 639 HB3 GLU 99 1HB GLU 99 -4.606 12.818 -5.727 640 HG3 GLU 99 1HG GLU 99 -7.537 13.366 -6.155 641 H ALA 100 H ALA 100 -4.801 10.581 -4.040 642 HA ALA 100 HA ALA 100 -7.182 9.002 -4.694 643 HB1 ALA 100 3HB ALA 100 -4.963 8.384 -5.520 644 HB2 ALA 100 1HB ALA 100 -4.377 8.189 -3.851 645 HB3 ALA 100 2HB ALA 100 -5.621 7.091 -4.475 646 H PHE 101 H PHE 101 -5.227 9.573 -1.712 647 HA PHE 101 HA PHE 101 -6.541 7.671 -0.069 648 HB3 PHE 101 1HB PHE 101 -5.926 9.616 1.676 649 HD1 PHE 101 HD1 PHE 101 -3.406 7.954 -0.707 650 HD2 PHE 101 HD2 PHE 101 -5.215 8.053 3.231 651 HE1 PHE 101 HE1 PHE 101 -1.813 6.286 0.083 652 HE2 PHE 101 HE2 PHE 101 -3.585 6.356 3.993 653 HZ PHE 101 HZ PHE 101 -1.864 5.483 2.392 654 H GLU 102 H GLU 102 -7.315 11.159 -0.494 655 HA GLU 102 HA GLU 102 -9.636 11.115 1.156 656 HB3 GLU 102 1HB GLU 102 -8.675 13.207 0.642 657 HG3 GLU 102 1HG GLU 102 -8.446 12.377 -2.066 658 H SER 103 H SER 103 -9.259 10.259 -2.269 659 HA SER 103 HA SER 103 -12.073 10.153 -2.854 660 HB3 SER 103 1HB SER 103 -9.818 8.612 -4.197 661 HG SER 103 HG SER 103 -11.250 8.907 -6.021 662 H LEU 104 H LEU 104 -9.828 7.811 -1.395 663 HA LEU 104 HA LEU 104 -11.898 5.666 -1.501 664 HB3 LEU 104 1HB LEU 104 -10.039 4.257 -0.538 665 HG LEU 104 HG LEU 104 -9.045 3.700 -2.502 666 HD11 LEU 104 1HD1 LEU 104 -10.666 3.759 -4.254 667 HD12 LEU 104 2HD1 LEU 104 -11.341 5.300 -3.693 668 HD13 LEU 104 3HD1 LEU 104 -11.586 3.797 -2.759 669 HD21 LEU 104 3HD2 LEU 104 -7.781 5.765 -2.871 670 HD22 LEU 104 1HD2 LEU 104 -9.253 6.521 -3.577 671 HD23 LEU 104 2HD2 LEU 104 -8.477 5.170 -4.370 672 H VAL 105 H VAL 105 -10.444 7.814 0.848 673 HA VAL 105 HA VAL 105 -11.631 6.482 3.119 674 HB VAL 105 HB VAL 105 -9.656 8.289 2.907 675 HG11 VAL 105 1HG1 VAL 105 -11.185 10.169 2.298 676 HG12 VAL 105 2HG1 VAL 105 -11.931 10.047 3.901 677 HG13 VAL 105 3HG1 VAL 105 -10.229 10.472 3.754 678 HG21 VAL 105 3HG2 VAL 105 -10.184 6.887 4.836 679 HG22 VAL 105 1HG2 VAL 105 -9.652 8.516 5.268 680 HG23 VAL 105 2HG2 VAL 105 -11.384 8.087 5.372 681 H GLY 106 H GLY 106 -12.766 8.845 0.809 682 HA2 GLY 106 1HA GLY 106 -15.079 9.088 0.330 683 HA3 GLY 106 2HA GLY 106 -15.475 8.921 2.058 684 H GLU 107 H GLU 107 -12.945 10.876 2.276 685 HA GLU 107 HA GLU 107 -14.316 13.312 2.739 686 HB3 GLU 107 1HB GLU 107 -11.788 14.178 2.352 687 HG3 GLU 107 1HG GLU 107 -11.235 13.269 4.674 688 H GLY 108 H GLY 108 -12.931 12.073 -0.259 689 HA2 GLY 108 1HA GLY 108 -12.971 14.505 -1.776 690 HA3 GLY 108 2HA GLY 108 -13.022 12.851 -2.428 Start of MODEL 18 1 H1 MET 1 H MET 1 4.152 3.973 10.323 2 HA MET 1 HA MET 1 5.766 3.389 8.505 3 HB3 MET 1 1HB MET 1 6.051 5.724 7.555 4 HG3 MET 1 1HG MET 1 3.640 6.218 7.357 5 HE1 MET 1 3HE MET 1 4.686 3.821 4.452 6 HE2 MET 1 1HE MET 1 4.436 5.501 4.971 7 HE3 MET 1 2HE MET 1 5.809 4.563 5.596 8 H LYS 2 H LYS 2 7.152 4.905 11.281 9 HA LYS 2 HA LYS 2 9.916 4.951 10.241 10 HB3 LYS 2 1HB LYS 2 10.483 5.203 12.662 11 HG3 LYS 2 1HG LYS 2 8.280 7.082 11.672 12 HD3 LYS 2 1HD LYS 2 8.774 7.377 14.068 13 HE3 LYS 2 1HE LYS 2 11.157 6.632 14.136 14 HZ1 LYS 2 3HZ LYS 2 12.838 8.250 13.492 15 HZ2 LYS 2 1HZ LYS 2 11.715 9.254 12.871 16 HZ3 LYS 2 2HZ LYS 2 12.000 7.808 12.163 17 H THR 3 H THR 3 7.752 2.599 11.582 18 HA THR 3 HA THR 3 9.658 0.487 12.172 19 HB THR 3 HB THR 3 6.679 0.324 11.578 20 HG1 THR 3 HG1 THR 3 6.513 0.507 13.844 21 HG21 THR 3 3HG2 THR 3 7.726 -1.909 11.570 22 HG22 THR 3 1HG2 THR 3 6.814 -1.697 13.068 23 HG23 THR 3 2HG2 THR 3 8.584 -1.533 13.084 24 H ARG 4 H ARG 4 10.296 -1.210 10.932 25 HA ARG 4 HA ARG 4 10.661 -0.731 8.153 26 HB3 ARG 4 1HB ARG 4 11.805 -2.936 8.187 27 HG3 ARG 4 1HG ARG 4 12.438 -1.251 10.656 28 HD3 ARG 4 1HD ARG 4 14.744 -2.109 10.295 29 HE ARG 4 HE ARG 4 12.696 -3.441 11.607 30 HH11 ARG 4 1HH1 ARG 4 15.742 -4.466 10.109 31 HH12 ARG 4 2HH1 ARG 4 15.881 -5.859 11.140 32 HH21 ARG 4 1HH2 ARG 4 12.949 -5.246 12.906 33 HH22 ARG 4 2HH2 ARG 4 14.329 -6.279 12.712 34 H TYR 5 H TYR 5 10.321 -2.377 6.456 35 HA TYR 5 HA TYR 5 7.643 -3.332 6.024 36 HB3 TYR 5 1HB TYR 5 9.157 -4.825 4.357 37 HD1 TYR 5 HD1 TYR 5 9.431 -1.068 4.483 38 HD2 TYR 5 HD2 TYR 5 7.725 -4.551 2.635 39 HE1 TYR 5 HE1 TYR 5 8.403 0.372 2.704 40 HE2 TYR 5 HE2 TYR 5 6.684 -3.123 0.875 41 HH TYR 5 HH TYR 5 7.288 0.407 0.715 42 H SER 6 H SER 6 7.007 -5.647 5.723 43 HA SER 6 HA SER 6 8.504 -7.559 7.480 44 HB3 SER 6 1HB SER 6 5.501 -7.143 7.467 45 HG SER 6 HG SER 6 5.835 -8.461 9.463 46 H ALA 7 H ALA 7 8.670 -9.593 6.817 47 HA ALA 7 HA ALA 7 7.457 -10.543 4.322 48 HB1 ALA 7 3HB ALA 7 8.831 -12.524 4.790 49 HB2 ALA 7 1HB ALA 7 9.795 -11.052 4.978 50 HB3 ALA 7 2HB ALA 7 9.214 -11.920 6.412 51 H GLU 8 H GLU 8 6.327 -10.391 7.528 52 HA GLU 8 HA GLU 8 5.079 -13.029 7.625 53 HB3 GLU 8 1HB GLU 8 4.351 -12.322 9.883 54 HG3 GLU 8 1HG GLU 8 6.514 -11.808 10.935 55 H ALA 9 H ALA 9 4.193 -10.998 5.605 56 HA ALA 9 HA ALA 9 1.514 -10.165 6.227 57 HB1 ALA 9 3HB ALA 9 1.360 -9.707 3.784 58 HB2 ALA 9 1HB ALA 9 2.827 -9.017 4.515 59 HB3 ALA 9 2HB ALA 9 2.918 -10.514 3.546 60 HA PRO 10 HA PRO 10 -0.877 -13.846 5.249 61 HB3 PRO 10 1HB PRO 10 -2.672 -12.602 6.097 62 HG3 PRO 10 1HG PRO 10 -2.986 -10.300 5.458 63 HD3 PRO 10 1HD PRO 10 -0.885 -10.518 6.502 64 H ALA 11 H ALA 11 -2.004 -14.945 3.497 65 HA ALA 11 HA ALA 11 -1.113 -14.291 0.750 66 HB1 ALA 11 3HB ALA 11 -2.360 -16.364 0.177 67 HB2 ALA 11 1HB ALA 11 -1.212 -16.652 1.504 68 HB3 ALA 11 2HB ALA 11 -2.944 -16.480 1.854 69 H ARG 12 H ARG 12 -2.706 -13.821 -0.962 70 HA ARG 12 HA ARG 12 -4.395 -11.718 -0.199 71 HB3 ARG 12 1HB ARG 12 -4.696 -13.244 -2.823 72 HG3 ARG 12 1HG ARG 12 -5.046 -10.364 -1.872 73 HD3 ARG 12 1HD ARG 12 -3.900 -10.588 -4.123 74 HE ARG 12 HE ARG 12 -4.921 -11.737 -5.759 75 HH11 ARG 12 1HH1 ARG 12 -7.586 -10.397 -3.849 76 HH12 ARG 12 2HH1 ARG 12 -8.784 -10.945 -4.979 77 HH21 ARG 12 1HH2 ARG 12 -6.505 -12.526 -7.077 78 HH22 ARG 12 2HH2 ARG 12 -8.178 -12.154 -6.778 79 H ASP 13 H ASP 13 -5.261 -15.051 -0.965 80 HA ASP 13 HA ASP 13 -8.080 -14.884 -0.656 81 HB3 ASP 13 1HB ASP 13 -7.928 -17.359 -0.310 82 H GLU 14 H GLU 14 -5.634 -14.856 1.845 83 HA GLU 14 HA GLU 14 -7.590 -15.479 4.000 84 HB3 GLU 14 1HB GLU 14 -4.601 -14.887 4.085 85 HG3 GLU 14 1HG GLU 14 -6.539 -15.833 6.240 86 H LEU 15 H LEU 15 -5.620 -12.805 2.690 87 HA LEU 15 HA LEU 15 -6.471 -10.725 4.454 88 HB3 LEU 15 1HB LEU 15 -5.380 -10.803 1.607 89 HG LEU 15 HG LEU 15 -5.980 -8.491 3.410 90 HD11 LEU 15 1HD1 LEU 15 -3.524 -8.597 3.604 91 HD12 LEU 15 2HD1 LEU 15 -4.043 -7.208 2.662 92 HD13 LEU 15 3HD1 LEU 15 -3.376 -8.636 1.837 93 HD21 LEU 15 3HD2 LEU 15 -5.542 -8.816 0.395 94 HD22 LEU 15 1HD2 LEU 15 -5.975 -7.302 1.209 95 HD23 LEU 15 2HD2 LEU 15 -7.103 -8.661 1.228 96 H ASP 16 H ASP 16 -7.946 -12.103 1.534 97 HA ASP 16 HA ASP 16 -10.001 -10.314 0.941 98 HB3 ASP 16 1HB ASP 16 -9.787 -13.335 0.887 99 H ARG 17 H ARG 17 -9.696 -12.365 3.771 100 HA ARG 17 HA ARG 17 -12.516 -12.278 4.509 101 HB3 ARG 17 1HB ARG 17 -11.806 -13.435 6.504 102 HG3 ARG 17 1HG ARG 17 -10.731 -15.421 5.644 103 HD3 ARG 17 1HD ARG 17 -12.340 -14.345 3.303 104 HE ARG 17 HE ARG 17 -12.088 -17.113 4.421 105 HH11 ARG 17 1HH1 ARG 17 -12.131 -15.081 1.473 106 HH12 ARG 17 2HH1 ARG 17 -11.973 -16.481 0.462 107 HH21 ARG 17 1HH2 ARG 17 -11.893 -18.811 3.008 108 HH22 ARG 17 2HH2 ARG 17 -11.852 -18.538 1.300 109 H LEU 18 H LEU 18 -9.939 -10.020 4.816 110 HA LEU 18 HA LEU 18 -10.639 -8.927 7.385 111 HB3 LEU 18 1HB LEU 18 -8.465 -8.546 6.196 112 HG LEU 18 HG LEU 18 -9.199 -7.457 4.026 113 HD11 LEU 18 1HD1 LEU 18 -10.962 -5.875 4.653 114 HD12 LEU 18 2HD1 LEU 18 -9.590 -4.983 4.040 115 HD13 LEU 18 3HD1 LEU 18 -9.870 -5.060 5.787 116 HD21 LEU 18 3HD2 LEU 18 -7.492 -5.722 5.844 117 HD22 LEU 18 1HD2 LEU 18 -7.395 -5.804 4.070 118 HD23 LEU 18 2HD2 LEU 18 -6.911 -7.202 5.052 119 H ALA 19 H ALA 19 -11.311 -6.657 7.777 120 HA ALA 19 HA ALA 19 -13.169 -5.503 5.841 121 HB1 ALA 19 3HB ALA 19 -14.095 -6.241 8.647 122 HB2 ALA 19 1HB ALA 19 -15.012 -5.278 7.456 123 HB3 ALA 19 2HB ALA 19 -14.634 -6.985 7.126 124 H GLY 20 H GLY 20 -13.285 -3.365 5.961 125 HA2 GLY 20 1HA GLY 20 -13.100 -1.188 7.023 126 HA3 GLY 20 2HA GLY 20 -11.787 -1.790 8.040 127 HA PRO 21 HA PRO 21 -10.304 0.060 3.900 128 HB3 PRO 21 1HB PRO 21 -11.158 2.178 4.130 129 HG3 PRO 21 1HG PRO 21 -11.507 3.144 6.279 130 HD3 PRO 21 1HD PRO 21 -12.633 1.087 6.411 131 H THR 22 H THR 22 -8.387 -0.740 3.428 132 HA THR 22 HA THR 22 -6.038 -0.411 5.252 133 HB THR 22 HB THR 22 -7.002 -3.093 4.162 134 HG1 THR 22 HG1 THR 22 -8.112 -2.316 6.006 135 HG21 THR 22 3HG2 THR 22 -4.537 -3.035 4.205 136 HG22 THR 22 1HG2 THR 22 -5.129 -4.008 5.561 137 HG23 THR 22 2HG2 THR 22 -4.562 -2.350 5.849 138 H LEU 23 H LEU 23 -4.328 0.201 4.104 139 HA LEU 23 HA LEU 23 -4.279 -0.241 1.163 140 HB3 LEU 23 1HB LEU 23 -2.533 1.439 2.991 141 HG LEU 23 HG LEU 23 -1.345 1.002 0.907 142 HD11 LEU 23 1HD1 LEU 23 -4.010 1.575 -0.299 143 HD12 LEU 23 2HD1 LEU 23 -2.794 0.357 -0.705 144 HD13 LEU 23 3HD1 LEU 23 -2.571 2.025 -1.219 145 HD21 LEU 23 3HD2 LEU 23 -1.094 3.292 0.104 146 HD22 LEU 23 1HD2 LEU 23 -1.170 3.220 1.869 147 HD23 LEU 23 2HD2 LEU 23 -2.596 3.749 0.934 148 H VAL 24 H VAL 24 -3.038 -1.794 0.297 149 HA VAL 24 HA VAL 24 -0.995 -3.174 2.000 150 HB VAL 24 HB VAL 24 -2.463 -4.212 -0.467 151 HG11 VAL 24 1HG1 VAL 24 -1.549 -6.411 0.186 152 HG12 VAL 24 2HG1 VAL 24 -0.235 -5.265 -0.123 153 HG13 VAL 24 3HG1 VAL 24 -0.681 -5.662 1.547 154 HG21 VAL 24 3HG2 VAL 24 -2.943 -4.927 2.457 155 HG22 VAL 24 1HG2 VAL 24 -4.040 -3.965 1.438 156 HG23 VAL 24 2HG2 VAL 24 -3.724 -5.654 1.033 157 H GLU 25 H GLU 25 0.998 -2.594 1.604 158 HA GLU 25 HA GLU 25 1.763 -1.460 -1.041 159 HB3 GLU 25 1HB GLU 25 2.872 -1.034 1.752 160 HG3 GLU 25 1HG GLU 25 3.477 0.513 -0.789 161 H PHE 26 H PHE 26 3.234 -2.462 -2.267 162 HA PHE 26 HA PHE 26 4.798 -4.732 -1.177 163 HB3 PHE 26 1HB PHE 26 4.961 -5.517 -3.425 164 HD1 PHE 26 HD1 PHE 26 3.188 -6.685 -1.727 165 HD2 PHE 26 HD2 PHE 26 2.185 -3.811 -4.777 166 HE1 PHE 26 HE1 PHE 26 0.795 -7.325 -1.556 167 HE2 PHE 26 HE2 PHE 26 -0.174 -4.550 -4.675 168 HZ PHE 26 HZ PHE 26 -0.896 -6.219 -2.996 169 H GLY 27 H GLY 27 6.948 -4.746 -1.204 170 HA2 GLY 27 1HA GLY 27 8.858 -3.473 -2.711 171 HA3 GLY 27 2HA GLY 27 8.397 -2.248 -1.537 172 H THR 28 H THR 28 10.506 -2.342 -0.653 173 HA THR 28 HA THR 28 10.739 -4.283 1.559 174 HB THR 28 HB THR 28 13.177 -4.515 1.230 175 HG1 THR 28 HG1 THR 28 13.968 -3.977 -0.874 176 HG21 THR 28 3HG2 THR 28 13.137 -6.204 -0.513 177 HG22 THR 28 1HG2 THR 28 11.634 -5.543 -1.178 178 HG23 THR 28 2HG2 THR 28 11.639 -6.295 0.418 179 H ASP 29 H ASP 29 12.783 -3.385 2.958 180 HA ASP 29 HA ASP 29 12.089 -0.559 3.477 181 HB3 ASP 29 1HB ASP 29 13.881 -2.442 5.047 182 H TRP 30 H TRP 30 14.215 -2.090 1.447 183 HA TRP 30 HA TRP 30 16.457 -0.154 1.856 184 HB3 TRP 30 1HB TRP 30 17.093 -2.219 2.734 185 HD1 TRP 30 HD TRP 30 15.780 -4.379 3.132 186 HE1 TRP 30 HE1 TRP 30 15.216 -6.471 1.762 187 HE3 TRP 30 HE3 TRP 30 17.363 -2.769 -1.468 188 HZ2 TRP 30 HZ2 TRP 30 15.321 -7.287 -1.021 189 HZ3 TRP 30 HZ3 TRP 30 17.115 -4.194 -3.447 190 HH2 TRP 30 HH TRP 30 16.079 -6.465 -3.253 191 H CYS 31 H CYS 31 14.238 -1.226 -0.619 192 HA CYS 31 HA CYS 31 15.986 -0.644 -2.861 193 HB2 CYS 31 1HB CYS 31 13.975 -2.031 -3.100 194 HB3 CYS 31 2HB CYS 31 12.947 -0.646 -2.696 195 H GLY 32 H GLY 32 16.189 1.214 -4.065 196 HA2 GLY 32 1HA GLY 32 15.964 3.802 -2.801 197 HA3 GLY 32 2HA GLY 32 16.423 3.493 -4.476 198 H HIS 33 H HIS 33 13.741 1.985 -4.873 199 HA HIS 33 HA HIS 33 11.987 4.270 -5.481 200 HB2 HIS 33 1HB HIS 33 11.583 1.238 -5.347 201 HB3 HIS 33 2HB HIS 33 10.270 2.371 -5.607 202 HD1 HIS 33 HD1 HIS 33 11.570 0.130 -7.718 203 HD2 HIS 33 HD2 HIS 33 11.404 4.325 -7.783 204 HE1 HIS 33 HE1 HIS 33 11.350 0.796 -10.163 205 H CYS 34 H CYS 34 12.080 1.750 -2.923 206 HA CYS 34 HA CYS 34 9.815 2.686 -1.470 207 HB3 CYS 34 1HB CYS 34 11.179 1.462 0.446 208 HG CYS 34 HG CYS 34 10.089 -0.697 -0.047 209 H GLN 35 H GLN 35 13.235 3.662 -1.240 210 HA GLN 35 HA GLN 35 12.938 5.099 1.199 211 HB3 GLN 35 1HB GLN 35 14.973 6.323 0.572 212 HG3 GLN 35 1HG GLN 35 16.552 4.624 0.211 213 HE21 GLN 35 2HE2 GLN 35 14.523 1.936 0.336 214 HE22 GLN 35 1HE2 GLN 35 14.581 1.729 2.091 215 H ALA 36 H ALA 36 11.954 5.909 -2.005 216 HA ALA 36 HA ALA 36 11.446 8.777 -1.443 217 HB1 ALA 36 3HB ALA 36 10.807 8.832 -3.812 218 HB2 ALA 36 1HB ALA 36 12.405 8.071 -3.621 219 HB3 ALA 36 2HB ALA 36 10.973 7.062 -3.928 220 H ALA 37 H ALA 37 9.595 5.739 -1.974 221 HA ALA 37 HA ALA 37 7.027 7.111 -1.844 222 HB1 ALA 37 3HB ALA 37 7.678 4.149 -1.800 223 HB2 ALA 37 1HB ALA 37 6.077 4.902 -2.071 224 HB3 ALA 37 2HB ALA 37 7.374 5.139 -3.251 225 H GLN 38 H GLN 38 9.041 5.349 0.512 226 HA GLN 38 HA GLN 38 7.140 4.923 2.554 227 HB3 GLN 38 1HB GLN 38 9.213 5.431 4.072 228 HG3 GLN 38 1HG GLN 38 9.388 3.138 2.065 229 HE21 GLN 38 2HE2 GLN 38 9.946 1.074 3.722 230 HE22 GLN 38 1HE2 GLN 38 11.344 1.383 4.737 231 HA PRO 39 HA PRO 39 7.685 9.257 4.443 232 HB3 PRO 39 1HB PRO 39 9.784 10.141 4.141 233 HG3 PRO 39 1HG PRO 39 10.957 9.883 2.070 234 HD3 PRO 39 1HD PRO 39 10.382 7.728 2.821 235 H LEU 40 H LEU 40 7.002 8.772 1.044 236 HA LEU 40 HA LEU 40 5.246 11.027 0.604 237 HB3 LEU 40 1HB LEU 40 4.767 8.454 -0.856 238 HG LEU 40 HG LEU 40 4.794 9.581 -2.802 239 HD11 LEU 40 1HD1 LEU 40 2.989 10.505 -1.168 240 HD12 LEU 40 2HD1 LEU 40 3.327 11.382 -2.661 241 HD13 LEU 40 3HD1 LEU 40 3.998 11.949 -1.105 242 HD21 LEU 40 3HD2 LEU 40 6.424 11.835 -1.593 243 HD22 LEU 40 1HD2 LEU 40 5.867 11.708 -3.279 244 HD23 LEU 40 2HD2 LEU 40 7.027 10.530 -2.647 245 H LEU 41 H LEU 41 4.669 7.568 1.285 246 HA LEU 41 HA LEU 41 1.850 7.796 1.760 247 HB3 LEU 41 1HB LEU 41 2.403 5.582 3.137 248 HG LEU 41 HG LEU 41 2.425 4.149 1.303 249 HD11 LEU 41 1HD1 LEU 41 0.619 4.891 -0.118 250 HD12 LEU 41 2HD1 LEU 41 0.823 6.563 0.456 251 HD13 LEU 41 3HD1 LEU 41 0.356 5.293 1.588 252 HD21 LEU 41 3HD2 LEU 41 2.895 4.847 -1.029 253 HD22 LEU 41 1HD2 LEU 41 4.287 4.890 0.051 254 HD23 LEU 41 2HD2 LEU 41 3.499 6.399 -0.405 255 H ALA 42 H ALA 42 4.678 7.896 3.955 256 HA ALA 42 HA ALA 42 3.209 8.067 6.377 257 HB1 ALA 42 3HB ALA 42 5.285 8.870 7.342 258 HB2 ALA 42 1HB ALA 42 5.679 7.640 6.137 259 HB3 ALA 42 2HB ALA 42 5.894 9.357 5.744 260 H GLU 43 H GLU 43 4.107 10.702 4.143 261 HA GLU 43 HA GLU 43 3.046 12.831 5.812 262 HB3 GLU 43 1HB GLU 43 2.994 14.065 3.551 263 HG3 GLU 43 1HG GLU 43 5.566 13.929 3.319 264 H VAL 44 H VAL 44 1.654 10.893 3.117 265 HA VAL 44 HA VAL 44 -0.843 12.290 3.023 266 HB VAL 44 HB VAL 44 -0.251 9.446 2.175 267 HG11 VAL 44 1HG1 VAL 44 -2.140 9.804 0.599 268 HG12 VAL 44 2HG1 VAL 44 -2.585 9.635 2.313 269 HG13 VAL 44 3HG1 VAL 44 -2.581 11.219 1.556 270 HG21 VAL 44 3HG2 VAL 44 -0.415 11.412 0.081 271 HG22 VAL 44 1HG2 VAL 44 0.968 11.653 1.160 272 HG23 VAL 44 2HG2 VAL 44 0.708 10.063 0.410 273 H PHE 45 H PHE 45 0.020 9.183 4.586 274 HA PHE 45 HA PHE 45 -2.440 8.612 5.892 275 HB3 PHE 45 1HB PHE 45 -0.621 7.494 7.556 276 HD1 PHE 45 HD1 PHE 45 -2.849 6.265 7.137 277 HD2 PHE 45 HD2 PHE 45 0.546 6.086 4.459 278 HE1 PHE 45 HE1 PHE 45 -3.588 4.063 6.263 279 HE2 PHE 45 HE2 PHE 45 -0.184 3.893 3.684 280 HZ PHE 45 HZ PHE 45 -2.286 2.888 4.551 281 H SER 46 H SER 46 -0.204 11.158 6.553 282 HA SER 46 HA SER 46 -0.642 11.405 9.411 283 HB3 SER 46 1HB SER 46 -0.091 13.710 7.526 284 HG SER 46 HG SER 46 1.178 14.360 9.356 285 H ASP 47 H ASP 47 -2.599 12.287 6.591 286 HA ASP 47 HA ASP 47 -4.537 13.783 8.282 287 HB3 ASP 47 1HB ASP 47 -4.586 13.424 5.286 288 H TYR 48 H TYR 48 -4.090 10.622 7.094 289 HA TYR 48 HA TYR 48 -6.990 9.946 7.467 290 HB3 TYR 48 1HB TYR 48 -6.914 8.422 5.647 291 HD1 TYR 48 HD2 TYR 48 -8.359 10.572 5.148 292 HD2 TYR 48 HD1 TYR 48 -4.239 10.109 4.006 293 HE1 TYR 48 HE2 TYR 48 -8.607 12.437 3.538 294 HE2 TYR 48 HE1 TYR 48 -4.433 12.059 2.485 295 HH TYR 48 HH TYR 48 -7.474 13.914 2.141 296 HA PRO 49 HA PRO 49 -3.988 7.303 10.090 297 HB3 PRO 49 1HB PRO 49 -3.584 8.837 11.731 298 HG3 PRO 49 1HG PRO 49 -5.165 10.573 12.223 299 HD3 PRO 49 1HD PRO 49 -4.650 10.671 9.922 300 H GLU 50 H GLU 50 -7.504 7.726 10.025 301 HA GLU 50 HA GLU 50 -8.205 5.298 11.340 302 HB3 GLU 50 1HB GLU 50 -9.766 7.159 10.945 303 HG3 GLU 50 1HG GLU 50 -9.869 6.228 8.039 304 H VAL 51 H VAL 51 -6.656 5.700 8.299 305 HA VAL 51 HA VAL 51 -7.595 3.094 7.203 306 HB VAL 51 HB VAL 51 -5.602 5.085 6.028 307 HG11 VAL 51 1HG1 VAL 51 -6.994 2.659 4.782 308 HG12 VAL 51 2HG1 VAL 51 -6.020 3.838 3.900 309 HG13 VAL 51 3HG1 VAL 51 -5.260 2.824 5.118 310 HG21 VAL 51 3HG2 VAL 51 -8.540 4.665 5.368 311 HG22 VAL 51 1HG2 VAL 51 -7.822 6.110 6.116 312 HG23 VAL 51 2HG2 VAL 51 -7.406 5.686 4.455 313 H GLY 52 H GLY 52 -6.285 1.271 7.192 314 HA2 GLY 52 1HA GLY 52 -3.835 1.255 8.880 315 HA3 GLY 52 2HA GLY 52 -4.713 -0.148 8.255 316 H HIS 53 H HIS 53 -1.848 0.252 8.130 317 HA HIS 53 HA HIS 53 -1.527 0.103 5.169 318 HB2 HIS 53 1HB HIS 53 -0.558 2.224 6.354 319 HB3 HIS 53 2HB HIS 53 0.677 1.152 6.947 320 HD1 HIS 53 HD1 HIS 53 2.475 2.570 5.414 321 HD2 HIS 53 HD2 HIS 53 -0.582 0.602 3.317 322 HE1 HIS 53 HE1 HIS 53 3.094 2.642 2.935 323 H LEU 54 H LEU 54 -0.664 -1.782 4.483 324 HA LEU 54 HA LEU 54 0.813 -3.528 6.404 325 HB3 LEU 54 1HB LEU 54 -0.464 -4.528 3.853 326 HG LEU 54 HG LEU 54 -0.518 -5.689 6.672 327 HD11 LEU 54 1HD1 LEU 54 -1.115 -6.954 3.965 328 HD12 LEU 54 2HD1 LEU 54 -2.333 -6.368 5.126 329 HD13 LEU 54 3HD1 LEU 54 -1.287 -7.712 5.573 330 HD21 LEU 54 3HD2 LEU 54 1.413 -6.351 4.419 331 HD22 LEU 54 1HD2 LEU 54 1.163 -7.371 5.852 332 HD23 LEU 54 2HD2 LEU 54 1.817 -5.733 6.025 333 H LYS 55 H LYS 55 2.971 -3.289 6.087 334 HA LYS 55 HA LYS 55 4.087 -2.620 3.413 335 HB3 LYS 55 1HB LYS 55 6.212 -2.593 4.639 336 HG3 LYS 55 1HG LYS 55 4.767 -0.529 4.402 337 HD3 LYS 55 1HD LYS 55 3.199 -0.811 6.265 338 HE3 LYS 55 1HE LYS 55 5.682 -0.521 8.030 339 HZ1 LYS 55 3HZ LYS 55 2.817 -0.804 8.772 340 HZ2 LYS 55 1HZ LYS 55 3.701 0.568 8.942 341 HZ3 LYS 55 2HZ LYS 55 4.066 -0.761 9.830 342 H VAL 56 H VAL 56 3.989 -4.418 2.140 343 HA VAL 56 HA VAL 56 4.653 -7.095 3.221 344 HB VAL 56 HB VAL 56 3.831 -6.280 0.397 345 HG11 VAL 56 1HG1 VAL 56 3.937 -8.987 1.799 346 HG12 VAL 56 2HG1 VAL 56 3.133 -8.700 0.258 347 HG13 VAL 56 3HG1 VAL 56 4.879 -8.468 0.376 348 HG21 VAL 56 3HG2 VAL 56 2.009 -7.450 2.525 349 HG22 VAL 56 1HG2 VAL 56 2.061 -5.720 2.123 350 HG23 VAL 56 2HG2 VAL 56 1.592 -6.870 0.898 351 H GLU 57 H GLU 57 6.728 -7.741 3.285 352 HA GLU 57 HA GLU 57 8.835 -6.760 1.543 353 HB3 GLU 57 1HB GLU 57 9.931 -9.036 2.298 354 HG3 GLU 57 1HG GLU 57 9.242 -6.976 4.396 355 H ASP 58 H ASP 58 8.595 -6.916 -0.539 356 HA ASP 58 HA ASP 58 8.094 -9.553 -1.862 357 HB3 ASP 58 1HB ASP 58 8.067 -6.833 -3.182 358 H GLY 59 H GLY 59 9.525 -8.920 -4.305 359 HA2 GLY 59 1HA GLY 59 12.128 -7.874 -3.986 360 HA3 GLY 59 2HA GLY 59 12.219 -9.548 -3.489 361 HA PRO 60 HA PRO 60 13.128 -9.285 -8.086 362 HB3 PRO 60 1HB PRO 60 15.265 -10.189 -8.389 363 HG3 PRO 60 1HG PRO 60 15.542 -8.484 -6.729 364 HD3 PRO 60 1HD PRO 60 14.323 -8.545 -4.712 365 H GLY 61 H GLY 61 12.854 -12.169 -5.941 366 HA2 GLY 61 1HA GLY 61 11.046 -13.575 -7.846 367 HA3 GLY 61 2HA GLY 61 11.568 -14.145 -6.238 368 H ARG 62 H ARG 62 9.104 -12.654 -7.979 369 HA ARG 62 HA ARG 62 8.006 -10.879 -6.032 370 HB3 ARG 62 1HB ARG 62 5.965 -10.937 -7.428 371 HG3 ARG 62 1HG ARG 62 6.830 -10.332 -9.648 372 HD3 ARG 62 1HD ARG 62 8.618 -9.143 -7.498 373 HE ARG 62 HE ARG 62 7.453 -7.881 -9.959 374 HH11 ARG 62 1HH1 ARG 62 10.351 -8.432 -7.983 375 HH12 ARG 62 2HH1 ARG 62 11.309 -7.362 -8.974 376 HH21 ARG 62 1HH2 ARG 62 8.741 -6.514 -11.139 377 HH22 ARG 62 2HH2 ARG 62 10.421 -6.318 -10.725 378 H ARG 63 H ARG 63 6.322 -11.025 -4.631 379 HA ARG 63 HA ARG 63 5.144 -13.710 -4.010 380 HB3 ARG 63 1HB ARG 63 5.028 -12.895 -1.618 381 HG3 ARG 63 1HG ARG 63 7.793 -13.339 -2.803 382 HD3 ARG 63 1HD ARG 63 8.100 -14.485 -0.531 383 HE ARG 63 HE ARG 63 7.848 -11.599 0.052 384 HH11 ARG 63 1HH1 ARG 63 9.927 -14.050 -1.464 385 HH12 ARG 63 2HH1 ARG 63 11.345 -13.065 -1.273 386 HH21 ARG 63 1HH2 ARG 63 9.606 -10.414 0.172 387 HH22 ARG 63 2HH2 ARG 63 11.177 -10.984 -0.351 388 H LEU 64 H LEU 64 3.762 -11.390 -2.056 389 HA LEU 64 HA LEU 64 1.203 -11.894 -2.986 390 HB3 LEU 64 1HB LEU 64 2.094 -9.409 -1.494 391 HG LEU 64 HG LEU 64 -0.302 -9.344 -1.865 392 HD11 LEU 64 1HD1 LEU 64 -0.890 -11.644 -2.363 393 HD12 LEU 64 2HD1 LEU 64 -1.786 -11.143 -0.931 394 HD13 LEU 64 3HD1 LEU 64 -0.357 -12.185 -0.750 395 HD21 LEU 64 3HD2 LEU 64 0.533 -8.659 0.346 396 HD22 LEU 64 1HD2 LEU 64 0.344 -10.315 0.952 397 HD23 LEU 64 2HD2 LEU 64 -1.082 -9.362 0.481 398 H GLY 65 H GLY 65 3.238 -9.096 -4.013 399 HA2 GLY 65 1HA GLY 65 1.206 -7.689 -5.418 400 HA3 GLY 65 2HA GLY 65 2.961 -7.590 -5.722 401 H ARG 66 H ARG 66 2.900 -10.619 -6.395 402 HA ARG 66 HA ARG 66 2.175 -10.425 -9.207 403 HB3 ARG 66 1HB ARG 66 2.842 -12.915 -7.585 404 HG3 ARG 66 1HG ARG 66 3.016 -12.245 -10.562 405 HD3 ARG 66 1HD ARG 66 3.820 -14.812 -9.114 406 HE ARG 66 HE ARG 66 4.621 -14.268 -11.881 407 HH11 ARG 66 1HH1 ARG 66 2.146 -15.919 -9.936 408 HH12 ARG 66 2HH1 ARG 66 1.686 -16.948 -11.257 409 HH21 ARG 66 1HH2 ARG 66 3.941 -15.618 -13.534 410 HH22 ARG 66 2HH2 ARG 66 2.684 -16.780 -13.255 411 H SER 67 H SER 67 0.623 -11.773 -6.272 412 HA SER 67 HA SER 67 -1.631 -12.963 -7.730 413 HB3 SER 67 1HB SER 67 -2.464 -13.491 -5.493 414 HG SER 67 HG SER 67 -0.667 -14.787 -6.011 415 H PHE 68 H PHE 68 -0.886 -9.803 -6.502 416 HA PHE 68 HA PHE 68 -3.636 -8.813 -7.027 417 HB3 PHE 68 1HB PHE 68 -2.319 -6.555 -6.700 418 HD1 PHE 68 HD2 PHE 68 -1.348 -8.803 -3.964 419 HD2 PHE 68 HD1 PHE 68 -4.397 -6.239 -5.540 420 HE1 PHE 68 HE2 PHE 68 -2.488 -8.837 -1.761 421 HE2 PHE 68 HE1 PHE 68 -5.530 -6.195 -3.325 422 HZ PHE 68 HZ PHE 68 -4.572 -7.495 -1.412 423 H GLN 69 H GLN 69 -0.976 -9.702 -8.906 424 HA GLN 69 HA GLN 69 -0.229 -9.294 -10.996 425 HB3 GLN 69 1HB GLN 69 -1.933 -8.815 -12.700 426 HG3 GLN 69 1HG GLN 69 -1.547 -11.114 -11.690 427 HE21 GLN 69 2HE2 GLN 69 -4.363 -9.475 -10.113 428 HE22 GLN 69 1HE2 GLN 69 -4.571 -10.820 -8.992 429 H VAL 70 H VAL 70 0.648 -7.441 -9.342 430 HA VAL 70 HA VAL 70 0.216 -4.703 -10.110 431 HB VAL 70 HB VAL 70 2.398 -6.169 -8.602 432 HG11 VAL 70 1HG1 VAL 70 3.591 -4.312 -9.559 433 HG12 VAL 70 2HG1 VAL 70 2.283 -3.190 -9.159 434 HG13 VAL 70 3HG1 VAL 70 3.260 -3.946 -7.876 435 HG21 VAL 70 3HG2 VAL 70 0.171 -5.906 -7.508 436 HG22 VAL 70 1HG2 VAL 70 1.442 -4.988 -6.690 437 HG23 VAL 70 2HG2 VAL 70 0.278 -4.153 -7.739 438 H LYS 71 H LYS 71 1.189 -3.413 -11.593 439 HA LYS 71 HA LYS 71 2.578 -4.708 -13.848 440 HB3 LYS 71 1HB LYS 71 2.430 -2.048 -14.491 441 HG3 LYS 71 1HG LYS 71 1.507 -3.849 -15.809 442 HD3 LYS 71 1HD LYS 71 0.192 -5.118 -14.072 443 HE3 LYS 71 1HE LYS 71 -1.755 -2.782 -14.406 444 HZ1 LYS 71 3HZ LYS 71 -2.830 -4.966 -14.200 445 HZ2 LYS 71 1HZ LYS 71 -3.102 -4.077 -12.856 446 HZ3 LYS 71 2HZ LYS 71 -1.988 -5.291 -12.829 447 H LEU 72 H LEU 72 3.449 -2.131 -11.520 448 HA LEU 72 HA LEU 72 6.253 -2.113 -12.543 449 HB3 LEU 72 1HB LEU 72 4.981 -0.297 -10.457 450 HG LEU 72 HG LEU 72 7.523 -0.133 -10.750 451 HD11 LEU 72 1HD1 LEU 72 8.335 0.980 -12.828 452 HD12 LEU 72 2HD1 LEU 72 6.731 0.760 -13.552 453 HD13 LEU 72 3HD1 LEU 72 7.731 -0.655 -13.131 454 HD21 LEU 72 3HD2 LEU 72 6.118 1.780 -9.979 455 HD22 LEU 72 1HD2 LEU 72 5.906 2.269 -11.675 456 HD23 LEU 72 2HD2 LEU 72 7.515 2.315 -10.936 457 H TRP 73 H TRP 73 6.504 -1.196 -9.436 458 HA TRP 73 HA TRP 73 6.202 -3.769 -8.090 459 HB3 TRP 73 1HB TRP 73 8.929 -2.473 -8.169 460 HD1 TRP 73 HD TRP 73 7.650 -6.072 -7.575 461 HE1 TRP 73 HE1 TRP 73 8.774 -7.005 -5.474 462 HE3 TRP 73 HE3 TRP 73 10.112 -1.853 -6.113 463 HZ2 TRP 73 HZ2 TRP 73 10.716 -6.048 -3.477 464 HZ3 TRP 73 HZ3 TRP 73 11.544 -1.870 -4.097 465 HH2 TRP 73 HH TRP 73 11.899 -3.957 -2.813 466 HA PRO 74 HA PRO 74 6.608 -0.349 -4.846 467 HB3 PRO 74 1HB PRO 74 8.378 1.089 -5.188 468 HG3 PRO 74 1HG PRO 74 8.857 1.943 -7.407 469 HD3 PRO 74 1HD PRO 74 8.969 -0.411 -7.445 470 H THR 75 H THR 75 4.457 -0.883 -4.847 471 HA THR 75 HA THR 75 2.412 0.871 -6.123 472 HB THR 75 HB THR 75 2.710 -2.130 -6.591 473 HG1 THR 75 HG1 THR 75 3.685 -0.074 -7.822 474 HG21 THR 75 3HG2 THR 75 0.733 -1.766 -8.145 475 HG22 THR 75 1HG2 THR 75 0.467 -0.201 -7.364 476 HG23 THR 75 2HG2 THR 75 0.337 -1.697 -6.419 477 H PHE 76 H PHE 76 0.556 0.910 -4.959 478 HA PHE 76 HA PHE 76 0.251 -0.997 -2.717 479 HB3 PHE 76 1HB PHE 76 1.117 0.653 -1.416 480 HD1 PHE 76 HD1 PHE 76 2.868 1.721 -2.824 481 HD2 PHE 76 HD2 PHE 76 -1.137 3.265 -2.444 482 HE1 PHE 76 HE1 PHE 76 3.623 3.882 -3.771 483 HE2 PHE 76 HE2 PHE 76 -0.350 5.457 -3.255 484 HZ PHE 76 HZ PHE 76 2.002 5.745 -4.020 485 H VAL 77 H VAL 77 -1.624 -1.816 -2.535 486 HA VAL 77 HA VAL 77 -3.860 -0.887 -4.271 487 HB VAL 77 HB VAL 77 -3.459 -3.610 -2.997 488 HG11 VAL 77 1HG1 VAL 77 -5.857 -3.022 -3.503 489 HG12 VAL 77 2HG1 VAL 77 -5.404 -2.669 -5.164 490 HG13 VAL 77 3HG1 VAL 77 -5.270 -4.309 -4.547 491 HG21 VAL 77 3HG2 VAL 77 -3.042 -2.764 -5.904 492 HG22 VAL 77 1HG2 VAL 77 -1.740 -3.102 -4.763 493 HG23 VAL 77 2HG2 VAL 77 -2.838 -4.388 -5.245 494 H PHE 78 H PHE 78 -5.612 -0.011 -3.429 495 HA PHE 78 HA PHE 78 -5.933 0.157 -0.479 496 HB3 PHE 78 1HB PHE 78 -7.773 1.727 -1.045 497 HD1 PHE 78 HD2 PHE 78 -5.097 2.139 -3.613 498 HD2 PHE 78 HD1 PHE 78 -6.504 3.384 0.267 499 HE1 PHE 78 HE2 PHE 78 -3.310 3.829 -3.507 500 HE2 PHE 78 HE1 PHE 78 -4.786 5.152 0.298 501 HZ PHE 78 HZ PHE 78 -3.193 5.389 -1.620 502 H LEU 79 H LEU 79 -7.023 -1.350 0.500 503 HA LEU 79 HA LEU 79 -9.203 -2.835 -0.862 504 HB3 LEU 79 1HB LEU 79 -9.009 -4.281 1.268 505 HG LEU 79 HG LEU 79 -6.918 -5.421 0.777 506 HD11 LEU 79 1HD1 LEU 79 -9.061 -6.110 -0.219 507 HD12 LEU 79 2HD1 LEU 79 -7.630 -6.578 -1.151 508 HD13 LEU 79 3HD1 LEU 79 -8.600 -5.198 -1.680 509 HD21 LEU 79 3HD2 LEU 79 -5.660 -4.993 -1.268 510 HD22 LEU 79 1HD2 LEU 79 -5.673 -3.519 -0.277 511 HD23 LEU 79 2HD2 LEU 79 -6.780 -3.665 -1.672 512 H ARG 80 H ARG 80 -11.077 -3.136 0.250 513 HA ARG 80 HA ARG 80 -11.711 -2.028 2.825 514 HB3 ARG 80 1HB ARG 80 -13.352 -0.743 0.630 515 HG3 ARG 80 1HG ARG 80 -12.791 -0.125 3.567 516 HD3 ARG 80 1HD ARG 80 -14.327 1.579 1.559 517 HE ARG 80 HE ARG 80 -14.881 1.458 4.179 518 HH11 ARG 80 1HH1 ARG 80 -13.089 4.045 2.472 519 HH12 ARG 80 2HH1 ARG 80 -13.591 5.225 3.638 520 HH21 ARG 80 1HH2 ARG 80 -15.461 3.083 5.601 521 HH22 ARG 80 2HH2 ARG 80 -14.866 4.700 5.362 522 H ASP 81 H ASP 81 -13.304 -3.178 3.719 523 HA ASP 81 HA ASP 81 -14.642 -4.992 4.098 524 HB3 ASP 81 1HB ASP 81 -15.801 -4.573 1.327 525 H GLY 82 H GLY 82 -12.036 -5.458 2.907 526 HA2 GLY 82 1HA GLY 82 -10.744 -7.298 2.295 527 HA3 GLY 82 2HA GLY 82 -12.235 -8.265 2.190 528 H ARG 83 H ARG 83 -12.522 -5.524 0.214 529 HA ARG 83 HA ARG 83 -11.825 -7.049 -2.250 530 HB3 ARG 83 1HB ARG 83 -13.879 -4.818 -1.942 531 HG3 ARG 83 1HG ARG 83 -13.778 -7.112 -3.934 532 HD3 ARG 83 1HD ARG 83 -15.087 -4.352 -4.088 533 HE ARG 83 HE ARG 83 -16.074 -6.488 -5.788 534 HH11 ARG 83 1HH1 ARG 83 -13.513 -3.986 -5.759 535 HH12 ARG 83 2HH1 ARG 83 -13.558 -3.863 -7.482 536 HH21 ARG 83 1HH2 ARG 83 -15.998 -6.276 -7.989 537 HH22 ARG 83 2HH2 ARG 83 -14.890 -5.164 -8.734 538 H GLU 84 H GLU 84 -10.586 -5.940 -3.769 539 HA GLU 84 HA GLU 84 -9.207 -3.487 -3.104 540 HB3 GLU 84 1HB GLU 84 -9.541 -4.975 -5.725 541 HG3 GLU 84 1HG GLU 84 -7.921 -2.470 -5.147 542 H VAL 85 H VAL 85 -9.883 -1.485 -3.157 543 HA VAL 85 HA VAL 85 -12.332 -0.727 -4.718 544 HB VAL 85 HB VAL 85 -12.294 1.366 -3.346 545 HG11 VAL 85 1HG1 VAL 85 -13.369 0.354 -1.430 546 HG12 VAL 85 2HG1 VAL 85 -13.800 -0.549 -2.893 547 HG13 VAL 85 3HG1 VAL 85 -12.597 -1.211 -1.774 548 HG21 VAL 85 3HG2 VAL 85 -10.416 -0.125 -1.469 549 HG22 VAL 85 1HG2 VAL 85 -9.872 1.185 -2.538 550 HG23 VAL 85 2HG2 VAL 85 -11.083 1.499 -1.265 551 H ALA 86 H ALA 86 -8.897 -0.276 -4.492 552 HA ALA 86 HA ALA 86 -8.662 0.959 -7.078 553 HB1 ALA 86 3HB ALA 86 -9.419 2.991 -5.855 554 HB2 ALA 86 1HB ALA 86 -8.180 2.698 -4.600 555 HB3 ALA 86 2HB ALA 86 -7.717 3.153 -6.256 556 H ARG 87 H ARG 87 -6.306 1.853 -7.273 557 HA ARG 87 HA ARG 87 -4.429 1.127 -5.237 558 HB3 ARG 87 1HB ARG 87 -4.602 -1.052 -6.310 559 HG3 ARG 87 1HG ARG 87 -3.581 0.403 -8.796 560 HD3 ARG 87 1HD ARG 87 -2.472 -1.768 -8.077 561 HE ARG 87 HE ARG 87 -5.174 -2.743 -8.108 562 HH11 ARG 87 1HH1 ARG 87 -2.014 -3.785 -9.368 563 HH12 ARG 87 2HH1 ARG 87 -2.497 -5.466 -9.347 564 HH21 ARG 87 1HH2 ARG 87 -5.632 -4.895 -7.997 565 HH22 ARG 87 2HH2 ARG 87 -4.461 -6.073 -8.589 566 H VAL 88 H VAL 88 -2.381 2.034 -5.560 567 HA VAL 88 HA VAL 88 -2.110 4.061 -7.771 568 HB VAL 88 HB VAL 88 -1.503 4.362 -4.837 569 HG11 VAL 88 1HG1 VAL 88 0.321 5.504 -6.054 570 HG12 VAL 88 2HG1 VAL 88 -0.870 6.330 -7.089 571 HG13 VAL 88 3HG1 VAL 88 -0.762 6.716 -5.362 572 HG21 VAL 88 3HG2 VAL 88 -3.036 6.133 -4.690 573 HG22 VAL 88 1HG2 VAL 88 -3.325 6.137 -6.456 574 HG23 VAL 88 2HG2 VAL 88 -3.882 4.785 -5.455 575 H VAL 89 H VAL 89 -0.060 4.348 -8.568 576 HA VAL 89 HA VAL 89 2.178 2.657 -7.583 577 HB VAL 89 HB VAL 89 1.177 1.210 -9.172 578 HG11 VAL 89 1HG1 VAL 89 1.013 3.485 -11.180 579 HG12 VAL 89 2HG1 VAL 89 0.664 1.773 -11.494 580 HG13 VAL 89 3HG1 VAL 89 -0.346 2.662 -10.359 581 HG21 VAL 89 3HG2 VAL 89 3.376 2.596 -10.753 582 HG22 VAL 89 1HG2 VAL 89 3.678 1.504 -9.392 583 HG23 VAL 89 2HG2 VAL 89 2.862 0.908 -10.849 584 H ARG 90 H ARG 90 4.216 3.447 -8.098 585 HA ARG 90 HA ARG 90 5.701 5.022 -8.094 586 HB3 ARG 90 1HB ARG 90 4.730 5.648 -10.883 587 HG3 ARG 90 1HG ARG 90 6.855 6.665 -10.316 588 HD3 ARG 90 1HD ARG 90 7.558 3.972 -9.154 589 HE ARG 90 HE ARG 90 9.693 4.037 -9.885 590 HH11 ARG 90 1HH1 ARG 90 8.680 7.434 -10.010 591 HH12 ARG 90 2HH1 ARG 90 10.257 7.945 -10.533 592 HH21 ARG 90 1HH2 ARG 90 11.607 4.731 -10.476 593 HH22 ARG 90 2HH2 ARG 90 11.900 6.416 -10.848 594 HA PRO 91 HA PRO 91 2.426 8.205 -6.997 595 HB3 PRO 91 1HB PRO 91 2.453 7.698 -4.863 596 HG3 PRO 91 1HG PRO 91 4.380 6.720 -3.820 597 HD3 PRO 91 1HD PRO 91 3.952 5.492 -5.810 598 H GLY 92 H GLY 92 5.915 9.124 -6.602 599 HA2 GLY 92 1HA GLY 92 7.062 10.920 -7.498 600 HA3 GLY 92 2HA GLY 92 5.569 11.466 -8.295 601 H SER 93 H SER 93 3.834 12.134 -6.387 602 HA SER 93 HA SER 93 5.150 13.987 -4.453 603 HB3 SER 93 1HB SER 93 3.800 15.871 -5.349 604 HG SER 93 HG SER 93 5.936 15.662 -6.203 605 H ALA 94 H ALA 94 3.871 14.492 -2.680 606 HA ALA 94 HA ALA 94 1.797 12.834 -1.792 607 HB1 ALA 94 3HB ALA 94 1.465 14.535 -0.071 608 HB2 ALA 94 1HB ALA 94 3.189 14.270 -0.357 609 HB3 ALA 94 2HB ALA 94 2.378 15.723 -1.029 610 H SER 95 H SER 95 1.426 15.865 -3.675 611 HA SER 95 HA SER 95 -1.344 16.157 -3.497 612 HB3 SER 95 1HB SER 95 -1.193 17.387 -5.569 613 HG SER 95 HG SER 95 0.627 18.720 -5.100 614 H VAL 96 H VAL 96 0.402 13.689 -5.422 615 HA VAL 96 HA VAL 96 -2.060 12.926 -6.908 616 HB VAL 96 HB VAL 96 0.755 11.748 -6.904 617 HG11 VAL 96 1HG1 VAL 96 0.067 10.621 -9.023 618 HG12 VAL 96 2HG1 VAL 96 -0.833 10.036 -7.622 619 HG13 VAL 96 3HG1 VAL 96 -1.601 11.173 -8.756 620 HG21 VAL 96 3HG2 VAL 96 1.010 12.838 -9.118 621 HG22 VAL 96 1HG2 VAL 96 -0.601 13.592 -8.931 622 HG23 VAL 96 2HG2 VAL 96 0.735 14.034 -7.852 623 H LEU 97 H LEU 97 0.030 11.731 -4.287 624 HA LEU 97 HA LEU 97 -1.370 9.201 -3.967 625 HB3 LEU 97 1HB LEU 97 0.129 10.272 -1.686 626 HG LEU 97 HG LEU 97 0.591 7.928 -3.576 627 HD11 LEU 97 1HD1 LEU 97 1.903 8.404 -0.877 628 HD12 LEU 97 2HD1 LEU 97 2.694 8.608 -2.457 629 HD13 LEU 97 3HD1 LEU 97 2.120 7.015 -1.979 630 HD21 LEU 97 3HD2 LEU 97 -0.222 6.653 -1.522 631 HD22 LEU 97 1HD2 LEU 97 -1.447 7.623 -2.332 632 HD23 LEU 97 2HD2 LEU 97 -0.692 8.201 -0.821 633 H GLU 98 H GLU 98 -1.510 12.322 -2.170 634 HA GLU 98 HA GLU 98 -3.520 11.548 -0.335 635 HB3 GLU 98 1HB GLU 98 -4.007 13.940 -0.124 636 HG3 GLU 98 1HG GLU 98 -1.025 13.487 -0.040 637 H GLU 99 H GLU 99 -3.794 12.912 -3.642 638 HA GLU 99 HA GLU 99 -6.578 13.348 -3.753 639 HB3 GLU 99 1HB GLU 99 -4.495 12.560 -5.830 640 HG3 GLU 99 1HG GLU 99 -7.413 13.162 -6.253 641 H ALA 100 H ALA 100 -4.727 10.325 -4.227 642 HA ALA 100 HA ALA 100 -7.149 8.774 -4.826 643 HB1 ALA 100 3HB ALA 100 -4.329 7.926 -4.045 644 HB2 ALA 100 1HB ALA 100 -5.607 6.843 -4.640 645 HB3 ALA 100 2HB ALA 100 -4.955 8.113 -5.699 646 H PHE 101 H PHE 101 -5.146 9.382 -1.881 647 HA PHE 101 HA PHE 101 -6.418 7.469 -0.214 648 HB3 PHE 101 1HB PHE 101 -5.815 9.448 1.519 649 HD1 PHE 101 HD1 PHE 101 -3.330 7.760 -0.873 650 HD2 PHE 101 HD2 PHE 101 -5.085 7.934 3.091 651 HE1 PHE 101 HE1 PHE 101 -1.691 6.160 -0.039 652 HE2 PHE 101 HE2 PHE 101 -3.366 6.340 3.892 653 HZ PHE 101 HZ PHE 101 -1.609 5.537 2.289 654 H GLU 102 H GLU 102 -7.189 10.961 -0.608 655 HA GLU 102 HA GLU 102 -9.487 10.943 1.081 656 HB3 GLU 102 1HB GLU 102 -8.560 13.021 0.525 657 HG3 GLU 102 1HG GLU 102 -8.365 12.188 -2.175 658 H SER 103 H SER 103 -9.162 10.031 -2.339 659 HA SER 103 HA SER 103 -11.994 9.821 -2.815 660 HB3 SER 103 1HB SER 103 -9.817 8.254 -4.245 661 HG SER 103 HG SER 103 -11.972 7.811 -4.933 662 H LEU 104 H LEU 104 -9.659 7.594 -1.356 663 HA LEU 104 HA LEU 104 -11.692 5.396 -1.379 664 HB3 LEU 104 1HB LEU 104 -9.735 4.028 -0.503 665 HG LEU 104 HG LEU 104 -8.853 3.462 -2.499 666 HD11 LEU 104 1HD1 LEU 104 -10.607 3.422 -4.126 667 HD12 LEU 104 2HD1 LEU 104 -11.260 4.976 -3.591 668 HD13 LEU 104 3HD1 LEU 104 -11.420 3.523 -2.567 669 HD21 LEU 104 3HD2 LEU 104 -9.208 6.251 -3.607 670 HD22 LEU 104 1HD2 LEU 104 -8.498 4.909 -4.467 671 HD23 LEU 104 2HD2 LEU 104 -7.664 5.520 -3.048 672 H VAL 105 H VAL 105 -10.143 7.539 0.886 673 HA VAL 105 HA VAL 105 -11.158 6.209 3.234 674 HB VAL 105 HB VAL 105 -9.330 8.150 2.933 675 HG11 VAL 105 1HG1 VAL 105 -10.053 10.331 3.603 676 HG12 VAL 105 2HG1 VAL 105 -11.005 9.872 2.191 677 HG13 VAL 105 3HG1 VAL 105 -11.721 9.788 3.817 678 HG21 VAL 105 3HG2 VAL 105 -9.833 6.849 4.961 679 HG22 VAL 105 1HG2 VAL 105 -9.403 8.538 5.287 680 HG23 VAL 105 2HG2 VAL 105 -11.102 8.015 5.381 681 H GLY 106 H GLY 106 -12.557 8.349 0.855 682 HA2 GLY 106 1HA GLY 106 -14.891 8.383 0.425 683 HA3 GLY 106 2HA GLY 106 -15.235 8.195 2.163 684 H GLU 107 H GLU 107 -12.861 10.444 2.145 685 HA GLU 107 HA GLU 107 -14.630 12.646 2.700 686 HB3 GLU 107 1HB GLU 107 -12.337 13.904 2.701 687 HG3 GLU 107 1HG GLU 107 -11.613 12.805 4.835 688 H GLY 108 H GLY 108 -13.021 11.598 -0.229 689 HA2 GLY 108 1HA GLY 108 -13.603 14.093 -1.712 690 HA3 GLY 108 2HA GLY 108 -12.829 12.614 -2.306 Start of MODEL 19 1 H1 MET 1 H MET 1 3.170 5.105 11.041 2 HA MET 1 HA MET 1 3.847 3.304 9.662 3 HB3 MET 1 1HB MET 1 3.501 4.053 7.287 4 HG3 MET 1 1HG MET 1 1.265 4.980 7.542 5 HE1 MET 1 3HE MET 1 -1.130 2.551 9.399 6 HE2 MET 1 1HE MET 1 -0.712 4.218 9.821 7 HE3 MET 1 2HE MET 1 -0.985 3.773 8.124 8 H LYS 2 H LYS 2 6.208 5.544 10.232 9 HA LYS 2 HA LYS 2 8.006 5.246 8.062 10 HB3 LYS 2 1HB LYS 2 7.955 7.138 9.629 11 HG3 LYS 2 1HG LYS 2 9.271 5.227 11.627 12 HD3 LYS 2 1HD LYS 2 8.671 8.216 11.802 13 HE3 LYS 2 1HE LYS 2 9.939 6.272 13.789 14 HZ1 LYS 2 3HZ LYS 2 9.958 8.214 15.233 15 HZ2 LYS 2 1HZ LYS 2 9.376 9.170 14.051 16 HZ3 LYS 2 2HZ LYS 2 10.864 8.511 13.909 17 H THR 3 H THR 3 7.414 2.814 10.343 18 HA THR 3 HA THR 3 10.052 1.703 10.699 19 HB THR 3 HB THR 3 8.706 -0.327 11.474 20 HG1 THR 3 HG1 THR 3 6.470 0.140 11.745 21 HG21 THR 3 3HG2 THR 3 9.452 1.472 13.026 22 HG22 THR 3 1HG2 THR 3 7.895 0.756 13.496 23 HG23 THR 3 2HG2 THR 3 7.930 2.349 12.713 24 H ARG 4 H ARG 4 10.697 -0.448 10.019 25 HA ARG 4 HA ARG 4 10.872 -0.593 7.213 26 HB3 ARG 4 1HB ARG 4 12.602 -1.308 8.856 27 HG3 ARG 4 1HG ARG 4 12.758 -3.617 9.555 28 HD3 ARG 4 1HD ARG 4 11.054 -3.920 11.257 29 HE ARG 4 HE ARG 4 12.670 -1.649 11.185 30 HH11 ARG 4 1HH1 ARG 4 9.694 -2.619 12.844 31 HH12 ARG 4 2HH1 ARG 4 9.989 -1.550 14.183 32 HH21 ARG 4 1HH2 ARG 4 12.935 -0.222 12.909 33 HH22 ARG 4 2HH2 ARG 4 11.785 -0.202 14.206 34 H TYR 5 H TYR 5 10.516 -2.425 5.827 35 HA TYR 5 HA TYR 5 7.814 -3.344 5.687 36 HB3 TYR 5 1HB TYR 5 8.929 -4.821 3.822 37 HD1 TYR 5 HD1 TYR 5 10.285 -1.352 3.826 38 HD2 TYR 5 HD2 TYR 5 7.126 -3.986 2.602 39 HE1 TYR 5 HE1 TYR 5 9.459 0.386 2.242 40 HE2 TYR 5 HE2 TYR 5 6.240 -2.226 1.057 41 HH TYR 5 HH TYR 5 6.651 -0.141 0.100 42 H SER 6 H SER 6 7.080 -5.625 5.410 43 HA SER 6 HA SER 6 8.731 -7.587 6.945 44 HB3 SER 6 1HB SER 6 5.712 -7.358 7.032 45 HG SER 6 HG SER 6 6.090 -8.931 8.776 46 H ALA 7 H ALA 7 9.132 -9.485 6.015 47 HA ALA 7 HA ALA 7 7.952 -10.224 3.438 48 HB1 ALA 7 3HB ALA 7 9.873 -11.706 5.304 49 HB2 ALA 7 1HB ALA 7 9.503 -12.120 3.619 50 HB3 ALA 7 2HB ALA 7 10.345 -10.609 3.968 51 H GLU 8 H GLU 8 7.036 -10.690 6.709 52 HA GLU 8 HA GLU 8 5.708 -13.295 6.278 53 HB3 GLU 8 1HB GLU 8 5.293 -13.199 8.710 54 HG3 GLU 8 1HG GLU 8 8.209 -12.573 8.065 55 H ALA 9 H ALA 9 4.656 -11.261 4.697 56 HA ALA 9 HA ALA 9 2.253 -10.086 5.763 57 HB1 ALA 9 3HB ALA 9 3.092 -10.764 2.904 58 HB2 ALA 9 1HB ALA 9 1.708 -9.756 3.340 59 HB3 ALA 9 2HB ALA 9 3.353 -9.211 3.750 60 HA PRO 10 HA PRO 10 -0.646 -13.487 5.625 61 HB3 PRO 10 1HB PRO 10 -2.226 -11.994 6.430 62 HG3 PRO 10 1HG PRO 10 -2.390 -9.747 5.518 63 HD3 PRO 10 1HD PRO 10 -0.213 -10.123 6.414 64 H ALA 11 H ALA 11 -1.930 -14.805 4.195 65 HA ALA 11 HA ALA 11 -1.161 -14.705 1.359 66 HB1 ALA 11 3HB ALA 11 -2.589 -16.733 1.197 67 HB2 ALA 11 1HB ALA 11 -1.470 -16.872 2.557 68 HB3 ALA 11 2HB ALA 11 -3.167 -16.452 2.868 69 H ARG 12 H ARG 12 -2.662 -14.440 -0.401 70 HA ARG 12 HA ARG 12 -4.351 -12.202 -0.052 71 HB3 ARG 12 1HB ARG 12 -4.631 -14.002 -2.458 72 HG3 ARG 12 1HG ARG 12 -4.470 -10.988 -1.947 73 HD3 ARG 12 1HD ARG 12 -4.730 -12.459 -4.593 74 HE ARG 12 HE ARG 12 -4.260 -9.530 -4.185 75 HH11 ARG 12 1HH1 ARG 12 -6.404 -12.001 -5.572 76 HH12 ARG 12 2HH1 ARG 12 -7.310 -10.821 -6.474 77 HH21 ARG 12 1HH2 ARG 12 -5.499 -8.086 -5.330 78 HH22 ARG 12 2HH2 ARG 12 -6.819 -8.638 -6.318 79 H ASP 13 H ASP 13 -5.105 -15.602 0.086 80 HA ASP 13 HA ASP 13 -7.978 -15.466 0.156 81 HB3 ASP 13 1HB ASP 13 -6.082 -17.415 1.495 82 H GLU 14 H GLU 14 -5.517 -14.875 2.685 83 HA GLU 14 HA GLU 14 -7.479 -14.842 4.864 84 HB3 GLU 14 1HB GLU 14 -5.528 -14.049 6.182 85 HG3 GLU 14 1HG GLU 14 -4.899 -16.513 4.514 86 H LEU 15 H LEU 15 -5.645 -12.577 2.832 87 HA LEU 15 HA LEU 15 -6.449 -10.080 3.954 88 HB3 LEU 15 1HB LEU 15 -5.572 -11.017 1.203 89 HG LEU 15 HG LEU 15 -5.534 -8.184 2.282 90 HD11 LEU 15 1HD1 LEU 15 -3.237 -8.822 1.657 91 HD12 LEU 15 2HD1 LEU 15 -3.906 -7.746 0.425 92 HD13 LEU 15 3HD1 LEU 15 -3.822 -9.476 0.115 93 HD21 LEU 15 3HD2 LEU 15 -7.432 -8.555 0.792 94 HD22 LEU 15 1HD2 LEU 15 -6.412 -9.454 -0.366 95 HD23 LEU 15 2HD2 LEU 15 -6.196 -7.712 -0.128 96 H ASP 16 H ASP 16 -8.071 -12.273 1.656 97 HA ASP 16 HA ASP 16 -10.133 -10.523 0.743 98 HB3 ASP 16 1HB ASP 16 -9.970 -13.548 1.084 99 H ARG 17 H ARG 17 -9.658 -11.993 3.833 100 HA ARG 17 HA ARG 17 -12.452 -11.954 4.672 101 HB3 ARG 17 1HB ARG 17 -11.613 -12.746 6.780 102 HG3 ARG 17 1HG ARG 17 -10.055 -14.617 6.222 103 HD3 ARG 17 1HD ARG 17 -12.460 -15.014 5.934 104 HE ARG 17 HE ARG 17 -11.973 -14.152 3.098 105 HH11 ARG 17 1HH1 ARG 17 -14.364 -15.201 5.503 106 HH12 ARG 17 2HH1 ARG 17 -15.697 -14.812 4.468 107 HH21 ARG 17 1HH2 ARG 17 -13.705 -13.741 1.816 108 HH22 ARG 17 2HH2 ARG 17 -15.333 -13.972 2.407 109 H LEU 18 H LEU 18 -10.002 -9.558 4.449 110 HA LEU 18 HA LEU 18 -10.658 -8.054 6.825 111 HB3 LEU 18 1HB LEU 18 -8.536 -7.902 5.529 112 HG LEU 18 HG LEU 18 -9.616 -7.247 3.222 113 HD11 LEU 18 1HD1 LEU 18 -11.001 -5.342 3.804 114 HD12 LEU 18 2HD1 LEU 18 -9.631 -4.740 2.882 115 HD13 LEU 18 3HD1 LEU 18 -9.650 -4.559 4.651 116 HD21 LEU 18 3HD2 LEU 18 -7.311 -5.618 4.382 117 HD22 LEU 18 1HD2 LEU 18 -7.590 -5.961 2.656 118 HD23 LEU 18 2HD2 LEU 18 -7.166 -7.269 3.765 119 H ALA 19 H ALA 19 -11.526 -5.766 6.801 120 HA ALA 19 HA ALA 19 -13.851 -5.450 4.937 121 HB1 ALA 19 3HB ALA 19 -14.642 -6.615 6.938 122 HB2 ALA 19 1HB ALA 19 -13.996 -5.317 7.973 123 HB3 ALA 19 2HB ALA 19 -15.317 -4.979 6.845 124 H GLY 20 H GLY 20 -11.913 -3.759 7.461 125 HA2 GLY 20 1HA GLY 20 -12.924 -1.164 6.701 126 HA3 GLY 20 2HA GLY 20 -11.560 -1.475 7.788 127 HA PRO 21 HA PRO 21 -10.207 0.206 3.543 128 HB3 PRO 21 1HB PRO 21 -10.984 2.350 3.788 129 HG3 PRO 21 1HG PRO 21 -11.358 3.311 5.947 130 HD3 PRO 21 1HD PRO 21 -12.522 1.228 5.976 131 H THR 22 H THR 22 -8.464 -0.972 3.237 132 HA THR 22 HA THR 22 -6.055 -0.648 5.032 133 HB THR 22 HB THR 22 -7.065 -3.233 3.777 134 HG1 THR 22 HG1 THR 22 -8.323 -2.578 5.518 135 HG21 THR 22 3HG2 THR 22 -4.602 -3.221 4.023 136 HG22 THR 22 1HG2 THR 22 -5.328 -4.264 5.239 137 HG23 THR 22 2HG2 THR 22 -4.743 -2.646 5.690 138 H LEU 23 H LEU 23 -4.409 0.184 3.918 139 HA LEU 23 HA LEU 23 -4.216 -0.216 0.997 140 HB3 LEU 23 1HB LEU 23 -2.497 1.399 2.920 141 HG LEU 23 HG LEU 23 -1.239 0.994 0.877 142 HD11 LEU 23 1HD1 LEU 23 -2.615 0.383 -0.812 143 HD12 LEU 23 2HD1 LEU 23 -2.409 2.068 -1.279 144 HD13 LEU 23 3HD1 LEU 23 -3.874 1.576 -0.410 145 HD21 LEU 23 3HD2 LEU 23 -0.922 3.261 0.114 146 HD22 LEU 23 1HD2 LEU 23 -1.122 3.215 1.871 147 HD23 LEU 23 2HD2 LEU 23 -2.471 3.751 0.847 148 H VAL 24 H VAL 24 -2.885 -1.680 0.082 149 HA VAL 24 HA VAL 24 -0.875 -3.149 1.777 150 HB VAL 24 HB VAL 24 -2.349 -4.154 -0.696 151 HG11 VAL 24 1HG1 VAL 24 -0.597 -5.627 1.315 152 HG12 VAL 24 2HG1 VAL 24 -1.435 -6.351 -0.073 153 HG13 VAL 24 3HG1 VAL 24 -0.114 -5.199 -0.334 154 HG21 VAL 24 3HG2 VAL 24 -3.939 -3.924 1.192 155 HG22 VAL 24 1HG2 VAL 24 -3.612 -5.616 0.859 156 HG23 VAL 24 2HG2 VAL 24 -2.821 -4.828 2.245 157 H GLU 25 H GLU 25 1.085 -2.531 1.414 158 HA GLU 25 HA GLU 25 1.828 -1.275 -1.172 159 HB3 GLU 25 1HB GLU 25 2.867 -0.935 1.658 160 HG3 GLU 25 1HG GLU 25 3.672 0.629 -0.821 161 H PHE 26 H PHE 26 3.355 -2.123 -2.414 162 HA PHE 26 HA PHE 26 4.953 -4.429 -1.436 163 HB3 PHE 26 1HB PHE 26 5.132 -5.005 -3.804 164 HD1 PHE 26 HD2 PHE 26 3.910 -6.785 -2.454 165 HD2 PHE 26 HD1 PHE 26 1.864 -3.418 -4.212 166 HE1 PHE 26 HE2 PHE 26 1.713 -7.891 -2.061 167 HE2 PHE 26 HE1 PHE 26 -0.317 -4.556 -3.839 168 HZ PHE 26 HZ PHE 26 -0.379 -6.751 -2.718 169 H GLY 27 H GLY 27 7.119 -4.206 -1.178 170 HA2 GLY 27 1HA GLY 27 8.899 -2.586 -2.689 171 HA3 GLY 27 2HA GLY 27 8.357 -1.670 -1.311 172 H THR 28 H THR 28 10.637 -1.689 -0.712 173 HA THR 28 HA THR 28 11.151 -3.706 1.336 174 HB THR 28 HB THR 28 13.496 -4.031 0.773 175 HG1 THR 28 HG1 THR 28 14.208 -3.370 -1.324 176 HG21 THR 28 3HG2 THR 28 11.838 -4.815 -1.643 177 HG22 THR 28 1HG2 THR 28 11.893 -5.704 -0.109 178 HG23 THR 28 2HG2 THR 28 13.350 -5.556 -1.100 179 H ASP 29 H ASP 29 13.163 -2.886 2.671 180 HA ASP 29 HA ASP 29 12.578 -0.041 3.200 181 HB3 ASP 29 1HB ASP 29 14.425 -1.900 4.731 182 H TRP 30 H TRP 30 14.533 -1.524 1.048 183 HA TRP 30 HA TRP 30 16.850 0.339 1.346 184 HB3 TRP 30 1HB TRP 30 17.481 -1.752 2.217 185 HD1 TRP 30 HD TRP 30 16.098 -3.898 2.637 186 HE1 TRP 30 HE1 TRP 30 15.512 -5.987 1.275 187 HE3 TRP 30 HE3 TRP 30 17.665 -2.299 -1.970 188 HZ2 TRP 30 HZ2 TRP 30 15.581 -6.803 -1.501 189 HZ3 TRP 30 HZ3 TRP 30 17.403 -3.751 -3.941 190 HH2 TRP 30 HH TRP 30 16.346 -5.999 -3.745 191 H CYS 31 H CYS 31 14.493 -0.819 -1.002 192 HA CYS 31 HA CYS 31 16.129 -0.221 -3.322 193 HB2 CYS 31 1HB CYS 31 14.219 -1.724 -3.464 194 HB3 CYS 31 2HB CYS 31 13.118 -0.416 -3.003 195 H GLY 32 H GLY 32 16.190 1.618 -4.576 196 HA2 GLY 32 1HA GLY 32 15.985 4.220 -3.326 197 HA3 GLY 32 2HA GLY 32 16.340 3.885 -5.023 198 H HIS 33 H HIS 33 13.710 2.369 -5.381 199 HA HIS 33 HA HIS 33 11.871 4.555 -5.907 200 HB2 HIS 33 1HB HIS 33 11.321 1.576 -5.408 201 HB3 HIS 33 2HB HIS 33 10.217 2.731 -6.114 202 HD1 HIS 33 HD1 HIS 33 12.678 0.193 -7.079 203 HD2 HIS 33 HD2 HIS 33 11.011 3.720 -8.637 204 HE1 HIS 33 HE1 HIS 33 12.778 -0.028 -9.638 205 H CYS 34 H CYS 34 12.166 2.160 -3.287 206 HA CYS 34 HA CYS 34 9.905 3.048 -1.758 207 HB3 CYS 34 1HB CYS 34 11.341 1.752 0.050 208 HG CYS 34 HG CYS 34 10.241 0.635 -2.925 209 H GLN 35 H GLN 35 13.332 4.028 -1.694 210 HA GLN 35 HA GLN 35 13.138 5.399 0.796 211 HB3 GLN 35 1HB GLN 35 15.141 6.674 0.105 212 HG3 GLN 35 1HG GLN 35 16.718 4.982 -0.379 213 HE21 GLN 35 2HE2 GLN 35 14.707 2.307 -0.048 214 HE22 GLN 35 1HE2 GLN 35 14.883 2.143 1.707 215 H ALA 36 H ALA 36 12.000 6.255 -2.340 216 HA ALA 36 HA ALA 36 11.444 9.096 -1.705 217 HB1 ALA 36 3HB ALA 36 10.927 7.394 -4.192 218 HB2 ALA 36 1HB ALA 36 10.654 9.143 -4.042 219 HB3 ALA 36 2HB ALA 36 12.302 8.489 -3.934 220 H ALA 37 H ALA 37 9.634 6.007 -2.203 221 HA ALA 37 HA ALA 37 7.055 7.358 -1.953 222 HB1 ALA 37 3HB ALA 37 7.393 5.480 -3.481 223 HB2 ALA 37 1HB ALA 37 7.742 4.404 -2.101 224 HB3 ALA 37 2HB ALA 37 6.120 5.148 -2.294 225 H GLN 38 H GLN 38 9.165 5.553 0.264 226 HA GLN 38 HA GLN 38 7.263 4.906 2.292 227 HB3 GLN 38 1HB GLN 38 9.380 5.092 3.784 228 HG3 GLN 38 1HG GLN 38 9.369 3.166 1.421 229 HE21 GLN 38 2HE2 GLN 38 9.774 2.179 4.787 230 HE22 GLN 38 1HE2 GLN 38 11.490 1.807 4.654 231 HA PRO 39 HA PRO 39 7.978 9.064 4.481 232 HB3 PRO 39 1HB PRO 39 10.113 9.922 4.169 233 HG3 PRO 39 1HG PRO 39 11.202 9.796 2.038 234 HD3 PRO 39 1HD PRO 39 10.614 7.603 2.647 235 H LEU 40 H LEU 40 7.145 8.759 1.106 236 HA LEU 40 HA LEU 40 5.391 11.067 0.884 237 HB3 LEU 40 1HB LEU 40 4.725 8.643 -0.714 238 HG LEU 40 HG LEU 40 4.837 9.906 -2.591 239 HD11 LEU 40 1HD1 LEU 40 3.400 11.687 -2.282 240 HD12 LEU 40 2HD1 LEU 40 4.103 12.161 -0.723 241 HD13 LEU 40 3HD1 LEU 40 3.090 10.716 -0.840 242 HD21 LEU 40 3HD2 LEU 40 6.546 11.991 -1.172 243 HD22 LEU 40 1HD2 LEU 40 5.950 12.083 -2.855 244 HD23 LEU 40 2HD2 LEU 40 7.085 10.807 -2.383 245 H LEU 41 H LEU 41 4.838 7.570 1.356 246 HA LEU 41 HA LEU 41 2.054 7.754 1.944 247 HB3 LEU 41 1HB LEU 41 2.647 5.502 3.253 248 HG LEU 41 HG LEU 41 2.478 4.149 1.365 249 HD11 LEU 41 1HD1 LEU 41 0.922 6.644 0.631 250 HD12 LEU 41 2HD1 LEU 41 0.464 5.448 1.861 251 HD13 LEU 41 3HD1 LEU 41 0.579 4.969 0.146 252 HD21 LEU 41 3HD2 LEU 41 3.489 6.471 -0.288 253 HD22 LEU 41 1HD2 LEU 41 2.785 4.986 -0.967 254 HD23 LEU 41 2HD2 LEU 41 4.265 4.914 -0.003 255 H ALA 42 H ALA 42 4.897 7.809 4.072 256 HA ALA 42 HA ALA 42 3.522 7.958 6.558 257 HB1 ALA 42 3HB ALA 42 5.637 8.853 7.426 258 HB2 ALA 42 1HB ALA 42 5.969 7.567 6.252 259 HB3 ALA 42 2HB ALA 42 6.166 9.277 5.783 260 H GLU 43 H GLU 43 4.299 10.614 4.268 261 HA GLU 43 HA GLU 43 3.310 12.716 5.987 262 HB3 GLU 43 1HB GLU 43 3.253 14.010 3.766 263 HG3 GLU 43 1HG GLU 43 5.793 13.871 3.535 264 H VAL 44 H VAL 44 1.789 10.956 3.194 265 HA VAL 44 HA VAL 44 -0.697 12.386 3.469 266 HB VAL 44 HB VAL 44 -0.368 11.428 1.398 267 HG11 VAL 44 1HG1 VAL 44 1.114 9.633 1.802 268 HG12 VAL 44 2HG1 VAL 44 -0.183 8.647 2.560 269 HG13 VAL 44 3HG1 VAL 44 -0.244 9.115 0.848 270 HG21 VAL 44 3HG2 VAL 44 -2.361 10.145 0.988 271 HG22 VAL 44 1HG2 VAL 44 -2.417 9.585 2.663 272 HG23 VAL 44 2HG2 VAL 44 -2.735 11.281 2.302 273 H PHE 45 H PHE 45 0.249 9.151 4.715 274 HA PHE 45 HA PHE 45 -2.204 8.438 5.921 275 HB3 PHE 45 1HB PHE 45 -0.406 7.298 7.639 276 HD1 PHE 45 HD1 PHE 45 -2.691 6.155 7.211 277 HD2 PHE 45 HD2 PHE 45 0.709 5.847 4.566 278 HE1 PHE 45 HE1 PHE 45 -3.501 3.971 6.353 279 HE2 PHE 45 HE2 PHE 45 -0.096 3.676 3.767 280 HZ PHE 45 HZ PHE 45 -2.232 2.744 4.642 281 H SER 46 H SER 46 0.141 10.772 7.130 282 HA SER 46 HA SER 46 -0.705 10.818 9.870 283 HB3 SER 46 1HB SER 46 0.266 13.117 9.851 284 HG SER 46 HG SER 46 1.952 11.236 8.521 285 H ASP 47 H ASP 47 -2.354 12.033 6.992 286 HA ASP 47 HA ASP 47 -4.277 13.570 8.683 287 HB3 ASP 47 1HB ASP 47 -4.178 13.362 5.662 288 H TYR 48 H TYR 48 -3.905 10.465 7.384 289 HA TYR 48 HA TYR 48 -6.816 9.871 7.677 290 HB3 TYR 48 1HB TYR 48 -6.799 8.395 5.798 291 HD1 TYR 48 HD1 TYR 48 -8.346 10.310 5.194 292 HD2 TYR 48 HD2 TYR 48 -4.129 10.413 4.393 293 HE1 TYR 48 HE1 TYR 48 -8.700 12.213 3.667 294 HE2 TYR 48 HE2 TYR 48 -4.441 12.454 3.011 295 HH TYR 48 HH TYR 48 -5.931 13.951 2.132 296 HA PRO 49 HA PRO 49 -3.821 7.029 10.077 297 HB3 PRO 49 1HB PRO 49 -3.324 8.481 11.793 298 HG3 PRO 49 1HG PRO 49 -4.836 10.236 12.412 299 HD3 PRO 49 1HD PRO 49 -4.418 10.422 10.092 300 H GLU 50 H GLU 50 -7.322 7.512 10.144 301 HA GLU 50 HA GLU 50 -8.000 5.018 11.367 302 HB3 GLU 50 1HB GLU 50 -9.532 6.920 11.152 303 HG3 GLU 50 1HG GLU 50 -9.830 6.119 8.222 304 H VAL 51 H VAL 51 -6.568 5.597 8.287 305 HA VAL 51 HA VAL 51 -7.558 3.083 7.046 306 HB VAL 51 HB VAL 51 -5.439 5.047 6.094 307 HG11 VAL 51 1HG1 VAL 51 -5.679 3.984 3.884 308 HG12 VAL 51 2HG1 VAL 51 -5.088 2.823 5.069 309 HG13 VAL 51 3HG1 VAL 51 -6.791 2.782 4.575 310 HG21 VAL 51 3HG2 VAL 51 -8.333 4.744 5.246 311 HG22 VAL 51 1HG2 VAL 51 -7.628 6.112 6.114 312 HG23 VAL 51 2HG2 VAL 51 -7.135 5.778 4.448 313 H GLY 52 H GLY 52 -6.362 1.189 6.986 314 HA2 GLY 52 1HA GLY 52 -3.998 0.900 8.780 315 HA3 GLY 52 2HA GLY 52 -4.931 -0.401 8.025 316 H HIS 53 H HIS 53 -2.026 -0.136 8.041 317 HA HIS 53 HA HIS 53 -1.622 -0.122 5.086 318 HB2 HIS 53 1HB HIS 53 -0.587 1.872 6.442 319 HB3 HIS 53 2HB HIS 53 0.584 0.684 6.989 320 HD1 HIS 53 HD1 HIS 53 2.436 2.208 5.577 321 HD2 HIS 53 HD2 HIS 53 -0.595 0.400 3.308 322 HE1 HIS 53 HE1 HIS 53 3.092 2.449 3.094 323 H LEU 54 H LEU 54 -0.710 -1.975 4.296 324 HA LEU 54 HA LEU 54 0.759 -3.801 6.167 325 HB3 LEU 54 1HB LEU 54 -0.562 -4.700 3.594 326 HG LEU 54 HG LEU 54 -0.747 -6.834 4.563 327 HD11 LEU 54 1HD1 LEU 54 1.472 -7.558 5.101 328 HD12 LEU 54 2HD1 LEU 54 1.952 -5.946 5.657 329 HD13 LEU 54 3HD1 LEU 54 1.622 -6.239 3.936 330 HD21 LEU 54 3HD2 LEU 54 -0.339 -7.371 6.920 331 HD22 LEU 54 1HD2 LEU 54 -1.590 -6.129 6.777 332 HD23 LEU 54 2HD2 LEU 54 0.055 -5.673 7.277 333 H LYS 55 H LYS 55 2.860 -3.372 5.893 334 HA LYS 55 HA LYS 55 4.035 -2.685 3.276 335 HB3 LYS 55 1HB LYS 55 6.141 -2.897 4.777 336 HG3 LYS 55 1HG LYS 55 4.114 -0.707 4.862 337 HD3 LYS 55 1HD LYS 55 5.929 0.763 5.711 338 HE3 LYS 55 1HE LYS 55 5.289 -1.461 7.708 339 HZ1 LYS 55 3HZ LYS 55 6.837 0.323 8.398 340 HZ2 LYS 55 1HZ LYS 55 5.463 0.357 9.284 341 HZ3 LYS 55 2HZ LYS 55 5.722 1.453 8.085 342 H VAL 56 H VAL 56 3.915 -4.385 1.913 343 HA VAL 56 HA VAL 56 4.861 -7.106 2.717 344 HB VAL 56 HB VAL 56 3.925 -6.113 -0.022 345 HG11 VAL 56 1HG1 VAL 56 5.185 -8.235 -0.105 346 HG12 VAL 56 2HG1 VAL 56 4.135 -8.923 1.155 347 HG13 VAL 56 3HG1 VAL 56 3.491 -8.523 -0.453 348 HG21 VAL 56 3HG2 VAL 56 2.076 -5.793 1.607 349 HG22 VAL 56 1HG2 VAL 56 1.729 -7.038 0.417 350 HG23 VAL 56 2HG2 VAL 56 2.206 -7.509 2.068 351 H GLU 57 H GLU 57 6.857 -7.470 2.823 352 HA GLU 57 HA GLU 57 8.829 -6.066 1.228 353 HB3 GLU 57 1HB GLU 57 9.381 -8.654 2.677 354 HG3 GLU 57 1HG GLU 57 10.838 -6.032 2.285 355 H ASP 58 H ASP 58 9.004 -6.394 -0.889 356 HA ASP 58 HA ASP 58 8.065 -8.925 -2.130 357 HB3 ASP 58 1HB ASP 58 8.867 -6.291 -3.421 358 H GLY 59 H GLY 59 9.268 -10.261 -3.372 359 HA2 GLY 59 1HA GLY 59 11.806 -9.963 -4.497 360 HA3 GLY 59 2HA GLY 59 12.094 -10.485 -2.847 361 HA PRO 60 HA PRO 60 11.370 -14.270 -5.553 362 HB3 PRO 60 1HB PRO 60 13.573 -14.496 -6.159 363 HG3 PRO 60 1HG PRO 60 15.316 -13.551 -4.831 364 HD3 PRO 60 1HD PRO 60 13.798 -11.783 -5.215 365 H GLY 61 H GLY 61 10.300 -16.021 -4.787 366 HA2 GLY 61 1HA GLY 61 9.423 -17.568 -3.285 367 HA3 GLY 61 2HA GLY 61 10.471 -16.917 -1.996 368 H ARG 62 H ARG 62 8.852 -14.299 -3.313 369 HA ARG 62 HA ARG 62 6.493 -14.533 -1.475 370 HB3 ARG 62 1HB ARG 62 6.564 -12.059 -1.288 371 HG3 ARG 62 1HG ARG 62 8.730 -11.711 -0.082 372 HD3 ARG 62 1HD ARG 62 6.714 -12.727 1.080 373 HE ARG 62 HE ARG 62 7.805 -15.173 0.089 374 HH11 ARG 62 1HH1 ARG 62 6.491 -14.009 3.177 375 HH12 ARG 62 2HH1 ARG 62 5.926 -15.602 3.600 376 HH21 ARG 62 1HH2 ARG 62 7.062 -17.115 0.670 377 HH22 ARG 62 2HH2 ARG 62 6.281 -17.361 2.214 378 H ARG 63 H ARG 63 4.581 -14.434 -2.368 379 HA ARG 63 HA ARG 63 4.422 -14.072 -5.318 380 HB3 ARG 63 1HB ARG 63 2.318 -15.601 -3.812 381 HG3 ARG 63 1HG ARG 63 3.081 -17.388 -5.483 382 HD3 ARG 63 1HD ARG 63 2.020 -14.845 -6.757 383 HE ARG 63 HE ARG 63 2.552 -17.409 -7.885 384 HH11 ARG 63 1HH1 ARG 63 -0.092 -15.024 -7.839 385 HH12 ARG 63 2HH1 ARG 63 -0.591 -15.432 -9.456 386 HH21 ARG 63 1HH2 ARG 63 1.755 -17.947 -9.918 387 HH22 ARG 63 2HH2 ARG 63 0.400 -17.094 -10.592 388 H LEU 64 H LEU 64 3.147 -12.543 -2.474 389 HA LEU 64 HA LEU 64 0.495 -12.140 -3.223 390 HB3 LEU 64 1HB LEU 64 2.217 -10.242 -1.571 391 HG LEU 64 HG LEU 64 -0.050 -9.318 -1.856 392 HD11 LEU 64 1HD1 LEU 64 -1.377 -11.256 -2.420 393 HD12 LEU 64 2HD1 LEU 64 -2.011 -10.633 -0.895 394 HD13 LEU 64 3HD1 LEU 64 -0.979 -12.071 -0.890 395 HD21 LEU 64 3HD2 LEU 64 1.150 -9.190 0.342 396 HD22 LEU 64 1HD2 LEU 64 0.273 -10.616 0.889 397 HD23 LEU 64 2HD2 LEU 64 -0.619 -9.127 0.507 398 H GLY 65 H GLY 65 3.195 -9.838 -3.943 399 HA2 GLY 65 1HA GLY 65 1.560 -7.940 -5.336 400 HA3 GLY 65 2HA GLY 65 3.322 -8.119 -5.490 401 H ARG 66 H ARG 66 2.988 -10.953 -6.470 402 HA ARG 66 HA ARG 66 2.477 -10.448 -9.304 403 HB3 ARG 66 1HB ARG 66 2.951 -13.068 -7.825 404 HG3 ARG 66 1HG ARG 66 3.182 -12.328 -10.773 405 HD3 ARG 66 1HD ARG 66 3.771 -14.938 -9.323 406 HE ARG 66 HE ARG 66 3.251 -15.731 -11.422 407 HH11 ARG 66 1HH1 ARG 66 5.383 -12.937 -11.872 408 HH12 ARG 66 2HH1 ARG 66 5.603 -13.273 -13.562 409 HH21 ARG 66 1HH2 ARG 66 3.571 -16.087 -13.614 410 HH22 ARG 66 2HH2 ARG 66 4.595 -15.026 -14.533 411 H SER 67 H SER 67 0.673 -12.031 -6.622 412 HA SER 67 HA SER 67 -1.640 -12.684 -8.289 413 HB3 SER 67 1HB SER 67 -2.673 -13.311 -6.152 414 HG SER 67 HG SER 67 -1.104 -14.839 -5.478 415 H PHE 68 H PHE 68 -0.596 -9.785 -6.712 416 HA PHE 68 HA PHE 68 -3.213 -8.479 -7.179 417 HB3 PHE 68 1HB PHE 68 -1.612 -6.406 -6.657 418 HD1 PHE 68 HD1 PHE 68 -3.899 -6.008 -5.843 419 HD2 PHE 68 HD2 PHE 68 -1.182 -8.676 -3.888 420 HE1 PHE 68 HE1 PHE 68 -5.337 -5.972 -3.797 421 HE2 PHE 68 HE2 PHE 68 -2.538 -8.587 -1.824 422 HZ PHE 68 HZ PHE 68 -4.659 -7.255 -1.790 423 H GLN 69 H GLN 69 -0.586 -9.397 -9.100 424 HA GLN 69 HA GLN 69 0.249 -8.764 -11.118 425 HB3 GLN 69 1HB GLN 69 -1.416 -8.069 -12.800 426 HG3 GLN 69 1HG GLN 69 -1.159 -10.463 -12.046 427 HE21 GLN 69 2HE2 GLN 69 -3.934 -8.888 -10.316 428 HE22 GLN 69 1HE2 GLN 69 -4.187 -10.328 -9.338 429 H VAL 70 H VAL 70 1.122 -7.168 -9.230 430 HA VAL 70 HA VAL 70 0.755 -4.364 -9.450 431 HB VAL 70 HB VAL 70 3.022 -6.128 -8.494 432 HG11 VAL 70 1HG1 VAL 70 4.279 -4.239 -9.265 433 HG12 VAL 70 2HG1 VAL 70 3.085 -3.102 -8.619 434 HG13 VAL 70 3HG1 VAL 70 4.091 -4.057 -7.512 435 HG21 VAL 70 3HG2 VAL 70 1.226 -4.129 -7.052 436 HG22 VAL 70 1HG2 VAL 70 0.921 -5.882 -7.144 437 HG23 VAL 70 2HG2 VAL 70 2.370 -5.282 -6.320 438 H LYS 71 H LYS 71 1.565 -2.791 -10.686 439 HA LYS 71 HA LYS 71 2.513 -3.541 -13.368 440 HB3 LYS 71 1HB LYS 71 2.134 -1.024 -13.742 441 HG3 LYS 71 1HG LYS 71 0.524 -2.945 -14.273 442 HD3 LYS 71 1HD LYS 71 -1.181 -1.449 -12.217 443 HE3 LYS 71 1HE LYS 71 -2.564 -3.559 -12.502 444 HZ1 LYS 71 3HZ LYS 71 -2.147 -2.024 -15.027 445 HZ2 LYS 71 1HZ LYS 71 -3.166 -1.582 -13.812 446 HZ3 LYS 71 2HZ LYS 71 -3.453 -2.939 -14.674 447 H LEU 72 H LEU 72 3.552 -0.483 -12.025 448 HA LEU 72 HA LEU 72 6.389 -1.184 -12.368 449 HB3 LEU 72 1HB LEU 72 5.349 1.320 -11.017 450 HG LEU 72 HG LEU 72 7.878 0.757 -11.227 451 HD11 LEU 72 1HD1 LEU 72 8.908 1.338 -13.386 452 HD12 LEU 72 2HD1 LEU 72 7.308 1.549 -14.118 453 HD13 LEU 72 3HD1 LEU 72 7.833 -0.057 -13.576 454 HD21 LEU 72 3HD2 LEU 72 6.795 3.364 -12.361 455 HD22 LEU 72 1HD2 LEU 72 8.441 3.111 -11.751 456 HD23 LEU 72 2HD2 LEU 72 7.064 2.973 -10.642 457 H TRP 73 H TRP 73 7.808 -1.525 -10.615 458 HA TRP 73 HA TRP 73 6.763 -3.152 -8.643 459 HB3 TRP 73 1HB TRP 73 9.323 -1.591 -8.531 460 HD1 TRP 73 HD TRP 73 8.577 -5.371 -8.175 461 HE1 TRP 73 HE1 TRP 73 9.513 -6.190 -5.934 462 HE3 TRP 73 HE3 TRP 73 10.073 -0.867 -6.317 463 HZ2 TRP 73 HZ2 TRP 73 11.038 -5.015 -3.719 464 HZ3 TRP 73 HZ3 TRP 73 11.245 -0.738 -4.145 465 HH2 TRP 73 HH TRP 73 11.780 -2.792 -2.870 466 HA PRO 74 HA PRO 74 6.620 0.140 -5.285 467 HB3 PRO 74 1HB PRO 74 8.239 1.775 -5.558 468 HG3 PRO 74 1HG PRO 74 8.619 2.799 -7.717 469 HD3 PRO 74 1HD PRO 74 8.939 0.487 -7.998 470 H THR 75 H THR 75 4.530 -0.778 -5.614 471 HA THR 75 HA THR 75 2.367 1.156 -6.366 472 HB THR 75 HB THR 75 2.526 -1.856 -6.897 473 HG1 THR 75 HG1 THR 75 3.401 -0.682 -8.565 474 HG21 THR 75 3HG2 THR 75 0.292 -1.646 -7.970 475 HG22 THR 75 1HG2 THR 75 0.127 -0.024 -7.242 476 HG23 THR 75 2HG2 THR 75 0.234 -1.484 -6.218 477 H PHE 76 H PHE 76 0.655 1.179 -5.056 478 HA PHE 76 HA PHE 76 0.452 -0.804 -2.886 479 HB3 PHE 76 1HB PHE 76 1.294 0.814 -1.495 480 HD1 PHE 76 HD1 PHE 76 2.991 1.953 -2.970 481 HD2 PHE 76 HD2 PHE 76 -1.022 3.430 -2.333 482 HE1 PHE 76 HE1 PHE 76 3.683 4.181 -3.824 483 HE2 PHE 76 HE2 PHE 76 -0.297 5.656 -3.092 484 HZ PHE 76 HZ PHE 76 2.001 6.001 -3.958 485 H VAL 77 H VAL 77 -1.458 -1.622 -2.692 486 HA VAL 77 HA VAL 77 -3.665 -0.653 -4.458 487 HB VAL 77 HB VAL 77 -3.258 -3.417 -3.294 488 HG11 VAL 77 1HG1 VAL 77 -4.959 -4.081 -4.961 489 HG12 VAL 77 2HG1 VAL 77 -5.629 -2.853 -3.890 490 HG13 VAL 77 3HG1 VAL 77 -5.095 -2.429 -5.525 491 HG21 VAL 77 3HG2 VAL 77 -1.435 -2.929 -4.883 492 HG22 VAL 77 1HG2 VAL 77 -2.574 -4.061 -5.609 493 HG23 VAL 77 2HG2 VAL 77 -2.607 -2.352 -6.081 494 H PHE 78 H PHE 78 -5.463 0.136 -3.592 495 HA PHE 78 HA PHE 78 -5.800 0.160 -0.636 496 HB3 PHE 78 1HB PHE 78 -7.629 1.754 -1.115 497 HD1 PHE 78 HD2 PHE 78 -4.912 2.289 -3.625 498 HD2 PHE 78 HD1 PHE 78 -6.479 3.415 0.224 499 HE1 PHE 78 HE2 PHE 78 -3.159 4.041 -3.414 500 HE2 PHE 78 HE1 PHE 78 -4.786 5.234 0.358 501 HZ PHE 78 HZ PHE 78 -3.145 5.534 -1.483 502 H LEU 79 H LEU 79 -6.878 -1.425 0.260 503 HA LEU 79 HA LEU 79 -9.050 -2.834 -1.201 504 HB3 LEU 79 1HB LEU 79 -8.816 -4.475 0.765 505 HG LEU 79 HG LEU 79 -6.699 -5.536 0.208 506 HD11 LEU 79 1HD1 LEU 79 -7.416 -6.490 -1.897 507 HD12 LEU 79 2HD1 LEU 79 -8.442 -5.096 -2.202 508 HD13 LEU 79 3HD1 LEU 79 -8.830 -6.194 -0.865 509 HD21 LEU 79 3HD2 LEU 79 -5.521 -3.503 -0.667 510 HD22 LEU 79 1HD2 LEU 79 -6.588 -3.584 -2.096 511 HD23 LEU 79 2HD2 LEU 79 -5.424 -4.892 -1.756 512 H ARG 80 H ARG 80 -10.880 -3.256 -0.135 513 HA ARG 80 HA ARG 80 -11.605 -2.434 2.499 514 HB3 ARG 80 1HB ARG 80 -13.138 -0.852 0.395 515 HG3 ARG 80 1HG ARG 80 -12.625 -0.523 3.379 516 HD3 ARG 80 1HD ARG 80 -14.196 1.301 1.495 517 HE ARG 80 HE ARG 80 -14.738 1.005 4.087 518 HH11 ARG 80 1HH1 ARG 80 -12.925 3.705 2.568 519 HH12 ARG 80 2HH1 ARG 80 -13.445 4.807 3.814 520 HH21 ARG 80 1HH2 ARG 80 -15.297 2.534 5.627 521 HH22 ARG 80 2HH2 ARG 80 -14.732 4.172 5.485 522 H ASP 81 H ASP 81 -13.457 -3.500 3.122 523 HA ASP 81 HA ASP 81 -15.027 -5.177 3.117 524 HB3 ASP 81 1HB ASP 81 -15.631 -4.361 0.244 525 H GLY 82 H GLY 82 -12.339 -5.894 2.326 526 HA2 GLY 82 1HA GLY 82 -11.182 -7.832 1.739 527 HA3 GLY 82 2HA GLY 82 -12.721 -8.565 1.239 528 H ARG 83 H ARG 83 -12.264 -5.598 -0.370 529 HA ARG 83 HA ARG 83 -11.444 -6.986 -2.883 530 HB3 ARG 83 1HB ARG 83 -13.816 -5.194 -2.185 531 HG3 ARG 83 1HG ARG 83 -13.103 -6.510 -4.847 532 HD3 ARG 83 1HD ARG 83 -15.491 -6.839 -4.264 533 HE ARG 83 HE ARG 83 -15.908 -3.888 -4.361 534 HH11 ARG 83 1HH1 ARG 83 -16.290 -6.855 -2.432 535 HH12 ARG 83 2HH1 ARG 83 -17.197 -6.001 -1.202 536 HH21 ARG 83 1HH2 ARG 83 -17.174 -2.939 -2.740 537 HH22 ARG 83 2HH2 ARG 83 -17.721 -3.931 -1.405 538 H GLU 84 H GLU 84 -10.374 -5.731 -4.387 539 HA GLU 84 HA GLU 84 -9.027 -3.334 -3.538 540 HB3 GLU 84 1HB GLU 84 -9.271 -4.672 -6.243 541 HG3 GLU 84 1HG GLU 84 -7.598 -2.271 -5.461 542 H VAL 85 H VAL 85 -9.817 -1.404 -3.345 543 HA VAL 85 HA VAL 85 -12.195 -0.509 -4.915 544 HB VAL 85 HB VAL 85 -12.141 1.487 -3.398 545 HG11 VAL 85 1HG1 VAL 85 -13.666 -0.448 -3.089 546 HG12 VAL 85 2HG1 VAL 85 -12.472 -1.197 -2.005 547 HG13 VAL 85 3HG1 VAL 85 -13.239 0.351 -1.568 548 HG21 VAL 85 3HG2 VAL 85 -10.937 1.461 -1.315 549 HG22 VAL 85 1HG2 VAL 85 -10.292 -0.151 -1.621 550 HG23 VAL 85 2HG2 VAL 85 -9.729 1.227 -2.589 551 H ALA 86 H ALA 86 -8.752 -0.060 -4.668 552 HA ALA 86 HA ALA 86 -8.530 1.310 -7.175 553 HB1 ALA 86 3HB ALA 86 -9.295 3.257 -5.821 554 HB2 ALA 86 1HB ALA 86 -8.011 2.913 -4.624 555 HB3 ALA 86 2HB ALA 86 -7.607 3.454 -6.251 556 H ARG 87 H ARG 87 -6.179 2.188 -7.353 557 HA ARG 87 HA ARG 87 -4.322 1.384 -5.330 558 HB3 ARG 87 1HB ARG 87 -4.379 -0.716 -6.538 559 HG3 ARG 87 1HG ARG 87 -3.364 0.913 -8.913 560 HD3 ARG 87 1HD ARG 87 -2.188 -1.221 -8.321 561 HE ARG 87 HE ARG 87 -4.856 -2.337 -8.428 562 HH11 ARG 87 1HH1 ARG 87 -1.565 -3.204 -9.463 563 HH12 ARG 87 2HH1 ARG 87 -1.952 -4.914 -9.448 564 HH21 ARG 87 1HH2 ARG 87 -5.198 -4.513 -8.318 565 HH22 ARG 87 2HH2 ARG 87 -3.914 -5.619 -8.822 566 H VAL 88 H VAL 88 -2.289 2.355 -5.577 567 HA VAL 88 HA VAL 88 -2.057 4.515 -7.685 568 HB VAL 88 HB VAL 88 -1.366 4.636 -4.764 569 HG11 VAL 88 1HG1 VAL 88 -0.589 7.007 -5.202 570 HG12 VAL 88 2HG1 VAL 88 0.434 5.816 -6.018 571 HG13 VAL 88 3HG1 VAL 88 -0.798 6.712 -6.935 572 HG21 VAL 88 3HG2 VAL 88 -3.759 5.153 -5.277 573 HG22 VAL 88 1HG2 VAL 88 -2.863 6.456 -4.494 574 HG23 VAL 88 2HG2 VAL 88 -3.205 6.521 -6.249 575 H VAL 89 H VAL 89 -0.080 4.672 -8.617 576 HA VAL 89 HA VAL 89 2.140 2.908 -7.746 577 HB VAL 89 HB VAL 89 0.974 1.555 -9.338 578 HG11 VAL 89 1HG1 VAL 89 -0.431 3.170 -10.496 579 HG12 VAL 89 2HG1 VAL 89 1.003 3.862 -11.308 580 HG13 VAL 89 3HG1 VAL 89 0.479 2.193 -11.641 581 HG21 VAL 89 3HG2 VAL 89 3.264 2.854 -10.887 582 HG22 VAL 89 1HG2 VAL 89 3.502 1.720 -9.546 583 HG23 VAL 89 2HG2 VAL 89 2.658 1.197 -11.015 584 H ARG 90 H ARG 90 4.120 3.731 -8.062 585 HA ARG 90 HA ARG 90 5.716 5.296 -8.212 586 HB3 ARG 90 1HB ARG 90 4.435 5.959 -10.882 587 HG3 ARG 90 1HG ARG 90 7.335 5.621 -10.792 588 HD3 ARG 90 1HD ARG 90 5.598 8.057 -11.320 589 HE ARG 90 HE ARG 90 8.481 7.739 -11.396 590 HH11 ARG 90 1HH1 ARG 90 5.866 9.390 -13.077 591 HH12 ARG 90 2HH1 ARG 90 6.893 10.683 -13.616 592 HH21 ARG 90 1HH2 ARG 90 9.774 9.418 -12.131 593 HH22 ARG 90 2HH2 ARG 90 9.084 10.699 -13.081 594 HA PRO 91 HA PRO 91 2.645 8.655 -6.775 595 HB3 PRO 91 1HB PRO 91 2.645 7.982 -4.661 596 HG3 PRO 91 1HG PRO 91 4.439 6.717 -3.735 597 HD3 PRO 91 1HD PRO 91 3.829 5.621 -5.768 598 H GLY 92 H GLY 92 2.944 10.580 -7.792 599 HA2 GLY 92 1HA GLY 92 5.599 11.561 -8.498 600 HA3 GLY 92 2HA GLY 92 4.032 12.263 -8.947 601 H SER 93 H SER 93 3.161 12.466 -6.149 602 HA SER 93 HA SER 93 4.913 13.963 -4.500 603 HB3 SER 93 1HB SER 93 2.814 15.695 -5.873 604 HG SER 93 HG SER 93 4.063 17.350 -4.799 605 H ALA 94 H ALA 94 3.708 14.849 -2.591 606 HA ALA 94 HA ALA 94 1.825 13.037 -1.505 607 HB1 ALA 94 3HB ALA 94 1.648 14.740 0.277 608 HB2 ALA 94 1HB ALA 94 3.336 14.529 -0.210 609 HB3 ALA 94 2HB ALA 94 2.422 15.949 -0.772 610 H SER 95 H SER 95 1.218 16.088 -3.296 611 HA SER 95 HA SER 95 -1.566 16.305 -2.873 612 HB3 SER 95 1HB SER 95 -0.355 18.024 -4.016 613 HG SER 95 HG SER 95 0.536 17.651 -6.108 614 H VAL 96 H VAL 96 0.176 14.195 -5.175 615 HA VAL 96 HA VAL 96 -2.267 13.194 -6.444 616 HB VAL 96 HB VAL 96 0.595 12.110 -6.559 617 HG11 VAL 96 1HG1 VAL 96 -1.031 10.414 -7.308 618 HG12 VAL 96 2HG1 VAL 96 -1.774 11.612 -8.398 619 HG13 VAL 96 3HG1 VAL 96 -0.112 11.053 -8.680 620 HG21 VAL 96 3HG2 VAL 96 0.761 13.277 -8.734 621 HG22 VAL 96 1HG2 VAL 96 -0.830 14.016 -8.455 622 HG23 VAL 96 2HG2 VAL 96 0.561 14.413 -7.408 623 H LEU 97 H LEU 97 -0.056 12.018 -3.902 624 HA LEU 97 HA LEU 97 -1.377 9.446 -3.626 625 HB3 LEU 97 1HB LEU 97 0.055 10.393 -1.246 626 HG LEU 97 HG LEU 97 0.716 8.285 -3.390 627 HD11 LEU 97 1HD1 LEU 97 2.168 7.265 -1.776 628 HD12 LEU 97 2HD1 LEU 97 1.866 8.572 -0.595 629 HD13 LEU 97 3HD1 LEU 97 2.699 8.895 -2.137 630 HD21 LEU 97 3HD2 LEU 97 -1.307 7.551 -2.446 631 HD22 LEU 97 1HD2 LEU 97 -0.975 8.302 -0.892 632 HD23 LEU 97 2HD2 LEU 97 -0.135 6.829 -1.323 633 H GLU 98 H GLU 98 -1.527 12.447 -1.662 634 HA GLU 98 HA GLU 98 -3.611 11.744 0.060 635 HB3 GLU 98 1HB GLU 98 -4.099 14.206 0.140 636 HG3 GLU 98 1HG GLU 98 -1.128 13.525 0.378 637 H GLU 99 H GLU 99 -3.899 13.143 -3.261 638 HA GLU 99 HA GLU 99 -6.679 13.472 -3.364 639 HB3 GLU 99 1HB GLU 99 -4.625 12.734 -5.468 640 HG3 GLU 99 1HG GLU 99 -7.552 13.327 -5.842 641 H ALA 100 H ALA 100 -4.802 10.496 -3.785 642 HA ALA 100 HA ALA 100 -7.181 8.881 -4.455 643 HB1 ALA 100 3HB ALA 100 -4.982 8.319 -5.380 644 HB2 ALA 100 1HB ALA 100 -4.332 8.115 -3.740 645 HB3 ALA 100 2HB ALA 100 -5.584 6.997 -4.349 646 H PHE 101 H PHE 101 -5.150 9.472 -1.533 647 HA PHE 101 HA PHE 101 -6.377 7.507 0.105 648 HB3 PHE 101 1HB PHE 101 -5.736 9.456 1.866 649 HD1 PHE 101 HD2 PHE 101 -3.252 7.863 -0.582 650 HD2 PHE 101 HD1 PHE 101 -5.018 7.824 3.377 651 HE1 PHE 101 HE2 PHE 101 -1.623 6.207 0.160 652 HE2 PHE 101 HE1 PHE 101 -3.347 6.166 4.084 653 HZ PHE 101 HZ PHE 101 -1.614 5.365 2.452 654 H GLU 102 H GLU 102 -7.232 10.990 -0.219 655 HA GLU 102 HA GLU 102 -9.514 10.883 1.490 656 HB3 GLU 102 1HB GLU 102 -8.654 13.000 0.906 657 HG3 GLU 102 1HG GLU 102 -8.489 12.138 -1.794 658 H SER 103 H SER 103 -9.197 9.923 -1.886 659 HA SER 103 HA SER 103 -12.047 9.716 -2.353 660 HB3 SER 103 1HB SER 103 -9.735 8.428 -3.860 661 HG SER 103 HG SER 103 -11.263 8.588 -5.614 662 H LEU 104 H LEU 104 -9.599 7.524 -1.022 663 HA LEU 104 HA LEU 104 -11.537 5.232 -1.128 664 HB3 LEU 104 1HB LEU 104 -9.498 3.892 -0.465 665 HG LEU 104 HG LEU 104 -8.721 3.518 -2.548 666 HD11 LEU 104 1HD1 LEU 104 -11.218 5.015 -3.412 667 HD12 LEU 104 2HD1 LEU 104 -11.290 3.500 -2.485 668 HD13 LEU 104 3HD1 LEU 104 -10.547 3.522 -4.078 669 HD21 LEU 104 3HD2 LEU 104 -8.506 5.115 -4.403 670 HD22 LEU 104 1HD2 LEU 104 -7.611 5.641 -2.984 671 HD23 LEU 104 2HD2 LEU 104 -9.195 6.372 -3.401 672 H VAL 105 H VAL 105 -9.960 7.307 1.199 673 HA VAL 105 HA VAL 105 -10.775 5.849 3.526 674 HB VAL 105 HB VAL 105 -9.125 7.872 3.296 675 HG11 VAL 105 1HG1 VAL 105 -9.981 10.066 3.732 676 HG12 VAL 105 2HG1 VAL 105 -10.853 9.417 2.345 677 HG13 VAL 105 3HG1 VAL 105 -11.619 9.476 3.948 678 HG21 VAL 105 3HG2 VAL 105 -9.292 8.338 5.600 679 HG22 VAL 105 1HG2 VAL 105 -11.025 7.918 5.655 680 HG23 VAL 105 2HG2 VAL 105 -9.804 6.661 5.391 681 H GLY 106 H GLY 106 -12.449 7.888 1.259 682 HA2 GLY 106 1HA GLY 106 -14.763 7.937 0.911 683 HA3 GLY 106 2HA GLY 106 -15.068 7.429 2.590 684 H GLU 107 H GLU 107 -12.810 10.039 1.931 685 HA GLU 107 HA GLU 107 -14.585 12.042 3.181 686 HB3 GLU 107 1HB GLU 107 -12.416 13.473 2.434 687 HG3 GLU 107 1HG GLU 107 -11.323 12.805 4.595 688 H GLY 108 H GLY 108 -13.450 11.104 -0.029 689 HA2 GLY 108 1HA GLY 108 -14.905 13.199 -1.470 690 HA3 GLY 108 2HA GLY 108 -14.305 11.678 -2.142 Start of MODEL 20 1 H1 MET 1 H MET 1 10.639 -4.253 15.960 2 HA MET 1 HA MET 1 10.641 -4.335 13.488 3 HB3 MET 1 1HB MET 1 8.454 -6.135 14.609 4 HG3 MET 1 1HG MET 1 8.781 -6.359 12.152 5 HE1 MET 1 3HE MET 1 11.588 -7.519 9.826 6 HE2 MET 1 1HE MET 1 10.260 -8.422 10.572 7 HE3 MET 1 2HE MET 1 9.979 -6.769 9.946 8 H LYS 2 H LYS 2 7.811 -2.989 14.900 9 HA LYS 2 HA LYS 2 6.068 -3.059 12.613 10 HB3 LYS 2 1HB LYS 2 5.281 -2.924 14.930 11 HG3 LYS 2 1HG LYS 2 6.283 -0.040 14.914 12 HD3 LYS 2 1HD LYS 2 4.752 -1.681 16.984 13 HE3 LYS 2 1HE LYS 2 6.400 -0.069 17.978 14 HZ1 LYS 2 3HZ LYS 2 4.678 1.977 16.694 15 HZ2 LYS 2 1HZ LYS 2 6.258 1.734 16.343 16 HZ3 LYS 2 2HZ LYS 2 5.820 2.293 17.807 17 H THR 3 H THR 3 8.785 -1.088 13.128 18 HA THR 3 HA THR 3 7.922 1.404 11.933 19 HB THR 3 HB THR 3 10.413 1.841 11.870 20 HG1 THR 3 HG1 THR 3 11.685 0.349 12.984 21 HG21 THR 3 3HG2 THR 3 9.277 0.875 14.542 22 HG22 THR 3 1HG2 THR 3 8.989 2.475 13.814 23 HG23 THR 3 2HG2 THR 3 10.625 2.014 14.311 24 H ARG 4 H ARG 4 10.360 -0.837 10.715 25 HA ARG 4 HA ARG 4 10.074 0.017 7.975 26 HB3 ARG 4 1HB ARG 4 12.202 -0.734 9.151 27 HG3 ARG 4 1HG ARG 4 12.913 -3.005 9.001 28 HD3 ARG 4 1HD ARG 4 11.355 -4.370 10.399 29 HE ARG 4 HE ARG 4 11.431 -1.832 11.880 30 HH11 ARG 4 1HH1 ARG 4 13.375 -4.633 10.918 31 HH12 ARG 4 2HH1 ARG 4 14.511 -4.395 12.213 32 HH21 ARG 4 1HH2 ARG 4 12.893 -1.602 13.516 33 HH22 ARG 4 2HH2 ARG 4 14.227 -2.704 13.673 34 H TYR 5 H TYR 5 10.156 -2.018 6.300 35 HA TYR 5 HA TYR 5 7.484 -2.988 6.075 36 HB3 TYR 5 1HB TYR 5 8.714 -4.511 4.295 37 HD1 TYR 5 HD1 TYR 5 9.949 -1.025 4.016 38 HD2 TYR 5 HD2 TYR 5 6.793 -3.801 3.150 39 HE1 TYR 5 HE1 TYR 5 9.078 0.531 2.293 40 HE2 TYR 5 HE2 TYR 5 5.844 -2.200 1.456 41 HH TYR 5 HH TYR 5 7.505 0.882 0.678 42 H SER 6 H SER 6 6.701 -5.194 5.899 43 HA SER 6 HA SER 6 8.016 -7.045 7.835 44 HB3 SER 6 1HB SER 6 5.701 -7.831 8.324 45 HG SER 6 HG SER 6 5.142 -5.937 9.540 46 H ALA 7 H ALA 7 8.720 -8.920 7.013 47 HA ALA 7 HA ALA 7 7.785 -9.984 4.458 48 HB1 ALA 7 3HB ALA 7 9.374 -11.796 4.984 49 HB2 ALA 7 1HB ALA 7 10.118 -10.202 5.230 50 HB3 ALA 7 2HB ALA 7 9.591 -11.171 6.631 51 H GLU 8 H GLU 8 6.866 -10.449 7.798 52 HA GLU 8 HA GLU 8 5.486 -12.956 7.453 53 HB3 GLU 8 1HB GLU 8 6.526 -12.421 9.545 54 HG3 GLU 8 1HG GLU 8 4.503 -10.157 9.859 55 H ALA 9 H ALA 9 4.564 -11.048 5.566 56 HA ALA 9 HA ALA 9 2.002 -9.929 6.252 57 HB1 ALA 9 3HB ALA 9 1.786 -9.708 3.767 58 HB2 ALA 9 1HB ALA 9 3.352 -9.123 4.376 59 HB3 ALA 9 2HB ALA 9 3.232 -10.699 3.570 60 HA PRO 10 HA PRO 10 -0.752 -13.436 5.837 61 HB3 PRO 10 1HB PRO 10 -2.468 -11.985 6.369 62 HG3 PRO 10 1HG PRO 10 -2.574 -9.768 5.375 63 HD3 PRO 10 1HD PRO 10 -0.540 -10.049 6.566 64 H ALA 11 H ALA 11 -1.733 -14.843 4.339 65 HA ALA 11 HA ALA 11 -0.769 -14.794 1.547 66 HB1 ALA 11 3HB ALA 11 -0.812 -16.918 2.833 67 HB2 ALA 11 1HB ALA 11 -2.571 -16.766 3.063 68 HB3 ALA 11 2HB ALA 11 -1.900 -17.010 1.440 69 H ARG 12 H ARG 12 -2.392 -15.134 -0.229 70 HA ARG 12 HA ARG 12 -4.128 -12.956 -0.460 71 HB3 ARG 12 1HB ARG 12 -5.040 -15.100 -2.202 72 HG3 ARG 12 1HG ARG 12 -3.864 -13.882 -3.966 73 HD3 ARG 12 1HD ARG 12 -5.232 -11.916 -2.098 74 HE ARG 12 HE ARG 12 -4.430 -11.781 -4.917 75 HH11 ARG 12 1HH1 ARG 12 -6.765 -10.437 -2.597 76 HH12 ARG 12 2HH1 ARG 12 -6.985 -9.004 -3.553 77 HH21 ARG 12 1HH2 ARG 12 -4.761 -9.978 -6.050 78 HH22 ARG 12 2HH2 ARG 12 -5.868 -8.741 -5.503 79 H ASP 13 H ASP 13 -4.952 -16.297 0.484 80 HA ASP 13 HA ASP 13 -7.796 -15.864 0.597 81 HB3 ASP 13 1HB ASP 13 -6.113 -17.965 2.003 82 H GLU 14 H GLU 14 -5.221 -15.401 2.984 83 HA GLU 14 HA GLU 14 -7.000 -15.124 5.285 84 HB3 GLU 14 1HB GLU 14 -4.892 -14.194 6.338 85 HG3 GLU 14 1HG GLU 14 -3.690 -16.353 6.358 86 H LEU 15 H LEU 15 -5.348 -12.997 2.938 87 HA LEU 15 HA LEU 15 -6.199 -10.472 4.024 88 HB3 LEU 15 1HB LEU 15 -5.153 -11.485 1.360 89 HG LEU 15 HG LEU 15 -5.963 -8.641 2.054 90 HD11 LEU 15 1HD1 LEU 15 -3.503 -8.642 1.749 91 HD12 LEU 15 2HD1 LEU 15 -4.327 -7.815 0.437 92 HD13 LEU 15 3HD1 LEU 15 -3.710 -9.465 0.182 93 HD21 LEU 15 3HD2 LEU 15 -7.452 -9.651 0.426 94 HD22 LEU 15 1HD2 LEU 15 -6.102 -10.427 -0.430 95 HD23 LEU 15 2HD2 LEU 15 -6.338 -8.677 -0.522 96 H ASP 16 H ASP 16 -7.695 -12.668 1.637 97 HA ASP 16 HA ASP 16 -9.732 -10.961 0.702 98 HB3 ASP 16 1HB ASP 16 -9.736 -13.995 1.070 99 H ARG 17 H ARG 17 -9.484 -12.545 3.742 100 HA ARG 17 HA ARG 17 -12.315 -12.446 4.480 101 HB3 ARG 17 1HB ARG 17 -11.375 -13.276 6.687 102 HG3 ARG 17 1HG ARG 17 -10.642 -14.732 4.107 103 HD3 ARG 17 1HD ARG 17 -9.158 -15.546 5.908 104 HE ARG 17 HE ARG 17 -10.140 -15.475 8.006 105 HH11 ARG 17 1HH1 ARG 17 -12.313 -17.343 5.921 106 HH12 ARG 17 2HH1 ARG 17 -13.259 -17.903 7.267 107 HH21 ARG 17 1HH2 ARG 17 -11.408 -16.228 9.684 108 HH22 ARG 17 2HH2 ARG 17 -12.772 -17.254 9.353 109 H LEU 18 H LEU 18 -9.785 -10.112 4.489 110 HA LEU 18 HA LEU 18 -10.586 -8.699 6.885 111 HB3 LEU 18 1HB LEU 18 -8.387 -8.489 5.753 112 HG LEU 18 HG LEU 18 -9.251 -7.702 3.417 113 HD11 LEU 18 1HD1 LEU 18 -9.515 -5.108 4.975 114 HD12 LEU 18 2HD1 LEU 18 -10.744 -5.882 3.932 115 HD13 LEU 18 3HD1 LEU 18 -9.294 -5.189 3.225 116 HD21 LEU 18 3HD2 LEU 18 -7.089 -6.142 4.909 117 HD22 LEU 18 1HD2 LEU 18 -7.226 -6.311 3.142 118 HD23 LEU 18 2HD2 LEU 18 -6.871 -7.730 4.134 119 H ALA 19 H ALA 19 -11.468 -6.403 6.850 120 HA ALA 19 HA ALA 19 -13.700 -6.085 4.873 121 HB1 ALA 19 3HB ALA 19 -15.288 -5.737 6.695 122 HB2 ALA 19 1HB ALA 19 -14.541 -7.341 6.821 123 HB3 ALA 19 2HB ALA 19 -14.019 -6.037 7.902 124 H GLY 20 H GLY 20 -11.633 -4.418 7.264 125 HA2 GLY 20 1HA GLY 20 -13.050 -1.922 6.982 126 HA3 GLY 20 2HA GLY 20 -11.531 -2.183 7.861 127 HA PRO 21 HA PRO 21 -10.852 0.291 3.839 128 HB3 PRO 21 1HB PRO 21 -11.904 2.223 4.508 129 HG3 PRO 21 1HG PRO 21 -12.208 2.744 6.809 130 HD3 PRO 21 1HD PRO 21 -13.055 0.557 6.583 131 H THR 22 H THR 22 -9.038 -0.618 3.286 132 HA THR 22 HA THR 22 -6.594 -0.494 5.036 133 HB THR 22 HB THR 22 -7.665 -2.701 3.229 134 HG1 THR 22 HG1 THR 22 -8.728 -2.552 5.154 135 HG21 THR 22 3HG2 THR 22 -5.140 -2.665 4.960 136 HG22 THR 22 1HG2 THR 22 -5.211 -2.843 3.197 137 HG23 THR 22 2HG2 THR 22 -5.862 -4.111 4.230 138 H LEU 23 H LEU 23 -4.579 -0.366 4.026 139 HA LEU 23 HA LEU 23 -4.523 -0.094 1.066 140 HB3 LEU 23 1HB LEU 23 -2.939 1.621 3.025 141 HG LEU 23 HG LEU 23 -1.573 1.166 1.016 142 HD11 LEU 23 1HD1 LEU 23 -2.900 0.522 -0.713 143 HD12 LEU 23 2HD1 LEU 23 -2.672 2.201 -1.192 144 HD13 LEU 23 3HD1 LEU 23 -4.165 1.723 -0.369 145 HD21 LEU 23 3HD2 LEU 23 -1.271 3.460 0.251 146 HD22 LEU 23 1HD2 LEU 23 -1.480 3.372 2.005 147 HD23 LEU 23 2HD2 LEU 23 -2.828 3.912 0.981 148 H VAL 24 H VAL 24 -3.329 -1.708 0.283 149 HA VAL 24 HA VAL 24 -1.270 -2.984 2.022 150 HB VAL 24 HB VAL 24 -2.570 -4.098 -0.503 151 HG11 VAL 24 1HG1 VAL 24 -1.555 -6.238 0.207 152 HG12 VAL 24 2HG1 VAL 24 -0.310 -5.012 -0.053 153 HG13 VAL 24 3HG1 VAL 24 -0.796 -5.429 1.601 154 HG21 VAL 24 3HG2 VAL 24 -3.160 -4.697 2.421 155 HG22 VAL 24 1HG2 VAL 24 -4.268 -3.973 1.231 156 HG23 VAL 24 2HG2 VAL 24 -3.768 -5.652 1.039 157 H GLU 25 H GLU 25 0.703 -2.350 1.724 158 HA GLU 25 HA GLU 25 1.548 -1.181 -0.884 159 HB3 GLU 25 1HB GLU 25 2.546 -0.793 1.957 160 HG3 GLU 25 1HG GLU 25 3.340 0.782 -0.516 161 H PHE 26 H PHE 26 3.081 -2.138 -2.067 162 HA PHE 26 HA PHE 26 4.686 -4.371 -0.923 163 HB3 PHE 26 1HB PHE 26 4.893 -5.233 -3.106 164 HD1 PHE 26 HD2 PHE 26 2.905 -6.245 -1.510 165 HD2 PHE 26 HD1 PHE 26 2.350 -3.545 -4.815 166 HE1 PHE 26 HE2 PHE 26 0.495 -6.866 -1.619 167 HE2 PHE 26 HE1 PHE 26 -0.017 -4.212 -4.962 168 HZ PHE 26 HZ PHE 26 -0.975 -5.806 -3.309 169 H GLY 27 H GLY 27 6.847 -4.169 -0.726 170 HA2 GLY 27 1HA GLY 27 8.608 -2.689 -2.360 171 HA3 GLY 27 2HA GLY 27 8.116 -1.606 -1.092 172 H THR 28 H THR 28 10.445 -1.619 -0.638 173 HA THR 28 HA THR 28 11.001 -3.419 1.624 174 HB THR 28 HB THR 28 13.335 -3.749 1.002 175 HG1 THR 28 HG1 THR 28 13.875 -3.243 -1.230 176 HG21 THR 28 3HG2 THR 28 13.113 -5.383 -0.778 177 HG22 THR 28 1HG2 THR 28 11.563 -4.703 -1.265 178 HG23 THR 28 2HG2 THR 28 11.720 -5.493 0.311 179 H ASP 29 H ASP 29 13.104 -2.460 2.763 180 HA ASP 29 HA ASP 29 12.531 0.426 3.127 181 HB3 ASP 29 1HB ASP 29 14.463 -1.330 4.678 182 H TRP 30 H TRP 30 14.399 -1.273 1.001 183 HA TRP 30 HA TRP 30 16.741 0.591 1.092 184 HB3 TRP 30 1HB TRP 30 17.363 -1.461 2.073 185 HD1 TRP 30 HD TRP 30 16.006 -3.535 2.668 186 HE1 TRP 30 HE1 TRP 30 15.317 -5.698 1.461 187 HE3 TRP 30 HE3 TRP 30 17.417 -2.285 -2.093 188 HZ2 TRP 30 HZ2 TRP 30 15.210 -6.672 -1.268 189 HZ3 TRP 30 HZ3 TRP 30 17.033 -3.845 -3.952 190 HH2 TRP 30 HH TRP 30 15.915 -6.036 -3.577 191 H CYS 31 H CYS 31 14.347 -0.778 -1.119 192 HA CYS 31 HA CYS 31 15.901 -0.349 -3.519 193 HB2 CYS 31 1HB CYS 31 13.934 -1.809 -3.484 194 HB3 CYS 31 2HB CYS 31 12.886 -0.440 -3.097 195 H GLY 32 H GLY 32 15.986 1.369 -4.898 196 HA2 GLY 32 1HA GLY 32 15.840 4.060 -3.881 197 HA3 GLY 32 2HA GLY 32 16.151 3.595 -5.551 198 H HIS 33 H HIS 33 13.506 2.104 -5.716 199 HA HIS 33 HA HIS 33 11.657 4.256 -6.353 200 HB2 HIS 33 1HB HIS 33 11.102 1.335 -5.642 201 HB3 HIS 33 2HB HIS 33 10.024 2.448 -6.460 202 HD1 HIS 33 HD1 HIS 33 12.489 -0.176 -7.187 203 HD2 HIS 33 HD2 HIS 33 10.806 3.174 -9.064 204 HE1 HIS 33 HE1 HIS 33 12.583 -0.636 -9.708 205 H CYS 34 H CYS 34 11.974 2.011 -3.596 206 HA CYS 34 HA CYS 34 9.776 3.041 -2.064 207 HB3 CYS 34 1HB CYS 34 11.294 1.911 -0.186 208 HG CYS 34 HG CYS 34 8.880 1.150 -1.060 209 H GLN 35 H GLN 35 13.204 4.012 -2.152 210 HA GLN 35 HA GLN 35 13.070 5.610 0.204 211 HB3 GLN 35 1HB GLN 35 15.035 6.820 -0.647 212 HG3 GLN 35 1HG GLN 35 16.610 5.114 -1.027 213 HE21 GLN 35 2HE2 GLN 35 14.573 2.469 -0.456 214 HE22 GLN 35 1HE2 GLN 35 14.788 2.441 1.300 215 H ALA 36 H ALA 36 11.817 6.181 -2.938 216 HA ALA 36 HA ALA 36 11.263 9.063 -2.515 217 HB1 ALA 36 3HB ALA 36 12.053 8.245 -4.722 218 HB2 ALA 36 1HB ALA 36 10.659 7.171 -4.840 219 HB3 ALA 36 2HB ALA 36 10.418 8.929 -4.826 220 H ALA 37 H ALA 37 9.465 5.958 -2.681 221 HA ALA 37 HA ALA 37 6.885 7.327 -2.446 222 HB1 ALA 37 3HB ALA 37 7.604 4.379 -2.486 223 HB2 ALA 37 1HB ALA 37 5.966 5.085 -2.613 224 HB3 ALA 37 2HB ALA 37 7.165 5.384 -3.890 225 H GLN 38 H GLN 38 9.073 5.671 -0.203 226 HA GLN 38 HA GLN 38 7.236 5.166 1.915 227 HB3 GLN 38 1HB GLN 38 9.378 5.423 3.346 228 HG3 GLN 38 1HG GLN 38 9.333 3.360 1.088 229 HE21 GLN 38 2HE2 GLN 38 9.790 2.494 4.457 230 HE22 GLN 38 1HE2 GLN 38 11.522 2.198 4.354 231 HA PRO 39 HA PRO 39 8.083 9.465 3.779 232 HB3 PRO 39 1HB PRO 39 10.199 10.285 3.318 233 HG3 PRO 39 1HG PRO 39 11.185 9.989 1.148 234 HD3 PRO 39 1HD PRO 39 10.617 7.852 1.972 235 H LEU 40 H LEU 40 7.070 8.877 0.510 236 HA LEU 40 HA LEU 40 5.356 11.217 0.197 237 HB3 LEU 40 1HB LEU 40 4.599 8.707 -1.221 238 HG LEU 40 HG LEU 40 4.617 9.884 -3.164 239 HD11 LEU 40 1HD1 LEU 40 3.177 11.653 -2.867 240 HD12 LEU 40 2HD1 LEU 40 3.967 12.232 -1.376 241 HD13 LEU 40 3HD1 LEU 40 2.959 10.781 -1.350 242 HD21 LEU 40 3HD2 LEU 40 6.403 12.005 -1.918 243 HD22 LEU 40 1HD2 LEU 40 5.725 12.065 -3.566 244 HD23 LEU 40 2HD2 LEU 40 6.861 10.775 -3.122 245 H LEU 41 H LEU 41 4.781 7.760 0.959 246 HA LEU 41 HA LEU 41 2.029 8.005 1.709 247 HB3 LEU 41 1HB LEU 41 2.684 5.949 3.230 248 HG LEU 41 HG LEU 41 2.369 4.374 1.538 249 HD11 LEU 41 1HD1 LEU 41 0.834 6.780 0.522 250 HD12 LEU 41 2HD1 LEU 41 0.411 5.830 1.957 251 HD13 LEU 41 3HD1 LEU 41 0.422 5.073 0.352 252 HD21 LEU 41 3HD2 LEU 41 2.598 4.877 -0.876 253 HD22 LEU 41 1HD2 LEU 41 4.123 4.948 0.022 254 HD23 LEU 41 2HD2 LEU 41 3.333 6.444 -0.448 255 H ALA 42 H ALA 42 5.022 8.214 3.664 256 HA ALA 42 HA ALA 42 3.801 8.694 6.169 257 HB1 ALA 42 3HB ALA 42 6.401 9.910 5.136 258 HB2 ALA 42 1HB ALA 42 5.954 9.609 6.830 259 HB3 ALA 42 2HB ALA 42 6.226 8.242 5.729 260 H GLU 43 H GLU 43 4.316 11.074 3.557 261 HA GLU 43 HA GLU 43 3.469 13.354 5.183 262 HB3 GLU 43 1HB GLU 43 3.243 14.435 2.860 263 HG3 GLU 43 1HG GLU 43 5.783 14.322 2.484 264 H VAL 44 H VAL 44 1.805 11.372 2.615 265 HA VAL 44 HA VAL 44 -0.675 12.780 2.904 266 HB VAL 44 HB VAL 44 -0.383 11.644 0.904 267 HG11 VAL 44 1HG1 VAL 44 -0.226 9.291 0.556 268 HG12 VAL 44 2HG1 VAL 44 1.112 9.891 1.476 269 HG13 VAL 44 3HG1 VAL 44 -0.181 8.979 2.310 270 HG21 VAL 44 3HG2 VAL 44 -2.420 9.951 2.401 271 HG22 VAL 44 1HG2 VAL 44 -2.727 11.601 1.849 272 HG23 VAL 44 2HG2 VAL 44 -2.391 10.324 0.664 273 H PHE 45 H PHE 45 0.413 9.724 4.416 274 HA PHE 45 HA PHE 45 -2.027 9.041 5.644 275 HB3 PHE 45 1HB PHE 45 0.220 8.125 7.249 276 HD1 PHE 45 HD2 PHE 45 -2.251 7.278 7.862 277 HD2 PHE 45 HD1 PHE 45 0.033 6.013 4.422 278 HE1 PHE 45 HE2 PHE 45 -3.578 5.234 7.743 279 HE2 PHE 45 HE1 PHE 45 -1.308 3.936 4.308 280 HZ PHE 45 HZ PHE 45 -3.123 3.529 5.964 281 H SER 46 H SER 46 0.266 11.448 6.695 282 HA SER 46 HA SER 46 -0.385 11.608 9.457 283 HB3 SER 46 1HB SER 46 0.203 13.962 7.630 284 HG SER 46 HG SER 46 -0.171 14.434 9.864 285 H ASP 47 H ASP 47 -2.380 12.461 6.696 286 HA ASP 47 HA ASP 47 -4.340 13.882 8.444 287 HB3 ASP 47 1HB ASP 47 -4.440 13.593 5.432 288 H TYR 48 H TYR 48 -3.819 10.743 7.219 289 HA TYR 48 HA TYR 48 -6.707 10.029 7.568 290 HB3 TYR 48 1HB TYR 48 -6.643 8.546 5.698 291 HD1 TYR 48 HD1 TYR 48 -8.235 10.467 5.194 292 HD2 TYR 48 HD2 TYR 48 -4.055 10.556 4.173 293 HE1 TYR 48 HE1 TYR 48 -8.655 12.378 3.666 294 HE2 TYR 48 HE2 TYR 48 -4.461 12.542 2.716 295 HH TYR 48 HH TYR 48 -7.687 14.002 2.332 296 HA PRO 49 HA PRO 49 -3.557 7.219 9.876 297 HB3 PRO 49 1HB PRO 49 -2.953 8.641 11.550 298 HG3 PRO 49 1HG PRO 49 -4.398 10.431 12.235 299 HD3 PRO 49 1HD PRO 49 -4.097 10.610 9.902 300 H GLU 50 H GLU 50 -7.046 7.741 10.071 301 HA GLU 50 HA GLU 50 -7.740 5.305 11.369 302 HB3 GLU 50 1HB GLU 50 -9.236 7.210 11.166 303 HG3 GLU 50 1HG GLU 50 -9.566 6.454 8.226 304 H VAL 51 H VAL 51 -6.449 5.765 8.178 305 HA VAL 51 HA VAL 51 -7.656 3.321 7.030 306 HB VAL 51 HB VAL 51 -5.352 5.036 6.038 307 HG11 VAL 51 1HG1 VAL 51 -6.874 2.807 4.627 308 HG12 VAL 51 2HG1 VAL 51 -5.701 3.900 3.855 309 HG13 VAL 51 3HG1 VAL 51 -5.155 2.766 5.097 310 HG21 VAL 51 3HG2 VAL 51 -8.249 4.919 5.108 311 HG22 VAL 51 1HG2 VAL 51 -7.508 6.247 6.032 312 HG23 VAL 51 2HG2 VAL 51 -6.947 5.911 4.396 313 H GLY 52 H GLY 52 -6.696 1.265 6.960 314 HA2 GLY 52 1HA GLY 52 -4.464 0.772 8.871 315 HA3 GLY 52 2HA GLY 52 -5.484 -0.439 8.083 316 H HIS 53 H HIS 53 -2.386 0.996 8.026 317 HA HIS 53 HA HIS 53 -1.903 0.290 5.193 318 HB2 HIS 53 1HB HIS 53 -0.947 2.365 6.507 319 HB3 HIS 53 2HB HIS 53 0.227 1.234 7.124 320 HD1 HIS 53 HD1 HIS 53 2.179 2.564 5.761 321 HD2 HIS 53 HD2 HIS 53 -0.906 0.946 3.410 322 HE1 HIS 53 HE1 HIS 53 2.918 2.753 3.292 323 H LEU 54 H LEU 54 -1.036 -1.589 4.521 324 HA LEU 54 HA LEU 54 0.354 -3.381 6.478 325 HB3 LEU 54 1HB LEU 54 -1.325 -3.994 4.025 326 HG LEU 54 HG LEU 54 0.440 -5.687 4.149 327 HD11 LEU 54 1HD1 LEU 54 1.113 -5.552 6.511 328 HD12 LEU 54 2HD1 LEU 54 0.613 -7.195 6.118 329 HD13 LEU 54 3HD1 LEU 54 -0.488 -6.130 7.027 330 HD21 LEU 54 3HD2 LEU 54 -1.874 -6.309 3.512 331 HD22 LEU 54 1HD2 LEU 54 -2.209 -6.713 5.209 332 HD23 LEU 54 2HD2 LEU 54 -1.000 -7.640 4.287 333 H LYS 55 H LYS 55 2.446 -2.958 6.254 334 HA LYS 55 HA LYS 55 3.738 -2.361 3.673 335 HB3 LYS 55 1HB LYS 55 5.779 -2.524 5.198 336 HG3 LYS 55 1HG LYS 55 3.691 -0.396 5.451 337 HD3 LYS 55 1HD LYS 55 5.348 1.036 6.486 338 HE3 LYS 55 1HE LYS 55 5.007 -1.424 8.259 339 HZ1 LYS 55 3HZ LYS 55 5.057 0.145 10.031 340 HZ2 LYS 55 1HZ LYS 55 4.994 1.443 9.014 341 HZ3 LYS 55 2HZ LYS 55 6.331 0.509 9.087 342 H VAL 56 H VAL 56 3.596 -4.226 2.354 343 HA VAL 56 HA VAL 56 4.593 -6.826 3.426 344 HB VAL 56 HB VAL 56 3.457 -6.185 0.673 345 HG11 VAL 56 1HG1 VAL 56 4.893 -8.161 0.578 346 HG12 VAL 56 2HG1 VAL 56 4.156 -8.827 2.044 347 HG13 VAL 56 3HG1 VAL 56 3.219 -8.694 0.548 348 HG21 VAL 56 3HG2 VAL 56 1.696 -5.871 2.251 349 HG22 VAL 56 1HG2 VAL 56 1.459 -7.484 1.584 350 HG23 VAL 56 2HG2 VAL 56 2.165 -7.299 3.197 351 H GLU 57 H GLU 57 6.560 -7.301 3.435 352 HA GLU 57 HA GLU 57 8.492 -5.880 1.822 353 HB3 GLU 57 1HB GLU 57 9.133 -8.365 3.413 354 HG3 GLU 57 1HG GLU 57 10.475 -5.701 2.850 355 H ASP 58 H ASP 58 9.000 -6.307 -0.201 356 HA ASP 58 HA ASP 58 8.401 -8.970 -1.414 357 HB3 ASP 58 1HB ASP 58 9.023 -6.374 -2.846 358 H GLY 59 H GLY 59 10.002 -9.511 -3.329 359 HA2 GLY 59 1HA GLY 59 12.827 -8.921 -2.883 360 HA3 GLY 59 2HA GLY 59 12.357 -10.485 -2.258 361 HA PRO 60 HA PRO 60 13.777 -10.817 -6.738 362 HB3 PRO 60 1HB PRO 60 15.583 -12.318 -6.760 363 HG3 PRO 60 1HG PRO 60 16.160 -10.624 -5.177 364 HD3 PRO 60 1HD PRO 60 14.776 -10.169 -3.328 365 H GLY 61 H GLY 61 12.437 -13.404 -4.627 366 HA2 GLY 61 1HA GLY 61 10.546 -14.240 -6.787 367 HA3 GLY 61 2HA GLY 61 10.775 -15.048 -5.214 368 H ARG 62 H ARG 62 8.774 -12.960 -6.908 369 HA ARG 62 HA ARG 62 8.320 -11.008 -4.848 370 HB3 ARG 62 1HB ARG 62 6.587 -10.103 -6.304 371 HG3 ARG 62 1HG ARG 62 8.821 -10.862 -8.183 372 HD3 ARG 62 1HD ARG 62 7.695 -8.167 -7.300 373 HE ARG 62 HE ARG 62 9.015 -8.293 -9.854 374 HH11 ARG 62 1HH1 ARG 62 9.827 -7.979 -6.394 375 HH12 ARG 62 2HH1 ARG 62 11.365 -7.252 -6.770 376 HH21 ARG 62 1HH2 ARG 62 10.983 -7.308 -10.208 377 HH22 ARG 62 2HH2 ARG 62 11.992 -6.859 -8.871 378 H ARG 63 H ARG 63 6.769 -10.704 -3.415 379 HA ARG 63 HA ARG 63 5.584 -13.157 -2.397 380 HB3 ARG 63 1HB ARG 63 5.719 -10.358 -1.192 381 HG3 ARG 63 1HG ARG 63 4.011 -11.579 0.036 382 HD3 ARG 63 1HD ARG 63 4.454 -13.909 -0.558 383 HE ARG 63 HE ARG 63 7.109 -13.427 0.555 384 HH11 ARG 63 1HH1 ARG 63 4.761 -16.036 0.037 385 HH12 ARG 63 2HH1 ARG 63 6.009 -17.245 -0.066 386 HH21 ARG 63 1HH2 ARG 63 8.642 -15.033 0.434 387 HH22 ARG 63 2HH2 ARG 63 8.177 -16.686 0.178 388 H LEU 64 H LEU 64 3.926 -9.998 -2.196 389 HA LEU 64 HA LEU 64 1.372 -11.428 -2.830 390 HB3 LEU 64 1HB LEU 64 1.827 -8.860 -1.292 391 HG LEU 64 HG LEU 64 -0.514 -9.225 -1.974 392 HD11 LEU 64 1HD1 LEU 64 -1.831 -11.115 -0.994 393 HD12 LEU 64 2HD1 LEU 64 -0.305 -11.875 -0.473 394 HD13 LEU 64 3HD1 LEU 64 -0.684 -11.661 -2.197 395 HD21 LEU 64 3HD2 LEU 64 0.082 -9.731 0.983 396 HD22 LEU 64 1HD2 LEU 64 -1.479 -9.169 0.341 397 HD23 LEU 64 2HD2 LEU 64 -0.053 -8.151 0.165 398 H GLY 65 H GLY 65 3.164 -8.476 -3.832 399 HA2 GLY 65 1HA GLY 65 1.113 -7.363 -5.455 400 HA3 GLY 65 2HA GLY 65 2.859 -7.114 -5.683 401 H ARG 66 H ARG 66 3.185 -10.079 -6.059 402 HA ARG 66 HA ARG 66 2.809 -10.650 -8.801 403 HB3 ARG 66 1HB ARG 66 2.918 -12.371 -6.303 404 HG3 ARG 66 1HG ARG 66 3.352 -13.228 -9.192 405 HD3 ARG 66 1HD ARG 66 5.061 -14.226 -7.761 406 HE ARG 66 HE ARG 66 4.460 -14.339 -5.561 407 HH11 ARG 66 1HH1 ARG 66 2.116 -16.316 -7.344 408 HH12 ARG 66 2HH1 ARG 66 1.282 -16.792 -5.897 409 HH21 ARG 66 1HH2 ARG 66 3.154 -14.758 -3.809 410 HH22 ARG 66 2HH2 ARG 66 1.952 -16.013 -3.882 411 H SER 67 H SER 67 0.657 -11.426 -6.008 412 HA SER 67 HA SER 67 -1.441 -12.560 -7.735 413 HB3 SER 67 1HB SER 67 -2.480 -13.181 -5.649 414 HG SER 67 HG SER 67 -0.725 -14.350 -4.676 415 H PHE 68 H PHE 68 -0.698 -9.419 -6.682 416 HA PHE 68 HA PHE 68 -3.463 -8.468 -7.273 417 HB3 PHE 68 1HB PHE 68 -2.267 -6.189 -6.875 418 HD1 PHE 68 HD2 PHE 68 -1.338 -8.445 -4.120 419 HD2 PHE 68 HD1 PHE 68 -4.389 -5.940 -5.805 420 HE1 PHE 68 HE2 PHE 68 -2.550 -8.528 -1.964 421 HE2 PHE 68 HE1 PHE 68 -5.624 -5.982 -3.654 422 HZ PHE 68 HZ PHE 68 -4.723 -7.285 -1.728 423 H GLN 69 H GLN 69 -0.810 -9.508 -9.014 424 HA GLN 69 HA GLN 69 0.010 -9.175 -11.098 425 HB3 GLN 69 1HB GLN 69 -1.682 -8.715 -12.835 426 HG3 GLN 69 1HG GLN 69 -1.391 -10.983 -11.794 427 HE21 GLN 69 2HE2 GLN 69 -4.249 -9.289 -10.288 428 HE22 GLN 69 1HE2 GLN 69 -4.387 -10.543 -9.040 429 H VAL 70 H VAL 70 0.823 -7.271 -9.434 430 HA VAL 70 HA VAL 70 0.359 -4.549 -10.171 431 HB VAL 70 HB VAL 70 2.614 -5.976 -8.728 432 HG11 VAL 70 1HG1 VAL 70 3.352 -3.713 -7.907 433 HG12 VAL 70 2HG1 VAL 70 3.698 -4.001 -9.612 434 HG13 VAL 70 3HG1 VAL 70 2.318 -2.977 -9.158 435 HG21 VAL 70 3HG2 VAL 70 0.367 -5.835 -7.615 436 HG22 VAL 70 1HG2 VAL 70 1.620 -4.949 -6.755 437 HG23 VAL 70 2HG2 VAL 70 0.432 -4.066 -7.748 438 H LYS 71 H LYS 71 1.240 -3.183 -11.614 439 HA LYS 71 HA LYS 71 2.880 -4.242 -13.826 440 HB3 LYS 71 1HB LYS 71 2.536 -1.667 -14.500 441 HG3 LYS 71 1HG LYS 71 1.700 -3.480 -15.839 442 HD3 LYS 71 1HD LYS 71 0.455 -4.851 -14.155 443 HE3 LYS 71 1HE LYS 71 -1.620 -2.628 -14.429 444 HZ1 LYS 71 3HZ LYS 71 -1.719 -5.185 -12.935 445 HZ2 LYS 71 1HZ LYS 71 -2.577 -4.868 -14.288 446 HZ3 LYS 71 2HZ LYS 71 -2.899 -4.035 -12.916 447 H LEU 72 H LEU 72 3.378 -0.986 -12.383 448 HA LEU 72 HA LEU 72 6.276 -1.531 -12.320 449 HB3 LEU 72 1HB LEU 72 4.993 0.994 -11.290 450 HG LEU 72 HG LEU 72 7.578 0.478 -11.237 451 HD11 LEU 72 1HD1 LEU 72 7.232 1.126 -14.193 452 HD12 LEU 72 2HD1 LEU 72 7.759 -0.433 -13.532 453 HD13 LEU 72 3HD1 LEU 72 8.773 0.996 -13.319 454 HD21 LEU 72 3HD2 LEU 72 8.114 2.827 -11.850 455 HD22 LEU 72 1HD2 LEU 72 6.679 2.709 -10.824 456 HD23 LEU 72 2HD2 LEU 72 6.491 2.985 -12.578 457 H TRP 73 H TRP 73 7.499 -1.761 -10.497 458 HA TRP 73 HA TRP 73 6.341 -3.289 -8.478 459 HB3 TRP 73 1HB TRP 73 8.968 -1.823 -8.438 460 HD1 TRP 73 HD TRP 73 8.014 -5.491 -7.704 461 HE1 TRP 73 HE1 TRP 73 8.978 -6.139 -5.431 462 HE3 TRP 73 HE3 TRP 73 9.729 -0.899 -6.263 463 HZ2 TRP 73 HZ2 TRP 73 10.614 -4.863 -3.371 464 HZ3 TRP 73 HZ3 TRP 73 10.953 -0.638 -4.127 465 HH2 TRP 73 HH TRP 73 11.466 -2.619 -2.718 466 HA PRO 74 HA PRO 74 6.449 0.201 -5.264 467 HB3 PRO 74 1HB PRO 74 8.025 1.813 -5.680 468 HG3 PRO 74 1HG PRO 74 8.369 2.677 -7.939 469 HD3 PRO 74 1HD PRO 74 8.707 0.329 -7.917 470 H THR 75 H THR 75 4.365 -0.629 -5.263 471 HA THR 75 HA THR 75 2.151 1.131 -6.185 472 HB THR 75 HB THR 75 2.510 -1.827 -6.808 473 HG1 THR 75 HG1 THR 75 3.213 -0.738 -8.511 474 HG21 THR 75 3HG2 THR 75 0.000 -0.113 -7.091 475 HG22 THR 75 1HG2 THR 75 0.161 -1.618 -6.144 476 HG23 THR 75 2HG2 THR 75 0.261 -1.660 -7.905 477 H PHE 76 H PHE 76 0.423 1.123 -4.947 478 HA PHE 76 HA PHE 76 0.185 -0.811 -2.745 479 HB3 PHE 76 1HB PHE 76 1.014 0.826 -1.350 480 HD1 PHE 76 HD1 PHE 76 2.779 1.888 -2.792 481 HD2 PHE 76 HD2 PHE 76 -1.206 3.453 -2.283 482 HE1 PHE 76 HE1 PHE 76 3.527 4.081 -3.704 483 HE2 PHE 76 HE2 PHE 76 -0.436 5.638 -3.101 484 HZ PHE 76 HZ PHE 76 1.897 5.939 -3.881 485 H VAL 77 H VAL 77 -1.743 -1.533 -2.484 486 HA VAL 77 HA VAL 77 -3.916 -0.618 -4.319 487 HB VAL 77 HB VAL 77 -3.615 -3.356 -3.059 488 HG11 VAL 77 1HG1 VAL 77 -5.273 -4.027 -4.723 489 HG12 VAL 77 2HG1 VAL 77 -5.931 -2.643 -3.841 490 HG13 VAL 77 3HG1 VAL 77 -5.269 -2.431 -5.455 491 HG21 VAL 77 3HG2 VAL 77 -2.821 -4.078 -5.314 492 HG22 VAL 77 1HG2 VAL 77 -2.804 -2.388 -5.848 493 HG23 VAL 77 2HG2 VAL 77 -1.707 -2.927 -4.573 494 H PHE 78 H PHE 78 -5.666 0.271 -3.514 495 HA PHE 78 HA PHE 78 -6.065 0.402 -0.573 496 HB3 PHE 78 1HB PHE 78 -7.839 2.037 -1.150 497 HD1 PHE 78 HD2 PHE 78 -5.073 2.412 -3.654 498 HD2 PHE 78 HD1 PHE 78 -6.632 3.691 0.168 499 HE1 PHE 78 HE2 PHE 78 -3.264 4.100 -3.464 500 HE2 PHE 78 HE1 PHE 78 -4.865 5.448 0.262 501 HZ PHE 78 HZ PHE 78 -3.219 5.654 -1.583 502 H LEU 79 H LEU 79 -7.410 -0.893 0.451 503 HA LEU 79 HA LEU 79 -9.295 -2.628 -1.092 504 HB3 LEU 79 1HB LEU 79 -8.914 -4.108 1.079 505 HG LEU 79 HG LEU 79 -8.416 -4.795 -1.258 506 HD11 LEU 79 1HD1 LEU 79 -5.997 -4.704 -1.949 507 HD12 LEU 79 2HD1 LEU 79 -5.697 -3.600 -0.606 508 HD13 LEU 79 3HD1 LEU 79 -6.807 -3.145 -1.924 509 HD21 LEU 79 3HD2 LEU 79 -6.406 -5.659 0.856 510 HD22 LEU 79 1HD2 LEU 79 -6.840 -6.545 -0.633 511 HD23 LEU 79 2HD2 LEU 79 -8.053 -6.306 0.632 512 H ARG 80 H ARG 80 -11.160 -3.236 -0.101 513 HA ARG 80 HA ARG 80 -12.041 -2.407 2.518 514 HB3 ARG 80 1HB ARG 80 -13.676 -1.214 0.260 515 HG3 ARG 80 1HG ARG 80 -13.285 -0.432 3.189 516 HD3 ARG 80 1HD ARG 80 -13.754 1.451 1.571 517 HE ARG 80 HE ARG 80 -15.978 -0.278 0.806 518 HH11 ARG 80 1HH1 ARG 80 -15.071 3.132 1.036 519 HH12 ARG 80 2HH1 ARG 80 -16.214 3.616 -0.181 520 HH21 ARG 80 1HH2 ARG 80 -17.433 0.404 -0.726 521 HH22 ARG 80 2HH2 ARG 80 -17.572 2.089 -1.138 522 H ASP 81 H ASP 81 -13.709 -3.708 3.177 523 HA ASP 81 HA ASP 81 -15.075 -5.530 3.245 524 HB3 ASP 81 1HB ASP 81 -15.759 -5.037 0.328 525 H GLY 82 H GLY 82 -12.235 -5.822 2.327 526 HA2 GLY 82 1HA GLY 82 -10.874 -7.699 2.001 527 HA3 GLY 82 2HA GLY 82 -12.293 -8.661 1.545 528 H ARG 83 H ARG 83 -12.511 -5.965 -0.361 529 HA ARG 83 HA ARG 83 -11.060 -7.245 -2.640 530 HB3 ARG 83 1HB ARG 83 -12.859 -6.083 -4.000 531 HG3 ARG 83 1HG ARG 83 -12.877 -8.590 -3.401 532 HD3 ARG 83 1HD ARG 83 -15.139 -7.508 -1.674 533 HE ARG 83 HE ARG 83 -15.139 -9.927 -3.088 534 HH11 ARG 83 1HH1 ARG 83 -15.347 -9.041 0.339 535 HH12 ARG 83 2HH1 ARG 83 -16.257 -10.461 0.741 536 HH21 ARG 83 1HH2 ARG 83 -16.333 -11.741 -2.496 537 HH22 ARG 83 2HH2 ARG 83 -16.816 -11.963 -0.843 538 H GLU 84 H GLU 84 -10.293 -5.835 -4.211 539 HA GLU 84 HA GLU 84 -9.064 -3.350 -3.323 540 HB3 GLU 84 1HB GLU 84 -9.296 -4.748 -6.010 541 HG3 GLU 84 1HG GLU 84 -7.822 -2.178 -5.397 542 H VAL 85 H VAL 85 -9.837 -1.373 -3.348 543 HA VAL 85 HA VAL 85 -12.304 -0.690 -4.914 544 HB VAL 85 HB VAL 85 -12.390 1.375 -3.498 545 HG11 VAL 85 1HG1 VAL 85 -13.846 -0.578 -3.113 546 HG12 VAL 85 2HG1 VAL 85 -12.621 -1.268 -2.026 547 HG13 VAL 85 3HG1 VAL 85 -13.445 0.252 -1.606 548 HG21 VAL 85 3HG2 VAL 85 -9.995 1.290 -2.618 549 HG22 VAL 85 1HG2 VAL 85 -11.239 1.509 -1.376 550 HG23 VAL 85 2HG2 VAL 85 -10.497 -0.077 -1.606 551 H ALA 86 H ALA 86 -8.895 -0.070 -4.623 552 HA ALA 86 HA ALA 86 -8.691 1.225 -7.189 553 HB1 ALA 86 3HB ALA 86 -7.843 3.419 -6.315 554 HB2 ALA 86 1HB ALA 86 -9.541 3.174 -5.907 555 HB3 ALA 86 2HB ALA 86 -8.270 2.909 -4.678 556 H ARG 87 H ARG 87 -6.330 2.133 -7.385 557 HA ARG 87 HA ARG 87 -4.496 1.384 -5.308 558 HB3 ARG 87 1HB ARG 87 -4.556 -0.729 -6.500 559 HG3 ARG 87 1HG ARG 87 -3.423 0.814 -8.868 560 HD3 ARG 87 1HD ARG 87 -2.351 -1.360 -8.135 561 HE ARG 87 HE ARG 87 -5.022 -2.386 -8.298 562 HH11 ARG 87 1HH1 ARG 87 -1.777 -3.347 -9.392 563 HH12 ARG 87 2HH1 ARG 87 -2.224 -5.041 -9.415 564 HH21 ARG 87 1HH2 ARG 87 -5.441 -4.582 -8.257 565 HH22 ARG 87 2HH2 ARG 87 -4.206 -5.714 -8.816 566 H VAL 88 H VAL 88 -2.430 2.335 -5.560 567 HA VAL 88 HA VAL 88 -2.217 4.451 -7.721 568 HB VAL 88 HB VAL 88 -1.351 4.491 -4.855 569 HG11 VAL 88 1HG1 VAL 88 0.536 5.469 -6.177 570 HG12 VAL 88 2HG1 VAL 88 -0.619 6.485 -7.073 571 HG13 VAL 88 3HG1 VAL 88 -0.330 6.776 -5.358 572 HG21 VAL 88 3HG2 VAL 88 -3.690 5.246 -5.338 573 HG22 VAL 88 1HG2 VAL 88 -2.664 6.461 -4.549 574 HG23 VAL 88 2HG2 VAL 88 -3.015 6.566 -6.308 575 H VAL 89 H VAL 89 -0.710 4.001 -9.110 576 HA VAL 89 HA VAL 89 1.634 2.263 -8.409 577 HB VAL 89 HB VAL 89 0.406 2.848 -11.136 578 HG11 VAL 89 1HG1 VAL 89 1.931 1.071 -12.010 579 HG12 VAL 89 2HG1 VAL 89 2.805 2.475 -11.388 580 HG13 VAL 89 3HG1 VAL 89 2.708 0.992 -10.419 581 HG21 VAL 89 3HG2 VAL 89 -1.092 1.352 -9.916 582 HG22 VAL 89 1HG2 VAL 89 -0.287 0.496 -11.237 583 HG23 VAL 89 2HG2 VAL 89 0.263 0.261 -9.562 584 H ARG 90 H ARG 90 3.569 3.323 -8.379 585 HA ARG 90 HA ARG 90 5.136 4.948 -8.502 586 HB3 ARG 90 1HB ARG 90 3.933 5.594 -11.209 587 HG3 ARG 90 1HG ARG 90 6.832 5.543 -10.262 588 HD3 ARG 90 1HD ARG 90 5.491 6.735 -12.724 589 HE ARG 90 HE ARG 90 8.064 7.265 -11.622 590 HH11 ARG 90 1HH1 ARG 90 6.648 6.526 -14.775 591 HH12 ARG 90 2HH1 ARG 90 7.906 7.352 -15.641 592 HH21 ARG 90 1HH2 ARG 90 9.663 8.287 -12.788 593 HH22 ARG 90 2HH2 ARG 90 9.610 8.329 -14.531 594 HA PRO 91 HA PRO 91 2.218 8.385 -7.114 595 HB3 PRO 91 1HB PRO 91 2.342 7.754 -4.975 596 HG3 PRO 91 1HG PRO 91 4.245 6.573 -4.094 597 HD3 PRO 91 1HD PRO 91 3.533 5.330 -5.999 598 H GLY 92 H GLY 92 2.559 10.192 -8.332 599 HA2 GLY 92 1HA GLY 92 5.239 11.045 -9.107 600 HA3 GLY 92 2HA GLY 92 3.696 11.773 -9.595 601 H SER 93 H SER 93 2.976 12.072 -6.680 602 HA SER 93 HA SER 93 4.730 13.783 -5.258 603 HB3 SER 93 1HB SER 93 2.581 15.299 -6.795 604 HG SER 93 HG SER 93 3.740 17.098 -5.829 605 H ALA 94 H ALA 94 3.548 14.809 -3.390 606 HA ALA 94 HA ALA 94 1.622 13.134 -2.122 607 HB1 ALA 94 3HB ALA 94 3.151 14.700 -0.952 608 HB2 ALA 94 1HB ALA 94 2.304 16.081 -1.708 609 HB3 ALA 94 2HB ALA 94 1.445 15.034 -0.559 610 H SER 95 H SER 95 1.195 16.014 -4.209 611 HA SER 95 HA SER 95 -1.601 16.288 -3.938 612 HB3 SER 95 1HB SER 95 -1.522 17.474 -6.069 613 HG SER 95 HG SER 95 0.204 18.898 -5.609 614 H VAL 96 H VAL 96 0.110 13.726 -5.624 615 HA VAL 96 HA VAL 96 -2.324 12.816 -7.074 616 HB VAL 96 HB VAL 96 0.474 11.586 -6.933 617 HG11 VAL 96 1HG1 VAL 96 -1.188 9.895 -7.488 618 HG12 VAL 96 2HG1 VAL 96 -1.879 10.942 -8.752 619 HG13 VAL 96 3HG1 VAL 96 -0.237 10.287 -8.917 620 HG21 VAL 96 3HG2 VAL 96 0.626 13.743 -8.070 621 HG22 VAL 96 1HG2 VAL 96 0.757 12.434 -9.250 622 HG23 VAL 96 2HG2 VAL 96 -0.762 13.336 -9.098 623 H LEU 97 H LEU 97 -0.104 11.820 -4.417 624 HA LEU 97 HA LEU 97 -1.530 9.381 -3.846 625 HB3 LEU 97 1HB LEU 97 0.025 10.479 -1.613 626 HG LEU 97 HG LEU 97 0.544 8.192 -3.601 627 HD11 LEU 97 1HD1 LEU 97 2.588 8.810 -2.460 628 HD12 LEU 97 2HD1 LEU 97 1.997 7.262 -1.901 629 HD13 LEU 97 3HD1 LEU 97 1.790 8.689 -0.865 630 HD21 LEU 97 3HD2 LEU 97 -1.460 7.575 -2.575 631 HD22 LEU 97 1HD2 LEU 97 -1.096 8.449 -1.093 632 HD23 LEU 97 2HD2 LEU 97 -0.288 6.917 -1.408 633 H GLU 98 H GLU 98 -1.555 12.541 -2.137 634 HA GLU 98 HA GLU 98 -3.550 11.953 -0.243 635 HB3 GLU 98 1HB GLU 98 -4.013 14.398 -0.267 636 HG3 GLU 98 1HG GLU 98 -1.025 13.775 -0.243 637 H GLU 99 H GLU 99 -3.964 13.157 -3.606 638 HA GLU 99 HA GLU 99 -6.758 13.494 -3.626 639 HB3 GLU 99 1HB GLU 99 -4.764 12.705 -5.783 640 HG3 GLU 99 1HG GLU 99 -7.720 13.277 -6.043 641 H ALA 100 H ALA 100 -4.866 10.484 -4.142 642 HA ALA 100 HA ALA 100 -7.274 8.901 -4.638 643 HB1 ALA 100 3HB ALA 100 -5.089 8.313 -5.583 644 HB2 ALA 100 1HB ALA 100 -4.420 8.100 -3.938 645 HB3 ALA 100 2HB ALA 100 -5.700 7.006 -4.533 646 H PHE 101 H PHE 101 -5.308 9.723 -1.737 647 HA PHE 101 HA PHE 101 -6.427 7.695 -0.027 648 HB3 PHE 101 1HB PHE 101 -5.802 9.707 1.671 649 HD1 PHE 101 HD2 PHE 101 -3.322 7.986 -0.702 650 HD2 PHE 101 HD1 PHE 101 -5.068 8.182 3.259 651 HE1 PHE 101 HE2 PHE 101 -1.729 6.326 0.113 652 HE2 PHE 101 HE1 PHE 101 -3.448 6.491 4.045 653 HZ PHE 101 HZ PHE 101 -1.766 5.562 2.439 654 H GLU 102 H GLU 102 -7.275 11.154 -0.475 655 HA GLU 102 HA GLU 102 -9.554 11.071 1.256 656 HB3 GLU 102 1HB GLU 102 -8.833 13.213 0.820 657 HG3 GLU 102 1HG GLU 102 -8.617 12.482 -2.030 658 H SER 103 H SER 103 -9.208 10.252 -2.179 659 HA SER 103 HA SER 103 -12.016 10.054 -2.748 660 HB3 SER 103 1HB SER 103 -11.091 8.687 -4.718 661 HG SER 103 HG SER 103 -9.580 11.035 -4.532 662 H LEU 104 H LEU 104 -9.743 7.751 -1.272 663 HA LEU 104 HA LEU 104 -11.784 5.568 -1.404 664 HB3 LEU 104 1HB LEU 104 -9.807 4.210 -0.559 665 HG LEU 104 HG LEU 104 -8.957 3.713 -2.628 666 HD11 LEU 104 1HD1 LEU 104 -11.555 4.969 -3.527 667 HD12 LEU 104 2HD1 LEU 104 -11.501 3.540 -2.476 668 HD13 LEU 104 3HD1 LEU 104 -10.807 3.484 -4.092 669 HD21 LEU 104 3HD2 LEU 104 -9.518 6.509 -3.668 670 HD22 LEU 104 1HD2 LEU 104 -9.018 5.166 -4.666 671 HD23 LEU 104 2HD2 LEU 104 -7.931 5.720 -3.397 672 H VAL 105 H VAL 105 -10.219 7.681 0.919 673 HA VAL 105 HA VAL 105 -11.243 6.274 3.219 674 HB VAL 105 HB VAL 105 -9.343 8.129 3.013 675 HG11 VAL 105 1HG1 VAL 105 -10.992 9.928 2.332 676 HG12 VAL 105 2HG1 VAL 105 -11.630 9.868 3.977 677 HG13 VAL 105 3HG1 VAL 105 -9.947 10.337 3.691 678 HG21 VAL 105 3HG2 VAL 105 -9.873 6.793 5.001 679 HG22 VAL 105 1HG2 VAL 105 -9.356 8.446 5.344 680 HG23 VAL 105 2HG2 VAL 105 -11.077 8.013 5.477 681 H GLY 106 H GLY 106 -12.656 8.412 0.886 682 HA2 GLY 106 1HA GLY 106 -14.939 8.704 0.543 683 HA3 GLY 106 2HA GLY 106 -15.286 8.372 2.258 684 H GLU 107 H GLU 107 -12.757 10.655 1.724 685 HA GLU 107 HA GLU 107 -14.483 12.889 2.663 686 HB3 GLU 107 1HB GLU 107 -12.094 13.973 2.811 687 HG3 GLU 107 1HG GLU 107 -11.607 12.760 4.961 688 H GLY 108 H GLY 108 -13.009 11.759 -0.261 689 HA2 GLY 108 1HA GLY 108 -12.660 14.279 -1.607 690 HA3 GLY 108 2HA GLY 108 -12.646 12.654 -2.343
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