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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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12214 |
1soh ![]() ![]() |
6143 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 13 H THR 13 90.593 -18.792 -4.242 2 HA THR 13 HA THR 13 88.650 -19.761 -5.003 3 HB THR 13 HB THR 13 88.530 -21.008 -2.251 4 HG1 THR 13 HG1 THR 13 89.565 -22.509 -3.265 5 1HG2 THR 13 1HG2 THR 13 86.571 -21.500 -4.468 6 2HG2 THR 13 2HG2 THR 13 86.277 -20.337 -3.174 7 3HG2 THR 13 3HG2 THR 13 86.495 -22.045 -2.792 8 H PHE 14 H PHE 14 87.705 -19.426 -1.636 9 HA PHE 14 HA PHE 14 86.033 -17.191 -2.259 10 1HB PHE 14 1HB PHE 14 85.425 -18.901 -0.563 11 2HB PHE 14 2HB PHE 14 86.754 -18.344 0.446 12 HD1 PHE 14 HD1 PHE 14 86.678 -16.085 1.448 13 HD2 PHE 14 HD2 PHE 14 83.366 -17.735 -0.653 14 HE1 PHE 14 HE1 PHE 14 85.199 -14.407 2.472 15 HE2 PHE 14 HE2 PHE 14 81.879 -16.060 0.366 16 HZ PHE 14 HZ PHE 14 82.796 -14.393 1.931 17 H LEU 15 H LEU 15 89.238 -17.633 -1.042 18 HA LEU 15 HA LEU 15 89.494 -15.029 0.131 19 1HB LEU 15 1HB LEU 15 91.874 -15.563 0.290 20 2HB LEU 15 2HB LEU 15 90.878 -16.869 0.906 21 HG LEU 15 HG LEU 15 91.196 -17.764 -1.591 22 1HD1 LEU 15 1HD1 LEU 15 93.016 -17.043 -2.706 23 2HD1 LEU 15 2HD1 LEU 15 93.936 -16.745 -1.231 24 3HD1 LEU 15 3HD1 LEU 15 92.741 -15.569 -1.777 25 1HD2 LEU 15 1HD2 LEU 15 92.790 -19.275 -0.741 26 2HD2 LEU 15 2HD2 LEU 15 91.798 -18.810 0.642 27 3HD2 LEU 15 3HD2 LEU 15 93.398 -18.101 0.427 28 H THR 16 H THR 16 89.923 -16.410 -3.032 29 HA THR 16 HA THR 16 91.614 -14.487 -4.174 30 HB THR 16 HB THR 16 89.403 -16.051 -5.520 31 HG1 THR 16 HG1 THR 16 90.939 -17.609 -5.850 32 1HG2 THR 16 1HG2 THR 16 91.126 -14.116 -6.597 33 2HG2 THR 16 2HG2 THR 16 90.057 -15.226 -7.456 34 3HG2 THR 16 3HG2 THR 16 91.728 -15.687 -7.127 35 H GLN 17 H GLN 17 88.125 -14.514 -3.671 36 HA GLN 17 HA GLN 17 87.533 -12.265 -5.256 37 1HB GLN 17 1HB GLN 17 85.412 -12.604 -4.578 38 2HB GLN 17 2HB GLN 17 86.045 -14.063 -3.831 39 1HG GLN 17 1HG GLN 17 86.109 -13.079 -1.706 40 2HG GLN 17 2HG GLN 17 85.934 -11.451 -2.361 41 1HE2 GLN 17 1HE2 GLN 17 84.234 -11.484 -0.637 42 2HE2 GLN 17 2HE2 GLN 17 82.651 -12.001 -1.098 43 H VAL 18 H VAL 18 88.092 -12.537 -1.742 44 HA VAL 18 HA VAL 18 87.982 -9.769 -1.219 45 HB VAL 18 HB VAL 18 89.800 -11.492 0.403 46 1HG1 VAL 18 1HG1 VAL 18 87.647 -9.673 1.403 47 2HG1 VAL 18 2HG1 VAL 18 89.172 -9.021 0.803 48 3HG1 VAL 18 3HG1 VAL 18 89.167 -10.134 2.171 49 1HG2 VAL 18 1HG2 VAL 18 87.576 -12.126 1.659 50 2HG2 VAL 18 2HG2 VAL 18 88.159 -13.100 0.309 51 3HG2 VAL 18 3HG2 VAL 18 86.871 -11.924 0.055 52 H LYS 19 H LYS 19 90.538 -11.915 -2.272 53 HA LYS 19 HA LYS 19 92.754 -10.284 -1.872 54 1HB LYS 19 1HB LYS 19 92.405 -12.742 -2.931 55 2HB LYS 19 2HB LYS 19 92.661 -11.822 -4.406 56 1HG LYS 19 1HG LYS 19 94.827 -11.254 -3.834 57 2HG LYS 19 2HG LYS 19 94.553 -11.533 -2.114 58 1HD LYS 19 1HD LYS 19 95.627 -13.473 -2.493 59 2HD LYS 19 2HD LYS 19 94.069 -14.005 -3.131 60 1HE LYS 19 1HE LYS 19 94.732 -13.649 -5.351 61 2HE LYS 19 2HE LYS 19 96.102 -12.649 -4.872 62 1HZ LYS 19 1HZ LYS 19 95.876 -15.541 -5.006 63 2HZ LYS 19 2HZ LYS 19 96.729 -14.936 -3.677 64 3HZ LYS 19 3HZ LYS 19 97.224 -14.547 -5.247 65 H GLU 20 H GLU 20 90.148 -10.065 -4.135 66 HA GLU 20 HA GLU 20 91.492 -8.245 -5.925 67 1HB GLU 20 1HB GLU 20 88.547 -8.865 -5.619 68 2HB GLU 20 2HB GLU 20 89.269 -7.956 -6.940 69 1HG GLU 20 1HG GLU 20 90.711 -10.262 -7.009 70 2HG GLU 20 2HG GLU 20 89.128 -10.841 -6.491 71 H SER 21 H SER 21 89.687 -8.044 -2.988 72 HA SER 21 HA SER 21 89.270 -5.174 -3.245 73 1HB SER 21 1HB SER 21 87.981 -7.312 -1.849 74 2HB SER 21 2HB SER 21 88.508 -6.101 -0.686 75 HG SER 21 HG SER 21 86.358 -5.954 -2.026 76 H LEU 22 H LEU 22 90.772 -7.454 -0.914 77 HA LEU 22 HA LEU 22 91.973 -5.498 0.685 78 1HB LEU 22 1HB LEU 22 93.356 -7.236 1.569 79 2HB LEU 22 2HB LEU 22 91.762 -7.904 1.274 80 HG LEU 22 HG LEU 22 92.886 -8.612 -1.026 81 1HD1 LEU 22 1HD1 LEU 22 95.136 -7.959 0.779 82 2HD1 LEU 22 2HD1 LEU 22 95.043 -7.920 -0.981 83 3HD1 LEU 22 3HD1 LEU 22 95.255 -9.458 -0.143 84 1HD2 LEU 22 1HD2 LEU 22 93.499 -10.776 0.095 85 2HD2 LEU 22 2HD2 LEU 22 91.866 -10.197 0.420 86 3HD2 LEU 22 3HD2 LEU 22 93.130 -9.999 1.635 87 H SER 23 H SER 23 92.718 -6.584 -2.463 88 HA SER 23 HA SER 23 95.425 -5.490 -2.385 89 1HB SER 23 1HB SER 23 94.954 -7.685 -3.523 90 2HB SER 23 2HB SER 23 94.007 -6.796 -4.716 91 HG SER 23 HG SER 23 95.933 -6.774 -5.642 92 H SER 24 H SER 24 92.219 -4.644 -3.324 93 HA SER 24 HA SER 24 92.858 -2.766 -5.349 94 1HB SER 24 1HB SER 24 90.582 -1.995 -5.136 95 2HB SER 24 2HB SER 24 90.582 -3.751 -4.969 96 HG SER 24 HG SER 24 90.067 -1.776 -3.075 97 H TYR 25 H TYR 25 93.366 -2.709 -2.024 98 HA TYR 25 HA TYR 25 93.594 0.224 -2.027 99 1HB TYR 25 1HB TYR 25 93.308 -1.620 0.359 100 2HB TYR 25 2HB TYR 25 93.384 0.138 0.410 101 HD1 TYR 25 HD1 TYR 25 91.577 0.926 -1.746 102 HD2 TYR 25 HD2 TYR 25 91.192 -2.202 1.112 103 HE1 TYR 25 HE1 TYR 25 89.130 1.039 -1.960 104 HE2 TYR 25 HE2 TYR 25 88.744 -2.098 0.905 105 HH TYR 25 HH TYR 25 87.154 -0.817 -1.510 106 H TRP 26 H TRP 26 95.312 -2.586 -2.258 107 HA TRP 26 HA TRP 26 97.655 -1.634 -0.803 108 1HB TRP 26 1HB TRP 26 97.030 -4.036 -0.675 109 2HB TRP 26 2HB TRP 26 97.274 -4.172 -2.415 110 HD1 TRP 26 HD1 TRP 26 99.904 -3.610 -3.244 111 HE1 TRP 26 HE1 TRP 26 102.102 -4.273 -2.088 112 HE3 TRP 26 HE3 TRP 26 98.111 -4.498 1.462 113 HZ2 TRP 26 HZ2 TRP 26 102.966 -5.068 0.479 114 HZ3 TRP 26 HZ3 TRP 26 99.690 -5.207 3.209 115 HH2 TRP 26 HH2 TRP 26 102.068 -5.486 2.727 116 H GLU 27 H GLU 27 96.304 -1.792 -3.963 117 HA GLU 27 HA GLU 27 98.802 -1.332 -5.338 118 1HB GLU 27 1HB GLU 27 96.673 -2.542 -6.230 119 2HB GLU 27 2HB GLU 27 96.101 -0.915 -6.569 120 1HG GLU 27 1HG GLU 27 98.304 -0.602 -7.827 121 2HG GLU 27 2HG GLU 27 98.448 -2.357 -7.741 122 H SER 28 H SER 28 96.306 0.534 -3.883 123 HA SER 28 HA SER 28 96.861 2.963 -5.314 124 1HB SER 28 1HB SER 28 94.679 2.251 -4.069 125 2HB SER 28 2HB SER 28 95.504 2.861 -2.639 126 HG SER 28 HG SER 28 95.808 4.845 -3.899 127 H ALA 29 H ALA 29 97.572 1.697 -2.100 128 HA ALA 29 HA ALA 29 98.937 3.830 -1.009 129 1HB ALA 29 1HB ALA 29 99.092 0.884 -0.650 130 2HB ALA 29 2HB ALA 29 98.700 2.147 0.516 131 3HB ALA 29 3HB ALA 29 100.377 1.869 0.049 132 H LYS 30 H LYS 30 99.911 1.647 -3.528 133 HA LYS 30 HA LYS 30 102.677 2.517 -3.475 134 1HB LYS 30 1HB LYS 30 101.237 0.749 -5.462 135 2HB LYS 30 2HB LYS 30 102.975 0.991 -5.365 136 1HG LYS 30 1HG LYS 30 102.859 0.050 -3.029 137 2HG LYS 30 2HG LYS 30 101.195 -0.410 -3.394 138 1HD LYS 30 1HD LYS 30 102.248 -2.338 -4.008 139 2HD LYS 30 2HD LYS 30 102.353 -1.462 -5.537 140 1HE LYS 30 1HE LYS 30 104.593 -0.585 -4.299 141 2HE LYS 30 2HE LYS 30 104.466 -2.210 -3.628 142 1HZ LYS 30 1HZ LYS 30 104.544 -3.153 -5.773 143 2HZ LYS 30 2HZ LYS 30 105.780 -2.000 -5.736 144 3HZ LYS 30 3HZ LYS 30 104.329 -1.657 -6.536 145 H THR 31 H THR 31 99.715 3.175 -5.220 146 HA THR 31 HA THR 31 100.909 4.534 -7.412 147 HB THR 31 HB THR 31 98.664 5.390 -7.864 148 HG1 THR 31 HG1 THR 31 97.775 5.877 -5.960 149 1HG2 THR 31 1HG2 THR 31 97.540 2.925 -7.186 150 2HG2 THR 31 2HG2 THR 31 99.241 2.607 -7.528 151 3HG2 THR 31 3HG2 THR 31 98.233 3.408 -8.733 152 H ALA 32 H ALA 32 100.052 5.447 -4.166 153 HA ALA 32 HA ALA 32 100.741 8.248 -4.762 154 1HB ALA 32 1HB ALA 32 98.492 7.607 -3.675 155 2HB ALA 32 2HB ALA 32 99.416 8.937 -2.979 156 3HB ALA 32 3HB ALA 32 99.444 7.348 -2.214 157 H ALA 33 H ALA 33 102.558 5.886 -4.246 158 HA ALA 33 HA ALA 33 103.873 6.779 -1.783 159 1HB ALA 33 1HB ALA 33 103.387 4.253 -2.715 160 2HB ALA 33 2HB ALA 33 104.596 4.674 -1.504 161 3HB ALA 33 3HB ALA 33 105.064 4.509 -3.196 162 H GLN 34 H GLN 34 104.749 5.893 -5.126 163 HA GLN 34 HA GLN 34 107.335 6.972 -5.056 164 1HB GLN 34 1HB GLN 34 105.480 5.991 -7.113 165 2HB GLN 34 2HB GLN 34 106.612 7.206 -7.692 166 1HG GLN 34 1HG GLN 34 107.411 4.899 -8.001 167 2HG GLN 34 2HG GLN 34 108.483 5.878 -7.002 168 1HE2 GLN 34 1HE2 GLN 34 109.342 4.679 -5.474 169 2HE2 GLN 34 2HE2 GLN 34 108.522 3.489 -4.527 170 H ASN 35 H ASN 35 104.263 8.476 -5.275 171 HA ASN 35 HA ASN 35 105.057 10.879 -6.576 172 1HB ASN 35 1HB ASN 35 102.675 9.835 -6.111 173 2HB ASN 35 2HB ASN 35 102.780 10.795 -4.643 174 1HD2 ASN 35 1HD2 ASN 35 103.625 13.108 -5.124 175 2HD2 ASN 35 2HD2 ASN 35 102.827 13.916 -6.425 176 H LEU 36 H LEU 36 104.209 10.215 -3.184 177 HA LEU 36 HA LEU 36 105.265 12.687 -2.239 178 1HB LEU 36 1HB LEU 36 104.953 10.326 -0.438 179 2HB LEU 36 2HB LEU 36 104.618 12.016 -0.120 180 HG LEU 36 HG LEU 36 102.937 10.139 -1.778 181 1HD1 LEU 36 1HD1 LEU 36 102.403 11.493 0.861 182 2HD1 LEU 36 2HD1 LEU 36 102.765 9.782 0.631 183 3HD1 LEU 36 3HD1 LEU 36 101.277 10.465 -0.026 184 1HD2 LEU 36 1HD2 LEU 36 101.736 11.866 -2.563 185 2HD2 LEU 36 2HD2 LEU 36 103.186 12.811 -2.225 186 3HD2 LEU 36 3HD2 LEU 36 101.866 12.772 -1.056 187 H TYR 37 H TYR 37 106.525 9.421 -2.511 188 HA TYR 37 HA TYR 37 108.809 9.676 -0.934 189 1HB TYR 37 1HB TYR 37 108.031 7.936 -3.223 190 2HB TYR 37 2HB TYR 37 109.725 7.964 -2.749 191 HD1 TYR 37 HD1 TYR 37 110.061 5.865 -1.780 192 HD2 TYR 37 HD2 TYR 37 106.709 8.195 -0.581 193 HE1 TYR 37 HE1 TYR 37 109.589 4.251 0.014 194 HE2 TYR 37 HE2 TYR 37 106.228 6.587 1.216 195 HH TYR 37 HH TYR 37 106.667 4.259 1.772 196 H GLU 38 H GLU 38 108.073 11.065 -3.974 197 HA GLU 38 HA GLU 38 110.709 11.454 -4.940 198 1HB GLU 38 1HB GLU 38 108.059 12.738 -5.536 199 2HB GLU 38 2HB GLU 38 109.539 13.360 -6.251 200 1HG GLU 38 1HG GLU 38 109.786 11.586 -7.631 201 2HG GLU 38 2HG GLU 38 109.062 10.454 -6.490 202 H LYS 39 H LYS 39 108.642 13.234 -2.746 203 HA LYS 39 HA LYS 39 110.547 15.440 -2.605 204 1HB LYS 39 1HB LYS 39 107.931 15.608 -2.607 205 2HB LYS 39 2HB LYS 39 108.097 15.250 -0.893 206 1HG LYS 39 1HG LYS 39 109.221 17.233 -0.458 207 2HG LYS 39 2HG LYS 39 109.673 17.461 -2.149 208 1HD LYS 39 1HD LYS 39 107.710 18.443 -2.674 209 2HD LYS 39 2HD LYS 39 106.778 17.374 -1.622 210 1HE LYS 39 1HE LYS 39 106.532 19.255 -0.399 211 2HE LYS 39 2HE LYS 39 108.111 18.790 0.231 212 1HZ LYS 39 1HZ LYS 39 108.128 20.399 -2.189 213 2HZ LYS 39 2HZ LYS 39 109.129 20.479 -0.827 214 3HZ LYS 39 3HZ LYS 39 107.592 21.183 -0.788 215 H THR 40 H THR 40 110.819 12.555 -1.466 216 HA THR 40 HA THR 40 111.709 11.539 0.364 217 HB THR 40 HB THR 40 112.840 14.088 1.383 218 HG1 THR 40 HG1 THR 40 113.813 14.613 -0.398 219 1HG2 THR 40 1HG2 THR 40 113.479 11.425 1.675 220 2HG2 THR 40 2HG2 THR 40 114.492 12.803 2.107 221 3HG2 THR 40 3HG2 THR 40 114.683 12.026 0.536 222 H TYR 41 H TYR 41 109.065 12.337 0.722 223 HA TYR 41 HA TYR 41 107.467 12.877 2.266 224 1HB TYR 41 1HB TYR 41 108.237 10.686 2.985 225 2HB TYR 41 2HB TYR 41 109.496 11.427 3.956 226 HD1 TYR 41 HD1 TYR 41 106.171 12.941 3.839 227 HD2 TYR 41 HD2 TYR 41 108.704 10.256 5.958 228 HE1 TYR 41 HE1 TYR 41 104.634 13.011 5.756 229 HE2 TYR 41 HE2 TYR 41 107.171 10.319 7.878 230 HH TYR 41 HH TYR 41 104.120 11.291 7.768 231 H LEU 42 H LEU 42 109.418 14.944 1.856 232 HA LEU 42 HA LEU 42 110.544 16.184 3.987 233 1HB LEU 42 1HB LEU 42 109.865 16.910 1.408 234 2HB LEU 42 2HB LEU 42 109.017 18.085 2.395 235 HG LEU 42 HG LEU 42 111.277 18.456 3.567 236 1HD1 LEU 42 1HD1 LEU 42 112.131 16.331 2.232 237 2HD1 LEU 42 2HD1 LEU 42 113.205 17.664 2.659 238 3HD1 LEU 42 3HD1 LEU 42 112.530 17.562 1.033 239 1HD2 LEU 42 1HD2 LEU 42 112.029 19.742 1.335 240 2HD2 LEU 42 2HD2 LEU 42 110.720 20.296 2.380 241 3HD2 LEU 42 3HD2 LEU 42 110.356 19.377 0.919 242 HA PRO 43 HA PRO 43 106.031 18.321 4.804 243 1HB PRO 43 1HB PRO 43 104.833 15.580 4.578 244 2HB PRO 43 2HB PRO 43 104.063 17.159 4.373 245 1HG PRO 43 1HG PRO 43 104.808 15.736 2.252 246 2HG PRO 43 2HG PRO 43 105.007 17.498 2.282 247 1HD PRO 43 1HD PRO 43 107.048 15.366 2.466 248 2HD PRO 43 2HD PRO 43 107.212 17.038 1.901 249 H ALA 44 H ALA 44 107.334 15.190 5.834 250 HA ALA 44 HA ALA 44 107.349 16.071 8.564 251 1HB ALA 44 1HB ALA 44 105.975 13.957 9.254 252 2HB ALA 44 2HB ALA 44 105.280 14.134 7.643 253 3HB ALA 44 3HB ALA 44 105.153 15.453 8.807 254 H VAL 45 H VAL 45 109.157 14.906 6.470 255 HA VAL 45 HA VAL 45 109.889 12.311 7.458 256 HB VAL 45 HB VAL 45 110.354 12.886 5.138 257 1HG1 VAL 45 1HG1 VAL 45 112.568 14.712 5.954 258 2HG1 VAL 45 2HG1 VAL 45 110.925 15.341 5.843 259 3HG1 VAL 45 3HG1 VAL 45 111.691 14.623 4.427 260 1HG2 VAL 45 1HG2 VAL 45 111.875 11.282 5.444 261 2HG2 VAL 45 2HG2 VAL 45 112.373 11.936 7.005 262 3HG2 VAL 45 3HG2 VAL 45 113.065 12.582 5.516 263 H ASP 46 H ASP 46 110.938 15.620 7.926 264 HA ASP 46 HA ASP 46 113.239 14.977 9.488 265 1HB ASP 46 1HB ASP 46 111.690 17.477 8.909 266 2HB ASP 46 2HB ASP 46 112.860 17.474 10.225 267 H GLU 47 H GLU 47 109.868 15.079 10.103 268 HA GLU 47 HA GLU 47 110.384 14.982 13.003 269 1HB GLU 47 1HB GLU 47 107.916 15.944 11.549 270 2HB GLU 47 2HB GLU 47 108.044 15.770 13.293 271 1HG GLU 47 1HG GLU 47 110.146 17.396 12.048 272 2HG GLU 47 2HG GLU 47 108.515 18.058 11.938 273 H LYS 48 H LYS 48 110.169 12.861 10.748 274 HA LYS 48 HA LYS 48 108.729 10.971 12.372 275 1HB LYS 48 1HB LYS 48 107.040 12.113 10.798 276 2HB LYS 48 2HB LYS 48 107.834 11.215 9.512 277 1HG LYS 48 1HG LYS 48 106.871 9.281 10.097 278 2HG LYS 48 2HG LYS 48 107.064 9.590 11.824 279 1HD LYS 48 1HD LYS 48 105.104 10.907 11.907 280 2HD LYS 48 2HD LYS 48 105.021 11.027 10.147 281 1HE LYS 48 1HE LYS 48 103.530 9.361 10.310 282 2HE LYS 48 2HE LYS 48 104.945 8.330 10.517 283 1HZ LYS 48 1HZ LYS 48 104.687 8.818 12.977 284 2HZ LYS 48 2HZ LYS 48 103.533 7.797 12.281 285 3HZ LYS 48 3HZ LYS 48 103.148 9.413 12.602 286 H LEU 49 H LEU 49 110.128 11.392 9.108 287 HA LEU 49 HA LEU 49 111.196 8.685 9.253 288 1HB LEU 49 1HB LEU 49 110.624 10.601 7.140 289 2HB LEU 49 2HB LEU 49 112.211 9.883 6.954 290 HG LEU 49 HG LEU 49 111.223 7.646 6.967 291 1HD1 LEU 49 1HD1 LEU 49 108.813 9.170 7.730 292 2HD1 LEU 49 2HD1 LEU 49 109.319 7.541 8.178 293 3HD1 LEU 49 3HD1 LEU 49 108.574 7.832 6.606 294 1HD2 LEU 49 1HD2 LEU 49 110.385 9.710 5.008 295 2HD2 LEU 49 2HD2 LEU 49 109.647 8.113 4.886 296 3HD2 LEU 49 3HD2 LEU 49 111.400 8.284 4.790 297 H ARG 50 H ARG 50 112.173 10.331 11.208 298 HA ARG 50 HA ARG 50 114.926 9.984 11.021 299 1HB ARG 50 1HB ARG 50 114.012 12.360 9.730 300 2HB ARG 50 2HB ARG 50 114.906 12.827 11.170 301 1HG ARG 50 1HG ARG 50 116.845 12.365 10.202 302 2HG ARG 50 2HG ARG 50 116.299 10.753 9.739 303 1HD ARG 50 1HD ARG 50 115.541 11.459 7.676 304 2HD ARG 50 2HD ARG 50 115.345 13.130 8.203 305 HE ARG 50 HE ARG 50 118.078 12.319 8.229 306 1HH1 ARG 50 1HH1 ARG 50 115.500 13.392 6.135 307 2HH1 ARG 50 2HH1 ARG 50 116.572 14.057 4.949 308 1HH2 ARG 50 1HH2 ARG 50 119.489 13.194 6.671 309 2HH2 ARG 50 2HH2 ARG 50 118.837 13.944 5.252 310 H ASP 51 H ASP 51 112.155 11.491 12.511 311 HA ASP 51 HA ASP 51 113.658 11.680 15.038 312 1HB ASP 51 1HB ASP 51 112.622 13.801 14.079 313 2HB ASP 51 2HB ASP 51 111.054 13.082 14.435 314 H LEU 52 H LEU 52 110.743 10.481 13.493 315 HA LEU 52 HA LEU 52 109.804 9.304 15.984 316 1HB LEU 52 1HB LEU 52 108.312 10.403 14.214 317 2HB LEU 52 2HB LEU 52 108.561 8.947 13.271 318 HG LEU 52 HG LEU 52 107.666 8.463 16.030 319 1HD1 LEU 52 1HD1 LEU 52 106.270 10.302 15.850 320 2HD1 LEU 52 2HD1 LEU 52 105.261 8.991 15.240 321 3HD1 LEU 52 3HD1 LEU 52 106.049 10.094 14.113 322 1HD2 LEU 52 1HD2 LEU 52 105.939 7.221 14.328 323 2HD2 LEU 52 2HD2 LEU 52 107.452 6.530 14.914 324 3HD2 LEU 52 3HD2 LEU 52 107.398 7.327 13.342 325 H TYR 53 H TYR 53 112.251 8.457 14.279 326 HA TYR 53 HA TYR 53 111.641 5.589 14.373 327 1HB TYR 53 1HB TYR 53 112.082 7.012 12.036 328 2HB TYR 53 2HB TYR 53 113.652 6.298 12.383 329 HD1 TYR 53 HD1 TYR 53 110.154 5.050 12.808 330 HD2 TYR 53 HD2 TYR 53 113.971 4.454 11.026 331 HE1 TYR 53 HE1 TYR 53 109.375 2.915 11.871 332 HE2 TYR 53 HE2 TYR 53 113.203 2.316 10.084 333 HH TYR 53 HH TYR 53 111.015 1.260 9.457 334 H SER 54 H SER 54 114.175 8.059 14.295 335 HA SER 54 HA SER 54 116.226 8.187 15.262 336 1HB SER 54 1HB SER 54 114.597 6.653 17.230 337 2HB SER 54 2HB SER 54 116.339 6.734 17.492 338 HG SER 54 HG SER 54 116.202 8.962 17.555 339 H LYS 55 H LYS 55 116.241 6.528 13.147 340 HA LYS 55 HA LYS 55 117.369 4.826 12.133 341 1HB LYS 55 1HB LYS 55 119.153 6.118 13.686 342 2HB LYS 55 2HB LYS 55 119.258 4.513 14.396 343 1HG LYS 55 1HG LYS 55 120.288 3.636 12.598 344 2HG LYS 55 2HG LYS 55 119.362 4.612 11.456 345 1HD LYS 55 1HD LYS 55 121.415 5.897 13.213 346 2HD LYS 55 2HD LYS 55 121.911 5.043 11.750 347 1HE LYS 55 1HE LYS 55 120.443 6.462 10.415 348 2HE LYS 55 2HE LYS 55 119.912 7.299 11.873 349 1HZ LYS 55 1HZ LYS 55 122.443 7.504 10.426 350 2HZ LYS 55 2HZ LYS 55 122.495 7.670 12.109 351 3HZ LYS 55 3HZ LYS 55 121.532 8.710 11.186 352 H SER 56 H SER 56 115.278 4.240 14.266 353 HA SER 56 HA SER 56 115.880 1.954 15.715 354 1HB SER 56 1HB SER 56 113.791 3.035 16.117 355 2HB SER 56 2HB SER 56 113.297 2.854 14.435 356 HG SER 56 HG SER 56 113.538 0.852 16.419 357 H THR 57 H THR 57 114.629 2.217 12.413 358 HA THR 57 HA THR 57 115.862 -0.336 11.764 359 HB THR 57 HB THR 57 112.996 0.142 10.995 360 HG1 THR 57 HG1 THR 57 113.941 -1.306 13.241 361 1HG2 THR 57 1HG2 THR 57 113.134 -2.462 11.082 362 2HG2 THR 57 2HG2 THR 57 114.860 -2.168 10.865 363 3HG2 THR 57 3HG2 THR 57 113.706 -1.576 9.670 364 H ALA 58 H ALA 58 116.076 2.604 11.106 365 HA ALA 58 HA ALA 58 115.351 2.824 8.336 366 1HB ALA 58 1HB ALA 58 115.762 4.686 10.181 367 2HB ALA 58 2HB ALA 58 116.041 4.998 8.467 368 3HB ALA 58 3HB ALA 58 117.398 4.621 9.526 369 H ALA 59 H ALA 59 118.362 2.376 10.149 370 HA ALA 59 HA ALA 59 119.997 2.133 7.824 371 1HB ALA 59 1HB ALA 59 121.749 1.972 9.258 372 2HB ALA 59 2HB ALA 59 120.889 0.900 10.363 373 3HB ALA 59 3HB ALA 59 120.565 2.633 10.386 374 H MET 60 H MET 60 117.974 -0.026 9.618 375 HA MET 60 HA MET 60 119.235 -2.443 8.712 376 1HB MET 60 1HB MET 60 116.841 -1.731 10.312 377 2HB MET 60 2HB MET 60 116.791 -3.276 9.474 378 1HG MET 60 1HG MET 60 117.773 -4.044 11.327 379 2HG MET 60 2HG MET 60 119.242 -3.402 10.595 380 1HE MET 60 1HE MET 60 118.910 -4.182 13.363 381 2HE MET 60 2HE MET 60 118.850 -2.914 14.588 382 3HE MET 60 3HE MET 60 120.280 -3.090 13.571 383 H SER 61 H SER 61 116.753 -0.299 7.560 384 HA SER 61 HA SER 61 115.727 -2.163 5.606 385 1HB SER 61 1HB SER 61 114.678 0.158 4.793 386 2HB SER 61 2HB SER 61 114.022 -0.735 6.165 387 HG SER 61 HG SER 61 114.462 0.959 7.306 388 H THR 62 H THR 62 117.030 1.110 5.147 389 HA THR 62 HA THR 62 118.356 2.032 3.561 390 HB THR 62 HB THR 62 119.336 -0.771 3.340 391 HG1 THR 62 HG1 THR 62 119.958 -0.373 5.308 392 1HG2 THR 62 1HG2 THR 62 120.521 0.061 1.627 393 2HG2 THR 62 2HG2 THR 62 121.530 0.724 2.912 394 3HG2 THR 62 3HG2 THR 62 120.296 1.728 2.153 395 H TYR 63 H TYR 63 115.879 0.107 2.877 396 HA TYR 63 HA TYR 63 116.034 -0.954 0.399 397 1HB TYR 63 1HB TYR 63 113.884 0.418 1.894 398 2HB TYR 63 2HB TYR 63 113.637 0.234 0.166 399 HD1 TYR 63 HD1 TYR 63 114.245 -1.625 3.303 400 HD2 TYR 63 HD2 TYR 63 113.047 -1.863 -0.773 401 HE1 TYR 63 HE1 TYR 63 113.503 -3.942 3.662 402 HE2 TYR 63 HE2 TYR 63 112.301 -4.180 -0.423 403 HH TYR 63 HH TYR 63 111.626 -5.651 1.355 404 H THR 64 H THR 64 116.153 2.422 1.222 405 HA THR 64 HA THR 64 115.553 3.642 -1.183 406 HB THR 64 HB THR 64 117.885 4.519 0.509 407 HG1 THR 64 HG1 THR 64 116.533 4.424 2.116 408 1HG2 THR 64 1HG2 THR 64 116.527 5.723 -1.608 409 2HG2 THR 64 2HG2 THR 64 117.688 6.468 -0.509 410 3HG2 THR 64 3HG2 THR 64 115.963 6.539 -0.151 411 H GLY 65 H GLY 65 118.303 1.693 -0.305 412 1HA GLY 65 1HA GLY 65 119.611 2.376 -2.860 413 2HA GLY 65 2HA GLY 65 120.416 1.659 -1.474 414 H ILE 66 H ILE 66 117.588 0.043 -1.577 415 HA ILE 66 HA ILE 66 118.718 -2.047 -3.315 416 HB ILE 66 HB ILE 66 116.711 -2.504 -1.130 417 1HG1 ILE 66 1HG1 ILE 66 119.711 -2.812 -0.906 418 2HG1 ILE 66 2HG1 ILE 66 118.799 -1.472 -0.218 419 1HG2 ILE 66 1HG2 ILE 66 116.806 -4.651 -1.709 420 2HG2 ILE 66 2HG2 ILE 66 118.569 -4.638 -1.752 421 3HG2 ILE 66 3HG2 ILE 66 117.649 -4.125 -3.165 422 1HD1 ILE 66 1HD1 ILE 66 117.977 -2.727 1.474 423 2HD1 ILE 66 2HD1 ILE 66 119.461 -3.631 1.176 424 3HD1 ILE 66 3HD1 ILE 66 117.931 -4.202 0.509 425 H PHE 67 H PHE 67 116.157 0.152 -2.997 426 HA PHE 67 HA PHE 67 113.888 -1.059 -3.865 427 1HB PHE 67 1HB PHE 67 114.674 1.532 -3.607 428 2HB PHE 67 2HB PHE 67 114.514 1.411 -5.357 429 HD1 PHE 67 HD1 PHE 67 112.811 1.911 -2.291 430 HD2 PHE 67 HD2 PHE 67 112.301 0.450 -6.255 431 HE1 PHE 67 HE1 PHE 67 110.376 2.199 -2.079 432 HE2 PHE 67 HE2 PHE 67 109.865 0.736 -6.051 433 HZ PHE 67 HZ PHE 67 108.900 1.611 -3.961 434 H THR 68 H THR 68 116.780 -0.482 -5.724 435 HA THR 68 HA THR 68 115.489 -1.632 -8.101 436 HB THR 68 HB THR 68 118.088 -0.094 -7.921 437 HG1 THR 68 HG1 THR 68 116.961 1.645 -8.249 438 1HG2 THR 68 1HG2 THR 68 117.771 -1.712 -9.863 439 2HG2 THR 68 2HG2 THR 68 118.164 -0.036 -10.246 440 3HG2 THR 68 3HG2 THR 68 116.505 -0.613 -10.407 441 H ASP 69 H ASP 69 117.902 -2.140 -5.683 442 HA ASP 69 HA ASP 69 119.399 -4.120 -7.104 443 1HB ASP 69 1HB ASP 69 119.895 -2.670 -4.874 444 2HB ASP 69 2HB ASP 69 119.387 -4.189 -4.142 445 H GLN 70 H GLN 70 116.669 -4.137 -4.890 446 HA GLN 70 HA GLN 70 116.592 -6.946 -4.490 447 1HB GLN 70 1HB GLN 70 115.446 -5.042 -3.144 448 2HB GLN 70 2HB GLN 70 114.165 -5.183 -4.341 449 1HG GLN 70 1HG GLN 70 114.632 -7.793 -3.558 450 2HG GLN 70 2HG GLN 70 114.778 -6.863 -2.066 451 1HE2 GLN 70 1HE2 GLN 70 112.719 -6.582 -4.943 452 2HE2 GLN 70 2HE2 GLN 70 111.222 -6.578 -4.082 453 H VAL 71 H VAL 71 115.304 -4.798 -6.931 454 HA VAL 71 HA VAL 71 113.706 -6.914 -8.131 455 HB VAL 71 HB VAL 71 114.143 -4.047 -8.969 456 1HG1 VAL 71 1HG1 VAL 71 112.278 -4.376 -10.506 457 2HG1 VAL 71 2HG1 VAL 71 112.168 -6.070 -10.026 458 3HG1 VAL 71 3HG1 VAL 71 113.597 -5.486 -10.879 459 1HG2 VAL 71 1HG2 VAL 71 112.844 -3.755 -7.137 460 2HG2 VAL 71 2HG2 VAL 71 112.199 -5.395 -7.197 461 3HG2 VAL 71 3HG2 VAL 71 111.563 -4.158 -8.281 462 H LEU 72 H LEU 72 116.654 -5.085 -8.730 463 HA LEU 72 HA LEU 72 117.143 -5.882 -11.365 464 1HB LEU 72 1HB LEU 72 118.394 -4.096 -10.302 465 2HB LEU 72 2HB LEU 72 119.088 -5.225 -9.154 466 HG LEU 72 HG LEU 72 120.170 -6.391 -11.122 467 1HD1 LEU 72 1HD1 LEU 72 120.460 -4.569 -13.032 468 2HD1 LEU 72 2HD1 LEU 72 118.837 -4.130 -12.497 469 3HD1 LEU 72 3HD1 LEU 72 119.167 -5.768 -13.061 470 1HD2 LEU 72 1HD2 LEU 72 120.832 -3.715 -10.050 471 2HD2 LEU 72 2HD2 LEU 72 121.737 -4.255 -11.463 472 3HD2 LEU 72 3HD2 LEU 72 121.745 -5.221 -9.989 473 H SER 73 H SER 73 117.590 -7.554 -8.340 474 HA SER 73 HA SER 73 119.260 -9.622 -9.433 475 1HB SER 73 1HB SER 73 117.831 -9.264 -6.803 476 2HB SER 73 2HB SER 73 118.667 -10.764 -7.208 477 HG SER 73 HG SER 73 119.862 -8.997 -6.044 478 H VAL 74 H VAL 74 115.858 -9.046 -9.113 479 HA VAL 74 HA VAL 74 114.859 -11.648 -9.206 480 HB VAL 74 HB VAL 74 113.680 -9.145 -10.422 481 1HG1 VAL 74 1HG1 VAL 74 112.586 -11.049 -11.381 482 2HG1 VAL 74 2HG1 VAL 74 111.514 -10.361 -10.161 483 3HG1 VAL 74 3HG1 VAL 74 112.436 -11.821 -9.802 484 1HG2 VAL 74 1HG2 VAL 74 114.085 -8.876 -8.061 485 2HG2 VAL 74 2HG2 VAL 74 113.315 -10.424 -7.717 486 3HG2 VAL 74 3HG2 VAL 74 112.355 -9.079 -8.333 487 H LEU 75 H LEU 75 116.193 -9.612 -11.712 488 HA LEU 75 HA LEU 75 115.249 -10.924 -13.983 489 1HB LEU 75 1HB LEU 75 117.005 -8.852 -13.458 490 2HB LEU 75 2HB LEU 75 118.031 -10.065 -14.201 491 HG LEU 75 HG LEU 75 117.251 -8.598 -15.920 492 1HD1 LEU 75 1HD1 LEU 75 116.559 -10.161 -17.441 493 2HD1 LEU 75 2HD1 LEU 75 115.430 -10.918 -16.317 494 3HD1 LEU 75 3HD1 LEU 75 117.162 -11.212 -16.158 495 1HD2 LEU 75 1HD2 LEU 75 115.198 -7.930 -14.503 496 2HD2 LEU 75 2HD2 LEU 75 114.399 -9.275 -15.317 497 3HD2 LEU 75 3HD2 LEU 75 115.053 -7.937 -16.261 498 H LYS 76 H LYS 76 117.557 -11.900 -11.616 499 HA LYS 76 HA LYS 76 117.659 -14.549 -12.528 500 1HB LYS 76 1HB LYS 76 119.110 -13.364 -14.267 501 2HB LYS 76 2HB LYS 76 120.271 -13.108 -12.971 502 1HG LYS 76 1HG LYS 76 120.794 -15.345 -12.814 503 2HG LYS 76 2HG LYS 76 119.265 -15.860 -13.529 504 1HD LYS 76 1HD LYS 76 120.040 -15.665 -15.640 505 2HD LYS 76 2HD LYS 76 120.984 -14.220 -15.268 506 1HE LYS 76 1HE LYS 76 122.474 -15.906 -13.933 507 2HE LYS 76 2HE LYS 76 121.721 -17.100 -14.990 508 1HZ LYS 76 1HZ LYS 76 123.926 -15.785 -15.631 509 2HZ LYS 76 2HZ LYS 76 122.784 -14.719 -16.280 510 3HZ LYS 76 3HZ LYS 76 122.818 -16.332 -16.788 511 H GLY 77 H GLY 77 117.705 -15.527 -10.649 512 1HA GLY 77 1HA GLY 77 119.147 -16.275 -8.821 513 2HA GLY 77 2HA GLY 77 119.647 -14.602 -8.627 514 H GLU 78 H GLU 78 116.515 -14.286 -9.290 515 HA GLU 78 HA GLU 78 114.770 -13.567 -8.007 516 1HB GLU 78 1HB GLU 78 114.455 -16.014 -8.163 517 2HB GLU 78 2HB GLU 78 115.320 -16.204 -6.645 518 1HG GLU 78 1HG GLU 78 113.407 -15.978 -5.564 519 2HG GLU 78 2HG GLU 78 113.290 -14.324 -6.163 520 H GLU 79 H GLU 79 117.380 -12.693 -7.073 521 HA GLU 79 HA GLU 79 117.066 -12.668 -4.164 522 1HB GLU 79 1HB GLU 79 119.308 -12.257 -6.041 523 2HB GLU 79 2HB GLU 79 119.317 -11.219 -4.622 524 1HG GLU 79 1HG GLU 79 119.278 -14.227 -4.657 525 2HG GLU 79 2HG GLU 79 120.623 -13.186 -4.193 Start of MODEL 2 1 H THR 13 H THR 13 82.075 -17.522 1.749 2 HA THR 13 HA THR 13 80.731 -15.580 1.536 3 HB THR 13 HB THR 13 82.697 -14.225 0.319 4 HG1 THR 13 HG1 THR 13 83.903 -16.703 0.977 5 1HG2 THR 13 1HG2 THR 13 83.535 -15.602 2.812 6 2HG2 THR 13 2HG2 THR 13 82.121 -14.549 2.852 7 3HG2 THR 13 3HG2 THR 13 83.685 -13.908 2.347 8 H PHE 14 H PHE 14 82.508 -15.584 -1.514 9 HA PHE 14 HA PHE 14 81.819 -15.409 -3.692 10 1HB PHE 14 1HB PHE 14 79.562 -16.516 -2.556 11 2HB PHE 14 2HB PHE 14 78.951 -15.016 -3.245 12 HD1 PHE 14 HD1 PHE 14 79.054 -18.289 -3.911 13 HD2 PHE 14 HD2 PHE 14 80.335 -14.639 -5.686 14 HE1 PHE 14 HE1 PHE 14 78.981 -19.347 -6.131 15 HE2 PHE 14 HE2 PHE 14 80.264 -15.691 -7.909 16 HZ PHE 14 HZ PHE 14 79.587 -18.048 -8.134 17 H LEU 15 H LEU 15 80.070 -13.418 -1.343 18 HA LEU 15 HA LEU 15 79.922 -11.175 -3.144 19 1HB LEU 15 1HB LEU 15 78.927 -9.986 -1.269 20 2HB LEU 15 2HB LEU 15 78.167 -11.551 -1.484 21 HG LEU 15 HG LEU 15 79.976 -12.246 0.354 22 1HD1 LEU 15 1HD1 LEU 15 79.299 -9.615 1.495 23 2HD1 LEU 15 2HD1 LEU 15 80.547 -9.623 0.249 24 3HD1 LEU 15 3HD1 LEU 15 80.742 -10.608 1.700 25 1HD2 LEU 15 1HD2 LEU 15 78.222 -11.932 2.037 26 2HD2 LEU 15 2HD2 LEU 15 77.573 -12.579 0.529 27 3HD2 LEU 15 3HD2 LEU 15 77.352 -10.874 0.926 28 H THR 16 H THR 16 81.979 -12.283 -0.548 29 HA THR 16 HA THR 16 83.377 -9.830 -0.166 30 HB THR 16 HB THR 16 84.440 -12.593 0.422 31 HG1 THR 16 HG1 THR 16 82.712 -11.017 2.025 32 1HG2 THR 16 1HG2 THR 16 85.861 -11.659 1.914 33 2HG2 THR 16 2HG2 THR 16 84.795 -10.294 2.248 34 3HG2 THR 16 3HG2 THR 16 85.753 -10.323 0.768 35 H GLN 17 H GLN 17 83.656 -12.470 -2.416 36 HA GLN 17 HA GLN 17 86.315 -12.075 -3.226 37 1HB GLN 17 1HB GLN 17 85.888 -13.712 -4.719 38 2HB GLN 17 2HB GLN 17 84.355 -13.858 -3.876 39 1HG GLN 17 1HG GLN 17 83.207 -12.656 -5.530 40 2HG GLN 17 2HG GLN 17 84.702 -12.040 -6.237 41 1HE2 GLN 17 1HE2 GLN 17 82.476 -13.524 -7.449 42 2HE2 GLN 17 2HE2 GLN 17 83.182 -14.927 -8.168 43 H VAL 18 H VAL 18 83.278 -10.794 -4.595 44 HA VAL 18 HA VAL 18 84.503 -9.182 -6.556 45 HB VAL 18 HB VAL 18 81.963 -8.260 -5.291 46 1HG1 VAL 18 1HG1 VAL 18 82.818 -8.561 -8.165 47 2HG1 VAL 18 2HG1 VAL 18 82.942 -7.083 -7.212 48 3HG1 VAL 18 3HG1 VAL 18 81.357 -7.762 -7.583 49 1HG2 VAL 18 1HG2 VAL 18 81.353 -10.494 -5.292 50 2HG2 VAL 18 2HG2 VAL 18 82.340 -10.870 -6.705 51 3HG2 VAL 18 3HG2 VAL 18 80.831 -9.975 -6.895 52 H LYS 19 H LYS 19 83.737 -8.687 -3.175 53 HA LYS 19 HA LYS 19 84.111 -5.936 -2.990 54 1HB LYS 19 1HB LYS 19 83.717 -8.053 -1.200 55 2HB LYS 19 2HB LYS 19 85.240 -7.328 -0.707 56 1HG LYS 19 1HG LYS 19 83.259 -5.303 -1.247 57 2HG LYS 19 2HG LYS 19 82.677 -6.469 -0.057 58 1HD LYS 19 1HD LYS 19 84.420 -6.005 1.426 59 2HD LYS 19 2HD LYS 19 85.415 -5.267 0.169 60 1HE LYS 19 1HE LYS 19 82.831 -4.118 1.215 61 2HE LYS 19 2HE LYS 19 84.437 -3.626 1.751 62 1HZ LYS 19 1HZ LYS 19 84.694 -3.344 -0.877 63 2HZ LYS 19 2HZ LYS 19 84.167 -2.099 0.138 64 3HZ LYS 19 3HZ LYS 19 83.039 -3.019 -0.722 65 H GLU 20 H GLU 20 86.360 -8.514 -3.485 66 HA GLU 20 HA GLU 20 88.693 -6.979 -2.757 67 1HB GLU 20 1HB GLU 20 88.579 -9.500 -4.418 68 2HB GLU 20 2HB GLU 20 89.967 -8.860 -3.549 69 1HG GLU 20 1HG GLU 20 87.637 -9.362 -1.860 70 2HG GLU 20 2HG GLU 20 88.291 -10.802 -2.637 71 H SER 21 H SER 21 86.708 -7.407 -5.535 72 HA SER 21 HA SER 21 88.690 -6.267 -7.343 73 1HB SER 21 1HB SER 21 86.466 -8.042 -7.614 74 2HB SER 21 2HB SER 21 86.194 -6.629 -8.627 75 HG SER 21 HG SER 21 88.243 -6.994 -9.564 76 H LEU 22 H LEU 22 85.298 -5.653 -6.355 77 HA LEU 22 HA LEU 22 85.079 -3.161 -7.626 78 1HB LEU 22 1HB LEU 22 83.130 -2.791 -6.282 79 2HB LEU 22 2HB LEU 22 83.172 -4.479 -6.751 80 HG LEU 22 HG LEU 22 84.404 -4.644 -4.361 81 1HD1 LEU 22 1HD1 LEU 22 82.287 -2.590 -3.844 82 2HD1 LEU 22 2HD1 LEU 22 83.963 -2.125 -4.133 83 3HD1 LEU 22 3HD1 LEU 22 83.560 -3.170 -2.770 84 1HD2 LEU 22 1HD2 LEU 22 82.185 -5.307 -3.457 85 2HD2 LEU 22 2HD2 LEU 22 82.559 -6.031 -5.020 86 3HD2 LEU 22 3HD2 LEU 22 81.443 -4.669 -4.924 87 H SER 23 H SER 23 86.788 -4.105 -4.833 88 HA SER 23 HA SER 23 87.089 -1.308 -3.976 89 1HB SER 23 1HB SER 23 87.937 -3.728 -2.388 90 2HB SER 23 2HB SER 23 87.670 -2.083 -1.812 91 HG SER 23 HG SER 23 85.411 -2.458 -2.516 92 H SER 24 H SER 24 88.634 -3.697 -5.751 93 HA SER 24 HA SER 24 91.305 -3.419 -4.946 94 1HB SER 24 1HB SER 24 90.009 -4.939 -6.810 95 2HB SER 24 2HB SER 24 90.890 -3.807 -7.835 96 HG SER 24 HG SER 24 91.943 -5.880 -7.037 97 H TYR 25 H TYR 25 89.245 -1.236 -6.555 98 HA TYR 25 HA TYR 25 91.499 0.339 -7.561 99 1HB TYR 25 1HB TYR 25 88.653 0.088 -8.289 100 2HB TYR 25 2HB TYR 25 89.261 1.740 -8.282 101 HD1 TYR 25 HD1 TYR 25 90.576 -1.586 -9.391 102 HD2 TYR 25 HD2 TYR 25 89.865 2.494 -10.368 103 HE1 TYR 25 HE1 TYR 25 91.571 -1.951 -11.611 104 HE2 TYR 25 HE2 TYR 25 90.858 2.140 -12.590 105 HH TYR 25 HH TYR 25 92.787 -0.119 -13.405 106 H TRP 26 H TRP 26 89.414 0.059 -4.931 107 HA TRP 26 HA TRP 26 89.579 2.876 -4.191 108 1HB TRP 26 1HB TRP 26 87.468 1.611 -3.796 109 2HB TRP 26 2HB TRP 26 88.339 0.553 -2.690 110 HD1 TRP 26 HD1 TRP 26 89.468 1.911 -0.485 111 HE1 TRP 26 HE1 TRP 26 88.412 3.796 0.907 112 HE3 TRP 26 HE3 TRP 26 85.934 3.498 -3.820 113 HZ2 TRP 26 HZ2 TRP 26 86.352 5.708 0.631 114 HZ3 TRP 26 HZ3 TRP 26 84.460 5.360 -3.178 115 HH2 TRP 26 HH2 TRP 26 84.666 6.441 -0.998 116 H GLU 27 H GLU 27 91.043 -0.190 -3.577 117 HA GLU 27 HA GLU 27 92.430 0.707 -1.198 118 1HB GLU 27 1HB GLU 27 93.439 -1.498 -1.169 119 2HB GLU 27 2HB GLU 27 91.705 -1.647 -1.426 120 1HG GLU 27 1HG GLU 27 92.078 -1.987 -3.809 121 2HG GLU 27 2HG GLU 27 93.815 -1.812 -3.567 122 H SER 28 H SER 28 92.907 0.682 -4.592 123 HA SER 28 HA SER 28 95.776 0.872 -4.501 124 1HB SER 28 1HB SER 28 94.234 0.020 -6.439 125 2HB SER 28 2HB SER 28 94.118 1.728 -6.848 126 HG SER 28 HG SER 28 96.518 1.656 -6.762 127 H ALA 29 H ALA 29 93.069 3.063 -5.035 128 HA ALA 29 HA ALA 29 94.416 5.416 -5.562 129 1HB ALA 29 1HB ALA 29 92.442 6.496 -5.171 130 2HB ALA 29 2HB ALA 29 92.096 5.571 -3.709 131 3HB ALA 29 3HB ALA 29 91.839 4.844 -5.295 132 H LYS 30 H LYS 30 94.061 3.683 -2.566 133 HA LYS 30 HA LYS 30 95.157 5.835 -0.964 134 1HB LYS 30 1HB LYS 30 93.472 3.807 -0.354 135 2HB LYS 30 2HB LYS 30 94.999 3.097 0.152 136 1HG LYS 30 1HG LYS 30 95.294 5.419 1.356 137 2HG LYS 30 2HG LYS 30 93.532 5.436 1.250 138 1HD LYS 30 1HD LYS 30 93.645 4.297 3.189 139 2HD LYS 30 2HD LYS 30 93.967 2.914 2.142 140 1HE LYS 30 1HE LYS 30 96.132 2.783 2.761 141 2HE LYS 30 2HE LYS 30 96.318 4.534 2.854 142 1HZ LYS 30 1HZ LYS 30 95.493 2.639 4.915 143 2HZ LYS 30 2HZ LYS 30 94.749 4.158 4.932 144 3HZ LYS 30 3HZ LYS 30 96.433 4.041 5.045 145 H THR 31 H THR 31 96.220 2.916 -2.563 146 HA THR 31 HA THR 31 98.688 2.607 -1.218 147 HB THR 31 HB THR 31 98.145 1.825 -4.081 148 HG1 THR 31 HG1 THR 31 97.278 -0.098 -3.199 149 1HG2 THR 31 1HG2 THR 31 100.416 1.476 -2.723 150 2HG2 THR 31 2HG2 THR 31 99.815 0.328 -3.920 151 3HG2 THR 31 3HG2 THR 31 99.540 0.036 -2.202 152 H ALA 32 H ALA 32 97.638 4.607 -3.884 153 HA ALA 32 HA ALA 32 100.382 5.517 -4.357 154 1HB ALA 32 1HB ALA 32 99.400 5.075 -6.408 155 2HB ALA 32 2HB ALA 32 99.186 6.818 -6.246 156 3HB ALA 32 3HB ALA 32 97.838 5.730 -5.916 157 H ALA 33 H ALA 33 98.184 6.252 -2.167 158 HA ALA 33 HA ALA 33 98.197 9.146 -2.481 159 1HB ALA 33 1HB ALA 33 96.145 8.644 -1.650 160 2HB ALA 33 2HB ALA 33 96.999 8.807 -0.115 161 3HB ALA 33 3HB ALA 33 96.718 7.207 -0.803 162 H GLN 34 H GLN 34 99.273 6.725 -0.105 163 HA GLN 34 HA GLN 34 100.579 8.486 1.628 164 1HB GLN 34 1HB GLN 34 100.045 5.898 1.783 165 2HB GLN 34 2HB GLN 34 101.692 5.753 1.183 166 1HG GLN 34 1HG GLN 34 102.542 6.972 3.070 167 2HG GLN 34 2HG GLN 34 100.907 7.301 3.641 168 1HE2 GLN 34 1HE2 GLN 34 99.585 5.119 3.737 169 2HE2 GLN 34 2HE2 GLN 34 100.370 3.865 4.630 170 H ASN 35 H ASN 35 101.463 7.324 -1.482 171 HA ASN 35 HA ASN 35 104.279 7.787 -1.245 172 1HB ASN 35 1HB ASN 35 102.927 6.293 -2.938 173 2HB ASN 35 2HB ASN 35 102.852 7.778 -3.876 174 1HD2 ASN 35 1HD2 ASN 35 104.064 6.429 -5.411 175 2HD2 ASN 35 2HD2 ASN 35 105.785 6.372 -5.269 176 H LEU 36 H LEU 36 101.814 9.391 -3.257 177 HA LEU 36 HA LEU 36 103.344 11.641 -3.884 178 1HB LEU 36 1HB LEU 36 101.270 12.689 -4.566 179 2HB LEU 36 2HB LEU 36 101.295 11.012 -5.077 180 HG LEU 36 HG LEU 36 99.982 10.682 -2.783 181 1HD1 LEU 36 1HD1 LEU 36 98.314 12.774 -2.951 182 2HD1 LEU 36 2HD1 LEU 36 99.831 13.570 -3.372 183 3HD1 LEU 36 3HD1 LEU 36 99.681 12.711 -1.840 184 1HD2 LEU 36 1HD2 LEU 36 99.346 10.319 -5.292 185 2HD2 LEU 36 2HD2 LEU 36 98.401 11.789 -5.058 186 3HD2 LEU 36 3HD2 LEU 36 98.090 10.374 -4.055 187 H TYR 37 H TYR 37 101.295 10.958 -1.117 188 HA TYR 37 HA TYR 37 101.100 13.531 -0.050 189 1HB TYR 37 1HB TYR 37 100.810 10.778 0.984 190 2HB TYR 37 2HB TYR 37 101.136 12.015 2.192 191 HD1 TYR 37 HD1 TYR 37 99.662 14.305 1.484 192 HD2 TYR 37 HD2 TYR 37 98.577 10.232 0.904 193 HE1 TYR 37 HE1 TYR 37 97.287 14.945 1.477 194 HE2 TYR 37 HE2 TYR 37 96.199 10.861 0.894 195 HH TYR 37 HH TYR 37 94.863 13.026 2.007 196 H GLU 38 H GLU 38 103.797 11.469 -0.310 197 HA GLU 38 HA GLU 38 105.298 12.423 1.906 198 1HB GLU 38 1HB GLU 38 106.178 11.071 -0.648 199 2HB GLU 38 2HB GLU 38 107.231 11.386 0.724 200 1HG GLU 38 1HG GLU 38 104.774 9.960 1.410 201 2HG GLU 38 2HG GLU 38 105.836 9.090 0.304 202 H LYS 39 H LYS 39 104.801 13.525 -1.364 203 HA LYS 39 HA LYS 39 106.756 15.680 -0.899 204 1HB LYS 39 1HB LYS 39 106.419 13.919 -3.109 205 2HB LYS 39 2HB LYS 39 106.013 15.542 -3.650 206 1HG LYS 39 1HG LYS 39 108.135 16.317 -3.380 207 2HG LYS 39 2HG LYS 39 108.495 15.196 -2.065 208 1HD LYS 39 1HD LYS 39 108.209 13.422 -4.026 209 2HD LYS 39 2HD LYS 39 108.684 14.813 -5.003 210 1HE LYS 39 1HE LYS 39 110.738 13.915 -4.531 211 2HE LYS 39 2HE LYS 39 110.564 15.043 -3.187 212 1HZ LYS 39 1HZ LYS 39 109.679 12.241 -2.925 213 2HZ LYS 39 2HZ LYS 39 110.105 13.337 -1.710 214 3HZ LYS 39 3HZ LYS 39 111.302 12.657 -2.692 215 H THR 40 H THR 40 103.851 15.511 -0.129 216 HA THR 40 HA THR 40 102.847 17.780 -1.707 217 HB THR 40 HB THR 40 100.611 17.188 -0.893 218 HG1 THR 40 HG1 THR 40 102.015 15.148 0.464 219 1HG2 THR 40 1HG2 THR 40 100.943 14.567 -1.729 220 2HG2 THR 40 2HG2 THR 40 102.200 15.472 -2.571 221 3HG2 THR 40 3HG2 THR 40 100.511 15.956 -2.725 222 H TYR 41 H TYR 41 102.069 16.682 1.566 223 HA TYR 41 HA TYR 41 102.921 19.311 2.579 224 1HB TYR 41 1HB TYR 41 100.361 18.929 2.235 225 2HB TYR 41 2HB TYR 41 100.495 17.960 3.699 226 HD1 TYR 41 HD1 TYR 41 100.268 18.997 5.761 227 HD2 TYR 41 HD2 TYR 41 101.351 21.347 2.384 228 HE1 TYR 41 HE1 TYR 41 100.092 21.033 7.128 229 HE2 TYR 41 HE2 TYR 41 101.177 23.390 3.742 230 HH TYR 41 HH TYR 41 99.609 23.621 6.525 231 H LEU 42 H LEU 42 104.297 16.770 2.681 232 HA LEU 42 HA LEU 42 105.463 15.467 4.146 233 1HB LEU 42 1HB LEU 42 104.839 17.907 5.757 234 2HB LEU 42 2HB LEU 42 105.604 16.535 6.537 235 HG LEU 42 HG LEU 42 107.276 16.761 4.485 236 1HD1 LEU 42 1HD1 LEU 42 105.734 18.768 3.756 237 2HD1 LEU 42 2HD1 LEU 42 107.483 18.830 3.542 238 3HD1 LEU 42 3HD1 LEU 42 106.733 19.652 4.909 239 1HD2 LEU 42 1HD2 LEU 42 107.454 18.671 6.803 240 2HD2 LEU 42 2HD2 LEU 42 108.773 17.891 5.928 241 3HD2 LEU 42 3HD2 LEU 42 107.713 16.934 6.963 242 HA PRO 43 HA PRO 43 101.949 13.352 6.053 243 1HB PRO 43 1HB PRO 43 102.602 10.882 5.304 244 2HB PRO 43 2HB PRO 43 101.979 12.047 4.130 245 1HG PRO 43 1HG PRO 43 104.783 11.137 4.594 246 2HG PRO 43 2HG PRO 43 103.964 11.514 3.070 247 1HD PRO 43 1HD PRO 43 105.673 13.217 4.485 248 2HD PRO 43 2HD PRO 43 104.557 13.704 3.198 249 H ALA 44 H ALA 44 105.214 13.452 6.805 250 HA ALA 44 HA ALA 44 106.390 12.959 8.691 251 1HB ALA 44 1HB ALA 44 105.282 12.988 10.652 252 2HB ALA 44 2HB ALA 44 104.154 11.727 10.155 253 3HB ALA 44 3HB ALA 44 103.898 13.392 9.637 254 H VAL 45 H VAL 45 105.397 10.850 6.566 255 HA VAL 45 HA VAL 45 105.708 8.370 7.982 256 HB VAL 45 HB VAL 45 106.183 8.575 5.041 257 1HG1 VAL 45 1HG1 VAL 45 105.476 6.523 6.986 258 2HG1 VAL 45 2HG1 VAL 45 106.265 6.378 5.415 259 3HG1 VAL 45 3HG1 VAL 45 104.507 6.470 5.513 260 1HG2 VAL 45 1HG2 VAL 45 104.152 9.338 4.527 261 2HG2 VAL 45 2HG2 VAL 45 103.889 9.684 6.235 262 3HG2 VAL 45 3HG2 VAL 45 103.394 8.132 5.565 263 H ASP 46 H ASP 46 107.751 10.631 6.283 264 HA ASP 46 HA ASP 46 110.039 9.006 6.012 265 1HB ASP 46 1HB ASP 46 109.538 11.342 4.992 266 2HB ASP 46 2HB ASP 46 110.177 11.972 6.507 267 H GLU 47 H GLU 47 108.585 10.660 8.683 268 HA GLU 47 HA GLU 47 110.943 10.133 10.361 269 1HB GLU 47 1HB GLU 47 108.607 12.009 10.651 270 2HB GLU 47 2HB GLU 47 109.622 11.591 12.025 271 1HG GLU 47 1HG GLU 47 110.969 12.534 9.560 272 2HG GLU 47 2HG GLU 47 110.077 13.717 10.517 273 H LYS 48 H LYS 48 107.744 9.099 9.685 274 HA LYS 48 HA LYS 48 107.469 7.734 12.250 275 1HB LYS 48 1HB LYS 48 105.609 8.254 9.954 276 2HB LYS 48 2HB LYS 48 105.237 7.008 11.135 277 1HG LYS 48 1HG LYS 48 105.814 9.093 12.762 278 2HG LYS 48 2HG LYS 48 105.120 9.928 11.371 279 1HD LYS 48 1HD LYS 48 103.731 7.529 12.473 280 2HD LYS 48 2HD LYS 48 103.586 9.071 13.318 281 1HE LYS 48 1HE LYS 48 103.183 9.190 10.407 282 2HE LYS 48 2HE LYS 48 101.969 8.270 11.294 283 1HZ LYS 48 1HZ LYS 48 101.789 10.263 12.790 284 2HZ LYS 48 2HZ LYS 48 101.209 10.481 11.216 285 3HZ LYS 48 3HZ LYS 48 102.715 11.114 11.656 286 H LEU 49 H LEU 49 107.534 6.958 8.768 287 HA LEU 49 HA LEU 49 107.413 4.156 9.124 288 1HB LEU 49 1HB LEU 49 107.394 5.876 6.975 289 2HB LEU 49 2HB LEU 49 108.918 5.034 6.778 290 HG LEU 49 HG LEU 49 107.070 3.978 5.531 291 1HD1 LEU 49 1HD1 LEU 49 109.065 2.759 6.758 292 2HD1 LEU 49 2HD1 LEU 49 107.809 1.856 5.911 293 3HD1 LEU 49 3HD1 LEU 49 107.742 2.026 7.665 294 1HD2 LEU 49 1HD2 LEU 49 105.485 4.576 7.598 295 2HD2 LEU 49 2HD2 LEU 49 105.875 2.907 8.016 296 3HD2 LEU 49 3HD2 LEU 49 105.127 3.276 6.462 297 H ARG 50 H ARG 50 109.943 6.361 9.716 298 HA ARG 50 HA ARG 50 111.977 4.257 9.503 299 1HB ARG 50 1HB ARG 50 112.267 6.582 8.449 300 2HB ARG 50 2HB ARG 50 112.515 7.158 10.092 301 1HG ARG 50 1HG ARG 50 114.663 6.795 9.254 302 2HG ARG 50 2HG ARG 50 114.335 5.387 10.266 303 1HD ARG 50 1HD ARG 50 113.436 4.935 7.566 304 2HD ARG 50 2HD ARG 50 115.134 5.411 7.584 305 HE ARG 50 HE ARG 50 114.024 2.941 8.514 306 1HH1 ARG 50 1HH1 ARG 50 116.663 5.189 8.913 307 2HH1 ARG 50 2HH1 ARG 50 117.749 3.995 9.542 308 1HH2 ARG 50 1HH2 ARG 50 115.449 1.370 9.342 309 2HH2 ARG 50 2HH2 ARG 50 117.061 1.827 9.785 310 H ASP 51 H ASP 51 110.294 6.270 11.796 311 HA ASP 51 HA ASP 51 112.043 5.362 13.963 312 1HB ASP 51 1HB ASP 51 111.071 7.823 13.538 313 2HB ASP 51 2HB ASP 51 109.755 7.179 14.515 314 H LEU 52 H LEU 52 108.907 4.842 12.614 315 HA LEU 52 HA LEU 52 107.899 3.533 15.002 316 1HB LEU 52 1HB LEU 52 106.575 4.938 13.222 317 2HB LEU 52 2HB LEU 52 106.525 3.417 12.352 318 HG LEU 52 HG LEU 52 105.473 2.378 14.380 319 1HD1 LEU 52 1HD1 LEU 52 104.976 3.537 16.250 320 2HD1 LEU 52 2HD1 LEU 52 104.673 5.036 15.372 321 3HD1 LEU 52 3HD1 LEU 52 106.329 4.540 15.723 322 1HD2 LEU 52 1HD2 LEU 52 103.378 2.903 13.653 323 2HD2 LEU 52 2HD2 LEU 52 104.317 3.548 12.307 324 3HD2 LEU 52 3HD2 LEU 52 103.720 4.631 13.565 325 H TYR 53 H TYR 53 110.199 2.577 13.130 326 HA TYR 53 HA TYR 53 109.172 -0.127 12.635 327 1HB TYR 53 1HB TYR 53 110.735 1.614 11.054 328 2HB TYR 53 2HB TYR 53 111.805 0.312 11.561 329 HD1 TYR 53 HD1 TYR 53 111.479 -1.941 10.762 330 HD2 TYR 53 HD2 TYR 53 108.771 1.149 9.666 331 HE1 TYR 53 HE1 TYR 53 110.539 -3.394 9.014 332 HE2 TYR 53 HE2 TYR 53 107.821 -0.294 7.917 333 HH TYR 53 HH TYR 53 109.264 -2.924 6.719 334 H SER 54 H SER 54 111.982 1.624 13.901 335 HA SER 54 HA SER 54 113.524 1.097 15.482 336 1HB SER 54 1HB SER 54 111.411 -0.857 16.418 337 2HB SER 54 2HB SER 54 112.806 -0.324 17.355 338 HG SER 54 HG SER 54 111.923 1.638 17.590 339 H LYS 55 H LYS 55 114.226 0.057 13.197 340 HA LYS 55 HA LYS 55 115.475 -1.552 12.174 341 1HB LYS 55 1HB LYS 55 115.974 -1.990 15.075 342 2HB LYS 55 2HB LYS 55 116.518 -3.236 13.959 343 1HG LYS 55 1HG LYS 55 117.828 -1.574 12.738 344 2HG LYS 55 2HG LYS 55 117.281 -0.323 13.858 345 1HD LYS 55 1HD LYS 55 118.633 -1.045 15.537 346 2HD LYS 55 2HD LYS 55 118.520 -2.736 15.046 347 1HE LYS 55 1HE LYS 55 119.953 -0.822 13.272 348 2HE LYS 55 2HE LYS 55 120.752 -1.364 14.748 349 1HZ LYS 55 1HZ LYS 55 120.060 -3.696 13.887 350 2HZ LYS 55 2HZ LYS 55 121.424 -2.935 13.238 351 3HZ LYS 55 3HZ LYS 55 119.963 -2.924 12.385 352 H SER 56 H SER 56 112.555 -2.055 12.938 353 HA SER 56 HA SER 56 112.050 -4.699 13.536 354 1HB SER 56 1HB SER 56 110.582 -2.515 12.441 355 2HB SER 56 2HB SER 56 110.246 -3.937 11.454 356 HG SER 56 HG SER 56 110.054 -3.833 14.285 357 H THR 57 H THR 57 112.855 -3.268 10.415 358 HA THR 57 HA THR 57 113.831 -5.836 9.485 359 HB THR 57 HB THR 57 111.891 -4.302 7.771 360 HG1 THR 57 HG1 THR 57 111.331 -6.584 9.355 361 1HG2 THR 57 1HG2 THR 57 113.615 -6.204 6.997 362 2HG2 THR 57 2HG2 THR 57 112.038 -5.945 6.251 363 3HG2 THR 57 3HG2 THR 57 112.241 -7.203 7.471 364 H ALA 58 H ALA 58 114.763 -3.039 10.152 365 HA ALA 58 HA ALA 58 115.696 -1.951 7.658 366 1HB ALA 58 1HB ALA 58 116.844 -1.227 10.331 367 2HB ALA 58 2HB ALA 58 115.223 -0.698 9.880 368 3HB ALA 58 3HB ALA 58 116.610 -0.214 8.904 369 H ALA 59 H ALA 59 117.032 -3.819 10.332 370 HA ALA 59 HA ALA 59 119.686 -3.922 9.321 371 1HB ALA 59 1HB ALA 59 118.624 -6.082 11.077 372 2HB ALA 59 2HB ALA 59 118.718 -4.441 11.714 373 3HB ALA 59 3HB ALA 59 120.175 -5.245 11.131 374 H MET 60 H MET 60 116.771 -5.718 8.701 375 HA MET 60 HA MET 60 117.979 -8.027 7.570 376 1HB MET 60 1HB MET 60 115.286 -6.926 7.848 377 2HB MET 60 2HB MET 60 115.518 -7.772 6.324 378 1HG MET 60 1HG MET 60 114.942 -9.573 7.515 379 2HG MET 60 2HG MET 60 116.624 -9.536 8.039 380 1HE MET 60 1HE MET 60 114.426 -10.548 11.205 381 2HE MET 60 2HE MET 60 115.817 -11.037 10.237 382 3HE MET 60 3HE MET 60 114.211 -10.978 9.509 383 H SER 61 H SER 61 117.153 -4.863 6.353 384 HA SER 61 HA SER 61 117.757 -5.639 3.605 385 1HB SER 61 1HB SER 61 117.110 -3.281 3.078 386 2HB SER 61 2HB SER 61 115.835 -4.196 3.884 387 HG SER 61 HG SER 61 116.091 -3.026 5.666 388 H THR 62 H THR 62 118.677 -2.775 5.493 389 HA THR 62 HA THR 62 120.620 -1.638 5.722 390 HB THR 62 HB THR 62 121.780 -4.303 5.076 391 HG1 THR 62 HG1 THR 62 121.628 -4.773 7.188 392 1HG2 THR 62 1HG2 THR 62 123.531 -3.283 6.815 393 2HG2 THR 62 2HG2 THR 62 123.014 -1.805 6.005 394 3HG2 THR 62 3HG2 THR 62 123.700 -3.130 5.066 395 H TYR 63 H TYR 63 119.482 -2.620 2.882 396 HA TYR 63 HA TYR 63 121.377 -2.707 0.965 397 1HB TYR 63 1HB TYR 63 118.673 -1.494 1.077 398 2HB TYR 63 2HB TYR 63 119.692 -1.070 -0.288 399 HD1 TYR 63 HD1 TYR 63 120.656 -2.968 -1.697 400 HD2 TYR 63 HD2 TYR 63 117.507 -3.529 1.109 401 HE1 TYR 63 HE1 TYR 63 120.040 -5.069 -2.817 402 HE2 TYR 63 HE2 TYR 63 116.883 -5.633 -0.002 403 HH TYR 63 HH TYR 63 117.835 -7.308 -1.441 404 H THR 64 H THR 64 120.536 0.036 2.935 405 HA THR 64 HA THR 64 121.609 2.144 1.515 406 HB THR 64 HB THR 64 122.092 1.866 4.470 407 HG1 THR 64 HG1 THR 64 120.052 1.554 4.744 408 1HG2 THR 64 1HG2 THR 64 122.343 4.000 2.722 409 2HG2 THR 64 2HG2 THR 64 122.299 4.068 4.483 410 3HG2 THR 64 3HG2 THR 64 120.814 4.282 3.557 411 H GLY 65 H GLY 65 123.223 -0.515 3.080 412 1HA GLY 65 1HA GLY 65 125.834 0.776 2.871 413 2HA GLY 65 2HA GLY 65 125.501 -0.798 3.577 414 H ILE 66 H ILE 66 123.833 -1.223 0.937 415 HA ILE 66 HA ILE 66 126.164 -2.138 -0.610 416 HB ILE 66 HB ILE 66 123.358 -3.160 -0.922 417 1HG1 ILE 66 1HG1 ILE 66 125.018 -5.036 0.462 418 2HG1 ILE 66 2HG1 ILE 66 125.046 -3.513 1.343 419 1HG2 ILE 66 1HG2 ILE 66 125.577 -3.509 -2.473 420 2HG2 ILE 66 2HG2 ILE 66 124.198 -4.607 -2.408 421 3HG2 ILE 66 3HG2 ILE 66 125.629 -4.928 -1.428 422 1HD1 ILE 66 1HD1 ILE 66 122.410 -4.515 0.454 423 2HD1 ILE 66 2HD1 ILE 66 122.863 -3.654 1.924 424 3HD1 ILE 66 3HD1 ILE 66 123.214 -5.375 1.767 425 H PHE 67 H PHE 67 123.563 0.065 -0.638 426 HA PHE 67 HA PHE 67 122.660 0.272 -3.183 427 1HB PHE 67 1HB PHE 67 123.096 2.139 -0.993 428 2HB PHE 67 2HB PHE 67 123.235 2.925 -2.562 429 HD1 PHE 67 HD1 PHE 67 121.003 1.310 -0.196 430 HD2 PHE 67 HD2 PHE 67 121.331 2.980 -4.097 431 HE1 PHE 67 HE1 PHE 67 118.550 1.413 -0.353 432 HE2 PHE 67 HE2 PHE 67 118.878 3.087 -4.261 433 HZ PHE 67 HZ PHE 67 117.485 2.303 -2.387 434 H THR 68 H THR 68 125.884 1.008 -2.066 435 HA THR 68 HA THR 68 126.638 1.882 -4.765 436 HB THR 68 HB THR 68 128.547 2.031 -2.480 437 HG1 THR 68 HG1 THR 68 126.426 3.877 -2.844 438 1HG2 THR 68 1HG2 THR 68 128.443 4.459 -3.797 439 2HG2 THR 68 2HG2 THR 68 128.242 3.258 -5.073 440 3HG2 THR 68 3HG2 THR 68 129.648 3.188 -4.011 441 H ASP 69 H ASP 69 127.055 -0.624 -2.407 442 HA ASP 69 HA ASP 69 129.406 -1.780 -3.529 443 1HB ASP 69 1HB ASP 69 128.075 -2.140 -1.193 444 2HB ASP 69 2HB ASP 69 127.528 -3.554 -2.088 445 H GLN 70 H GLN 70 125.946 -2.246 -3.980 446 HA GLN 70 HA GLN 70 126.102 -4.554 -5.598 447 1HB GLN 70 1HB GLN 70 124.056 -3.313 -4.452 448 2HB GLN 70 2HB GLN 70 123.935 -2.547 -6.029 449 1HG GLN 70 1HG GLN 70 123.883 -4.841 -7.035 450 2HG GLN 70 2HG GLN 70 123.750 -5.477 -5.395 451 1HE2 GLN 70 1HE2 GLN 70 121.771 -6.252 -6.792 452 2HE2 GLN 70 2HE2 GLN 70 120.334 -5.323 -6.555 453 H VAL 71 H VAL 71 126.456 -1.142 -6.251 454 HA VAL 71 HA VAL 71 126.458 -1.541 -9.131 455 HB VAL 71 HB VAL 71 126.915 0.941 -7.471 456 1HG1 VAL 71 1HG1 VAL 71 126.443 2.079 -9.711 457 2HG1 VAL 71 2HG1 VAL 71 126.802 0.516 -10.443 458 3HG1 VAL 71 3HG1 VAL 71 128.033 1.348 -9.495 459 1HG2 VAL 71 1HG2 VAL 71 124.518 0.215 -9.142 460 2HG2 VAL 71 2HG2 VAL 71 124.687 1.568 -8.022 461 3HG2 VAL 71 3HG2 VAL 71 124.626 -0.084 -7.407 462 H LEU 72 H LEU 72 128.706 -0.940 -6.499 463 HA LEU 72 HA LEU 72 130.977 -0.264 -7.985 464 1HB LEU 72 1HB LEU 72 130.372 -1.058 -5.266 465 2HB LEU 72 2HB LEU 72 131.890 -1.752 -5.799 466 HG LEU 72 HG LEU 72 132.443 0.681 -6.560 467 1HD1 LEU 72 1HD1 LEU 72 130.118 1.481 -6.112 468 2HD1 LEU 72 2HD1 LEU 72 131.384 2.420 -5.320 469 3HD1 LEU 72 3HD1 LEU 72 130.435 1.259 -4.392 470 1HD2 LEU 72 1HD2 LEU 72 133.532 -0.637 -4.743 471 2HD2 LEU 72 2HD2 LEU 72 132.356 0.041 -3.617 472 3HD2 LEU 72 3HD2 LEU 72 133.490 1.102 -4.453 473 H SER 73 H SER 73 129.508 -3.360 -7.295 474 HA SER 73 HA SER 73 131.735 -4.912 -8.224 475 1HB SER 73 1HB SER 73 128.852 -5.681 -7.716 476 2HB SER 73 2HB SER 73 130.146 -6.820 -8.090 477 HG SER 73 HG SER 73 130.894 -6.629 -6.122 478 H VAL 74 H VAL 74 128.956 -3.417 -9.654 479 HA VAL 74 HA VAL 74 128.661 -4.935 -11.976 480 HB VAL 74 HB VAL 74 128.247 -1.964 -11.612 481 1HG1 VAL 74 1HG1 VAL 74 126.586 -2.356 -13.524 482 2HG1 VAL 74 2HG1 VAL 74 127.486 -3.842 -13.828 483 3HG1 VAL 74 3HG1 VAL 74 128.301 -2.281 -13.933 484 1HG2 VAL 74 1HG2 VAL 74 126.120 -4.076 -11.611 485 2HG2 VAL 74 2HG2 VAL 74 126.049 -2.426 -10.989 486 3HG2 VAL 74 3HG2 VAL 74 126.990 -3.651 -10.137 487 H LEU 75 H LEU 75 131.016 -2.508 -11.102 488 HA LEU 75 HA LEU 75 132.035 -1.853 -13.611 489 1HB LEU 75 1HB LEU 75 133.219 -1.963 -10.863 490 2HB LEU 75 2HB LEU 75 134.252 -1.627 -12.240 491 HG LEU 75 HG LEU 75 131.787 0.011 -11.955 492 1HD1 LEU 75 1HD1 LEU 75 132.309 0.425 -9.794 493 2HD1 LEU 75 2HD1 LEU 75 133.466 1.530 -10.534 494 3HD1 LEU 75 3HD1 LEU 75 133.992 -0.062 -9.989 495 1HD2 LEU 75 1HD2 LEU 75 132.983 1.582 -13.137 496 2HD2 LEU 75 2HD2 LEU 75 133.662 0.084 -13.772 497 3HD2 LEU 75 3HD2 LEU 75 134.539 1.000 -12.546 498 H LYS 76 H LYS 76 132.275 -4.766 -11.778 499 HA LYS 76 HA LYS 76 133.383 -6.208 -13.939 500 1HB LYS 76 1HB LYS 76 135.364 -4.897 -12.726 501 2HB LYS 76 2HB LYS 76 135.272 -6.273 -11.635 502 1HG LYS 76 1HG LYS 76 136.117 -7.709 -13.153 503 2HG LYS 76 2HG LYS 76 135.330 -6.906 -14.513 504 1HD LYS 76 1HD LYS 76 137.599 -6.484 -14.858 505 2HD LYS 76 2HD LYS 76 137.010 -5.005 -14.095 506 1HE LYS 76 1HE LYS 76 138.067 -7.176 -12.356 507 2HE LYS 76 2HE LYS 76 139.218 -6.206 -13.276 508 1HZ LYS 76 1HZ LYS 76 139.076 -4.891 -11.472 509 2HZ LYS 76 2HZ LYS 76 137.547 -5.456 -11.020 510 3HZ LYS 76 3HZ LYS 76 137.692 -4.296 -12.242 511 H GLY 77 H GLY 77 132.212 -7.965 -13.777 512 1HA GLY 77 1HA GLY 77 132.004 -10.129 -12.664 513 2HA GLY 77 2HA GLY 77 131.982 -9.263 -11.135 514 H GLU 78 H GLU 78 130.248 -7.322 -13.031 515 HA GLU 78 HA GLU 78 128.033 -6.773 -12.998 516 1HB GLU 78 1HB GLU 78 128.262 -8.304 -14.926 517 2HB GLU 78 2HB GLU 78 127.803 -9.646 -13.890 518 1HG GLU 78 1HG GLU 78 125.685 -9.262 -14.388 519 2HG GLU 78 2HG GLU 78 125.806 -7.700 -13.580 520 H GLU 79 H GLU 79 129.055 -7.785 -10.471 521 HA GLU 79 HA GLU 79 126.808 -9.283 -9.363 522 1HB GLU 79 1HB GLU 79 129.598 -8.737 -8.549 523 2HB GLU 79 2HB GLU 79 128.430 -8.836 -7.239 524 1HG GLU 79 1HG GLU 79 129.013 -10.946 -9.302 525 2HG GLU 79 2HG GLU 79 129.434 -10.987 -7.590 Start of MODEL 3 1 H THR 13 H THR 13 82.832 -13.815 -14.141 2 HA THR 13 HA THR 13 83.598 -11.996 -15.579 3 HB THR 13 HB THR 13 80.731 -12.111 -14.620 4 HG1 THR 13 HG1 THR 13 82.023 -13.400 -16.789 5 1HG2 THR 13 1HG2 THR 13 80.822 -11.572 -17.373 6 2HG2 THR 13 2HG2 THR 13 81.867 -10.386 -16.588 7 3HG2 THR 13 3HG2 THR 13 80.185 -10.552 -16.083 8 H PHE 14 H PHE 14 81.007 -10.444 -13.777 9 HA PHE 14 HA PHE 14 82.393 -7.939 -13.832 10 1HB PHE 14 1HB PHE 14 79.787 -8.539 -13.872 11 2HB PHE 14 2HB PHE 14 79.971 -8.295 -12.138 12 HD1 PHE 14 HD1 PHE 14 81.109 -6.609 -15.273 13 HD2 PHE 14 HD2 PHE 14 79.415 -6.209 -11.390 14 HE1 PHE 14 HE1 PHE 14 80.936 -4.177 -15.604 15 HE2 PHE 14 HE2 PHE 14 79.238 -3.776 -11.714 16 HZ PHE 14 HZ PHE 14 79.998 -2.757 -13.823 17 H LEU 15 H LEU 15 82.039 -10.537 -11.592 18 HA LEU 15 HA LEU 15 82.800 -8.991 -9.275 19 1HB LEU 15 1HB LEU 15 82.806 -11.139 -8.107 20 2HB LEU 15 2HB LEU 15 81.320 -10.896 -9.005 21 HG LEU 15 HG LEU 15 82.666 -12.285 -10.846 22 1HD1 LEU 15 1HD1 LEU 15 84.313 -13.635 -10.104 23 2HD1 LEU 15 2HD1 LEU 15 83.591 -13.816 -8.504 24 3HD1 LEU 15 3HD1 LEU 15 84.515 -12.366 -8.896 25 1HD2 LEU 15 1HD2 LEU 15 80.646 -13.191 -10.337 26 2HD2 LEU 15 2HD2 LEU 15 80.904 -13.069 -8.597 27 3HD2 LEU 15 3HD2 LEU 15 81.675 -14.363 -9.514 28 H THR 16 H THR 16 84.359 -10.956 -11.697 29 HA THR 16 HA THR 16 86.794 -11.403 -10.319 30 HB THR 16 HB THR 16 86.417 -11.235 -13.311 31 HG1 THR 16 HG1 THR 16 85.962 -13.479 -13.148 32 1HG2 THR 16 1HG2 THR 16 88.730 -11.454 -12.725 33 2HG2 THR 16 2HG2 THR 16 88.144 -12.995 -13.350 34 3HG2 THR 16 3HG2 THR 16 88.364 -12.775 -11.615 35 H GLN 17 H GLN 17 85.606 -8.782 -12.332 36 HA GLN 17 HA GLN 17 88.057 -7.476 -12.742 37 1HB GLN 17 1HB GLN 17 86.820 -5.929 -13.820 38 2HB GLN 17 2HB GLN 17 85.495 -7.055 -13.579 39 1HG GLN 17 1HG GLN 17 84.640 -5.835 -11.768 40 2HG GLN 17 2HG GLN 17 86.129 -4.903 -11.587 41 1HE2 GLN 17 1HE2 GLN 17 86.081 -2.926 -12.362 42 2HE2 GLN 17 2HE2 GLN 17 85.032 -2.339 -13.603 43 H VAL 18 H VAL 18 85.558 -6.967 -10.251 44 HA VAL 18 HA VAL 18 86.938 -4.973 -8.829 45 HB VAL 18 HB VAL 18 85.232 -6.908 -7.332 46 1HG1 VAL 18 1HG1 VAL 18 85.770 -3.966 -7.286 47 2HG1 VAL 18 2HG1 VAL 18 85.951 -5.155 -5.996 48 3HG1 VAL 18 3HG1 VAL 18 84.342 -4.637 -6.498 49 1HG2 VAL 18 1HG2 VAL 18 84.340 -5.252 -9.634 50 2HG2 VAL 18 2HG2 VAL 18 83.292 -5.333 -8.218 51 3HG2 VAL 18 3HG2 VAL 18 83.744 -6.813 -9.065 52 H LYS 19 H LYS 19 87.049 -8.477 -8.728 53 HA LYS 19 HA LYS 19 88.519 -8.812 -6.377 54 1HB LYS 19 1HB LYS 19 88.072 -10.409 -8.843 55 2HB LYS 19 2HB LYS 19 89.460 -10.852 -7.859 56 1HG LYS 19 1HG LYS 19 87.825 -10.905 -5.897 57 2HG LYS 19 2HG LYS 19 86.557 -10.888 -7.123 58 1HD LYS 19 1HD LYS 19 86.831 -13.149 -6.825 59 2HD LYS 19 2HD LYS 19 87.960 -12.855 -8.148 60 1HE LYS 19 1HE LYS 19 89.073 -12.517 -5.446 61 2HE LYS 19 2HE LYS 19 88.588 -14.161 -5.859 62 1HZ LYS 19 1HZ LYS 19 89.940 -13.907 -7.919 63 2HZ LYS 19 2HZ LYS 19 90.843 -13.894 -6.489 64 3HZ LYS 19 3HZ LYS 19 90.528 -12.444 -7.303 65 H GLU 20 H GLU 20 89.420 -7.646 -9.509 66 HA GLU 20 HA GLU 20 92.268 -7.939 -9.023 67 1HB GLU 20 1HB GLU 20 90.585 -6.905 -11.263 68 2HB GLU 20 2HB GLU 20 92.261 -6.386 -11.160 69 1HG GLU 20 1HG GLU 20 92.125 -8.270 -12.622 70 2HG GLU 20 2HG GLU 20 92.951 -8.761 -11.143 71 H SER 21 H SER 21 89.985 -5.959 -7.805 72 HA SER 21 HA SER 21 91.833 -3.688 -7.548 73 1HB SER 21 1HB SER 21 89.179 -3.744 -8.531 74 2HB SER 21 2HB SER 21 89.132 -2.953 -6.960 75 HG SER 21 HG SER 21 89.896 -1.268 -7.939 76 H LEU 22 H LEU 22 89.052 -5.304 -5.974 77 HA LEU 22 HA LEU 22 89.410 -4.219 -3.431 78 1HB LEU 22 1HB LEU 22 88.059 -6.026 -2.604 79 2HB LEU 22 2HB LEU 22 87.426 -5.511 -4.155 80 HG LEU 22 HG LEU 22 89.009 -7.501 -4.998 81 1HD1 LEU 22 1HD1 LEU 22 89.872 -8.210 -2.920 82 2HD1 LEU 22 2HD1 LEU 22 88.653 -9.401 -3.372 83 3HD1 LEU 22 3HD1 LEU 22 88.279 -8.174 -2.162 84 1HD2 LEU 22 1HD2 LEU 22 86.220 -7.773 -3.884 85 2HD2 LEU 22 2HD2 LEU 22 86.997 -8.937 -4.959 86 3HD2 LEU 22 3HD2 LEU 22 86.664 -7.299 -5.524 87 H SER 23 H SER 23 91.231 -6.549 -5.140 88 HA SER 23 HA SER 23 92.668 -7.352 -2.705 89 1HB SER 23 1HB SER 23 93.012 -8.601 -5.428 90 2HB SER 23 2HB SER 23 93.403 -9.285 -3.850 91 HG SER 23 HG SER 23 91.519 -10.218 -4.229 92 H SER 24 H SER 24 92.920 -5.537 -5.642 93 HA SER 24 HA SER 24 95.823 -5.397 -5.462 94 1HB SER 24 1HB SER 24 93.881 -4.156 -7.422 95 2HB SER 24 2HB SER 24 95.632 -3.975 -7.507 96 HG SER 24 HG SER 24 95.736 -5.867 -8.396 97 H TYR 25 H TYR 25 93.331 -3.924 -3.930 98 HA TYR 25 HA TYR 25 94.805 -1.393 -3.654 99 1HB TYR 25 1HB TYR 25 92.186 -1.687 -4.404 100 2HB TYR 25 2HB TYR 25 92.031 -1.455 -2.667 101 HD1 TYR 25 HD1 TYR 25 93.573 0.550 -1.746 102 HD2 TYR 25 HD2 TYR 25 92.100 0.199 -5.721 103 HE1 TYR 25 HE1 TYR 25 93.823 2.978 -2.046 104 HE2 TYR 25 HE2 TYR 25 92.346 2.625 -6.033 105 HH TYR 25 HH TYR 25 93.684 4.481 -5.062 106 H TRP 26 H TRP 26 94.000 -4.275 -2.147 107 HA TRP 26 HA TRP 26 94.095 -3.167 0.555 108 1HB TRP 26 1HB TRP 26 92.456 -4.950 0.103 109 2HB TRP 26 2HB TRP 26 93.758 -6.026 -0.393 110 HD1 TRP 26 HD1 TRP 26 95.442 -6.881 1.580 111 HE1 TRP 26 HE1 TRP 26 95.018 -7.222 4.092 112 HE3 TRP 26 HE3 TRP 26 91.194 -4.080 2.075 113 HZ2 TRP 26 HZ2 TRP 26 93.134 -6.413 6.032 114 HZ3 TRP 26 HZ3 TRP 26 90.143 -3.916 4.294 115 HH2 TRP 26 HH2 TRP 26 91.093 -5.059 6.231 116 H GLU 27 H GLU 27 95.955 -5.022 -1.740 117 HA GLU 27 HA GLU 27 98.096 -5.500 0.155 118 1HB GLU 27 1HB GLU 27 97.338 -6.510 -2.465 119 2HB GLU 27 2HB GLU 27 99.049 -6.116 -2.391 120 1HG GLU 27 1HG GLU 27 99.120 -8.273 -1.692 121 2HG GLU 27 2HG GLU 27 98.918 -7.466 -0.137 122 H SER 28 H SER 28 97.181 -3.167 -2.188 123 HA SER 28 HA SER 28 99.832 -2.075 -2.531 124 1HB SER 28 1HB SER 28 97.780 -2.015 -4.174 125 2HB SER 28 2HB SER 28 97.320 -0.601 -3.233 126 HG SER 28 HG SER 28 98.750 -0.340 -5.185 127 H ALA 29 H ALA 29 96.877 -1.325 -0.797 128 HA ALA 29 HA ALA 29 97.479 1.152 0.262 129 1HB ALA 29 1HB ALA 29 95.846 -1.149 1.217 130 2HB ALA 29 2HB ALA 29 95.349 0.489 0.791 131 3HB ALA 29 3HB ALA 29 96.157 0.185 2.329 132 H LYS 30 H LYS 30 98.766 -1.981 1.068 133 HA LYS 30 HA LYS 30 100.099 -1.008 3.458 134 1HB LYS 30 1HB LYS 30 100.352 -3.687 2.079 135 2HB LYS 30 2HB LYS 30 100.931 -3.284 3.690 136 1HG LYS 30 1HG LYS 30 98.059 -2.838 3.204 137 2HG LYS 30 2HG LYS 30 98.599 -4.518 3.204 138 1HD LYS 30 1HD LYS 30 99.659 -2.866 5.394 139 2HD LYS 30 2HD LYS 30 97.914 -3.125 5.430 140 1HE LYS 30 1HE LYS 30 98.462 -5.022 6.507 141 2HE LYS 30 2HE LYS 30 98.782 -5.627 4.883 142 1HZ LYS 30 1HZ LYS 30 101.122 -4.558 5.395 143 2HZ LYS 30 2HZ LYS 30 100.743 -6.137 5.868 144 3HZ LYS 30 3HZ LYS 30 100.658 -4.875 6.991 145 H THR 31 H THR 31 100.848 -1.747 0.105 146 HA THR 31 HA THR 31 103.685 -1.599 0.429 147 HB THR 31 HB THR 31 103.808 -1.682 -1.964 148 HG1 THR 31 HG1 THR 31 101.156 -0.764 -1.832 149 1HG2 THR 31 1HG2 THR 31 102.095 -3.502 -0.552 150 2HG2 THR 31 2HG2 THR 31 103.245 -3.814 -1.852 151 3HG2 THR 31 3HG2 THR 31 101.591 -3.338 -2.235 152 H ALA 32 H ALA 32 101.138 0.699 -0.051 153 HA ALA 32 HA ALA 32 103.132 2.838 -0.410 154 1HB ALA 32 1HB ALA 32 100.930 4.108 -1.130 155 2HB ALA 32 2HB ALA 32 100.384 2.467 -1.477 156 3HB ALA 32 3HB ALA 32 101.829 3.100 -2.265 157 H ALA 33 H ALA 33 102.073 1.526 2.109 158 HA ALA 33 HA ALA 33 100.755 3.822 3.365 159 1HB ALA 33 1HB ALA 33 100.864 0.926 3.921 160 2HB ALA 33 2HB ALA 33 99.545 2.076 4.140 161 3HB ALA 33 3HB ALA 33 100.843 1.984 5.332 162 H GLN 34 H GLN 34 103.427 1.562 4.062 163 HA GLN 34 HA GLN 34 104.542 3.055 6.155 164 1HB GLN 34 1HB GLN 34 105.491 0.875 4.368 165 2HB GLN 34 2HB GLN 34 106.710 1.776 5.259 166 1HG GLN 34 1HG GLN 34 105.287 1.288 7.328 167 2HG GLN 34 2HG GLN 34 104.477 0.088 6.322 168 1HE2 GLN 34 1HE2 GLN 34 106.793 0.450 8.558 169 2HE2 GLN 34 2HE2 GLN 34 107.824 -0.877 8.158 170 H ASN 35 H ASN 35 104.583 3.550 2.767 171 HA ASN 35 HA ASN 35 106.994 5.060 2.595 172 1HB ASN 35 1HB ASN 35 105.510 3.906 0.738 173 2HB ASN 35 2HB ASN 35 104.717 5.474 0.705 174 1HD2 ASN 35 1HD2 ASN 35 105.486 5.610 -1.478 175 2HD2 ASN 35 2HD2 ASN 35 107.107 6.121 -1.790 176 H LEU 36 H LEU 36 103.579 6.052 2.384 177 HA LEU 36 HA LEU 36 104.107 8.815 2.639 178 1HB LEU 36 1HB LEU 36 101.519 7.592 3.523 179 2HB LEU 36 2HB LEU 36 101.796 9.131 2.730 180 HG LEU 36 HG LEU 36 101.984 6.409 1.447 181 1HD1 LEU 36 1HD1 LEU 36 99.703 7.450 2.018 182 2HD1 LEU 36 2HD1 LEU 36 99.978 6.875 0.373 183 3HD1 LEU 36 3HD1 LEU 36 100.073 8.599 0.733 184 1HD2 LEU 36 1HD2 LEU 36 103.457 8.564 0.728 185 2HD2 LEU 36 2HD2 LEU 36 101.994 8.826 -0.222 186 3HD2 LEU 36 3HD2 LEU 36 102.899 7.322 -0.393 187 H TYR 37 H TYR 37 103.149 6.355 5.001 188 HA TYR 37 HA TYR 37 102.826 8.011 7.215 189 1HB TYR 37 1HB TYR 37 103.304 5.141 6.774 190 2HB TYR 37 2HB TYR 37 103.815 5.736 8.349 191 HD1 TYR 37 HD1 TYR 37 102.233 4.862 9.825 192 HD2 TYR 37 HD2 TYR 37 100.912 6.811 6.281 193 HE1 TYR 37 HE1 TYR 37 99.911 4.738 10.628 194 HE2 TYR 37 HE2 TYR 37 98.588 6.692 7.075 195 HH TYR 37 HH TYR 37 97.660 4.790 9.768 196 H GLU 38 H GLU 38 105.685 7.089 5.574 197 HA GLU 38 HA GLU 38 107.510 7.501 7.733 198 1HB GLU 38 1HB GLU 38 107.739 6.304 5.328 199 2HB GLU 38 2HB GLU 38 108.460 7.862 4.950 200 1HG GLU 38 1HG GLU 38 110.116 6.186 5.627 201 2HG GLU 38 2HG GLU 38 110.090 7.585 6.699 202 H LYS 39 H LYS 39 106.579 9.439 4.897 203 HA LYS 39 HA LYS 39 107.909 11.764 6.082 204 1HB LYS 39 1HB LYS 39 106.662 11.534 3.341 205 2HB LYS 39 2HB LYS 39 107.742 12.798 3.915 206 1HG LYS 39 1HG LYS 39 109.296 10.637 4.311 207 2HG LYS 39 2HG LYS 39 108.344 10.094 2.927 208 1HD LYS 39 1HD LYS 39 109.666 12.789 2.960 209 2HD LYS 39 2HD LYS 39 110.544 11.340 2.469 210 1HE LYS 39 1HE LYS 39 107.904 11.699 1.221 211 2HE LYS 39 2HE LYS 39 109.113 12.907 0.786 212 1HZ LYS 39 1HZ LYS 39 110.537 10.681 0.527 213 2HZ LYS 39 2HZ LYS 39 109.655 11.367 -0.742 214 3HZ LYS 39 3HZ LYS 39 109.004 10.078 0.139 215 H THR 40 H THR 40 105.415 10.702 7.149 216 HA THR 40 HA THR 40 103.889 13.169 7.081 217 HB THR 40 HB THR 40 102.482 10.550 6.581 218 HG1 THR 40 HG1 THR 40 103.286 10.765 4.648 219 1HG2 THR 40 1HG2 THR 40 100.823 11.923 7.317 220 2HG2 THR 40 2HG2 THR 40 100.810 12.314 5.598 221 3HG2 THR 40 3HG2 THR 40 101.620 13.386 6.740 222 H TYR 41 H TYR 41 104.113 9.879 8.340 223 HA TYR 41 HA TYR 41 102.923 10.757 10.868 224 1HB TYR 41 1HB TYR 41 102.428 8.519 9.459 225 2HB TYR 41 2HB TYR 41 103.731 7.930 10.487 226 HD1 TYR 41 HD1 TYR 41 103.459 8.008 12.973 227 HD2 TYR 41 HD2 TYR 41 100.247 8.868 10.321 228 HE1 TYR 41 HE1 TYR 41 101.859 7.667 14.809 229 HE2 TYR 41 HE2 TYR 41 98.638 8.530 12.149 230 HH TYR 41 HH TYR 41 98.914 8.737 14.907 231 H LEU 42 H LEU 42 105.582 11.582 10.096 232 HA LEU 42 HA LEU 42 107.216 10.160 12.091 233 1HB LEU 42 1HB LEU 42 108.153 10.103 9.846 234 2HB LEU 42 2HB LEU 42 108.061 11.851 9.739 235 HG LEU 42 HG LEU 42 109.610 11.703 11.893 236 1HD1 LEU 42 1HD1 LEU 42 110.859 9.823 12.144 237 2HD1 LEU 42 2HD1 LEU 42 110.743 9.383 10.441 238 3HD1 LEU 42 3HD1 LEU 42 109.384 9.083 11.523 239 1HD2 LEU 42 1HD2 LEU 42 111.474 12.119 10.486 240 2HD2 LEU 42 2HD2 LEU 42 110.058 12.767 9.658 241 3HD2 LEU 42 3HD2 LEU 42 110.750 11.227 9.149 242 HA PRO 43 HA PRO 43 106.597 14.228 14.067 243 1HB PRO 43 1HB PRO 43 106.128 13.359 16.540 244 2HB PRO 43 2HB PRO 43 104.891 13.230 15.284 245 1HG PRO 43 1HG PRO 43 106.708 11.126 16.378 246 2HG PRO 43 2HG PRO 43 105.001 11.005 15.920 247 1HD PRO 43 1HD PRO 43 107.154 10.216 14.342 248 2HD PRO 43 2HD PRO 43 105.514 10.545 13.750 249 H ALA 44 H ALA 44 109.186 12.867 13.512 250 HA ALA 44 HA ALA 44 110.652 13.888 15.843 251 1HB ALA 44 1HB ALA 44 110.620 11.433 15.936 252 2HB ALA 44 2HB ALA 44 112.247 12.067 15.691 253 3HB ALA 44 3HB ALA 44 111.359 11.374 14.336 254 H VAL 45 H VAL 45 110.019 14.459 12.750 255 HA VAL 45 HA VAL 45 112.524 14.655 11.490 256 HB VAL 45 HB VAL 45 110.503 14.789 10.186 257 1HG1 VAL 45 1HG1 VAL 45 109.919 17.143 11.930 258 2HG1 VAL 45 2HG1 VAL 45 108.881 15.786 11.494 259 3HG1 VAL 45 3HG1 VAL 45 109.228 17.047 10.310 260 1HG2 VAL 45 1HG2 VAL 45 112.694 16.412 9.844 261 2HG2 VAL 45 2HG2 VAL 45 111.343 17.533 9.677 262 3HG2 VAL 45 3HG2 VAL 45 111.439 16.108 8.643 263 H ASP 46 H ASP 46 110.861 16.694 13.770 264 HA ASP 46 HA ASP 46 112.536 18.989 13.387 265 1HB ASP 46 1HB ASP 46 110.156 18.950 14.346 266 2HB ASP 46 2HB ASP 46 110.895 18.404 15.847 267 H GLU 47 H GLU 47 112.741 16.053 15.186 268 HA GLU 47 HA GLU 47 115.152 17.071 16.545 269 1HB GLU 47 1HB GLU 47 112.905 15.401 17.546 270 2HB GLU 47 2HB GLU 47 114.519 14.992 18.109 271 1HG GLU 47 1HG GLU 47 114.739 17.455 18.728 272 2HG GLU 47 2HG GLU 47 112.993 17.540 18.501 273 H LYS 48 H LYS 48 114.860 15.815 13.908 274 HA LYS 48 HA LYS 48 116.983 13.914 14.142 275 1HB LYS 48 1HB LYS 48 114.979 12.527 14.698 276 2HB LYS 48 2HB LYS 48 114.334 12.896 13.104 277 1HG LYS 48 1HG LYS 48 116.110 11.726 12.030 278 2HG LYS 48 2HG LYS 48 116.978 11.536 13.555 279 1HD LYS 48 1HD LYS 48 115.665 9.820 14.245 280 2HD LYS 48 2HD LYS 48 114.221 10.476 13.471 281 1HE LYS 48 1HE LYS 48 116.512 9.193 11.991 282 2HE LYS 48 2HE LYS 48 115.040 8.348 12.466 283 1HZ LYS 48 1HZ LYS 48 113.843 9.347 10.862 284 2HZ LYS 48 2HZ LYS 48 115.348 9.536 10.114 285 3HZ LYS 48 3HZ LYS 48 114.670 10.819 10.982 286 H LEU 49 H LEU 49 114.316 14.776 11.935 287 HA LEU 49 HA LEU 49 114.307 15.262 9.701 288 1HB LEU 49 1HB LEU 49 115.394 17.278 10.842 289 2HB LEU 49 2HB LEU 49 116.918 16.656 10.238 290 HG LEU 49 HG LEU 49 115.614 16.692 7.927 291 1HD1 LEU 49 1HD1 LEU 49 114.011 18.381 9.747 292 2HD1 LEU 49 2HD1 LEU 49 113.529 17.483 8.308 293 3HD1 LEU 49 3HD1 LEU 49 114.352 19.035 8.145 294 1HD2 LEU 49 1HD2 LEU 49 117.047 18.877 9.380 295 2HD2 LEU 49 2HD2 LEU 49 116.414 19.155 7.758 296 3HD2 LEU 49 3HD2 LEU 49 117.597 17.877 8.036 297 H ARG 50 H ARG 50 115.593 12.779 10.431 298 HA ARG 50 HA ARG 50 116.685 11.075 9.393 299 1HB ARG 50 1HB ARG 50 117.134 12.954 7.074 300 2HB ARG 50 2HB ARG 50 117.155 11.196 7.044 301 1HG ARG 50 1HG ARG 50 114.926 11.045 6.877 302 2HG ARG 50 2HG ARG 50 114.648 12.370 8.009 303 1HD ARG 50 1HD ARG 50 114.425 13.866 6.361 304 2HD ARG 50 2HD ARG 50 115.833 13.250 5.498 305 HE ARG 50 HE ARG 50 113.080 12.597 5.012 306 1HH1 ARG 50 1HH1 ARG 50 116.374 11.493 4.688 307 2HH1 ARG 50 2HH1 ARG 50 116.021 10.436 3.363 308 1HH2 ARG 50 1HH2 ARG 50 112.614 11.207 3.270 309 2HH2 ARG 50 2HH2 ARG 50 113.887 10.274 2.556 310 H ASP 51 H ASP 51 118.058 13.099 11.035 311 HA ASP 51 HA ASP 51 120.785 12.778 9.961 312 1HB ASP 51 1HB ASP 51 119.950 15.148 10.184 313 2HB ASP 51 2HB ASP 51 119.884 14.893 11.925 314 H LEU 52 H LEU 52 118.660 12.271 12.659 315 HA LEU 52 HA LEU 52 120.838 11.484 14.416 316 1HB LEU 52 1HB LEU 52 118.242 12.473 14.808 317 2HB LEU 52 2HB LEU 52 118.206 10.825 15.404 318 HG LEU 52 HG LEU 52 120.428 11.599 16.634 319 1HD1 LEU 52 1HD1 LEU 52 118.981 14.158 16.910 320 2HD1 LEU 52 2HD1 LEU 52 119.902 13.927 15.423 321 3HD1 LEU 52 3HD1 LEU 52 120.710 13.813 16.987 322 1HD2 LEU 52 1HD2 LEU 52 117.564 11.756 17.343 323 2HD2 LEU 52 2HD2 LEU 52 118.694 12.560 18.433 324 3HD2 LEU 52 3HD2 LEU 52 118.872 10.838 18.090 325 H TYR 53 H TYR 53 119.844 10.028 11.864 326 HA TYR 53 HA TYR 53 119.418 7.387 13.071 327 1HB TYR 53 1HB TYR 53 118.131 8.703 10.933 328 2HB TYR 53 2HB TYR 53 119.091 7.421 10.208 329 HD1 TYR 53 HD1 TYR 53 117.361 5.970 9.511 330 HD2 TYR 53 HD2 TYR 53 117.488 7.305 13.548 331 HE1 TYR 53 HE1 TYR 53 115.618 4.340 10.098 332 HE2 TYR 53 HE2 TYR 53 115.746 5.677 14.148 333 HH TYR 53 HH TYR 53 114.797 3.617 13.350 334 H SER 54 H SER 54 121.259 9.121 10.599 335 HA SER 54 HA SER 54 123.246 8.693 9.582 336 1HB SER 54 1HB SER 54 123.707 8.476 12.231 337 2HB SER 54 2HB SER 54 124.171 6.855 11.717 338 HG SER 54 HG SER 54 125.470 8.020 10.067 339 H LYS 55 H LYS 55 121.324 7.195 8.526 340 HA LYS 55 HA LYS 55 120.922 5.341 7.264 341 1HB LYS 55 1HB LYS 55 123.900 5.214 7.611 342 2HB LYS 55 2HB LYS 55 123.050 3.913 6.789 343 1HG LYS 55 1HG LYS 55 122.522 5.206 4.984 344 2HG LYS 55 2HG LYS 55 122.530 6.705 5.917 345 1HD LYS 55 1HD LYS 55 125.086 6.185 6.156 346 2HD LYS 55 2HD LYS 55 124.812 5.196 4.720 347 1HE LYS 55 1HE LYS 55 124.381 7.000 3.390 348 2HE LYS 55 2HE LYS 55 123.740 7.965 4.720 349 1HZ LYS 55 1HZ LYS 55 126.487 7.659 3.802 350 2HZ LYS 55 2HZ LYS 55 126.263 7.775 5.475 351 3HZ LYS 55 3HZ LYS 55 125.709 9.010 4.460 352 H SER 56 H SER 56 121.022 5.259 10.335 353 HA SER 56 HA SER 56 121.804 2.768 11.264 354 1HB SER 56 1HB SER 56 119.790 4.786 12.117 355 2HB SER 56 2HB SER 56 119.647 3.169 12.809 356 HG SER 56 HG SER 56 121.442 3.465 13.900 357 H THR 57 H THR 57 118.706 3.739 9.854 358 HA THR 57 HA THR 57 118.263 1.002 8.983 359 HB THR 57 HB THR 57 116.081 2.461 10.460 360 HG1 THR 57 HG1 THR 57 117.831 0.475 11.472 361 1HG2 THR 57 1HG2 THR 57 116.385 -0.275 9.339 362 2HG2 THR 57 2HG2 THR 57 115.004 0.820 9.289 363 3HG2 THR 57 3HG2 THR 57 115.398 -0.035 10.780 364 H ALA 58 H ALA 58 118.777 3.756 7.873 365 HA ALA 58 HA ALA 58 116.374 4.438 6.439 366 1HB ALA 58 1HB ALA 58 119.007 5.446 5.518 367 2HB ALA 58 2HB ALA 58 118.487 5.911 7.137 368 3HB ALA 58 3HB ALA 58 117.481 6.301 5.742 369 H ALA 59 H ALA 59 119.421 2.801 5.777 370 HA ALA 59 HA ALA 59 118.875 2.346 3.008 371 1HB ALA 59 1HB ALA 59 120.887 1.156 4.908 372 2HB ALA 59 2HB ALA 59 121.156 2.385 3.671 373 3HB ALA 59 3HB ALA 59 120.791 0.725 3.200 374 H MET 60 H MET 60 117.970 0.805 5.961 375 HA MET 60 HA MET 60 117.413 -1.767 4.796 376 1HB MET 60 1HB MET 60 117.080 -0.500 7.468 377 2HB MET 60 2HB MET 60 116.048 -1.873 7.088 378 1HG MET 60 1HG MET 60 118.435 -2.850 6.323 379 2HG MET 60 2HG MET 60 118.939 -1.761 7.614 380 1HE MET 60 1HE MET 60 118.816 -1.938 9.708 381 2HE MET 60 2HE MET 60 118.738 -3.487 10.547 382 3HE MET 60 3HE MET 60 117.326 -2.430 10.513 383 H SER 61 H SER 61 115.727 1.229 5.199 384 HA SER 61 HA SER 61 113.199 -0.048 4.404 385 1HB SER 61 1HB SER 61 113.615 2.731 5.529 386 2HB SER 61 2HB SER 61 112.070 1.934 5.236 387 HG SER 61 HG SER 61 112.919 0.281 6.758 388 H THR 62 H THR 62 115.320 0.404 2.538 389 HA THR 62 HA THR 62 114.276 2.604 0.904 390 HB THR 62 HB THR 62 116.618 1.323 -0.192 391 HG1 THR 62 HG1 THR 62 116.827 2.307 2.460 392 1HG2 THR 62 1HG2 THR 62 115.669 4.010 0.383 393 2HG2 THR 62 2HG2 THR 62 116.682 3.416 -0.933 394 3HG2 THR 62 3HG2 THR 62 117.403 3.809 0.627 395 H TYR 63 H TYR 63 114.232 -0.762 1.203 396 HA TYR 63 HA TYR 63 114.263 -1.798 -1.314 397 1HB TYR 63 1HB TYR 63 112.823 -2.460 1.176 398 2HB TYR 63 2HB TYR 63 112.154 -3.143 -0.297 399 HD1 TYR 63 HD1 TYR 63 112.674 -5.422 -0.114 400 HD2 TYR 63 HD2 TYR 63 115.725 -2.526 0.525 401 HE1 TYR 63 HE1 TYR 63 114.355 -7.216 -0.049 402 HE2 TYR 63 HE2 TYR 63 117.414 -4.313 0.590 403 HH TYR 63 HH TYR 63 116.720 -7.535 -0.352 404 H THR 64 H THR 64 111.901 0.336 0.071 405 HA THR 64 HA THR 64 109.680 -0.048 -1.501 406 HB THR 64 HB THR 64 110.730 2.714 -0.919 407 HG1 THR 64 HG1 THR 64 110.887 2.036 1.067 408 1HG2 THR 64 1HG2 THR 64 108.065 1.517 -1.371 409 2HG2 THR 64 2HG2 THR 64 108.702 3.092 -1.844 410 3HG2 THR 64 3HG2 THR 64 108.192 2.811 -0.179 411 H GLY 65 H GLY 65 112.790 1.230 -2.401 412 1HA GLY 65 1HA GLY 65 111.749 1.886 -5.083 413 2HA GLY 65 2HA GLY 65 113.224 2.542 -4.391 414 H ILE 66 H ILE 66 113.489 -0.487 -3.414 415 HA ILE 66 HA ILE 66 114.986 -1.280 -5.806 416 HB ILE 66 HB ILE 66 115.188 -2.581 -3.106 417 1HG1 ILE 66 1HG1 ILE 66 116.883 -0.284 -4.107 418 2HG1 ILE 66 2HG1 ILE 66 115.593 -0.117 -2.921 419 1HG2 ILE 66 1HG2 ILE 66 117.527 -2.349 -4.863 420 2HG2 ILE 66 2HG2 ILE 66 116.207 -3.325 -5.505 421 3HG2 ILE 66 3HG2 ILE 66 116.924 -3.730 -3.947 422 1HD1 ILE 66 1HD1 ILE 66 116.872 -0.878 -1.260 423 2HD1 ILE 66 2HD1 ILE 66 118.217 -0.535 -2.348 424 3HD1 ILE 66 3HD1 ILE 66 117.558 -2.167 -2.249 425 H PHE 67 H PHE 67 112.110 -1.971 -4.157 426 HA PHE 67 HA PHE 67 111.716 -4.652 -4.198 427 1HB PHE 67 1HB PHE 67 110.076 -2.473 -3.962 428 2HB PHE 67 2HB PHE 67 109.487 -3.199 -5.453 429 HD1 PHE 67 HD1 PHE 67 108.429 -5.371 -5.447 430 HD2 PHE 67 HD2 PHE 67 109.873 -3.623 -1.845 431 HE1 PHE 67 HE1 PHE 67 107.141 -7.010 -4.140 432 HE2 PHE 67 HE2 PHE 67 108.588 -5.259 -0.531 433 HZ PHE 67 HZ PHE 67 107.219 -6.956 -1.679 434 H THR 68 H THR 68 111.981 -2.550 -6.971 435 HA THR 68 HA THR 68 111.447 -4.815 -8.764 436 HB THR 68 HB THR 68 111.822 -2.015 -9.750 437 HG1 THR 68 HG1 THR 68 110.312 -1.523 -8.317 438 1HG2 THR 68 1HG2 THR 68 111.364 -3.222 -11.594 439 2HG2 THR 68 2HG2 THR 68 109.703 -2.955 -11.067 440 3HG2 THR 68 3HG2 THR 68 110.512 -4.478 -10.699 441 H ASP 69 H ASP 69 113.908 -2.649 -7.639 442 HA ASP 69 HA ASP 69 115.753 -3.090 -9.774 443 1HB ASP 69 1HB ASP 69 115.624 -1.312 -7.701 444 2HB ASP 69 2HB ASP 69 116.880 -2.409 -7.138 445 H GLN 70 H GLN 70 115.127 -4.601 -6.663 446 HA GLN 70 HA GLN 70 117.421 -6.252 -6.606 447 1HB GLN 70 1HB GLN 70 116.273 -7.494 -4.867 448 2HB GLN 70 2HB GLN 70 116.028 -5.771 -4.620 449 1HG GLN 70 1HG GLN 70 113.807 -5.982 -5.696 450 2HG GLN 70 2HG GLN 70 114.059 -7.724 -5.784 451 1HE2 GLN 70 1HE2 GLN 70 113.603 -5.000 -3.642 452 2HE2 GLN 70 2HE2 GLN 70 113.107 -5.918 -2.265 453 H VAL 71 H VAL 71 114.297 -6.527 -8.139 454 HA VAL 71 HA VAL 71 114.641 -9.315 -8.812 455 HB VAL 71 HB VAL 71 112.586 -7.303 -9.727 456 1HG1 VAL 71 1HG1 VAL 71 111.366 -9.631 -10.133 457 2HG1 VAL 71 2HG1 VAL 71 113.029 -10.161 -10.388 458 3HG1 VAL 71 3HG1 VAL 71 112.355 -8.862 -11.373 459 1HG2 VAL 71 1HG2 VAL 71 112.016 -7.547 -7.542 460 2HG2 VAL 71 2HG2 VAL 71 112.777 -9.132 -7.405 461 3HG2 VAL 71 3HG2 VAL 71 111.203 -8.974 -8.185 462 H LEU 72 H LEU 72 114.757 -6.193 -10.476 463 HA LEU 72 HA LEU 72 115.186 -7.154 -13.073 464 1HB LEU 72 1HB LEU 72 114.769 -4.723 -12.066 465 2HB LEU 72 2HB LEU 72 116.514 -4.634 -12.220 466 HG LEU 72 HG LEU 72 114.625 -5.267 -14.488 467 1HD1 LEU 72 1HD1 LEU 72 115.469 -2.957 -15.247 468 2HD1 LEU 72 2HD1 LEU 72 115.872 -2.713 -13.549 469 3HD1 LEU 72 3HD1 LEU 72 114.203 -3.030 -14.021 470 1HD2 LEU 72 1HD2 LEU 72 116.613 -6.212 -15.145 471 2HD2 LEU 72 2HD2 LEU 72 117.588 -5.057 -14.236 472 3HD2 LEU 72 3HD2 LEU 72 116.811 -4.564 -15.740 473 H SER 73 H SER 73 117.325 -6.815 -10.356 474 HA SER 73 HA SER 73 119.748 -7.040 -11.883 475 1HB SER 73 1HB SER 73 120.594 -7.623 -9.422 476 2HB SER 73 2HB SER 73 120.223 -5.969 -9.909 477 HG SER 73 HG SER 73 118.710 -5.958 -8.469 478 H VAL 74 H VAL 74 117.452 -9.228 -10.523 479 HA VAL 74 HA VAL 74 119.028 -11.498 -10.120 480 HB VAL 74 HB VAL 74 116.152 -11.340 -11.036 481 1HG1 VAL 74 1HG1 VAL 74 117.787 -13.649 -10.004 482 2HG1 VAL 74 2HG1 VAL 74 116.895 -13.538 -11.522 483 3HG1 VAL 74 3HG1 VAL 74 116.024 -13.639 -9.993 484 1HG2 VAL 74 1HG2 VAL 74 116.858 -12.073 -8.267 485 2HG2 VAL 74 2HG2 VAL 74 115.529 -11.087 -8.879 486 3HG2 VAL 74 3HG2 VAL 74 117.144 -10.394 -8.726 487 H LEU 75 H LEU 75 117.775 -10.058 -13.044 488 HA LEU 75 HA LEU 75 118.003 -12.191 -14.818 489 1HB LEU 75 1HB LEU 75 117.720 -9.332 -14.975 490 2HB LEU 75 2HB LEU 75 118.858 -9.880 -16.192 491 HG LEU 75 HG LEU 75 116.987 -11.634 -16.740 492 1HD1 LEU 75 1HD1 LEU 75 115.364 -9.400 -15.534 493 2HD1 LEU 75 2HD1 LEU 75 115.586 -10.991 -14.807 494 3HD1 LEU 75 3HD1 LEU 75 114.750 -10.838 -16.352 495 1HD2 LEU 75 1HD2 LEU 75 117.268 -8.786 -17.539 496 2HD2 LEU 75 2HD2 LEU 75 115.865 -9.683 -18.121 497 3HD2 LEU 75 3HD2 LEU 75 117.492 -10.256 -18.488 498 H LYS 76 H LYS 76 120.434 -10.322 -13.233 499 HA LYS 76 HA LYS 76 122.510 -12.071 -13.890 500 1HB LYS 76 1HB LYS 76 122.053 -9.901 -15.808 501 2HB LYS 76 2HB LYS 76 123.698 -9.948 -15.186 502 1HG LYS 76 1HG LYS 76 122.641 -12.555 -15.994 503 2HG LYS 76 2HG LYS 76 122.782 -11.383 -17.304 504 1HD LYS 76 1HD LYS 76 125.152 -10.964 -16.331 505 2HD LYS 76 2HD LYS 76 124.919 -12.528 -15.548 506 1HE LYS 76 1HE LYS 76 124.170 -13.162 -18.042 507 2HE LYS 76 2HE LYS 76 125.307 -11.865 -18.404 508 1HZ LYS 76 1HZ LYS 76 126.112 -13.972 -16.527 509 2HZ LYS 76 2HZ LYS 76 127.063 -13.046 -17.574 510 3HZ LYS 76 3HZ LYS 76 126.122 -14.312 -18.184 511 H GLY 77 H GLY 77 123.624 -11.971 -12.092 512 1HA GLY 77 1HA GLY 77 125.297 -10.702 -10.835 513 2HA GLY 77 2HA GLY 77 124.223 -9.315 -10.951 514 H GLU 78 H GLU 78 122.097 -11.651 -10.498 515 HA GLU 78 HA GLU 78 120.728 -12.125 -8.734 516 1HB GLU 78 1HB GLU 78 122.474 -13.873 -8.649 517 2HB GLU 78 2HB GLU 78 123.381 -12.887 -7.512 518 1HG GLU 78 1HG GLU 78 120.788 -13.119 -6.458 519 2HG GLU 78 2HG GLU 78 121.246 -14.726 -7.020 520 H GLU 79 H GLU 79 121.694 -9.384 -8.792 521 HA GLU 79 HA GLU 79 122.092 -8.689 -5.994 522 1HB GLU 79 1HB GLU 79 122.382 -7.310 -8.593 523 2HB GLU 79 2HB GLU 79 121.868 -6.300 -7.248 524 1HG GLU 79 1HG GLU 79 124.115 -8.066 -6.628 525 2HG GLU 79 2HG GLU 79 124.447 -6.879 -7.890 Start of MODEL 4 1 H THR 13 H THR 13 84.281 -19.920 2.676 2 HA THR 13 HA THR 13 86.553 -20.540 3.489 3 HB THR 13 HB THR 13 88.340 -19.093 2.543 4 HG1 THR 13 HG1 THR 13 87.335 -17.482 1.508 5 1HG2 THR 13 1HG2 THR 13 87.010 -21.102 0.777 6 2HG2 THR 13 2HG2 THR 13 88.514 -21.235 1.690 7 3HG2 THR 13 3HG2 THR 13 88.446 -20.229 0.243 8 H PHE 14 H PHE 14 87.046 -19.388 5.282 9 HA PHE 14 HA PHE 14 85.671 -16.808 5.607 10 1HB PHE 14 1HB PHE 14 85.879 -17.275 8.064 11 2HB PHE 14 2HB PHE 14 84.874 -18.429 7.194 12 HD1 PHE 14 HD1 PHE 14 85.707 -20.696 6.735 13 HD2 PHE 14 HD2 PHE 14 87.908 -17.940 9.116 14 HE1 PHE 14 HE1 PHE 14 87.067 -22.549 7.614 15 HE2 PHE 14 HE2 PHE 14 89.273 -19.787 10.000 16 HZ PHE 14 HZ PHE 14 88.853 -22.095 9.248 17 H LEU 15 H LEU 15 88.707 -18.513 6.086 18 HA LEU 15 HA LEU 15 90.050 -16.145 7.072 19 1HB LEU 15 1HB LEU 15 92.040 -17.559 7.152 20 2HB LEU 15 2HB LEU 15 90.684 -18.320 7.960 21 HG LEU 15 HG LEU 15 90.392 -19.453 5.559 22 1HD1 LEU 15 1HD1 LEU 15 92.631 -18.054 5.044 23 2HD1 LEU 15 2HD1 LEU 15 92.231 -19.584 4.264 24 3HD1 LEU 15 3HD1 LEU 15 93.336 -19.557 5.640 25 1HD2 LEU 15 1HD2 LEU 15 91.906 -20.179 7.991 26 2HD2 LEU 15 2HD2 LEU 15 92.165 -21.184 6.566 27 3HD2 LEU 15 3HD2 LEU 15 90.539 -20.984 7.220 28 H THR 16 H THR 16 89.598 -17.846 4.073 29 HA THR 16 HA THR 16 91.753 -16.565 2.681 30 HB THR 16 HB THR 16 89.341 -17.806 1.375 31 HG1 THR 16 HG1 THR 16 90.449 -19.801 1.570 32 1HG2 THR 16 1HG2 THR 16 90.531 -17.531 -0.465 33 2HG2 THR 16 2HG2 THR 16 91.717 -18.662 0.186 34 3HG2 THR 16 3HG2 THR 16 91.908 -16.930 0.457 35 H GLN 17 H GLN 17 88.402 -15.850 3.322 36 HA GLN 17 HA GLN 17 87.999 -13.946 1.287 37 1HB GLN 17 1HB GLN 17 85.952 -13.710 2.201 38 2HB GLN 17 2HB GLN 17 86.421 -15.063 3.218 39 1HG GLN 17 1HG GLN 17 86.910 -13.670 5.037 40 2HG GLN 17 2HG GLN 17 86.934 -12.221 4.030 41 1HE2 GLN 17 1HE2 GLN 17 85.107 -11.092 3.770 42 2HE2 GLN 17 2HE2 GLN 17 83.559 -11.558 4.380 43 H VAL 18 H VAL 18 88.977 -13.550 4.694 44 HA VAL 18 HA VAL 18 89.351 -10.762 4.577 45 HB VAL 18 HB VAL 18 91.118 -12.401 6.338 46 1HG1 VAL 18 1HG1 VAL 18 90.899 -10.624 7.840 47 2HG1 VAL 18 2HG1 VAL 18 89.428 -10.035 7.068 48 3HG1 VAL 18 3HG1 VAL 18 90.983 -9.851 6.257 49 1HG2 VAL 18 1HG2 VAL 18 89.003 -12.325 7.931 50 2HG2 VAL 18 2HG2 VAL 18 89.284 -13.678 6.835 51 3HG2 VAL 18 3HG2 VAL 18 88.144 -12.407 6.393 52 H LYS 19 H LYS 19 91.422 -13.485 3.807 53 HA LYS 19 HA LYS 19 93.862 -12.167 3.555 54 1HB LYS 19 1HB LYS 19 92.672 -14.639 2.409 55 2HB LYS 19 2HB LYS 19 94.100 -13.998 1.607 56 1HG LYS 19 1HG LYS 19 95.258 -14.026 3.819 57 2HG LYS 19 2HG LYS 19 93.851 -14.863 4.477 58 1HD LYS 19 1HD LYS 19 95.456 -16.530 3.920 59 2HD LYS 19 2HD LYS 19 94.187 -16.607 2.696 60 1HE LYS 19 1HE LYS 19 95.558 -15.922 1.040 61 2HE LYS 19 2HE LYS 19 96.433 -14.804 2.086 62 1HZ LYS 19 1HZ LYS 19 97.476 -17.061 1.160 63 2HZ LYS 19 2HZ LYS 19 96.840 -17.631 2.620 64 3HZ LYS 19 3HZ LYS 19 97.952 -16.356 2.623 65 H GLU 20 H GLU 20 91.023 -12.098 1.583 66 HA GLU 20 HA GLU 20 92.340 -10.984 -0.732 67 1HB GLU 20 1HB GLU 20 89.407 -11.141 -0.013 68 2HB GLU 20 2HB GLU 20 90.039 -10.627 -1.570 69 1HG GLU 20 1HG GLU 20 90.904 -12.795 -2.025 70 2HG GLU 20 2HG GLU 20 90.566 -13.337 -0.381 71 H SER 21 H SER 21 91.147 -9.819 2.246 72 HA SER 21 HA SER 21 90.991 -7.063 1.271 73 1HB SER 21 1HB SER 21 89.538 -8.571 3.210 74 2HB SER 21 2HB SER 21 90.350 -7.240 4.025 75 HG SER 21 HG SER 21 89.430 -5.890 2.298 76 H LEU 22 H LEU 22 92.364 -8.925 4.018 77 HA LEU 22 HA LEU 22 93.974 -6.860 5.005 78 1HB LEU 22 1HB LEU 22 95.289 -8.634 6.095 79 2HB LEU 22 2HB LEU 22 93.561 -8.852 6.307 80 HG LEU 22 HG LEU 22 93.949 -10.378 4.120 81 1HD1 LEU 22 1HD1 LEU 22 96.249 -10.247 3.858 82 2HD1 LEU 22 2HD1 LEU 22 96.039 -11.745 4.766 83 3HD1 LEU 22 3HD1 LEU 22 96.550 -10.275 5.597 84 1HD2 LEU 22 1HD2 LEU 22 93.366 -12.088 5.481 85 2HD2 LEU 22 2HD2 LEU 22 93.116 -10.780 6.638 86 3HD2 LEU 22 3HD2 LEU 22 94.613 -11.711 6.669 87 H SER 23 H SER 23 94.265 -8.784 2.203 88 HA SER 23 HA SER 23 97.085 -8.079 1.844 89 1HB SER 23 1HB SER 23 96.183 -10.453 1.440 90 2HB SER 23 2HB SER 23 95.442 -9.793 -0.016 91 HG SER 23 HG SER 23 98.207 -9.742 0.627 92 H SER 24 H SER 24 93.907 -7.204 0.837 93 HA SER 24 HA SER 24 94.823 -5.890 -1.581 94 1HB SER 24 1HB SER 24 92.158 -6.331 -0.291 95 2HB SER 24 2HB SER 24 92.331 -5.042 -1.482 96 HG SER 24 HG SER 24 92.336 -6.499 -2.985 97 H TYR 25 H TYR 25 94.956 -5.159 1.619 98 HA TYR 25 HA TYR 25 94.793 -2.268 1.095 99 1HB TYR 25 1HB TYR 25 93.832 -3.907 3.348 100 2HB TYR 25 2HB TYR 25 94.711 -2.459 3.825 101 HD1 TYR 25 HD1 TYR 25 91.591 -3.774 2.681 102 HD2 TYR 25 HD2 TYR 25 93.930 -0.224 2.860 103 HE1 TYR 25 HE1 TYR 25 89.568 -2.428 2.300 104 HE2 TYR 25 HE2 TYR 25 91.913 1.131 2.481 105 HH TYR 25 HH TYR 25 89.523 0.979 2.699 106 H TRP 26 H TRP 26 96.849 -4.822 1.630 107 HA TRP 26 HA TRP 26 98.855 -3.252 3.061 108 1HB TRP 26 1HB TRP 26 98.535 -5.593 3.750 109 2HB TRP 26 2HB TRP 26 98.911 -6.130 2.116 110 HD1 TRP 26 HD1 TRP 26 101.514 -5.637 1.284 111 HE1 TRP 26 HE1 TRP 26 103.686 -5.675 2.659 112 HE3 TRP 26 HE3 TRP 26 99.517 -5.176 5.969 113 HZ2 TRP 26 HZ2 TRP 26 104.455 -5.528 5.372 114 HZ3 TRP 26 HZ3 TRP 26 101.041 -5.133 7.901 115 HH2 TRP 26 HH2 TRP 26 103.458 -5.307 7.607 116 H GLU 27 H GLU 27 98.084 -4.557 -0.073 117 HA GLU 27 HA GLU 27 100.646 -3.800 -1.200 118 1HB GLU 27 1HB GLU 27 99.787 -4.693 -3.292 119 2HB GLU 27 2HB GLU 27 99.493 -5.838 -1.991 120 1HG GLU 27 1HG GLU 27 97.179 -5.150 -1.864 121 2HG GLU 27 2HG GLU 27 97.454 -3.922 -3.098 122 H SER 28 H SER 28 97.540 -2.443 -0.720 123 HA SER 28 HA SER 28 97.785 -0.463 -2.809 124 1HB SER 28 1HB SER 28 95.613 -1.505 -1.756 125 2HB SER 28 2HB SER 28 95.844 -0.256 -0.539 126 HG SER 28 HG SER 28 95.625 1.298 -2.095 127 H ALA 29 H ALA 29 98.062 -0.658 0.685 128 HA ALA 29 HA ALA 29 98.447 2.019 1.302 129 1HB ALA 29 1HB ALA 29 99.956 -0.234 2.616 130 2HB ALA 29 2HB ALA 29 98.248 0.089 2.918 131 3HB ALA 29 3HB ALA 29 99.462 1.302 3.327 132 H LYS 30 H LYS 30 100.545 -0.228 -0.301 133 HA LYS 30 HA LYS 30 102.858 1.525 -0.065 134 1HB LYS 30 1HB LYS 30 102.382 -1.262 -0.976 135 2HB LYS 30 2HB LYS 30 103.710 -0.395 -1.735 136 1HG LYS 30 1HG LYS 30 104.260 0.161 0.814 137 2HG LYS 30 2HG LYS 30 103.418 -1.373 1.037 138 1HD LYS 30 1HD LYS 30 105.034 -2.574 -0.041 139 2HD LYS 30 2HD LYS 30 105.482 -1.229 -1.093 140 1HE LYS 30 1HE LYS 30 106.214 -0.245 1.316 141 2HE LYS 30 2HE LYS 30 106.480 -1.967 1.579 142 1HZ LYS 30 1HZ LYS 30 108.461 -1.485 0.658 143 2HZ LYS 30 2HZ LYS 30 107.892 -0.118 -0.158 144 3HZ LYS 30 3HZ LYS 30 107.618 -1.658 -0.800 145 H THR 31 H THR 31 100.364 0.656 -2.352 146 HA THR 31 HA THR 31 101.701 1.793 -4.622 147 HB THR 31 HB THR 31 99.793 -0.005 -4.525 148 HG1 THR 31 HG1 THR 31 100.065 2.042 -6.449 149 1HG2 THR 31 1HG2 THR 31 97.939 2.122 -5.307 150 2HG2 THR 31 2HG2 THR 31 98.261 2.013 -3.578 151 3HG2 THR 31 3HG2 THR 31 97.645 0.611 -4.449 152 H ALA 32 H ALA 32 99.668 2.980 -2.082 153 HA ALA 32 HA ALA 32 99.547 5.600 -3.430 154 1HB ALA 32 1HB ALA 32 97.553 4.117 -1.826 155 2HB ALA 32 2HB ALA 32 97.328 5.210 -3.192 156 3HB ALA 32 3HB ALA 32 97.634 5.862 -1.582 157 H ALA 33 H ALA 33 101.633 4.364 -1.619 158 HA ALA 33 HA ALA 33 101.476 6.109 0.717 159 1HB ALA 33 1HB ALA 33 102.335 4.234 1.602 160 2HB ALA 33 2HB ALA 33 103.865 4.812 0.941 161 3HB ALA 33 3HB ALA 33 102.901 3.641 0.041 162 H GLN 34 H GLN 34 103.894 5.331 -1.793 163 HA GLN 34 HA GLN 34 105.611 7.463 -1.264 164 1HB GLN 34 1HB GLN 34 105.727 5.356 -2.922 165 2HB GLN 34 2HB GLN 34 105.315 6.605 -4.089 166 1HG GLN 34 1HG GLN 34 107.275 7.824 -3.632 167 2HG GLN 34 2HG GLN 34 107.605 6.892 -2.172 168 1HE2 GLN 34 1HE2 GLN 34 109.671 6.367 -2.899 169 2HE2 GLN 34 2HE2 GLN 34 109.935 5.201 -4.145 170 H ASN 35 H ASN 35 102.547 7.414 -2.816 171 HA ASN 35 HA ASN 35 102.877 9.853 -4.290 172 1HB ASN 35 1HB ASN 35 101.182 7.853 -4.613 173 2HB ASN 35 2HB ASN 35 100.194 8.796 -3.507 174 1HD2 ASN 35 1HD2 ASN 35 100.926 8.267 -6.681 175 2HD2 ASN 35 2HD2 ASN 35 100.315 9.733 -7.360 176 H LEU 36 H LEU 36 100.801 8.996 -1.524 177 HA LEU 36 HA LEU 36 100.114 11.627 -0.849 178 1HB LEU 36 1HB LEU 36 99.256 10.745 1.193 179 2HB LEU 36 2HB LEU 36 98.942 9.572 -0.072 180 HG LEU 36 HG LEU 36 101.197 8.512 0.800 181 1HD1 LEU 36 1HD1 LEU 36 100.470 10.473 2.858 182 2HD1 LEU 36 2HD1 LEU 36 102.019 9.700 2.517 183 3HD1 LEU 36 3HD1 LEU 36 100.798 8.848 3.461 184 1HD2 LEU 36 1HD2 LEU 36 98.636 7.796 0.912 185 2HD2 LEU 36 2HD2 LEU 36 98.922 8.038 2.636 186 3HD2 LEU 36 3HD2 LEU 36 99.909 6.891 1.732 187 H TYR 37 H TYR 37 102.843 9.625 0.106 188 HA TYR 37 HA TYR 37 103.772 11.329 2.175 189 1HB TYR 37 1HB TYR 37 104.388 8.824 1.492 190 2HB TYR 37 2HB TYR 37 105.708 9.647 0.666 191 HD1 TYR 37 HD1 TYR 37 104.535 8.360 3.775 192 HD2 TYR 37 HD2 TYR 37 107.156 11.243 2.068 193 HE1 TYR 37 HE1 TYR 37 105.776 8.477 5.893 194 HE2 TYR 37 HE2 TYR 37 108.405 11.369 4.182 195 HH TYR 37 HH TYR 37 107.247 9.968 7.087 196 H GLU 38 H GLU 38 103.753 11.695 -1.174 197 HA GLU 38 HA GLU 38 106.073 13.485 -1.148 198 1HB GLU 38 1HB GLU 38 106.031 11.777 -2.911 199 2HB GLU 38 2HB GLU 38 104.486 12.396 -3.479 200 1HG GLU 38 1HG GLU 38 105.421 14.141 -4.545 201 2HG GLU 38 2HG GLU 38 106.669 14.362 -3.320 202 H LYS 39 H LYS 39 102.860 13.706 -0.568 203 HA LYS 39 HA LYS 39 102.836 16.531 -1.239 204 1HB LYS 39 1HB LYS 39 101.738 14.904 -3.073 205 2HB LYS 39 2HB LYS 39 100.357 15.090 -2.001 206 1HG LYS 39 1HG LYS 39 100.057 17.270 -2.532 207 2HG LYS 39 2HG LYS 39 101.780 17.560 -2.783 208 1HD LYS 39 1HD LYS 39 101.724 16.564 -4.935 209 2HD LYS 39 2HD LYS 39 100.109 15.907 -4.663 210 1HE LYS 39 1HE LYS 39 100.579 18.861 -4.572 211 2HE LYS 39 2HE LYS 39 100.397 18.036 -6.120 212 1HZ LYS 39 1HZ LYS 39 98.215 17.673 -5.770 213 2HZ LYS 39 2HZ LYS 39 98.353 19.002 -4.733 214 3HZ LYS 39 3HZ LYS 39 98.390 17.432 -4.105 215 H THR 40 H THR 40 102.851 14.814 1.191 216 HA THR 40 HA THR 40 100.464 15.966 2.456 217 HB THR 40 HB THR 40 101.608 13.217 2.968 218 HG1 THR 40 HG1 THR 40 99.219 14.126 1.762 219 1HG2 THR 40 1HG2 THR 40 99.118 14.344 4.198 220 2HG2 THR 40 2HG2 THR 40 100.687 14.405 5.001 221 3HG2 THR 40 3HG2 THR 40 99.964 12.848 4.596 222 H TYR 41 H TYR 41 103.507 14.333 3.268 223 HA TYR 41 HA TYR 41 103.943 16.371 5.349 224 1HB TYR 41 1HB TYR 41 103.663 13.766 5.861 225 2HB TYR 41 2HB TYR 41 105.380 13.767 5.469 226 HD1 TYR 41 HD1 TYR 41 103.279 16.259 7.289 227 HD2 TYR 41 HD2 TYR 41 106.542 13.535 7.460 228 HE1 TYR 41 HE1 TYR 41 103.791 17.026 9.569 229 HE2 TYR 41 HE2 TYR 41 107.064 14.294 9.740 230 HH TYR 41 HH TYR 41 105.631 17.084 11.122 231 H LEU 42 H LEU 42 104.683 16.542 2.544 232 HA LEU 42 HA LEU 42 107.178 17.699 2.708 233 1HB LEU 42 1HB LEU 42 107.301 14.799 2.473 234 2HB LEU 42 2HB LEU 42 108.140 15.602 1.161 235 HG LEU 42 HG LEU 42 108.691 16.446 3.975 236 1HD1 LEU 42 1HD1 LEU 42 108.812 13.908 3.747 237 2HD1 LEU 42 2HD1 LEU 42 110.246 14.738 4.347 238 3HD1 LEU 42 3HD1 LEU 42 110.182 14.191 2.672 239 1HD2 LEU 42 1HD2 LEU 42 111.021 16.583 2.788 240 2HD2 LEU 42 2HD2 LEU 42 109.806 17.833 2.522 241 3HD2 LEU 42 3HD2 LEU 42 110.043 16.564 1.320 242 HA PRO 43 HA PRO 43 105.040 18.298 -1.297 243 1HB PRO 43 1HB PRO 43 104.685 20.934 -1.142 244 2HB PRO 43 2HB PRO 43 103.657 19.823 -0.228 245 1HG PRO 43 1HG PRO 43 105.958 21.481 0.707 246 2HG PRO 43 2HG PRO 43 104.425 21.129 1.522 247 1HD PRO 43 1HD PRO 43 106.842 19.832 2.000 248 2HD PRO 43 2HD PRO 43 105.239 19.213 2.440 249 H ALA 44 H ALA 44 107.947 18.083 -0.839 250 HA ALA 44 HA ALA 44 108.794 19.758 -3.070 251 1HB ALA 44 1HB ALA 44 110.640 19.663 -0.734 252 2HB ALA 44 2HB ALA 44 109.295 20.804 -0.712 253 3HB ALA 44 3HB ALA 44 110.490 20.875 -2.007 254 H VAL 45 H VAL 45 108.390 16.806 -2.248 255 HA VAL 45 HA VAL 45 111.021 15.675 -2.499 256 HB VAL 45 HB VAL 45 108.634 14.036 -3.127 257 1HG1 VAL 45 1HG1 VAL 45 111.284 13.708 -1.879 258 2HG1 VAL 45 2HG1 VAL 45 110.406 12.643 -2.978 259 3HG1 VAL 45 3HG1 VAL 45 109.993 12.677 -1.264 260 1HG2 VAL 45 1HG2 VAL 45 108.933 15.554 -0.624 261 2HG2 VAL 45 2HG2 VAL 45 108.562 13.840 -0.438 262 3HG2 VAL 45 3HG2 VAL 45 107.488 14.879 -1.374 263 H ASP 46 H ASP 46 108.315 16.442 -4.579 264 HA ASP 46 HA ASP 46 109.236 15.060 -6.882 265 1HB ASP 46 1HB ASP 46 107.276 17.310 -6.453 266 2HB ASP 46 2HB ASP 46 107.676 16.733 -8.068 267 H GLU 47 H GLU 47 110.098 18.022 -5.350 268 HA GLU 47 HA GLU 47 111.671 18.818 -7.712 269 1HB GLU 47 1HB GLU 47 110.272 20.362 -5.592 270 2HB GLU 47 2HB GLU 47 111.790 21.017 -6.190 271 1HG GLU 47 1HG GLU 47 110.529 20.414 -8.513 272 2HG GLU 47 2HG GLU 47 109.166 20.844 -7.480 273 H LYS 48 H LYS 48 112.069 17.071 -5.048 274 HA LYS 48 HA LYS 48 114.827 18.005 -4.667 275 1HB LYS 48 1HB LYS 48 113.446 18.672 -2.727 276 2HB LYS 48 2HB LYS 48 113.008 16.988 -2.478 277 1HG LYS 48 1HG LYS 48 115.466 16.511 -2.202 278 2HG LYS 48 2HG LYS 48 115.711 18.258 -2.165 279 1HD LYS 48 1HD LYS 48 113.588 17.364 -0.377 280 2HD LYS 48 2HD LYS 48 115.158 16.655 0.006 281 1HE LYS 48 1HE LYS 48 114.676 19.604 -0.390 282 2HE LYS 48 2HE LYS 48 114.685 18.804 1.181 283 1HZ LYS 48 1HZ LYS 48 116.839 19.901 0.056 284 2HZ LYS 48 2HZ LYS 48 117.008 18.305 -0.478 285 3HZ LYS 48 3HZ LYS 48 116.910 18.636 1.177 286 H LEU 49 H LEU 49 112.566 15.284 -4.228 287 HA LEU 49 HA LEU 49 114.717 13.373 -4.083 288 1HB LEU 49 1HB LEU 49 112.684 12.909 -2.890 289 2HB LEU 49 2HB LEU 49 111.736 13.042 -4.358 290 HG LEU 49 HG LEU 49 113.839 10.997 -4.476 291 1HD1 LEU 49 1HD1 LEU 49 111.462 10.374 -2.763 292 2HD1 LEU 49 2HD1 LEU 49 112.962 10.978 -2.060 293 3HD1 LEU 49 3HD1 LEU 49 112.959 9.463 -2.964 294 1HD2 LEU 49 1HD2 LEU 49 112.453 10.706 -6.226 295 2HD2 LEU 49 2HD2 LEU 49 111.088 11.465 -5.408 296 3HD2 LEU 49 3HD2 LEU 49 111.500 9.785 -5.062 297 H ARG 50 H ARG 50 113.512 15.105 -6.612 298 HA ARG 50 HA ARG 50 114.007 12.933 -8.534 299 1HB ARG 50 1HB ARG 50 111.874 14.804 -8.334 300 2HB ARG 50 2HB ARG 50 112.778 15.183 -9.793 301 1HG ARG 50 1HG ARG 50 112.607 12.641 -10.262 302 2HG ARG 50 2HG ARG 50 111.292 12.691 -9.086 303 1HD ARG 50 1HD ARG 50 110.795 14.851 -10.751 304 2HD ARG 50 2HD ARG 50 111.355 13.586 -11.845 305 HE ARG 50 HE ARG 50 109.533 12.315 -10.296 306 1HH1 ARG 50 1HH1 ARG 50 109.440 15.242 -12.193 307 2HH1 ARG 50 2HH1 ARG 50 107.749 15.109 -12.545 308 1HH2 ARG 50 1HH2 ARG 50 107.310 12.138 -10.757 309 2HH2 ARG 50 2HH2 ARG 50 106.540 13.346 -11.730 310 H ASP 51 H ASP 51 115.133 15.974 -7.378 311 HA ASP 51 HA ASP 51 117.125 15.991 -9.531 312 1HB ASP 51 1HB ASP 51 115.257 18.174 -8.780 313 2HB ASP 51 2HB ASP 51 116.913 18.635 -9.160 314 H LEU 52 H LEU 52 116.256 17.151 -6.298 315 HA LEU 52 HA LEU 52 119.008 17.851 -5.730 316 1HB LEU 52 1HB LEU 52 116.636 18.816 -4.819 317 2HB LEU 52 2HB LEU 52 117.089 17.752 -3.500 318 HG LEU 52 HG LEU 52 119.053 19.757 -4.551 319 1HD1 LEU 52 1HD1 LEU 52 118.115 21.524 -3.514 320 2HD1 LEU 52 2HD1 LEU 52 117.432 20.539 -2.220 321 3HD1 LEU 52 3HD1 LEU 52 116.624 20.622 -3.786 322 1HD2 LEU 52 1HD2 LEU 52 118.608 18.368 -1.916 323 2HD2 LEU 52 2HD2 LEU 52 119.778 19.666 -2.157 324 3HD2 LEU 52 3HD2 LEU 52 119.949 18.147 -3.038 325 H TYR 53 H TYR 53 117.868 14.979 -6.134 326 HA TYR 53 HA TYR 53 119.380 13.829 -3.912 327 1HB TYR 53 1HB TYR 53 116.608 13.721 -4.094 328 2HB TYR 53 2HB TYR 53 117.138 12.160 -4.702 329 HD1 TYR 53 HD1 TYR 53 117.942 14.478 -1.879 330 HD2 TYR 53 HD2 TYR 53 117.313 10.464 -3.142 331 HE1 TYR 53 HE1 TYR 53 118.249 13.709 0.436 332 HE2 TYR 53 HE2 TYR 53 117.617 9.684 -0.828 333 HH TYR 53 HH TYR 53 117.263 11.074 1.644 334 H SER 54 H SER 54 117.849 13.284 -7.057 335 HA SER 54 HA SER 54 118.390 11.948 -8.816 336 1HB SER 54 1HB SER 54 121.250 12.253 -7.915 337 2HB SER 54 2HB SER 54 120.644 12.063 -9.560 338 HG SER 54 HG SER 54 120.883 14.181 -9.484 339 H LYS 55 H LYS 55 117.650 10.517 -6.545 340 HA LYS 55 HA LYS 55 117.718 8.438 -5.600 341 1HB LYS 55 1HB LYS 55 119.060 7.739 -8.220 342 2HB LYS 55 2HB LYS 55 118.320 6.596 -7.106 343 1HG LYS 55 1HG LYS 55 116.145 7.710 -7.466 344 2HG LYS 55 2HG LYS 55 116.914 8.759 -8.658 345 1HD LYS 55 1HD LYS 55 116.248 7.180 -10.119 346 2HD LYS 55 2HD LYS 55 117.682 6.320 -9.553 347 1HE LYS 55 1HE LYS 55 115.257 5.954 -7.925 348 2HE LYS 55 2HE LYS 55 115.182 5.284 -9.554 349 1HZ LYS 55 1HZ LYS 55 116.926 4.539 -7.315 350 2HZ LYS 55 2HZ LYS 55 117.501 4.331 -8.893 351 3HZ LYS 55 3HZ LYS 55 116.085 3.549 -8.400 352 H SER 56 H SER 56 120.112 10.287 -5.367 353 HA SER 56 HA SER 56 122.497 8.843 -5.316 354 1HB SER 56 1HB SER 56 121.505 11.245 -3.810 355 2HB SER 56 2HB SER 56 123.068 10.536 -3.409 356 HG SER 56 HG SER 56 123.811 11.595 -5.051 357 H THR 57 H THR 57 120.268 9.511 -2.635 358 HA THR 57 HA THR 57 121.091 6.976 -1.423 359 HB THR 57 HB THR 57 122.198 8.948 -0.344 360 HG1 THR 57 HG1 THR 57 121.725 6.935 0.755 361 1HG2 THR 57 1HG2 THR 57 121.066 10.480 0.972 362 2HG2 THR 57 2HG2 THR 57 119.573 9.542 0.945 363 3HG2 THR 57 3HG2 THR 57 120.099 10.403 -0.501 364 H ALA 58 H ALA 58 118.702 8.122 -2.946 365 HA ALA 58 HA ALA 58 116.525 8.036 -1.085 366 1HB ALA 58 1HB ALA 58 115.577 7.487 -3.695 367 2HB ALA 58 2HB ALA 58 116.871 8.675 -3.847 368 3HB ALA 58 3HB ALA 58 115.491 9.006 -2.803 369 H ALA 59 H ALA 59 117.855 5.846 -3.523 370 HA ALA 59 HA ALA 59 116.111 3.682 -2.763 371 1HB ALA 59 1HB ALA 59 118.575 3.604 -4.504 372 2HB ALA 59 2HB ALA 59 116.948 3.963 -5.079 373 3HB ALA 59 3HB ALA 59 117.313 2.377 -4.401 374 H MET 60 H MET 60 119.088 4.966 -1.659 375 HA MET 60 HA MET 60 119.968 2.462 -0.465 376 1HB MET 60 1HB MET 60 121.404 4.477 -1.473 377 2HB MET 60 2HB MET 60 121.290 5.045 0.186 378 1HG MET 60 1HG MET 60 122.149 2.244 -0.363 379 2HG MET 60 2HG MET 60 123.292 3.572 -0.560 380 1HE MET 60 1HE MET 60 124.859 4.234 1.532 381 2HE MET 60 2HE MET 60 124.865 2.547 1.019 382 3HE MET 60 3HE MET 60 124.834 2.947 2.737 383 H SER 61 H SER 61 118.141 5.266 0.367 384 HA SER 61 HA SER 61 118.474 4.825 3.229 385 1HB SER 61 1HB SER 61 117.034 6.829 3.472 386 2HB SER 61 2HB SER 61 118.454 7.137 2.473 387 HG SER 61 HG SER 61 117.166 7.012 0.648 388 H THR 62 H THR 62 116.961 3.026 1.223 389 HA THR 62 HA THR 62 114.306 3.067 2.423 390 HB THR 62 HB THR 62 114.693 0.878 0.616 391 HG1 THR 62 HG1 THR 62 116.282 1.938 -0.434 392 1HG2 THR 62 1HG2 THR 62 112.660 1.467 -0.011 393 2HG2 THR 62 2HG2 THR 62 113.220 3.056 -0.532 394 3HG2 THR 62 3HG2 THR 62 112.744 2.795 1.145 395 H TYR 63 H TYR 63 117.310 1.539 2.775 396 HA TYR 63 HA TYR 63 116.791 -1.039 3.513 397 1HB TYR 63 1HB TYR 63 118.810 0.975 4.277 398 2HB TYR 63 2HB TYR 63 118.610 -0.365 5.397 399 HD1 TYR 63 HD1 TYR 63 118.596 -0.101 1.667 400 HD2 TYR 63 HD2 TYR 63 120.290 -1.920 5.120 401 HE1 TYR 63 HE1 TYR 63 120.009 -1.507 0.226 402 HE2 TYR 63 HE2 TYR 63 121.708 -3.330 3.689 403 HH TYR 63 HH TYR 63 122.060 -2.773 0.327 404 H THR 64 H THR 64 115.931 1.885 5.171 405 HA THR 64 HA THR 64 115.533 1.049 7.765 406 HB THR 64 HB THR 64 113.404 2.703 6.477 407 HG1 THR 64 HG1 THR 64 114.899 3.839 5.538 408 1HG2 THR 64 1HG2 THR 64 113.531 2.365 8.950 409 2HG2 THR 64 2HG2 THR 64 113.554 4.046 8.419 410 3HG2 THR 64 3HG2 THR 64 115.050 3.259 8.925 411 H GLY 65 H GLY 65 113.775 0.180 4.892 412 1HA GLY 65 1HA GLY 65 111.822 -1.294 6.545 413 2HA GLY 65 2HA GLY 65 111.523 -0.747 4.903 414 H ILE 66 H ILE 66 114.588 -1.758 4.699 415 HA ILE 66 HA ILE 66 113.766 -4.460 3.895 416 HB ILE 66 HB ILE 66 116.316 -3.117 3.064 417 1HG1 ILE 66 1HG1 ILE 66 113.650 -2.949 1.643 418 2HG1 ILE 66 2HG1 ILE 66 114.443 -1.617 2.478 419 1HG2 ILE 66 1HG2 ILE 66 115.832 -5.615 2.756 420 2HG2 ILE 66 2HG2 ILE 66 116.398 -4.707 1.355 421 3HG2 ILE 66 3HG2 ILE 66 114.687 -5.102 1.517 422 1HD1 ILE 66 1HD1 ILE 66 114.969 -1.234 0.267 423 2HD1 ILE 66 2HD1 ILE 66 115.185 -2.948 -0.087 424 3HD1 ILE 66 3HD1 ILE 66 116.397 -2.083 0.858 425 H PHE 67 H PHE 67 115.522 -2.800 6.266 426 HA PHE 67 HA PHE 67 117.766 -4.233 6.814 427 1HB PHE 67 1HB PHE 67 115.947 -2.591 8.321 428 2HB PHE 67 2HB PHE 67 116.491 -3.934 9.320 429 HD1 PHE 67 HD1 PHE 67 117.400 -0.816 7.736 430 HD2 PHE 67 HD2 PHE 67 118.907 -4.249 9.749 431 HE1 PHE 67 HE1 PHE 67 119.514 0.368 8.165 432 HE2 PHE 67 HE2 PHE 67 121.024 -3.072 10.181 433 HZ PHE 67 HZ PHE 67 121.330 -0.760 9.389 434 H THR 68 H THR 68 114.463 -5.288 7.188 435 HA THR 68 HA THR 68 115.377 -7.822 8.354 436 HB THR 68 HB THR 68 112.528 -6.861 8.077 437 HG1 THR 68 HG1 THR 68 114.336 -6.546 10.235 438 1HG2 THR 68 1HG2 THR 68 113.762 -8.942 9.864 439 2HG2 THR 68 2HG2 THR 68 112.697 -9.236 8.489 440 3HG2 THR 68 3HG2 THR 68 112.083 -8.404 9.919 441 H ASP 69 H ASP 69 113.993 -6.379 5.526 442 HA ASP 69 HA ASP 69 112.989 -8.773 4.351 443 1HB ASP 69 1HB ASP 69 112.696 -6.133 3.782 444 2HB ASP 69 2HB ASP 69 113.861 -6.599 2.547 445 H GLN 70 H GLN 70 116.049 -7.038 4.233 446 HA GLN 70 HA GLN 70 117.240 -8.542 2.162 447 1HB GLN 70 1HB GLN 70 118.169 -6.668 4.260 448 2HB GLN 70 2HB GLN 70 119.380 -7.772 3.622 449 1HG GLN 70 1HG GLN 70 118.376 -6.935 1.316 450 2HG GLN 70 2HG GLN 70 117.964 -5.534 2.303 451 1HE2 GLN 70 1HE2 GLN 70 119.808 -5.628 0.119 452 2HE2 GLN 70 2HE2 GLN 70 121.362 -5.200 0.743 453 H VAL 71 H VAL 71 116.857 -9.080 5.594 454 HA VAL 71 HA VAL 71 118.690 -11.320 5.639 455 HB VAL 71 HB VAL 71 116.780 -10.291 7.735 456 1HG1 VAL 71 1HG1 VAL 71 118.975 -12.351 7.933 457 2HG1 VAL 71 2HG1 VAL 71 117.245 -12.631 8.125 458 3HG1 VAL 71 3HG1 VAL 71 118.117 -11.656 9.308 459 1HG2 VAL 71 1HG2 VAL 71 118.431 -8.961 8.550 460 2HG2 VAL 71 2HG2 VAL 71 118.919 -8.973 6.856 461 3HG2 VAL 71 3HG2 VAL 71 119.718 -10.040 8.010 462 H LEU 72 H LEU 72 115.194 -10.785 5.832 463 HA LEU 72 HA LEU 72 114.403 -13.437 6.219 464 1HB LEU 72 1HB LEU 72 113.150 -10.924 5.502 465 2HB LEU 72 2HB LEU 72 112.418 -12.264 4.640 466 HG LEU 72 HG LEU 72 112.796 -12.350 7.620 467 1HD1 LEU 72 1HD1 LEU 72 111.443 -10.546 7.687 468 2HD1 LEU 72 2HD1 LEU 72 110.192 -11.748 7.375 469 3HD1 LEU 72 3HD1 LEU 72 110.848 -10.794 6.045 470 1HD2 LEU 72 1HD2 LEU 72 111.484 -14.195 7.570 471 2HD2 LEU 72 2HD2 LEU 72 112.118 -14.308 5.928 472 3HD2 LEU 72 3HD2 LEU 72 110.523 -13.611 6.212 473 H SER 73 H SER 73 115.538 -11.800 3.385 474 HA SER 73 HA SER 73 114.510 -13.716 1.511 475 1HB SER 73 1HB SER 73 116.659 -11.610 1.176 476 2HB SER 73 2HB SER 73 115.914 -12.530 -0.132 477 HG SER 73 HG SER 73 115.069 -10.276 0.899 478 H VAL 74 H VAL 74 117.328 -13.425 3.495 479 HA VAL 74 HA VAL 74 119.147 -14.998 2.073 480 HB VAL 74 HB VAL 74 118.822 -14.722 5.066 481 1HG1 VAL 74 1HG1 VAL 74 120.790 -16.183 3.404 482 2HG1 VAL 74 2HG1 VAL 74 120.218 -16.513 5.040 483 3HG1 VAL 74 3HG1 VAL 74 121.424 -15.255 4.763 484 1HG2 VAL 74 1HG2 VAL 74 119.250 -12.587 4.213 485 2HG2 VAL 74 2HG2 VAL 74 120.369 -13.200 2.995 486 3HG2 VAL 74 3HG2 VAL 74 120.837 -13.186 4.695 487 H LEU 75 H LEU 75 116.385 -15.872 4.024 488 HA LEU 75 HA LEU 75 116.937 -18.559 4.516 489 1HB LEU 75 1HB LEU 75 114.888 -16.948 5.128 490 2HB LEU 75 2HB LEU 75 114.155 -17.813 3.789 491 HG LEU 75 HG LEU 75 115.459 -19.419 5.931 492 1HD1 LEU 75 1HD1 LEU 75 114.277 -18.281 7.485 493 2HD1 LEU 75 2HD1 LEU 75 112.969 -19.311 6.906 494 3HD1 LEU 75 3HD1 LEU 75 113.119 -17.657 6.311 495 1HD2 LEU 75 1HD2 LEU 75 114.544 -20.531 3.982 496 2HD2 LEU 75 2HD2 LEU 75 112.982 -19.754 4.242 497 3HD2 LEU 75 3HD2 LEU 75 113.589 -20.929 5.410 498 H LYS 76 H LYS 76 116.133 -16.929 1.585 499 HA LYS 76 HA LYS 76 116.577 -19.329 0.067 500 1HB LYS 76 1HB LYS 76 113.860 -18.053 0.214 501 2HB LYS 76 2HB LYS 76 114.377 -18.884 -1.246 502 1HG LYS 76 1HG LYS 76 113.523 -20.709 -0.305 503 2HG LYS 76 2HG LYS 76 114.973 -20.709 0.701 504 1HD LYS 76 1HD LYS 76 113.111 -20.906 2.167 505 2HD LYS 76 2HD LYS 76 113.716 -19.255 2.326 506 1HE LYS 76 1HE LYS 76 111.880 -19.025 0.304 507 2HE LYS 76 2HE LYS 76 111.138 -20.231 1.352 508 1HZ LYS 76 1HZ LYS 76 110.382 -18.377 2.367 509 2HZ LYS 76 2HZ LYS 76 111.672 -17.412 1.854 510 3HZ LYS 76 3HZ LYS 76 111.873 -18.462 3.164 511 H GLY 77 H GLY 77 118.036 -18.612 -1.293 512 1HA GLY 77 1HA GLY 77 118.398 -17.458 -3.401 513 2HA GLY 77 2HA GLY 77 117.479 -16.107 -2.749 514 H GLU 78 H GLU 78 119.158 -17.036 -0.179 515 HA GLU 78 HA GLU 78 120.842 -16.008 0.972 516 1HB GLU 78 1HB GLU 78 121.964 -17.821 -0.278 517 2HB GLU 78 2HB GLU 78 122.330 -16.683 -1.566 518 1HG GLU 78 1HG GLU 78 123.988 -15.675 -0.397 519 2HG GLU 78 2HG GLU 78 123.205 -15.944 1.159 520 H GLU 79 H GLU 79 119.213 -14.205 -0.615 521 HA GLU 79 HA GLU 79 119.177 -12.090 -1.484 522 1HB GLU 79 1HB GLU 79 119.676 -11.749 0.908 523 2HB GLU 79 2HB GLU 79 121.394 -11.758 0.538 524 1HG GLU 79 1HG GLU 79 120.572 -9.840 -1.153 525 2HG GLU 79 2HG GLU 79 119.375 -9.654 0.128 Start of MODEL 5 1 H THR 13 H THR 13 78.275 -7.845 -11.578 2 HA THR 13 HA THR 13 78.019 -5.540 -10.710 3 HB THR 13 HB THR 13 79.948 -4.702 -9.438 4 HG1 THR 13 HG1 THR 13 81.582 -6.063 -9.873 5 1HG2 THR 13 1HG2 THR 13 77.879 -5.808 -8.307 6 2HG2 THR 13 2HG2 THR 13 79.297 -5.375 -7.350 7 3HG2 THR 13 3HG2 THR 13 79.046 -7.049 -7.847 8 H PHE 14 H PHE 14 78.748 -4.092 -12.172 9 HA PHE 14 HA PHE 14 80.835 -5.022 -14.028 10 1HB PHE 14 1HB PHE 14 78.274 -4.355 -14.646 11 2HB PHE 14 2HB PHE 14 79.073 -2.803 -14.869 12 HD1 PHE 14 HD1 PHE 14 78.476 -6.067 -16.233 13 HD2 PHE 14 HD2 PHE 14 81.014 -2.657 -16.456 14 HE1 PHE 14 HE1 PHE 14 79.250 -6.792 -18.454 15 HE2 PHE 14 HE2 PHE 14 81.791 -3.376 -18.678 16 HZ PHE 14 HZ PHE 14 80.909 -5.446 -19.679 17 H LEU 15 H LEU 15 79.658 -2.316 -12.134 18 HA LEU 15 HA LEU 15 81.842 -0.598 -12.947 19 1HB LEU 15 1HB LEU 15 80.849 1.062 -11.521 20 2HB LEU 15 2HB LEU 15 79.588 0.310 -12.481 21 HG LEU 15 HG LEU 15 79.337 -1.216 -10.328 22 1HD1 LEU 15 1HD1 LEU 15 79.592 0.414 -8.342 23 2HD1 LEU 15 2HD1 LEU 15 80.756 1.242 -9.376 24 3HD1 LEU 15 3HD1 LEU 15 81.016 -0.445 -8.928 25 1HD2 LEU 15 1HD2 LEU 15 77.689 0.514 -9.469 26 2HD2 LEU 15 2HD2 LEU 15 77.496 0.002 -11.146 27 3HD2 LEU 15 3HD2 LEU 15 78.254 1.551 -10.778 28 H THR 16 H THR 16 81.051 -2.784 -10.367 29 HA THR 16 HA THR 16 83.028 -1.816 -8.531 30 HB THR 16 HB THR 16 81.732 -4.545 -8.573 31 HG1 THR 16 HG1 THR 16 80.151 -2.901 -8.595 32 1HG2 THR 16 1HG2 THR 16 82.181 -4.706 -6.298 33 2HG2 THR 16 2HG2 THR 16 82.548 -2.987 -6.154 34 3HG2 THR 16 3HG2 THR 16 83.672 -4.062 -6.985 35 H GLN 17 H GLN 17 82.969 -4.099 -11.166 36 HA GLN 17 HA GLN 17 85.292 -5.542 -10.508 37 1HB GLN 17 1HB GLN 17 84.922 -6.621 -12.454 38 2HB GLN 17 2HB GLN 17 83.426 -5.703 -12.497 39 1HG GLN 17 1HG GLN 17 84.288 -4.157 -14.030 40 2HG GLN 17 2HG GLN 17 85.952 -4.667 -13.738 41 1HE2 GLN 17 1HE2 GLN 17 86.310 -5.031 -15.926 42 2HE2 GLN 17 2HE2 GLN 17 85.640 -6.391 -16.755 43 H VAL 18 H VAL 18 84.843 -2.706 -12.624 44 HA VAL 18 HA VAL 18 87.575 -2.346 -13.214 45 HB VAL 18 HB VAL 18 85.803 0.046 -13.009 46 1HG1 VAL 18 1HG1 VAL 18 87.109 0.903 -14.668 47 2HG1 VAL 18 2HG1 VAL 18 87.413 -0.674 -15.398 48 3HG1 VAL 18 3HG1 VAL 18 88.264 -0.204 -13.926 49 1HG2 VAL 18 1HG2 VAL 18 84.187 -1.340 -13.957 50 2HG2 VAL 18 2HG2 VAL 18 85.377 -2.261 -14.876 51 3HG2 VAL 18 3HG2 VAL 18 84.968 -0.617 -15.363 52 H LYS 19 H LYS 19 85.527 -1.294 -10.574 53 HA LYS 19 HA LYS 19 87.186 0.602 -9.394 54 1HB LYS 19 1HB LYS 19 84.871 -0.950 -8.629 55 2HB LYS 19 2HB LYS 19 85.997 -0.835 -7.284 56 1HG LYS 19 1HG LYS 19 85.456 1.677 -8.724 57 2HG LYS 19 2HG LYS 19 84.106 0.994 -7.815 58 1HD LYS 19 1HD LYS 19 86.853 1.464 -6.664 59 2HD LYS 19 2HD LYS 19 85.515 2.606 -6.524 60 1HE LYS 19 1HE LYS 19 84.317 0.350 -5.660 61 2HE LYS 19 2HE LYS 19 85.975 0.037 -5.149 62 1HZ LYS 19 1HZ LYS 19 85.832 2.409 -4.196 63 2HZ LYS 19 2HZ LYS 19 85.080 1.149 -3.356 64 3HZ LYS 19 3HZ LYS 19 84.157 2.198 -4.309 65 H GLU 20 H GLU 20 87.440 -2.843 -9.590 66 HA GLU 20 HA GLU 20 89.360 -3.101 -7.455 67 1HB GLU 20 1HB GLU 20 88.756 -5.037 -9.697 68 2HB GLU 20 2HB GLU 20 89.586 -5.400 -8.190 69 1HG GLU 20 1HG GLU 20 87.380 -4.583 -7.089 70 2HG GLU 20 2HG GLU 20 86.689 -4.893 -8.681 71 H SER 21 H SER 21 89.402 -2.309 -10.805 72 HA SER 21 HA SER 21 92.272 -2.769 -11.048 73 1HB SER 21 1HB SER 21 90.058 -2.782 -12.849 74 2HB SER 21 2HB SER 21 91.201 -1.550 -13.371 75 HG SER 21 HG SER 21 91.404 -4.040 -13.892 76 H LEU 22 H LEU 22 89.928 -0.110 -11.599 77 HA LEU 22 HA LEU 22 91.870 1.890 -11.962 78 1HB LEU 22 1HB LEU 22 90.056 3.483 -11.487 79 2HB LEU 22 2HB LEU 22 89.579 2.246 -12.634 80 HG LEU 22 HG LEU 22 88.733 1.116 -10.324 81 1HD1 LEU 22 1HD1 LEU 22 87.920 3.950 -9.913 82 2HD1 LEU 22 2HD1 LEU 22 89.472 3.403 -9.278 83 3HD1 LEU 22 3HD1 LEU 22 87.980 2.615 -8.764 84 1HD2 LEU 22 1HD2 LEU 22 86.679 1.330 -11.242 85 2HD2 LEU 22 2HD2 LEU 22 87.603 1.926 -12.621 86 3HD2 LEU 22 3HD2 LEU 22 86.856 3.066 -11.501 87 H SER 23 H SER 23 90.838 0.242 -9.166 88 HA SER 23 HA SER 23 92.166 2.237 -7.454 89 1HB SER 23 1HB SER 23 90.604 1.940 -5.827 90 2HB SER 23 2HB SER 23 89.604 1.410 -7.179 91 HG SER 23 HG SER 23 89.456 -0.380 -6.093 92 H SER 24 H SER 24 92.721 -0.636 -8.933 93 HA SER 24 HA SER 24 93.711 -2.299 -6.917 94 1HB SER 24 1HB SER 24 93.670 -2.289 -9.757 95 2HB SER 24 2HB SER 24 95.333 -2.589 -9.258 96 HG SER 24 HG SER 24 94.761 -4.460 -8.437 97 H TYR 25 H TYR 25 94.961 0.627 -8.178 98 HA TYR 25 HA TYR 25 97.627 0.104 -7.101 99 1HB TYR 25 1HB TYR 25 96.493 2.292 -8.839 100 2HB TYR 25 2HB TYR 25 98.068 2.451 -8.067 101 HD1 TYR 25 HD1 TYR 25 99.923 1.807 -9.280 102 HD2 TYR 25 HD2 TYR 25 96.174 0.005 -10.168 103 HE1 TYR 25 HE1 TYR 25 100.961 0.580 -11.139 104 HE2 TYR 25 HE2 TYR 25 97.202 -1.230 -12.030 105 HH TYR 25 HH TYR 25 100.198 -0.476 -13.304 106 H TRP 26 H TRP 26 94.668 1.489 -6.253 107 HA TRP 26 HA TRP 26 95.832 3.288 -4.268 108 1HB TRP 26 1HB TRP 26 93.864 4.057 -5.569 109 2HB TRP 26 2HB TRP 26 92.925 2.719 -4.914 110 HD1 TRP 26 HD1 TRP 26 92.936 2.775 -2.013 111 HE1 TRP 26 HE1 TRP 26 92.428 4.826 -0.551 112 HE3 TRP 26 HE3 TRP 26 93.855 6.460 -5.436 113 HZ2 TRP 26 HZ2 TRP 26 92.416 7.639 -0.810 114 HZ3 TRP 26 HZ3 TRP 26 93.570 8.805 -4.748 115 HH2 TRP 26 HH2 TRP 26 92.866 9.380 -2.483 116 H GLU 27 H GLU 27 94.372 0.181 -4.632 117 HA GLU 27 HA GLU 27 93.943 -0.183 -1.790 118 1HB GLU 27 1HB GLU 27 92.699 -1.248 -3.938 119 2HB GLU 27 2HB GLU 27 93.867 -2.520 -3.607 120 1HG GLU 27 1HG GLU 27 92.078 -1.410 -1.473 121 2HG GLU 27 2HG GLU 27 91.571 -2.721 -2.537 122 H SER 28 H SER 28 96.405 -0.712 -4.126 123 HA SER 28 HA SER 28 97.814 -2.722 -2.626 124 1HB SER 28 1HB SER 28 97.876 -2.230 -5.196 125 2HB SER 28 2HB SER 28 99.079 -1.024 -4.751 126 HG SER 28 HG SER 28 99.302 -3.738 -4.879 127 H ALA 29 H ALA 29 98.149 0.728 -3.250 128 HA ALA 29 HA ALA 29 100.501 1.265 -1.907 129 1HB ALA 29 1HB ALA 29 99.853 3.506 -1.849 130 2HB ALA 29 2HB ALA 29 98.145 3.106 -1.671 131 3HB ALA 29 3HB ALA 29 98.952 2.854 -3.218 132 H LYS 30 H LYS 30 97.363 0.467 -0.647 133 HA LYS 30 HA LYS 30 98.074 1.174 2.077 134 1HB LYS 30 1HB LYS 30 95.695 1.150 0.810 135 2HB LYS 30 2HB LYS 30 95.656 -0.452 1.533 136 1HG LYS 30 1HG LYS 30 94.635 0.840 3.141 137 2HG LYS 30 2HG LYS 30 96.303 0.785 3.714 138 1HD LYS 30 1HD LYS 30 96.078 3.022 3.844 139 2HD LYS 30 2HD LYS 30 96.385 2.966 2.106 140 1HE LYS 30 1HE LYS 30 93.585 2.550 2.910 141 2HE LYS 30 2HE LYS 30 94.233 4.155 3.244 142 1HZ LYS 30 1HZ LYS 30 93.782 2.830 0.671 143 2HZ LYS 30 2HZ LYS 30 95.070 3.919 0.789 144 3HZ LYS 30 3HZ LYS 30 93.495 4.436 1.123 145 H THR 31 H THR 31 97.945 -1.641 0.009 146 HA THR 31 HA THR 31 98.075 -3.578 2.099 147 HB THR 31 HB THR 31 98.639 -5.166 0.320 148 HG1 THR 31 HG1 THR 31 99.997 -3.752 -0.888 149 1HG2 THR 31 1HG2 THR 31 96.469 -5.192 -0.091 150 2HG2 THR 31 2HG2 THR 31 96.761 -4.023 -1.379 151 3HG2 THR 31 3HG2 THR 31 96.326 -3.465 0.237 152 H ALA 32 H ALA 32 100.429 -1.697 0.335 153 HA ALA 32 HA ALA 32 102.605 -3.135 1.698 154 1HB ALA 32 1HB ALA 32 102.425 -2.634 -0.922 155 2HB ALA 32 2HB ALA 32 103.964 -2.732 -0.067 156 3HB ALA 32 3HB ALA 32 103.243 -1.159 -0.406 157 H ALA 33 H ALA 33 100.758 -0.887 2.681 158 HA ALA 33 HA ALA 33 102.744 1.185 3.244 159 1HB ALA 33 1HB ALA 33 100.645 2.232 4.391 160 2HB ALA 33 2HB ALA 33 99.767 1.047 3.427 161 3HB ALA 33 3HB ALA 33 100.789 2.245 2.634 162 H GLN 34 H GLN 34 100.457 -0.921 4.975 163 HA GLN 34 HA GLN 34 101.282 -0.271 7.567 164 1HB GLN 34 1HB GLN 34 99.787 -2.501 6.311 165 2HB GLN 34 2HB GLN 34 100.467 -2.813 7.902 166 1HG GLN 34 1HG GLN 34 99.196 -0.276 7.965 167 2HG GLN 34 2HG GLN 34 98.089 -1.435 7.232 168 1HE2 GLN 34 1HE2 GLN 34 96.737 -2.192 8.681 169 2HE2 GLN 34 2HE2 GLN 34 97.118 -2.626 10.309 170 H ASN 35 H ASN 35 102.770 -2.198 5.140 171 HA ASN 35 HA ASN 35 104.428 -3.741 6.898 172 1HB ASN 35 1HB ASN 35 103.699 -4.186 4.407 173 2HB ASN 35 2HB ASN 35 105.130 -3.234 4.035 174 1HD2 ASN 35 1HD2 ASN 35 105.074 -5.752 3.162 175 2HD2 ASN 35 2HD2 ASN 35 106.140 -6.754 4.080 176 H LEU 36 H LEU 36 105.246 -1.261 4.475 177 HA LEU 36 HA LEU 36 107.846 -0.794 5.388 178 1HB LEU 36 1HB LEU 36 107.822 1.189 4.035 179 2HB LEU 36 2HB LEU 36 106.973 -0.088 3.186 180 HG LEU 36 HG LEU 36 104.854 1.044 4.296 181 1HD1 LEU 36 1HD1 LEU 36 105.473 3.624 3.981 182 2HD1 LEU 36 2HD1 LEU 36 107.019 3.034 4.590 183 3HD1 LEU 36 3HD1 LEU 36 105.550 2.801 5.538 184 1HD2 LEU 36 1HD2 LEU 36 105.588 0.786 1.837 185 2HD2 LEU 36 2HD2 LEU 36 106.098 2.468 1.974 186 3HD2 LEU 36 3HD2 LEU 36 104.410 2.035 2.242 187 H TYR 37 H TYR 37 104.772 0.510 6.428 188 HA TYR 37 HA TYR 37 105.822 2.663 7.957 189 1HB TYR 37 1HB TYR 37 103.176 1.267 7.817 190 2HB TYR 37 2HB TYR 37 103.495 2.394 9.130 191 HD1 TYR 37 HD1 TYR 37 101.687 2.306 6.375 192 HD2 TYR 37 HD2 TYR 37 105.010 4.517 7.848 193 HE1 TYR 37 HE1 TYR 37 101.085 4.181 4.904 194 HE2 TYR 37 HE2 TYR 37 104.417 6.399 6.380 195 HH TYR 37 HH TYR 37 103.178 6.842 4.365 196 H GLU 38 H GLU 38 105.893 -0.669 8.447 197 HA GLU 38 HA GLU 38 105.868 -0.526 11.347 198 1HB GLU 38 1HB GLU 38 105.039 -2.470 9.727 199 2HB GLU 38 2HB GLU 38 106.708 -2.993 9.907 200 1HG GLU 38 1HG GLU 38 105.829 -4.119 11.650 201 2HG GLU 38 2HG GLU 38 106.133 -2.590 12.474 202 H LYS 39 H LYS 39 108.155 -0.701 8.723 203 HA LYS 39 HA LYS 39 110.368 -1.107 10.598 204 1HB LYS 39 1HB LYS 39 110.368 -1.059 7.575 205 2HB LYS 39 2HB LYS 39 111.752 -1.433 8.593 206 1HG LYS 39 1HG LYS 39 110.700 -3.431 9.395 207 2HG LYS 39 2HG LYS 39 109.198 -3.024 8.564 208 1HD LYS 39 1HD LYS 39 110.742 -2.992 6.445 209 2HD LYS 39 2HD LYS 39 111.785 -4.003 7.445 210 1HE LYS 39 1HE LYS 39 109.601 -5.351 7.878 211 2HE LYS 39 2HE LYS 39 109.032 -4.550 6.414 212 1HZ LYS 39 1HZ LYS 39 111.659 -5.824 6.314 213 2HZ LYS 39 2HZ LYS 39 110.472 -5.697 5.115 214 3HZ LYS 39 3HZ LYS 39 110.307 -6.842 6.349 215 H THR 40 H THR 40 108.706 1.453 9.996 216 HA THR 40 HA THR 40 111.055 3.201 9.775 217 HB THR 40 HB THR 40 109.794 3.204 7.640 218 HG1 THR 40 HG1 THR 40 110.878 5.115 8.527 219 1HG2 THR 40 1HG2 THR 40 107.596 4.779 8.817 220 2HG2 THR 40 2HG2 THR 40 107.523 3.028 9.014 221 3HG2 THR 40 3HG2 THR 40 107.616 3.730 7.400 222 H TYR 41 H TYR 41 107.796 2.730 10.984 223 HA TYR 41 HA TYR 41 108.042 5.073 12.712 224 1HB TYR 41 1HB TYR 41 105.927 4.476 11.361 225 2HB TYR 41 2HB TYR 41 105.661 3.240 12.586 226 HD1 TYR 41 HD1 TYR 41 106.534 6.879 12.468 227 HD2 TYR 41 HD2 TYR 41 104.220 3.808 14.288 228 HE1 TYR 41 HE1 TYR 41 105.457 8.553 13.912 229 HE2 TYR 41 HE2 TYR 41 103.136 5.474 15.736 230 HH TYR 41 HH TYR 41 103.524 7.690 16.605 231 H LEU 42 H LEU 42 109.683 2.725 13.153 232 HA LEU 42 HA LEU 42 108.728 1.092 15.219 233 1HB LEU 42 1HB LEU 42 111.396 1.836 14.155 234 2HB LEU 42 2HB LEU 42 111.355 1.131 15.759 235 HG LEU 42 HG LEU 42 110.137 -0.171 13.326 236 1HD1 LEU 42 1HD1 LEU 42 112.062 -1.335 12.940 237 2HD1 LEU 42 2HD1 LEU 42 112.629 -1.168 14.603 238 3HD1 LEU 42 3HD1 LEU 42 112.740 0.197 13.492 239 1HD2 LEU 42 1HD2 LEU 42 110.692 -1.143 16.124 240 2HD2 LEU 42 2HD2 LEU 42 110.215 -2.185 14.784 241 3HD2 LEU 42 3HD2 LEU 42 109.117 -0.930 15.359 242 HA PRO 43 HA PRO 43 108.890 3.373 18.981 243 1HB PRO 43 1HB PRO 43 110.982 1.632 20.132 244 2HB PRO 43 2HB PRO 43 109.330 1.920 20.683 245 1HG PRO 43 1HG PRO 43 110.026 -0.395 19.539 246 2HG PRO 43 2HG PRO 43 108.435 0.336 19.254 247 1HD PRO 43 1HD PRO 43 110.858 0.321 17.494 248 2HD PRO 43 2HD PRO 43 109.148 0.115 17.059 249 H ALA 44 H ALA 44 111.759 3.023 17.169 250 HA ALA 44 HA ALA 44 113.297 4.820 18.853 251 1HB ALA 44 1HB ALA 44 114.169 3.705 16.207 252 2HB ALA 44 2HB ALA 44 114.286 2.782 17.705 253 3HB ALA 44 3HB ALA 44 115.171 4.297 17.531 254 H VAL 45 H VAL 45 111.033 5.113 16.459 255 HA VAL 45 HA VAL 45 112.075 7.198 14.876 256 HB VAL 45 HB VAL 45 110.078 5.943 14.219 257 1HG1 VAL 45 1HG1 VAL 45 108.303 7.485 16.010 258 2HG1 VAL 45 2HG1 VAL 45 109.226 6.175 16.747 259 3HG1 VAL 45 3HG1 VAL 45 108.145 5.839 15.394 260 1HG2 VAL 45 1HG2 VAL 45 109.747 7.710 12.914 261 2HG2 VAL 45 2HG2 VAL 45 110.360 8.804 14.153 262 3HG2 VAL 45 3HG2 VAL 45 108.655 8.353 14.140 263 H ASP 46 H ASP 46 110.798 7.070 18.075 264 HA ASP 46 HA ASP 46 110.212 9.875 18.298 265 1HB ASP 46 1HB ASP 46 109.403 7.732 19.717 266 2HB ASP 46 2HB ASP 46 110.724 8.278 20.746 267 H GLU 47 H GLU 47 113.007 7.881 18.614 268 HA GLU 47 HA GLU 47 114.514 10.183 19.671 269 1HB GLU 47 1HB GLU 47 114.240 7.964 21.084 270 2HB GLU 47 2HB GLU 47 115.525 7.395 20.028 271 1HG GLU 47 1HG GLU 47 116.651 9.666 20.741 272 2HG GLU 47 2HG GLU 47 115.579 9.490 22.130 273 H LYS 48 H LYS 48 113.907 9.473 16.906 274 HA LYS 48 HA LYS 48 116.530 9.753 15.820 275 1HB LYS 48 1HB LYS 48 116.388 7.278 16.231 276 2HB LYS 48 2HB LYS 48 115.045 7.224 15.099 277 1HG LYS 48 1HG LYS 48 116.403 7.733 13.275 278 2HG LYS 48 2HG LYS 48 117.702 8.349 14.299 279 1HD LYS 48 1HD LYS 48 118.147 6.099 15.117 280 2HD LYS 48 2HD LYS 48 116.815 5.469 14.145 281 1HE LYS 48 1HE LYS 48 118.807 7.035 12.658 282 2HE LYS 48 2HE LYS 48 119.413 5.532 13.353 283 1HZ LYS 48 1HZ LYS 48 117.136 4.686 12.281 284 2HZ LYS 48 2HZ LYS 48 118.607 4.688 11.445 285 3HZ LYS 48 3HZ LYS 48 117.498 5.944 11.208 286 H LEU 49 H LEU 49 113.322 8.533 14.848 287 HA LEU 49 HA LEU 49 111.997 9.055 13.056 288 1HB LEU 49 1HB LEU 49 112.039 11.117 14.731 289 2HB LEU 49 2HB LEU 49 112.764 11.917 13.349 290 HG LEU 49 HG LEU 49 110.206 10.415 12.978 291 1HD1 LEU 49 1HD1 LEU 49 108.998 12.542 13.491 292 2HD1 LEU 49 2HD1 LEU 49 110.488 13.146 14.216 293 3HD1 LEU 49 3HD1 LEU 49 109.686 11.730 14.896 294 1HD2 LEU 49 1HD2 LEU 49 109.964 12.570 11.479 295 2HD2 LEU 49 2HD2 LEU 49 110.909 11.181 10.942 296 3HD2 LEU 49 3HD2 LEU 49 111.722 12.588 11.627 297 H ARG 50 H ARG 50 114.572 8.294 12.270 298 HA ARG 50 HA ARG 50 115.915 8.239 10.440 299 1HB ARG 50 1HB ARG 50 113.594 9.817 9.351 300 2HB ARG 50 2HB ARG 50 115.005 9.462 8.365 301 1HG ARG 50 1HG ARG 50 113.395 7.335 9.748 302 2HG ARG 50 2HG ARG 50 113.061 7.894 8.108 303 1HD ARG 50 1HD ARG 50 115.667 7.409 7.849 304 2HD ARG 50 2HD ARG 50 115.314 6.270 9.148 305 HE ARG 50 HE ARG 50 114.504 6.073 6.397 306 1HH1 ARG 50 1HH1 ARG 50 113.779 5.099 9.669 307 2HH1 ARG 50 2HH1 ARG 50 112.919 3.676 9.187 308 1HH2 ARG 50 1HH2 ARG 50 113.374 4.202 5.762 309 2HH2 ARG 50 2HH2 ARG 50 112.689 3.165 6.969 310 H ASP 51 H ASP 51 116.317 10.251 12.477 311 HA ASP 51 HA ASP 51 117.497 12.432 10.892 312 1HB ASP 51 1HB ASP 51 115.799 12.957 12.735 313 2HB ASP 51 2HB ASP 51 117.051 12.474 13.875 314 H LEU 52 H LEU 52 118.184 9.799 13.026 315 HA LEU 52 HA LEU 52 120.909 10.682 13.513 316 1HB LEU 52 1HB LEU 52 119.260 9.312 15.081 317 2HB LEU 52 2HB LEU 52 119.973 7.950 14.238 318 HG LEU 52 HG LEU 52 122.241 8.939 14.923 319 1HD1 LEU 52 1HD1 LEU 52 121.780 10.143 17.251 320 2HD1 LEU 52 2HD1 LEU 52 120.349 10.691 16.378 321 3HD1 LEU 52 3HD1 LEU 52 121.957 11.036 15.740 322 1HD2 LEU 52 1HD2 LEU 52 120.492 7.968 17.170 323 2HD2 LEU 52 2HD2 LEU 52 122.228 7.734 16.962 324 3HD2 LEU 52 3HD2 LEU 52 121.094 6.916 15.889 325 H TYR 53 H TYR 53 119.670 9.749 10.821 326 HA TYR 53 HA TYR 53 121.639 7.676 10.170 327 1HB TYR 53 1HB TYR 53 118.892 8.032 9.502 328 2HB TYR 53 2HB TYR 53 119.827 8.169 8.020 329 HD1 TYR 53 HD1 TYR 53 117.834 5.962 9.243 330 HD2 TYR 53 HD2 TYR 53 122.037 6.245 8.650 331 HE1 TYR 53 HE1 TYR 53 117.976 3.510 9.126 332 HE2 TYR 53 HE2 TYR 53 122.188 3.794 8.530 333 HH TYR 53 HH TYR 53 120.760 1.813 9.446 334 H SER 54 H SER 54 120.300 10.759 9.080 335 HA SER 54 HA SER 54 121.058 12.325 7.606 336 1HB SER 54 1HB SER 54 122.621 12.652 9.489 337 2HB SER 54 2HB SER 54 123.727 11.490 8.757 338 HG SER 54 HG SER 54 124.490 13.297 7.928 339 H LYS 55 H LYS 55 120.723 9.715 6.505 340 HA LYS 55 HA LYS 55 121.193 8.492 4.639 341 1HB LYS 55 1HB LYS 55 122.523 11.004 3.620 342 2HB LYS 55 2HB LYS 55 121.790 9.718 2.671 343 1HG LYS 55 1HG LYS 55 119.659 10.446 3.070 344 2HG LYS 55 2HG LYS 55 120.088 11.204 4.605 345 1HD LYS 55 1HD LYS 55 121.329 12.322 2.159 346 2HD LYS 55 2HD LYS 55 119.601 12.606 2.381 347 1HE LYS 55 1HE LYS 55 120.509 14.433 3.450 348 2HE LYS 55 2HE LYS 55 120.312 13.304 4.789 349 1HZ LYS 55 1HZ LYS 55 122.565 12.895 4.888 350 2HZ LYS 55 2HZ LYS 55 122.536 14.542 4.502 351 3HZ LYS 55 3HZ LYS 55 122.849 13.398 3.297 352 H SER 56 H SER 56 123.305 8.861 6.828 353 HA SER 56 HA SER 56 125.852 8.731 5.620 354 1HB SER 56 1HB SER 56 125.495 9.182 8.037 355 2HB SER 56 2HB SER 56 124.964 7.513 8.248 356 HG SER 56 HG SER 56 127.067 6.890 7.456 357 H THR 57 H THR 57 123.979 6.107 7.104 358 HA THR 57 HA THR 57 124.921 4.321 4.983 359 HB THR 57 HB THR 57 126.230 4.028 7.086 360 HG1 THR 57 HG1 THR 57 124.633 1.804 6.365 361 1HG2 THR 57 1HG2 THR 57 124.121 4.362 8.555 362 2HG2 THR 57 2HG2 THR 57 125.370 3.220 9.049 363 3HG2 THR 57 3HG2 THR 57 123.892 2.635 8.285 364 H ALA 58 H ALA 58 122.368 5.784 5.744 365 HA ALA 58 HA ALA 58 120.476 3.718 6.366 366 1HB ALA 58 1HB ALA 58 118.993 5.395 6.599 367 2HB ALA 58 2HB ALA 58 119.443 6.138 5.064 368 3HB ALA 58 3HB ALA 58 120.409 6.443 6.508 369 H ALA 59 H ALA 59 121.584 5.409 3.487 370 HA ALA 59 HA ALA 59 119.795 4.010 1.722 371 1HB ALA 59 1HB ALA 59 122.197 5.309 0.601 372 2HB ALA 59 2HB ALA 59 121.099 6.353 1.505 373 3HB ALA 59 3HB ALA 59 120.506 5.438 0.120 374 H MET 60 H MET 60 122.920 3.446 3.093 375 HA MET 60 HA MET 60 123.717 1.532 1.074 376 1HB MET 60 1HB MET 60 125.315 3.008 2.379 377 2HB MET 60 2HB MET 60 124.989 1.985 3.773 378 1HG MET 60 1HG MET 60 125.687 0.047 2.217 379 2HG MET 60 2HG MET 60 126.412 1.317 1.233 380 1HE MET 60 1HE MET 60 127.859 -0.314 5.234 381 2HE MET 60 2HE MET 60 127.212 -1.238 3.877 382 3HE MET 60 3HE MET 60 126.155 -0.168 4.800 383 H SER 61 H SER 61 122.084 1.536 4.138 384 HA SER 61 HA SER 61 122.165 -1.405 4.201 385 1HB SER 61 1HB SER 61 121.566 0.583 6.403 386 2HB SER 61 2HB SER 61 121.437 -1.167 6.580 387 HG SER 61 HG SER 61 123.820 0.095 5.725 388 H THR 62 H THR 62 120.466 0.027 2.407 389 HA THR 62 HA THR 62 117.808 -0.373 3.577 390 HB THR 62 HB THR 62 117.725 0.712 0.924 391 HG1 THR 62 HG1 THR 62 119.434 2.038 2.752 392 1HG2 THR 62 1HG2 THR 62 116.645 1.297 3.541 393 2HG2 THR 62 2HG2 THR 62 115.964 1.589 1.941 394 3HG2 THR 62 3HG2 THR 62 117.079 2.757 2.652 395 H TYR 63 H TYR 63 120.057 -1.777 1.462 396 HA TYR 63 HA TYR 63 118.629 -2.957 -0.534 397 1HB TYR 63 1HB TYR 63 121.038 -3.688 0.999 398 2HB TYR 63 2HB TYR 63 120.241 -5.015 0.165 399 HD1 TYR 63 HD1 TYR 63 120.858 -5.456 -2.019 400 HD2 TYR 63 HD2 TYR 63 121.387 -1.520 -0.491 401 HE1 TYR 63 HE1 TYR 63 121.944 -4.791 -4.122 402 HE2 TYR 63 HE2 TYR 63 122.473 -0.844 -2.590 403 HH TYR 63 HH TYR 63 123.836 -2.458 -4.559 404 H THR 64 H THR 64 118.489 -3.651 2.865 405 HA THR 64 HA THR 64 117.433 -6.194 2.941 406 HB THR 64 HB THR 64 116.582 -3.830 4.628 407 HG1 THR 64 HG1 THR 64 118.551 -3.970 5.307 408 1HG2 THR 64 1HG2 THR 64 115.679 -6.520 4.675 409 2HG2 THR 64 2HG2 THR 64 115.272 -5.193 5.763 410 3HG2 THR 64 3HG2 THR 64 116.658 -6.226 6.112 411 H GLY 65 H GLY 65 115.972 -3.250 1.801 412 1HA GLY 65 1HA GLY 65 113.437 -4.713 1.379 413 2HA GLY 65 2HA GLY 65 113.531 -2.977 1.630 414 H ILE 66 H ILE 66 116.131 -3.748 -0.253 415 HA ILE 66 HA ILE 66 114.622 -3.179 -2.716 416 HB ILE 66 HB ILE 66 117.542 -2.614 -2.321 417 1HG1 ILE 66 1HG1 ILE 66 116.292 -1.419 -0.565 418 2HG1 ILE 66 2HG1 ILE 66 116.968 -0.305 -1.750 419 1HG2 ILE 66 1HG2 ILE 66 116.530 -2.684 -4.618 420 2HG2 ILE 66 2HG2 ILE 66 117.310 -1.162 -4.190 421 3HG2 ILE 66 3HG2 ILE 66 115.552 -1.293 -4.150 422 1HD1 ILE 66 1HD1 ILE 66 114.789 0.449 -1.267 423 2HD1 ILE 66 2HD1 ILE 66 114.111 -1.170 -1.450 424 3HD1 ILE 66 3HD1 ILE 66 114.714 -0.302 -2.862 425 H PHE 67 H PHE 67 116.458 -5.526 -1.125 426 HA PHE 67 HA PHE 67 118.080 -6.718 -2.955 427 1HB PHE 67 1HB PHE 67 117.127 -7.444 -0.524 428 2HB PHE 67 2HB PHE 67 116.291 -8.607 -1.548 429 HD1 PHE 67 HD1 PHE 67 117.376 -10.530 -2.262 430 HD2 PHE 67 HD2 PHE 67 119.669 -7.263 -0.786 431 HE1 PHE 67 HE1 PHE 67 119.401 -11.925 -2.332 432 HE2 PHE 67 HE2 PHE 67 121.699 -8.651 -0.854 433 HZ PHE 67 HZ PHE 67 121.566 -10.986 -1.627 434 H THR 68 H THR 68 114.599 -6.613 -2.991 435 HA THR 68 HA THR 68 114.567 -8.312 -5.392 436 HB THR 68 HB THR 68 112.052 -7.517 -3.998 437 HG1 THR 68 HG1 THR 68 113.724 -9.606 -3.067 438 1HG2 THR 68 1HG2 THR 68 112.817 -9.452 -5.939 439 2HG2 THR 68 2HG2 THR 68 111.210 -9.059 -5.330 440 3HG2 THR 68 3HG2 THR 68 112.190 -10.277 -4.512 441 H ASP 69 H ASP 69 113.992 -5.123 -4.179 442 HA ASP 69 HA ASP 69 112.374 -4.230 -6.365 443 1HB ASP 69 1HB ASP 69 114.037 -2.528 -4.500 444 2HB ASP 69 2HB ASP 69 112.637 -2.023 -5.440 445 H GLN 70 H GLN 70 115.805 -4.266 -5.624 446 HA GLN 70 HA GLN 70 116.634 -2.599 -7.759 447 1HB GLN 70 1HB GLN 70 118.070 -3.054 -5.826 448 2HB GLN 70 2HB GLN 70 118.154 -4.752 -6.275 449 1HG GLN 70 1HG GLN 70 119.415 -4.267 -8.219 450 2HG GLN 70 2HG GLN 70 119.116 -2.537 -8.061 451 1HE2 GLN 70 1HE2 GLN 70 120.623 -1.366 -7.107 452 2HE2 GLN 70 2HE2 GLN 70 121.901 -1.972 -6.114 453 H VAL 71 H VAL 71 115.909 -6.007 -7.482 454 HA VAL 71 HA VAL 71 117.000 -6.637 -10.090 455 HB VAL 71 HB VAL 71 115.364 -8.308 -8.184 456 1HG1 VAL 71 1HG1 VAL 71 116.624 -10.130 -9.655 457 2HG1 VAL 71 2HG1 VAL 71 116.517 -8.851 -10.864 458 3HG1 VAL 71 3HG1 VAL 71 115.050 -9.479 -10.113 459 1HG2 VAL 71 1HG2 VAL 71 117.288 -8.171 -7.008 460 2HG2 VAL 71 2HG2 VAL 71 118.247 -7.727 -8.420 461 3HG2 VAL 71 3HG2 VAL 71 117.811 -9.414 -8.144 462 H LEU 72 H LEU 72 113.825 -6.283 -8.570 463 HA LEU 72 HA LEU 72 112.247 -7.078 -10.737 464 1HB LEU 72 1HB LEU 72 111.849 -5.554 -8.251 465 2HB LEU 72 2HB LEU 72 110.703 -5.186 -9.526 466 HG LEU 72 HG LEU 72 110.059 -7.542 -9.654 467 1HD1 LEU 72 1HD1 LEU 72 112.471 -8.135 -8.649 468 2HD1 LEU 72 2HD1 LEU 72 111.094 -9.236 -8.579 469 3HD1 LEU 72 3HD1 LEU 72 111.504 -8.245 -7.178 470 1HD2 LEU 72 1HD2 LEU 72 108.610 -7.386 -7.929 471 2HD2 LEU 72 2HD2 LEU 72 109.291 -5.764 -7.789 472 3HD2 LEU 72 3HD2 LEU 72 109.881 -7.061 -6.749 473 H SER 73 H SER 73 113.959 -4.121 -10.115 474 HA SER 73 HA SER 73 112.544 -2.578 -12.085 475 1HB SER 73 1HB SER 73 115.089 -2.081 -10.536 476 2HB SER 73 2HB SER 73 114.431 -0.936 -11.705 477 HG SER 73 HG SER 73 112.657 -0.652 -10.429 478 H VAL 74 H VAL 74 115.382 -4.607 -11.998 479 HA VAL 74 HA VAL 74 116.693 -3.717 -14.299 480 HB VAL 74 HB VAL 74 116.534 -6.520 -13.179 481 1HG1 VAL 74 1HG1 VAL 74 117.318 -6.888 -15.329 482 2HG1 VAL 74 2HG1 VAL 74 118.811 -6.661 -14.418 483 3HG1 VAL 74 3HG1 VAL 74 118.165 -5.342 -15.395 484 1HG2 VAL 74 1HG2 VAL 74 118.153 -4.119 -12.568 485 2HG2 VAL 74 2HG2 VAL 74 118.988 -5.673 -12.560 486 3HG2 VAL 74 3HG2 VAL 74 117.597 -5.414 -11.507 487 H LEU 75 H LEU 75 113.865 -5.728 -13.903 488 HA LEU 75 HA LEU 75 113.735 -6.868 -16.456 489 1HB LEU 75 1HB LEU 75 111.735 -6.217 -14.339 490 2HB LEU 75 2HB LEU 75 111.149 -6.672 -15.927 491 HG LEU 75 HG LEU 75 111.199 -8.604 -14.460 492 1HD1 LEU 75 1HD1 LEU 75 113.443 -8.847 -16.451 493 2HD1 LEU 75 2HD1 LEU 75 111.736 -8.825 -16.895 494 3HD1 LEU 75 3HD1 LEU 75 112.366 -10.119 -15.874 495 1HD2 LEU 75 1HD2 LEU 75 113.077 -7.697 -13.035 496 2HD2 LEU 75 2HD2 LEU 75 114.183 -8.278 -14.280 497 3HD2 LEU 75 3HD2 LEU 75 113.156 -9.419 -13.412 498 H LYS 76 H LYS 76 113.167 -3.641 -15.363 499 HA LYS 76 HA LYS 76 113.134 -2.543 -17.928 500 1HB LYS 76 1HB LYS 76 110.530 -3.430 -16.938 501 2HB LYS 76 2HB LYS 76 110.551 -1.723 -17.361 502 1HG LYS 76 1HG LYS 76 111.840 -3.369 -19.372 503 2HG LYS 76 2HG LYS 76 110.163 -3.838 -19.086 504 1HD LYS 76 1HD LYS 76 111.097 -1.028 -19.671 505 2HD LYS 76 2HD LYS 76 110.405 -2.131 -20.863 506 1HE LYS 76 1HE LYS 76 108.305 -1.825 -20.112 507 2HE LYS 76 2HE LYS 76 108.808 -1.784 -18.423 508 1HZ LYS 76 1HZ LYS 76 108.742 0.422 -20.381 509 2HZ LYS 76 2HZ LYS 76 109.739 0.510 -19.017 510 3HZ LYS 76 3HZ LYS 76 108.064 0.356 -18.832 511 H GLY 77 H GLY 77 114.128 -0.720 -17.518 512 1HA GLY 77 1HA GLY 77 113.844 1.575 -16.706 513 2HA GLY 77 2HA GLY 77 113.230 0.888 -15.208 514 H GLU 78 H GLU 78 115.557 -1.189 -15.887 515 HA GLU 78 HA GLU 78 117.551 -1.611 -14.860 516 1HB GLU 78 1HB GLU 78 118.164 -0.429 -16.943 517 2HB GLU 78 2HB GLU 78 118.184 1.087 -16.055 518 1HG GLU 78 1HG GLU 78 120.127 0.583 -14.955 519 2HG GLU 78 2HG GLU 78 119.877 -1.158 -15.088 520 H GLU 79 H GLU 79 115.604 -0.254 -13.179 521 HA GLU 79 HA GLU 79 117.216 1.535 -11.533 522 1HB GLU 79 1HB GLU 79 114.591 1.618 -12.169 523 2HB GLU 79 2HB GLU 79 114.505 0.750 -10.643 524 1HG GLU 79 1HG GLU 79 116.157 3.205 -10.727 525 2HG GLU 79 2HG GLU 79 114.406 3.391 -10.787 Start of MODEL 6 1 H THR 13 H THR 13 87.035 -15.947 9.431 2 HA THR 13 HA THR 13 85.047 -16.183 10.682 3 HB THR 13 HB THR 13 86.596 -18.415 12.011 4 HG1 THR 13 HG1 THR 13 85.604 -19.251 10.279 5 1HG2 THR 13 1HG2 THR 13 83.850 -17.421 12.733 6 2HG2 THR 13 2HG2 THR 13 85.310 -17.136 13.679 7 3HG2 THR 13 3HG2 THR 13 84.712 -18.779 13.455 8 H PHE 14 H PHE 14 87.491 -17.106 13.038 9 HA PHE 14 HA PHE 14 87.305 -14.535 14.302 10 1HB PHE 14 1HB PHE 14 88.291 -17.173 14.989 11 2HB PHE 14 2HB PHE 14 89.446 -15.929 15.456 12 HD1 PHE 14 HD1 PHE 14 85.753 -16.475 15.575 13 HD2 PHE 14 HD2 PHE 14 89.249 -15.110 17.580 14 HE1 PHE 14 HE1 PHE 14 84.409 -15.984 17.576 15 HE2 PHE 14 HE2 PHE 14 87.911 -14.618 19.586 16 HZ PHE 14 HZ PHE 14 85.488 -15.056 19.585 17 H LEU 15 H LEU 15 89.410 -16.089 12.044 18 HA LEU 15 HA LEU 15 91.592 -14.231 12.434 19 1HB LEU 15 1HB LEU 15 92.533 -15.379 10.405 20 2HB LEU 15 2HB LEU 15 92.244 -16.411 11.792 21 HG LEU 15 HG LEU 15 90.036 -16.270 9.835 22 1HD1 LEU 15 1HD1 LEU 15 92.080 -16.271 8.408 23 2HD1 LEU 15 2HD1 LEU 15 91.064 -17.699 8.221 24 3HD1 LEU 15 3HD1 LEU 15 92.549 -17.791 9.169 25 1HD2 LEU 15 1HD2 LEU 15 90.513 -17.777 11.988 26 2HD2 LEU 15 2HD2 LEU 15 91.265 -18.798 10.760 27 3HD2 LEU 15 3HD2 LEU 15 89.566 -18.346 10.612 28 H THR 16 H THR 16 88.777 -14.529 10.424 29 HA THR 16 HA THR 16 89.597 -12.758 8.359 30 HB THR 16 HB THR 16 86.752 -13.287 9.215 31 HG1 THR 16 HG1 THR 16 88.362 -14.872 7.503 32 1HG2 THR 16 1HG2 THR 16 87.603 -13.146 6.384 33 2HG2 THR 16 2HG2 THR 16 87.500 -11.638 7.292 34 3HG2 THR 16 3HG2 THR 16 86.082 -12.676 7.140 35 H GLN 17 H GLN 17 88.218 -12.300 11.529 36 HA GLN 17 HA GLN 17 87.245 -9.686 11.180 37 1HB GLN 17 1HB GLN 17 86.714 -9.812 13.367 38 2HB GLN 17 2HB GLN 17 87.224 -11.488 13.233 39 1HG GLN 17 1HG GLN 17 89.308 -11.046 14.213 40 2HG GLN 17 2HG GLN 17 89.134 -9.303 13.995 41 1HE2 GLN 17 1HE2 GLN 17 89.161 -11.609 16.250 42 2HE2 GLN 17 2HE2 GLN 17 88.115 -10.912 17.434 43 H VAL 18 H VAL 18 90.375 -10.829 12.465 44 HA VAL 18 HA VAL 18 91.520 -8.272 12.752 45 HB VAL 18 HB VAL 18 93.267 -10.577 12.019 46 1HG1 VAL 18 1HG1 VAL 18 93.845 -8.114 12.833 47 2HG1 VAL 18 2HG1 VAL 18 94.848 -9.505 13.246 48 3HG1 VAL 18 3HG1 VAL 18 93.681 -8.882 14.412 49 1HG2 VAL 18 1HG2 VAL 18 91.948 -11.842 13.423 50 2HG2 VAL 18 2HG2 VAL 18 91.484 -10.457 14.411 51 3HG2 VAL 18 3HG2 VAL 18 93.097 -11.154 14.570 52 H LYS 19 H LYS 19 91.270 -10.497 10.062 53 HA LYS 19 HA LYS 19 93.098 -9.351 8.305 54 1HB LYS 19 1HB LYS 19 90.627 -10.980 8.010 55 2HB LYS 19 2HB LYS 19 91.203 -10.140 6.577 56 1HG LYS 19 1HG LYS 19 93.440 -11.388 7.766 57 2HG LYS 19 2HG LYS 19 92.132 -12.572 7.726 58 1HD LYS 19 1HD LYS 19 92.855 -12.936 5.624 59 2HD LYS 19 2HD LYS 19 91.912 -11.490 5.252 60 1HE LYS 19 1HE LYS 19 94.677 -11.047 6.191 61 2HE LYS 19 2HE LYS 19 94.506 -11.789 4.601 62 1HZ LYS 19 1HZ LYS 19 94.523 -9.532 4.156 63 2HZ LYS 19 2HZ LYS 19 93.585 -9.137 5.507 64 3HZ LYS 19 3HZ LYS 19 92.868 -9.885 4.171 65 H GLU 20 H GLU 20 90.018 -8.249 9.426 66 HA GLU 20 HA GLU 20 89.644 -6.308 7.322 67 1HB GLU 20 1HB GLU 20 88.312 -6.536 10.029 68 2HB GLU 20 2HB GLU 20 87.795 -5.484 8.719 69 1HG GLU 20 1HG GLU 20 88.034 -8.339 8.046 70 2HG GLU 20 2HG GLU 20 86.766 -7.921 9.196 71 H SER 21 H SER 21 91.325 -6.493 10.320 72 HA SER 21 HA SER 21 91.647 -3.602 10.510 73 1HB SER 21 1HB SER 21 91.619 -5.772 12.369 74 2HB SER 21 2HB SER 21 93.171 -4.949 12.475 75 HG SER 21 HG SER 21 90.757 -4.139 13.354 76 H LEU 22 H LEU 22 93.707 -6.537 10.433 77 HA LEU 22 HA LEU 22 96.142 -5.178 10.154 78 1HB LEU 22 1HB LEU 22 97.087 -7.269 9.471 79 2HB LEU 22 2HB LEU 22 95.906 -7.581 10.729 80 HG LEU 22 HG LEU 22 94.339 -7.949 8.589 81 1HD1 LEU 22 1HD1 LEU 22 97.141 -8.526 7.673 82 2HD1 LEU 22 2HD1 LEU 22 95.906 -7.548 6.879 83 3HD1 LEU 22 3HD1 LEU 22 95.727 -9.300 6.958 84 1HD2 LEU 22 1HD2 LEU 22 94.810 -10.363 8.830 85 2HD2 LEU 22 2HD2 LEU 22 94.620 -9.543 10.381 86 3HD2 LEU 22 3HD2 LEU 22 96.231 -9.963 9.797 87 H SER 23 H SER 23 93.583 -5.653 7.952 88 HA SER 23 HA SER 23 95.287 -4.947 5.667 89 1HB SER 23 1HB SER 23 93.749 -5.952 4.254 90 2HB SER 23 2HB SER 23 93.596 -6.960 5.691 91 HG SER 23 HG SER 23 91.665 -5.757 4.499 92 H SER 24 H SER 24 93.123 -3.597 7.897 93 HA SER 24 HA SER 24 91.767 -1.726 6.307 94 1HB SER 24 1HB SER 24 91.712 -2.382 8.953 95 2HB SER 24 2HB SER 24 92.514 -0.812 9.009 96 HG SER 24 HG SER 24 89.974 -1.437 7.926 97 H TYR 25 H TYR 25 95.048 -1.901 7.213 98 HA TYR 25 HA TYR 25 95.486 0.927 6.584 99 1HB TYR 25 1HB TYR 25 96.603 -0.686 8.543 100 2HB TYR 25 2HB TYR 25 97.854 -0.636 7.304 101 HD1 TYR 25 HD1 TYR 25 96.053 1.261 9.835 102 HD2 TYR 25 HD2 TYR 25 98.890 1.508 6.673 103 HE1 TYR 25 HE1 TYR 25 96.761 3.470 10.651 104 HE2 TYR 25 HE2 TYR 25 99.606 3.717 7.481 105 HH TYR 25 HH TYR 25 98.643 4.962 10.529 106 H TRP 26 H TRP 26 95.556 -2.143 5.221 107 HA TRP 26 HA TRP 26 97.594 -1.497 3.238 108 1HB TRP 26 1HB TRP 26 97.489 -3.798 4.143 109 2HB TRP 26 2HB TRP 26 95.847 -3.958 3.525 110 HD1 TRP 26 HD1 TRP 26 95.566 -4.167 0.843 111 HE1 TRP 26 HE1 TRP 26 97.207 -4.959 -0.970 112 HE3 TRP 26 HE3 TRP 26 99.928 -3.824 3.489 113 HZ2 TRP 26 HZ2 TRP 26 99.985 -5.384 -1.246 114 HZ3 TRP 26 HZ3 TRP 26 102.033 -4.443 2.376 115 HH2 TRP 26 HH2 TRP 26 102.058 -5.207 0.057 116 H GLU 27 H GLU 27 94.184 -1.489 3.713 117 HA GLU 27 HA GLU 27 93.542 -1.310 0.901 118 1HB GLU 27 1HB GLU 27 92.112 -2.186 3.002 119 2HB GLU 27 2HB GLU 27 91.546 -0.523 2.949 120 1HG GLU 27 1HG GLU 27 91.395 -1.289 0.323 121 2HG GLU 27 2HG GLU 27 90.957 -2.763 1.185 122 H SER 28 H SER 28 94.366 0.812 3.470 123 HA SER 28 HA SER 28 93.168 3.164 2.334 124 1HB SER 28 1HB SER 28 93.809 2.678 4.820 125 2HB SER 28 2HB SER 28 95.409 3.220 4.327 126 HG SER 28 HG SER 28 92.979 4.677 4.193 127 H ALA 29 H ALA 29 96.428 1.837 2.581 128 HA ALA 29 HA ALA 29 97.864 3.841 1.330 129 1HB ALA 29 1HB ALA 29 99.226 2.187 2.158 130 2HB ALA 29 2HB ALA 29 99.261 1.798 0.437 131 3HB ALA 29 3HB ALA 29 98.215 0.888 1.527 132 H LYS 30 H LYS 30 95.670 1.511 -0.014 133 HA LYS 30 HA LYS 30 96.415 2.079 -2.754 134 1HB LYS 30 1HB LYS 30 95.373 -0.125 -1.631 135 2HB LYS 30 2HB LYS 30 93.880 0.662 -2.120 136 1HG LYS 30 1HG LYS 30 94.408 0.542 -4.379 137 2HG LYS 30 2HG LYS 30 96.128 0.305 -4.062 138 1HD LYS 30 1HD LYS 30 95.892 -1.924 -3.706 139 2HD LYS 30 2HD LYS 30 94.292 -1.747 -2.984 140 1HE LYS 30 1HE LYS 30 93.230 -1.967 -4.965 141 2HE LYS 30 2HE LYS 30 94.479 -1.092 -5.849 142 1HZ LYS 30 1HZ LYS 30 95.206 -3.715 -4.816 143 2HZ LYS 30 2HZ LYS 30 95.621 -2.975 -6.279 144 3HZ LYS 30 3HZ LYS 30 94.101 -3.693 -6.096 145 H THR 31 H THR 31 94.030 3.061 -0.397 146 HA THR 31 HA THR 31 92.160 4.241 -2.138 147 HB THR 31 HB THR 31 92.867 5.022 0.699 148 HG1 THR 31 HG1 THR 31 92.227 2.869 0.573 149 1HG2 THR 31 1HG2 THR 31 90.104 5.319 0.049 150 2HG2 THR 31 2HG2 THR 31 91.085 6.266 -1.069 151 3HG2 THR 31 3HG2 THR 31 91.242 6.514 0.670 152 H ALA 32 H ALA 32 95.205 5.353 -0.817 153 HA ALA 32 HA ALA 32 94.811 7.991 -2.044 154 1HB ALA 32 1HB ALA 32 97.052 8.429 -0.805 155 2HB ALA 32 2HB ALA 32 96.646 6.958 0.080 156 3HB ALA 32 3HB ALA 32 95.552 8.341 0.119 157 H ALA 33 H ALA 33 95.498 5.347 -3.402 158 HA ALA 33 HA ALA 33 98.035 6.162 -4.649 159 1HB ALA 33 1HB ALA 33 97.997 3.896 -3.680 160 2HB ALA 33 2HB ALA 33 98.248 3.872 -5.426 161 3HB ALA 33 3HB ALA 33 96.666 3.474 -4.757 162 H GLN 34 H GLN 34 94.744 5.066 -5.348 163 HA GLN 34 HA GLN 34 94.946 5.353 -8.163 164 1HB GLN 34 1HB GLN 34 92.748 4.934 -6.206 165 2HB GLN 34 2HB GLN 34 92.305 5.567 -7.785 166 1HG GLN 34 1HG GLN 34 93.616 3.617 -8.758 167 2HG GLN 34 2HG GLN 34 93.608 2.950 -7.126 168 1HE2 GLN 34 1HE2 GLN 34 91.984 1.666 -6.635 169 2HE2 GLN 34 2HE2 GLN 34 90.454 1.608 -7.434 170 H ASN 35 H ASN 35 94.504 7.573 -5.587 171 HA ASN 35 HA ASN 35 93.202 9.634 -7.082 172 1HB ASN 35 1HB ASN 35 93.412 9.230 -4.477 173 2HB ASN 35 2HB ASN 35 94.854 10.215 -4.662 174 1HD2 ASN 35 1HD2 ASN 35 94.420 12.225 -6.088 175 2HD2 ASN 35 2HD2 ASN 35 93.009 13.128 -5.668 176 H LEU 36 H LEU 36 96.487 9.369 -5.733 177 HA LEU 36 HA LEU 36 97.541 11.575 -7.121 178 1HB LEU 36 1HB LEU 36 99.253 9.232 -6.390 179 2HB LEU 36 2HB LEU 36 99.632 10.942 -6.320 180 HG LEU 36 HG LEU 36 97.858 9.412 -4.423 181 1HD1 LEU 36 1HD1 LEU 36 100.568 10.685 -4.156 182 2HD1 LEU 36 2HD1 LEU 36 100.142 8.986 -3.947 183 3HD1 LEU 36 3HD1 LEU 36 99.587 10.185 -2.778 184 1HD2 LEU 36 1HD2 LEU 36 97.061 11.323 -3.556 185 2HD2 LEU 36 2HD2 LEU 36 97.465 12.007 -5.130 186 3HD2 LEU 36 3HD2 LEU 36 98.585 12.179 -3.780 187 H TYR 37 H TYR 37 97.474 8.128 -7.904 188 HA TYR 37 HA TYR 37 99.053 8.281 -10.232 189 1HB TYR 37 1HB TYR 37 97.068 6.302 -9.178 190 2HB TYR 37 2HB TYR 37 97.687 6.125 -10.816 191 HD1 TYR 37 HD1 TYR 37 99.368 7.178 -7.652 192 HD2 TYR 37 HD2 TYR 37 99.162 4.340 -10.815 193 HE1 TYR 37 HE1 TYR 37 101.371 6.056 -6.769 194 HE2 TYR 37 HE2 TYR 37 101.162 3.210 -9.940 195 HH TYR 37 HH TYR 37 103.094 3.710 -8.536 196 H GLU 38 H GLU 38 95.904 9.382 -9.632 197 HA GLU 38 HA GLU 38 95.010 9.168 -12.379 198 1HB GLU 38 1HB GLU 38 93.452 8.938 -10.434 199 2HB GLU 38 2HB GLU 38 93.714 10.640 -10.081 200 1HG GLU 38 1HG GLU 38 93.004 10.767 -12.688 201 2HG GLU 38 2HG GLU 38 92.075 9.367 -12.153 202 H LYS 39 H LYS 39 96.749 11.393 -10.444 203 HA LYS 39 HA LYS 39 96.217 13.584 -12.324 204 1HB LYS 39 1HB LYS 39 96.574 13.475 -9.498 205 2HB LYS 39 2HB LYS 39 97.888 14.425 -10.176 206 1HG LYS 39 1HG LYS 39 95.180 15.034 -11.180 207 2HG LYS 39 2HG LYS 39 95.515 15.456 -9.500 208 1HD LYS 39 1HD LYS 39 97.093 17.019 -10.064 209 2HD LYS 39 2HD LYS 39 97.523 16.199 -11.566 210 1HE LYS 39 1HE LYS 39 95.158 16.858 -12.347 211 2HE LYS 39 2HE LYS 39 95.190 17.994 -10.999 212 1HZ LYS 39 1HZ LYS 39 96.885 17.948 -13.412 213 2HZ LYS 39 2HZ LYS 39 97.410 18.734 -12.009 214 3HZ LYS 39 3HZ LYS 39 95.982 19.228 -12.771 215 H THR 40 H THR 40 98.153 11.136 -12.468 216 HA THR 40 HA THR 40 100.131 12.403 -14.009 217 HB THR 40 HB THR 40 101.992 11.491 -12.263 218 HG1 THR 40 HG1 THR 40 100.132 12.776 -10.580 219 1HG2 THR 40 1HG2 THR 40 101.134 14.212 -11.601 220 2HG2 THR 40 2HG2 THR 40 101.409 13.909 -13.317 221 3HG2 THR 40 3HG2 THR 40 102.698 13.608 -12.151 222 H TYR 41 H TYR 41 99.098 9.614 -12.183 223 HA TYR 41 HA TYR 41 99.429 7.378 -12.436 224 1HB TYR 41 1HB TYR 41 97.933 7.876 -14.277 225 2HB TYR 41 2HB TYR 41 99.294 8.287 -15.306 226 HD1 TYR 41 HD1 TYR 41 98.382 5.396 -13.108 227 HD2 TYR 41 HD2 TYR 41 99.716 6.705 -16.930 228 HE1 TYR 41 HE1 TYR 41 98.504 3.058 -13.858 229 HE2 TYR 41 HE2 TYR 41 99.841 4.370 -17.692 230 HH TYR 41 HH TYR 41 98.935 2.203 -17.149 231 H LEU 42 H LEU 42 101.836 8.981 -12.199 232 HA LEU 42 HA LEU 42 103.733 6.971 -13.011 233 1HB LEU 42 1HB LEU 42 103.700 9.697 -14.265 234 2HB LEU 42 2HB LEU 42 105.204 8.814 -14.081 235 HG LEU 42 HG LEU 42 103.571 6.947 -15.272 236 1HD1 LEU 42 1HD1 LEU 42 101.778 8.162 -15.957 237 2HD1 LEU 42 2HD1 LEU 42 102.854 8.478 -17.317 238 3HD1 LEU 42 3HD1 LEU 42 102.685 9.672 -16.030 239 1HD2 LEU 42 1HD2 LEU 42 105.066 8.707 -17.102 240 2HD2 LEU 42 2HD2 LEU 42 105.166 6.963 -16.866 241 3HD2 LEU 42 3HD2 LEU 42 105.982 8.052 -15.744 242 HA PRO 43 HA PRO 43 105.372 8.658 -9.214 243 1HB PRO 43 1HB PRO 43 107.287 6.845 -8.778 244 2HB PRO 43 2HB PRO 43 105.576 6.418 -8.647 245 1HG PRO 43 1HG PRO 43 107.494 5.899 -10.882 246 2HG PRO 43 2HG PRO 43 106.252 4.833 -10.202 247 1HD PRO 43 1HD PRO 43 105.949 6.325 -12.507 248 2HD PRO 43 2HD PRO 43 104.609 5.728 -11.511 249 H ALA 44 H ALA 44 106.139 10.177 -11.365 250 HA ALA 44 HA ALA 44 107.763 11.595 -12.093 251 1HB ALA 44 1HB ALA 44 108.027 11.745 -9.543 252 2HB ALA 44 2HB ALA 44 109.345 12.338 -10.552 253 3HB ALA 44 3HB ALA 44 109.471 10.760 -9.776 254 H VAL 45 H VAL 45 107.884 8.560 -12.624 255 HA VAL 45 HA VAL 45 110.628 7.926 -12.987 256 HB VAL 45 HB VAL 45 108.967 6.168 -12.829 257 1HG1 VAL 45 1HG1 VAL 45 107.110 5.984 -14.096 258 2HG1 VAL 45 2HG1 VAL 45 107.923 6.549 -15.557 259 3HG1 VAL 45 3HG1 VAL 45 107.366 7.710 -14.351 260 1HG2 VAL 45 1HG2 VAL 45 109.594 5.334 -15.431 261 2HG2 VAL 45 2HG2 VAL 45 110.472 4.973 -13.945 262 3HG2 VAL 45 3HG2 VAL 45 110.927 6.370 -14.919 263 H ASP 46 H ASP 46 108.218 9.551 -14.910 264 HA ASP 46 HA ASP 46 109.742 9.481 -17.345 265 1HB ASP 46 1HB ASP 46 107.172 10.695 -16.454 266 2HB ASP 46 2HB ASP 46 107.974 11.420 -17.844 267 H GLU 47 H GLU 47 109.666 11.445 -14.520 268 HA GLU 47 HA GLU 47 111.473 13.367 -15.834 269 1HB GLU 47 1HB GLU 47 109.495 13.981 -13.631 270 2HB GLU 47 2HB GLU 47 110.601 15.126 -14.376 271 1HG GLU 47 1HG GLU 47 108.651 15.599 -15.474 272 2HG GLU 47 2HG GLU 47 109.395 14.442 -16.577 273 H LYS 48 H LYS 48 112.107 10.912 -14.406 274 HA LYS 48 HA LYS 48 114.189 11.889 -12.759 275 1HB LYS 48 1HB LYS 48 111.909 11.953 -11.366 276 2HB LYS 48 2HB LYS 48 112.328 10.266 -11.104 277 1HG LYS 48 1HG LYS 48 114.638 11.182 -10.412 278 2HG LYS 48 2HG LYS 48 113.799 12.727 -10.258 279 1HD LYS 48 1HD LYS 48 113.609 11.876 -8.121 280 2HD LYS 48 2HD LYS 48 112.093 11.345 -8.852 281 1HE LYS 48 1HE LYS 48 114.367 9.502 -9.169 282 2HE LYS 48 2HE LYS 48 113.796 9.720 -7.515 283 1HZ LYS 48 1HZ LYS 48 111.489 9.329 -8.592 284 2HZ LYS 48 2HZ LYS 48 112.486 8.005 -8.259 285 3HZ LYS 48 3HZ LYS 48 112.377 8.604 -9.837 286 H LEU 49 H LEU 49 112.077 9.008 -12.829 287 HA LEU 49 HA LEU 49 112.580 6.783 -12.983 288 1HB LEU 49 1HB LEU 49 113.248 7.954 -15.290 289 2HB LEU 49 2HB LEU 49 114.835 7.374 -14.825 290 HG LEU 49 HG LEU 49 112.644 5.392 -14.682 291 1HD1 LEU 49 1HD1 LEU 49 113.797 5.891 -17.377 292 2HD1 LEU 49 2HD1 LEU 49 112.439 6.880 -16.842 293 3HD1 LEU 49 3HD1 LEU 49 112.276 5.126 -16.921 294 1HD2 LEU 49 1HD2 LEU 49 114.549 4.115 -15.906 295 2HD2 LEU 49 2HD2 LEU 49 114.713 4.492 -14.191 296 3HD2 LEU 49 3HD2 LEU 49 115.545 5.477 -15.393 297 H ARG 50 H ARG 50 114.021 8.322 -10.945 298 HA ARG 50 HA ARG 50 115.601 7.945 -9.353 299 1HB ARG 50 1HB ARG 50 114.849 5.539 -9.737 300 2HB ARG 50 2HB ARG 50 116.263 5.365 -10.768 301 1HG ARG 50 1HG ARG 50 117.455 6.347 -8.593 302 2HG ARG 50 2HG ARG 50 116.068 5.569 -7.828 303 1HD ARG 50 1HD ARG 50 118.147 4.302 -9.601 304 2HD ARG 50 2HD ARG 50 117.852 3.984 -7.892 305 HE ARG 50 HE ARG 50 115.492 3.376 -9.132 306 1HH1 ARG 50 1HH1 ARG 50 118.803 2.324 -9.463 307 2HH1 ARG 50 2HH1 ARG 50 118.376 0.733 -9.997 308 1HH2 ARG 50 1HH2 ARG 50 114.928 1.284 -9.834 309 2HH2 ARG 50 2HH2 ARG 50 116.176 0.143 -10.208 310 H ASP 51 H ASP 51 116.219 9.358 -11.793 311 HA ASP 51 HA ASP 51 119.099 8.779 -12.040 312 1HB ASP 51 1HB ASP 51 117.337 8.845 -14.075 313 2HB ASP 51 2HB ASP 51 117.791 10.546 -14.030 314 H LEU 52 H LEU 52 116.776 11.070 -10.987 315 HA LEU 52 HA LEU 52 118.677 13.279 -11.035 316 1HB LEU 52 1HB LEU 52 115.755 13.003 -10.557 317 2HB LEU 52 2HB LEU 52 116.579 14.349 -9.792 318 HG LEU 52 HG LEU 52 116.965 13.898 -12.720 319 1HD1 LEU 52 1HD1 LEU 52 114.989 15.050 -13.302 320 2HD1 LEU 52 2HD1 LEU 52 114.634 15.445 -11.620 321 3HD1 LEU 52 3HD1 LEU 52 114.499 13.779 -12.181 322 1HD2 LEU 52 1HD2 LEU 52 116.682 16.456 -11.163 323 2HD2 LEU 52 2HD2 LEU 52 117.384 16.220 -12.763 324 3HD2 LEU 52 3HD2 LEU 52 118.219 15.608 -11.336 325 H TYR 53 H TYR 53 118.837 10.799 -9.252 326 HA TYR 53 HA TYR 53 119.131 12.260 -6.717 327 1HB TYR 53 1HB TYR 53 117.389 10.157 -7.169 328 2HB TYR 53 2HB TYR 53 118.780 9.375 -6.426 329 HD1 TYR 53 HD1 TYR 53 118.020 8.843 -4.279 330 HD2 TYR 53 HD2 TYR 53 117.427 12.780 -5.777 331 HE1 TYR 53 HE1 TYR 53 117.239 9.563 -2.061 332 HE2 TYR 53 HE2 TYR 53 116.646 13.512 -3.564 333 HH TYR 53 HH TYR 53 115.500 11.946 -1.407 334 H SER 54 H SER 54 120.207 9.428 -8.558 335 HA SER 54 HA SER 54 122.218 8.389 -8.732 336 1HB SER 54 1HB SER 54 123.561 10.897 -7.764 337 2HB SER 54 2HB SER 54 124.116 9.743 -8.977 338 HG SER 54 HG SER 54 122.802 10.624 -10.445 339 H LYS 55 H LYS 55 121.002 7.656 -6.511 340 HA LYS 55 HA LYS 55 121.275 6.785 -4.422 341 1HB LYS 55 1HB LYS 55 123.230 5.768 -5.714 342 2HB LYS 55 2HB LYS 55 124.241 6.971 -4.926 343 1HG LYS 55 1HG LYS 55 124.515 5.440 -3.333 344 2HG LYS 55 2HG LYS 55 122.888 5.884 -2.814 345 1HD LYS 55 1HD LYS 55 121.993 3.950 -3.543 346 2HD LYS 55 2HD LYS 55 122.996 3.919 -4.995 347 1HE LYS 55 1HE LYS 55 124.885 3.110 -3.705 348 2HE LYS 55 2HE LYS 55 123.942 3.215 -2.218 349 1HZ LYS 55 1HZ LYS 55 122.643 1.418 -2.815 350 2HZ LYS 55 2HZ LYS 55 124.164 0.956 -3.393 351 3HZ LYS 55 3HZ LYS 55 122.999 1.555 -4.463 352 H SER 56 H SER 56 121.441 9.777 -4.876 353 HA SER 56 HA SER 56 123.212 10.996 -3.117 354 1HB SER 56 1HB SER 56 121.992 12.424 -4.551 355 2HB SER 56 2HB SER 56 120.444 11.755 -4.036 356 HG SER 56 HG SER 56 122.187 13.452 -2.592 357 H THR 57 H THR 57 119.910 9.855 -2.504 358 HA THR 57 HA THR 57 120.611 9.370 0.275 359 HB THR 57 HB THR 57 118.121 10.932 -0.356 360 HG1 THR 57 HG1 THR 57 119.196 12.781 0.016 361 1HG2 THR 57 1HG2 THR 57 119.226 9.809 2.033 362 2HG2 THR 57 2HG2 THR 57 117.679 10.616 1.784 363 3HG2 THR 57 3HG2 THR 57 119.114 11.563 2.175 364 H ALA 58 H ALA 58 119.805 7.891 -2.228 365 HA ALA 58 HA ALA 58 117.244 6.731 -1.569 366 1HB ALA 58 1HB ALA 58 118.163 5.069 -3.444 367 2HB ALA 58 2HB ALA 58 119.212 6.450 -3.770 368 3HB ALA 58 3HB ALA 58 117.459 6.639 -3.833 369 H ALA 59 H ALA 59 120.645 5.899 -1.318 370 HA ALA 59 HA ALA 59 120.140 3.262 -0.279 371 1HB ALA 59 1HB ALA 59 122.713 3.654 0.337 372 2HB ALA 59 2HB ALA 59 122.527 4.897 -0.901 373 3HB ALA 59 3HB ALA 59 122.173 3.212 -1.283 374 H MET 60 H MET 60 120.294 6.446 1.002 375 HA MET 60 HA MET 60 120.970 5.603 3.689 376 1HB MET 60 1HB MET 60 121.368 7.927 2.404 377 2HB MET 60 2HB MET 60 119.841 8.301 3.191 378 1HG MET 60 1HG MET 60 121.113 8.934 4.906 379 2HG MET 60 2HG MET 60 121.247 7.209 5.242 380 1HE MET 60 1HE MET 60 123.046 5.788 3.699 381 2HE MET 60 2HE MET 60 124.598 6.460 3.198 382 3HE MET 60 3HE MET 60 123.140 6.829 2.278 383 H SER 61 H SER 61 118.116 6.276 1.805 384 HA SER 61 HA SER 61 116.452 6.010 4.217 385 1HB SER 61 1HB SER 61 115.639 6.996 1.473 386 2HB SER 61 2HB SER 61 114.646 7.011 2.930 387 HG SER 61 HG SER 61 116.623 8.736 2.130 388 H THR 62 H THR 62 117.737 3.752 2.970 389 HA THR 62 HA THR 62 115.463 2.333 1.781 390 HB THR 62 HB THR 62 117.886 0.795 1.790 391 HG1 THR 62 HG1 THR 62 118.074 3.411 0.724 392 1HG2 THR 62 1HG2 THR 62 117.101 0.180 -0.178 393 2HG2 THR 62 2HG2 THR 62 117.222 1.829 -0.794 394 3HG2 THR 62 3HG2 THR 62 115.763 1.306 0.049 395 H TYR 63 H TYR 63 117.259 2.629 4.643 396 HA TYR 63 HA TYR 63 117.370 0.139 5.749 397 1HB TYR 63 1HB TYR 63 117.020 2.868 6.826 398 2HB TYR 63 2HB TYR 63 116.576 1.550 7.901 399 HD1 TYR 63 HD1 TYR 63 118.244 1.202 9.462 400 HD2 TYR 63 HD2 TYR 63 119.344 2.005 5.431 401 HE1 TYR 63 HE1 TYR 63 120.610 0.883 10.050 402 HE2 TYR 63 HE2 TYR 63 121.713 1.687 6.007 403 HH TYR 63 HH TYR 63 123.133 1.857 8.116 404 H THR 64 H THR 64 114.546 2.056 5.093 405 HA THR 64 HA THR 64 112.659 0.934 6.766 406 HB THR 64 HB THR 64 112.168 1.570 3.854 407 HG1 THR 64 HG1 THR 64 112.137 3.378 6.034 408 1HG2 THR 64 1HG2 THR 64 110.120 2.588 5.421 409 2HG2 THR 64 2HG2 THR 64 110.435 0.982 6.077 410 3HG2 THR 64 3HG2 THR 64 110.053 1.178 4.365 411 H GLY 65 H GLY 65 114.298 -0.459 4.041 412 1HA GLY 65 1HA GLY 65 112.641 -2.890 4.329 413 2HA GLY 65 2HA GLY 65 113.380 -2.394 2.814 414 H ILE 66 H ILE 66 115.545 -1.696 5.237 415 HA ILE 66 HA ILE 66 116.906 -4.281 4.866 416 HB ILE 66 HB ILE 66 118.260 -1.665 5.463 417 1HG1 ILE 66 1HG1 ILE 66 117.994 -2.969 2.749 418 2HG1 ILE 66 2HG1 ILE 66 117.007 -1.612 3.282 419 1HG2 ILE 66 1HG2 ILE 66 120.104 -2.884 5.637 420 2HG2 ILE 66 2HG2 ILE 66 119.848 -3.553 4.026 421 3HG2 ILE 66 3HG2 ILE 66 119.137 -4.344 5.432 422 1HD1 ILE 66 1HD1 ILE 66 118.947 -0.208 3.449 423 2HD1 ILE 66 2HD1 ILE 66 118.903 -0.955 1.852 424 3HD1 ILE 66 3HD1 ILE 66 120.007 -1.568 3.082 425 H PHE 67 H PHE 67 115.426 -2.271 7.137 426 HA PHE 67 HA PHE 67 116.919 -2.325 9.413 427 1HB PHE 67 1HB PHE 67 114.568 -1.413 9.111 428 2HB PHE 67 2HB PHE 67 113.987 -3.048 9.406 429 HD1 PHE 67 HD1 PHE 67 116.569 -0.863 10.990 430 HD2 PHE 67 HD2 PHE 67 113.098 -3.272 11.500 431 HE1 PHE 67 HE1 PHE 67 116.642 -0.445 13.414 432 HE2 PHE 67 HE2 PHE 67 113.164 -2.859 13.925 433 HZ PHE 67 HZ PHE 67 114.936 -1.444 14.885 434 H THR 68 H THR 68 115.361 -5.021 7.853 435 HA THR 68 HA THR 68 116.265 -6.800 10.013 436 HB THR 68 HB THR 68 114.354 -7.609 7.839 437 HG1 THR 68 HG1 THR 68 112.672 -6.984 9.262 438 1HG2 THR 68 1HG2 THR 68 114.187 -9.493 8.971 439 2HG2 THR 68 2HG2 THR 68 113.719 -8.608 10.423 440 3HG2 THR 68 3HG2 THR 68 115.423 -8.916 10.090 441 H ASP 69 H ASP 69 116.686 -5.947 6.695 442 HA ASP 69 HA ASP 69 117.925 -8.398 5.880 443 1HB ASP 69 1HB ASP 69 116.902 -6.249 4.535 444 2HB ASP 69 2HB ASP 69 118.633 -5.956 4.391 445 H GLN 70 H GLN 70 119.018 -5.314 7.156 446 HA GLN 70 HA GLN 70 121.786 -5.722 6.717 447 1HB GLN 70 1HB GLN 70 120.316 -3.599 7.493 448 2HB GLN 70 2HB GLN 70 120.941 -4.109 9.056 449 1HG GLN 70 1HG GLN 70 123.191 -3.845 8.330 450 2HG GLN 70 2HG GLN 70 122.682 -3.598 6.660 451 1HE2 GLN 70 1HE2 GLN 70 122.482 -2.227 9.903 452 2HE2 GLN 70 2HE2 GLN 70 122.352 -0.581 9.396 453 H VAL 71 H VAL 71 119.567 -6.657 9.258 454 HA VAL 71 HA VAL 71 121.664 -7.553 11.031 455 HB VAL 71 HB VAL 71 118.674 -7.941 11.161 456 1HG1 VAL 71 1HG1 VAL 71 119.497 -8.191 13.709 457 2HG1 VAL 71 2HG1 VAL 71 120.890 -8.877 12.873 458 3HG1 VAL 71 3HG1 VAL 71 119.285 -9.562 12.618 459 1HG2 VAL 71 1HG2 VAL 71 118.674 -6.151 12.780 460 2HG2 VAL 71 2HG2 VAL 71 119.417 -5.590 11.283 461 3HG2 VAL 71 3HG2 VAL 71 120.429 -6.007 12.666 462 H LEU 72 H LEU 72 119.260 -9.002 8.879 463 HA LEU 72 HA LEU 72 119.741 -11.690 9.509 464 1HB LEU 72 1HB LEU 72 118.415 -10.198 7.362 465 2HB LEU 72 2HB LEU 72 119.056 -11.748 6.849 466 HG LEU 72 HG LEU 72 117.801 -12.739 8.853 467 1HD1 LEU 72 1HD1 LEU 72 117.414 -10.277 9.688 468 2HD1 LEU 72 2HD1 LEU 72 116.204 -11.531 9.955 469 3HD1 LEU 72 3HD1 LEU 72 116.003 -10.380 8.635 470 1HD2 LEU 72 1HD2 LEU 72 116.107 -13.301 7.457 471 2HD2 LEU 72 2HD2 LEU 72 117.167 -12.545 6.268 472 3HD2 LEU 72 3HD2 LEU 72 115.821 -11.635 6.953 473 H SER 73 H SER 73 121.502 -9.431 7.547 474 HA SER 73 HA SER 73 123.053 -11.413 6.162 475 1HB SER 73 1HB SER 73 124.516 -9.199 5.811 476 2HB SER 73 2HB SER 73 123.041 -9.505 4.895 477 HG SER 73 HG SER 73 122.414 -7.673 5.703 478 H VAL 74 H VAL 74 123.244 -9.764 9.195 479 HA VAL 74 HA VAL 74 125.987 -9.871 9.699 480 HB VAL 74 HB VAL 74 123.703 -10.145 11.659 481 1HG1 VAL 74 1HG1 VAL 74 126.635 -10.032 12.016 482 2HG1 VAL 74 2HG1 VAL 74 125.395 -10.766 13.031 483 3HG1 VAL 74 3HG1 VAL 74 125.671 -9.025 13.096 484 1HG2 VAL 74 1HG2 VAL 74 123.504 -8.085 10.495 485 2HG2 VAL 74 2HG2 VAL 74 125.234 -7.772 10.620 486 3HG2 VAL 74 3HG2 VAL 74 124.222 -7.716 12.064 487 H LEU 75 H LEU 75 123.529 -12.348 9.817 488 HA LEU 75 HA LEU 75 124.820 -14.278 11.358 489 1HB LEU 75 1HB LEU 75 123.092 -14.770 8.932 490 2HB LEU 75 2HB LEU 75 123.422 -15.910 10.221 491 HG LEU 75 HG LEU 75 122.042 -13.295 10.762 492 1HD1 LEU 75 1HD1 LEU 75 120.005 -14.082 10.160 493 2HD1 LEU 75 2HD1 LEU 75 120.437 -15.764 10.468 494 3HD1 LEU 75 3HD1 LEU 75 120.976 -14.972 8.988 495 1HD2 LEU 75 1HD2 LEU 75 121.857 -15.933 12.199 496 2HD2 LEU 75 2HD2 LEU 75 121.309 -14.351 12.753 497 3HD2 LEU 75 3HD2 LEU 75 123.035 -14.687 12.613 498 H LYS 76 H LYS 76 125.498 -13.119 8.182 499 HA LYS 76 HA LYS 76 127.991 -14.400 8.045 500 1HB LYS 76 1HB LYS 76 126.098 -16.222 7.470 501 2HB LYS 76 2HB LYS 76 126.304 -15.518 5.872 502 1HG LYS 76 1HG LYS 76 128.743 -15.969 6.057 503 2HG LYS 76 2HG LYS 76 128.421 -16.819 7.569 504 1HD LYS 76 1HD LYS 76 128.247 -18.625 6.236 505 2HD LYS 76 2HD LYS 76 126.624 -18.005 5.924 506 1HE LYS 76 1HE LYS 76 128.989 -17.177 4.269 507 2HE LYS 76 2HE LYS 76 128.064 -18.632 3.905 508 1HZ LYS 76 1HZ LYS 76 127.338 -15.842 3.568 509 2HZ LYS 76 2HZ LYS 76 126.105 -16.852 4.135 510 3HZ LYS 76 3HZ LYS 76 126.874 -17.198 2.670 511 H GLY 77 H GLY 77 129.106 -12.866 7.104 512 1HA GLY 77 1HA GLY 77 129.694 -11.842 4.961 513 2HA GLY 77 2HA GLY 77 127.975 -11.572 4.702 514 H GLU 78 H GLU 78 128.209 -10.969 7.833 515 HA GLU 78 HA GLU 78 127.986 -9.031 9.017 516 1HB GLU 78 1HB GLU 78 130.411 -9.499 9.050 517 2HB GLU 78 2HB GLU 78 130.613 -8.463 7.646 518 1HG GLU 78 1HG GLU 78 129.220 -6.943 9.551 519 2HG GLU 78 2HG GLU 78 130.515 -7.766 10.418 520 H GLU 79 H GLU 79 126.754 -8.971 6.383 521 HA GLU 79 HA GLU 79 127.112 -6.177 5.575 522 1HB GLU 79 1HB GLU 79 126.168 -8.637 4.242 523 2HB GLU 79 2HB GLU 79 125.295 -7.172 3.817 524 1HG GLU 79 1HG GLU 79 127.654 -6.171 3.448 525 2HG GLU 79 2HG GLU 79 128.165 -7.857 3.373 Start of MODEL 7 1 H THR 13 H THR 13 77.143 -4.812 -14.679 2 HA THR 13 HA THR 13 78.780 -4.991 -12.258 3 HB THR 13 HB THR 13 80.351 -6.015 -13.743 4 HG1 THR 13 HG1 THR 13 80.001 -6.107 -15.964 5 1HG2 THR 13 1HG2 THR 13 78.725 -7.616 -13.105 6 2HG2 THR 13 2HG2 THR 13 79.046 -7.851 -14.823 7 3HG2 THR 13 3HG2 THR 13 77.578 -7.023 -14.305 8 H PHE 14 H PHE 14 81.066 -4.252 -14.060 9 HA PHE 14 HA PHE 14 82.278 -2.423 -14.643 10 1HB PHE 14 1HB PHE 14 79.584 -1.764 -15.449 11 2HB PHE 14 2HB PHE 14 80.419 -0.319 -14.888 12 HD1 PHE 14 HD1 PHE 14 80.516 -3.077 -17.327 13 HD2 PHE 14 HD2 PHE 14 82.156 0.671 -16.157 14 HE1 PHE 14 HE1 PHE 14 81.671 -2.910 -19.494 15 HE2 PHE 14 HE2 PHE 14 83.312 0.846 -18.321 16 HZ PHE 14 HZ PHE 14 83.070 -0.946 -19.993 17 H LEU 15 H LEU 15 81.064 -2.967 -11.850 18 HA LEU 15 HA LEU 15 81.665 -0.323 -10.696 19 1HB LEU 15 1HB LEU 15 80.374 -1.013 -8.744 20 2HB LEU 15 2HB LEU 15 79.404 -1.089 -10.202 21 HG LEU 15 HG LEU 15 80.240 -3.636 -10.125 22 1HD1 LEU 15 1HD1 LEU 15 80.652 -2.548 -7.417 23 2HD1 LEU 15 2HD1 LEU 15 81.407 -3.926 -8.217 24 3HD1 LEU 15 3HD1 LEU 15 79.797 -4.087 -7.516 25 1HD2 LEU 15 1HD2 LEU 15 78.094 -4.151 -8.987 26 2HD2 LEU 15 2HD2 LEU 15 77.936 -2.984 -10.299 27 3HD2 LEU 15 3HD2 LEU 15 77.920 -2.434 -8.624 28 H THR 16 H THR 16 82.251 -3.785 -10.475 29 HA THR 16 HA THR 16 84.042 -3.620 -8.261 30 HB THR 16 HB THR 16 84.030 -5.829 -10.307 31 HG1 THR 16 HG1 THR 16 82.221 -6.637 -9.445 32 1HG2 THR 16 1HG2 THR 16 85.629 -5.770 -8.296 33 2HG2 THR 16 2HG2 THR 16 84.716 -7.246 -8.614 34 3HG2 THR 16 3HG2 THR 16 84.193 -6.142 -7.341 35 H GLN 17 H GLN 17 84.358 -3.290 -11.716 36 HA GLN 17 HA GLN 17 87.140 -3.701 -11.901 37 1HB GLN 17 1HB GLN 17 86.847 -3.259 -14.090 38 2HB GLN 17 2HB GLN 17 85.134 -3.254 -13.704 39 1HG GLN 17 1HG GLN 17 85.027 -0.919 -13.684 40 2HG GLN 17 2HG GLN 17 86.780 -0.753 -13.564 41 1HE2 GLN 17 1HE2 GLN 17 87.777 -0.212 -15.359 42 2HE2 GLN 17 2HE2 GLN 17 87.208 -0.485 -16.967 43 H VAL 18 H VAL 18 85.225 -0.712 -11.568 44 HA VAL 18 HA VAL 18 87.432 1.033 -11.408 45 HB VAL 18 HB VAL 18 84.964 1.672 -9.861 46 1HG1 VAL 18 1HG1 VAL 18 86.658 3.258 -11.783 47 2HG1 VAL 18 2HG1 VAL 18 86.791 3.284 -10.025 48 3HG1 VAL 18 3HG1 VAL 18 85.330 3.885 -10.808 49 1HG2 VAL 18 1HG2 VAL 18 83.848 0.744 -11.688 50 2HG2 VAL 18 2HG2 VAL 18 85.077 1.280 -12.833 51 3HG2 VAL 18 3HG2 VAL 18 83.973 2.451 -12.111 52 H LYS 19 H LYS 19 85.696 -0.870 -9.029 53 HA LYS 19 HA LYS 19 86.725 0.232 -6.691 54 1HB LYS 19 1HB LYS 19 85.627 -2.420 -7.465 55 2HB LYS 19 2HB LYS 19 86.546 -2.348 -5.968 56 1HG LYS 19 1HG LYS 19 84.894 -0.198 -5.705 57 2HG LYS 19 2HG LYS 19 83.876 -1.335 -6.591 58 1HD LYS 19 1HD LYS 19 83.409 -2.160 -4.552 59 2HD LYS 19 2HD LYS 19 84.976 -2.958 -4.706 60 1HE LYS 19 1HE LYS 19 84.590 -0.234 -3.478 61 2HE LYS 19 2HE LYS 19 84.619 -1.733 -2.549 62 1HZ LYS 19 1HZ LYS 19 86.777 -0.322 -2.910 63 2HZ LYS 19 2HZ LYS 19 86.850 -1.179 -4.366 64 3HZ LYS 19 3HZ LYS 19 86.840 -2.013 -2.895 65 H GLU 20 H GLU 20 88.204 -1.735 -9.121 66 HA GLU 20 HA GLU 20 90.459 -2.509 -7.494 67 1HB GLU 20 1HB GLU 20 89.464 -3.085 -10.159 68 2HB GLU 20 2HB GLU 20 91.192 -2.758 -10.183 69 1HG GLU 20 1HG GLU 20 90.080 -4.645 -8.162 70 2HG GLU 20 2HG GLU 20 90.310 -5.179 -9.825 71 H SER 21 H SER 21 89.539 0.161 -9.472 72 HA SER 21 HA SER 21 92.251 1.203 -9.646 73 1HB SER 21 1HB SER 21 89.854 1.481 -11.174 74 2HB SER 21 2HB SER 21 90.344 3.072 -10.598 75 HG SER 21 HG SER 21 92.428 2.642 -11.485 76 H LEU 22 H LEU 22 89.051 2.309 -8.462 77 HA LEU 22 HA LEU 22 90.023 4.601 -7.157 78 1HB LEU 22 1HB LEU 22 87.903 4.696 -6.039 79 2HB LEU 22 2HB LEU 22 87.641 4.182 -7.695 80 HG LEU 22 HG LEU 22 87.832 1.777 -6.456 81 1HD1 LEU 22 1HD1 LEU 22 86.133 2.268 -4.472 82 2HD1 LEU 22 2HD1 LEU 22 87.035 3.783 -4.428 83 3HD1 LEU 22 3HD1 LEU 22 87.881 2.247 -4.237 84 1HD2 LEU 22 1HD2 LEU 22 86.091 2.365 -8.003 85 2HD2 LEU 22 2HD2 LEU 22 85.390 3.501 -6.849 86 3HD2 LEU 22 3HD2 LEU 22 85.346 1.769 -6.520 87 H SER 23 H SER 23 90.253 1.295 -6.373 88 HA SER 23 HA SER 23 91.091 1.954 -3.628 89 1HB SER 23 1HB SER 23 89.112 0.291 -4.132 90 2HB SER 23 2HB SER 23 90.422 -0.846 -4.449 91 HG SER 23 HG SER 23 89.472 0.051 -2.087 92 H SER 24 H SER 24 92.328 1.329 -6.612 93 HA SER 24 HA SER 24 94.273 -0.633 -6.159 94 1HB SER 24 1HB SER 24 93.601 1.176 -8.246 95 2HB SER 24 2HB SER 24 95.327 1.347 -7.934 96 HG SER 24 HG SER 24 94.850 -0.312 -9.457 97 H TYR 25 H TYR 25 94.049 2.568 -4.985 98 HA TYR 25 HA TYR 25 96.895 2.641 -4.308 99 1HB TYR 25 1HB TYR 25 95.084 4.640 -5.080 100 2HB TYR 25 2HB TYR 25 95.367 4.920 -3.366 101 HD1 TYR 25 HD1 TYR 25 97.265 4.231 -6.511 102 HD2 TYR 25 HD2 TYR 25 97.183 6.213 -2.747 103 HE1 TYR 25 HE1 TYR 25 99.394 5.335 -7.053 104 HE2 TYR 25 HE2 TYR 25 99.312 7.324 -3.278 105 HH TYR 25 HH TYR 25 101.246 6.403 -5.964 106 H TRP 26 H TRP 26 93.904 1.775 -3.035 107 HA TRP 26 HA TRP 26 94.713 2.213 -0.261 108 1HB TRP 26 1HB TRP 26 92.380 2.730 -0.878 109 2HB TRP 26 2HB TRP 26 92.151 1.065 -1.404 110 HD1 TRP 26 HD1 TRP 26 92.684 -0.797 0.736 111 HE1 TRP 26 HE1 TRP 26 91.789 -0.638 3.139 112 HE3 TRP 26 HE3 TRP 26 91.588 4.194 0.864 113 HZ2 TRP 26 HZ2 TRP 26 90.754 1.342 4.867 114 HZ3 TRP 26 HZ3 TRP 26 90.648 5.142 2.931 115 HH2 TRP 26 HH2 TRP 26 90.240 3.744 4.890 116 H GLU 27 H GLU 27 94.475 -0.215 -2.700 117 HA GLU 27 HA GLU 27 94.835 -2.402 -0.826 118 1HB GLU 27 1HB GLU 27 93.591 -2.300 -3.222 119 2HB GLU 27 2HB GLU 27 95.174 -2.873 -3.729 120 1HG GLU 27 1HG GLU 27 93.894 -4.230 -1.428 121 2HG GLU 27 2HG GLU 27 93.223 -4.518 -3.032 122 H SER 28 H SER 28 96.721 -0.297 -2.783 123 HA SER 28 HA SER 28 99.053 -1.987 -2.845 124 1HB SER 28 1HB SER 28 98.341 -0.083 -4.500 125 2HB SER 28 2HB SER 28 99.123 0.970 -3.328 126 HG SER 28 HG SER 28 100.353 -1.279 -4.546 127 H ALA 29 H ALA 29 97.940 0.843 -1.087 128 HA ALA 29 HA ALA 29 100.188 1.435 0.413 129 1HB ALA 29 1HB ALA 29 98.286 2.881 0.500 130 2HB ALA 29 2HB ALA 29 98.587 2.294 2.136 131 3HB ALA 29 3HB ALA 29 97.277 1.603 1.179 132 H LYS 30 H LYS 30 97.982 -1.234 0.672 133 HA LYS 30 HA LYS 30 99.024 -2.056 3.261 134 1HB LYS 30 1HB LYS 30 96.734 -2.800 1.549 135 2HB LYS 30 2HB LYS 30 97.449 -4.121 2.463 136 1HG LYS 30 1HG LYS 30 96.952 -1.662 3.995 137 2HG LYS 30 2HG LYS 30 95.514 -2.496 3.401 138 1HD LYS 30 1HD LYS 30 95.808 -4.256 4.782 139 2HD LYS 30 2HD LYS 30 97.564 -4.225 4.614 140 1HE LYS 30 1HE LYS 30 97.664 -2.297 6.127 141 2HE LYS 30 2HE LYS 30 95.912 -2.352 6.305 142 1HZ LYS 30 1HZ LYS 30 96.017 -4.117 7.676 143 2HZ LYS 30 2HZ LYS 30 97.585 -3.558 7.971 144 3HZ LYS 30 3HZ LYS 30 97.331 -4.823 6.877 145 H THR 31 H THR 31 99.386 -2.820 -0.133 146 HA THR 31 HA THR 31 100.769 -5.303 0.350 147 HB THR 31 HB THR 31 101.153 -5.344 -2.048 148 HG1 THR 31 HG1 THR 31 101.621 -3.226 -2.493 149 1HG2 THR 31 1HG2 THR 31 98.509 -4.923 -0.951 150 2HG2 THR 31 2HG2 THR 31 99.070 -6.089 -2.149 151 3HG2 THR 31 3HG2 THR 31 98.618 -4.460 -2.650 152 H ALA 32 H ALA 32 101.616 -1.949 -0.079 153 HA ALA 32 HA ALA 32 104.467 -2.647 -0.131 154 1HB ALA 32 1HB ALA 32 103.640 0.171 -0.444 155 2HB ALA 32 2HB ALA 32 103.180 -0.937 -1.737 156 3HB ALA 32 3HB ALA 32 104.877 -0.751 -1.295 157 H ALA 33 H ALA 33 102.304 -2.247 2.183 158 HA ALA 33 HA ALA 33 103.680 -0.283 3.811 159 1HB ALA 33 1HB ALA 33 101.147 -1.790 3.984 160 2HB ALA 33 2HB ALA 33 101.495 -0.104 4.365 161 3HB ALA 33 3HB ALA 33 101.916 -1.373 5.515 162 H GLN 34 H GLN 34 102.875 -3.744 4.149 163 HA GLN 34 HA GLN 34 104.487 -4.216 6.387 164 1HB GLN 34 1HB GLN 34 102.700 -5.701 5.022 165 2HB GLN 34 2HB GLN 34 104.192 -6.424 4.433 166 1HG GLN 34 1HG GLN 34 104.872 -6.744 6.819 167 2HG GLN 34 2HG GLN 34 103.250 -6.227 7.281 168 1HE2 GLN 34 1HE2 GLN 34 104.374 -8.733 7.890 169 2HE2 GLN 34 2HE2 GLN 34 103.454 -9.948 7.076 170 H ASN 35 H ASN 35 105.306 -3.770 3.088 171 HA ASN 35 HA ASN 35 107.833 -5.127 3.175 172 1HB ASN 35 1HB ASN 35 106.288 -4.478 1.132 173 2HB ASN 35 2HB ASN 35 107.221 -2.989 1.180 174 1HD2 ASN 35 1HD2 ASN 35 109.663 -3.424 1.417 175 2HD2 ASN 35 2HD2 ASN 35 110.305 -4.622 0.350 176 H LEU 36 H LEU 36 106.963 -1.692 2.801 177 HA LEU 36 HA LEU 36 109.527 -0.678 3.268 178 1HB LEU 36 1HB LEU 36 108.522 1.458 3.456 179 2HB LEU 36 2HB LEU 36 107.578 0.560 2.284 180 HG LEU 36 HG LEU 36 106.062 0.021 4.364 181 1HD1 LEU 36 1HD1 LEU 36 106.827 0.966 6.239 182 2HD1 LEU 36 2HD1 LEU 36 106.198 2.473 5.573 183 3HD1 LEU 36 3HD1 LEU 36 107.899 2.058 5.362 184 1HD2 LEU 36 1HD2 LEU 36 106.122 2.143 2.394 185 2HD2 LEU 36 2HD2 LEU 36 105.253 2.624 3.851 186 3HD2 LEU 36 3HD2 LEU 36 104.766 1.176 2.971 187 H TYR 37 H TYR 37 106.918 -1.474 5.495 188 HA TYR 37 HA TYR 37 108.188 -0.333 7.787 189 1HB TYR 37 1HB TYR 37 105.653 -1.169 7.251 190 2HB TYR 37 2HB TYR 37 106.244 -2.508 8.229 191 HD1 TYR 37 HD1 TYR 37 107.145 -2.014 10.537 192 HD2 TYR 37 HD2 TYR 37 105.032 0.877 8.241 193 HE1 TYR 37 HE1 TYR 37 106.717 -0.714 12.579 194 HE2 TYR 37 HE2 TYR 37 104.599 2.187 10.276 195 HH TYR 37 HH TYR 37 104.482 1.857 12.688 196 H GLU 38 H GLU 38 108.886 -3.061 5.986 197 HA GLU 38 HA GLU 38 109.904 -4.576 8.270 198 1HB GLU 38 1HB GLU 38 109.166 -5.224 5.480 199 2HB GLU 38 2HB GLU 38 110.539 -6.107 6.135 200 1HG GLU 38 1HG GLU 38 109.140 -6.809 8.038 201 2HG GLU 38 2HG GLU 38 107.765 -5.991 7.297 202 H LYS 39 H LYS 39 110.964 -2.573 5.650 203 HA LYS 39 HA LYS 39 113.747 -3.054 6.474 204 1HB LYS 39 1HB LYS 39 112.610 -2.856 3.703 205 2HB LYS 39 2HB LYS 39 114.288 -2.437 4.015 206 1HG LYS 39 1HG LYS 39 114.730 -4.661 4.847 207 2HG LYS 39 2HG LYS 39 113.030 -5.094 4.661 208 1HD LYS 39 1HD LYS 39 113.456 -4.344 2.174 209 2HD LYS 39 2HD LYS 39 115.133 -4.705 2.587 210 1HE LYS 39 1HE LYS 39 113.107 -6.721 3.349 211 2HE LYS 39 2HE LYS 39 113.431 -6.536 1.626 212 1HZ LYS 39 1HZ LYS 39 115.735 -6.988 1.995 213 2HZ LYS 39 2HZ LYS 39 114.837 -8.221 2.726 214 3HZ LYS 39 3HZ LYS 39 115.527 -7.003 3.675 215 H THR 40 H THR 40 111.501 -0.912 6.878 216 HA THR 40 HA THR 40 113.350 1.335 6.669 217 HB THR 40 HB THR 40 110.537 1.886 5.864 218 HG1 THR 40 HG1 THR 40 112.468 0.898 4.043 219 1HG2 THR 40 1HG2 THR 40 111.712 3.432 4.281 220 2HG2 THR 40 2HG2 THR 40 113.216 3.000 5.095 221 3HG2 THR 40 3HG2 THR 40 111.922 3.793 5.994 222 H TYR 41 H TYR 41 111.707 -0.435 8.697 223 HA TYR 41 HA TYR 41 111.174 1.806 10.490 224 1HB TYR 41 1HB TYR 41 109.071 0.676 9.226 225 2HB TYR 41 2HB TYR 41 109.192 -0.387 10.623 226 HD1 TYR 41 HD1 TYR 41 109.093 0.642 12.934 227 HD2 TYR 41 HD2 TYR 41 108.112 2.819 9.412 228 HE1 TYR 41 HE1 TYR 41 107.892 2.297 14.299 229 HE2 TYR 41 HE2 TYR 41 106.909 4.480 10.768 230 HH TYR 41 HH TYR 41 107.087 5.270 13.297 231 H LEU 42 H LEU 42 113.283 -0.160 10.295 232 HA LEU 42 HA LEU 42 112.995 -1.350 12.958 233 1HB LEU 42 1HB LEU 42 113.591 -2.731 10.413 234 2HB LEU 42 2HB LEU 42 114.572 -3.198 11.788 235 HG LEU 42 HG LEU 42 112.221 -3.424 12.972 236 1HD1 LEU 42 1HD1 LEU 42 110.431 -4.003 11.579 237 2HD1 LEU 42 2HD1 LEU 42 111.464 -4.122 10.153 238 3HD1 LEU 42 3HD1 LEU 42 111.107 -2.543 10.855 239 1HD2 LEU 42 1HD2 LEU 42 112.566 -5.653 12.856 240 2HD2 LEU 42 2HD2 LEU 42 114.081 -5.155 12.104 241 3HD2 LEU 42 3HD2 LEU 42 112.718 -5.649 11.099 242 HA PRO 43 HA PRO 43 117.682 -0.727 12.367 243 1HB PRO 43 1HB PRO 43 118.716 -0.149 9.946 244 2HB PRO 43 2HB PRO 43 118.380 -1.809 10.451 245 1HG PRO 43 1HG PRO 43 116.755 0.005 8.709 246 2HG PRO 43 2HG PRO 43 117.137 -1.712 8.485 247 1HD PRO 43 1HD PRO 43 114.766 -0.841 9.487 248 2HD PRO 43 2HD PRO 43 115.493 -2.395 9.937 249 H ALA 44 H ALA 44 116.051 1.230 13.103 250 HA ALA 44 HA ALA 44 117.558 3.595 12.647 251 1HB ALA 44 1HB ALA 44 116.254 4.841 11.258 252 2HB ALA 44 2HB ALA 44 114.771 4.001 11.712 253 3HB ALA 44 3HB ALA 44 115.909 3.243 10.599 254 H VAL 45 H VAL 45 116.506 1.950 14.827 255 HA VAL 45 HA VAL 45 114.451 3.487 16.121 256 HB VAL 45 HB VAL 45 114.577 1.120 16.566 257 1HG1 VAL 45 1HG1 VAL 45 117.399 1.753 17.179 258 2HG1 VAL 45 2HG1 VAL 45 116.694 0.323 16.427 259 3HG1 VAL 45 3HG1 VAL 45 116.625 0.521 18.177 260 1HG2 VAL 45 1HG2 VAL 45 115.270 2.812 18.960 261 2HG2 VAL 45 2HG2 VAL 45 114.651 1.164 19.055 262 3HG2 VAL 45 3HG2 VAL 45 113.660 2.438 18.344 263 H ASP 46 H ASP 46 117.894 3.541 15.953 264 HA ASP 46 HA ASP 46 118.220 5.109 18.366 265 1HB ASP 46 1HB ASP 46 119.938 3.456 17.592 266 2HB ASP 46 2HB ASP 46 120.257 4.503 16.213 267 H GLU 47 H GLU 47 117.692 5.628 14.993 268 HA GLU 47 HA GLU 47 118.417 8.467 15.262 269 1HB GLU 47 1HB GLU 47 118.125 6.638 12.897 270 2HB GLU 47 2HB GLU 47 118.041 8.382 12.694 271 1HG GLU 47 1HG GLU 47 120.350 7.034 14.055 272 2HG GLU 47 2HG GLU 47 120.289 7.284 12.311 273 H LYS 48 H LYS 48 115.789 6.266 14.690 274 HA LYS 48 HA LYS 48 113.931 8.539 14.427 275 1HB LYS 48 1HB LYS 48 113.250 5.706 13.694 276 2HB LYS 48 2HB LYS 48 112.480 7.194 13.164 277 1HG LYS 48 1HG LYS 48 114.580 7.738 11.919 278 2HG LYS 48 2HG LYS 48 115.159 6.121 12.322 279 1HD LYS 48 1HD LYS 48 114.173 6.164 10.090 280 2HD LYS 48 2HD LYS 48 113.231 5.142 11.178 281 1HE LYS 48 1HE LYS 48 112.229 7.812 11.316 282 2HE LYS 48 2HE LYS 48 112.350 7.336 9.623 283 1HZ LYS 48 1HZ LYS 48 110.901 5.568 9.937 284 2HZ LYS 48 2HZ LYS 48 110.212 6.791 10.880 285 3HZ LYS 48 3HZ LYS 48 111.099 5.554 11.617 286 H LEU 49 H LEU 49 113.937 5.178 15.619 287 HA LEU 49 HA LEU 49 113.022 4.225 17.472 288 1HB LEU 49 1HB LEU 49 114.386 6.371 18.380 289 2HB LEU 49 2HB LEU 49 112.776 6.783 18.934 290 HG LEU 49 HG LEU 49 113.579 4.026 19.548 291 1HD1 LEU 49 1HD1 LEU 49 114.853 5.219 21.600 292 2HD1 LEU 49 2HD1 LEU 49 115.297 6.300 20.278 293 3HD1 LEU 49 3HD1 LEU 49 115.669 4.579 20.173 294 1HD2 LEU 49 1HD2 LEU 49 112.172 4.313 21.273 295 2HD2 LEU 49 2HD2 LEU 49 111.637 5.730 20.370 296 3HD2 LEU 49 3HD2 LEU 49 112.817 5.906 21.668 297 H ARG 50 H ARG 50 111.366 5.979 15.442 298 HA ARG 50 HA ARG 50 108.857 5.153 16.001 299 1HB ARG 50 1HB ARG 50 107.825 7.309 16.963 300 2HB ARG 50 2HB ARG 50 108.642 6.218 18.073 301 1HG ARG 50 1HG ARG 50 110.659 7.910 17.283 302 2HG ARG 50 2HG ARG 50 109.253 8.972 17.362 303 1HD ARG 50 1HD ARG 50 109.017 7.460 19.648 304 2HD ARG 50 2HD ARG 50 110.760 7.690 19.505 305 HE ARG 50 HE ARG 50 109.789 10.178 19.120 306 1HH1 ARG 50 1HH1 ARG 50 109.253 7.783 21.600 307 2HH1 ARG 50 2HH1 ARG 50 108.951 8.954 22.840 308 1HH2 ARG 50 1HH2 ARG 50 109.394 11.719 20.749 309 2HH2 ARG 50 2HH2 ARG 50 109.030 11.188 22.358 310 H ASP 51 H ASP 51 110.599 8.126 15.125 311 HA ASP 51 HA ASP 51 110.157 8.206 12.469 312 1HB ASP 51 1HB ASP 51 107.661 8.746 13.887 313 2HB ASP 51 2HB ASP 51 108.095 10.029 12.765 314 H LEU 52 H LEU 52 111.872 9.199 14.537 315 HA LEU 52 HA LEU 52 111.645 12.057 14.601 316 1HB LEU 52 1HB LEU 52 113.538 10.040 15.680 317 2HB LEU 52 2HB LEU 52 114.133 11.678 15.480 318 HG LEU 52 HG LEU 52 111.545 11.366 16.896 319 1HD1 LEU 52 1HD1 LEU 52 114.083 10.165 17.813 320 2HD1 LEU 52 2HD1 LEU 52 112.416 9.742 18.205 321 3HD1 LEU 52 3HD1 LEU 52 113.185 11.118 18.995 322 1HD2 LEU 52 1HD2 LEU 52 113.947 13.148 17.006 323 2HD2 LEU 52 2HD2 LEU 52 112.805 13.092 18.349 324 3HD2 LEU 52 3HD2 LEU 52 112.255 13.569 16.743 325 H TYR 53 H TYR 53 112.335 10.164 12.126 326 HA TYR 53 HA TYR 53 114.630 11.660 11.118 327 1HB TYR 53 1HB TYR 53 113.697 9.017 10.769 328 2HB TYR 53 2HB TYR 53 113.543 9.807 9.205 329 HD1 TYR 53 HD1 TYR 53 116.125 10.426 11.806 330 HD2 TYR 53 HD2 TYR 53 115.267 8.796 7.971 331 HE1 TYR 53 HE1 TYR 53 118.530 10.097 11.415 332 HE2 TYR 53 HE2 TYR 53 117.669 8.462 7.570 333 HH TYR 53 HH TYR 53 119.729 8.240 8.792 334 H SER 54 H SER 54 111.226 11.079 10.423 335 HA SER 54 HA SER 54 109.722 12.140 9.092 336 1HB SER 54 1HB SER 54 110.644 14.034 10.617 337 2HB SER 54 2HB SER 54 111.459 14.590 9.155 338 HG SER 54 HG SER 54 109.601 15.566 8.872 339 H LYS 55 H LYS 55 111.421 10.583 7.669 340 HA LYS 55 HA LYS 55 112.216 10.177 5.575 341 1HB LYS 55 1HB LYS 55 110.211 12.341 5.185 342 2HB LYS 55 2HB LYS 55 111.274 11.971 3.835 343 1HG LYS 55 1HG LYS 55 110.543 9.504 4.347 344 2HG LYS 55 2HG LYS 55 109.162 10.305 5.099 345 1HD LYS 55 1HD LYS 55 108.317 10.181 3.003 346 2HD LYS 55 2HD LYS 55 109.264 11.655 2.777 347 1HE LYS 55 1HE LYS 55 110.127 10.537 1.025 348 2HE LYS 55 2HE LYS 55 111.135 9.775 2.256 349 1HZ LYS 55 1HZ LYS 55 108.556 8.681 1.268 350 2HZ LYS 55 2HZ LYS 55 109.609 7.935 2.360 351 3HZ LYS 55 3HZ LYS 55 110.084 8.167 0.752 352 H SER 56 H SER 56 113.543 12.241 7.416 353 HA SER 56 HA SER 56 114.758 14.249 5.910 354 1HB SER 56 1HB SER 56 114.984 14.342 8.280 355 2HB SER 56 2HB SER 56 115.698 12.730 8.345 356 HG SER 56 HG SER 56 117.541 13.543 7.357 357 H THR 57 H THR 57 115.961 11.002 6.681 358 HA THR 57 HA THR 57 117.334 10.897 4.128 359 HB THR 57 HB THR 57 118.880 10.331 6.648 360 HG1 THR 57 HG1 THR 57 119.364 12.359 6.796 361 1HG2 THR 57 1HG2 THR 57 120.668 9.910 5.372 362 2HG2 THR 57 2HG2 THR 57 120.260 11.166 4.203 363 3HG2 THR 57 3HG2 THR 57 119.468 9.592 4.120 364 H ALA 58 H ALA 58 115.127 9.535 5.651 365 HA ALA 58 HA ALA 58 116.062 6.877 6.187 366 1HB ALA 58 1HB ALA 58 114.186 7.190 7.421 367 2HB ALA 58 2HB ALA 58 113.409 6.542 5.976 368 3HB ALA 58 3HB ALA 58 113.462 8.285 6.243 369 H ALA 59 H ALA 59 114.195 8.424 3.599 370 HA ALA 59 HA ALA 59 114.086 6.038 2.008 371 1HB ALA 59 1HB ALA 59 112.988 7.378 0.360 372 2HB ALA 59 2HB ALA 59 113.549 8.867 1.121 373 3HB ALA 59 3HB ALA 59 112.367 7.849 1.943 374 H MET 60 H MET 60 116.382 8.541 2.498 375 HA MET 60 HA MET 60 117.690 8.127 -0.067 376 1HB MET 60 1HB MET 60 117.544 10.392 0.958 377 2HB MET 60 2HB MET 60 118.560 9.827 2.276 378 1HG MET 60 1HG MET 60 120.446 9.782 0.993 379 2HG MET 60 2HG MET 60 119.555 9.515 -0.505 380 1HE MET 60 1HE MET 60 121.781 12.628 -0.704 381 2HE MET 60 2HE MET 60 120.774 12.075 -2.043 382 3HE MET 60 3HE MET 60 121.592 10.902 -1.010 383 H SER 61 H SER 61 117.953 7.104 3.241 384 HA SER 61 HA SER 61 120.517 5.790 2.647 385 1HB SER 61 1HB SER 61 119.243 6.395 5.326 386 2HB SER 61 2HB SER 61 120.802 5.606 5.090 387 HG SER 61 HG SER 61 121.621 7.524 4.964 388 H THR 62 H THR 62 117.997 4.765 1.707 389 HA THR 62 HA THR 62 117.580 2.412 3.398 390 HB THR 62 HB THR 62 115.861 2.455 1.115 391 HG1 THR 62 HG1 THR 62 115.962 4.865 2.600 392 1HG2 THR 62 1HG2 THR 62 115.123 1.365 3.065 393 2HG2 THR 62 2HG2 THR 62 114.088 2.778 2.867 394 3HG2 THR 62 3HG2 THR 62 115.390 2.799 4.056 395 H TYR 63 H TYR 63 119.119 3.407 0.535 396 HA TYR 63 HA TYR 63 118.976 1.297 -1.188 397 1HB TYR 63 1HB TYR 63 121.045 3.298 -0.531 398 2HB TYR 63 2HB TYR 63 121.608 1.866 -1.378 399 HD1 TYR 63 HD1 TYR 63 119.512 1.227 -3.237 400 HD2 TYR 63 HD2 TYR 63 120.932 5.053 -2.033 401 HE1 TYR 63 HE1 TYR 63 118.738 2.180 -5.368 402 HE2 TYR 63 HE2 TYR 63 120.161 6.015 -4.160 403 HH TYR 63 HH TYR 63 118.068 4.411 -6.253 404 H THR 64 H THR 64 120.516 1.408 1.919 405 HA THR 64 HA THR 64 122.313 -0.676 1.800 406 HB THR 64 HB THR 64 120.478 -0.406 4.160 407 HG1 THR 64 HG1 THR 64 120.858 1.681 3.916 408 1HG2 THR 64 1HG2 THR 64 123.422 -0.895 3.844 409 2HG2 THR 64 2HG2 THR 64 122.204 -1.983 4.509 410 3HG2 THR 64 3HG2 THR 64 122.655 -0.522 5.388 411 H GLY 65 H GLY 65 118.841 -0.771 1.679 412 1HA GLY 65 1HA GLY 65 118.923 -3.718 1.834 413 2HA GLY 65 2HA GLY 65 117.507 -2.740 2.188 414 H ILE 66 H ILE 66 118.813 -1.275 -0.425 415 HA ILE 66 HA ILE 66 117.193 -2.894 -2.275 416 HB ILE 66 HB ILE 66 117.916 -0.008 -2.677 417 1HG1 ILE 66 1HG1 ILE 66 115.371 -1.074 -1.436 418 2HG1 ILE 66 2HG1 ILE 66 116.665 -0.286 -0.541 419 1HG2 ILE 66 1HG2 ILE 66 115.405 -0.984 -3.763 420 2HG2 ILE 66 2HG2 ILE 66 116.799 -1.884 -4.359 421 3HG2 ILE 66 3HG2 ILE 66 116.728 -0.133 -4.559 422 1HD1 ILE 66 1HD1 ILE 66 116.142 1.784 -1.342 423 2HD1 ILE 66 2HD1 ILE 66 114.545 1.037 -1.325 424 3HD1 ILE 66 3HD1 ILE 66 115.447 1.154 -2.836 425 H PHE 67 H PHE 67 120.356 -1.955 -1.539 426 HA PHE 67 HA PHE 67 121.660 -1.473 -3.876 427 1HB PHE 67 1HB PHE 67 122.553 -1.894 -1.443 428 2HB PHE 67 2HB PHE 67 122.814 -3.533 -2.032 429 HD1 PHE 67 HD1 PHE 67 123.267 -0.190 -3.623 430 HD2 PHE 67 HD2 PHE 67 125.060 -3.848 -2.390 431 HE1 PHE 67 HE1 PHE 67 125.397 0.517 -4.632 432 HE2 PHE 67 HE2 PHE 67 127.193 -3.147 -3.396 433 HZ PHE 67 HZ PHE 67 127.363 -0.961 -4.518 434 H THR 68 H THR 68 120.212 -4.478 -2.866 435 HA THR 68 HA THR 68 121.172 -5.773 -5.325 436 HB THR 68 HB THR 68 119.891 -7.206 -3.009 437 HG1 THR 68 HG1 THR 68 121.610 -6.255 -2.050 438 1HG2 THR 68 1HG2 THR 68 120.781 -8.091 -5.478 439 2HG2 THR 68 2HG2 THR 68 120.409 -9.078 -4.064 440 3HG2 THR 68 3HG2 THR 68 122.064 -8.538 -4.352 441 H ASP 69 H ASP 69 118.387 -4.600 -3.662 442 HA ASP 69 HA ASP 69 116.458 -6.134 -5.117 443 1HB ASP 69 1HB ASP 69 116.281 -4.770 -2.831 444 2HB ASP 69 2HB ASP 69 115.726 -3.504 -3.922 445 H GLN 70 H GLN 70 117.982 -2.992 -5.483 446 HA GLN 70 HA GLN 70 116.312 -2.060 -7.580 447 1HB GLN 70 1HB GLN 70 117.890 -0.700 -6.084 448 2HB GLN 70 2HB GLN 70 119.178 -1.233 -7.157 449 1HG GLN 70 1HG GLN 70 116.820 -0.059 -8.471 450 2HG GLN 70 2HG GLN 70 117.787 1.040 -7.489 451 1HE2 GLN 70 1HE2 GLN 70 120.289 0.399 -7.859 452 2HE2 GLN 70 2HE2 GLN 70 120.746 0.456 -9.525 453 H VAL 71 H VAL 71 119.170 -4.067 -7.453 454 HA VAL 71 HA VAL 71 119.535 -3.999 -10.332 455 HB VAL 71 HB VAL 71 120.961 -5.586 -8.197 456 1HG1 VAL 71 1HG1 VAL 71 121.645 -5.217 -11.114 457 2HG1 VAL 71 2HG1 VAL 71 121.077 -6.708 -10.360 458 3HG1 VAL 71 3HG1 VAL 71 122.649 -6.039 -9.918 459 1HG2 VAL 71 1HG2 VAL 71 121.481 -2.944 -9.490 460 2HG2 VAL 71 2HG2 VAL 71 122.830 -3.929 -8.923 461 3HG2 VAL 71 3HG2 VAL 71 121.585 -3.401 -7.790 462 H LEU 72 H LEU 72 118.406 -6.215 -7.829 463 HA LEU 72 HA LEU 72 118.142 -8.517 -9.404 464 1HB LEU 72 1HB LEU 72 116.950 -7.549 -6.855 465 2HB LEU 72 2HB LEU 72 116.186 -8.916 -7.643 466 HG LEU 72 HG LEU 72 119.135 -8.969 -7.148 467 1HD1 LEU 72 1HD1 LEU 72 118.362 -10.263 -4.999 468 2HD1 LEU 72 2HD1 LEU 72 116.969 -9.189 -5.120 469 3HD1 LEU 72 3HD1 LEU 72 118.591 -8.514 -4.972 470 1HD2 LEU 72 1HD2 LEU 72 118.779 -11.351 -7.082 471 2HD2 LEU 72 2HD2 LEU 72 118.032 -10.692 -8.538 472 3HD2 LEU 72 3HD2 LEU 72 117.031 -11.127 -7.152 473 H SER 73 H SER 73 116.169 -5.667 -9.145 474 HA SER 73 HA SER 73 113.866 -6.832 -10.414 475 1HB SER 73 1HB SER 73 114.628 -4.032 -9.610 476 2HB SER 73 2HB SER 73 113.190 -4.344 -10.581 477 HG SER 73 HG SER 73 113.774 -5.303 -7.981 478 H VAL 74 H VAL 74 116.788 -5.300 -11.443 479 HA VAL 74 HA VAL 74 116.027 -4.273 -13.922 480 HB VAL 74 HB VAL 74 118.668 -5.514 -13.136 481 1HG1 VAL 74 1HG1 VAL 74 118.517 -5.401 -15.541 482 2HG1 VAL 74 2HG1 VAL 74 119.598 -4.129 -14.971 483 3HG1 VAL 74 3HG1 VAL 74 117.951 -3.733 -15.463 484 1HG2 VAL 74 1HG2 VAL 74 117.667 -2.673 -13.052 485 2HG2 VAL 74 2HG2 VAL 74 119.348 -3.148 -12.804 486 3HG2 VAL 74 3HG2 VAL 74 118.103 -3.692 -11.680 487 H LEU 75 H LEU 75 116.697 -7.551 -12.898 488 HA LEU 75 HA LEU 75 117.055 -8.792 -15.366 489 1HB LEU 75 1HB LEU 75 117.019 -9.661 -12.825 490 2HB LEU 75 2HB LEU 75 115.435 -10.218 -13.331 491 HG LEU 75 HG LEU 75 116.804 -11.213 -15.365 492 1HD1 LEU 75 1HD1 LEU 75 118.968 -10.502 -14.987 493 2HD1 LEU 75 2HD1 LEU 75 118.980 -12.122 -14.291 494 3HD1 LEU 75 3HD1 LEU 75 118.844 -10.711 -13.241 495 1HD2 LEU 75 1HD2 LEU 75 115.452 -12.368 -13.539 496 2HD2 LEU 75 2HD2 LEU 75 116.989 -12.590 -12.703 497 3HD2 LEU 75 3HD2 LEU 75 116.742 -13.301 -14.298 498 H LYS 76 H LYS 76 114.221 -7.458 -13.907 499 HA LYS 76 HA LYS 76 112.723 -7.509 -16.264 500 1HB LYS 76 1HB LYS 76 112.640 -9.964 -15.715 501 2HB LYS 76 2HB LYS 76 111.762 -9.546 -14.250 502 1HG LYS 76 1HG LYS 76 110.038 -8.457 -15.708 503 2HG LYS 76 2HG LYS 76 110.875 -9.156 -17.095 504 1HD LYS 76 1HD LYS 76 110.173 -10.982 -14.866 505 2HD LYS 76 2HD LYS 76 108.851 -10.388 -15.872 506 1HE LYS 76 1HE LYS 76 109.825 -11.296 -17.837 507 2HE LYS 76 2HE LYS 76 111.344 -11.636 -17.007 508 1HZ LYS 76 1HZ LYS 76 110.524 -13.508 -16.083 509 2HZ LYS 76 2HZ LYS 76 109.485 -13.470 -17.417 510 3HZ LYS 76 3HZ LYS 76 108.955 -12.895 -15.916 511 H GLY 77 H GLY 77 111.676 -5.681 -16.032 512 1HA GLY 77 1HA GLY 77 109.730 -4.605 -15.004 513 2HA GLY 77 2HA GLY 77 110.355 -5.135 -13.448 514 H GLU 78 H GLU 78 113.074 -4.351 -14.928 515 HA GLU 78 HA GLU 78 114.559 -2.657 -14.559 516 1HB GLU 78 1HB GLU 78 113.387 -2.010 -16.636 517 2HB GLU 78 2HB GLU 78 112.262 -1.055 -15.683 518 1HG GLU 78 1HG GLU 78 114.836 -0.219 -14.936 519 2HG GLU 78 2HG GLU 78 114.841 -0.345 -16.694 520 H GLU 79 H GLU 79 112.846 -3.262 -12.288 521 HA GLU 79 HA GLU 79 112.362 -0.665 -11.052 522 1HB GLU 79 1HB GLU 79 110.978 -2.978 -10.885 523 2HB GLU 79 2HB GLU 79 112.016 -3.148 -9.475 524 1HG GLU 79 1HG GLU 79 109.936 -2.152 -8.820 525 2HG GLU 79 2HG GLU 79 111.225 -0.959 -8.666 Start of MODEL 8 1 H THR 13 H THR 13 99.266 -12.361 20.795 2 HA THR 13 HA THR 13 101.412 -11.647 20.048 3 HB THR 13 HB THR 13 100.744 -11.351 17.650 4 HG1 THR 13 HG1 THR 13 98.478 -11.405 17.240 5 1HG2 THR 13 1HG2 THR 13 99.555 -13.436 17.391 6 2HG2 THR 13 2HG2 THR 13 99.131 -13.434 19.103 7 3HG2 THR 13 3HG2 THR 13 100.817 -13.599 18.611 8 H PHE 14 H PHE 14 102.805 -10.061 19.479 9 HA PHE 14 HA PHE 14 101.774 -7.304 19.567 10 1HB PHE 14 1HB PHE 14 103.716 -8.454 21.154 11 2HB PHE 14 2HB PHE 14 104.666 -7.634 19.920 12 HD1 PHE 14 HD1 PHE 14 103.496 -7.250 23.080 13 HD2 PHE 14 HD2 PHE 14 103.499 -5.185 19.359 14 HE1 PHE 14 HE1 PHE 14 103.184 -5.118 24.267 15 HE2 PHE 14 HE2 PHE 14 103.188 -3.050 20.539 16 HZ PHE 14 HZ PHE 14 103.031 -3.013 22.997 17 H LEU 15 H LEU 15 103.873 -9.554 17.887 18 HA LEU 15 HA LEU 15 104.625 -7.580 15.898 19 1HB LEU 15 1HB LEU 15 105.927 -9.383 14.893 20 2HB LEU 15 2HB LEU 15 106.276 -9.228 16.605 21 HG LEU 15 HG LEU 15 104.407 -11.126 16.764 22 1HD1 LEU 15 1HD1 LEU 15 105.717 -12.151 14.335 23 2HD1 LEU 15 2HD1 LEU 15 104.496 -10.903 14.079 24 3HD1 LEU 15 3HD1 LEU 15 104.074 -12.390 14.931 25 1HD2 LEU 15 1HD2 LEU 15 106.466 -11.537 17.755 26 2HD2 LEU 15 2HD2 LEU 15 107.348 -11.327 16.242 27 3HD2 LEU 15 3HD2 LEU 15 106.376 -12.776 16.503 28 H THR 16 H THR 16 102.324 -10.146 16.339 29 HA THR 16 HA THR 16 101.640 -10.383 13.556 30 HB THR 16 HB THR 16 99.895 -11.251 15.847 31 HG1 THR 16 HG1 THR 16 101.130 -13.063 16.073 32 1HG2 THR 16 1HG2 THR 16 100.214 -13.206 13.822 33 2HG2 THR 16 2HG2 THR 16 99.817 -11.667 13.056 34 3HG2 THR 16 3HG2 THR 16 98.759 -12.333 14.299 35 H GLN 17 H GLN 17 100.567 -8.481 16.282 36 HA GLN 17 HA GLN 17 98.094 -7.648 15.202 37 1HB GLN 17 1HB GLN 17 97.890 -6.482 17.120 38 2HB GLN 17 2HB GLN 17 99.359 -7.312 17.605 39 1HG GLN 17 1HG GLN 17 100.697 -5.455 17.158 40 2HG GLN 17 2HG GLN 17 99.457 -4.686 16.165 41 1HE2 GLN 17 1HE2 GLN 17 100.894 -3.563 18.393 42 2HE2 GLN 17 2HE2 GLN 17 99.718 -3.138 19.585 43 H VAL 18 H VAL 18 101.315 -6.123 15.193 44 HA VAL 18 HA VAL 18 100.571 -3.886 13.644 45 HB VAL 18 HB VAL 18 103.323 -4.999 13.366 46 1HG1 VAL 18 1HG1 VAL 18 103.133 -2.967 12.296 47 2HG1 VAL 18 2HG1 VAL 18 103.754 -2.486 13.874 48 3HG1 VAL 18 3HG1 VAL 18 102.037 -2.310 13.512 49 1HG2 VAL 18 1HG2 VAL 18 103.656 -3.617 15.639 50 2HG2 VAL 18 2HG2 VAL 18 103.388 -5.359 15.607 51 3HG2 VAL 18 3HG2 VAL 18 102.043 -4.265 15.930 52 H LYS 19 H LYS 19 101.617 -7.133 12.837 53 HA LYS 19 HA LYS 19 102.116 -6.800 10.115 54 1HB LYS 19 1HB LYS 19 101.369 -9.076 11.867 55 2HB LYS 19 2HB LYS 19 101.097 -9.293 10.143 56 1HG LYS 19 1HG LYS 19 103.456 -8.749 9.721 57 2HG LYS 19 2HG LYS 19 103.714 -8.597 11.461 58 1HD LYS 19 1HD LYS 19 104.438 -10.775 10.854 59 2HD LYS 19 2HD LYS 19 102.888 -10.969 11.675 60 1HE LYS 19 1HE LYS 19 102.380 -12.250 9.896 61 2HE LYS 19 2HE LYS 19 102.070 -10.703 9.110 62 1HZ LYS 19 1HZ LYS 19 103.929 -10.862 7.859 63 2HZ LYS 19 2HZ LYS 19 103.691 -12.520 8.097 64 3HZ LYS 19 3HZ LYS 19 104.814 -11.683 9.045 65 H GLU 20 H GLU 20 99.155 -6.816 11.906 66 HA GLU 20 HA GLU 20 97.477 -7.258 9.594 67 1HB GLU 20 1HB GLU 20 97.069 -6.816 12.490 68 2HB GLU 20 2HB GLU 20 95.786 -6.228 11.441 69 1HG GLU 20 1HG GLU 20 94.985 -8.302 11.649 70 2HG GLU 20 2HG GLU 20 96.182 -8.697 10.416 71 H SER 21 H SER 21 99.153 -4.639 10.951 72 HA SER 21 HA SER 21 97.425 -2.666 9.642 73 1HB SER 21 1HB SER 21 98.854 -2.699 12.109 74 2HB SER 21 2HB SER 21 99.529 -1.433 11.090 75 HG SER 21 HG SER 21 97.729 -0.737 12.378 76 H LEU 22 H LEU 22 100.900 -3.432 10.094 77 HA LEU 22 HA LEU 22 101.864 -1.681 8.138 78 1HB LEU 22 1HB LEU 22 103.902 -2.943 8.189 79 2HB LEU 22 2HB LEU 22 103.266 -2.843 9.820 80 HG LEU 22 HG LEU 22 102.196 -5.194 9.080 81 1HD1 LEU 22 1HD1 LEU 22 103.629 -4.748 6.877 82 2HD1 LEU 22 2HD1 LEU 22 103.356 -6.364 7.527 83 3HD1 LEU 22 3HD1 LEU 22 104.870 -5.524 7.861 84 1HD2 LEU 22 1HD2 LEU 22 104.994 -4.772 10.126 85 2HD2 LEU 22 2HD2 LEU 22 104.057 -6.259 10.270 86 3HD2 LEU 22 3HD2 LEU 22 103.513 -4.792 11.086 87 H SER 23 H SER 23 100.151 -4.617 7.861 88 HA SER 23 HA SER 23 100.884 -4.917 5.037 89 1HB SER 23 1HB SER 23 100.827 -6.870 6.795 90 2HB SER 23 2HB SER 23 99.092 -6.838 6.481 91 HG SER 23 HG SER 23 100.688 -8.183 5.109 92 H SER 24 H SER 24 98.363 -3.821 7.117 93 HA SER 24 HA SER 24 96.404 -3.931 4.944 94 1HB SER 24 1HB SER 24 95.697 -4.702 7.194 95 2HB SER 24 2HB SER 24 96.008 -3.084 7.823 96 HG SER 24 HG SER 24 94.078 -3.859 5.897 97 H TYR 25 H TYR 25 98.722 -1.860 6.075 98 HA TYR 25 HA TYR 25 97.260 0.485 5.062 99 1HB TYR 25 1HB TYR 25 99.184 0.191 7.336 100 2HB TYR 25 2HB TYR 25 99.142 1.712 6.452 101 HD1 TYR 25 HD1 TYR 25 97.211 -0.566 8.604 102 HD2 TYR 25 HD2 TYR 25 97.292 3.225 6.673 103 HE1 TYR 25 HE1 TYR 25 95.282 0.153 9.948 104 HE2 TYR 25 HE2 TYR 25 95.363 3.955 8.014 105 HH TYR 25 HH TYR 25 93.380 1.923 9.641 106 H TRP 26 H TRP 26 99.621 -1.716 4.380 107 HA TRP 26 HA TRP 26 101.330 0.166 2.933 108 1HB TRP 26 1HB TRP 26 102.442 -1.592 4.260 109 2HB TRP 26 2HB TRP 26 101.601 -2.826 3.328 110 HD1 TRP 26 HD1 TRP 26 102.141 -2.452 0.475 111 HE1 TRP 26 HE1 TRP 26 104.479 -2.218 -0.568 112 HE3 TRP 26 HE3 TRP 26 104.736 -0.982 4.628 113 HZ2 TRP 26 HZ2 TRP 26 107.083 -1.504 0.259 114 HZ3 TRP 26 HZ3 TRP 26 107.148 -0.544 4.416 115 HH2 TRP 26 HH2 TRP 26 108.295 -0.801 2.276 116 H GLU 27 H GLU 27 98.927 -2.307 2.503 117 HA GLU 27 HA GLU 27 99.269 -2.379 -0.376 118 1HB GLU 27 1HB GLU 27 98.464 -4.291 1.293 119 2HB GLU 27 2HB GLU 27 96.890 -3.584 0.954 120 1HG GLU 27 1HG GLU 27 97.098 -4.034 -1.370 121 2HG GLU 27 2HG GLU 27 98.791 -4.494 -1.189 122 H SER 28 H SER 28 97.450 -0.658 1.964 123 HA SER 28 HA SER 28 95.387 0.176 0.118 124 1HB SER 28 1HB SER 28 95.245 -0.120 2.724 125 2HB SER 28 2HB SER 28 95.911 1.508 2.750 126 HG SER 28 HG SER 28 94.136 2.205 1.540 127 H ALA 29 H ALA 29 98.224 1.527 1.694 128 HA ALA 29 HA ALA 29 98.056 4.153 0.801 129 1HB ALA 29 1HB ALA 29 99.762 3.920 2.299 130 2HB ALA 29 2HB ALA 29 100.697 3.875 0.804 131 3HB ALA 29 3HB ALA 29 100.284 2.373 1.632 132 H LYS 30 H LYS 30 98.868 1.243 -0.899 133 HA LYS 30 HA LYS 30 99.854 2.701 -3.221 134 1HB LYS 30 1HB LYS 30 100.743 0.419 -2.276 135 2HB LYS 30 2HB LYS 30 99.397 -0.259 -3.181 136 1HG LYS 30 1HG LYS 30 101.258 1.616 -4.554 137 2HG LYS 30 2HG LYS 30 101.770 -0.047 -4.257 138 1HD LYS 30 1HD LYS 30 99.064 0.251 -5.375 139 2HD LYS 30 2HD LYS 30 100.376 0.761 -6.439 140 1HE LYS 30 1HE LYS 30 101.436 -1.395 -6.242 141 2HE LYS 30 2HE LYS 30 100.246 -1.910 -5.046 142 1HZ LYS 30 1HZ LYS 30 99.898 -1.512 -7.945 143 2HZ LYS 30 2HZ LYS 30 98.564 -1.431 -6.908 144 3HZ LYS 30 3HZ LYS 30 99.482 -2.849 -6.996 145 H THR 31 H THR 31 96.978 1.154 -2.041 146 HA THR 31 HA THR 31 95.724 0.881 -4.609 147 HB THR 31 HB THR 31 94.544 0.807 -1.824 148 HG1 THR 31 HG1 THR 31 95.428 -1.240 -3.570 149 1HG2 THR 31 1HG2 THR 31 92.872 1.229 -3.629 150 2HG2 THR 31 2HG2 THR 31 92.635 -0.270 -2.729 151 3HG2 THR 31 3HG2 THR 31 93.348 -0.313 -4.341 152 H ALA 32 H ALA 32 95.955 3.363 -2.176 153 HA ALA 32 HA ALA 32 93.978 4.979 -3.644 154 1HB ALA 32 1HB ALA 32 93.567 4.534 -1.209 155 2HB ALA 32 2HB ALA 32 93.611 6.238 -1.662 156 3HB ALA 32 3HB ALA 32 94.999 5.502 -0.861 157 H ALA 33 H ALA 33 97.119 4.513 -3.823 158 HA ALA 33 HA ALA 33 97.950 7.312 -3.728 159 1HB ALA 33 1HB ALA 33 99.709 6.184 -2.851 160 2HB ALA 33 2HB ALA 33 100.164 6.044 -4.550 161 3HB ALA 33 3HB ALA 33 99.347 4.706 -3.743 162 H GLN 34 H GLN 34 97.994 4.593 -6.028 163 HA GLN 34 HA GLN 34 98.764 6.109 -8.266 164 1HB GLN 34 1HB GLN 34 97.231 3.513 -8.072 165 2HB GLN 34 2HB GLN 34 97.820 4.190 -9.585 166 1HG GLN 34 1HG GLN 34 99.967 4.098 -7.711 167 2HG GLN 34 2HG GLN 34 99.177 2.523 -7.765 168 1HE2 GLN 34 1HE2 GLN 34 101.820 3.281 -8.691 169 2HE2 GLN 34 2HE2 GLN 34 101.873 2.902 -10.376 170 H ASN 35 H ASN 35 95.784 5.901 -6.598 171 HA ASN 35 HA ASN 35 94.070 6.591 -8.779 172 1HB ASN 35 1HB ASN 35 93.561 5.511 -6.417 173 2HB ASN 35 2HB ASN 35 93.359 7.190 -5.942 174 1HD2 ASN 35 1HD2 ASN 35 91.151 6.496 -5.515 175 2HD2 ASN 35 2HD2 ASN 35 90.012 6.488 -6.812 176 H LEU 36 H LEU 36 95.122 8.402 -5.897 177 HA LEU 36 HA LEU 36 94.221 10.903 -6.928 178 1HB LEU 36 1HB LEU 36 95.223 11.882 -4.975 179 2HB LEU 36 2HB LEU 36 94.392 10.408 -4.517 180 HG LEU 36 HG LEU 36 96.866 9.416 -4.884 181 1HD1 LEU 36 1HD1 LEU 36 98.423 11.066 -3.780 182 2HD1 LEU 36 2HD1 LEU 36 97.214 12.304 -4.122 183 3HD1 LEU 36 3HD1 LEU 36 97.976 11.425 -5.447 184 1HD2 LEU 36 1HD2 LEU 36 95.295 9.374 -2.873 185 2HD2 LEU 36 2HD2 LEU 36 96.159 10.810 -2.321 186 3HD2 LEU 36 3HD2 LEU 36 97.027 9.291 -2.551 187 H TYR 37 H TYR 37 97.347 9.272 -6.804 188 HA TYR 37 HA TYR 37 98.882 11.474 -7.712 189 1HB TYR 37 1HB TYR 37 99.406 8.503 -7.733 190 2HB TYR 37 2HB TYR 37 100.587 9.691 -8.270 191 HD1 TYR 37 HD1 TYR 37 100.238 11.826 -6.272 192 HD2 TYR 37 HD2 TYR 37 100.309 7.601 -5.785 193 HE1 TYR 37 HE1 TYR 37 101.009 12.113 -3.955 194 HE2 TYR 37 HE2 TYR 37 101.079 7.875 -3.466 195 HH TYR 37 HH TYR 37 100.957 10.797 -1.821 196 H GLU 38 H GLU 38 96.623 9.581 -9.324 197 HA GLU 38 HA GLU 38 97.921 9.834 -11.922 198 1HB GLU 38 1HB GLU 38 95.665 8.259 -10.829 199 2HB GLU 38 2HB GLU 38 95.526 8.749 -12.511 200 1HG GLU 38 1HG GLU 38 97.688 7.700 -12.985 201 2HG GLU 38 2HG GLU 38 97.796 7.186 -11.302 202 H LYS 39 H LYS 39 95.726 11.562 -9.971 203 HA LYS 39 HA LYS 39 95.112 13.304 -12.237 204 1HB LYS 39 1HB LYS 39 93.064 12.112 -10.371 205 2HB LYS 39 2HB LYS 39 92.744 13.514 -11.383 206 1HG LYS 39 1HG LYS 39 93.739 10.961 -12.581 207 2HG LYS 39 2HG LYS 39 92.028 11.187 -12.213 208 1HD LYS 39 1HD LYS 39 92.531 13.491 -13.507 209 2HD LYS 39 2HD LYS 39 93.707 12.437 -14.297 210 1HE LYS 39 1HE LYS 39 91.518 10.849 -14.310 211 2HE LYS 39 2HE LYS 39 90.766 12.439 -14.433 212 1HZ LYS 39 1HZ LYS 39 91.291 11.408 -16.601 213 2HZ LYS 39 2HZ LYS 39 92.936 11.482 -16.217 214 3HZ LYS 39 3HZ LYS 39 92.042 12.908 -16.380 215 H THR 40 H THR 40 96.926 13.544 -9.947 216 HA THR 40 HA THR 40 95.670 15.856 -8.630 217 HB THR 40 HB THR 40 96.152 14.042 -7.046 218 HG1 THR 40 HG1 THR 40 97.294 15.321 -5.582 219 1HG2 THR 40 1HG2 THR 40 99.077 14.496 -7.474 220 2HG2 THR 40 2HG2 THR 40 98.204 13.215 -8.316 221 3HG2 THR 40 3HG2 THR 40 98.269 13.226 -6.555 222 H TYR 41 H TYR 41 98.875 14.610 -9.543 223 HA TYR 41 HA TYR 41 99.545 17.069 -10.842 224 1HB TYR 41 1HB TYR 41 99.964 17.041 -8.149 225 2HB TYR 41 2HB TYR 41 101.519 16.482 -8.749 226 HD1 TYR 41 HD1 TYR 41 99.569 19.323 -8.000 227 HD2 TYR 41 HD2 TYR 41 102.566 17.925 -10.677 228 HE1 TYR 41 HE1 TYR 41 100.210 21.647 -8.488 229 HE2 TYR 41 HE2 TYR 41 103.215 20.244 -11.171 230 HH TYR 41 HH TYR 41 101.754 22.643 -10.987 231 H LEU 42 H LEU 42 99.435 14.186 -11.400 232 HA LEU 42 HA LEU 42 101.973 13.976 -12.746 233 1HB LEU 42 1HB LEU 42 101.200 11.930 -10.666 234 2HB LEU 42 2HB LEU 42 102.508 11.741 -11.816 235 HG LEU 42 HG LEU 42 102.384 13.883 -9.692 236 1HD1 LEU 42 1HD1 LEU 42 102.827 12.098 -8.377 237 2HD1 LEU 42 2HD1 LEU 42 104.462 12.369 -8.982 238 3HD1 LEU 42 3HD1 LEU 42 103.445 11.126 -9.712 239 1HD2 LEU 42 1HD2 LEU 42 103.771 13.974 -12.019 240 2HD2 LEU 42 2HD2 LEU 42 104.931 13.162 -10.968 241 3HD2 LEU 42 3HD2 LEU 42 104.291 14.742 -10.520 242 HA PRO 43 HA PRO 43 98.715 12.187 -15.345 243 1HB PRO 43 1HB PRO 43 100.150 12.289 -17.655 244 2HB PRO 43 2HB PRO 43 99.285 13.680 -16.992 245 1HG PRO 43 1HG PRO 43 102.192 12.996 -16.814 246 2HG PRO 43 2HG PRO 43 101.426 14.568 -17.110 247 1HD PRO 43 1HD PRO 43 102.398 13.856 -14.686 248 2HD PRO 43 2HD PRO 43 100.990 14.920 -14.876 249 H ALA 44 H ALA 44 102.150 11.320 -15.773 250 HA ALA 44 HA ALA 44 101.462 8.502 -15.468 251 1HB ALA 44 1HB ALA 44 103.053 8.124 -17.533 252 2HB ALA 44 2HB ALA 44 102.476 9.728 -17.984 253 3HB ALA 44 3HB ALA 44 101.326 8.411 -17.750 254 H VAL 45 H VAL 45 103.104 10.749 -14.158 255 HA VAL 45 HA VAL 45 105.804 9.754 -14.289 256 HB VAL 45 HB VAL 45 104.953 11.459 -12.021 257 1HG1 VAL 45 1HG1 VAL 45 107.350 10.888 -13.555 258 2HG1 VAL 45 2HG1 VAL 45 107.178 11.515 -11.915 259 3HG1 VAL 45 3HG1 VAL 45 107.108 12.615 -13.292 260 1HG2 VAL 45 1HG2 VAL 45 105.191 13.480 -13.605 261 2HG2 VAL 45 2HG2 VAL 45 103.655 12.611 -13.578 262 3HG2 VAL 45 3HG2 VAL 45 104.805 12.329 -14.885 263 H ASP 46 H ASP 46 102.961 9.352 -12.312 264 HA ASP 46 HA ASP 46 104.226 8.054 -10.122 265 1HB ASP 46 1HB ASP 46 101.794 9.087 -10.398 266 2HB ASP 46 2HB ASP 46 101.396 7.433 -10.855 267 H GLU 47 H GLU 47 103.278 7.095 -13.298 268 HA GLU 47 HA GLU 47 103.757 4.267 -12.616 269 1HB GLU 47 1HB GLU 47 102.092 5.576 -14.746 270 2HB GLU 47 2HB GLU 47 102.655 3.922 -14.941 271 1HG GLU 47 1HG GLU 47 101.506 3.252 -12.927 272 2HG GLU 47 2HG GLU 47 101.012 4.918 -12.624 273 H LYS 48 H LYS 48 105.457 6.784 -13.611 274 HA LYS 48 HA LYS 48 107.083 5.178 -15.460 275 1HB LYS 48 1HB LYS 48 105.840 6.956 -16.676 276 2HB LYS 48 2HB LYS 48 106.627 8.159 -15.664 277 1HG LYS 48 1HG LYS 48 108.724 7.760 -16.619 278 2HG LYS 48 2HG LYS 48 108.205 6.229 -17.326 279 1HD LYS 48 1HD LYS 48 106.547 7.634 -18.683 280 2HD LYS 48 2HD LYS 48 107.514 9.024 -18.183 281 1HE LYS 48 1HE LYS 48 108.658 6.599 -19.557 282 2HE LYS 48 2HE LYS 48 108.121 8.043 -20.415 283 1HZ LYS 48 1HZ LYS 48 109.829 9.295 -19.558 284 2HZ LYS 48 2HZ LYS 48 110.591 7.796 -19.743 285 3HZ LYS 48 3HZ LYS 48 110.059 8.291 -18.215 286 H LEU 49 H LEU 49 107.042 7.941 -13.215 287 HA LEU 49 HA LEU 49 109.800 8.292 -12.979 288 1HB LEU 49 1HB LEU 49 107.751 9.607 -11.977 289 2HB LEU 49 2HB LEU 49 108.054 8.597 -10.578 290 HG LEU 49 HG LEU 49 109.133 10.819 -10.430 291 1HD1 LEU 49 1HD1 LEU 49 111.360 8.856 -10.645 292 2HD1 LEU 49 2HD1 LEU 49 110.055 8.542 -9.500 293 3HD1 LEU 49 3HD1 LEU 49 111.001 10.025 -9.373 294 1HD2 LEU 49 1HD2 LEU 49 109.641 10.680 -13.015 295 2HD2 LEU 49 2HD2 LEU 49 111.157 9.983 -12.442 296 3HD2 LEU 49 3HD2 LEU 49 110.677 11.599 -11.923 297 H ARG 50 H ARG 50 107.718 5.858 -11.624 298 HA ARG 50 HA ARG 50 109.929 4.836 -9.982 299 1HB ARG 50 1HB ARG 50 108.257 3.520 -8.801 300 2HB ARG 50 2HB ARG 50 107.795 5.216 -8.816 301 1HG ARG 50 1HG ARG 50 106.252 4.751 -10.679 302 2HG ARG 50 2HG ARG 50 106.678 3.041 -10.573 303 1HD ARG 50 1HD ARG 50 104.601 3.455 -9.398 304 2HD ARG 50 2HD ARG 50 105.862 3.002 -8.254 305 HE ARG 50 HE ARG 50 104.555 5.579 -8.490 306 1HH1 ARG 50 1HH1 ARG 50 107.202 3.755 -7.121 307 2HH1 ARG 50 2HH1 ARG 50 107.492 4.898 -5.854 308 1HH2 ARG 50 1HH2 ARG 50 104.941 7.077 -6.823 309 2HH2 ARG 50 2HH2 ARG 50 106.211 6.781 -5.684 310 H ASP 51 H ASP 51 107.733 4.009 -12.594 311 HA ASP 51 HA ASP 51 108.297 1.276 -12.795 312 1HB ASP 51 1HB ASP 51 107.227 3.356 -14.635 313 2HB ASP 51 2HB ASP 51 107.794 1.854 -15.359 314 H LEU 52 H LEU 52 109.897 4.073 -14.259 315 HA LEU 52 HA LEU 52 111.904 2.354 -15.475 316 1HB LEU 52 1HB LEU 52 110.793 4.699 -16.279 317 2HB LEU 52 2HB LEU 52 112.280 5.276 -15.549 318 HG LEU 52 HG LEU 52 112.621 3.009 -17.395 319 1HD1 LEU 52 1HD1 LEU 52 110.786 4.677 -18.312 320 2HD1 LEU 52 2HD1 LEU 52 112.031 3.998 -19.360 321 3HD1 LEU 52 3HD1 LEU 52 112.210 5.632 -18.722 322 1HD2 LEU 52 1HD2 LEU 52 114.256 4.807 -16.193 323 2HD2 LEU 52 2HD2 LEU 52 114.056 5.539 -17.785 324 3HD2 LEU 52 3HD2 LEU 52 114.670 3.892 -17.643 325 H TYR 53 H TYR 53 111.497 3.088 -12.462 326 HA TYR 53 HA TYR 53 114.297 3.814 -11.927 327 1HB TYR 53 1HB TYR 53 111.858 4.868 -10.922 328 2HB TYR 53 2HB TYR 53 112.666 4.035 -9.603 329 HD1 TYR 53 HD1 TYR 53 112.886 6.820 -11.981 330 HD2 TYR 53 HD2 TYR 53 114.760 4.856 -8.706 331 HE1 TYR 53 HE1 TYR 53 114.362 8.761 -11.671 332 HE2 TYR 53 HE2 TYR 53 116.242 6.792 -8.385 333 HH TYR 53 HH TYR 53 115.716 9.710 -9.467 334 H SER 54 H SER 54 111.685 1.595 -11.264 335 HA SER 54 HA SER 54 113.057 0.175 -9.204 336 1HB SER 54 1HB SER 54 110.588 0.212 -9.332 337 2HB SER 54 2HB SER 54 110.668 -0.696 -10.843 338 HG SER 54 HG SER 54 111.489 -1.551 -8.266 339 H LYS 55 H LYS 55 114.271 0.506 -11.891 340 HA LYS 55 HA LYS 55 115.339 -2.174 -12.097 341 1HB LYS 55 1HB LYS 55 113.334 -1.784 -13.751 342 2HB LYS 55 2HB LYS 55 114.522 -0.870 -14.669 343 1HG LYS 55 1HG LYS 55 114.456 -3.086 -15.536 344 2HG LYS 55 2HG LYS 55 115.980 -2.886 -14.669 345 1HD LYS 55 1HD LYS 55 115.409 -4.837 -13.702 346 2HD LYS 55 2HD LYS 55 114.381 -3.821 -12.689 347 1HE LYS 55 1HE LYS 55 112.632 -4.161 -14.579 348 2HE LYS 55 2HE LYS 55 113.638 -5.538 -15.025 349 1HZ LYS 55 1HZ LYS 55 112.795 -5.236 -12.229 350 2HZ LYS 55 2HZ LYS 55 113.139 -6.644 -13.100 351 3HZ LYS 55 3HZ LYS 55 111.682 -5.826 -13.359 352 H SER 56 H SER 56 115.579 1.208 -12.378 353 HA SER 56 HA SER 56 118.102 1.191 -13.804 354 1HB SER 56 1HB SER 56 116.299 3.312 -12.692 355 2HB SER 56 2HB SER 56 117.982 3.708 -13.038 356 HG SER 56 HG SER 56 117.647 3.133 -15.177 357 H THR 57 H THR 57 116.921 2.057 -10.566 358 HA THR 57 HA THR 57 119.631 1.529 -9.547 359 HB THR 57 HB THR 57 117.818 3.273 -7.981 360 HG1 THR 57 HG1 THR 57 117.929 4.939 -9.295 361 1HG2 THR 57 1HG2 THR 57 120.088 2.768 -7.197 362 2HG2 THR 57 2HG2 THR 57 119.832 4.491 -7.475 363 3HG2 THR 57 3HG2 THR 57 120.738 3.533 -8.647 364 H ALA 58 H ALA 58 117.009 -0.039 -9.852 365 HA ALA 58 HA ALA 58 116.305 -0.689 -7.130 366 1HB ALA 58 1HB ALA 58 115.468 -1.690 -9.824 367 2HB ALA 58 2HB ALA 58 114.492 -0.962 -8.550 368 3HB ALA 58 3HB ALA 58 115.077 -2.615 -8.376 369 H ALA 59 H ALA 59 117.820 -2.396 -9.853 370 HA ALA 59 HA ALA 59 118.677 -4.612 -8.298 371 1HB ALA 59 1HB ALA 59 118.432 -4.263 -10.916 372 2HB ALA 59 2HB ALA 59 119.548 -5.447 -10.234 373 3HB ALA 59 3HB ALA 59 120.148 -3.879 -10.772 374 H MET 60 H MET 60 119.898 -1.414 -8.737 375 HA MET 60 HA MET 60 122.595 -2.108 -7.905 376 1HB MET 60 1HB MET 60 121.923 -0.245 -9.574 377 2HB MET 60 2HB MET 60 121.516 0.687 -8.141 378 1HG MET 60 1HG MET 60 123.703 1.308 -8.754 379 2HG MET 60 2HG MET 60 123.853 0.279 -7.331 380 1HE MET 60 1HE MET 60 125.947 0.306 -11.001 381 2HE MET 60 2HE MET 60 124.379 1.071 -10.739 382 3HE MET 60 3HE MET 60 124.482 -0.449 -11.627 383 H SER 61 H SER 61 119.644 -0.843 -6.564 384 HA SER 61 HA SER 61 120.827 0.065 -4.106 385 1HB SER 61 1HB SER 61 118.044 -0.176 -5.174 386 2HB SER 61 2HB SER 61 118.279 0.023 -3.438 387 HG SER 61 HG SER 61 118.857 1.790 -5.534 388 H THR 62 H THR 62 118.444 -2.495 -4.766 389 HA THR 62 HA THR 62 118.029 -4.494 -3.791 390 HB THR 62 HB THR 62 120.880 -4.230 -2.971 391 HG1 THR 62 HG1 THR 62 121.422 -4.946 -4.902 392 1HG2 THR 62 1HG2 THR 62 120.603 -6.856 -3.380 393 2HG2 THR 62 2HG2 THR 62 118.987 -6.469 -2.789 394 3HG2 THR 62 3HG2 THR 62 120.400 -6.094 -1.803 395 H TYR 63 H TYR 63 118.432 -1.757 -2.135 396 HA TYR 63 HA TYR 63 119.001 -2.169 0.463 397 1HB TYR 63 1HB TYR 63 116.983 -0.492 -0.917 398 2HB TYR 63 2HB TYR 63 116.812 -0.685 0.820 399 HD1 TYR 63 HD1 TYR 63 119.470 -0.647 1.869 400 HD2 TYR 63 HD2 TYR 63 117.870 1.592 -1.376 401 HE1 TYR 63 HE1 TYR 63 121.172 1.090 2.236 402 HE2 TYR 63 HE2 TYR 63 119.568 3.333 -1.019 403 HH TYR 63 HH TYR 63 122.266 2.878 1.045 404 H THR 64 H THR 64 116.272 -3.452 -1.273 405 HA THR 64 HA THR 64 114.530 -4.154 0.738 406 HB THR 64 HB THR 64 115.302 -5.859 -1.642 407 HG1 THR 64 HG1 THR 64 114.613 -4.013 -2.513 408 1HG2 THR 64 1HG2 THR 64 113.944 -7.257 -0.405 409 2HG2 THR 64 2HG2 THR 64 112.801 -6.443 -1.474 410 3HG2 THR 64 3HG2 THR 64 112.958 -5.928 0.205 411 H GLY 65 H GLY 65 117.682 -5.455 -0.009 412 1HA GLY 65 1HA GLY 65 117.404 -7.842 1.555 413 2HA GLY 65 2HA GLY 65 118.907 -7.159 0.949 414 H ILE 66 H ILE 66 118.161 -4.528 2.279 415 HA ILE 66 HA ILE 66 119.018 -5.316 4.986 416 HB ILE 66 HB ILE 66 119.338 -2.577 3.800 417 1HG1 ILE 66 1HG1 ILE 66 121.396 -4.793 3.742 418 2HG1 ILE 66 2HG1 ILE 66 120.452 -4.280 2.347 419 1HG2 ILE 66 1HG2 ILE 66 119.649 -3.453 6.349 420 2HG2 ILE 66 2HG2 ILE 66 120.486 -2.063 5.660 421 3HG2 ILE 66 3HG2 ILE 66 121.287 -3.632 5.720 422 1HD1 ILE 66 1HD1 ILE 66 122.906 -3.269 3.235 423 2HD1 ILE 66 2HD1 ILE 66 121.711 -2.009 3.541 424 3HD1 ILE 66 3HD1 ILE 66 121.899 -2.669 1.916 425 H PHE 67 H PHE 67 116.454 -3.946 3.210 426 HA PHE 67 HA PHE 67 115.327 -2.000 4.723 427 1HB PHE 67 1HB PHE 67 114.431 -3.747 2.733 428 2HB PHE 67 2HB PHE 67 113.291 -3.960 4.058 429 HD1 PHE 67 HD1 PHE 67 114.516 -1.727 1.475 430 HD2 PHE 67 HD2 PHE 67 111.961 -2.059 4.863 431 HE1 PHE 67 HE1 PHE 67 113.362 0.340 0.804 432 HE2 PHE 67 HE2 PHE 67 110.802 0.006 4.197 433 HZ PHE 67 HZ PHE 67 111.502 1.209 2.163 434 H THR 68 H THR 68 115.581 -5.381 5.545 435 HA THR 68 HA THR 68 114.110 -4.892 8.043 436 HB THR 68 HB THR 68 114.859 -7.544 6.796 437 HG1 THR 68 HG1 THR 68 112.938 -7.555 5.868 438 1HG2 THR 68 1HG2 THR 68 114.252 -7.210 9.367 439 2HG2 THR 68 2HG2 THR 68 113.754 -8.623 8.437 440 3HG2 THR 68 3HG2 THR 68 112.622 -7.297 8.700 441 H ASP 69 H ASP 69 117.207 -5.630 6.697 442 HA ASP 69 HA ASP 69 118.384 -6.670 9.084 443 1HB ASP 69 1HB ASP 69 119.143 -6.705 6.499 444 2HB ASP 69 2HB ASP 69 120.112 -5.349 7.066 445 H GLN 70 H GLN 70 118.099 -3.491 7.607 446 HA GLN 70 HA GLN 70 119.876 -2.156 9.371 447 1HB GLN 70 1HB GLN 70 118.706 -1.449 7.063 448 2HB GLN 70 2HB GLN 70 117.603 -0.658 8.181 449 1HG GLN 70 1HG GLN 70 119.220 0.782 8.969 450 2HG GLN 70 2HG GLN 70 120.545 -0.269 8.476 451 1HE2 GLN 70 1HE2 GLN 70 120.916 2.216 7.825 452 2HE2 GLN 70 2HE2 GLN 70 120.609 2.524 6.154 453 H VAL 71 H VAL 71 116.482 -2.989 9.506 454 HA VAL 71 HA VAL 71 116.032 -1.379 11.882 455 HB VAL 71 HB VAL 71 114.208 -3.273 10.396 456 1HG1 VAL 71 1HG1 VAL 71 113.850 -1.677 12.881 457 2HG1 VAL 71 2HG1 VAL 71 113.198 -3.257 12.449 458 3HG1 VAL 71 3HG1 VAL 71 112.491 -1.795 11.762 459 1HG2 VAL 71 1HG2 VAL 71 113.104 -0.894 9.993 460 2HG2 VAL 71 2HG2 VAL 71 114.359 -1.537 8.934 461 3HG2 VAL 71 3HG2 VAL 71 114.776 -0.370 10.189 462 H LEU 72 H LEU 72 116.404 -4.758 10.961 463 HA LEU 72 HA LEU 72 115.654 -5.952 13.377 464 1HB LEU 72 1HB LEU 72 115.971 -7.220 11.320 465 2HB LEU 72 2HB LEU 72 117.686 -6.859 11.338 466 HG LEU 72 HG LEU 72 117.560 -8.059 13.699 467 1HD1 LEU 72 1HD1 LEU 72 115.401 -8.679 14.031 468 2HD1 LEU 72 2HD1 LEU 72 115.950 -10.096 13.137 469 3HD1 LEU 72 3HD1 LEU 72 115.058 -8.821 12.307 470 1HD2 LEU 72 1HD2 LEU 72 117.450 -9.882 11.346 471 2HD2 LEU 72 2HD2 LEU 72 118.573 -9.860 12.706 472 3HD2 LEU 72 3HD2 LEU 72 118.718 -8.659 11.423 473 H SER 73 H SER 73 118.587 -4.337 12.421 474 HA SER 73 HA SER 73 120.151 -5.312 14.627 475 1HB SER 73 1HB SER 73 120.633 -3.055 12.670 476 2HB SER 73 2HB SER 73 121.802 -3.597 13.874 477 HG SER 73 HG SER 73 121.958 -5.545 12.838 478 H VAL 74 H VAL 74 117.948 -2.710 14.087 479 HA VAL 74 HA VAL 74 118.819 -0.848 15.972 480 HB VAL 74 HB VAL 74 115.987 -1.497 15.137 481 1HG1 VAL 74 1HG1 VAL 74 115.794 1.048 15.795 482 2HG1 VAL 74 2HG1 VAL 74 117.134 0.640 16.866 483 3HG1 VAL 74 3HG1 VAL 74 115.602 -0.222 17.002 484 1HG2 VAL 74 1HG2 VAL 74 117.385 -0.880 13.260 485 2HG2 VAL 74 2HG2 VAL 74 117.959 0.547 14.123 486 3HG2 VAL 74 3HG2 VAL 74 116.269 0.434 13.631 487 H LEU 75 H LEU 75 117.102 -3.865 16.348 488 HA LEU 75 HA LEU 75 116.047 -3.557 18.904 489 1HB LEU 75 1HB LEU 75 117.198 -6.008 17.570 490 2HB LEU 75 2HB LEU 75 116.307 -6.046 19.079 491 HG LEU 75 HG LEU 75 115.111 -4.941 16.547 492 1HD1 LEU 75 1HD1 LEU 75 115.017 -7.775 17.573 493 2HD1 LEU 75 2HD1 LEU 75 115.758 -7.221 16.070 494 3HD1 LEU 75 3HD1 LEU 75 114.008 -7.127 16.279 495 1HD2 LEU 75 1HD2 LEU 75 113.508 -6.235 18.660 496 2HD2 LEU 75 2HD2 LEU 75 113.170 -4.799 17.693 497 3HD2 LEU 75 3HD2 LEU 75 114.254 -4.694 19.080 498 H LYS 76 H LYS 76 119.318 -3.874 17.855 499 HA LYS 76 HA LYS 76 120.311 -3.294 20.464 500 1HB LYS 76 1HB LYS 76 120.271 -6.080 19.536 501 2HB LYS 76 2HB LYS 76 121.861 -5.528 20.045 502 1HG LYS 76 1HG LYS 76 119.638 -4.868 21.859 503 2HG LYS 76 2HG LYS 76 120.035 -6.581 21.707 504 1HD LYS 76 1HD LYS 76 122.508 -5.505 21.958 505 2HD LYS 76 2HD LYS 76 121.559 -4.382 22.935 506 1HE LYS 76 1HE LYS 76 120.568 -6.732 23.808 507 2HE LYS 76 2HE LYS 76 122.212 -7.221 23.396 508 1HZ LYS 76 1HZ LYS 76 123.115 -5.759 24.935 509 2HZ LYS 76 2HZ LYS 76 121.758 -6.362 25.744 510 3HZ LYS 76 3HZ LYS 76 121.709 -4.823 25.043 511 H GLY 77 H GLY 77 121.720 -1.791 19.976 512 1HA GLY 77 1HA GLY 77 123.991 -1.350 19.206 513 2HA GLY 77 2HA GLY 77 123.620 -2.304 17.777 514 H GLU 78 H GLU 78 120.856 -0.755 18.186 515 HA GLU 78 HA GLU 78 119.837 0.867 16.943 516 1HB GLU 78 1HB GLU 78 120.653 2.047 18.955 517 2HB GLU 78 2HB GLU 78 122.113 2.485 18.083 518 1HG GLU 78 1HG GLU 78 121.100 4.311 17.363 519 2HG GLU 78 2HG GLU 78 119.963 3.300 16.473 520 H GLU 79 H GLU 79 121.831 -0.669 15.492 521 HA GLU 79 HA GLU 79 123.452 0.947 13.864 522 1HB GLU 79 1HB GLU 79 123.710 -1.496 14.053 523 2HB GLU 79 2HB GLU 79 122.187 -1.719 13.204 524 1HG GLU 79 1HG GLU 79 123.065 -1.115 11.176 525 2HG GLU 79 2HG GLU 79 124.339 -0.134 11.899 Start of MODEL 9 1 H THR 13 H THR 13 78.283 -16.238 -0.082 2 HA THR 13 HA THR 13 80.399 -17.008 0.669 3 HB THR 13 HB THR 13 82.397 -15.672 0.202 4 HG1 THR 13 HG1 THR 13 80.777 -14.205 -1.601 5 1HG2 THR 13 1HG2 THR 13 82.846 -16.806 -1.644 6 2HG2 THR 13 2HG2 THR 13 81.631 -15.922 -2.567 7 3HG2 THR 13 3HG2 THR 13 81.167 -17.342 -1.629 8 H PHE 14 H PHE 14 80.877 -16.436 2.725 9 HA PHE 14 HA PHE 14 79.786 -13.870 3.670 10 1HB PHE 14 1HB PHE 14 79.955 -16.589 4.920 11 2HB PHE 14 2HB PHE 14 79.916 -15.164 5.952 12 HD1 PHE 14 HD1 PHE 14 77.853 -14.704 6.818 13 HD2 PHE 14 HD2 PHE 14 78.113 -16.317 2.889 14 HE1 PHE 14 HE1 PHE 14 75.401 -14.635 6.632 15 HE2 PHE 14 HE2 PHE 14 75.662 -16.250 2.695 16 HZ PHE 14 HZ PHE 14 74.302 -15.408 4.567 17 H LEU 15 H LEU 15 82.520 -16.062 3.792 18 HA LEU 15 HA LEU 15 84.043 -14.299 5.516 19 1HB LEU 15 1HB LEU 15 85.850 -15.965 5.211 20 2HB LEU 15 2HB LEU 15 84.362 -16.658 5.828 21 HG LEU 15 HG LEU 15 84.695 -16.756 2.893 22 1HD1 LEU 15 1HD1 LEU 15 86.573 -18.080 4.794 23 2HD1 LEU 15 2HD1 LEU 15 86.882 -17.383 3.204 24 3HD1 LEU 15 3HD1 LEU 15 86.064 -18.940 3.340 25 1HD2 LEU 15 1HD2 LEU 15 82.880 -17.982 3.400 26 2HD2 LEU 15 2HD2 LEU 15 83.401 -18.258 5.062 27 3HD2 LEU 15 3HD2 LEU 15 84.060 -19.245 3.757 28 H THR 16 H THR 16 83.682 -15.009 2.129 29 HA THR 16 HA THR 16 86.109 -13.722 1.304 30 HB THR 16 HB THR 16 83.671 -14.268 -0.392 31 HG1 THR 16 HG1 THR 16 84.276 -16.184 0.635 32 1HG2 THR 16 1HG2 THR 16 85.113 -13.085 -1.742 33 2HG2 THR 16 2HG2 THR 16 85.568 -14.756 -2.074 34 3HG2 THR 16 3HG2 THR 16 86.551 -13.774 -0.988 35 H GLN 17 H GLN 17 82.833 -12.726 1.938 36 HA GLN 17 HA GLN 17 82.852 -10.300 0.515 37 1HB GLN 17 1HB GLN 17 80.785 -10.021 1.372 38 2HB GLN 17 2HB GLN 17 80.988 -11.655 1.980 39 1HG GLN 17 1HG GLN 17 81.498 -10.910 4.139 40 2HG GLN 17 2HG GLN 17 81.804 -9.261 3.590 41 1HE2 GLN 17 1HE2 GLN 17 79.265 -11.693 3.923 42 2HE2 GLN 17 2HE2 GLN 17 77.975 -10.572 4.174 43 H VAL 18 H VAL 18 83.606 -11.004 3.929 44 HA VAL 18 HA VAL 18 84.341 -8.372 4.618 45 HB VAL 18 HB VAL 18 85.746 -10.662 5.916 46 1HG1 VAL 18 1HG1 VAL 18 85.665 -9.348 7.831 47 2HG1 VAL 18 2HG1 VAL 18 84.291 -8.409 7.247 48 3HG1 VAL 18 3HG1 VAL 18 85.888 -8.170 6.538 49 1HG2 VAL 18 1HG2 VAL 18 82.790 -10.236 5.906 50 2HG2 VAL 18 2HG2 VAL 18 83.577 -10.802 7.380 51 3HG2 VAL 18 3HG2 VAL 18 83.709 -11.742 5.894 52 H LYS 19 H LYS 19 86.085 -11.053 3.185 53 HA LYS 19 HA LYS 19 88.693 -10.103 3.409 54 1HB LYS 19 1HB LYS 19 87.601 -12.315 2.324 55 2HB LYS 19 2HB LYS 19 87.935 -11.411 0.853 56 1HG LYS 19 1HG LYS 19 90.242 -11.390 1.254 57 2HG LYS 19 2HG LYS 19 90.037 -11.854 2.945 58 1HD LYS 19 1HD LYS 19 89.549 -14.067 2.407 59 2HD LYS 19 2HD LYS 19 89.129 -13.668 0.740 60 1HE LYS 19 1HE LYS 19 91.191 -14.595 0.413 61 2HE LYS 19 2HE LYS 19 91.651 -12.909 0.645 62 1HZ LYS 19 1HZ LYS 19 91.493 -14.563 3.038 63 2HZ LYS 19 2HZ LYS 19 92.598 -13.347 2.633 64 3HZ LYS 19 3HZ LYS 19 92.768 -14.896 1.976 65 H GLU 20 H GLU 20 86.047 -9.072 1.427 66 HA GLU 20 HA GLU 20 87.678 -7.558 -0.411 67 1HB GLU 20 1HB GLU 20 84.865 -8.232 -0.119 68 2HB GLU 20 2HB GLU 20 85.084 -6.536 -0.527 69 1HG GLU 20 1HG GLU 20 86.707 -8.388 -2.113 70 2HG GLU 20 2HG GLU 20 84.965 -8.571 -2.317 71 H SER 21 H SER 21 86.287 -7.103 2.697 72 HA SER 21 HA SER 21 86.562 -4.203 2.588 73 1HB SER 21 1HB SER 21 84.893 -6.027 4.013 74 2HB SER 21 2HB SER 21 85.827 -5.093 5.176 75 HG SER 21 HG SER 21 83.747 -4.181 4.380 76 H LEU 22 H LEU 22 87.627 -6.921 4.668 77 HA LEU 22 HA LEU 22 89.456 -5.418 6.179 78 1HB LEU 22 1HB LEU 22 90.368 -7.512 6.910 79 2HB LEU 22 2HB LEU 22 88.625 -7.671 6.793 80 HG LEU 22 HG LEU 22 89.354 -8.567 4.345 81 1HD1 LEU 22 1HD1 LEU 22 91.371 -9.598 4.265 82 2HD1 LEU 22 2HD1 LEU 22 91.405 -9.914 5.999 83 3HD1 LEU 22 3HD1 LEU 22 91.787 -8.304 5.389 84 1HD2 LEU 22 1HD2 LEU 22 87.835 -9.694 5.856 85 2HD2 LEU 22 2HD2 LEU 22 89.179 -10.160 6.900 86 3HD2 LEU 22 3HD2 LEU 22 89.052 -10.830 5.274 87 H SER 23 H SER 23 89.575 -6.507 2.957 88 HA SER 23 HA SER 23 92.475 -6.032 2.830 89 1HB SER 23 1HB SER 23 91.380 -8.273 2.033 90 2HB SER 23 2HB SER 23 90.938 -7.333 0.607 91 HG SER 23 HG SER 23 93.198 -6.805 0.423 92 H SER 24 H SER 24 89.519 -4.590 2.175 93 HA SER 24 HA SER 24 90.051 -3.357 -0.313 94 1HB SER 24 1HB SER 24 87.974 -3.287 1.665 95 2HB SER 24 2HB SER 24 88.387 -1.636 1.205 96 HG SER 24 HG SER 24 87.588 -1.970 -0.721 97 H TYR 25 H TYR 25 91.399 -2.847 2.746 98 HA TYR 25 HA TYR 25 92.255 -0.132 2.026 99 1HB TYR 25 1HB TYR 25 92.882 0.133 4.384 100 2HB TYR 25 2HB TYR 25 91.191 -0.329 4.235 101 HD1 TYR 25 HD1 TYR 25 90.381 -2.083 5.518 102 HD2 TYR 25 HD2 TYR 25 94.563 -1.830 4.784 103 HE1 TYR 25 HE1 TYR 25 90.757 -3.969 7.050 104 HE2 TYR 25 HE2 TYR 25 94.952 -3.715 6.314 105 HH TYR 25 HH TYR 25 93.115 -5.831 7.130 106 H TRP 26 H TRP 26 93.239 -3.327 2.020 107 HA TRP 26 HA TRP 26 96.075 -2.705 2.346 108 1HB TRP 26 1HB TRP 26 95.253 -4.760 3.405 109 2HB TRP 26 2HB TRP 26 94.667 -5.342 1.850 110 HD1 TRP 26 HD1 TRP 26 96.375 -6.556 0.293 111 HE1 TRP 26 HE1 TRP 26 98.844 -7.232 0.534 112 HE3 TRP 26 HE3 TRP 26 97.533 -3.911 4.512 113 HZ2 TRP 26 HZ2 TRP 26 101.001 -6.714 2.282 114 HZ3 TRP 26 HZ3 TRP 26 99.821 -4.055 5.404 115 HH2 TRP 26 HH2 TRP 26 101.518 -5.429 4.311 116 H GLU 27 H GLU 27 93.661 -3.340 -0.046 117 HA GLU 27 HA GLU 27 95.597 -3.710 -2.175 118 1HB GLU 27 1HB GLU 27 93.195 -4.772 -1.930 119 2HB GLU 27 2HB GLU 27 92.684 -3.267 -2.681 120 1HG GLU 27 1HG GLU 27 93.025 -4.321 -4.609 121 2HG GLU 27 2HG GLU 27 94.737 -4.040 -4.302 122 H SER 28 H SER 28 93.869 -1.171 -0.661 123 HA SER 28 HA SER 28 94.015 0.654 -2.886 124 1HB SER 28 1HB SER 28 92.316 0.604 -0.888 125 2HB SER 28 2HB SER 28 93.569 1.513 -0.052 126 HG SER 28 HG SER 28 92.077 2.887 -1.113 127 H ALA 29 H ALA 29 95.674 0.150 0.176 128 HA ALA 29 HA ALA 29 97.394 2.320 0.170 129 1HB ALA 29 1HB ALA 29 98.486 1.282 1.868 130 2HB ALA 29 2HB ALA 29 98.547 -0.268 1.030 131 3HB ALA 29 3HB ALA 29 97.060 0.247 1.826 132 H LYS 30 H LYS 30 97.437 -0.569 -1.759 133 HA LYS 30 HA LYS 30 100.100 -0.008 -2.800 134 1HB LYS 30 1HB LYS 30 99.269 -2.353 -2.303 135 2HB LYS 30 2HB LYS 30 98.194 -2.178 -3.683 136 1HG LYS 30 1HG LYS 30 100.129 -1.842 -5.143 137 2HG LYS 30 2HG LYS 30 101.202 -2.040 -3.756 138 1HD LYS 30 1HD LYS 30 101.177 -4.145 -4.792 139 2HD LYS 30 2HD LYS 30 100.070 -4.307 -3.426 140 1HE LYS 30 1HE LYS 30 98.853 -3.406 -5.952 141 2HE LYS 30 2HE LYS 30 99.481 -5.053 -5.958 142 1HZ LYS 30 1HZ LYS 30 97.344 -3.896 -4.290 143 2HZ LYS 30 2HZ LYS 30 98.182 -5.269 -3.768 144 3HZ LYS 30 3HZ LYS 30 97.320 -5.307 -5.223 145 H THR 31 H THR 31 96.745 0.385 -3.633 146 HA THR 31 HA THR 31 97.188 0.859 -6.425 147 HB THR 31 HB THR 31 94.820 1.549 -4.671 148 HG1 THR 31 HG1 THR 31 95.438 -0.732 -4.954 149 1HG2 THR 31 1HG2 THR 31 95.319 2.325 -7.323 150 2HG2 THR 31 2HG2 THR 31 93.816 2.458 -6.411 151 3HG2 THR 31 3HG2 THR 31 94.131 1.022 -7.384 152 H ALA 32 H ALA 32 97.226 2.781 -3.524 153 HA ALA 32 HA ALA 32 97.594 5.206 -5.162 154 1HB ALA 32 1HB ALA 32 95.680 4.908 -3.334 155 2HB ALA 32 2HB ALA 32 96.465 6.458 -3.642 156 3HB ALA 32 3HB ALA 32 96.978 5.465 -2.277 157 H ALA 33 H ALA 33 99.570 3.101 -4.222 158 HA ALA 33 HA ALA 33 101.297 4.736 -2.513 159 1HB ALA 33 1HB ALA 33 102.690 2.451 -2.836 160 2HB ALA 33 2HB ALA 33 101.049 1.851 -3.073 161 3HB ALA 33 3HB ALA 33 101.475 2.687 -1.580 162 H GLN 34 H GLN 34 101.442 2.900 -5.561 163 HA GLN 34 HA GLN 34 103.995 3.776 -6.335 164 1HB GLN 34 1HB GLN 34 102.412 1.902 -7.300 165 2HB GLN 34 2HB GLN 34 101.897 3.189 -8.382 166 1HG GLN 34 1HG GLN 34 103.560 2.283 -9.631 167 2HG GLN 34 2HG GLN 34 104.493 3.474 -8.723 168 1HE2 GLN 34 1HE2 GLN 34 105.213 0.865 -9.963 169 2HE2 GLN 34 2HE2 GLN 34 105.962 -0.040 -8.696 170 H ASN 35 H ASN 35 100.975 5.388 -6.296 171 HA ASN 35 HA ASN 35 101.614 7.313 -8.339 172 1HB ASN 35 1HB ASN 35 99.275 6.487 -7.432 173 2HB ASN 35 2HB ASN 35 99.509 7.787 -6.272 174 1HD2 ASN 35 1HD2 ASN 35 99.539 9.918 -6.986 175 2HD2 ASN 35 2HD2 ASN 35 98.943 10.372 -8.543 176 H LEU 36 H LEU 36 101.001 7.620 -4.842 177 HA LEU 36 HA LEU 36 102.098 10.207 -4.628 178 1HB LEU 36 1HB LEU 36 101.942 9.916 -2.250 179 2HB LEU 36 2HB LEU 36 100.521 9.215 -3.002 180 HG LEU 36 HG LEU 36 101.913 6.986 -2.844 181 1HD1 LEU 36 1HD1 LEU 36 103.380 8.882 -1.119 182 2HD1 LEU 36 2HD1 LEU 36 103.947 7.445 -1.971 183 3HD1 LEU 36 3HD1 LEU 36 103.068 7.280 -0.450 184 1HD2 LEU 36 1HD2 LEU 36 99.787 7.951 -1.549 185 2HD2 LEU 36 2HD2 LEU 36 100.917 7.857 -0.198 186 3HD2 LEU 36 3HD2 LEU 36 100.540 6.411 -1.133 187 H TYR 37 H TYR 37 103.524 7.031 -4.502 188 HA TYR 37 HA TYR 37 106.027 7.992 -3.418 189 1HB TYR 37 1HB TYR 37 105.193 5.729 -2.880 190 2HB TYR 37 2HB TYR 37 105.321 5.288 -4.580 191 HD1 TYR 37 HD1 TYR 37 107.249 6.169 -1.558 192 HD2 TYR 37 HD2 TYR 37 107.418 4.680 -5.539 193 HE1 TYR 37 HE1 TYR 37 109.576 5.466 -1.190 194 HE2 TYR 37 HE2 TYR 37 109.746 3.974 -5.183 195 HH TYR 37 HH TYR 37 111.125 3.546 -2.347 196 H GLU 38 H GLU 38 104.672 8.411 -6.332 197 HA GLU 38 HA GLU 38 107.191 8.046 -7.804 198 1HB GLU 38 1HB GLU 38 104.339 7.825 -8.563 199 2HB GLU 38 2HB GLU 38 105.395 8.570 -9.755 200 1HG GLU 38 1HG GLU 38 106.847 6.599 -9.689 201 2HG GLU 38 2HG GLU 38 105.765 5.852 -8.515 202 H LYS 39 H LYS 39 104.907 10.372 -6.649 203 HA LYS 39 HA LYS 39 106.579 12.502 -7.757 204 1HB LYS 39 1HB LYS 39 103.565 12.601 -7.903 205 2HB LYS 39 2HB LYS 39 104.701 13.778 -8.546 206 1HG LYS 39 1HG LYS 39 104.265 12.681 -10.466 207 2HG LYS 39 2HG LYS 39 105.543 11.620 -9.871 208 1HD LYS 39 1HD LYS 39 103.872 10.119 -10.441 209 2HD LYS 39 2HD LYS 39 103.603 10.347 -8.712 210 1HE LYS 39 1HE LYS 39 101.472 10.691 -9.371 211 2HE LYS 39 2HE LYS 39 102.060 12.322 -9.685 212 1HZ LYS 39 1HZ LYS 39 102.339 10.352 -11.825 213 2HZ LYS 39 2HZ LYS 39 102.014 12.009 -11.917 214 3HZ LYS 39 3HZ LYS 39 100.781 10.928 -11.500 215 H THR 40 H THR 40 106.263 11.353 -5.079 216 HA THR 40 HA THR 40 105.861 13.843 -3.670 217 HB THR 40 HB THR 40 104.359 11.628 -2.417 218 HG1 THR 40 HG1 THR 40 103.665 11.447 -4.569 219 1HG2 THR 40 1HG2 THR 40 103.373 14.406 -2.889 220 2HG2 THR 40 2HG2 THR 40 104.549 14.065 -1.620 221 3HG2 THR 40 3HG2 THR 40 102.970 13.279 -1.594 222 H TYR 41 H TYR 41 106.450 10.374 -3.402 223 HA TYR 41 HA TYR 41 108.322 10.925 -1.197 224 1HB TYR 41 1HB TYR 41 106.239 9.233 -1.097 225 2HB TYR 41 2HB TYR 41 107.456 8.142 -1.751 226 HD1 TYR 41 HD1 TYR 41 107.286 10.755 0.926 227 HD2 TYR 41 HD2 TYR 41 108.533 6.843 -0.188 228 HE1 TYR 41 HE1 TYR 41 108.173 10.400 3.192 229 HE2 TYR 41 HE2 TYR 41 109.423 6.476 2.075 230 HH TYR 41 HH TYR 41 110.223 7.820 3.980 231 H LEU 42 H LEU 42 108.954 11.252 -3.993 232 HA LEU 42 HA LEU 42 111.247 9.454 -4.095 233 1HB LEU 42 1HB LEU 42 109.011 9.025 -5.702 234 2HB LEU 42 2HB LEU 42 110.164 9.816 -6.758 235 HG LEU 42 HG LEU 42 110.275 7.339 -6.843 236 1HD1 LEU 42 1HD1 LEU 42 112.850 8.265 -5.665 237 2HD1 LEU 42 2HD1 LEU 42 112.254 9.023 -7.142 238 3HD1 LEU 42 3HD1 LEU 42 112.553 7.285 -7.102 239 1HD2 LEU 42 1HD2 LEU 42 109.770 7.105 -4.361 240 2HD2 LEU 42 2HD2 LEU 42 111.475 7.470 -4.092 241 3HD2 LEU 42 3HD2 LEU 42 111.014 6.045 -5.027 242 HA PRO 43 HA PRO 43 112.264 13.243 -6.738 243 1HB PRO 43 1HB PRO 43 110.088 14.871 -7.474 244 2HB PRO 43 2HB PRO 43 110.891 13.669 -8.481 245 1HG PRO 43 1HG PRO 43 108.253 13.554 -7.512 246 2HG PRO 43 2HG PRO 43 109.152 12.242 -8.290 247 1HD PRO 43 1HD PRO 43 108.646 12.745 -5.402 248 2HD PRO 43 2HD PRO 43 108.848 11.208 -6.266 249 H ALA 44 H ALA 44 111.980 13.309 -3.941 250 HA ALA 44 HA ALA 44 111.718 16.205 -3.505 251 1HB ALA 44 1HB ALA 44 109.778 14.789 -2.600 252 2HB ALA 44 2HB ALA 44 110.534 15.954 -1.513 253 3HB ALA 44 3HB ALA 44 110.931 14.240 -1.384 254 H VAL 45 H VAL 45 113.839 13.772 -3.613 255 HA VAL 45 HA VAL 45 115.253 13.920 -1.191 256 HB VAL 45 HB VAL 45 115.770 12.136 -2.669 257 1HG1 VAL 45 1HG1 VAL 45 116.338 14.291 -4.679 258 2HG1 VAL 45 2HG1 VAL 45 115.223 12.930 -4.803 259 3HG1 VAL 45 3HG1 VAL 45 116.963 12.654 -4.871 260 1HG2 VAL 45 1HG2 VAL 45 117.700 13.632 -1.470 261 2HG2 VAL 45 2HG2 VAL 45 118.293 13.557 -3.129 262 3HG2 VAL 45 3HG2 VAL 45 117.973 12.068 -2.240 263 H ASP 46 H ASP 46 115.234 15.927 -4.052 264 HA ASP 46 HA ASP 46 117.547 17.449 -3.447 265 1HB ASP 46 1HB ASP 46 115.150 17.904 -5.210 266 2HB ASP 46 2HB ASP 46 116.359 19.164 -4.983 267 H GLU 47 H GLU 47 114.297 17.444 -2.279 268 HA GLU 47 HA GLU 47 114.488 20.106 -1.136 269 1HB GLU 47 1HB GLU 47 112.363 18.027 -1.364 270 2HB GLU 47 2HB GLU 47 112.237 19.194 -0.054 271 1HG GLU 47 1HG GLU 47 112.361 19.792 -3.000 272 2HG GLU 47 2HG GLU 47 110.964 19.959 -1.937 273 H LYS 48 H LYS 48 114.029 16.787 0.106 274 HA LYS 48 HA LYS 48 115.941 16.834 2.073 275 1HB LYS 48 1HB LYS 48 114.372 17.208 4.108 276 2HB LYS 48 2HB LYS 48 115.043 18.604 3.278 277 1HG LYS 48 1HG LYS 48 113.024 19.195 2.349 278 2HG LYS 48 2HG LYS 48 112.375 17.557 2.457 279 1HD LYS 48 1HD LYS 48 113.038 18.715 5.054 280 2HD LYS 48 2HD LYS 48 111.812 19.630 4.175 281 1HE LYS 48 1HE LYS 48 110.951 17.804 5.692 282 2HE LYS 48 2HE LYS 48 110.382 17.755 4.025 283 1HZ LYS 48 1HZ LYS 48 111.232 15.606 5.166 284 2HZ LYS 48 2HZ LYS 48 112.765 16.209 4.783 285 3HZ LYS 48 3HZ LYS 48 111.643 15.913 3.553 286 H LEU 49 H LEU 49 115.003 14.861 0.464 287 HA LEU 49 HA LEU 49 113.323 13.147 2.151 288 1HB LEU 49 1HB LEU 49 113.186 13.583 -0.502 289 2HB LEU 49 2HB LEU 49 114.250 12.191 -0.492 290 HG LEU 49 HG LEU 49 112.006 11.415 -0.786 291 1HD1 LEU 49 1HD1 LEU 49 113.054 10.942 1.995 292 2HD1 LEU 49 2HD1 LEU 49 113.294 9.946 0.559 293 3HD1 LEU 49 3HD1 LEU 49 111.697 10.052 1.302 294 1HD2 LEU 49 1HD2 LEU 49 110.173 12.184 0.291 295 2HD2 LEU 49 2HD2 LEU 49 111.191 13.603 0.531 296 3HD2 LEU 49 3HD2 LEU 49 111.027 12.408 1.818 297 H ARG 50 H ARG 50 116.081 13.744 2.842 298 HA ARG 50 HA ARG 50 116.951 11.214 3.629 299 1HB ARG 50 1HB ARG 50 118.971 10.953 2.216 300 2HB ARG 50 2HB ARG 50 117.475 10.787 1.307 301 1HG ARG 50 1HG ARG 50 117.713 13.015 0.420 302 2HG ARG 50 2HG ARG 50 119.143 13.289 1.416 303 1HD ARG 50 1HD ARG 50 118.899 11.179 -0.725 304 2HD ARG 50 2HD ARG 50 119.689 12.741 -0.930 305 HE ARG 50 HE ARG 50 121.476 11.990 0.333 306 1HH1 ARG 50 1HH1 ARG 50 118.897 9.632 0.388 307 2HH1 ARG 50 2HH1 ARG 50 119.888 8.386 1.066 308 1HH2 ARG 50 1HH2 ARG 50 122.773 10.350 1.225 309 2HH2 ARG 50 2HH2 ARG 50 122.085 8.792 1.543 310 H ASP 51 H ASP 51 117.905 14.485 2.737 311 HA ASP 51 HA ASP 51 120.169 14.591 4.465 312 1HB ASP 51 1HB ASP 51 118.561 16.688 3.017 313 2HB ASP 51 2HB ASP 51 119.881 17.121 4.100 314 H LEU 52 H LEU 52 116.761 15.297 4.810 315 HA LEU 52 HA LEU 52 117.155 16.483 7.434 316 1HB LEU 52 1HB LEU 52 115.440 17.305 5.769 317 2HB LEU 52 2HB LEU 52 114.543 15.832 6.082 318 HG LEU 52 HG LEU 52 114.893 16.775 8.614 319 1HD1 LEU 52 1HD1 LEU 52 114.065 19.265 7.276 320 2HD1 LEU 52 2HD1 LEU 52 115.785 18.884 7.204 321 3HD1 LEU 52 3HD1 LEU 52 114.977 19.021 8.766 322 1HD2 LEU 52 1HD2 LEU 52 112.707 17.044 6.598 323 2HD2 LEU 52 2HD2 LEU 52 112.530 17.790 8.186 324 3HD2 LEU 52 3HD2 LEU 52 112.780 16.049 8.053 325 H TYR 53 H TYR 53 117.495 13.502 6.536 326 HA TYR 53 HA TYR 53 115.824 12.289 8.620 327 1HB TYR 53 1HB TYR 53 116.482 11.494 5.984 328 2HB TYR 53 2HB TYR 53 117.280 10.362 7.067 329 HD1 TYR 53 HD1 TYR 53 115.180 10.468 9.290 330 HD2 TYR 53 HD2 TYR 53 114.856 10.029 5.072 331 HE1 TYR 53 HE1 TYR 53 113.059 9.261 9.586 332 HE2 TYR 53 HE2 TYR 53 112.733 8.822 5.355 333 HH TYR 53 HH TYR 53 111.720 7.528 8.211 334 H SER 54 H SER 54 119.126 12.659 7.477 335 HA SER 54 HA SER 54 121.147 12.255 8.438 336 1HB SER 54 1HB SER 54 119.533 12.681 10.962 337 2HB SER 54 2HB SER 54 121.294 12.665 10.887 338 HG SER 54 HG SER 54 121.293 14.569 9.911 339 H LYS 55 H LYS 55 119.745 9.968 7.703 340 HA LYS 55 HA LYS 55 119.775 7.707 7.939 341 1HB LYS 55 1HB LYS 55 122.123 8.590 9.553 342 2HB LYS 55 2HB LYS 55 121.606 6.915 9.690 343 1HG LYS 55 1HG LYS 55 122.275 6.389 7.595 344 2HG LYS 55 2HG LYS 55 121.908 7.993 6.955 345 1HD LYS 55 1HD LYS 55 124.153 8.211 6.928 346 2HD LYS 55 2HD LYS 55 123.936 8.586 8.639 347 1HE LYS 55 1HE LYS 55 124.429 6.316 9.255 348 2HE LYS 55 2HE LYS 55 124.464 5.820 7.563 349 1HZ LYS 55 1HZ LYS 55 126.687 6.147 8.570 350 2HZ LYS 55 2HZ LYS 55 126.338 7.792 8.749 351 3HZ LYS 55 3HZ LYS 55 126.420 7.109 7.204 352 H SER 56 H SER 56 118.310 9.578 9.940 353 HA SER 56 HA SER 56 118.128 8.255 12.410 354 1HB SER 56 1HB SER 56 116.224 10.052 10.913 355 2HB SER 56 2HB SER 56 115.817 9.378 12.490 356 HG SER 56 HG SER 56 116.865 11.519 12.446 357 H THR 57 H THR 57 115.956 8.084 9.601 358 HA THR 57 HA THR 57 115.441 5.280 10.197 359 HB THR 57 HB THR 57 113.125 7.121 9.665 360 HG1 THR 57 HG1 THR 57 112.791 7.269 11.850 361 1HG2 THR 57 1HG2 THR 57 113.159 4.455 9.585 362 2HG2 THR 57 2HG2 THR 57 111.762 5.390 10.117 363 3HG2 THR 57 3HG2 THR 57 112.859 4.689 11.307 364 H ALA 58 H ALA 58 116.754 6.996 8.097 365 HA ALA 58 HA ALA 58 115.144 6.601 5.735 366 1HB ALA 58 1HB ALA 58 116.661 7.900 4.644 367 2HB ALA 58 2HB ALA 58 118.038 7.202 5.498 368 3HB ALA 58 3HB ALA 58 117.026 8.409 6.292 369 H ALA 59 H ALA 59 117.884 5.087 7.319 370 HA ALA 59 HA ALA 59 118.344 3.194 5.203 371 1HB ALA 59 1HB ALA 59 119.966 4.126 7.078 372 2HB ALA 59 2HB ALA 59 120.173 2.516 6.388 373 3HB ALA 59 3HB ALA 59 119.374 2.711 7.948 374 H MET 60 H MET 60 116.283 3.410 7.962 375 HA MET 60 HA MET 60 115.858 0.558 8.178 376 1HB MET 60 1HB MET 60 114.600 2.948 9.514 377 2HB MET 60 2HB MET 60 114.020 1.311 9.778 378 1HG MET 60 1HG MET 60 116.497 0.813 10.376 379 2HG MET 60 2HG MET 60 116.601 2.559 10.596 380 1HE MET 60 1HE MET 60 115.384 -0.779 12.756 381 2HE MET 60 2HE MET 60 114.628 -0.506 11.186 382 3HE MET 60 3HE MET 60 113.705 -0.246 12.667 383 H SER 61 H SER 61 114.448 3.249 6.504 384 HA SER 61 HA SER 61 112.206 1.540 5.647 385 1HB SER 61 1HB SER 61 112.377 4.560 5.534 386 2HB SER 61 2HB SER 61 110.970 3.569 5.144 387 HG SER 61 HG SER 61 111.336 4.597 7.399 388 H THR 62 H THR 62 114.795 1.294 4.512 389 HA THR 62 HA THR 62 114.467 2.521 1.867 390 HB THR 62 HB THR 62 116.945 1.106 2.158 391 HG1 THR 62 HG1 THR 62 116.335 2.973 4.198 392 1HG2 THR 62 1HG2 THR 62 116.047 3.518 1.066 393 2HG2 THR 62 2HG2 THR 62 117.663 2.818 0.967 394 3HG2 THR 62 3HG2 THR 62 117.267 3.944 2.267 395 H TYR 63 H TYR 63 114.178 -0.419 3.539 396 HA TYR 63 HA TYR 63 114.925 -2.381 1.802 397 1HB TYR 63 1HB TYR 63 112.788 -2.115 3.825 398 2HB TYR 63 2HB TYR 63 112.585 -3.409 2.653 399 HD1 TYR 63 HD1 TYR 63 115.490 -2.008 4.548 400 HD2 TYR 63 HD2 TYR 63 113.234 -5.455 3.488 401 HE1 TYR 63 HE1 TYR 63 117.041 -3.412 5.840 402 HE2 TYR 63 HE2 TYR 63 114.777 -6.869 4.778 403 HH TYR 63 HH TYR 63 117.083 -5.580 6.939 404 H THR 64 H THR 64 112.300 -0.130 1.462 405 HA THR 64 HA THR 64 110.664 -1.369 -0.380 406 HB THR 64 HB THR 64 111.424 1.511 -0.749 407 HG1 THR 64 HG1 THR 64 110.813 2.000 1.184 408 1HG2 THR 64 1HG2 THR 64 109.262 -0.114 -1.582 409 2HG2 THR 64 2HG2 THR 64 109.536 1.602 -1.882 410 3HG2 THR 64 3HG2 THR 64 108.645 1.088 -0.450 411 H GLY 65 H GLY 65 113.898 -0.163 -0.777 412 1HA GLY 65 1HA GLY 65 113.746 -0.792 -3.661 413 2HA GLY 65 2HA GLY 65 114.828 0.413 -2.981 414 H ILE 66 H ILE 66 114.782 -2.107 -0.832 415 HA ILE 66 HA ILE 66 117.158 -3.312 -2.083 416 HB ILE 66 HB ILE 66 116.553 -3.332 0.858 417 1HG1 ILE 66 1HG1 ILE 66 118.348 -1.364 -0.573 418 2HG1 ILE 66 2HG1 ILE 66 116.715 -0.986 -0.031 419 1HG2 ILE 66 1HG2 ILE 66 118.482 -4.429 1.093 420 2HG2 ILE 66 2HG2 ILE 66 119.329 -3.347 -0.014 421 3HG2 ILE 66 3HG2 ILE 66 118.401 -4.708 -0.646 422 1HD1 ILE 66 1HD1 ILE 66 118.699 -2.039 1.924 423 2HD1 ILE 66 2HD1 ILE 66 117.307 -0.989 2.185 424 3HD1 ILE 66 3HD1 ILE 66 118.765 -0.348 1.429 425 H PHE 67 H PHE 67 113.967 -3.915 -1.118 426 HA PHE 67 HA PHE 67 113.879 -6.421 -0.061 427 1HB PHE 67 1HB PHE 67 112.133 -4.926 -1.936 428 2HB PHE 67 2HB PHE 67 111.849 -6.659 -1.811 429 HD1 PHE 67 HD1 PHE 67 111.069 -3.515 -0.466 430 HD2 PHE 67 HD2 PHE 67 111.680 -7.579 0.640 431 HE1 PHE 67 HE1 PHE 67 109.769 -3.147 1.590 432 HE2 PHE 67 HE2 PHE 67 110.380 -7.218 2.697 433 HZ PHE 67 HZ PHE 67 109.421 -5.000 3.174 434 H THR 68 H THR 68 114.812 -5.538 -3.299 435 HA THR 68 HA THR 68 115.113 -8.375 -3.998 436 HB THR 68 HB THR 68 115.183 -5.984 -5.847 437 HG1 THR 68 HG1 THR 68 113.066 -7.818 -5.423 438 1HG2 THR 68 1HG2 THR 68 115.839 -7.392 -7.412 439 2HG2 THR 68 2HG2 THR 68 114.352 -8.309 -7.175 440 3HG2 THR 68 3HG2 THR 68 115.803 -8.735 -6.269 441 H ASP 69 H ASP 69 116.823 -5.448 -3.347 442 HA ASP 69 HA ASP 69 119.275 -6.215 -4.604 443 1HB ASP 69 1HB ASP 69 118.328 -3.849 -3.700 444 2HB ASP 69 2HB ASP 69 119.363 -4.298 -2.349 445 H GLN 70 H GLN 70 117.901 -6.491 -1.383 446 HA GLN 70 HA GLN 70 120.259 -7.415 -0.104 447 1HB GLN 70 1HB GLN 70 118.092 -6.507 0.960 448 2HB GLN 70 2HB GLN 70 117.466 -8.136 0.755 449 1HG GLN 70 1HG GLN 70 119.756 -8.731 1.977 450 2HG GLN 70 2HG GLN 70 119.512 -7.108 2.620 451 1HE2 GLN 70 1HE2 GLN 70 119.439 -9.665 3.996 452 2HE2 GLN 70 2HE2 GLN 70 117.873 -9.784 4.717 453 H VAL 71 H VAL 71 117.832 -8.919 -2.075 454 HA VAL 71 HA VAL 71 118.568 -11.611 -1.322 455 HB VAL 71 HB VAL 71 116.774 -10.616 -3.529 456 1HG1 VAL 71 1HG1 VAL 71 117.619 -12.859 -3.985 457 2HG1 VAL 71 2HG1 VAL 71 115.901 -12.905 -3.592 458 3HG1 VAL 71 3HG1 VAL 71 117.093 -13.391 -2.388 459 1HG2 VAL 71 1HG2 VAL 71 114.950 -10.877 -2.107 460 2HG2 VAL 71 2HG2 VAL 71 116.172 -10.135 -1.074 461 3HG2 VAL 71 3HG2 VAL 71 115.860 -11.868 -0.966 462 H LEU 72 H LEU 72 118.856 -9.549 -4.213 463 HA LEU 72 HA LEU 72 120.241 -11.441 -5.775 464 1HB LEU 72 1HB LEU 72 120.690 -9.690 -7.298 465 2HB LEU 72 2HB LEU 72 119.108 -9.367 -6.618 466 HG LEU 72 HG LEU 72 120.396 -7.803 -4.985 467 1HD1 LEU 72 1HD1 LEU 72 122.629 -8.067 -5.312 468 2HD1 LEU 72 2HD1 LEU 72 122.334 -6.801 -6.506 469 3HD1 LEU 72 3HD1 LEU 72 122.443 -8.486 -7.015 470 1HD2 LEU 72 1HD2 LEU 72 120.024 -5.967 -6.441 471 2HD2 LEU 72 2HD2 LEU 72 118.799 -7.176 -6.825 472 3HD2 LEU 72 3HD2 LEU 72 120.203 -6.980 -7.874 473 H SER 73 H SER 73 121.258 -9.365 -3.216 474 HA SER 73 HA SER 73 124.049 -9.405 -3.869 475 1HB SER 73 1HB SER 73 122.555 -8.644 -1.353 476 2HB SER 73 2HB SER 73 124.306 -8.522 -1.519 477 HG SER 73 HG SER 73 122.538 -6.738 -2.225 478 H VAL 74 H VAL 74 121.843 -11.426 -2.098 479 HA VAL 74 HA VAL 74 123.655 -12.813 -0.468 480 HB VAL 74 HB VAL 74 121.105 -13.825 -1.738 481 1HG1 VAL 74 1HG1 VAL 74 121.090 -15.512 0.017 482 2HG1 VAL 74 2HG1 VAL 74 122.629 -14.908 0.632 483 3HG1 VAL 74 3HG1 VAL 74 122.549 -15.655 -0.963 484 1HG2 VAL 74 1HG2 VAL 74 121.702 -12.102 0.569 485 2HG2 VAL 74 2HG2 VAL 74 120.529 -13.386 0.865 486 3HG2 VAL 74 3HG2 VAL 74 120.247 -12.212 -0.421 487 H LEU 75 H LEU 75 122.738 -13.239 -3.838 488 HA LEU 75 HA LEU 75 123.974 -15.721 -4.287 489 1HB LEU 75 1HB LEU 75 123.263 -13.409 -6.062 490 2HB LEU 75 2HB LEU 75 124.150 -14.780 -6.701 491 HG LEU 75 HG LEU 75 121.510 -15.100 -5.291 492 1HD1 LEU 75 1HD1 LEU 75 120.683 -15.371 -7.726 493 2HD1 LEU 75 2HD1 LEU 75 122.092 -14.394 -8.137 494 3HD1 LEU 75 3HD1 LEU 75 120.858 -13.751 -7.054 495 1HD2 LEU 75 1HD2 LEU 75 121.608 -17.272 -5.894 496 2HD2 LEU 75 2HD2 LEU 75 123.345 -16.964 -5.915 497 3HD2 LEU 75 3HD2 LEU 75 122.423 -16.925 -7.418 498 H LYS 76 H LYS 76 125.279 -12.592 -3.760 499 HA LYS 76 HA LYS 76 127.949 -13.598 -3.811 500 1HB LYS 76 1HB LYS 76 127.654 -13.171 -6.212 501 2HB LYS 76 2HB LYS 76 127.171 -11.516 -5.866 502 1HG LYS 76 1HG LYS 76 129.566 -11.586 -4.633 503 2HG LYS 76 2HG LYS 76 129.845 -12.733 -5.944 504 1HD LYS 76 1HD LYS 76 128.826 -9.908 -6.253 505 2HD LYS 76 2HD LYS 76 130.469 -10.456 -6.595 506 1HE LYS 76 1HE LYS 76 129.124 -12.191 -8.115 507 2HE LYS 76 2HE LYS 76 127.966 -10.862 -8.129 508 1HZ LYS 76 1HZ LYS 76 129.304 -10.396 -9.928 509 2HZ LYS 76 2HZ LYS 76 130.719 -10.929 -9.171 510 3HZ LYS 76 3HZ LYS 76 130.025 -9.454 -8.722 511 H GLY 77 H GLY 77 128.502 -12.851 -1.905 512 1HA GLY 77 1HA GLY 77 129.500 -10.873 -0.826 513 2HA GLY 77 2HA GLY 77 128.079 -9.980 -1.353 514 H GLU 78 H GLU 78 126.808 -12.826 -0.626 515 HA GLU 78 HA GLU 78 125.375 -13.460 1.032 516 1HB GLU 78 1HB GLU 78 127.559 -14.396 1.709 517 2HB GLU 78 2HB GLU 78 127.849 -12.966 2.688 518 1HG GLU 78 1HG GLU 78 126.309 -13.569 4.277 519 2HG GLU 78 2HG GLU 78 125.375 -14.554 3.153 520 H GLU 79 H GLU 79 125.341 -10.615 0.462 521 HA GLU 79 HA GLU 79 125.287 -9.027 2.764 522 1HB GLU 79 1HB GLU 79 125.148 -8.325 0.293 523 2HB GLU 79 2HB GLU 79 123.421 -8.621 0.438 524 1HG GLU 79 1HG GLU 79 124.680 -6.884 2.479 525 2HG GLU 79 2HG GLU 79 124.504 -6.237 0.848 Start of MODEL 10 1 H THR 13 H THR 13 92.665 -20.916 -0.234 2 HA THR 13 HA THR 13 91.561 -20.902 -2.227 3 HB THR 13 HB THR 13 90.029 -22.492 -0.160 4 HG1 THR 13 HG1 THR 13 92.126 -23.275 -1.897 5 1HG2 THR 13 1HG2 THR 13 88.636 -22.656 -2.014 6 2HG2 THR 13 2HG2 THR 13 89.677 -24.075 -2.133 7 3HG2 THR 13 3HG2 THR 13 89.987 -22.666 -3.148 8 H PHE 14 H PHE 14 88.623 -21.237 -0.319 9 HA PHE 14 HA PHE 14 87.234 -19.427 -2.066 10 1HB PHE 14 1HB PHE 14 86.130 -21.449 -1.210 11 2HB PHE 14 2HB PHE 14 86.296 -20.848 0.437 12 HD1 PHE 14 HD1 PHE 14 84.379 -20.015 1.357 13 HD2 PHE 14 HD2 PHE 14 85.015 -19.552 -2.825 14 HE1 PHE 14 HE1 PHE 14 82.211 -18.869 1.158 15 HE2 PHE 14 HE2 PHE 14 82.848 -18.404 -3.031 16 HZ PHE 14 HZ PHE 14 81.443 -18.061 -1.038 17 H LEU 15 H LEU 15 88.762 -19.280 1.032 18 HA LEU 15 HA LEU 15 87.463 -16.790 1.770 19 1HB LEU 15 1HB LEU 15 88.727 -16.923 3.809 20 2HB LEU 15 2HB LEU 15 88.019 -18.492 3.475 21 HG LEU 15 HG LEU 15 90.387 -18.936 2.365 22 1HD1 LEU 15 1HD1 LEU 15 91.482 -16.909 2.617 23 2HD1 LEU 15 2HD1 LEU 15 92.075 -17.849 3.987 24 3HD1 LEU 15 3HD1 LEU 15 90.818 -16.635 4.228 25 1HD2 LEU 15 1HD2 LEU 15 89.169 -19.965 4.423 26 2HD2 LEU 15 2HD2 LEU 15 90.302 -18.981 5.350 27 3HD2 LEU 15 3HD2 LEU 15 90.907 -20.197 4.225 28 H THR 16 H THR 16 90.408 -17.891 0.291 29 HA THR 16 HA THR 16 91.878 -15.467 0.670 30 HB THR 16 HB THR 16 92.385 -17.512 -1.484 31 HG1 THR 16 HG1 THR 16 93.283 -17.658 1.197 32 1HG2 THR 16 1HG2 THR 16 93.967 -15.392 -0.187 33 2HG2 THR 16 2HG2 THR 16 94.049 -16.036 -1.828 34 3HG2 THR 16 3HG2 THR 16 94.790 -16.921 -0.495 35 H GLN 17 H GLN 17 89.665 -16.690 -1.746 36 HA GLN 17 HA GLN 17 90.284 -14.862 -3.795 37 1HB GLN 17 1HB GLN 17 88.633 -15.893 -4.930 38 2HB GLN 17 2HB GLN 17 88.606 -17.007 -3.573 39 1HG GLN 17 1HG GLN 17 86.719 -15.990 -2.632 40 2HG GLN 17 2HG GLN 17 86.894 -14.544 -3.629 41 1HE2 GLN 17 1HE2 GLN 17 86.427 -18.048 -3.950 42 2HE2 GLN 17 2HE2 GLN 17 85.317 -17.954 -5.271 43 H VAL 18 H VAL 18 87.747 -14.766 -1.288 44 HA VAL 18 HA VAL 18 86.780 -12.206 -1.959 45 HB VAL 18 HB VAL 18 86.735 -13.084 0.894 46 1HG1 VAL 18 1HG1 VAL 18 85.650 -10.996 0.125 47 2HG1 VAL 18 2HG1 VAL 18 84.524 -12.140 0.856 48 3HG1 VAL 18 3HG1 VAL 18 84.588 -11.962 -0.897 49 1HG2 VAL 18 1HG2 VAL 18 86.165 -15.172 0.170 50 2HG2 VAL 18 2HG2 VAL 18 85.567 -14.591 -1.384 51 3HG2 VAL 18 3HG2 VAL 18 84.582 -14.403 0.067 52 H LYS 19 H LYS 19 89.393 -13.324 0.087 53 HA LYS 19 HA LYS 19 89.981 -10.966 1.447 54 1HB LYS 19 1HB LYS 19 91.033 -13.159 1.927 55 2HB LYS 19 2HB LYS 19 91.941 -13.035 0.426 56 1HG LYS 19 1HG LYS 19 93.364 -11.456 1.254 57 2HG LYS 19 2HG LYS 19 92.178 -10.826 2.399 58 1HD LYS 19 1HD LYS 19 92.715 -12.344 3.997 59 2HD LYS 19 2HD LYS 19 93.068 -13.614 2.822 60 1HE LYS 19 1HE LYS 19 95.210 -12.671 2.343 61 2HE LYS 19 2HE LYS 19 94.845 -11.226 3.286 62 1HZ LYS 19 1HZ LYS 19 94.760 -12.613 5.278 63 2HZ LYS 19 2HZ LYS 19 96.270 -12.712 4.522 64 3HZ LYS 19 3HZ LYS 19 95.161 -13.978 4.360 65 H GLU 20 H GLU 20 90.417 -11.852 -1.867 66 HA GLU 20 HA GLU 20 92.350 -9.787 -2.441 67 1HB GLU 20 1HB GLU 20 90.648 -11.485 -4.274 68 2HB GLU 20 2HB GLU 20 91.916 -10.393 -4.810 69 1HG GLU 20 1HG GLU 20 93.597 -11.702 -3.739 70 2HG GLU 20 2HG GLU 20 92.383 -12.704 -2.945 71 H SER 21 H SER 21 88.966 -9.963 -2.065 72 HA SER 21 HA SER 21 88.543 -7.465 -3.542 73 1HB SER 21 1HB SER 21 87.018 -9.854 -3.246 74 2HB SER 21 2HB SER 21 86.111 -8.526 -2.532 75 HG SER 21 HG SER 21 87.070 -8.775 -5.178 76 H LEU 22 H LEU 22 87.625 -9.035 -0.452 77 HA LEU 22 HA LEU 22 86.595 -6.719 0.752 78 1HB LEU 22 1HB LEU 22 86.858 -7.898 2.873 79 2HB LEU 22 2HB LEU 22 86.176 -8.946 1.643 80 HG LEU 22 HG LEU 22 88.813 -9.521 1.379 81 1HD1 LEU 22 1HD1 LEU 22 88.544 -9.466 4.336 82 2HD1 LEU 22 2HD1 LEU 22 89.016 -7.981 3.510 83 3HD1 LEU 22 3HD1 LEU 22 89.991 -9.438 3.329 84 1HD2 LEU 22 1HD2 LEU 22 86.571 -10.878 1.968 85 2HD2 LEU 22 2HD2 LEU 22 87.425 -11.022 3.504 86 3HD2 LEU 22 3HD2 LEU 22 88.182 -11.593 2.018 87 H SER 23 H SER 23 89.794 -7.646 0.043 88 HA SER 23 HA SER 23 90.872 -5.614 1.874 89 1HB SER 23 1HB SER 23 92.551 -7.632 0.406 90 2HB SER 23 2HB SER 23 92.922 -6.757 1.891 91 HG SER 23 HG SER 23 92.244 -8.528 2.806 92 H SER 24 H SER 24 90.116 -6.196 -1.378 93 HA SER 24 HA SER 24 92.204 -4.877 -2.701 94 1HB SER 24 1HB SER 24 90.891 -5.927 -4.248 95 2HB SER 24 2HB SER 24 89.405 -5.613 -3.354 96 HG SER 24 HG SER 24 90.529 -4.212 -5.390 97 H TYR 25 H TYR 25 89.742 -3.644 -0.685 98 HA TYR 25 HA TYR 25 90.119 -0.924 -1.707 99 1HB TYR 25 1HB TYR 25 88.034 -2.218 0.026 100 2HB TYR 25 2HB TYR 25 88.265 -0.474 0.084 101 HD1 TYR 25 HD1 TYR 25 87.857 -3.177 -2.471 102 HD2 TYR 25 HD2 TYR 25 86.942 0.809 -1.300 103 HE1 TYR 25 HE1 TYR 25 86.425 -2.929 -4.454 104 HE2 TYR 25 HE2 TYR 25 85.507 1.068 -3.280 105 HH TYR 25 HH TYR 25 85.623 -0.767 -5.887 106 H TRP 26 H TRP 26 91.213 -3.035 0.664 107 HA TRP 26 HA TRP 26 91.905 -0.925 2.559 108 1HB TRP 26 1HB TRP 26 91.098 -3.061 3.473 109 2HB TRP 26 2HB TRP 26 92.404 -3.912 2.656 110 HD1 TRP 26 HD1 TRP 26 94.803 -3.837 3.767 111 HE1 TRP 26 HE1 TRP 26 95.642 -3.068 6.071 112 HE3 TRP 26 HE3 TRP 26 90.663 -1.271 5.320 113 HZ2 TRP 26 HZ2 TRP 26 94.678 -1.570 8.262 114 HZ3 TRP 26 HZ3 TRP 26 90.704 -0.199 7.535 115 HH2 TRP 26 HH2 TRP 26 92.670 -0.346 8.974 116 H GLU 27 H GLU 27 93.207 -2.802 -0.014 117 HA GLU 27 HA GLU 27 95.965 -2.209 0.645 118 1HB GLU 27 1HB GLU 27 94.566 -3.797 -1.451 119 2HB GLU 27 2HB GLU 27 96.178 -3.200 -1.817 120 1HG GLU 27 1HG GLU 27 95.570 -4.760 0.672 121 2HG GLU 27 2HG GLU 27 96.005 -5.533 -0.852 122 H SER 28 H SER 28 93.389 -0.822 -1.145 123 HA SER 28 HA SER 28 95.042 0.749 -2.896 124 1HB SER 28 1HB SER 28 92.569 -0.035 -3.223 125 2HB SER 28 2HB SER 28 92.181 1.393 -2.271 126 HG SER 28 HG SER 28 93.478 1.247 -4.777 127 H ALA 29 H ALA 29 93.124 1.320 0.008 128 HA ALA 29 HA ALA 29 93.499 4.049 0.296 129 1HB ALA 29 1HB ALA 29 92.984 1.815 2.180 130 2HB ALA 29 2HB ALA 29 92.050 3.279 1.877 131 3HB ALA 29 3HB ALA 29 93.507 3.353 2.867 132 H LYS 30 H LYS 30 95.721 1.432 0.792 133 HA LYS 30 HA LYS 30 97.687 3.126 2.102 134 1HB LYS 30 1HB LYS 30 97.160 0.469 2.323 135 2HB LYS 30 2HB LYS 30 98.481 0.439 1.162 136 1HG LYS 30 1HG LYS 30 99.527 2.113 2.972 137 2HG LYS 30 2HG LYS 30 98.484 1.153 4.023 138 1HD LYS 30 1HD LYS 30 99.596 -0.840 3.497 139 2HD LYS 30 2HD LYS 30 100.341 -0.145 2.056 140 1HE LYS 30 1HE LYS 30 102.028 0.803 3.223 141 2HE LYS 30 2HE LYS 30 100.999 1.178 4.605 142 1HZ LYS 30 1HZ LYS 30 102.760 -0.525 5.014 143 2HZ LYS 30 2HZ LYS 30 101.926 -1.566 3.974 144 3HZ LYS 30 3HZ LYS 30 101.191 -1.026 5.399 145 H THR 31 H THR 31 96.921 1.849 -1.046 146 HA THR 31 HA THR 31 99.465 2.261 -2.240 147 HB THR 31 HB THR 31 96.727 2.155 -3.523 148 HG1 THR 31 HG1 THR 31 97.127 -0.007 -3.762 149 1HG2 THR 31 1HG2 THR 31 97.930 1.392 -5.528 150 2HG2 THR 31 2HG2 THR 31 99.456 1.775 -4.728 151 3HG2 THR 31 3HG2 THR 31 98.304 3.060 -5.093 152 H ALA 32 H ALA 32 96.703 4.309 -1.618 153 HA ALA 32 HA ALA 32 97.914 6.475 -3.184 154 1HB ALA 32 1HB ALA 32 95.810 7.575 -3.119 155 2HB ALA 32 2HB ALA 32 95.207 6.490 -1.868 156 3HB ALA 32 3HB ALA 32 95.492 5.882 -3.498 157 H ALA 33 H ALA 33 98.458 5.362 -0.273 158 HA ALA 33 HA ALA 33 98.379 7.978 1.072 159 1HB ALA 33 1HB ALA 33 98.470 6.835 3.160 160 2HB ALA 33 2HB ALA 33 98.836 5.298 2.375 161 3HB ALA 33 3HB ALA 33 97.242 6.028 2.184 162 H GLN 34 H GLN 34 100.429 5.284 0.152 163 HA GLN 34 HA GLN 34 102.793 6.350 1.367 164 1HB GLN 34 1HB GLN 34 102.109 3.881 0.488 165 2HB GLN 34 2HB GLN 34 103.078 4.438 -0.870 166 1HG GLN 34 1HG GLN 34 104.534 3.279 0.577 167 2HG GLN 34 2HG GLN 34 104.886 4.995 0.777 168 1HE2 GLN 34 1HE2 GLN 34 104.268 6.034 2.685 169 2HE2 GLN 34 2HE2 GLN 34 103.894 5.151 4.122 170 H ASN 35 H ASN 35 101.089 6.898 -1.552 171 HA ASN 35 HA ASN 35 103.311 7.822 -3.108 172 1HB ASN 35 1HB ASN 35 100.894 6.975 -3.804 173 2HB ASN 35 2HB ASN 35 100.514 8.685 -3.674 174 1HD2 ASN 35 1HD2 ASN 35 101.242 6.422 -5.820 175 2HD2 ASN 35 2HD2 ASN 35 102.091 7.352 -7.003 176 H LEU 36 H LEU 36 100.534 9.443 -1.592 177 HA LEU 36 HA LEU 36 101.482 12.067 -2.027 178 1HB LEU 36 1HB LEU 36 99.701 11.389 0.281 179 2HB LEU 36 2HB LEU 36 99.678 12.804 -0.753 180 HG LEU 36 HG LEU 36 98.726 10.033 -1.470 181 1HD1 LEU 36 1HD1 LEU 36 96.610 11.539 -1.872 182 2HD1 LEU 36 2HD1 LEU 36 97.404 12.579 -0.690 183 3HD1 LEU 36 3HD1 LEU 36 96.996 10.917 -0.268 184 1HD2 LEU 36 1HD2 LEU 36 98.156 12.238 -3.310 185 2HD2 LEU 36 2HD2 LEU 36 98.652 10.578 -3.643 186 3HD2 LEU 36 3HD2 LEU 36 99.860 11.792 -3.223 187 H TYR 37 H TYR 37 101.696 9.900 0.768 188 HA TYR 37 HA TYR 37 102.976 11.729 2.489 189 1HB TYR 37 1HB TYR 37 102.774 8.733 2.437 190 2HB TYR 37 2HB TYR 37 103.772 9.547 3.636 191 HD1 TYR 37 HD1 TYR 37 100.361 10.150 2.214 192 HD2 TYR 37 HD2 TYR 37 102.750 9.632 5.695 193 HE1 TYR 37 HE1 TYR 37 98.375 10.499 3.620 194 HE2 TYR 37 HE2 TYR 37 100.771 9.980 7.112 195 HH TYR 37 HH TYR 37 98.378 11.332 6.632 196 H GLU 38 H GLU 38 104.128 10.075 -0.241 197 HA GLU 38 HA GLU 38 106.899 10.041 0.599 198 1HB GLU 38 1HB GLU 38 106.063 8.254 -0.847 199 2HB GLU 38 2HB GLU 38 105.632 9.433 -2.080 200 1HG GLU 38 1HG GLU 38 107.617 8.975 -2.968 201 2HG GLU 38 2HG GLU 38 108.283 9.961 -1.669 202 H LYS 39 H LYS 39 104.746 12.075 -1.230 203 HA LYS 39 HA LYS 39 107.008 13.847 -1.883 204 1HB LYS 39 1HB LYS 39 105.277 12.774 -3.659 205 2HB LYS 39 2HB LYS 39 104.420 14.255 -3.258 206 1HG LYS 39 1HG LYS 39 105.657 15.106 -4.926 207 2HG LYS 39 2HG LYS 39 106.890 15.240 -3.670 208 1HD LYS 39 1HD LYS 39 107.275 12.687 -4.502 209 2HD LYS 39 2HD LYS 39 106.746 13.452 -6.002 210 1HE LYS 39 1HE LYS 39 108.620 14.696 -6.182 211 2HE LYS 39 2HE LYS 39 108.737 14.958 -4.442 212 1HZ LYS 39 1HZ LYS 39 109.815 12.777 -6.071 213 2HZ LYS 39 2HZ LYS 39 109.345 12.422 -4.485 214 3HZ LYS 39 3HZ LYS 39 110.519 13.606 -4.774 215 H THR 40 H THR 40 105.546 13.722 0.652 216 HA THR 40 HA THR 40 104.974 16.536 0.888 217 HB THR 40 HB THR 40 102.798 14.740 1.878 218 HG1 THR 40 HG1 THR 40 101.771 14.816 -0.055 219 1HG2 THR 40 1HG2 THR 40 102.855 17.139 2.512 220 2HG2 THR 40 2HG2 THR 40 101.400 16.653 1.642 221 3HG2 THR 40 3HG2 THR 40 102.673 17.545 0.806 222 H TYR 41 H TYR 41 104.857 13.376 2.454 223 HA TYR 41 HA TYR 41 105.952 14.625 4.887 224 1HB TYR 41 1HB TYR 41 103.548 13.644 4.952 225 2HB TYR 41 2HB TYR 41 104.358 12.081 4.941 226 HD1 TYR 41 HD1 TYR 41 104.686 11.100 6.997 227 HD2 TYR 41 HD2 TYR 41 104.661 15.347 6.746 228 HE1 TYR 41 HE1 TYR 41 104.996 11.240 9.432 229 HE2 TYR 41 HE2 TYR 41 104.972 15.498 9.181 230 HH TYR 41 HH TYR 41 105.790 12.780 11.102 231 H LEU 42 H LEU 42 107.420 13.555 2.643 232 HA LEU 42 HA LEU 42 108.364 10.970 2.992 233 1HB LEU 42 1HB LEU 42 110.556 12.007 2.008 234 2HB LEU 42 2HB LEU 42 109.109 11.871 1.028 235 HG LEU 42 HG LEU 42 109.385 14.414 2.493 236 1HD1 LEU 42 1HD1 LEU 42 111.090 14.056 0.062 237 2HD1 LEU 42 2HD1 LEU 42 111.733 13.707 1.667 238 3HD1 LEU 42 3HD1 LEU 42 111.139 15.324 1.287 239 1HD2 LEU 42 1HD2 LEU 42 107.678 13.634 0.680 240 2HD2 LEU 42 2HD2 LEU 42 108.961 14.086 -0.443 241 3HD2 LEU 42 3HD2 LEU 42 108.293 15.286 0.664 242 HA PRO 43 HA PRO 43 110.735 11.303 6.719 243 1HB PRO 43 1HB PRO 43 111.867 8.889 6.730 244 2HB PRO 43 2HB PRO 43 110.117 9.075 6.905 245 1HG PRO 43 1HG PRO 43 111.709 8.288 4.502 246 2HG PRO 43 2HG PRO 43 110.158 7.652 5.077 247 1HD PRO 43 1HD PRO 43 110.465 9.541 3.065 248 2HD PRO 43 2HD PRO 43 108.976 9.265 3.988 249 H ALA 44 H ALA 44 111.989 12.010 3.906 250 HA ALA 44 HA ALA 44 114.785 11.735 4.772 251 1HB ALA 44 1HB ALA 44 114.029 12.249 1.926 252 2HB ALA 44 2HB ALA 44 113.972 10.613 2.581 253 3HB ALA 44 3HB ALA 44 115.491 11.509 2.579 254 H VAL 45 H VAL 45 112.349 13.905 4.655 255 HA VAL 45 HA VAL 45 113.541 16.192 3.512 256 HB VAL 45 HB VAL 45 111.720 16.396 5.879 257 1HG1 VAL 45 1HG1 VAL 45 110.807 18.279 4.460 258 2HG1 VAL 45 2HG1 VAL 45 112.191 18.018 3.398 259 3HG1 VAL 45 3HG1 VAL 45 112.445 18.487 5.079 260 1HG2 VAL 45 1HG2 VAL 45 110.108 15.217 4.904 261 2HG2 VAL 45 2HG2 VAL 45 111.132 14.918 3.501 262 3HG2 VAL 45 3HG2 VAL 45 110.120 16.359 3.561 263 H ASP 46 H ASP 46 113.858 14.624 6.605 264 HA ASP 46 HA ASP 46 115.154 16.765 7.962 265 1HB ASP 46 1HB ASP 46 114.067 14.441 8.793 266 2HB ASP 46 2HB ASP 46 115.765 13.974 8.766 267 H GLU 47 H GLU 47 116.169 14.349 5.710 268 HA GLU 47 HA GLU 47 118.976 15.165 6.105 269 1HB GLU 47 1HB GLU 47 117.980 12.611 6.279 270 2HB GLU 47 2HB GLU 47 118.518 12.680 4.606 271 1HG GLU 47 1HG GLU 47 120.745 13.258 5.288 272 2HG GLU 47 2HG GLU 47 120.237 13.391 6.971 273 H LYS 48 H LYS 48 116.875 16.434 4.515 274 HA LYS 48 HA LYS 48 118.344 16.750 2.067 275 1HB LYS 48 1HB LYS 48 116.585 14.719 1.951 276 2HB LYS 48 2HB LYS 48 115.504 16.051 1.566 277 1HG LYS 48 1HG LYS 48 116.674 16.594 -0.379 278 2HG LYS 48 2HG LYS 48 118.098 15.677 0.116 279 1HD LYS 48 1HD LYS 48 116.382 13.668 0.073 280 2HD LYS 48 2HD LYS 48 115.532 14.727 -1.055 281 1HE LYS 48 1HE LYS 48 117.083 14.467 -2.670 282 2HE LYS 48 2HE LYS 48 118.422 14.454 -1.523 283 1HZ LYS 48 1HZ LYS 48 117.387 12.136 -0.923 284 2HZ LYS 48 2HZ LYS 48 118.460 12.303 -2.219 285 3HZ LYS 48 3HZ LYS 48 116.795 12.229 -2.506 286 H LEU 49 H LEU 49 115.077 17.251 3.411 287 HA LEU 49 HA LEU 49 113.838 19.133 3.714 288 1HB LEU 49 1HB LEU 49 116.324 20.771 3.333 289 2HB LEU 49 2HB LEU 49 114.908 21.149 4.295 290 HG LEU 49 HG LEU 49 116.542 18.768 5.048 291 1HD1 LEU 49 1HD1 LEU 49 117.327 21.637 5.465 292 2HD1 LEU 49 2HD1 LEU 49 118.295 20.317 4.808 293 3HD1 LEU 49 3HD1 LEU 49 117.880 20.338 6.522 294 1HD2 LEU 49 1HD2 LEU 49 114.300 19.823 6.076 295 2HD2 LEU 49 2HD2 LEU 49 115.501 20.726 6.999 296 3HD2 LEU 49 3HD2 LEU 49 115.497 18.963 7.043 297 H ARG 50 H ARG 50 115.427 18.469 0.871 298 HA ARG 50 HA ARG 50 113.634 19.404 -0.897 299 1HB ARG 50 1HB ARG 50 114.789 21.522 -1.774 300 2HB ARG 50 2HB ARG 50 113.808 21.677 -0.325 301 1HG ARG 50 1HG ARG 50 116.278 21.130 0.712 302 2HG ARG 50 2HG ARG 50 116.670 22.093 -0.713 303 1HD ARG 50 1HD ARG 50 115.389 23.920 0.042 304 2HD ARG 50 2HD ARG 50 114.572 22.944 1.261 305 HE ARG 50 HE ARG 50 117.304 22.926 1.830 306 1HH1 ARG 50 1HH1 ARG 50 114.644 25.185 1.759 307 2HH1 ARG 50 2HH1 ARG 50 115.310 26.200 2.994 308 1HH2 ARG 50 1HH2 ARG 50 118.181 24.261 3.454 309 2HH2 ARG 50 2HH2 ARG 50 117.318 25.677 3.956 310 H ASP 51 H ASP 51 117.026 18.994 -0.167 311 HA ASP 51 HA ASP 51 117.641 17.165 -2.086 312 1HB ASP 51 1HB ASP 51 117.417 19.837 -3.240 313 2HB ASP 51 2HB ASP 51 118.987 19.100 -3.540 314 H LEU 52 H LEU 52 118.375 18.120 0.544 315 HA LEU 52 HA LEU 52 121.110 19.009 0.373 316 1HB LEU 52 1HB LEU 52 119.457 19.603 2.218 317 2HB LEU 52 2HB LEU 52 119.710 17.978 2.829 318 HG LEU 52 HG LEU 52 122.190 19.487 2.372 319 1HD1 LEU 52 1HD1 LEU 52 120.768 20.305 4.831 320 2HD1 LEU 52 2HD1 LEU 52 120.266 21.072 3.324 321 3HD1 LEU 52 3HD1 LEU 52 121.946 21.181 3.852 322 1HD2 LEU 52 1HD2 LEU 52 121.534 18.417 5.022 323 2HD2 LEU 52 2HD2 LEU 52 122.949 18.148 4.004 324 3HD2 LEU 52 3HD2 LEU 52 121.469 17.234 3.716 325 H TYR 53 H TYR 53 119.885 16.209 -0.437 326 HA TYR 53 HA TYR 53 121.907 14.555 0.900 327 1HB TYR 53 1HB TYR 53 119.225 14.074 0.479 328 2HB TYR 53 2HB TYR 53 119.987 13.171 -0.826 329 HD1 TYR 53 HD1 TYR 53 119.715 10.944 -0.165 330 HD2 TYR 53 HD2 TYR 53 121.262 13.763 2.620 331 HE1 TYR 53 HE1 TYR 53 120.218 9.115 1.398 332 HE2 TYR 53 HE2 TYR 53 121.771 11.941 4.191 333 HH TYR 53 HH TYR 53 121.600 8.623 3.278 334 H SER 54 H SER 54 120.362 14.625 -2.301 335 HA SER 54 HA SER 54 121.183 14.300 -4.396 336 1HB SER 54 1HB SER 54 123.629 15.619 -3.197 337 2HB SER 54 2HB SER 54 123.331 15.409 -4.922 338 HG SER 54 HG SER 54 121.723 16.868 -4.841 339 H LYS 55 H LYS 55 121.215 12.019 -3.015 340 HA LYS 55 HA LYS 55 122.101 9.921 -2.963 341 1HB LYS 55 1HB LYS 55 123.633 11.146 -5.241 342 2HB LYS 55 2HB LYS 55 123.969 9.504 -4.708 343 1HG LYS 55 1HG LYS 55 121.131 10.055 -5.144 344 2HG LYS 55 2HG LYS 55 122.130 10.208 -6.591 345 1HD LYS 55 1HD LYS 55 121.818 7.984 -6.751 346 2HD LYS 55 2HD LYS 55 123.097 7.903 -5.538 347 1HE LYS 55 1HE LYS 55 121.685 7.259 -3.904 348 2HE LYS 55 2HE LYS 55 120.385 8.305 -4.475 349 1HZ LYS 55 1HZ LYS 55 121.155 5.675 -5.620 350 2HZ LYS 55 2HZ LYS 55 119.961 6.691 -6.254 351 3HZ LYS 55 3HZ LYS 55 119.762 6.009 -4.720 352 H SER 56 H SER 56 123.386 12.312 -1.487 353 HA SER 56 HA SER 56 126.116 11.939 -1.175 354 1HB SER 56 1HB SER 56 123.942 13.050 0.525 355 2HB SER 56 2HB SER 56 125.463 12.662 1.327 356 HG SER 56 HG SER 56 126.496 13.967 -0.303 357 H THR 57 H THR 57 123.444 10.382 0.547 358 HA THR 57 HA THR 57 125.159 8.092 1.084 359 HB THR 57 HB THR 57 123.494 9.243 3.307 360 HG1 THR 57 HG1 THR 57 124.917 10.811 3.240 361 1HG2 THR 57 1HG2 THR 57 125.719 7.240 3.184 362 2HG2 THR 57 2HG2 THR 57 124.083 7.034 3.810 363 3HG2 THR 57 3HG2 THR 57 125.242 8.037 4.684 364 H ALA 58 H ALA 58 122.736 8.870 -0.543 365 HA ALA 58 HA ALA 58 120.559 7.347 0.543 366 1HB ALA 58 1HB ALA 58 120.598 7.904 -2.354 367 2HB ALA 58 2HB ALA 58 120.677 9.314 -1.298 368 3HB ALA 58 3HB ALA 58 119.329 8.184 -1.161 369 H ALA 59 H ALA 59 122.992 6.887 -1.979 370 HA ALA 59 HA ALA 59 122.107 4.282 -2.724 371 1HB ALA 59 1HB ALA 59 124.931 5.038 -3.181 372 2HB ALA 59 2HB ALA 59 123.700 6.063 -3.919 373 3HB ALA 59 3HB ALA 59 123.749 4.339 -4.287 374 H MET 60 H MET 60 124.163 5.542 -0.225 375 HA MET 60 HA MET 60 125.397 2.982 0.340 376 1HB MET 60 1HB MET 60 125.476 5.528 1.966 377 2HB MET 60 2HB MET 60 126.538 4.139 2.139 378 1HG MET 60 1HG MET 60 126.387 5.663 -0.432 379 2HG MET 60 2HG MET 60 127.407 6.206 0.900 380 1HE MET 60 1HE MET 60 129.566 4.470 -2.029 381 2HE MET 60 2HE MET 60 128.575 5.894 -1.712 382 3HE MET 60 3HE MET 60 127.846 4.451 -2.415 383 H SER 61 H SER 61 122.563 4.688 1.243 384 HA SER 61 HA SER 61 121.989 2.639 3.267 385 1HB SER 61 1HB SER 61 120.988 5.447 3.632 386 2HB SER 61 2HB SER 61 121.202 4.177 4.837 387 HG SER 61 HG SER 61 123.535 4.434 4.327 388 H THR 62 H THR 62 121.180 2.279 0.746 389 HA THR 62 HA THR 62 118.440 3.263 0.526 390 HB THR 62 HB THR 62 119.194 1.522 -1.622 391 HG1 THR 62 HG1 THR 62 121.070 2.313 -2.249 392 1HG2 THR 62 1HG2 THR 62 119.230 4.066 -2.643 393 2HG2 THR 62 2HG2 THR 62 118.139 4.201 -1.264 394 3HG2 THR 62 3HG2 THR 62 117.820 3.012 -2.527 395 H TYR 63 H TYR 63 120.178 0.532 1.538 396 HA TYR 63 HA TYR 63 118.685 -1.645 0.861 397 1HB TYR 63 1HB TYR 63 120.300 -0.900 3.219 398 2HB TYR 63 2HB TYR 63 119.172 -2.224 3.449 399 HD1 TYR 63 HD1 TYR 63 120.233 -4.267 3.338 400 HD2 TYR 63 HD2 TYR 63 121.428 -1.192 0.652 401 HE1 TYR 63 HE1 TYR 63 121.826 -5.815 2.283 402 HE2 TYR 63 HE2 TYR 63 123.024 -2.731 -0.410 403 HH TYR 63 HH TYR 63 122.956 -6.029 0.010 404 H THR 64 H THR 64 117.802 0.977 2.951 405 HA THR 64 HA THR 64 115.789 -0.069 4.499 406 HB THR 64 HB THR 64 115.384 2.550 3.086 407 HG1 THR 64 HG1 THR 64 117.360 1.921 5.005 408 1HG2 THR 64 1HG2 THR 64 113.888 2.857 4.676 409 2HG2 THR 64 2HG2 THR 64 115.182 2.789 5.872 410 3HG2 THR 64 3HG2 THR 64 114.314 1.320 5.426 411 H GLY 65 H GLY 65 115.842 0.445 1.057 412 1HA GLY 65 1HA GLY 65 112.971 -0.035 0.814 413 2HA GLY 65 2HA GLY 65 114.073 0.370 -0.493 414 H ILE 66 H ILE 66 115.933 -1.802 0.657 415 HA ILE 66 HA ILE 66 114.665 -3.992 -0.814 416 HB ILE 66 HB ILE 66 117.497 -3.990 0.167 417 1HG1 ILE 66 1HG1 ILE 66 116.524 -2.844 -2.460 418 2HG1 ILE 66 2HG1 ILE 66 117.110 -1.891 -1.100 419 1HG2 ILE 66 1HG2 ILE 66 116.331 -5.237 -2.305 420 2HG2 ILE 66 2HG2 ILE 66 116.367 -6.057 -0.744 421 3HG2 ILE 66 3HG2 ILE 66 117.875 -5.590 -1.530 422 1HD1 ILE 66 1HD1 ILE 66 119.182 -3.593 -1.477 423 2HD1 ILE 66 2HD1 ILE 66 119.060 -1.982 -2.184 424 3HD1 ILE 66 3HD1 ILE 66 118.588 -3.395 -3.125 425 H PHE 67 H PHE 67 115.381 -3.014 2.382 426 HA PHE 67 HA PHE 67 116.016 -5.216 3.816 427 1HB PHE 67 1HB PHE 67 114.572 -2.775 4.336 428 2HB PHE 67 2HB PHE 67 113.867 -4.099 5.256 429 HD1 PHE 67 HD1 PHE 67 116.219 -5.736 5.862 430 HD2 PHE 67 HD2 PHE 67 115.737 -1.508 5.879 431 HE1 PHE 67 HE1 PHE 67 118.023 -5.541 7.525 432 HE2 PHE 67 HE2 PHE 67 117.540 -1.304 7.541 433 HZ PHE 67 HZ PHE 67 118.685 -3.323 8.365 434 H THR 68 H THR 68 112.982 -4.629 2.187 435 HA THR 68 HA THR 68 111.876 -7.122 3.260 436 HB THR 68 HB THR 68 110.537 -4.957 1.624 437 HG1 THR 68 HG1 THR 68 110.163 -4.020 3.448 438 1HG2 THR 68 1HG2 THR 68 109.050 -6.955 3.248 439 2HG2 THR 68 2HG2 THR 68 109.597 -7.388 1.628 440 3HG2 THR 68 3HG2 THR 68 108.522 -6.009 1.857 441 H ASP 69 H ASP 69 113.091 -5.643 0.359 442 HA ASP 69 HA ASP 69 112.043 -7.561 -1.471 443 1HB ASP 69 1HB ASP 69 113.201 -5.139 -1.785 444 2HB ASP 69 2HB ASP 69 114.576 -6.177 -2.148 445 H GLN 70 H GLN 70 115.014 -7.264 0.388 446 HA GLN 70 HA GLN 70 116.400 -9.407 -0.837 447 1HB GLN 70 1HB GLN 70 116.704 -7.794 1.639 448 2HB GLN 70 2HB GLN 70 117.514 -9.354 1.605 449 1HG GLN 70 1HG GLN 70 117.855 -7.499 -0.697 450 2HG GLN 70 2HG GLN 70 118.731 -7.187 0.800 451 1HE2 GLN 70 1HE2 GLN 70 119.350 -8.239 -2.048 452 2HE2 GLN 70 2HE2 GLN 70 120.403 -9.574 -1.742 453 H VAL 71 H VAL 71 114.002 -9.222 1.690 454 HA VAL 71 HA VAL 71 114.397 -11.966 2.526 455 HB VAL 71 HB VAL 71 112.278 -9.953 3.283 456 1HG1 VAL 71 1HG1 VAL 71 112.911 -12.641 4.503 457 2HG1 VAL 71 2HG1 VAL 71 111.467 -12.233 3.578 458 3HG1 VAL 71 3HG1 VAL 71 111.757 -11.469 5.140 459 1HG2 VAL 71 1HG2 VAL 71 113.595 -9.250 4.976 460 2HG2 VAL 71 2HG2 VAL 71 114.889 -9.823 3.922 461 3HG2 VAL 71 3HG2 VAL 71 114.301 -10.847 5.233 462 H LEU 72 H LEU 72 112.027 -10.074 0.707 463 HA LEU 72 HA LEU 72 110.124 -12.090 0.313 464 1HB LEU 72 1HB LEU 72 110.139 -9.508 -0.253 465 2HB LEU 72 2HB LEU 72 110.648 -10.082 -1.830 466 HG LEU 72 HG LEU 72 108.151 -11.081 -0.471 467 1HD1 LEU 72 1HD1 LEU 72 107.932 -9.145 -2.684 468 2HD1 LEU 72 2HD1 LEU 72 108.445 -8.493 -1.128 469 3HD1 LEU 72 3HD1 LEU 72 106.918 -9.365 -1.258 470 1HD2 LEU 72 1HD2 LEU 72 109.453 -11.444 -3.109 471 2HD2 LEU 72 2HD2 LEU 72 107.694 -11.338 -3.078 472 3HD2 LEU 72 3HD2 LEU 72 108.518 -12.581 -2.138 473 H SER 73 H SER 73 113.181 -11.473 -1.224 474 HA SER 73 HA SER 73 112.701 -13.172 -3.489 475 1HB SER 73 1HB SER 73 115.189 -11.881 -2.368 476 2HB SER 73 2HB SER 73 115.220 -12.933 -3.783 477 HG SER 73 HG SER 73 113.541 -11.442 -4.624 478 H VAL 74 H VAL 74 113.727 -13.620 -0.236 479 HA VAL 74 HA VAL 74 115.292 -15.922 -0.450 480 HB VAL 74 HB VAL 74 113.403 -15.136 1.775 481 1HG1 VAL 74 1HG1 VAL 74 115.649 -17.149 1.716 482 2HG1 VAL 74 2HG1 VAL 74 113.936 -17.472 1.984 483 3HG1 VAL 74 3HG1 VAL 74 114.863 -16.574 3.186 484 1HG2 VAL 74 1HG2 VAL 74 115.444 -14.262 2.848 485 2HG2 VAL 74 2HG2 VAL 74 115.061 -13.430 1.342 486 3HG2 VAL 74 3HG2 VAL 74 116.350 -14.633 1.381 487 H LEU 75 H LEU 75 111.834 -15.462 -0.612 488 HA LEU 75 HA LEU 75 110.930 -18.051 -0.149 489 1HB LEU 75 1HB LEU 75 109.551 -15.958 -0.510 490 2HB LEU 75 2HB LEU 75 109.801 -16.184 -2.230 491 HG LEU 75 HG LEU 75 108.655 -18.447 -0.663 492 1HD1 LEU 75 1HD1 LEU 75 107.524 -16.050 -0.266 493 2HD1 LEU 75 2HD1 LEU 75 106.605 -17.552 -0.357 494 3HD1 LEU 75 3HD1 LEU 75 106.728 -16.507 -1.772 495 1HD2 LEU 75 1HD2 LEU 75 107.277 -18.316 -2.949 496 2HD2 LEU 75 2HD2 LEU 75 108.835 -19.133 -2.814 497 3HD2 LEU 75 3HD2 LEU 75 108.751 -17.494 -3.461 498 H LYS 76 H LYS 76 112.689 -16.740 -2.812 499 HA LYS 76 HA LYS 76 113.176 -19.310 -3.913 500 1HB LYS 76 1HB LYS 76 110.805 -18.415 -4.775 501 2HB LYS 76 2HB LYS 76 111.834 -17.581 -5.931 502 1HG LYS 76 1HG LYS 76 112.022 -20.539 -5.448 503 2HG LYS 76 2HG LYS 76 110.922 -19.832 -6.634 504 1HD LYS 76 1HD LYS 76 113.177 -18.587 -7.351 505 2HD LYS 76 2HD LYS 76 113.875 -20.058 -6.671 506 1HE LYS 76 1HE LYS 76 113.524 -20.385 -9.025 507 2HE LYS 76 2HE LYS 76 112.378 -21.386 -8.134 508 1HZ LYS 76 1HZ LYS 76 111.594 -19.950 -10.140 509 2HZ LYS 76 2HZ LYS 76 111.551 -18.704 -8.996 510 3HZ LYS 76 3HZ LYS 76 110.615 -20.095 -8.766 511 H GLY 77 H GLY 77 115.247 -19.129 -4.312 512 1HA GLY 77 1HA GLY 77 116.926 -18.325 -5.885 513 2HA GLY 77 2HA GLY 77 116.202 -16.729 -5.739 514 H GLU 78 H GLU 78 116.025 -17.780 -2.713 515 HA GLU 78 HA GLU 78 117.097 -17.099 -0.816 516 1HB GLU 78 1HB GLU 78 118.163 -19.253 -1.387 517 2HB GLU 78 2HB GLU 78 119.420 -18.381 -2.253 518 1HG GLU 78 1HG GLU 78 120.498 -17.799 -0.372 519 2HG GLU 78 2HG GLU 78 119.005 -17.530 0.526 520 H GLU 79 H GLU 79 117.051 -15.117 -2.941 521 HA GLU 79 HA GLU 79 119.612 -13.786 -2.888 522 1HB GLU 79 1HB GLU 79 117.677 -13.773 -4.718 523 2HB GLU 79 2HB GLU 79 117.147 -12.378 -3.789 524 1HG GLU 79 1HG GLU 79 118.530 -11.193 -5.055 525 2HG GLU 79 2HG GLU 79 119.833 -11.914 -4.111 Start of MODEL 11 1 H THR 13 H THR 13 101.127 -17.108 11.494 2 HA THR 13 HA THR 13 101.777 -18.869 9.244 3 HB THR 13 HB THR 13 100.835 -19.559 12.033 4 HG1 THR 13 HG1 THR 13 103.151 -20.172 10.539 5 1HG2 THR 13 1HG2 THR 13 100.163 -20.880 9.636 6 2HG2 THR 13 2HG2 THR 13 99.879 -21.405 11.295 7 3HG2 THR 13 3HG2 THR 13 101.364 -21.868 10.466 8 H PHE 14 H PHE 14 99.109 -18.970 11.537 9 HA PHE 14 HA PHE 14 97.207 -18.741 9.394 10 1HB PHE 14 1HB PHE 14 96.938 -19.077 12.381 11 2HB PHE 14 2HB PHE 14 95.541 -18.873 11.329 12 HD1 PHE 14 HD1 PHE 14 95.261 -20.543 9.411 13 HD2 PHE 14 HD2 PHE 14 97.863 -21.179 12.718 14 HE1 PHE 14 HE1 PHE 14 95.258 -22.959 8.944 15 HE2 PHE 14 HE2 PHE 14 97.864 -23.596 12.258 16 HZ PHE 14 HZ PHE 14 96.561 -24.488 10.369 17 H LEU 15 H LEU 15 98.653 -16.645 11.724 18 HA LEU 15 HA LEU 15 96.627 -14.585 11.427 19 1HB LEU 15 1HB LEU 15 98.234 -13.266 12.876 20 2HB LEU 15 2HB LEU 15 97.519 -14.693 13.598 21 HG LEU 15 HG LEU 15 100.128 -15.126 12.295 22 1HD1 LEU 15 1HD1 LEU 15 101.002 -13.247 13.201 23 2HD1 LEU 15 2HD1 LEU 15 101.064 -14.257 14.645 24 3HD1 LEU 15 3HD1 LEU 15 99.738 -13.115 14.425 25 1HD2 LEU 15 1HD2 LEU 15 100.282 -16.112 14.808 26 2HD2 LEU 15 2HD2 LEU 15 99.609 -16.994 13.437 27 3HD2 LEU 15 3HD2 LEU 15 98.538 -16.143 14.550 28 H THR 16 H THR 16 99.726 -15.437 10.111 29 HA THR 16 HA THR 16 100.336 -12.856 9.039 30 HB THR 16 HB THR 16 101.419 -15.484 8.035 31 HG1 THR 16 HG1 THR 16 102.391 -14.009 10.248 32 1HG2 THR 16 1HG2 THR 16 102.587 -12.720 8.205 33 2HG2 THR 16 2HG2 THR 16 102.190 -13.631 6.747 34 3HG2 THR 16 3HG2 THR 16 103.505 -14.168 7.793 35 H GLN 17 H GLN 17 98.571 -15.663 7.928 36 HA GLN 17 HA GLN 17 98.503 -15.014 5.188 37 1HB GLN 17 1HB GLN 17 97.245 -16.874 4.991 38 2HB GLN 17 2HB GLN 17 97.622 -17.122 6.688 39 1HG GLN 17 1HG GLN 17 95.534 -16.328 7.384 40 2HG GLN 17 2HG GLN 17 95.202 -15.579 5.821 41 1HE2 GLN 17 1HE2 GLN 17 95.232 -18.525 7.647 42 2HE2 GLN 17 2HE2 GLN 17 94.368 -19.489 6.502 43 H VAL 18 H VAL 18 96.157 -14.361 7.796 44 HA VAL 18 HA VAL 18 94.380 -12.852 6.213 45 HB VAL 18 HB VAL 18 94.719 -12.155 9.094 46 1HG1 VAL 18 1HG1 VAL 18 92.940 -11.324 7.355 47 2HG1 VAL 18 2HG1 VAL 18 92.486 -11.655 9.026 48 3HG1 VAL 18 3HG1 VAL 18 92.144 -12.844 7.768 49 1HG2 VAL 18 1HG2 VAL 18 93.903 -14.836 8.048 50 2HG2 VAL 18 2HG2 VAL 18 93.165 -14.201 9.519 51 3HG2 VAL 18 3HG2 VAL 18 94.911 -14.438 9.439 52 H LYS 19 H LYS 19 97.283 -12.041 7.999 53 HA LYS 19 HA LYS 19 97.104 -9.263 7.966 54 1HB LYS 19 1HB LYS 19 99.337 -11.229 8.096 55 2HB LYS 19 2HB LYS 19 99.752 -9.566 7.702 56 1HG LYS 19 1HG LYS 19 98.815 -8.775 9.756 57 2HG LYS 19 2HG LYS 19 98.164 -10.373 10.127 58 1HD LYS 19 1HD LYS 19 100.787 -10.958 9.782 59 2HD LYS 19 2HD LYS 19 100.896 -9.321 10.432 60 1HE LYS 19 1HE LYS 19 99.137 -10.270 12.158 61 2HE LYS 19 2HE LYS 19 99.862 -11.809 11.696 62 1HZ LYS 19 1HZ LYS 19 101.473 -9.487 12.584 63 2HZ LYS 19 2HZ LYS 19 101.965 -11.098 12.437 64 3HZ LYS 19 3HZ LYS 19 100.884 -10.654 13.660 65 H GLU 20 H GLU 20 97.709 -11.537 5.433 66 HA GLU 20 HA GLU 20 98.801 -9.593 3.596 67 1HB GLU 20 1HB GLU 20 98.354 -12.465 3.636 68 2HB GLU 20 2HB GLU 20 97.866 -11.757 2.102 69 1HG GLU 20 1HG GLU 20 99.974 -11.332 1.483 70 2HG GLU 20 2HG GLU 20 100.458 -10.830 3.102 71 H SER 21 H SER 21 95.694 -10.624 4.619 72 HA SER 21 HA SER 21 94.367 -9.478 2.283 73 1HB SER 21 1HB SER 21 93.778 -11.606 4.093 74 2HB SER 21 2HB SER 21 92.500 -10.403 4.203 75 HG SER 21 HG SER 21 93.245 -12.020 2.065 76 H LEU 22 H LEU 22 94.201 -9.272 5.862 77 HA LEU 22 HA LEU 22 92.495 -7.052 5.953 78 1HB LEU 22 1HB LEU 22 93.168 -6.784 8.238 79 2HB LEU 22 2HB LEU 22 93.052 -8.499 7.890 80 HG LEU 22 HG LEU 22 95.667 -8.143 7.405 81 1HD1 LEU 22 1HD1 LEU 22 94.867 -6.001 9.351 82 2HD1 LEU 22 2HD1 LEU 22 95.871 -5.861 7.908 83 3HD1 LEU 22 3HD1 LEU 22 96.487 -6.698 9.333 84 1HD2 LEU 22 1HD2 LEU 22 94.788 -9.826 8.877 85 2HD2 LEU 22 2HD2 LEU 22 94.346 -8.609 10.075 86 3HD2 LEU 22 3HD2 LEU 22 96.046 -8.932 9.731 87 H SER 23 H SER 23 95.784 -7.324 5.094 88 HA SER 23 HA SER 23 96.237 -4.444 5.390 89 1HB SER 23 1HB SER 23 97.936 -6.180 6.209 90 2HB SER 23 2HB SER 23 98.279 -6.480 4.505 91 HG SER 23 HG SER 23 99.536 -4.813 4.620 92 H SER 24 H SER 24 95.474 -6.847 3.061 93 HA SER 24 HA SER 24 96.595 -5.566 0.783 94 1HB SER 24 1HB SER 24 96.140 -7.822 0.411 95 2HB SER 24 2HB SER 24 94.563 -7.735 1.195 96 HG SER 24 HG SER 24 94.666 -7.846 -1.214 97 H TYR 25 H TYR 25 93.985 -4.778 2.749 98 HA TYR 25 HA TYR 25 92.652 -3.271 0.614 99 1HB TYR 25 1HB TYR 25 91.660 -4.739 2.836 100 2HB TYR 25 2HB TYR 25 91.296 -3.042 3.134 101 HD1 TYR 25 HD1 TYR 25 89.958 -1.765 1.441 102 HD2 TYR 25 HD2 TYR 25 90.460 -5.984 1.219 103 HE1 TYR 25 HE1 TYR 25 88.032 -1.908 -0.081 104 HE2 TYR 25 HE2 TYR 25 88.535 -6.139 -0.303 105 HH TYR 25 HH TYR 25 87.279 -4.749 -1.832 106 H TRP 26 H TRP 26 94.828 -2.965 3.171 107 HA TRP 26 HA TRP 26 94.236 -0.151 3.653 108 1HB TRP 26 1HB TRP 26 94.876 -1.601 5.562 109 2HB TRP 26 2HB TRP 26 96.432 -1.902 4.793 110 HD1 TRP 26 HD1 TRP 26 98.098 0.283 4.573 111 HE1 TRP 26 HE1 TRP 26 98.350 2.311 6.133 112 HE3 TRP 26 HE3 TRP 26 93.673 -0.088 7.106 113 HZ2 TRP 26 HZ2 TRP 26 96.869 3.588 8.170 114 HZ3 TRP 26 HZ3 TRP 26 93.168 1.577 8.846 115 HH2 TRP 26 HH2 TRP 26 94.734 3.376 9.366 116 H GLU 27 H GLU 27 96.399 -2.224 1.915 117 HA GLU 27 HA GLU 27 98.240 -0.091 1.250 118 1HB GLU 27 1HB GLU 27 98.573 -2.770 1.445 119 2HB GLU 27 2HB GLU 27 98.313 -2.616 -0.287 120 1HG GLU 27 1HG GLU 27 100.204 -0.677 0.810 121 2HG GLU 27 2HG GLU 27 100.708 -2.358 0.982 122 H SER 28 H SER 28 95.338 -1.435 0.032 123 HA SER 28 HA SER 28 95.721 -0.568 -2.688 124 1HB SER 28 1HB SER 28 94.221 -2.508 -1.768 125 2HB SER 28 2HB SER 28 93.047 -1.224 -1.502 126 HG SER 28 HG SER 28 93.066 -2.400 -3.624 127 H ALA 29 H ALA 29 93.862 0.476 0.119 128 HA ALA 29 HA ALA 29 92.497 2.621 -0.978 129 1HB ALA 29 1HB ALA 29 92.684 1.599 1.510 130 2HB ALA 29 2HB ALA 29 91.946 3.161 1.149 131 3HB ALA 29 3HB ALA 29 93.616 3.082 1.714 132 H LYS 30 H LYS 30 95.857 2.290 -0.178 133 HA LYS 30 HA LYS 30 96.399 5.124 -0.521 134 1HB LYS 30 1HB LYS 30 97.590 3.307 1.051 135 2HB LYS 30 2HB LYS 30 98.606 3.136 -0.374 136 1HG LYS 30 1HG LYS 30 99.609 5.114 -0.056 137 2HG LYS 30 2HG LYS 30 98.117 5.906 0.453 138 1HD LYS 30 1HD LYS 30 99.726 5.838 2.281 139 2HD LYS 30 2HD LYS 30 98.313 4.850 2.656 140 1HE LYS 30 1HE LYS 30 99.921 3.022 1.466 141 2HE LYS 30 2HE LYS 30 101.117 4.068 2.229 142 1HZ LYS 30 1HZ LYS 30 98.817 3.184 3.817 143 2HZ LYS 30 2HZ LYS 30 100.397 3.533 4.311 144 3HZ LYS 30 3HZ LYS 30 100.061 2.077 3.519 145 H THR 31 H THR 31 96.543 2.137 -2.307 146 HA THR 31 HA THR 31 98.290 3.024 -4.365 147 HB THR 31 HB THR 31 96.180 0.858 -4.441 148 HG1 THR 31 HG1 THR 31 97.643 -0.436 -3.589 149 1HG2 THR 31 1HG2 THR 31 97.790 -0.152 -6.119 150 2HG2 THR 31 2HG2 THR 31 98.487 1.463 -6.253 151 3HG2 THR 31 3HG2 THR 31 96.794 1.195 -6.670 152 H ALA 32 H ALA 32 94.850 3.287 -3.797 153 HA ALA 32 HA ALA 32 94.457 4.461 -6.455 154 1HB ALA 32 1HB ALA 32 92.928 2.647 -5.461 155 2HB ALA 32 2HB ALA 32 92.178 4.041 -6.238 156 3HB ALA 32 3HB ALA 32 92.264 3.952 -4.478 157 H ALA 33 H ALA 33 95.546 5.604 -3.684 158 HA ALA 33 HA ALA 33 93.822 7.951 -3.498 159 1HB ALA 33 1HB ALA 33 94.416 7.102 -1.378 160 2HB ALA 33 2HB ALA 33 95.401 8.548 -1.601 161 3HB ALA 33 3HB ALA 33 96.115 6.952 -1.827 162 H GLN 34 H GLN 34 97.270 7.205 -3.993 163 HA GLN 34 HA GLN 34 98.083 9.816 -4.603 164 1HB GLN 34 1HB GLN 34 99.203 7.106 -5.263 165 2HB GLN 34 2HB GLN 34 99.963 8.570 -5.871 166 1HG GLN 34 1HG GLN 34 100.857 9.079 -3.888 167 2HG GLN 34 2HG GLN 34 99.404 8.617 -3.002 168 1HE2 GLN 34 1HE2 GLN 34 101.735 6.911 -5.068 169 2HE2 GLN 34 2HE2 GLN 34 102.059 5.640 -3.943 170 H ASN 35 H ASN 35 96.324 7.506 -6.434 171 HA ASN 35 HA ASN 35 96.954 8.505 -9.031 172 1HB ASN 35 1HB ASN 35 95.893 6.217 -8.260 173 2HB ASN 35 2HB ASN 35 94.383 7.100 -8.434 174 1HD2 ASN 35 1HD2 ASN 35 93.715 7.762 -10.468 175 2HD2 ASN 35 2HD2 ASN 35 94.411 7.133 -11.917 176 H LEU 36 H LEU 36 93.935 8.648 -7.144 177 HA LEU 36 HA LEU 36 92.706 10.606 -8.736 178 1HB LEU 36 1HB LEU 36 91.202 10.947 -6.779 179 2HB LEU 36 2HB LEU 36 91.365 9.274 -7.278 180 HG LEU 36 HG LEU 36 93.262 9.325 -5.386 181 1HD1 LEU 36 1HD1 LEU 36 92.462 11.816 -5.048 182 2HD1 LEU 36 2HD1 LEU 36 92.932 10.805 -3.682 183 3HD1 LEU 36 3HD1 LEU 36 91.225 11.036 -4.062 184 1HD2 LEU 36 1HD2 LEU 36 90.351 9.054 -4.675 185 2HD2 LEU 36 2HD2 LEU 36 91.728 8.209 -3.968 186 3HD2 LEU 36 3HD2 LEU 36 91.228 7.853 -5.622 187 H TYR 37 H TYR 37 94.683 10.885 -5.812 188 HA TYR 37 HA TYR 37 94.358 13.646 -5.425 189 1HB TYR 37 1HB TYR 37 96.294 11.591 -4.519 190 2HB TYR 37 2HB TYR 37 96.818 13.268 -4.411 191 HD1 TYR 37 HD1 TYR 37 95.003 14.889 -3.321 192 HD2 TYR 37 HD2 TYR 37 95.206 10.685 -2.697 193 HE1 TYR 37 HE1 TYR 37 93.757 15.148 -1.217 194 HE2 TYR 37 HE2 TYR 37 93.958 10.932 -0.592 195 HH TYR 37 HH TYR 37 93.699 13.375 1.118 196 H GLU 38 H GLU 38 96.078 11.905 -7.795 197 HA GLU 38 HA GLU 38 98.086 13.818 -8.399 198 1HB GLU 38 1HB GLU 38 97.897 11.315 -9.095 199 2HB GLU 38 2HB GLU 38 96.942 11.932 -10.436 200 1HG GLU 38 1HG GLU 38 99.495 13.310 -10.005 201 2HG GLU 38 2HG GLU 38 99.628 11.614 -10.469 202 H LYS 39 H LYS 39 94.800 13.260 -9.546 203 HA LYS 39 HA LYS 39 95.005 15.652 -11.240 204 1HB LYS 39 1HB LYS 39 94.055 13.238 -11.935 205 2HB LYS 39 2HB LYS 39 92.572 13.951 -11.313 206 1HG LYS 39 1HG LYS 39 92.525 15.595 -12.945 207 2HG LYS 39 2HG LYS 39 94.245 15.425 -13.305 208 1HD LYS 39 1HD LYS 39 92.303 13.192 -13.811 209 2HD LYS 39 2HD LYS 39 92.565 14.475 -14.995 210 1HE LYS 39 1HE LYS 39 95.028 13.936 -14.847 211 2HE LYS 39 2HE LYS 39 94.574 12.505 -13.921 212 1HZ LYS 39 1HZ LYS 39 92.980 12.248 -16.031 213 2HZ LYS 39 2HZ LYS 39 94.533 11.579 -15.957 214 3HZ LYS 39 3HZ LYS 39 94.282 13.048 -16.760 215 H THR 40 H THR 40 94.717 15.653 -8.300 216 HA THR 40 HA THR 40 92.091 16.961 -8.081 217 HB THR 40 HB THR 40 93.768 15.660 -5.932 218 HG1 THR 40 HG1 THR 40 91.228 14.950 -6.965 219 1HG2 THR 40 1HG2 THR 40 92.544 16.600 -4.349 220 2HG2 THR 40 2HG2 THR 40 91.045 16.214 -5.194 221 3HG2 THR 40 3HG2 THR 40 91.916 17.700 -5.575 222 H TYR 41 H TYR 41 94.989 17.146 -6.067 223 HA TYR 41 HA TYR 41 95.414 19.921 -6.816 224 1HB TYR 41 1HB TYR 41 93.787 19.417 -4.675 225 2HB TYR 41 2HB TYR 41 95.358 19.568 -3.899 226 HD1 TYR 41 HD1 TYR 41 93.199 21.332 -6.384 227 HD2 TYR 41 HD2 TYR 41 96.105 21.675 -3.297 228 HE1 TYR 41 HE1 TYR 41 93.005 23.781 -6.483 229 HE2 TYR 41 HE2 TYR 41 95.920 24.126 -3.385 230 HH TYR 41 HH TYR 41 95.217 25.865 -4.909 231 H LEU 42 H LEU 42 96.902 17.440 -7.063 232 HA LEU 42 HA LEU 42 99.413 18.381 -5.985 233 1HB LEU 42 1HB LEU 42 98.246 15.723 -5.173 234 2HB LEU 42 2HB LEU 42 99.942 16.129 -4.996 235 HG LEU 42 HG LEU 42 98.916 18.205 -3.674 236 1HD1 LEU 42 1HD1 LEU 42 96.844 17.969 -2.845 237 2HD1 LEU 42 2HD1 LEU 42 97.011 16.226 -2.642 238 3HD1 LEU 42 3HD1 LEU 42 96.609 16.895 -4.223 239 1HD2 LEU 42 1HD2 LEU 42 99.267 16.930 -1.611 240 2HD2 LEU 42 2HD2 LEU 42 100.539 16.623 -2.792 241 3HD2 LEU 42 3HD2 LEU 42 99.263 15.432 -2.540 242 HA PRO 43 HA PRO 43 100.048 16.472 -10.061 243 1HB PRO 43 1HB PRO 43 101.972 18.133 -10.902 244 2HB PRO 43 2HB PRO 43 100.273 18.626 -10.870 245 1HG PRO 43 1HG PRO 43 102.465 19.253 -8.931 246 2HG PRO 43 2HG PRO 43 101.202 20.317 -9.575 247 1HD PRO 43 1HD PRO 43 101.089 19.100 -7.112 248 2HD PRO 43 2HD PRO 43 99.665 19.619 -8.033 249 H ALA 44 H ALA 44 101.801 16.376 -7.265 250 HA ALA 44 HA ALA 44 103.844 14.669 -8.504 251 1HB ALA 44 1HB ALA 44 104.388 16.672 -6.317 252 2HB ALA 44 2HB ALA 44 104.878 16.830 -8.004 253 3HB ALA 44 3HB ALA 44 105.552 15.540 -7.006 254 H VAL 45 H VAL 45 101.267 14.609 -6.612 255 HA VAL 45 HA VAL 45 102.074 13.400 -4.219 256 HB VAL 45 HB VAL 45 99.794 14.199 -4.562 257 1HG1 VAL 45 1HG1 VAL 45 99.413 13.628 -6.852 258 2HG1 VAL 45 2HG1 VAL 45 98.206 12.790 -5.878 259 3HG1 VAL 45 3HG1 VAL 45 99.597 11.908 -6.508 260 1HG2 VAL 45 1HG2 VAL 45 99.999 12.675 -2.780 261 2HG2 VAL 45 2HG2 VAL 45 100.125 11.294 -3.868 262 3HG2 VAL 45 3HG2 VAL 45 98.588 12.139 -3.691 263 H ASP 46 H ASP 46 101.830 12.189 -7.454 264 HA ASP 46 HA ASP 46 101.947 9.411 -6.695 265 1HB ASP 46 1HB ASP 46 101.064 10.650 -8.927 266 2HB ASP 46 2HB ASP 46 102.687 10.211 -9.452 267 H GLU 47 H GLU 47 104.185 11.955 -7.029 268 HA GLU 47 HA GLU 47 106.395 10.019 -6.928 269 1HB GLU 47 1HB GLU 47 107.730 11.831 -8.195 270 2HB GLU 47 2HB GLU 47 106.650 10.790 -9.111 271 1HG GLU 47 1HG GLU 47 105.048 12.485 -9.359 272 2HG GLU 47 2HG GLU 47 105.790 13.481 -8.108 273 H LYS 48 H LYS 48 104.940 11.514 -4.869 274 HA LYS 48 HA LYS 48 107.102 12.311 -3.270 275 1HB LYS 48 1HB LYS 48 105.866 14.417 -4.919 276 2HB LYS 48 2HB LYS 48 106.017 14.810 -3.213 277 1HG LYS 48 1HG LYS 48 108.455 13.644 -4.208 278 2HG LYS 48 2HG LYS 48 107.974 15.032 -5.185 279 1HD LYS 48 1HD LYS 48 107.999 16.481 -3.332 280 2HD LYS 48 2HD LYS 48 108.025 15.142 -2.182 281 1HE LYS 48 1HE LYS 48 110.243 16.016 -4.025 282 2HE LYS 48 2HE LYS 48 110.214 16.117 -2.265 283 1HZ LYS 48 1HZ LYS 48 109.963 13.593 -2.360 284 2HZ LYS 48 2HZ LYS 48 111.485 14.241 -2.713 285 3HZ LYS 48 3HZ LYS 48 110.476 13.718 -3.967 286 H LEU 49 H LEU 49 103.865 13.754 -3.633 287 HA LEU 49 HA LEU 49 101.975 13.576 -2.351 288 1HB LEU 49 1HB LEU 49 102.689 11.130 -2.136 289 2HB LEU 49 2HB LEU 49 103.392 11.583 -0.596 290 HG LEU 49 HG LEU 49 100.592 12.406 -0.917 291 1HD1 LEU 49 1HD1 LEU 49 100.448 10.315 -2.117 292 2HD1 LEU 49 2HD1 LEU 49 99.712 10.140 -0.524 293 3HD1 LEU 49 3HD1 LEU 49 101.319 9.483 -0.829 294 1HD2 LEU 49 1HD2 LEU 49 101.510 12.686 1.209 295 2HD2 LEU 49 2HD2 LEU 49 102.301 11.111 1.178 296 3HD2 LEU 49 3HD2 LEU 49 100.549 11.214 1.355 297 H ARG 50 H ARG 50 105.079 13.691 -0.719 298 HA ARG 50 HA ARG 50 104.785 16.129 0.478 299 1HB ARG 50 1HB ARG 50 103.141 14.225 1.791 300 2HB ARG 50 2HB ARG 50 104.481 14.576 2.871 301 1HG ARG 50 1HG ARG 50 103.933 16.842 3.006 302 2HG ARG 50 2HG ARG 50 102.905 16.768 1.572 303 1HD ARG 50 1HD ARG 50 101.191 15.667 2.712 304 2HD ARG 50 2HD ARG 50 102.259 15.169 4.023 305 HE ARG 50 HE ARG 50 102.289 17.863 4.206 306 1HH1 ARG 50 1HH1 ARG 50 99.706 15.521 4.038 307 2HH1 ARG 50 2HH1 ARG 50 98.608 16.480 4.973 308 1HH2 ARG 50 1HH2 ARG 50 100.845 19.126 5.435 309 2HH2 ARG 50 2HH2 ARG 50 99.254 18.527 5.765 310 H ASP 51 H ASP 51 106.796 14.524 -0.695 311 HA ASP 51 HA ASP 51 109.064 14.318 -0.453 312 1HB ASP 51 1HB ASP 51 108.530 16.038 1.571 313 2HB ASP 51 2HB ASP 51 109.120 14.652 2.483 314 H LEU 52 H LEU 52 106.991 12.256 -0.016 315 HA LEU 52 HA LEU 52 108.227 10.425 1.862 316 1HB LEU 52 1HB LEU 52 105.709 10.468 0.279 317 2HB LEU 52 2HB LEU 52 106.346 8.907 0.760 318 HG LEU 52 HG LEU 52 104.656 9.741 2.334 319 1HD1 LEU 52 1HD1 LEU 52 105.717 8.877 4.125 320 2HD1 LEU 52 2HD1 LEU 52 107.113 9.940 3.950 321 3HD1 LEU 52 3HD1 LEU 52 106.964 8.503 2.936 322 1HD2 LEU 52 1HD2 LEU 52 105.382 11.656 3.834 323 2HD2 LEU 52 2HD2 LEU 52 104.854 12.083 2.206 324 3HD2 LEU 52 3HD2 LEU 52 106.575 12.039 2.593 325 H TYR 53 H TYR 53 109.178 11.369 -1.004 326 HA TYR 53 HA TYR 53 109.630 8.753 -2.206 327 1HB TYR 53 1HB TYR 53 109.374 11.416 -3.191 328 2HB TYR 53 2HB TYR 53 110.977 10.825 -3.608 329 HD1 TYR 53 HD1 TYR 53 111.032 10.134 -5.809 330 HD2 TYR 53 HD2 TYR 53 107.611 9.205 -3.457 331 HE1 TYR 53 HE1 TYR 53 110.084 8.877 -7.697 332 HE2 TYR 53 HE2 TYR 53 106.653 7.944 -5.339 333 HH TYR 53 HH TYR 53 107.968 8.089 -8.508 334 H SER 54 H SER 54 111.324 11.348 -0.577 335 HA SER 54 HA SER 54 113.921 10.196 -1.055 336 1HB SER 54 1HB SER 54 112.890 12.636 0.287 337 2HB SER 54 2HB SER 54 114.437 12.012 0.861 338 HG SER 54 HG SER 54 115.343 12.460 -1.027 339 H LYS 55 H LYS 55 111.819 8.716 0.362 340 HA LYS 55 HA LYS 55 113.480 7.658 2.477 341 1HB LYS 55 1HB LYS 55 111.597 9.478 3.226 342 2HB LYS 55 2HB LYS 55 110.663 7.991 3.310 343 1HG LYS 55 1HG LYS 55 111.963 7.112 5.001 344 2HG LYS 55 2HG LYS 55 113.346 8.137 4.609 345 1HD LYS 55 1HD LYS 55 111.479 10.000 5.247 346 2HD LYS 55 2HD LYS 55 111.011 8.675 6.313 347 1HE LYS 55 1HE LYS 55 113.604 8.611 6.796 348 2HE LYS 55 2HE LYS 55 113.511 10.289 6.263 349 1HZ LYS 55 1HZ LYS 55 112.466 9.049 8.675 350 2HZ LYS 55 2HZ LYS 55 111.476 10.218 7.959 351 3HZ LYS 55 3HZ LYS 55 113.051 10.616 8.429 352 H SER 56 H SER 56 111.009 7.418 0.121 353 HA SER 56 HA SER 56 110.272 4.701 0.831 354 1HB SER 56 1HB SER 56 108.429 5.913 -0.004 355 2HB SER 56 2HB SER 56 109.380 6.631 -1.304 356 HG SER 56 HG SER 56 108.120 4.179 -1.174 357 H THR 57 H THR 57 111.829 6.430 -1.856 358 HA THR 57 HA THR 57 113.077 3.882 -2.636 359 HB THR 57 HB THR 57 113.080 6.130 -4.555 360 HG1 THR 57 HG1 THR 57 110.727 4.695 -3.900 361 1HG2 THR 57 1HG2 THR 57 113.414 3.320 -4.652 362 2HG2 THR 57 2HG2 THR 57 113.580 4.500 -5.953 363 3HG2 THR 57 3HG2 THR 57 112.015 3.749 -5.638 364 H ALA 58 H ALA 58 113.805 6.246 -0.773 365 HA ALA 58 HA ALA 58 116.350 7.070 -1.910 366 1HB ALA 58 1HB ALA 58 115.301 8.807 -0.712 367 2HB ALA 58 2HB ALA 58 116.573 8.226 0.362 368 3HB ALA 58 3HB ALA 58 114.898 7.746 0.638 369 H ALA 59 H ALA 59 115.113 5.257 0.865 370 HA ALA 59 HA ALA 59 117.696 4.313 1.661 371 1HB ALA 59 1HB ALA 59 116.047 2.607 2.900 372 2HB ALA 59 2HB ALA 59 114.898 3.893 2.532 373 3HB ALA 59 3HB ALA 59 116.341 4.246 3.482 374 H MET 60 H MET 60 115.514 3.481 -0.813 375 HA MET 60 HA MET 60 116.248 0.685 -0.936 376 1HB MET 60 1HB MET 60 113.992 1.500 -1.610 377 2HB MET 60 2HB MET 60 114.738 2.359 -2.950 378 1HG MET 60 1HG MET 60 115.037 0.489 -4.168 379 2HG MET 60 2HG MET 60 115.351 -0.515 -2.754 380 1HE MET 60 1HE MET 60 113.654 -1.513 -5.255 381 2HE MET 60 2HE MET 60 112.315 -2.324 -4.444 382 3HE MET 60 3HE MET 60 113.957 -2.505 -3.829 383 H SER 61 H SER 61 117.353 3.698 -2.236 384 HA SER 61 HA SER 61 118.935 2.365 -4.297 385 1HB SER 61 1HB SER 61 118.726 5.317 -3.670 386 2HB SER 61 2HB SER 61 119.477 4.597 -5.093 387 HG SER 61 HG SER 61 116.753 4.767 -4.412 388 H THR 62 H THR 62 119.454 2.121 -1.351 389 HA THR 62 HA THR 62 122.095 3.367 -1.170 390 HB THR 62 HB THR 62 121.373 1.840 1.157 391 HG1 THR 62 HG1 THR 62 119.514 3.855 0.441 392 1HG2 THR 62 1HG2 THR 62 122.879 3.566 1.511 393 2HG2 THR 62 2HG2 THR 62 121.370 4.183 2.184 394 3HG2 THR 62 3HG2 THR 62 121.914 4.726 0.597 395 H TYR 63 H TYR 63 120.596 0.422 -1.899 396 HA TYR 63 HA TYR 63 122.205 -1.549 -0.918 397 1HB TYR 63 1HB TYR 63 120.594 -1.207 -3.360 398 2HB TYR 63 2HB TYR 63 121.851 -2.431 -3.461 399 HD1 TYR 63 HD1 TYR 63 121.740 -4.450 -2.120 400 HD2 TYR 63 HD2 TYR 63 118.718 -1.469 -1.828 401 HE1 TYR 63 HE1 TYR 63 120.291 -6.042 -0.931 402 HE2 TYR 63 HE2 TYR 63 117.262 -3.053 -0.638 403 HH TYR 63 HH TYR 63 118.012 -5.446 0.899 404 H THR 64 H THR 64 122.998 0.874 -3.269 405 HA THR 64 HA THR 64 125.135 -0.213 -4.617 406 HB THR 64 HB THR 64 124.944 2.597 -3.508 407 HG1 THR 64 HG1 THR 64 123.605 2.988 -5.074 408 1HG2 THR 64 1HG2 THR 64 127.149 2.344 -4.296 409 2HG2 THR 64 2HG2 THR 64 126.254 3.170 -5.572 410 3HG2 THR 64 3HG2 THR 64 126.615 1.450 -5.719 411 H GLY 65 H GLY 65 124.906 0.678 -1.260 412 1HA GLY 65 1HA GLY 65 127.791 0.151 -0.926 413 2HA GLY 65 2HA GLY 65 126.811 1.091 0.187 414 H ILE 66 H ILE 66 124.799 -1.328 -0.528 415 HA ILE 66 HA ILE 66 125.788 -2.980 1.696 416 HB ILE 66 HB ILE 66 122.960 -2.922 0.688 417 1HG1 ILE 66 1HG1 ILE 66 124.099 -1.287 2.963 418 2HG1 ILE 66 2HG1 ILE 66 123.674 -0.637 1.383 419 1HG2 ILE 66 1HG2 ILE 66 122.518 -4.382 2.313 420 2HG2 ILE 66 2HG2 ILE 66 123.418 -3.445 3.505 421 3HG2 ILE 66 3HG2 ILE 66 124.262 -4.589 2.462 422 1HD1 ILE 66 1HD1 ILE 66 121.597 -2.118 2.900 423 2HD1 ILE 66 2HD1 ILE 66 121.436 -0.762 1.783 424 3HD1 ILE 66 3HD1 ILE 66 122.028 -0.490 3.422 425 H PHE 67 H PHE 67 125.386 -2.987 -1.645 426 HA PHE 67 HA PHE 67 124.414 -5.423 -2.380 427 1HB PHE 67 1HB PHE 67 126.181 -3.470 -3.529 428 2HB PHE 67 2HB PHE 67 126.768 -5.085 -3.915 429 HD1 PHE 67 HD1 PHE 67 124.079 -2.667 -4.386 430 HD2 PHE 67 HD2 PHE 67 125.449 -6.596 -5.277 431 HE1 PHE 67 HE1 PHE 67 122.398 -2.843 -6.173 432 HE2 PHE 67 HE2 PHE 67 123.771 -6.779 -7.067 433 HZ PHE 67 HZ PHE 67 122.243 -4.901 -7.517 434 H THR 68 H THR 68 127.418 -4.754 -0.751 435 HA THR 68 HA THR 68 128.125 -7.605 -0.862 436 HB THR 68 HB THR 68 129.866 -5.247 -0.109 437 HG1 THR 68 HG1 THR 68 130.833 -5.673 -2.148 438 1HG2 THR 68 1HG2 THR 68 130.836 -7.977 -0.849 439 2HG2 THR 68 2HG2 THR 68 130.461 -7.552 0.821 440 3HG2 THR 68 3HG2 THR 68 131.705 -6.663 -0.058 441 H ASP 69 H ASP 69 127.163 -5.012 1.223 442 HA ASP 69 HA ASP 69 128.017 -6.224 3.670 443 1HB ASP 69 1HB ASP 69 127.180 -3.719 2.995 444 2HB ASP 69 2HB ASP 69 125.737 -4.353 3.780 445 H GLN 70 H GLN 70 125.078 -6.250 1.748 446 HA GLN 70 HA GLN 70 123.440 -7.544 3.668 447 1HB GLN 70 1HB GLN 70 122.950 -6.329 1.304 448 2HB GLN 70 2HB GLN 70 122.884 -8.012 0.798 449 1HG GLN 70 1HG GLN 70 121.384 -7.371 3.242 450 2HG GLN 70 2HG GLN 70 120.783 -6.628 1.760 451 1HE2 GLN 70 1HE2 GLN 70 118.925 -8.036 2.347 452 2HE2 GLN 70 2HE2 GLN 70 118.922 -9.652 1.738 453 H VAL 71 H VAL 71 125.745 -8.655 1.297 454 HA VAL 71 HA VAL 71 124.943 -11.428 1.546 455 HB VAL 71 HB VAL 71 127.284 -10.169 0.115 456 1HG1 VAL 71 1HG1 VAL 71 127.096 -12.469 -1.131 457 2HG1 VAL 71 2HG1 VAL 71 126.366 -12.996 0.386 458 3HG1 VAL 71 3HG1 VAL 71 128.004 -12.340 0.375 459 1HG2 VAL 71 1HG2 VAL 71 126.015 -9.995 -1.754 460 2HG2 VAL 71 2HG2 VAL 71 124.719 -9.857 -0.565 461 3HG2 VAL 71 3HG2 VAL 71 125.033 -11.404 -1.354 462 H LEU 72 H LEU 72 127.625 -9.348 2.548 463 HA LEU 72 HA LEU 72 129.257 -11.322 3.682 464 1HB LEU 72 1HB LEU 72 129.694 -8.798 3.226 465 2HB LEU 72 2HB LEU 72 129.051 -8.566 4.840 466 HG LEU 72 HG LEU 72 131.529 -8.657 4.760 467 1HD1 LEU 72 1HD1 LEU 72 130.760 -11.076 6.281 468 2HD1 LEU 72 2HD1 LEU 72 129.909 -9.578 6.660 469 3HD1 LEU 72 3HD1 LEU 72 131.666 -9.652 6.792 470 1HD2 LEU 72 1HD2 LEU 72 131.190 -11.581 4.137 471 2HD2 LEU 72 2HD2 LEU 72 132.690 -10.661 4.257 472 3HD2 LEU 72 3HD2 LEU 72 131.583 -10.372 2.914 473 H SER 73 H SER 73 126.374 -9.771 4.849 474 HA SER 73 HA SER 73 126.727 -10.561 7.588 475 1HB SER 73 1HB SER 73 124.270 -9.572 6.122 476 2HB SER 73 2HB SER 73 124.397 -9.777 7.869 477 HG SER 73 HG SER 73 126.107 -8.232 7.822 478 H VAL 74 H VAL 74 125.427 -11.996 4.724 479 HA VAL 74 HA VAL 74 123.618 -13.826 5.809 480 HB VAL 74 HB VAL 74 125.403 -14.151 3.392 481 1HG1 VAL 74 1HG1 VAL 74 124.705 -16.310 3.669 482 2HG1 VAL 74 2HG1 VAL 74 123.325 -15.670 2.775 483 3HG1 VAL 74 3HG1 VAL 74 123.238 -15.841 4.528 484 1HG2 VAL 74 1HG2 VAL 74 124.033 -12.235 3.110 485 2HG2 VAL 74 2HG2 VAL 74 122.619 -13.070 3.751 486 3HG2 VAL 74 3HG2 VAL 74 123.283 -13.534 2.184 487 H LEU 75 H LEU 75 127.109 -13.840 5.689 488 HA LEU 75 HA LEU 75 127.628 -16.530 6.191 489 1HB LEU 75 1HB LEU 75 129.062 -13.977 6.737 490 2HB LEU 75 2HB LEU 75 129.641 -15.429 7.532 491 HG LEU 75 HG LEU 75 129.556 -16.397 5.066 492 1HD1 LEU 75 1HD1 LEU 75 130.054 -14.794 3.381 493 2HD1 LEU 75 2HD1 LEU 75 130.128 -13.486 4.562 494 3HD1 LEU 75 3HD1 LEU 75 128.585 -14.258 4.197 495 1HD2 LEU 75 1HD2 LEU 75 131.766 -14.551 5.949 496 2HD2 LEU 75 2HD2 LEU 75 131.897 -15.946 4.878 497 3HD2 LEU 75 3HD2 LEU 75 131.521 -16.178 6.586 498 H LYS 76 H LYS 76 126.293 -14.085 8.224 499 HA LYS 76 HA LYS 76 125.463 -15.882 10.196 500 1HB LYS 76 1HB LYS 76 126.893 -14.987 12.095 501 2HB LYS 76 2HB LYS 76 127.693 -16.084 10.977 502 1HG LYS 76 1HG LYS 76 128.232 -13.683 9.832 503 2HG LYS 76 2HG LYS 76 128.211 -13.258 11.545 504 1HD LYS 76 1HD LYS 76 129.833 -15.023 12.010 505 2HD LYS 76 2HD LYS 76 129.839 -15.477 10.304 506 1HE LYS 76 1HE LYS 76 131.600 -14.092 10.168 507 2HE LYS 76 2HE LYS 76 130.381 -12.818 10.152 508 1HZ LYS 76 1HZ LYS 76 132.238 -13.583 12.252 509 2HZ LYS 76 2HZ LYS 76 130.681 -13.168 12.766 510 3HZ LYS 76 3HZ LYS 76 131.597 -12.063 11.871 511 H GLY 77 H GLY 77 123.617 -14.990 10.721 512 1HA GLY 77 1HA GLY 77 122.540 -13.252 12.070 513 2HA GLY 77 2HA GLY 77 123.552 -12.082 11.232 514 H GLU 78 H GLU 78 122.885 -14.056 8.826 515 HA GLU 78 HA GLU 78 121.616 -13.777 6.950 516 1HB GLU 78 1HB GLU 78 120.282 -15.287 8.378 517 2HB GLU 78 2HB GLU 78 119.418 -13.896 9.013 518 1HG GLU 78 1HG GLU 78 118.201 -13.601 7.114 519 2HG GLU 78 2HG GLU 78 119.461 -14.262 6.073 520 H GLU 79 H GLU 79 122.469 -11.293 8.189 521 HA GLU 79 HA GLU 79 120.260 -9.449 7.971 522 1HB GLU 79 1HB GLU 79 122.642 -9.383 9.310 523 2HB GLU 79 2HB GLU 79 122.990 -8.348 7.932 524 1HG GLU 79 1HG GLU 79 120.531 -7.454 8.752 525 2HG GLU 79 2HG GLU 79 121.330 -7.859 10.270 Start of MODEL 12 1 H THR 13 H THR 13 90.088 4.000 22.995 2 HA THR 13 HA THR 13 89.269 1.218 22.551 3 HB THR 13 HB THR 13 89.711 2.007 20.162 4 HG1 THR 13 HG1 THR 13 89.709 4.227 19.851 5 1HG2 THR 13 1HG2 THR 13 87.599 3.421 20.071 6 2HG2 THR 13 2HG2 THR 13 87.476 3.131 21.806 7 3HG2 THR 13 3HG2 THR 13 87.452 1.773 20.680 8 H PHE 14 H PHE 14 91.747 3.271 21.104 9 HA PHE 14 HA PHE 14 94.032 3.120 21.060 10 1HB PHE 14 1HB PHE 14 93.513 1.790 23.409 11 2HB PHE 14 2HB PHE 14 94.336 0.557 22.459 12 HD1 PHE 14 HD1 PHE 14 96.648 0.537 22.335 13 HD2 PHE 14 HD2 PHE 14 94.658 4.086 23.580 14 HE1 PHE 14 HE1 PHE 14 98.818 1.553 22.893 15 HE2 PHE 14 HE2 PHE 14 96.825 5.109 24.139 16 HZ PHE 14 HZ PHE 14 98.909 3.842 23.796 17 H LEU 15 H LEU 15 92.267 0.062 20.781 18 HA LEU 15 HA LEU 15 94.091 -0.968 18.801 19 1HB LEU 15 1HB LEU 15 92.424 -2.818 18.625 20 2HB LEU 15 2HB LEU 15 93.067 -2.573 20.237 21 HG LEU 15 HG LEU 15 90.545 -1.153 19.651 22 1HD1 LEU 15 1HD1 LEU 15 90.535 -3.584 18.615 23 2HD1 LEU 15 2HD1 LEU 15 89.143 -2.939 19.485 24 3HD1 LEU 15 3HD1 LEU 15 90.260 -4.036 20.297 25 1HD2 LEU 15 1HD2 LEU 15 90.267 -1.290 21.885 26 2HD2 LEU 15 2HD2 LEU 15 92.003 -1.604 21.871 27 3HD2 LEU 15 3HD2 LEU 15 90.864 -2.948 21.966 28 H THR 16 H THR 16 90.992 0.650 18.887 29 HA THR 16 HA THR 16 90.340 0.208 16.144 30 HB THR 16 HB THR 16 89.324 2.498 17.816 31 HG1 THR 16 HG1 THR 16 87.933 1.135 18.810 32 1HG2 THR 16 1HG2 THR 16 88.593 1.412 15.293 33 2HG2 THR 16 2HG2 THR 16 87.889 2.775 16.166 34 3HG2 THR 16 3HG2 THR 16 87.278 1.142 16.437 35 H GLN 17 H GLN 17 92.293 2.517 17.859 36 HA GLN 17 HA GLN 17 92.326 4.563 15.930 37 1HB GLN 17 1HB GLN 17 93.766 5.578 17.335 38 2HB GLN 17 2HB GLN 17 93.397 4.251 18.424 39 1HG GLN 17 1HG GLN 17 95.386 3.124 17.899 40 2HG GLN 17 2HG GLN 17 95.666 4.113 16.464 41 1HE2 GLN 17 1HE2 GLN 17 97.767 4.544 17.280 42 2HE2 GLN 17 2HE2 GLN 17 98.009 5.720 18.521 43 H VAL 18 H VAL 18 94.567 1.838 16.464 44 HA VAL 18 HA VAL 18 96.209 2.364 14.239 45 HB VAL 18 HB VAL 18 95.742 -0.463 15.066 46 1HG1 VAL 18 1HG1 VAL 18 97.845 -0.814 14.315 47 2HG1 VAL 18 2HG1 VAL 18 98.429 0.748 14.889 48 3HG1 VAL 18 3HG1 VAL 18 97.503 0.650 13.391 49 1HG2 VAL 18 1HG2 VAL 18 96.905 1.680 16.812 50 2HG2 VAL 18 2HG2 VAL 18 97.448 0.008 16.945 51 3HG2 VAL 18 3HG2 VAL 18 95.755 0.410 17.230 52 H LYS 19 H LYS 19 93.207 0.596 14.631 53 HA LYS 19 HA LYS 19 93.110 -0.722 12.179 54 1HB LYS 19 1HB LYS 19 91.081 0.250 14.129 55 2HB LYS 19 2HB LYS 19 90.512 -0.181 12.523 56 1HG LYS 19 1HG LYS 19 92.184 -2.279 13.303 57 2HG LYS 19 2HG LYS 19 91.226 -1.878 14.729 58 1HD LYS 19 1HD LYS 19 89.819 -3.364 13.700 59 2HD LYS 19 2HD LYS 19 89.254 -1.855 12.981 60 1HE LYS 19 1HE LYS 19 89.477 -3.350 11.181 61 2HE LYS 19 2HE LYS 19 90.901 -2.314 11.101 62 1HZ LYS 19 1HZ LYS 19 91.248 -4.798 10.828 63 2HZ LYS 19 2HZ LYS 19 90.960 -4.922 12.490 64 3HZ LYS 19 3HZ LYS 19 92.261 -4.002 11.925 65 H GLU 20 H GLU 20 92.766 2.621 12.989 66 HA GLU 20 HA GLU 20 91.517 3.371 10.496 67 1HB GLU 20 1HB GLU 20 92.907 5.101 12.553 68 2HB GLU 20 2HB GLU 20 91.874 5.669 11.249 69 1HG GLU 20 1HG GLU 20 90.785 3.726 13.225 70 2HG GLU 20 2HG GLU 20 90.953 5.422 13.678 71 H SER 21 H SER 21 94.693 2.758 11.625 72 HA SER 21 HA SER 21 95.933 4.178 9.393 73 1HB SER 21 1HB SER 21 96.704 3.582 12.077 74 2HB SER 21 2HB SER 21 97.857 2.836 10.977 75 HG SER 21 HG SER 21 97.141 5.562 11.185 76 H LEU 22 H LEU 22 96.035 0.944 10.943 77 HA LEU 22 HA LEU 22 97.512 -0.308 8.919 78 1HB LEU 22 1HB LEU 22 96.790 -2.394 9.861 79 2HB LEU 22 2HB LEU 22 97.097 -1.263 11.165 80 HG LEU 22 HG LEU 22 94.453 -0.863 10.828 81 1HD1 LEU 22 1HD1 LEU 22 93.279 -2.685 10.125 82 2HD1 LEU 22 2HD1 LEU 22 94.568 -3.816 10.540 83 3HD1 LEU 22 3HD1 LEU 22 94.696 -2.829 9.084 84 1HD2 LEU 22 1HD2 LEU 22 95.773 -3.008 12.485 85 2HD2 LEU 22 2HD2 LEU 22 94.141 -2.390 12.742 86 3HD2 LEU 22 3HD2 LEU 22 95.531 -1.323 12.942 87 H SER 23 H SER 23 94.280 0.771 8.981 88 HA SER 23 HA SER 23 93.581 -0.865 6.643 89 1HB SER 23 1HB SER 23 91.705 0.871 8.254 90 2HB SER 23 2HB SER 23 91.285 -0.408 7.115 91 HG SER 23 HG SER 23 92.083 -1.920 8.554 92 H SER 24 H SER 24 94.585 2.262 7.543 93 HA SER 24 HA SER 24 93.229 3.726 5.505 94 1HB SER 24 1HB SER 24 95.220 4.285 7.574 95 2HB SER 24 2HB SER 24 95.489 5.202 6.093 96 HG SER 24 HG SER 24 93.749 6.329 6.476 97 H TYR 25 H TYR 25 95.740 1.508 5.387 98 HA TYR 25 HA TYR 25 96.838 2.663 2.924 99 1HB TYR 25 1HB TYR 25 97.884 0.671 4.911 100 2HB TYR 25 2HB TYR 25 98.506 0.672 3.264 101 HD1 TYR 25 HD1 TYR 25 99.866 2.513 2.449 102 HD2 TYR 25 HD2 TYR 25 98.353 2.514 6.425 103 HE1 TYR 25 HE1 TYR 25 101.427 4.321 3.035 104 HE2 TYR 25 HE2 TYR 25 99.909 4.322 7.023 105 HH TYR 25 HH TYR 25 101.210 6.291 5.253 106 H TRP 26 H TRP 26 94.685 0.340 4.088 107 HA TRP 26 HA TRP 26 94.916 -1.382 1.744 108 1HB TRP 26 1HB TRP 26 94.530 -2.448 3.930 109 2HB TRP 26 2HB TRP 26 93.045 -1.523 4.125 110 HD1 TRP 26 HD1 TRP 26 90.884 -2.429 2.947 111 HE1 TRP 26 HE1 TRP 26 90.342 -4.577 1.643 112 HE3 TRP 26 HE3 TRP 26 95.637 -4.181 2.259 113 HZ2 TRP 26 HZ2 TRP 26 91.743 -6.734 0.476 114 HZ3 TRP 26 HZ3 TRP 26 95.949 -6.294 1.038 115 HH2 TRP 26 HH2 TRP 26 94.041 -7.543 0.166 116 H GLU 27 H GLU 27 92.981 1.161 3.093 117 HA GLU 27 HA GLU 27 90.879 0.874 1.122 118 1HB GLU 27 1HB GLU 27 89.958 2.930 2.176 119 2HB GLU 27 2HB GLU 27 90.222 1.623 3.320 120 1HG GLU 27 1HG GLU 27 91.513 2.914 4.561 121 2HG GLU 27 2HG GLU 27 92.573 3.231 3.189 122 H SER 28 H SER 28 93.876 2.498 1.460 123 HA SER 28 HA SER 28 93.317 4.567 -0.462 124 1HB SER 28 1HB SER 28 95.054 4.551 1.500 125 2HB SER 28 2HB SER 28 96.082 3.729 0.334 126 HG SER 28 HG SER 28 95.564 5.564 -1.095 127 H ALA 29 H ALA 29 95.098 1.533 -0.369 128 HA ALA 29 HA ALA 29 96.217 1.520 -2.897 129 1HB ALA 29 1HB ALA 29 94.989 -0.959 -1.731 130 2HB ALA 29 2HB ALA 29 96.418 -0.216 -1.012 131 3HB ALA 29 3HB ALA 29 96.469 -0.793 -2.678 132 H LYS 30 H LYS 30 92.909 1.042 -1.922 133 HA LYS 30 HA LYS 30 92.078 0.197 -4.576 134 1HB LYS 30 1HB LYS 30 91.106 -0.411 -2.131 135 2HB LYS 30 2HB LYS 30 90.054 0.937 -2.542 136 1HG LYS 30 1HG LYS 30 89.558 -0.260 -4.702 137 2HG LYS 30 2HG LYS 30 90.397 -1.654 -4.023 138 1HD LYS 30 1HD LYS 30 88.778 -1.256 -2.000 139 2HD LYS 30 2HD LYS 30 87.809 -0.409 -3.208 140 1HE LYS 30 1HE LYS 30 88.854 -3.183 -3.678 141 2HE LYS 30 2HE LYS 30 87.339 -2.898 -2.824 142 1HZ LYS 30 1HZ LYS 30 86.798 -1.461 -4.887 143 2HZ LYS 30 2HZ LYS 30 86.647 -3.142 -4.988 144 3HZ LYS 30 3HZ LYS 30 88.006 -2.375 -5.641 145 H THR 31 H THR 31 92.188 3.062 -2.594 146 HA THR 31 HA THR 31 90.338 4.595 -4.137 147 HB THR 31 HB THR 31 92.531 5.519 -2.269 148 HG1 THR 31 HG1 THR 31 91.018 5.435 -0.699 149 1HG2 THR 31 1HG2 THR 31 90.342 7.262 -2.194 150 2HG2 THR 31 2HG2 THR 31 90.724 7.016 -3.898 151 3HG2 THR 31 3HG2 THR 31 91.969 7.587 -2.788 152 H ALA 32 H ALA 32 93.759 3.927 -4.311 153 HA ALA 32 HA ALA 32 93.982 5.767 -6.603 154 1HB ALA 32 1HB ALA 32 95.575 6.523 -5.113 155 2HB ALA 32 2HB ALA 32 96.516 5.423 -6.121 156 3HB ALA 32 3HB ALA 32 95.955 4.902 -4.532 157 H ALA 33 H ALA 33 93.040 2.877 -6.425 158 HA ALA 33 HA ALA 33 95.071 1.505 -8.003 159 1HB ALA 33 1HB ALA 33 92.703 0.696 -6.451 160 2HB ALA 33 2HB ALA 33 94.253 -0.117 -6.667 161 3HB ALA 33 3HB ALA 33 93.011 -0.240 -7.913 162 H GLN 34 H GLN 34 91.603 2.286 -8.303 163 HA GLN 34 HA GLN 34 91.272 1.517 -10.949 164 1HB GLN 34 1HB GLN 34 89.565 2.387 -9.146 165 2HB GLN 34 2HB GLN 34 89.850 3.939 -9.923 166 1HG GLN 34 1HG GLN 34 89.036 3.145 -12.003 167 2HG GLN 34 2HG GLN 34 89.005 1.479 -11.427 168 1HE2 GLN 34 1HE2 GLN 34 87.327 0.786 -10.151 169 2HE2 GLN 34 2HE2 GLN 34 85.894 1.717 -9.893 170 H ASN 35 H ASN 35 92.880 4.266 -9.640 171 HA ASN 35 HA ASN 35 92.810 5.856 -12.027 172 1HB ASN 35 1HB ASN 35 93.212 6.543 -9.510 173 2HB ASN 35 2HB ASN 35 94.892 6.211 -9.909 174 1HD2 ASN 35 1HD2 ASN 35 95.518 7.210 -12.124 175 2HD2 ASN 35 2HD2 ASN 35 95.071 8.867 -12.325 176 H LEU 36 H LEU 36 95.497 4.279 -10.300 177 HA LEU 36 HA LEU 36 97.386 4.508 -12.332 178 1HB LEU 36 1HB LEU 36 98.556 2.626 -11.194 179 2HB LEU 36 2HB LEU 36 98.096 3.941 -10.130 180 HG LEU 36 HG LEU 36 96.002 2.470 -9.631 181 1HD1 LEU 36 1HD1 LEU 36 97.244 0.008 -9.725 182 2HD1 LEU 36 2HD1 LEU 36 97.617 0.721 -11.295 183 3HD1 LEU 36 3HD1 LEU 36 95.938 0.560 -10.774 184 1HD2 LEU 36 1HD2 LEU 36 98.693 1.606 -8.588 185 2HD2 LEU 36 2HD2 LEU 36 97.135 1.484 -7.770 186 3HD2 LEU 36 3HD2 LEU 36 97.852 3.067 -8.071 187 H TYR 37 H TYR 37 94.899 2.082 -11.808 188 HA TYR 37 HA TYR 37 95.807 0.145 -13.613 189 1HB TYR 37 1HB TYR 37 93.636 0.397 -11.939 190 2HB TYR 37 2HB TYR 37 92.894 0.436 -13.534 191 HD1 TYR 37 HD1 TYR 37 93.088 -1.702 -11.090 192 HD2 TYR 37 HD2 TYR 37 94.655 -1.402 -15.035 193 HE1 TYR 37 HE1 TYR 37 93.238 -4.154 -11.211 194 HE2 TYR 37 HE2 TYR 37 94.808 -3.853 -15.166 195 HH TYR 37 HH TYR 37 94.926 -5.817 -12.837 196 H GLU 38 H GLU 38 94.510 3.247 -14.170 197 HA GLU 38 HA GLU 38 93.395 2.812 -16.745 198 1HB GLU 38 1HB GLU 38 93.321 4.873 -14.989 199 2HB GLU 38 2HB GLU 38 94.505 5.484 -16.136 200 1HG GLU 38 1HG GLU 38 91.745 4.519 -16.849 201 2HG GLU 38 2HG GLU 38 92.213 6.206 -16.643 202 H LYS 39 H LYS 39 96.606 3.515 -15.556 203 HA LYS 39 HA LYS 39 97.623 3.896 -18.266 204 1HB LYS 39 1HB LYS 39 98.550 4.549 -15.557 205 2HB LYS 39 2HB LYS 39 99.819 3.962 -16.623 206 1HG LYS 39 1HG LYS 39 99.942 6.188 -17.062 207 2HG LYS 39 2HG LYS 39 98.763 5.711 -18.285 208 1HD LYS 39 1HD LYS 39 97.493 7.346 -17.425 209 2HD LYS 39 2HD LYS 39 97.169 6.204 -16.119 210 1HE LYS 39 1HE LYS 39 97.905 7.900 -14.826 211 2HE LYS 39 2HE LYS 39 99.488 7.254 -15.253 212 1HZ LYS 39 1HZ LYS 39 99.693 8.875 -16.985 213 2HZ LYS 39 2HZ LYS 39 99.303 9.680 -15.549 214 3HZ LYS 39 3HZ LYS 39 98.116 9.435 -16.730 215 H THR 40 H THR 40 96.662 1.275 -16.939 216 HA THR 40 HA THR 40 97.284 -0.917 -16.788 217 HB THR 40 HB THR 40 97.120 -0.538 -19.226 218 HG1 THR 40 HG1 THR 40 97.780 -2.606 -18.254 219 1HG2 THR 40 1HG2 THR 40 100.025 0.105 -18.962 220 2HG2 THR 40 2HG2 THR 40 98.766 0.962 -19.853 221 3HG2 THR 40 3HG2 THR 40 99.374 -0.582 -20.450 222 H TYR 41 H TYR 41 98.837 0.604 -15.076 223 HA TYR 41 HA TYR 41 101.544 -0.488 -15.393 224 1HB TYR 41 1HB TYR 41 100.693 2.064 -14.695 225 2HB TYR 41 2HB TYR 41 101.179 1.347 -13.163 226 HD1 TYR 41 HD1 TYR 41 103.415 -0.398 -14.126 227 HD2 TYR 41 HD2 TYR 41 102.404 3.624 -15.077 228 HE1 TYR 41 HE1 TYR 41 105.771 0.062 -14.658 229 HE2 TYR 41 HE2 TYR 41 104.757 4.095 -15.613 230 HH TYR 41 HH TYR 41 106.928 2.028 -16.342 231 H LEU 42 H LEU 42 99.203 -1.994 -14.500 232 HA LEU 42 HA LEU 42 99.990 -2.613 -11.735 233 1HB LEU 42 1HB LEU 42 97.480 -2.134 -12.796 234 2HB LEU 42 2HB LEU 42 97.541 -3.881 -12.676 235 HG LEU 42 HG LEU 42 98.324 -2.218 -10.315 236 1HD1 LEU 42 1HD1 LEU 42 96.200 -1.719 -9.686 237 2HD1 LEU 42 2HD1 LEU 42 95.501 -3.085 -10.556 238 3HD1 LEU 42 3HD1 LEU 42 95.988 -1.637 -11.435 239 1HD2 LEU 42 1HD2 LEU 42 98.738 -4.435 -9.869 240 2HD2 LEU 42 2HD2 LEU 42 97.383 -4.998 -10.848 241 3HD2 LEU 42 3HD2 LEU 42 97.088 -4.270 -9.269 242 HA PRO 43 HA PRO 43 99.620 -6.937 -13.938 243 1HB PRO 43 1HB PRO 43 99.786 -6.214 -16.792 244 2HB PRO 43 2HB PRO 43 98.710 -7.356 -15.981 245 1HG PRO 43 1HG PRO 43 97.811 -5.014 -16.921 246 2HG PRO 43 2HG PRO 43 97.179 -5.719 -15.421 247 1HD PRO 43 1HD PRO 43 99.171 -3.512 -15.788 248 2HD PRO 43 2HD PRO 43 97.834 -3.640 -14.626 249 H ALA 44 H ALA 44 101.676 -4.316 -14.694 250 HA ALA 44 HA ALA 44 103.871 -6.197 -15.253 251 1HB ALA 44 1HB ALA 44 104.195 -3.430 -16.207 252 2HB ALA 44 2HB ALA 44 102.982 -4.400 -17.045 253 3HB ALA 44 3HB ALA 44 104.653 -4.957 -16.963 254 H VAL 45 H VAL 45 102.695 -4.345 -12.881 255 HA VAL 45 HA VAL 45 104.961 -2.822 -12.091 256 HB VAL 45 HB VAL 45 102.785 -2.245 -11.232 257 1HG1 VAL 45 1HG1 VAL 45 102.456 -4.994 -10.900 258 2HG1 VAL 45 2HG1 VAL 45 101.309 -3.726 -10.469 259 3HG1 VAL 45 3HG1 VAL 45 102.448 -4.330 -9.266 260 1HG2 VAL 45 1HG2 VAL 45 103.756 -3.008 -8.640 261 2HG2 VAL 45 2HG2 VAL 45 103.743 -1.419 -9.405 262 3HG2 VAL 45 3HG2 VAL 45 105.099 -2.515 -9.669 263 H ASP 46 H ASP 46 104.035 -6.136 -11.744 264 HA ASP 46 HA ASP 46 105.904 -6.699 -9.622 265 1HB ASP 46 1HB ASP 46 103.698 -7.934 -10.097 266 2HB ASP 46 2HB ASP 46 104.580 -8.753 -11.382 267 H GLU 47 H GLU 47 106.004 -6.487 -13.050 268 HA GLU 47 HA GLU 47 108.731 -7.576 -13.005 269 1HB GLU 47 1HB GLU 47 106.767 -9.030 -14.080 270 2HB GLU 47 2HB GLU 47 107.114 -8.002 -15.463 271 1HG GLU 47 1HG GLU 47 109.607 -8.732 -14.835 272 2HG GLU 47 2HG GLU 47 108.732 -10.137 -14.229 273 H LYS 48 H LYS 48 107.716 -4.817 -12.940 274 HA LYS 48 HA LYS 48 109.434 -3.750 -14.943 275 1HB LYS 48 1HB LYS 48 107.091 -4.263 -16.046 276 2HB LYS 48 2HB LYS 48 106.637 -2.754 -15.265 277 1HG LYS 48 1HG LYS 48 108.021 -1.490 -16.587 278 2HG LYS 48 2HG LYS 48 109.108 -2.838 -16.925 279 1HD LYS 48 1HD LYS 48 107.352 -3.869 -18.317 280 2HD LYS 48 2HD LYS 48 106.318 -2.471 -18.016 281 1HE LYS 48 1HE LYS 48 107.531 -1.106 -19.380 282 2HE LYS 48 2HE LYS 48 109.043 -1.959 -19.070 283 1HZ LYS 48 1HZ LYS 48 106.902 -2.620 -20.979 284 2HZ LYS 48 2HZ LYS 48 107.909 -3.846 -20.391 285 3HZ LYS 48 3HZ LYS 48 108.573 -2.538 -21.233 286 H LEU 49 H LEU 49 106.595 -2.734 -13.017 287 HA LEU 49 HA LEU 49 107.984 -0.297 -12.272 288 1HB LEU 49 1HB LEU 49 105.434 -0.620 -12.763 289 2HB LEU 49 2HB LEU 49 105.370 -1.158 -11.096 290 HG LEU 49 HG LEU 49 106.167 0.983 -10.312 291 1HD1 LEU 49 1HD1 LEU 49 107.598 2.025 -11.687 292 2HD1 LEU 49 2HD1 LEU 49 106.146 2.745 -12.381 293 3HD1 LEU 49 3HD1 LEU 49 106.874 1.327 -13.136 294 1HD2 LEU 49 1HD2 LEU 49 104.181 2.043 -10.516 295 2HD2 LEU 49 2HD2 LEU 49 103.704 0.518 -11.263 296 3HD2 LEU 49 3HD2 LEU 49 104.156 1.892 -12.273 297 H ARG 50 H ARG 50 109.299 -2.571 -11.458 298 HA ARG 50 HA ARG 50 109.820 -2.069 -8.768 299 1HB ARG 50 1HB ARG 50 107.492 -3.374 -8.847 300 2HB ARG 50 2HB ARG 50 108.567 -4.763 -8.929 301 1HG ARG 50 1HG ARG 50 108.841 -4.682 -6.738 302 2HG ARG 50 2HG ARG 50 109.527 -3.061 -6.879 303 1HD ARG 50 1HD ARG 50 106.863 -2.553 -7.131 304 2HD ARG 50 2HD ARG 50 106.855 -3.918 -6.017 305 HE ARG 50 HE ARG 50 108.721 -2.279 -4.955 306 1HH1 ARG 50 1HH1 ARG 50 105.426 -1.773 -5.989 307 2HH1 ARG 50 2HH1 ARG 50 105.125 -0.518 -4.834 308 1HH2 ARG 50 1HH2 ARG 50 108.327 -0.628 -3.436 309 2HH2 ARG 50 2HH2 ARG 50 106.771 0.132 -3.385 310 H ASP 51 H ASP 51 109.997 -4.179 -11.549 311 HA ASP 51 HA ASP 51 112.505 -5.315 -10.501 312 1HB ASP 51 1HB ASP 51 110.574 -6.857 -11.213 313 2HB ASP 51 2HB ASP 51 110.971 -6.389 -12.863 314 H LEU 52 H LEU 52 111.042 -3.526 -13.117 315 HA LEU 52 HA LEU 52 113.528 -3.489 -14.634 316 1HB LEU 52 1HB LEU 52 111.270 -3.703 -15.724 317 2HB LEU 52 2HB LEU 52 110.948 -2.050 -15.237 318 HG LEU 52 HG LEU 52 113.458 -2.346 -16.713 319 1HD1 LEU 52 1HD1 LEU 52 111.680 -4.053 -17.681 320 2HD1 LEU 52 2HD1 LEU 52 112.723 -3.094 -18.730 321 3HD1 LEU 52 3HD1 LEU 52 111.059 -2.587 -18.441 322 1HD2 LEU 52 1HD2 LEU 52 111.288 -0.656 -17.737 323 2HD2 LEU 52 2HD2 LEU 52 112.965 -0.256 -17.369 324 3HD2 LEU 52 3HD2 LEU 52 111.769 -0.319 -16.074 325 H TYR 53 H TYR 53 112.941 -2.119 -11.931 326 HA TYR 53 HA TYR 53 113.931 0.541 -12.697 327 1HB TYR 53 1HB TYR 53 111.569 -0.027 -11.358 328 2HB TYR 53 2HB TYR 53 112.686 0.435 -10.079 329 HD1 TYR 53 HD1 TYR 53 110.357 1.646 -12.384 330 HD2 TYR 53 HD2 TYR 53 114.114 2.616 -10.639 331 HE1 TYR 53 HE1 TYR 53 109.993 4.015 -12.932 332 HE2 TYR 53 HE2 TYR 53 113.761 4.989 -11.182 333 HH TYR 53 HH TYR 53 112.252 6.234 -13.100 334 H SER 54 H SER 54 113.855 -1.851 -10.084 335 HA SER 54 HA SER 54 115.286 -2.189 -8.328 336 1HB SER 54 1HB SER 54 117.085 -2.133 -10.750 337 2HB SER 54 2HB SER 54 117.683 -2.579 -9.153 338 HG SER 54 HG SER 54 116.906 -4.482 -9.519 339 H LYS 55 H LYS 55 114.592 0.480 -8.669 340 HA LYS 55 HA LYS 55 116.528 1.749 -7.026 341 1HB LYS 55 1HB LYS 55 117.219 1.914 -9.643 342 2HB LYS 55 2HB LYS 55 116.191 3.335 -9.503 343 1HG LYS 55 1HG LYS 55 117.700 4.463 -8.297 344 2HG LYS 55 2HG LYS 55 118.145 3.046 -7.343 345 1HD LYS 55 1HD LYS 55 119.906 2.590 -8.651 346 2HD LYS 55 2HD LYS 55 118.986 2.865 -10.132 347 1HE LYS 55 1HE LYS 55 119.721 5.234 -8.501 348 2HE LYS 55 2HE LYS 55 121.008 4.429 -9.398 349 1HZ LYS 55 1HZ LYS 55 119.722 6.307 -10.535 350 2HZ LYS 55 2HZ LYS 55 118.480 5.175 -10.725 351 3HZ LYS 55 3HZ LYS 55 119.997 4.889 -11.417 352 H SER 56 H SER 56 113.559 1.694 -8.824 353 HA SER 56 HA SER 56 112.471 4.186 -8.273 354 1HB SER 56 1HB SER 56 110.251 2.787 -8.025 355 2HB SER 56 2HB SER 56 111.069 2.876 -9.583 356 HG SER 56 HG SER 56 110.405 0.715 -8.654 357 H THR 57 H THR 57 112.357 1.268 -6.275 358 HA THR 57 HA THR 57 112.025 2.976 -3.915 359 HB THR 57 HB THR 57 109.907 1.830 -4.555 360 HG1 THR 57 HG1 THR 57 110.977 0.908 -2.103 361 1HG2 THR 57 1HG2 THR 57 110.396 -0.722 -3.459 362 2HG2 THR 57 2HG2 THR 57 111.565 -0.457 -4.753 363 3HG2 THR 57 3HG2 THR 57 109.838 -0.309 -5.080 364 H ALA 58 H ALA 58 114.265 1.441 -5.324 365 HA ALA 58 HA ALA 58 115.078 -0.617 -3.529 366 1HB ALA 58 1HB ALA 58 117.065 0.875 -5.179 367 2HB ALA 58 2HB ALA 58 115.830 -0.083 -5.997 368 3HB ALA 58 3HB ALA 58 116.935 -0.856 -4.861 369 H ALA 59 H ALA 59 115.867 2.796 -3.940 370 HA ALA 59 HA ALA 59 117.746 2.908 -1.804 371 1HB ALA 59 1HB ALA 59 118.026 4.615 -3.345 372 2HB ALA 59 2HB ALA 59 117.215 5.439 -2.013 373 3HB ALA 59 3HB ALA 59 116.297 4.952 -3.438 374 H MET 60 H MET 60 114.284 3.056 -2.008 375 HA MET 60 HA MET 60 113.915 4.318 0.553 376 1HB MET 60 1HB MET 60 112.322 4.108 -1.594 377 2HB MET 60 2HB MET 60 111.724 2.734 -0.675 378 1HG MET 60 1HG MET 60 112.026 5.234 0.842 379 2HG MET 60 2HG MET 60 110.801 5.253 -0.427 380 1HE MET 60 1HE MET 60 107.928 4.218 1.623 381 2HE MET 60 2HE MET 60 108.419 4.402 -0.061 382 3HE MET 60 3HE MET 60 108.833 5.645 1.119 383 H SER 61 H SER 61 114.500 1.124 -0.554 384 HA SER 61 HA SER 61 114.128 0.126 2.171 385 1HB SER 61 1HB SER 61 112.270 -0.453 0.248 386 2HB SER 61 2HB SER 61 113.376 -1.817 0.090 387 HG SER 61 HG SER 61 112.675 -2.566 1.921 388 H THR 62 H THR 62 116.541 0.797 1.368 389 HA THR 62 HA THR 62 117.847 -1.593 0.297 390 HB THR 62 HB THR 62 119.668 0.559 0.824 391 HG1 THR 62 HG1 THR 62 118.586 2.225 0.207 392 1HG2 THR 62 1HG2 THR 62 119.637 0.527 -1.803 393 2HG2 THR 62 2HG2 THR 62 118.777 -0.990 -1.540 394 3HG2 THR 62 3HG2 THR 62 120.394 -0.764 -0.872 395 H TYR 63 H TYR 63 117.240 0.018 3.220 396 HA TYR 63 HA TYR 63 119.453 -0.323 4.773 397 1HB TYR 63 1HB TYR 63 116.544 -0.353 5.284 398 2HB TYR 63 2HB TYR 63 117.552 -1.071 6.531 399 HD1 TYR 63 HD1 TYR 63 118.703 0.283 8.068 400 HD2 TYR 63 HD2 TYR 63 117.051 2.035 4.562 401 HE1 TYR 63 HE1 TYR 63 119.205 2.520 8.958 402 HE2 TYR 63 HE2 TYR 63 117.548 4.277 5.440 403 HH TYR 63 HH TYR 63 117.925 5.119 8.228 404 H THR 64 H THR 64 117.365 -2.772 3.471 405 HA THR 64 HA THR 64 117.845 -4.942 5.098 406 HB THR 64 HB THR 64 117.740 -4.938 2.073 407 HG1 THR 64 HG1 THR 64 115.544 -5.220 2.356 408 1HG2 THR 64 1HG2 THR 64 117.764 -7.145 2.080 409 2HG2 THR 64 2HG2 THR 64 116.515 -7.205 3.324 410 3HG2 THR 64 3HG2 THR 64 118.214 -7.091 3.784 411 H GLY 65 H GLY 65 120.016 -3.302 2.932 412 1HA GLY 65 1HA GLY 65 122.071 -5.360 3.431 413 2HA GLY 65 2HA GLY 65 122.075 -4.253 2.067 414 H ILE 66 H ILE 66 121.113 -2.276 4.406 415 HA ILE 66 HA ILE 66 123.855 -1.434 5.005 416 HB ILE 66 HB ILE 66 121.392 0.201 5.522 417 1HG1 ILE 66 1HG1 ILE 66 122.986 0.190 2.951 418 2HG1 ILE 66 2HG1 ILE 66 121.410 -0.573 3.141 419 1HG2 ILE 66 1HG2 ILE 66 122.840 2.044 5.555 420 2HG2 ILE 66 2HG2 ILE 66 124.136 1.148 4.764 421 3HG2 ILE 66 3HG2 ILE 66 123.703 0.782 6.434 422 1HD1 ILE 66 1HD1 ILE 66 121.619 1.815 2.126 423 2HD1 ILE 66 2HD1 ILE 66 121.719 2.309 3.815 424 3HD1 ILE 66 3HD1 ILE 66 120.304 1.430 3.236 425 H PHE 67 H PHE 67 121.154 -2.912 6.455 426 HA PHE 67 HA PHE 67 120.951 -2.021 9.001 427 1HB PHE 67 1HB PHE 67 120.422 -4.473 7.654 428 2HB PHE 67 2HB PHE 67 121.173 -4.861 9.198 429 HD1 PHE 67 HD1 PHE 67 118.287 -3.299 7.564 430 HD2 PHE 67 HD2 PHE 67 120.050 -4.429 11.269 431 HE1 PHE 67 HE1 PHE 67 116.131 -2.939 8.695 432 HE2 PHE 67 HE2 PHE 67 117.898 -4.071 12.407 433 HZ PHE 67 HZ PHE 67 115.935 -3.326 11.120 434 H THR 68 H THR 68 123.670 -3.730 7.626 435 HA THR 68 HA THR 68 125.016 -3.745 10.233 436 HB THR 68 HB THR 68 126.132 -5.006 7.747 437 HG1 THR 68 HG1 THR 68 124.633 -6.448 7.747 438 1HG2 THR 68 1HG2 THR 68 127.711 -5.449 9.273 439 2HG2 THR 68 2HG2 THR 68 126.601 -6.730 9.758 440 3HG2 THR 68 3HG2 THR 68 126.618 -5.200 10.634 441 H ASP 69 H ASP 69 125.060 -2.302 7.078 442 HA ASP 69 HA ASP 69 127.711 -1.264 7.196 443 1HB ASP 69 1HB ASP 69 125.905 -1.500 5.204 444 2HB ASP 69 2HB ASP 69 125.668 0.196 5.617 445 H GLN 70 H GLN 70 124.537 -0.077 8.141 446 HA GLN 70 HA GLN 70 125.306 2.579 8.721 447 1HB GLN 70 1HB GLN 70 122.932 1.366 8.559 448 2HB GLN 70 2HB GLN 70 123.136 1.298 10.304 449 1HG GLN 70 1HG GLN 70 121.871 3.257 9.663 450 2HG GLN 70 2HG GLN 70 123.419 3.720 10.370 451 1HE2 GLN 70 1HE2 GLN 70 123.362 5.735 9.378 452 2HE2 GLN 70 2HE2 GLN 70 123.646 5.936 7.685 453 H VAL 71 H VAL 71 125.526 -0.417 10.492 454 HA VAL 71 HA VAL 71 126.137 0.857 13.008 455 HB VAL 71 HB VAL 71 126.340 -2.032 12.159 456 1HG1 VAL 71 1HG1 VAL 71 126.772 -0.673 14.796 457 2HG1 VAL 71 2HG1 VAL 71 127.772 -1.881 13.990 458 3HG1 VAL 71 3HG1 VAL 71 126.237 -2.352 14.717 459 1HG2 VAL 71 1HG2 VAL 71 124.279 -1.047 14.054 460 2HG2 VAL 71 2HG2 VAL 71 124.206 -2.365 12.885 461 3HG2 VAL 71 3HG2 VAL 71 124.062 -0.693 12.340 462 H LEU 72 H LEU 72 127.896 -0.934 10.508 463 HA LEU 72 HA LEU 72 130.410 -0.939 11.746 464 1HB LEU 72 1HB LEU 72 129.374 -1.349 9.012 465 2HB LEU 72 2HB LEU 72 131.059 -0.878 9.115 466 HG LEU 72 HG LEU 72 131.190 -2.831 10.870 467 1HD1 LEU 72 1HD1 LEU 72 128.935 -3.809 9.137 468 2HD1 LEU 72 2HD1 LEU 72 128.696 -3.167 10.762 469 3HD1 LEU 72 3HD1 LEU 72 129.675 -4.615 10.520 470 1HD2 LEU 72 1HD2 LEU 72 132.234 -2.576 8.537 471 2HD2 LEU 72 2HD2 LEU 72 130.922 -3.620 7.990 472 3HD2 LEU 72 3HD2 LEU 72 132.065 -4.201 9.200 473 H SER 73 H SER 73 128.704 1.534 9.993 474 HA SER 73 HA SER 73 131.006 3.199 9.568 475 1HB SER 73 1HB SER 73 129.027 4.931 9.192 476 2HB SER 73 2HB SER 73 129.407 3.699 7.989 477 HG SER 73 HG SER 73 127.150 3.837 8.542 478 H VAL 74 H VAL 74 128.714 2.705 12.110 479 HA VAL 74 HA VAL 74 128.832 5.168 13.415 480 HB VAL 74 HB VAL 74 128.434 2.395 14.522 481 1HG1 VAL 74 1HG1 VAL 74 127.395 3.734 16.475 482 2HG1 VAL 74 2HG1 VAL 74 128.412 5.057 15.904 483 3HG1 VAL 74 3HG1 VAL 74 129.147 3.539 16.423 484 1HG2 VAL 74 1HG2 VAL 74 126.529 2.754 13.364 485 2HG2 VAL 74 2HG2 VAL 74 126.726 4.506 13.376 486 3HG2 VAL 74 3HG2 VAL 74 126.089 3.681 14.799 487 H LEU 75 H LEU 75 131.098 2.551 13.273 488 HA LEU 75 HA LEU 75 132.765 3.784 15.334 489 1HB LEU 75 1HB LEU 75 133.404 1.286 13.781 490 2HB LEU 75 2HB LEU 75 134.049 1.795 15.331 491 HG LEU 75 HG LEU 75 131.125 1.304 15.191 492 1HD1 LEU 75 1HD1 LEU 75 132.470 -0.557 13.939 493 2HD1 LEU 75 2HD1 LEU 75 131.213 -0.987 15.101 494 3HD1 LEU 75 3HD1 LEU 75 132.911 -1.051 15.573 495 1HD2 LEU 75 1HD2 LEU 75 133.151 0.444 17.240 496 2HD2 LEU 75 2HD2 LEU 75 131.408 0.635 17.436 497 3HD2 LEU 75 3HD2 LEU 75 132.433 2.055 17.224 498 H LYS 76 H LYS 76 132.217 4.928 12.601 499 HA LYS 76 HA LYS 76 134.524 6.190 12.036 500 1HB LYS 76 1HB LYS 76 135.341 4.859 9.973 501 2HB LYS 76 2HB LYS 76 135.836 4.306 11.566 502 1HG LYS 76 1HG LYS 76 134.674 2.384 11.408 503 2HG LYS 76 2HG LYS 76 133.341 3.138 10.529 504 1HD LYS 76 1HD LYS 76 136.030 2.628 9.278 505 2HD LYS 76 2HD LYS 76 134.726 1.440 9.248 506 1HE LYS 76 1HE LYS 76 133.341 2.839 7.960 507 2HE LYS 76 2HE LYS 76 134.339 4.257 8.280 508 1HZ LYS 76 1HZ LYS 76 135.055 1.921 6.592 509 2HZ LYS 76 2HZ LYS 76 136.126 3.168 6.992 510 3HZ LYS 76 3HZ LYS 76 134.751 3.502 6.067 511 H GLY 77 H GLY 77 133.071 7.700 11.509 512 1HA GLY 77 1HA GLY 77 132.325 8.867 9.489 513 2HA GLY 77 2HA GLY 77 131.671 7.323 8.940 514 H GLU 78 H GLU 78 131.075 7.008 12.002 515 HA GLU 78 HA GLU 78 128.904 8.839 12.348 516 1HB GLU 78 1HB GLU 78 128.433 6.321 11.114 517 2HB GLU 78 2HB GLU 78 127.686 6.307 12.702 518 1HG GLU 78 1HG GLU 78 127.222 8.707 11.054 519 2HG GLU 78 2HG GLU 78 126.460 7.212 10.514 520 H GLU 79 H GLU 79 131.240 8.365 13.812 521 HA GLU 79 HA GLU 79 130.299 6.967 16.215 522 1HB GLU 79 1HB GLU 79 132.663 6.694 14.993 523 2HB GLU 79 2HB GLU 79 133.066 8.043 16.048 524 1HG GLU 79 1HG GLU 79 132.347 6.723 17.987 525 2HG GLU 79 2HG GLU 79 131.994 5.367 16.916 Start of MODEL 13 1 H THR 13 H THR 13 84.789 -1.098 16.607 2 HA THR 13 HA THR 13 85.992 0.746 17.562 3 HB THR 13 HB THR 13 87.816 0.689 15.873 4 HG1 THR 13 HG1 THR 13 85.942 -0.729 14.290 5 1HG2 THR 13 1HG2 THR 13 88.227 -1.652 15.868 6 2HG2 THR 13 2HG2 THR 13 86.516 -2.009 16.110 7 3HG2 THR 13 3HG2 THR 13 87.448 -1.242 17.396 8 H PHE 14 H PHE 14 86.533 2.864 17.570 9 HA PHE 14 HA PHE 14 85.250 4.559 15.534 10 1HB PHE 14 1HB PHE 14 85.016 4.653 18.287 11 2HB PHE 14 2HB PHE 14 86.198 5.913 17.951 12 HD1 PHE 14 HD1 PHE 14 82.790 5.202 18.239 13 HD2 PHE 14 HD2 PHE 14 85.538 7.517 15.958 14 HE1 PHE 14 HE1 PHE 14 80.969 6.729 17.602 15 HE2 PHE 14 HE2 PHE 14 83.722 9.049 15.318 16 HZ PHE 14 HZ PHE 14 81.434 8.657 16.140 17 H LEU 15 H LEU 15 88.212 3.971 17.328 18 HA LEU 15 HA LEU 15 89.650 6.065 15.943 19 1HB LEU 15 1HB LEU 15 91.616 5.153 17.190 20 2HB LEU 15 2HB LEU 15 90.293 5.695 18.205 21 HG LEU 15 HG LEU 15 90.261 2.824 17.512 22 1HD1 LEU 15 1HD1 LEU 15 92.559 4.114 18.845 23 2HD1 LEU 15 2HD1 LEU 15 92.471 2.606 17.935 24 3HD1 LEU 15 3HD1 LEU 15 91.915 2.661 19.609 25 1HD2 LEU 15 1HD2 LEU 15 88.682 3.146 19.076 26 2HD2 LEU 15 2HD2 LEU 15 89.429 4.627 19.674 27 3HD2 LEU 15 3HD2 LEU 15 90.033 3.058 20.207 28 H THR 16 H THR 16 89.112 2.642 15.671 29 HA THR 16 HA THR 16 91.320 2.121 13.924 30 HB THR 16 HB THR 16 88.819 0.455 14.135 31 HG1 THR 16 HG1 THR 16 91.034 0.465 15.905 32 1HG2 THR 16 1HG2 THR 16 90.321 -0.396 12.504 33 2HG2 THR 16 2HG2 THR 16 90.455 -1.412 13.939 34 3HG2 THR 16 3HG2 THR 16 91.697 -0.210 13.590 35 H GLN 17 H GLN 17 88.042 3.223 13.529 36 HA GLN 17 HA GLN 17 87.723 2.596 10.804 37 1HB GLN 17 1HB GLN 17 85.718 3.603 11.022 38 2HB GLN 17 2HB GLN 17 86.120 3.688 12.730 39 1HG GLN 17 1HG GLN 17 86.737 5.939 12.591 40 2HG GLN 17 2HG GLN 17 86.856 5.888 10.831 41 1HE2 GLN 17 1HE2 GLN 17 85.381 7.295 10.152 42 2HE2 GLN 17 2HE2 GLN 17 83.711 7.290 10.595 43 H VAL 18 H VAL 18 88.810 5.600 12.390 44 HA VAL 18 HA VAL 18 89.379 6.989 10.002 45 HB VAL 18 HB VAL 18 91.040 7.512 12.424 46 1HG1 VAL 18 1HG1 VAL 18 91.290 8.894 10.434 47 2HG1 VAL 18 2HG1 VAL 18 90.659 9.835 11.783 48 3HG1 VAL 18 3HG1 VAL 18 89.577 9.306 10.495 49 1HG2 VAL 18 1HG2 VAL 18 88.965 8.976 13.139 50 2HG2 VAL 18 2HG2 VAL 18 89.119 7.300 13.662 51 3HG2 VAL 18 3HG2 VAL 18 88.069 7.706 12.305 52 H LYS 19 H LYS 19 91.210 4.758 11.986 53 HA LYS 19 HA LYS 19 93.751 5.134 10.919 54 1HB LYS 19 1HB LYS 19 92.609 3.390 12.730 55 2HB LYS 19 2HB LYS 19 93.084 2.323 11.416 56 1HG LYS 19 1HG LYS 19 95.043 2.271 12.501 57 2HG LYS 19 2HG LYS 19 95.324 3.807 11.677 58 1HD LYS 19 1HD LYS 19 94.115 4.816 13.760 59 2HD LYS 19 2HD LYS 19 94.561 3.287 14.520 60 1HE LYS 19 1HE LYS 19 96.791 3.760 14.483 61 2HE LYS 19 2HE LYS 19 96.669 4.744 13.025 62 1HZ LYS 19 1HZ LYS 19 95.337 5.793 15.385 63 2HZ LYS 19 2HZ LYS 19 96.246 6.597 14.206 64 3HZ LYS 19 3HZ LYS 19 97.029 5.759 15.450 65 H GLU 20 H GLU 20 90.911 3.695 9.564 66 HA GLU 20 HA GLU 20 92.327 2.323 7.447 67 1HB GLU 20 1HB GLU 20 89.514 2.634 8.294 68 2HB GLU 20 2HB GLU 20 89.762 2.450 6.565 69 1HG GLU 20 1HG GLU 20 89.343 0.308 7.605 70 2HG GLU 20 2HG GLU 20 90.982 0.374 6.954 71 H SER 21 H SER 21 91.068 5.465 8.050 72 HA SER 21 HA SER 21 91.120 6.223 5.238 73 1HB SER 21 1HB SER 21 89.712 7.107 7.565 74 2HB SER 21 2HB SER 21 90.630 8.456 6.907 75 HG SER 21 HG SER 21 88.795 6.815 5.494 76 H LEU 22 H LEU 22 92.556 7.322 8.338 77 HA LEU 22 HA LEU 22 94.336 9.164 7.201 78 1HB LEU 22 1HB LEU 22 95.503 9.141 9.287 79 2HB LEU 22 2HB LEU 22 93.787 9.009 9.619 80 HG LEU 22 HG LEU 22 94.372 6.411 9.626 81 1HD1 LEU 22 1HD1 LEU 22 96.509 5.837 10.021 82 2HD1 LEU 22 2HD1 LEU 22 96.828 7.279 10.984 83 3HD1 LEU 22 3HD1 LEU 22 96.867 7.369 9.223 84 1HD2 LEU 22 1HD2 LEU 22 94.706 8.419 11.839 85 2HD2 LEU 22 2HD2 LEU 22 94.776 6.679 12.117 86 3HD2 LEU 22 3HD2 LEU 22 93.306 7.410 11.475 87 H SER 23 H SER 23 94.334 5.756 7.206 88 HA SER 23 HA SER 23 97.171 5.606 6.495 89 1HB SER 23 1HB SER 23 96.230 4.011 8.189 90 2HB SER 23 2HB SER 23 95.220 3.330 6.914 91 HG SER 23 HG SER 23 97.049 2.094 7.010 92 H SER 24 H SER 24 94.052 5.671 5.081 93 HA SER 24 HA SER 24 94.474 4.088 2.803 94 1HB SER 24 1HB SER 24 92.508 5.027 1.940 95 2HB SER 24 2HB SER 24 92.290 5.183 3.682 96 HG SER 24 HG SER 24 91.886 7.102 2.268 97 H TYR 25 H TYR 25 95.795 7.105 3.680 98 HA TYR 25 HA TYR 25 96.535 7.732 0.920 99 1HB TYR 25 1HB TYR 25 96.765 9.314 3.488 100 2HB TYR 25 2HB TYR 25 97.456 9.850 1.960 101 HD1 TYR 25 HD1 TYR 25 94.605 9.949 4.039 102 HD2 TYR 25 HD2 TYR 25 95.783 9.988 -0.048 103 HE1 TYR 25 HE1 TYR 25 92.453 10.973 3.435 104 HE2 TYR 25 HE2 TYR 25 93.634 11.014 -0.664 105 HH TYR 25 HH TYR 25 91.000 11.001 1.161 106 H TRP 26 H TRP 26 97.697 6.203 3.694 107 HA TRP 26 HA TRP 26 100.507 6.635 3.040 108 1HB TRP 26 1HB TRP 26 99.821 6.618 5.419 109 2HB TRP 26 2HB TRP 26 99.241 4.966 5.231 110 HD1 TRP 26 HD1 TRP 26 101.148 3.051 4.837 111 HE1 TRP 26 HE1 TRP 26 103.603 2.970 5.592 112 HE3 TRP 26 HE3 TRP 26 101.848 8.013 5.851 113 HZ2 TRP 26 HZ2 TRP 26 105.580 4.771 6.500 114 HZ3 TRP 26 HZ3 TRP 26 104.050 8.751 6.660 115 HH2 TRP 26 HH2 TRP 26 105.877 7.161 6.978 116 H GLU 27 H GLU 27 97.941 4.367 2.637 117 HA GLU 27 HA GLU 27 99.695 2.198 1.845 118 1HB GLU 27 1HB GLU 27 97.261 2.158 2.968 119 2HB GLU 27 2HB GLU 27 96.780 2.092 1.278 120 1HG GLU 27 1HG GLU 27 97.965 0.071 0.928 121 2HG GLU 27 2HG GLU 27 98.771 0.198 2.492 122 H SER 28 H SER 28 98.100 4.865 0.408 123 HA SER 28 HA SER 28 98.014 3.772 -2.254 124 1HB SER 28 1HB SER 28 96.534 5.652 -1.189 125 2HB SER 28 2HB SER 28 97.869 6.703 -1.646 126 HG SER 28 HG SER 28 95.929 5.977 -3.180 127 H ALA 29 H ALA 29 99.983 6.100 -0.487 128 HA ALA 29 HA ALA 29 101.686 6.934 -2.502 129 1HB ALA 29 1HB ALA 29 103.169 7.647 -0.831 130 2HB ALA 29 2HB ALA 29 102.690 6.357 0.271 131 3HB ALA 29 3HB ALA 29 101.585 7.692 -0.057 132 H LYS 30 H LYS 30 101.559 3.904 -0.800 133 HA LYS 30 HA LYS 30 104.088 2.986 -1.897 134 1HB LYS 30 1HB LYS 30 102.017 1.708 -0.113 135 2HB LYS 30 2HB LYS 30 103.393 0.817 -0.750 136 1HG LYS 30 1HG LYS 30 103.493 3.230 1.047 137 2HG LYS 30 2HG LYS 30 103.863 1.562 1.491 138 1HD LYS 30 1HD LYS 30 105.671 1.628 -0.276 139 2HD LYS 30 2HD LYS 30 105.391 3.368 -0.372 140 1HE LYS 30 1HE LYS 30 105.652 3.065 2.296 141 2HE LYS 30 2HE LYS 30 106.701 1.767 1.728 142 1HZ LYS 30 1HZ LYS 30 106.909 4.561 0.763 143 2HZ LYS 30 2HZ LYS 30 108.010 3.301 0.518 144 3HZ LYS 30 3HZ LYS 30 107.810 3.960 2.063 145 H THR 31 H THR 31 100.669 2.763 -2.524 146 HA THR 31 HA THR 31 100.760 0.504 -4.245 147 HB THR 31 HB THR 31 98.749 2.761 -4.130 148 HG1 THR 31 HG1 THR 31 98.513 1.840 -2.227 149 1HG2 THR 31 1HG2 THR 31 98.545 1.453 -6.189 150 2HG2 THR 31 2HG2 THR 31 97.169 1.225 -5.108 151 3HG2 THR 31 3HG2 THR 31 98.414 -0.019 -5.227 152 H ALA 32 H ALA 32 101.324 3.923 -4.677 153 HA ALA 32 HA ALA 32 101.442 3.611 -7.583 154 1HB ALA 32 1HB ALA 32 102.054 6.222 -6.329 155 2HB ALA 32 2HB ALA 32 100.405 5.618 -6.164 156 3HB ALA 32 3HB ALA 32 101.103 5.846 -7.767 157 H ALA 33 H ALA 33 103.488 2.896 -5.231 158 HA ALA 33 HA ALA 33 105.854 4.182 -6.365 159 1HB ALA 33 1HB ALA 33 106.216 4.249 -4.130 160 2HB ALA 33 2HB ALA 33 106.860 2.633 -4.417 161 3HB ALA 33 3HB ALA 33 105.214 2.832 -3.815 162 H GLN 34 H GLN 34 104.680 0.905 -5.613 163 HA GLN 34 HA GLN 34 106.759 -0.477 -6.889 164 1HB GLN 34 1HB GLN 34 104.528 -1.177 -5.427 165 2HB GLN 34 2HB GLN 34 104.157 -1.811 -7.025 166 1HG GLN 34 1HG GLN 34 105.222 -3.589 -6.039 167 2HG GLN 34 2HG GLN 34 106.546 -2.809 -6.904 168 1HE2 GLN 34 1HE2 GLN 34 104.927 -2.259 -3.792 169 2HE2 GLN 34 2HE2 GLN 34 106.373 -2.252 -2.848 170 H ASN 35 H ASN 35 104.097 1.267 -8.160 171 HA ASN 35 HA ASN 35 103.919 -0.094 -10.670 172 1HB ASN 35 1HB ASN 35 102.212 1.495 -9.432 173 2HB ASN 35 2HB ASN 35 103.065 2.749 -10.319 174 1HD2 ASN 35 1HD2 ASN 35 102.297 3.221 -12.242 175 2HD2 ASN 35 2HD2 ASN 35 101.330 2.191 -13.234 176 H LEU 36 H LEU 36 105.033 3.189 -9.844 177 HA LEU 36 HA LEU 36 106.280 3.680 -12.311 178 1HB LEU 36 1HB LEU 36 107.363 5.558 -11.212 179 2HB LEU 36 2HB LEU 36 105.672 5.462 -10.757 180 HG LEU 36 HG LEU 36 106.787 4.073 -8.721 181 1HD1 LEU 36 1HD1 LEU 36 108.834 6.064 -9.660 182 2HD1 LEU 36 2HD1 LEU 36 109.055 4.348 -9.319 183 3HD1 LEU 36 3HD1 LEU 36 108.757 5.479 -7.999 184 1HD2 LEU 36 1HD2 LEU 36 105.253 6.167 -8.844 185 2HD2 LEU 36 2HD2 LEU 36 106.752 7.057 -8.575 186 3HD2 LEU 36 3HD2 LEU 36 106.208 5.868 -7.390 187 H TYR 37 H TYR 37 107.524 2.322 -9.294 188 HA TYR 37 HA TYR 37 110.239 2.242 -10.140 189 1HB TYR 37 1HB TYR 37 108.677 1.115 -7.871 190 2HB TYR 37 2HB TYR 37 110.226 0.366 -8.240 191 HD1 TYR 37 HD1 TYR 37 112.305 1.579 -7.913 192 HD2 TYR 37 HD2 TYR 37 108.561 3.397 -7.035 193 HE1 TYR 37 HE1 TYR 37 113.465 3.351 -6.666 194 HE2 TYR 37 HE2 TYR 37 109.710 5.176 -5.786 195 HH TYR 37 HH TYR 37 113.057 5.675 -5.959 196 H GLU 38 H GLU 38 107.550 0.429 -11.046 197 HA GLU 38 HA GLU 38 108.981 -2.026 -11.580 198 1HB GLU 38 1HB GLU 38 106.196 -1.137 -11.594 199 2HB GLU 38 2HB GLU 38 106.585 -2.185 -12.949 200 1HG GLU 38 1HG GLU 38 107.236 -3.950 -11.524 201 2HG GLU 38 2HG GLU 38 107.243 -2.898 -10.109 202 H LYS 39 H LYS 39 108.073 0.877 -13.265 203 HA LYS 39 HA LYS 39 109.028 -0.273 -15.797 204 1HB LYS 39 1HB LYS 39 107.891 1.574 -16.908 205 2HB LYS 39 2HB LYS 39 106.774 0.708 -15.862 206 1HG LYS 39 1HG LYS 39 106.529 2.458 -14.436 207 2HG LYS 39 2HG LYS 39 108.161 3.065 -14.724 208 1HD LYS 39 1HD LYS 39 106.038 3.177 -16.844 209 2HD LYS 39 2HD LYS 39 106.201 4.445 -15.627 210 1HE LYS 39 1HE LYS 39 108.656 3.621 -17.068 211 2HE LYS 39 2HE LYS 39 107.453 4.531 -17.982 212 1HZ LYS 39 1HZ LYS 39 108.630 6.242 -17.116 213 2HZ LYS 39 2HZ LYS 39 109.121 5.383 -15.744 214 3HZ LYS 39 3HZ LYS 39 107.558 6.025 -15.825 215 H THR 40 H THR 40 110.696 0.706 -13.526 216 HA THR 40 HA THR 40 112.486 2.324 -15.117 217 HB THR 40 HB THR 40 112.744 4.025 -13.276 218 HG1 THR 40 HG1 THR 40 110.354 2.790 -12.389 219 1HG2 THR 40 1HG2 THR 40 111.164 5.450 -14.097 220 2HG2 THR 40 2HG2 THR 40 109.925 4.199 -14.195 221 3HG2 THR 40 3HG2 THR 40 111.222 4.251 -15.389 222 H TYR 41 H TYR 41 111.825 0.867 -11.974 223 HA TYR 41 HA TYR 41 114.690 0.463 -11.543 224 1HB TYR 41 1HB TYR 41 113.103 1.381 -9.748 225 2HB TYR 41 2HB TYR 41 112.495 -0.266 -9.618 226 HD1 TYR 41 HD1 TYR 41 113.673 -1.903 -8.387 227 HD2 TYR 41 HD2 TYR 41 115.531 1.827 -9.251 228 HE1 TYR 41 HE1 TYR 41 115.498 -2.458 -6.834 229 HE2 TYR 41 HE2 TYR 41 117.360 1.280 -7.702 230 HH TYR 41 HH TYR 41 117.204 -1.371 -5.532 231 H LEU 42 H LEU 42 113.270 -1.042 -13.567 232 HA LEU 42 HA LEU 42 112.968 -3.714 -12.484 233 1HB LEU 42 1HB LEU 42 111.993 -2.344 -14.745 234 2HB LEU 42 2HB LEU 42 113.009 -3.633 -15.362 235 HG LEU 42 HG LEU 42 110.590 -4.223 -15.142 236 1HD1 LEU 42 1HD1 LEU 42 112.315 -5.941 -15.230 237 2HD1 LEU 42 2HD1 LEU 42 110.997 -6.422 -14.163 238 3HD1 LEU 42 3HD1 LEU 42 112.516 -5.842 -13.482 239 1HD2 LEU 42 1HD2 LEU 42 109.460 -4.103 -13.212 240 2HD2 LEU 42 2HD2 LEU 42 110.738 -2.995 -12.715 241 3HD2 LEU 42 3HD2 LEU 42 110.821 -4.697 -12.262 242 HA PRO 43 HA PRO 43 116.891 -4.507 -15.045 243 1HB PRO 43 1HB PRO 43 117.906 -2.677 -16.691 244 2HB PRO 43 2HB PRO 43 116.460 -3.591 -17.139 245 1HG PRO 43 1HG PRO 43 116.689 -0.796 -16.104 246 2HG PRO 43 2HG PRO 43 115.629 -1.438 -17.370 247 1HD PRO 43 1HD PRO 43 114.882 -0.988 -14.732 248 2HD PRO 43 2HD PRO 43 114.039 -2.058 -15.866 249 H ALA 44 H ALA 44 117.045 -3.613 -12.502 250 HA ALA 44 HA ALA 44 119.678 -3.099 -12.020 251 1HB ALA 44 1HB ALA 44 119.823 -0.974 -12.866 252 2HB ALA 44 2HB ALA 44 119.323 -0.599 -11.217 253 3HB ALA 44 3HB ALA 44 118.135 -0.600 -12.520 254 H VAL 45 H VAL 45 117.622 -4.597 -10.945 255 HA VAL 45 HA VAL 45 116.884 -3.402 -8.421 256 HB VAL 45 HB VAL 45 116.433 -6.282 -8.905 257 1HG1 VAL 45 1HG1 VAL 45 115.646 -5.250 -6.859 258 2HG1 VAL 45 2HG1 VAL 45 114.273 -5.756 -7.843 259 3HG1 VAL 45 3HG1 VAL 45 114.737 -4.056 -7.784 260 1HG2 VAL 45 1HG2 VAL 45 115.396 -4.150 -10.664 261 2HG2 VAL 45 2HG2 VAL 45 114.218 -5.334 -10.097 262 3HG2 VAL 45 3HG2 VAL 45 115.644 -5.867 -10.984 263 H ASP 46 H ASP 46 119.598 -3.600 -8.968 264 HA ASP 46 HA ASP 46 121.535 -4.145 -7.877 265 1HB ASP 46 1HB ASP 46 119.690 -4.399 -5.861 266 2HB ASP 46 2HB ASP 46 120.328 -6.037 -5.951 267 H GLU 47 H GLU 47 120.267 -5.486 -10.039 268 HA GLU 47 HA GLU 47 121.039 -7.161 -11.433 269 1HB GLU 47 1HB GLU 47 122.859 -7.607 -9.617 270 2HB GLU 47 2HB GLU 47 121.779 -8.890 -9.090 271 1HG GLU 47 1HG GLU 47 121.859 -9.481 -11.680 272 2HG GLU 47 2HG GLU 47 123.421 -8.674 -11.539 273 H LYS 48 H LYS 48 118.460 -6.677 -9.988 274 HA LYS 48 HA LYS 48 116.383 -7.662 -10.179 275 1HB LYS 48 1HB LYS 48 117.804 -9.220 -11.903 276 2HB LYS 48 2HB LYS 48 117.323 -10.408 -10.701 277 1HG LYS 48 1HG LYS 48 115.065 -10.129 -11.142 278 2HG LYS 48 2HG LYS 48 115.306 -8.547 -11.886 279 1HD LYS 48 1HD LYS 48 116.794 -10.124 -13.518 280 2HD LYS 48 2HD LYS 48 115.510 -11.240 -13.050 281 1HE LYS 48 1HE LYS 48 113.872 -9.995 -14.061 282 2HE LYS 48 2HE LYS 48 114.761 -8.483 -13.882 283 1HZ LYS 48 1HZ LYS 48 114.697 -9.143 -16.183 284 2HZ LYS 48 2HZ LYS 48 115.363 -10.654 -15.818 285 3HZ LYS 48 3HZ LYS 48 116.288 -9.253 -15.617 286 H LEU 49 H LEU 49 117.763 -7.368 -7.801 287 HA LEU 49 HA LEU 49 117.834 -9.698 -6.207 288 1HB LEU 49 1HB LEU 49 118.815 -7.319 -5.801 289 2HB LEU 49 2HB LEU 49 117.256 -6.986 -5.075 290 HG LEU 49 HG LEU 49 117.773 -9.150 -3.678 291 1HD1 LEU 49 1HD1 LEU 49 119.736 -9.992 -4.512 292 2HD1 LEU 49 2HD1 LEU 49 120.341 -8.989 -3.195 293 3HD1 LEU 49 3HD1 LEU 49 120.404 -8.396 -4.854 294 1HD2 LEU 49 1HD2 LEU 49 118.598 -6.332 -3.332 295 2HD2 LEU 49 2HD2 LEU 49 119.282 -7.504 -2.207 296 3HD2 LEU 49 3HD2 LEU 49 117.533 -7.335 -2.346 297 H ARG 50 H ARG 50 115.354 -7.195 -6.609 298 HA ARG 50 HA ARG 50 113.481 -8.762 -5.010 299 1HB ARG 50 1HB ARG 50 113.598 -5.944 -5.973 300 2HB ARG 50 2HB ARG 50 112.014 -6.646 -5.676 301 1HG ARG 50 1HG ARG 50 112.390 -5.795 -3.618 302 2HG ARG 50 2HG ARG 50 113.197 -7.350 -3.398 303 1HD ARG 50 1HD ARG 50 114.790 -5.878 -2.613 304 2HD ARG 50 2HD ARG 50 115.287 -6.085 -4.292 305 HE ARG 50 HE ARG 50 113.657 -3.930 -4.397 306 1HH1 ARG 50 1HH1 ARG 50 116.422 -4.732 -2.424 307 2HH1 ARG 50 2HH1 ARG 50 116.920 -3.085 -2.231 308 1HH2 ARG 50 1HH2 ARG 50 114.310 -1.763 -4.145 309 2HH2 ARG 50 2HH2 ARG 50 115.720 -1.399 -3.207 310 H ASP 51 H ASP 51 114.000 -7.652 -8.305 311 HA ASP 51 HA ASP 51 111.496 -8.416 -9.354 312 1HB ASP 51 1HB ASP 51 114.020 -7.443 -10.379 313 2HB ASP 51 2HB ASP 51 113.380 -8.715 -11.416 314 H LEU 52 H LEU 52 114.553 -10.140 -8.970 315 HA LEU 52 HA LEU 52 113.493 -12.528 -10.218 316 1HB LEU 52 1HB LEU 52 115.937 -11.691 -10.250 317 2HB LEU 52 2HB LEU 52 116.045 -12.393 -8.648 318 HG LEU 52 HG LEU 52 114.968 -14.178 -10.737 319 1HD1 LEU 52 1HD1 LEU 52 117.906 -14.004 -10.759 320 2HD1 LEU 52 2HD1 LEU 52 117.055 -12.691 -11.571 321 3HD1 LEU 52 3HD1 LEU 52 116.776 -14.362 -12.065 322 1HD2 LEU 52 1HD2 LEU 52 116.508 -14.308 -8.240 323 2HD2 LEU 52 2HD2 LEU 52 116.991 -15.470 -9.475 324 3HD2 LEU 52 3HD2 LEU 52 115.322 -15.431 -8.906 325 H TYR 53 H TYR 53 112.624 -11.238 -7.490 326 HA TYR 53 HA TYR 53 112.816 -13.647 -5.838 327 1HB TYR 53 1HB TYR 53 112.952 -10.854 -5.279 328 2HB TYR 53 2HB TYR 53 111.526 -11.497 -4.479 329 HD1 TYR 53 HD1 TYR 53 114.149 -10.360 -3.266 330 HD2 TYR 53 HD2 TYR 53 112.779 -14.317 -4.024 331 HE1 TYR 53 HE1 TYR 53 115.573 -11.196 -1.445 332 HE2 TYR 53 HE2 TYR 53 114.200 -15.163 -2.205 333 HH TYR 53 HH TYR 53 116.676 -13.767 -1.004 334 H SER 54 H SER 54 110.579 -11.459 -7.404 335 HA SER 54 HA SER 54 108.357 -11.586 -7.848 336 1HB SER 54 1HB SER 54 108.249 -14.501 -7.252 337 2HB SER 54 2HB SER 54 107.591 -13.609 -8.624 338 HG SER 54 HG SER 54 109.844 -13.345 -9.290 339 H LYS 55 H LYS 55 108.872 -10.717 -5.364 340 HA LYS 55 HA LYS 55 107.969 -10.397 -3.300 341 1HB LYS 55 1HB LYS 55 105.720 -11.428 -4.945 342 2HB LYS 55 2HB LYS 55 105.485 -11.405 -3.202 343 1HG LYS 55 1HG LYS 55 104.632 -9.366 -3.912 344 2HG LYS 55 2HG LYS 55 106.245 -8.964 -3.322 345 1HD LYS 55 1HD LYS 55 106.455 -7.907 -5.298 346 2HD LYS 55 2HD LYS 55 106.766 -9.527 -5.927 347 1HE LYS 55 1HE LYS 55 103.928 -8.785 -5.710 348 2HE LYS 55 2HE LYS 55 104.860 -7.849 -6.877 349 1HZ LYS 55 1HZ LYS 55 105.676 -10.242 -7.547 350 2HZ LYS 55 2HZ LYS 55 104.245 -9.593 -8.172 351 3HZ LYS 55 3HZ LYS 55 104.185 -10.694 -6.890 352 H SER 56 H SER 56 109.330 -13.035 -4.040 353 HA SER 56 HA SER 56 108.168 -15.152 -2.634 354 1HB SER 56 1HB SER 56 110.056 -15.575 -4.069 355 2HB SER 56 2HB SER 56 111.078 -14.494 -3.125 356 HG SER 56 HG SER 56 111.413 -16.037 -1.733 357 H THR 57 H THR 57 110.683 -12.905 -1.536 358 HA THR 57 HA THR 57 109.603 -13.101 1.170 359 HB THR 57 HB THR 57 111.588 -14.619 0.838 360 HG1 THR 57 HG1 THR 57 110.924 -13.751 2.894 361 1HG2 THR 57 1HG2 THR 57 113.481 -12.443 1.246 362 2HG2 THR 57 2HG2 THR 57 112.794 -12.509 -0.376 363 3HG2 THR 57 3HG2 THR 57 113.626 -13.915 0.287 364 H ALA 58 H ALA 58 109.775 -11.115 -1.147 365 HA ALA 58 HA ALA 58 111.346 -8.934 -0.187 366 1HB ALA 58 1HB ALA 58 109.010 -8.782 -2.088 367 2HB ALA 58 2HB ALA 58 110.635 -9.262 -2.577 368 3HB ALA 58 3HB ALA 58 110.349 -7.645 -1.932 369 H ALA 59 H ALA 59 107.937 -9.834 -0.044 370 HA ALA 59 HA ALA 59 107.140 -7.528 1.446 371 1HB ALA 59 1HB ALA 59 105.138 -9.219 1.930 372 2HB ALA 59 2HB ALA 59 105.858 -10.046 0.549 373 3HB ALA 59 3HB ALA 59 105.312 -8.376 0.391 374 H MET 60 H MET 60 108.581 -10.574 2.224 375 HA MET 60 HA MET 60 107.753 -10.554 4.989 376 1HB MET 60 1HB MET 60 109.460 -12.298 3.275 377 2HB MET 60 2HB MET 60 109.690 -12.367 5.017 378 1HG MET 60 1HG MET 60 108.147 -14.016 4.740 379 2HG MET 60 2HG MET 60 107.086 -12.640 5.037 380 1HE MET 60 1HE MET 60 105.118 -12.761 4.121 381 2HE MET 60 2HE MET 60 105.019 -14.435 3.576 382 3HE MET 60 3HE MET 60 104.635 -13.121 2.463 383 H SER 61 H SER 61 110.225 -9.074 3.150 384 HA SER 61 HA SER 61 111.314 -7.817 5.479 385 1HB SER 61 1HB SER 61 112.867 -9.963 4.066 386 2HB SER 61 2HB SER 61 113.713 -8.603 4.803 387 HG SER 61 HG SER 61 113.422 -9.516 6.662 388 H THR 62 H THR 62 110.204 -6.324 3.813 389 HA THR 62 HA THR 62 111.960 -5.561 1.627 390 HB THR 62 HB THR 62 109.778 -3.776 1.863 391 HG1 THR 62 HG1 THR 62 108.044 -5.135 1.975 392 1HG2 THR 62 1HG2 THR 62 110.540 -5.938 -0.034 393 2HG2 THR 62 2HG2 THR 62 110.417 -4.199 -0.297 394 3HG2 THR 62 3HG2 THR 62 108.955 -5.177 -0.161 395 H TYR 63 H TYR 63 111.244 -4.651 4.840 396 HA TYR 63 HA TYR 63 111.631 -1.949 4.943 397 1HB TYR 63 1HB TYR 63 112.194 -4.192 6.787 398 2HB TYR 63 2HB TYR 63 113.022 -2.679 7.127 399 HD1 TYR 63 HD1 TYR 63 111.983 -1.350 8.692 400 HD2 TYR 63 HD2 TYR 63 109.575 -3.714 6.101 401 HE1 TYR 63 HE1 TYR 63 109.961 -0.484 9.791 402 HE2 TYR 63 HE2 TYR 63 107.546 -2.854 7.193 403 HH TYR 63 HH TYR 63 106.993 -0.610 8.544 404 H THR 64 H THR 64 113.949 -4.426 4.224 405 HA THR 64 HA THR 64 116.361 -3.203 4.742 406 HB THR 64 HB THR 64 115.969 -4.638 2.138 407 HG1 THR 64 HG1 THR 64 115.981 -6.601 3.324 408 1HG2 THR 64 1HG2 THR 64 118.084 -4.747 4.270 409 2HG2 THR 64 2HG2 THR 64 118.231 -4.074 2.647 410 3HG2 THR 64 3HG2 THR 64 118.024 -5.812 2.866 411 H GLY 65 H GLY 65 113.975 -2.413 2.338 412 1HA GLY 65 1HA GLY 65 115.743 -0.777 0.752 413 2HA GLY 65 2HA GLY 65 113.997 -0.894 0.590 414 H ILE 66 H ILE 66 113.853 -0.311 3.615 415 HA ILE 66 HA ILE 66 114.147 2.607 3.331 416 HB ILE 66 HB ILE 66 112.330 1.242 5.287 417 1HG1 ILE 66 1HG1 ILE 66 111.701 0.495 3.031 418 2HG1 ILE 66 2HG1 ILE 66 110.485 1.576 3.704 419 1HG2 ILE 66 1HG2 ILE 66 113.122 3.855 5.047 420 2HG2 ILE 66 2HG2 ILE 66 111.667 3.294 5.870 421 3HG2 ILE 66 3HG2 ILE 66 111.578 3.837 4.194 422 1HD1 ILE 66 1HD1 ILE 66 111.548 1.775 1.218 423 2HD1 ILE 66 2HD1 ILE 66 112.542 2.919 2.119 424 3HD1 ILE 66 3HD1 ILE 66 110.788 3.100 2.101 425 H PHE 67 H PHE 67 115.276 -0.121 5.025 426 HA PHE 67 HA PHE 67 115.736 0.616 7.593 427 1HB PHE 67 1HB PHE 67 116.573 -1.447 6.180 428 2HB PHE 67 2HB PHE 67 118.054 -0.503 6.069 429 HD1 PHE 67 HD1 PHE 67 115.591 -1.208 8.787 430 HD2 PHE 67 HD2 PHE 67 119.654 -1.245 7.522 431 HE1 PHE 67 HE1 PHE 67 116.271 -2.024 11.007 432 HE2 PHE 67 HE2 PHE 67 120.342 -2.061 9.739 433 HZ PHE 67 HZ PHE 67 118.649 -2.452 11.485 434 H THR 68 H THR 68 117.267 1.930 4.747 435 HA THR 68 HA THR 68 118.904 3.689 6.442 436 HB THR 68 HB THR 68 119.250 3.204 3.482 437 HG1 THR 68 HG1 THR 68 120.468 1.895 5.679 438 1HG2 THR 68 1HG2 THR 68 120.490 5.002 5.277 439 2HG2 THR 68 2HG2 THR 68 120.862 4.704 3.579 440 3HG2 THR 68 3HG2 THR 68 121.670 3.767 4.837 441 H ASP 69 H ASP 69 116.290 3.573 4.198 442 HA ASP 69 HA ASP 69 116.384 6.316 3.403 443 1HB ASP 69 1HB ASP 69 115.091 4.153 2.426 444 2HB ASP 69 2HB ASP 69 113.785 4.893 3.347 445 H GLN 70 H GLN 70 114.762 4.489 5.937 446 HA GLN 70 HA GLN 70 113.085 6.596 6.827 447 1HB GLN 70 1HB GLN 70 112.998 4.032 7.327 448 2HB GLN 70 2HB GLN 70 114.078 4.436 8.654 449 1HG GLN 70 1HG GLN 70 111.998 6.292 8.796 450 2HG GLN 70 2HG GLN 70 111.230 4.745 8.450 451 1HE2 GLN 70 1HE2 GLN 70 114.120 5.549 10.331 452 2HE2 GLN 70 2HE2 GLN 70 113.561 4.857 11.813 453 H VAL 71 H VAL 71 116.382 5.653 7.521 454 HA VAL 71 HA VAL 71 116.615 7.567 9.697 455 HB VAL 71 HB VAL 71 118.662 5.731 8.450 456 1HG1 VAL 71 1HG1 VAL 71 119.883 7.508 9.402 457 2HG1 VAL 71 2HG1 VAL 71 119.910 6.225 10.612 458 3HG1 VAL 71 3HG1 VAL 71 118.817 7.595 10.805 459 1HG2 VAL 71 1HG2 VAL 71 118.160 4.159 10.012 460 2HG2 VAL 71 2HG2 VAL 71 116.574 4.921 9.889 461 3HG2 VAL 71 3HG2 VAL 71 117.658 5.351 11.212 462 H LEU 72 H LEU 72 117.690 7.133 6.368 463 HA LEU 72 HA LEU 72 119.519 9.245 6.228 464 1HB LEU 72 1HB LEU 72 119.364 7.563 4.490 465 2HB LEU 72 2HB LEU 72 117.738 8.081 4.089 466 HG LEU 72 HG LEU 72 119.891 10.118 3.890 467 1HD1 LEU 72 1HD1 LEU 72 119.526 8.346 1.542 468 2HD1 LEU 72 2HD1 LEU 72 120.563 7.774 2.849 469 3HD1 LEU 72 3HD1 LEU 72 120.924 9.299 2.040 470 1HD2 LEU 72 1HD2 LEU 72 117.264 10.129 3.318 471 2HD2 LEU 72 2HD2 LEU 72 117.915 9.637 1.754 472 3HD2 LEU 72 3HD2 LEU 72 118.446 11.148 2.496 473 H SER 73 H SER 73 116.043 9.217 6.191 474 HA SER 73 HA SER 73 115.771 11.892 5.170 475 1HB SER 73 1HB SER 73 113.866 9.883 6.345 476 2HB SER 73 2HB SER 73 113.359 11.547 6.056 477 HG SER 73 HG SER 73 114.396 9.741 4.126 478 H VAL 74 H VAL 74 116.201 10.417 8.275 479 HA VAL 74 HA VAL 74 115.114 12.367 9.949 480 HB VAL 74 HB VAL 74 117.538 10.625 10.423 481 1HG1 VAL 74 1HG1 VAL 74 115.854 12.227 12.344 482 2HG1 VAL 74 2HG1 VAL 74 117.573 12.428 12.005 483 3HG1 VAL 74 3HG1 VAL 74 117.001 10.979 12.833 484 1HG2 VAL 74 1HG2 VAL 74 115.894 9.236 11.693 485 2HG2 VAL 74 2HG2 VAL 74 115.625 9.276 9.950 486 3HG2 VAL 74 3HG2 VAL 74 114.612 10.243 11.022 487 H LEU 75 H LEU 75 118.118 12.292 8.165 488 HA LEU 75 HA LEU 75 119.529 14.309 9.480 489 1HB LEU 75 1HB LEU 75 119.553 13.130 6.762 490 2HB LEU 75 2HB LEU 75 120.311 14.701 6.934 491 HG LEU 75 HG LEU 75 121.527 13.506 8.965 492 1HD1 LEU 75 1HD1 LEU 75 120.456 11.295 7.287 493 2HD1 LEU 75 2HD1 LEU 75 120.687 11.380 9.033 494 3HD1 LEU 75 3HD1 LEU 75 122.073 11.136 7.971 495 1HD2 LEU 75 1HD2 LEU 75 122.796 14.485 7.247 496 2HD2 LEU 75 2HD2 LEU 75 122.189 13.352 6.039 497 3HD2 LEU 75 3HD2 LEU 75 123.304 12.796 7.287 498 H LYS 76 H LYS 76 116.735 14.459 7.466 499 HA LYS 76 HA LYS 76 116.218 17.152 8.085 500 1HB LYS 76 1HB LYS 76 118.103 17.143 6.210 501 2HB LYS 76 2HB LYS 76 116.717 16.911 5.153 502 1HG LYS 76 1HG LYS 76 115.698 18.951 6.082 503 2HG LYS 76 2HG LYS 76 117.141 19.195 7.068 504 1HD LYS 76 1HD LYS 76 117.391 20.568 5.149 505 2HD LYS 76 2HD LYS 76 118.466 19.187 4.923 506 1HE LYS 76 1HE LYS 76 116.207 18.258 3.764 507 2HE LYS 76 2HE LYS 76 116.058 19.983 3.427 508 1HZ LYS 76 1HZ LYS 76 118.597 18.592 2.884 509 2HZ LYS 76 2HZ LYS 76 117.969 19.988 2.164 510 3HZ LYS 76 3HZ LYS 76 117.319 18.474 1.780 511 H GLY 77 H GLY 77 114.118 17.027 8.324 512 1HA GLY 77 1HA GLY 77 111.969 17.055 7.157 513 2HA GLY 77 2HA GLY 77 112.540 15.680 6.222 514 H GLU 78 H GLU 78 113.721 15.023 9.138 515 HA GLU 78 HA GLU 78 113.213 13.374 10.631 516 1HB GLU 78 1HB GLU 78 112.222 15.414 11.608 517 2HB GLU 78 2HB GLU 78 110.691 15.018 10.842 518 1HG GLU 78 1HG GLU 78 110.189 13.424 12.353 519 2HG GLU 78 2HG GLU 78 111.866 12.910 12.529 520 H GLU 79 H GLU 79 112.441 12.785 7.893 521 HA GLU 79 HA GLU 79 110.046 11.130 8.301 522 1HB GLU 79 1HB GLU 79 110.497 12.838 6.290 523 2HB GLU 79 2HB GLU 79 111.263 11.411 5.605 524 1HG GLU 79 1HG GLU 79 108.966 11.580 4.875 525 2HG GLU 79 2HG GLU 79 109.188 10.157 5.891 Start of MODEL 14 1 H THR 13 H THR 13 103.564 -7.910 15.824 2 HA THR 13 HA THR 13 103.769 -6.386 18.323 3 HB THR 13 HB THR 13 105.416 -8.703 17.288 4 HG1 THR 13 HG1 THR 13 103.792 -8.321 19.569 5 1HG2 THR 13 1HG2 THR 13 107.169 -8.001 18.429 6 2HG2 THR 13 2HG2 THR 13 106.198 -7.934 19.899 7 3HG2 THR 13 3HG2 THR 13 106.309 -6.521 18.850 8 H PHE 14 H PHE 14 106.282 -7.492 16.124 9 HA PHE 14 HA PHE 14 107.188 -4.798 15.732 10 1HB PHE 14 1HB PHE 14 108.125 -7.462 14.659 11 2HB PHE 14 2HB PHE 14 108.884 -5.935 14.218 12 HD1 PHE 14 HD1 PHE 14 109.468 -8.640 16.089 13 HD2 PHE 14 HD2 PHE 14 109.097 -4.433 16.610 14 HE1 PHE 14 HE1 PHE 14 110.879 -8.769 18.100 15 HE2 PHE 14 HE2 PHE 14 110.508 -4.553 18.623 16 HZ PHE 14 HZ PHE 14 111.401 -6.724 19.369 17 H LEU 15 H LEU 15 105.180 -7.041 14.043 18 HA LEU 15 HA LEU 15 105.377 -5.678 11.501 19 1HB LEU 15 1HB LEU 15 103.502 -7.240 10.870 20 2HB LEU 15 2HB LEU 15 105.008 -8.004 11.345 21 HG LEU 15 HG LEU 15 103.036 -7.631 13.512 22 1HD1 LEU 15 1HD1 LEU 15 102.574 -9.834 11.529 23 2HD1 LEU 15 2HD1 LEU 15 101.724 -8.293 11.421 24 3HD1 LEU 15 3HD1 LEU 15 101.541 -9.302 12.855 25 1HD2 LEU 15 1HD2 LEU 15 104.278 -10.231 12.843 26 2HD2 LEU 15 2HD2 LEU 15 104.070 -9.439 14.405 27 3HD2 LEU 15 3HD2 LEU 15 105.365 -8.927 13.322 28 H THR 16 H THR 16 103.357 -5.604 14.329 29 HA THR 16 HA THR 16 101.110 -4.319 13.169 30 HB THR 16 HB THR 16 101.999 -4.085 16.044 31 HG1 THR 16 HG1 THR 16 100.724 -6.223 14.709 32 1HG2 THR 16 1HG2 THR 16 99.632 -4.031 16.546 33 2HG2 THR 16 2HG2 THR 16 99.248 -4.160 14.830 34 3HG2 THR 16 3HG2 THR 16 100.064 -2.723 15.446 35 H GLN 17 H GLN 17 104.114 -3.143 14.580 36 HA GLN 17 HA GLN 17 103.381 -0.430 14.747 37 1HB GLN 17 1HB GLN 17 105.479 -0.125 15.513 38 2HB GLN 17 2HB GLN 17 105.581 -1.878 15.479 39 1HG GLN 17 1HG GLN 17 106.787 -1.880 13.472 40 2HG GLN 17 2HG GLN 17 106.367 -0.203 13.118 41 1HE2 GLN 17 1HE2 GLN 17 107.540 1.433 14.027 42 2HE2 GLN 17 2HE2 GLN 17 108.994 1.178 14.926 43 H VAL 18 H VAL 18 105.166 -2.199 12.215 44 HA VAL 18 HA VAL 18 105.364 -0.033 10.426 45 HB VAL 18 HB VAL 18 105.085 -2.802 9.347 46 1HG1 VAL 18 1HG1 VAL 18 107.257 -1.842 8.188 47 2HG1 VAL 18 2HG1 VAL 18 106.543 -0.306 8.678 48 3HG1 VAL 18 3HG1 VAL 18 105.640 -1.406 7.637 49 1HG2 VAL 18 1HG2 VAL 18 106.432 -3.473 11.087 50 2HG2 VAL 18 2HG2 VAL 18 107.191 -1.889 11.252 51 3HG2 VAL 18 3HG2 VAL 18 107.647 -2.951 9.920 52 H LYS 19 H LYS 19 102.880 -2.428 11.020 53 HA LYS 19 HA LYS 19 101.283 -2.041 8.776 54 1HB LYS 19 1HB LYS 19 100.838 -3.001 11.549 55 2HB LYS 19 2HB LYS 19 99.407 -2.494 10.661 56 1HG LYS 19 1HG LYS 19 101.038 -4.168 9.001 57 2HG LYS 19 2HG LYS 19 100.722 -4.965 10.542 58 1HD LYS 19 1HD LYS 19 98.933 -5.605 9.167 59 2HD LYS 19 2HD LYS 19 98.277 -4.312 10.175 60 1HE LYS 19 1HE LYS 19 97.571 -3.455 8.223 61 2HE LYS 19 2HE LYS 19 99.237 -2.900 8.065 62 1HZ LYS 19 1HZ LYS 19 98.029 -5.332 6.875 63 2HZ LYS 19 2HZ LYS 19 99.694 -5.035 6.887 64 3HZ LYS 19 3HZ LYS 19 98.655 -3.987 6.061 65 H GLU 20 H GLU 20 101.875 -0.028 11.524 66 HA GLU 20 HA GLU 20 99.570 1.660 11.136 67 1HB GLU 20 1HB GLU 20 102.096 2.237 12.693 68 2HB GLU 20 2HB GLU 20 100.560 3.081 12.835 69 1HG GLU 20 1HG GLU 20 100.421 0.185 13.276 70 2HG GLU 20 2HG GLU 20 101.379 1.077 14.457 71 H SER 21 H SER 21 102.735 1.401 9.824 72 HA SER 21 HA SER 21 102.660 4.103 8.717 73 1HB SER 21 1HB SER 21 104.732 2.330 9.578 74 2HB SER 21 2HB SER 21 104.965 2.698 7.872 75 HG SER 21 HG SER 21 105.543 4.645 8.402 76 H LEU 22 H LEU 22 103.229 0.735 7.607 77 HA LEU 22 HA LEU 22 103.162 1.300 4.871 78 1HB LEU 22 1HB LEU 22 102.805 -1.044 4.516 79 2HB LEU 22 2HB LEU 22 103.911 -0.846 5.861 80 HG LEU 22 HG LEU 22 101.621 -1.024 7.235 81 1HD1 LEU 22 1HD1 LEU 22 101.130 -2.366 4.606 82 2HD1 LEU 22 2HD1 LEU 22 100.056 -1.334 5.552 83 3HD1 LEU 22 3HD1 LEU 22 100.392 -2.980 6.086 84 1HD2 LEU 22 1HD2 LEU 22 103.623 -2.992 6.309 85 2HD2 LEU 22 2HD2 LEU 22 102.158 -3.638 7.049 86 3HD2 LEU 22 3HD2 LEU 22 103.175 -2.511 7.945 87 H SER 23 H SER 23 100.669 1.224 7.201 88 HA SER 23 HA SER 23 98.564 1.053 5.179 89 1HB SER 23 1HB SER 23 98.367 -0.235 7.328 90 2HB SER 23 2HB SER 23 98.266 1.305 8.181 91 HG SER 23 HG SER 23 96.409 1.763 6.854 92 H SER 24 H SER 24 100.293 3.345 7.103 93 HA SER 24 HA SER 24 98.289 5.408 6.895 94 1HB SER 24 1HB SER 24 99.737 5.444 8.831 95 2HB SER 24 2HB SER 24 101.173 5.487 7.807 96 HG SER 24 HG SER 24 99.345 7.510 8.410 97 H TYR 25 H TYR 25 100.478 4.090 4.773 98 HA TYR 25 HA TYR 25 100.576 6.561 3.178 99 1HB TYR 25 1HB TYR 25 102.686 4.825 3.956 100 2HB TYR 25 2HB TYR 25 102.451 4.607 2.225 101 HD1 TYR 25 HD1 TYR 25 102.601 6.602 0.712 102 HD2 TYR 25 HD2 TYR 25 103.708 6.779 4.815 103 HE1 TYR 25 HE1 TYR 25 103.862 8.668 0.276 104 HE2 TYR 25 HE2 TYR 25 104.971 8.847 4.392 105 HH TYR 25 HH TYR 25 104.822 10.757 2.581 106 H TRP 26 H TRP 26 99.135 3.599 3.490 107 HA TRP 26 HA TRP 26 98.878 3.077 0.632 108 1HB TRP 26 1HB TRP 26 99.193 1.186 2.227 109 2HB TRP 26 2HB TRP 26 97.655 1.601 2.977 110 HD1 TRP 26 HD1 TRP 26 95.452 1.426 1.237 111 HE1 TRP 26 HE1 TRP 26 94.997 -0.346 -0.567 112 HE3 TRP 26 HE3 TRP 26 100.207 -0.352 0.629 113 HZ2 TRP 26 HZ2 TRP 26 96.459 -2.251 -2.054 114 HZ3 TRP 26 HZ3 TRP 26 100.593 -2.151 -1.004 115 HH2 TRP 26 HH2 TRP 26 98.756 -3.080 -2.318 116 H GLU 27 H GLU 27 97.182 4.467 3.310 117 HA GLU 27 HA GLU 27 94.633 4.532 1.942 118 1HB GLU 27 1HB GLU 27 94.817 4.289 4.423 119 2HB GLU 27 2HB GLU 27 95.447 5.930 4.493 120 1HG GLU 27 1HG GLU 27 93.079 6.118 3.034 121 2HG GLU 27 2HG GLU 27 92.726 5.010 4.359 122 H SER 28 H SER 28 97.420 6.517 2.259 123 HA SER 28 HA SER 28 96.103 8.958 1.459 124 1HB SER 28 1HB SER 28 98.287 8.612 2.894 125 2HB SER 28 2HB SER 28 99.065 8.562 1.318 126 HG SER 28 HG SER 28 98.987 10.686 2.188 127 H ALA 29 H ALA 29 98.136 6.490 0.022 128 HA ALA 29 HA ALA 29 98.590 7.639 -2.466 129 1HB ALA 29 1HB ALA 29 98.340 4.799 -1.550 130 2HB ALA 29 2HB ALA 29 99.768 5.670 -2.109 131 3HB ALA 29 3HB ALA 29 98.534 5.165 -3.265 132 H LYS 30 H LYS 30 95.712 6.270 -1.103 133 HA LYS 30 HA LYS 30 94.313 6.082 -3.613 134 1HB LYS 30 1HB LYS 30 93.834 5.325 -0.858 135 2HB LYS 30 2HB LYS 30 92.432 6.147 -1.529 136 1HG LYS 30 1HG LYS 30 93.646 4.072 -3.232 137 2HG LYS 30 2HG LYS 30 92.865 3.511 -1.752 138 1HD LYS 30 1HD LYS 30 90.817 4.696 -2.388 139 2HD LYS 30 2HD LYS 30 91.600 5.252 -3.869 140 1HE LYS 30 1HE LYS 30 91.703 3.073 -4.754 141 2HE LYS 30 2HE LYS 30 91.352 2.336 -3.193 142 1HZ LYS 30 1HZ LYS 30 89.430 4.034 -4.685 143 2HZ LYS 30 2HZ LYS 30 89.117 3.114 -3.301 144 3HZ LYS 30 3HZ LYS 30 89.455 2.344 -4.769 145 H THR 31 H THR 31 94.831 8.449 -1.111 146 HA THR 31 HA THR 31 92.686 10.159 -1.480 147 HB THR 31 HB THR 31 95.546 11.011 -0.999 148 HG1 THR 31 HG1 THR 31 93.597 9.956 0.754 149 1HG2 THR 31 1HG2 THR 31 94.621 13.038 -0.946 150 2HG2 THR 31 2HG2 THR 31 93.970 12.531 0.612 151 3HG2 THR 31 3HG2 THR 31 92.982 12.396 -0.843 152 H ALA 32 H ALA 32 95.658 9.851 -3.387 153 HA ALA 32 HA ALA 32 94.461 10.781 -5.749 154 1HB ALA 32 1HB ALA 32 96.373 12.887 -4.975 155 2HB ALA 32 2HB ALA 32 94.822 12.903 -4.135 156 3HB ALA 32 3HB ALA 32 94.873 12.994 -5.895 157 H ALA 33 H ALA 33 96.219 8.701 -4.905 158 HA ALA 33 HA ALA 33 98.573 9.318 -6.575 159 1HB ALA 33 1HB ALA 33 98.683 7.124 -4.563 160 2HB ALA 33 2HB ALA 33 98.841 8.793 -4.014 161 3HB ALA 33 3HB ALA 33 99.977 8.143 -5.196 162 H GLN 34 H GLN 34 96.141 6.940 -5.677 163 HA GLN 34 HA GLN 34 97.013 5.010 -7.614 164 1HB GLN 34 1HB GLN 34 94.764 5.239 -5.677 165 2HB GLN 34 2HB GLN 34 94.556 4.148 -7.041 166 1HG GLN 34 1HG GLN 34 96.952 3.327 -6.260 167 2HG GLN 34 2HG GLN 34 96.383 3.963 -4.717 168 1HE2 GLN 34 1HE2 GLN 34 96.943 1.295 -5.044 169 2HE2 GLN 34 2HE2 GLN 34 95.478 0.384 -4.968 170 H ASN 35 H ASN 35 95.207 7.879 -7.752 171 HA ASN 35 HA ASN 35 93.564 7.094 -10.001 172 1HB ASN 35 1HB ASN 35 93.164 8.898 -8.076 173 2HB ASN 35 2HB ASN 35 93.953 9.945 -9.245 174 1HD2 ASN 35 1HD2 ASN 35 91.048 8.831 -8.211 175 2HD2 ASN 35 2HD2 ASN 35 90.105 9.113 -9.630 176 H LEU 36 H LEU 36 96.199 9.386 -9.391 177 HA LEU 36 HA LEU 36 96.559 10.106 -12.106 178 1HB LEU 36 1HB LEU 36 98.532 11.252 -11.387 179 2HB LEU 36 2HB LEU 36 97.279 11.486 -10.184 180 HG LEU 36 HG LEU 36 98.478 9.399 -9.054 181 1HD1 LEU 36 1HD1 LEU 36 100.588 8.963 -9.666 182 2HD1 LEU 36 2HD1 LEU 36 100.964 10.663 -9.950 183 3HD1 LEU 36 3HD1 LEU 36 100.134 9.723 -11.191 184 1HD2 LEU 36 1HD2 LEU 36 99.361 10.881 -7.530 185 2HD2 LEU 36 2HD2 LEU 36 98.163 11.890 -8.340 186 3HD2 LEU 36 3HD2 LEU 36 99.867 12.025 -8.772 187 H TYR 37 H TYR 37 98.151 7.694 -10.040 188 HA TYR 37 HA TYR 37 100.162 7.020 -11.906 189 1HB TYR 37 1HB TYR 37 100.886 5.536 -10.352 190 2HB TYR 37 2HB TYR 37 99.796 6.439 -9.313 191 HD1 TYR 37 HD1 TYR 37 97.168 5.335 -10.175 192 HD2 TYR 37 HD2 TYR 37 100.883 3.394 -9.454 193 HE1 TYR 37 HE1 TYR 37 95.972 3.251 -9.642 194 HE2 TYR 37 HE2 TYR 37 99.698 1.308 -8.920 195 HH TYR 37 HH TYR 37 96.914 0.508 -9.761 196 H GLU 38 H GLU 38 96.852 6.436 -11.997 197 HA GLU 38 HA GLU 38 97.074 3.971 -13.526 198 1HB GLU 38 1HB GLU 38 94.875 5.479 -12.230 199 2HB GLU 38 2HB GLU 38 94.454 4.567 -13.673 200 1HG GLU 38 1HG GLU 38 96.070 2.990 -11.879 201 2HG GLU 38 2HG GLU 38 94.632 3.613 -11.072 202 H LYS 39 H LYS 39 96.815 7.366 -14.060 203 HA LYS 39 HA LYS 39 96.420 6.850 -16.932 204 1HB LYS 39 1HB LYS 39 95.243 9.014 -17.092 205 2HB LYS 39 2HB LYS 39 94.404 7.871 -16.054 206 1HG LYS 39 1HG LYS 39 94.710 9.118 -14.198 207 2HG LYS 39 2HG LYS 39 96.295 9.697 -14.717 208 1HD LYS 39 1HD LYS 39 94.028 10.638 -16.338 209 2HD LYS 39 2HD LYS 39 94.047 11.214 -14.671 210 1HE LYS 39 1HE LYS 39 96.626 11.331 -16.085 211 2HE LYS 39 2HE LYS 39 95.372 12.402 -16.709 212 1HZ LYS 39 1HZ LYS 39 96.981 13.049 -14.701 213 2HZ LYS 39 2HZ LYS 39 95.704 12.373 -13.822 214 3HZ LYS 39 3HZ LYS 39 95.416 13.672 -14.867 215 H THR 40 H THR 40 98.899 7.111 -15.393 216 HA THR 40 HA THR 40 99.970 9.548 -16.655 217 HB THR 40 HB THR 40 101.833 9.232 -14.877 218 HG1 THR 40 HG1 THR 40 99.698 7.798 -13.687 219 1HG2 THR 40 1HG2 THR 40 100.364 10.317 -13.086 220 2HG2 THR 40 2HG2 THR 40 99.087 10.264 -14.301 221 3HG2 THR 40 3HG2 THR 40 100.572 11.161 -14.620 222 H TYR 41 H TYR 41 101.545 6.716 -15.251 223 HA TYR 41 HA TYR 41 102.482 5.873 -17.875 224 1HB TYR 41 1HB TYR 41 104.067 7.569 -16.449 225 2HB TYR 41 2HB TYR 41 104.646 6.006 -15.881 226 HD1 TYR 41 HD1 TYR 41 105.286 4.278 -17.704 227 HD2 TYR 41 HD2 TYR 41 104.870 8.446 -18.450 228 HE1 TYR 41 HE1 TYR 41 106.658 4.047 -19.732 229 HE2 TYR 41 HE2 TYR 41 106.239 8.225 -20.480 230 HH TYR 41 HH TYR 41 108.163 5.648 -21.130 231 H LEU 42 H LEU 42 100.736 4.777 -15.820 232 HA LEU 42 HA LEU 42 100.408 2.917 -14.508 233 1HB LEU 42 1HB LEU 42 100.863 0.841 -15.725 234 2HB LEU 42 2HB LEU 42 100.128 2.061 -16.747 235 HG LEU 42 HG LEU 42 103.101 1.803 -16.757 236 1HD1 LEU 42 1HD1 LEU 42 101.700 -0.469 -17.045 237 2HD1 LEU 42 2HD1 LEU 42 103.195 -0.128 -17.917 238 3HD1 LEU 42 3HD1 LEU 42 101.637 0.139 -18.700 239 1HD2 LEU 42 1HD2 LEU 42 101.984 2.072 -19.323 240 2HD2 LEU 42 2HD2 LEU 42 102.824 3.299 -18.374 241 3HD2 LEU 42 3HD2 LEU 42 101.070 3.148 -18.267 242 HA PRO 43 HA PRO 43 104.698 2.541 -12.782 243 1HB PRO 43 1HB PRO 43 104.105 4.164 -10.539 244 2HB PRO 43 2HB PRO 43 105.093 4.598 -11.934 245 1HG PRO 43 1HG PRO 43 102.631 5.732 -11.250 246 2HG PRO 43 2HG PRO 43 103.448 5.881 -12.814 247 1HD PRO 43 1HD PRO 43 101.219 4.072 -12.001 248 2HD PRO 43 2HD PRO 43 101.526 4.858 -13.564 249 H ALA 44 H ALA 44 102.044 1.070 -12.356 250 HA ALA 44 HA ALA 44 102.216 0.380 -9.541 251 1HB ALA 44 1HB ALA 44 100.364 -1.052 -11.362 252 2HB ALA 44 2HB ALA 44 100.055 0.655 -11.045 253 3HB ALA 44 3HB ALA 44 100.116 -0.493 -9.708 254 H VAL 45 H VAL 45 103.540 -0.648 -12.432 255 HA VAL 45 HA VAL 45 103.685 -3.441 -11.983 256 HB VAL 45 HB VAL 45 104.104 -2.721 -14.191 257 1HG1 VAL 45 1HG1 VAL 45 104.736 -0.495 -14.064 258 2HG1 VAL 45 2HG1 VAL 45 106.209 -1.280 -14.635 259 3HG1 VAL 45 3HG1 VAL 45 106.052 -0.829 -12.938 260 1HG2 VAL 45 1HG2 VAL 45 105.655 -4.272 -14.543 261 2HG2 VAL 45 2HG2 VAL 45 106.001 -4.272 -12.816 262 3HG2 VAL 45 3HG2 VAL 45 106.914 -3.222 -13.896 263 H ASP 46 H ASP 46 105.576 -0.699 -10.948 264 HA ASP 46 HA ASP 46 107.696 -2.300 -9.829 265 1HB ASP 46 1HB ASP 46 107.770 0.177 -10.698 266 2HB ASP 46 2HB ASP 46 107.222 0.559 -9.068 267 H GLU 47 H GLU 47 104.555 -1.565 -8.910 268 HA GLU 47 HA GLU 47 105.154 -2.310 -6.136 269 1HB GLU 47 1HB GLU 47 103.095 -0.232 -6.879 270 2HB GLU 47 2HB GLU 47 103.604 -0.699 -5.262 271 1HG GLU 47 1HG GLU 47 105.733 0.311 -5.550 272 2HG GLU 47 2HG GLU 47 105.450 0.558 -7.272 273 H LYS 48 H LYS 48 104.166 -3.795 -8.499 274 HA LYS 48 HA LYS 48 102.024 -5.166 -7.201 275 1HB LYS 48 1HB LYS 48 101.120 -3.045 -8.585 276 2HB LYS 48 2HB LYS 48 101.159 -4.236 -9.879 277 1HG LYS 48 1HG LYS 48 99.886 -5.720 -8.136 278 2HG LYS 48 2HG LYS 48 99.482 -4.156 -7.422 279 1HD LYS 48 1HD LYS 48 98.949 -3.648 -10.015 280 2HD LYS 48 2HD LYS 48 98.592 -5.375 -9.958 281 1HE LYS 48 1HE LYS 48 97.284 -4.696 -7.780 282 2HE LYS 48 2HE LYS 48 97.268 -3.109 -8.547 283 1HZ LYS 48 1HZ LYS 48 95.865 -5.541 -9.290 284 2HZ LYS 48 2HZ LYS 48 96.496 -4.642 -10.576 285 3HZ LYS 48 3HZ LYS 48 95.413 -3.924 -9.494 286 H LEU 49 H LEU 49 103.075 -4.687 -10.592 287 HA LEU 49 HA LEU 49 102.881 -7.425 -11.234 288 1HB LEU 49 1HB LEU 49 104.325 -5.128 -12.520 289 2HB LEU 49 2HB LEU 49 104.425 -6.751 -13.172 290 HG LEU 49 HG LEU 49 101.745 -5.504 -12.698 291 1HD1 LEU 49 1HD1 LEU 49 102.070 -4.983 -15.290 292 2HD1 LEU 49 2HD1 LEU 49 103.736 -4.758 -14.757 293 3HD1 LEU 49 3HD1 LEU 49 102.442 -3.806 -14.029 294 1HD2 LEU 49 1HD2 LEU 49 101.775 -7.847 -13.240 295 2HD2 LEU 49 2HD2 LEU 49 102.825 -7.554 -14.626 296 3HD2 LEU 49 3HD2 LEU 49 101.169 -6.946 -14.631 297 H ARG 50 H ARG 50 105.287 -5.650 -9.554 298 HA ARG 50 HA ARG 50 106.956 -8.058 -9.449 299 1HB ARG 50 1HB ARG 50 107.682 -5.667 -10.771 300 2HB ARG 50 2HB ARG 50 108.629 -5.728 -9.290 301 1HG ARG 50 1HG ARG 50 108.533 -8.255 -10.766 302 2HG ARG 50 2HG ARG 50 109.308 -6.926 -11.630 303 1HD ARG 50 1HD ARG 50 110.539 -6.559 -9.351 304 2HD ARG 50 2HD ARG 50 110.089 -8.239 -9.065 305 HE ARG 50 HE ARG 50 111.250 -8.128 -11.581 306 1HH1 ARG 50 1HH1 ARG 50 112.192 -7.538 -8.273 307 2HH1 ARG 50 2HH1 ARG 50 113.850 -7.961 -8.538 308 1HH2 ARG 50 1HH2 ARG 50 113.431 -8.685 -11.932 309 2HH2 ARG 50 2HH2 ARG 50 114.554 -8.611 -10.614 310 H ASP 51 H ASP 51 105.009 -6.389 -7.690 311 HA ASP 51 HA ASP 51 106.747 -6.414 -5.317 312 1HB ASP 51 1HB ASP 51 105.976 -4.092 -6.312 313 2HB ASP 51 2HB ASP 51 104.483 -4.471 -5.459 314 H LEU 52 H LEU 52 104.048 -7.707 -6.783 315 HA LEU 52 HA LEU 52 102.419 -7.990 -4.427 316 1HB LEU 52 1HB LEU 52 102.229 -8.766 -7.272 317 2HB LEU 52 2HB LEU 52 101.392 -9.808 -6.138 318 HG LEU 52 HG LEU 52 100.959 -6.829 -6.362 319 1HD1 LEU 52 1HD1 LEU 52 99.289 -9.120 -7.388 320 2HD1 LEU 52 2HD1 LEU 52 100.203 -7.976 -8.371 321 3HD1 LEU 52 3HD1 LEU 52 98.831 -7.416 -7.414 322 1HD2 LEU 52 1HD2 LEU 52 100.469 -8.408 -4.212 323 2HD2 LEU 52 2HD2 LEU 52 98.952 -8.559 -5.098 324 3HD2 LEU 52 3HD2 LEU 52 99.541 -6.966 -4.625 325 H TYR 53 H TYR 53 105.280 -9.221 -4.974 326 HA TYR 53 HA TYR 53 104.711 -11.990 -4.266 327 1HB TYR 53 1HB TYR 53 106.756 -10.661 -5.740 328 2HB TYR 53 2HB TYR 53 107.499 -11.470 -4.365 329 HD1 TYR 53 HD1 TYR 53 105.834 -13.870 -4.086 330 HD2 TYR 53 HD2 TYR 53 107.293 -11.956 -7.594 331 HE1 TYR 53 HE1 TYR 53 105.728 -16.011 -5.291 332 HE2 TYR 53 HE2 TYR 53 107.190 -14.092 -8.810 333 HH TYR 53 HH TYR 53 106.684 -17.088 -7.222 334 H SER 54 H SER 54 106.926 -9.445 -3.160 335 HA SER 54 HA SER 54 107.923 -9.108 -1.139 336 1HB SER 54 1HB SER 54 105.014 -9.487 -0.433 337 2HB SER 54 2HB SER 54 106.212 -9.028 0.778 338 HG SER 54 HG SER 54 105.216 -7.577 -1.392 339 H LYS 55 H LYS 55 108.471 -11.535 -1.982 340 HA LYS 55 HA LYS 55 109.323 -12.911 0.273 341 1HB LYS 55 1HB LYS 55 107.904 -14.923 0.215 342 2HB LYS 55 2HB LYS 55 106.974 -13.492 0.636 343 1HG LYS 55 1HG LYS 55 106.649 -13.536 -2.051 344 2HG LYS 55 2HG LYS 55 106.771 -15.260 -1.694 345 1HD LYS 55 1HD LYS 55 104.974 -15.090 -0.082 346 2HD LYS 55 2HD LYS 55 104.896 -13.341 -0.311 347 1HE LYS 55 1HE LYS 55 103.779 -13.515 -2.271 348 2HE LYS 55 2HE LYS 55 104.631 -14.982 -2.750 349 1HZ LYS 55 1HZ LYS 55 103.128 -16.306 -1.711 350 2HZ LYS 55 2HZ LYS 55 102.104 -15.009 -2.068 351 3HZ LYS 55 3HZ LYS 55 102.755 -15.169 -0.514 352 H SER 56 H SER 56 108.457 -12.873 -3.104 353 HA SER 56 HA SER 56 109.796 -15.180 -3.975 354 1HB SER 56 1HB SER 56 108.549 -14.237 -5.675 355 2HB SER 56 2HB SER 56 109.024 -12.591 -5.255 356 HG SER 56 HG SER 56 110.856 -14.463 -6.322 357 H THR 57 H THR 57 110.955 -11.904 -3.399 358 HA THR 57 HA THR 57 113.663 -12.918 -3.109 359 HB THR 57 HB THR 57 113.156 -10.515 -4.853 360 HG1 THR 57 HG1 THR 57 112.959 -11.763 -6.535 361 1HG2 THR 57 1HG2 THR 57 115.558 -12.218 -4.308 362 2HG2 THR 57 2HG2 THR 57 115.376 -10.474 -4.126 363 3HG2 THR 57 3HG2 THR 57 115.433 -11.190 -5.736 364 H ALA 58 H ALA 58 111.438 -11.698 -1.488 365 HA ALA 58 HA ALA 58 112.311 -9.109 -0.671 366 1HB ALA 58 1HB ALA 58 110.746 -10.771 1.213 367 2HB ALA 58 2HB ALA 58 110.005 -10.429 -0.350 368 3HB ALA 58 3HB ALA 58 110.502 -9.101 0.700 369 H ALA 59 H ALA 59 112.556 -12.351 0.763 370 HA ALA 59 HA ALA 59 114.170 -11.551 2.951 371 1HB ALA 59 1HB ALA 59 114.771 -14.133 2.802 372 2HB ALA 59 2HB ALA 59 113.367 -14.137 1.735 373 3HB ALA 59 3HB ALA 59 113.210 -13.569 3.398 374 H MET 60 H MET 60 114.849 -12.383 -0.361 375 HA MET 60 HA MET 60 117.692 -12.696 0.097 376 1HB MET 60 1HB MET 60 115.883 -12.874 -2.278 377 2HB MET 60 2HB MET 60 117.605 -12.634 -2.537 378 1HG MET 60 1HG MET 60 118.137 -14.723 -1.882 379 2HG MET 60 2HG MET 60 116.860 -14.787 -0.669 380 1HE MET 60 1HE MET 60 117.148 -17.349 -3.859 381 2HE MET 60 2HE MET 60 116.474 -17.790 -2.290 382 3HE MET 60 3HE MET 60 117.980 -16.876 -2.377 383 H SER 61 H SER 61 115.520 -10.138 -0.466 384 HA SER 61 HA SER 61 117.743 -8.279 -0.738 385 1HB SER 61 1HB SER 61 116.840 -8.876 -3.055 386 2HB SER 61 2HB SER 61 115.363 -8.038 -2.580 387 HG SER 61 HG SER 61 117.922 -6.836 -2.430 388 H THR 62 H THR 62 116.583 -8.506 1.570 389 HA THR 62 HA THR 62 114.264 -6.807 1.821 390 HB THR 62 HB THR 62 115.480 -7.345 4.343 391 HG1 THR 62 HG1 THR 62 116.415 -9.170 3.929 392 1HG2 THR 62 1HG2 THR 62 113.331 -7.561 4.794 393 2HG2 THR 62 2HG2 THR 62 113.357 -9.127 3.982 394 3HG2 THR 62 3HG2 THR 62 112.936 -7.670 3.079 395 H TYR 63 H TYR 63 117.648 -6.452 1.823 396 HA TYR 63 HA TYR 63 118.191 -4.432 3.587 397 1HB TYR 63 1HB TYR 63 119.280 -5.253 0.968 398 2HB TYR 63 2HB TYR 63 119.635 -3.603 1.455 399 HD1 TYR 63 HD1 TYR 63 120.275 -3.542 4.146 400 HD2 TYR 63 HD2 TYR 63 120.969 -6.744 1.432 401 HE1 TYR 63 HE1 TYR 63 122.103 -4.353 5.578 402 HE2 TYR 63 HE2 TYR 63 122.798 -7.563 2.856 403 HH TYR 63 HH TYR 63 123.335 -6.372 6.025 404 H THR 64 H THR 64 116.270 -4.331 0.712 405 HA THR 64 HA THR 64 116.268 -1.671 0.011 406 HB THR 64 HB THR 64 113.755 -3.335 0.207 407 HG1 THR 64 HG1 THR 64 115.684 -3.350 -1.870 408 1HG2 THR 64 1HG2 THR 64 114.478 -1.488 -2.025 409 2HG2 THR 64 2HG2 THR 64 113.705 -0.881 -0.560 410 3HG2 THR 64 3HG2 THR 64 112.896 -2.100 -1.546 411 H GLY 65 H GLY 65 114.952 -3.191 2.859 412 1HA GLY 65 1HA GLY 65 113.298 -1.000 3.662 413 2HA GLY 65 2HA GLY 65 113.815 -2.340 4.675 414 H ILE 66 H ILE 66 116.682 -1.751 3.979 415 HA ILE 66 HA ILE 66 117.015 0.469 5.876 416 HB ILE 66 HB ILE 66 119.175 -1.455 5.096 417 1HG1 ILE 66 1HG1 ILE 66 117.235 -1.814 7.389 418 2HG1 ILE 66 2HG1 ILE 66 117.198 -2.744 5.894 419 1HG2 ILE 66 1HG2 ILE 66 119.647 0.696 6.330 420 2HG2 ILE 66 2HG2 ILE 66 120.228 -0.779 7.101 421 3HG2 ILE 66 3HG2 ILE 66 118.762 0.005 7.690 422 1HD1 ILE 66 1HD1 ILE 66 118.454 -3.521 8.150 423 2HD1 ILE 66 2HD1 ILE 66 119.779 -2.740 7.287 424 3HD1 ILE 66 3HD1 ILE 66 118.891 -4.063 6.530 425 H PHE 67 H PHE 67 117.457 -0.428 2.605 426 HA PHE 67 HA PHE 67 119.685 0.802 1.689 427 1HB PHE 67 1HB PHE 67 117.927 -0.321 0.296 428 2HB PHE 67 2HB PHE 67 116.976 1.157 0.396 429 HD1 PHE 67 HD1 PHE 67 120.043 -0.358 -0.944 430 HD2 PHE 67 HD2 PHE 67 117.528 3.075 -0.906 431 HE1 PHE 67 HE1 PHE 67 121.238 0.534 -2.901 432 HE2 PHE 67 HE2 PHE 67 118.718 3.973 -2.864 433 HZ PHE 67 HZ PHE 67 120.576 2.702 -3.864 434 H THR 68 H THR 68 116.825 2.371 2.936 435 HA THR 68 HA THR 68 117.957 5.005 2.326 436 HB THR 68 HB THR 68 115.207 4.268 3.352 437 HG1 THR 68 HG1 THR 68 115.357 3.636 1.246 438 1HG2 THR 68 1HG2 THR 68 116.127 6.908 2.250 439 2HG2 THR 68 2HG2 THR 68 115.935 6.560 3.968 440 3HG2 THR 68 3HG2 THR 68 114.536 6.506 2.895 441 H ASP 69 H ASP 69 117.211 2.827 4.931 442 HA ASP 69 HA ASP 69 117.393 4.723 7.045 443 1HB ASP 69 1HB ASP 69 116.536 2.166 6.918 444 2HB ASP 69 2HB ASP 69 118.143 1.907 7.589 445 H GLN 70 H GLN 70 119.695 2.624 5.404 446 HA GLN 70 HA GLN 70 121.873 3.070 7.154 447 1HB GLN 70 1HB GLN 70 121.464 1.882 4.487 448 2HB GLN 70 2HB GLN 70 123.069 2.549 4.756 449 1HG GLN 70 1HG GLN 70 122.982 1.191 6.963 450 2HG GLN 70 2HG GLN 70 121.700 0.295 6.149 451 1HE2 GLN 70 1HE2 GLN 70 124.820 1.662 5.146 452 2HE2 GLN 70 2HE2 GLN 70 125.427 0.205 4.444 453 H VAL 71 H VAL 71 120.532 4.874 4.491 454 HA VAL 71 HA VAL 71 122.822 6.643 4.302 455 HB VAL 71 HB VAL 71 120.132 6.733 2.933 456 1HG1 VAL 71 1HG1 VAL 71 122.460 8.566 2.896 457 2HG1 VAL 71 2HG1 VAL 71 120.746 8.904 2.659 458 3HG1 VAL 71 3HG1 VAL 71 121.696 8.211 1.346 459 1HG2 VAL 71 1HG2 VAL 71 121.870 4.840 2.481 460 2HG2 VAL 71 2HG2 VAL 71 122.713 6.096 1.575 461 3HG2 VAL 71 3HG2 VAL 71 121.067 5.644 1.132 462 H LEU 72 H LEU 72 119.484 6.730 5.464 463 HA LEU 72 HA LEU 72 119.338 9.449 6.099 464 1HB LEU 72 1HB LEU 72 117.561 7.482 6.151 465 2HB LEU 72 2HB LEU 72 117.986 7.456 7.851 466 HG LEU 72 HG LEU 72 116.020 8.816 7.539 467 1HD1 LEU 72 1HD1 LEU 72 118.265 10.758 7.970 468 2HD1 LEU 72 2HD1 LEU 72 117.885 9.500 9.145 469 3HD1 LEU 72 3HD1 LEU 72 116.675 10.716 8.733 470 1HD2 LEU 72 1HD2 LEU 72 117.683 10.482 5.654 471 2HD2 LEU 72 2HD2 LEU 72 116.023 10.809 6.153 472 3HD2 LEU 72 3HD2 LEU 72 116.387 9.385 5.179 473 H SER 73 H SER 73 120.849 6.784 7.753 474 HA SER 73 HA SER 73 121.170 8.164 10.250 475 1HB SER 73 1HB SER 73 122.994 6.182 10.408 476 2HB SER 73 2HB SER 73 121.274 5.932 10.704 477 HG SER 73 HG SER 73 122.427 4.490 9.138 478 H VAL 74 H VAL 74 122.874 8.027 7.258 479 HA VAL 74 HA VAL 74 125.477 8.627 8.068 480 HB VAL 74 HB VAL 74 124.046 9.498 5.553 481 1HG1 VAL 74 1HG1 VAL 74 125.968 10.862 5.735 482 2HG1 VAL 74 2HG1 VAL 74 126.408 9.556 4.634 483 3HG1 VAL 74 3HG1 VAL 74 126.958 9.520 6.309 484 1HG2 VAL 74 1HG2 VAL 74 124.037 7.095 5.818 485 2HG2 VAL 74 2HG2 VAL 74 125.770 7.096 6.144 486 3HG2 VAL 74 3HG2 VAL 74 125.172 7.548 4.547 487 H LEU 75 H LEU 75 122.635 10.637 7.781 488 HA LEU 75 HA LEU 75 123.783 13.170 7.735 489 1HB LEU 75 1HB LEU 75 121.315 12.498 7.570 490 2HB LEU 75 2HB LEU 75 121.317 12.499 9.324 491 HG LEU 75 HG LEU 75 122.304 14.944 7.945 492 1HD1 LEU 75 1HD1 LEU 75 120.277 14.340 6.692 493 2HD1 LEU 75 2HD1 LEU 75 120.060 15.804 7.651 494 3HD1 LEU 75 3HD1 LEU 75 119.375 14.277 8.206 495 1HD2 LEU 75 1HD2 LEU 75 120.397 14.898 10.223 496 2HD2 LEU 75 2HD2 LEU 75 121.746 15.987 9.896 497 3HD2 LEU 75 3HD2 LEU 75 122.054 14.362 10.511 498 H LYS 76 H LYS 76 123.635 10.825 10.263 499 HA LYS 76 HA LYS 76 125.471 12.230 11.883 500 1HB LYS 76 1HB LYS 76 123.007 13.253 12.258 501 2HB LYS 76 2HB LYS 76 122.942 11.923 13.405 502 1HG LYS 76 1HG LYS 76 125.207 13.887 13.387 503 2HG LYS 76 2HG LYS 76 123.709 14.188 14.270 504 1HD LYS 76 1HD LYS 76 124.201 12.676 15.867 505 2HD LYS 76 2HD LYS 76 124.911 11.542 14.716 506 1HE LYS 76 1HE LYS 76 126.533 12.465 16.364 507 2HE LYS 76 2HE LYS 76 126.968 12.760 14.682 508 1HZ LYS 76 1HZ LYS 76 127.192 14.685 16.293 509 2HZ LYS 76 2HZ LYS 76 125.502 14.768 16.284 510 3HZ LYS 76 3HZ LYS 76 126.367 14.997 14.848 511 H GLY 77 H GLY 77 126.671 10.607 12.523 512 1HA GLY 77 1HA GLY 77 126.897 8.786 14.129 513 2HA GLY 77 2HA GLY 77 125.333 8.198 13.581 514 H GLU 78 H GLU 78 126.666 9.177 10.824 515 HA GLU 78 HA GLU 78 127.375 8.010 8.996 516 1HB GLU 78 1HB GLU 78 129.452 8.702 10.197 517 2HB GLU 78 2HB GLU 78 129.500 7.111 10.936 518 1HG GLU 78 1HG GLU 78 130.997 7.425 8.957 519 2HG GLU 78 2HG GLU 78 129.897 6.054 8.855 520 H GLU 79 H GLU 79 125.452 6.594 10.652 521 HA GLU 79 HA GLU 79 126.279 3.820 10.648 522 1HB GLU 79 1HB GLU 79 124.151 5.380 11.828 523 2HB GLU 79 2HB GLU 79 123.500 3.950 11.038 524 1HG GLU 79 1HG GLU 79 124.357 2.560 12.567 525 2HG GLU 79 2HG GLU 79 125.873 3.452 12.678 Start of MODEL 15 1 H THR 13 H THR 13 82.036 -17.874 0.927 2 HA THR 13 HA THR 13 80.504 -18.083 2.608 3 HB THR 13 HB THR 13 81.878 -20.718 3.169 4 HG1 THR 13 HG1 THR 13 80.315 -21.513 2.046 5 1HG2 THR 13 1HG2 THR 13 81.169 -19.624 5.270 6 2HG2 THR 13 2HG2 THR 13 80.300 -21.119 4.922 7 3HG2 THR 13 3HG2 THR 13 79.523 -19.561 4.639 8 H PHE 14 H PHE 14 83.154 -19.766 4.196 9 HA PHE 14 HA PHE 14 83.641 -17.494 5.884 10 1HB PHE 14 1HB PHE 14 85.420 -18.982 6.871 11 2HB PHE 14 2HB PHE 14 83.793 -19.653 6.906 12 HD1 PHE 14 HD1 PHE 14 87.061 -19.813 5.213 13 HD2 PHE 14 HD2 PHE 14 83.261 -21.650 5.754 14 HE1 PHE 14 HE1 PHE 14 87.875 -21.829 4.060 15 HE2 PHE 14 HE2 PHE 14 84.067 -23.669 4.603 16 HZ PHE 14 HZ PHE 14 86.377 -23.760 3.754 17 H LEU 15 H LEU 15 84.988 -18.811 2.992 18 HA LEU 15 HA LEU 15 87.471 -17.326 3.232 19 1HB LEU 15 1HB LEU 15 87.920 -18.257 0.954 20 2HB LEU 15 2HB LEU 15 87.673 -19.460 2.205 21 HG LEU 15 HG LEU 15 85.270 -18.702 0.659 22 1HD1 LEU 15 1HD1 LEU 15 86.400 -18.849 -1.295 23 2HD1 LEU 15 2HD1 LEU 15 86.192 -20.576 -1.006 24 3HD1 LEU 15 3HD1 LEU 15 87.715 -19.790 -0.593 25 1HD2 LEU 15 1HD2 LEU 15 85.830 -20.604 2.485 26 2HD2 LEU 15 2HD2 LEU 15 86.130 -21.497 0.994 27 3HD2 LEU 15 3HD2 LEU 15 84.557 -20.748 1.273 28 H THR 16 H THR 16 84.355 -17.036 1.710 29 HA THR 16 HA THR 16 85.101 -14.991 -0.144 30 HB THR 16 HB THR 16 82.362 -15.699 0.925 31 HG1 THR 16 HG1 THR 16 83.619 -17.393 -0.186 32 1HG2 THR 16 1HG2 THR 16 81.548 -14.096 -0.350 33 2HG2 THR 16 2HG2 THR 16 82.278 -14.860 -1.762 34 3HG2 THR 16 3HG2 THR 16 83.175 -13.643 -0.855 35 H GLN 17 H GLN 17 83.903 -15.056 3.152 36 HA GLN 17 HA GLN 17 83.189 -12.347 3.359 37 1HB GLN 17 1HB GLN 17 82.730 -12.841 5.512 38 2HB GLN 17 2HB GLN 17 83.049 -14.499 5.030 39 1HG GLN 17 1HG GLN 17 85.195 -14.476 5.967 40 2HG GLN 17 2HG GLN 17 85.218 -12.715 6.083 41 1HE2 GLN 17 1HE2 GLN 17 83.962 -15.667 7.452 42 2HE2 GLN 17 2HE2 GLN 17 83.468 -14.991 8.962 43 H VAL 18 H VAL 18 86.234 -14.004 4.196 44 HA VAL 18 HA VAL 18 87.640 -11.675 4.934 45 HB VAL 18 HB VAL 18 89.121 -13.920 3.647 46 1HG1 VAL 18 1HG1 VAL 18 90.594 -13.517 5.645 47 2HG1 VAL 18 2HG1 VAL 18 89.551 -12.152 6.039 48 3HG1 VAL 18 3HG1 VAL 18 90.449 -12.165 4.521 49 1HG2 VAL 18 1HG2 VAL 18 88.973 -14.958 6.080 50 2HG2 VAL 18 2HG2 VAL 18 87.801 -15.368 4.828 51 3HG2 VAL 18 3HG2 VAL 18 87.397 -14.169 6.057 52 H LYS 19 H LYS 19 87.080 -13.274 1.866 53 HA LYS 19 HA LYS 19 88.938 -11.946 0.280 54 1HB LYS 19 1HB LYS 19 86.736 -13.659 -0.139 55 2HB LYS 19 2HB LYS 19 86.439 -12.240 -1.134 56 1HG LYS 19 1HG LYS 19 87.677 -13.347 -2.638 57 2HG LYS 19 2HG LYS 19 89.035 -12.707 -1.710 58 1HD LYS 19 1HD LYS 19 89.015 -14.789 -0.353 59 2HD LYS 19 2HD LYS 19 87.758 -15.425 -1.415 60 1HE LYS 19 1HE LYS 19 89.622 -14.656 -3.227 61 2HE LYS 19 2HE LYS 19 90.647 -15.120 -1.869 62 1HZ LYS 19 1HZ LYS 19 88.962 -17.173 -1.934 63 2HZ LYS 19 2HZ LYS 19 90.422 -17.146 -2.788 64 3HZ LYS 19 3HZ LYS 19 88.975 -16.767 -3.577 65 H GLU 20 H GLU 20 86.019 -10.841 1.767 66 HA GLU 20 HA GLU 20 85.797 -8.463 0.137 67 1HB GLU 20 1HB GLU 20 84.460 -9.164 2.758 68 2HB GLU 20 2HB GLU 20 84.034 -7.812 1.718 69 1HG GLU 20 1HG GLU 20 84.006 -10.309 0.268 70 2HG GLU 20 2HG GLU 20 82.950 -10.363 1.677 71 H SER 21 H SER 21 87.400 -9.454 3.033 72 HA SER 21 HA SER 21 87.981 -6.732 3.870 73 1HB SER 21 1HB SER 21 87.856 -9.299 5.132 74 2HB SER 21 2HB SER 21 89.455 -8.609 5.385 75 HG SER 21 HG SER 21 88.603 -7.266 6.745 76 H LEU 22 H LEU 22 89.803 -9.671 2.918 77 HA LEU 22 HA LEU 22 92.331 -8.467 2.921 78 1HB LEU 22 1HB LEU 22 93.096 -10.338 1.652 79 2HB LEU 22 2HB LEU 22 91.903 -10.914 2.800 80 HG LEU 22 HG LEU 22 90.260 -10.623 0.760 81 1HD1 LEU 22 1HD1 LEU 22 92.981 -10.641 -0.471 82 2HD1 LEU 22 2HD1 LEU 22 91.553 -9.704 -0.913 83 3HD1 LEU 22 3HD1 LEU 22 91.633 -11.422 -1.298 84 1HD2 LEU 22 1HD2 LEU 22 92.086 -12.818 1.544 85 2HD2 LEU 22 2HD2 LEU 22 91.218 -13.000 0.019 86 3HD2 LEU 22 3HD2 LEU 22 90.323 -12.759 1.519 87 H SER 23 H SER 23 89.689 -8.049 0.827 88 HA SER 23 HA SER 23 91.392 -6.879 -1.261 89 1HB SER 23 1HB SER 23 88.433 -7.473 -1.438 90 2HB SER 23 2HB SER 23 89.530 -7.086 -2.763 91 HG SER 23 HG SER 23 90.046 -9.111 -2.861 92 H SER 24 H SER 24 89.453 -6.025 1.385 93 HA SER 24 HA SER 24 88.317 -3.624 0.402 94 1HB SER 24 1HB SER 24 87.921 -3.063 2.759 95 2HB SER 24 2HB SER 24 87.477 -4.737 2.431 96 HG SER 24 HG SER 24 89.941 -3.888 3.557 97 H TYR 25 H TYR 25 91.516 -4.416 1.058 98 HA TYR 25 HA TYR 25 92.224 -1.588 1.438 99 1HB TYR 25 1HB TYR 25 94.334 -2.332 2.381 100 2HB TYR 25 2HB TYR 25 93.009 -3.116 3.233 101 HD1 TYR 25 HD1 TYR 25 95.399 -3.703 0.425 102 HD2 TYR 25 HD2 TYR 25 93.074 -5.413 3.550 103 HE1 TYR 25 HE1 TYR 25 96.425 -5.893 -0.020 104 HE2 TYR 25 HE2 TYR 25 94.094 -7.608 3.114 105 HH TYR 25 HH TYR 25 95.230 -8.797 1.369 106 H TRP 26 H TRP 26 92.054 -4.016 -0.820 107 HA TRP 26 HA TRP 26 94.361 -3.090 -2.359 108 1HB TRP 26 1HB TRP 26 93.907 -5.539 -2.172 109 2HB TRP 26 2HB TRP 26 92.381 -5.287 -3.014 110 HD1 TRP 26 HD1 TRP 26 92.712 -4.151 -5.596 111 HE1 TRP 26 HE1 TRP 26 94.473 -4.779 -7.358 112 HE3 TRP 26 HE3 TRP 26 96.141 -6.399 -2.544 113 HZ2 TRP 26 HZ2 TRP 26 96.989 -6.063 -7.446 114 HZ3 TRP 26 HZ3 TRP 26 98.199 -7.302 -3.546 115 HH2 TRP 26 HH2 TRP 26 98.612 -7.137 -5.948 116 H GLU 27 H GLU 27 90.912 -2.900 -2.186 117 HA GLU 27 HA GLU 27 90.680 -1.696 -4.820 118 1HB GLU 27 1HB GLU 27 88.777 -2.636 -2.734 119 2HB GLU 27 2HB GLU 27 88.231 -1.350 -3.802 120 1HG GLU 27 1HG GLU 27 88.803 -2.791 -5.738 121 2HG GLU 27 2HG GLU 27 89.181 -4.088 -4.606 122 H SER 28 H SER 28 91.074 -0.771 -1.540 123 HA SER 28 HA SER 28 90.116 1.924 -1.887 124 1HB SER 28 1HB SER 28 90.241 0.463 0.294 125 2HB SER 28 2HB SER 28 91.891 1.069 0.368 126 HG SER 28 HG SER 28 91.143 3.115 0.587 127 H ALA 29 H ALA 29 93.202 0.259 -1.673 128 HA ALA 29 HA ALA 29 94.952 2.398 -1.677 129 1HB ALA 29 1HB ALA 29 95.512 -0.069 -1.532 130 2HB ALA 29 2HB ALA 29 96.614 0.923 -2.487 131 3HB ALA 29 3HB ALA 29 95.422 -0.097 -3.293 132 H LYS 30 H LYS 30 92.965 1.144 -4.245 133 HA LYS 30 HA LYS 30 94.285 2.754 -6.273 134 1HB LYS 30 1HB LYS 30 92.160 0.664 -6.257 135 2HB LYS 30 2HB LYS 30 92.169 1.814 -7.586 136 1HG LYS 30 1HG LYS 30 94.755 0.555 -6.930 137 2HG LYS 30 2HG LYS 30 93.517 -0.495 -7.623 138 1HD LYS 30 1HD LYS 30 94.366 0.256 -9.577 139 2HD LYS 30 2HD LYS 30 93.308 1.632 -9.263 140 1HE LYS 30 1HE LYS 30 95.446 2.450 -7.904 141 2HE LYS 30 2HE LYS 30 96.259 1.415 -9.076 142 1HZ LYS 30 1HZ LYS 30 96.215 3.315 -10.271 143 2HZ LYS 30 2HZ LYS 30 94.852 3.932 -9.482 144 3HZ LYS 30 3HZ LYS 30 94.672 2.766 -10.695 145 H THR 31 H THR 31 91.503 2.895 -4.180 146 HA THR 31 HA THR 31 90.170 4.966 -5.664 147 HB THR 31 HB THR 31 88.651 5.087 -3.766 148 HG1 THR 31 HG1 THR 31 89.061 3.852 -1.913 149 1HG2 THR 31 1HG2 THR 31 89.267 2.580 -5.067 150 2HG2 THR 31 2HG2 THR 31 87.707 3.307 -4.684 151 3HG2 THR 31 3HG2 THR 31 88.555 2.348 -3.472 152 H ALA 32 H ALA 32 92.496 4.799 -3.064 153 HA ALA 32 HA ALA 32 92.345 7.703 -2.685 154 1HB ALA 32 1HB ALA 32 94.188 6.088 -1.033 155 2HB ALA 32 2HB ALA 32 92.462 5.802 -0.810 156 3HB ALA 32 3HB ALA 32 93.125 7.420 -0.580 157 H ALA 33 H ALA 33 93.806 5.846 -4.822 158 HA ALA 33 HA ALA 33 96.511 6.888 -4.553 159 1HB ALA 33 1HB ALA 33 95.209 4.899 -6.375 160 2HB ALA 33 2HB ALA 33 96.563 4.677 -5.268 161 3HB ALA 33 3HB ALA 33 96.787 5.582 -6.765 162 H GLN 34 H GLN 34 93.864 6.987 -6.931 163 HA GLN 34 HA GLN 34 95.056 8.797 -8.698 164 1HB GLN 34 1HB GLN 34 92.749 7.387 -8.710 165 2HB GLN 34 2HB GLN 34 92.124 8.992 -8.362 166 1HG GLN 34 1HG GLN 34 92.032 8.975 -10.642 167 2HG GLN 34 2HG GLN 34 93.621 9.694 -10.382 168 1HE2 GLN 34 1HE2 GLN 34 91.905 6.780 -11.267 169 2HE2 GLN 34 2HE2 GLN 34 93.234 6.002 -12.051 170 H ASN 35 H ASN 35 93.641 9.280 -5.605 171 HA ASN 35 HA ASN 35 93.104 12.084 -5.929 172 1HB ASN 35 1HB ASN 35 92.087 10.335 -4.241 173 2HB ASN 35 2HB ASN 35 93.465 10.800 -3.252 174 1HD2 ASN 35 1HD2 ASN 35 90.489 11.851 -4.701 175 2HD2 ASN 35 2HD2 ASN 35 90.326 13.311 -3.792 176 H LEU 36 H LEU 36 95.365 10.334 -3.804 177 HA LEU 36 HA LEU 36 96.937 12.546 -3.141 178 1HB LEU 36 1HB LEU 36 98.556 10.984 -2.310 179 2HB LEU 36 2HB LEU 36 96.952 10.381 -1.942 180 HG LEU 36 HG LEU 36 97.292 9.031 -4.183 181 1HD1 LEU 36 1HD1 LEU 36 99.855 8.322 -3.958 182 2HD1 LEU 36 2HD1 LEU 36 99.993 10.017 -3.493 183 3HD1 LEU 36 3HD1 LEU 36 99.304 9.586 -5.058 184 1HD2 LEU 36 1HD2 LEU 36 97.045 8.235 -1.766 185 2HD2 LEU 36 2HD2 LEU 36 98.805 8.119 -1.756 186 3HD2 LEU 36 3HD2 LEU 36 97.864 7.158 -2.899 187 H TYR 37 H TYR 37 97.006 10.441 -5.925 188 HA TYR 37 HA TYR 37 99.582 11.131 -6.863 189 1HB TYR 37 1HB TYR 37 98.180 9.161 -7.612 190 2HB TYR 37 2HB TYR 37 97.239 10.297 -8.573 191 HD1 TYR 37 HD1 TYR 37 97.877 10.717 -10.762 192 HD2 TYR 37 HD2 TYR 37 100.765 9.196 -8.034 193 HE1 TYR 37 HE1 TYR 37 99.495 10.506 -12.602 194 HE2 TYR 37 HE2 TYR 37 102.392 8.982 -9.865 195 HH TYR 37 HH TYR 37 101.508 9.278 -13.154 196 H GLU 38 H GLU 38 96.705 12.907 -6.714 197 HA GLU 38 HA GLU 38 97.121 14.550 -9.023 198 1HB GLU 38 1HB GLU 38 95.365 14.909 -6.589 199 2HB GLU 38 2HB GLU 38 95.361 15.990 -7.976 200 1HG GLU 38 1HG GLU 38 95.016 13.526 -9.129 201 2HG GLU 38 2HG GLU 38 94.108 13.389 -7.623 202 H LYS 39 H LYS 39 98.060 14.637 -5.660 203 HA LYS 39 HA LYS 39 99.128 17.341 -5.934 204 1HB LYS 39 1HB LYS 39 97.922 16.095 -3.833 205 2HB LYS 39 2HB LYS 39 99.617 15.868 -3.430 206 1HG LYS 39 1HG LYS 39 98.918 18.586 -4.272 207 2HG LYS 39 2HG LYS 39 98.148 18.049 -2.779 208 1HD LYS 39 1HD LYS 39 101.015 17.427 -3.009 209 2HD LYS 39 2HD LYS 39 100.624 19.145 -2.917 210 1HE LYS 39 1HE LYS 39 99.665 17.046 -0.975 211 2HE LYS 39 2HE LYS 39 101.039 18.116 -0.703 212 1HZ LYS 39 1HZ LYS 39 98.196 18.681 -0.572 213 2HZ LYS 39 2HZ LYS 39 99.139 19.882 -1.300 214 3HZ LYS 39 3HZ LYS 39 99.481 19.380 0.278 215 H THR 40 H THR 40 100.228 14.790 -7.216 216 HA THR 40 HA THR 40 102.273 14.006 -7.817 217 HB THR 40 HB THR 40 103.744 16.050 -6.237 218 HG1 THR 40 HG1 THR 40 102.130 16.708 -8.473 219 1HG2 THR 40 1HG2 THR 40 103.898 15.119 -9.092 220 2HG2 THR 40 2HG2 THR 40 105.008 14.723 -7.780 221 3HG2 THR 40 3HG2 THR 40 104.914 16.377 -8.384 222 H TYR 41 H TYR 41 100.988 13.459 -5.085 223 HA TYR 41 HA TYR 41 101.475 12.419 -3.104 224 1HB TYR 41 1HB TYR 41 101.601 10.628 -4.733 225 2HB TYR 41 2HB TYR 41 103.288 10.999 -5.048 226 HD1 TYR 41 HD1 TYR 41 104.594 9.241 -4.300 227 HD2 TYR 41 HD2 TYR 41 101.356 10.564 -1.878 228 HE1 TYR 41 HE1 TYR 41 105.267 7.656 -2.544 229 HE2 TYR 41 HE2 TYR 41 102.021 8.983 -0.115 230 HH TYR 41 HH TYR 41 104.885 7.626 0.154 231 H LEU 42 H LEU 42 103.030 14.806 -3.538 232 HA LEU 42 HA LEU 42 105.437 14.109 -1.987 233 1HB LEU 42 1HB LEU 42 105.071 16.138 -4.173 234 2HB LEU 42 2HB LEU 42 106.375 16.274 -3.009 235 HG LEU 42 HG LEU 42 106.147 13.656 -4.357 236 1HD1 LEU 42 1HD1 LEU 42 107.414 15.853 -5.925 237 2HD1 LEU 42 2HD1 LEU 42 105.678 15.576 -6.067 238 3HD1 LEU 42 3HD1 LEU 42 106.812 14.284 -6.462 239 1HD2 LEU 42 1HD2 LEU 42 108.095 13.615 -3.257 240 2HD2 LEU 42 2HD2 LEU 42 108.163 15.371 -3.119 241 3HD2 LEU 42 3HD2 LEU 42 108.710 14.581 -4.597 242 HA PRO 43 HA PRO 43 102.735 17.305 0.224 243 1HB PRO 43 1HB PRO 43 101.742 15.791 2.211 244 2HB PRO 43 2HB PRO 43 100.962 15.876 0.627 245 1HG PRO 43 1HG PRO 43 102.782 13.768 1.728 246 2HG PRO 43 2HG PRO 43 101.276 13.576 0.813 247 1HD PRO 43 1HD PRO 43 103.747 13.370 -0.320 248 2HD PRO 43 2HD PRO 43 102.312 13.922 -1.206 249 H ALA 44 H ALA 44 105.030 17.942 0.595 250 HA ALA 44 HA ALA 44 106.705 18.556 2.014 251 1HB ALA 44 1HB ALA 44 104.996 17.423 4.221 252 2HB ALA 44 2HB ALA 44 104.775 19.028 3.524 253 3HB ALA 44 3HB ALA 44 106.273 18.630 4.362 254 H VAL 45 H VAL 45 106.314 15.664 0.991 255 HA VAL 45 HA VAL 45 107.472 13.892 2.816 256 HB VAL 45 HB VAL 45 106.438 13.007 0.858 257 1HG1 VAL 45 1HG1 VAL 45 107.437 13.345 -1.402 258 2HG1 VAL 45 2HG1 VAL 45 108.490 14.572 -0.698 259 3HG1 VAL 45 3HG1 VAL 45 106.742 14.803 -0.694 260 1HG2 VAL 45 1HG2 VAL 45 109.047 12.278 1.648 261 2HG2 VAL 45 2HG2 VAL 45 108.990 12.152 -0.110 262 3HG2 VAL 45 3HG2 VAL 45 107.823 11.271 0.874 263 H ASP 46 H ASP 46 108.862 16.272 0.676 264 HA ASP 46 HA ASP 46 111.565 15.385 0.980 265 1HB ASP 46 1HB ASP 46 110.608 18.121 0.121 266 2HB ASP 46 2HB ASP 46 112.178 17.391 -0.206 267 H GLU 47 H GLU 47 109.390 17.237 2.882 268 HA GLU 47 HA GLU 47 111.614 17.965 4.666 269 1HB GLU 47 1HB GLU 47 110.570 19.903 3.319 270 2HB GLU 47 2HB GLU 47 109.176 19.700 4.370 271 1HG GLU 47 1HG GLU 47 110.681 20.034 6.322 272 2HG GLU 47 2HG GLU 47 111.982 20.403 5.192 273 H LYS 48 H LYS 48 109.833 15.656 4.726 274 HA LYS 48 HA LYS 48 109.094 15.814 7.474 275 1HB LYS 48 1HB LYS 48 107.141 16.733 5.790 276 2HB LYS 48 2HB LYS 48 106.704 15.038 5.948 277 1HG LYS 48 1HG LYS 48 106.124 15.246 8.125 278 2HG LYS 48 2HG LYS 48 107.340 16.483 8.446 279 1HD LYS 48 1HD LYS 48 105.641 17.739 6.688 280 2HD LYS 48 2HD LYS 48 104.542 16.760 7.660 281 1HE LYS 48 1HE LYS 48 106.655 18.436 8.961 282 2HE LYS 48 2HE LYS 48 105.131 19.157 8.445 283 1HZ LYS 48 1HZ LYS 48 104.875 18.528 10.691 284 2HZ LYS 48 2HZ LYS 48 105.525 16.989 10.427 285 3HZ LYS 48 3HZ LYS 48 104.010 17.387 9.790 286 H LEU 49 H LEU 49 108.292 13.958 4.524 287 HA LEU 49 HA LEU 49 108.546 11.483 6.027 288 1HB LEU 49 1HB LEU 49 107.819 12.085 3.168 289 2HB LEU 49 2HB LEU 49 108.057 10.450 3.750 290 HG LEU 49 HG LEU 49 105.680 11.086 3.663 291 1HD1 LEU 49 1HD1 LEU 49 106.640 9.467 5.353 292 2HD1 LEU 49 2HD1 LEU 49 105.075 10.176 5.752 293 3HD1 LEU 49 3HD1 LEU 49 106.540 10.780 6.526 294 1HD2 LEU 49 1HD2 LEU 49 106.066 13.499 4.176 295 2HD2 LEU 49 2HD2 LEU 49 106.337 13.042 5.857 296 3HD2 LEU 49 3HD2 LEU 49 104.767 12.755 5.108 297 H ARG 50 H ARG 50 110.860 12.976 5.974 298 HA ARG 50 HA ARG 50 112.755 11.088 5.067 299 1HB ARG 50 1HB ARG 50 112.200 13.458 3.356 300 2HB ARG 50 2HB ARG 50 113.882 13.002 3.583 301 1HG ARG 50 1HG ARG 50 112.906 10.607 2.969 302 2HG ARG 50 2HG ARG 50 111.715 11.607 2.133 303 1HD ARG 50 1HD ARG 50 113.448 12.711 0.880 304 2HD ARG 50 2HD ARG 50 114.699 11.875 1.800 305 HE ARG 50 HE ARG 50 114.442 10.083 0.416 306 1HH1 ARG 50 1HH1 ARG 50 111.580 12.066 0.183 307 2HH1 ARG 50 2HH1 ARG 50 110.883 11.130 -1.095 308 1HH2 ARG 50 1HH2 ARG 50 113.528 8.851 -1.268 309 2HH2 ARG 50 2HH2 ARG 50 111.989 9.304 -1.920 310 H ASP 51 H ASP 51 111.977 14.284 6.294 311 HA ASP 51 HA ASP 51 114.659 14.599 7.402 312 1HB ASP 51 1HB ASP 51 113.349 16.507 6.328 313 2HB ASP 51 2HB ASP 51 112.324 16.478 7.760 314 H LEU 52 H LEU 52 111.430 13.743 8.365 315 HA LEU 52 HA LEU 52 112.089 13.930 11.196 316 1HB LEU 52 1HB LEU 52 109.624 13.607 9.605 317 2HB LEU 52 2HB LEU 52 109.641 12.775 11.147 318 HG LEU 52 HG LEU 52 110.454 15.635 11.128 319 1HD1 LEU 52 1HD1 LEU 52 107.794 14.637 10.331 320 2HD1 LEU 52 2HD1 LEU 52 108.592 16.170 9.971 321 3HD1 LEU 52 3HD1 LEU 52 107.820 15.924 11.537 322 1HD2 LEU 52 1HD2 LEU 52 109.897 15.562 13.323 323 2HD2 LEU 52 2HD2 LEU 52 110.196 13.840 13.087 324 3HD2 LEU 52 3HD2 LEU 52 108.545 14.460 13.059 325 H TYR 53 H TYR 53 113.181 11.903 9.121 326 HA TYR 53 HA TYR 53 112.538 9.469 10.637 327 1HB TYR 53 1HB TYR 53 112.523 9.965 7.859 328 2HB TYR 53 2HB TYR 53 113.917 8.937 8.168 329 HD1 TYR 53 HD1 TYR 53 113.233 6.872 7.285 330 HD2 TYR 53 HD2 TYR 53 110.659 8.953 9.957 331 HE1 TYR 53 HE1 TYR 53 111.756 4.908 7.384 332 HE2 TYR 53 HE2 TYR 53 109.176 6.995 10.064 333 HH TYR 53 HH TYR 53 109.449 4.362 7.908 334 H SER 54 H SER 54 115.137 11.323 9.125 335 HA SER 54 HA SER 54 117.371 11.428 9.516 336 1HB SER 54 1HB SER 54 116.655 10.216 12.197 337 2HB SER 54 2HB SER 54 118.147 11.073 11.805 338 HG SER 54 HG SER 54 117.134 12.844 12.253 339 H LYS 55 H LYS 55 116.909 9.475 7.890 340 HA LYS 55 HA LYS 55 117.701 7.513 7.043 341 1HB LYS 55 1HB LYS 55 119.844 8.604 7.990 342 2HB LYS 55 2HB LYS 55 119.698 7.428 9.289 343 1HG LYS 55 1HG LYS 55 120.440 5.751 8.014 344 2HG LYS 55 2HG LYS 55 119.482 6.260 6.621 345 1HD LYS 55 1HD LYS 55 121.634 6.585 5.852 346 2HD LYS 55 2HD LYS 55 121.234 8.187 6.474 347 1HE LYS 55 1HE LYS 55 123.354 7.792 7.340 348 2HE LYS 55 2HE LYS 55 122.285 7.361 8.674 349 1HZ LYS 55 1HZ LYS 55 122.976 5.209 6.846 350 2HZ LYS 55 2HZ LYS 55 122.836 5.196 8.532 351 3HZ LYS 55 3HZ LYS 55 124.242 5.794 7.805 352 H SER 56 H SER 56 115.752 7.609 9.392 353 HA SER 56 HA SER 56 116.057 5.501 11.138 354 1HB SER 56 1HB SER 56 113.802 7.014 10.044 355 2HB SER 56 2HB SER 56 113.369 5.368 10.504 356 HG SER 56 HG SER 56 113.911 7.504 12.074 357 H THR 57 H THR 57 114.891 5.437 7.807 358 HA THR 57 HA THR 57 115.560 2.608 7.659 359 HB THR 57 HB THR 57 112.924 3.537 6.566 360 HG1 THR 57 HG1 THR 57 113.310 2.317 9.093 361 1HG2 THR 57 1HG2 THR 57 113.458 0.793 7.563 362 2HG2 THR 57 2HG2 THR 57 114.119 1.277 6.001 363 3HG2 THR 57 3HG2 THR 57 112.379 1.344 6.281 364 H ALA 58 H ALA 58 116.441 5.293 6.571 365 HA ALA 58 HA ALA 58 115.958 5.088 3.731 366 1HB ALA 58 1HB ALA 58 116.860 7.160 3.568 367 2HB ALA 58 2HB ALA 58 118.155 6.804 4.713 368 3HB ALA 58 3HB ALA 58 116.538 7.193 5.302 369 H ALA 59 H ALA 59 118.608 4.514 5.987 370 HA ALA 59 HA ALA 59 120.432 3.626 3.962 371 1HB ALA 59 1HB ALA 59 120.612 3.144 6.930 372 2HB ALA 59 2HB ALA 59 121.123 4.637 6.143 373 3HB ALA 59 3HB ALA 59 121.926 3.116 5.754 374 H MET 60 H MET 60 117.833 2.203 5.684 375 HA MET 60 HA MET 60 118.806 -0.511 5.464 376 1HB MET 60 1HB MET 60 117.259 0.389 7.294 377 2HB MET 60 2HB MET 60 115.981 0.333 6.087 378 1HG MET 60 1HG MET 60 115.646 -1.707 6.966 379 2HG MET 60 2HG MET 60 116.920 -2.155 5.833 380 1HE MET 60 1HE MET 60 118.917 -4.200 8.074 381 2HE MET 60 2HE MET 60 119.388 -3.154 6.735 382 3HE MET 60 3HE MET 60 117.873 -4.055 6.661 383 H SER 61 H SER 61 116.863 1.694 3.612 384 HA SER 61 HA SER 61 115.976 -0.462 1.839 385 1HB SER 61 1HB SER 61 115.207 2.465 1.822 386 2HB SER 61 2HB SER 61 114.478 1.189 0.848 387 HG SER 61 HG SER 61 113.987 0.183 2.966 388 H THR 62 H THR 62 118.759 0.441 1.962 389 HA THR 62 HA THR 62 119.086 1.706 -0.660 390 HB THR 62 HB THR 62 121.569 1.217 0.704 391 HG1 THR 62 HG1 THR 62 121.213 2.024 2.630 392 1HG2 THR 62 1HG2 THR 62 121.582 3.773 0.738 393 2HG2 THR 62 2HG2 THR 62 120.085 3.656 -0.188 394 3HG2 THR 62 3HG2 THR 62 121.575 2.961 -0.827 395 H TYR 63 H TYR 63 119.212 -1.306 0.883 396 HA TYR 63 HA TYR 63 121.240 -2.710 -0.272 397 1HB TYR 63 1HB TYR 63 118.519 -3.384 0.650 398 2HB TYR 63 2HB TYR 63 119.257 -4.539 -0.450 399 HD1 TYR 63 HD1 TYR 63 119.476 -2.980 2.862 400 HD2 TYR 63 HD2 TYR 63 121.174 -5.853 0.223 401 HE1 TYR 63 HE1 TYR 63 120.745 -3.942 4.736 402 HE2 TYR 63 HE2 TYR 63 122.447 -6.824 2.090 403 HH TYR 63 HH TYR 63 122.397 -6.939 4.491 404 H THR 64 H THR 64 118.410 -1.417 -1.807 405 HA THR 64 HA THR 64 118.168 -2.912 -4.097 406 HB THR 64 HB THR 64 118.072 0.109 -4.015 407 HG1 THR 64 HG1 THR 64 116.478 -0.140 -2.700 408 1HG2 THR 64 1HG2 THR 64 117.868 -0.905 -6.261 409 2HG2 THR 64 2HG2 THR 64 116.421 -0.042 -5.737 410 3HG2 THR 64 3HG2 THR 64 116.463 -1.804 -5.684 411 H GLY 65 H GLY 65 120.747 -0.763 -3.173 412 1HA GLY 65 1HA GLY 65 121.930 -0.931 -5.857 413 2HA GLY 65 2HA GLY 65 122.442 0.155 -4.575 414 H ILE 66 H ILE 66 122.165 -2.415 -2.787 415 HA ILE 66 HA ILE 66 124.917 -3.286 -3.291 416 HB ILE 66 HB ILE 66 123.319 -3.915 -0.830 417 1HG1 ILE 66 1HG1 ILE 66 123.246 -1.490 -1.095 418 2HG1 ILE 66 2HG1 ILE 66 124.325 -1.922 0.228 419 1HG2 ILE 66 1HG2 ILE 66 125.270 -4.611 0.088 420 2HG2 ILE 66 2HG2 ILE 66 126.234 -3.423 -0.789 421 3HG2 ILE 66 3HG2 ILE 66 125.683 -4.885 -1.605 422 1HD1 ILE 66 1HD1 ILE 66 124.932 -0.155 -1.706 423 2HD1 ILE 66 2HD1 ILE 66 125.607 -1.630 -2.399 424 3HD1 ILE 66 3HD1 ILE 66 126.131 -1.084 -0.806 425 H PHE 67 H PHE 67 121.698 -4.347 -3.618 426 HA PHE 67 HA PHE 67 121.605 -6.988 -3.039 427 1HB PHE 67 1HB PHE 67 119.964 -5.409 -4.389 428 2HB PHE 67 2HB PHE 67 120.694 -6.212 -5.775 429 HD1 PHE 67 HD1 PHE 67 118.806 -6.787 -2.651 430 HD2 PHE 67 HD2 PHE 67 120.079 -8.399 -6.378 431 HE1 PHE 67 HE1 PHE 67 117.281 -8.692 -2.343 432 HE2 PHE 67 HE2 PHE 67 118.556 -10.307 -6.077 433 HZ PHE 67 HZ PHE 67 117.154 -10.456 -4.057 434 H THR 68 H THR 68 123.495 -5.503 -5.572 435 HA THR 68 HA THR 68 124.408 -8.148 -6.464 436 HB THR 68 HB THR 68 124.988 -5.510 -7.807 437 HG1 THR 68 HG1 THR 68 122.739 -5.789 -7.710 438 1HG2 THR 68 1HG2 THR 68 124.904 -8.312 -8.896 439 2HG2 THR 68 2HG2 THR 68 126.361 -7.383 -8.548 440 3HG2 THR 68 3HG2 THR 68 125.254 -6.846 -9.811 441 H ASP 69 H ASP 69 125.399 -5.245 -4.848 442 HA ASP 69 HA ASP 69 128.213 -5.659 -5.133 443 1HB ASP 69 1HB ASP 69 126.751 -4.032 -3.042 444 2HB ASP 69 2HB ASP 69 128.451 -3.895 -3.475 445 H GLN 70 H GLN 70 125.773 -6.556 -2.772 446 HA GLN 70 HA GLN 70 127.560 -7.510 -0.789 447 1HB GLN 70 1HB GLN 70 125.572 -8.668 0.127 448 2HB GLN 70 2HB GLN 70 125.269 -6.971 -0.217 449 1HG GLN 70 1HG GLN 70 123.519 -7.548 -1.431 450 2HG GLN 70 2HG GLN 70 124.585 -8.406 -2.542 451 1HE2 GLN 70 1HE2 GLN 70 122.151 -8.679 -0.201 452 2HE2 GLN 70 2HE2 GLN 70 122.095 -10.403 -0.108 453 H VAL 71 H VAL 71 126.150 -8.906 -3.666 454 HA VAL 71 HA VAL 71 126.921 -11.604 -3.030 455 HB VAL 71 HB VAL 71 125.994 -10.378 -5.627 456 1HG1 VAL 71 1HG1 VAL 71 127.209 -12.377 -6.133 457 2HG1 VAL 71 2HG1 VAL 71 125.489 -12.745 -6.258 458 3HG1 VAL 71 3HG1 VAL 71 126.399 -13.259 -4.837 459 1HG2 VAL 71 1HG2 VAL 71 123.884 -11.688 -5.006 460 2HG2 VAL 71 2HG2 VAL 71 124.209 -10.192 -4.130 461 3HG2 VAL 71 3HG2 VAL 71 124.559 -11.748 -3.378 462 H LEU 72 H LEU 72 128.125 -9.000 -5.098 463 HA LEU 72 HA LEU 72 130.196 -10.466 -6.328 464 1HB LEU 72 1HB LEU 72 129.645 -7.556 -5.908 465 2HB LEU 72 2HB LEU 72 131.203 -8.056 -6.538 466 HG LEU 72 HG LEU 72 128.704 -9.037 -7.859 467 1HD1 LEU 72 1HD1 LEU 72 128.196 -6.757 -7.843 468 2HD1 LEU 72 2HD1 LEU 72 128.993 -7.013 -9.395 469 3HD1 LEU 72 3HD1 LEU 72 129.882 -6.286 -8.057 470 1HD2 LEU 72 1HD2 LEU 72 131.584 -8.789 -8.477 471 2HD2 LEU 72 2HD2 LEU 72 130.461 -8.518 -9.809 472 3HD2 LEU 72 3HD2 LEU 72 130.429 -10.044 -8.925 473 H SER 73 H SER 73 129.943 -8.845 -3.254 474 HA SER 73 HA SER 73 132.769 -8.918 -2.711 475 1HB SER 73 1HB SER 73 130.363 -8.259 -1.010 476 2HB SER 73 2HB SER 73 132.010 -8.257 -0.379 477 HG SER 73 HG SER 73 132.494 -6.537 -1.593 478 H VAL 74 H VAL 74 130.106 -11.072 -2.349 479 HA VAL 74 HA VAL 74 130.936 -12.601 -0.167 480 HB VAL 74 HB VAL 74 129.307 -13.309 -2.591 481 1HG1 VAL 74 1HG1 VAL 74 130.317 -15.385 -1.982 482 2HG1 VAL 74 2HG1 VAL 74 128.674 -15.393 -1.341 483 3HG1 VAL 74 3HG1 VAL 74 130.037 -15.085 -0.266 484 1HG2 VAL 74 1HG2 VAL 74 127.812 -13.613 -0.286 485 2HG2 VAL 74 2HG2 VAL 74 127.782 -12.228 -1.377 486 3HG2 VAL 74 3HG2 VAL 74 128.822 -12.205 0.048 487 H LEU 75 H LEU 75 132.022 -12.535 -3.462 488 HA LEU 75 HA LEU 75 133.674 -14.906 -3.060 489 1HB LEU 75 1HB LEU 75 132.372 -13.988 -5.259 490 2HB LEU 75 2HB LEU 75 133.970 -13.318 -5.532 491 HG LEU 75 HG LEU 75 134.694 -15.826 -4.976 492 1HD1 LEU 75 1HD1 LEU 75 132.071 -16.253 -6.370 493 2HD1 LEU 75 2HD1 LEU 75 132.240 -16.396 -4.621 494 3HD1 LEU 75 3HD1 LEU 75 133.164 -17.455 -5.685 495 1HD2 LEU 75 1HD2 LEU 75 133.959 -14.416 -7.466 496 2HD2 LEU 75 2HD2 LEU 75 134.197 -16.159 -7.587 497 3HD2 LEU 75 3HD2 LEU 75 135.493 -15.132 -6.975 498 H LYS 76 H LYS 76 134.046 -12.287 -1.613 499 HA LYS 76 HA LYS 76 136.727 -12.210 -1.296 500 1HB LYS 76 1HB LYS 76 136.085 -11.083 -3.867 501 2HB LYS 76 2HB LYS 76 136.748 -9.829 -2.831 502 1HG LYS 76 1HG LYS 76 138.791 -10.583 -3.196 503 2HG LYS 76 2HG LYS 76 138.349 -12.152 -2.522 504 1HD LYS 76 1HD LYS 76 137.281 -11.908 -5.173 505 2HD LYS 76 2HD LYS 76 139.004 -11.528 -5.194 506 1HE LYS 76 1HE LYS 76 138.395 -13.852 -3.557 507 2HE LYS 76 2HE LYS 76 137.877 -14.053 -5.229 508 1HZ LYS 76 1HZ LYS 76 140.098 -13.526 -5.966 509 2HZ LYS 76 2HZ LYS 76 140.157 -14.809 -4.866 510 3HZ LYS 76 3HZ LYS 76 140.607 -13.255 -4.375 511 H GLY 77 H GLY 77 136.099 -11.723 0.703 512 1HA GLY 77 1HA GLY 77 136.172 -9.834 2.246 513 2HA GLY 77 2HA GLY 77 135.099 -8.983 1.134 514 H GLU 78 H GLU 78 133.894 -11.852 0.795 515 HA GLU 78 HA GLU 78 132.538 -12.202 3.289 516 1HB GLU 78 1HB GLU 78 131.392 -10.535 1.292 517 2HB GLU 78 2HB GLU 78 130.422 -11.992 1.417 518 1HG GLU 78 1HG GLU 78 131.147 -10.847 3.998 519 2HG GLU 78 2HG GLU 78 130.176 -9.777 2.988 520 H GLU 79 H GLU 79 134.210 -13.898 1.915 521 HA GLU 79 HA GLU 79 132.448 -15.874 0.656 522 1HB GLU 79 1HB GLU 79 134.875 -15.003 -0.147 523 2HB GLU 79 2HB GLU 79 135.359 -16.384 0.826 524 1HG GLU 79 1HG GLU 79 133.503 -16.395 -1.540 525 2HG GLU 79 2HG GLU 79 135.131 -17.067 -1.457 Start of MODEL 16 1 H THR 13 H THR 13 98.188 -21.040 4.519 2 HA THR 13 HA THR 13 98.079 -20.402 6.748 3 HB THR 13 HB THR 13 100.400 -22.236 6.121 4 HG1 THR 13 HG1 THR 13 98.850 -23.475 5.490 5 1HG2 THR 13 1HG2 THR 13 99.603 -21.345 8.662 6 2HG2 THR 13 2HG2 THR 13 100.712 -22.657 8.265 7 3HG2 THR 13 3HG2 THR 13 98.993 -22.989 8.482 8 H PHE 14 H PHE 14 101.565 -20.857 6.680 9 HA PHE 14 HA PHE 14 101.944 -18.609 8.418 10 1HB PHE 14 1HB PHE 14 103.334 -20.952 7.923 11 2HB PHE 14 2HB PHE 14 104.369 -19.718 7.214 12 HD1 PHE 14 HD1 PHE 14 106.028 -18.950 8.585 13 HD2 PHE 14 HD2 PHE 14 102.311 -20.101 10.309 14 HE1 PHE 14 HE1 PHE 14 106.898 -18.397 10.819 15 HE2 PHE 14 HE2 PHE 14 103.175 -19.550 12.547 16 HZ PHE 14 HZ PHE 14 105.470 -18.695 12.803 17 H LEU 15 H LEU 15 102.134 -19.213 5.020 18 HA LEU 15 HA LEU 15 103.714 -16.863 4.440 19 1HB LEU 15 1HB LEU 15 103.323 -17.437 2.096 20 2HB LEU 15 2HB LEU 15 103.916 -18.812 3.007 21 HG LEU 15 HG LEU 15 101.300 -19.312 3.209 22 1HD1 LEU 15 1HD1 LEU 15 101.257 -18.386 0.414 23 2HD1 LEU 15 2HD1 LEU 15 101.149 -17.126 1.644 24 3HD1 LEU 15 3HD1 LEU 15 99.970 -18.436 1.618 25 1HD2 LEU 15 1HD2 LEU 15 102.509 -20.034 0.594 26 2HD2 LEU 15 2HD2 LEU 15 101.685 -21.046 1.781 27 3HD2 LEU 15 3HD2 LEU 15 103.350 -20.536 2.061 28 H THR 16 H THR 16 100.348 -17.742 4.627 29 HA THR 16 HA THR 16 99.305 -15.540 3.171 30 HB THR 16 HB THR 16 97.865 -16.971 5.397 31 HG1 THR 16 HG1 THR 16 98.401 -17.879 2.771 32 1HG2 THR 16 1HG2 THR 16 97.005 -15.597 2.883 33 2HG2 THR 16 2HG2 THR 16 96.463 -15.326 4.539 34 3HG2 THR 16 3HG2 THR 16 95.985 -16.792 3.684 35 H GLN 17 H GLN 17 100.508 -15.904 6.397 36 HA GLN 17 HA GLN 17 99.170 -13.789 7.651 37 1HB GLN 17 1HB GLN 17 100.489 -14.266 9.419 38 2HB GLN 17 2HB GLN 17 100.997 -15.642 8.454 39 1HG GLN 17 1HG GLN 17 102.997 -14.599 7.815 40 2HG GLN 17 2HG GLN 17 102.432 -13.011 8.339 41 1HE2 GLN 17 1HE2 GLN 17 103.586 -12.376 10.008 42 2HE2 GLN 17 2HE2 GLN 17 104.042 -13.344 11.364 43 H VAL 18 H VAL 18 102.309 -13.830 5.960 44 HA VAL 18 HA VAL 18 102.849 -11.085 6.249 45 HB VAL 18 HB VAL 18 103.733 -12.470 3.763 46 1HG1 VAL 18 1HG1 VAL 18 105.168 -10.735 5.765 47 2HG1 VAL 18 2HG1 VAL 18 104.441 -10.181 4.257 48 3HG1 VAL 18 3HG1 VAL 18 105.810 -11.293 4.221 49 1HG2 VAL 18 1HG2 VAL 18 105.671 -13.303 5.421 50 2HG2 VAL 18 2HG2 VAL 18 104.283 -14.301 4.985 51 3HG2 VAL 18 3HG2 VAL 18 104.289 -13.415 6.510 52 H LYS 19 H LYS 19 101.028 -12.918 3.866 53 HA LYS 19 HA LYS 19 100.643 -10.929 1.955 54 1HB LYS 19 1HB LYS 19 98.718 -13.098 2.822 55 2HB LYS 19 2HB LYS 19 98.589 -12.164 1.337 56 1HG LYS 19 1HG LYS 19 101.030 -13.789 1.952 57 2HG LYS 19 2HG LYS 19 99.601 -14.505 1.203 58 1HD LYS 19 1HD LYS 19 99.900 -13.382 -0.762 59 2HD LYS 19 2HD LYS 19 100.664 -11.997 0.022 60 1HE LYS 19 1HE LYS 19 102.731 -13.120 0.210 61 2HE LYS 19 2HE LYS 19 102.005 -14.681 -0.171 62 1HZ LYS 19 1HZ LYS 19 101.410 -13.320 -2.372 63 2HZ LYS 19 2HZ LYS 19 102.831 -14.220 -2.198 64 3HZ LYS 19 3HZ LYS 19 102.855 -12.547 -1.950 65 H GLU 20 H GLU 20 99.345 -11.320 5.134 66 HA GLU 20 HA GLU 20 97.175 -9.448 4.756 67 1HB GLU 20 1HB GLU 20 98.354 -10.525 7.325 68 2HB GLU 20 2HB GLU 20 96.817 -9.689 7.156 69 1HG GLU 20 1HG GLU 20 97.291 -12.178 5.595 70 2HG GLU 20 2HG GLU 20 96.920 -12.293 7.314 71 H SER 21 H SER 21 100.519 -9.323 5.487 72 HA SER 21 HA SER 21 100.357 -6.622 6.582 73 1HB SER 21 1HB SER 21 102.109 -8.853 6.940 74 2HB SER 21 2HB SER 21 103.041 -7.485 6.343 75 HG SER 21 HG SER 21 101.885 -6.268 8.064 76 H LEU 22 H LEU 22 102.130 -8.407 4.020 77 HA LEU 22 HA LEU 22 103.273 -6.161 2.811 78 1HB LEU 22 1HB LEU 22 103.681 -7.542 0.902 79 2HB LEU 22 2HB LEU 22 103.894 -8.522 2.341 80 HG LEU 22 HG LEU 22 101.364 -9.151 1.858 81 1HD1 LEU 22 1HD1 LEU 22 102.408 -8.067 -0.718 82 2HD1 LEU 22 2HD1 LEU 22 100.803 -7.918 -0.003 83 3HD1 LEU 22 3HD1 LEU 22 101.306 -9.443 -0.731 84 1HD2 LEU 22 1HD2 LEU 22 102.383 -10.970 0.265 85 2HD2 LEU 22 2HD2 LEU 22 102.813 -10.925 1.975 86 3HD2 LEU 22 3HD2 LEU 22 103.911 -10.249 0.772 87 H SER 23 H SER 23 100.043 -7.255 2.859 88 HA SER 23 HA SER 23 99.311 -5.553 0.581 89 1HB SER 23 1HB SER 23 98.504 -8.051 0.994 90 2HB SER 23 2HB SER 23 97.301 -7.245 2.001 91 HG SER 23 HG SER 23 96.955 -5.879 0.055 92 H SER 24 H SER 24 99.328 -5.645 3.999 93 HA SER 24 HA SER 24 97.082 -3.903 4.389 94 1HB SER 24 1HB SER 24 97.513 -5.243 6.258 95 2HB SER 24 2HB SER 24 99.253 -4.972 6.169 96 HG SER 24 HG SER 24 97.260 -3.126 6.983 97 H TYR 25 H TYR 25 100.120 -3.393 3.162 98 HA TYR 25 HA TYR 25 100.213 -0.621 4.128 99 1HB TYR 25 1HB TYR 25 102.240 -2.459 4.055 100 2HB TYR 25 2HB TYR 25 102.488 -1.609 2.534 101 HD1 TYR 25 HD1 TYR 25 104.200 -0.078 2.730 102 HD2 TYR 25 HD2 TYR 25 101.467 -0.511 5.962 103 HE1 TYR 25 HE1 TYR 25 105.340 1.739 3.931 104 HE2 TYR 25 HE2 TYR 25 102.599 1.306 7.171 105 HH TYR 25 HH TYR 25 104.021 3.206 6.730 106 H TRP 26 H TRP 26 99.406 -2.565 1.490 107 HA TRP 26 HA TRP 26 99.854 -0.471 -0.491 108 1HB TRP 26 1HB TRP 26 100.291 -2.858 -1.074 109 2HB TRP 26 2HB TRP 26 98.582 -3.200 -0.829 110 HD1 TRP 26 HD1 TRP 26 96.855 -2.035 -2.615 111 HE1 TRP 26 HE1 TRP 26 97.211 -1.404 -5.082 112 HE3 TRP 26 HE3 TRP 26 101.966 -2.061 -2.729 113 HZ2 TRP 26 HZ2 TRP 26 99.373 -0.973 -6.846 114 HZ3 TRP 26 HZ3 TRP 26 103.102 -1.528 -4.846 115 HH2 TRP 26 HH2 TRP 26 101.830 -0.996 -6.862 116 H GLU 27 H GLU 27 97.338 -1.996 1.369 117 HA GLU 27 HA GLU 27 95.210 -0.610 -0.016 118 1HB GLU 27 1HB GLU 27 95.256 -2.937 1.369 119 2HB GLU 27 2HB GLU 27 94.673 -1.846 2.618 120 1HG GLU 27 1HG GLU 27 92.660 -1.649 1.675 121 2HG GLU 27 2HG GLU 27 93.326 -1.523 0.048 122 H SER 28 H SER 28 97.333 -0.046 2.612 123 HA SER 28 HA SER 28 95.667 1.888 3.943 124 1HB SER 28 1HB SER 28 97.603 0.423 4.921 125 2HB SER 28 2HB SER 28 98.638 1.704 4.303 126 HG SER 28 HG SER 28 97.435 1.711 6.580 127 H ALA 29 H ALA 29 98.476 1.918 1.821 128 HA ALA 29 HA ALA 29 99.041 4.613 1.720 129 1HB ALA 29 1HB ALA 29 99.080 3.252 -0.895 130 2HB ALA 29 2HB ALA 29 99.971 2.451 0.398 131 3HB ALA 29 3HB ALA 29 100.361 4.112 -0.043 132 H LYS 30 H LYS 30 96.403 2.846 0.268 133 HA LYS 30 HA LYS 30 95.480 5.163 -1.227 134 1HB LYS 30 1HB LYS 30 94.118 2.487 -0.878 135 2HB LYS 30 2HB LYS 30 93.755 3.709 -2.089 136 1HG LYS 30 1HG LYS 30 96.178 3.358 -2.870 137 2HG LYS 30 2HG LYS 30 96.112 1.874 -1.919 138 1HD LYS 30 1HD LYS 30 93.949 2.489 -3.891 139 2HD LYS 30 2HD LYS 30 95.484 1.816 -4.443 140 1HE LYS 30 1HE LYS 30 95.141 0.015 -2.674 141 2HE LYS 30 2HE LYS 30 93.486 0.608 -2.552 142 1HZ LYS 30 1HZ LYS 30 93.312 -1.071 -4.097 143 2HZ LYS 30 2HZ LYS 30 94.808 -0.737 -4.812 144 3HZ LYS 30 3HZ LYS 30 93.490 0.283 -5.097 145 H THR 31 H THR 31 94.821 3.465 1.747 146 HA THR 31 HA THR 31 92.287 4.700 2.237 147 HB THR 31 HB THR 31 94.200 3.345 4.150 148 HG1 THR 31 HG1 THR 31 92.041 2.395 2.597 149 1HG2 THR 31 1HG2 THR 31 92.462 3.132 5.697 150 2HG2 THR 31 2HG2 THR 31 91.248 3.672 4.537 151 3HG2 THR 31 3HG2 THR 31 92.418 4.820 5.187 152 H ALA 32 H ALA 32 95.617 5.512 2.833 153 HA ALA 32 HA ALA 32 94.788 7.854 4.408 154 1HB ALA 32 1HB ALA 32 96.519 6.179 5.295 155 2HB ALA 32 2HB ALA 32 96.900 7.898 5.398 156 3HB ALA 32 3HB ALA 32 97.620 6.910 4.126 157 H ALA 33 H ALA 33 94.858 7.389 1.365 158 HA ALA 33 HA ALA 33 96.718 9.523 0.609 159 1HB ALA 33 1HB ALA 33 95.800 8.782 -1.750 160 2HB ALA 33 2HB ALA 33 95.365 7.319 -0.866 161 3HB ALA 33 3HB ALA 33 97.046 7.849 -0.920 162 H GLN 34 H GLN 34 93.309 8.594 0.176 163 HA GLN 34 HA GLN 34 92.485 11.004 -1.016 164 1HB GLN 34 1HB GLN 34 91.259 8.713 -0.802 165 2HB GLN 34 2HB GLN 34 90.660 9.369 0.714 166 1HG GLN 34 1HG GLN 34 90.134 11.414 -0.986 167 2HG GLN 34 2HG GLN 34 89.931 10.021 -2.046 168 1HE2 GLN 34 1HE2 GLN 34 88.878 8.144 -0.443 169 2HE2 GLN 34 2HE2 GLN 34 87.344 8.649 0.170 170 H ASN 35 H ASN 35 93.257 10.207 2.226 171 HA ASN 35 HA ASN 35 91.706 12.229 3.512 172 1HB ASN 35 1HB ASN 35 92.857 10.055 4.464 173 2HB ASN 35 2HB ASN 35 94.222 11.136 4.702 174 1HD2 ASN 35 1HD2 ASN 35 90.705 11.407 5.098 175 2HD2 ASN 35 2HD2 ASN 35 90.763 12.004 6.718 176 H LEU 36 H LEU 36 95.226 11.905 3.063 177 HA LEU 36 HA LEU 36 95.761 14.621 3.697 178 1HB LEU 36 1HB LEU 36 97.613 13.010 1.990 179 2HB LEU 36 2HB LEU 36 97.992 14.160 3.257 180 HG LEU 36 HG LEU 36 96.966 11.350 3.622 181 1HD1 LEU 36 1HD1 LEU 36 99.192 11.035 3.297 182 2HD1 LEU 36 2HD1 LEU 36 99.224 11.435 5.015 183 3HD1 LEU 36 3HD1 LEU 36 99.613 12.667 3.814 184 1HD2 LEU 36 1HD2 LEU 36 96.964 11.712 5.965 185 2HD2 LEU 36 2HD2 LEU 36 96.036 13.030 5.251 186 3HD2 LEU 36 3HD2 LEU 36 97.692 13.308 5.788 187 H TYR 37 H TYR 37 95.207 12.885 0.701 188 HA TYR 37 HA TYR 37 96.009 14.831 -1.126 189 1HB TYR 37 1HB TYR 37 95.498 12.587 -1.859 190 2HB TYR 37 2HB TYR 37 93.827 12.750 -1.334 191 HD1 TYR 37 HD1 TYR 37 92.529 12.572 -3.251 192 HD2 TYR 37 HD2 TYR 37 95.968 15.075 -3.317 193 HE1 TYR 37 HE1 TYR 37 91.900 13.366 -5.491 194 HE2 TYR 37 HE2 TYR 37 95.348 15.878 -5.557 195 HH TYR 37 HH TYR 37 92.946 14.375 -7.449 196 H GLU 38 H GLU 38 93.312 14.769 0.977 197 HA GLU 38 HA GLU 38 91.818 16.749 -0.539 198 1HB GLU 38 1HB GLU 38 90.607 14.954 0.626 199 2HB GLU 38 2HB GLU 38 91.254 15.512 2.162 200 1HG GLU 38 1HG GLU 38 89.206 16.494 2.215 201 2HG GLU 38 2HG GLU 38 90.135 17.775 1.439 202 H LYS 39 H LYS 39 93.985 16.567 2.177 203 HA LYS 39 HA LYS 39 93.511 19.404 2.767 204 1HB LYS 39 1HB LYS 39 93.426 17.521 4.569 205 2HB LYS 39 2HB LYS 39 95.179 17.609 4.488 206 1HG LYS 39 1HG LYS 39 94.604 20.218 4.769 207 2HG LYS 39 2HG LYS 39 93.236 19.505 5.627 208 1HD LYS 39 1HD LYS 39 94.526 18.759 7.321 209 2HD LYS 39 2HD LYS 39 95.859 18.325 6.248 210 1HE LYS 39 1HE LYS 39 96.733 20.484 6.259 211 2HE LYS 39 2HE LYS 39 95.215 21.196 6.808 212 1HZ LYS 39 1HZ LYS 39 96.318 21.219 8.759 213 2HZ LYS 39 2HZ LYS 39 97.339 19.935 8.348 214 3HZ LYS 39 3HZ LYS 39 95.759 19.626 8.865 215 H THR 40 H THR 40 95.380 17.771 0.773 216 HA THR 40 HA THR 40 97.541 19.718 0.971 217 HB THR 40 HB THR 40 98.342 16.890 0.455 218 HG1 THR 40 HG1 THR 40 98.081 17.970 3.060 219 1HG2 THR 40 1HG2 THR 40 99.746 19.229 0.613 220 2HG2 THR 40 2HG2 THR 40 100.419 17.607 0.791 221 3HG2 THR 40 3HG2 THR 40 99.965 18.536 2.221 222 H TYR 41 H TYR 41 95.249 18.361 -0.888 223 HA TYR 41 HA TYR 41 94.922 17.963 -3.111 224 1HB TYR 41 1HB TYR 41 94.910 20.383 -2.963 225 2HB TYR 41 2HB TYR 41 96.655 20.428 -3.153 226 HD1 TYR 41 HD1 TYR 41 97.347 21.166 -5.224 227 HD2 TYR 41 HD2 TYR 41 93.781 18.860 -4.972 228 HE1 TYR 41 HE1 TYR 41 97.074 21.334 -7.662 229 HE2 TYR 41 HE2 TYR 41 93.498 19.021 -7.410 230 HH TYR 41 HH TYR 41 94.854 19.424 -9.399 231 H LEU 42 H LEU 42 97.197 16.548 -1.998 232 HA LEU 42 HA LEU 42 98.980 15.285 -2.642 233 1HB LEU 42 1HB LEU 42 97.207 15.494 -4.956 234 2HB LEU 42 2HB LEU 42 98.863 15.111 -5.388 235 HG LEU 42 HG LEU 42 97.256 13.544 -3.371 236 1HD1 LEU 42 1HD1 LEU 42 97.503 11.875 -5.453 237 2HD1 LEU 42 2HD1 LEU 42 97.378 13.408 -6.317 238 3HD1 LEU 42 3HD1 LEU 42 96.100 12.915 -5.207 239 1HD2 LEU 42 1HD2 LEU 42 99.662 13.371 -3.080 240 2HD2 LEU 42 2HD2 LEU 42 99.857 12.973 -4.787 241 3HD2 LEU 42 3HD2 LEU 42 99.008 11.861 -3.714 242 HA PRO 43 HA PRO 43 101.771 18.779 -3.509 243 1HB PRO 43 1HB PRO 43 104.013 17.383 -2.687 244 2HB PRO 43 2HB PRO 43 102.989 18.362 -1.634 245 1HG PRO 43 1HG PRO 43 103.004 15.406 -2.053 246 2HG PRO 43 2HG PRO 43 102.773 16.328 -0.556 247 1HD PRO 43 1HD PRO 43 100.709 15.208 -1.859 248 2HD PRO 43 2HD PRO 43 100.547 16.764 -1.019 249 H ALA 44 H ALA 44 103.556 15.745 -3.918 250 HA ALA 44 HA ALA 44 103.355 15.767 -6.778 251 1HB ALA 44 1HB ALA 44 105.463 17.287 -5.523 252 2HB ALA 44 2HB ALA 44 105.007 17.185 -7.223 253 3HB ALA 44 3HB ALA 44 106.119 16.002 -6.536 254 H VAL 45 H VAL 45 103.176 13.957 -4.371 255 HA VAL 45 HA VAL 45 105.318 12.085 -4.619 256 HB VAL 45 HB VAL 45 104.189 12.114 -2.539 257 1HG1 VAL 45 1HG1 VAL 45 101.675 11.271 -2.619 258 2HG1 VAL 45 2HG1 VAL 45 101.739 12.032 -4.208 259 3HG1 VAL 45 3HG1 VAL 45 102.095 12.979 -2.763 260 1HG2 VAL 45 1HG2 VAL 45 102.883 9.637 -3.247 261 2HG2 VAL 45 2HG2 VAL 45 104.320 9.910 -2.263 262 3HG2 VAL 45 3HG2 VAL 45 104.465 9.766 -4.014 263 H ASP 46 H ASP 46 102.267 12.592 -6.187 264 HA ASP 46 HA ASP 46 102.226 9.982 -7.427 265 1HB ASP 46 1HB ASP 46 100.256 10.912 -8.665 266 2HB ASP 46 2HB ASP 46 100.093 10.972 -6.913 267 H GLU 47 H GLU 47 103.816 12.916 -7.993 268 HA GLU 47 HA GLU 47 104.331 12.103 -10.776 269 1HB GLU 47 1HB GLU 47 104.626 14.597 -11.238 270 2HB GLU 47 2HB GLU 47 102.982 14.004 -11.041 271 1HG GLU 47 1HG GLU 47 103.224 14.724 -8.594 272 2HG GLU 47 2HG GLU 47 104.629 15.635 -9.147 273 H LYS 48 H LYS 48 105.727 12.206 -7.875 274 HA LYS 48 HA LYS 48 108.366 12.568 -9.034 275 1HB LYS 48 1HB LYS 48 107.577 14.076 -6.540 276 2HB LYS 48 2HB LYS 48 109.149 14.094 -7.325 277 1HG LYS 48 1HG LYS 48 106.613 15.089 -8.602 278 2HG LYS 48 2HG LYS 48 107.773 16.111 -7.753 279 1HD LYS 48 1HD LYS 48 109.394 15.849 -9.379 280 2HD LYS 48 2HD LYS 48 108.713 14.328 -9.959 281 1HE LYS 48 1HE LYS 48 106.717 15.704 -10.734 282 2HE LYS 48 2HE LYS 48 107.721 17.124 -10.445 283 1HZ LYS 48 1HZ LYS 48 109.373 16.148 -11.981 284 2HZ LYS 48 2HZ LYS 48 107.899 16.503 -12.730 285 3HZ LYS 48 3HZ LYS 48 108.281 14.904 -12.334 286 H LEU 49 H LEU 49 106.874 12.180 -5.801 287 HA LEU 49 HA LEU 49 108.943 10.471 -4.887 288 1HB LEU 49 1HB LEU 49 107.001 11.873 -3.658 289 2HB LEU 49 2HB LEU 49 106.291 10.272 -3.599 290 HG LEU 49 HG LEU 49 108.365 9.447 -2.488 291 1HD1 LEU 49 1HD1 LEU 49 110.152 10.744 -2.049 292 2HD1 LEU 49 2HD1 LEU 49 109.174 12.184 -1.766 293 3HD1 LEU 49 3HD1 LEU 49 109.548 11.681 -3.415 294 1HD2 LEU 49 1HD2 LEU 49 107.854 10.406 -0.315 295 2HD2 LEU 49 2HD2 LEU 49 106.369 10.074 -1.206 296 3HD2 LEU 49 3HD2 LEU 49 106.973 11.726 -1.085 297 H ARG 50 H ARG 50 106.275 9.890 -6.914 298 HA ARG 50 HA ARG 50 106.794 7.016 -6.753 299 1HB ARG 50 1HB ARG 50 104.617 7.977 -5.499 300 2HB ARG 50 2HB ARG 50 103.953 7.779 -7.115 301 1HG ARG 50 1HG ARG 50 105.123 5.402 -6.869 302 2HG ARG 50 2HG ARG 50 104.839 5.744 -5.162 303 1HD ARG 50 1HD ARG 50 102.448 6.439 -6.212 304 2HD ARG 50 2HD ARG 50 102.927 5.160 -7.326 305 HE ARG 50 HE ARG 50 103.251 4.419 -4.580 306 1HH1 ARG 50 1HH1 ARG 50 100.947 4.663 -7.191 307 2HH1 ARG 50 2HH1 ARG 50 99.901 3.443 -6.547 308 1HH2 ARG 50 1HH2 ARG 50 101.875 2.814 -3.733 309 2HH2 ARG 50 2HH2 ARG 50 100.427 2.394 -4.584 310 H ASP 51 H ASP 51 107.121 9.470 -8.648 311 HA ASP 51 HA ASP 51 106.376 7.972 -11.045 312 1HB ASP 51 1HB ASP 51 104.768 9.991 -10.264 313 2HB ASP 51 2HB ASP 51 105.941 10.897 -11.214 314 H LEU 52 H LEU 52 108.787 9.356 -9.365 315 HA LEU 52 HA LEU 52 110.169 10.479 -11.688 316 1HB LEU 52 1HB LEU 52 110.048 11.567 -9.326 317 2HB LEU 52 2HB LEU 52 111.294 10.406 -8.912 318 HG LEU 52 HG LEU 52 112.769 11.330 -10.616 319 1HD1 LEU 52 1HD1 LEU 52 111.285 12.019 -12.319 320 2HD1 LEU 52 2HD1 LEU 52 112.061 13.485 -11.723 321 3HD1 LEU 52 3HD1 LEU 52 110.414 13.096 -11.227 322 1HD2 LEU 52 1HD2 LEU 52 111.556 13.356 -8.745 323 2HD2 LEU 52 2HD2 LEU 52 113.054 13.612 -9.639 324 3HD2 LEU 52 3HD2 LEU 52 112.949 12.316 -8.447 325 H TYR 53 H TYR 53 109.663 7.524 -10.933 326 HA TYR 53 HA TYR 53 112.438 6.667 -11.367 327 1HB TYR 53 1HB TYR 53 111.016 6.193 -9.044 328 2HB TYR 53 2HB TYR 53 110.792 4.708 -9.961 329 HD1 TYR 53 HD1 TYR 53 112.420 5.401 -7.319 330 HD2 TYR 53 HD2 TYR 53 113.474 4.704 -11.382 331 HE1 TYR 53 HE1 TYR 53 114.647 4.641 -6.605 332 HE2 TYR 53 HE2 TYR 53 115.702 3.941 -10.678 333 HH TYR 53 HH TYR 53 117.178 4.546 -8.262 334 H SER 54 H SER 54 109.094 5.468 -11.406 335 HA SER 54 HA SER 54 107.971 4.118 -12.851 336 1HB SER 54 1HB SER 54 109.687 5.806 -14.609 337 2HB SER 54 2HB SER 54 108.829 4.452 -15.344 338 HG SER 54 HG SER 54 106.896 5.331 -14.648 339 H LYS 55 H LYS 55 110.040 2.854 -11.477 340 HA LYS 55 HA LYS 55 111.279 0.942 -11.456 341 1HB LYS 55 1HB LYS 55 109.483 0.455 -13.823 342 2HB LYS 55 2HB LYS 55 110.663 -0.740 -13.301 343 1HG LYS 55 1HG LYS 55 108.839 -1.476 -12.164 344 2HG LYS 55 2HG LYS 55 109.500 -0.363 -10.965 345 1HD LYS 55 1HD LYS 55 107.340 0.363 -10.971 346 2HD LYS 55 2HD LYS 55 107.967 1.360 -12.285 347 1HE LYS 55 1HE LYS 55 106.212 0.525 -13.422 348 2HE LYS 55 2HE LYS 55 107.270 -0.868 -13.645 349 1HZ LYS 55 1HZ LYS 55 105.514 -1.952 -12.784 350 2HZ LYS 55 2HZ LYS 55 104.895 -0.589 -11.997 351 3HZ LYS 55 3HZ LYS 55 106.166 -1.462 -11.302 352 H SER 56 H SER 56 112.071 3.359 -13.199 353 HA SER 56 HA SER 56 113.504 2.507 -15.432 354 1HB SER 56 1HB SER 56 113.176 4.858 -15.084 355 2HB SER 56 2HB SER 56 114.002 4.802 -13.528 356 HG SER 56 HG SER 56 115.044 5.203 -15.950 357 H THR 57 H THR 57 114.633 2.976 -12.102 358 HA THR 57 HA THR 57 116.560 0.832 -12.460 359 HB THR 57 HB THR 57 117.490 3.475 -11.362 360 HG1 THR 57 HG1 THR 57 117.565 2.523 -14.020 361 1HG2 THR 57 1HG2 THR 57 118.854 0.950 -12.186 362 2HG2 THR 57 2HG2 THR 57 119.013 1.871 -10.690 363 3HG2 THR 57 3HG2 THR 57 119.713 2.490 -12.186 364 H ALA 58 H ALA 58 114.086 1.507 -10.882 365 HA ALA 58 HA ALA 58 114.907 1.724 -8.148 366 1HB ALA 58 1HB ALA 58 112.568 1.288 -7.618 367 2HB ALA 58 2HB ALA 58 112.260 0.831 -9.293 368 3HB ALA 58 3HB ALA 58 112.701 2.493 -8.898 369 H ALA 59 H ALA 59 113.727 -0.909 -10.212 370 HA ALA 59 HA ALA 59 114.017 -2.918 -8.207 371 1HB ALA 59 1HB ALA 59 114.067 -3.659 -11.080 372 2HB ALA 59 2HB ALA 59 112.624 -2.854 -10.465 373 3HB ALA 59 3HB ALA 59 113.165 -4.369 -9.742 374 H MET 60 H MET 60 116.155 -1.429 -10.491 375 HA MET 60 HA MET 60 118.135 -3.547 -10.301 376 1HB MET 60 1HB MET 60 117.560 -1.835 -12.298 377 2HB MET 60 2HB MET 60 118.843 -0.931 -11.504 378 1HG MET 60 1HG MET 60 120.447 -2.444 -12.055 379 2HG MET 60 2HG MET 60 119.322 -3.800 -12.071 380 1HE MET 60 1HE MET 60 119.817 -4.981 -13.948 381 2HE MET 60 2HE MET 60 121.181 -4.102 -14.638 382 3HE MET 60 3HE MET 60 119.774 -4.473 -15.636 383 H SER 61 H SER 61 117.365 -0.552 -8.772 384 HA SER 61 HA SER 61 119.851 -0.737 -7.208 385 1HB SER 61 1HB SER 61 119.616 1.249 -8.894 386 2HB SER 61 2HB SER 61 118.513 1.908 -7.686 387 HG SER 61 HG SER 61 120.244 1.666 -6.157 388 H THR 62 H THR 62 117.619 -2.060 -6.405 389 HA THR 62 HA THR 62 116.205 -0.389 -4.493 390 HB THR 62 HB THR 62 115.557 -3.161 -4.235 391 HG1 THR 62 HG1 THR 62 115.937 -3.756 -6.218 392 1HG2 THR 62 1HG2 THR 62 113.863 -1.136 -5.641 393 2HG2 THR 62 2HG2 THR 62 114.098 -1.095 -3.894 394 3HG2 THR 62 3HG2 THR 62 113.366 -2.509 -4.652 395 H TYR 63 H TYR 63 118.908 -2.444 -4.621 396 HA TYR 63 HA TYR 63 119.024 -3.715 -2.207 397 1HB TYR 63 1HB TYR 63 121.029 -2.554 -4.039 398 2HB TYR 63 2HB TYR 63 121.573 -2.835 -2.392 399 HD1 TYR 63 HD1 TYR 63 119.466 -4.701 -4.858 400 HD2 TYR 63 HD2 TYR 63 122.736 -4.804 -2.139 401 HE1 TYR 63 HE1 TYR 63 119.821 -7.076 -5.386 402 HE2 TYR 63 HE2 TYR 63 123.101 -7.180 -2.660 403 HH TYR 63 HH TYR 63 121.595 -9.123 -3.547 404 H THR 64 H THR 64 119.163 -0.314 -2.850 405 HA THR 64 HA THR 64 120.405 0.724 -0.628 406 HB THR 64 HB THR 64 117.843 1.792 -1.833 407 HG1 THR 64 HG1 THR 64 118.969 2.127 -3.549 408 1HG2 THR 64 1HG2 THR 64 119.135 3.991 -1.349 409 2HG2 THR 64 2HG2 THR 64 119.976 3.008 -0.150 410 3HG2 THR 64 3HG2 THR 64 118.224 3.198 -0.064 411 H GLY 65 H GLY 65 117.338 -0.915 -0.849 412 1HA GLY 65 1HA GLY 65 116.387 -0.068 1.731 413 2HA GLY 65 2HA GLY 65 115.704 -1.340 0.730 414 H ILE 66 H ILE 66 118.455 -2.602 0.563 415 HA ILE 66 HA ILE 66 118.312 -3.957 3.167 416 HB ILE 66 HB ILE 66 119.749 -5.004 0.751 417 1HG1 ILE 66 1HG1 ILE 66 117.403 -4.536 0.118 418 2HG1 ILE 66 2HG1 ILE 66 117.750 -6.262 0.144 419 1HG2 ILE 66 1HG2 ILE 66 119.571 -7.121 1.821 420 2HG2 ILE 66 2HG2 ILE 66 118.459 -6.483 3.031 421 3HG2 ILE 66 3HG2 ILE 66 120.147 -5.974 3.029 422 1HD1 ILE 66 1HD1 ILE 66 115.954 -4.660 1.844 423 2HD1 ILE 66 2HD1 ILE 66 116.831 -5.971 2.634 424 3HD1 ILE 66 3HD1 ILE 66 115.791 -6.312 1.252 425 H PHE 67 H PHE 67 120.265 -1.885 1.275 426 HA PHE 67 HA PHE 67 122.855 -2.477 1.768 427 1HB PHE 67 1HB PHE 67 121.453 -0.180 1.032 428 2HB PHE 67 2HB PHE 67 122.391 0.313 2.437 429 HD1 PHE 67 HD1 PHE 67 122.451 0.415 -0.934 430 HD2 PHE 67 HD2 PHE 67 124.891 -0.926 2.285 431 HE1 PHE 67 HE1 PHE 67 124.446 0.643 -2.356 432 HE2 PHE 67 HE2 PHE 67 126.890 -0.700 0.870 433 HZ PHE 67 HZ PHE 67 126.669 0.085 -1.454 434 H THR 68 H THR 68 120.510 -1.403 4.124 435 HA THR 68 HA THR 68 122.576 -1.397 6.209 436 HB THR 68 HB THR 68 119.730 -0.491 6.579 437 HG1 THR 68 HG1 THR 68 121.907 0.973 5.517 438 1HG2 THR 68 1HG2 THR 68 120.571 0.868 8.328 439 2HG2 THR 68 2HG2 THR 68 122.241 0.508 7.889 440 3HG2 THR 68 3HG2 THR 68 121.214 -0.756 8.568 441 H ASP 69 H ASP 69 119.771 -3.076 5.056 442 HA ASP 69 HA ASP 69 119.223 -4.511 7.465 443 1HB ASP 69 1HB ASP 69 117.822 -4.113 5.187 444 2HB ASP 69 2HB ASP 69 118.457 -5.725 4.874 445 H GLN 70 H GLN 70 121.179 -5.079 4.601 446 HA GLN 70 HA GLN 70 121.802 -7.790 5.165 447 1HB GLN 70 1HB GLN 70 122.131 -6.246 2.998 448 2HB GLN 70 2HB GLN 70 123.751 -6.122 3.668 449 1HG GLN 70 1HG GLN 70 124.276 -8.231 3.132 450 2HG GLN 70 2HG GLN 70 122.677 -8.846 3.553 451 1HE2 GLN 70 1HE2 GLN 70 121.926 -9.884 1.848 452 2HE2 GLN 70 2HE2 GLN 70 121.925 -9.298 0.222 453 H VAL 71 H VAL 71 123.160 -4.723 6.151 454 HA VAL 71 HA VAL 71 125.484 -5.975 7.363 455 HB VAL 71 HB VAL 71 124.569 -3.097 7.343 456 1HG1 VAL 71 1HG1 VAL 71 127.125 -4.339 8.354 457 2HG1 VAL 71 2HG1 VAL 71 125.917 -3.467 9.297 458 3HG1 VAL 71 3HG1 VAL 71 126.890 -2.608 8.103 459 1HG2 VAL 71 1HG2 VAL 71 125.248 -4.109 5.148 460 2HG2 VAL 71 2HG2 VAL 71 126.855 -4.346 5.834 461 3HG2 VAL 71 3HG2 VAL 71 126.204 -2.717 5.657 462 H LEU 72 H LEU 72 122.444 -4.472 8.314 463 HA LEU 72 HA LEU 72 122.892 -4.293 11.071 464 1HB LEU 72 1HB LEU 72 121.007 -3.222 9.918 465 2HB LEU 72 2HB LEU 72 120.298 -4.796 9.609 466 HG LEU 72 HG LEU 72 120.419 -4.986 12.249 467 1HD1 LEU 72 1HD1 LEU 72 119.827 -2.079 12.086 468 2HD1 LEU 72 2HD1 LEU 72 121.514 -2.590 12.137 469 3HD1 LEU 72 3HD1 LEU 72 120.417 -3.041 13.441 470 1HD2 LEU 72 1HD2 LEU 72 118.308 -3.317 10.894 471 2HD2 LEU 72 2HD2 LEU 72 118.125 -4.311 12.340 472 3HD2 LEU 72 3HD2 LEU 72 118.411 -5.074 10.774 473 H SER 73 H SER 73 122.044 -6.998 9.042 474 HA SER 73 HA SER 73 121.269 -8.719 11.207 475 1HB SER 73 1HB SER 73 121.888 -9.235 8.295 476 2HB SER 73 2HB SER 73 121.429 -10.513 9.420 477 HG SER 73 HG SER 73 119.742 -9.301 8.083 478 H VAL 74 H VAL 74 124.230 -7.828 9.670 479 HA VAL 74 HA VAL 74 125.817 -10.063 10.190 480 HB VAL 74 HB VAL 74 126.627 -7.151 10.183 481 1HG1 VAL 74 1HG1 VAL 74 128.875 -8.150 9.526 482 2HG1 VAL 74 2HG1 VAL 74 128.244 -9.685 10.122 483 3HG1 VAL 74 3HG1 VAL 74 128.398 -8.312 11.216 484 1HG2 VAL 74 1HG2 VAL 74 125.565 -7.825 8.108 485 2HG2 VAL 74 2HG2 VAL 74 126.636 -9.221 7.991 486 3HG2 VAL 74 3HG2 VAL 74 127.294 -7.590 7.859 487 H LEU 75 H LEU 75 124.715 -7.486 12.279 488 HA LEU 75 HA LEU 75 126.484 -7.755 14.411 489 1HB LEU 75 1HB LEU 75 124.170 -6.318 13.894 490 2HB LEU 75 2HB LEU 75 123.726 -7.328 15.257 491 HG LEU 75 HG LEU 75 126.148 -5.528 15.223 492 1HD1 LEU 75 1HD1 LEU 75 123.657 -4.955 16.767 493 2HD1 LEU 75 2HD1 LEU 75 123.786 -4.457 15.080 494 3HD1 LEU 75 3HD1 LEU 75 124.946 -3.861 16.267 495 1HD2 LEU 75 1HD2 LEU 75 126.058 -7.562 16.757 496 2HD2 LEU 75 2HD2 LEU 75 124.751 -6.726 17.597 497 3HD2 LEU 75 3HD2 LEU 75 126.355 -5.998 17.513 498 H LYS 76 H LYS 76 123.970 -9.844 13.305 499 HA LYS 76 HA LYS 76 124.784 -11.960 14.990 500 1HB LYS 76 1HB LYS 76 123.075 -10.232 16.285 501 2HB LYS 76 2HB LYS 76 121.975 -11.454 15.662 502 1HG LYS 76 1HG LYS 76 122.772 -13.071 17.028 503 2HG LYS 76 2HG LYS 76 124.416 -12.427 17.014 504 1HD LYS 76 1HD LYS 76 123.051 -10.443 18.296 505 2HD LYS 76 2HD LYS 76 122.189 -11.882 18.843 506 1HE LYS 76 1HE LYS 76 123.983 -11.379 20.379 507 2HE LYS 76 2HE LYS 76 124.342 -12.877 19.521 508 1HZ LYS 76 1HZ LYS 76 125.374 -10.440 18.319 509 2HZ LYS 76 2HZ LYS 76 126.098 -11.962 18.479 510 3HZ LYS 76 3HZ LYS 76 126.082 -10.892 19.789 511 H GLY 77 H GLY 77 124.662 -13.551 13.596 512 1HA GLY 77 1HA GLY 77 123.183 -15.182 12.545 513 2HA GLY 77 2HA GLY 77 122.196 -13.833 11.998 514 H GLU 78 H GLU 78 125.178 -12.671 11.639 515 HA GLU 78 HA GLU 78 126.370 -12.136 9.767 516 1HB GLU 78 1HB GLU 78 127.384 -14.245 10.561 517 2HB GLU 78 2HB GLU 78 126.332 -15.137 9.473 518 1HG GLU 78 1HG GLU 78 127.857 -14.942 7.887 519 2HG GLU 78 2HG GLU 78 127.620 -13.195 7.906 520 H GLU 79 H GLU 79 123.488 -12.201 9.378 521 HA GLU 79 HA GLU 79 123.278 -13.087 6.586 522 1HB GLU 79 1HB GLU 79 121.371 -12.802 8.818 523 2HB GLU 79 2HB GLU 79 120.762 -12.284 7.252 524 1HG GLU 79 1HG GLU 79 121.215 -14.448 6.305 525 2HG GLU 79 2HG GLU 79 121.987 -14.977 7.799 Start of MODEL 17 1 H THR 13 H THR 13 98.646 -22.341 -0.944 2 HA THR 13 HA THR 13 99.845 -20.361 -1.470 3 HB THR 13 HB THR 13 98.619 -18.271 -0.320 4 HG1 THR 13 HG1 THR 13 96.488 -19.788 -1.410 5 1HG2 THR 13 1HG2 THR 13 97.592 -17.757 -2.595 6 2HG2 THR 13 2HG2 THR 13 98.307 -19.281 -3.119 7 3HG2 THR 13 3HG2 THR 13 99.339 -17.985 -2.513 8 H PHE 14 H PHE 14 97.844 -19.626 1.343 9 HA PHE 14 HA PHE 14 98.184 -19.927 3.588 10 1HB PHE 14 1HB PHE 14 99.748 -21.960 2.592 11 2HB PHE 14 2HB PHE 14 100.915 -20.997 3.491 12 HD1 PHE 14 HD1 PHE 14 97.627 -22.689 3.804 13 HD2 PHE 14 HD2 PHE 14 101.069 -21.185 5.803 14 HE1 PHE 14 HE1 PHE 14 96.858 -23.725 5.898 15 HE2 PHE 14 HE2 PHE 14 100.308 -22.220 7.902 16 HZ PHE 14 HZ PHE 14 98.199 -23.492 7.951 17 H LEU 15 H LEU 15 101.022 -18.960 1.703 18 HA LEU 15 HA LEU 15 101.956 -17.177 3.765 19 1HB LEU 15 1HB LEU 15 103.719 -16.602 2.235 20 2HB LEU 15 2HB LEU 15 103.506 -18.343 2.227 21 HG LEU 15 HG LEU 15 101.974 -17.819 0.140 22 1HD1 LEU 15 1HD1 LEU 15 103.444 -15.929 -1.062 23 2HD1 LEU 15 2HD1 LEU 15 103.494 -15.329 0.596 24 3HD1 LEU 15 3HD1 LEU 15 101.942 -15.587 -0.203 25 1HD2 LEU 15 1HD2 LEU 15 103.858 -18.269 -1.290 26 2HD2 LEU 15 2HD2 LEU 15 104.027 -19.202 0.198 27 3HD2 LEU 15 3HD2 LEU 15 104.982 -17.738 -0.039 28 H THR 16 H THR 16 100.043 -16.994 0.852 29 HA THR 16 HA THR 16 100.103 -14.155 0.601 30 HB THR 16 HB THR 16 97.971 -16.022 -0.438 31 HG1 THR 16 HG1 THR 16 100.387 -15.301 -1.727 32 1HG2 THR 16 1HG2 THR 16 97.370 -14.432 -1.929 33 2HG2 THR 16 2HG2 THR 16 98.977 -13.708 -1.978 34 3HG2 THR 16 3HG2 THR 16 97.905 -13.384 -0.615 35 H GLN 17 H GLN 17 98.185 -16.418 2.435 36 HA GLN 17 HA GLN 17 95.992 -14.747 2.985 37 1HB GLN 17 1HB GLN 17 95.260 -16.468 4.242 38 2HB GLN 17 2HB GLN 17 96.633 -17.336 3.574 39 1HG GLN 17 1HG GLN 17 97.909 -17.036 5.516 40 2HG GLN 17 2HG GLN 17 96.837 -15.773 6.126 41 1HE2 GLN 17 1HE2 GLN 17 95.181 -16.327 7.402 42 2HE2 GLN 17 2HE2 GLN 17 94.732 -17.948 7.794 43 H VAL 18 H VAL 18 98.958 -15.365 4.871 44 HA VAL 18 HA VAL 18 98.407 -13.484 6.897 45 HB VAL 18 HB VAL 18 101.238 -13.975 6.088 46 1HG1 VAL 18 1HG1 VAL 18 100.268 -14.326 8.853 47 2HG1 VAL 18 2HG1 VAL 18 100.159 -12.701 8.178 48 3HG1 VAL 18 3HG1 VAL 18 101.717 -13.523 8.248 49 1HG2 VAL 18 1HG2 VAL 18 100.725 -16.189 5.881 50 2HG2 VAL 18 2HG2 VAL 18 99.302 -16.069 6.916 51 3HG2 VAL 18 3HG2 VAL 18 100.913 -16.115 7.633 52 H LYS 19 H LYS 19 99.909 -13.246 3.742 53 HA LYS 19 HA LYS 19 101.047 -10.717 3.927 54 1HB LYS 19 1HB LYS 19 100.853 -12.543 1.949 55 2HB LYS 19 2HB LYS 19 99.660 -11.378 1.390 56 1HG LYS 19 1HG LYS 19 101.726 -9.738 2.003 57 2HG LYS 19 2HG LYS 19 102.586 -11.190 1.489 58 1HD LYS 19 1HD LYS 19 101.785 -11.069 -0.660 59 2HD LYS 19 2HD LYS 19 100.321 -10.208 -0.178 60 1HE LYS 19 1HE LYS 19 102.233 -8.405 0.497 61 2HE LYS 19 2HE LYS 19 102.978 -9.176 -0.903 62 1HZ LYS 19 1HZ LYS 19 100.564 -7.535 -0.749 63 2HZ LYS 19 2HZ LYS 19 100.585 -8.783 -1.889 64 3HZ LYS 19 3HZ LYS 19 101.769 -7.575 -1.936 65 H GLU 20 H GLU 20 97.739 -11.714 3.780 66 HA GLU 20 HA GLU 20 96.695 -9.142 3.011 67 1HB GLU 20 1HB GLU 20 95.313 -11.507 4.294 68 2HB GLU 20 2HB GLU 20 94.507 -10.104 3.604 69 1HG GLU 20 1HG GLU 20 95.587 -10.699 1.413 70 2HG GLU 20 2HG GLU 20 96.091 -12.212 2.164 71 H SER 21 H SER 21 97.664 -10.699 5.936 72 HA SER 21 HA SER 21 96.348 -8.710 7.615 73 1HB SER 21 1HB SER 21 97.146 -11.430 7.944 74 2HB SER 21 2HB SER 21 97.996 -10.448 9.132 75 HG SER 21 HG SER 21 96.128 -10.804 10.130 76 H LEU 22 H LEU 22 99.637 -10.061 7.150 77 HA LEU 22 HA LEU 22 100.947 -8.129 8.715 78 1HB LEU 22 1HB LEU 22 102.986 -8.893 7.703 79 2HB LEU 22 2HB LEU 22 101.948 -10.277 7.995 80 HG LEU 22 HG LEU 22 101.276 -9.640 5.431 81 1HD1 LEU 22 1HD1 LEU 22 104.225 -9.476 5.276 82 2HD1 LEU 22 2HD1 LEU 22 103.360 -8.008 5.736 83 3HD1 LEU 22 3HD1 LEU 22 102.991 -8.808 4.207 84 1HD2 LEU 22 1HD2 LEU 22 101.776 -11.866 6.299 85 2HD2 LEU 22 2HD2 LEU 22 103.495 -11.474 6.332 86 3HD2 LEU 22 3HD2 LEU 22 102.639 -11.564 4.793 87 H SER 23 H SER 23 99.539 -7.947 5.618 88 HA SER 23 HA SER 23 100.863 -5.361 5.132 89 1HB SER 23 1HB SER 23 101.009 -7.476 3.464 90 2HB SER 23 2HB SER 23 99.528 -6.728 2.864 91 HG SER 23 HG SER 23 102.037 -5.434 3.182 92 H SER 24 H SER 24 98.102 -6.571 6.327 93 HA SER 24 HA SER 24 96.051 -5.372 4.859 94 1HB SER 24 1HB SER 24 96.270 -6.787 7.285 95 2HB SER 24 2HB SER 24 95.468 -5.269 7.684 96 HG SER 24 HG SER 24 93.752 -5.951 6.693 97 H TYR 25 H TYR 25 98.439 -3.966 6.880 98 HA TYR 25 HA TYR 25 96.958 -1.445 7.046 99 1HB TYR 25 1HB TYR 25 98.566 -2.717 8.894 100 2HB TYR 25 2HB TYR 25 99.646 -1.501 8.221 101 HD1 TYR 25 HD1 TYR 25 97.012 -2.133 10.536 102 HD2 TYR 25 HD2 TYR 25 98.801 0.928 8.184 103 HE1 TYR 25 HE1 TYR 25 95.982 -0.430 11.980 104 HE2 TYR 25 HE2 TYR 25 97.776 2.640 9.623 105 HH TYR 25 HH TYR 25 95.343 1.904 11.907 106 H TRP 26 H TRP 26 99.251 -3.042 5.182 107 HA TRP 26 HA TRP 26 100.546 -0.600 4.243 108 1HB TRP 26 1HB TRP 26 101.949 -2.598 4.571 109 2HB TRP 26 2HB TRP 26 100.950 -3.492 3.431 110 HD1 TRP 26 HD1 TRP 26 100.902 -2.227 0.843 111 HE1 TRP 26 HE1 TRP 26 102.940 -1.355 -0.459 112 HE3 TRP 26 HE3 TRP 26 104.195 -1.732 4.724 113 HZ2 TRP 26 HZ2 TRP 26 105.596 -0.563 0.083 114 HZ3 TRP 26 HZ3 TRP 26 106.464 -0.912 4.246 115 HH2 TRP 26 HH2 TRP 26 107.149 -0.339 1.974 116 H GLU 27 H GLU 27 98.052 -2.844 3.453 117 HA GLU 27 HA GLU 27 97.832 -2.005 0.696 118 1HB GLU 27 1HB GLU 27 97.276 -4.317 1.365 119 2HB GLU 27 2HB GLU 27 95.972 -3.701 2.370 120 1HG GLU 27 1HG GLU 27 94.838 -4.338 0.485 121 2HG GLU 27 2HG GLU 27 95.132 -2.631 0.155 122 H SER 28 H SER 28 96.593 -1.076 3.767 123 HA SER 28 HA SER 28 94.278 0.297 2.772 124 1HB SER 28 1HB SER 28 94.732 -0.640 5.164 125 2HB SER 28 2HB SER 28 95.572 0.885 5.414 126 HG SER 28 HG SER 28 93.636 1.960 4.868 127 H ALA 29 H ALA 29 97.476 1.236 3.929 128 HA ALA 29 HA ALA 29 97.295 3.982 3.727 129 1HB ALA 29 1HB ALA 29 99.776 3.875 3.146 130 2HB ALA 29 2HB ALA 29 99.604 2.122 3.224 131 3HB ALA 29 3HB ALA 29 99.274 3.105 4.651 132 H LYS 30 H LYS 30 97.472 1.590 1.218 133 HA LYS 30 HA LYS 30 97.974 3.530 -0.875 134 1HB LYS 30 1HB LYS 30 98.685 0.984 -0.731 135 2HB LYS 30 2HB LYS 30 97.098 0.732 -1.445 136 1HG LYS 30 1HG LYS 30 98.712 0.816 -3.199 137 2HG LYS 30 2HG LYS 30 97.738 2.285 -3.275 138 1HD LYS 30 1HD LYS 30 99.469 3.630 -2.660 139 2HD LYS 30 2HD LYS 30 100.223 2.384 -1.661 140 1HE LYS 30 1HE LYS 30 101.713 2.290 -3.347 141 2HE LYS 30 2HE LYS 30 100.488 1.280 -4.111 142 1HZ LYS 30 1HZ LYS 30 99.650 3.678 -4.859 143 2HZ LYS 30 2HZ LYS 30 100.756 2.770 -5.762 144 3HZ LYS 30 3HZ LYS 30 101.308 3.999 -4.739 145 H THR 31 H THR 31 95.277 1.831 0.574 146 HA THR 31 HA THR 31 93.409 2.331 -1.513 147 HB THR 31 HB THR 31 91.703 1.705 0.122 148 HG1 THR 31 HG1 THR 31 92.387 2.658 1.980 149 1HG2 THR 31 1HG2 THR 31 92.281 -0.385 -0.284 150 2HG2 THR 31 2HG2 THR 31 93.342 -0.320 1.123 151 3HG2 THR 31 3HG2 THR 31 93.973 0.070 -0.478 152 H ALA 32 H ALA 32 94.562 4.177 1.211 153 HA ALA 32 HA ALA 32 92.556 6.260 0.678 154 1HB ALA 32 1HB ALA 32 94.253 5.633 3.068 155 2HB ALA 32 2HB ALA 32 92.499 5.779 2.956 156 3HB ALA 32 3HB ALA 32 93.512 7.220 2.864 157 H ALA 33 H ALA 33 95.391 5.521 -0.564 158 HA ALA 33 HA ALA 33 96.690 8.112 -0.286 159 1HB ALA 33 1HB ALA 33 98.317 6.486 -0.270 160 2HB ALA 33 2HB ALA 33 98.311 6.936 -1.974 161 3HB ALA 33 3HB ALA 33 97.474 5.477 -1.445 162 H GLN 34 H GLN 34 95.445 6.052 -2.914 163 HA GLN 34 HA GLN 34 95.759 7.894 -4.985 164 1HB GLN 34 1HB GLN 34 94.959 5.334 -4.885 165 2HB GLN 34 2HB GLN 34 93.392 6.107 -5.077 166 1HG GLN 34 1HG GLN 34 93.793 6.045 -7.259 167 2HG GLN 34 2HG GLN 34 94.927 7.365 -6.972 168 1HE2 GLN 34 1HE2 GLN 34 94.541 4.131 -7.937 169 2HE2 GLN 34 2HE2 GLN 34 96.211 3.744 -8.149 170 H ASN 35 H ASN 35 93.473 7.781 -2.421 171 HA ASN 35 HA ASN 35 91.449 9.373 -3.668 172 1HB ASN 35 1HB ASN 35 91.329 7.773 -1.582 173 2HB ASN 35 2HB ASN 35 91.793 9.220 -0.698 174 1HD2 ASN 35 1HD2 ASN 35 90.463 11.203 -1.355 175 2HD2 ASN 35 2HD2 ASN 35 88.757 10.956 -1.465 176 H LEU 36 H LEU 36 93.611 10.082 -0.926 177 HA LEU 36 HA LEU 36 93.190 12.849 -0.938 178 1HB LEU 36 1HB LEU 36 95.059 13.016 0.534 179 2HB LEU 36 2HB LEU 36 94.197 11.539 0.924 180 HG LEU 36 HG LEU 36 96.033 10.549 -0.785 181 1HD1 LEU 36 1HD1 LEU 36 97.265 12.980 0.488 182 2HD1 LEU 36 2HD1 LEU 36 97.213 12.552 -1.223 183 3HD1 LEU 36 3HD1 LEU 36 98.214 11.618 -0.110 184 1HD2 LEU 36 1HD2 LEU 36 95.426 10.059 1.703 185 2HD2 LEU 36 2HD2 LEU 36 96.866 11.018 2.044 186 3HD2 LEU 36 3HD2 LEU 36 96.990 9.557 1.062 187 H TYR 37 H TYR 37 95.507 10.860 -2.686 188 HA TYR 37 HA TYR 37 97.112 12.981 -3.649 189 1HB TYR 37 1HB TYR 37 96.745 10.110 -4.329 190 2HB TYR 37 2HB TYR 37 97.507 11.133 -5.540 191 HD1 TYR 37 HD1 TYR 37 99.803 11.383 -5.471 192 HD2 TYR 37 HD2 TYR 37 97.743 10.372 -1.889 193 HE1 TYR 37 HE1 TYR 37 101.954 11.177 -4.298 194 HE2 TYR 37 HE2 TYR 37 99.889 10.164 -0.707 195 HH TYR 37 HH TYR 37 102.859 10.016 -2.300 196 H GLU 38 H GLU 38 93.965 12.006 -4.434 197 HA GLU 38 HA GLU 38 93.977 12.870 -7.172 198 1HB GLU 38 1HB GLU 38 92.340 11.247 -5.770 199 2HB GLU 38 2HB GLU 38 91.413 12.739 -5.698 200 1HG GLU 38 1HG GLU 38 90.845 12.641 -7.859 201 2HG GLU 38 2HG GLU 38 92.439 12.075 -8.358 202 H LYS 39 H LYS 39 93.410 14.329 -4.066 203 HA LYS 39 HA LYS 39 92.268 16.728 -5.263 204 1HB LYS 39 1HB LYS 39 91.494 15.652 -3.053 205 2HB LYS 39 2HB LYS 39 92.938 16.374 -2.354 206 1HG LYS 39 1HG LYS 39 91.124 17.845 -1.936 207 2HG LYS 39 2HG LYS 39 92.132 18.590 -3.177 208 1HD LYS 39 1HD LYS 39 90.033 16.880 -4.268 209 2HD LYS 39 2HD LYS 39 89.409 18.228 -3.316 210 1HE LYS 39 1HE LYS 39 91.453 18.540 -5.505 211 2HE LYS 39 2HE LYS 39 89.716 18.690 -5.768 212 1HZ LYS 39 1HZ LYS 39 91.504 20.441 -4.210 213 2HZ LYS 39 2HZ LYS 39 89.844 20.408 -3.886 214 3HZ LYS 39 3HZ LYS 39 90.398 20.857 -5.421 215 H THR 40 H THR 40 95.219 15.703 -5.372 216 HA THR 40 HA THR 40 97.297 16.619 -5.449 217 HB THR 40 HB THR 40 96.135 19.372 -5.380 218 HG1 THR 40 HG1 THR 40 94.648 18.343 -6.651 219 1HG2 THR 40 1HG2 THR 40 98.353 19.530 -5.925 220 2HG2 THR 40 2HG2 THR 40 97.610 19.429 -7.522 221 3HG2 THR 40 3HG2 THR 40 98.359 18.002 -6.805 222 H TYR 41 H TYR 41 97.095 15.818 -3.063 223 HA TYR 41 HA TYR 41 97.626 18.088 -1.264 224 1HB TYR 41 1HB TYR 41 95.707 16.285 -0.872 225 2HB TYR 41 2HB TYR 41 97.046 15.377 -0.178 226 HD1 TYR 41 HD1 TYR 41 98.193 16.195 1.832 227 HD2 TYR 41 HD2 TYR 41 94.835 18.247 0.219 228 HE1 TYR 41 HE1 TYR 41 97.950 17.440 3.938 229 HE2 TYR 41 HE2 TYR 41 94.583 19.501 2.320 230 HH TYR 41 HH TYR 41 95.182 19.334 4.645 231 H LEU 42 H LEU 42 99.543 16.870 -3.069 232 HA LEU 42 HA LEU 42 101.283 15.236 -1.450 233 1HB LEU 42 1HB LEU 42 102.071 16.551 -4.028 234 2HB LEU 42 2HB LEU 42 102.657 15.048 -3.341 235 HG LEU 42 HG LEU 42 100.041 14.431 -3.699 236 1HD1 LEU 42 1HD1 LEU 42 99.872 15.285 -6.235 237 2HD1 LEU 42 2HD1 LEU 42 100.690 16.669 -5.509 238 3HD1 LEU 42 3HD1 LEU 42 99.134 16.132 -4.875 239 1HD2 LEU 42 1HD2 LEU 42 100.756 13.128 -5.570 240 2HD2 LEU 42 2HD2 LEU 42 102.082 13.179 -4.408 241 3HD2 LEU 42 3HD2 LEU 42 102.135 14.190 -5.852 242 HA PRO 43 HA PRO 43 103.467 18.509 0.585 243 1HB PRO 43 1HB PRO 43 105.848 16.759 0.359 244 2HB PRO 43 2HB PRO 43 105.095 17.455 1.795 245 1HG PRO 43 1HG PRO 43 104.846 14.857 1.227 246 2HG PRO 43 2HG PRO 43 103.508 15.778 1.940 247 1HD PRO 43 1HD PRO 43 103.908 14.890 -0.888 248 2HD PRO 43 2HD PRO 43 102.418 14.956 0.076 249 H ALA 44 H ALA 44 105.792 16.874 -1.575 250 HA ALA 44 HA ALA 44 105.966 19.152 -3.324 251 1HB ALA 44 1HB ALA 44 107.473 19.378 -1.076 252 2HB ALA 44 2HB ALA 44 107.847 20.146 -2.618 253 3HB ALA 44 3HB ALA 44 108.614 18.618 -2.186 254 H VAL 45 H VAL 45 105.643 16.116 -3.285 255 HA VAL 45 HA VAL 45 107.907 14.993 -4.551 256 HB VAL 45 HB VAL 45 106.244 13.554 -3.559 257 1HG1 VAL 45 1HG1 VAL 45 104.233 13.881 -5.674 258 2HG1 VAL 45 2HG1 VAL 45 104.382 15.247 -4.568 259 3HG1 VAL 45 3HG1 VAL 45 104.029 13.638 -3.939 260 1HG2 VAL 45 1HG2 VAL 45 105.907 12.908 -6.439 261 2HG2 VAL 45 2HG2 VAL 45 106.379 11.869 -5.094 262 3HG2 VAL 45 3HG2 VAL 45 107.544 12.995 -5.790 263 H ASP 46 H ASP 46 105.104 16.744 -5.693 264 HA ASP 46 HA ASP 46 105.443 16.246 -8.455 265 1HB ASP 46 1HB ASP 46 103.921 18.180 -6.795 266 2HB ASP 46 2HB ASP 46 104.248 18.666 -8.456 267 H GLU 47 H GLU 47 106.960 18.389 -6.180 268 HA GLU 47 HA GLU 47 108.238 19.973 -8.256 269 1HB GLU 47 1HB GLU 47 108.039 20.093 -5.290 270 2HB GLU 47 2HB GLU 47 109.473 20.796 -6.028 271 1HG GLU 47 1HG GLU 47 108.347 22.544 -6.858 272 2HG GLU 47 2HG GLU 47 106.943 21.569 -7.289 273 H LYS 48 H LYS 48 109.422 18.064 -5.475 274 HA LYS 48 HA LYS 48 111.172 16.443 -6.906 275 1HB LYS 48 1HB LYS 48 112.141 18.958 -7.062 276 2HB LYS 48 2HB LYS 48 112.900 18.439 -5.565 277 1HG LYS 48 1HG LYS 48 113.725 16.416 -6.824 278 2HG LYS 48 2HG LYS 48 113.181 17.223 -8.297 279 1HD LYS 48 1HD LYS 48 114.930 18.624 -8.302 280 2HD LYS 48 2HD LYS 48 114.797 18.935 -6.570 281 1HE LYS 48 1HE LYS 48 116.276 17.303 -6.027 282 2HE LYS 48 2HE LYS 48 115.792 16.267 -7.368 283 1HZ LYS 48 1HZ LYS 48 117.307 17.180 -8.737 284 2HZ LYS 48 2HZ LYS 48 118.094 17.585 -7.295 285 3HZ LYS 48 3HZ LYS 48 117.142 18.735 -8.090 286 H LEU 49 H LEU 49 109.524 15.904 -4.822 287 HA LEU 49 HA LEU 49 111.252 15.715 -2.456 288 1HB LEU 49 1HB LEU 49 108.931 16.654 -2.248 289 2HB LEU 49 2HB LEU 49 108.315 15.064 -2.655 290 HG LEU 49 HG LEU 49 110.183 15.385 -0.337 291 1HD1 LEU 49 1HD1 LEU 49 107.927 16.898 -0.455 292 2HD1 LEU 49 2HD1 LEU 49 108.668 16.306 1.031 293 3HD1 LEU 49 3HD1 LEU 49 107.326 15.424 0.304 294 1HD2 LEU 49 1HD2 LEU 49 108.437 13.527 0.396 295 2HD2 LEU 49 2HD2 LEU 49 109.833 13.154 -0.616 296 3HD2 LEU 49 3HD2 LEU 49 108.245 13.380 -1.351 297 H ARG 50 H ARG 50 109.453 13.778 -4.770 298 HA ARG 50 HA ARG 50 111.138 11.518 -4.314 299 1HB ARG 50 1HB ARG 50 108.509 11.660 -2.990 300 2HB ARG 50 2HB ARG 50 108.808 10.173 -3.878 301 1HG ARG 50 1HG ARG 50 111.077 10.946 -2.247 302 2HG ARG 50 2HG ARG 50 109.604 10.738 -1.298 303 1HD ARG 50 1HD ARG 50 110.629 8.713 -3.280 304 2HD ARG 50 2HD ARG 50 110.996 8.671 -1.556 305 HE ARG 50 HE ARG 50 108.184 8.786 -2.123 306 1HH1 ARG 50 1HH1 ARG 50 110.936 6.671 -1.767 307 2HH1 ARG 50 2HH1 ARG 50 109.979 5.285 -1.366 308 1HH2 ARG 50 1HH2 ARG 50 106.922 6.964 -1.597 309 2HH2 ARG 50 2HH2 ARG 50 107.699 5.451 -1.271 310 H ASP 51 H ASP 51 110.201 13.246 -6.493 311 HA ASP 51 HA ASP 51 108.979 11.188 -8.212 312 1HB ASP 51 1HB ASP 51 107.530 13.183 -7.795 313 2HB ASP 51 2HB ASP 51 108.758 14.184 -8.565 314 H LEU 52 H LEU 52 111.627 13.346 -7.745 315 HA LEU 52 HA LEU 52 112.534 13.099 -10.499 316 1HB LEU 52 1HB LEU 52 112.733 15.169 -8.887 317 2HB LEU 52 2HB LEU 52 114.176 14.338 -8.336 318 HG LEU 52 HG LEU 52 114.659 14.264 -10.963 319 1HD1 LEU 52 1HD1 LEU 52 113.674 15.851 -12.223 320 2HD1 LEU 52 2HD1 LEU 52 113.537 16.988 -10.881 321 3HD1 LEU 52 3HD1 LEU 52 112.373 15.673 -11.046 322 1HD2 LEU 52 1HD2 LEU 52 116.015 15.251 -9.076 323 2HD2 LEU 52 2HD2 LEU 52 115.164 16.766 -9.373 324 3HD2 LEU 52 3HD2 LEU 52 116.166 16.056 -10.638 325 H TYR 53 H TYR 53 112.415 10.850 -8.390 326 HA TYR 53 HA TYR 53 115.186 9.943 -8.772 327 1HB TYR 53 1HB TYR 53 113.921 10.391 -6.341 328 2HB TYR 53 2HB TYR 53 113.790 8.651 -6.565 329 HD1 TYR 53 HD1 TYR 53 116.537 10.939 -7.603 330 HD2 TYR 53 HD2 TYR 53 115.325 7.765 -5.042 331 HE1 TYR 53 HE1 TYR 53 118.860 10.677 -6.838 332 HE2 TYR 53 HE2 TYR 53 117.643 7.495 -4.270 333 HH TYR 53 HH TYR 53 119.707 8.888 -4.116 334 H SER 54 H SER 54 111.863 8.835 -8.200 335 HA SER 54 HA SER 54 110.725 6.992 -8.894 336 1HB SER 54 1HB SER 54 112.438 7.690 -11.251 337 2HB SER 54 2HB SER 54 111.448 6.232 -11.301 338 HG SER 54 HG SER 54 109.674 7.706 -10.650 339 H LYS 55 H LYS 55 112.711 6.374 -7.120 340 HA LYS 55 HA LYS 55 113.900 4.624 -6.281 341 1HB LYS 55 1HB LYS 55 112.400 3.174 -8.464 342 2HB LYS 55 2HB LYS 55 113.404 2.361 -7.272 343 1HG LYS 55 1HG LYS 55 111.729 3.972 -5.762 344 2HG LYS 55 2HG LYS 55 110.696 3.346 -7.050 345 1HD LYS 55 1HD LYS 55 110.482 1.568 -5.683 346 2HD LYS 55 2HD LYS 55 112.051 1.107 -6.347 347 1HE LYS 55 1HE LYS 55 113.200 1.813 -4.465 348 2HE LYS 55 2HE LYS 55 111.905 2.896 -3.957 349 1HZ LYS 55 1HZ LYS 55 111.462 -0.016 -4.013 350 2HZ LYS 55 2HZ LYS 55 110.684 1.164 -3.082 351 3HZ LYS 55 3HZ LYS 55 112.264 0.693 -2.702 352 H SER 56 H SER 56 114.826 6.224 -8.760 353 HA SER 56 HA SER 56 116.425 4.647 -10.398 354 1HB SER 56 1HB SER 56 116.075 6.971 -10.935 355 2HB SER 56 2HB SER 56 116.838 7.483 -9.430 356 HG SER 56 HG SER 56 118.800 6.661 -10.212 357 H THR 57 H THR 57 117.247 6.240 -7.341 358 HA THR 57 HA THR 57 119.295 4.213 -6.884 359 HB THR 57 HB THR 57 119.930 7.102 -6.361 360 HG1 THR 57 HG1 THR 57 120.308 5.634 -8.745 361 1HG2 THR 57 1HG2 THR 57 121.482 4.568 -6.436 362 2HG2 THR 57 2HG2 THR 57 121.533 5.892 -5.271 363 3HG2 THR 57 3HG2 THR 57 122.279 6.085 -6.857 364 H ALA 58 H ALA 58 116.599 5.051 -5.816 365 HA ALA 58 HA ALA 58 117.113 5.946 -3.129 366 1HB ALA 58 1HB ALA 58 114.871 5.840 -4.795 367 2HB ALA 58 2HB ALA 58 114.932 6.403 -3.125 368 3HB ALA 58 3HB ALA 58 114.520 4.723 -3.475 369 H ALA 59 H ALA 59 116.258 2.914 -4.727 370 HA ALA 59 HA ALA 59 116.223 1.384 -2.308 371 1HB ALA 59 1HB ALA 59 116.444 0.419 -5.157 372 2HB ALA 59 2HB ALA 59 114.932 0.744 -4.310 373 3HB ALA 59 3HB ALA 59 115.996 -0.547 -3.751 374 H MET 60 H MET 60 118.667 2.462 -4.495 375 HA MET 60 HA MET 60 120.586 0.429 -3.776 376 1HB MET 60 1HB MET 60 120.564 1.548 -6.007 377 2HB MET 60 2HB MET 60 121.035 3.047 -5.219 378 1HG MET 60 1HG MET 60 122.976 1.466 -4.299 379 2HG MET 60 2HG MET 60 122.624 0.630 -5.810 380 1HE MET 60 1HE MET 60 123.281 1.583 -8.223 381 2HE MET 60 2HE MET 60 124.550 0.895 -7.210 382 3HE MET 60 3HE MET 60 124.857 2.370 -8.126 383 H SER 61 H SER 61 119.717 3.640 -2.729 384 HA SER 61 HA SER 61 122.056 3.746 -0.961 385 1HB SER 61 1HB SER 61 120.010 5.901 -1.540 386 2HB SER 61 2HB SER 61 121.502 6.095 -0.622 387 HG SER 61 HG SER 61 121.404 5.275 -3.336 388 H THR 62 H THR 62 119.830 1.933 -0.501 389 HA THR 62 HA THR 62 118.604 3.075 1.902 390 HB THR 62 HB THR 62 117.669 0.431 1.282 391 HG1 THR 62 HG1 THR 62 117.600 2.313 -0.834 392 1HG2 THR 62 1HG2 THR 62 116.003 1.505 2.310 393 2HG2 THR 62 2HG2 THR 62 115.591 2.055 0.684 394 3HG2 THR 62 3HG2 THR 62 116.541 3.090 1.751 395 H TYR 63 H TYR 63 121.059 0.972 0.890 396 HA TYR 63 HA TYR 63 121.163 -1.052 2.712 397 1HB TYR 63 1HB TYR 63 123.179 0.498 1.219 398 2HB TYR 63 2HB TYR 63 123.777 -0.356 2.634 399 HD1 TYR 63 HD1 TYR 63 123.889 -2.762 2.683 400 HD2 TYR 63 HD2 TYR 63 122.236 -0.744 -0.678 401 HE1 TYR 63 HE1 TYR 63 123.988 -4.851 1.386 402 HE2 TYR 63 HE2 TYR 63 122.330 -2.825 -1.983 403 HH TYR 63 HH TYR 63 124.137 -5.381 -1.240 404 H THR 64 H THR 64 121.646 2.341 3.276 405 HA THR 64 HA THR 64 123.071 2.372 5.637 406 HB THR 64 HB THR 64 120.644 4.105 5.172 407 HG1 THR 64 HG1 THR 64 121.931 5.389 3.878 408 1HG2 THR 64 1HG2 THR 64 122.822 5.626 6.004 409 2HG2 THR 64 2HG2 THR 64 122.836 4.188 7.024 410 3HG2 THR 64 3HG2 THR 64 121.392 5.196 6.941 411 H GLY 65 H GLY 65 119.824 1.283 5.042 412 1HA GLY 65 1HA GLY 65 119.501 0.776 7.938 413 2HA GLY 65 2HA GLY 65 118.156 1.099 6.853 414 H ILE 66 H ILE 66 120.300 -0.761 5.159 415 HA ILE 66 HA ILE 66 118.892 -3.230 5.923 416 HB ILE 66 HB ILE 66 120.169 -2.698 3.254 417 1HG1 ILE 66 1HG1 ILE 66 117.261 -2.342 4.014 418 2HG1 ILE 66 2HG1 ILE 66 118.389 -1.033 3.674 419 1HG2 ILE 66 1HG2 ILE 66 117.937 -4.509 3.273 420 2HG2 ILE 66 2HG2 ILE 66 119.150 -5.010 4.449 421 3HG2 ILE 66 3HG2 ILE 66 119.601 -4.786 2.759 422 1HD1 ILE 66 1HD1 ILE 66 117.648 -3.168 1.693 423 2HD1 ILE 66 2HD1 ILE 66 118.575 -1.699 1.391 424 3HD1 ILE 66 3HD1 ILE 66 116.862 -1.594 1.800 425 H PHE 67 H PHE 67 121.889 -1.695 5.970 426 HA PHE 67 HA PHE 67 123.788 -3.526 5.286 427 1HB PHE 67 1HB PHE 67 125.217 -2.556 7.027 428 2HB PHE 67 2HB PHE 67 124.317 -1.303 6.180 429 HD1 PHE 67 HD1 PHE 67 124.992 -2.870 9.348 430 HD2 PHE 67 HD2 PHE 67 122.325 -0.275 7.281 431 HE1 PHE 67 HE1 PHE 67 124.145 -2.031 11.500 432 HE2 PHE 67 HE2 PHE 67 121.474 0.567 9.430 433 HZ PHE 67 HZ PHE 67 122.385 -0.310 11.544 434 H THR 68 H THR 68 121.592 -3.674 7.983 435 HA THR 68 HA THR 68 122.874 -6.156 8.901 436 HB THR 68 HB THR 68 120.925 -4.345 10.344 437 HG1 THR 68 HG1 THR 68 123.712 -4.760 10.622 438 1HG2 THR 68 1HG2 THR 68 122.074 -5.841 12.273 439 2HG2 THR 68 2HG2 THR 68 121.929 -7.025 10.975 440 3HG2 THR 68 3HG2 THR 68 120.497 -6.175 11.556 441 H ASP 69 H ASP 69 120.020 -4.804 7.482 442 HA ASP 69 HA ASP 69 118.288 -7.003 8.084 443 1HB ASP 69 1HB ASP 69 117.894 -4.457 7.144 444 2HB ASP 69 2HB ASP 69 117.654 -5.417 5.687 445 H GLN 70 H GLN 70 120.432 -6.135 5.445 446 HA GLN 70 HA GLN 70 119.595 -8.135 3.631 447 1HB GLN 70 1HB GLN 70 121.246 -6.008 3.436 448 2HB GLN 70 2HB GLN 70 122.436 -7.294 3.587 449 1HG GLN 70 1HG GLN 70 122.157 -7.084 1.301 450 2HG GLN 70 2HG GLN 70 121.124 -8.453 1.711 451 1HE2 GLN 70 1HE2 GLN 70 121.288 -5.675 -0.021 452 2HE2 GLN 70 2HE2 GLN 70 119.603 -5.336 -0.193 453 H VAL 71 H VAL 71 121.820 -8.091 6.327 454 HA VAL 71 HA VAL 71 123.006 -10.636 5.728 455 HB VAL 71 HB VAL 71 123.018 -9.016 8.273 456 1HG1 VAL 71 1HG1 VAL 71 125.258 -10.492 8.413 457 2HG1 VAL 71 2HG1 VAL 71 124.214 -11.619 7.548 458 3HG1 VAL 71 3HG1 VAL 71 123.723 -10.994 9.122 459 1HG2 VAL 71 1HG2 VAL 71 125.516 -8.808 7.304 460 2HG2 VAL 71 2HG2 VAL 71 124.236 -7.648 6.952 461 3HG2 VAL 71 3HG2 VAL 71 124.613 -8.924 5.795 462 H LEU 72 H LEU 72 120.587 -9.435 8.026 463 HA LEU 72 HA LEU 72 120.087 -11.893 9.303 464 1HB LEU 72 1HB LEU 72 118.527 -9.350 9.002 465 2HB LEU 72 2HB LEU 72 117.804 -10.746 9.780 466 HG LEU 72 HG LEU 72 120.451 -9.722 10.732 467 1HD1 LEU 72 1HD1 LEU 72 118.934 -8.481 12.461 468 2HD1 LEU 72 2HD1 LEU 72 117.773 -8.477 11.132 469 3HD1 LEU 72 3HD1 LEU 72 119.351 -7.717 10.926 470 1HD2 LEU 72 1HD2 LEU 72 119.786 -10.725 12.800 471 2HD2 LEU 72 2HD2 LEU 72 119.514 -11.897 11.510 472 3HD2 LEU 72 3HD2 LEU 72 118.153 -11.007 12.196 473 H SER 73 H SER 73 119.045 -10.580 6.273 474 HA SER 73 HA SER 73 116.821 -12.366 5.934 475 1HB SER 73 1HB SER 73 118.239 -10.398 4.159 476 2HB SER 73 2HB SER 73 117.062 -11.527 3.487 477 HG SER 73 HG SER 73 116.486 -9.864 5.702 478 H VAL 74 H VAL 74 120.230 -12.480 5.358 479 HA VAL 74 HA VAL 74 120.364 -14.357 3.292 480 HB VAL 74 HB VAL 74 122.254 -13.965 5.620 481 1HG1 VAL 74 1HG1 VAL 74 122.603 -16.159 4.642 482 2HG1 VAL 74 2HG1 VAL 74 123.929 -15.084 4.201 483 3HG1 VAL 74 3HG1 VAL 74 122.666 -15.454 3.027 484 1HG2 VAL 74 1HG2 VAL 74 122.317 -11.966 4.485 485 2HG2 VAL 74 2HG2 VAL 74 121.959 -12.713 2.929 486 3HG2 VAL 74 3HG2 VAL 74 123.568 -12.875 3.636 487 H LEU 75 H LEU 75 119.696 -14.734 6.700 488 HA LEU 75 HA LEU 75 120.151 -17.461 7.020 489 1HB LEU 75 1HB LEU 75 119.516 -15.748 8.787 490 2HB LEU 75 2HB LEU 75 117.855 -15.958 8.265 491 HG LEU 75 HG LEU 75 118.410 -18.514 8.730 492 1HD1 LEU 75 1HD1 LEU 75 119.949 -17.437 11.000 493 2HD1 LEU 75 2HD1 LEU 75 120.793 -17.502 9.453 494 3HD1 LEU 75 3HD1 LEU 75 120.104 -18.971 10.144 495 1HD2 LEU 75 1HD2 LEU 75 116.793 -16.746 9.843 496 2HD2 LEU 75 2HD2 LEU 75 117.943 -16.889 11.173 497 3HD2 LEU 75 3HD2 LEU 75 117.095 -18.318 10.585 498 H LYS 76 H LYS 76 117.692 -15.788 5.268 499 HA LYS 76 HA LYS 76 116.811 -18.062 3.907 500 1HB LYS 76 1HB LYS 76 115.766 -18.671 6.045 501 2HB LYS 76 2HB LYS 76 114.918 -17.131 6.075 502 1HG LYS 76 1HG LYS 76 113.351 -17.812 4.616 503 2HG LYS 76 2HG LYS 76 114.496 -18.752 3.659 504 1HD LYS 76 1HD LYS 76 113.930 -19.772 6.370 505 2HD LYS 76 2HD LYS 76 112.594 -19.850 5.220 506 1HE LYS 76 1HE LYS 76 113.566 -21.834 4.712 507 2HE LYS 76 2HE LYS 76 114.539 -20.805 3.662 508 1HZ LYS 76 1HZ LYS 76 115.293 -22.226 6.075 509 2HZ LYS 76 2HZ LYS 76 115.928 -20.666 5.929 510 3HZ LYS 76 3HZ LYS 76 116.224 -21.814 4.724 511 H GLY 77 H GLY 77 116.366 -17.218 2.017 512 1HA GLY 77 1HA GLY 77 114.727 -15.967 0.700 513 2HA GLY 77 2HA GLY 77 114.815 -14.707 1.922 514 H GLU 78 H GLU 78 117.873 -15.535 1.828 515 HA GLU 78 HA GLU 78 119.720 -14.428 1.069 516 1HB GLU 78 1HB GLU 78 119.341 -16.212 -0.597 517 2HB GLU 78 2HB GLU 78 118.417 -15.081 -1.574 518 1HG GLU 78 1HG GLU 78 120.260 -13.974 -2.297 519 2HG GLU 78 2HG GLU 78 121.163 -14.282 -0.815 520 H GLU 79 H GLU 79 117.441 -12.709 1.615 521 HA GLU 79 HA GLU 79 117.330 -10.709 -0.440 522 1HB GLU 79 1HB GLU 79 115.701 -11.360 1.642 523 2HB GLU 79 2HB GLU 79 116.518 -9.944 2.290 524 1HG GLU 79 1HG GLU 79 115.343 -9.836 -0.447 525 2HG GLU 79 2HG GLU 79 114.293 -9.696 0.963 Start of MODEL 18 1 H THR 13 H THR 13 88.255 -0.104 16.993 2 HA THR 13 HA THR 13 86.468 -1.482 17.261 3 HB THR 13 HB THR 13 85.887 0.159 19.734 4 HG1 THR 13 HG1 THR 13 87.153 -1.298 20.540 5 1HG2 THR 13 1HG2 THR 13 83.819 -0.625 18.523 6 2HG2 THR 13 2HG2 THR 13 84.005 -1.172 20.189 7 3HG2 THR 13 3HG2 THR 13 84.361 -2.270 18.855 8 H PHE 14 H PHE 14 84.984 1.398 18.633 9 HA PHE 14 HA PHE 14 83.405 1.764 16.264 10 1HB PHE 14 1HB PHE 14 83.258 2.557 19.008 11 2HB PHE 14 2HB PHE 14 83.142 4.000 18.006 12 HD1 PHE 14 HD1 PHE 14 81.047 4.651 17.359 13 HD2 PHE 14 HD2 PHE 14 81.785 0.522 18.081 14 HE1 PHE 14 HE1 PHE 14 78.677 4.154 16.916 15 HE2 PHE 14 HE2 PHE 14 79.417 0.018 17.638 16 HZ PHE 14 HZ PHE 14 77.860 1.835 17.055 17 H LEU 15 H LEU 15 86.332 3.056 17.556 18 HA LEU 15 HA LEU 15 86.296 5.423 15.887 19 1HB LEU 15 1HB LEU 15 88.488 5.885 16.833 20 2HB LEU 15 2HB LEU 15 87.331 5.514 18.097 21 HG LEU 15 HG LEU 15 88.887 3.205 17.142 22 1HD1 LEU 15 1HD1 LEU 15 90.727 4.127 18.836 23 2HD1 LEU 15 2HD1 LEU 15 90.191 5.661 18.149 24 3HD1 LEU 15 3HD1 LEU 15 90.815 4.392 17.095 25 1HD2 LEU 15 1HD2 LEU 15 88.554 2.455 19.250 26 2HD2 LEU 15 2HD2 LEU 15 87.254 3.647 19.217 27 3HD2 LEU 15 3HD2 LEU 15 88.797 4.045 19.972 28 H THR 16 H THR 16 87.550 2.180 15.782 29 HA THR 16 HA THR 16 89.478 2.630 13.730 30 HB THR 16 HB THR 16 88.106 0.067 14.564 31 HG1 THR 16 HG1 THR 16 89.411 1.288 16.159 32 1HG2 THR 16 1HG2 THR 16 89.152 -0.262 12.431 33 2HG2 THR 16 2HG2 THR 16 90.124 -1.039 13.682 34 3HG2 THR 16 3HG2 THR 16 90.636 0.504 12.998 35 H GLN 17 H GLN 17 86.061 1.868 13.777 36 HA GLN 17 HA GLN 17 85.794 1.015 11.118 37 1HB GLN 17 1HB GLN 17 83.591 0.902 11.587 38 2HB GLN 17 2HB GLN 17 84.088 1.268 13.232 39 1HG GLN 17 1HG GLN 17 83.482 3.525 13.028 40 2HG GLN 17 2HG GLN 17 83.374 3.421 11.270 41 1HE2 GLN 17 1HE2 GLN 17 81.653 3.430 14.110 42 2HE2 GLN 17 2HE2 GLN 17 80.159 2.787 13.527 43 H VAL 18 H VAL 18 85.349 4.256 12.540 44 HA VAL 18 HA VAL 18 84.878 5.584 10.100 45 HB VAL 18 HB VAL 18 86.305 7.021 12.293 46 1HG1 VAL 18 1HG1 VAL 18 85.308 7.933 10.044 47 2HG1 VAL 18 2HG1 VAL 18 85.187 8.869 11.535 48 3HG1 VAL 18 3HG1 VAL 18 83.803 7.935 10.964 49 1HG2 VAL 18 1HG2 VAL 18 83.659 5.685 12.549 50 2HG2 VAL 18 2HG2 VAL 18 83.847 7.295 13.241 51 3HG2 VAL 18 3HG2 VAL 18 84.897 5.981 13.768 52 H LYS 19 H LYS 19 87.793 4.701 11.830 53 HA LYS 19 HA LYS 19 89.661 6.227 10.442 54 1HB LYS 19 1HB LYS 19 89.709 4.075 12.291 55 2HB LYS 19 2HB LYS 19 90.738 3.613 10.942 56 1HG LYS 19 1HG LYS 19 92.227 4.679 12.324 57 2HG LYS 19 2HG LYS 19 91.747 5.989 11.244 58 1HD LYS 19 1HD LYS 19 89.947 6.498 13.017 59 2HD LYS 19 2HD LYS 19 90.926 5.491 14.085 60 1HE LYS 19 1HE LYS 19 92.407 7.536 12.575 61 2HE LYS 19 2HE LYS 19 91.262 8.160 13.762 62 1HZ LYS 19 1HZ LYS 19 92.459 6.282 15.198 63 2HZ LYS 19 2HZ LYS 19 93.013 7.878 15.128 64 3HZ LYS 19 3HZ LYS 19 93.737 6.690 14.166 65 H GLU 20 H GLU 20 87.796 3.482 9.478 66 HA GLU 20 HA GLU 20 89.442 2.800 7.212 67 1HB GLU 20 1HB GLU 20 86.573 2.051 7.817 68 2HB GLU 20 2HB GLU 20 87.591 1.318 6.586 69 1HG GLU 20 1HG GLU 20 89.157 0.674 8.475 70 2HG GLU 20 2HG GLU 20 87.850 1.127 9.568 71 H SER 21 H SER 21 86.948 5.062 7.915 72 HA SER 21 HA SER 21 86.419 5.589 5.092 73 1HB SER 21 1HB SER 21 84.889 5.761 7.495 74 2HB SER 21 2HB SER 21 84.998 7.366 6.780 75 HG SER 21 HG SER 21 83.833 5.036 5.763 76 H LEU 22 H LEU 22 87.264 7.410 8.062 77 HA LEU 22 HA LEU 22 87.867 9.819 6.751 78 1HB LEU 22 1HB LEU 22 88.947 10.495 8.789 79 2HB LEU 22 2HB LEU 22 87.490 9.604 9.185 80 HG LEU 22 HG LEU 22 89.365 7.619 9.220 81 1HD1 LEU 22 1HD1 LEU 22 91.361 8.678 9.129 82 2HD1 LEU 22 2HD1 LEU 22 91.065 8.876 10.857 83 3HD1 LEU 22 3HD1 LEU 22 90.709 10.197 9.745 84 1HD2 LEU 22 1HD2 LEU 22 89.181 7.747 11.647 85 2HD2 LEU 22 2HD2 LEU 22 87.617 8.028 10.884 86 3HD2 LEU 22 3HD2 LEU 22 88.543 9.386 11.523 87 H SER 23 H SER 23 89.552 6.862 6.912 88 HA SER 23 HA SER 23 91.989 8.143 5.869 89 1HB SER 23 1HB SER 23 91.905 6.611 8.069 90 2HB SER 23 2HB SER 23 92.109 5.345 6.859 91 HG SER 23 HG SER 23 93.840 7.416 7.590 92 H SER 24 H SER 24 89.302 6.511 4.875 93 HA SER 24 HA SER 24 90.291 4.513 3.189 94 1HB SER 24 1HB SER 24 87.776 5.701 3.718 95 2HB SER 24 2HB SER 24 88.013 5.770 1.972 96 HG SER 24 HG SER 24 87.502 3.630 3.568 97 H TYR 25 H TYR 25 90.468 7.918 2.918 98 HA TYR 25 HA TYR 25 91.079 7.790 0.063 99 1HB TYR 25 1HB TYR 25 90.324 9.953 1.957 100 2HB TYR 25 2HB TYR 25 91.409 10.397 0.644 101 HD1 TYR 25 HD1 TYR 25 90.631 9.549 -1.745 102 HD2 TYR 25 HD2 TYR 25 88.049 10.096 1.591 103 HE1 TYR 25 HE1 TYR 25 88.712 9.742 -3.270 104 HE2 TYR 25 HE2 TYR 25 86.121 10.290 0.075 105 HH TYR 25 HH TYR 25 86.057 11.063 -2.729 106 H TRP 26 H TRP 26 92.586 7.742 3.085 107 HA TRP 26 HA TRP 26 95.129 8.760 2.073 108 1HB TRP 26 1HB TRP 26 94.450 9.423 4.346 109 2HB TRP 26 2HB TRP 26 94.368 7.730 4.820 110 HD1 TRP 26 HD1 TRP 26 96.648 6.490 5.353 111 HE1 TRP 26 HE1 TRP 26 99.045 7.334 5.735 112 HE3 TRP 26 HE3 TRP 26 96.126 11.252 3.564 113 HZ2 TRP 26 HZ2 TRP 26 100.525 9.705 5.331 114 HZ3 TRP 26 HZ3 TRP 26 98.083 12.744 3.599 115 HH2 TRP 26 HH2 TRP 26 100.236 11.986 4.465 116 H GLU 27 H GLU 27 93.430 5.838 2.765 117 HA GLU 27 HA GLU 27 95.803 4.179 2.607 118 1HB GLU 27 1HB GLU 27 93.483 3.824 3.926 119 2HB GLU 27 2HB GLU 27 93.103 2.962 2.442 120 1HG GLU 27 1HG GLU 27 94.467 1.257 2.933 121 2HG GLU 27 2HG GLU 27 95.718 2.312 3.590 122 H SER 28 H SER 28 93.437 5.498 0.515 123 HA SER 28 HA SER 28 93.742 3.527 -1.564 124 1HB SER 28 1HB SER 28 91.708 5.099 -1.068 125 2HB SER 28 2HB SER 28 92.622 6.272 -2.009 126 HG SER 28 HG SER 28 91.038 4.605 -3.031 127 H ALA 29 H ALA 29 94.801 6.834 -0.963 128 HA ALA 29 HA ALA 29 96.159 7.335 -3.326 129 1HB ALA 29 1HB ALA 29 95.754 8.831 -1.220 130 2HB ALA 29 2HB ALA 29 97.154 9.120 -2.255 131 3HB ALA 29 3HB ALA 29 97.344 8.239 -0.738 132 H LYS 30 H LYS 30 96.982 5.253 -0.682 133 HA LYS 30 HA LYS 30 99.706 4.870 -1.646 134 1HB LYS 30 1HB LYS 30 98.200 3.897 0.774 135 2HB LYS 30 2HB LYS 30 99.767 3.232 0.331 136 1HG LYS 30 1HG LYS 30 99.586 6.175 0.490 137 2HG LYS 30 2HG LYS 30 99.464 5.287 2.011 138 1HD LYS 30 1HD LYS 30 101.567 4.100 1.422 139 2HD LYS 30 2HD LYS 30 101.702 5.126 -0.006 140 1HE LYS 30 1HE LYS 30 101.570 7.097 1.609 141 2HE LYS 30 2HE LYS 30 101.856 5.918 2.888 142 1HZ LYS 30 1HZ LYS 30 103.971 6.615 2.395 143 2HZ LYS 30 2HZ LYS 30 103.661 6.802 0.742 144 3HZ LYS 30 3HZ LYS 30 103.851 5.255 1.397 145 H THR 31 H THR 31 96.578 3.338 -1.704 146 HA THR 31 HA THR 31 97.594 0.771 -2.517 147 HB THR 31 HB THR 31 95.338 1.381 -1.301 148 HG1 THR 31 HG1 THR 31 94.868 -0.642 -1.656 149 1HG2 THR 31 1HG2 THR 31 94.658 2.643 -3.543 150 2HG2 THR 31 2HG2 THR 31 93.487 1.825 -2.511 151 3HG2 THR 31 3HG2 THR 31 94.100 1.023 -3.956 152 H ALA 32 H ALA 32 96.622 3.713 -4.073 153 HA ALA 32 HA ALA 32 96.644 2.399 -6.697 154 1HB ALA 32 1HB ALA 32 95.343 4.096 -7.517 155 2HB ALA 32 2HB ALA 32 95.984 5.285 -6.382 156 3HB ALA 32 3HB ALA 32 94.816 4.083 -5.834 157 H ALA 33 H ALA 33 98.903 3.554 -4.749 158 HA ALA 33 HA ALA 33 100.348 5.042 -6.830 159 1HB ALA 33 1HB ALA 33 101.880 5.697 -4.964 160 2HB ALA 33 2HB ALA 33 100.782 4.881 -3.850 161 3HB ALA 33 3HB ALA 33 100.223 6.271 -4.779 162 H GLN 34 H GLN 34 100.511 2.269 -4.681 163 HA GLN 34 HA GLN 34 103.141 1.480 -5.483 164 1HB GLN 34 1HB GLN 34 101.610 0.844 -3.365 165 2HB GLN 34 2HB GLN 34 101.269 -0.544 -4.388 166 1HG GLN 34 1HG GLN 34 103.087 -1.431 -3.459 167 2HG GLN 34 2HG GLN 34 103.980 -0.387 -4.564 168 1HE2 GLN 34 1HE2 GLN 34 103.908 2.023 -3.551 169 2HE2 GLN 34 2HE2 GLN 34 104.558 2.085 -1.952 170 H ASN 35 H ASN 35 99.997 1.145 -6.799 171 HA ASN 35 HA ASN 35 100.473 -1.232 -8.321 172 1HB ASN 35 1HB ASN 35 98.227 -0.033 -7.590 173 2HB ASN 35 2HB ASN 35 98.434 0.793 -9.126 174 1HD2 ASN 35 1HD2 ASN 35 99.016 -0.774 -10.967 175 2HD2 ASN 35 2HD2 ASN 35 98.049 -2.203 -11.058 176 H LEU 36 H LEU 36 100.085 2.188 -9.233 177 HA LEU 36 HA LEU 36 100.957 1.846 -11.897 178 1HB LEU 36 1HB LEU 36 101.316 4.435 -10.437 179 2HB LEU 36 2HB LEU 36 100.854 4.163 -12.107 180 HG LEU 36 HG LEU 36 99.128 3.810 -9.661 181 1HD1 LEU 36 1HD1 LEU 36 99.042 6.048 -10.135 182 2HD1 LEU 36 2HD1 LEU 36 97.739 5.449 -11.163 183 3HD1 LEU 36 3HD1 LEU 36 99.319 5.807 -11.859 184 1HD2 LEU 36 1HD2 LEU 36 98.779 2.020 -11.376 185 2HD2 LEU 36 2HD2 LEU 36 98.352 3.289 -12.525 186 3HD2 LEU 36 3HD2 LEU 36 97.371 3.041 -11.080 187 H TYR 37 H TYR 37 102.654 2.837 -8.955 188 HA TYR 37 HA TYR 37 105.140 3.348 -10.209 189 1HB TYR 37 1HB TYR 37 104.400 4.151 -7.922 190 2HB TYR 37 2HB TYR 37 104.748 2.529 -7.332 191 HD1 TYR 37 HD1 TYR 37 106.981 1.830 -6.903 192 HD2 TYR 37 HD2 TYR 37 106.251 5.564 -8.806 193 HE1 TYR 37 HE1 TYR 37 109.338 2.449 -6.577 194 HE2 TYR 37 HE2 TYR 37 108.607 6.193 -8.486 195 HH TYR 37 HH TYR 37 110.999 3.999 -7.647 196 H GLU 38 H GLU 38 103.528 0.451 -9.563 197 HA GLU 38 HA GLU 38 105.916 -1.157 -9.258 198 1HB GLU 38 1HB GLU 38 103.013 -1.583 -9.041 199 2HB GLU 38 2HB GLU 38 103.899 -2.944 -9.717 200 1HG GLU 38 1HG GLU 38 104.847 -1.642 -7.204 201 2HG GLU 38 2HG GLU 38 103.514 -2.795 -7.162 202 H LYS 39 H LYS 39 103.820 -0.084 -11.795 203 HA LYS 39 HA LYS 39 105.109 -1.945 -13.675 204 1HB LYS 39 1HB LYS 39 102.459 -1.538 -13.342 205 2HB LYS 39 2HB LYS 39 102.798 -0.332 -14.576 206 1HG LYS 39 1HG LYS 39 103.217 -1.880 -16.173 207 2HG LYS 39 2HG LYS 39 103.891 -3.040 -15.028 208 1HD LYS 39 1HD LYS 39 101.865 -3.991 -15.763 209 2HD LYS 39 2HD LYS 39 101.520 -3.334 -14.161 210 1HE LYS 39 1HE LYS 39 101.059 -1.584 -16.517 211 2HE LYS 39 2HE LYS 39 99.923 -2.904 -16.235 212 1HZ LYS 39 1HZ LYS 39 98.939 -1.370 -14.939 213 2HZ LYS 39 2HZ LYS 39 100.352 -0.468 -14.712 214 3HZ LYS 39 3HZ LYS 39 100.083 -1.864 -13.795 215 H THR 40 H THR 40 106.165 0.651 -12.586 216 HA THR 40 HA THR 40 106.713 1.888 -15.191 217 HB THR 40 HB THR 40 106.808 4.110 -13.958 218 HG1 THR 40 HG1 THR 40 105.427 2.563 -12.026 219 1HG2 THR 40 1HG2 THR 40 104.896 3.412 -15.422 220 2HG2 THR 40 2HG2 THR 40 104.506 4.585 -14.164 221 3HG2 THR 40 3HG2 THR 40 104.066 2.890 -13.956 222 H TYR 41 H TYR 41 107.740 1.544 -11.832 223 HA TYR 41 HA TYR 41 110.520 1.974 -12.698 224 1HB TYR 41 1HB TYR 41 109.460 3.503 -10.924 225 2HB TYR 41 2HB TYR 41 109.561 2.114 -9.848 226 HD1 TYR 41 HD1 TYR 41 111.640 1.447 -8.887 227 HD2 TYR 41 HD2 TYR 41 111.538 4.528 -11.820 228 HE1 TYR 41 HE1 TYR 41 113.969 2.027 -8.351 229 HE2 TYR 41 HE2 TYR 41 113.866 5.115 -11.292 230 HH TYR 41 HH TYR 41 115.852 4.072 -10.305 231 H LEU 42 H LEU 42 109.076 -0.516 -12.953 232 HA LEU 42 HA LEU 42 109.904 -2.290 -10.867 233 1HB LEU 42 1HB LEU 42 107.943 -2.564 -12.497 234 2HB LEU 42 2HB LEU 42 109.140 -3.110 -13.654 235 HG LEU 42 HG LEU 42 109.767 -4.750 -11.642 236 1HD1 LEU 42 1HD1 LEU 42 107.980 -3.700 -10.218 237 2HD1 LEU 42 2HD1 LEU 42 107.886 -5.453 -10.385 238 3HD1 LEU 42 3HD1 LEU 42 106.796 -4.420 -11.310 239 1HD2 LEU 42 1HD2 LEU 42 108.298 -6.425 -12.712 240 2HD2 LEU 42 2HD2 LEU 42 109.219 -5.473 -13.876 241 3HD2 LEU 42 3HD2 LEU 42 107.512 -5.126 -13.606 242 HA PRO 43 HA PRO 43 114.029 -2.623 -12.646 243 1HB PRO 43 1HB PRO 43 115.231 -3.684 -10.480 244 2HB PRO 43 2HB PRO 43 114.825 -1.969 -10.591 245 1HG PRO 43 1HG PRO 43 113.473 -4.142 -9.080 246 2HG PRO 43 2HG PRO 43 113.661 -2.431 -8.667 247 1HD PRO 43 1HD PRO 43 111.370 -3.612 -9.743 248 2HD PRO 43 2HD PRO 43 111.721 -1.875 -9.701 249 H ALA 44 H ALA 44 112.922 -5.282 -10.522 250 HA ALA 44 HA ALA 44 112.693 -7.236 -12.484 251 1HB ALA 44 1HB ALA 44 114.931 -7.255 -13.045 252 2HB ALA 44 2HB ALA 44 114.859 -8.522 -11.821 253 3HB ALA 44 3HB ALA 44 115.457 -6.919 -11.395 254 H VAL 45 H VAL 45 111.544 -6.383 -9.947 255 HA VAL 45 HA VAL 45 112.125 -8.391 -7.992 256 HB VAL 45 HB VAL 45 109.518 -6.949 -8.011 257 1HG1 VAL 45 1HG1 VAL 45 111.470 -7.819 -5.898 258 2HG1 VAL 45 2HG1 VAL 45 109.849 -8.444 -6.203 259 3HG1 VAL 45 3HG1 VAL 45 110.060 -6.815 -5.560 260 1HG2 VAL 45 1HG2 VAL 45 110.674 -5.030 -8.436 261 2HG2 VAL 45 2HG2 VAL 45 112.192 -5.679 -7.817 262 3HG2 VAL 45 3HG2 VAL 45 110.944 -5.134 -6.697 263 H ASP 46 H ASP 46 109.942 -8.037 -10.678 264 HA ASP 46 HA ASP 46 108.215 -10.203 -9.981 265 1HB ASP 46 1HB ASP 46 107.615 -8.313 -11.540 266 2HB ASP 46 2HB ASP 46 108.690 -9.038 -12.732 267 H GLU 47 H GLU 47 111.293 -9.885 -11.539 268 HA GLU 47 HA GLU 47 111.211 -12.731 -12.301 269 1HB GLU 47 1HB GLU 47 112.527 -10.349 -13.499 270 2HB GLU 47 2HB GLU 47 113.394 -11.876 -13.586 271 1HG GLU 47 1HG GLU 47 112.223 -11.875 -15.560 272 2HG GLU 47 2HG GLU 47 111.159 -12.805 -14.507 273 H LYS 48 H LYS 48 111.862 -11.346 -9.662 274 HA LYS 48 HA LYS 48 114.121 -13.010 -9.011 275 1HB LYS 48 1HB LYS 48 114.358 -10.025 -8.615 276 2HB LYS 48 2HB LYS 48 115.537 -11.240 -8.145 277 1HG LYS 48 1HG LYS 48 115.806 -11.826 -10.545 278 2HG LYS 48 2HG LYS 48 114.743 -10.475 -10.944 279 1HD LYS 48 1HD LYS 48 116.293 -8.892 -10.293 280 2HD LYS 48 2HD LYS 48 117.130 -10.006 -9.211 281 1HE LYS 48 1HE LYS 48 118.169 -11.126 -11.022 282 2HE LYS 48 2HE LYS 48 117.129 -10.329 -12.202 283 1HZ LYS 48 1HZ LYS 48 119.523 -9.485 -11.864 284 2HZ LYS 48 2HZ LYS 48 118.906 -8.729 -10.483 285 3HZ LYS 48 3HZ LYS 48 118.273 -8.354 -12.007 286 H LEU 49 H LEU 49 112.172 -10.265 -7.816 287 HA LEU 49 HA LEU 49 111.311 -9.855 -5.727 288 1HB LEU 49 1HB LEU 49 109.986 -11.866 -6.882 289 2HB LEU 49 2HB LEU 49 110.590 -12.729 -5.480 290 HG LEU 49 HG LEU 49 109.162 -10.129 -5.101 291 1HD1 LEU 49 1HD1 LEU 49 107.481 -11.076 -6.325 292 2HD1 LEU 49 2HD1 LEU 49 107.126 -11.751 -4.736 293 3HD1 LEU 49 3HD1 LEU 49 107.975 -12.724 -5.937 294 1HD2 LEU 49 1HD2 LEU 49 110.211 -11.044 -3.161 295 2HD2 LEU 49 2HD2 LEU 49 109.521 -12.638 -3.473 296 3HD2 LEU 49 3HD2 LEU 49 108.473 -11.298 -3.005 297 H ARG 50 H ARG 50 113.945 -10.094 -5.452 298 HA ARG 50 HA ARG 50 115.666 -10.590 -4.063 299 1HB ARG 50 1HB ARG 50 115.218 -10.513 -1.725 300 2HB ARG 50 2HB ARG 50 114.069 -9.437 -2.506 301 1HG ARG 50 1HG ARG 50 112.275 -10.781 -2.030 302 2HG ARG 50 2HG ARG 50 113.254 -12.245 -1.938 303 1HD ARG 50 1HD ARG 50 113.234 -12.031 0.273 304 2HD ARG 50 2HD ARG 50 114.227 -10.587 0.086 305 HE ARG 50 HE ARG 50 111.434 -10.700 0.758 306 1HH1 ARG 50 1HH1 ARG 50 113.967 -8.730 -0.612 307 2HH1 ARG 50 2HH1 ARG 50 113.172 -7.235 -0.253 308 1HH2 ARG 50 1HH2 ARG 50 110.386 -8.735 1.233 309 2HH2 ARG 50 2HH2 ARG 50 111.139 -7.237 0.795 310 H ASP 51 H ASP 51 114.654 -12.770 -5.613 311 HA ASP 51 HA ASP 51 115.330 -15.012 -3.819 312 1HB ASP 51 1HB ASP 51 112.923 -14.796 -4.918 313 2HB ASP 51 2HB ASP 51 113.750 -15.496 -6.306 314 H LEU 52 H LEU 52 115.669 -13.602 -7.026 315 HA LEU 52 HA LEU 52 117.579 -15.648 -7.817 316 1HB LEU 52 1HB LEU 52 116.071 -13.503 -9.177 317 2HB LEU 52 2HB LEU 52 117.664 -13.842 -9.828 318 HG LEU 52 HG LEU 52 115.832 -15.071 -10.970 319 1HD1 LEU 52 1HD1 LEU 52 117.043 -17.045 -11.232 320 2HD1 LEU 52 2HD1 LEU 52 117.607 -17.034 -9.561 321 3HD1 LEU 52 3HD1 LEU 52 118.256 -15.872 -10.719 322 1HD2 LEU 52 1HD2 LEU 52 114.568 -15.393 -8.757 323 2HD2 LEU 52 2HD2 LEU 52 115.632 -16.779 -8.514 324 3HD2 LEU 52 3HD2 LEU 52 114.565 -16.722 -9.917 325 H TYR 53 H TYR 53 117.955 -13.415 -5.694 326 HA TYR 53 HA TYR 53 120.492 -12.372 -6.748 327 1HB TYR 53 1HB TYR 53 118.314 -11.030 -5.556 328 2HB TYR 53 2HB TYR 53 119.610 -11.014 -4.370 329 HD1 TYR 53 HD1 TYR 53 121.914 -10.942 -6.393 330 HD2 TYR 53 HD2 TYR 53 118.303 -8.714 -6.079 331 HE1 TYR 53 HE1 TYR 53 122.973 -9.069 -7.583 332 HE2 TYR 53 HE2 TYR 53 119.351 -6.836 -7.270 333 HH TYR 53 HH TYR 53 122.561 -6.465 -7.656 334 H SER 54 H SER 54 118.868 -13.819 -3.981 335 HA SER 54 HA SER 54 119.638 -14.901 -2.133 336 1HB SER 54 1HB SER 54 121.616 -15.580 -4.257 337 2HB SER 54 2HB SER 54 122.002 -16.031 -2.598 338 HG SER 54 HG SER 54 120.455 -17.323 -4.258 339 H LYS 55 H LYS 55 120.105 -12.141 -2.171 340 HA LYS 55 HA LYS 55 121.225 -10.523 -1.030 341 1HB LYS 55 1HB LYS 55 122.034 -13.015 0.402 342 2HB LYS 55 2HB LYS 55 122.880 -11.521 0.778 343 1HG LYS 55 1HG LYS 55 121.258 -11.116 2.235 344 2HG LYS 55 2HG LYS 55 120.223 -10.786 0.845 345 1HD LYS 55 1HD LYS 55 119.002 -12.356 2.051 346 2HD LYS 55 2HD LYS 55 119.816 -13.335 0.829 347 1HE LYS 55 1HE LYS 55 120.245 -14.574 2.707 348 2HE LYS 55 2HE LYS 55 121.667 -13.533 2.678 349 1HZ LYS 55 1HZ LYS 55 120.987 -13.324 4.839 350 2HZ LYS 55 2HZ LYS 55 119.341 -13.448 4.469 351 3HZ LYS 55 3HZ LYS 55 120.175 -12.013 4.144 352 H SER 56 H SER 56 122.485 -12.117 -3.400 353 HA SER 56 HA SER 56 125.272 -12.025 -3.145 354 1HB SER 56 1HB SER 56 123.437 -11.852 -5.530 355 2HB SER 56 2HB SER 56 125.190 -11.773 -5.708 356 HG SER 56 HG SER 56 124.608 -13.900 -5.907 357 H THR 57 H THR 57 123.067 -9.647 -4.592 358 HA THR 57 HA THR 57 124.834 -7.504 -3.723 359 HB THR 57 HB THR 57 123.867 -7.558 -6.572 360 HG1 THR 57 HG1 THR 57 125.846 -8.362 -7.169 361 1HG2 THR 57 1HG2 THR 57 125.916 -6.070 -6.831 362 2HG2 THR 57 2HG2 THR 57 125.878 -5.926 -5.075 363 3HG2 THR 57 3HG2 THR 57 124.501 -5.384 -6.034 364 H ALA 58 H ALA 58 122.078 -8.596 -3.195 365 HA ALA 58 HA ALA 58 120.259 -6.575 -4.124 366 1HB ALA 58 1HB ALA 58 119.773 -9.043 -3.418 367 2HB ALA 58 2HB ALA 58 118.589 -7.780 -3.081 368 3HB ALA 58 3HB ALA 58 119.656 -8.352 -1.799 369 H ALA 59 H ALA 59 121.970 -7.312 -1.127 370 HA ALA 59 HA ALA 59 120.845 -5.129 0.338 371 1HB ALA 59 1HB ALA 59 122.963 -7.155 0.818 372 2HB ALA 59 2HB ALA 59 121.556 -6.734 1.795 373 3HB ALA 59 3HB ALA 59 122.979 -5.691 1.801 374 H MET 60 H MET 60 123.499 -5.514 -1.856 375 HA MET 60 HA MET 60 124.868 -3.117 -1.004 376 1HB MET 60 1HB MET 60 125.296 -5.213 -3.072 377 2HB MET 60 2HB MET 60 126.025 -3.637 -3.353 378 1HG MET 60 1HG MET 60 126.440 -4.751 -0.667 379 2HG MET 60 2HG MET 60 127.196 -5.644 -1.985 380 1HE MET 60 1HE MET 60 128.755 -2.123 0.132 381 2HE MET 60 2HE MET 60 127.447 -3.235 0.534 382 3HE MET 60 3HE MET 60 127.112 -1.786 -0.413 383 H SER 61 H SER 61 122.312 -3.916 -3.157 384 HA SER 61 HA SER 61 122.400 -1.185 -4.254 385 1HB SER 61 1HB SER 61 121.218 -3.512 -5.758 386 2HB SER 61 2HB SER 61 121.697 -1.933 -6.378 387 HG SER 61 HG SER 61 123.679 -2.618 -6.581 388 H THR 62 H THR 62 121.098 -1.702 -1.906 389 HA THR 62 HA THR 62 118.261 -1.894 -2.631 390 HB THR 62 HB THR 62 118.713 -1.770 0.202 391 HG1 THR 62 HG1 THR 62 120.649 -2.701 0.051 392 1HG2 THR 62 1HG2 THR 62 117.954 -4.350 -0.385 393 2HG2 THR 62 2HG2 THR 62 117.256 -3.398 -1.695 394 3HG2 THR 62 3HG2 THR 62 116.882 -2.999 -0.018 395 H TYR 63 H TYR 63 120.673 0.312 -1.738 396 HA TYR 63 HA TYR 63 119.491 2.193 -0.166 397 1HB TYR 63 1HB TYR 63 121.507 2.272 -2.320 398 2HB TYR 63 2HB TYR 63 120.743 3.806 -1.932 399 HD1 TYR 63 HD1 TYR 63 123.586 2.095 -1.346 400 HD2 TYR 63 HD2 TYR 63 120.443 3.917 0.868 401 HE1 TYR 63 HE1 TYR 63 125.099 2.356 0.575 402 HE2 TYR 63 HE2 TYR 63 121.948 4.184 2.795 403 HH TYR 63 HH TYR 63 124.429 4.340 3.188 404 H THR 64 H THR 64 118.710 1.396 -3.454 405 HA THR 64 HA THR 64 117.401 3.642 -4.356 406 HB THR 64 HB THR 64 116.409 0.808 -4.718 407 HG1 THR 64 HG1 THR 64 118.355 2.220 -6.221 408 1HG2 THR 64 1HG2 THR 64 115.779 1.636 -6.977 409 2HG2 THR 64 2HG2 THR 64 116.123 3.271 -6.414 410 3HG2 THR 64 3HG2 THR 64 114.841 2.328 -5.654 411 H GLY 65 H GLY 65 116.464 1.428 -1.843 412 1HA GLY 65 1HA GLY 65 113.854 2.790 -1.617 413 2HA GLY 65 2HA GLY 65 114.202 1.183 -0.996 414 H ILE 66 H ILE 66 116.918 2.758 -0.239 415 HA ILE 66 HA ILE 66 115.889 3.511 2.408 416 HB ILE 66 HB ILE 66 118.775 3.022 1.739 417 1HG1 ILE 66 1HG1 ILE 66 117.557 1.007 1.095 418 2HG1 ILE 66 2HG1 ILE 66 118.476 0.713 2.567 419 1HG2 ILE 66 1HG2 ILE 66 119.169 3.179 3.950 420 2HG2 ILE 66 2HG2 ILE 66 117.667 2.361 4.381 421 3HG2 ILE 66 3HG2 ILE 66 117.650 4.073 3.959 422 1HD1 ILE 66 1HD1 ILE 66 116.061 -0.157 2.394 423 2HD1 ILE 66 2HD1 ILE 66 115.604 1.515 2.715 424 3HD1 ILE 66 3HD1 ILE 66 116.581 0.628 3.884 425 H PHE 67 H PHE 67 117.134 4.831 -0.458 426 HA PHE 67 HA PHE 67 118.768 6.895 0.188 427 1HB PHE 67 1HB PHE 67 116.787 6.404 -1.895 428 2HB PHE 67 2HB PHE 67 116.985 8.119 -1.551 429 HD1 PHE 67 HD1 PHE 67 119.477 5.357 -1.502 430 HD2 PHE 67 HD2 PHE 67 118.196 8.987 -3.314 431 HE1 PHE 67 HE1 PHE 67 121.522 5.392 -2.868 432 HE2 PHE 67 HE2 PHE 67 120.238 9.029 -4.686 433 HZ PHE 67 HZ PHE 67 121.905 7.228 -4.464 434 H THR 68 H THR 68 115.374 6.620 0.956 435 HA THR 68 HA THR 68 115.426 9.293 2.177 436 HB THR 68 HB THR 68 112.957 7.629 1.726 437 HG1 THR 68 HG1 THR 68 112.818 8.344 -0.285 438 1HG2 THR 68 1HG2 THR 68 112.546 9.498 3.137 439 2HG2 THR 68 2HG2 THR 68 111.892 9.868 1.542 440 3HG2 THR 68 3HG2 THR 68 113.422 10.579 2.054 441 H ASP 69 H ASP 69 115.211 5.907 2.837 442 HA ASP 69 HA ASP 69 114.090 6.151 5.459 443 1HB ASP 69 1HB ASP 69 115.724 3.853 4.366 444 2HB ASP 69 2HB ASP 69 114.580 3.806 5.703 445 H GLN 70 H GLN 70 117.331 6.035 4.107 446 HA GLN 70 HA GLN 70 118.707 5.768 6.573 447 1HB GLN 70 1HB GLN 70 120.695 6.474 5.299 448 2HB GLN 70 2HB GLN 70 119.790 5.217 4.465 449 1HG GLN 70 1HG GLN 70 119.421 6.512 2.697 450 2HG GLN 70 2HG GLN 70 118.945 7.884 3.695 451 1HE2 GLN 70 1HE2 GLN 70 121.259 6.660 1.623 452 2HE2 GLN 70 2HE2 GLN 70 122.516 7.806 1.922 453 H VAL 71 H VAL 71 117.399 8.479 4.805 454 HA VAL 71 HA VAL 71 118.752 10.431 6.472 455 HB VAL 71 HB VAL 71 116.670 10.778 4.314 456 1HG1 VAL 71 1HG1 VAL 71 117.804 13.177 4.432 457 2HG1 VAL 71 2HG1 VAL 71 118.038 12.702 6.115 458 3HG1 VAL 71 3HG1 VAL 71 116.413 12.751 5.430 459 1HG2 VAL 71 1HG2 VAL 71 119.455 11.695 3.948 460 2HG2 VAL 71 2HG2 VAL 71 118.327 10.994 2.788 461 3HG2 VAL 71 3HG2 VAL 71 119.185 9.952 3.924 462 H LEU 72 H LEU 72 115.508 9.119 5.997 463 HA LEU 72 HA LEU 72 114.112 10.848 7.702 464 1HB LEU 72 1HB LEU 72 113.154 9.169 6.068 465 2HB LEU 72 2HB LEU 72 113.479 7.933 7.269 466 HG LEU 72 HG LEU 72 112.047 9.515 8.822 467 1HD1 LEU 72 1HD1 LEU 72 111.936 11.049 6.620 468 2HD1 LEU 72 2HD1 LEU 72 110.669 11.009 7.845 469 3HD1 LEU 72 3HD1 LEU 72 110.500 10.056 6.371 470 1HD2 LEU 72 1HD2 LEU 72 111.581 7.157 8.063 471 2HD2 LEU 72 2HD2 LEU 72 110.669 7.854 6.724 472 3HD2 LEU 72 3HD2 LEU 72 110.160 8.151 8.386 473 H SER 73 H SER 73 116.161 8.117 8.364 474 HA SER 73 HA SER 73 115.284 7.773 11.078 475 1HB SER 73 1HB SER 73 117.779 6.748 9.704 476 2HB SER 73 2HB SER 73 117.160 6.204 11.263 477 HG SER 73 HG SER 73 116.577 5.180 8.974 478 H VAL 74 H VAL 74 117.561 9.776 9.430 479 HA VAL 74 HA VAL 74 119.406 10.294 11.461 480 HB VAL 74 HB VAL 74 118.409 12.165 9.306 481 1HG1 VAL 74 1HG1 VAL 74 120.720 13.195 9.656 482 2HG1 VAL 74 2HG1 VAL 74 120.737 12.339 11.198 483 3HG1 VAL 74 3HG1 VAL 74 119.490 13.543 10.871 484 1HG2 VAL 74 1HG2 VAL 74 120.742 10.259 9.398 485 2HG2 VAL 74 2HG2 VAL 74 120.476 11.458 8.132 486 3HG2 VAL 74 3HG2 VAL 74 119.318 10.147 8.363 487 H LEU 75 H LEU 75 116.160 11.485 10.937 488 HA LEU 75 HA LEU 75 116.151 13.720 12.593 489 1HB LEU 75 1HB LEU 75 114.294 12.549 11.078 490 2HB LEU 75 2HB LEU 75 113.785 11.918 12.632 491 HG LEU 75 HG LEU 75 113.578 14.230 13.485 492 1HD1 LEU 75 1HD1 LEU 75 113.481 15.983 11.566 493 2HD1 LEU 75 2HD1 LEU 75 114.563 14.863 10.738 494 3HD1 LEU 75 3HD1 LEU 75 115.033 15.559 12.290 495 1HD2 LEU 75 1HD2 LEU 75 112.028 13.315 11.097 496 2HD2 LEU 75 2HD2 LEU 75 111.670 14.871 11.846 497 3HD2 LEU 75 3HD2 LEU 75 111.540 13.386 12.790 498 H LYS 76 H LYS 76 116.311 10.357 13.363 499 HA LYS 76 HA LYS 76 116.874 10.903 16.100 500 1HB LYS 76 1HB LYS 76 114.179 9.857 15.339 501 2HB LYS 76 2HB LYS 76 114.938 9.247 16.802 502 1HG LYS 76 1HG LYS 76 114.051 10.991 17.845 503 2HG LYS 76 2HG LYS 76 115.239 11.986 17.002 504 1HD LYS 76 1HD LYS 76 113.556 12.099 15.095 505 2HD LYS 76 2HD LYS 76 112.384 11.435 16.235 506 1HE LYS 76 1HE LYS 76 113.098 13.359 17.777 507 2HE LYS 76 2HE LYS 76 113.821 14.067 16.333 508 1HZ LYS 76 1HZ LYS 76 110.994 13.648 16.981 509 2HZ LYS 76 2HZ LYS 76 111.459 13.589 15.357 510 3HZ LYS 76 3HZ LYS 76 111.749 14.984 16.269 511 H GLY 77 H GLY 77 118.545 9.627 16.364 512 1HA GLY 77 1HA GLY 77 119.297 7.370 16.846 513 2HA GLY 77 2HA GLY 77 118.320 6.819 15.491 514 H GLU 78 H GLU 78 119.563 9.586 14.385 515 HA GLU 78 HA GLU 78 121.068 9.999 12.718 516 1HB GLU 78 1HB GLU 78 122.346 10.354 14.806 517 2HB GLU 78 2HB GLU 78 122.911 8.692 14.719 518 1HG GLU 78 1HG GLU 78 124.621 9.368 13.494 519 2HG GLU 78 2HG GLU 78 123.494 9.856 12.230 520 H GLU 79 H GLU 79 119.710 7.438 12.502 521 HA GLU 79 HA GLU 79 121.687 5.569 11.512 522 1HB GLU 79 1HB GLU 79 119.261 5.197 12.629 523 2HB GLU 79 2HB GLU 79 118.816 5.135 10.929 524 1HG GLU 79 1HG GLU 79 120.721 3.438 10.694 525 2HG GLU 79 2HG GLU 79 120.658 3.335 12.453
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