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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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11615 |
1rqv ![]() ![]() |
4429 | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H SER 1 H SER 1 -9.607 -42.738 7.391 2 HA SER 1 HA SER 1 -8.864 -40.996 8.449 3 1HB SER 1 1HB SER 1 -6.246 -41.753 7.084 4 2HB SER 1 2HB SER 1 -6.354 -40.518 8.323 5 HG SER 1 HG SER 1 -5.858 -42.360 9.458 6 H ILE 2 H ILE 2 -10.374 -39.838 6.840 7 HA ILE 2 HA ILE 2 -8.875 -38.185 4.953 8 HB ILE 2 HB ILE 2 -11.864 -38.465 5.237 9 1HG1 ILE 2 1HG1 ILE 2 -9.980 -40.060 3.474 10 2HG1 ILE 2 2HG1 ILE 2 -10.888 -40.679 4.839 11 1HG2 ILE 2 1HG2 ILE 2 -12.062 -37.312 3.264 12 2HG2 ILE 2 2HG2 ILE 2 -10.642 -36.508 3.974 13 3HG2 ILE 2 3HG2 ILE 2 -10.426 -37.744 2.712 14 1HD1 ILE 2 1HD1 ILE 2 -12.063 -41.196 2.735 15 2HD1 ILE 2 2HD1 ILE 2 -13.026 -40.051 3.700 16 3HD1 ILE 2 3HD1 ILE 2 -12.087 -39.469 2.304 17 H THR 3 H THR 3 -8.039 -37.359 7.276 18 HA THR 3 HA THR 3 -9.854 -35.541 8.559 19 HB THR 3 HB THR 3 -7.775 -35.052 9.912 20 HG1 THR 3 1HG THR 3 -5.869 -36.243 9.183 21 1HG2 THR 3 1HG2 THR 3 -9.146 -37.156 10.406 22 2HG2 THR 3 2HG2 THR 3 -8.038 -38.047 9.335 23 3HG2 THR 3 3HG2 THR 3 -7.422 -37.295 10.826 24 H LYS 4 H LYS 4 -9.151 -33.198 8.935 25 HA LYS 4 HA LYS 4 -8.883 -32.003 6.348 26 1HB LYS 4 1HB LYS 4 -9.568 -31.128 9.104 27 2HB LYS 4 2HB LYS 4 -8.827 -29.919 8.074 28 1HG LYS 4 1HG LYS 4 -10.668 -29.760 6.720 29 2HG LYS 4 2HG LYS 4 -10.905 -31.496 6.675 30 1HD LYS 4 1HD LYS 4 -11.586 -29.836 9.139 31 2HD LYS 4 2HD LYS 4 -12.740 -30.094 7.845 32 1HE LYS 4 1HE LYS 4 -13.128 -32.274 8.449 33 2HE LYS 4 2HE LYS 4 -11.432 -32.597 8.751 34 1HZ LYS 4 1HZ LYS 4 -13.003 -32.550 10.710 35 2HZ LYS 4 2HZ LYS 4 -11.594 -31.741 10.873 36 3HZ LYS 4 3HZ LYS 4 -12.977 -30.922 10.581 37 H ASP 5 H ASP 5 -6.872 -32.446 9.293 38 HA ASP 5 HA ASP 5 -4.877 -30.707 8.693 39 1HB ASP 5 1HB ASP 5 -4.983 -33.374 10.115 40 2HB ASP 5 2HB ASP 5 -3.417 -32.632 9.852 41 H GLN 6 H GLN 6 -5.453 -34.102 7.592 42 HA GLN 6 HA GLN 6 -2.991 -34.511 6.424 43 1HB GLN 6 1HB GLN 6 -3.900 -36.498 5.636 44 2HB GLN 6 2HB GLN 6 -5.041 -36.120 6.911 45 1HG GLN 6 1HG GLN 6 -6.548 -36.494 5.191 46 2HG GLN 6 2HG GLN 6 -6.284 -34.780 4.944 47 1HE2 GLN 6 1HE2 GLN 6 -7.160 -35.839 2.820 48 2HE2 GLN 6 2HE2 GLN 6 -5.964 -36.195 1.620 49 H ILE 7 H ILE 7 -5.865 -32.745 5.322 50 HA ILE 7 HA ILE 7 -5.067 -32.644 2.592 51 HB ILE 7 HB ILE 7 -7.129 -31.264 4.279 52 1HG1 ILE 7 1HG1 ILE 7 -7.522 -32.929 1.792 53 2HG1 ILE 7 2HG1 ILE 7 -7.320 -33.671 3.367 54 1HG2 ILE 7 1HG2 ILE 7 -7.939 -30.246 2.090 55 2HG2 ILE 7 2HG2 ILE 7 -6.515 -29.496 2.849 56 3HG2 ILE 7 3HG2 ILE 7 -6.311 -30.581 1.453 57 1HD1 ILE 7 1HD1 ILE 7 -9.270 -31.424 3.321 58 2HD1 ILE 7 2HD1 ILE 7 -9.734 -32.840 2.348 59 3HD1 ILE 7 3HD1 ILE 7 -9.397 -33.026 4.086 60 H ILE 8 H ILE 8 -4.279 -30.896 5.549 61 HA ILE 8 HA ILE 8 -3.429 -28.512 4.301 62 HB ILE 8 HB ILE 8 -2.690 -29.716 6.971 63 1HG1 ILE 8 1HG1 ILE 8 -5.106 -29.460 6.721 64 2HG1 ILE 8 2HG1 ILE 8 -4.465 -28.324 7.891 65 1HG2 ILE 8 1HG2 ILE 8 -2.206 -27.012 5.742 66 2HG2 ILE 8 2HG2 ILE 8 -2.356 -27.208 7.504 67 3HG2 ILE 8 3HG2 ILE 8 -1.080 -28.076 6.617 68 1HD1 ILE 8 1HD1 ILE 8 -5.196 -27.716 4.991 69 2HD1 ILE 8 2HD1 ILE 8 -6.047 -27.151 6.448 70 3HD1 ILE 8 3HD1 ILE 8 -4.409 -26.556 6.087 71 H GLU 9 H GLU 9 -1.663 -31.444 5.506 72 HA GLU 9 HA GLU 9 0.813 -30.503 4.631 73 1HB GLU 9 1HB GLU 9 1.619 -32.750 5.131 74 2HB GLU 9 2HB GLU 9 0.484 -32.264 6.374 75 1HG GLU 9 1HG GLU 9 -1.323 -33.560 5.288 76 2HG GLU 9 2HG GLU 9 -0.264 -33.973 3.955 77 H ALA 10 H ALA 10 -1.922 -31.694 2.921 78 HA ALA 10 HA ALA 10 -0.529 -33.018 0.821 79 1HB ALA 10 1HB ALA 10 -2.892 -33.471 1.477 80 2HB ALA 10 2HB ALA 10 -3.337 -31.843 0.912 81 3HB ALA 10 3HB ALA 10 -2.729 -33.051 -0.245 82 H VAL 11 H VAL 11 -1.862 -29.713 1.390 83 HA VAL 11 HA VAL 11 -1.173 -28.782 -1.197 84 HB VAL 11 HB VAL 11 -1.990 -27.535 1.411 85 1HG1 VAL 11 1HG1 VAL 11 -0.374 -25.978 0.457 86 2HG1 VAL 11 2HG1 VAL 11 -1.206 -26.042 -1.115 87 3HG1 VAL 11 3HG1 VAL 11 -2.023 -25.328 0.296 88 1HG2 VAL 11 1HG2 VAL 11 -3.248 -28.117 -1.240 89 2HG2 VAL 11 2HG2 VAL 11 -3.907 -28.291 0.404 90 3HG2 VAL 11 3HG2 VAL 11 -3.798 -26.680 -0.344 91 H ALA 12 H ALA 12 0.531 -29.225 1.870 92 HA ALA 12 HA ALA 12 2.723 -27.537 0.988 93 1HB ALA 12 1HB ALA 12 3.304 -27.472 3.193 94 2HB ALA 12 2HB ALA 12 1.627 -28.018 3.438 95 3HB ALA 12 3HB ALA 12 2.958 -29.201 3.442 96 H ALA 13 H ALA 13 1.658 -30.414 -0.028 97 HA ALA 13 HA ALA 13 4.307 -31.679 0.050 98 1HB ALA 13 1HB ALA 13 2.339 -33.445 -0.992 99 2HB ALA 13 2HB ALA 13 3.148 -33.524 0.592 100 3HB ALA 13 3HB ALA 13 1.609 -32.645 0.421 101 H MET 14 H MET 14 1.738 -30.279 -1.958 102 HA MET 14 HA MET 14 3.141 -31.167 -4.335 103 1HB MET 14 1HB MET 14 0.481 -29.670 -4.002 104 2HB MET 14 2HB MET 14 1.083 -30.334 -5.508 105 1HG MET 14 1HG MET 14 0.555 -32.513 -4.927 106 2HG MET 14 2HG MET 14 0.943 -32.273 -3.235 107 1HE MET 14 1HE MET 14 -2.278 -33.430 -4.895 108 2HE MET 14 2HE MET 14 -1.032 -33.970 -3.744 109 3HE MET 14 3HE MET 14 -2.639 -33.485 -3.153 110 H SER 15 H SER 15 3.140 -29.410 -6.200 111 HA SER 15 HA SER 15 4.589 -27.207 -5.138 112 1HB SER 15 1HB SER 15 4.360 -26.651 -7.808 113 2HB SER 15 2HB SER 15 5.586 -27.703 -7.129 114 HG SER 15 HG SER 15 4.221 -28.548 -8.986 115 H VAL 16 H VAL 16 4.080 -24.899 -5.719 116 HA VAL 16 HA VAL 16 1.554 -24.176 -4.917 117 HB VAL 16 HB VAL 16 3.555 -22.670 -6.614 118 1HG1 VAL 16 1HG1 VAL 16 1.322 -21.558 -4.884 119 2HG1 VAL 16 2HG1 VAL 16 2.472 -20.635 -5.881 120 3HG1 VAL 16 3HG1 VAL 16 1.263 -21.686 -6.658 121 1HG2 VAL 16 1HG2 VAL 16 3.317 -23.232 -3.686 122 2HG2 VAL 16 2HG2 VAL 16 4.764 -23.081 -4.712 123 3HG2 VAL 16 3HG2 VAL 16 3.889 -21.623 -4.187 124 H MET 17 H MET 17 2.881 -24.618 -8.246 125 HA MET 17 HA MET 17 0.742 -23.698 -9.650 126 1HB MET 17 1HB MET 17 2.906 -25.759 -10.061 127 2HB MET 17 2HB MET 17 1.575 -25.810 -11.199 128 1HG MET 17 1HG MET 17 2.015 -23.627 -12.023 129 2HG MET 17 2HG MET 17 2.892 -23.150 -10.583 130 1HE MET 17 1HE MET 17 4.653 -22.137 -12.277 131 2HE MET 17 2HE MET 17 5.590 -23.099 -13.446 132 3HE MET 17 3HE MET 17 3.851 -22.824 -13.710 133 H ASP 18 H ASP 18 1.279 -26.992 -8.251 134 HA ASP 18 HA ASP 18 -0.944 -28.149 -9.404 135 1HB ASP 18 1HB ASP 18 0.953 -29.344 -8.245 136 2HB ASP 18 2HB ASP 18 0.344 -28.775 -6.704 137 H VAL 19 H VAL 19 -0.462 -26.059 -6.563 138 HA VAL 19 HA VAL 19 -2.990 -26.674 -5.370 139 HB VAL 19 HB VAL 19 -1.006 -24.442 -4.886 140 1HG1 VAL 19 1HG1 VAL 19 -3.273 -25.431 -3.123 141 2HG1 VAL 19 2HG1 VAL 19 -2.114 -24.136 -2.737 142 3HG1 VAL 19 3HG1 VAL 19 -3.281 -23.920 -4.064 143 1HG2 VAL 19 1HG2 VAL 19 -0.316 -25.837 -2.935 144 2HG2 VAL 19 2HG2 VAL 19 -1.355 -27.145 -3.549 145 3HG2 VAL 19 3HG2 VAL 19 0.037 -26.590 -4.509 146 H VAL 20 H VAL 20 -1.629 -24.222 -7.601 147 HA VAL 20 HA VAL 20 -3.824 -22.490 -7.570 148 HB VAL 20 HB VAL 20 -1.630 -23.117 -9.530 149 1HG1 VAL 20 1HG1 VAL 20 -3.458 -22.459 -10.944 150 2HG1 VAL 20 2HG1 VAL 20 -3.879 -21.107 -9.865 151 3HG1 VAL 20 3HG1 VAL 20 -2.358 -21.068 -10.790 152 1HG2 VAL 20 1HG2 VAL 20 -0.789 -21.929 -7.688 153 2HG2 VAL 20 2HG2 VAL 20 -1.073 -20.675 -8.919 154 3HG2 VAL 20 3HG2 VAL 20 -2.228 -20.887 -7.581 155 H GLU 21 H GLU 21 -3.010 -25.341 -9.653 156 HA GLU 21 HA GLU 21 -5.203 -25.198 -11.278 157 1HB GLU 21 1HB GLU 21 -3.483 -27.488 -10.297 158 2HB GLU 21 2HB GLU 21 -4.863 -27.817 -11.325 159 1HG GLU 21 1HG GLU 21 -3.980 -26.496 -13.129 160 2HG GLU 21 2HG GLU 21 -2.805 -25.713 -12.093 161 H LEU 22 H LEU 22 -4.812 -26.857 -8.082 162 HA LEU 22 HA LEU 22 -7.279 -28.080 -7.991 163 1HB LEU 22 1HB LEU 22 -5.432 -28.524 -6.466 164 2HB LEU 22 2HB LEU 22 -5.606 -26.934 -5.752 165 HG LEU 22 HG LEU 22 -6.562 -28.891 -4.452 166 1HD1 LEU 22 1HD1 LEU 22 -8.253 -27.593 -3.495 167 2HD1 LEU 22 2HD1 LEU 22 -7.142 -26.401 -4.211 168 3HD1 LEU 22 3HD1 LEU 22 -8.663 -26.811 -5.040 169 1HD2 LEU 22 1HD2 LEU 22 -8.667 -29.831 -5.068 170 2HD2 LEU 22 2HD2 LEU 22 -8.822 -28.732 -6.459 171 3HD2 LEU 22 3HD2 LEU 22 -7.573 -30.001 -6.462 172 H ILE 23 H ILE 23 -6.417 -24.962 -6.327 173 HA ILE 23 HA ILE 23 -8.927 -24.235 -5.607 174 HB ILE 23 HB ILE 23 -6.512 -22.644 -6.417 175 1HG1 ILE 23 1HG1 ILE 23 -6.308 -23.905 -4.364 176 2HG1 ILE 23 2HG1 ILE 23 -6.399 -22.194 -3.999 177 1HG2 ILE 23 1HG2 ILE 23 -8.165 -21.089 -6.956 178 2HG2 ILE 23 2HG2 ILE 23 -9.232 -21.614 -5.632 179 3HG2 ILE 23 3HG2 ILE 23 -7.749 -20.699 -5.270 180 1HD1 ILE 23 1HD1 ILE 23 -8.333 -24.370 -3.373 181 2HD1 ILE 23 2HD1 ILE 23 -7.991 -22.863 -2.491 182 3HD1 ILE 23 3HD1 ILE 23 -9.064 -22.839 -3.911 183 H SER 24 H SER 24 -7.315 -23.691 -8.796 184 HA SER 24 HA SER 24 -9.302 -22.161 -9.895 185 1HB SER 24 1HB SER 24 -7.149 -23.963 -10.970 186 2HB SER 24 2HB SER 24 -8.381 -23.428 -12.096 187 HG SER 24 HG SER 24 -6.379 -22.038 -11.813 188 H ALA 25 H ALA 25 -8.954 -25.729 -9.606 189 HA ALA 25 HA ALA 25 -11.074 -26.426 -11.288 190 1HB ALA 25 1HB ALA 25 -10.251 -27.968 -8.817 191 2HB ALA 25 2HB ALA 25 -10.781 -28.590 -10.398 192 3HB ALA 25 3HB ALA 25 -9.173 -27.845 -10.228 193 H MET 26 H MET 26 -10.983 -26.304 -7.649 194 HA MET 26 HA MET 26 -13.623 -26.712 -7.246 195 1HB MET 26 1HB MET 26 -11.600 -24.959 -5.758 196 2HB MET 26 2HB MET 26 -13.193 -25.288 -5.105 197 1HG MET 26 1HG MET 26 -12.750 -27.696 -5.042 198 2HG MET 26 2HG MET 26 -11.250 -27.497 -5.926 199 1HE MET 26 1HE MET 26 -13.269 -26.552 -2.853 200 2HE MET 26 2HE MET 26 -12.070 -26.035 -1.643 201 3HE MET 26 3HE MET 26 -12.472 -24.969 -3.011 202 H GLU 27 H GLU 27 -11.948 -23.652 -8.102 203 HA GLU 27 HA GLU 27 -13.854 -21.848 -7.515 204 1HB GLU 27 1HB GLU 27 -11.695 -22.062 -9.556 205 2HB GLU 27 2HB GLU 27 -12.930 -20.873 -9.917 206 1HG GLU 27 1HG GLU 27 -12.619 -19.919 -7.585 207 2HG GLU 27 2HG GLU 27 -11.297 -21.044 -7.341 208 H GLU 28 H GLU 28 -13.694 -24.032 -10.379 209 HA GLU 28 HA GLU 28 -15.986 -22.828 -11.546 210 1HB GLU 28 1HB GLU 28 -14.212 -23.821 -12.941 211 2HB GLU 28 2HB GLU 28 -14.477 -25.393 -12.214 212 1HG GLU 28 1HG GLU 28 -16.628 -25.641 -13.232 213 2HG GLU 28 2HG GLU 28 -16.762 -23.929 -13.581 214 H LYS 29 H LYS 29 -15.231 -25.898 -9.788 215 HA LYS 29 HA LYS 29 -17.694 -27.109 -10.121 216 1HB LYS 29 1HB LYS 29 -15.750 -28.314 -9.341 217 2HB LYS 29 2HB LYS 29 -15.650 -27.330 -7.895 218 1HG LYS 29 1HG LYS 29 -16.744 -29.316 -7.172 219 2HG LYS 29 2HG LYS 29 -18.042 -28.150 -7.339 220 1HD LYS 29 1HD LYS 29 -17.612 -29.466 -9.897 221 2HD LYS 29 2HD LYS 29 -17.784 -30.683 -8.648 222 1HE LYS 29 1HE LYS 29 -19.728 -28.351 -8.971 223 2HE LYS 29 2HE LYS 29 -19.969 -29.907 -9.741 224 1HZ LYS 29 1HZ LYS 29 -19.392 -30.042 -6.939 225 2HZ LYS 29 2HZ LYS 29 -20.806 -29.309 -7.301 226 3HZ LYS 29 3HZ LYS 29 -20.523 -30.834 -7.810 227 H PHE 30 H PHE 30 -16.536 -25.312 -7.175 228 HA PHE 30 HA PHE 30 -19.193 -25.253 -6.152 229 1HB PHE 30 1HB PHE 30 -16.501 -23.948 -5.447 230 2HB PHE 30 2HB PHE 30 -17.925 -23.718 -4.452 231 HD1 PHE 30 1HD PHE 30 -18.840 -25.572 -3.141 232 HD2 PHE 30 2HD PHE 30 -15.319 -26.057 -5.459 233 HE1 PHE 30 1HE PHE 30 -18.307 -27.682 -1.890 234 HE2 PHE 30 2HE PHE 30 -14.786 -28.167 -4.208 235 HZ PHE 30 HZ PHE 30 -16.286 -28.954 -2.438 236 H GLY 31 H GLY 31 -17.654 -23.472 -8.576 237 1HA GLY 31 1HA GLY 31 -18.687 -21.764 -9.750 238 2HA GLY 31 2HA GLY 31 -19.656 -21.357 -8.348 239 H VAL 32 H VAL 32 -17.816 -19.707 -10.166 240 HA VAL 32 HA VAL 32 -15.530 -19.065 -8.615 241 HB VAL 32 HB VAL 32 -15.283 -17.241 -10.235 242 1HG1 VAL 32 1HG1 VAL 32 -14.383 -18.715 -11.652 243 2HG1 VAL 32 2HG1 VAL 32 -15.200 -20.001 -10.731 244 3HG1 VAL 32 3HG1 VAL 32 -15.986 -19.295 -12.164 245 1HG2 VAL 32 1HG2 VAL 32 -18.136 -17.816 -10.714 246 2HG2 VAL 32 2HG2 VAL 32 -17.203 -16.322 -10.973 247 3HG2 VAL 32 3HG2 VAL 32 -17.165 -17.618 -12.193 248 H SER 33 H SER 33 -18.908 -18.257 -8.455 249 HA SER 33 HA SER 33 -18.533 -15.712 -7.285 250 1HB SER 33 1HB SER 33 -20.944 -17.583 -7.293 251 2HB SER 33 2HB SER 33 -20.982 -15.921 -6.739 252 HG SER 33 HG SER 33 -21.497 -16.644 -9.161 253 H ALA 34 H ALA 34 -19.149 -19.071 -6.104 254 HA ALA 34 HA ALA 34 -19.404 -18.153 -3.386 255 1HB ALA 34 1HB ALA 34 -20.565 -20.068 -3.210 256 2HB ALA 34 2HB ALA 34 -20.237 -20.383 -4.931 257 3HB ALA 34 3HB ALA 34 -19.138 -21.019 -3.684 258 H ALA 35 H ALA 35 -16.932 -19.459 -5.562 259 HA ALA 35 HA ALA 35 -15.211 -20.141 -3.323 260 1HB ALA 35 1HB ALA 35 -14.991 -20.459 -6.341 261 2HB ALA 35 2HB ALA 35 -13.715 -20.942 -5.198 262 3HB ALA 35 3HB ALA 35 -15.309 -21.731 -5.137 263 H ALA 36 H ALA 36 -15.990 -17.454 -5.336 264 HA ALA 36 HA ALA 36 -13.676 -16.254 -5.982 265 1HB ALA 36 1HB ALA 36 -15.201 -14.173 -4.920 266 2HB ALA 36 2HB ALA 36 -15.325 -14.832 -6.569 267 3HB ALA 36 3HB ALA 36 -16.404 -15.433 -5.287 268 H ALA 37 H ALA 37 -15.189 -16.382 -2.703 269 HA ALA 37 HA ALA 37 -13.383 -14.604 -1.513 270 1HB ALA 37 1HB ALA 37 -15.234 -16.777 -0.491 271 2HB ALA 37 2HB ALA 37 -14.232 -15.799 0.608 272 3HB ALA 37 3HB ALA 37 -15.450 -15.012 -0.424 273 H VAL 38 H VAL 38 -13.383 -18.176 -1.980 274 HA VAL 38 HA VAL 38 -11.127 -18.582 -0.312 275 HB VAL 38 HB VAL 38 -12.585 -20.238 -2.366 276 1HG1 VAL 38 1HG1 VAL 38 -10.586 -21.322 -2.573 277 2HG1 VAL 38 2HG1 VAL 38 -9.995 -20.777 -0.984 278 3HG1 VAL 38 3HG1 VAL 38 -11.166 -22.114 -1.088 279 1HG2 VAL 38 1HG2 VAL 38 -12.352 -20.670 0.621 280 2HG2 VAL 38 2HG2 VAL 38 -13.627 -19.666 -0.111 281 3HG2 VAL 38 3HG2 VAL 38 -13.513 -21.396 -0.516 282 H ALA 39 H ALA 39 -11.665 -17.905 -3.782 283 HA ALA 39 HA ALA 39 -9.129 -18.745 -4.649 284 1HB ALA 39 1HB ALA 39 -9.820 -17.937 -6.719 285 2HB ALA 39 2HB ALA 39 -11.385 -18.194 -5.911 286 3HB ALA 39 3HB ALA 39 -10.691 -16.557 -6.009 287 H VAL 40 H VAL 40 -10.468 -15.519 -3.684 288 HA VAL 40 HA VAL 40 -8.015 -14.196 -4.248 289 HB VAL 40 HB VAL 40 -9.124 -12.273 -3.237 290 1HG1 VAL 40 1HG1 VAL 40 -11.443 -13.192 -4.723 291 2HG1 VAL 40 2HG1 VAL 40 -10.229 -11.963 -5.153 292 3HG1 VAL 40 3HG1 VAL 40 -9.931 -13.677 -5.528 293 1HG2 VAL 40 1HG2 VAL 40 -10.372 -12.880 -1.418 294 2HG2 VAL 40 2HG2 VAL 40 -11.670 -12.807 -2.634 295 3HG2 VAL 40 3HG2 VAL 40 -10.964 -14.376 -2.178 296 H ALA 41 H ALA 41 -9.419 -15.917 -1.497 297 HA ALA 41 HA ALA 41 -7.686 -14.686 0.423 298 1HB ALA 41 1HB ALA 41 -9.881 -15.445 1.105 299 2HB ALA 41 2HB ALA 41 -9.557 -17.085 0.494 300 3HB ALA 41 3HB ALA 41 -8.669 -16.471 1.909 301 H ALA 42 H ALA 42 -7.609 -17.429 -1.806 302 HA ALA 42 HA ALA 42 -5.356 -18.592 -0.361 303 1HB ALA 42 1HB ALA 42 -7.334 -19.978 -1.116 304 2HB ALA 42 2HB ALA 42 -6.849 -19.639 -2.795 305 3HB ALA 42 3HB ALA 42 -5.758 -20.545 -1.719 306 H GLY 43 H GLY 43 -6.152 -16.502 -3.025 307 1HA GLY 43 1HA GLY 43 -4.346 -17.092 -4.980 308 2HA GLY 43 2HA GLY 43 -4.855 -15.471 -4.552 309 HA PRO 44 HA PRO 44 -1.074 -14.631 -2.606 310 1HB PRO 44 1HB PRO 44 -1.478 -13.934 0.005 311 2HB PRO 44 2HB PRO 44 -1.829 -12.864 -1.337 312 1HG PRO 44 1HG PRO 44 -3.710 -14.393 0.355 313 2HG PRO 44 2HG PRO 44 -4.036 -13.021 -0.685 314 1HD PRO 44 1HD PRO 44 -4.628 -15.772 -1.238 315 2HD PRO 44 2HD PRO 44 -4.847 -14.414 -2.324 316 H VAL 45 H VAL 45 -2.790 -16.902 -0.582 317 HA VAL 45 HA VAL 45 -0.637 -17.748 0.927 318 HB VAL 45 HB VAL 45 -3.049 -19.274 -0.073 319 1HG1 VAL 45 1HG1 VAL 45 -2.486 -20.392 2.323 320 2HG1 VAL 45 2HG1 VAL 45 -1.886 -21.031 0.774 321 3HG1 VAL 45 3HG1 VAL 45 -0.839 -19.999 1.776 322 1HG2 VAL 45 1HG2 VAL 45 -2.657 -17.200 1.980 323 2HG2 VAL 45 2HG2 VAL 45 -4.144 -17.754 1.173 324 3HG2 VAL 45 3HG2 VAL 45 -3.498 -18.655 2.566 325 H GLU 46 H GLU 46 -1.676 -18.620 -2.394 326 HA GLU 46 HA GLU 46 0.079 -20.820 -2.537 327 1HB GLU 46 1HB GLU 46 -1.472 -19.256 -4.639 328 2HB GLU 46 2HB GLU 46 -0.481 -20.644 -5.042 329 1HG GLU 46 1HG GLU 46 -1.843 -22.145 -3.782 330 2HG GLU 46 2HG GLU 46 -2.572 -20.851 -2.850 331 H ALA 47 H ALA 47 0.173 -17.382 -3.632 332 HA ALA 47 HA ALA 47 2.506 -17.666 -5.174 333 1HB ALA 47 1HB ALA 47 0.928 -15.387 -3.982 334 2HB ALA 47 2HB ALA 47 2.507 -15.072 -4.741 335 3HB ALA 47 3HB ALA 47 1.194 -15.806 -5.691 336 H ALA 48 H ALA 48 1.864 -16.958 -1.720 337 HA ALA 48 HA ALA 48 4.319 -15.876 -1.061 338 1HB ALA 48 1HB ALA 48 3.609 -16.144 1.147 339 2HB ALA 48 2HB ALA 48 2.065 -16.184 0.261 340 3HB ALA 48 3HB ALA 48 2.814 -17.701 0.811 341 H GLU 49 H GLU 49 3.305 -19.255 -1.604 342 HA GLU 49 HA GLU 49 5.476 -20.373 -0.234 343 1HB GLU 49 1HB GLU 49 3.504 -21.458 -2.276 344 2HB GLU 49 2HB GLU 49 4.773 -22.463 -1.605 345 1HG GLU 49 1HG GLU 49 3.909 -21.729 0.731 346 2HG GLU 49 2HG GLU 49 2.508 -21.086 -0.103 347 H GLU 50 H GLU 50 5.070 -18.964 -3.416 348 HA GLU 50 HA GLU 50 7.414 -20.296 -4.422 349 1HB GLU 50 1HB GLU 50 5.368 -18.393 -5.590 350 2HB GLU 50 2HB GLU 50 6.885 -18.662 -6.424 351 1HG GLU 50 1HG GLU 50 6.458 -21.045 -6.627 352 2HG GLU 50 2HG GLU 50 5.100 -20.963 -5.522 353 H LYS 51 H LYS 51 6.800 -17.748 -2.343 354 HA LYS 51 HA LYS 51 7.857 -15.915 -1.708 355 1HB LYS 51 1HB LYS 51 10.015 -17.744 -2.597 356 2HB LYS 51 2HB LYS 51 10.479 -16.065 -2.409 357 1HG LYS 51 1HG LYS 51 10.813 -17.181 -0.271 358 2HG LYS 51 2HG LYS 51 9.466 -16.073 -0.098 359 1HD LYS 51 1HD LYS 51 8.077 -17.772 0.470 360 2HD LYS 51 2HD LYS 51 8.436 -18.616 -1.024 361 1HE LYS 51 1HE LYS 51 10.742 -18.917 0.654 362 2HE LYS 51 2HE LYS 51 9.347 -19.225 1.668 363 1HZ LYS 51 1HZ LYS 51 9.169 -21.172 0.693 364 2HZ LYS 51 2HZ LYS 51 8.909 -20.473 -0.760 365 3HZ LYS 51 3HZ LYS 51 10.428 -20.859 -0.299 366 H THR 52 H THR 52 6.333 -15.539 -3.964 367 HA THR 52 HA THR 52 8.006 -13.662 -5.494 368 HB THR 52 HB THR 52 6.518 -14.351 -7.474 369 HG1 THR 52 1HG THR 52 4.868 -15.362 -6.126 370 1HG2 THR 52 1HG2 THR 52 8.828 -15.366 -7.157 371 2HG2 THR 52 2HG2 THR 52 8.073 -16.662 -6.199 372 3HG2 THR 52 3HG2 THR 52 7.671 -16.480 -7.924 373 H GLU 53 H GLU 53 6.609 -13.013 -3.112 374 HA GLU 53 HA GLU 53 4.465 -11.422 -4.291 375 1HB GLU 53 1HB GLU 53 4.676 -12.647 -1.512 376 2HB GLU 53 2HB GLU 53 3.515 -11.394 -1.902 377 1HG GLU 53 1HG GLU 53 2.584 -12.837 -3.732 378 2HG GLU 53 2HG GLU 53 3.733 -14.093 -3.318 379 H PHE 54 H PHE 54 6.120 -9.797 -4.830 380 HA PHE 54 HA PHE 54 7.155 -8.411 -2.471 381 1HB PHE 54 1HB PHE 54 7.748 -8.471 -5.477 382 2HB PHE 54 2HB PHE 54 8.377 -7.172 -4.483 383 HD1 PHE 54 1HD PHE 54 8.357 -10.878 -4.785 384 HD2 PHE 54 2HD PHE 54 10.383 -7.449 -3.321 385 HE1 PHE 54 1HE PHE 54 10.325 -12.307 -4.164 386 HE2 PHE 54 2HE PHE 54 12.351 -8.878 -2.699 387 HZ PHE 54 HZ PHE 54 12.299 -11.289 -3.129 388 H ASP 55 H ASP 55 6.701 -6.204 -2.093 389 HA ASP 55 HA ASP 55 4.395 -5.287 -3.614 390 1HB ASP 55 1HB ASP 55 5.363 -4.566 -0.808 391 2HB ASP 55 2HB ASP 55 3.978 -3.824 -1.585 392 H VAL 56 H VAL 56 4.659 -3.381 -4.817 393 HA VAL 56 HA VAL 56 7.112 -1.851 -4.309 394 HB VAL 56 HB VAL 56 5.404 -2.062 -6.797 395 1HG1 VAL 56 1HG1 VAL 56 8.070 -0.676 -6.345 396 2HG1 VAL 56 2HG1 VAL 56 7.230 -0.841 -7.905 397 3HG1 VAL 56 3HG1 VAL 56 6.500 0.123 -6.600 398 1HG2 VAL 56 1HG2 VAL 56 7.984 -3.021 -7.323 399 2HG2 VAL 56 2HG2 VAL 56 7.538 -3.736 -5.755 400 3HG2 VAL 56 3HG2 VAL 56 6.491 -3.977 -7.174 401 H ILE 57 H ILE 57 6.750 -0.086 -3.069 402 HA ILE 57 HA ILE 57 4.144 1.228 -3.377 403 HB ILE 57 HB ILE 57 6.048 0.982 -1.063 404 1HG1 ILE 57 1HG1 ILE 57 3.079 0.529 -0.997 405 2HG1 ILE 57 2HG1 ILE 57 4.121 -0.695 -1.694 406 1HG2 ILE 57 1HG2 ILE 57 4.515 2.533 0.163 407 2HG2 ILE 57 2HG2 ILE 57 5.500 3.310 -1.100 408 3HG2 ILE 57 3HG2 ILE 57 3.781 2.959 -1.402 409 1HD1 ILE 57 1HD1 ILE 57 5.452 -0.803 0.389 410 2HD1 ILE 57 2HD1 ILE 57 4.460 0.494 1.099 411 3HD1 ILE 57 3HD1 ILE 57 3.729 -1.088 0.735 412 H LEU 58 H LEU 58 4.059 3.522 -3.610 413 HA LEU 58 HA LEU 58 6.602 4.643 -4.546 414 1HB LEU 58 1HB LEU 58 5.080 4.670 -6.306 415 2HB LEU 58 2HB LEU 58 3.732 5.115 -5.277 416 HG LEU 58 HG LEU 58 6.015 7.036 -5.628 417 1HD1 LEU 58 1HD1 LEU 58 5.512 6.402 -7.900 418 2HD1 LEU 58 2HD1 LEU 58 3.767 6.609 -7.614 419 3HD1 LEU 58 3HD1 LEU 58 4.848 8.023 -7.580 420 1HD2 LEU 58 1HD2 LEU 58 3.252 7.086 -4.603 421 2HD2 LEU 58 2HD2 LEU 58 4.663 8.085 -4.176 422 3HD2 LEU 58 3HD2 LEU 58 3.701 8.475 -5.622 423 H LYS 59 H LYS 59 7.622 6.039 -3.221 424 HA LYS 59 HA LYS 59 6.100 7.069 -0.966 425 1HB LYS 59 1HB LYS 59 9.074 6.916 -1.531 426 2HB LYS 59 2HB LYS 59 8.384 7.667 -0.106 427 1HG LYS 59 1HG LYS 59 7.119 5.396 0.234 428 2HG LYS 59 2HG LYS 59 8.257 4.742 -0.927 429 1HD LYS 59 1HD LYS 59 9.082 6.223 1.614 430 2HD LYS 59 2HD LYS 59 8.971 4.479 1.495 431 1HE LYS 59 1HE LYS 59 10.559 4.826 -0.627 432 2HE LYS 59 2HE LYS 59 10.937 6.348 0.156 433 1HZ LYS 59 1HZ LYS 59 11.309 3.651 1.233 434 2HZ LYS 59 2HZ LYS 59 12.440 4.801 0.981 435 3HZ LYS 59 3HZ LYS 59 11.356 4.973 2.191 436 H ALA 60 H ALA 60 8.468 8.282 -3.445 437 HA ALA 60 HA ALA 60 6.961 10.793 -3.438 438 1HB ALA 60 1HB ALA 60 9.994 10.677 -3.434 439 2HB ALA 60 2HB ALA 60 8.943 12.095 -3.207 440 3HB ALA 60 3HB ALA 60 9.044 10.850 -1.939 441 H ALA 61 H ALA 61 6.481 11.469 -5.480 442 HA ALA 61 HA ALA 61 7.247 9.866 -7.676 443 1HB ALA 61 1HB ALA 61 5.942 11.474 -8.965 444 2HB ALA 61 2HB ALA 61 5.091 11.112 -7.445 445 3HB ALA 61 3HB ALA 61 5.990 12.639 -7.620 446 H GLY 62 H GLY 62 8.630 12.660 -6.044 447 1HA GLY 62 1HA GLY 62 10.689 13.573 -6.332 448 2HA GLY 62 2HA GLY 62 10.964 12.538 -7.718 449 H ALA 63 H ALA 63 11.873 14.374 -8.885 450 HA ALA 63 HA ALA 63 10.025 16.545 -9.461 451 1HB ALA 63 1HB ALA 63 12.949 16.081 -10.175 452 2HB ALA 63 2HB ALA 63 12.025 17.562 -10.524 453 3HB ALA 63 3HB ALA 63 12.339 17.084 -8.838 454 H ASN 64 H ASN 64 9.203 13.973 -10.397 455 HA ASN 64 HA ASN 64 9.131 14.595 -13.190 456 1HB ASN 64 1HB ASN 64 11.131 12.922 -12.596 457 2HB ASN 64 2HB ASN 64 9.849 11.735 -12.458 458 1HD2 ASN 64 1HD2 ASN 64 12.046 11.983 -14.375 459 2HD2 ASN 64 2HD2 ASN 64 11.345 12.017 -15.959 460 H LYS 65 H LYS 65 6.991 14.932 -11.630 461 HA LYS 65 HA LYS 65 5.574 12.647 -10.856 462 1HB LYS 65 1HB LYS 65 5.338 15.316 -10.417 463 2HB LYS 65 2HB LYS 65 4.051 15.087 -11.583 464 1HG LYS 65 1HG LYS 65 3.230 13.123 -10.159 465 2HG LYS 65 2HG LYS 65 4.411 13.587 -8.949 466 1HD LYS 65 1HD LYS 65 2.286 15.495 -10.029 467 2HD LYS 65 2HD LYS 65 2.059 14.522 -8.590 468 1HE LYS 65 1HE LYS 65 3.014 16.243 -7.443 469 2HE LYS 65 2HE LYS 65 4.541 15.701 -8.111 470 1HZ LYS 65 1HZ LYS 65 4.341 17.924 -8.692 471 2HZ LYS 65 2HZ LYS 65 3.959 17.135 -10.070 472 3HZ LYS 65 3HZ LYS 65 2.780 17.794 -9.153 473 H VAL 66 H VAL 66 6.081 14.220 -13.964 474 HA VAL 66 HA VAL 66 3.734 13.332 -15.222 475 HB VAL 66 HB VAL 66 6.461 14.158 -16.213 476 1HG1 VAL 66 1HG1 VAL 66 5.831 12.936 -18.052 477 2HG1 VAL 66 2HG1 VAL 66 4.092 13.123 -17.723 478 3HG1 VAL 66 3HG1 VAL 66 5.017 14.475 -18.420 479 1HG2 VAL 66 1HG2 VAL 66 5.356 16.233 -16.820 480 2HG2 VAL 66 2HG2 VAL 66 3.782 15.586 -16.298 481 3HG2 VAL 66 3HG2 VAL 66 5.065 15.883 -15.100 482 H ALA 67 H ALA 67 7.139 12.063 -15.453 483 HA ALA 67 HA ALA 67 6.469 9.802 -16.900 484 1HB ALA 67 1HB ALA 67 8.752 10.707 -16.618 485 2HB ALA 67 2HB ALA 67 8.728 10.232 -14.902 486 3HB ALA 67 3HB ALA 67 8.679 8.985 -16.172 487 H VAL 68 H VAL 68 6.508 10.432 -13.359 488 HA VAL 68 HA VAL 68 6.222 7.809 -12.514 489 HB VAL 68 HB VAL 68 5.383 10.470 -11.378 490 1HG1 VAL 68 1HG1 VAL 68 3.837 8.858 -10.443 491 2HG1 VAL 68 2HG1 VAL 68 5.170 7.740 -10.066 492 3HG1 VAL 68 3HG1 VAL 68 5.042 9.294 -9.207 493 1HG2 VAL 68 1HG2 VAL 68 7.431 10.553 -10.458 494 2HG2 VAL 68 2HG2 VAL 68 7.384 8.840 -9.973 495 3HG2 VAL 68 3HG2 VAL 68 7.861 9.284 -11.630 496 H ILE 69 H ILE 69 3.645 10.320 -13.056 497 HA ILE 69 HA ILE 69 1.490 8.750 -12.490 498 HB ILE 69 HB ILE 69 1.928 11.067 -14.340 499 1HG1 ILE 69 1HG1 ILE 69 0.160 10.905 -11.900 500 2HG1 ILE 69 2HG1 ILE 69 1.886 11.171 -11.756 501 1HG2 ILE 69 1HG2 ILE 69 -0.570 11.201 -14.571 502 2HG2 ILE 69 2HG2 ILE 69 0.203 9.878 -15.478 503 3HG2 ILE 69 3HG2 ILE 69 -0.652 9.533 -13.955 504 1HD1 ILE 69 1HD1 ILE 69 0.881 13.353 -11.823 505 2HD1 ILE 69 2HD1 ILE 69 1.615 13.107 -13.426 506 3HD1 ILE 69 3HD1 ILE 69 -0.142 12.914 -13.213 507 H LYS 70 H LYS 70 3.477 8.865 -15.469 508 HA LYS 70 HA LYS 70 1.732 7.311 -17.029 509 1HB LYS 70 1HB LYS 70 4.666 8.001 -17.197 510 2HB LYS 70 2HB LYS 70 3.916 6.916 -18.351 511 1HG LYS 70 1HG LYS 70 2.146 8.729 -18.758 512 2HG LYS 70 2HG LYS 70 3.119 9.805 -17.776 513 1HD LYS 70 1HD LYS 70 4.965 8.681 -19.595 514 2HD LYS 70 2HD LYS 70 3.527 8.949 -20.559 515 1HE LYS 70 1HE LYS 70 3.440 11.328 -19.678 516 2HE LYS 70 2HE LYS 70 4.956 11.038 -18.848 517 1HZ LYS 70 1HZ LYS 70 4.592 10.721 -21.746 518 2HZ LYS 70 2HZ LYS 70 5.215 12.054 -21.037 519 3HZ LYS 70 3HZ LYS 70 6.003 10.628 -20.928 520 H ALA 71 H ALA 71 4.665 6.467 -15.067 521 HA ALA 71 HA ALA 71 4.644 3.758 -15.613 522 1HB ALA 71 1HB ALA 71 5.459 5.162 -13.037 523 2HB ALA 71 2HB ALA 71 6.030 3.577 -13.610 524 3HB ALA 71 3HB ALA 71 6.465 5.055 -14.501 525 H VAL 72 H VAL 72 2.854 5.687 -13.151 526 HA VAL 72 HA VAL 72 1.840 3.533 -11.715 527 HB VAL 72 HB VAL 72 0.758 6.310 -12.222 528 1HG1 VAL 72 1HG1 VAL 72 -0.561 5.966 -10.143 529 2HG1 VAL 72 2HG1 VAL 72 -1.068 4.899 -11.474 530 3HG1 VAL 72 3HG1 VAL 72 -0.072 4.255 -10.147 531 1HG2 VAL 72 1HG2 VAL 72 2.166 7.062 -10.641 532 2HG2 VAL 72 2HG2 VAL 72 1.869 5.664 -9.581 533 3HG2 VAL 72 3HG2 VAL 72 3.057 5.544 -10.901 534 H ARG 73 H ARG 73 -0.181 5.609 -13.893 535 HA ARG 73 HA ARG 73 -2.205 3.851 -14.092 536 1HB ARG 73 1HB ARG 73 -2.836 5.070 -16.191 537 2HB ARG 73 2HB ARG 73 -2.342 6.170 -14.920 538 1HG ARG 73 1HG ARG 73 -0.934 7.056 -16.481 539 2HG ARG 73 2HG ARG 73 0.083 5.667 -16.151 540 1HD ARG 73 1HD ARG 73 -0.707 4.471 -18.059 541 2HD ARG 73 2HD ARG 73 -2.153 5.453 -18.196 542 HE ARG 73 HE ARG 73 0.510 6.109 -19.228 543 1HH1 ARG 73 2HH2 ARG 73 -2.589 7.435 -18.218 544 2HH1 ARG 73 1HH2 ARG 73 -2.430 8.872 -19.172 545 1HH2 ARG 73 2HH1 ARG 73 0.719 8.003 -20.490 546 2HH2 ARG 73 1HH1 ARG 73 -0.533 9.200 -20.469 547 H GLY 74 H GLY 74 0.940 3.795 -15.710 548 1HA GLY 74 1HA GLY 74 0.217 2.107 -17.888 549 2HA GLY 74 2HA GLY 74 1.830 2.480 -17.314 550 H ALA 75 H ALA 75 1.311 1.607 -14.506 551 HA ALA 75 HA ALA 75 1.790 -1.201 -14.999 552 1HB ALA 75 1HB ALA 75 1.943 0.537 -12.503 553 2HB ALA 75 2HB ALA 75 2.421 -1.175 -12.583 554 3HB ALA 75 3HB ALA 75 3.303 0.040 -13.538 555 H THR 76 H THR 76 -0.798 0.936 -14.016 556 HA THR 76 HA THR 76 -2.321 -1.401 -13.060 557 HB THR 76 HB THR 76 -3.531 0.245 -11.627 558 HG1 THR 76 1HG THR 76 -1.476 2.121 -12.459 559 1HG2 THR 76 1HG2 THR 76 -1.452 -0.686 -10.619 560 2HG2 THR 76 2HG2 THR 76 -0.487 0.555 -11.453 561 3HG2 THR 76 3HG2 THR 76 -1.635 1.029 -10.178 562 H GLY 77 H GLY 77 -3.174 1.936 -14.172 563 1HA GLY 77 1HA GLY 77 -4.068 2.110 -16.462 564 2HA GLY 77 2HA GLY 77 -4.970 0.643 -16.139 565 H LEU 78 H LEU 78 -4.569 2.779 -13.399 566 HA LEU 78 HA LEU 78 -7.370 3.192 -13.244 567 1HB LEU 78 1HB LEU 78 -5.039 4.259 -11.651 568 2HB LEU 78 2HB LEU 78 -6.715 4.604 -11.272 569 HG LEU 78 HG LEU 78 -5.719 1.764 -11.473 570 1HD1 LEU 78 1HD1 LEU 78 -5.290 1.759 -9.076 571 2HD1 LEU 78 2HD1 LEU 78 -4.240 2.935 -9.903 572 3HD1 LEU 78 3HD1 LEU 78 -5.660 3.498 -8.988 573 1HD2 LEU 78 1HD2 LEU 78 -8.054 3.066 -10.047 574 2HD2 LEU 78 2HD2 LEU 78 -8.115 2.007 -11.477 575 3HD2 LEU 78 3HD2 LEU 78 -7.598 1.351 -9.905 576 H GLY 79 H GLY 79 -8.485 5.279 -13.223 577 1HA GLY 79 1HA GLY 79 -8.057 6.813 -15.476 578 2HA GLY 79 2HA GLY 79 -8.988 7.298 -14.073 579 H LEU 80 H LEU 80 -7.094 8.841 -15.892 580 HA LEU 80 HA LEU 80 -4.677 9.402 -14.863 581 1HB LEU 80 1HB LEU 80 -6.052 10.421 -16.822 582 2HB LEU 80 2HB LEU 80 -6.522 11.634 -15.647 583 HG LEU 80 HG LEU 80 -4.077 12.094 -15.249 584 1HD1 LEU 80 1HD1 LEU 80 -2.740 10.414 -15.944 585 2HD1 LEU 80 2HD1 LEU 80 -3.840 9.926 -17.255 586 3HD1 LEU 80 3HD1 LEU 80 -2.761 11.325 -17.472 587 1HD2 LEU 80 1HD2 LEU 80 -3.803 13.450 -17.259 588 2HD2 LEU 80 2HD2 LEU 80 -5.094 12.532 -18.070 589 3HD2 LEU 80 3HD2 LEU 80 -5.474 13.536 -16.651 590 H LYS 81 H LYS 81 -7.845 10.663 -13.647 591 HA LYS 81 HA LYS 81 -6.763 12.283 -11.662 592 1HB LYS 81 1HB LYS 81 -9.086 12.392 -12.509 593 2HB LYS 81 2HB LYS 81 -9.445 10.867 -11.725 594 1HG LYS 81 1HG LYS 81 -8.766 11.905 -9.510 595 2HG LYS 81 2HG LYS 81 -8.561 13.439 -10.333 596 1HD LYS 81 1HD LYS 81 -10.760 13.656 -9.574 597 2HD LYS 81 2HD LYS 81 -11.040 13.013 -11.180 598 1HE LYS 81 1HE LYS 81 -11.265 10.724 -10.272 599 2HE LYS 81 2HE LYS 81 -10.853 11.287 -8.665 600 1HZ LYS 81 1HZ LYS 81 -13.212 12.104 -10.215 601 2HZ LYS 81 2HZ LYS 81 -13.206 11.121 -8.911 602 3HZ LYS 81 3HZ LYS 81 -12.817 12.699 -8.746 603 H GLU 82 H GLU 82 -8.269 8.992 -11.273 604 HA GLU 82 HA GLU 82 -7.717 8.584 -8.709 605 1HB GLU 82 1HB GLU 82 -7.648 6.686 -11.070 606 2HB GLU 82 2HB GLU 82 -7.337 6.088 -9.453 607 1HG GLU 82 1HG GLU 82 -9.764 7.834 -9.878 608 2HG GLU 82 2HG GLU 82 -9.826 6.182 -10.458 609 H ALA 83 H ALA 83 -5.410 8.090 -11.454 610 HA ALA 83 HA ALA 83 -3.340 7.027 -9.912 611 1HB ALA 83 1HB ALA 83 -3.534 6.899 -12.387 612 2HB ALA 83 2HB ALA 83 -3.215 8.648 -12.488 613 3HB ALA 83 3HB ALA 83 -1.959 7.548 -11.871 614 H LYS 84 H LYS 84 -4.171 10.414 -10.867 615 HA LYS 84 HA LYS 84 -1.900 11.621 -9.850 616 1HB LYS 84 1HB LYS 84 -3.424 12.772 -11.327 617 2HB LYS 84 2HB LYS 84 -4.733 12.644 -10.170 618 1HG LYS 84 1HG LYS 84 -3.615 14.129 -8.604 619 2HG LYS 84 2HG LYS 84 -2.120 14.072 -9.516 620 1HD LYS 84 1HD LYS 84 -3.062 15.339 -11.343 621 2HD LYS 84 2HD LYS 84 -4.697 15.125 -10.750 622 1HE LYS 84 1HE LYS 84 -4.042 17.372 -10.156 623 2HE LYS 84 2HE LYS 84 -4.041 16.446 -8.669 624 1HZ LYS 84 1HZ LYS 84 -1.628 16.859 -10.288 625 2HZ LYS 84 2HZ LYS 84 -2.051 17.831 -9.045 626 3HZ LYS 84 3HZ LYS 84 -1.710 16.257 -8.772 627 H ASP 85 H ASP 85 -5.124 11.104 -8.254 628 HA ASP 85 HA ASP 85 -4.460 12.219 -5.865 629 1HB ASP 85 1HB ASP 85 -6.228 9.783 -6.392 630 2HB ASP 85 2HB ASP 85 -6.249 10.719 -4.910 631 H LEU 86 H LEU 86 -4.152 8.787 -7.021 632 HA LEU 86 HA LEU 86 -3.301 7.594 -4.720 633 1HB LEU 86 1HB LEU 86 -3.878 6.445 -6.795 634 2HB LEU 86 2HB LEU 86 -2.426 7.056 -7.561 635 HG LEU 86 HG LEU 86 -2.079 5.483 -5.050 636 1HD1 LEU 86 1HD1 LEU 86 -2.056 3.384 -6.570 637 2HD1 LEU 86 2HD1 LEU 86 -3.612 3.996 -5.958 638 3HD1 LEU 86 3HD1 LEU 86 -3.116 4.342 -7.632 639 1HD2 LEU 86 1HD2 LEU 86 -0.123 4.610 -6.355 640 2HD2 LEU 86 2HD2 LEU 86 -0.568 5.737 -7.660 641 3HD2 LEU 86 3HD2 LEU 86 -0.106 6.365 -6.060 642 H VAL 87 H VAL 87 -1.198 9.095 -7.279 643 HA VAL 87 HA VAL 87 1.180 8.658 -5.910 644 HB VAL 87 HB VAL 87 0.329 10.664 -7.997 645 1HG1 VAL 87 1HG1 VAL 87 3.039 10.227 -6.733 646 2HG1 VAL 87 2HG1 VAL 87 2.867 10.864 -8.387 647 3HG1 VAL 87 3HG1 VAL 87 2.166 11.753 -7.013 648 1HG2 VAL 87 1HG2 VAL 87 0.286 8.329 -8.710 649 2HG2 VAL 87 2HG2 VAL 87 1.617 9.199 -9.510 650 3HG2 VAL 87 3HG2 VAL 87 1.961 8.106 -8.148 651 H GLU 88 H GLU 88 -1.213 11.334 -5.779 652 HA GLU 88 HA GLU 88 0.496 12.991 -4.272 653 1HB GLU 88 1HB GLU 88 -2.460 13.052 -4.959 654 2HB GLU 88 2HB GLU 88 -1.770 14.235 -3.866 655 1HG GLU 88 1HG GLU 88 -0.066 14.823 -5.640 656 2HG GLU 88 2HG GLU 88 -0.854 13.702 -6.732 657 H SER 89 H SER 89 -1.292 10.176 -3.520 658 HA SER 89 HA SER 89 -1.743 11.066 -0.791 659 1HB SER 89 1HB SER 89 -3.301 9.213 -0.590 660 2HB SER 89 2HB SER 89 -3.670 10.086 -2.064 661 HG SER 89 HG SER 89 -2.875 7.456 -1.734 662 H ALA 90 H ALA 90 0.916 10.294 -2.047 663 HA ALA 90 HA ALA 90 1.704 7.746 -1.374 664 1HB ALA 90 1HB ALA 90 3.997 8.826 -1.212 665 2HB ALA 90 2HB ALA 90 3.098 9.183 -2.706 666 3HB ALA 90 3HB ALA 90 3.189 10.399 -1.409 667 HA PRO 91 HA PRO 91 3.319 6.805 -0.595 668 1HB PRO 91 1HB PRO 91 3.449 4.511 0.885 669 2HB PRO 91 2HB PRO 91 4.724 5.713 0.866 670 1HG PRO 91 1HG PRO 91 2.724 5.166 2.973 671 2HG PRO 91 2HG PRO 91 4.237 6.042 3.097 672 1HD PRO 91 1HD PRO 91 1.604 7.173 2.973 673 2HD PRO 91 2HD PRO 91 3.122 8.049 2.980 674 H ALA 92 H ALA 92 2.686 5.083 -2.002 675 HA ALA 92 HA ALA 92 -0.025 4.152 -1.477 676 1HB ALA 92 1HB ALA 92 -0.381 4.768 -4.041 677 2HB ALA 92 2HB ALA 92 -0.678 5.967 -2.760 678 3HB ALA 92 3HB ALA 92 0.846 6.005 -3.678 679 H ALA 93 H ALA 93 -0.302 2.043 -2.119 680 HA ALA 93 HA ALA 93 2.000 0.636 -3.003 681 1HB ALA 93 1HB ALA 93 0.525 -1.312 -2.860 682 2HB ALA 93 2HB ALA 93 0.284 -0.267 -1.440 683 3HB ALA 93 3HB ALA 93 -0.903 -0.253 -2.766 684 H LEU 94 H LEU 94 2.704 0.342 -5.057 685 HA LEU 94 HA LEU 94 0.962 1.136 -7.223 686 1HB LEU 94 1HB LEU 94 3.851 0.674 -6.811 687 2HB LEU 94 2HB LEU 94 3.239 0.257 -8.399 688 HG LEU 94 HG LEU 94 2.788 2.958 -7.107 689 1HD1 LEU 94 1HD1 LEU 94 4.621 3.817 -8.452 690 2HD1 LEU 94 2HD1 LEU 94 5.199 2.536 -7.359 691 3HD1 LEU 94 3HD1 LEU 94 4.951 2.187 -9.086 692 1HD2 LEU 94 1HD2 LEU 94 1.185 2.739 -8.769 693 2HD2 LEU 94 2HD2 LEU 94 2.523 3.553 -9.616 694 3HD2 LEU 94 3HD2 LEU 94 2.263 1.806 -9.835 695 H LYS 95 H LYS 95 2.705 -1.819 -6.062 696 HA LYS 95 HA LYS 95 0.573 -3.375 -7.293 697 1HB LYS 95 1HB LYS 95 3.421 -4.271 -7.672 698 2HB LYS 95 2HB LYS 95 1.975 -4.792 -8.513 699 1HG LYS 95 1HG LYS 95 1.775 -2.458 -9.498 700 2HG LYS 95 2HG LYS 95 3.305 -2.052 -8.748 701 1HD LYS 95 1HD LYS 95 4.037 -2.711 -10.865 702 2HD LYS 95 2HD LYS 95 4.187 -4.224 -9.995 703 1HE LYS 95 1HE LYS 95 1.870 -4.865 -10.799 704 2HE LYS 95 2HE LYS 95 1.825 -3.393 -11.748 705 1HZ LYS 95 1HZ LYS 95 2.584 -5.144 -13.109 706 2HZ LYS 95 2HZ LYS 95 3.875 -4.182 -12.835 707 3HZ LYS 95 3HZ LYS 95 3.733 -5.604 -12.044 708 H GLU 96 H GLU 96 0.390 -5.556 -6.343 709 HA GLU 96 HA GLU 96 1.834 -5.796 -3.839 710 1HB GLU 96 1HB GLU 96 -1.199 -5.968 -4.115 711 2HB GLU 96 2HB GLU 96 -0.309 -6.412 -2.673 712 1HG GLU 96 1HG GLU 96 0.655 -4.053 -2.624 713 2HG GLU 96 2HG GLU 96 -0.405 -3.644 -3.958 714 H GLY 97 H GLY 97 2.666 -7.834 -3.628 715 1HA GLY 97 1HA GLY 97 2.925 -10.056 -3.859 716 2HA GLY 97 2HA GLY 97 1.212 -10.177 -4.208 717 H VAL 98 H VAL 98 3.997 -8.567 -5.913 718 HA VAL 98 HA VAL 98 3.186 -10.067 -8.307 719 HB VAL 98 HB VAL 98 4.219 -8.165 -9.550 720 1HG1 VAL 98 1HG1 VAL 98 2.293 -6.759 -9.417 721 2HG1 VAL 98 2HG1 VAL 98 1.747 -8.421 -9.087 722 3HG1 VAL 98 3HG1 VAL 98 1.953 -7.269 -7.746 723 1HG2 VAL 98 1HG2 VAL 98 4.079 -6.624 -6.950 724 2HG2 VAL 98 2HG2 VAL 98 5.578 -7.394 -7.524 725 3HG2 VAL 98 3HG2 VAL 98 4.798 -6.128 -8.501 726 H SER 99 H SER 99 5.001 -10.631 -9.802 727 HA SER 99 HA SER 99 6.986 -11.957 -8.442 728 1HB SER 99 1HB SER 99 8.018 -12.277 -10.688 729 2HB SER 99 2HB SER 99 6.293 -12.585 -10.703 730 HG SER 99 HG SER 99 5.907 -10.686 -11.803 731 H LYS 100 H LYS 100 9.265 -11.538 -8.160 732 HA LYS 100 HA LYS 100 9.886 -8.949 -7.427 733 1HB LYS 100 1HB LYS 100 10.994 -11.002 -6.599 734 2HB LYS 100 2HB LYS 100 11.773 -11.208 -8.155 735 1HG LYS 100 1HG LYS 100 12.106 -8.499 -6.954 736 2HG LYS 100 2HG LYS 100 12.850 -9.795 -6.040 737 1HD LYS 100 1HD LYS 100 13.982 -10.576 -8.176 738 2HD LYS 100 2HD LYS 100 13.326 -9.171 -8.992 739 1HE LYS 100 1HE LYS 100 14.494 -7.693 -7.300 740 2HE LYS 100 2HE LYS 100 15.214 -9.123 -6.589 741 1HZ LYS 100 1HZ LYS 100 16.763 -8.366 -8.099 742 2HZ LYS 100 2HZ LYS 100 16.039 -9.576 -8.921 743 3HZ LYS 100 3HZ LYS 100 15.664 -8.023 -9.258 744 H ASP 101 H ASP 101 10.554 -10.739 -10.490 745 HA ASP 101 HA ASP 101 12.236 -8.954 -11.631 746 1HB ASP 101 1HB ASP 101 10.006 -10.598 -12.914 747 2HB ASP 101 2HB ASP 101 11.255 -9.788 -13.838 748 H ASP 102 H ASP 102 8.613 -9.023 -11.565 749 HA ASP 102 HA ASP 102 8.269 -6.907 -13.331 750 1HB ASP 102 1HB ASP 102 6.552 -8.164 -11.161 751 2HB ASP 102 2HB ASP 102 5.972 -6.766 -12.044 752 H ALA 103 H ALA 103 8.468 -7.188 -9.726 753 HA ALA 103 HA ALA 103 7.731 -4.592 -9.086 754 1HB ALA 103 1HB ALA 103 9.604 -6.564 -7.717 755 2HB ALA 103 2HB ALA 103 8.981 -5.078 -6.961 756 3HB ALA 103 3HB ALA 103 7.856 -6.372 -7.438 757 H GLU 104 H GLU 104 10.973 -6.023 -9.832 758 HA GLU 104 HA GLU 104 12.305 -3.615 -9.276 759 1HB GLU 104 1HB GLU 104 13.214 -6.054 -9.298 760 2HB GLU 104 2HB GLU 104 13.380 -5.850 -11.030 761 1HG GLU 104 1HG GLU 104 14.708 -3.690 -10.510 762 2HG GLU 104 2HG GLU 104 14.734 -4.219 -8.840 763 H ALA 105 H ALA 105 10.560 -4.873 -12.040 764 HA ALA 105 HA ALA 105 11.982 -3.550 -14.073 765 1HB ALA 105 1HB ALA 105 9.934 -4.039 -15.404 766 2HB ALA 105 2HB ALA 105 10.502 -5.455 -14.487 767 3HB ALA 105 3HB ALA 105 9.101 -4.523 -13.907 768 H LEU 106 H LEU 106 8.955 -2.716 -12.248 769 HA LEU 106 HA LEU 106 8.727 -0.181 -13.487 770 1HB LEU 106 1HB LEU 106 6.927 -1.617 -12.395 771 2HB LEU 106 2HB LEU 106 7.529 -1.031 -10.857 772 HG LEU 106 HG LEU 106 7.086 1.314 -11.648 773 1HD1 LEU 106 1HD1 LEU 106 7.059 1.237 -13.972 774 2HD1 LEU 106 2HD1 LEU 106 5.984 -0.181 -14.016 775 3HD1 LEU 106 3HD1 LEU 106 5.339 1.411 -13.548 776 1HD2 LEU 106 1HD2 LEU 106 5.556 0.220 -10.130 777 2HD2 LEU 106 2HD2 LEU 106 4.638 1.179 -11.316 778 3HD2 LEU 106 3HD2 LEU 106 4.735 -0.590 -11.486 779 H LYS 107 H LYS 107 10.235 -1.421 -10.470 780 HA LYS 107 HA LYS 107 10.720 0.971 -9.217 781 1HB LYS 107 1HB LYS 107 11.094 -1.415 -8.394 782 2HB LYS 107 2HB LYS 107 12.631 -1.375 -9.234 783 1HG LYS 107 1HG LYS 107 12.731 1.021 -7.864 784 2HG LYS 107 2HG LYS 107 11.789 0.048 -6.752 785 1HD LYS 107 1HD LYS 107 13.954 -0.477 -6.047 786 2HD LYS 107 2HD LYS 107 13.661 -1.782 -7.180 787 1HE LYS 107 1HE LYS 107 14.649 0.216 -8.850 788 2HE LYS 107 2HE LYS 107 15.555 0.497 -7.377 789 1HZ LYS 107 1HZ LYS 107 15.332 -2.095 -8.746 790 2HZ LYS 107 2HZ LYS 107 16.629 -1.103 -8.800 791 3HZ LYS 107 3HZ LYS 107 16.200 -1.810 -7.392 792 H LYS 108 H LYS 108 12.808 -0.762 -11.629 793 HA LYS 108 HA LYS 108 14.815 1.171 -11.635 794 1HB LYS 108 1HB LYS 108 15.652 0.036 -13.567 795 2HB LYS 108 2HB LYS 108 15.014 -1.168 -12.465 796 1HG LYS 108 1HG LYS 108 13.148 -1.631 -13.818 797 2HG LYS 108 2HG LYS 108 13.159 -0.047 -14.567 798 1HD LYS 108 1HD LYS 108 15.273 -0.653 -15.785 799 2HD LYS 108 2HD LYS 108 15.221 -2.248 -15.060 800 1HE LYS 108 1HE LYS 108 14.192 -2.607 -17.155 801 2HE LYS 108 2HE LYS 108 12.816 -2.422 -16.086 802 1HZ LYS 108 1HZ LYS 108 13.971 -0.339 -17.805 803 2HZ LYS 108 2HZ LYS 108 12.520 -1.065 -17.987 804 3HZ LYS 108 3HZ LYS 108 12.780 -0.067 -16.721 805 H ALA 109 H ALA 109 11.670 0.957 -13.286 806 HA ALA 109 HA ALA 109 12.183 2.920 -15.227 807 1HB ALA 109 1HB ALA 109 9.867 2.774 -15.666 808 2HB ALA 109 2HB ALA 109 10.287 1.162 -15.040 809 3HB ALA 109 3HB ALA 109 9.483 2.346 -13.982 810 H LEU 110 H LEU 110 10.884 3.028 -11.860 811 HA LEU 110 HA LEU 110 10.261 5.755 -11.890 812 1HB LEU 110 1HB LEU 110 10.730 3.675 -9.797 813 2HB LEU 110 2HB LEU 110 10.654 5.358 -9.314 814 HG LEU 110 HG LEU 110 8.513 3.853 -9.278 815 1HD1 LEU 110 1HD1 LEU 110 8.517 6.186 -8.647 816 2HD1 LEU 110 2HD1 LEU 110 8.522 6.685 -10.356 817 3HD1 LEU 110 3HD1 LEU 110 7.105 5.847 -9.678 818 1HD2 LEU 110 1HD2 LEU 110 7.170 3.939 -11.301 819 2HD2 LEU 110 2HD2 LEU 110 8.483 4.774 -12.166 820 3HD2 LEU 110 3HD2 LEU 110 8.707 3.097 -11.612 821 H GLU 111 H GLU 111 13.260 3.939 -11.050 822 HA GLU 111 HA GLU 111 14.623 6.133 -10.057 823 1HB GLU 111 1HB GLU 111 15.579 3.536 -11.325 824 2HB GLU 111 2HB GLU 111 16.687 4.704 -10.633 825 1HG GLU 111 1HG GLU 111 15.295 4.568 -8.469 826 2HG GLU 111 2HG GLU 111 14.455 3.209 -9.188 827 H GLU 112 H GLU 112 14.361 4.753 -13.381 828 HA GLU 112 HA GLU 112 16.263 6.309 -14.581 829 1HB GLU 112 1HB GLU 112 13.685 5.061 -15.577 830 2HB GLU 112 2HB GLU 112 14.694 5.998 -16.660 831 1HG GLU 112 1HG GLU 112 15.934 3.803 -14.973 832 2HG GLU 112 2HG GLU 112 15.073 3.388 -16.442 833 H ALA 113 H ALA 113 12.902 7.067 -13.628 834 HA ALA 113 HA ALA 113 12.923 9.570 -15.052 835 1HB ALA 113 1HB ALA 113 10.808 8.557 -14.966 836 2HB ALA 113 2HB ALA 113 11.000 8.072 -13.264 837 3HB ALA 113 3HB ALA 113 10.712 9.779 -13.675 838 H GLY 114 H GLY 114 13.614 8.301 -11.802 839 1HA GLY 114 1HA GLY 114 15.040 9.457 -10.340 840 2HA GLY 114 2HA GLY 114 14.530 10.984 -11.031 841 H ALA 115 H ALA 115 12.908 8.092 -9.520 842 HA ALA 115 HA ALA 115 11.505 9.981 -7.764 843 1HB ALA 115 1HB ALA 115 10.015 9.263 -9.608 844 2HB ALA 115 2HB ALA 115 10.319 7.561 -9.184 845 3HB ALA 115 3HB ALA 115 9.469 8.626 -8.038 846 H GLU 116 H GLU 116 10.693 8.906 -5.738 847 HA GLU 116 HA GLU 116 12.685 6.967 -4.927 848 1HB GLU 116 1HB GLU 116 12.289 9.134 -3.637 849 2HB GLU 116 2HB GLU 116 10.721 8.502 -3.174 850 1HG GLU 116 1HG GLU 116 12.184 7.935 -1.365 851 2HG GLU 116 2HG GLU 116 11.945 6.440 -2.248 852 H VAL 117 H VAL 117 12.163 4.829 -4.802 853 HA VAL 117 HA VAL 117 9.302 4.192 -4.578 854 HB VAL 117 HB VAL 117 11.516 2.599 -5.884 855 1HG1 VAL 117 1HG1 VAL 117 9.859 1.078 -5.145 856 2HG1 VAL 117 2HG1 VAL 117 8.532 2.166 -5.620 857 3HG1 VAL 117 3HG1 VAL 117 9.512 1.360 -6.868 858 1HG2 VAL 117 1HG2 VAL 117 11.250 4.394 -7.341 859 2HG2 VAL 117 2HG2 VAL 117 10.095 3.202 -7.986 860 3HG2 VAL 117 3HG2 VAL 117 9.512 4.557 -6.990 861 H GLU 118 H GLU 118 8.894 2.010 -3.493 862 HA GLU 118 HA GLU 118 10.956 1.484 -1.510 863 1HB GLU 118 1HB GLU 118 9.380 2.809 -0.290 864 2HB GLU 118 2HB GLU 118 8.005 2.011 -1.026 865 1HG GLU 118 1HG GLU 118 8.443 -0.054 0.182 866 2HG GLU 118 2HG GLU 118 10.006 0.521 0.727 867 H VAL 119 H VAL 119 11.424 -0.681 -1.281 868 HA VAL 119 HA VAL 119 9.491 -2.546 -2.475 869 HB VAL 119 HB VAL 119 12.504 -2.756 -2.312 870 1HG1 VAL 119 1HG1 VAL 119 11.444 -4.946 -2.202 871 2HG1 VAL 119 2HG1 VAL 119 10.446 -4.563 -3.625 872 3HG1 VAL 119 3HG1 VAL 119 12.211 -4.720 -3.792 873 1HG2 VAL 119 1HG2 VAL 119 10.663 -2.082 -4.627 874 2HG2 VAL 119 2HG2 VAL 119 11.943 -1.066 -3.921 875 3HG2 VAL 119 3HG2 VAL 119 12.371 -2.545 -4.814 876 H LYS 120 H LYS 120 8.525 -3.888 -1.047 877 HA LYS 120 HA LYS 120 10.056 -4.758 1.264 878 1HB LYS 120 1HB LYS 120 8.422 -4.085 2.873 879 2HB LYS 120 2HB LYS 120 8.884 -2.668 1.952 880 1HG LYS 120 1HG LYS 120 6.592 -2.404 1.822 881 2HG LYS 120 2HG LYS 120 6.800 -3.431 0.417 882 1HD LYS 120 1HD LYS 120 5.987 -5.350 1.519 883 2HD LYS 120 2HD LYS 120 6.401 -4.744 3.110 884 1HE LYS 120 1HE LYS 120 4.272 -3.384 1.412 885 2HE LYS 120 2HE LYS 120 3.882 -4.758 2.427 886 1HZ LYS 120 1HZ LYS 120 5.090 -2.243 3.350 887 2HZ LYS 120 2HZ LYS 120 3.547 -2.716 3.598 888 3HZ LYS 120 3HZ LYS 120 4.774 -3.530 4.304 889 1H SER 1 H SER 1 -4.546 -41.852 -2.113 890 HA SER 1 HA SER 1 -4.785 -41.497 -4.964 891 1HB SER 1 1HB SER 1 -7.085 -42.385 -3.172 892 2HB SER 1 2HB SER 1 -7.328 -41.684 -4.760 893 HG SER 1 HG SER 1 -7.314 -43.953 -4.976 894 H ILE 2 H ILE 2 -3.699 -39.465 -4.113 895 HA ILE 2 HA ILE 2 -5.713 -37.665 -2.955 896 HB ILE 2 HB ILE 2 -2.728 -37.357 -2.704 897 1HG1 ILE 2 1HG1 ILE 2 -4.638 -38.861 -0.904 898 2HG1 ILE 2 2HG1 ILE 2 -3.178 -39.459 -1.666 899 1HG2 ILE 2 1HG2 ILE 2 -4.345 -35.400 -2.396 900 2HG2 ILE 2 2HG2 ILE 2 -4.889 -36.236 -0.922 901 3HG2 ILE 2 3HG2 ILE 2 -3.190 -35.728 -1.082 902 1HD1 ILE 2 1HD1 ILE 2 -2.531 -39.013 0.581 903 2HD1 ILE 2 2HD1 ILE 2 -1.923 -37.612 -0.333 904 3HD1 ILE 2 3HD1 ILE 2 -3.420 -37.471 0.619 905 H THR 3 H THR 3 -6.274 -37.758 -5.431 906 HA THR 3 HA THR 3 -4.497 -36.104 -7.021 907 HB THR 3 HB THR 3 -6.219 -36.636 -8.788 908 HG1 THR 3 1HG THR 3 -8.088 -37.706 -8.056 909 1HG2 THR 3 1HG2 THR 3 -4.403 -38.419 -7.763 910 2HG2 THR 3 2HG2 THR 3 -5.919 -39.278 -7.400 911 3HG2 THR 3 3HG2 THR 3 -5.528 -38.834 -9.079 912 H LYS 4 H LYS 4 -5.322 -34.184 -8.189 913 HA LYS 4 HA LYS 4 -6.215 -32.284 -6.399 914 1HB LYS 4 1HB LYS 4 -5.932 -32.428 -9.380 915 2HB LYS 4 2HB LYS 4 -6.775 -31.060 -8.679 916 1HG LYS 4 1HG LYS 4 -4.839 -30.495 -7.285 917 2HG LYS 4 2HG LYS 4 -4.011 -31.966 -7.752 918 1HD LYS 4 1HD LYS 4 -4.870 -29.916 -9.831 919 2HD LYS 4 2HD LYS 4 -3.354 -29.751 -8.968 920 1HE LYS 4 1HE LYS 4 -2.353 -31.435 -10.153 921 2HE LYS 4 2HE LYS 4 -3.754 -32.482 -10.030 922 1HZ LYS 4 1HZ LYS 4 -3.330 -31.781 -12.288 923 2HZ LYS 4 2HZ LYS 4 -4.787 -31.238 -11.788 924 3HZ LYS 4 3HZ LYS 4 -3.521 -30.211 -11.881 925 H ASP 5 H ASP 5 -8.039 -34.223 -8.842 926 HA ASP 5 HA ASP 5 -10.420 -32.877 -8.526 927 1HB ASP 5 1HB ASP 5 -9.658 -35.673 -9.413 928 2HB ASP 5 2HB ASP 5 -11.354 -35.263 -9.250 929 H GLN 6 H GLN 6 -9.084 -35.878 -6.970 930 HA GLN 6 HA GLN 6 -11.307 -36.614 -5.580 931 1HB GLN 6 1HB GLN 6 -8.365 -37.054 -5.305 932 2HB GLN 6 2HB GLN 6 -9.318 -37.403 -3.877 933 1HG GLN 6 1HG GLN 6 -10.494 -39.145 -4.904 934 2HG GLN 6 2HG GLN 6 -10.349 -38.448 -6.506 935 1HE2 GLN 6 1HE2 GLN 6 -9.815 -40.752 -6.926 936 2HE2 GLN 6 2HE2 GLN 6 -8.157 -41.245 -6.846 937 H ILE 7 H ILE 7 -9.046 -33.962 -4.991 938 HA ILE 7 HA ILE 7 -9.771 -33.621 -2.252 939 HB ILE 7 HB ILE 7 -8.194 -32.026 -4.254 940 1HG1 ILE 7 1HG1 ILE 7 -7.244 -33.182 -1.637 941 2HG1 ILE 7 2HG1 ILE 7 -7.361 -34.183 -3.071 942 1HG2 ILE 7 1HG2 ILE 7 -9.007 -31.231 -1.454 943 2HG2 ILE 7 2HG2 ILE 7 -7.581 -30.558 -2.280 944 3HG2 ILE 7 3HG2 ILE 7 -9.205 -30.318 -2.969 945 1HD1 ILE 7 1HD1 ILE 7 -5.091 -33.056 -2.672 946 2HD1 ILE 7 2HD1 ILE 7 -5.798 -32.815 -4.288 947 3HD1 ILE 7 3HD1 ILE 7 -5.888 -31.516 -3.074 948 H ILE 8 H ILE 8 -10.873 -32.415 -5.426 949 HA ILE 8 HA ILE 8 -12.379 -30.264 -4.523 950 HB ILE 8 HB ILE 8 -12.790 -32.101 -6.884 951 1HG1 ILE 8 1HG1 ILE 8 -11.295 -29.479 -6.600 952 2HG1 ILE 8 2HG1 ILE 8 -10.588 -31.059 -6.874 953 1HG2 ILE 8 1HG2 ILE 8 -14.109 -30.302 -7.866 954 2HG2 ILE 8 2HG2 ILE 8 -14.840 -30.868 -6.344 955 3HG2 ILE 8 3HG2 ILE 8 -13.930 -29.339 -6.380 956 1HD1 ILE 8 1HD1 ILE 8 -12.241 -31.088 -8.975 957 2HD1 ILE 8 2HD1 ILE 8 -12.155 -29.321 -8.772 958 3HD1 ILE 8 3HD1 ILE 8 -10.669 -30.257 -9.060 959 H GLU 9 H GLU 9 -13.318 -33.730 -5.047 960 HA GLU 9 HA GLU 9 -15.932 -33.291 -4.148 961 1HB GLU 9 1HB GLU 9 -14.313 -35.868 -4.361 962 2HB GLU 9 2HB GLU 9 -16.044 -35.803 -4.093 963 1HG GLU 9 1HG GLU 9 -15.824 -34.166 -6.296 964 2HG GLU 9 2HG GLU 9 -14.488 -35.261 -6.585 965 H ALA 10 H ALA 10 -12.919 -33.466 -2.508 966 HA ALA 10 HA ALA 10 -13.880 -34.732 -0.130 967 1HB ALA 10 1HB ALA 10 -11.470 -34.618 -1.109 968 2HB ALA 10 2HB ALA 10 -11.407 -33.004 -0.361 969 3HB ALA 10 3HB ALA 10 -11.679 -34.444 0.650 970 H VAL 11 H VAL 11 -13.413 -31.389 -1.360 971 HA VAL 11 HA VAL 11 -13.958 -30.166 1.138 972 HB VAL 11 HB VAL 11 -13.894 -29.217 -1.724 973 1HG1 VAL 11 1HG1 VAL 11 -14.669 -27.733 0.776 974 2HG1 VAL 11 2HG1 VAL 11 -13.813 -26.888 -0.535 975 3HG1 VAL 11 3HG1 VAL 11 -15.383 -27.663 -0.853 976 1HG2 VAL 11 1HG2 VAL 11 -11.799 -29.912 -0.302 977 2HG2 VAL 11 2HG2 VAL 11 -11.764 -28.427 -1.284 978 3HG2 VAL 11 3HG2 VAL 11 -12.044 -28.327 0.471 979 H ALA 12 H ALA 12 -15.895 -31.465 -1.527 980 HA ALA 12 HA ALA 12 -18.276 -30.110 -0.574 981 1HB ALA 12 1HB ALA 12 -17.569 -30.562 -3.043 982 2HB ALA 12 2HB ALA 12 -18.145 -32.218 -2.739 983 3HB ALA 12 3HB ALA 12 -19.264 -30.843 -2.578 984 H ALA 13 H ALA 13 -16.511 -32.445 0.751 985 HA ALA 13 HA ALA 13 -18.716 -34.326 1.150 986 1HB ALA 13 1HB ALA 13 -15.910 -34.667 2.208 987 2HB ALA 13 2HB ALA 13 -17.090 -35.906 1.715 988 3HB ALA 13 3HB ALA 13 -16.249 -34.937 0.481 989 H MET 14 H MET 14 -16.770 -31.793 2.677 990 HA MET 14 HA MET 14 -17.998 -32.463 5.228 991 1HB MET 14 1HB MET 14 -15.700 -30.547 4.538 992 2HB MET 14 2HB MET 14 -16.233 -30.926 6.164 993 1HG MET 14 1HG MET 14 -15.115 -32.925 6.192 994 2HG MET 14 2HG MET 14 -15.655 -33.356 4.581 995 1HE MET 14 1HE MET 14 -11.767 -33.607 4.343 996 2HE MET 14 2HE MET 14 -13.006 -34.214 5.467 997 3HE MET 14 3HE MET 14 -13.266 -34.328 3.710 998 H SER 15 H SER 15 -18.449 -30.358 6.634 999 HA SER 15 HA SER 15 -20.361 -28.906 5.134 1000 1HB SER 15 1HB SER 15 -20.290 -27.634 7.559 1001 2HB SER 15 2HB SER 15 -21.217 -29.086 7.240 1002 HG SER 15 HG SER 15 -20.055 -29.799 8.925 1003 H VAL 16 H VAL 16 -20.463 -26.387 5.415 1004 HA VAL 16 HA VAL 16 -18.208 -25.304 4.184 1005 HB VAL 16 HB VAL 16 -20.572 -24.060 5.594 1006 1HG1 VAL 16 1HG1 VAL 16 -19.972 -21.993 4.286 1007 2HG1 VAL 16 2HG1 VAL 16 -18.850 -22.393 5.609 1008 3HG1 VAL 16 3HG1 VAL 16 -18.404 -22.753 3.923 1009 1HG2 VAL 16 1HG2 VAL 16 -19.967 -24.508 2.651 1010 2HG2 VAL 16 2HG2 VAL 16 -21.141 -25.415 3.635 1011 3HG2 VAL 16 3HG2 VAL 16 -21.403 -23.685 3.306 1012 H MET 17 H MET 17 -19.364 -25.241 7.608 1013 HA MET 17 HA MET 17 -17.441 -23.524 8.557 1014 1HB MET 17 1HB MET 17 -19.220 -25.688 9.670 1015 2HB MET 17 2HB MET 17 -17.894 -25.188 10.700 1016 1HG MET 17 1HG MET 17 -19.731 -23.131 9.412 1017 2HG MET 17 2HG MET 17 -20.171 -23.916 10.916 1018 1HE MET 17 1HE MET 17 -19.775 -20.714 10.737 1019 2HE MET 17 2HE MET 17 -20.321 -21.714 12.104 1020 3HE MET 17 3HE MET 17 -19.000 -20.543 12.330 1021 H ASP 18 H ASP 18 -17.392 -27.119 8.187 1022 HA ASP 18 HA ASP 18 -15.009 -27.516 9.514 1023 1HB ASP 18 1HB ASP 18 -16.877 -29.128 8.364 1024 2HB ASP 18 2HB ASP 18 -15.649 -29.215 7.118 1025 H VAL 19 H VAL 19 -15.819 -26.335 6.271 1026 HA VAL 19 HA VAL 19 -13.244 -26.850 5.141 1027 HB VAL 19 HB VAL 19 -15.704 -25.328 4.312 1028 1HG1 VAL 19 1HG1 VAL 19 -14.576 -24.968 2.102 1029 2HG1 VAL 19 2HG1 VAL 19 -13.892 -24.007 3.435 1030 3HG1 VAL 19 3HG1 VAL 19 -13.042 -25.461 2.859 1031 1HG2 VAL 19 1HG2 VAL 19 -14.322 -27.690 3.006 1032 2HG2 VAL 19 2HG2 VAL 19 -15.621 -27.847 4.213 1033 3HG2 VAL 19 3HG2 VAL 19 -15.942 -27.042 2.658 1034 H VAL 20 H VAL 20 -14.961 -24.077 6.665 1035 HA VAL 20 HA VAL 20 -13.117 -22.104 6.143 1036 HB VAL 20 HB VAL 20 -15.022 -22.657 8.399 1037 1HG1 VAL 20 1HG1 VAL 20 -13.411 -21.432 9.585 1038 2HG1 VAL 20 2HG1 VAL 20 -13.024 -20.402 8.185 1039 3HG1 VAL 20 3HG1 VAL 20 -14.572 -20.196 9.041 1040 1HG2 VAL 20 1HG2 VAL 20 -15.754 -21.962 6.049 1041 2HG2 VAL 20 2HG2 VAL 20 -16.368 -20.985 7.405 1042 3HG2 VAL 20 3HG2 VAL 20 -15.025 -20.378 6.407 1043 H GLU 21 H GLU 21 -13.129 -24.663 8.679 1044 HA GLU 21 HA GLU 21 -10.892 -23.712 10.019 1045 1HB GLU 21 1HB GLU 21 -12.225 -26.425 9.793 1046 2HB GLU 21 2HB GLU 21 -10.737 -26.248 10.702 1047 1HG GLU 21 1HG GLU 21 -11.747 -24.605 12.194 1048 2HG GLU 21 2HG GLU 21 -13.177 -24.482 11.188 1049 H LEU 22 H LEU 22 -11.292 -25.997 7.255 1050 HA LEU 22 HA LEU 22 -8.689 -26.867 7.053 1051 1HB LEU 22 1HB LEU 22 -10.746 -27.643 5.819 1052 2HB LEU 22 2HB LEU 22 -10.542 -26.271 4.748 1053 HG LEU 22 HG LEU 22 -9.645 -28.258 3.718 1054 1HD1 LEU 22 1HD1 LEU 22 -8.481 -25.965 3.533 1055 2HD1 LEU 22 2HD1 LEU 22 -7.209 -26.692 4.543 1056 3HD1 LEU 22 3HD1 LEU 22 -7.610 -27.410 2.965 1057 1HD2 LEU 22 1HD2 LEU 22 -8.867 -29.876 5.034 1058 2HD2 LEU 22 2HD2 LEU 22 -7.344 -28.957 5.106 1059 3HD2 LEU 22 3HD2 LEU 22 -8.569 -28.750 6.380 1060 H ILE 23 H ILE 23 -10.171 -24.165 5.117 1061 HA ILE 23 HA ILE 23 -7.831 -23.257 4.031 1062 HB ILE 23 HB ILE 23 -10.484 -22.048 4.647 1063 1HG1 ILE 23 1HG1 ILE 23 -10.414 -21.745 2.134 1064 2HG1 ILE 23 2HG1 ILE 23 -8.906 -22.637 2.131 1065 1HG2 ILE 23 1HG2 ILE 23 -9.722 -19.954 3.461 1066 2HG2 ILE 23 2HG2 ILE 23 -9.124 -20.164 5.125 1067 3HG2 ILE 23 3HG2 ILE 23 -8.051 -20.497 3.744 1068 1HD1 ILE 23 1HD1 ILE 23 -9.962 -24.621 3.026 1069 2HD1 ILE 23 2HD1 ILE 23 -11.457 -23.729 3.394 1070 3HD1 ILE 23 3HD1 ILE 23 -10.998 -24.036 1.702 1071 H SER 24 H SER 24 -9.267 -22.568 7.251 1072 HA SER 24 HA SER 24 -7.562 -20.470 7.859 1073 1HB SER 24 1HB SER 24 -9.325 -22.341 9.420 1074 2HB SER 24 2HB SER 24 -8.163 -21.388 10.321 1075 HG SER 24 HG SER 24 -10.440 -20.482 9.836 1076 H ALA 25 H ALA 25 -7.308 -24.033 8.258 1077 HA ALA 25 HA ALA 25 -5.219 -24.121 10.057 1078 1HB ALA 25 1HB ALA 25 -4.794 -26.324 8.508 1079 2HB ALA 25 2HB ALA 25 -6.077 -26.209 9.736 1080 3HB ALA 25 3HB ALA 25 -6.454 -25.903 8.023 1081 H MET 26 H MET 26 -5.112 -24.130 6.424 1082 HA MET 26 HA MET 26 -2.412 -24.287 6.167 1083 1HB MET 26 1HB MET 26 -4.576 -22.872 4.535 1084 2HB MET 26 2HB MET 26 -2.915 -22.911 3.977 1085 1HG MET 26 1HG MET 26 -3.039 -25.493 4.291 1086 2HG MET 26 2HG MET 26 -4.771 -25.281 4.450 1087 1HE MET 26 1HE MET 26 -6.116 -25.870 2.523 1088 2HE MET 26 2HE MET 26 -5.423 -26.161 0.909 1089 3HE MET 26 3HE MET 26 -4.775 -27.025 2.324 1090 H GLU 27 H GLU 27 -4.460 -21.315 6.511 1091 HA GLU 27 HA GLU 27 -2.609 -19.420 6.110 1092 1HB GLU 27 1HB GLU 27 -5.004 -19.624 7.918 1093 2HB GLU 27 2HB GLU 27 -3.960 -18.231 8.112 1094 1HG GLU 27 1HG GLU 27 -4.156 -17.821 5.604 1095 2HG GLU 27 2HG GLU 27 -5.335 -19.115 5.533 1096 H GLU 28 H GLU 28 -3.186 -21.266 9.169 1097 HA GLU 28 HA GLU 28 -1.151 -19.839 10.526 1098 1HB GLU 28 1HB GLU 28 -3.227 -20.963 11.550 1099 2HB GLU 28 2HB GLU 28 -2.396 -22.492 11.348 1100 1HG GLU 28 1HG GLU 28 -0.421 -21.409 12.646 1101 2HG GLU 28 2HG GLU 28 -1.538 -20.124 13.061 1102 H LYS 29 H LYS 29 -1.484 -23.133 9.063 1103 HA LYS 29 HA LYS 29 0.907 -24.193 9.877 1104 1HB LYS 29 1HB LYS 29 -0.796 -25.520 8.808 1105 2HB LYS 29 2HB LYS 29 -0.664 -24.604 7.320 1106 1HG LYS 29 1HG LYS 29 0.643 -26.510 6.854 1107 2HG LYS 29 2HG LYS 29 1.853 -25.333 7.327 1108 1HD LYS 29 1HD LYS 29 1.334 -26.347 9.781 1109 2HD LYS 29 2HD LYS 29 0.848 -27.739 8.834 1110 1HE LYS 29 1HE LYS 29 3.124 -27.502 7.603 1111 2HE LYS 29 2HE LYS 29 3.576 -26.382 8.871 1112 1HZ LYS 29 1HZ LYS 29 3.187 -29.227 9.016 1113 2HZ LYS 29 2HZ LYS 29 4.223 -28.273 9.842 1114 3HZ LYS 29 3HZ LYS 29 2.663 -28.381 10.311 1115 H PHE 30 H PHE 30 0.330 -22.672 6.622 1116 HA PHE 30 HA PHE 30 3.115 -22.423 6.173 1117 1HB PHE 30 1HB PHE 30 0.597 -21.171 4.922 1118 2HB PHE 30 2HB PHE 30 2.189 -21.041 4.201 1119 HD1 PHE 30 1HD PHE 30 3.367 -23.195 3.509 1120 HD2 PHE 30 2HD PHE 30 -0.754 -23.045 4.506 1121 HE1 PHE 30 1HE PHE 30 2.995 -25.361 2.298 1122 HE2 PHE 30 2HE PHE 30 -1.127 -25.211 3.295 1123 HZ PHE 30 HZ PHE 30 0.753 -26.344 2.205 1124 H GLY 31 H GLY 31 1.097 -20.755 8.274 1125 1HA GLY 31 1HA GLY 31 1.117 -18.703 9.214 1126 2HA GLY 31 2HA GLY 31 2.858 -18.866 9.094 1127 H VAL 32 H VAL 32 0.260 -18.419 6.586 1128 HA VAL 32 HA VAL 32 1.869 -16.250 5.479 1129 HB VAL 32 HB VAL 32 1.240 -18.063 3.994 1130 1HG1 VAL 32 1HG1 VAL 32 -0.717 -19.022 4.802 1131 2HG1 VAL 32 2HG1 VAL 32 -1.536 -17.452 4.987 1132 3HG1 VAL 32 3HG1 VAL 32 -1.295 -18.144 3.365 1133 1HG2 VAL 32 1HG2 VAL 32 0.919 -16.678 2.244 1134 2HG2 VAL 32 2HG2 VAL 32 -0.569 -15.985 2.933 1135 3HG2 VAL 32 3HG2 VAL 32 1.021 -15.388 3.466 1136 H SER 33 H SER 33 0.720 -15.636 7.953 1137 HA SER 33 HA SER 33 -1.145 -13.617 7.087 1138 1HB SER 33 1HB SER 33 -1.767 -15.511 9.397 1139 2HB SER 33 2HB SER 33 -2.728 -14.119 8.939 1140 HG SER 33 HG SER 33 -2.851 -15.232 6.736 1141 H ALA 34 H ALA 34 1.215 -12.719 7.522 1142 HA ALA 34 HA ALA 34 1.115 -11.087 9.724 1143 1HB ALA 34 1HB ALA 34 2.348 -13.763 10.251 1144 2HB ALA 34 2HB ALA 34 3.186 -12.334 10.903 1145 3HB ALA 34 3HB ALA 34 1.496 -12.659 11.358 1146 H ALA 35 H ALA 35 1.679 -9.845 7.776 1147 HA ALA 35 HA ALA 35 4.581 -9.844 7.412 1148 1HB ALA 35 1HB ALA 35 3.260 -11.090 5.546 1149 2HB ALA 35 2HB ALA 35 2.702 -9.469 5.070 1150 3HB ALA 35 3HB ALA 35 4.440 -9.849 5.062 1151 H ALA 36 H ALA 36 1.728 -8.089 6.008 1152 HA ALA 36 HA ALA 36 2.597 -5.704 7.449 1153 1HB ALA 36 1HB ALA 36 1.852 -5.228 4.627 1154 2HB ALA 36 2HB ALA 36 3.171 -4.528 5.596 1155 3HB ALA 36 3HB ALA 36 3.374 -6.127 4.839 1156 H ALA 37 H ALA 37 0.280 -6.457 4.757 1157 HA ALA 37 HA ALA 37 -1.897 -6.092 4.573 1158 1HB ALA 37 1HB ALA 37 -3.300 -6.829 6.511 1159 2HB ALA 37 2HB ALA 37 -2.025 -7.996 6.087 1160 3HB ALA 37 3HB ALA 37 -1.822 -6.931 7.499 1161 H VAL 38 H VAL 38 -3.904 -4.898 5.913 1162 HA VAL 38 HA VAL 38 -2.759 -2.276 6.578 1163 HB VAL 38 HB VAL 38 -4.100 -2.492 4.478 1164 1HG1 VAL 38 1HG1 VAL 38 -6.181 -3.366 6.458 1165 2HG1 VAL 38 2HG1 VAL 38 -6.679 -2.449 5.016 1166 3HG1 VAL 38 3HG1 VAL 38 -5.817 -3.995 4.833 1167 1HG2 VAL 38 1HG2 VAL 38 -4.843 -0.354 4.686 1168 2HG2 VAL 38 2HG2 VAL 38 -5.707 -0.682 6.207 1169 3HG2 VAL 38 3HG2 VAL 38 -3.944 -0.437 6.219 1170 H ALA 39 H ALA 39 -4.115 -0.973 8.154 1171 HA ALA 39 HA ALA 39 -4.505 -2.557 10.472 1172 1HB ALA 39 1HB ALA 39 -3.769 -0.480 11.077 1173 2HB ALA 39 2HB ALA 39 -4.552 0.318 9.692 1174 3HB ALA 39 3HB ALA 39 -5.511 -0.121 11.125 1175 H VAL 40 H VAL 40 -6.894 -0.072 9.518 1176 HA VAL 40 HA VAL 40 -9.099 -0.119 9.418 1177 HB VAL 40 HB VAL 40 -8.754 -2.982 8.507 1178 1HG1 VAL 40 1HG1 VAL 40 -11.051 -1.087 8.595 1179 2HG1 VAL 40 2HG1 VAL 40 -10.875 -2.075 7.125 1180 3HG1 VAL 40 3HG1 VAL 40 -11.019 -2.863 8.715 1181 1HG2 VAL 40 1HG2 VAL 40 -8.839 -1.968 6.200 1182 2HG2 VAL 40 2HG2 VAL 40 -8.617 -0.375 6.963 1183 3HG2 VAL 40 3HG2 VAL 40 -7.355 -1.621 7.120 1184 H ALA 41 H ALA 41 -8.609 -0.004 11.888 1185 HA ALA 41 HA ALA 41 -9.707 -2.381 13.207 1186 1HB ALA 41 1HB ALA 41 -8.792 -1.114 15.272 1187 2HB ALA 41 2HB ALA 41 -7.611 -1.833 14.152 1188 3HB ALA 41 3HB ALA 41 -7.941 -0.085 14.095 1189 H ALA 42 H ALA 42 -11.917 -1.931 12.564 1190 HA ALA 42 HA ALA 42 -13.051 0.598 13.335 1191 1HB ALA 42 1HB ALA 42 -13.601 -1.173 11.363 1192 2HB ALA 42 2HB ALA 42 -14.766 -1.727 12.589 1193 3HB ALA 42 3HB ALA 42 -14.810 -0.042 12.016 1194 H GLY 43 H GLY 43 -13.613 1.062 15.396 1195 1HA GLY 43 1HA GLY 43 -13.772 -1.011 17.377 1196 2HA GLY 43 2HA GLY 43 -14.004 0.711 17.603 1197 HA PRO 44 HA PRO 44 -18.079 -1.557 17.388 1198 1HB PRO 44 1HB PRO 44 -18.552 -2.235 19.993 1199 2HB PRO 44 2HB PRO 44 -17.932 -3.365 18.806 1200 1HG PRO 44 1HG PRO 44 -16.491 -2.007 21.001 1201 2HG PRO 44 2HG PRO 44 -16.018 -3.429 20.091 1202 1HD PRO 44 1HD PRO 44 -14.995 -0.768 19.772 1203 2HD PRO 44 2HD PRO 44 -14.609 -2.165 18.786 1204 H VAL 45 H VAL 45 -19.982 -0.455 17.443 1205 HA VAL 45 HA VAL 45 -19.952 2.188 17.930 1206 HB VAL 45 HB VAL 45 -21.736 0.886 16.834 1207 1HG1 VAL 45 1HG1 VAL 45 -21.855 -0.865 18.672 1208 2HG1 VAL 45 2HG1 VAL 45 -22.815 0.307 19.606 1209 3HG1 VAL 45 3HG1 VAL 45 -23.416 -0.290 18.040 1210 1HG2 VAL 45 1HG2 VAL 45 -23.059 2.509 18.997 1211 2HG2 VAL 45 2HG2 VAL 45 -21.961 3.291 17.833 1212 3HG2 VAL 45 3HG2 VAL 45 -23.412 2.438 17.253 1213 H GLU 46 H GLU 46 -19.914 3.563 19.658 1214 HA GLU 46 HA GLU 46 -20.589 2.436 22.238 1215 1HB GLU 46 1HB GLU 46 -17.888 3.259 21.361 1216 2HB GLU 46 2HB GLU 46 -18.393 4.040 22.847 1217 1HG GLU 46 1HG GLU 46 -19.133 1.219 22.919 1218 2HG GLU 46 2HG GLU 46 -17.432 1.373 22.529 1219 H ALA 47 H ALA 47 -21.531 3.942 23.672 1220 HA ALA 47 HA ALA 47 -22.810 6.122 22.626 1221 1HB ALA 47 1HB ALA 47 -23.641 6.318 24.738 1222 2HB ALA 47 2HB ALA 47 -22.797 4.773 25.000 1223 3HB ALA 47 3HB ALA 47 -22.026 6.302 25.486 1224 H ALA 48 H ALA 48 -22.456 8.476 23.687 1225 HA ALA 48 HA ALA 48 -21.114 10.236 24.073 1226 1HB ALA 48 1HB ALA 48 -18.911 9.980 24.676 1227 2HB ALA 48 2HB ALA 48 -19.423 8.282 24.830 1228 3HB ALA 48 3HB ALA 48 -18.572 8.826 23.364 1229 H GLU 49 H GLU 49 -22.470 10.415 21.935 1230 HA GLU 49 HA GLU 49 -20.755 10.397 19.620 1231 1HB GLU 49 1HB GLU 49 -23.726 10.813 20.063 1232 2HB GLU 49 2HB GLU 49 -22.991 11.227 18.527 1233 1HG GLU 49 1HG GLU 49 -22.129 8.914 18.280 1234 2HG GLU 49 2HG GLU 49 -22.766 8.485 19.856 1235 H GLU 50 H GLU 50 -20.642 12.358 18.182 1236 HA GLU 50 HA GLU 50 -20.257 14.660 19.867 1237 1HB GLU 50 1HB GLU 50 -19.160 13.650 17.325 1238 2HB GLU 50 2HB GLU 50 -19.515 15.364 17.259 1239 1HG GLU 50 1HG GLU 50 -18.028 14.207 19.640 1240 2HG GLU 50 2HG GLU 50 -17.168 14.570 18.157 1241 H LYS 51 H LYS 51 -20.854 16.892 18.805 1242 HA LYS 51 HA LYS 51 -23.393 16.651 17.369 1243 1HB LYS 51 1HB LYS 51 -23.889 16.922 19.769 1244 2HB LYS 51 2HB LYS 51 -22.924 18.383 19.814 1245 1HG LYS 51 1HG LYS 51 -24.448 19.600 18.471 1246 2HG LYS 51 2HG LYS 51 -25.149 18.153 17.774 1247 1HD LYS 51 1HD LYS 51 -26.211 17.584 19.943 1248 2HD LYS 51 2HD LYS 51 -25.450 18.967 20.703 1249 1HE LYS 51 1HE LYS 51 -27.722 19.612 20.156 1250 2HE LYS 51 2HE LYS 51 -26.663 20.474 19.057 1251 1HZ LYS 51 1HZ LYS 51 -28.719 18.918 18.326 1252 2HZ LYS 51 2HZ LYS 51 -27.502 19.383 17.340 1253 3HZ LYS 51 3HZ LYS 51 -27.448 17.924 18.072 1254 H THR 52 H THR 52 -21.712 17.045 15.608 1255 HA THR 52 HA THR 52 -21.372 19.953 15.340 1256 HB THR 52 HB THR 52 -19.138 19.380 14.235 1257 HG1 THR 52 1HG THR 52 -19.663 17.114 13.870 1258 1HG2 THR 52 1HG2 THR 52 -19.226 20.050 16.686 1259 2HG2 THR 52 2HG2 THR 52 -19.396 18.328 17.101 1260 3HG2 THR 52 3HG2 THR 52 -17.908 18.912 16.317 1261 H GLU 53 H GLU 53 -23.574 18.299 14.443 1262 HA GLU 53 HA GLU 53 -23.083 18.582 11.584 1263 1HB GLU 53 1HB GLU 53 -24.599 16.364 13.018 1264 2HB GLU 53 2HB GLU 53 -24.742 16.650 11.295 1265 1HG GLU 53 1HG GLU 53 -22.287 16.329 11.020 1266 2HG GLU 53 2HG GLU 53 -22.111 16.095 12.748 1267 H PHE 54 H PHE 54 -23.982 20.758 11.794 1268 HA PHE 54 HA PHE 54 -26.830 20.786 12.465 1269 1HB PHE 54 1HB PHE 54 -24.555 22.825 12.248 1270 2HB PHE 54 2HB PHE 54 -26.219 23.373 12.274 1271 HD1 PHE 54 1HD PHE 54 -23.746 21.404 14.225 1272 HD2 PHE 54 2HD PHE 54 -27.340 23.659 14.308 1273 HE1 PHE 54 1HE PHE 54 -23.729 21.340 16.734 1274 HE2 PHE 54 2HE PHE 54 -27.323 23.594 16.817 1275 HZ PHE 54 HZ PHE 54 -25.517 22.436 18.000 1276 H ASP 55 H ASP 55 -28.387 21.576 10.998 1277 HA ASP 55 HA ASP 55 -27.354 21.811 8.284 1278 1HB ASP 55 1HB ASP 55 -30.113 20.983 9.303 1279 2HB ASP 55 2HB ASP 55 -29.713 21.173 7.607 1280 H VAL 56 H VAL 56 -27.784 23.766 7.192 1281 HA VAL 56 HA VAL 56 -29.509 25.668 8.614 1282 HB VAL 56 HB VAL 56 -27.242 26.136 6.666 1283 1HG1 VAL 56 1HG1 VAL 56 -28.882 28.113 8.289 1284 2HG1 VAL 56 2HG1 VAL 56 -27.470 28.508 7.278 1285 3HG1 VAL 56 3HG1 VAL 56 -28.957 27.883 6.525 1286 1HG2 VAL 56 1HG2 VAL 56 -26.639 27.292 9.150 1287 2HG2 VAL 56 2HG2 VAL 56 -27.286 25.679 9.533 1288 3HG2 VAL 56 3HG2 VAL 56 -25.901 25.842 8.428 1289 H ILE 57 H ILE 57 -31.516 25.799 7.759 1290 HA ILE 57 HA ILE 57 -31.749 25.355 4.868 1291 HB ILE 57 HB ILE 57 -33.634 24.897 7.166 1292 1HG1 ILE 57 1HG1 ILE 57 -32.989 22.963 4.959 1293 2HG1 ILE 57 2HG1 ILE 57 -31.839 23.205 6.259 1294 1HG2 ILE 57 1HG2 ILE 57 -35.336 24.273 5.444 1295 2HG2 ILE 57 2HG2 ILE 57 -34.980 26.015 5.533 1296 3HG2 ILE 57 3HG2 ILE 57 -34.297 25.034 4.215 1297 1HD1 ILE 57 1HD1 ILE 57 -33.576 22.658 7.940 1298 2HD1 ILE 57 2HD1 ILE 57 -34.778 22.464 6.641 1299 3HD1 ILE 57 3HD1 ILE 57 -33.405 21.337 6.759 1300 H LEU 58 H LEU 58 -32.986 26.826 3.594 1301 HA LEU 58 HA LEU 58 -33.301 29.434 4.898 1302 1HB LEU 58 1HB LEU 58 -31.728 29.638 3.193 1303 2HB LEU 58 2HB LEU 58 -32.612 28.588 2.104 1304 HG LEU 58 HG LEU 58 -33.840 31.196 2.943 1305 1HD1 LEU 58 1HD1 LEU 58 -31.606 31.853 2.308 1306 2HD1 LEU 58 2HD1 LEU 58 -31.703 30.882 0.819 1307 3HD1 LEU 58 3HD1 LEU 58 -32.747 32.309 1.020 1308 1HD2 LEU 58 1HD2 LEU 58 -34.258 29.147 0.867 1309 2HD2 LEU 58 2HD2 LEU 58 -35.409 30.266 1.636 1310 3HD2 LEU 58 3HD2 LEU 58 -34.378 30.830 0.299 1311 H LYS 59 H LYS 59 -35.330 30.102 5.330 1312 HA LYS 59 HA LYS 59 -37.497 28.571 4.137 1313 1HB LYS 59 1HB LYS 59 -37.388 30.477 6.491 1314 2HB LYS 59 2HB LYS 59 -38.859 29.728 5.906 1315 1HG LYS 59 1HG LYS 59 -37.561 27.462 6.144 1316 2HG LYS 59 2HG LYS 59 -36.421 28.373 7.114 1317 1HD LYS 59 1HD LYS 59 -39.424 28.267 7.664 1318 2HD LYS 59 2HD LYS 59 -38.249 27.238 8.457 1319 1HE LYS 59 1HE LYS 59 -37.046 29.559 9.017 1320 2HE LYS 59 2HE LYS 59 -38.641 30.225 8.730 1321 1HZ LYS 59 1HZ LYS 59 -37.875 28.224 10.724 1322 2HZ LYS 59 2HZ LYS 59 -38.565 29.684 10.971 1323 3HZ LYS 59 3HZ LYS 59 -39.437 28.469 10.314 1324 H ALA 60 H ALA 60 -36.698 32.054 4.823 1325 HA ALA 60 HA ALA 60 -37.967 32.697 2.264 1326 1HB ALA 60 1HB ALA 60 -38.448 34.291 4.803 1327 2HB ALA 60 2HB ALA 60 -39.292 34.423 3.241 1328 3HB ALA 60 3HB ALA 60 -39.539 32.990 4.268 1329 H ALA 61 H ALA 61 -36.710 34.035 1.045 1330 HA ALA 61 HA ALA 61 -34.182 34.830 2.024 1331 1HB ALA 61 1HB ALA 61 -33.929 35.817 -0.191 1332 2HB ALA 61 2HB ALA 61 -34.722 34.231 -0.343 1333 3HB ALA 61 3HB ALA 61 -35.685 35.723 -0.469 1334 H GLY 62 H GLY 62 -37.401 36.249 2.031 1335 1HA GLY 62 1HA GLY 62 -38.119 38.089 3.151 1336 2HA GLY 62 2HA GLY 62 -36.471 38.463 3.613 1337 H ALA 63 H ALA 63 -36.881 40.733 3.105 1338 HA ALA 63 HA ALA 63 -37.401 41.320 0.303 1339 1HB ALA 63 1HB ALA 63 -37.165 43.080 2.778 1340 2HB ALA 63 2HB ALA 63 -37.595 43.653 1.148 1341 3HB ALA 63 3HB ALA 63 -38.675 42.531 2.011 1342 H ASN 64 H ASN 64 -34.953 39.948 0.807 1343 HA ASN 64 HA ASN 64 -33.179 41.962 -0.192 1344 1HB ASN 64 1HB ASN 64 -33.000 41.701 2.463 1345 2HB ASN 64 2HB ASN 64 -32.127 40.232 2.073 1346 1HD2 ASN 64 1HD2 ASN 64 -31.239 42.721 3.327 1347 2HD2 ASN 64 2HD2 ASN 64 -29.911 43.322 2.392 1348 H LYS 65 H LYS 65 -34.169 40.058 -1.782 1349 HA LYS 65 HA LYS 65 -33.070 37.494 -1.581 1350 1HB LYS 65 1HB LYS 65 -34.998 38.663 -3.092 1351 2HB LYS 65 2HB LYS 65 -33.711 38.558 -4.276 1352 1HG LYS 65 1HG LYS 65 -33.425 36.100 -3.615 1353 2HG LYS 65 2HG LYS 65 -34.869 36.259 -2.635 1354 1HD LYS 65 1HD LYS 65 -34.789 36.899 -5.619 1355 2HD LYS 65 2HD LYS 65 -35.257 35.335 -4.982 1356 1HE LYS 65 1HE LYS 65 -37.374 36.171 -4.878 1357 2HE LYS 65 2HE LYS 65 -36.834 37.069 -3.473 1358 1HZ LYS 65 1HZ LYS 65 -37.696 38.631 -4.933 1359 2HZ LYS 65 2HZ LYS 65 -36.081 38.790 -5.120 1360 3HZ LYS 65 3HZ LYS 65 -36.959 37.997 -6.246 1361 H VAL 66 H VAL 66 -31.766 40.584 -2.647 1362 HA VAL 66 HA VAL 66 -29.786 39.585 -4.368 1363 HB VAL 66 HB VAL 66 -30.085 42.124 -2.765 1364 1HG1 VAL 66 1HG1 VAL 66 -27.804 42.195 -3.018 1365 2HG1 VAL 66 2HG1 VAL 66 -27.819 41.182 -4.481 1366 3HG1 VAL 66 3HG1 VAL 66 -28.302 42.892 -4.578 1367 1HG2 VAL 66 1HG2 VAL 66 -30.670 43.127 -4.899 1368 2HG2 VAL 66 2HG2 VAL 66 -30.354 41.592 -5.743 1369 3HG2 VAL 66 3HG2 VAL 66 -31.711 41.715 -4.597 1370 H ALA 67 H ALA 67 -29.528 40.781 -0.939 1371 HA ALA 67 HA ALA 67 -26.900 39.991 -0.586 1372 1HB ALA 67 1HB ALA 67 -28.141 41.545 0.879 1373 2HB ALA 67 2HB ALA 67 -29.158 40.199 1.448 1374 3HB ALA 67 3HB ALA 67 -27.417 40.216 1.817 1375 H VAL 68 H VAL 68 -29.994 38.201 -0.162 1376 HA VAL 68 HA VAL 68 -28.961 35.985 1.140 1377 HB VAL 68 HB VAL 68 -31.294 36.396 -0.725 1378 1HG1 VAL 68 1HG1 VAL 68 -30.709 34.060 -0.928 1379 2HG1 VAL 68 2HG1 VAL 68 -30.562 33.899 0.839 1380 3HG1 VAL 68 3HG1 VAL 68 -32.153 34.203 0.102 1381 1HG2 VAL 68 1HG2 VAL 68 -32.466 36.986 1.099 1382 2HG2 VAL 68 2HG2 VAL 68 -31.773 35.674 2.082 1383 3HG2 VAL 68 3HG2 VAL 68 -30.882 37.202 1.881 1384 H ILE 69 H ILE 69 -29.552 36.478 -2.416 1385 HA ILE 69 HA ILE 69 -28.604 34.071 -3.276 1386 HB ILE 69 HB ILE 69 -28.685 36.814 -4.478 1387 1HG1 ILE 69 1HG1 ILE 69 -30.081 34.299 -5.394 1388 2HG1 ILE 69 2HG1 ILE 69 -30.717 35.269 -4.081 1389 1HG2 ILE 69 1HG2 ILE 69 -28.067 35.750 -6.668 1390 2HG2 ILE 69 2HG2 ILE 69 -26.729 35.922 -5.506 1391 3HG2 ILE 69 3HG2 ILE 69 -27.500 34.336 -5.748 1392 1HD1 ILE 69 1HD1 ILE 69 -31.778 36.077 -6.080 1393 2HD1 ILE 69 2HD1 ILE 69 -30.558 37.299 -5.650 1394 3HD1 ILE 69 3HD1 ILE 69 -30.231 36.138 -6.959 1395 H LYS 70 H LYS 70 -26.780 36.989 -2.274 1396 HA LYS 70 HA LYS 70 -24.287 36.091 -3.208 1397 1HB LYS 70 1HB LYS 70 -25.164 38.143 -1.176 1398 2HB LYS 70 2HB LYS 70 -23.468 37.803 -1.456 1399 1HG LYS 70 1HG LYS 70 -23.899 38.207 -3.952 1400 2HG LYS 70 2HG LYS 70 -25.503 38.761 -3.519 1401 1HD LYS 70 1HD LYS 70 -23.801 40.165 -1.759 1402 2HD LYS 70 2HD LYS 70 -22.924 40.155 -3.276 1403 1HE LYS 70 1HE LYS 70 -25.023 40.992 -4.435 1404 2HE LYS 70 2HE LYS 70 -25.797 41.112 -2.868 1405 1HZ LYS 70 1HZ LYS 70 -23.302 42.493 -3.574 1406 2HZ LYS 70 2HZ LYS 70 -24.781 43.183 -3.614 1407 3HZ LYS 70 3HZ LYS 70 -24.155 42.678 -2.193 1408 H ALA 71 H ALA 71 -25.883 35.931 0.046 1409 HA ALA 71 HA ALA 71 -23.818 34.636 1.351 1410 1HB ALA 71 1HB ALA 71 -26.816 34.330 1.789 1411 2HB ALA 71 2HB ALA 71 -25.530 34.041 2.985 1412 3HB ALA 71 3HB ALA 71 -25.834 35.689 2.386 1413 H VAL 72 H VAL 72 -26.496 33.363 -0.693 1414 HA VAL 72 HA VAL 72 -26.113 30.671 -0.101 1415 HB VAL 72 HB VAL 72 -27.155 32.067 -2.571 1416 1HG1 VAL 72 1HG1 VAL 72 -28.291 29.908 -3.068 1417 2HG1 VAL 72 2HG1 VAL 72 -26.517 29.811 -3.182 1418 3HG1 VAL 72 3HG1 VAL 72 -27.355 29.148 -1.759 1419 1HG2 VAL 72 1HG2 VAL 72 -29.124 32.303 -1.515 1420 2HG2 VAL 72 2HG2 VAL 72 -29.041 30.676 -0.798 1421 3HG2 VAL 72 3HG2 VAL 72 -28.198 32.036 -0.019 1422 H ARG 73 H ARG 73 -25.245 32.168 -3.286 1423 HA ARG 73 HA ARG 73 -23.615 30.179 -4.063 1424 1HB ARG 73 1HB ARG 73 -22.572 31.861 -5.608 1425 2HB ARG 73 2HB ARG 73 -24.318 32.004 -5.560 1426 1HG ARG 73 1HG ARG 73 -23.936 34.218 -5.155 1427 2HG ARG 73 2HG ARG 73 -23.608 33.711 -3.510 1428 1HD ARG 73 1HD ARG 73 -21.245 33.735 -3.835 1429 2HD ARG 73 2HD ARG 73 -21.387 33.658 -5.580 1430 HE ARG 73 HE ARG 73 -21.574 36.062 -3.915 1431 1HH1 ARG 73 2HH2 ARG 73 -22.427 34.639 -7.018 1432 2HH1 ARG 73 1HH2 ARG 73 -22.564 36.165 -7.825 1433 1HH2 ARG 73 2HH1 ARG 73 -21.751 38.076 -4.980 1434 2HH2 ARG 73 1HH1 ARG 73 -22.182 38.134 -6.657 1435 H GLY 74 H GLY 74 -22.990 32.756 -1.721 1436 1HA GLY 74 1HA GLY 74 -20.145 32.689 -1.828 1437 2HA GLY 74 2HA GLY 74 -21.152 33.399 -0.582 1438 H ALA 75 H ALA 75 -22.688 30.912 -0.017 1439 HA ALA 75 HA ALA 75 -20.721 29.773 1.769 1440 1HB ALA 75 1HB ALA 75 -23.725 29.390 1.454 1441 2HB ALA 75 2HB ALA 75 -22.734 28.661 2.741 1442 3HB ALA 75 3HB ALA 75 -22.904 30.430 2.643 1443 H THR 76 H THR 76 -22.225 29.107 -1.316 1444 HA THR 76 HA THR 76 -21.267 26.324 -1.149 1445 HB THR 76 HB THR 76 -23.107 25.824 -2.761 1446 HG1 THR 76 1HG THR 76 -23.995 28.536 -2.218 1447 1HG2 THR 76 1HG2 THR 76 -23.779 25.742 -0.367 1448 2HG2 THR 76 2HG2 THR 76 -24.048 27.502 -0.374 1449 3HG2 THR 76 3HG2 THR 76 -25.094 26.437 -1.345 1450 H GLY 77 H GLY 77 -22.192 28.570 -3.832 1451 1HA GLY 77 1HA GLY 77 -20.319 29.570 -5.086 1452 2HA GLY 77 2HA GLY 77 -19.529 28.008 -4.998 1453 H LEU 78 H LEU 78 -23.015 27.907 -5.291 1454 HA LEU 78 HA LEU 78 -22.823 26.611 -7.806 1455 1HB LEU 78 1HB LEU 78 -25.162 27.551 -6.147 1456 2HB LEU 78 2HB LEU 78 -25.330 26.665 -7.649 1457 HG LEU 78 HG LEU 78 -23.722 25.556 -5.348 1458 1HD1 LEU 78 1HD1 LEU 78 -25.699 24.349 -4.585 1459 2HD1 LEU 78 2HD1 LEU 78 -25.945 26.108 -4.475 1460 3HD1 LEU 78 3HD1 LEU 78 -26.697 25.186 -5.798 1461 1HD2 LEU 78 1HD2 LEU 78 -25.109 24.289 -7.725 1462 2HD2 LEU 78 2HD2 LEU 78 -23.357 24.464 -7.467 1463 3HD2 LEU 78 3HD2 LEU 78 -24.310 23.394 -6.410 1464 H GLY 79 H GLY 79 -23.836 27.306 -9.829 1465 1HA GLY 79 1HA GLY 79 -23.031 29.802 -10.690 1466 2HA GLY 79 2HA GLY 79 -24.232 28.791 -11.469 1467 H LEU 80 H LEU 80 -24.065 31.805 -11.029 1468 HA LEU 80 HA LEU 80 -25.697 32.806 -9.147 1469 1HB LEU 80 1HB LEU 80 -24.457 33.873 -11.169 1470 2HB LEU 80 2HB LEU 80 -25.989 33.688 -12.000 1471 HG LEU 80 HG LEU 80 -27.076 35.015 -10.160 1472 1HD1 LEU 80 1HD1 LEU 80 -25.846 35.064 -8.267 1473 2HD1 LEU 80 2HD1 LEU 80 -24.294 34.966 -9.135 1474 3HD1 LEU 80 3HD1 LEU 80 -25.154 36.521 -9.021 1475 1HD2 LEU 80 1HD2 LEU 80 -26.318 37.177 -10.993 1476 2HD2 LEU 80 2HD2 LEU 80 -24.869 36.417 -11.695 1477 3HD2 LEU 80 3HD2 LEU 80 -26.483 36.006 -12.324 1478 H LYS 81 H LYS 81 -26.742 31.228 -12.233 1479 HA LYS 81 HA LYS 81 -29.465 31.627 -11.858 1480 1HB LYS 81 1HB LYS 81 -28.378 30.965 -13.982 1481 2HB LYS 81 2HB LYS 81 -28.050 29.377 -13.318 1482 1HG LYS 81 1HG LYS 81 -30.540 29.081 -12.927 1483 2HG LYS 81 2HG LYS 81 -30.812 30.616 -13.729 1484 1HD LYS 81 1HD LYS 81 -31.087 29.140 -15.521 1485 2HD LYS 81 2HD LYS 81 -29.391 29.545 -15.694 1486 1HE LYS 81 1HE LYS 81 -28.735 27.488 -14.481 1487 2HE LYS 81 2HE LYS 81 -30.416 27.102 -14.172 1488 1HZ LYS 81 1HZ LYS 81 -29.154 27.277 -16.819 1489 2HZ LYS 81 2HZ LYS 81 -29.630 25.910 -16.062 1490 3HZ LYS 81 3HZ LYS 81 -30.742 26.992 -16.570 1491 H GLU 82 H GLU 82 -27.565 28.582 -11.254 1492 HA GLU 82 HA GLU 82 -29.468 27.112 -10.138 1493 1HB GLU 82 1HB GLU 82 -26.529 27.385 -9.449 1494 2HB GLU 82 2HB GLU 82 -27.529 26.226 -8.595 1495 1HG GLU 82 1HG GLU 82 -27.672 26.267 -11.610 1496 2HG GLU 82 2HG GLU 82 -26.245 25.573 -10.864 1497 H ALA 83 H ALA 83 -27.513 29.638 -8.434 1498 HA ALA 83 HA ALA 83 -28.582 29.171 -5.897 1499 1HB ALA 83 1HB ALA 83 -26.500 30.437 -6.405 1500 2HB ALA 83 2HB ALA 83 -27.487 31.746 -7.098 1501 3HB ALA 83 3HB ALA 83 -27.614 31.357 -5.366 1502 H LYS 84 H LYS 84 -29.559 31.390 -8.580 1503 HA LYS 84 HA LYS 84 -31.553 32.726 -7.205 1504 1HB LYS 84 1HB LYS 84 -30.694 33.509 -9.321 1505 2HB LYS 84 2HB LYS 84 -31.252 32.068 -10.147 1506 1HG LYS 84 1HG LYS 84 -33.583 32.654 -9.787 1507 2HG LYS 84 2HG LYS 84 -33.157 33.931 -8.665 1508 1HD LYS 84 1HD LYS 84 -32.212 35.299 -10.417 1509 2HD LYS 84 2HD LYS 84 -32.203 33.969 -11.557 1510 1HE LYS 84 1HE LYS 84 -34.089 35.364 -12.137 1511 2HE LYS 84 2HE LYS 84 -34.747 33.913 -11.409 1512 1HZ LYS 84 1HZ LYS 84 -34.230 36.366 -9.884 1513 2HZ LYS 84 2HZ LYS 84 -35.674 36.022 -10.565 1514 3HZ LYS 84 3HZ LYS 84 -35.073 35.057 -9.392 1515 H ASP 85 H ASP 85 -31.803 29.777 -9.312 1516 HA ASP 85 HA ASP 85 -34.480 29.417 -9.023 1517 1HB ASP 85 1HB ASP 85 -32.296 27.284 -9.177 1518 2HB ASP 85 2HB ASP 85 -33.993 26.990 -9.499 1519 H LEU 86 H LEU 86 -31.717 28.162 -7.024 1520 HA LEU 86 HA LEU 86 -33.062 26.515 -5.324 1521 1HB LEU 86 1HB LEU 86 -30.636 26.775 -5.446 1522 2HB LEU 86 2HB LEU 86 -30.751 28.362 -4.713 1523 HG LEU 86 HG LEU 86 -31.916 26.074 -3.193 1524 1HD1 LEU 86 1HD1 LEU 86 -29.536 25.747 -2.212 1525 2HD1 LEU 86 2HD1 LEU 86 -29.976 24.925 -3.728 1526 3HD1 LEU 86 3HD1 LEU 86 -28.985 26.403 -3.772 1527 1HD2 LEU 86 1HD2 LEU 86 -30.904 27.351 -1.291 1528 2HD2 LEU 86 2HD2 LEU 86 -30.392 28.586 -2.466 1529 3HD2 LEU 86 3HD2 LEU 86 -32.124 28.248 -2.227 1530 H VAL 87 H VAL 87 -32.407 30.052 -4.784 1531 HA VAL 87 HA VAL 87 -33.877 30.187 -2.426 1532 HB VAL 87 HB VAL 87 -33.093 32.245 -4.491 1533 1HG1 VAL 87 1HG1 VAL 87 -34.524 32.590 -1.852 1534 2HG1 VAL 87 2HG1 VAL 87 -33.514 33.881 -2.547 1535 3HG1 VAL 87 3HG1 VAL 87 -34.928 33.276 -3.443 1536 1HG2 VAL 87 1HG2 VAL 87 -31.224 31.178 -3.341 1537 2HG2 VAL 87 2HG2 VAL 87 -31.396 32.866 -2.806 1538 3HG2 VAL 87 3HG2 VAL 87 -31.961 31.540 -1.762 1539 H GLU 88 H GLU 88 -34.810 30.523 -5.875 1540 HA GLU 88 HA GLU 88 -37.349 31.563 -5.286 1541 1HB GLU 88 1HB GLU 88 -36.079 30.335 -7.752 1542 2HB GLU 88 2HB GLU 88 -37.772 30.785 -7.750 1543 1HG GLU 88 1HG GLU 88 -37.114 33.119 -7.035 1544 2HG GLU 88 2HG GLU 88 -35.429 32.651 -7.147 1545 H SER 89 H SER 89 -35.975 28.431 -4.963 1546 HA SER 89 HA SER 89 -38.581 27.182 -5.280 1547 1HB SER 89 1HB SER 89 -37.404 25.068 -5.452 1548 2HB SER 89 2HB SER 89 -36.629 26.211 -6.531 1549 HG SER 89 HG SER 89 -35.583 24.872 -4.348 1550 H ALA 90 H ALA 90 -37.567 28.926 -2.972 1551 HA ALA 90 HA ALA 90 -36.891 27.430 -0.765 1552 1HB ALA 90 1HB ALA 90 -38.021 29.336 0.488 1553 2HB ALA 90 2HB ALA 90 -36.805 29.828 -0.716 1554 3HB ALA 90 3HB ALA 90 -38.539 29.962 -1.096 1555 HA PRO 91 HA PRO 91 -37.315 27.372 1.218 1556 1HB PRO 91 1HB PRO 91 -37.333 25.245 2.933 1557 2HB PRO 91 2HB PRO 91 -38.186 26.742 3.254 1558 1HG PRO 91 1HG PRO 91 -39.280 24.130 2.404 1559 2HG PRO 91 2HG PRO 91 -40.118 25.488 3.128 1560 1HD PRO 91 1HD PRO 91 -40.157 24.725 0.364 1561 2HD PRO 91 2HD PRO 91 -40.899 26.147 1.069 1562 H ALA 92 H ALA 92 -35.121 26.639 1.461 1563 HA ALA 92 HA ALA 92 -34.578 24.215 -0.054 1564 1HB ALA 92 1HB ALA 92 -32.721 25.726 -1.212 1565 2HB ALA 92 2HB ALA 92 -34.367 25.623 -1.881 1566 3HB ALA 92 3HB ALA 92 -33.896 27.022 -0.886 1567 H ALA 93 H ALA 93 -32.845 23.097 0.791 1568 HA ALA 93 HA ALA 93 -31.754 24.036 3.239 1569 1HB ALA 93 1HB ALA 93 -30.546 21.911 3.199 1570 2HB ALA 93 2HB ALA 93 -32.235 21.648 2.700 1571 3HB ALA 93 3HB ALA 93 -30.942 21.689 1.477 1572 H LEU 94 H LEU 94 -29.945 25.236 3.596 1573 HA LEU 94 HA LEU 94 -28.458 26.086 1.271 1574 1HB LEU 94 1HB LEU 94 -28.893 27.011 4.038 1575 2HB LEU 94 2HB LEU 94 -27.285 27.299 3.404 1576 HG LEU 94 HG LEU 94 -29.808 28.155 1.967 1577 1HD1 LEU 94 1HD1 LEU 94 -29.455 30.392 2.849 1578 2HD1 LEU 94 2HD1 LEU 94 -29.692 29.231 4.177 1579 3HD1 LEU 94 3HD1 LEU 94 -28.058 29.824 3.795 1580 1HD2 LEU 94 1HD2 LEU 94 -28.119 28.118 0.378 1581 2HD2 LEU 94 2HD2 LEU 94 -28.074 29.799 0.960 1582 3HD2 LEU 94 3HD2 LEU 94 -26.868 28.625 1.539 1583 H LYS 95 H LYS 95 -27.810 24.444 4.441 1584 HA LYS 95 HA LYS 95 -25.660 23.003 3.119 1585 1HB LYS 95 1HB LYS 95 -25.079 24.316 5.765 1586 2HB LYS 95 2HB LYS 95 -23.963 23.626 4.604 1587 1HG LYS 95 1HG LYS 95 -24.624 25.454 2.967 1588 2HG LYS 95 2HG LYS 95 -25.605 26.174 4.227 1589 1HD LYS 95 1HD LYS 95 -23.618 27.366 4.513 1590 2HD LYS 95 2HD LYS 95 -23.369 26.062 5.657 1591 1HE LYS 95 1HE LYS 95 -22.126 24.779 3.859 1592 2HE LYS 95 2HE LYS 95 -22.299 26.162 2.796 1593 1HZ LYS 95 1HZ LYS 95 -20.222 26.292 3.881 1594 2HZ LYS 95 2HZ LYS 95 -21.154 27.472 4.518 1595 3HZ LYS 95 3HZ LYS 95 -20.878 26.103 5.365 1596 H GLU 96 H GLU 96 -24.988 21.074 4.376 1597 HA GLU 96 HA GLU 96 -26.917 20.373 6.426 1598 1HB GLU 96 1HB GLU 96 -26.250 18.642 4.005 1599 2HB GLU 96 2HB GLU 96 -27.177 18.095 5.388 1600 1HG GLU 96 1HG GLU 96 -28.816 19.998 4.956 1601 2HG GLU 96 2HG GLU 96 -27.932 20.364 3.488 1602 H GLY 97 H GLY 97 -25.890 19.556 8.206 1603 1HA GLY 97 1HA GLY 97 -24.347 18.533 9.483 1604 2HA GLY 97 2HA GLY 97 -23.783 17.684 8.058 1605 H VAL 98 H VAL 98 -23.861 21.200 8.999 1606 HA VAL 98 HA VAL 98 -20.981 21.254 8.415 1607 HB VAL 98 HB VAL 98 -21.376 23.688 8.003 1608 1HG1 VAL 98 1HG1 VAL 98 -22.122 23.389 5.753 1609 2HG1 VAL 98 2HG1 VAL 98 -21.244 21.909 6.210 1610 3HG1 VAL 98 3HG1 VAL 98 -23.024 21.914 6.177 1611 1HG2 VAL 98 1HG2 VAL 98 -24.315 22.990 7.833 1612 2HG2 VAL 98 2HG2 VAL 98 -23.584 23.689 9.297 1613 3HG2 VAL 98 3HG2 VAL 98 -23.546 24.593 7.764 1614 H SER 99 H SER 99 -19.717 22.838 9.761 1615 HA SER 99 HA SER 99 -20.098 22.278 12.424 1616 1HB SER 99 1HB SER 99 -18.334 23.992 12.820 1617 2HB SER 99 2HB SER 99 -17.917 22.904 11.510 1618 HG SER 99 HG SER 99 -18.295 24.494 9.995 1619 H LYS 100 H LYS 100 -20.879 23.543 14.215 1620 HA LYS 100 HA LYS 100 -23.167 25.015 13.712 1621 1HB LYS 100 1HB LYS 100 -22.630 23.824 15.819 1622 2HB LYS 100 2HB LYS 100 -21.415 25.032 16.188 1623 1HG LYS 100 1HG LYS 100 -24.100 26.138 15.501 1624 2HG LYS 100 2HG LYS 100 -24.056 25.186 16.972 1625 1HD LYS 100 1HD LYS 100 -22.078 26.582 17.747 1626 2HD LYS 100 2HD LYS 100 -22.280 27.586 16.326 1627 1HE LYS 100 1HE LYS 100 -24.653 28.077 17.057 1628 2HE LYS 100 2HE LYS 100 -24.368 27.148 18.515 1629 1HZ LYS 100 1HZ LYS 100 -23.900 29.315 19.093 1630 2HZ LYS 100 2HZ LYS 100 -22.411 28.699 18.830 1631 3HZ LYS 100 3HZ LYS 100 -23.108 29.657 17.706 1632 H ASP 101 H ASP 101 -19.777 26.079 14.358 1633 HA ASP 101 HA ASP 101 -20.249 28.724 14.665 1634 1HB ASP 101 1HB ASP 101 -17.941 27.333 13.228 1635 2HB ASP 101 2HB ASP 101 -17.909 29.023 13.689 1636 H ASP 102 H ASP 102 -19.782 26.780 11.642 1637 HA ASP 102 HA ASP 102 -19.742 28.966 9.925 1638 1HB ASP 102 1HB ASP 102 -20.346 26.008 9.587 1639 2HB ASP 102 2HB ASP 102 -20.493 27.097 8.223 1640 H ALA 103 H ALA 103 -22.319 26.717 11.109 1641 HA ALA 103 HA ALA 103 -24.359 27.523 9.414 1642 1HB ALA 103 1HB ALA 103 -24.391 26.458 12.265 1643 2HB ALA 103 2HB ALA 103 -25.830 26.586 11.225 1644 3HB ALA 103 3HB ALA 103 -24.490 25.509 10.763 1645 H GLU 104 H GLU 104 -23.350 28.764 12.665 1646 HA GLU 104 HA GLU 104 -25.474 30.600 12.758 1647 1HB GLU 104 1HB GLU 104 -24.069 29.583 14.699 1648 2HB GLU 104 2HB GLU 104 -22.886 30.824 14.335 1649 1HG GLU 104 1HG GLU 104 -24.820 32.532 14.534 1650 2HG GLU 104 2HG GLU 104 -25.781 31.227 15.201 1651 H ALA 105 H ALA 105 -22.279 30.583 11.294 1652 HA ALA 105 HA ALA 105 -21.818 33.360 11.311 1653 1HB ALA 105 1HB ALA 105 -20.145 32.781 9.557 1654 2HB ALA 105 2HB ALA 105 -20.045 31.707 10.973 1655 3HB ALA 105 3HB ALA 105 -20.827 31.139 9.478 1656 H LEU 106 H LEU 106 -23.215 31.101 8.837 1657 HA LEU 106 HA LEU 106 -23.819 33.198 7.037 1658 1HB LEU 106 1HB LEU 106 -23.454 30.719 6.572 1659 2HB LEU 106 2HB LEU 106 -25.094 30.471 7.138 1660 HG LEU 106 HG LEU 106 -25.884 32.071 5.367 1661 1HD1 LEU 106 1HD1 LEU 106 -24.052 33.404 4.826 1662 2HD1 LEU 106 2HD1 LEU 106 -22.959 32.010 4.650 1663 3HD1 LEU 106 3HD1 LEU 106 -24.210 32.322 3.422 1664 1HD2 LEU 106 1HD2 LEU 106 -26.100 29.686 5.047 1665 2HD2 LEU 106 2HD2 LEU 106 -25.635 30.454 3.509 1666 3HD2 LEU 106 3HD2 LEU 106 -24.420 29.575 4.467 1667 H LYS 107 H LYS 107 -25.600 31.485 9.647 1668 HA LYS 107 HA LYS 107 -28.129 32.408 9.109 1669 1HB LYS 107 1HB LYS 107 -27.347 30.704 10.836 1670 2HB LYS 107 2HB LYS 107 -26.976 32.058 11.885 1671 1HG LYS 107 1HG LYS 107 -29.530 32.722 11.068 1672 2HG LYS 107 2HG LYS 107 -29.627 30.973 11.055 1673 1HD LYS 107 1HD LYS 107 -30.197 31.422 13.278 1674 2HD LYS 107 2HD LYS 107 -28.473 31.149 13.434 1675 1HE LYS 107 1HE LYS 107 -28.559 33.863 12.832 1676 2HE LYS 107 2HE LYS 107 -30.024 33.662 13.772 1677 1HZ LYS 107 1HZ LYS 107 -27.351 32.780 14.619 1678 2HZ LYS 107 2HZ LYS 107 -28.120 34.118 15.155 1679 3HZ LYS 107 3HZ LYS 107 -28.720 32.639 15.499 1680 H LYS 108 H LYS 108 -25.563 33.955 11.159 1681 HA LYS 108 HA LYS 108 -27.095 36.182 11.823 1682 1HB LYS 108 1HB LYS 108 -25.050 37.124 12.630 1683 2HB LYS 108 2HB LYS 108 -25.031 35.408 12.981 1684 1HG LYS 108 1HG LYS 108 -23.402 34.943 11.351 1685 2HG LYS 108 2HG LYS 108 -23.825 36.334 10.373 1686 1HD LYS 108 1HD LYS 108 -22.860 37.849 12.127 1687 2HD LYS 108 2HD LYS 108 -22.420 36.449 13.085 1688 1HE LYS 108 1HE LYS 108 -20.418 36.917 11.926 1689 2HE LYS 108 2HE LYS 108 -21.125 35.645 10.951 1690 1HZ LYS 108 1HZ LYS 108 -21.276 38.529 10.419 1691 2HZ LYS 108 2HZ LYS 108 -20.456 37.414 9.553 1692 3HZ LYS 108 3HZ LYS 108 -22.089 37.403 9.558 1693 H ALA 109 H ALA 109 -25.176 35.357 8.940 1694 HA ALA 109 HA ALA 109 -25.008 37.962 7.903 1695 1HB ALA 109 1HB ALA 109 -24.201 36.893 5.953 1696 2HB ALA 109 2HB ALA 109 -23.725 35.804 7.278 1697 3HB ALA 109 3HB ALA 109 -25.138 35.413 6.269 1698 H LEU 110 H LEU 110 -27.423 35.299 7.564 1699 HA LEU 110 HA LEU 110 -28.997 36.593 5.648 1700 1HB LEU 110 1HB LEU 110 -29.373 34.354 7.590 1701 2HB LEU 110 2HB LEU 110 -30.780 35.016 6.782 1702 HG LEU 110 HG LEU 110 -29.504 32.958 5.788 1703 1HD1 LEU 110 1HD1 LEU 110 -31.444 33.950 4.747 1704 2HD1 LEU 110 2HD1 LEU 110 -30.460 35.285 4.100 1705 3HD1 LEU 110 3HD1 LEU 110 -30.206 33.626 3.510 1706 1HD2 LEU 110 1HD2 LEU 110 -27.791 33.509 4.157 1707 2HD2 LEU 110 2HD2 LEU 110 -27.876 35.228 4.614 1708 3HD2 LEU 110 3HD2 LEU 110 -27.287 34.024 5.785 1709 H GLU 111 H GLU 111 -29.016 36.619 9.254 1710 HA GLU 111 HA GLU 111 -31.369 38.053 9.495 1711 1HB GLU 111 1HB GLU 111 -28.939 37.790 11.308 1712 2HB GLU 111 2HB GLU 111 -30.374 38.671 11.792 1713 1HG GLU 111 1HG GLU 111 -31.723 36.548 11.232 1714 2HG GLU 111 2HG GLU 111 -30.191 35.715 11.061 1715 H GLU 112 H GLU 112 -27.925 39.102 9.212 1716 HA GLU 112 HA GLU 112 -28.311 41.765 9.698 1717 1HB GLU 112 1HB GLU 112 -26.321 40.241 7.992 1718 2HB GLU 112 2HB GLU 112 -26.254 41.989 8.083 1719 1HG GLU 112 1HG GLU 112 -26.396 40.357 10.636 1720 2HG GLU 112 2HG GLU 112 -24.865 40.530 9.801 1721 H ALA 113 H ALA 113 -28.943 39.823 6.769 1722 HA ALA 113 HA ALA 113 -29.403 42.169 5.158 1723 1HB ALA 113 1HB ALA 113 -28.466 40.381 3.958 1724 2HB ALA 113 2HB ALA 113 -29.499 39.173 4.760 1725 3HB ALA 113 3HB ALA 113 -30.194 40.272 3.544 1726 H GLY 114 H GLY 114 -31.214 39.847 7.147 1727 1HA GLY 114 1HA GLY 114 -33.299 40.406 8.058 1728 2HA GLY 114 2HA GLY 114 -33.631 41.453 6.692 1729 H ALA 115 H ALA 115 -32.706 37.962 7.182 1730 HA ALA 115 HA ALA 115 -34.982 37.272 5.460 1731 1HB ALA 115 1HB ALA 115 -32.872 37.163 4.167 1732 2HB ALA 115 2HB ALA 115 -32.187 36.062 5.386 1733 3HB ALA 115 3HB ALA 115 -33.579 35.547 4.404 1734 H GLU 116 H GLU 116 -35.706 34.968 5.801 1735 HA GLU 116 HA GLU 116 -35.459 34.398 8.631 1736 1HB GLU 116 1HB GLU 116 -37.730 34.696 7.514 1737 2HB GLU 116 2HB GLU 116 -37.426 33.218 6.623 1738 1HG GLU 116 1HG GLU 116 -38.692 32.540 8.537 1739 2HG GLU 116 2HG GLU 116 -37.044 32.062 8.890 1740 H VAL 117 H VAL 117 -34.152 32.762 9.321 1741 HA VAL 117 HA VAL 117 -33.432 30.731 7.322 1742 HB VAL 117 HB VAL 117 -31.823 31.732 9.679 1743 1HG1 VAL 117 1HG1 VAL 117 -31.154 29.508 9.220 1744 2HG1 VAL 117 2HG1 VAL 117 -31.247 29.755 7.460 1745 3HG1 VAL 117 3HG1 VAL 117 -29.957 30.541 8.401 1746 1HG2 VAL 117 1HG2 VAL 117 -31.784 33.555 8.233 1747 2HG2 VAL 117 2HG2 VAL 117 -30.351 32.629 7.722 1748 3HG2 VAL 117 3HG2 VAL 117 -31.856 32.535 6.776 1749 H GLU 118 H GLU 118 -32.844 28.559 8.337 1750 HA GLU 118 HA GLU 118 -34.369 28.149 10.779 1751 1HB GLU 118 1HB GLU 118 -35.875 27.371 9.091 1752 2HB GLU 118 2HB GLU 118 -34.592 26.607 8.173 1753 1HG GLU 118 1HG GLU 118 -34.302 24.872 9.846 1754 2HG GLU 118 2HG GLU 118 -35.309 25.722 11.001 1755 H VAL 119 H VAL 119 -33.284 26.941 12.308 1756 HA VAL 119 HA VAL 119 -30.861 25.569 11.365 1757 HB VAL 119 HB VAL 119 -31.390 26.912 14.023 1758 1HG1 VAL 119 1HG1 VAL 119 -29.899 25.001 14.263 1759 2HG1 VAL 119 2HG1 VAL 119 -28.889 25.588 12.919 1760 3HG1 VAL 119 3HG1 VAL 119 -28.981 26.516 14.436 1761 1HG2 VAL 119 1HG2 VAL 119 -29.741 27.782 11.630 1762 2HG2 VAL 119 2HG2 VAL 119 -31.145 28.612 12.346 1763 3HG2 VAL 119 3HG2 VAL 119 -29.613 28.514 13.248 1764 H LYS 120 H LYS 120 -30.923 23.393 11.548 1765 HA LYS 120 HA LYS 120 -32.344 22.256 13.811 1766 1HB LYS 120 1HB LYS 120 -33.708 20.793 12.507 1767 2HB LYS 120 2HB LYS 120 -34.006 22.430 11.958 1768 1HG LYS 120 1HG LYS 120 -33.700 21.433 9.892 1769 2HG LYS 120 2HG LYS 120 -32.029 21.839 10.229 1770 1HD LYS 120 1HD LYS 120 -31.452 19.623 10.788 1771 2HD LYS 120 2HD LYS 120 -33.093 19.191 11.224 1772 1HE LYS 120 1HE LYS 120 -32.354 19.897 8.355 1773 2HE LYS 120 2HE LYS 120 -32.150 18.270 8.973 1774 1HZ LYS 120 1HZ LYS 120 -34.672 19.778 8.939 1775 2HZ LYS 120 2HZ LYS 120 -34.285 18.529 7.961 1776 3HZ LYS 120 3HZ LYS 120 -34.491 18.279 9.561
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