NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15498 | 1yez | 6505 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -14.033 16.212 -13.142 2 2H MET 1 2HT MET 1 -14.026 17.792 -12.538 3 3H MET 1 3HT MET 1 -14.602 17.488 -14.101 4 HA MET 1 HA MET 1 -16.492 16.355 -13.308 5 1HB MET 1 2HB MET 1 -14.850 15.726 -11.163 6 2HB MET 1 1HB MET 1 -16.037 16.810 -10.454 7 1HG MET 1 2HG MET 1 -16.643 14.294 -11.990 8 2HG MET 1 1HG MET 1 -16.698 14.479 -10.238 9 1HE MET 1 1HE MET 1 -19.188 13.424 -10.393 10 2HE MET 1 2HE MET 1 -19.090 13.379 -12.154 11 3HE MET 1 3HE MET 1 -20.475 14.136 -11.367 12 H PHE 2 H PHE 2 -18.411 17.487 -12.641 13 HA PHE 2 HA PHE 2 -18.073 20.354 -12.461 14 1HB PHE 2 2HB PHE 2 -20.495 20.492 -12.611 15 2HB PHE 2 1HB PHE 2 -19.899 19.378 -13.834 16 HD1 PHE 2 HD1 PHE 2 -21.762 19.690 -10.698 17 HD2 PHE 2 HD2 PHE 2 -20.425 17.034 -13.740 18 HE1 PHE 2 HE1 PHE 2 -23.336 17.982 -9.889 19 HE2 PHE 2 HE2 PHE 2 -21.993 15.319 -12.936 20 HZ PHE 2 HZ PHE 2 -23.452 15.793 -11.009 21 H ARG 3 H ARG 3 -18.446 17.709 -10.363 22 HA ARG 3 HA ARG 3 -19.208 19.395 -8.096 23 1HB ARG 3 2HB ARG 3 -20.371 17.247 -8.324 24 2HB ARG 3 1HB ARG 3 -18.833 16.396 -8.304 25 1HG ARG 3 2HG ARG 3 -18.451 17.260 -6.005 26 2HG ARG 3 1HG ARG 3 -20.075 17.950 -6.044 27 1HD ARG 3 2HD ARG 3 -21.018 15.731 -6.387 28 2HD ARG 3 1HD ARG 3 -19.400 15.033 -6.386 29 HE ARG 3 HE ARG 3 -19.904 16.498 -3.994 30 1HH1 ARG 3 1HH1 ARG 3 -20.492 13.443 -5.606 31 2HH1 ARG 3 2HH1 ARG 3 -20.780 12.569 -4.130 32 1HH2 ARG 3 1HH2 ARG 3 -20.255 15.342 -2.040 33 2HH2 ARG 3 2HH2 ARG 3 -20.643 13.642 -2.105 34 H GLU 4 H GLU 4 -17.771 20.044 -6.619 35 HA GLU 4 HA GLU 4 -14.997 19.758 -7.013 36 1HB GLU 4 2HB GLU 4 -16.326 20.484 -4.400 37 2HB GLU 4 1HB GLU 4 -14.724 20.943 -4.949 38 1HG GLU 4 2HG GLU 4 -15.837 22.887 -5.320 39 2HG GLU 4 1HG GLU 4 -16.082 22.104 -6.880 40 H GLU 5 H GLU 5 -13.463 18.500 -5.985 41 HA GLU 5 HA GLU 5 -14.417 15.987 -4.932 42 1HB GLU 5 2HB GLU 5 -11.584 17.012 -5.181 43 2HB GLU 5 1HB GLU 5 -12.059 15.350 -4.870 44 1HG GLU 5 2HG GLU 5 -13.156 15.289 -7.079 45 2HG GLU 5 1HG GLU 5 -12.564 16.922 -7.384 46 H SER 6 H SER 6 -14.767 15.570 -2.850 47 HA SER 6 HA SER 6 -14.184 17.489 -0.816 48 1HB SER 6 2HB SER 6 -15.112 15.691 0.695 49 2HB SER 6 1HB SER 6 -16.186 16.158 -0.626 50 HG SER 6 HG SER 6 -15.193 13.746 -0.063 51 H ARG 7 H ARG 7 -12.363 15.149 -2.325 52 HA ARG 7 HA ARG 7 -10.349 14.197 -1.987 53 1HB ARG 7 2HB ARG 7 -10.237 16.389 0.060 54 2HB ARG 7 1HB ARG 7 -8.926 15.222 -0.073 55 1HG ARG 7 2HG ARG 7 -9.931 16.997 -2.292 56 2HG ARG 7 1HG ARG 7 -8.461 17.251 -1.345 57 1HD ARG 7 2HD ARG 7 -8.722 14.596 -2.591 58 2HD ARG 7 1HD ARG 7 -8.552 15.939 -3.717 59 HE ARG 7 HE ARG 7 -6.382 16.235 -3.023 60 1HH1 ARG 7 1HH1 ARG 7 -7.944 13.994 -0.804 61 2HH1 ARG 7 2HH1 ARG 7 -6.446 13.441 -0.125 62 1HH2 ARG 7 1HH2 ARG 7 -4.428 15.466 -2.148 63 2HH2 ARG 7 2HH2 ARG 7 -4.463 14.280 -0.871 64 H SER 8 H SER 8 -12.800 13.306 -0.522 65 HA SER 8 HA SER 8 -11.969 12.056 1.878 66 1HB SER 8 2HB SER 8 -14.156 11.169 -0.024 67 2HB SER 8 1HB SER 8 -14.021 10.772 1.689 68 HG SER 8 HG SER 8 -14.588 12.793 2.240 69 H VAL 9 H VAL 9 -10.062 10.969 1.633 70 HA VAL 9 HA VAL 9 -9.934 8.866 -0.407 71 HB VAL 9 HB VAL 9 -7.442 8.988 -0.029 72 1HG1 VAL 9 1HG1 VAL 9 -8.805 11.489 -1.021 73 2HG1 VAL 9 2HG1 VAL 9 -8.482 10.033 -1.964 74 3HG1 VAL 9 3HG1 VAL 9 -7.144 11.017 -1.373 75 1HG2 VAL 9 1HG2 VAL 9 -7.459 10.059 2.159 76 2HG2 VAL 9 2HG2 VAL 9 -8.181 11.506 1.457 77 3HG2 VAL 9 3HG2 VAL 9 -6.547 11.025 1.000 78 HA PRO 10 HA PRO 10 -9.760 5.722 2.663 79 1HB PRO 10 2HB PRO 10 -7.578 4.371 1.275 80 2HB PRO 10 1HB PRO 10 -9.256 3.869 1.471 81 1HG PRO 10 2HG PRO 10 -8.190 4.695 -0.900 82 2HG PRO 10 1HG PRO 10 -9.906 4.831 -0.490 83 1HD PRO 10 2HD PRO 10 -7.801 6.932 -0.543 84 2HD PRO 10 1HD PRO 10 -9.535 7.053 -0.884 85 H VAL 11 H VAL 11 -6.570 6.871 1.570 86 HA VAL 11 HA VAL 11 -5.553 6.355 4.278 87 HB VAL 11 HB VAL 11 -3.360 5.748 3.290 88 1HG1 VAL 11 1HG1 VAL 11 -4.891 4.001 3.993 89 2HG1 VAL 11 2HG1 VAL 11 -4.004 3.498 2.554 90 3HG1 VAL 11 3HG1 VAL 11 -5.680 4.031 2.415 91 1HG2 VAL 11 1HG2 VAL 11 -3.578 6.858 1.135 92 2HG2 VAL 11 2HG2 VAL 11 -4.878 5.755 0.681 93 3HG2 VAL 11 3HG2 VAL 11 -3.241 5.140 0.914 94 H GLU 12 H GLU 12 -4.101 7.744 5.124 95 HA GLU 12 HA GLU 12 -3.389 10.130 3.540 96 1HB GLU 12 2HB GLU 12 -4.402 9.863 6.324 97 2HB GLU 12 1HB GLU 12 -3.153 11.066 6.043 98 1HG GLU 12 2HG GLU 12 -5.765 10.918 4.557 99 2HG GLU 12 1HG GLU 12 -5.431 11.980 5.924 100 H GLU 13 H GLU 13 -1.417 11.245 4.570 101 HA GLU 13 HA GLU 13 0.766 9.446 4.465 102 1HB GLU 13 2HB GLU 13 0.748 12.301 5.459 103 2HB GLU 13 1HB GLU 13 2.153 11.392 4.918 104 1HG GLU 13 2HG GLU 13 1.175 11.260 2.670 105 2HG GLU 13 1HG GLU 13 -0.189 12.225 3.224 106 H GLY 14 H GLY 14 1.583 8.202 6.007 107 1HA GLY 14 2HA GLY 14 2.709 7.967 8.074 108 2HA GLY 14 1HA GLY 14 1.719 9.251 8.738 109 H GLU 15 H GLU 15 0.199 6.673 6.952 110 HA GLU 15 HA GLU 15 -0.998 5.804 9.503 111 1HB GLU 15 2HB GLU 15 -2.076 5.510 6.696 112 2HB GLU 15 1HB GLU 15 -2.873 4.948 8.159 113 1HG GLU 15 2HG GLU 15 -2.836 7.349 8.946 114 2HG GLU 15 1HG GLU 15 -2.354 7.778 7.305 115 H VAL 16 H VAL 16 -1.807 3.438 9.399 116 HA VAL 16 HA VAL 16 0.048 1.718 7.942 117 HB VAL 16 HB VAL 16 1.159 2.072 10.080 118 1HG1 VAL 16 1HG1 VAL 16 0.155 1.372 12.193 119 2HG1 VAL 16 2HG1 VAL 16 -1.356 1.009 11.357 120 3HG1 VAL 16 3HG1 VAL 16 -0.770 2.670 11.437 121 1HG2 VAL 16 1HG2 VAL 16 -0.071 -0.674 9.861 122 2HG2 VAL 16 2HG2 VAL 16 1.353 -0.270 10.820 123 3HG2 VAL 16 3HG2 VAL 16 1.400 -0.113 9.064 124 H TYR 17 H TYR 17 -0.926 -0.042 7.145 125 HA TYR 17 HA TYR 17 -3.482 -0.899 8.318 126 1HB TYR 17 2HB TYR 17 -2.972 -0.334 5.392 127 2HB TYR 17 1HB TYR 17 -4.389 -1.183 6.000 128 HD1 TYR 17 HD1 TYR 17 -6.213 0.005 6.964 129 HD2 TYR 17 HD2 TYR 17 -2.629 2.063 5.952 130 HE1 TYR 17 HE1 TYR 17 -7.353 2.153 7.316 131 HE2 TYR 17 HE2 TYR 17 -3.759 4.214 6.302 132 HH TYR 17 HH TYR 17 -5.823 5.205 6.508 133 H ASP 18 H ASP 18 -3.886 -3.058 8.272 134 HA ASP 18 HA ASP 18 -1.757 -4.841 7.461 135 1HB ASP 18 2HB ASP 18 -4.497 -5.388 8.637 136 2HB ASP 18 1HB ASP 18 -3.315 -6.638 8.271 137 H VAL 19 H VAL 19 -1.603 -4.861 5.261 138 HA VAL 19 HA VAL 19 -4.089 -5.313 3.744 139 HB VAL 19 HB VAL 19 -2.993 -4.304 1.814 140 1HG1 VAL 19 1HG1 VAL 19 -2.870 -1.985 2.627 141 2HG1 VAL 19 2HG1 VAL 19 -2.853 -2.581 4.286 142 3HG1 VAL 19 3HG1 VAL 19 -4.269 -2.845 3.269 143 1HG2 VAL 19 1HG2 VAL 19 -0.708 -4.913 2.230 144 2HG2 VAL 19 2HG2 VAL 19 -0.665 -3.930 3.693 145 3HG2 VAL 19 3HG2 VAL 19 -0.808 -3.155 2.114 146 H THR 20 H THR 20 -3.972 -6.633 1.877 147 HA THR 20 HA THR 20 -1.754 -8.562 1.888 148 HB THR 20 HB THR 20 -4.494 -8.985 0.669 149 HG1 THR 20 HG1 THR 20 -4.302 -8.696 3.110 150 1HG2 THR 20 1HG2 THR 20 -2.671 -10.402 -0.189 151 2HG2 THR 20 2HG2 THR 20 -3.868 -11.336 0.711 152 3HG2 THR 20 3HG2 THR 20 -2.320 -10.930 1.457 153 H ILE 21 H ILE 21 -0.433 -8.488 0.167 154 HA ILE 21 HA ILE 21 -0.827 -6.548 -1.877 155 HB ILE 21 HB ILE 21 1.168 -8.818 -1.804 156 1HG1 ILE 21 2HG1 ILE 21 1.338 -7.405 0.185 157 2HG1 ILE 21 1HG1 ILE 21 2.718 -7.150 -0.873 158 1HG2 ILE 21 1HG2 ILE 21 2.478 -7.411 -3.325 159 2HG2 ILE 21 2HG2 ILE 21 1.161 -6.239 -3.364 160 3HG2 ILE 21 3HG2 ILE 21 0.921 -7.856 -4.024 161 1HD1 ILE 21 1HD1 ILE 21 0.321 -5.343 -0.660 162 2HD1 ILE 21 2HD1 ILE 21 1.734 -5.076 -1.683 163 3HD1 ILE 21 3HD1 ILE 21 1.900 -5.060 0.073 164 H GLN 22 H GLN 22 -2.506 -6.857 -3.209 165 HA GLN 22 HA GLN 22 -3.292 -9.491 -4.073 166 1HB GLN 22 2HB GLN 22 -4.371 -6.783 -4.871 167 2HB GLN 22 1HB GLN 22 -5.127 -8.333 -5.208 168 1HG GLN 22 2HG GLN 22 -4.671 -7.126 -2.489 169 2HG GLN 22 1HG GLN 22 -6.210 -7.233 -3.345 170 1HE2 GLN 22 1HE2 GLN 22 -7.240 -9.225 -3.515 171 2HE2 GLN 22 2HE2 GLN 22 -6.808 -10.576 -2.508 172 H ASP 23 H ASP 23 -1.659 -6.703 -5.469 173 HA ASP 23 HA ASP 23 -1.037 -8.369 -7.805 174 1HB ASP 23 2HB ASP 23 -2.978 -6.846 -8.320 175 2HB ASP 23 1HB ASP 23 -1.904 -5.482 -8.042 176 H ILE 24 H ILE 24 0.728 -7.198 -9.170 177 HA ILE 24 HA ILE 24 2.499 -5.558 -7.549 178 HB ILE 24 HB ILE 24 3.278 -8.292 -8.570 179 1HG1 ILE 24 2HG1 ILE 24 3.457 -6.960 -5.858 180 2HG1 ILE 24 1HG1 ILE 24 2.394 -8.290 -6.313 181 1HG2 ILE 24 1HG2 ILE 24 5.122 -6.085 -7.669 182 2HG2 ILE 24 2HG2 ILE 24 4.980 -6.723 -9.306 183 3HG2 ILE 24 3HG2 ILE 24 5.600 -7.748 -8.012 184 1HD1 ILE 24 1HD1 ILE 24 4.328 -9.735 -6.620 185 2HD1 ILE 24 2HD1 ILE 24 4.280 -9.063 -4.991 186 3HD1 ILE 24 3HD1 ILE 24 5.399 -8.404 -6.186 187 H ALA 25 H ALA 25 3.465 -4.072 -8.761 188 HA ALA 25 HA ALA 25 3.141 -4.140 -11.640 189 1HB ALA 25 1HB ALA 25 2.799 -2.060 -10.373 190 2HB ALA 25 2HB ALA 25 4.069 -1.895 -11.586 191 3HB ALA 25 3HB ALA 25 4.495 -2.091 -9.885 192 H ARG 26 H ARG 26 4.856 -4.197 -13.130 193 HA ARG 26 HA ARG 26 6.842 -6.071 -12.427 194 1HB ARG 26 2HB ARG 26 6.463 -4.420 -14.915 195 2HB ARG 26 1HB ARG 26 7.708 -5.652 -14.748 196 1HG ARG 26 2HG ARG 26 5.962 -7.329 -14.323 197 2HG ARG 26 1HG ARG 26 4.735 -6.084 -14.561 198 1HD ARG 26 2HD ARG 26 6.789 -6.819 -16.631 199 2HD ARG 26 1HD ARG 26 5.192 -7.556 -16.545 200 HE ARG 26 HE ARG 26 5.264 -4.657 -16.702 201 1HH1 ARG 26 1HH1 ARG 26 4.865 -7.718 -18.357 202 2HH1 ARG 26 2HH1 ARG 26 4.107 -7.008 -19.758 203 1HH2 ARG 26 1HH2 ARG 26 4.264 -3.716 -18.536 204 2HH2 ARG 26 2HH2 ARG 26 3.778 -4.731 -19.864 205 H GLN 27 H GLN 27 8.145 -5.419 -10.901 206 HA GLN 27 HA GLN 27 10.543 -4.223 -11.279 207 1HB GLN 27 2HB GLN 27 9.403 -2.102 -11.807 208 2HB GLN 27 1HB GLN 27 8.565 -2.160 -10.263 209 1HG GLN 27 2HG GLN 27 10.436 -0.596 -10.226 210 2HG GLN 27 1HG GLN 27 10.659 -1.911 -9.074 211 1HE2 GLN 27 1HE2 GLN 27 11.160 -2.194 -12.529 212 2HE2 GLN 27 2HE2 GLN 27 12.872 -2.425 -12.447 213 H GLY 28 H GLY 28 7.804 -4.800 -9.265 214 1HA GLY 28 2HA GLY 28 8.278 -6.366 -7.402 215 2HA GLY 28 1HA GLY 28 9.622 -5.312 -6.988 216 H ASP 29 H ASP 29 7.035 -3.488 -8.046 217 HA ASP 29 HA ASP 29 6.511 -2.544 -5.363 218 1HB ASP 29 2HB ASP 29 5.235 -1.667 -7.961 219 2HB ASP 29 1HB ASP 29 5.180 -0.814 -6.425 220 H GLY 30 H GLY 30 5.092 -3.551 -4.123 221 1HA GLY 30 2HA GLY 30 3.038 -5.246 -5.143 222 2HA GLY 30 1HA GLY 30 3.239 -4.741 -3.470 223 H ILE 31 H ILE 31 1.073 -4.759 -5.783 224 HA ILE 31 HA ILE 31 0.176 -1.994 -5.526 225 HB ILE 31 HB ILE 31 -0.824 -4.255 -7.263 226 1HG1 ILE 31 2HG1 ILE 31 0.621 -1.679 -7.943 227 2HG1 ILE 31 1HG1 ILE 31 1.345 -3.283 -7.929 228 1HG2 ILE 31 1HG2 ILE 31 -2.254 -2.548 -8.335 229 2HG2 ILE 31 2HG2 ILE 31 -1.794 -1.406 -7.073 230 3HG2 ILE 31 3HG2 ILE 31 -2.699 -2.860 -6.658 231 1HD1 ILE 31 1HD1 ILE 31 -0.856 -2.354 -9.757 232 2HD1 ILE 31 2HD1 ILE 31 -0.145 -3.967 -9.739 233 3HD1 ILE 31 3HD1 ILE 31 0.840 -2.574 -10.186 234 H ALA 32 H ALA 32 -0.824 -1.660 -3.673 235 HA ALA 32 HA ALA 32 -2.925 -3.517 -2.811 236 1HB ALA 32 1HB ALA 32 -1.818 -1.094 -1.386 237 2HB ALA 32 2HB ALA 32 -1.314 -2.760 -1.100 238 3HB ALA 32 3HB ALA 32 -2.964 -2.262 -0.728 239 H ARG 33 H ARG 33 -4.610 -3.127 -4.143 240 HA ARG 33 HA ARG 33 -5.349 -0.377 -4.752 241 1HB ARG 33 2HB ARG 33 -7.041 -1.547 -6.279 242 2HB ARG 33 1HB ARG 33 -5.338 -1.677 -6.699 243 1HG ARG 33 2HG ARG 33 -5.248 -3.912 -5.764 244 2HG ARG 33 1HG ARG 33 -6.930 -3.782 -5.247 245 1HD ARG 33 2HD ARG 33 -5.975 -3.641 -8.105 246 2HD ARG 33 1HD ARG 33 -6.659 -5.074 -7.337 247 HE ARG 33 HE ARG 33 -8.505 -3.039 -6.995 248 1HH1 ARG 33 1HH1 ARG 33 -7.031 -4.765 -9.657 249 2HH1 ARG 33 2HH1 ARG 33 -8.396 -4.564 -10.714 250 1HH2 ARG 33 1HH2 ARG 33 -10.297 -2.761 -8.367 251 2HH2 ARG 33 2HH2 ARG 33 -10.262 -3.419 -9.982 252 H ILE 34 H ILE 34 -6.290 0.390 -2.911 253 HA ILE 34 HA ILE 34 -8.497 -1.094 -1.724 254 HB ILE 34 HB ILE 34 -7.267 1.548 -0.945 255 1HG1 ILE 34 2HG1 ILE 34 -7.126 -1.220 0.265 256 2HG1 ILE 34 1HG1 ILE 34 -5.813 -0.361 -0.535 257 1HG2 ILE 34 1HG2 ILE 34 -8.638 1.428 1.065 258 2HG2 ILE 34 2HG2 ILE 34 -9.397 -0.051 0.475 259 3HG2 ILE 34 3HG2 ILE 34 -9.651 1.472 -0.379 260 1HD1 ILE 34 1HD1 ILE 34 -7.161 0.455 2.024 261 2HD1 ILE 34 2HD1 ILE 34 -5.836 1.311 1.233 262 3HD1 ILE 34 3HD1 ILE 34 -5.577 -0.310 1.880 263 H GLU 35 H GLU 35 -10.354 -0.977 -2.642 264 HA GLU 35 HA GLU 35 -12.176 -0.315 -3.825 265 1HB GLU 35 2HB GLU 35 -11.430 2.311 -2.561 266 2HB GLU 35 1HB GLU 35 -12.890 2.089 -3.513 267 1HG GLU 35 2HG GLU 35 -13.498 0.235 -1.914 268 2HG GLU 35 1HG GLU 35 -12.166 0.799 -0.904 269 H GLY 36 H GLY 36 -9.303 0.165 -4.957 270 1HA GLY 36 2HA GLY 36 -9.170 0.363 -7.409 271 2HA GLY 36 1HA GLY 36 -10.243 1.746 -7.267 272 H PHE 37 H PHE 37 -8.658 2.503 -4.749 273 HA PHE 37 HA PHE 37 -6.783 4.214 -6.075 274 1HB PHE 37 2HB PHE 37 -8.008 4.865 -4.001 275 2HB PHE 37 1HB PHE 37 -7.072 3.670 -3.110 276 HD1 PHE 37 HD1 PHE 37 -6.801 6.775 -5.103 277 HD2 PHE 37 HD2 PHE 37 -4.936 4.184 -2.290 278 HE1 PHE 37 HE1 PHE 37 -5.038 8.454 -4.730 279 HE2 PHE 37 HE2 PHE 37 -3.175 5.855 -1.912 280 HZ PHE 37 HZ PHE 37 -3.219 7.992 -3.131 281 H VAL 38 H VAL 38 -4.690 3.845 -6.500 282 HA VAL 38 HA VAL 38 -3.671 1.197 -5.812 283 HB VAL 38 HB VAL 38 -2.643 3.225 -7.806 284 1HG1 VAL 38 1HG1 VAL 38 -0.856 1.798 -6.939 285 2HG1 VAL 38 2HG1 VAL 38 -1.205 1.434 -8.627 286 3HG1 VAL 38 3HG1 VAL 38 -1.797 0.365 -7.358 287 1HG2 VAL 38 1HG2 VAL 38 -4.802 2.285 -8.432 288 2HG2 VAL 38 2HG2 VAL 38 -4.168 0.653 -8.215 289 3HG2 VAL 38 3HG2 VAL 38 -3.525 1.687 -9.491 290 H ILE 39 H ILE 39 -2.563 1.061 -4.014 291 HA ILE 39 HA ILE 39 -0.625 3.157 -3.321 292 HB ILE 39 HB ILE 39 -1.530 0.783 -1.673 293 1HG1 ILE 39 2HG1 ILE 39 -2.338 3.676 -1.347 294 2HG1 ILE 39 1HG1 ILE 39 -3.319 2.489 -2.197 295 1HG2 ILE 39 1HG2 ILE 39 0.692 1.619 -1.073 296 2HG2 ILE 39 2HG2 ILE 39 -0.484 1.955 0.198 297 3HG2 ILE 39 3HG2 ILE 39 0.031 3.246 -0.887 298 1HD1 ILE 39 1HD1 ILE 39 -2.503 2.340 0.694 299 2HD1 ILE 39 2HD1 ILE 39 -3.517 1.176 -0.163 300 3HD1 ILE 39 3HD1 ILE 39 -4.084 2.828 0.084 301 H PHE 40 H PHE 40 1.493 2.805 -3.673 302 HA PHE 40 HA PHE 40 2.303 0.164 -4.638 303 1HB PHE 40 2HB PHE 40 3.642 2.867 -4.779 304 2HB PHE 40 1HB PHE 40 4.425 1.376 -5.290 305 HD1 PHE 40 HD1 PHE 40 3.378 0.039 -7.141 306 HD2 PHE 40 HD2 PHE 40 2.176 4.012 -6.197 307 HE1 PHE 40 HE1 PHE 40 2.361 0.258 -9.371 308 HE2 PHE 40 HE2 PHE 40 1.155 4.237 -8.422 309 HZ PHE 40 HZ PHE 40 1.247 2.359 -10.013 310 H VAL 41 H VAL 41 3.259 -1.208 -3.342 311 HA VAL 41 HA VAL 41 4.915 -0.158 -1.134 312 HB VAL 41 HB VAL 41 3.502 -2.833 -1.144 313 1HG1 VAL 41 1HG1 VAL 41 5.493 -2.745 0.243 314 2HG1 VAL 41 2HG1 VAL 41 4.047 -2.824 1.248 315 3HG1 VAL 41 3HG1 VAL 41 4.893 -1.291 1.042 316 1HG2 VAL 41 1HG2 VAL 41 1.831 -1.066 -1.104 317 2HG2 VAL 41 2HG2 VAL 41 2.676 -0.274 0.224 318 3HG2 VAL 41 3HG2 VAL 41 1.930 -1.852 0.472 319 HA PRO 42 HA PRO 42 7.678 -2.212 -4.136 320 1HB PRO 42 2HB PRO 42 9.729 -0.612 -2.767 321 2HB PRO 42 1HB PRO 42 9.280 -0.640 -4.474 322 1HG PRO 42 2HG PRO 42 8.696 1.452 -2.891 323 2HG PRO 42 1HG PRO 42 7.619 0.937 -4.202 324 1HD PRO 42 2HD PRO 42 7.401 0.430 -1.258 325 2HD PRO 42 1HD PRO 42 6.130 0.858 -2.424 326 H GLY 43 H GLY 43 8.480 -4.165 -3.774 327 1HA GLY 43 2HA GLY 43 10.119 -5.604 -2.846 328 2HA GLY 43 1HA GLY 43 10.162 -4.596 -1.410 329 H THR 44 H THR 44 7.373 -6.040 -3.051 330 HA THR 44 HA THR 44 6.935 -7.707 -0.668 331 HB THR 44 HB THR 44 4.436 -7.358 -1.207 332 HG1 THR 44 HG1 THR 44 5.110 -4.815 -2.118 333 1HG2 THR 44 1HG2 THR 44 5.499 -6.522 0.825 334 2HG2 THR 44 2HG2 THR 44 4.347 -5.344 0.198 335 3HG2 THR 44 3HG2 THR 44 6.076 -5.102 -0.048 336 H LYS 45 H LYS 45 4.738 -9.114 -1.450 337 HA LYS 45 HA LYS 45 5.426 -10.383 -3.995 338 1HB LYS 45 2HB LYS 45 6.689 -11.584 -2.267 339 2HB LYS 45 1HB LYS 45 5.212 -11.832 -1.349 340 1HG LYS 45 2HG LYS 45 4.325 -13.136 -3.288 341 2HG LYS 45 1HG LYS 45 5.925 -13.013 -4.020 342 1HD LYS 45 2HD LYS 45 5.673 -15.127 -2.862 343 2HD LYS 45 1HD LYS 45 6.890 -14.128 -2.062 344 1HE LYS 45 2HE LYS 45 5.126 -13.399 -0.457 345 2HE LYS 45 1HE LYS 45 4.033 -14.563 -1.203 346 1HZ LYS 45 1HZ LYS 45 5.068 -15.432 0.804 347 2HZ LYS 45 2HZ LYS 45 6.605 -15.225 0.127 348 3HZ LYS 45 3HZ LYS 45 5.521 -16.341 -0.558 349 H VAL 46 H VAL 46 3.708 -11.656 -4.882 350 HA VAL 46 HA VAL 46 1.114 -10.658 -4.410 351 HB VAL 46 HB VAL 46 1.814 -13.260 -5.787 352 1HG1 VAL 46 1HG1 VAL 46 -0.266 -12.870 -7.033 353 2HG1 VAL 46 2HG1 VAL 46 -0.580 -11.442 -6.045 354 3HG1 VAL 46 3HG1 VAL 46 -0.551 -13.040 -5.301 355 1HG2 VAL 46 1HG2 VAL 46 3.116 -11.442 -6.733 356 2HG2 VAL 46 2HG2 VAL 46 1.654 -10.470 -6.930 357 3HG2 VAL 46 3HG2 VAL 46 1.862 -11.953 -7.864 358 H GLY 47 H GLY 47 -0.198 -11.063 -2.779 359 1HA GLY 47 2HA GLY 47 -1.551 -12.481 -1.463 360 2HA GLY 47 1HA GLY 47 -0.413 -13.793 -1.741 361 H ASP 48 H ASP 48 1.370 -11.114 -1.002 362 HA ASP 48 HA ASP 48 2.031 -12.163 1.589 363 1HB ASP 48 2HB ASP 48 3.672 -11.143 -0.039 364 2HB ASP 48 1HB ASP 48 2.988 -9.573 0.362 365 H GLU 49 H GLU 49 1.031 -11.697 3.412 366 HA GLU 49 HA GLU 49 -0.688 -9.332 3.562 367 1HB GLU 49 2HB GLU 49 -1.524 -10.522 5.673 368 2HB GLU 49 1HB GLU 49 -1.905 -11.271 4.128 369 1HG GLU 49 2HG GLU 49 -0.116 -12.870 4.417 370 2HG GLU 49 1HG GLU 49 0.390 -12.074 5.903 371 H VAL 50 H VAL 50 0.274 -7.570 4.387 372 HA VAL 50 HA VAL 50 2.004 -7.873 6.733 373 HB VAL 50 HB VAL 50 3.639 -6.241 5.735 374 1HG1 VAL 50 1HG1 VAL 50 4.171 -8.605 5.901 375 2HG1 VAL 50 2HG1 VAL 50 4.828 -7.927 4.410 376 3HG1 VAL 50 3HG1 VAL 50 3.365 -8.909 4.362 377 1HG2 VAL 50 1HG2 VAL 50 3.717 -6.029 3.299 378 2HG2 VAL 50 2HG2 VAL 50 2.211 -5.376 3.946 379 3HG2 VAL 50 3HG2 VAL 50 2.224 -6.959 3.166 380 H ARG 51 H ARG 51 2.394 -5.921 7.905 381 HA ARG 51 HA ARG 51 0.300 -3.934 7.644 382 1HB ARG 51 2HB ARG 51 2.589 -4.206 9.601 383 2HB ARG 51 1HB ARG 51 1.411 -2.902 9.640 384 1HG ARG 51 2HG ARG 51 -0.377 -4.511 10.002 385 2HG ARG 51 1HG ARG 51 0.795 -5.826 9.943 386 1HD ARG 51 2HD ARG 51 0.728 -3.584 11.959 387 2HD ARG 51 1HD ARG 51 0.229 -5.250 12.245 388 HE ARG 51 HE ARG 51 2.870 -5.311 11.337 389 1HH1 ARG 51 1HH1 ARG 51 1.062 -4.164 14.128 390 2HH1 ARG 51 2HH1 ARG 51 2.415 -4.314 15.213 391 1HH2 ARG 51 1HH2 ARG 51 4.624 -5.531 12.766 392 2HH2 ARG 51 2HH2 ARG 51 4.423 -5.123 14.450 393 H ILE 52 H ILE 52 0.547 -2.450 6.143 394 HA ILE 52 HA ILE 52 3.258 -1.563 5.482 395 HB ILE 52 HB ILE 52 2.292 -0.458 3.525 396 1HG1 ILE 52 2HG1 ILE 52 -0.331 -1.761 4.277 397 2HG1 ILE 52 1HG1 ILE 52 0.026 -0.062 4.564 398 1HG2 ILE 52 1HG2 ILE 52 3.097 -2.764 3.387 399 2HG2 ILE 52 2HG2 ILE 52 1.774 -2.463 2.260 400 3HG2 ILE 52 3HG2 ILE 52 1.475 -3.349 3.756 401 1HD1 ILE 52 1HD1 ILE 52 0.313 0.286 2.170 402 2HD1 ILE 52 2HD1 ILE 52 -1.285 -0.357 2.549 403 3HD1 ILE 52 3HD1 ILE 52 -0.045 -1.419 1.884 404 H LYS 53 H LYS 53 4.009 0.347 6.004 405 HA LYS 53 HA LYS 53 2.259 2.257 7.347 406 1HB LYS 53 2HB LYS 53 4.454 1.691 8.353 407 2HB LYS 53 1HB LYS 53 5.256 2.275 6.905 408 1HG LYS 53 2HG LYS 53 5.460 3.971 8.527 409 2HG LYS 53 1HG LYS 53 4.246 4.526 7.373 410 1HD LYS 53 2HD LYS 53 2.469 4.022 8.872 411 2HD LYS 53 1HD LYS 53 3.550 3.148 9.962 412 1HE LYS 53 2HE LYS 53 4.771 5.306 10.320 413 2HE LYS 53 1HE LYS 53 3.494 6.107 9.407 414 1HZ LYS 53 1HZ LYS 53 3.083 4.537 11.898 415 2HZ LYS 53 2HZ LYS 53 1.890 5.380 11.042 416 3HZ LYS 53 3HZ LYS 53 3.137 6.230 11.809 417 H VAL 54 H VAL 54 1.125 3.407 5.878 418 HA VAL 54 HA VAL 54 2.141 4.147 3.321 419 HB VAL 54 HB VAL 54 -0.194 5.317 4.864 420 1HG1 VAL 54 1HG1 VAL 54 -0.961 6.141 2.684 421 2HG1 VAL 54 2HG1 VAL 54 0.526 5.549 1.941 422 3HG1 VAL 54 3HG1 VAL 54 0.594 6.843 3.137 423 1HG2 VAL 54 1HG2 VAL 54 -0.092 3.186 2.734 424 2HG2 VAL 54 2HG2 VAL 54 -1.565 3.889 3.405 425 3HG2 VAL 54 3HG2 VAL 54 -0.487 2.949 4.437 426 H GLU 55 H GLU 55 3.979 5.250 3.406 427 HA GLU 55 HA GLU 55 4.671 7.096 5.415 428 1HB GLU 55 2HB GLU 55 5.843 6.762 2.646 429 2HB GLU 55 1HB GLU 55 6.601 7.603 3.985 430 1HG GLU 55 2HG GLU 55 6.614 5.459 5.247 431 2HG GLU 55 1HG GLU 55 6.013 4.662 3.793 432 H ARG 56 H ARG 56 3.556 7.503 2.073 433 HA ARG 56 HA ARG 56 2.558 10.147 2.708 434 1HB ARG 56 2HB ARG 56 4.695 9.738 0.611 435 2HB ARG 56 1HB ARG 56 3.714 11.189 0.749 436 1HG ARG 56 2HG ARG 56 4.614 11.430 3.090 437 2HG ARG 56 1HG ARG 56 5.754 10.144 2.687 438 1HD ARG 56 2HD ARG 56 6.783 12.310 2.352 439 2HD ARG 56 1HD ARG 56 6.578 11.487 0.805 440 HE ARG 56 HE ARG 56 4.403 13.257 1.484 441 1HH1 ARG 56 1HH1 ARG 56 7.577 13.013 -0.007 442 2HH1 ARG 56 2HH1 ARG 56 7.368 14.446 -0.969 443 1HH2 ARG 56 1HH2 ARG 56 4.129 15.137 0.219 444 2HH2 ARG 56 2HH2 ARG 56 5.412 15.651 -0.841 445 H VAL 57 H VAL 57 1.295 11.059 0.905 446 HA VAL 57 HA VAL 57 0.361 9.006 -0.976 447 HB VAL 57 HB VAL 57 -1.956 9.852 -0.741 448 1HG1 VAL 57 1HG1 VAL 57 -1.288 7.857 0.471 449 2HG1 VAL 57 2HG1 VAL 57 -2.447 8.794 1.414 450 3HG1 VAL 57 3HG1 VAL 57 -0.732 8.845 1.823 451 1HG2 VAL 57 1HG2 VAL 57 -1.470 12.088 0.111 452 2HG2 VAL 57 2HG2 VAL 57 -0.867 11.393 1.616 453 3HG2 VAL 57 3HG2 VAL 57 -2.570 11.229 1.189 454 H LEU 58 H LEU 58 0.117 9.660 -3.016 455 HA LEU 58 HA LEU 58 0.345 12.539 -3.587 456 1HB LEU 58 2HB LEU 58 1.159 10.126 -5.220 457 2HB LEU 58 1HB LEU 58 1.035 11.731 -5.907 458 HG LEU 58 HG LEU 58 3.329 11.356 -5.463 459 1HD1 LEU 58 1HD1 LEU 58 3.866 13.079 -3.801 460 2HD1 LEU 58 2HD1 LEU 58 2.183 13.068 -3.268 461 3HD1 LEU 58 3HD1 LEU 58 2.587 13.582 -4.907 462 1HD2 LEU 58 1HD2 LEU 58 4.196 10.734 -3.251 463 2HD2 LEU 58 2HD2 LEU 58 3.159 9.483 -3.934 464 3HD2 LEU 58 3HD2 LEU 58 2.543 10.543 -2.666 465 HA PRO 59 HA PRO 59 -3.708 12.763 -5.158 466 1HB PRO 59 2HB PRO 59 -2.662 13.763 -7.749 467 2HB PRO 59 1HB PRO 59 -3.818 14.502 -6.635 468 1HG PRO 59 2HG PRO 59 -1.327 15.415 -6.803 469 2HG PRO 59 1HG PRO 59 -2.159 15.314 -5.240 470 1HD PRO 59 2HD PRO 59 -0.060 13.528 -6.392 471 2HD PRO 59 1HD PRO 59 -0.277 14.083 -4.720 472 H LYS 60 H LYS 60 -1.411 10.925 -6.961 473 HA LYS 60 HA LYS 60 -3.608 9.686 -8.480 474 1HB LYS 60 2HB LYS 60 -0.703 9.942 -9.268 475 2HB LYS 60 1HB LYS 60 -1.927 9.082 -10.190 476 1HG LYS 60 2HG LYS 60 -1.910 12.036 -9.594 477 2HG LYS 60 1HG LYS 60 -1.499 11.278 -11.133 478 1HD LYS 60 2HD LYS 60 -3.798 10.342 -11.227 479 2HD LYS 60 1HD LYS 60 -4.184 11.237 -9.757 480 1HE LYS 60 2HE LYS 60 -3.271 12.467 -12.358 481 2HE LYS 60 1HE LYS 60 -4.941 12.389 -11.800 482 1HZ LYS 60 1HZ LYS 60 -3.859 14.543 -11.361 483 2HZ LYS 60 2HZ LYS 60 -2.750 13.770 -10.339 484 3HZ LYS 60 3HZ LYS 60 -4.401 13.783 -9.944 485 H PHE 61 H PHE 61 -1.180 9.125 -6.141 486 HA PHE 61 HA PHE 61 -1.805 6.381 -5.845 487 1HB PHE 61 2HB PHE 61 0.417 5.434 -6.470 488 2HB PHE 61 1HB PHE 61 -0.490 6.041 -7.848 489 HD1 PHE 61 HD1 PHE 61 2.442 6.531 -5.723 490 HD2 PHE 61 HD2 PHE 61 0.255 7.990 -9.068 491 HE1 PHE 61 HE1 PHE 61 4.374 7.895 -6.388 492 HE2 PHE 61 HE2 PHE 61 2.185 9.363 -9.737 493 HZ PHE 61 HZ PHE 61 4.248 9.315 -8.396 494 H ALA 62 H ALA 62 -0.449 5.340 -4.148 495 HA ALA 62 HA ALA 62 0.721 7.396 -2.379 496 1HB ALA 62 1HB ALA 62 -1.467 6.602 -1.568 497 2HB ALA 62 2HB ALA 62 -0.155 6.183 -0.466 498 3HB ALA 62 3HB ALA 62 -0.838 4.956 -1.532 499 H PHE 63 H PHE 63 2.376 6.688 -0.929 500 HA PHE 63 HA PHE 63 3.810 4.277 -1.847 501 1HB PHE 63 2HB PHE 63 4.841 6.909 -0.795 502 2HB PHE 63 1HB PHE 63 5.835 5.458 -0.782 503 HD1 PHE 63 HD1 PHE 63 5.957 4.211 -3.107 504 HD2 PHE 63 HD2 PHE 63 5.000 8.324 -2.586 505 HE1 PHE 63 HE1 PHE 63 6.680 4.668 -5.416 506 HE2 PHE 63 HE2 PHE 63 5.716 8.789 -4.890 507 HZ PHE 63 HZ PHE 63 6.559 6.961 -6.309 508 H ALA 64 H ALA 64 4.268 2.736 -0.384 509 HA ALA 64 HA ALA 64 4.204 3.391 2.460 510 1HB ALA 64 1HB ALA 64 2.509 1.199 1.261 511 2HB ALA 64 2HB ALA 64 1.908 2.718 1.919 512 3HB ALA 64 3HB ALA 64 2.690 1.547 2.980 513 H SER 65 H SER 65 5.227 1.789 3.779 514 HA SER 65 HA SER 65 6.804 -0.198 2.291 515 1HB SER 65 2HB SER 65 8.195 1.791 2.916 516 2HB SER 65 1HB SER 65 7.843 1.454 4.610 517 HG SER 65 HG SER 65 9.431 0.088 4.548 518 H VAL 66 H VAL 66 7.534 -2.001 3.616 519 HA VAL 66 HA VAL 66 5.381 -2.862 5.354 520 HB VAL 66 HB VAL 66 7.829 -4.348 4.375 521 1HG1 VAL 66 1HG1 VAL 66 6.598 -6.375 5.076 522 2HG1 VAL 66 2HG1 VAL 66 5.384 -5.342 5.832 523 3HG1 VAL 66 3HG1 VAL 66 7.044 -5.335 6.429 524 1HG2 VAL 66 1HG2 VAL 66 4.966 -4.405 3.431 525 2HG2 VAL 66 2HG2 VAL 66 6.251 -5.471 2.861 526 3HG2 VAL 66 3HG2 VAL 66 6.344 -3.736 2.557 527 H VAL 67 H VAL 67 5.437 -2.576 7.491 528 HA VAL 67 HA VAL 67 8.061 -2.298 8.784 529 HB VAL 67 HB VAL 67 6.841 -1.301 10.693 530 1HG1 VAL 67 1HG1 VAL 67 6.348 0.008 8.021 531 2HG1 VAL 67 2HG1 VAL 67 7.806 0.144 9.005 532 3HG1 VAL 67 3HG1 VAL 67 6.285 0.823 9.583 533 1HG2 VAL 67 1HG2 VAL 67 4.680 -2.395 10.371 534 2HG2 VAL 67 2HG2 VAL 67 4.433 -1.488 8.879 535 3HG2 VAL 67 3HG2 VAL 67 4.500 -0.642 10.424 536 H GLU 68 H GLU 68 6.406 -4.702 8.011 537 HA GLU 68 HA GLU 68 5.952 -6.796 8.731 538 1HB GLU 68 2HB GLU 68 8.059 -6.142 10.799 539 2HB GLU 68 1HB GLU 68 7.507 -7.755 10.367 540 1HG GLU 68 2HG GLU 68 8.327 -7.371 8.065 541 2HG GLU 68 1HG GLU 68 8.978 -5.820 8.594 Start of MODEL 2 1 1H MET 1 1HT MET 1 -7.692 26.864 -2.673 2 2H MET 1 2HT MET 1 -9.027 26.027 -2.047 3 3H MET 1 3HT MET 1 -7.930 25.233 -3.063 4 HA MET 1 HA MET 1 -6.185 25.453 -1.458 5 1HB MET 1 2HB MET 1 -8.327 26.803 0.189 6 2HB MET 1 1HB MET 1 -6.827 26.193 0.869 7 1HG MET 1 2HG MET 1 -6.592 28.535 0.519 8 2HG MET 1 1HG MET 1 -5.585 27.700 -0.665 9 1HE MET 1 1HE MET 1 -6.674 30.823 -2.711 10 2HE MET 1 2HE MET 1 -5.328 29.856 -2.105 11 3HE MET 1 3HE MET 1 -6.318 30.789 -0.983 12 H PHE 2 H PHE 2 -9.347 24.995 0.136 13 HA PHE 2 HA PHE 2 -8.614 22.164 0.493 14 1HB PHE 2 2HB PHE 2 -10.344 23.962 2.203 15 2HB PHE 2 1HB PHE 2 -10.167 22.226 2.457 16 HD1 PHE 2 HD1 PHE 2 -8.594 25.493 2.800 17 HD2 PHE 2 HD2 PHE 2 -8.045 21.293 3.227 18 HE1 PHE 2 HE1 PHE 2 -6.579 25.896 4.156 19 HE2 PHE 2 HE2 PHE 2 -6.034 21.691 4.586 20 HZ PHE 2 HZ PHE 2 -5.298 23.992 5.050 21 H ARG 3 H ARG 3 -10.955 21.040 1.157 22 HA ARG 3 HA ARG 3 -12.826 20.096 0.286 23 1HB ARG 3 2HB ARG 3 -13.147 22.862 -0.880 24 2HB ARG 3 1HB ARG 3 -14.323 21.585 -1.144 25 1HG ARG 3 2HG ARG 3 -14.681 21.430 1.277 26 2HG ARG 3 1HG ARG 3 -13.527 22.743 1.520 27 1HD ARG 3 2HD ARG 3 -15.893 23.494 1.556 28 2HD ARG 3 1HD ARG 3 -14.931 24.273 0.300 29 HE ARG 3 HE ARG 3 -16.076 22.113 -0.931 30 1HH1 ARG 3 1HH1 ARG 3 -17.315 24.865 0.837 31 2HH1 ARG 3 2HH1 ARG 3 -18.791 24.953 -0.082 32 1HH2 ARG 3 1HH2 ARG 3 -17.981 22.235 -2.159 33 2HH2 ARG 3 2HH2 ARG 3 -19.160 23.470 -1.802 34 H GLU 4 H GLU 4 -10.431 19.529 -0.939 35 HA GLU 4 HA GLU 4 -10.405 19.882 -3.725 36 1HB GLU 4 2HB GLU 4 -8.951 17.757 -3.692 37 2HB GLU 4 1HB GLU 4 -8.360 19.181 -2.854 38 1HG GLU 4 2HG GLU 4 -9.881 17.091 -1.361 39 2HG GLU 4 1HG GLU 4 -8.175 16.855 -1.738 40 H GLU 5 H GLU 5 -11.254 18.802 -5.378 41 HA GLU 5 HA GLU 5 -13.772 17.682 -5.037 42 1HB GLU 5 2HB GLU 5 -12.754 18.819 -7.075 43 2HB GLU 5 1HB GLU 5 -12.025 17.265 -7.451 44 1HG GLU 5 2HG GLU 5 -14.120 16.254 -7.813 45 2HG GLU 5 1HG GLU 5 -14.981 17.606 -7.073 46 H SER 6 H SER 6 -14.348 15.806 -4.295 47 HA SER 6 HA SER 6 -14.459 13.653 -3.687 48 1HB SER 6 2HB SER 6 -13.796 11.945 -5.328 49 2HB SER 6 1HB SER 6 -14.675 13.271 -6.085 50 HG SER 6 HG SER 6 -12.227 14.005 -6.297 51 H ARG 7 H ARG 7 -11.893 15.296 -3.120 52 HA ARG 7 HA ARG 7 -10.063 15.080 -1.820 53 1HB ARG 7 2HB ARG 7 -11.140 12.313 -1.311 54 2HB ARG 7 1HB ARG 7 -9.738 12.984 -0.494 55 1HG ARG 7 2HG ARG 7 -11.242 14.857 0.285 56 2HG ARG 7 1HG ARG 7 -12.595 13.887 -0.306 57 1HD ARG 7 2HD ARG 7 -11.873 12.037 1.146 58 2HD ARG 7 1HD ARG 7 -10.559 13.042 1.753 59 HE ARG 7 HE ARG 7 -13.429 13.490 2.244 60 1HH1 ARG 7 1HH1 ARG 7 -10.072 14.086 3.045 61 2HH1 ARG 7 2HH1 ARG 7 -10.426 14.848 4.564 62 1HH2 ARG 7 1HH2 ARG 7 -13.903 14.486 4.256 63 2HH2 ARG 7 2HH2 ARG 7 -12.605 15.089 5.250 64 H SER 8 H SER 8 -10.453 12.021 -3.568 65 HA SER 8 HA SER 8 -9.090 10.800 -4.880 66 1HB SER 8 2HB SER 8 -7.338 13.266 -4.986 67 2HB SER 8 1HB SER 8 -7.205 11.860 -6.046 68 HG SER 8 HG SER 8 -9.454 12.329 -6.636 69 H VAL 9 H VAL 9 -8.679 11.359 -1.920 70 HA VAL 9 HA VAL 9 -6.448 9.536 -1.615 71 HB VAL 9 HB VAL 9 -5.561 10.956 0.339 72 1HG1 VAL 9 1HG1 VAL 9 -5.142 11.958 -2.477 73 2HG1 VAL 9 2HG1 VAL 9 -4.315 10.589 -1.733 74 3HG1 VAL 9 3HG1 VAL 9 -4.060 12.218 -1.109 75 1HG2 VAL 9 1HG2 VAL 9 -5.858 13.364 0.154 76 2HG2 VAL 9 2HG2 VAL 9 -7.410 12.568 0.408 77 3HG2 VAL 9 3HG2 VAL 9 -6.964 13.143 -1.198 78 HA PRO 10 HA PRO 10 -9.737 8.428 1.290 79 1HB PRO 10 2HB PRO 10 -9.479 5.772 1.068 80 2HB PRO 10 1HB PRO 10 -10.286 6.736 -0.174 81 1HG PRO 10 2HG PRO 10 -7.542 5.567 -0.164 82 2HG PRO 10 1HG PRO 10 -8.692 5.729 -1.503 83 1HD PRO 10 2HD PRO 10 -6.541 7.425 -1.014 84 2HD PRO 10 1HD PRO 10 -7.949 7.816 -2.020 85 H VAL 11 H VAL 11 -6.362 7.852 1.312 86 HA VAL 11 HA VAL 11 -6.482 6.874 4.087 87 HB VAL 11 HB VAL 11 -4.160 6.018 3.726 88 1HG1 VAL 11 1HG1 VAL 11 -4.846 4.038 2.441 89 2HG1 VAL 11 2HG1 VAL 11 -6.288 4.898 1.901 90 3HG1 VAL 11 3HG1 VAL 11 -6.076 4.518 3.610 91 1HG2 VAL 11 1HG2 VAL 11 -4.751 6.645 0.837 92 2HG2 VAL 11 2HG2 VAL 11 -3.369 5.725 1.426 93 3HG2 VAL 11 3HG2 VAL 11 -3.535 7.429 1.843 94 H GLU 12 H GLU 12 -5.000 7.727 5.591 95 HA GLU 12 HA GLU 12 -4.304 10.502 5.049 96 1HB GLU 12 2HB GLU 12 -4.220 8.942 7.639 97 2HB GLU 12 1HB GLU 12 -3.955 10.671 7.472 98 1HG GLU 12 2HG GLU 12 -6.515 9.208 6.884 99 2HG GLU 12 1HG GLU 12 -6.179 10.202 8.301 100 H GLU 13 H GLU 13 -2.218 11.344 5.362 101 HA GLU 13 HA GLU 13 -0.073 9.590 4.734 102 1HB GLU 13 2HB GLU 13 0.018 12.456 5.685 103 2HB GLU 13 1HB GLU 13 1.361 11.569 4.971 104 1HG GLU 13 2HG GLU 13 -0.075 11.246 2.935 105 2HG GLU 13 1HG GLU 13 -1.211 12.385 3.654 106 H GLY 14 H GLY 14 0.701 8.170 6.089 107 1HA GLY 14 2HA GLY 14 2.107 7.696 7.965 108 2HA GLY 14 1HA GLY 14 1.311 8.978 8.858 109 H GLU 15 H GLU 15 -0.494 6.698 6.924 110 HA GLU 15 HA GLU 15 -1.788 5.680 9.332 111 1HB GLU 15 2HB GLU 15 -2.301 5.199 6.405 112 2HB GLU 15 1HB GLU 15 -3.150 4.337 7.668 113 1HG GLU 15 2HG GLU 15 -3.149 7.327 7.503 114 2HG GLU 15 1HG GLU 15 -4.324 6.327 6.648 115 H VAL 16 H VAL 16 -2.076 3.371 9.612 116 HA VAL 16 HA VAL 16 0.044 1.708 8.461 117 HB VAL 16 HB VAL 16 -0.504 1.796 11.438 118 1HG1 VAL 16 1HG1 VAL 16 0.121 -0.407 10.628 119 2HG1 VAL 16 2HG1 VAL 16 1.415 0.288 11.603 120 3HG1 VAL 16 3HG1 VAL 16 1.549 0.267 9.846 121 1HG2 VAL 16 1HG2 VAL 16 1.892 2.824 9.914 122 2HG2 VAL 16 2HG2 VAL 16 1.766 2.715 11.669 123 3HG2 VAL 16 3HG2 VAL 16 0.704 3.801 10.776 124 H TYR 17 H TYR 17 -0.989 0.033 7.572 125 HA TYR 17 HA TYR 17 -2.887 -1.440 9.184 126 1HB TYR 17 2HB TYR 17 -4.598 -1.487 7.351 127 2HB TYR 17 1HB TYR 17 -4.449 0.057 8.164 128 HD1 TYR 17 HD1 TYR 17 -4.062 -1.746 5.053 129 HD2 TYR 17 HD2 TYR 17 -3.467 2.011 6.966 130 HE1 TYR 17 HE1 TYR 17 -3.862 -0.659 2.864 131 HE2 TYR 17 HE2 TYR 17 -3.269 3.094 4.789 132 HH TYR 17 HH TYR 17 -4.145 1.550 1.897 133 H ASP 18 H ASP 18 -3.011 -3.593 8.645 134 HA ASP 18 HA ASP 18 -0.921 -4.520 6.871 135 1HB ASP 18 2HB ASP 18 -1.270 -6.701 7.778 136 2HB ASP 18 1HB ASP 18 -1.338 -5.566 9.118 137 H VAL 19 H VAL 19 -1.143 -5.561 5.000 138 HA VAL 19 HA VAL 19 -3.846 -5.875 3.886 139 HB VAL 19 HB VAL 19 -2.991 -4.970 1.727 140 1HG1 VAL 19 1HG1 VAL 19 -3.103 -2.600 2.367 141 2HG1 VAL 19 2HG1 VAL 19 -2.951 -3.067 4.061 142 3HG1 VAL 19 3HG1 VAL 19 -4.363 -3.569 3.129 143 1HG2 VAL 19 1HG2 VAL 19 -0.962 -3.562 1.772 144 2HG2 VAL 19 2HG2 VAL 19 -0.619 -5.269 2.064 145 3HG2 VAL 19 3HG2 VAL 19 -0.632 -4.131 3.411 146 H THR 20 H THR 20 -3.957 -7.305 2.081 147 HA THR 20 HA THR 20 -1.665 -9.124 1.820 148 HB THR 20 HB THR 20 -4.498 -9.473 0.800 149 HG1 THR 20 HG1 THR 20 -3.704 -9.599 3.263 150 1HG2 THR 20 1HG2 THR 20 -2.821 -10.732 -0.476 151 2HG2 THR 20 2HG2 THR 20 -3.845 -11.811 0.472 152 3HG2 THR 20 3HG2 THR 20 -2.211 -11.438 1.021 153 H ILE 21 H ILE 21 -0.414 -8.962 0.050 154 HA ILE 21 HA ILE 21 -0.881 -6.927 -1.869 155 HB ILE 21 HB ILE 21 1.077 -9.230 -2.005 156 1HG1 ILE 21 2HG1 ILE 21 1.433 -7.836 -0.027 157 2HG1 ILE 21 1HG1 ILE 21 2.723 -7.581 -1.194 158 1HG2 ILE 21 1HG2 ILE 21 0.681 -8.250 -4.197 159 2HG2 ILE 21 2HG2 ILE 21 2.293 -7.842 -3.614 160 3HG2 ILE 21 3HG2 ILE 21 1.003 -6.643 -3.550 161 1HD1 ILE 21 1HD1 ILE 21 2.003 -5.494 -0.169 162 2HD1 ILE 21 2HD1 ILE 21 0.366 -5.760 -0.764 163 3HD1 ILE 21 3HD1 ILE 21 1.687 -5.497 -1.903 164 H GLN 22 H GLN 22 -2.232 -6.976 -3.481 165 HA GLN 22 HA GLN 22 -3.478 -9.523 -4.173 166 1HB GLN 22 2HB GLN 22 -4.592 -7.181 -3.473 167 2HB GLN 22 1HB GLN 22 -4.526 -6.944 -5.210 168 1HG GLN 22 2HG GLN 22 -6.661 -7.811 -4.695 169 2HG GLN 22 1HG GLN 22 -5.748 -9.099 -5.478 170 1HE2 GLN 22 1HE2 GLN 22 -5.192 -8.181 -2.145 171 2HE2 GLN 22 2HE2 GLN 22 -5.855 -9.611 -1.446 172 H ASP 23 H ASP 23 -1.647 -6.891 -5.595 173 HA ASP 23 HA ASP 23 -1.483 -8.395 -8.107 174 1HB ASP 23 2HB ASP 23 -3.294 -6.781 -8.412 175 2HB ASP 23 1HB ASP 23 -2.244 -5.475 -7.888 176 H ILE 24 H ILE 24 0.253 -7.461 -9.550 177 HA ILE 24 HA ILE 24 2.400 -6.155 -8.032 178 HB ILE 24 HB ILE 24 2.764 -8.476 -9.947 179 1HG1 ILE 24 2HG1 ILE 24 1.959 -9.165 -7.718 180 2HG1 ILE 24 1HG1 ILE 24 3.595 -9.729 -8.036 181 1HG2 ILE 24 1HG2 ILE 24 4.819 -6.899 -8.409 182 2HG2 ILE 24 2HG2 ILE 24 4.553 -6.840 -10.152 183 3HG2 ILE 24 3HG2 ILE 24 5.144 -8.325 -9.399 184 1HD1 ILE 24 1HD1 ILE 24 2.835 -7.365 -6.341 185 2HD1 ILE 24 2HD1 ILE 24 4.479 -7.913 -6.663 186 3HD1 ILE 24 3HD1 ILE 24 3.368 -8.941 -5.758 187 H ALA 25 H ALA 25 3.378 -4.543 -9.159 188 HA ALA 25 HA ALA 25 2.059 -3.725 -11.589 189 1HB ALA 25 1HB ALA 25 4.311 -2.409 -10.092 190 2HB ALA 25 2HB ALA 25 2.593 -2.157 -9.793 191 3HB ALA 25 3HB ALA 25 3.298 -1.672 -11.334 192 H ARG 26 H ARG 26 4.174 -5.999 -11.293 193 HA ARG 26 HA ARG 26 5.798 -6.983 -12.521 194 1HB ARG 26 2HB ARG 26 4.000 -6.420 -14.278 195 2HB ARG 26 1HB ARG 26 5.095 -5.140 -14.781 196 1HG ARG 26 2HG ARG 26 5.456 -7.028 -16.191 197 2HG ARG 26 1HG ARG 26 6.854 -6.862 -15.128 198 1HD ARG 26 2HD ARG 26 5.922 -8.595 -13.659 199 2HD ARG 26 1HD ARG 26 4.548 -8.769 -14.748 200 HE ARG 26 HE ARG 26 7.011 -9.140 -16.127 201 1HH1 ARG 26 1HH1 ARG 26 4.754 -10.741 -13.982 202 2HH1 ARG 26 2HH1 ARG 26 5.227 -12.344 -14.459 203 1HH2 ARG 26 1HH2 ARG 26 7.633 -11.216 -16.773 204 2HH2 ARG 26 2HH2 ARG 26 6.874 -12.616 -16.064 205 H GLN 27 H GLN 27 7.514 -6.283 -11.377 206 HA GLN 27 HA GLN 27 9.531 -4.689 -12.321 207 1HB GLN 27 2HB GLN 27 7.882 -2.817 -12.238 208 2HB GLN 27 1HB GLN 27 7.718 -3.070 -10.506 209 1HG GLN 27 2HG GLN 27 10.024 -2.457 -10.159 210 2HG GLN 27 1HG GLN 27 10.281 -2.323 -11.896 211 1HE2 GLN 27 1HE2 GLN 27 8.840 -0.863 -9.080 212 2HE2 GLN 27 2HE2 GLN 27 8.544 0.683 -9.808 213 H GLY 28 H GLY 28 7.658 -5.913 -9.708 214 1HA GLY 28 2HA GLY 28 8.883 -7.419 -8.180 215 2HA GLY 28 1HA GLY 28 10.104 -6.160 -8.065 216 H ASP 29 H ASP 29 7.533 -4.348 -8.183 217 HA ASP 29 HA ASP 29 7.262 -4.269 -5.274 218 1HB ASP 29 2HB ASP 29 6.464 -2.196 -7.327 219 2HB ASP 29 1HB ASP 29 6.432 -1.992 -5.578 220 H GLY 30 H GLY 30 5.283 -4.269 -4.254 221 1HA GLY 30 2HA GLY 30 3.239 -5.712 -5.736 222 2HA GLY 30 1HA GLY 30 3.329 -5.528 -3.992 223 H ILE 31 H ILE 31 1.072 -5.168 -5.779 224 HA ILE 31 HA ILE 31 0.547 -2.301 -5.383 225 HB ILE 31 HB ILE 31 -0.729 -4.245 -7.313 226 1HG1 ILE 31 2HG1 ILE 31 1.482 -3.464 -8.011 227 2HG1 ILE 31 1HG1 ILE 31 0.234 -2.755 -9.030 228 1HG2 ILE 31 1HG2 ILE 31 -2.407 -2.707 -6.447 229 2HG2 ILE 31 2HG2 ILE 31 -2.036 -2.340 -8.131 230 3HG2 ILE 31 3HG2 ILE 31 -1.373 -1.334 -6.844 231 1HD1 ILE 31 1HD1 ILE 31 1.639 -1.390 -6.751 232 2HD1 ILE 31 2HD1 ILE 31 0.376 -0.679 -7.755 233 3HD1 ILE 31 3HD1 ILE 31 1.926 -1.119 -8.470 234 H ALA 32 H ALA 32 -0.597 -1.895 -3.656 235 HA ALA 32 HA ALA 32 -2.898 -3.637 -3.046 236 1HB ALA 32 1HB ALA 32 -1.191 -3.654 -1.253 237 2HB ALA 32 2HB ALA 32 -2.720 -2.957 -0.717 238 3HB ALA 32 3HB ALA 32 -1.357 -1.905 -1.102 239 H ARG 33 H ARG 33 -4.574 -2.633 -4.001 240 HA ARG 33 HA ARG 33 -4.688 0.296 -3.851 241 1HB ARG 33 2HB ARG 33 -6.413 -0.016 -5.747 242 2HB ARG 33 1HB ARG 33 -4.707 -0.224 -6.120 243 1HG ARG 33 2HG ARG 33 -4.933 -2.615 -6.073 244 2HG ARG 33 1HG ARG 33 -6.607 -2.484 -5.529 245 1HD ARG 33 2HD ARG 33 -7.295 -1.554 -7.598 246 2HD ARG 33 1HD ARG 33 -5.628 -1.321 -8.123 247 HE ARG 33 HE ARG 33 -5.462 -3.595 -8.605 248 1HH1 ARG 33 1HH1 ARG 33 -8.607 -2.795 -7.266 249 2HH1 ARG 33 2HH1 ARG 33 -9.335 -4.290 -7.765 250 1HH2 ARG 33 1HH2 ARG 33 -6.421 -5.557 -9.259 251 2HH2 ARG 33 2HH2 ARG 33 -8.094 -5.868 -8.896 252 H ILE 34 H ILE 34 -5.973 1.053 -2.351 253 HA ILE 34 HA ILE 34 -8.349 -0.484 -1.583 254 HB ILE 34 HB ILE 34 -6.968 1.824 -0.204 255 1HG1 ILE 34 2HG1 ILE 34 -7.366 -1.086 0.521 256 2HG1 ILE 34 1HG1 ILE 34 -5.847 -0.308 0.091 257 1HG2 ILE 34 1HG2 ILE 34 -9.365 2.083 0.081 258 2HG2 ILE 34 2HG2 ILE 34 -8.633 1.544 1.594 259 3HG2 ILE 34 3HG2 ILE 34 -9.508 0.398 0.581 260 1HD1 ILE 34 1HD1 ILE 34 -7.499 0.302 2.535 261 2HD1 ILE 34 2HD1 ILE 34 -5.953 1.040 2.117 262 3HD1 ILE 34 3HD1 ILE 34 -6.035 -0.681 2.497 263 H GLU 35 H GLU 35 -10.194 0.027 -2.434 264 HA GLU 35 HA GLU 35 -11.915 1.134 -3.413 265 1HB GLU 35 2HB GLU 35 -10.639 3.593 -2.198 266 2HB GLU 35 1HB GLU 35 -12.278 3.492 -2.828 267 1HG GLU 35 2HG GLU 35 -12.678 1.673 -1.126 268 2HG GLU 35 1HG GLU 35 -11.135 2.133 -0.411 269 H GLY 36 H GLY 36 -9.321 0.773 -4.787 270 1HA GLY 36 2HA GLY 36 -8.967 1.080 -7.108 271 2HA GLY 36 1HA GLY 36 -9.878 2.581 -7.023 272 H PHE 37 H PHE 37 -8.241 3.171 -4.500 273 HA PHE 37 HA PHE 37 -6.294 4.783 -5.816 274 1HB PHE 37 2HB PHE 37 -7.491 5.429 -3.721 275 2HB PHE 37 1HB PHE 37 -6.591 4.185 -2.865 276 HD1 PHE 37 HD1 PHE 37 -5.990 7.126 -5.062 277 HD2 PHE 37 HD2 PHE 37 -4.698 4.810 -1.739 278 HE1 PHE 37 HE1 PHE 37 -4.210 8.764 -4.617 279 HE2 PHE 37 HE2 PHE 37 -2.916 6.440 -1.288 280 HZ PHE 37 HZ PHE 37 -2.671 8.421 -2.725 281 H VAL 38 H VAL 38 -4.511 3.926 -6.657 282 HA VAL 38 HA VAL 38 -3.516 1.375 -5.818 283 HB VAL 38 HB VAL 38 -2.318 3.335 -7.783 284 1HG1 VAL 38 1HG1 VAL 38 -0.675 1.733 -7.042 285 2HG1 VAL 38 2HG1 VAL 38 -1.164 1.362 -8.697 286 3HG1 VAL 38 3HG1 VAL 38 -1.787 0.401 -7.355 287 1HG2 VAL 38 1HG2 VAL 38 -4.557 2.709 -8.458 288 2HG2 VAL 38 2HG2 VAL 38 -4.167 1.000 -8.251 289 3HG2 VAL 38 3HG2 VAL 38 -3.368 1.942 -9.509 290 H ILE 39 H ILE 39 -2.085 0.993 -4.274 291 HA ILE 39 HA ILE 39 -0.181 3.125 -3.575 292 HB ILE 39 HB ILE 39 -1.281 0.965 -1.769 293 1HG1 ILE 39 2HG1 ILE 39 -1.823 3.944 -1.805 294 2HG1 ILE 39 1HG1 ILE 39 -2.932 2.709 -2.389 295 1HG2 ILE 39 1HG2 ILE 39 -0.133 2.181 0.023 296 2HG2 ILE 39 2HG2 ILE 39 0.538 3.295 -1.171 297 3HG2 ILE 39 3HG2 ILE 39 0.997 1.592 -1.194 298 1HD1 ILE 39 1HD1 ILE 39 -3.131 1.803 -0.161 299 2HD1 ILE 39 2HD1 ILE 39 -3.520 3.525 -0.169 300 3HD1 ILE 39 3HD1 ILE 39 -1.958 2.975 0.439 301 H PHE 40 H PHE 40 1.918 2.653 -3.745 302 HA PHE 40 HA PHE 40 2.642 0.009 -4.744 303 1HB PHE 40 2HB PHE 40 4.132 2.636 -4.650 304 2HB PHE 40 1HB PHE 40 4.860 1.134 -5.206 305 HD1 PHE 40 HD1 PHE 40 2.169 3.584 -5.910 306 HD2 PHE 40 HD2 PHE 40 4.523 0.359 -7.388 307 HE1 PHE 40 HE1 PHE 40 1.323 4.009 -8.182 308 HE2 PHE 40 HE2 PHE 40 3.679 0.777 -9.659 309 HZ PHE 40 HZ PHE 40 2.078 2.606 -10.059 310 H VAL 41 H VAL 41 3.517 -1.472 -3.474 311 HA VAL 41 HA VAL 41 4.913 -0.580 -1.034 312 HB VAL 41 HB VAL 41 3.787 -3.332 -1.583 313 1HG1 VAL 41 1HG1 VAL 41 4.851 -2.088 0.950 314 2HG1 VAL 41 2HG1 VAL 41 5.659 -3.314 -0.026 315 3HG1 VAL 41 3HG1 VAL 41 4.155 -3.701 0.805 316 1HG2 VAL 41 1HG2 VAL 41 2.009 -2.752 0.012 317 2HG2 VAL 41 2HG2 VAL 41 1.970 -1.719 -1.420 318 3HG2 VAL 41 3HG2 VAL 41 2.633 -1.103 0.095 319 HA PRO 42 HA PRO 42 8.477 -1.597 -3.539 320 1HB PRO 42 2HB PRO 42 10.273 -1.242 -1.453 321 2HB PRO 42 1HB PRO 42 9.706 0.026 -2.543 322 1HG PRO 42 2HG PRO 42 8.788 -0.660 0.214 323 2HG PRO 42 1HG PRO 42 8.972 0.932 -0.547 324 1HD PRO 42 2HD PRO 42 6.563 -0.208 -0.235 325 2HD PRO 42 1HD PRO 42 6.952 0.774 -1.662 326 H GLY 43 H GLY 43 8.868 -3.628 -4.034 327 1HA GLY 43 2HA GLY 43 9.674 -5.767 -3.902 328 2HA GLY 43 1HA GLY 43 10.439 -5.294 -2.397 329 H THR 44 H THR 44 7.308 -6.321 -3.741 330 HA THR 44 HA THR 44 7.008 -8.088 -1.443 331 HB THR 44 HB THR 44 4.466 -7.414 -1.514 332 HG1 THR 44 HG1 THR 44 5.726 -4.957 -2.209 333 1HG2 THR 44 1HG2 THR 44 5.885 -7.279 0.467 334 2HG2 THR 44 2HG2 THR 44 4.851 -5.856 0.342 335 3HG2 THR 44 3HG2 THR 44 6.554 -5.749 -0.103 336 H LYS 45 H LYS 45 5.278 -9.705 -1.776 337 HA LYS 45 HA LYS 45 5.014 -10.362 -4.646 338 1HB LYS 45 2HB LYS 45 6.628 -11.726 -3.164 339 2HB LYS 45 1HB LYS 45 5.182 -12.374 -2.407 340 1HG LYS 45 2HG LYS 45 5.916 -13.922 -4.053 341 2HG LYS 45 1HG LYS 45 4.441 -13.156 -4.650 342 1HD LYS 45 2HD LYS 45 5.656 -11.778 -6.149 343 2HD LYS 45 1HD LYS 45 7.193 -12.187 -5.383 344 1HE LYS 45 2HE LYS 45 5.421 -14.066 -6.939 345 2HE LYS 45 1HE LYS 45 6.949 -13.374 -7.490 346 1HZ LYS 45 1HZ LYS 45 6.542 -15.293 -5.261 347 2HZ LYS 45 2HZ LYS 45 8.010 -14.491 -5.554 348 3HZ LYS 45 3HZ LYS 45 7.384 -15.559 -6.710 349 H VAL 46 H VAL 46 3.044 -11.436 -5.272 350 HA VAL 46 HA VAL 46 0.713 -10.631 -3.924 351 HB VAL 46 HB VAL 46 1.004 -12.924 -5.883 352 1HG1 VAL 46 1HG1 VAL 46 -1.389 -12.666 -6.275 353 2HG1 VAL 46 2HG1 VAL 46 -1.469 -11.401 -5.049 354 3HG1 VAL 46 3HG1 VAL 46 -1.077 -13.058 -4.584 355 1HG2 VAL 46 1HG2 VAL 46 0.226 -11.319 -7.552 356 2HG2 VAL 46 2HG2 VAL 46 1.746 -10.810 -6.819 357 3HG2 VAL 46 3HG2 VAL 46 0.233 -10.045 -6.332 358 H GLY 47 H GLY 47 -0.320 -11.430 -2.217 359 1HA GLY 47 2HA GLY 47 -1.132 -13.251 -0.882 360 2HA GLY 47 1HA GLY 47 0.269 -14.190 -1.378 361 H ASP 48 H ASP 48 1.614 -11.329 -0.852 362 HA ASP 48 HA ASP 48 2.587 -11.962 1.744 363 1HB ASP 48 2HB ASP 48 2.991 -9.748 -0.184 364 2HB ASP 48 1HB ASP 48 3.275 -9.361 1.508 365 H GLU 49 H GLU 49 1.229 -11.951 3.399 366 HA GLU 49 HA GLU 49 -0.661 -9.778 3.777 367 1HB GLU 49 2HB GLU 49 0.033 -12.083 5.617 368 2HB GLU 49 1HB GLU 49 -1.334 -10.992 5.791 369 1HG GLU 49 2HG GLU 49 -2.261 -11.831 3.683 370 2HG GLU 49 1HG GLU 49 -0.901 -12.946 3.543 371 H VAL 50 H VAL 50 0.423 -7.907 4.238 372 HA VAL 50 HA VAL 50 2.430 -8.011 6.382 373 HB VAL 50 HB VAL 50 3.898 -6.470 5.072 374 1HG1 VAL 50 1HG1 VAL 50 3.395 -9.183 3.852 375 2HG1 VAL 50 2HG1 VAL 50 4.424 -8.838 5.243 376 3HG1 VAL 50 3HG1 VAL 50 4.860 -8.222 3.649 377 1HG2 VAL 50 1HG2 VAL 50 2.265 -5.629 3.481 378 2HG2 VAL 50 2HG2 VAL 50 2.069 -7.244 2.798 379 3HG2 VAL 50 3HG2 VAL 50 3.605 -6.395 2.628 380 H ARG 51 H ARG 51 2.733 -6.201 7.581 381 HA ARG 51 HA ARG 51 0.654 -4.212 7.603 382 1HB ARG 51 2HB ARG 51 2.605 -5.194 9.414 383 2HB ARG 51 1HB ARG 51 2.913 -3.478 9.201 384 1HG ARG 51 2HG ARG 51 0.318 -3.316 9.610 385 2HG ARG 51 1HG ARG 51 0.600 -4.858 10.426 386 1HD ARG 51 2HD ARG 51 1.724 -2.152 11.059 387 2HD ARG 51 1HD ARG 51 0.895 -3.285 12.126 388 HE ARG 51 HE ARG 51 3.201 -4.572 11.316 389 1HH1 ARG 51 1HH1 ARG 51 2.377 -1.671 13.122 390 2HH1 ARG 51 2HH1 ARG 51 3.895 -1.618 13.970 391 1HH2 ARG 51 1HH2 ARG 51 5.181 -4.512 12.429 392 2HH2 ARG 51 2HH2 ARG 51 5.480 -3.251 13.591 393 H ILE 52 H ILE 52 0.704 -2.431 6.345 394 HA ILE 52 HA ILE 52 3.370 -1.432 5.595 395 HB ILE 52 HB ILE 52 2.321 -0.445 3.574 396 1HG1 ILE 52 2HG1 ILE 52 0.104 -1.838 2.985 397 2HG1 ILE 52 1HG1 ILE 52 -0.090 -1.749 4.730 398 1HG2 ILE 52 1HG2 ILE 52 3.556 -2.537 3.461 399 2HG2 ILE 52 2HG2 ILE 52 2.215 -2.537 2.316 400 3HG2 ILE 52 3HG2 ILE 52 2.084 -3.437 3.827 401 1HD1 ILE 52 1HD1 ILE 52 -1.269 0.048 3.622 402 2HD1 ILE 52 2HD1 ILE 52 0.231 0.590 2.868 403 3HD1 ILE 52 3HD1 ILE 52 0.040 0.678 4.619 404 H LYS 53 H LYS 53 3.832 0.681 5.892 405 HA LYS 53 HA LYS 53 1.728 2.295 7.144 406 1HB LYS 53 2HB LYS 53 3.909 2.153 8.358 407 2HB LYS 53 1HB LYS 53 4.686 2.930 6.980 408 1HG LYS 53 2HG LYS 53 3.047 4.830 7.295 409 2HG LYS 53 1HG LYS 53 2.615 4.083 8.828 410 1HD LYS 53 2HD LYS 53 5.001 4.250 9.507 411 2HD LYS 53 1HD LYS 53 5.314 5.140 8.016 412 1HE LYS 53 2HE LYS 53 3.600 6.794 8.716 413 2HE LYS 53 1HE LYS 53 3.470 5.946 10.255 414 1HZ LYS 53 1HZ LYS 53 4.937 7.820 10.468 415 2HZ LYS 53 2HZ LYS 53 5.899 7.280 9.178 416 3HZ LYS 53 3HZ LYS 53 5.841 6.392 10.625 417 H VAL 54 H VAL 54 0.622 3.472 5.804 418 HA VAL 54 HA VAL 54 1.524 4.325 3.244 419 HB VAL 54 HB VAL 54 -0.828 5.093 4.978 420 1HG1 VAL 54 1HG1 VAL 54 -0.287 6.029 2.166 421 2HG1 VAL 54 2HG1 VAL 54 -0.245 7.036 3.613 422 3HG1 VAL 54 3HG1 VAL 54 -1.761 6.297 3.098 423 1HG2 VAL 54 1HG2 VAL 54 -0.598 3.545 2.408 424 2HG2 VAL 54 2HG2 VAL 54 -2.097 3.897 3.270 425 3HG2 VAL 54 3HG2 VAL 54 -0.871 2.869 4.012 426 H GLU 55 H GLU 55 3.277 5.605 3.215 427 HA GLU 55 HA GLU 55 3.767 7.397 5.444 428 1HB GLU 55 2HB GLU 55 5.478 6.600 3.090 429 2HB GLU 55 1HB GLU 55 6.009 7.637 4.400 430 1HG GLU 55 2HG GLU 55 5.552 5.763 5.974 431 2HG GLU 55 1HG GLU 55 5.234 4.743 4.570 432 H ARG 56 H ARG 56 3.146 7.597 1.988 433 HA ARG 56 HA ARG 56 2.755 10.476 2.215 434 1HB ARG 56 2HB ARG 56 5.245 9.657 1.544 435 2HB ARG 56 1HB ARG 56 4.501 9.655 -0.045 436 1HG ARG 56 2HG ARG 56 4.509 12.028 1.802 437 2HG ARG 56 1HG ARG 56 5.718 11.745 0.552 438 1HD ARG 56 2HD ARG 56 3.736 11.629 -1.066 439 2HD ARG 56 1HD ARG 56 2.793 12.348 0.241 440 HE ARG 56 HE ARG 56 5.219 13.776 -0.338 441 1HH1 ARG 56 1HH1 ARG 56 1.825 13.445 -1.168 442 2HH1 ARG 56 2HH1 ARG 56 1.733 15.012 -1.910 443 1HH2 ARG 56 1HH2 ARG 56 5.102 15.814 -1.344 444 2HH2 ARG 56 2HH2 ARG 56 3.592 16.354 -2.022 445 H VAL 57 H VAL 57 1.096 11.096 0.908 446 HA VAL 57 HA VAL 57 0.193 9.095 -1.054 447 HB VAL 57 HB VAL 57 -2.084 9.899 -0.759 448 1HG1 VAL 57 1HG1 VAL 57 -1.286 8.094 0.675 449 2HG1 VAL 57 2HG1 VAL 57 -2.483 9.088 1.503 450 3HG1 VAL 57 3HG1 VAL 57 -0.771 9.273 1.882 451 1HG2 VAL 57 1HG2 VAL 57 -0.954 11.750 1.343 452 2HG2 VAL 57 2HG2 VAL 57 -2.666 11.507 0.993 453 3HG2 VAL 57 3HG2 VAL 57 -1.612 12.236 -0.219 454 H LEU 58 H LEU 58 -0.172 9.654 -3.093 455 HA LEU 58 HA LEU 58 -0.179 12.513 -3.814 456 1HB LEU 58 2HB LEU 58 0.812 10.102 -5.347 457 2HB LEU 58 1HB LEU 58 0.443 11.614 -6.141 458 HG LEU 58 HG LEU 58 2.797 11.509 -5.847 459 1HD1 LEU 58 1HD1 LEU 58 1.620 13.343 -3.768 460 2HD1 LEU 58 2HD1 LEU 58 1.820 13.692 -5.485 461 3HD1 LEU 58 3HD1 LEU 58 3.239 13.473 -4.462 462 1HD2 LEU 58 1HD2 LEU 58 2.284 10.975 -2.924 463 2HD2 LEU 58 2HD2 LEU 58 3.864 11.249 -3.655 464 3HD2 LEU 58 3HD2 LEU 58 2.921 9.829 -4.103 465 HA PRO 59 HA PRO 59 -4.356 12.117 -5.096 466 1HB PRO 59 2HB PRO 59 -3.595 13.216 -7.754 467 2HB PRO 59 1HB PRO 59 -4.818 13.777 -6.609 468 1HG PRO 59 2HG PRO 59 -2.525 15.090 -6.878 469 2HG PRO 59 1HG PRO 59 -3.260 14.871 -5.278 470 1HD PRO 59 2HD PRO 59 -0.939 13.444 -6.511 471 2HD PRO 59 1HD PRO 59 -1.179 13.970 -4.830 472 H LYS 60 H LYS 60 -1.899 10.701 -7.113 473 HA LYS 60 HA LYS 60 -3.927 9.104 -8.515 474 1HB LYS 60 2HB LYS 60 -1.024 9.597 -9.166 475 2HB LYS 60 1HB LYS 60 -2.066 8.505 -10.063 476 1HG LYS 60 2HG LYS 60 -3.519 10.373 -10.660 477 2HG LYS 60 1HG LYS 60 -2.472 11.473 -9.760 478 1HD LYS 60 2HD LYS 60 -0.628 10.991 -11.236 479 2HD LYS 60 1HD LYS 60 -1.577 9.767 -12.078 480 1HE LYS 60 2HE LYS 60 -3.161 11.523 -12.778 481 2HE LYS 60 1HE LYS 60 -2.137 12.729 -11.998 482 1HZ LYS 60 1HZ LYS 60 -1.784 12.489 -14.431 483 2HZ LYS 60 2HZ LYS 60 -1.201 10.921 -14.159 484 3HZ LYS 60 3HZ LYS 60 -0.381 12.255 -13.511 485 H PHE 61 H PHE 61 -1.378 8.860 -6.175 486 HA PHE 61 HA PHE 61 -1.812 6.096 -5.701 487 1HB PHE 61 2HB PHE 61 0.333 5.202 -6.462 488 2HB PHE 61 1HB PHE 61 -0.560 5.875 -7.821 489 HD1 PHE 61 HD1 PHE 61 2.444 6.065 -5.818 490 HD2 PHE 61 HD2 PHE 61 0.140 8.045 -8.800 491 HE1 PHE 61 HE1 PHE 61 4.396 7.435 -6.409 492 HE2 PHE 61 HE2 PHE 61 2.091 9.423 -9.394 493 HZ PHE 61 HZ PHE 61 4.225 9.115 -8.197 494 H ALA 62 H ALA 62 -0.219 5.233 -4.070 495 HA ALA 62 HA ALA 62 1.012 7.438 -2.548 496 1HB ALA 62 1HB ALA 62 0.198 6.495 -0.467 497 2HB ALA 62 2HB ALA 62 -0.606 5.197 -1.350 498 3HB ALA 62 3HB ALA 62 -1.147 6.864 -1.544 499 H PHE 63 H PHE 63 2.650 6.823 -1.063 500 HA PHE 63 HA PHE 63 4.049 4.343 -1.796 501 1HB PHE 63 2HB PHE 63 5.072 6.860 -0.456 502 2HB PHE 63 1HB PHE 63 6.041 5.421 -0.744 503 HD1 PHE 63 HD1 PHE 63 6.454 4.706 -3.125 504 HD2 PHE 63 HD2 PHE 63 4.812 8.498 -2.094 505 HE1 PHE 63 HE1 PHE 63 7.100 5.581 -5.330 506 HE2 PHE 63 HE2 PHE 63 5.451 9.378 -4.304 507 HZ PHE 63 HZ PHE 63 6.596 7.918 -5.923 508 H ALA 64 H ALA 64 4.154 2.745 -0.335 509 HA ALA 64 HA ALA 64 3.892 3.403 2.506 510 1HB ALA 64 1HB ALA 64 2.223 1.292 1.131 511 2HB ALA 64 2HB ALA 64 1.631 2.840 1.736 512 3HB ALA 64 3HB ALA 64 2.251 1.631 2.861 513 H SER 65 H SER 65 5.362 2.356 3.670 514 HA SER 65 HA SER 65 6.830 0.179 2.368 515 1HB SER 65 2HB SER 65 8.068 2.215 3.207 516 2HB SER 65 1HB SER 65 7.633 1.722 4.843 517 HG SER 65 HG SER 65 9.331 0.493 4.759 518 H VAL 66 H VAL 66 7.191 -1.788 3.418 519 HA VAL 66 HA VAL 66 5.111 -2.528 5.280 520 HB VAL 66 HB VAL 66 5.542 -4.094 3.518 521 1HG1 VAL 66 1HG1 VAL 66 8.385 -4.242 4.514 522 2HG1 VAL 66 2HG1 VAL 66 7.847 -3.501 3.006 523 3HG1 VAL 66 3HG1 VAL 66 7.685 -5.243 3.239 524 1HG2 VAL 66 1HG2 VAL 66 4.899 -5.091 5.621 525 2HG2 VAL 66 2HG2 VAL 66 6.581 -5.152 6.140 526 3HG2 VAL 66 3HG2 VAL 66 6.042 -6.143 4.788 527 H VAL 67 H VAL 67 5.329 -2.316 7.383 528 HA VAL 67 HA VAL 67 8.017 -2.307 8.544 529 HB VAL 67 HB VAL 67 6.944 -1.308 10.562 530 1HG1 VAL 67 1HG1 VAL 67 7.984 0.134 8.908 531 2HG1 VAL 67 2HG1 VAL 67 6.542 0.906 9.568 532 3HG1 VAL 67 3HG1 VAL 67 6.494 0.166 7.969 533 1HG2 VAL 67 1HG2 VAL 67 4.653 -0.429 10.355 534 2HG2 VAL 67 2HG2 VAL 67 4.698 -2.190 10.282 535 3HG2 VAL 67 3HG2 VAL 67 4.492 -1.251 8.802 536 H GLU 68 H GLU 68 5.808 -4.412 7.881 537 HA GLU 68 HA GLU 68 5.117 -6.447 8.586 538 1HB GLU 68 2HB GLU 68 7.799 -6.410 9.968 539 2HB GLU 68 1HB GLU 68 6.850 -7.845 9.593 540 1HG GLU 68 2HG GLU 68 7.019 -7.282 7.194 541 2HG GLU 68 1HG GLU 68 8.067 -5.929 7.619 Start of MODEL 3 1 1H MET 1 1HT MET 1 -23.675 21.092 5.075 2 2H MET 1 2HT MET 1 -24.000 19.482 4.647 3 3H MET 1 3HT MET 1 -22.583 20.234 4.105 4 HA MET 1 HA MET 1 -23.241 19.623 6.926 5 1HB MET 1 2HB MET 1 -22.689 17.679 5.414 6 2HB MET 1 1HB MET 1 -21.126 18.421 5.125 7 1HG MET 1 2HG MET 1 -20.573 18.211 7.486 8 2HG MET 1 1HG MET 1 -22.159 17.501 7.798 9 1HE MET 1 1HE MET 1 -19.911 14.381 8.251 10 2HE MET 1 2HE MET 1 -21.178 15.398 8.942 11 3HE MET 1 3HE MET 1 -19.545 16.034 8.747 12 H PHE 2 H PHE 2 -20.358 20.112 4.912 13 HA PHE 2 HA PHE 2 -19.730 22.703 5.617 14 1HB PHE 2 2HB PHE 2 -19.499 21.605 7.947 15 2HB PHE 2 1HB PHE 2 -18.047 20.847 7.309 16 HD1 PHE 2 HD1 PHE 2 -19.559 23.923 8.492 17 HD2 PHE 2 HD2 PHE 2 -16.095 22.211 6.706 18 HE1 PHE 2 HE1 PHE 2 -18.283 25.954 9.033 19 HE2 PHE 2 HE2 PHE 2 -14.811 24.238 7.246 20 HZ PHE 2 HZ PHE 2 -15.908 26.115 8.409 21 H ARG 3 H ARG 3 -17.504 19.979 5.901 22 HA ARG 3 HA ARG 3 -16.924 19.677 3.163 23 1HB ARG 3 2HB ARG 3 -14.771 20.707 2.960 24 2HB ARG 3 1HB ARG 3 -15.879 21.937 3.548 25 1HG ARG 3 2HG ARG 3 -15.016 21.664 5.804 26 2HG ARG 3 1HG ARG 3 -13.935 20.385 5.247 27 1HD ARG 3 2HD ARG 3 -12.948 22.059 3.656 28 2HD ARG 3 1HD ARG 3 -13.892 23.296 4.481 29 HE ARG 3 HE ARG 3 -12.261 21.744 6.269 30 1HH1 ARG 3 1HH1 ARG 3 -12.296 24.462 4.067 31 2HH1 ARG 3 2HH1 ARG 3 -10.938 25.246 4.807 32 1HH2 ARG 3 1HH2 ARG 3 -10.476 22.789 7.262 33 2HH2 ARG 3 2HH2 ARG 3 -9.904 24.304 6.627 34 H GLU 4 H GLU 4 -17.387 18.231 5.678 35 HA GLU 4 HA GLU 4 -14.790 17.078 6.338 36 1HB GLU 4 2HB GLU 4 -16.215 17.999 8.142 37 2HB GLU 4 1HB GLU 4 -17.457 16.823 7.743 38 1HG GLU 4 2HG GLU 4 -16.193 15.041 8.558 39 2HG GLU 4 1HG GLU 4 -14.695 15.970 8.525 40 H GLU 5 H GLU 5 -14.206 15.193 5.565 41 HA GLU 5 HA GLU 5 -14.208 13.121 4.655 42 1HB GLU 5 2HB GLU 5 -17.008 13.098 5.764 43 2HB GLU 5 1HB GLU 5 -16.346 11.736 4.873 44 1HG GLU 5 2HG GLU 5 -14.512 11.602 6.524 45 2HG GLU 5 1HG GLU 5 -15.297 12.884 7.447 46 H SER 6 H SER 6 -15.920 11.690 3.144 47 HA SER 6 HA SER 6 -16.799 11.443 1.075 48 1HB SER 6 2HB SER 6 -17.595 14.353 1.357 49 2HB SER 6 1HB SER 6 -18.218 13.225 0.153 50 HG SER 6 HG SER 6 -18.412 12.319 2.745 51 H ARG 7 H ARG 7 -14.030 12.337 1.511 52 HA ARG 7 HA ARG 7 -13.538 13.815 -0.983 53 1HB ARG 7 2HB ARG 7 -11.758 13.434 1.434 54 2HB ARG 7 1HB ARG 7 -11.336 14.360 -0.005 55 1HG ARG 7 2HG ARG 7 -13.142 15.915 0.427 56 2HG ARG 7 1HG ARG 7 -13.662 14.962 1.816 57 1HD ARG 7 2HD ARG 7 -12.402 16.901 2.540 58 2HD ARG 7 1HD ARG 7 -11.519 15.422 2.916 59 HE ARG 7 HE ARG 7 -9.871 16.050 1.459 60 1HH1 ARG 7 1HH1 ARG 7 -12.653 18.137 1.035 61 2HH1 ARG 7 2HH1 ARG 7 -11.828 19.256 -0.008 62 1HH2 ARG 7 1HH2 ARG 7 -8.777 17.519 0.107 63 2HH2 ARG 7 2HH2 ARG 7 -9.615 18.889 -0.553 64 H SER 8 H SER 8 -11.654 13.145 -2.262 65 HA SER 8 HA SER 8 -11.952 10.318 -2.764 66 1HB SER 8 2HB SER 8 -10.321 12.357 -4.283 67 2HB SER 8 1HB SER 8 -10.875 10.790 -4.871 68 HG SER 8 HG SER 8 -13.019 11.546 -4.706 69 H VAL 9 H VAL 9 -10.424 10.962 -0.395 70 HA VAL 9 HA VAL 9 -7.908 9.644 -1.133 71 HB VAL 9 HB VAL 9 -6.897 10.943 0.873 72 1HG1 VAL 9 1HG1 VAL 9 -7.501 12.328 -1.741 73 2HG1 VAL 9 2HG1 VAL 9 -6.165 11.216 -1.435 74 3HG1 VAL 9 3HG1 VAL 9 -6.218 12.777 -0.615 75 1HG2 VAL 9 1HG2 VAL 9 -9.174 12.782 0.125 76 2HG2 VAL 9 2HG2 VAL 9 -7.832 13.184 1.197 77 3HG2 VAL 9 3HG2 VAL 9 -8.988 11.936 1.662 78 HA PRO 10 HA PRO 10 -9.958 6.950 1.843 79 1HB PRO 10 2HB PRO 10 -8.036 4.955 0.898 80 2HB PRO 10 1HB PRO 10 -9.799 4.949 0.794 81 1HG PRO 10 2HG PRO 10 -8.235 5.277 -1.379 82 2HG PRO 10 1HG PRO 10 -9.818 6.062 -1.223 83 1HD PRO 10 2HD PRO 10 -7.083 7.213 -0.785 84 2HD PRO 10 1HD PRO 10 -8.485 7.926 -1.611 85 H VAL 11 H VAL 11 -6.485 7.458 1.515 86 HA VAL 11 HA VAL 11 -6.157 6.551 4.296 87 HB VAL 11 HB VAL 11 -3.831 5.872 3.719 88 1HG1 VAL 11 1HG1 VAL 11 -5.991 4.467 2.152 89 2HG1 VAL 11 2HG1 VAL 11 -5.633 4.226 3.860 90 3HG1 VAL 11 3HG1 VAL 11 -4.444 3.772 2.640 91 1HG2 VAL 11 1HG2 VAL 11 -3.238 5.528 1.368 92 2HG2 VAL 11 2HG2 VAL 11 -3.532 7.233 1.713 93 3HG2 VAL 11 3HG2 VAL 11 -4.755 6.279 0.874 94 H GLU 12 H GLU 12 -4.718 7.659 5.598 95 HA GLU 12 HA GLU 12 -4.072 10.375 4.669 96 1HB GLU 12 2HB GLU 12 -4.047 9.348 7.512 97 2HB GLU 12 1HB GLU 12 -3.986 11.022 6.983 98 1HG GLU 12 2HG GLU 12 -6.321 9.145 6.734 99 2HG GLU 12 1HG GLU 12 -6.166 10.492 7.858 100 H GLU 13 H GLU 13 -2.045 11.311 5.405 101 HA GLU 13 HA GLU 13 0.189 9.686 4.863 102 1HB GLU 13 2HB GLU 13 0.142 12.385 6.227 103 2HB GLU 13 1HB GLU 13 1.528 11.638 5.446 104 1HG GLU 13 2HG GLU 13 0.894 13.030 3.783 105 2HG GLU 13 1HG GLU 13 -0.106 11.642 3.366 106 H GLY 14 H GLY 14 1.070 8.209 6.127 107 1HA GLY 14 2HA GLY 14 2.480 7.716 7.965 108 2HA GLY 14 1HA GLY 14 1.633 8.916 8.919 109 H GLU 15 H GLU 15 -0.282 6.700 7.065 110 HA GLU 15 HA GLU 15 -1.252 5.619 9.611 111 1HB GLU 15 2HB GLU 15 -2.410 5.391 6.835 112 2HB GLU 15 1HB GLU 15 -3.133 4.707 8.282 113 1HG GLU 15 2HG GLU 15 -3.122 7.097 9.185 114 2HG GLU 15 1HG GLU 15 -2.834 7.581 7.514 115 H VAL 16 H VAL 16 -1.921 3.274 9.610 116 HA VAL 16 HA VAL 16 -0.035 1.625 8.081 117 HB VAL 16 HB VAL 16 0.946 1.881 10.287 118 1HG1 VAL 16 1HG1 VAL 16 -1.657 0.807 11.365 119 2HG1 VAL 16 2HG1 VAL 16 -1.022 2.439 11.581 120 3HG1 VAL 16 3HG1 VAL 16 -0.187 1.064 12.305 121 1HG2 VAL 16 1HG2 VAL 16 1.199 -0.273 9.171 122 2HG2 VAL 16 2HG2 VAL 16 -0.278 -0.856 9.943 123 3HG2 VAL 16 3HG2 VAL 16 1.140 -0.469 10.923 124 H TYR 17 H TYR 17 -0.953 -0.054 7.114 125 HA TYR 17 HA TYR 17 -3.616 -0.909 8.026 126 1HB TYR 17 2HB TYR 17 -2.755 -0.203 5.223 127 2HB TYR 17 1HB TYR 17 -4.180 -1.182 5.551 128 HD1 TYR 17 HD1 TYR 17 -6.222 -0.173 6.043 129 HD2 TYR 17 HD2 TYR 17 -2.658 2.135 6.259 130 HE1 TYR 17 HE1 TYR 17 -7.565 1.854 6.388 131 HE2 TYR 17 HE2 TYR 17 -3.987 4.168 6.598 132 HH TYR 17 HH TYR 17 -6.105 5.054 6.459 133 H ASP 18 H ASP 18 -4.038 -3.037 7.982 134 HA ASP 18 HA ASP 18 -1.960 -4.918 7.267 135 1HB ASP 18 2HB ASP 18 -4.825 -5.328 8.178 136 2HB ASP 18 1HB ASP 18 -3.711 -6.645 7.840 137 H VAL 19 H VAL 19 -1.645 -4.745 5.052 138 HA VAL 19 HA VAL 19 -4.046 -4.883 3.362 139 HB VAL 19 HB VAL 19 -2.692 -3.930 1.557 140 1HG1 VAL 19 1HG1 VAL 19 -3.928 -2.415 2.965 141 2HG1 VAL 19 2HG1 VAL 19 -2.386 -1.679 2.528 142 3HG1 VAL 19 3HG1 VAL 19 -2.609 -2.373 4.135 143 1HG2 VAL 19 1HG2 VAL 19 -0.442 -3.044 2.038 144 2HG2 VAL 19 2HG2 VAL 19 -0.512 -4.801 2.162 145 3HG2 VAL 19 3HG2 VAL 19 -0.497 -3.815 3.623 146 H THR 20 H THR 20 -4.181 -6.268 1.647 147 HA THR 20 HA THR 20 -2.250 -8.473 1.615 148 HB THR 20 HB THR 20 -4.927 -8.284 0.217 149 HG1 THR 20 HG1 THR 20 -4.581 -9.903 2.481 150 1HG2 THR 20 1HG2 THR 20 -4.713 -10.774 0.177 151 2HG2 THR 20 2HG2 THR 20 -3.061 -10.592 0.770 152 3HG2 THR 20 3HG2 THR 20 -3.513 -9.931 -0.800 153 H ILE 21 H ILE 21 -0.732 -8.473 0.030 154 HA ILE 21 HA ILE 21 -0.831 -6.621 -2.139 155 HB ILE 21 HB ILE 21 0.899 -9.094 -1.919 156 1HG1 ILE 21 2HG1 ILE 21 1.293 -7.686 0.015 157 2HG1 ILE 21 1HG1 ILE 21 2.650 -7.534 -1.098 158 1HG2 ILE 21 1HG2 ILE 21 1.233 -6.590 -3.568 159 2HG2 ILE 21 2HG2 ILE 21 0.768 -8.179 -4.179 160 3HG2 ILE 21 3HG2 ILE 21 2.372 -7.935 -3.487 161 1HD1 ILE 21 1HD1 ILE 21 1.742 -5.414 -1.906 162 2HD1 ILE 21 2HD1 ILE 21 2.048 -5.385 -0.171 163 3HD1 ILE 21 3HD1 ILE 21 0.399 -5.564 -0.771 164 H GLN 22 H GLN 22 -2.751 -6.941 -3.207 165 HA GLN 22 HA GLN 22 -3.532 -9.561 -4.114 166 1HB GLN 22 2HB GLN 22 -4.743 -6.837 -4.630 167 2HB GLN 22 1HB GLN 22 -5.474 -8.372 -5.082 168 1HG GLN 22 2HG GLN 22 -5.647 -9.012 -2.757 169 2HG GLN 22 1HG GLN 22 -4.828 -7.531 -2.266 170 1HE2 GLN 22 1HE2 GLN 22 -7.472 -8.546 -1.574 171 2HE2 GLN 22 2HE2 GLN 22 -8.599 -7.324 -2.046 172 H ASP 23 H ASP 23 -2.070 -6.684 -5.458 173 HA ASP 23 HA ASP 23 -1.685 -8.163 -7.975 174 1HB ASP 23 2HB ASP 23 -2.516 -5.298 -7.604 175 2HB ASP 23 1HB ASP 23 -1.680 -5.821 -9.062 176 H ILE 24 H ILE 24 0.113 -7.144 -9.287 177 HA ILE 24 HA ILE 24 2.124 -5.757 -7.729 178 HB ILE 24 HB ILE 24 2.404 -8.372 -7.570 179 1HG1 ILE 24 2HG1 ILE 24 4.803 -6.759 -8.440 180 2HG1 ILE 24 1HG1 ILE 24 4.036 -6.561 -6.868 181 1HG2 ILE 24 1HG2 ILE 24 3.666 -7.850 -10.259 182 2HG2 ILE 24 2HG2 ILE 24 2.187 -8.775 -9.988 183 3HG2 ILE 24 3HG2 ILE 24 3.724 -9.359 -9.347 184 1HD1 ILE 24 1HD1 ILE 24 6.001 -7.999 -6.752 185 2HD1 ILE 24 2HD1 ILE 24 5.262 -9.108 -7.908 186 3HD1 ILE 24 3HD1 ILE 24 4.534 -8.875 -6.315 187 H ALA 25 H ALA 25 3.664 -4.713 -9.103 188 HA ALA 25 HA ALA 25 2.582 -4.366 -11.795 189 1HB ALA 25 1HB ALA 25 4.561 -2.652 -10.306 190 2HB ALA 25 2HB ALA 25 2.820 -2.377 -10.391 191 3HB ALA 25 3HB ALA 25 3.801 -2.277 -11.854 192 H ARG 26 H ARG 26 4.505 -3.639 -13.385 193 HA ARG 26 HA ARG 26 5.708 -6.170 -13.901 194 1HB ARG 26 2HB ARG 26 5.452 -3.593 -15.326 195 2HB ARG 26 1HB ARG 26 6.798 -4.623 -15.803 196 1HG ARG 26 2HG ARG 26 5.359 -6.381 -16.430 197 2HG ARG 26 1HG ARG 26 3.975 -5.633 -15.633 198 1HD ARG 26 2HD ARG 26 5.403 -4.279 -17.898 199 2HD ARG 26 1HD ARG 26 4.136 -5.472 -18.189 200 HE ARG 26 HE ARG 26 2.816 -3.889 -16.585 201 1HH1 ARG 26 1HH1 ARG 26 5.049 -2.968 -19.138 202 2HH1 ARG 26 2HH1 ARG 26 4.256 -1.446 -19.444 203 1HH2 ARG 26 1HH2 ARG 26 1.767 -1.905 -17.013 204 2HH2 ARG 26 2HH2 ARG 26 2.391 -0.855 -18.253 205 H GLN 27 H GLN 27 6.908 -3.294 -12.359 206 HA GLN 27 HA GLN 27 9.664 -4.047 -12.785 207 1HB GLN 27 2HB GLN 27 10.309 -2.134 -11.603 208 2HB GLN 27 1HB GLN 27 8.845 -1.645 -12.435 209 1HG GLN 27 2HG GLN 27 8.970 -2.493 -9.554 210 2HG GLN 27 1HG GLN 27 9.009 -0.823 -10.117 211 1HE2 GLN 27 1HE2 GLN 27 7.151 0.095 -10.966 212 2HE2 GLN 27 2HE2 GLN 27 5.591 -0.604 -10.715 213 H GLY 28 H GLY 28 7.165 -4.862 -10.622 214 1HA GLY 28 2HA GLY 28 7.377 -6.927 -9.429 215 2HA GLY 28 1HA GLY 28 9.075 -6.573 -9.182 216 H ASP 29 H ASP 29 6.900 -3.954 -8.681 217 HA ASP 29 HA ASP 29 7.230 -4.272 -5.784 218 1HB ASP 29 2HB ASP 29 6.552 -1.869 -7.479 219 2HB ASP 29 1HB ASP 29 6.383 -1.862 -5.726 220 H GLY 30 H GLY 30 5.467 -4.109 -4.374 221 1HA GLY 30 2HA GLY 30 3.253 -5.606 -5.405 222 2HA GLY 30 1HA GLY 30 3.496 -5.116 -3.736 223 H ILE 31 H ILE 31 1.173 -5.059 -5.654 224 HA ILE 31 HA ILE 31 0.533 -2.195 -5.471 225 HB ILE 31 HB ILE 31 -0.751 -4.347 -7.162 226 1HG1 ILE 31 2HG1 ILE 31 1.430 -3.697 -8.018 227 2HG1 ILE 31 1HG1 ILE 31 0.170 -3.048 -9.063 228 1HG2 ILE 31 1HG2 ILE 31 -2.066 -2.550 -8.168 229 2HG2 ILE 31 2HG2 ILE 31 -1.363 -1.398 -7.033 230 3HG2 ILE 31 3HG2 ILE 31 -2.397 -2.699 -6.442 231 1HD1 ILE 31 1HD1 ILE 31 0.428 -0.861 -8.003 232 2HD1 ILE 31 2HD1 ILE 31 1.936 -1.428 -8.720 233 3HD1 ILE 31 3HD1 ILE 31 1.701 -1.515 -6.973 234 H ALA 32 H ALA 32 -0.334 -1.883 -3.525 235 HA ALA 32 HA ALA 32 -2.409 -3.708 -2.552 236 1HB ALA 32 1HB ALA 32 -0.674 -3.072 -0.955 237 2HB ALA 32 2HB ALA 32 -2.246 -2.451 -0.449 238 3HB ALA 32 3HB ALA 32 -1.066 -1.368 -1.192 239 H ARG 33 H ARG 33 -4.222 -3.249 -3.696 240 HA ARG 33 HA ARG 33 -4.926 -0.450 -4.109 241 1HB ARG 33 2HB ARG 33 -6.715 -1.452 -5.618 242 2HB ARG 33 1HB ARG 33 -5.045 -1.641 -6.132 243 1HG ARG 33 2HG ARG 33 -5.036 -3.937 -5.334 244 2HG ARG 33 1HG ARG 33 -6.688 -3.753 -4.741 245 1HD ARG 33 2HD ARG 33 -7.464 -3.350 -7.025 246 2HD ARG 33 1HD ARG 33 -5.811 -3.517 -7.620 247 HE ARG 33 HE ARG 33 -5.891 -5.835 -7.134 248 1HH1 ARG 33 1HH1 ARG 33 -8.943 -4.171 -6.700 249 2HH1 ARG 33 2HH1 ARG 33 -9.886 -5.630 -6.690 250 1HH2 ARG 33 1HH2 ARG 33 -7.131 -7.762 -7.130 251 2HH2 ARG 33 2HH2 ARG 33 -8.858 -7.677 -6.916 252 H ILE 34 H ILE 34 -5.735 0.225 -2.183 253 HA ILE 34 HA ILE 34 -7.858 -1.279 -0.887 254 HB ILE 34 HB ILE 34 -6.598 1.375 -0.182 255 1HG1 ILE 34 2HG1 ILE 34 -6.377 -1.379 1.050 256 2HG1 ILE 34 1HG1 ILE 34 -5.120 -0.530 0.157 257 1HG2 ILE 34 1HG2 ILE 34 -7.833 1.216 1.933 258 2HG2 ILE 34 2HG2 ILE 34 -8.669 -0.216 1.331 259 3HG2 ILE 34 3HG2 ILE 34 -8.919 1.346 0.548 260 1HD1 ILE 34 1HD1 ILE 34 -6.314 0.396 2.751 261 2HD1 ILE 34 2HD1 ILE 34 -4.968 1.139 1.884 262 3HD1 ILE 34 3HD1 ILE 34 -4.785 -0.469 2.588 263 H GLU 35 H GLU 35 -9.812 -1.144 -1.558 264 HA GLU 35 HA GLU 35 -11.704 -0.492 -2.635 265 1HB GLU 35 2HB GLU 35 -10.857 2.138 -1.425 266 2HB GLU 35 1HB GLU 35 -12.413 1.887 -2.207 267 1HG GLU 35 2HG GLU 35 -11.376 0.486 0.245 268 2HG GLU 35 1HG GLU 35 -12.675 1.678 0.165 269 H GLY 36 H GLY 36 -9.116 -0.328 -4.109 270 1HA GLY 36 2HA GLY 36 -9.035 -0.082 -6.485 271 2HA GLY 36 1HA GLY 36 -10.149 1.273 -6.349 272 H PHE 37 H PHE 37 -8.380 2.125 -3.951 273 HA PHE 37 HA PHE 37 -6.753 3.923 -5.497 274 1HB PHE 37 2HB PHE 37 -7.895 4.551 -3.349 275 2HB PHE 37 1HB PHE 37 -6.753 3.517 -2.498 276 HD1 PHE 37 HD1 PHE 37 -6.593 6.180 -5.103 277 HD2 PHE 37 HD2 PHE 37 -5.051 4.633 -1.458 278 HE1 PHE 37 HE1 PHE 37 -5.026 8.068 -4.975 279 HE2 PHE 37 HE2 PHE 37 -3.475 6.518 -1.322 280 HZ PHE 37 HZ PHE 37 -3.461 8.240 -3.084 281 H VAL 38 H VAL 38 -4.738 3.592 -6.137 282 HA VAL 38 HA VAL 38 -3.508 1.062 -5.495 283 HB VAL 38 HB VAL 38 -2.594 3.232 -7.386 284 1HG1 VAL 38 1HG1 VAL 38 -0.750 1.797 -6.695 285 2HG1 VAL 38 2HG1 VAL 38 -1.175 1.504 -8.381 286 3HG1 VAL 38 3HG1 VAL 38 -1.685 0.367 -7.133 287 1HG2 VAL 38 1HG2 VAL 38 -3.487 1.766 -9.148 288 2HG2 VAL 38 2HG2 VAL 38 -4.742 2.335 -8.050 289 3HG2 VAL 38 3HG2 VAL 38 -4.129 0.688 -7.908 290 H ILE 39 H ILE 39 -2.112 0.780 -3.930 291 HA ILE 39 HA ILE 39 -0.306 2.985 -3.181 292 HB ILE 39 HB ILE 39 -1.105 0.619 -1.472 293 1HG1 ILE 39 2HG1 ILE 39 -2.072 3.479 -1.272 294 2HG1 ILE 39 1HG1 ILE 39 -3.013 2.157 -1.952 295 1HG2 ILE 39 1HG2 ILE 39 1.066 1.538 -0.909 296 2HG2 ILE 39 2HG2 ILE 39 -0.103 1.940 0.351 297 3HG2 ILE 39 3HG2 ILE 39 0.382 3.162 -0.825 298 1HD1 ILE 39 1HD1 ILE 39 -3.003 1.031 0.198 299 2HD1 ILE 39 2HD1 ILE 39 -3.672 2.657 0.334 300 3HD1 ILE 39 3HD1 ILE 39 -2.026 2.329 0.883 301 H PHE 40 H PHE 40 1.801 2.653 -3.584 302 HA PHE 40 HA PHE 40 2.631 0.043 -4.588 303 1HB PHE 40 2HB PHE 40 3.912 2.768 -4.629 304 2HB PHE 40 1HB PHE 40 4.800 1.319 -5.079 305 HD1 PHE 40 HD1 PHE 40 1.822 3.351 -5.925 306 HD2 PHE 40 HD2 PHE 40 4.619 0.419 -7.222 307 HE1 PHE 40 HE1 PHE 40 0.942 3.533 -8.215 308 HE2 PHE 40 HE2 PHE 40 3.744 0.595 -9.517 309 HZ PHE 40 HZ PHE 40 1.904 2.151 -10.014 310 H VAL 41 H VAL 41 3.662 -1.383 -3.411 311 HA VAL 41 HA VAL 41 5.201 -0.448 -1.072 312 HB VAL 41 HB VAL 41 3.975 -3.196 -1.339 313 1HG1 VAL 41 1HG1 VAL 41 4.389 -3.308 1.073 314 2HG1 VAL 41 2HG1 VAL 41 5.112 -1.700 1.018 315 3HG1 VAL 41 3HG1 VAL 41 5.879 -3.042 0.167 316 1HG2 VAL 41 1HG2 VAL 41 2.874 -0.808 0.142 317 2HG2 VAL 41 2HG2 VAL 41 2.240 -2.453 0.229 318 3HG2 VAL 41 3HG2 VAL 41 2.169 -1.558 -1.290 319 HA PRO 42 HA PRO 42 8.416 -1.903 -3.781 320 1HB PRO 42 2HB PRO 42 10.509 -1.210 -2.190 321 2HB PRO 42 1HB PRO 42 9.604 -0.049 -3.166 322 1HG PRO 42 2HG PRO 42 9.360 -0.670 -0.250 323 2HG PRO 42 1HG PRO 42 9.335 0.904 -1.066 324 1HD PRO 42 2HD PRO 42 7.080 -0.346 -0.241 325 2HD PRO 42 1HD PRO 42 7.124 0.695 -1.677 326 H GLY 43 H GLY 43 8.575 -4.065 -3.947 327 1HA GLY 43 2HA GLY 43 10.103 -5.853 -3.626 328 2HA GLY 43 1HA GLY 43 10.337 -5.328 -1.974 329 H THR 44 H THR 44 7.040 -5.358 -2.488 330 HA THR 44 HA THR 44 6.869 -7.845 -0.990 331 HB THR 44 HB THR 44 4.400 -7.227 -0.875 332 HG1 THR 44 HG1 THR 44 4.592 -5.717 -2.692 333 1HG2 THR 44 1HG2 THR 44 5.948 -6.873 0.978 334 2HG2 THR 44 2HG2 THR 44 4.797 -5.541 0.866 335 3HG2 THR 44 3HG2 THR 44 6.447 -5.332 0.281 336 H LYS 45 H LYS 45 5.921 -9.687 -1.631 337 HA LYS 45 HA LYS 45 5.415 -10.024 -4.483 338 1HB LYS 45 2HB LYS 45 6.946 -11.558 -3.346 339 2HB LYS 45 1HB LYS 45 5.686 -12.006 -2.211 340 1HG LYS 45 2HG LYS 45 4.734 -12.468 -4.848 341 2HG LYS 45 1HG LYS 45 6.337 -13.189 -4.680 342 1HD LYS 45 2HD LYS 45 5.557 -14.289 -2.588 343 2HD LYS 45 1HD LYS 45 3.937 -13.669 -2.915 344 1HE LYS 45 2HE LYS 45 4.072 -15.939 -3.683 345 2HE LYS 45 1HE LYS 45 3.969 -14.871 -5.082 346 1HZ LYS 45 1HZ LYS 45 5.624 -16.552 -5.457 347 2HZ LYS 45 2HZ LYS 45 6.425 -16.157 -4.015 348 3HZ LYS 45 3HZ LYS 45 6.399 -15.050 -5.303 349 H VAL 46 H VAL 46 3.533 -11.180 -5.259 350 HA VAL 46 HA VAL 46 1.100 -10.263 -4.153 351 HB VAL 46 HB VAL 46 1.549 -12.457 -6.191 352 1HG1 VAL 46 1HG1 VAL 46 -0.770 -12.091 -6.850 353 2HG1 VAL 46 2HG1 VAL 46 -0.962 -10.907 -5.558 354 3HG1 VAL 46 3HG1 VAL 46 -0.671 -12.602 -5.164 355 1HG2 VAL 46 1HG2 VAL 46 1.045 -10.726 -7.844 356 2HG2 VAL 46 2HG2 VAL 46 2.467 -10.310 -6.888 357 3HG2 VAL 46 3HG2 VAL 46 0.921 -9.530 -6.554 358 H GLY 47 H GLY 47 -0.204 -11.090 -2.668 359 1HA GLY 47 2HA GLY 47 -1.324 -12.947 -1.636 360 2HA GLY 47 1HA GLY 47 0.115 -13.919 -1.915 361 H ASP 48 H ASP 48 1.677 -11.419 -1.004 362 HA ASP 48 HA ASP 48 1.962 -12.221 1.714 363 1HB ASP 48 2HB ASP 48 3.172 -10.117 -0.024 364 2HB ASP 48 1HB ASP 48 3.323 -9.940 1.720 365 H GLU 49 H GLU 49 0.548 -11.760 3.246 366 HA GLU 49 HA GLU 49 -0.902 -9.217 3.128 367 1HB GLU 49 2HB GLU 49 -1.298 -11.601 4.951 368 2HB GLU 49 1HB GLU 49 -2.292 -10.148 4.943 369 1HG GLU 49 2HG GLU 49 -2.803 -10.653 2.535 370 2HG GLU 49 1HG GLU 49 -2.028 -12.215 2.784 371 H VAL 50 H VAL 50 0.381 -7.675 3.854 372 HA VAL 50 HA VAL 50 1.764 -8.078 6.419 373 HB VAL 50 HB VAL 50 3.632 -6.677 5.526 374 1HG1 VAL 50 1HG1 VAL 50 3.110 -9.266 4.069 375 2HG1 VAL 50 2HG1 VAL 50 3.873 -9.089 5.649 376 3HG1 VAL 50 3HG1 VAL 50 4.676 -8.468 4.208 377 1HG2 VAL 50 1HG2 VAL 50 2.444 -5.595 3.697 378 2HG2 VAL 50 2HG2 VAL 50 2.266 -7.147 2.876 379 3HG2 VAL 50 3HG2 VAL 50 3.869 -6.443 3.098 380 H ARG 51 H ARG 51 2.469 -5.964 7.378 381 HA ARG 51 HA ARG 51 0.286 -4.030 7.040 382 1HB ARG 51 2HB ARG 51 2.278 -4.349 9.296 383 2HB ARG 51 1HB ARG 51 0.942 -3.202 9.258 384 1HG ARG 51 2HG ARG 51 -0.662 -4.970 9.271 385 2HG ARG 51 1HG ARG 51 0.607 -6.181 9.095 386 1HD ARG 51 2HD ARG 51 1.526 -5.399 11.287 387 2HD ARG 51 1HD ARG 51 0.082 -4.399 11.459 388 HE ARG 51 HE ARG 51 -1.170 -6.594 11.212 389 1HH1 ARG 51 1HH1 ARG 51 2.037 -6.359 12.593 390 2HH1 ARG 51 2HH1 ARG 51 1.859 -7.772 13.589 391 1HH2 ARG 51 1HH2 ARG 51 -1.407 -8.481 12.517 392 2HH2 ARG 51 2HH2 ARG 51 -0.095 -8.977 13.544 393 H ILE 52 H ILE 52 0.657 -2.242 5.985 394 HA ILE 52 HA ILE 52 3.448 -1.351 5.666 395 HB ILE 52 HB ILE 52 2.784 -0.291 3.568 396 1HG1 ILE 52 2HG1 ILE 52 0.085 -1.600 3.982 397 2HG1 ILE 52 1HG1 ILE 52 0.408 0.117 4.200 398 1HG2 ILE 52 1HG2 ILE 52 2.031 -3.202 3.724 399 2HG2 ILE 52 2HG2 ILE 52 3.651 -2.547 3.483 400 3HG2 ILE 52 3HG2 ILE 52 2.417 -2.327 2.241 401 1HD1 ILE 52 1HD1 ILE 52 0.714 -1.404 1.619 402 2HD1 ILE 52 2HD1 ILE 52 0.974 0.325 1.854 403 3HD1 ILE 52 3HD1 ILE 52 -0.639 -0.358 2.050 404 H LYS 53 H LYS 53 3.946 0.782 6.003 405 HA LYS 53 HA LYS 53 1.811 2.406 7.184 406 1HB LYS 53 2HB LYS 53 4.009 2.115 8.409 407 2HB LYS 53 1HB LYS 53 4.767 3.036 7.116 408 1HG LYS 53 2HG LYS 53 3.255 4.925 7.626 409 2HG LYS 53 1HG LYS 53 2.618 4.003 8.989 410 1HD LYS 53 2HD LYS 53 4.994 3.856 9.833 411 2HD LYS 53 1HD LYS 53 5.413 5.039 8.594 412 1HE LYS 53 2HE LYS 53 5.030 6.128 10.731 413 2HE LYS 53 1HE LYS 53 3.812 6.614 9.553 414 1HZ LYS 53 1HZ LYS 53 2.927 6.096 11.803 415 2HZ LYS 53 2HZ LYS 53 3.391 4.483 11.578 416 3HZ LYS 53 3HZ LYS 53 2.228 5.183 10.564 417 H VAL 54 H VAL 54 0.730 3.517 5.700 418 HA VAL 54 HA VAL 54 1.839 4.357 3.214 419 HB VAL 54 HB VAL 54 -0.655 5.370 4.603 420 1HG1 VAL 54 1HG1 VAL 54 -1.366 6.061 2.364 421 2HG1 VAL 54 2HG1 VAL 54 0.189 5.544 1.712 422 3HG1 VAL 54 3HG1 VAL 54 0.115 6.883 2.858 423 1HG2 VAL 54 1HG2 VAL 54 -0.314 3.177 2.567 424 2HG2 VAL 54 2HG2 VAL 54 -1.855 3.793 3.159 425 3HG2 VAL 54 3HG2 VAL 54 -0.753 2.970 4.262 426 H GLU 55 H GLU 55 3.528 5.651 3.348 427 HA GLU 55 HA GLU 55 3.748 7.612 5.463 428 1HB GLU 55 2HB GLU 55 6.043 7.941 4.406 429 2HB GLU 55 1HB GLU 55 5.714 6.360 5.101 430 1HG GLU 55 2HG GLU 55 5.287 5.441 2.917 431 2HG GLU 55 1HG GLU 55 5.474 7.029 2.179 432 H ARG 56 H ARG 56 3.285 7.515 1.993 433 HA ARG 56 HA ARG 56 2.922 10.418 1.992 434 1HB ARG 56 2HB ARG 56 4.863 8.910 0.241 435 2HB ARG 56 1HB ARG 56 4.256 10.506 -0.177 436 1HG ARG 56 2HG ARG 56 5.262 11.475 1.762 437 2HG ARG 56 1HG ARG 56 5.703 9.887 2.389 438 1HD ARG 56 2HD ARG 56 6.705 10.953 -0.236 439 2HD ARG 56 1HD ARG 56 7.556 11.204 1.287 440 HE ARG 56 HE ARG 56 7.339 8.570 1.329 441 1HH1 ARG 56 1HH1 ARG 56 8.240 10.672 -1.342 442 2HH1 ARG 56 2HH1 ARG 56 9.217 9.455 -2.109 443 1HH2 ARG 56 1HH2 ARG 56 8.633 7.013 0.338 444 2HH2 ARG 56 2HH2 ARG 56 9.446 7.381 -1.165 445 H VAL 57 H VAL 57 1.410 11.124 0.583 446 HA VAL 57 HA VAL 57 0.192 9.116 -1.181 447 HB VAL 57 HB VAL 57 -2.009 10.278 -0.786 448 1HG1 VAL 57 1HG1 VAL 57 -1.494 8.133 0.255 449 2HG1 VAL 57 2HG1 VAL 57 -2.451 9.141 1.340 450 3HG1 VAL 57 3HG1 VAL 57 -0.718 8.962 1.604 451 1HG2 VAL 57 1HG2 VAL 57 -0.547 11.491 1.557 452 2HG2 VAL 57 2HG2 VAL 57 -2.280 11.598 1.245 453 3HG2 VAL 57 3HG2 VAL 57 -1.135 12.369 0.146 454 H LEU 58 H LEU 58 0.470 9.650 -3.207 455 HA LEU 58 HA LEU 58 0.741 12.468 -3.954 456 1HB LEU 58 2HB LEU 58 1.322 9.921 -5.477 457 2HB LEU 58 1HB LEU 58 1.453 11.520 -6.175 458 HG LEU 58 HG LEU 58 3.650 10.855 -5.639 459 1HD1 LEU 58 1HD1 LEU 58 2.688 12.658 -3.429 460 2HD1 LEU 58 2HD1 LEU 58 3.163 13.156 -5.053 461 3HD1 LEU 58 3HD1 LEU 58 4.361 12.467 -3.956 462 1HD2 LEU 58 1HD2 LEU 58 3.158 8.998 -4.161 463 2HD2 LEU 58 2HD2 LEU 58 2.652 10.113 -2.890 464 3HD2 LEU 58 3HD2 LEU 58 4.337 10.079 -3.415 465 HA PRO 59 HA PRO 59 -3.285 12.775 -5.653 466 1HB PRO 59 2HB PRO 59 -2.819 14.029 -8.057 467 2HB PRO 59 1HB PRO 59 -2.869 14.846 -6.493 468 1HG PRO 59 2HG PRO 59 -0.509 13.930 -8.078 469 2HG PRO 59 1HG PRO 59 -0.729 15.428 -7.157 470 1HD PRO 59 2HD PRO 59 0.716 13.377 -6.193 471 2HD PRO 59 1HD PRO 59 -0.280 14.395 -5.131 472 H LYS 60 H LYS 60 -0.951 10.878 -7.177 473 HA LYS 60 HA LYS 60 -2.909 9.814 -9.093 474 1HB LYS 60 2HB LYS 60 -0.825 10.699 -10.085 475 2HB LYS 60 1HB LYS 60 0.104 9.563 -9.117 476 1HG LYS 60 2HG LYS 60 -0.898 7.698 -10.278 477 2HG LYS 60 1HG LYS 60 -1.931 8.791 -11.197 478 1HD LYS 60 2HD LYS 60 1.078 8.908 -11.284 479 2HD LYS 60 1HD LYS 60 0.122 7.924 -12.392 480 1HE LYS 60 2HE LYS 60 0.561 9.934 -13.540 481 2HE LYS 60 1HE LYS 60 -1.111 10.051 -13.003 482 1HZ LYS 60 1HZ LYS 60 1.235 11.330 -11.696 483 2HZ LYS 60 2HZ LYS 60 -0.366 11.435 -11.150 484 3HZ LYS 60 3HZ LYS 60 0.062 12.116 -12.637 485 H PHE 61 H PHE 61 -0.836 9.047 -6.388 486 HA PHE 61 HA PHE 61 -2.091 6.574 -5.862 487 1HB PHE 61 2HB PHE 61 -0.203 5.049 -6.302 488 2HB PHE 61 1HB PHE 61 -0.807 5.775 -7.784 489 HD1 PHE 61 HD1 PHE 61 1.968 5.728 -5.374 490 HD2 PHE 61 HD2 PHE 61 0.563 7.234 -9.099 491 HE1 PHE 61 HE1 PHE 61 4.249 6.470 -5.934 492 HE2 PHE 61 HE2 PHE 61 2.835 7.978 -9.661 493 HZ PHE 61 HZ PHE 61 4.683 7.595 -8.080 494 H ALA 62 H ALA 62 -0.902 5.369 -4.073 495 HA ALA 62 HA ALA 62 0.475 7.359 -2.391 496 1HB ALA 62 1HB ALA 62 -0.329 6.093 -0.459 497 2HB ALA 62 2HB ALA 62 -1.142 4.964 -1.540 498 3HB ALA 62 3HB ALA 62 -1.660 6.647 -1.473 499 H PHE 63 H PHE 63 2.171 6.612 -1.001 500 HA PHE 63 HA PHE 63 3.464 4.127 -1.923 501 1HB PHE 63 2HB PHE 63 4.595 6.257 -2.710 502 2HB PHE 63 1HB PHE 63 4.920 6.620 -1.020 503 HD1 PHE 63 HD1 PHE 63 5.655 4.313 -3.783 504 HD2 PHE 63 HD2 PHE 63 6.659 5.519 0.173 505 HE1 PHE 63 HE1 PHE 63 7.709 2.971 -3.903 506 HE2 PHE 63 HE2 PHE 63 8.721 4.177 0.061 507 HZ PHE 63 HZ PHE 63 9.247 2.902 -1.982 508 H ALA 64 H ALA 64 4.216 2.787 -0.335 509 HA ALA 64 HA ALA 64 4.079 3.748 2.433 510 1HB ALA 64 1HB ALA 64 2.709 1.242 1.466 511 2HB ALA 64 2HB ALA 64 1.901 2.747 1.906 512 3HB ALA 64 3HB ALA 64 2.774 1.825 3.129 513 H SER 65 H SER 65 5.375 2.669 3.877 514 HA SER 65 HA SER 65 7.268 0.749 2.716 515 1HB SER 65 2HB SER 65 8.472 1.366 5.003 516 2HB SER 65 1HB SER 65 8.612 2.411 3.588 517 HG SER 65 HG SER 65 7.406 3.887 4.528 518 H VAL 66 H VAL 66 7.317 -1.303 3.444 519 HA VAL 66 HA VAL 66 5.147 -2.143 5.130 520 HB VAL 66 HB VAL 66 5.726 -3.500 3.197 521 1HG1 VAL 66 1HG1 VAL 66 8.369 -3.983 4.562 522 2HG1 VAL 66 2HG1 VAL 66 8.111 -3.068 3.079 523 3HG1 VAL 66 3HG1 VAL 66 7.802 -4.803 3.108 524 1HG2 VAL 66 1HG2 VAL 66 6.309 -4.938 5.782 525 2HG2 VAL 66 2HG2 VAL 66 5.827 -5.699 4.266 526 3HG2 VAL 66 3HG2 VAL 66 4.714 -4.618 5.104 527 H VAL 67 H VAL 67 5.182 -2.626 7.223 528 HA VAL 67 HA VAL 67 7.787 -2.564 8.599 529 HB VAL 67 HB VAL 67 6.539 -1.990 10.651 530 1HG1 VAL 67 1HG1 VAL 67 7.444 -0.208 9.247 531 2HG1 VAL 67 2HG1 VAL 67 5.953 0.296 10.042 532 3HG1 VAL 67 3HG1 VAL 67 5.935 -0.154 8.337 533 1HG2 VAL 67 1HG2 VAL 67 4.177 -1.350 10.510 534 2HG2 VAL 67 2HG2 VAL 67 4.418 -3.057 10.139 535 3HG2 VAL 67 3HG2 VAL 67 4.132 -1.902 8.837 536 H GLU 68 H GLU 68 6.405 -4.788 7.236 537 HA GLU 68 HA GLU 68 6.131 -7.017 7.434 538 1HB GLU 68 2HB GLU 68 7.157 -6.720 10.265 539 2HB GLU 68 1HB GLU 68 7.038 -8.213 9.346 540 1HG GLU 68 2HG GLU 68 8.857 -5.885 8.779 541 2HG GLU 68 1HG GLU 68 9.320 -7.470 9.394 Start of MODEL 4 1 1H MET 1 1HT MET 1 -20.666 6.136 -10.563 2 2H MET 1 2HT MET 1 -19.208 6.658 -11.252 3 3H MET 1 3HT MET 1 -20.552 7.686 -11.238 4 HA MET 1 HA MET 1 -19.228 6.674 -8.795 5 1HB MET 1 2HB MET 1 -18.902 9.342 -10.187 6 2HB MET 1 1HB MET 1 -18.305 8.974 -8.575 7 1HG MET 1 2HG MET 1 -17.434 7.677 -11.145 8 2HG MET 1 1HG MET 1 -16.520 8.839 -10.188 9 1HE MET 1 1HE MET 1 -14.477 5.555 -9.645 10 2HE MET 1 2HE MET 1 -14.411 7.253 -10.124 11 3HE MET 1 3HE MET 1 -15.276 6.084 -11.124 12 H PHE 2 H PHE 2 -20.905 6.499 -7.444 13 HA PHE 2 HA PHE 2 -23.061 8.451 -7.486 14 1HB PHE 2 2HB PHE 2 -23.483 6.004 -7.142 15 2HB PHE 2 1HB PHE 2 -22.615 6.107 -5.616 16 HD1 PHE 2 HD1 PHE 2 -25.490 7.665 -7.408 17 HD2 PHE 2 HD2 PHE 2 -23.811 6.483 -3.677 18 HE1 PHE 2 HE1 PHE 2 -27.584 8.281 -6.273 19 HE2 PHE 2 HE2 PHE 2 -25.905 7.097 -2.538 20 HZ PHE 2 HZ PHE 2 -27.793 7.997 -3.835 21 H ARG 3 H ARG 3 -23.719 9.457 -5.376 22 HA ARG 3 HA ARG 3 -23.302 10.858 -3.649 23 1HB ARG 3 2HB ARG 3 -21.453 8.667 -3.214 24 2HB ARG 3 1HB ARG 3 -20.780 10.187 -2.640 25 1HG ARG 3 2HG ARG 3 -22.748 10.558 -1.264 26 2HG ARG 3 1HG ARG 3 -23.461 9.059 -1.863 27 1HD ARG 3 2HD ARG 3 -21.806 7.741 -0.799 28 2HD ARG 3 1HD ARG 3 -20.803 9.152 -0.458 29 HE ARG 3 HE ARG 3 -22.742 9.865 1.020 30 1HH1 ARG 3 1HH1 ARG 3 -21.941 6.502 0.412 31 2HH1 ARG 3 2HH1 ARG 3 -22.573 5.948 1.936 32 1HH2 ARG 3 1HH2 ARG 3 -23.594 9.131 3.001 33 2HH2 ARG 3 2HH2 ARG 3 -23.554 7.437 3.389 34 H GLU 4 H GLU 4 -20.937 12.052 -2.744 35 HA GLU 4 HA GLU 4 -20.514 13.842 -4.951 36 1HB GLU 4 2HB GLU 4 -19.364 13.869 -2.158 37 2HB GLU 4 1HB GLU 4 -19.196 15.165 -3.338 38 1HG GLU 4 2HG GLU 4 -21.614 15.453 -3.382 39 2HG GLU 4 1HG GLU 4 -21.796 14.154 -2.207 40 H GLU 5 H GLU 5 -19.526 12.429 -6.394 41 HA GLU 5 HA GLU 5 -17.784 11.700 -7.621 42 1HB GLU 5 2HB GLU 5 -16.087 13.286 -5.691 43 2HB GLU 5 1HB GLU 5 -15.567 12.680 -7.259 44 1HG GLU 5 2HG GLU 5 -17.268 14.085 -8.344 45 2HG GLU 5 1HG GLU 5 -17.728 14.718 -6.765 46 H SER 6 H SER 6 -18.628 10.420 -5.019 47 HA SER 6 HA SER 6 -18.226 8.526 -3.846 48 1HB SER 6 2HB SER 6 -16.285 7.922 -6.091 49 2HB SER 6 1HB SER 6 -16.981 6.749 -4.969 50 HG SER 6 HG SER 6 -19.061 7.897 -5.900 51 H ARG 7 H ARG 7 -16.311 10.955 -3.664 52 HA ARG 7 HA ARG 7 -14.552 11.626 -2.401 53 1HB ARG 7 2HB ARG 7 -15.134 8.990 -1.121 54 2HB ARG 7 1HB ARG 7 -13.691 9.882 -0.664 55 1HG ARG 7 2HG ARG 7 -15.266 11.845 -0.222 56 2HG ARG 7 1HG ARG 7 -16.566 10.653 -0.307 57 1HD ARG 7 2HD ARG 7 -15.802 11.039 2.003 58 2HD ARG 7 1HD ARG 7 -15.554 9.372 1.480 59 HE ARG 7 HE ARG 7 -13.180 10.469 0.919 60 1HH1 ARG 7 1HH1 ARG 7 -15.155 10.620 3.802 61 2HH1 ARG 7 2HH1 ARG 7 -13.802 10.813 4.876 62 1HH2 ARG 7 1HH2 ARG 7 -11.392 10.727 2.324 63 2HH2 ARG 7 2HH2 ARG 7 -11.655 10.888 4.034 64 H SER 8 H SER 8 -13.817 8.178 -2.706 65 HA SER 8 HA SER 8 -11.875 7.084 -3.065 66 1HB SER 8 2HB SER 8 -12.013 8.279 -5.314 67 2HB SER 8 1HB SER 8 -10.924 9.492 -4.643 68 HG SER 8 HG SER 8 -10.433 6.790 -5.253 69 H VAL 9 H VAL 9 -9.243 8.150 -3.218 70 HA VAL 9 HA VAL 9 -7.587 8.303 -1.635 71 HB VAL 9 HB VAL 9 -7.289 10.664 -0.849 72 1HG1 VAL 9 1HG1 VAL 9 -7.905 10.244 -3.772 73 2HG1 VAL 9 2HG1 VAL 9 -6.378 9.890 -2.960 74 3HG1 VAL 9 3HG1 VAL 9 -6.934 11.557 -3.104 75 1HG2 VAL 9 1HG2 VAL 9 -9.883 11.109 -2.334 76 2HG2 VAL 9 2HG2 VAL 9 -8.788 12.385 -1.801 77 3HG2 VAL 9 3HG2 VAL 9 -9.598 11.366 -0.612 78 HA PRO 10 HA PRO 10 -10.005 7.752 2.221 79 1HB PRO 10 2HB PRO 10 -9.748 5.097 2.522 80 2HB PRO 10 1HB PRO 10 -10.951 5.805 1.441 81 1HG PRO 10 2HG PRO 10 -8.410 4.431 0.796 82 2HG PRO 10 1HG PRO 10 -9.897 4.555 -0.156 83 1HD PRO 10 2HD PRO 10 -7.520 6.095 -0.446 84 2HD PRO 10 1HD PRO 10 -9.056 6.309 -1.305 85 H VAL 11 H VAL 11 -6.779 7.299 1.330 86 HA VAL 11 HA VAL 11 -6.000 6.713 4.109 87 HB VAL 11 HB VAL 11 -3.946 5.695 3.289 88 1HG1 VAL 11 1HG1 VAL 11 -4.883 3.672 2.306 89 2HG1 VAL 11 2HG1 VAL 11 -6.378 4.534 1.940 90 3HG1 VAL 11 3HG1 VAL 11 -5.900 4.269 3.617 91 1HG2 VAL 11 1HG2 VAL 11 -3.641 6.979 1.247 92 2HG2 VAL 11 2HG2 VAL 11 -5.048 6.196 0.527 93 3HG2 VAL 11 3HG2 VAL 11 -3.608 5.250 0.900 94 H GLU 12 H GLU 12 -4.034 7.708 4.865 95 HA GLU 12 HA GLU 12 -3.247 10.133 3.393 96 1HB GLU 12 2HB GLU 12 -3.780 9.890 6.362 97 2HB GLU 12 1HB GLU 12 -3.041 11.289 5.598 98 1HG GLU 12 2HG GLU 12 -5.062 11.709 4.341 99 2HG GLU 12 1HG GLU 12 -5.804 10.255 5.007 100 H GLU 13 H GLU 13 -1.087 10.887 3.896 101 HA GLU 13 HA GLU 13 0.793 8.795 4.238 102 1HB GLU 13 2HB GLU 13 2.469 10.679 4.335 103 2HB GLU 13 1HB GLU 13 1.458 10.627 2.899 104 1HG GLU 13 2HG GLU 13 0.004 12.355 3.954 105 2HG GLU 13 1HG GLU 13 1.193 12.475 5.251 106 H GLY 14 H GLY 14 1.697 7.966 5.975 107 1HA GLY 14 2HA GLY 14 2.616 8.034 8.160 108 2HA GLY 14 1HA GLY 14 1.611 9.425 8.516 109 H GLU 15 H GLU 15 0.380 6.581 6.937 110 HA GLU 15 HA GLU 15 -1.175 5.981 9.376 111 1HB GLU 15 2HB GLU 15 -1.949 5.655 6.473 112 2HB GLU 15 1HB GLU 15 -2.890 5.025 7.815 113 1HG GLU 15 2HG GLU 15 -2.247 7.932 7.381 114 2HG GLU 15 1HG GLU 15 -3.755 7.149 6.916 115 H VAL 16 H VAL 16 -1.995 3.617 9.339 116 HA VAL 16 HA VAL 16 -0.049 1.818 8.120 117 HB VAL 16 HB VAL 16 0.914 2.252 10.309 118 1HG1 VAL 16 1HG1 VAL 16 -1.086 2.966 11.497 119 2HG1 VAL 16 2HG1 VAL 16 -0.257 1.682 12.381 120 3HG1 VAL 16 3HG1 VAL 16 -1.712 1.318 11.454 121 1HG2 VAL 16 1HG2 VAL 16 1.037 -0.038 11.164 122 2HG2 VAL 16 2HG2 VAL 16 1.141 0.002 9.403 123 3HG2 VAL 16 3HG2 VAL 16 -0.365 -0.478 10.189 124 H TYR 17 H TYR 17 -1.012 0.116 7.253 125 HA TYR 17 HA TYR 17 -3.607 -0.777 8.313 126 1HB TYR 17 2HB TYR 17 -3.041 -0.368 5.367 127 2HB TYR 17 1HB TYR 17 -4.537 -0.964 6.069 128 HD1 TYR 17 HD1 TYR 17 -5.989 0.610 7.370 129 HD2 TYR 17 HD2 TYR 17 -2.601 1.942 5.174 130 HE1 TYR 17 HE1 TYR 17 -6.879 2.901 7.398 131 HE2 TYR 17 HE2 TYR 17 -3.476 4.235 5.200 132 HH TYR 17 HH TYR 17 -6.048 5.219 7.189 133 H ASP 18 H ASP 18 -4.053 -2.977 7.969 134 HA ASP 18 HA ASP 18 -1.806 -4.593 7.047 135 1HB ASP 18 2HB ASP 18 -3.067 -6.523 7.864 136 2HB ASP 18 1HB ASP 18 -2.955 -5.295 9.118 137 H VAL 19 H VAL 19 -1.721 -5.475 5.067 138 HA VAL 19 HA VAL 19 -4.165 -5.545 3.447 139 HB VAL 19 HB VAL 19 -2.991 -4.515 1.528 140 1HG1 VAL 19 1HG1 VAL 19 -4.471 -3.137 2.857 141 2HG1 VAL 19 2HG1 VAL 19 -3.085 -2.185 2.326 142 3HG1 VAL 19 3HG1 VAL 19 -3.165 -2.774 3.986 143 1HG2 VAL 19 1HG2 VAL 19 -0.701 -4.971 2.162 144 2HG2 VAL 19 2HG2 VAL 19 -0.846 -3.909 3.562 145 3HG2 VAL 19 3HG2 VAL 19 -0.921 -3.236 1.933 146 H THR 20 H THR 20 -4.103 -6.967 1.696 147 HA THR 20 HA THR 20 -1.773 -8.760 1.592 148 HB THR 20 HB THR 20 -4.537 -9.201 0.437 149 HG1 THR 20 HG1 THR 20 -4.168 -9.162 2.874 150 1HG2 THR 20 1HG2 THR 20 -2.729 -10.441 -0.696 151 2HG2 THR 20 2HG2 THR 20 -3.828 -11.512 0.175 152 3HG2 THR 20 3HG2 THR 20 -2.248 -11.125 0.858 153 H ILE 21 H ILE 21 -0.415 -8.492 -0.055 154 HA ILE 21 HA ILE 21 -0.875 -6.530 -2.052 155 HB ILE 21 HB ILE 21 1.277 -8.652 -1.934 156 1HG1 ILE 21 2HG1 ILE 21 1.265 -7.221 0.059 157 2HG1 ILE 21 1HG1 ILE 21 2.668 -6.879 -0.944 158 1HG2 ILE 21 1HG2 ILE 21 2.539 -7.159 -3.407 159 2HG2 ILE 21 2HG2 ILE 21 1.149 -6.079 -3.499 160 3HG2 ILE 21 3HG2 ILE 21 1.045 -7.710 -4.162 161 1HD1 ILE 21 1HD1 ILE 21 1.714 -4.837 -0.080 162 2HD1 ILE 21 2HD1 ILE 21 0.152 -5.237 -0.796 163 3HD1 ILE 21 3HD1 ILE 21 1.538 -4.898 -1.834 164 H GLN 22 H GLN 22 -2.062 -6.739 -3.807 165 HA GLN 22 HA GLN 22 -3.033 -9.330 -4.607 166 1HB GLN 22 2HB GLN 22 -3.548 -6.620 -5.841 167 2HB GLN 22 1HB GLN 22 -4.469 -8.090 -6.130 168 1HG GLN 22 2HG GLN 22 -4.247 -6.665 -3.488 169 2HG GLN 22 1HG GLN 22 -5.606 -6.546 -4.603 170 1HE2 GLN 22 1HE2 GLN 22 -5.456 -7.510 -1.821 171 2HE2 GLN 22 2HE2 GLN 22 -6.095 -9.119 -1.853 172 H ASP 23 H ASP 23 -1.274 -6.690 -6.237 173 HA ASP 23 HA ASP 23 -0.211 -8.690 -8.122 174 1HB ASP 23 2HB ASP 23 -2.068 -7.294 -9.112 175 2HB ASP 23 1HB ASP 23 -1.049 -5.882 -8.881 176 H ILE 24 H ILE 24 1.658 -7.499 -9.443 177 HA ILE 24 HA ILE 24 3.294 -5.899 -7.611 178 HB ILE 24 HB ILE 24 4.234 -8.371 -9.094 179 1HG1 ILE 24 2HG1 ILE 24 3.050 -8.856 -6.985 180 2HG1 ILE 24 1HG1 ILE 24 4.756 -9.280 -6.893 181 1HG2 ILE 24 1HG2 ILE 24 6.443 -7.933 -8.149 182 2HG2 ILE 24 2HG2 ILE 24 5.848 -6.431 -7.441 183 3HG2 ILE 24 3HG2 ILE 24 5.919 -6.613 -9.194 184 1HD1 ILE 24 1HD1 ILE 24 4.033 -8.239 -4.845 185 2HD1 ILE 24 2HD1 ILE 24 3.457 -6.829 -5.732 186 3HD1 ILE 24 3HD1 ILE 24 5.181 -7.190 -5.676 187 H ALA 25 H ALA 25 4.528 -4.377 -8.669 188 HA ALA 25 HA ALA 25 3.669 -3.815 -11.365 189 1HB ALA 25 1HB ALA 25 3.782 -2.095 -9.637 190 2HB ALA 25 2HB ALA 25 4.753 -1.689 -11.054 191 3HB ALA 25 3HB ALA 25 5.536 -2.275 -9.585 192 H ARG 26 H ARG 26 5.533 -6.100 -10.874 193 HA ARG 26 HA ARG 26 7.211 -7.149 -11.991 194 1HB ARG 26 2HB ARG 26 6.749 -4.859 -13.881 195 2HB ARG 26 1HB ARG 26 7.827 -6.198 -14.236 196 1HG ARG 26 2HG ARG 26 5.934 -7.754 -14.057 197 2HG ARG 26 1HG ARG 26 4.860 -6.389 -13.742 198 1HD ARG 26 2HD ARG 26 6.508 -6.776 -16.239 199 2HD ARG 26 1HD ARG 26 4.787 -7.127 -16.093 200 HE ARG 26 HE ARG 26 4.572 -4.667 -15.543 201 1HH1 ARG 26 1HH1 ARG 26 7.128 -5.917 -17.609 202 2HH1 ARG 26 2HH1 ARG 26 7.302 -4.424 -18.489 203 1HH2 ARG 26 1HH2 ARG 26 4.815 -2.718 -16.711 204 2HH2 ARG 26 2HH2 ARG 26 6.000 -2.617 -17.987 205 H GLN 27 H GLN 27 7.991 -5.371 -9.934 206 HA GLN 27 HA GLN 27 10.750 -4.960 -10.617 207 1HB GLN 27 2HB GLN 27 9.663 -2.882 -11.470 208 2HB GLN 27 1HB GLN 27 9.071 -2.559 -9.848 209 1HG GLN 27 2HG GLN 27 11.396 -2.416 -9.054 210 2HG GLN 27 1HG GLN 27 11.955 -2.683 -10.704 211 1HE2 GLN 27 1HE2 GLN 27 11.696 -1.061 -12.238 212 2HE2 GLN 27 2HE2 GLN 27 11.348 0.574 -11.786 213 H GLY 28 H GLY 28 8.089 -4.547 -8.378 214 1HA GLY 28 2HA GLY 28 8.874 -6.027 -6.312 215 2HA GLY 28 1HA GLY 28 9.904 -4.621 -6.091 216 H ASP 29 H ASP 29 7.885 -2.767 -7.102 217 HA ASP 29 HA ASP 29 6.514 -2.175 -4.724 218 1HB ASP 29 2HB ASP 29 5.870 -1.250 -7.535 219 2HB ASP 29 1HB ASP 29 5.293 -0.506 -6.048 220 H GLY 30 H GLY 30 4.873 -3.215 -3.864 221 1HA GLY 30 2HA GLY 30 3.283 -5.065 -5.380 222 2HA GLY 30 1HA GLY 30 3.107 -4.687 -3.670 223 H ILE 31 H ILE 31 1.120 -4.976 -5.834 224 HA ILE 31 HA ILE 31 -0.012 -2.267 -5.911 225 HB ILE 31 HB ILE 31 -0.762 -4.708 -7.529 226 1HG1 ILE 31 2HG1 ILE 31 1.444 -3.853 -8.152 227 2HG1 ILE 31 1HG1 ILE 31 0.274 -3.516 -9.424 228 1HG2 ILE 31 1HG2 ILE 31 -2.095 -3.140 -8.878 229 2HG2 ILE 31 2HG2 ILE 31 -1.719 -1.859 -7.727 230 3HG2 ILE 31 3HG2 ILE 31 -2.668 -3.253 -7.213 231 1HD1 ILE 31 1HD1 ILE 31 0.104 -1.211 -8.663 232 2HD1 ILE 31 2HD1 ILE 31 1.771 -1.637 -9.049 233 3HD1 ILE 31 3HD1 ILE 31 1.248 -1.550 -7.366 234 H ALA 32 H ALA 32 -1.045 -2.067 -3.989 235 HA ALA 32 HA ALA 32 -3.337 -3.879 -3.597 236 1HB ALA 32 1HB ALA 32 -1.660 -4.277 -1.849 237 2HB ALA 32 2HB ALA 32 -3.135 -3.580 -1.183 238 3HB ALA 32 3HB ALA 32 -1.709 -2.567 -1.415 239 H ARG 33 H ARG 33 -5.111 -2.761 -4.120 240 HA ARG 33 HA ARG 33 -5.087 0.133 -3.607 241 1HB ARG 33 2HB ARG 33 -6.750 0.358 -5.379 242 2HB ARG 33 1HB ARG 33 -5.295 -0.425 -5.975 243 1HG ARG 33 2HG ARG 33 -6.417 -2.600 -5.802 244 2HG ARG 33 1HG ARG 33 -7.881 -1.778 -5.254 245 1HD ARG 33 2HD ARG 33 -7.950 -0.522 -7.356 246 2HD ARG 33 1HD ARG 33 -6.506 -1.368 -7.906 247 HE ARG 33 HE ARG 33 -8.823 -2.999 -7.189 248 1HH1 ARG 33 1HH1 ARG 33 -6.843 -1.549 -9.686 249 2HH1 ARG 33 2HH1 ARG 33 -7.451 -2.568 -10.952 250 1HH2 ARG 33 1HH2 ARG 33 -9.633 -4.352 -8.851 251 2HH2 ARG 33 2HH2 ARG 33 -9.058 -4.152 -10.481 252 H ILE 34 H ILE 34 -6.648 1.090 -2.468 253 HA ILE 34 HA ILE 34 -8.860 -0.601 -1.521 254 HB ILE 34 HB ILE 34 -7.447 1.578 0.032 255 1HG1 ILE 34 2HG1 ILE 34 -7.634 -1.410 0.469 256 2HG1 ILE 34 1HG1 ILE 34 -6.203 -0.532 -0.054 257 1HG2 ILE 34 1HG2 ILE 34 -9.844 1.604 0.459 258 2HG2 ILE 34 2HG2 ILE 34 -8.971 0.996 1.866 259 3HG2 ILE 34 3HG2 ILE 34 -9.818 -0.126 0.798 260 1HD1 ILE 34 1HD1 ILE 34 -7.587 -0.220 2.594 261 2HD1 ILE 34 2HD1 ILE 34 -6.138 0.640 2.076 262 3HD1 ILE 34 3HD1 ILE 34 -6.092 -1.109 2.304 263 H GLU 35 H GLU 35 -10.728 0.051 -2.207 264 HA GLU 35 HA GLU 35 -12.392 1.267 -3.161 265 1HB GLU 35 2HB GLU 35 -11.124 3.560 -1.649 266 2HB GLU 35 1HB GLU 35 -12.745 3.553 -2.332 267 1HG GLU 35 2HG GLU 35 -11.711 1.854 -0.076 268 2HG GLU 35 1HG GLU 35 -12.900 3.151 0.015 269 H GLY 36 H GLY 36 -9.938 0.926 -4.620 270 1HA GLY 36 2HA GLY 36 -9.589 1.532 -6.878 271 2HA GLY 36 1HA GLY 36 -10.324 3.093 -6.553 272 H PHE 37 H PHE 37 -8.707 3.489 -4.128 273 HA PHE 37 HA PHE 37 -6.499 4.766 -5.443 274 1HB PHE 37 2HB PHE 37 -7.863 5.641 -3.437 275 2HB PHE 37 1HB PHE 37 -6.879 4.556 -2.461 276 HD1 PHE 37 HD1 PHE 37 -6.534 7.240 -5.010 277 HD2 PHE 37 HD2 PHE 37 -4.902 5.344 -1.571 278 HE1 PHE 37 HE1 PHE 37 -4.782 8.959 -4.897 279 HE2 PHE 37 HE2 PHE 37 -3.145 7.062 -1.454 280 HZ PHE 37 HZ PHE 37 -3.085 8.873 -3.118 281 H VAL 38 H VAL 38 -4.749 3.662 -6.005 282 HA VAL 38 HA VAL 38 -4.142 1.138 -4.732 283 HB VAL 38 HB VAL 38 -4.081 1.250 -7.152 284 1HG1 VAL 38 1HG1 VAL 38 -2.394 2.530 -8.357 285 2HG1 VAL 38 2HG1 VAL 38 -1.846 3.244 -6.840 286 3HG1 VAL 38 3HG1 VAL 38 -3.470 3.586 -7.440 287 1HG2 VAL 38 1HG2 VAL 38 -1.898 0.243 -7.549 288 2HG2 VAL 38 2HG2 VAL 38 -2.596 -0.336 -6.036 289 3HG2 VAL 38 3HG2 VAL 38 -1.316 0.879 -6.011 290 H ILE 39 H ILE 39 -2.525 0.712 -3.374 291 HA ILE 39 HA ILE 39 -0.641 2.877 -2.734 292 HB ILE 39 HB ILE 39 -1.308 0.439 -1.074 293 1HG1 ILE 39 2HG1 ILE 39 -2.275 3.293 -0.762 294 2HG1 ILE 39 1HG1 ILE 39 -3.259 1.940 -1.306 295 1HG2 ILE 39 1HG2 ILE 39 0.908 1.340 -0.643 296 2HG2 ILE 39 2HG2 ILE 39 -0.164 1.659 0.722 297 3HG2 ILE 39 3HG2 ILE 39 0.225 2.950 -0.414 298 1HD1 ILE 39 1HD1 ILE 39 -3.689 2.452 1.021 299 2HD1 ILE 39 2HD1 ILE 39 -1.984 2.219 1.401 300 3HD1 ILE 39 3HD1 ILE 39 -2.959 0.853 0.860 301 H PHE 40 H PHE 40 1.420 2.630 -3.319 302 HA PHE 40 HA PHE 40 2.302 0.047 -4.350 303 1HB PHE 40 2HB PHE 40 3.456 2.829 -4.487 304 2HB PHE 40 1HB PHE 40 4.374 1.414 -4.986 305 HD1 PHE 40 HD1 PHE 40 1.187 3.221 -5.625 306 HD2 PHE 40 HD2 PHE 40 4.174 0.597 -7.139 307 HE1 PHE 40 HE1 PHE 40 0.163 3.348 -7.859 308 HE2 PHE 40 HE2 PHE 40 3.157 0.721 -9.375 309 HZ PHE 40 HZ PHE 40 1.149 2.100 -9.737 310 H VAL 41 H VAL 41 3.421 -1.312 -3.145 311 HA VAL 41 HA VAL 41 5.058 -0.225 -0.941 312 HB VAL 41 HB VAL 41 3.648 -2.901 -0.891 313 1HG1 VAL 41 1HG1 VAL 41 4.288 -2.916 1.470 314 2HG1 VAL 41 2HG1 VAL 41 5.113 -1.372 1.258 315 3HG1 VAL 41 3HG1 VAL 41 5.701 -2.809 0.421 316 1HG2 VAL 41 1HG2 VAL 41 2.889 -0.334 0.504 317 2HG2 VAL 41 2HG2 VAL 41 2.138 -1.907 0.773 318 3HG2 VAL 41 3HG2 VAL 41 1.994 -1.118 -0.797 319 HA PRO 42 HA PRO 42 7.894 -2.337 -3.814 320 1HB PRO 42 2HB PRO 42 10.121 -1.027 -2.955 321 2HB PRO 42 1HB PRO 42 8.986 -0.354 -4.132 322 1HG PRO 42 2HG PRO 42 9.207 0.173 -1.195 323 2HG PRO 42 1HG PRO 42 8.927 1.316 -2.523 324 1HD PRO 42 2HD PRO 42 6.929 0.406 -0.935 325 2HD PRO 42 1HD PRO 42 6.680 0.817 -2.644 326 H GLY 43 H GLY 43 8.502 -4.334 -3.345 327 1HA GLY 43 2HA GLY 43 10.270 -5.676 -2.348 328 2HA GLY 43 1HA GLY 43 10.041 -4.762 -0.864 329 H THR 44 H THR 44 7.339 -5.864 -2.761 330 HA THR 44 HA THR 44 6.766 -7.846 -0.666 331 HB THR 44 HB THR 44 4.331 -7.418 -1.278 332 HG1 THR 44 HG1 THR 44 5.234 -4.886 -2.166 333 1HG2 THR 44 1HG2 THR 44 4.151 -5.517 0.231 334 2HG2 THR 44 2HG2 THR 44 5.867 -5.165 0.023 335 3HG2 THR 44 3HG2 THR 44 5.363 -6.654 0.823 336 H LYS 45 H LYS 45 5.312 -9.598 -1.355 337 HA LYS 45 HA LYS 45 5.769 -10.329 -4.177 338 1HB LYS 45 2HB LYS 45 6.777 -11.680 -2.122 339 2HB LYS 45 1HB LYS 45 5.165 -12.380 -2.089 340 1HG LYS 45 2HG LYS 45 6.570 -13.807 -3.373 341 2HG LYS 45 1HG LYS 45 5.461 -12.994 -4.484 342 1HD LYS 45 2HD LYS 45 7.185 -11.421 -5.115 343 2HD LYS 45 1HD LYS 45 8.287 -12.096 -3.917 344 1HE LYS 45 2HE LYS 45 8.893 -12.935 -6.083 345 2HE LYS 45 1HE LYS 45 8.205 -14.255 -5.139 346 1HZ LYS 45 1HZ LYS 45 7.389 -14.178 -7.442 347 2HZ LYS 45 2HZ LYS 45 6.702 -12.657 -7.140 348 3HZ LYS 45 3HZ LYS 45 6.142 -14.027 -6.307 349 H VAL 46 H VAL 46 4.037 -11.768 -5.089 350 HA VAL 46 HA VAL 46 1.465 -10.684 -4.661 351 HB VAL 46 HB VAL 46 2.202 -13.269 -6.049 352 1HG1 VAL 46 1HG1 VAL 46 -0.159 -13.193 -5.471 353 2HG1 VAL 46 2HG1 VAL 46 0.063 -13.014 -7.211 354 3HG1 VAL 46 3HG1 VAL 46 -0.303 -11.603 -6.221 355 1HG2 VAL 46 1HG2 VAL 46 1.811 -10.486 -7.145 356 2HG2 VAL 46 2HG2 VAL 46 2.062 -11.940 -8.113 357 3HG2 VAL 46 3HG2 VAL 46 3.337 -11.364 -7.038 358 H GLY 47 H GLY 47 0.077 -11.087 -3.083 359 1HA GLY 47 2HA GLY 47 -1.222 -12.470 -1.686 360 2HA GLY 47 1HA GLY 47 -0.050 -13.762 -1.910 361 H ASP 48 H ASP 48 1.600 -10.929 -1.303 362 HA ASP 48 HA ASP 48 2.396 -11.733 1.305 363 1HB ASP 48 2HB ASP 48 3.207 -9.759 -0.607 364 2HB ASP 48 1HB ASP 48 2.989 -8.976 0.955 365 H GLU 49 H GLU 49 0.987 -11.711 2.919 366 HA GLU 49 HA GLU 49 -0.847 -9.461 3.248 367 1HB GLU 49 2HB GLU 49 -1.715 -11.738 3.599 368 2HB GLU 49 1HB GLU 49 -0.523 -12.001 4.862 369 1HG GLU 49 2HG GLU 49 -1.552 -10.161 6.153 370 2HG GLU 49 1HG GLU 49 -2.800 -10.035 4.914 371 H VAL 50 H VAL 50 0.186 -7.720 4.037 372 HA VAL 50 HA VAL 50 1.893 -8.090 6.394 373 HB VAL 50 HB VAL 50 3.518 -6.429 5.452 374 1HG1 VAL 50 1HG1 VAL 50 3.209 -9.004 3.913 375 2HG1 VAL 50 2HG1 VAL 50 4.017 -8.812 5.468 376 3HG1 VAL 50 3HG1 VAL 50 4.683 -8.039 4.029 377 1HG2 VAL 50 1HG2 VAL 50 3.551 -6.109 3.015 378 2HG2 VAL 50 2HG2 VAL 50 2.100 -5.431 3.753 379 3HG2 VAL 50 3HG2 VAL 50 2.015 -6.967 2.891 380 H ARG 51 H ARG 51 2.271 -6.175 7.627 381 HA ARG 51 HA ARG 51 0.162 -4.178 7.417 382 1HB ARG 51 2HB ARG 51 2.226 -4.841 9.503 383 2HB ARG 51 1HB ARG 51 1.333 -3.328 9.560 384 1HG ARG 51 2HG ARG 51 -0.743 -4.480 9.806 385 2HG ARG 51 1HG ARG 51 0.028 -6.039 9.505 386 1HD ARG 51 2HD ARG 51 -0.477 -5.480 11.925 387 2HD ARG 51 1HD ARG 51 1.172 -5.985 11.562 388 HE ARG 51 HE ARG 51 1.787 -3.597 11.629 389 1HH1 ARG 51 1HH1 ARG 51 -1.162 -4.630 13.230 390 2HH1 ARG 51 2HH1 ARG 51 -1.128 -3.341 14.394 391 1HH2 ARG 51 1HH2 ARG 51 1.837 -1.923 13.168 392 2HH2 ARG 51 2HH2 ARG 51 0.579 -1.800 14.355 393 H ILE 52 H ILE 52 0.475 -2.351 6.363 394 HA ILE 52 HA ILE 52 3.245 -1.612 5.701 395 HB ILE 52 HB ILE 52 2.334 -0.431 3.748 396 1HG1 ILE 52 2HG1 ILE 52 -0.312 -1.699 4.494 397 2HG1 ILE 52 1HG1 ILE 52 0.075 0.001 4.721 398 1HG2 ILE 52 1HG2 ILE 52 1.529 -3.330 3.942 399 2HG2 ILE 52 2HG2 ILE 52 3.124 -2.712 3.515 400 3HG2 ILE 52 3HG2 ILE 52 1.752 -2.427 2.443 401 1HD1 ILE 52 1HD1 ILE 52 -1.251 -0.324 2.729 402 2HD1 ILE 52 2HD1 ILE 52 -0.049 -1.444 2.088 403 3HD1 ILE 52 3HD1 ILE 52 0.360 0.258 2.312 404 H LYS 53 H LYS 53 3.998 0.355 6.097 405 HA LYS 53 HA LYS 53 2.264 2.276 7.475 406 1HB LYS 53 2HB LYS 53 4.393 1.674 8.567 407 2HB LYS 53 1HB LYS 53 5.273 2.189 7.138 408 1HG LYS 53 2HG LYS 53 5.483 3.902 8.752 409 2HG LYS 53 1HG LYS 53 4.373 4.490 7.516 410 1HD LYS 53 2HD LYS 53 2.496 4.178 8.915 411 2HD LYS 53 1HD LYS 53 3.420 3.202 10.063 412 1HE LYS 53 2HE LYS 53 4.807 5.239 10.515 413 2HE LYS 53 1HE LYS 53 3.670 6.155 9.530 414 1HZ LYS 53 1HZ LYS 53 3.044 4.683 12.035 415 2HZ LYS 53 2HZ LYS 53 1.898 5.465 11.068 416 3HZ LYS 53 3HZ LYS 53 3.111 6.366 11.840 417 H VAL 54 H VAL 54 1.227 3.514 6.027 418 HA VAL 54 HA VAL 54 2.251 4.101 3.433 419 HB VAL 54 HB VAL 54 0.024 5.495 4.946 420 1HG1 VAL 54 1HG1 VAL 54 0.672 5.455 1.999 421 2HG1 VAL 54 2HG1 VAL 54 0.862 6.830 3.087 422 3HG1 VAL 54 3HG1 VAL 54 -0.748 6.204 2.728 423 1HG2 VAL 54 1HG2 VAL 54 -0.409 3.111 4.703 424 2HG2 VAL 54 2HG2 VAL 54 -0.095 3.220 2.970 425 3HG2 VAL 54 3HG2 VAL 54 -1.484 4.053 3.670 426 H GLU 55 H GLU 55 3.879 5.425 3.056 427 HA GLU 55 HA GLU 55 4.667 7.321 5.114 428 1HB GLU 55 2HB GLU 55 6.071 6.469 2.573 429 2HB GLU 55 1HB GLU 55 6.755 7.510 3.816 430 1HG GLU 55 2HG GLU 55 6.624 5.700 5.431 431 2HG GLU 55 1HG GLU 55 5.895 4.654 4.214 432 H ARG 56 H ARG 56 3.596 7.268 1.763 433 HA ARG 56 HA ARG 56 3.063 10.139 1.948 434 1HB ARG 56 2HB ARG 56 4.701 8.849 -0.229 435 2HB ARG 56 1HB ARG 56 3.922 10.413 -0.422 436 1HG ARG 56 2HG ARG 56 5.214 11.224 1.544 437 2HG ARG 56 1HG ARG 56 6.078 9.683 1.543 438 1HD ARG 56 2HD ARG 56 7.369 11.359 0.368 439 2HD ARG 56 1HD ARG 56 6.818 10.120 -0.757 440 HE ARG 56 HE ARG 56 5.146 12.487 -0.562 441 1HH1 ARG 56 1HH1 ARG 56 7.647 10.761 -2.301 442 2HH1 ARG 56 2HH1 ARG 56 7.560 11.783 -3.707 443 1HH2 ARG 56 1HH2 ARG 56 4.981 13.806 -2.436 444 2HH2 ARG 56 2HH2 ARG 56 6.036 13.502 -3.792 445 H VAL 57 H VAL 57 1.526 10.909 0.470 446 HA VAL 57 HA VAL 57 0.040 8.853 -1.023 447 HB VAL 57 HB VAL 57 -1.096 11.126 0.616 448 1HG1 VAL 57 1HG1 VAL 57 -3.307 10.455 -0.236 449 2HG1 VAL 57 2HG1 VAL 57 -2.527 9.346 -1.362 450 3HG1 VAL 57 3HG1 VAL 57 -2.271 11.085 -1.515 451 1HG2 VAL 57 1HG2 VAL 57 -2.361 9.324 1.708 452 2HG2 VAL 57 2HG2 VAL 57 -0.620 9.078 1.854 453 3HG2 VAL 57 3HG2 VAL 57 -1.549 8.141 0.683 454 H LEU 58 H LEU 58 -0.124 9.269 -3.120 455 HA LEU 58 HA LEU 58 0.368 12.023 -4.037 456 1HB LEU 58 2HB LEU 58 1.004 9.397 -5.400 457 2HB LEU 58 1HB LEU 58 1.164 10.963 -6.166 458 HG LEU 58 HG LEU 58 2.739 11.485 -4.135 459 1HD1 LEU 58 1HD1 LEU 58 2.297 9.450 -2.893 460 2HD1 LEU 58 2HD1 LEU 58 3.992 9.529 -3.377 461 3HD1 LEU 58 3HD1 LEU 58 2.875 8.479 -4.248 462 1HD2 LEU 58 1HD2 LEU 58 3.551 9.719 -6.434 463 2HD2 LEU 58 2HD2 LEU 58 4.652 10.665 -5.433 464 3HD2 LEU 58 3HD2 LEU 58 3.457 11.479 -6.444 465 HA PRO 59 HA PRO 59 -3.399 12.820 -6.040 466 1HB PRO 59 2HB PRO 59 -2.106 12.067 -8.635 467 2HB PRO 59 1HB PRO 59 -3.177 13.426 -8.272 468 1HG PRO 59 2HG PRO 59 -0.532 13.758 -8.384 469 2HG PRO 59 1HG PRO 59 -1.516 14.619 -7.186 470 1HD PRO 59 2HD PRO 59 0.396 12.410 -6.811 471 2HD PRO 59 1HD PRO 59 -0.193 13.600 -5.639 472 H LYS 60 H LYS 60 -1.951 9.874 -7.514 473 HA LYS 60 HA LYS 60 -4.649 8.711 -7.425 474 1HB LYS 60 2HB LYS 60 -4.237 7.622 -9.606 475 2HB LYS 60 1HB LYS 60 -4.302 9.373 -9.713 476 1HG LYS 60 2HG LYS 60 -1.922 9.512 -9.908 477 2HG LYS 60 1HG LYS 60 -1.751 7.788 -9.583 478 1HD LYS 60 2HD LYS 60 -1.511 8.001 -11.911 479 2HD LYS 60 1HD LYS 60 -3.149 7.403 -11.670 480 1HE LYS 60 2HE LYS 60 -2.443 10.304 -12.108 481 2HE LYS 60 1HE LYS 60 -2.941 9.203 -13.388 482 1HZ LYS 60 1HZ LYS 60 -4.545 10.186 -11.098 483 2HZ LYS 60 2HZ LYS 60 -5.023 8.850 -12.024 484 3HZ LYS 60 3HZ LYS 60 -4.854 10.368 -12.753 485 H PHE 61 H PHE 61 -1.930 8.385 -5.927 486 HA PHE 61 HA PHE 61 -2.253 5.621 -5.419 487 1HB PHE 61 2HB PHE 61 -0.119 4.760 -6.239 488 2HB PHE 61 1HB PHE 61 -1.100 5.362 -7.566 489 HD1 PHE 61 HD1 PHE 61 2.010 5.665 -5.759 490 HD2 PHE 61 HD2 PHE 61 -0.506 7.515 -8.653 491 HE1 PHE 61 HE1 PHE 61 3.905 7.033 -6.528 492 HE2 PHE 61 HE2 PHE 61 1.383 8.886 -9.424 493 HZ PHE 61 HZ PHE 61 3.593 8.645 -8.364 494 H ALA 62 H ALA 62 -1.044 4.888 -3.661 495 HA ALA 62 HA ALA 62 0.302 7.043 -2.172 496 1HB ALA 62 1HB ALA 62 -1.678 6.138 -1.066 497 2HB ALA 62 2HB ALA 62 -0.221 5.770 -0.148 498 3HB ALA 62 3HB ALA 62 -0.986 4.520 -1.129 499 H PHE 63 H PHE 63 2.050 6.290 -0.687 500 HA PHE 63 HA PHE 63 3.580 4.053 -1.837 501 1HB PHE 63 2HB PHE 63 4.486 6.246 -2.595 502 2HB PHE 63 1HB PHE 63 4.717 6.704 -0.911 503 HD1 PHE 63 HD1 PHE 63 5.703 4.140 -3.412 504 HD2 PHE 63 HD2 PHE 63 6.709 6.216 0.164 505 HE1 PHE 63 HE1 PHE 63 7.944 3.127 -3.457 506 HE2 PHE 63 HE2 PHE 63 8.948 5.205 0.125 507 HZ PHE 63 HZ PHE 63 9.572 3.659 -1.688 508 H ALA 64 H ALA 64 4.084 2.570 -0.344 509 HA ALA 64 HA ALA 64 4.341 3.389 2.463 510 1HB ALA 64 1HB ALA 64 2.536 1.157 1.536 511 2HB ALA 64 2HB ALA 64 2.003 2.726 2.142 512 3HB ALA 64 3HB ALA 64 2.857 1.611 3.210 513 H SER 65 H SER 65 5.232 1.672 3.833 514 HA SER 65 HA SER 65 6.711 -0.394 2.370 515 1HB SER 65 2HB SER 65 8.615 0.052 4.033 516 2HB SER 65 1HB SER 65 8.391 1.227 2.738 517 HG SER 65 HG SER 65 7.817 2.697 4.139 518 H VAL 66 H VAL 66 7.415 -2.188 3.772 519 HA VAL 66 HA VAL 66 5.266 -2.874 5.587 520 HB VAL 66 HB VAL 66 7.661 -4.526 4.757 521 1HG1 VAL 66 1HG1 VAL 66 6.350 -6.434 5.535 522 2HG1 VAL 66 2HG1 VAL 66 5.061 -5.346 6.048 523 3HG1 VAL 66 3HG1 VAL 66 6.635 -5.284 6.840 524 1HG2 VAL 66 1HG2 VAL 66 6.101 -5.647 3.213 525 2HG2 VAL 66 2HG2 VAL 66 6.325 -3.944 2.816 526 3HG2 VAL 66 3HG2 VAL 66 4.857 -4.471 3.639 527 H VAL 67 H VAL 67 5.379 -2.363 7.675 528 HA VAL 67 HA VAL 67 8.031 -2.324 8.947 529 HB VAL 67 HB VAL 67 7.206 -0.631 10.506 530 1HG1 VAL 67 1HG1 VAL 67 8.303 0.126 8.478 531 2HG1 VAL 67 2HG1 VAL 67 7.032 1.254 8.949 532 3HG1 VAL 67 3HG1 VAL 67 6.760 0.124 7.622 533 1HG2 VAL 67 1HG2 VAL 67 5.021 0.450 10.147 534 2HG2 VAL 67 2HG2 VAL 67 4.850 -1.260 10.549 535 3HG2 VAL 67 3HG2 VAL 67 4.659 -0.722 8.880 536 H GLU 68 H GLU 68 5.505 -4.144 8.665 537 HA GLU 68 HA GLU 68 4.258 -5.606 9.884 538 1HB GLU 68 2HB GLU 68 6.646 -6.403 10.270 539 2HB GLU 68 1HB GLU 68 6.574 -5.583 11.823 540 1HG GLU 68 2HG GLU 68 4.615 -6.996 12.409 541 2HG GLU 68 1HG GLU 68 4.861 -7.880 10.903 Start of MODEL 5 1 1H MET 1 1HT MET 1 -18.198 25.719 12.820 2 2H MET 1 2HT MET 1 -19.285 27.013 12.918 3 3H MET 1 3HT MET 1 -19.480 25.833 11.715 4 HA MET 1 HA MET 1 -19.729 25.397 14.633 5 1HB MET 1 2HB MET 1 -21.802 25.574 12.444 6 2HB MET 1 1HB MET 1 -22.129 24.874 14.020 7 1HG MET 1 2HG MET 1 -22.934 27.140 13.925 8 2HG MET 1 1HG MET 1 -21.608 27.015 15.078 9 1HE MET 1 1HE MET 1 -21.634 29.726 14.988 10 2HE MET 1 2HE MET 1 -22.844 29.739 13.705 11 3HE MET 1 3HE MET 1 -21.344 30.649 13.515 12 H PHE 2 H PHE 2 -20.467 24.000 11.432 13 HA PHE 2 HA PHE 2 -19.404 21.442 12.404 14 1HB PHE 2 2HB PHE 2 -22.080 21.852 11.066 15 2HB PHE 2 1HB PHE 2 -21.288 20.284 11.176 16 HD1 PHE 2 HD1 PHE 2 -20.907 19.253 13.392 17 HD2 PHE 2 HD2 PHE 2 -23.235 22.782 12.906 18 HE1 PHE 2 HE1 PHE 2 -21.906 18.897 15.611 19 HE2 PHE 2 HE2 PHE 2 -24.232 22.435 15.125 20 HZ PHE 2 HZ PHE 2 -23.569 20.490 16.480 21 H ARG 3 H ARG 3 -18.582 20.084 10.801 22 HA ARG 3 HA ARG 3 -18.662 21.003 8.037 23 1HB ARG 3 2HB ARG 3 -16.632 22.054 8.961 24 2HB ARG 3 1HB ARG 3 -16.061 20.479 9.500 25 1HG ARG 3 2HG ARG 3 -15.925 19.722 7.193 26 2HG ARG 3 1HG ARG 3 -16.543 21.276 6.636 27 1HD ARG 3 2HD ARG 3 -14.010 20.940 8.228 28 2HD ARG 3 1HD ARG 3 -14.064 21.005 6.469 29 HE ARG 3 HE ARG 3 -14.885 23.231 8.239 30 1HH1 ARG 3 1HH1 ARG 3 -13.636 22.013 5.193 31 2HH1 ARG 3 2HH1 ARG 3 -13.146 23.582 4.628 32 1HH2 ARG 3 1HH2 ARG 3 -14.240 25.307 7.478 33 2HH2 ARG 3 2HH2 ARG 3 -13.475 25.444 5.923 34 H GLU 4 H GLU 4 -18.438 19.348 6.566 35 HA GLU 4 HA GLU 4 -19.028 16.734 7.585 36 1HB GLU 4 2HB GLU 4 -19.160 16.135 5.165 37 2HB GLU 4 1HB GLU 4 -20.199 17.472 5.638 38 1HG GLU 4 2HG GLU 4 -18.541 19.052 4.749 39 2HG GLU 4 1HG GLU 4 -17.549 17.691 4.229 40 H GLU 5 H GLU 5 -17.941 14.822 6.485 41 HA GLU 5 HA GLU 5 -15.075 15.034 6.946 42 1HB GLU 5 2HB GLU 5 -15.119 12.575 6.849 43 2HB GLU 5 1HB GLU 5 -16.292 13.198 8.003 44 1HG GLU 5 2HG GLU 5 -17.911 13.033 5.942 45 2HG GLU 5 1HG GLU 5 -16.724 11.845 5.398 46 H SER 6 H SER 6 -13.562 14.001 5.385 47 HA SER 6 HA SER 6 -14.578 14.039 2.634 48 1HB SER 6 2HB SER 6 -12.127 15.559 3.550 49 2HB SER 6 1HB SER 6 -12.711 15.442 1.892 50 HG SER 6 HG SER 6 -14.734 16.256 3.390 51 H ARG 7 H ARG 7 -11.740 13.408 4.695 52 HA ARG 7 HA ARG 7 -10.044 11.907 4.583 53 1HB ARG 7 2HB ARG 7 -12.250 10.440 3.239 54 2HB ARG 7 1HB ARG 7 -10.623 9.814 3.017 55 1HG ARG 7 2HG ARG 7 -11.883 10.341 5.699 56 2HG ARG 7 1HG ARG 7 -11.861 8.771 4.889 57 1HD ARG 7 2HD ARG 7 -9.339 9.007 4.808 58 2HD ARG 7 1HD ARG 7 -9.525 10.370 5.909 59 HE ARG 7 HE ARG 7 -10.903 8.198 7.000 60 1HH1 ARG 7 1HH1 ARG 7 -7.605 9.196 6.346 61 2HH1 ARG 7 2HH1 ARG 7 -6.906 8.127 7.528 62 1HH2 ARG 7 1HH2 ARG 7 -10.010 6.815 8.555 63 2HH2 ARG 7 2HH2 ARG 7 -8.288 6.772 8.808 64 H SER 8 H SER 8 -8.219 12.379 3.555 65 HA SER 8 HA SER 8 -8.189 13.132 0.780 66 1HB SER 8 2HB SER 8 -5.759 12.466 2.445 67 2HB SER 8 1HB SER 8 -5.886 13.600 1.098 68 HG SER 8 HG SER 8 -6.455 13.944 3.778 69 H VAL 9 H VAL 9 -9.065 11.253 -0.170 70 HA VAL 9 HA VAL 9 -9.268 9.174 -0.976 71 HB VAL 9 HB VAL 9 -7.491 8.173 -2.048 72 1HG1 VAL 9 1HG1 VAL 9 -6.060 9.930 -2.955 73 2HG1 VAL 9 2HG1 VAL 9 -6.599 11.013 -1.671 74 3HG1 VAL 9 3HG1 VAL 9 -7.754 10.412 -2.861 75 1HG2 VAL 9 1HG2 VAL 9 -6.078 7.535 -0.244 76 2HG2 VAL 9 2HG2 VAL 9 -5.634 9.210 0.078 77 3HG2 VAL 9 3HG2 VAL 9 -5.096 8.425 -1.408 78 HA PRO 10 HA PRO 10 -9.737 6.282 2.210 79 1HB PRO 10 2HB PRO 10 -8.705 3.870 1.419 80 2HB PRO 10 1HB PRO 10 -10.241 4.533 0.849 81 1HG PRO 10 2HG PRO 10 -7.554 4.576 -0.462 82 2HG PRO 10 1HG PRO 10 -9.146 4.266 -1.176 83 1HD PRO 10 2HD PRO 10 -7.932 6.637 -1.433 84 2HD PRO 10 1HD PRO 10 -9.692 6.511 -1.254 85 H VAL 11 H VAL 11 -6.502 6.865 1.328 86 HA VAL 11 HA VAL 11 -5.598 5.975 3.965 87 HB VAL 11 HB VAL 11 -3.435 5.229 2.976 88 1HG1 VAL 11 1HG1 VAL 11 -5.144 3.605 3.573 89 2HG1 VAL 11 2HG1 VAL 11 -4.245 3.081 2.150 90 3HG1 VAL 11 3HG1 VAL 11 -5.863 3.758 1.969 91 1HG2 VAL 11 1HG2 VAL 11 -3.316 4.732 0.581 92 2HG2 VAL 11 2HG2 VAL 11 -3.531 6.458 0.871 93 3HG2 VAL 11 3HG2 VAL 11 -4.899 5.476 0.349 94 H GLU 12 H GLU 12 -4.332 7.452 5.000 95 HA GLU 12 HA GLU 12 -3.529 9.785 3.396 96 1HB GLU 12 2HB GLU 12 -4.679 9.736 6.184 97 2HB GLU 12 1HB GLU 12 -3.884 11.149 5.498 98 1HG GLU 12 2HG GLU 12 -5.531 11.082 3.629 99 2HG GLU 12 1HG GLU 12 -6.370 9.790 4.481 100 H GLU 13 H GLU 13 -1.917 11.189 4.683 101 HA GLU 13 HA GLU 13 0.471 9.694 4.615 102 1HB GLU 13 2HB GLU 13 -0.050 12.508 5.565 103 2HB GLU 13 1HB GLU 13 1.541 11.829 5.254 104 1HG GLU 13 2HG GLU 13 1.158 11.707 2.947 105 2HG GLU 13 1HG GLU 13 -0.581 11.926 3.139 106 H GLY 14 H GLY 14 1.150 8.365 6.126 107 1HA GLY 14 2HA GLY 14 2.406 8.124 8.097 108 2HA GLY 14 1HA GLY 14 1.550 9.472 8.804 109 H GLU 15 H GLU 15 -0.046 6.755 7.220 110 HA GLU 15 HA GLU 15 -0.898 5.878 9.910 111 1HB GLU 15 2HB GLU 15 -2.645 5.781 7.456 112 2HB GLU 15 1HB GLU 15 -3.100 5.331 9.087 113 1HG GLU 15 2HG GLU 15 -2.497 7.800 9.641 114 2HG GLU 15 1HG GLU 15 -2.715 8.039 7.910 115 H VAL 16 H VAL 16 -1.444 3.656 10.119 116 HA VAL 16 HA VAL 16 0.059 1.989 8.220 117 HB VAL 16 HB VAL 16 1.152 1.956 10.363 118 1HG1 VAL 16 1HG1 VAL 16 -1.510 1.177 11.541 119 2HG1 VAL 16 2HG1 VAL 16 -0.672 2.713 11.763 120 3HG1 VAL 16 3HG1 VAL 16 0.021 1.228 12.417 121 1HG2 VAL 16 1HG2 VAL 16 1.022 -0.439 10.950 122 2HG2 VAL 16 2HG2 VAL 16 1.125 -0.174 9.211 123 3HG2 VAL 16 3HG2 VAL 16 -0.422 -0.587 9.950 124 H TYR 17 H TYR 17 -0.916 0.300 7.273 125 HA TYR 17 HA TYR 17 -3.632 -0.427 8.151 126 1HB TYR 17 2HB TYR 17 -2.835 -0.088 5.251 127 2HB TYR 17 1HB TYR 17 -4.439 -0.435 5.879 128 HD1 TYR 17 HD1 TYR 17 -5.832 1.352 6.787 129 HD2 TYR 17 HD2 TYR 17 -1.890 2.153 5.386 130 HE1 TYR 17 HE1 TYR 17 -6.329 3.764 6.770 131 HE2 TYR 17 HE2 TYR 17 -2.380 4.563 5.379 132 HH TYR 17 HH TYR 17 -5.036 5.937 6.881 133 H ASP 18 H ASP 18 -4.240 -2.576 7.680 134 HA ASP 18 HA ASP 18 -2.002 -4.386 7.147 135 1HB ASP 18 2HB ASP 18 -4.841 -5.049 7.963 136 2HB ASP 18 1HB ASP 18 -3.475 -6.158 7.936 137 H VAL 19 H VAL 19 -1.667 -4.838 5.039 138 HA VAL 19 HA VAL 19 -4.028 -4.847 3.266 139 HB VAL 19 HB VAL 19 -2.633 -3.980 1.466 140 1HG1 VAL 19 1HG1 VAL 19 -3.813 -2.371 2.832 141 2HG1 VAL 19 2HG1 VAL 19 -2.253 -1.713 2.340 142 3HG1 VAL 19 3HG1 VAL 19 -2.474 -2.324 3.980 143 1HG2 VAL 19 1HG2 VAL 19 -0.493 -4.934 2.131 144 2HG2 VAL 19 2HG2 VAL 19 -0.431 -3.859 3.529 145 3HG2 VAL 19 3HG2 VAL 19 -0.351 -3.191 1.899 146 H THR 20 H THR 20 -3.707 -6.041 1.237 147 HA THR 20 HA THR 20 -1.770 -8.229 1.440 148 HB THR 20 HB THR 20 -4.623 -8.553 0.476 149 HG1 THR 20 HG1 THR 20 -3.436 -8.781 2.970 150 1HG2 THR 20 1HG2 THR 20 -3.015 -10.056 -0.616 151 2HG2 THR 20 2HG2 THR 20 -4.091 -10.946 0.463 152 3HG2 THR 20 3HG2 THR 20 -2.437 -10.588 0.964 153 H ILE 21 H ILE 21 -0.589 -8.478 -0.352 154 HA ILE 21 HA ILE 21 -0.764 -6.496 -2.378 155 HB ILE 21 HB ILE 21 0.909 -9.007 -2.332 156 1HG1 ILE 21 2HG1 ILE 21 1.351 -7.677 -0.357 157 2HG1 ILE 21 1HG1 ILE 21 2.698 -7.514 -1.475 158 1HG2 ILE 21 1HG2 ILE 21 1.207 -6.469 -3.925 159 2HG2 ILE 21 2HG2 ILE 21 0.773 -8.060 -4.550 160 3HG2 ILE 21 3HG2 ILE 21 2.379 -7.787 -3.874 161 1HD1 ILE 21 1HD1 ILE 21 1.813 -5.345 -2.198 162 2HD1 ILE 21 2HD1 ILE 21 2.175 -5.387 -0.474 163 3HD1 ILE 21 3HD1 ILE 21 0.504 -5.505 -1.025 164 H GLN 22 H GLN 22 -1.819 -6.512 -4.243 165 HA GLN 22 HA GLN 22 -3.303 -8.937 -4.955 166 1HB GLN 22 2HB GLN 22 -3.704 -6.063 -5.813 167 2HB GLN 22 1HB GLN 22 -4.719 -7.413 -6.297 168 1HG GLN 22 2HG GLN 22 -4.324 -6.481 -3.463 169 2HG GLN 22 1HG GLN 22 -5.696 -6.060 -4.488 170 1HE2 GLN 22 1HE2 GLN 22 -4.148 -8.566 -2.652 171 2HE2 GLN 22 2HE2 GLN 22 -5.468 -9.690 -2.674 172 H ASP 23 H ASP 23 -1.148 -6.499 -6.359 173 HA ASP 23 HA ASP 23 -0.671 -8.340 -8.604 174 1HB ASP 23 2HB ASP 23 -1.290 -5.397 -8.784 175 2HB ASP 23 1HB ASP 23 -0.443 -6.250 -10.067 176 H ILE 24 H ILE 24 1.293 -7.507 -9.920 177 HA ILE 24 HA ILE 24 3.360 -6.514 -8.071 178 HB ILE 24 HB ILE 24 3.678 -8.636 -10.211 179 1HG1 ILE 24 2HG1 ILE 24 2.676 -9.446 -8.114 180 2HG1 ILE 24 1HG1 ILE 24 4.286 -10.113 -8.364 181 1HG2 ILE 24 1HG2 ILE 24 5.620 -7.173 -10.181 182 2HG2 ILE 24 2HG2 ILE 24 6.029 -8.755 -9.519 183 3HG2 ILE 24 3HG2 ILE 24 5.774 -7.387 -8.439 184 1HD1 ILE 24 1HD1 ILE 24 5.189 -8.469 -6.778 185 2HD1 ILE 24 2HD1 ILE 24 3.966 -9.510 -6.049 186 3HD1 ILE 24 3HD1 ILE 24 3.559 -7.855 -6.508 187 H ALA 25 H ALA 25 4.582 -4.863 -8.809 188 HA ALA 25 HA ALA 25 3.940 -3.863 -11.489 189 1HB ALA 25 1HB ALA 25 5.263 -2.398 -9.221 190 2HB ALA 25 2HB ALA 25 3.529 -2.405 -9.538 191 3HB ALA 25 3HB ALA 25 4.639 -1.707 -10.719 192 H ARG 26 H ARG 26 5.888 -2.440 -12.363 193 HA ARG 26 HA ARG 26 7.798 -4.368 -13.191 194 1HB ARG 26 2HB ARG 26 7.557 -1.406 -13.664 195 2HB ARG 26 1HB ARG 26 8.843 -2.378 -14.363 196 1HG ARG 26 2HG ARG 26 7.232 -3.725 -15.552 197 2HG ARG 26 1HG ARG 26 5.902 -2.851 -14.787 198 1HD ARG 26 2HD ARG 26 6.472 -2.134 -17.135 199 2HD ARG 26 1HD ARG 26 6.435 -0.848 -15.930 200 HE ARG 26 HE ARG 26 8.789 -0.709 -16.025 201 1HH1 ARG 26 1HH1 ARG 26 7.489 -3.054 -18.286 202 2HH1 ARG 26 2HH1 ARG 26 8.923 -3.097 -19.266 203 1HH2 ARG 26 1HH2 ARG 26 10.670 -0.751 -17.337 204 2HH2 ARG 26 2HH2 ARG 26 10.724 -1.794 -18.729 205 H GLN 27 H GLN 27 7.895 -1.779 -10.820 206 HA GLN 27 HA GLN 27 10.746 -1.920 -10.454 207 1HB GLN 27 2HB GLN 27 8.531 -0.622 -8.873 208 2HB GLN 27 1HB GLN 27 10.215 -0.550 -8.380 209 1HG GLN 27 2HG GLN 27 9.391 0.346 -11.108 210 2HG GLN 27 1HG GLN 27 9.196 1.404 -9.714 211 1HE2 GLN 27 1HE2 GLN 27 11.846 -0.879 -10.052 212 2HE2 GLN 27 2HE2 GLN 27 13.087 0.309 -10.243 213 H GLY 28 H GLY 28 8.818 -4.341 -9.976 214 1HA GLY 28 2HA GLY 28 8.795 -6.160 -8.554 215 2HA GLY 28 1HA GLY 28 10.209 -5.472 -7.759 216 H ASP 29 H ASP 29 7.268 -3.715 -8.170 217 HA ASP 29 HA ASP 29 7.091 -3.379 -5.291 218 1HB ASP 29 2HB ASP 29 7.055 -1.403 -6.825 219 2HB ASP 29 1HB ASP 29 5.537 -1.997 -7.490 220 H GLY 30 H GLY 30 5.271 -3.873 -4.093 221 1HA GLY 30 2HA GLY 30 3.456 -5.800 -5.344 222 2HA GLY 30 1HA GLY 30 3.690 -5.567 -3.614 223 H ILE 31 H ILE 31 1.658 -5.022 -6.145 224 HA ILE 31 HA ILE 31 0.713 -2.408 -5.409 225 HB ILE 31 HB ILE 31 -0.460 -4.440 -7.313 226 1HG1 ILE 31 2HG1 ILE 31 1.204 -1.970 -7.852 227 2HG1 ILE 31 1HG1 ILE 31 1.806 -3.623 -7.915 228 1HG2 ILE 31 1HG2 ILE 31 -1.741 -2.547 -8.215 229 2HG2 ILE 31 2HG2 ILE 31 -1.104 -1.517 -6.933 230 3HG2 ILE 31 3HG2 ILE 31 -2.151 -2.877 -6.531 231 1HD1 ILE 31 1HD1 ILE 31 0.251 -4.102 -9.743 232 2HD1 ILE 31 2HD1 ILE 31 1.356 -2.784 -10.134 233 3HD1 ILE 31 3HD1 ILE 31 -0.313 -2.432 -9.687 234 H ALA 32 H ALA 32 -0.178 -2.311 -3.461 235 HA ALA 32 HA ALA 32 -2.338 -4.198 -2.800 236 1HB ALA 32 1HB ALA 32 -0.590 -4.018 -1.104 237 2HB ALA 32 2HB ALA 32 -2.116 -3.372 -0.500 238 3HB ALA 32 3HB ALA 32 -0.839 -2.273 -1.021 239 H ARG 33 H ARG 33 -4.334 -3.485 -3.212 240 HA ARG 33 HA ARG 33 -4.703 -0.584 -3.466 241 1HB ARG 33 2HB ARG 33 -6.556 -1.072 -4.972 242 2HB ARG 33 1HB ARG 33 -5.085 -1.846 -5.538 243 1HG ARG 33 2HG ARG 33 -5.863 -3.976 -4.585 244 2HG ARG 33 1HG ARG 33 -7.355 -3.181 -4.079 245 1HD ARG 33 2HD ARG 33 -7.739 -2.579 -6.478 246 2HD ARG 33 1HD ARG 33 -6.361 -3.601 -6.888 247 HE ARG 33 HE ARG 33 -8.495 -4.832 -5.332 248 1HH1 ARG 33 1HH1 ARG 33 -6.934 -4.404 -8.442 249 2HH1 ARG 33 2HH1 ARG 33 -7.779 -5.730 -9.189 250 1HH2 ARG 33 1HH2 ARG 33 -9.572 -6.585 -6.293 251 2HH2 ARG 33 2HH2 ARG 33 -9.270 -6.981 -7.957 252 H ILE 34 H ILE 34 -6.176 0.438 -2.266 253 HA ILE 34 HA ILE 34 -8.068 -1.198 -0.713 254 HB ILE 34 HB ILE 34 -6.633 1.306 0.193 255 1HG1 ILE 34 2HG1 ILE 34 -6.651 -1.533 1.241 256 2HG1 ILE 34 1HG1 ILE 34 -5.316 -0.743 0.412 257 1HG2 ILE 34 1HG2 ILE 34 -8.836 -0.232 1.563 258 2HG2 ILE 34 2HG2 ILE 34 -8.967 1.388 0.880 259 3HG2 ILE 34 3HG2 ILE 34 -7.921 1.101 2.272 260 1HD1 ILE 34 1HD1 ILE 34 -4.950 -0.838 2.810 261 2HD1 ILE 34 2HD1 ILE 34 -6.448 0.051 3.079 262 3HD1 ILE 34 3HD1 ILE 34 -5.096 0.829 2.257 263 H GLU 35 H GLU 35 -10.039 -0.842 -1.305 264 HA GLU 35 HA GLU 35 -11.933 0.090 -2.150 265 1HB GLU 35 2HB GLU 35 -10.916 1.887 -0.304 266 2HB GLU 35 1HB GLU 35 -11.211 2.888 -1.717 267 1HG GLU 35 2HG GLU 35 -13.255 1.092 -0.427 268 2HG GLU 35 1HG GLU 35 -13.100 2.824 -0.137 269 H GLY 36 H GLY 36 -9.512 -0.192 -3.849 270 1HA GLY 36 2HA GLY 36 -9.521 0.020 -6.209 271 2HA GLY 36 1HA GLY 36 -10.477 1.485 -6.053 272 H PHE 37 H PHE 37 -8.531 2.341 -3.853 273 HA PHE 37 HA PHE 37 -6.852 3.862 -5.610 274 1HB PHE 37 2HB PHE 37 -7.878 4.681 -3.433 275 2HB PHE 37 1HB PHE 37 -6.658 3.725 -2.602 276 HD1 PHE 37 HD1 PHE 37 -7.169 6.549 -4.918 277 HD2 PHE 37 HD2 PHE 37 -4.452 4.509 -2.356 278 HE1 PHE 37 HE1 PHE 37 -5.584 8.419 -5.117 279 HE2 PHE 37 HE2 PHE 37 -2.862 6.374 -2.554 280 HZ PHE 37 HZ PHE 37 -3.426 8.333 -3.936 281 H VAL 38 H VAL 38 -4.779 3.523 -6.139 282 HA VAL 38 HA VAL 38 -3.646 0.955 -5.428 283 HB VAL 38 HB VAL 38 -2.643 3.048 -7.365 284 1HG1 VAL 38 1HG1 VAL 38 -1.260 1.218 -8.264 285 2HG1 VAL 38 2HG1 VAL 38 -1.784 0.192 -6.928 286 3HG1 VAL 38 3HG1 VAL 38 -0.831 1.642 -6.607 287 1HG2 VAL 38 1HG2 VAL 38 -4.801 2.140 -8.030 288 2HG2 VAL 38 2HG2 VAL 38 -4.181 0.499 -7.846 289 3HG2 VAL 38 3HG2 VAL 38 -3.524 1.554 -9.097 290 H ILE 39 H ILE 39 -2.279 0.681 -3.841 291 HA ILE 39 HA ILE 39 -0.478 2.885 -3.066 292 HB ILE 39 HB ILE 39 -1.298 0.515 -1.371 293 1HG1 ILE 39 2HG1 ILE 39 -2.279 3.368 -1.155 294 2HG1 ILE 39 1HG1 ILE 39 -3.197 2.068 -1.904 295 1HG2 ILE 39 1HG2 ILE 39 0.128 3.079 -0.665 296 2HG2 ILE 39 2HG2 ILE 39 0.868 1.484 -0.798 297 3HG2 ILE 39 3HG2 ILE 39 -0.322 1.801 0.464 298 1HD1 ILE 39 1HD1 ILE 39 -2.312 2.175 0.965 299 2HD1 ILE 39 2HD1 ILE 39 -3.227 0.866 0.217 300 3HD1 ILE 39 3HD1 ILE 39 -3.943 2.471 0.363 301 H PHE 40 H PHE 40 1.693 2.495 -3.201 302 HA PHE 40 HA PHE 40 2.455 -0.095 -4.326 303 1HB PHE 40 2HB PHE 40 3.908 2.554 -4.287 304 2HB PHE 40 1HB PHE 40 4.572 1.073 -4.960 305 HD1 PHE 40 HD1 PHE 40 2.264 3.827 -5.464 306 HD2 PHE 40 HD2 PHE 40 3.582 0.072 -6.973 307 HE1 PHE 40 HE1 PHE 40 1.180 4.312 -7.619 308 HE2 PHE 40 HE2 PHE 40 2.502 0.552 -9.130 309 HZ PHE 40 HZ PHE 40 1.300 2.675 -9.455 310 H VAL 41 H VAL 41 3.655 -1.511 -3.292 311 HA VAL 41 HA VAL 41 5.128 -0.688 -0.878 312 HB VAL 41 HB VAL 41 3.558 -3.266 -1.113 313 1HG1 VAL 41 1HG1 VAL 41 4.100 -3.522 1.272 314 2HG1 VAL 41 2HG1 VAL 41 5.069 -2.050 1.200 315 3HG1 VAL 41 3HG1 VAL 41 5.549 -3.470 0.270 316 1HG2 VAL 41 1HG2 VAL 41 2.933 -0.801 0.514 317 2HG2 VAL 41 2HG2 VAL 41 2.052 -2.329 0.575 318 3HG2 VAL 41 3HG2 VAL 41 2.043 -1.361 -0.902 319 HA PRO 42 HA PRO 42 7.994 -2.565 -3.878 320 1HB PRO 42 2HB PRO 42 9.987 -1.385 -2.046 321 2HB PRO 42 1HB PRO 42 9.789 -1.165 -3.787 322 1HG PRO 42 2HG PRO 42 9.144 0.775 -2.058 323 2HG PRO 42 1HG PRO 42 8.203 0.492 -3.534 324 1HD PRO 42 2HD PRO 42 7.579 -0.282 -0.711 325 2HD PRO 42 1HD PRO 42 6.499 0.339 -1.977 326 H GLY 43 H GLY 43 8.627 -4.617 -3.804 327 1HA GLY 43 2HA GLY 43 10.030 -6.348 -3.093 328 2HA GLY 43 1HA GLY 43 10.241 -5.523 -1.560 329 H THR 44 H THR 44 7.334 -6.691 -3.269 330 HA THR 44 HA THR 44 6.925 -8.609 -1.103 331 HB THR 44 HB THR 44 4.434 -7.979 -1.196 332 HG1 THR 44 HG1 THR 44 5.324 -5.399 -1.884 333 1HG2 THR 44 1HG2 THR 44 5.829 -7.554 0.766 334 2HG2 THR 44 2HG2 THR 44 4.692 -6.234 0.500 335 3HG2 THR 44 3HG2 THR 44 6.386 -6.040 0.053 336 H LYS 45 H LYS 45 4.711 -9.860 -1.756 337 HA LYS 45 HA LYS 45 4.821 -10.477 -4.626 338 1HB LYS 45 2HB LYS 45 6.175 -12.155 -3.472 339 2HB LYS 45 1HB LYS 45 4.867 -12.465 -2.340 340 1HG LYS 45 2HG LYS 45 3.496 -13.157 -4.368 341 2HG LYS 45 1HG LYS 45 5.022 -13.162 -5.250 342 1HD LYS 45 2HD LYS 45 4.680 -15.384 -4.547 343 2HD LYS 45 1HD LYS 45 5.900 -14.722 -3.462 344 1HE LYS 45 2HE LYS 45 2.970 -14.774 -2.767 345 2HE LYS 45 1HE LYS 45 4.045 -16.123 -2.415 346 1HZ LYS 45 1HZ LYS 45 4.328 -13.345 -1.385 347 2HZ LYS 45 2HZ LYS 45 5.411 -14.615 -1.084 348 3HZ LYS 45 3HZ LYS 45 3.823 -14.700 -0.500 349 H VAL 46 H VAL 46 2.858 -11.357 -5.474 350 HA VAL 46 HA VAL 46 0.446 -10.437 -4.394 351 HB VAL 46 HB VAL 46 0.760 -12.811 -6.243 352 1HG1 VAL 46 1HG1 VAL 46 -1.525 -10.873 -5.905 353 2HG1 VAL 46 2HG1 VAL 46 -1.475 -12.519 -5.275 354 3HG1 VAL 46 3HG1 VAL 46 -1.466 -12.243 -7.016 355 1HG2 VAL 46 1HG2 VAL 46 0.562 -11.236 -8.092 356 2HG2 VAL 46 2HG2 VAL 46 1.988 -10.891 -7.112 357 3HG2 VAL 46 3HG2 VAL 46 0.544 -9.888 -6.953 358 H GLY 47 H GLY 47 -0.567 -11.082 -2.627 359 1HA GLY 47 2HA GLY 47 -1.740 -12.922 -1.517 360 2HA GLY 47 1HA GLY 47 -0.320 -13.913 -1.826 361 H ASP 48 H ASP 48 1.277 -11.339 -1.104 362 HA ASP 48 HA ASP 48 1.774 -12.067 1.595 363 1HB ASP 48 2HB ASP 48 2.703 -9.836 -0.172 364 2HB ASP 48 1HB ASP 48 3.004 -9.738 1.558 365 H GLU 49 H GLU 49 0.486 -11.698 3.235 366 HA GLU 49 HA GLU 49 -1.084 -9.225 3.298 367 1HB GLU 49 2HB GLU 49 -1.837 -10.638 5.533 368 2HB GLU 49 1HB GLU 49 -2.682 -10.638 3.996 369 1HG GLU 49 2HG GLU 49 -2.438 -12.894 4.700 370 2HG GLU 49 1HG GLU 49 -1.352 -12.637 3.338 371 H VAL 50 H VAL 50 0.393 -7.730 3.877 372 HA VAL 50 HA VAL 50 1.823 -8.158 6.416 373 HB VAL 50 HB VAL 50 3.635 -6.713 5.554 374 1HG1 VAL 50 1HG1 VAL 50 3.897 -9.113 5.418 375 2HG1 VAL 50 2HG1 VAL 50 4.614 -8.350 3.998 376 3HG1 VAL 50 3HG1 VAL 50 3.044 -9.144 3.874 377 1HG2 VAL 50 1HG2 VAL 50 2.161 -6.909 2.931 378 2HG2 VAL 50 2HG2 VAL 50 3.766 -6.216 3.160 379 3HG2 VAL 50 3HG2 VAL 50 2.360 -5.453 3.904 380 H ARG 51 H ARG 51 2.553 -6.039 7.410 381 HA ARG 51 HA ARG 51 0.315 -4.142 7.241 382 1HB ARG 51 2HB ARG 51 2.410 -4.325 9.411 383 2HB ARG 51 1HB ARG 51 0.903 -3.414 9.455 384 1HG ARG 51 2HG ARG 51 -0.355 -5.506 9.373 385 2HG ARG 51 1HG ARG 51 1.160 -6.401 9.354 386 1HD ARG 51 2HD ARG 51 0.493 -6.470 11.588 387 2HD ARG 51 1HD ARG 51 1.685 -5.174 11.543 388 HE ARG 51 HE ARG 51 -0.965 -4.198 11.141 389 1HH1 ARG 51 1HH1 ARG 51 1.212 -5.367 13.625 390 2HH1 ARG 51 2HH1 ARG 51 0.487 -4.411 14.890 391 1HH2 ARG 51 1HH2 ARG 51 -1.931 -2.945 12.809 392 2HH2 ARG 51 2HH2 ARG 51 -1.292 -3.055 14.426 393 H ILE 52 H ILE 52 0.616 -2.180 6.489 394 HA ILE 52 HA ILE 52 3.383 -1.298 6.011 395 HB ILE 52 HB ILE 52 2.636 -0.293 3.859 396 1HG1 ILE 52 2HG1 ILE 52 0.525 -1.604 2.924 397 2HG1 ILE 52 1HG1 ILE 52 0.082 -1.656 4.623 398 1HG2 ILE 52 1HG2 ILE 52 3.855 -2.394 3.919 399 2HG2 ILE 52 2HG2 ILE 52 2.693 -2.375 2.593 400 3HG2 ILE 52 3HG2 ILE 52 2.338 -3.285 4.063 401 1HD1 ILE 52 1HD1 ILE 52 -0.963 0.209 3.459 402 2HD1 ILE 52 2HD1 ILE 52 0.628 0.836 3.027 403 3HD1 ILE 52 3HD1 ILE 52 0.134 0.772 4.719 404 H LYS 53 H LYS 53 3.774 0.901 6.071 405 HA LYS 53 HA LYS 53 1.571 2.524 7.145 406 1HB LYS 53 2HB LYS 53 3.556 2.514 8.577 407 2HB LYS 53 1HB LYS 53 4.560 3.009 7.219 408 1HG LYS 53 2HG LYS 53 3.035 5.066 7.090 409 2HG LYS 53 1HG LYS 53 2.497 4.601 8.703 410 1HD LYS 53 2HD LYS 53 4.738 4.789 9.556 411 2HD LYS 53 1HD LYS 53 5.371 5.083 7.936 412 1HE LYS 53 2HE LYS 53 3.882 7.113 7.863 413 2HE LYS 53 1HE LYS 53 3.597 6.858 9.586 414 1HZ LYS 53 1HZ LYS 53 5.349 8.415 9.398 415 2HZ LYS 53 2HZ LYS 53 6.161 7.481 8.236 416 3HZ LYS 53 3HZ LYS 53 6.078 6.949 9.843 417 H VAL 54 H VAL 54 0.578 3.741 5.663 418 HA VAL 54 HA VAL 54 1.797 4.486 3.193 419 HB VAL 54 HB VAL 54 -0.646 5.633 4.572 420 1HG1 VAL 54 1HG1 VAL 54 -1.188 6.592 2.360 421 2HG1 VAL 54 2HG1 VAL 54 0.389 6.068 1.769 422 3HG1 VAL 54 3HG1 VAL 54 0.284 7.273 3.050 423 1HG2 VAL 54 1HG2 VAL 54 -0.366 3.649 2.317 424 2HG2 VAL 54 2HG2 VAL 54 -1.886 4.326 2.900 425 3HG2 VAL 54 3HG2 VAL 54 -0.915 3.302 3.957 426 H GLU 55 H GLU 55 3.475 5.735 3.149 427 HA GLU 55 HA GLU 55 4.133 7.388 5.427 428 1HB GLU 55 2HB GLU 55 5.727 5.804 4.308 429 2HB GLU 55 1HB GLU 55 5.704 6.852 2.901 430 1HG GLU 55 2HG GLU 55 7.673 7.227 4.236 431 2HG GLU 55 1HG GLU 55 6.648 8.659 4.221 432 H ARG 56 H ARG 56 3.322 7.727 2.037 433 HA ARG 56 HA ARG 56 2.660 10.503 2.414 434 1HB ARG 56 2HB ARG 56 4.103 11.308 0.575 435 2HB ARG 56 1HB ARG 56 5.028 10.732 1.953 436 1HG ARG 56 2HG ARG 56 5.238 8.536 0.689 437 2HG ARG 56 1HG ARG 56 4.646 9.425 -0.718 438 1HD ARG 56 2HD ARG 56 7.082 9.369 -0.690 439 2HD ARG 56 1HD ARG 56 6.488 11.018 -0.484 440 HE ARG 56 HE ARG 56 7.028 10.850 1.863 441 1HH1 ARG 56 1HH1 ARG 56 8.373 8.377 -0.220 442 2HH1 ARG 56 2HH1 ARG 56 9.611 7.912 0.915 443 1HH2 ARG 56 1HH2 ARG 56 8.640 10.264 3.350 444 2HH2 ARG 56 2HH2 ARG 56 9.753 8.979 2.967 445 H VAL 57 H VAL 57 1.355 11.326 0.732 446 HA VAL 57 HA VAL 57 0.424 9.273 -1.157 447 HB VAL 57 HB VAL 57 -1.841 10.252 -1.020 448 1HG1 VAL 57 1HG1 VAL 57 -0.720 9.318 1.620 449 2HG1 VAL 57 2HG1 VAL 57 -1.314 8.295 0.313 450 3HG1 VAL 57 3HG1 VAL 57 -2.430 9.345 1.186 451 1HG2 VAL 57 1HG2 VAL 57 -1.294 12.500 -0.299 452 2HG2 VAL 57 2HG2 VAL 57 -0.683 11.887 1.237 453 3HG2 VAL 57 3HG2 VAL 57 -2.399 11.753 0.854 454 H LEU 58 H LEU 58 0.163 9.840 -3.225 455 HA LEU 58 HA LEU 58 0.641 12.651 -3.945 456 1HB LEU 58 2HB LEU 58 1.127 10.106 -5.505 457 2HB LEU 58 1HB LEU 58 1.195 11.702 -6.227 458 HG LEU 58 HG LEU 58 3.004 12.215 -4.465 459 1HD1 LEU 58 1HD1 LEU 58 3.024 9.204 -4.354 460 2HD1 LEU 58 2HD1 LEU 58 2.658 10.304 -3.024 461 3HD1 LEU 58 3HD1 LEU 58 4.282 10.261 -3.710 462 1HD2 LEU 58 1HD2 LEU 58 3.546 10.236 -6.669 463 2HD2 LEU 58 2HD2 LEU 58 4.747 11.259 -5.883 464 3HD2 LEU 58 3HD2 LEU 58 3.458 11.988 -6.840 465 HA PRO 59 HA PRO 59 -3.437 13.171 -5.417 466 1HB PRO 59 2HB PRO 59 -2.377 14.017 -8.057 467 2HB PRO 59 1HB PRO 59 -3.439 14.878 -6.938 468 1HG PRO 59 2HG PRO 59 -0.887 15.581 -7.174 469 2HG PRO 59 1HG PRO 59 -1.676 15.559 -5.584 470 1HD PRO 59 2HD PRO 59 0.212 13.574 -6.789 471 2HD PRO 59 1HD PRO 59 0.128 14.184 -5.122 472 H LYS 60 H LYS 60 -1.527 10.815 -6.882 473 HA LYS 60 HA LYS 60 -3.879 9.792 -8.309 474 1HB LYS 60 2HB LYS 60 -2.234 10.817 -9.892 475 2HB LYS 60 1HB LYS 60 -1.065 9.605 -9.388 476 1HG LYS 60 2HG LYS 60 -2.422 7.840 -10.269 477 2HG LYS 60 1HG LYS 60 -3.740 8.962 -10.611 478 1HD LYS 60 2HD LYS 60 -2.285 10.144 -12.212 479 2HD LYS 60 1HD LYS 60 -1.009 8.966 -11.895 480 1HE LYS 60 2HE LYS 60 -2.403 7.179 -12.753 481 2HE LYS 60 1HE LYS 60 -3.745 8.300 -12.979 482 1HZ LYS 60 1HZ LYS 60 -1.138 8.365 -14.407 483 2HZ LYS 60 2HZ LYS 60 -2.368 9.520 -14.583 484 3HZ LYS 60 3HZ LYS 60 -2.635 7.914 -15.065 485 H PHE 61 H PHE 61 -1.321 9.167 -6.129 486 HA PHE 61 HA PHE 61 -2.156 6.506 -5.625 487 1HB PHE 61 2HB PHE 61 -0.077 5.332 -6.308 488 2HB PHE 61 1HB PHE 61 -0.982 5.968 -7.677 489 HD1 PHE 61 HD1 PHE 61 2.063 6.292 -5.668 490 HD2 PHE 61 HD2 PHE 61 -0.094 7.745 -9.041 491 HE1 PHE 61 HE1 PHE 61 4.088 7.430 -6.470 492 HE2 PHE 61 HE2 PHE 61 1.931 8.885 -9.847 493 HZ PHE 61 HZ PHE 61 4.025 8.729 -8.560 494 H ALA 62 H ALA 62 -0.794 5.444 -3.952 495 HA ALA 62 HA ALA 62 0.509 7.506 -2.294 496 1HB ALA 62 1HB ALA 62 -0.237 6.220 -0.331 497 2HB ALA 62 2HB ALA 62 -1.076 5.099 -1.405 498 3HB ALA 62 3HB ALA 62 -1.584 6.786 -1.318 499 H PHE 63 H PHE 63 2.279 6.902 -1.005 500 HA PHE 63 HA PHE 63 3.699 4.491 -1.941 501 1HB PHE 63 2HB PHE 63 4.740 6.757 -2.444 502 2HB PHE 63 1HB PHE 63 4.930 6.967 -0.709 503 HD1 PHE 63 HD1 PHE 63 5.941 4.904 -3.591 504 HD2 PHE 63 HD2 PHE 63 6.711 5.959 0.461 505 HE1 PHE 63 HE1 PHE 63 8.091 3.710 -3.691 506 HE2 PHE 63 HE2 PHE 63 8.861 4.769 0.369 507 HZ PHE 63 HZ PHE 63 9.553 3.643 -1.708 508 H ALA 64 H ALA 64 4.178 2.963 -0.444 509 HA ALA 64 HA ALA 64 3.856 3.720 2.386 510 1HB ALA 64 1HB ALA 64 2.812 1.203 1.093 511 2HB ALA 64 2HB ALA 64 1.838 2.574 1.623 512 3HB ALA 64 3HB ALA 64 2.714 1.603 2.807 513 H SER 65 H SER 65 5.082 2.623 3.881 514 HA SER 65 HA SER 65 7.262 0.979 2.782 515 1HB SER 65 2HB SER 65 7.933 3.105 3.941 516 2HB SER 65 1HB SER 65 7.206 2.480 5.418 517 HG SER 65 HG SER 65 9.089 0.878 4.095 518 H VAL 66 H VAL 66 7.569 -1.062 3.575 519 HA VAL 66 HA VAL 66 5.326 -2.179 5.018 520 HB VAL 66 HB VAL 66 6.130 -3.417 3.109 521 1HG1 VAL 66 1HG1 VAL 66 8.766 -3.638 4.552 522 2HG1 VAL 66 2HG1 VAL 66 8.449 -2.701 3.091 523 3HG1 VAL 66 3HG1 VAL 66 8.340 -4.462 3.050 524 1HG2 VAL 66 1HG2 VAL 66 6.766 -4.848 5.683 525 2HG2 VAL 66 2HG2 VAL 66 6.480 -5.624 4.127 526 3HG2 VAL 66 3HG2 VAL 66 5.184 -4.723 4.914 527 H VAL 67 H VAL 67 5.241 -2.528 7.117 528 HA VAL 67 HA VAL 67 7.739 -2.363 8.663 529 HB VAL 67 HB VAL 67 6.329 -1.752 10.600 530 1HG1 VAL 67 1HG1 VAL 67 7.346 0.004 9.290 531 2HG1 VAL 67 2HG1 VAL 67 5.749 0.516 9.832 532 3HG1 VAL 67 3HG1 VAL 67 5.989 -0.008 8.165 533 1HG2 VAL 67 1HG2 VAL 67 3.990 -1.110 10.255 534 2HG2 VAL 67 2HG2 VAL 67 4.247 -2.825 9.937 535 3HG2 VAL 67 3HG2 VAL 67 4.076 -1.695 8.593 536 H GLU 68 H GLU 68 6.628 -4.703 7.319 537 HA GLU 68 HA GLU 68 6.677 -6.944 7.643 538 1HB GLU 68 2HB GLU 68 7.257 -6.360 10.552 539 2HB GLU 68 1HB GLU 68 7.524 -7.879 9.709 540 1HG GLU 68 2HG GLU 68 9.257 -6.891 8.371 541 2HG GLU 68 1HG GLU 68 8.920 -5.298 9.047 Start of MODEL 6 1 1H MET 1 1HT MET 1 -24.221 22.305 3.819 2 2H MET 1 2HT MET 1 -25.113 21.739 5.146 3 3H MET 1 3HT MET 1 -24.659 20.674 3.912 4 HA MET 1 HA MET 1 -22.836 22.086 5.762 5 1HB MET 1 2HB MET 1 -24.032 20.274 6.868 6 2HB MET 1 1HB MET 1 -23.624 19.170 5.560 7 1HG MET 1 2HG MET 1 -21.262 19.360 6.128 8 2HG MET 1 1HG MET 1 -21.662 20.478 7.431 9 1HE MET 1 1HE MET 1 -20.210 18.850 9.043 10 2HE MET 1 2HE MET 1 -19.937 17.749 7.693 11 3HE MET 1 3HE MET 1 -20.552 17.129 9.226 12 H PHE 2 H PHE 2 -21.242 22.758 4.464 13 HA PHE 2 HA PHE 2 -19.593 20.732 3.247 14 1HB PHE 2 2HB PHE 2 -21.099 21.264 1.386 15 2HB PHE 2 1HB PHE 2 -20.721 22.975 1.553 16 HD1 PHE 2 HD1 PHE 2 -18.981 23.897 0.321 17 HD2 PHE 2 HD2 PHE 2 -19.112 19.684 0.903 18 HE1 PHE 2 HE1 PHE 2 -17.086 23.629 -1.223 19 HE2 PHE 2 HE2 PHE 2 -17.213 19.410 -0.638 20 HZ PHE 2 HZ PHE 2 -16.198 21.385 -1.705 21 H ARG 3 H ARG 3 -17.896 21.220 4.480 22 HA ARG 3 HA ARG 3 -16.542 23.744 3.913 23 1HB ARG 3 2HB ARG 3 -17.187 22.754 6.687 24 2HB ARG 3 1HB ARG 3 -15.851 23.849 6.374 25 1HG ARG 3 2HG ARG 3 -17.534 25.415 5.340 26 2HG ARG 3 1HG ARG 3 -18.786 24.357 6.000 27 1HD ARG 3 2HD ARG 3 -16.621 25.711 7.606 28 2HD ARG 3 1HD ARG 3 -18.285 26.274 7.472 29 HE ARG 3 HE ARG 3 -18.997 24.387 8.726 30 1HH1 ARG 3 1HH1 ARG 3 -15.500 24.626 8.457 31 2HH1 ARG 3 2HH1 ARG 3 -15.205 23.653 9.870 32 1HH2 ARG 3 1HH2 ARG 3 -18.606 23.131 10.572 33 2HH2 ARG 3 2HH2 ARG 3 -16.981 22.791 11.075 34 H GLU 4 H GLU 4 -14.770 22.961 2.953 35 HA GLU 4 HA GLU 4 -12.744 21.983 2.710 36 1HB GLU 4 2HB GLU 4 -12.462 22.996 4.982 37 2HB GLU 4 1HB GLU 4 -12.912 21.447 5.677 38 1HG GLU 4 2HG GLU 4 -10.955 20.405 4.850 39 2HG GLU 4 1HG GLU 4 -10.574 21.791 3.823 40 H GLU 5 H GLU 5 -14.053 20.429 1.518 41 HA GLU 5 HA GLU 5 -14.874 18.391 0.948 42 1HB GLU 5 2HB GLU 5 -13.211 16.632 0.977 43 2HB GLU 5 1HB GLU 5 -12.465 18.168 0.578 44 1HG GLU 5 2HG GLU 5 -11.481 18.336 2.739 45 2HG GLU 5 1HG GLU 5 -12.399 16.949 3.327 46 H SER 6 H SER 6 -14.329 15.835 2.101 47 HA SER 6 HA SER 6 -15.673 15.969 4.706 48 1HB SER 6 2HB SER 6 -16.370 13.946 2.560 49 2HB SER 6 1HB SER 6 -17.181 14.186 4.105 50 HG SER 6 HG SER 6 -17.403 16.483 3.097 51 H ARG 7 H ARG 7 -14.176 13.752 2.374 52 HA ARG 7 HA ARG 7 -11.997 13.038 3.969 53 1HB ARG 7 2HB ARG 7 -12.649 10.647 4.439 54 2HB ARG 7 1HB ARG 7 -13.475 11.845 5.423 55 1HG ARG 7 2HG ARG 7 -15.452 11.661 3.986 56 2HG ARG 7 1HG ARG 7 -14.621 10.448 3.010 57 1HD ARG 7 2HD ARG 7 -16.114 9.364 4.575 58 2HD ARG 7 1HD ARG 7 -14.440 9.006 4.996 59 HE ARG 7 HE ARG 7 -14.691 10.784 6.739 60 1HH1 ARG 7 1HH1 ARG 7 -17.514 9.126 5.474 61 2HH1 ARG 7 2HH1 ARG 7 -18.429 9.307 6.946 62 1HH2 ARG 7 1HH2 ARG 7 -15.883 11.037 8.650 63 2HH2 ARG 7 2HH2 ARG 7 -17.508 10.421 8.756 64 H SER 8 H SER 8 -11.473 13.713 1.708 65 HA SER 8 HA SER 8 -12.161 11.842 -0.396 66 1HB SER 8 2HB SER 8 -10.366 14.266 -0.553 67 2HB SER 8 1HB SER 8 -11.157 13.437 -1.894 68 HG SER 8 HG SER 8 -12.126 15.471 -0.873 69 H VAL 9 H VAL 9 -10.329 11.083 1.843 70 HA VAL 9 HA VAL 9 -8.186 10.029 0.153 71 HB VAL 9 HB VAL 9 -6.617 10.249 2.161 72 1HG1 VAL 9 1HG1 VAL 9 -6.345 11.561 0.132 73 2HG1 VAL 9 2HG1 VAL 9 -5.967 12.531 1.554 74 3HG1 VAL 9 3HG1 VAL 9 -7.509 12.746 0.727 75 1HG2 VAL 9 1HG2 VAL 9 -7.077 12.115 3.690 76 2HG2 VAL 9 2HG2 VAL 9 -8.271 10.829 3.850 77 3HG2 VAL 9 3HG2 VAL 9 -8.676 12.300 2.969 78 HA PRO 10 HA PRO 10 -9.771 6.318 2.166 79 1HB PRO 10 2HB PRO 10 -7.827 5.034 0.364 80 2HB PRO 10 1HB PRO 10 -9.570 4.783 0.491 81 1HG PRO 10 2HG PRO 10 -8.479 6.043 -1.616 82 2HG PRO 10 1HG PRO 10 -10.060 6.512 -0.962 83 1HD PRO 10 2HD PRO 10 -7.388 7.813 -0.570 84 2HD PRO 10 1HD PRO 10 -8.976 8.560 -0.848 85 H VAL 11 H VAL 11 -6.462 7.257 1.520 86 HA VAL 11 HA VAL 11 -5.651 6.093 4.083 87 HB VAL 11 HB VAL 11 -3.425 5.547 3.117 88 1HG1 VAL 11 1HG1 VAL 11 -5.091 3.795 3.371 89 2HG1 VAL 11 2HG1 VAL 11 -4.104 3.516 1.937 90 3HG1 VAL 11 3HG1 VAL 11 -5.738 4.160 1.771 91 1HG2 VAL 11 1HG2 VAL 11 -3.445 7.069 1.218 92 2HG2 VAL 11 2HG2 VAL 11 -4.752 6.149 0.474 93 3HG2 VAL 11 3HG2 VAL 11 -3.162 5.414 0.679 94 H GLU 12 H GLU 12 -3.928 7.252 5.121 95 HA GLU 12 HA GLU 12 -3.557 9.965 4.044 96 1HB GLU 12 2HB GLU 12 -5.069 9.305 6.275 97 2HB GLU 12 1HB GLU 12 -3.536 9.838 6.953 98 1HG GLU 12 2HG GLU 12 -5.164 11.413 4.973 99 2HG GLU 12 1HG GLU 12 -5.226 11.636 6.721 100 H GLU 13 H GLU 13 -1.674 11.075 4.758 101 HA GLU 13 HA GLU 13 0.645 9.458 4.687 102 1HB GLU 13 2HB GLU 13 0.403 12.378 5.428 103 2HB GLU 13 1HB GLU 13 1.876 11.546 4.945 104 1HG GLU 13 2HG GLU 13 0.937 11.122 2.749 105 2HG GLU 13 1HG GLU 13 -0.559 11.926 3.224 106 H GLY 14 H GLY 14 1.613 8.405 6.264 107 1HA GLY 14 2HA GLY 14 2.711 8.246 8.338 108 2HA GLY 14 1HA GLY 14 1.752 9.594 8.933 109 H GLU 15 H GLU 15 0.163 7.048 7.244 110 HA GLU 15 HA GLU 15 -0.973 6.136 9.811 111 1HB GLU 15 2HB GLU 15 -2.276 6.291 7.095 112 2HB GLU 15 1HB GLU 15 -3.005 5.528 8.496 113 1HG GLU 15 2HG GLU 15 -2.182 8.416 8.397 114 2HG GLU 15 1HG GLU 15 -3.808 7.834 8.044 115 H VAL 16 H VAL 16 -1.862 3.872 9.693 116 HA VAL 16 HA VAL 16 -0.118 2.183 8.041 117 HB VAL 16 HB VAL 16 0.877 2.383 10.290 118 1HG1 VAL 16 1HG1 VAL 16 -1.666 1.100 11.264 119 2HG1 VAL 16 2HG1 VAL 16 -1.127 2.744 11.603 120 3HG1 VAL 16 3HG1 VAL 16 -0.213 1.370 12.226 121 1HG2 VAL 16 1HG2 VAL 16 1.302 0.384 9.045 122 2HG2 VAL 16 2HG2 VAL 16 -0.218 -0.330 9.588 123 3HG2 VAL 16 3HG2 VAL 16 1.085 -0.041 10.743 124 H TYR 17 H TYR 17 -1.086 0.468 7.137 125 HA TYR 17 HA TYR 17 -3.777 -0.286 8.058 126 1HB TYR 17 2HB TYR 17 -3.055 0.209 5.154 127 2HB TYR 17 1HB TYR 17 -4.627 -0.283 5.775 128 HD1 TYR 17 HD1 TYR 17 -6.068 1.342 6.932 129 HD2 TYR 17 HD2 TYR 17 -2.318 2.500 5.284 130 HE1 TYR 17 HE1 TYR 17 -6.728 3.707 7.094 131 HE2 TYR 17 HE2 TYR 17 -2.971 4.864 5.445 132 HH TYR 17 HH TYR 17 -5.691 5.906 7.209 133 H ASP 18 H ASP 18 -4.406 -2.417 7.469 134 HA ASP 18 HA ASP 18 -2.190 -4.171 6.747 135 1HB ASP 18 2HB ASP 18 -3.669 -6.017 7.379 136 2HB ASP 18 1HB ASP 18 -3.580 -4.829 8.671 137 H VAL 19 H VAL 19 -1.944 -4.947 4.741 138 HA VAL 19 HA VAL 19 -4.209 -4.723 2.880 139 HB VAL 19 HB VAL 19 -2.708 -3.844 1.137 140 1HG1 VAL 19 1HG1 VAL 19 -2.816 -2.170 3.640 141 2HG1 VAL 19 2HG1 VAL 19 -4.065 -2.287 2.401 142 3HG1 VAL 19 3HG1 VAL 19 -2.507 -1.558 2.016 143 1HG2 VAL 19 1HG2 VAL 19 -0.694 -3.630 3.374 144 2HG2 VAL 19 2HG2 VAL 19 -0.509 -2.938 1.762 145 3HG2 VAL 19 3HG2 VAL 19 -0.587 -4.688 1.968 146 H THR 20 H THR 20 -4.084 -6.030 1.032 147 HA THR 20 HA THR 20 -2.134 -8.227 1.175 148 HB THR 20 HB THR 20 -4.855 -8.213 -0.164 149 HG1 THR 20 HG1 THR 20 -4.648 -10.007 1.808 150 1HG2 THR 20 1HG2 THR 20 -4.480 -10.639 -0.388 151 2HG2 THR 20 2HG2 THR 20 -2.857 -10.437 0.273 152 3HG2 THR 20 3HG2 THR 20 -3.280 -9.701 -1.274 153 H ILE 21 H ILE 21 -0.632 -8.216 -0.376 154 HA ILE 21 HA ILE 21 -0.750 -6.452 -2.616 155 HB ILE 21 HB ILE 21 1.074 -8.829 -2.187 156 1HG1 ILE 21 2HG1 ILE 21 1.318 -7.237 -0.366 157 2HG1 ILE 21 1HG1 ILE 21 2.719 -7.123 -1.426 158 1HG2 ILE 21 1HG2 ILE 21 1.335 -6.461 -4.032 159 2HG2 ILE 21 2HG2 ILE 21 0.983 -8.121 -4.515 160 3HG2 ILE 21 3HG2 ILE 21 2.548 -7.721 -3.801 161 1HD1 ILE 21 1HD1 ILE 21 0.366 -5.248 -1.442 162 2HD1 ILE 21 2HD1 ILE 21 1.812 -5.121 -2.443 163 3HD1 ILE 21 3HD1 ILE 21 1.932 -4.931 -0.693 164 H GLN 22 H GLN 22 -2.494 -6.837 -3.887 165 HA GLN 22 HA GLN 22 -3.183 -9.550 -4.649 166 1HB GLN 22 2HB GLN 22 -4.937 -7.909 -4.053 167 2HB GLN 22 1HB GLN 22 -4.467 -6.924 -5.431 168 1HG GLN 22 2HG GLN 22 -6.447 -8.212 -5.935 169 2HG GLN 22 1HG GLN 22 -5.099 -8.736 -6.943 170 1HE2 GLN 22 1HE2 GLN 22 -4.185 -10.769 -6.592 171 2HE2 GLN 22 2HE2 GLN 22 -5.000 -11.990 -5.676 172 H ASP 23 H ASP 23 -1.751 -6.686 -6.036 173 HA ASP 23 HA ASP 23 -1.228 -8.200 -8.507 174 1HB ASP 23 2HB ASP 23 -2.950 -6.446 -8.889 175 2HB ASP 23 1HB ASP 23 -1.819 -5.231 -8.304 176 H ILE 24 H ILE 24 0.721 -7.386 -9.656 177 HA ILE 24 HA ILE 24 2.512 -5.784 -8.039 178 HB ILE 24 HB ILE 24 2.927 -8.369 -7.715 179 1HG1 ILE 24 2HG1 ILE 24 5.218 -6.536 -8.427 180 2HG1 ILE 24 1HG1 ILE 24 4.339 -6.476 -6.904 181 1HG2 ILE 24 1HG2 ILE 24 2.992 -8.861 -10.149 182 2HG2 ILE 24 2HG2 ILE 24 4.444 -9.368 -9.286 183 3HG2 ILE 24 3HG2 ILE 24 4.467 -7.900 -10.263 184 1HD1 ILE 24 1HD1 ILE 24 5.080 -8.724 -6.371 185 2HD1 ILE 24 2HD1 ILE 24 6.454 -7.670 -6.701 186 3HD1 ILE 24 3HD1 ILE 24 5.918 -8.828 -7.919 187 H ALA 25 H ALA 25 3.636 -4.394 -9.283 188 HA ALA 25 HA ALA 25 2.786 -4.199 -12.018 189 1HB ALA 25 1HB ALA 25 3.015 -2.239 -10.552 190 2HB ALA 25 2HB ALA 25 3.968 -2.092 -12.030 191 3HB ALA 25 3HB ALA 25 4.759 -2.499 -10.507 192 H ARG 26 H ARG 26 4.343 -3.848 -13.804 193 HA ARG 26 HA ARG 26 6.206 -5.997 -13.946 194 1HB ARG 26 2HB ARG 26 4.883 -4.881 -15.843 195 2HB ARG 26 1HB ARG 26 6.116 -3.631 -15.811 196 1HG ARG 26 2HG ARG 26 7.811 -5.170 -16.446 197 2HG ARG 26 1HG ARG 26 6.726 -6.546 -16.222 198 1HD ARG 26 2HD ARG 26 6.420 -4.360 -18.278 199 2HD ARG 26 1HD ARG 26 6.985 -6.001 -18.588 200 HE ARG 26 HE ARG 26 4.753 -6.775 -17.954 201 1HH1 ARG 26 1HH1 ARG 26 5.137 -3.395 -18.760 202 2HH1 ARG 26 2HH1 ARG 26 3.457 -3.162 -19.159 203 1HH2 ARG 26 1HH2 ARG 26 2.538 -6.492 -18.502 204 2HH2 ARG 26 2HH2 ARG 26 1.980 -4.923 -19.013 205 H GLN 27 H GLN 27 6.344 -2.866 -12.724 206 HA GLN 27 HA GLN 27 9.148 -2.395 -12.859 207 1HB GLN 27 2HB GLN 27 7.438 -0.641 -12.449 208 2HB GLN 27 1HB GLN 27 7.083 -1.375 -10.895 209 1HG GLN 27 2HG GLN 27 9.315 -0.856 -10.109 210 2HG GLN 27 1HG GLN 27 9.733 -0.188 -11.688 211 1HE2 GLN 27 1HE2 GLN 27 10.202 1.827 -10.770 212 2HE2 GLN 27 2HE2 GLN 27 8.954 2.895 -10.234 213 H GLY 28 H GLY 28 7.157 -4.499 -11.065 214 1HA GLY 28 2HA GLY 28 7.889 -6.291 -9.778 215 2HA GLY 28 1HA GLY 28 9.470 -5.549 -9.660 216 H ASP 29 H ASP 29 6.837 -3.506 -8.915 217 HA ASP 29 HA ASP 29 7.433 -3.807 -6.056 218 1HB ASP 29 2HB ASP 29 6.304 -1.469 -7.601 219 2HB ASP 29 1HB ASP 29 6.374 -1.529 -5.843 220 H GLY 30 H GLY 30 5.783 -4.017 -4.568 221 1HA GLY 30 2HA GLY 30 3.595 -5.581 -5.478 222 2HA GLY 30 1HA GLY 30 3.875 -5.050 -3.828 223 H ILE 31 H ILE 31 1.539 -5.083 -5.872 224 HA ILE 31 HA ILE 31 0.770 -2.261 -5.617 225 HB ILE 31 HB ILE 31 -0.323 -4.408 -7.448 226 1HG1 ILE 31 2HG1 ILE 31 1.890 -3.609 -8.118 227 2HG1 ILE 31 1HG1 ILE 31 0.663 -3.049 -9.248 228 1HG2 ILE 31 1HG2 ILE 31 -2.082 -2.870 -6.773 229 2HG2 ILE 31 2HG2 ILE 31 -1.656 -2.622 -8.466 230 3HG2 ILE 31 3HG2 ILE 31 -1.079 -1.495 -7.238 231 1HD1 ILE 31 1HD1 ILE 31 0.690 -0.853 -8.168 232 2HD1 ILE 31 2HD1 ILE 31 2.276 -1.308 -8.789 233 3HD1 ILE 31 3HD1 ILE 31 1.940 -1.422 -7.061 234 H ALA 32 H ALA 32 -0.329 -1.948 -3.824 235 HA ALA 32 HA ALA 32 -2.354 -3.909 -3.004 236 1HB ALA 32 1HB ALA 32 -0.799 -3.227 -1.262 237 2HB ALA 32 2HB ALA 32 -2.425 -2.650 -0.891 238 3HB ALA 32 3HB ALA 32 -1.215 -1.533 -1.528 239 H ARG 33 H ARG 33 -4.521 -3.226 -2.661 240 HA ARG 33 HA ARG 33 -5.204 -0.571 -3.676 241 1HB ARG 33 2HB ARG 33 -7.162 -1.663 -4.907 242 2HB ARG 33 1HB ARG 33 -5.570 -1.791 -5.638 243 1HG ARG 33 2HG ARG 33 -5.347 -4.055 -4.968 244 2HG ARG 33 1HG ARG 33 -6.770 -3.953 -3.931 245 1HD ARG 33 2HD ARG 33 -6.910 -3.516 -6.902 246 2HD ARG 33 1HD ARG 33 -7.043 -5.118 -6.175 247 HE ARG 33 HE ARG 33 -8.883 -2.923 -5.463 248 1HH1 ARG 33 1HH1 ARG 33 -8.278 -6.178 -6.565 249 2HH1 ARG 33 2HH1 ARG 33 -9.936 -6.682 -6.411 250 1HH2 ARG 33 1HH2 ARG 33 -11.086 -3.560 -5.280 251 2HH2 ARG 33 2HH2 ARG 33 -11.527 -5.199 -5.678 252 H ILE 34 H ILE 34 -6.243 0.380 -2.098 253 HA ILE 34 HA ILE 34 -8.089 -1.218 -0.462 254 HB ILE 34 HB ILE 34 -6.848 1.473 0.113 255 1HG1 ILE 34 2HG1 ILE 34 -6.520 -1.268 1.344 256 2HG1 ILE 34 1HG1 ILE 34 -5.316 -0.374 0.422 257 1HG2 ILE 34 1HG2 ILE 34 -7.990 1.370 2.278 258 2HG2 ILE 34 2HG2 ILE 34 -8.797 -0.119 1.786 259 3HG2 ILE 34 3HG2 ILE 34 -9.151 1.393 0.950 260 1HD1 ILE 34 1HD1 ILE 34 -4.848 -0.295 2.796 261 2HD1 ILE 34 2HD1 ILE 34 -6.438 0.410 3.092 262 3HD1 ILE 34 3HD1 ILE 34 -5.230 1.312 2.176 263 H GLU 35 H GLU 35 -9.983 -1.232 -1.285 264 HA GLU 35 HA GLU 35 -11.913 -0.657 -2.338 265 1HB GLU 35 2HB GLU 35 -11.320 1.596 -0.486 266 2HB GLU 35 1HB GLU 35 -12.650 1.793 -1.620 267 1HG GLU 35 2HG GLU 35 -13.340 0.935 0.595 268 2HG GLU 35 1HG GLU 35 -13.776 -0.118 -0.748 269 H GLY 36 H GLY 36 -9.405 -0.037 -3.790 270 1HA GLY 36 2HA GLY 36 -9.727 0.502 -6.178 271 2HA GLY 36 1HA GLY 36 -10.558 1.953 -5.640 272 H PHE 37 H PHE 37 -8.589 2.454 -3.493 273 HA PHE 37 HA PHE 37 -6.809 4.015 -5.116 274 1HB PHE 37 2HB PHE 37 -7.834 4.615 -2.801 275 2HB PHE 37 1HB PHE 37 -6.491 3.684 -2.145 276 HD1 PHE 37 HD1 PHE 37 -4.209 4.496 -2.330 277 HD2 PHE 37 HD2 PHE 37 -7.476 6.715 -3.918 278 HE1 PHE 37 HE1 PHE 37 -2.761 6.473 -2.549 279 HE2 PHE 37 HE2 PHE 37 -6.031 8.693 -4.138 280 HZ PHE 37 HZ PHE 37 -3.670 8.573 -3.453 281 H VAL 38 H VAL 38 -4.841 3.507 -5.788 282 HA VAL 38 HA VAL 38 -3.792 0.897 -5.091 283 HB VAL 38 HB VAL 38 -3.924 1.412 -7.443 284 1HG1 VAL 38 1HG1 VAL 38 -2.088 3.735 -6.884 285 2HG1 VAL 38 2HG1 VAL 38 -3.792 3.836 -7.332 286 3HG1 VAL 38 3HG1 VAL 38 -2.616 3.192 -8.478 287 1HG2 VAL 38 1HG2 VAL 38 -2.079 -0.014 -6.768 288 2HG2 VAL 38 2HG2 VAL 38 -1.058 1.398 -6.501 289 3HG2 VAL 38 3HG2 VAL 38 -1.600 0.998 -8.131 290 H ILE 39 H ILE 39 -1.985 0.493 -3.987 291 HA ILE 39 HA ILE 39 -0.314 2.770 -3.125 292 HB ILE 39 HB ILE 39 -0.903 0.304 -1.473 293 1HG1 ILE 39 2HG1 ILE 39 -2.044 3.093 -1.177 294 2HG1 ILE 39 1HG1 ILE 39 -2.935 1.688 -1.745 295 1HG2 ILE 39 1HG2 ILE 39 0.129 1.590 0.340 296 2HG2 ILE 39 2HG2 ILE 39 0.457 2.908 -0.786 297 3HG2 ILE 39 3HG2 ILE 39 1.243 1.344 -1.004 298 1HD1 ILE 39 1HD1 ILE 39 -2.632 0.614 0.420 299 2HD1 ILE 39 2HD1 ILE 39 -3.435 2.178 0.579 300 3HD1 ILE 39 3HD1 ILE 39 -1.728 2.016 0.990 301 H PHE 40 H PHE 40 1.822 2.533 -3.486 302 HA PHE 40 HA PHE 40 2.767 0.014 -4.624 303 1HB PHE 40 2HB PHE 40 3.916 2.796 -4.521 304 2HB PHE 40 1HB PHE 40 4.888 1.415 -5.014 305 HD1 PHE 40 HD1 PHE 40 4.883 0.715 -7.213 306 HD2 PHE 40 HD2 PHE 40 1.733 3.215 -5.826 307 HE1 PHE 40 HE1 PHE 40 4.049 0.933 -9.517 308 HE2 PHE 40 HE2 PHE 40 0.893 3.439 -8.128 309 HZ PHE 40 HZ PHE 40 2.052 2.299 -9.977 310 H VAL 41 H VAL 41 3.701 -1.441 -3.385 311 HA VAL 41 HA VAL 41 5.224 -0.524 -1.032 312 HB VAL 41 HB VAL 41 3.807 -3.184 -1.263 313 1HG1 VAL 41 1HG1 VAL 41 4.237 -3.303 1.162 314 2HG1 VAL 41 2HG1 VAL 41 5.135 -1.787 1.060 315 3HG1 VAL 41 3HG1 VAL 41 5.723 -3.220 0.217 316 1HG2 VAL 41 1HG2 VAL 41 2.145 -1.414 -1.194 317 2HG2 VAL 41 2HG2 VAL 41 2.934 -0.703 0.215 318 3HG2 VAL 41 3HG2 VAL 41 2.175 -2.290 0.335 319 HA PRO 42 HA PRO 42 8.327 -2.315 -3.800 320 1HB PRO 42 2HB PRO 42 10.176 -1.142 -1.828 321 2HB PRO 42 1HB PRO 42 10.051 -0.848 -3.564 322 1HG PRO 42 2HG PRO 42 9.276 0.986 -1.768 323 2HG PRO 42 1HG PRO 42 8.421 0.769 -3.307 324 1HD PRO 42 2HD PRO 42 7.675 -0.195 -0.572 325 2HD PRO 42 1HD PRO 42 6.646 0.506 -1.838 326 H GLY 43 H GLY 43 8.936 -4.384 -3.690 327 1HA GLY 43 2HA GLY 43 10.530 -5.951 -2.842 328 2HA GLY 43 1HA GLY 43 10.277 -5.289 -1.238 329 H THR 44 H THR 44 7.235 -5.521 -2.298 330 HA THR 44 HA THR 44 6.889 -8.020 -0.853 331 HB THR 44 HB THR 44 4.437 -7.451 -1.034 332 HG1 THR 44 HG1 THR 44 5.188 -4.828 -1.717 333 1HG2 THR 44 1HG2 THR 44 5.705 -6.931 0.974 334 2HG2 THR 44 2HG2 THR 44 4.567 -5.630 0.628 335 3HG2 THR 44 3HG2 THR 44 6.277 -5.429 0.250 336 H LYS 45 H LYS 45 5.499 -9.721 -1.605 337 HA LYS 45 HA LYS 45 5.538 -9.984 -4.543 338 1HB LYS 45 2HB LYS 45 6.950 -11.601 -3.281 339 2HB LYS 45 1HB LYS 45 5.515 -12.158 -2.433 340 1HG LYS 45 2HG LYS 45 4.555 -12.854 -4.606 341 2HG LYS 45 1HG LYS 45 6.068 -12.392 -5.382 342 1HD LYS 45 2HD LYS 45 6.111 -14.751 -5.023 343 2HD LYS 45 1HD LYS 45 7.247 -14.011 -3.895 344 1HE LYS 45 2HE LYS 45 5.956 -15.744 -2.786 345 2HE LYS 45 1HE LYS 45 5.562 -14.161 -2.117 346 1HZ LYS 45 1HZ LYS 45 3.935 -15.474 -4.224 347 2HZ LYS 45 2HZ LYS 45 3.520 -14.133 -3.281 348 3HZ LYS 45 3HZ LYS 45 3.625 -15.664 -2.567 349 H VAL 46 H VAL 46 3.707 -11.130 -5.505 350 HA VAL 46 HA VAL 46 1.212 -10.236 -4.603 351 HB VAL 46 HB VAL 46 1.795 -12.561 -6.446 352 1HG1 VAL 46 1HG1 VAL 46 -0.474 -12.203 -7.297 353 2HG1 VAL 46 2HG1 VAL 46 -0.739 -10.975 -6.059 354 3HG1 VAL 46 3HG1 VAL 46 -0.479 -12.655 -5.593 355 1HG2 VAL 46 1HG2 VAL 46 1.353 -10.923 -8.243 356 2HG2 VAL 46 2HG2 VAL 46 2.782 -10.531 -7.286 357 3HG2 VAL 46 3HG2 VAL 46 1.275 -9.649 -7.025 358 H GLY 47 H GLY 47 -0.064 -10.916 -3.041 359 1HA GLY 47 2HA GLY 47 -1.267 -12.715 -1.977 360 2HA GLY 47 1HA GLY 47 0.175 -13.710 -2.138 361 H ASP 48 H ASP 48 1.614 -11.032 -1.294 362 HA ASP 48 HA ASP 48 1.906 -11.792 1.425 363 1HB ASP 48 2HB ASP 48 2.943 -9.521 -0.224 364 2HB ASP 48 1HB ASP 48 3.078 -9.439 1.529 365 H GLU 49 H GLU 49 0.535 -11.440 2.983 366 HA GLU 49 HA GLU 49 -1.142 -9.033 2.890 367 1HB GLU 49 2HB GLU 49 -1.511 -11.555 4.523 368 2HB GLU 49 1HB GLU 49 -2.617 -10.187 4.470 369 1HG GLU 49 2HG GLU 49 -2.989 -10.595 2.085 370 2HG GLU 49 1HG GLU 49 -1.914 -11.988 2.166 371 H VAL 50 H VAL 50 0.042 -7.483 3.824 372 HA VAL 50 HA VAL 50 1.149 -8.024 6.490 373 HB VAL 50 HB VAL 50 3.169 -6.704 5.941 374 1HG1 VAL 50 1HG1 VAL 50 2.730 -9.113 4.183 375 2HG1 VAL 50 2HG1 VAL 50 3.293 -9.122 5.852 376 3HG1 VAL 50 3HG1 VAL 50 4.298 -8.415 4.589 377 1HG2 VAL 50 1HG2 VAL 50 3.731 -6.252 3.601 378 2HG2 VAL 50 2HG2 VAL 50 2.276 -5.387 4.097 379 3HG2 VAL 50 3HG2 VAL 50 2.144 -6.842 3.105 380 H ARG 51 H ARG 51 1.922 -5.884 7.487 381 HA ARG 51 HA ARG 51 -0.160 -3.877 7.018 382 1HB ARG 51 2HB ARG 51 1.621 -4.336 9.422 383 2HB ARG 51 1HB ARG 51 0.418 -3.057 9.287 384 1HG ARG 51 2HG ARG 51 -1.351 -4.708 9.100 385 2HG ARG 51 1HG ARG 51 -0.163 -6.008 9.173 386 1HD ARG 51 2HD ARG 51 -1.245 -5.696 11.328 387 2HD ARG 51 1HD ARG 51 0.471 -5.299 11.426 388 HE ARG 51 HE ARG 51 -0.068 -3.082 11.798 389 1HH1 ARG 51 1HH1 ARG 51 -2.946 -4.934 11.023 390 2HH1 ARG 51 2HH1 ARG 51 -4.042 -3.665 11.492 391 1HH2 ARG 51 1HH2 ARG 51 -1.499 -1.436 12.443 392 2HH2 ARG 51 2HH2 ARG 51 -3.217 -1.676 12.323 393 H ILE 52 H ILE 52 0.343 -1.967 6.208 394 HA ILE 52 HA ILE 52 3.209 -1.366 5.870 395 HB ILE 52 HB ILE 52 2.618 -0.189 3.788 396 1HG1 ILE 52 2HG1 ILE 52 -0.120 -1.425 4.147 397 2HG1 ILE 52 1HG1 ILE 52 0.244 0.275 4.421 398 1HG2 ILE 52 1HG2 ILE 52 3.402 -2.488 3.699 399 2HG2 ILE 52 2HG2 ILE 52 2.214 -2.190 2.431 400 3HG2 ILE 52 3HG2 ILE 52 1.750 -3.076 3.883 401 1HD1 ILE 52 1HD1 ILE 52 0.844 0.539 2.087 402 2HD1 ILE 52 2HD1 ILE 52 -0.789 -0.108 2.247 403 3HD1 ILE 52 3HD1 ILE 52 0.542 -1.174 1.802 404 H LYS 53 H LYS 53 3.924 0.669 6.199 405 HA LYS 53 HA LYS 53 2.068 2.536 7.482 406 1HB LYS 53 2HB LYS 53 4.040 2.094 8.787 407 2HB LYS 53 1HB LYS 53 5.085 2.366 7.404 408 1HG LYS 53 2HG LYS 53 5.372 4.413 8.189 409 2HG LYS 53 1HG LYS 53 3.729 4.756 7.658 410 1HD LYS 53 2HD LYS 53 4.318 3.591 10.367 411 2HD LYS 53 1HD LYS 53 4.356 5.330 10.076 412 1HE LYS 53 2HE LYS 53 2.011 5.103 9.167 413 2HE LYS 53 1HE LYS 53 2.021 3.455 9.796 414 1HZ LYS 53 1HZ LYS 53 1.008 5.157 11.299 415 2HZ LYS 53 2HZ LYS 53 2.550 5.842 11.481 416 3HZ LYS 53 3HZ LYS 53 2.260 4.253 12.000 417 H VAL 54 H VAL 54 1.053 3.675 5.947 418 HA VAL 54 HA VAL 54 2.245 4.454 3.476 419 HB VAL 54 HB VAL 54 -0.214 5.604 4.820 420 1HG1 VAL 54 1HG1 VAL 54 -0.858 6.312 2.575 421 2HG1 VAL 54 2HG1 VAL 54 0.652 5.671 1.930 422 3HG1 VAL 54 3HG1 VAL 54 0.678 7.035 3.049 423 1HG2 VAL 54 1HG2 VAL 54 0.070 3.329 2.860 424 2HG2 VAL 54 2HG2 VAL 54 -1.464 4.057 3.344 425 3HG2 VAL 54 3HG2 VAL 54 -0.467 3.221 4.536 426 H GLU 55 H GLU 55 3.855 5.838 3.400 427 HA GLU 55 HA GLU 55 4.165 7.783 5.540 428 1HB GLU 55 2HB GLU 55 6.464 8.070 4.389 429 2HB GLU 55 1HB GLU 55 6.142 6.602 5.291 430 1HG GLU 55 2HG GLU 55 5.564 5.495 3.131 431 2HG GLU 55 1HG GLU 55 6.110 6.956 2.307 432 H ARG 56 H ARG 56 3.501 7.674 2.111 433 HA ARG 56 HA ARG 56 2.697 10.440 2.279 434 1HB ARG 56 2HB ARG 56 5.035 10.711 1.613 435 2HB ARG 56 1HB ARG 56 4.792 9.608 0.262 436 1HG ARG 56 2HG ARG 56 3.213 11.154 -0.745 437 2HG ARG 56 1HG ARG 56 3.384 12.245 0.628 438 1HD ARG 56 2HD ARG 56 5.686 12.662 0.069 439 2HD ARG 56 1HD ARG 56 5.634 11.452 -1.215 440 HE ARG 56 HE ARG 56 3.773 13.025 -2.114 441 1HH1 ARG 56 1HH1 ARG 56 6.744 14.014 -0.548 442 2HH1 ARG 56 2HH1 ARG 56 6.812 15.538 -1.378 443 1HH2 ARG 56 1HH2 ARG 56 3.899 15.002 -3.240 444 2HH2 ARG 56 2HH2 ARG 56 5.212 16.088 -2.924 445 H VAL 57 H VAL 57 1.117 10.980 0.822 446 HA VAL 57 HA VAL 57 0.247 8.828 -0.984 447 HB VAL 57 HB VAL 57 -1.996 9.846 -0.936 448 1HG1 VAL 57 1HG1 VAL 57 -1.463 8.059 0.632 449 2HG1 VAL 57 2HG1 VAL 57 -2.598 9.205 1.343 450 3HG1 VAL 57 3HG1 VAL 57 -0.897 9.246 1.807 451 1HG2 VAL 57 1HG2 VAL 57 -0.819 11.714 1.123 452 2HG2 VAL 57 2HG2 VAL 57 -2.532 11.568 0.736 453 3HG2 VAL 57 3HG2 VAL 57 -1.402 12.158 -0.481 454 H LEU 58 H LEU 58 -0.119 9.262 -3.104 455 HA LEU 58 HA LEU 58 0.590 11.956 -4.061 456 1HB LEU 58 2HB LEU 58 1.014 9.258 -5.369 457 2HB LEU 58 1HB LEU 58 1.222 10.781 -6.206 458 HG LEU 58 HG LEU 58 3.393 10.072 -5.628 459 1HD1 LEU 58 1HD1 LEU 58 2.541 12.058 -3.530 460 2HD1 LEU 58 2HD1 LEU 58 3.009 12.430 -5.189 461 3HD1 LEU 58 3HD1 LEU 58 4.195 11.761 -4.068 462 1HD2 LEU 58 1HD2 LEU 58 4.067 9.424 -3.361 463 2HD2 LEU 58 2HD2 LEU 58 2.838 8.347 -4.021 464 3HD2 LEU 58 3HD2 LEU 58 2.391 9.568 -2.829 465 HA PRO 59 HA PRO 59 -3.316 12.625 -5.838 466 1HB PRO 59 2HB PRO 59 -2.746 12.919 -8.562 467 2HB PRO 59 1HB PRO 59 -2.729 14.195 -7.344 468 1HG PRO 59 2HG PRO 59 -0.468 12.618 -8.473 469 2HG PRO 59 1HG PRO 59 -0.516 14.319 -7.973 470 1HD PRO 59 2HD PRO 59 0.668 12.460 -6.461 471 2HD PRO 59 1HD PRO 59 -0.247 13.794 -5.729 472 H LYS 60 H LYS 60 -1.435 10.097 -7.448 473 HA LYS 60 HA LYS 60 -3.994 8.894 -8.280 474 1HB LYS 60 2HB LYS 60 -1.349 8.766 -9.732 475 2HB LYS 60 1HB LYS 60 -2.795 7.880 -10.195 476 1HG LYS 60 2HG LYS 60 -2.513 10.878 -10.115 477 2HG LYS 60 1HG LYS 60 -2.501 9.869 -11.562 478 1HD LYS 60 2HD LYS 60 -4.787 9.165 -11.113 479 2HD LYS 60 1HD LYS 60 -4.802 10.107 -9.621 480 1HE LYS 60 2HE LYS 60 -4.450 12.154 -10.937 481 2HE LYS 60 1HE LYS 60 -4.502 11.196 -12.417 482 1HZ LYS 60 1HZ LYS 60 -6.715 11.446 -10.447 483 2HZ LYS 60 2HZ LYS 60 -6.767 10.556 -11.892 484 3HZ LYS 60 3HZ LYS 60 -6.633 12.246 -11.941 485 H PHE 61 H PHE 61 -1.526 8.473 -6.129 486 HA PHE 61 HA PHE 61 -2.128 5.745 -5.628 487 1HB PHE 61 2HB PHE 61 0.060 4.748 -6.175 488 2HB PHE 61 1HB PHE 61 -0.765 5.338 -7.610 489 HD1 PHE 61 HD1 PHE 61 0.053 7.327 -8.783 490 HD2 PHE 61 HD2 PHE 61 2.124 5.708 -5.435 491 HE1 PHE 61 HE1 PHE 61 2.057 8.609 -9.408 492 HE2 PHE 61 HE2 PHE 61 4.129 6.994 -6.051 493 HZ PHE 61 HZ PHE 61 4.098 8.443 -8.040 494 H ALA 62 H ALA 62 -0.799 4.853 -3.832 495 HA ALA 62 HA ALA 62 0.382 7.033 -2.232 496 1HB ALA 62 1HB ALA 62 -0.954 4.512 -1.259 497 2HB ALA 62 2HB ALA 62 -1.641 6.133 -1.213 498 3HB ALA 62 3HB ALA 62 -0.226 5.749 -0.237 499 H PHE 63 H PHE 63 2.172 6.470 -0.851 500 HA PHE 63 HA PHE 63 3.701 4.128 -1.791 501 1HB PHE 63 2HB PHE 63 4.602 6.328 -2.611 502 2HB PHE 63 1HB PHE 63 4.854 6.794 -0.935 503 HD1 PHE 63 HD1 PHE 63 5.816 4.281 -3.480 504 HD2 PHE 63 HD2 PHE 63 6.811 6.204 0.184 505 HE1 PHE 63 HE1 PHE 63 8.040 3.233 -3.540 506 HE2 PHE 63 HE2 PHE 63 9.037 5.153 0.135 507 HZ PHE 63 HZ PHE 63 9.653 3.668 -1.728 508 H ALA 64 H ALA 64 4.383 2.773 -0.205 509 HA ALA 64 HA ALA 64 4.491 3.745 2.551 510 1HB ALA 64 1HB ALA 64 2.696 1.474 1.694 511 2HB ALA 64 2HB ALA 64 2.167 3.064 2.245 512 3HB ALA 64 3HB ALA 64 3.000 1.977 3.356 513 H SER 65 H SER 65 5.488 2.254 4.013 514 HA SER 65 HA SER 65 7.128 0.205 2.685 515 1HB SER 65 2HB SER 65 8.634 0.634 4.777 516 2HB SER 65 1HB SER 65 8.665 1.791 3.446 517 HG SER 65 HG SER 65 7.689 3.248 4.650 518 H VAL 66 H VAL 66 7.723 -1.647 4.083 519 HA VAL 66 HA VAL 66 5.329 -2.670 5.330 520 HB VAL 66 HB VAL 66 8.016 -4.020 5.007 521 1HG1 VAL 66 1HG1 VAL 66 5.266 -5.134 5.556 522 2HG1 VAL 66 2HG1 VAL 66 6.625 -5.097 6.679 523 3HG1 VAL 66 3HG1 VAL 66 6.704 -6.098 5.228 524 1HG2 VAL 66 1HG2 VAL 66 5.585 -4.110 3.218 525 2HG2 VAL 66 2HG2 VAL 66 7.035 -5.096 3.025 526 3HG2 VAL 66 3HG2 VAL 66 7.126 -3.342 2.836 527 H VAL 67 H VAL 67 4.902 -2.629 7.445 528 HA VAL 67 HA VAL 67 7.165 -2.341 9.314 529 HB VAL 67 HB VAL 67 5.587 -1.153 10.849 530 1HG1 VAL 67 1HG1 VAL 67 5.713 0.992 9.675 531 2HG1 VAL 67 2HG1 VAL 67 6.071 0.144 8.171 532 3HG1 VAL 67 3HG1 VAL 67 7.209 0.073 9.517 533 1HG2 VAL 67 1HG2 VAL 67 3.477 -1.920 9.904 534 2HG2 VAL 67 2HG2 VAL 67 3.819 -1.055 8.405 535 3HG2 VAL 67 3HG2 VAL 67 3.557 -0.157 9.902 536 H GLU 68 H GLU 68 6.002 -4.766 8.343 537 HA GLU 68 HA GLU 68 4.213 -5.969 10.120 538 1HB GLU 68 2HB GLU 68 4.805 -6.967 7.964 539 2HB GLU 68 1HB GLU 68 6.453 -7.222 8.515 540 1HG GLU 68 2HG GLU 68 5.652 -8.794 10.203 541 2HG GLU 68 1HG GLU 68 3.993 -8.523 9.669 Start of MODEL 7 1 1H MET 1 1HT MET 1 -5.876 22.221 10.098 2 2H MET 1 2HT MET 1 -5.491 21.846 8.488 3 3H MET 1 3HT MET 1 -5.324 20.669 9.691 4 HA MET 1 HA MET 1 -7.299 20.371 8.287 5 1HB MET 1 2HB MET 1 -7.691 20.917 11.231 6 2HB MET 1 1HB MET 1 -8.893 20.125 10.220 7 1HG MET 1 2HG MET 1 -6.114 19.129 10.807 8 2HG MET 1 1HG MET 1 -7.623 18.492 11.462 9 1HE MET 1 1HE MET 1 -6.818 16.049 10.676 10 2HE MET 1 2HE MET 1 -5.351 16.735 9.977 11 3HE MET 1 3HE MET 1 -6.371 15.664 9.014 12 H PHE 2 H PHE 2 -6.712 23.140 7.804 13 HA PHE 2 HA PHE 2 -9.113 24.594 8.504 14 1HB PHE 2 2HB PHE 2 -8.170 26.446 7.214 15 2HB PHE 2 1HB PHE 2 -6.982 25.816 8.345 16 HD1 PHE 2 HD1 PHE 2 -5.048 24.541 7.524 17 HD2 PHE 2 HD2 PHE 2 -7.832 26.340 4.855 18 HE1 PHE 2 HE1 PHE 2 -3.427 24.319 5.688 19 HE2 PHE 2 HE2 PHE 2 -6.218 26.115 3.012 20 HZ PHE 2 HZ PHE 2 -4.012 25.103 3.430 21 H ARG 3 H ARG 3 -10.475 25.564 6.796 22 HA ARG 3 HA ARG 3 -11.981 25.294 5.102 23 1HB ARG 3 2HB ARG 3 -10.164 23.169 3.938 24 2HB ARG 3 1HB ARG 3 -11.500 23.969 3.128 25 1HG ARG 3 2HG ARG 3 -8.979 25.332 4.044 26 2HG ARG 3 1HG ARG 3 -9.290 24.764 2.404 27 1HD ARG 3 2HD ARG 3 -11.216 26.271 2.259 28 2HD ARG 3 1HD ARG 3 -10.881 26.848 3.893 29 HE ARG 3 HE ARG 3 -8.709 27.087 1.980 30 1HH1 ARG 3 1HH1 ARG 3 -11.461 28.669 3.474 31 2HH1 ARG 3 2HH1 ARG 3 -10.830 30.268 3.218 32 1HH2 ARG 3 1HH2 ARG 3 -7.885 29.193 1.660 33 2HH2 ARG 3 2HH2 ARG 3 -8.806 30.569 2.204 34 H GLU 4 H GLU 4 -13.735 23.871 4.617 35 HA GLU 4 HA GLU 4 -14.001 21.735 6.565 36 1HB GLU 4 2HB GLU 4 -16.348 21.595 5.674 37 2HB GLU 4 1HB GLU 4 -15.912 23.150 6.367 38 1HG GLU 4 2HG GLU 4 -15.578 24.069 4.143 39 2HG GLU 4 1HG GLU 4 -15.957 22.504 3.426 40 H GLU 5 H GLU 5 -12.115 20.759 5.225 41 HA GLU 5 HA GLU 5 -13.019 19.451 2.793 42 1HB GLU 5 2HB GLU 5 -10.738 18.912 2.380 43 2HB GLU 5 1HB GLU 5 -10.753 20.561 2.988 44 1HG GLU 5 2HG GLU 5 -10.135 19.706 5.218 45 2HG GLU 5 1HG GLU 5 -10.043 18.082 4.536 46 H SER 6 H SER 6 -13.687 17.430 2.702 47 HA SER 6 HA SER 6 -12.938 15.601 4.880 48 1HB SER 6 2HB SER 6 -14.931 14.253 4.146 49 2HB SER 6 1HB SER 6 -15.347 15.846 4.779 50 HG SER 6 HG SER 6 -16.465 15.335 2.830 51 H ARG 7 H ARG 7 -13.693 15.723 1.440 52 HA ARG 7 HA ARG 7 -12.779 14.837 -0.413 53 1HB ARG 7 2HB ARG 7 -10.388 14.195 1.317 54 2HB ARG 7 1HB ARG 7 -10.424 14.231 -0.444 55 1HG ARG 7 2HG ARG 7 -11.032 16.638 -0.324 56 2HG ARG 7 1HG ARG 7 -10.805 16.562 1.424 57 1HD ARG 7 2HD ARG 7 -8.460 15.721 0.933 58 2HD ARG 7 1HD ARG 7 -8.749 16.203 -0.741 59 HE ARG 7 HE ARG 7 -8.441 17.964 1.579 60 1HH1 ARG 7 1HH1 ARG 7 -9.039 17.641 -1.876 61 2HH1 ARG 7 2HH1 ARG 7 -8.826 19.342 -2.182 62 1HH2 ARG 7 1HH2 ARG 7 -8.151 20.163 1.157 63 2HH2 ARG 7 2HH2 ARG 7 -8.314 20.769 -0.464 64 H SER 8 H SER 8 -12.529 12.798 2.434 65 HA SER 8 HA SER 8 -12.930 10.611 2.804 66 1HB SER 8 2HB SER 8 -14.371 10.734 0.143 67 2HB SER 8 1HB SER 8 -14.502 9.424 1.321 68 HG SER 8 HG SER 8 -16.167 11.166 1.342 69 H VAL 9 H VAL 9 -10.573 10.556 2.487 70 HA VAL 9 HA VAL 9 -9.727 9.135 0.080 71 HB VAL 9 HB VAL 9 -7.418 9.431 0.992 72 1HG1 VAL 9 1HG1 VAL 9 -7.283 11.829 0.514 73 2HG1 VAL 9 2HG1 VAL 9 -9.036 11.953 0.656 74 3HG1 VAL 9 3HG1 VAL 9 -8.320 10.992 -0.638 75 1HG2 VAL 9 1HG2 VAL 9 -7.072 11.018 2.825 76 2HG2 VAL 9 2HG2 VAL 9 -7.967 9.594 3.358 77 3HG2 VAL 9 3HG2 VAL 9 -8.817 11.113 3.070 78 HA PRO 10 HA PRO 10 -9.796 5.232 2.147 79 1HB PRO 10 2HB PRO 10 -7.985 3.893 0.607 80 2HB PRO 10 1HB PRO 10 -9.645 4.220 0.100 81 1HG PRO 10 2HG PRO 10 -7.125 5.643 -0.624 82 2HG PRO 10 1HG PRO 10 -8.521 5.243 -1.641 83 1HD PRO 10 2HD PRO 10 -8.099 7.723 -0.613 84 2HD PRO 10 1HD PRO 10 -9.719 7.073 -0.931 85 H VAL 11 H VAL 11 -6.735 6.861 1.539 86 HA VAL 11 HA VAL 11 -5.684 5.726 4.027 87 HB VAL 11 HB VAL 11 -3.434 5.499 3.000 88 1HG1 VAL 11 1HG1 VAL 11 -4.844 3.534 3.260 89 2HG1 VAL 11 2HG1 VAL 11 -3.869 3.419 1.795 90 3HG1 VAL 11 3HG1 VAL 11 -5.577 3.840 1.686 91 1HG2 VAL 11 1HG2 VAL 11 -3.246 5.416 0.541 92 2HG2 VAL 11 2HG2 VAL 11 -3.669 7.023 1.132 93 3HG2 VAL 11 3HG2 VAL 11 -4.908 5.992 0.415 94 H GLU 12 H GLU 12 -4.019 7.001 5.012 95 HA GLU 12 HA GLU 12 -3.722 9.726 3.946 96 1HB GLU 12 2HB GLU 12 -3.905 10.595 6.276 97 2HB GLU 12 1HB GLU 12 -5.400 9.901 5.664 98 1HG GLU 12 2HG GLU 12 -4.963 7.851 6.900 99 2HG GLU 12 1HG GLU 12 -3.452 8.530 7.498 100 H GLU 13 H GLU 13 -1.855 10.878 4.899 101 HA GLU 13 HA GLU 13 0.444 9.253 4.697 102 1HB GLU 13 2HB GLU 13 0.196 12.120 5.606 103 2HB GLU 13 1HB GLU 13 1.700 11.314 5.179 104 1HG GLU 13 2HG GLU 13 0.721 10.914 2.905 105 2HG GLU 13 1HG GLU 13 -0.611 11.969 3.375 106 H GLY 14 H GLY 14 1.639 8.267 6.136 107 1HA GLY 14 2HA GLY 14 2.763 7.853 8.096 108 2HA GLY 14 1HA GLY 14 1.987 9.244 8.820 109 H GLU 15 H GLU 15 0.359 6.499 7.311 110 HA GLU 15 HA GLU 15 -0.570 5.720 10.005 111 1HB GLU 15 2HB GLU 15 -2.178 6.040 7.497 112 2HB GLU 15 1HB GLU 15 -2.716 4.989 8.793 113 1HG GLU 15 2HG GLU 15 -2.054 7.887 9.202 114 2HG GLU 15 1HG GLU 15 -3.669 7.304 8.799 115 H VAL 16 H VAL 16 -1.526 3.495 10.019 116 HA VAL 16 HA VAL 16 0.179 1.751 8.360 117 HB VAL 16 HB VAL 16 -0.509 1.318 11.274 118 1HG1 VAL 16 1HG1 VAL 16 1.297 -0.249 9.433 119 2HG1 VAL 16 2HG1 VAL 16 -0.288 -0.765 10.011 120 3HG1 VAL 16 3HG1 VAL 16 1.043 -0.560 11.150 121 1HG2 VAL 16 1HG2 VAL 16 1.889 1.691 11.688 122 2HG2 VAL 16 2HG2 VAL 16 1.096 3.125 11.033 123 3HG2 VAL 16 3HG2 VAL 16 2.102 2.120 9.989 124 H TYR 17 H TYR 17 -0.902 0.333 7.215 125 HA TYR 17 HA TYR 17 -3.552 -0.557 8.163 126 1HB TYR 17 2HB TYR 17 -2.786 -0.136 5.264 127 2HB TYR 17 1HB TYR 17 -4.373 -0.564 5.890 128 HD1 TYR 17 HD1 TYR 17 -1.943 2.135 5.441 129 HD2 TYR 17 HD2 TYR 17 -5.828 1.126 6.846 130 HE1 TYR 17 HE1 TYR 17 -2.537 4.520 5.496 131 HE2 TYR 17 HE2 TYR 17 -6.432 3.509 6.904 132 HH TYR 17 HH TYR 17 -5.421 5.678 6.983 133 H ASP 18 H ASP 18 -4.007 -2.730 7.897 134 HA ASP 18 HA ASP 18 -1.821 -4.429 6.996 135 1HB ASP 18 2HB ASP 18 -3.354 -6.298 7.758 136 2HB ASP 18 1HB ASP 18 -2.823 -5.194 9.019 137 H VAL 19 H VAL 19 -1.695 -4.374 4.849 138 HA VAL 19 HA VAL 19 -4.191 -4.470 3.294 139 HB VAL 19 HB VAL 19 -2.936 -3.524 1.438 140 1HG1 VAL 19 1HG1 VAL 19 -2.487 -1.986 3.993 141 2HG1 VAL 19 2HG1 VAL 19 -3.965 -1.992 3.031 142 3HG1 VAL 19 3HG1 VAL 19 -2.482 -1.310 2.364 143 1HG2 VAL 19 1HG2 VAL 19 -0.603 -2.774 1.749 144 2HG2 VAL 19 2HG2 VAL 19 -0.769 -4.528 1.831 145 3HG2 VAL 19 3HG2 VAL 19 -0.570 -3.590 3.311 146 H THR 20 H THR 20 -4.172 -5.661 1.281 147 HA THR 20 HA THR 20 -2.421 -8.018 1.373 148 HB THR 20 HB THR 20 -5.058 -7.753 -0.087 149 HG1 THR 20 HG1 THR 20 -4.733 -7.903 2.503 150 1HG2 THR 20 1HG2 THR 20 -3.358 -10.153 0.604 151 2HG2 THR 20 2HG2 THR 20 -3.578 -9.455 -1.002 152 3HG2 THR 20 3HG2 THR 20 -4.941 -10.209 -0.174 153 H ILE 21 H ILE 21 -0.823 -7.984 -0.086 154 HA ILE 21 HA ILE 21 -0.791 -6.220 -2.325 155 HB ILE 21 HB ILE 21 0.918 -8.676 -1.851 156 1HG1 ILE 21 2HG1 ILE 21 1.098 -7.090 0.008 157 2HG1 ILE 21 1HG1 ILE 21 2.582 -7.106 -0.938 158 1HG2 ILE 21 1HG2 ILE 21 1.359 -6.285 -3.640 159 2HG2 ILE 21 2HG2 ILE 21 0.966 -7.921 -4.167 160 3HG2 ILE 21 3HG2 ILE 21 2.507 -7.596 -3.374 161 1HD1 ILE 21 1HD1 ILE 21 0.410 -5.033 -1.134 162 2HD1 ILE 21 2HD1 ILE 21 1.931 -5.040 -2.026 163 3HD1 ILE 21 3HD1 ILE 21 1.937 -4.849 -0.273 164 H GLN 22 H GLN 22 -2.191 -6.477 -3.940 165 HA GLN 22 HA GLN 22 -3.145 -9.167 -4.591 166 1HB GLN 22 2HB GLN 22 -4.836 -7.490 -4.063 167 2HB GLN 22 1HB GLN 22 -4.212 -6.434 -5.319 168 1HG GLN 22 2HG GLN 22 -6.144 -7.398 -6.214 169 2HG GLN 22 1HG GLN 22 -4.804 -8.257 -6.966 170 1HE2 GLN 22 1HE2 GLN 22 -4.291 -9.898 -4.582 171 2HE2 GLN 22 2HE2 GLN 22 -5.570 -11.056 -4.529 172 H ASP 23 H ASP 23 -1.130 -6.675 -5.840 173 HA ASP 23 HA ASP 23 -0.913 -8.109 -8.376 174 1HB ASP 23 2HB ASP 23 -2.628 -6.310 -8.629 175 2HB ASP 23 1HB ASP 23 -1.384 -5.128 -8.239 176 H ILE 24 H ILE 24 0.942 -7.292 -9.694 177 HA ILE 24 HA ILE 24 3.098 -6.231 -7.998 178 HB ILE 24 HB ILE 24 3.353 -8.431 -10.067 179 1HG1 ILE 24 2HG1 ILE 24 2.390 -9.230 -7.961 180 2HG1 ILE 24 1HG1 ILE 24 4.025 -9.848 -8.171 181 1HG2 ILE 24 1HG2 ILE 24 5.708 -8.539 -9.396 182 2HG2 ILE 24 2HG2 ILE 24 5.467 -7.146 -8.343 183 3HG2 ILE 24 3HG2 ILE 24 5.299 -6.970 -10.089 184 1HD1 ILE 24 1HD1 ILE 24 3.656 -9.181 -5.881 185 2HD1 ILE 24 2HD1 ILE 24 3.195 -7.560 -6.398 186 3HD1 ILE 24 3HD1 ILE 24 4.850 -8.121 -6.631 187 H ALA 25 H ALA 25 4.262 -4.620 -8.889 188 HA ALA 25 HA ALA 25 3.270 -3.593 -11.448 189 1HB ALA 25 1HB ALA 25 4.128 -1.465 -10.704 190 2HB ALA 25 2HB ALA 25 4.905 -2.229 -9.319 191 3HB ALA 25 3HB ALA 25 3.142 -2.178 -9.426 192 H ARG 26 H ARG 26 5.463 -1.788 -11.712 193 HA ARG 26 HA ARG 26 7.268 -2.960 -13.379 194 1HB ARG 26 2HB ARG 26 7.170 -0.574 -13.161 195 2HB ARG 26 1HB ARG 26 7.610 -0.652 -11.462 196 1HG ARG 26 2HG ARG 26 9.782 -1.790 -12.438 197 2HG ARG 26 1HG ARG 26 9.316 -0.880 -13.878 198 1HD ARG 26 2HD ARG 26 10.830 0.441 -12.532 199 2HD ARG 26 1HD ARG 26 9.226 1.172 -12.520 200 HE ARG 26 HE ARG 26 9.107 -0.274 -10.288 201 1HH1 ARG 26 1HH1 ARG 26 11.679 1.794 -11.482 202 2HH1 ARG 26 2HH1 ARG 26 12.263 2.198 -9.897 203 1HH2 ARG 26 1HH2 ARG 26 9.850 0.248 -8.218 204 2HH2 ARG 26 2HH2 ARG 26 11.222 1.316 -8.029 205 H GLN 27 H GLN 27 8.501 -4.677 -13.022 206 HA GLN 27 HA GLN 27 10.376 -5.766 -12.346 207 1HB GLN 27 2HB GLN 27 11.303 -3.506 -11.976 208 2HB GLN 27 1HB GLN 27 10.668 -3.533 -10.336 209 1HG GLN 27 2HG GLN 27 12.122 -5.353 -9.751 210 2HG GLN 27 1HG GLN 27 12.677 -5.497 -11.417 211 1HE2 GLN 27 1HE2 GLN 27 14.175 -5.007 -8.970 212 2HE2 GLN 27 2HE2 GLN 27 15.041 -3.527 -9.234 213 H GLY 28 H GLY 28 9.302 -4.408 -9.221 214 1HA GLY 28 2HA GLY 28 8.246 -6.952 -8.371 215 2HA GLY 28 1HA GLY 28 9.794 -6.560 -7.640 216 H ASP 29 H ASP 29 7.780 -3.887 -8.406 217 HA ASP 29 HA ASP 29 7.411 -3.293 -5.614 218 1HB ASP 29 2HB ASP 29 6.203 -1.859 -7.995 219 2HB ASP 29 1HB ASP 29 6.316 -1.251 -6.350 220 H GLY 30 H GLY 30 5.748 -3.944 -4.410 221 1HA GLY 30 2HA GLY 30 3.631 -5.472 -5.633 222 2HA GLY 30 1HA GLY 30 3.851 -5.173 -3.915 223 H ILE 31 H ILE 31 1.553 -4.910 -5.931 224 HA ILE 31 HA ILE 31 0.878 -2.108 -5.346 225 HB ILE 31 HB ILE 31 -0.286 -3.959 -7.433 226 1HG1 ILE 31 2HG1 ILE 31 1.978 -3.163 -7.980 227 2HG1 ILE 31 1HG1 ILE 31 0.772 -2.444 -9.048 228 1HG2 ILE 31 1HG2 ILE 31 -1.973 -2.444 -6.586 229 2HG2 ILE 31 2HG2 ILE 31 -1.496 -1.967 -8.216 230 3HG2 ILE 31 3HG2 ILE 31 -0.892 -1.071 -6.823 231 1HD1 ILE 31 1HD1 ILE 31 2.063 -1.115 -6.675 232 2HD1 ILE 31 2HD1 ILE 31 0.834 -0.395 -7.713 233 3HD1 ILE 31 3HD1 ILE 31 2.417 -0.802 -8.374 234 H ALA 32 H ALA 32 -0.325 -1.889 -3.630 235 HA ALA 32 HA ALA 32 -2.405 -3.894 -3.067 236 1HB ALA 32 1HB ALA 32 -1.153 -1.876 -1.203 237 2HB ALA 32 2HB ALA 32 -0.772 -3.599 -1.264 238 3HB ALA 32 3HB ALA 32 -2.381 -3.067 -0.768 239 H ARG 33 H ARG 33 -4.321 -3.282 -3.831 240 HA ARG 33 HA ARG 33 -4.935 -0.427 -3.941 241 1HB ARG 33 2HB ARG 33 -5.999 -2.809 -5.386 242 2HB ARG 33 1HB ARG 33 -7.076 -1.443 -5.134 243 1HG ARG 33 2HG ARG 33 -6.230 -0.746 -7.087 244 2HG ARG 33 1HG ARG 33 -4.901 -0.169 -6.082 245 1HD ARG 33 2HD ARG 33 -3.971 -1.354 -7.930 246 2HD ARG 33 1HD ARG 33 -3.749 -2.336 -6.483 247 HE ARG 33 HE ARG 33 -6.093 -3.239 -7.539 248 1HH1 ARG 33 1HH1 ARG 33 -2.892 -2.778 -8.890 249 2HH1 ARG 33 2HH1 ARG 33 -2.999 -4.151 -9.942 250 1HH2 ARG 33 1HH2 ARG 33 -6.252 -5.014 -8.932 251 2HH2 ARG 33 2HH2 ARG 33 -4.914 -5.438 -9.966 252 H ILE 34 H ILE 34 -5.882 0.375 -2.199 253 HA ILE 34 HA ILE 34 -7.774 -1.288 -0.726 254 HB ILE 34 HB ILE 34 -6.685 1.464 -0.121 255 1HG1 ILE 34 2HG1 ILE 34 -6.327 -1.258 1.144 256 2HG1 ILE 34 1HG1 ILE 34 -5.105 -0.315 0.299 257 1HG2 ILE 34 1HG2 ILE 34 -8.664 -0.171 1.467 258 2HG2 ILE 34 2HG2 ILE 34 -9.014 1.327 0.605 259 3HG2 ILE 34 3HG2 ILE 34 -7.920 1.342 1.990 260 1HD1 ILE 34 1HD1 ILE 34 -6.434 0.454 2.887 261 2HD1 ILE 34 2HD1 ILE 34 -5.160 1.352 2.059 262 3HD1 ILE 34 3HD1 ILE 34 -4.822 -0.244 2.722 263 H GLU 35 H GLU 35 -9.696 -1.392 -1.495 264 HA GLU 35 HA GLU 35 -11.610 -0.969 -2.632 265 1HB GLU 35 2HB GLU 35 -11.113 1.716 -1.362 266 2HB GLU 35 1HB GLU 35 -12.582 1.343 -2.259 267 1HG GLU 35 2HG GLU 35 -11.589 -0.025 0.230 268 2HG GLU 35 1HG GLU 35 -12.977 1.056 0.092 269 H GLY 36 H GLY 36 -8.967 -0.423 -3.988 270 1HA GLY 36 2HA GLY 36 -9.060 -0.225 -6.435 271 2HA GLY 36 1HA GLY 36 -10.080 1.184 -6.198 272 H PHE 37 H PHE 37 -8.298 2.054 -3.910 273 HA PHE 37 HA PHE 37 -6.690 3.784 -5.501 274 1HB PHE 37 2HB PHE 37 -7.710 4.389 -3.284 275 2HB PHE 37 1HB PHE 37 -6.507 3.358 -2.513 276 HD1 PHE 37 HD1 PHE 37 -4.280 4.099 -2.189 277 HD2 PHE 37 HD2 PHE 37 -6.987 6.415 -4.515 278 HE1 PHE 37 HE1 PHE 37 -2.686 5.974 -2.172 279 HE2 PHE 37 HE2 PHE 37 -5.400 8.293 -4.503 280 HZ PHE 37 HZ PHE 37 -3.247 8.075 -3.329 281 H VAL 38 H VAL 38 -4.634 3.614 -6.120 282 HA VAL 38 HA VAL 38 -3.334 1.063 -5.692 283 HB VAL 38 HB VAL 38 -2.507 3.392 -7.438 284 1HG1 VAL 38 1HG1 VAL 38 -0.633 1.937 -6.877 285 2HG1 VAL 38 2HG1 VAL 38 -1.075 1.785 -8.578 286 3HG1 VAL 38 3HG1 VAL 38 -1.550 0.536 -7.427 287 1HG2 VAL 38 1HG2 VAL 38 -4.661 2.480 -8.102 288 2HG2 VAL 38 2HG2 VAL 38 -3.976 0.855 -8.138 289 3HG2 VAL 38 3HG2 VAL 38 -3.419 2.072 -9.286 290 H ILE 39 H ILE 39 -2.034 0.790 -4.005 291 HA ILE 39 HA ILE 39 -0.230 2.984 -3.226 292 HB ILE 39 HB ILE 39 -0.960 0.520 -1.632 293 1HG1 ILE 39 2HG1 ILE 39 -1.921 3.356 -1.206 294 2HG1 ILE 39 1HG1 ILE 39 -2.862 2.124 -2.039 295 1HG2 ILE 39 1HG2 ILE 39 0.057 1.735 0.247 296 2HG2 ILE 39 2HG2 ILE 39 0.514 3.035 -0.854 297 3HG2 ILE 39 3HG2 ILE 39 1.217 1.428 -1.046 298 1HD1 ILE 39 1HD1 ILE 39 -3.558 2.380 0.272 299 2HD1 ILE 39 2HD1 ILE 39 -1.927 1.984 0.817 300 3HD1 ILE 39 3HD1 ILE 39 -2.898 0.773 -0.023 301 H PHE 40 H PHE 40 1.927 2.710 -3.453 302 HA PHE 40 HA PHE 40 2.853 0.230 -4.692 303 1HB PHE 40 2HB PHE 40 4.044 2.987 -4.441 304 2HB PHE 40 1HB PHE 40 4.997 1.612 -4.982 305 HD1 PHE 40 HD1 PHE 40 4.964 0.948 -7.198 306 HD2 PHE 40 HD2 PHE 40 1.937 3.565 -5.761 307 HE1 PHE 40 HE1 PHE 40 4.165 1.286 -9.503 308 HE2 PHE 40 HE2 PHE 40 1.133 3.908 -8.057 309 HZ PHE 40 HZ PHE 40 2.249 2.771 -9.933 310 H VAL 41 H VAL 41 3.841 -1.280 -3.570 311 HA VAL 41 HA VAL 41 5.373 -0.507 -1.167 312 HB VAL 41 HB VAL 41 3.764 -3.052 -1.462 313 1HG1 VAL 41 1HG1 VAL 41 4.279 -3.372 0.921 314 2HG1 VAL 41 2HG1 VAL 41 5.296 -1.932 0.882 315 3HG1 VAL 41 3HG1 VAL 41 5.731 -3.346 -0.079 316 1HG2 VAL 41 1HG2 VAL 41 3.160 -0.585 0.165 317 2HG2 VAL 41 2HG2 VAL 41 2.302 -2.120 0.293 318 3HG2 VAL 41 3HG2 VAL 41 2.238 -1.199 -1.209 319 HA PRO 42 HA PRO 42 8.192 -2.373 -4.252 320 1HB PRO 42 2HB PRO 42 10.194 -1.246 -2.381 321 2HB PRO 42 1HB PRO 42 10.038 -1.033 -4.128 322 1HG PRO 42 2HG PRO 42 9.404 0.935 -2.441 323 2HG PRO 42 1HG PRO 42 8.463 0.648 -3.917 324 1HD PRO 42 2HD PRO 42 7.818 -0.081 -1.085 325 2HD PRO 42 1HD PRO 42 6.750 0.543 -2.361 326 H GLY 43 H GLY 43 8.526 -4.505 -4.125 327 1HA GLY 43 2HA GLY 43 9.840 -6.333 -3.467 328 2HA GLY 43 1HA GLY 43 10.213 -5.499 -1.966 329 H THR 44 H THR 44 7.262 -6.717 -3.602 330 HA THR 44 HA THR 44 6.738 -8.378 -1.263 331 HB THR 44 HB THR 44 4.228 -7.648 -1.573 332 HG1 THR 44 HG1 THR 44 5.404 -5.140 -2.098 333 1HG2 THR 44 1HG2 THR 44 6.238 -5.937 -0.106 334 2HG2 THR 44 2HG2 THR 44 5.499 -7.418 0.505 335 3HG2 THR 44 3HG2 THR 44 4.505 -5.991 0.213 336 H LYS 45 H LYS 45 4.633 -9.729 -1.764 337 HA LYS 45 HA LYS 45 4.723 -10.582 -4.584 338 1HB LYS 45 2HB LYS 45 6.079 -12.050 -3.050 339 2HB LYS 45 1HB LYS 45 4.599 -12.419 -2.182 340 1HG LYS 45 2HG LYS 45 5.027 -14.227 -3.647 341 2HG LYS 45 1HG LYS 45 3.672 -13.324 -4.323 342 1HD LYS 45 2HD LYS 45 5.235 -13.956 -6.075 343 2HD LYS 45 1HD LYS 45 5.205 -12.203 -5.879 344 1HE LYS 45 2HE LYS 45 7.486 -13.048 -6.163 345 2HE LYS 45 1HE LYS 45 7.262 -12.290 -4.588 346 1HZ LYS 45 1HZ LYS 45 7.146 -15.220 -5.071 347 2HZ LYS 45 2HZ LYS 45 7.105 -14.440 -3.568 348 3HZ LYS 45 3HZ LYS 45 8.517 -14.395 -4.507 349 H VAL 46 H VAL 46 2.755 -11.461 -5.390 350 HA VAL 46 HA VAL 46 0.375 -10.389 -4.385 351 HB VAL 46 HB VAL 46 0.684 -12.797 -6.187 352 1HG1 VAL 46 1HG1 VAL 46 -1.592 -12.294 -6.927 353 2HG1 VAL 46 2HG1 VAL 46 -1.692 -10.994 -5.739 354 3HG1 VAL 46 3HG1 VAL 46 -1.546 -12.668 -5.204 355 1HG2 VAL 46 1HG2 VAL 46 1.784 -10.831 -7.095 356 2HG2 VAL 46 2HG2 VAL 46 0.321 -9.879 -6.844 357 3HG2 VAL 46 3HG2 VAL 46 0.324 -11.200 -8.014 358 H GLY 47 H GLY 47 -0.684 -10.877 -2.601 359 1HA GLY 47 2HA GLY 47 -2.017 -12.620 -1.472 360 2HA GLY 47 1HA GLY 47 -0.623 -13.676 -1.645 361 H ASP 48 H ASP 48 0.849 -10.918 -1.009 362 HA ASP 48 HA ASP 48 1.351 -11.594 1.713 363 1HB ASP 48 2HB ASP 48 2.304 -9.453 -0.132 364 2HB ASP 48 1HB ASP 48 2.516 -9.214 1.598 365 H GLU 49 H GLU 49 -0.319 -11.343 3.090 366 HA GLU 49 HA GLU 49 -1.614 -8.751 3.311 367 1HB GLU 49 2HB GLU 49 -1.854 -11.286 4.939 368 2HB GLU 49 1HB GLU 49 -2.696 -9.796 5.343 369 1HG GLU 49 2HG GLU 49 -3.812 -9.867 3.150 370 2HG GLU 49 1HG GLU 49 -3.010 -11.401 2.819 371 H VAL 50 H VAL 50 -0.195 -7.254 3.957 372 HA VAL 50 HA VAL 50 1.437 -7.867 6.325 373 HB VAL 50 HB VAL 50 3.265 -6.465 5.330 374 1HG1 VAL 50 1HG1 VAL 50 4.120 -8.243 3.873 375 2HG1 VAL 50 2HG1 VAL 50 2.517 -8.977 3.838 376 3HG1 VAL 50 3HG1 VAL 50 3.414 -8.888 5.355 377 1HG2 VAL 50 1HG2 VAL 50 3.288 -6.109 2.919 378 2HG2 VAL 50 2HG2 VAL 50 1.907 -5.294 3.654 379 3HG2 VAL 50 3HG2 VAL 50 1.677 -6.812 2.786 380 H ARG 51 H ARG 51 1.950 -6.174 7.680 381 HA ARG 51 HA ARG 51 0.225 -3.877 7.626 382 1HB ARG 51 2HB ARG 51 2.381 -4.862 9.464 383 2HB ARG 51 1HB ARG 51 1.790 -3.214 9.602 384 1HG ARG 51 2HG ARG 51 0.053 -5.662 9.770 385 2HG ARG 51 1HG ARG 51 0.714 -4.788 11.149 386 1HD ARG 51 2HD ARG 51 -0.453 -2.762 10.422 387 2HD ARG 51 1HD ARG 51 -1.132 -3.654 9.062 388 HE ARG 51 HE ARG 51 -1.881 -5.103 11.252 389 1HH1 ARG 51 1HH1 ARG 51 -2.241 -1.764 10.274 390 2HH1 ARG 51 2HH1 ARG 51 -3.757 -1.539 11.089 391 1HH2 ARG 51 1HH2 ARG 51 -3.860 -4.811 12.369 392 2HH2 ARG 51 2HH2 ARG 51 -4.695 -3.290 12.248 393 H ILE 52 H ILE 52 0.668 -1.964 6.818 394 HA ILE 52 HA ILE 52 3.450 -1.287 6.186 395 HB ILE 52 HB ILE 52 2.651 -0.238 4.029 396 1HG1 ILE 52 2HG1 ILE 52 0.606 -1.613 3.094 397 2HG1 ILE 52 1HG1 ILE 52 0.182 -1.755 4.795 398 1HG2 ILE 52 1HG2 ILE 52 2.769 -2.344 2.774 399 2HG2 ILE 52 2HG2 ILE 52 2.544 -3.236 4.280 400 3HG2 ILE 52 3HG2 ILE 52 3.985 -2.247 4.048 401 1HD1 ILE 52 1HD1 ILE 52 0.570 0.824 3.292 402 2HD1 ILE 52 2HD1 ILE 52 0.101 0.666 4.986 403 3HD1 ILE 52 3HD1 ILE 52 -0.978 0.092 3.714 404 H LYS 53 H LYS 53 3.960 0.862 6.270 405 HA LYS 53 HA LYS 53 1.875 2.615 7.368 406 1HB LYS 53 2HB LYS 53 3.947 2.440 8.701 407 2HB LYS 53 1HB LYS 53 4.882 2.977 7.312 408 1HG LYS 53 2HG LYS 53 3.510 5.105 7.374 409 2HG LYS 53 1HG LYS 53 2.909 4.558 8.941 410 1HD LYS 53 2HD LYS 53 5.196 4.465 9.790 411 2HD LYS 53 1HD LYS 53 5.804 4.994 8.224 412 1HE LYS 53 2HE LYS 53 5.790 6.907 9.593 413 2HE LYS 53 1HE LYS 53 4.398 7.068 8.526 414 1HZ LYS 53 1HZ LYS 53 4.202 5.974 11.277 415 2HZ LYS 53 2HZ LYS 53 2.938 6.487 10.272 416 3HZ LYS 53 3HZ LYS 53 4.012 7.620 10.923 417 H VAL 54 H VAL 54 0.852 3.715 5.813 418 HA VAL 54 HA VAL 54 2.013 4.337 3.288 419 HB VAL 54 HB VAL 54 -0.386 5.598 4.649 420 1HG1 VAL 54 1HG1 VAL 54 0.497 5.696 1.765 421 2HG1 VAL 54 2HG1 VAL 54 0.490 7.043 2.906 422 3HG1 VAL 54 3HG1 VAL 54 -1.032 6.317 2.389 423 1HG2 VAL 54 1HG2 VAL 54 -0.199 3.350 2.649 424 2HG2 VAL 54 2HG2 VAL 54 -1.699 4.125 3.161 425 3HG2 VAL 54 3HG2 VAL 54 -0.724 3.231 4.328 426 H GLU 55 H GLU 55 3.559 5.740 2.992 427 HA GLU 55 HA GLU 55 4.276 7.514 5.185 428 1HB GLU 55 2HB GLU 55 6.419 7.725 3.864 429 2HB GLU 55 1HB GLU 55 6.047 6.113 4.454 430 1HG GLU 55 2HG GLU 55 5.159 5.556 2.212 431 2HG GLU 55 1HG GLU 55 5.676 7.145 1.653 432 H ARG 56 H ARG 56 3.233 7.652 1.871 433 HA ARG 56 HA ARG 56 2.997 10.529 1.967 434 1HB ARG 56 2HB ARG 56 5.359 10.256 1.404 435 2HB ARG 56 1HB ARG 56 4.943 9.169 0.092 436 1HG ARG 56 2HG ARG 56 3.848 10.994 -1.090 437 2HG ARG 56 1HG ARG 56 4.230 12.090 0.242 438 1HD ARG 56 2HD ARG 56 6.621 11.685 -0.122 439 2HD ARG 56 1HD ARG 56 6.232 10.604 -1.457 440 HE ARG 56 HE ARG 56 5.183 13.293 -1.712 441 1HH1 ARG 56 1HH1 ARG 56 7.847 11.118 -2.388 442 2HH1 ARG 56 2HH1 ARG 56 8.460 12.069 -3.710 443 1HH2 ARG 56 1HH2 ARG 56 6.000 14.558 -3.416 444 2HH2 ARG 56 2HH2 ARG 56 7.403 14.027 -4.291 445 H VAL 57 H VAL 57 1.295 11.137 0.755 446 HA VAL 57 HA VAL 57 0.253 9.148 -1.150 447 HB VAL 57 HB VAL 57 -2.003 10.009 -0.731 448 1HG1 VAL 57 1HG1 VAL 57 -1.180 8.111 0.572 449 2HG1 VAL 57 2HG1 VAL 57 -2.331 9.085 1.489 450 3HG1 VAL 57 3HG1 VAL 57 -0.601 9.219 1.817 451 1HG2 VAL 57 1HG2 VAL 57 -2.444 11.531 1.141 452 2HG2 VAL 57 2HG2 VAL 57 -1.462 12.298 -0.109 453 3HG2 VAL 57 3HG2 VAL 57 -0.706 11.730 1.380 454 H LEU 58 H LEU 58 -0.253 9.747 -3.148 455 HA LEU 58 HA LEU 58 -0.219 12.613 -3.824 456 1HB LEU 58 2HB LEU 58 0.713 10.279 -5.513 457 2HB LEU 58 1HB LEU 58 0.590 11.934 -6.077 458 HG LEU 58 HG LEU 58 2.434 10.989 -3.879 459 1HD1 LEU 58 1HD1 LEU 58 4.222 11.340 -5.495 460 2HD1 LEU 58 2HD1 LEU 58 3.035 11.740 -6.736 461 3HD1 LEU 58 3HD1 LEU 58 3.089 10.111 -6.061 462 1HD2 LEU 58 1HD2 LEU 58 1.785 13.297 -3.570 463 2HD2 LEU 58 2HD2 LEU 58 2.156 13.658 -5.256 464 3HD2 LEU 58 3HD2 LEU 58 3.450 13.220 -4.142 465 HA PRO 59 HA PRO 59 -4.361 12.168 -5.249 466 1HB PRO 59 2HB PRO 59 -3.504 13.412 -7.815 467 2HB PRO 59 1HB PRO 59 -4.803 13.882 -6.711 468 1HG PRO 59 2HG PRO 59 -2.543 15.272 -6.790 469 2HG PRO 59 1HG PRO 59 -3.350 14.944 -5.245 470 1HD PRO 59 2HD PRO 59 -0.924 13.655 -6.429 471 2HD PRO 59 1HD PRO 59 -1.263 14.084 -4.739 472 H LYS 60 H LYS 60 -1.773 10.852 -7.097 473 HA LYS 60 HA LYS 60 -3.609 9.346 -8.810 474 1HB LYS 60 2HB LYS 60 -1.721 10.570 -9.865 475 2HB LYS 60 1HB LYS 60 -0.597 9.567 -8.959 476 1HG LYS 60 2HG LYS 60 -0.777 8.740 -11.205 477 2HG LYS 60 1HG LYS 60 -1.504 7.576 -10.094 478 1HD LYS 60 2HD LYS 60 -3.725 8.458 -10.639 479 2HD LYS 60 1HD LYS 60 -2.988 9.596 -11.771 480 1HE LYS 60 2HE LYS 60 -2.063 7.668 -13.024 481 2HE LYS 60 1HE LYS 60 -2.935 6.587 -11.937 482 1HZ LYS 60 1HZ LYS 60 -5.009 7.612 -12.656 483 2HZ LYS 60 2HZ LYS 60 -4.171 6.935 -13.964 484 3HZ LYS 60 3HZ LYS 60 -4.159 8.618 -13.725 485 H PHE 61 H PHE 61 -1.231 8.933 -6.249 486 HA PHE 61 HA PHE 61 -2.034 6.295 -5.641 487 1HB PHE 61 2HB PHE 61 0.063 5.108 -6.255 488 2HB PHE 61 1HB PHE 61 -0.846 5.654 -7.657 489 HD1 PHE 61 HD1 PHE 61 2.154 6.260 -5.601 490 HD2 PHE 61 HD2 PHE 61 0.063 7.232 -9.180 491 HE1 PHE 61 HE1 PHE 61 4.162 7.382 -6.470 492 HE2 PHE 61 HE2 PHE 61 2.067 8.358 -10.050 493 HZ PHE 61 HZ PHE 61 4.120 8.433 -8.693 494 H ALA 62 H ALA 62 -0.299 5.256 -4.089 495 HA ALA 62 HA ALA 62 0.989 7.410 -2.549 496 1HB ALA 62 1HB ALA 62 -0.732 5.243 -1.354 497 2HB ALA 62 2HB ALA 62 -1.185 6.939 -1.524 498 3HB ALA 62 3HB ALA 62 0.148 6.486 -0.463 499 H PHE 63 H PHE 63 2.628 6.689 -1.056 500 HA PHE 63 HA PHE 63 3.861 4.120 -1.825 501 1HB PHE 63 2HB PHE 63 5.196 6.411 -0.367 502 2HB PHE 63 1HB PHE 63 5.972 5.009 -1.089 503 HD1 PHE 63 HD1 PHE 63 5.605 4.768 -3.689 504 HD2 PHE 63 HD2 PHE 63 5.212 8.384 -1.483 505 HE1 PHE 63 HE1 PHE 63 5.991 6.059 -5.747 506 HE2 PHE 63 HE2 PHE 63 5.593 9.685 -3.538 507 HZ PHE 63 HZ PHE 63 5.983 8.521 -5.674 508 H ALA 64 H ALA 64 4.673 2.755 -0.126 509 HA ALA 64 HA ALA 64 3.924 3.524 2.596 510 1HB ALA 64 1HB ALA 64 3.063 0.936 1.313 511 2HB ALA 64 2HB ALA 64 2.013 2.284 1.753 512 3HB ALA 64 3HB ALA 64 2.844 1.368 3.010 513 H SER 65 H SER 65 5.211 2.742 4.168 514 HA SER 65 HA SER 65 7.565 1.195 3.385 515 1HB SER 65 2HB SER 65 6.888 2.542 6.015 516 2HB SER 65 1HB SER 65 8.433 1.806 5.599 517 HG SER 65 HG SER 65 7.630 3.653 3.741 518 H VAL 66 H VAL 66 7.985 -0.861 4.193 519 HA VAL 66 HA VAL 66 5.658 -2.298 5.142 520 HB VAL 66 HB VAL 66 8.444 -3.373 4.708 521 1HG1 VAL 66 1HG1 VAL 66 5.758 -4.740 4.824 522 2HG1 VAL 66 2HG1 VAL 66 7.027 -4.824 6.046 523 3HG1 VAL 66 3HG1 VAL 66 7.292 -5.527 4.451 524 1HG2 VAL 66 1HG2 VAL 66 6.140 -3.260 2.765 525 2HG2 VAL 66 2HG2 VAL 66 7.682 -4.075 2.494 526 3HG2 VAL 66 3HG2 VAL 66 7.627 -2.319 2.663 527 H VAL 67 H VAL 67 5.172 -2.497 7.220 528 HA VAL 67 HA VAL 67 7.378 -2.460 9.176 529 HB VAL 67 HB VAL 67 5.762 -1.559 10.836 530 1HG1 VAL 67 1HG1 VAL 67 7.273 -0.043 9.691 531 2HG1 VAL 67 2HG1 VAL 67 5.712 0.740 9.944 532 3HG1 VAL 67 3HG1 VAL 67 6.135 0.111 8.351 533 1HG2 VAL 67 1HG2 VAL 67 3.696 -2.336 9.777 534 2HG2 VAL 67 2HG2 VAL 67 3.957 -1.208 8.447 535 3HG2 VAL 67 3HG2 VAL 67 3.655 -0.596 10.074 536 H GLU 68 H GLU 68 5.944 -4.634 7.708 537 HA GLU 68 HA GLU 68 4.633 -6.106 9.854 538 1HB GLU 68 2HB GLU 68 3.929 -5.976 7.313 539 2HB GLU 68 1HB GLU 68 5.141 -7.230 7.121 540 1HG GLU 68 2HG GLU 68 2.817 -7.419 9.021 541 2HG GLU 68 1HG GLU 68 2.803 -8.046 7.377 Start of MODEL 8 1 1H MET 1 1HT MET 1 -6.809 20.873 -2.663 2 2H MET 1 2HT MET 1 -6.755 20.707 -4.351 3 3H MET 1 3HT MET 1 -7.854 19.793 -3.442 4 HA MET 1 HA MET 1 -9.114 21.688 -2.861 5 1HB MET 1 2HB MET 1 -6.955 23.248 -4.300 6 2HB MET 1 1HB MET 1 -8.479 23.932 -3.759 7 1HG MET 1 2HG MET 1 -6.770 24.493 -2.191 8 2HG MET 1 1HG MET 1 -7.879 23.350 -1.440 9 1HE MET 1 1HE MET 1 -6.148 22.858 0.494 10 2HE MET 1 2HE MET 1 -5.034 24.023 -0.217 11 3HE MET 1 3HE MET 1 -4.466 22.412 0.215 12 H PHE 2 H PHE 2 -10.169 20.109 -4.286 13 HA PHE 2 HA PHE 2 -10.230 20.960 -7.114 14 1HB PHE 2 2HB PHE 2 -9.338 18.702 -6.742 15 2HB PHE 2 1HB PHE 2 -10.804 18.255 -5.883 16 HD1 PHE 2 HD1 PHE 2 -9.576 19.398 -9.196 17 HD2 PHE 2 HD2 PHE 2 -12.587 17.316 -7.023 18 HE1 PHE 2 HE1 PHE 2 -10.567 18.628 -11.311 19 HE2 PHE 2 HE2 PHE 2 -13.586 16.549 -9.135 20 HZ PHE 2 HZ PHE 2 -12.573 17.205 -11.283 21 H ARG 3 H ARG 3 -12.041 20.571 -4.247 22 HA ARG 3 HA ARG 3 -14.483 21.460 -5.567 23 1HB ARG 3 2HB ARG 3 -14.061 18.746 -4.509 24 2HB ARG 3 1HB ARG 3 -15.509 19.533 -3.905 25 1HG ARG 3 2HG ARG 3 -14.867 19.287 -6.831 26 2HG ARG 3 1HG ARG 3 -15.811 18.096 -5.935 27 1HD ARG 3 2HD ARG 3 -17.272 20.088 -5.229 28 2HD ARG 3 1HD ARG 3 -16.477 20.959 -6.539 29 HE ARG 3 HE ARG 3 -17.320 18.771 -7.810 30 1HH1 ARG 3 1HH1 ARG 3 -18.990 20.862 -5.542 31 2HH1 ARG 3 2HH1 ARG 3 -20.553 20.607 -6.269 32 1HH2 ARG 3 1HH2 ARG 3 -19.387 18.400 -8.725 33 2HH2 ARG 3 2HH2 ARG 3 -20.783 19.189 -8.059 34 H GLU 4 H GLU 4 -13.080 20.282 -2.585 35 HA GLU 4 HA GLU 4 -13.540 22.446 -0.922 36 1HB GLU 4 2HB GLU 4 -15.973 21.740 -1.488 37 2HB GLU 4 1HB GLU 4 -15.649 20.324 -0.499 38 1HG GLU 4 2HG GLU 4 -15.192 21.767 1.417 39 2HG GLU 4 1HG GLU 4 -15.525 23.185 0.421 40 H GLU 5 H GLU 5 -13.178 19.178 -1.661 41 HA GLU 5 HA GLU 5 -11.740 17.603 -0.976 42 1HB GLU 5 2HB GLU 5 -10.837 19.483 1.200 43 2HB GLU 5 1HB GLU 5 -9.978 18.081 0.570 44 1HG GLU 5 2HG GLU 5 -10.552 20.664 -0.850 45 2HG GLU 5 1HG GLU 5 -8.979 20.041 -0.355 46 H SER 6 H SER 6 -11.036 17.118 1.859 47 HA SER 6 HA SER 6 -11.721 15.419 3.179 48 1HB SER 6 2HB SER 6 -13.866 15.665 4.386 49 2HB SER 6 1HB SER 6 -12.955 17.170 4.379 50 HG SER 6 HG SER 6 -14.493 17.270 2.272 51 H ARG 7 H ARG 7 -11.865 15.165 0.421 52 HA ARG 7 HA ARG 7 -14.261 13.643 -0.217 53 1HB ARG 7 2HB ARG 7 -11.820 14.352 -1.869 54 2HB ARG 7 1HB ARG 7 -13.230 13.496 -2.478 55 1HG ARG 7 2HG ARG 7 -14.629 15.403 -2.126 56 2HG ARG 7 1HG ARG 7 -13.331 16.263 -1.297 57 1HD ARG 7 2HD ARG 7 -13.255 15.383 -4.178 58 2HD ARG 7 1HD ARG 7 -13.669 17.005 -3.635 59 HE ARG 7 HE ARG 7 -11.360 17.066 -2.667 60 1HH1 ARG 7 1HH1 ARG 7 -12.142 15.040 -5.415 61 2HH1 ARG 7 2HH1 ARG 7 -10.501 14.983 -5.995 62 1HH2 ARG 7 1HH2 ARG 7 -9.216 17.033 -3.437 63 2HH2 ARG 7 2HH2 ARG 7 -8.838 16.123 -4.880 64 H SER 8 H SER 8 -12.964 11.807 -2.026 65 HA SER 8 HA SER 8 -12.650 9.642 -0.260 66 1HB SER 8 2HB SER 8 -13.511 9.289 -2.494 67 2HB SER 8 1HB SER 8 -12.019 9.895 -3.209 68 HG SER 8 HG SER 8 -12.389 7.492 -1.729 69 H VAL 9 H VAL 9 -11.017 9.751 1.141 70 HA VAL 9 HA VAL 9 -8.355 9.289 0.022 71 HB VAL 9 HB VAL 9 -7.406 10.514 2.089 72 1HG1 VAL 9 1HG1 VAL 9 -7.394 12.672 0.899 73 2HG1 VAL 9 2HG1 VAL 9 -8.663 12.070 -0.168 74 3HG1 VAL 9 3HG1 VAL 9 -7.073 11.309 -0.176 75 1HG2 VAL 9 1HG2 VAL 9 -10.121 11.827 1.942 76 2HG2 VAL 9 2HG2 VAL 9 -8.754 12.405 2.892 77 3HG2 VAL 9 3HG2 VAL 9 -9.505 10.857 3.281 78 HA PRO 10 HA PRO 10 -9.696 5.977 2.847 79 1HB PRO 10 2HB PRO 10 -8.571 3.944 1.494 80 2HB PRO 10 1HB PRO 10 -10.083 4.696 0.973 81 1HG PRO 10 2HG PRO 10 -7.301 5.139 -0.043 82 2HG PRO 10 1HG PRO 10 -8.808 4.946 -0.957 83 1HD PRO 10 2HD PRO 10 -7.676 7.370 -0.434 84 2HD PRO 10 1HD PRO 10 -9.424 7.138 -0.646 85 H VAL 11 H VAL 11 -6.571 7.030 1.897 86 HA VAL 11 HA VAL 11 -5.413 5.703 4.244 87 HB VAL 11 HB VAL 11 -3.262 5.460 3.010 88 1HG1 VAL 11 1HG1 VAL 11 -5.627 3.963 1.893 89 2HG1 VAL 11 2HG1 VAL 11 -4.692 3.541 3.329 90 3HG1 VAL 11 3HG1 VAL 11 -3.941 3.466 1.733 91 1HG2 VAL 11 1HG2 VAL 11 -3.643 7.084 1.236 92 2HG2 VAL 11 2HG2 VAL 11 -4.952 6.094 0.590 93 3HG2 VAL 11 3HG2 VAL 11 -3.293 5.495 0.558 94 H GLU 12 H GLU 12 -3.942 6.882 5.400 95 HA GLU 12 HA GLU 12 -3.524 9.663 4.524 96 1HB GLU 12 2HB GLU 12 -3.979 8.611 7.320 97 2HB GLU 12 1HB GLU 12 -3.557 10.275 6.933 98 1HG GLU 12 2HG GLU 12 -5.619 10.597 5.770 99 2HG GLU 12 1HG GLU 12 -6.018 8.885 5.904 100 H GLU 13 H GLU 13 -1.544 10.626 5.046 101 HA GLU 13 HA GLU 13 0.684 8.904 4.886 102 1HB GLU 13 2HB GLU 13 0.629 11.852 5.554 103 2HB GLU 13 1HB GLU 13 2.030 10.935 5.011 104 1HG GLU 13 2HG GLU 13 0.871 10.467 2.890 105 2HG GLU 13 1HG GLU 13 -0.481 11.456 3.434 106 H GLY 14 H GLY 14 1.891 7.986 6.376 107 1HA GLY 14 2HA GLY 14 3.028 7.754 8.398 108 2HA GLY 14 1HA GLY 14 2.117 9.105 9.053 109 H GLU 15 H GLU 15 0.546 6.431 7.424 110 HA GLU 15 HA GLU 15 -0.435 5.556 10.072 111 1HB GLU 15 2HB GLU 15 -2.038 6.018 7.587 112 2HB GLU 15 1HB GLU 15 -2.615 4.988 8.877 113 1HG GLU 15 2HG GLU 15 -1.882 7.891 9.174 114 2HG GLU 15 1HG GLU 15 -3.522 7.256 9.029 115 H VAL 16 H VAL 16 -1.292 3.432 10.160 116 HA VAL 16 HA VAL 16 0.217 1.612 8.407 117 HB VAL 16 HB VAL 16 -0.514 1.173 11.311 118 1HG1 VAL 16 1HG1 VAL 16 0.962 -0.786 11.158 119 2HG1 VAL 16 2HG1 VAL 16 1.175 -0.481 9.435 120 3HG1 VAL 16 3HG1 VAL 16 -0.414 -0.913 10.062 121 1HG2 VAL 16 1HG2 VAL 16 1.882 1.424 11.766 122 2HG2 VAL 16 2HG2 VAL 16 1.201 2.896 11.072 123 3HG2 VAL 16 3HG2 VAL 16 2.163 1.812 10.069 124 H TYR 17 H TYR 17 -0.882 0.069 7.380 125 HA TYR 17 HA TYR 17 -3.636 -0.522 8.233 126 1HB TYR 17 2HB TYR 17 -2.757 -0.074 5.368 127 2HB TYR 17 1HB TYR 17 -4.371 -0.531 5.892 128 HD1 TYR 17 HD1 TYR 17 -1.961 2.188 5.584 129 HD2 TYR 17 HD2 TYR 17 -5.842 1.117 6.959 130 HE1 TYR 17 HE1 TYR 17 -2.558 4.568 5.729 131 HE2 TYR 17 HE2 TYR 17 -6.452 3.495 7.112 132 HH TYR 17 HH TYR 17 -5.364 5.675 7.330 133 H ASP 18 H ASP 18 -4.376 -2.605 7.719 134 HA ASP 18 HA ASP 18 -2.249 -4.562 7.201 135 1HB ASP 18 2HB ASP 18 -3.724 -4.931 9.160 136 2HB ASP 18 1HB ASP 18 -5.122 -4.969 8.092 137 H VAL 19 H VAL 19 -1.940 -5.045 5.104 138 HA VAL 19 HA VAL 19 -4.319 -5.234 3.386 139 HB VAL 19 HB VAL 19 -3.099 -4.168 1.539 140 1HG1 VAL 19 1HG1 VAL 19 -4.588 -2.809 2.882 141 2HG1 VAL 19 2HG1 VAL 19 -3.191 -1.860 2.373 142 3HG1 VAL 19 3HG1 VAL 19 -3.286 -2.471 4.024 143 1HG2 VAL 19 1HG2 VAL 19 -0.819 -4.668 2.242 144 2HG2 VAL 19 2HG2 VAL 19 -0.987 -3.574 3.614 145 3HG2 VAL 19 3HG2 VAL 19 -1.025 -2.938 1.970 146 H THR 20 H THR 20 -4.317 -6.805 1.873 147 HA THR 20 HA THR 20 -1.989 -8.569 1.697 148 HB THR 20 HB THR 20 -4.722 -8.862 0.418 149 HG1 THR 20 HG1 THR 20 -4.188 -8.997 2.948 150 1HG2 THR 20 1HG2 THR 20 -4.087 -11.226 0.178 151 2HG2 THR 20 2HG2 THR 20 -2.494 -10.861 0.842 152 3HG2 THR 20 3HG2 THR 20 -2.987 -10.166 -0.703 153 H ILE 21 H ILE 21 -0.794 -8.752 -0.194 154 HA ILE 21 HA ILE 21 -0.997 -6.507 -1.996 155 HB ILE 21 HB ILE 21 0.920 -8.844 -2.062 156 1HG1 ILE 21 2HG1 ILE 21 1.067 -7.592 0.041 157 2HG1 ILE 21 1HG1 ILE 21 2.493 -7.318 -0.952 158 1HG2 ILE 21 1HG2 ILE 21 2.320 -7.375 -3.435 159 2HG2 ILE 21 2HG2 ILE 21 1.054 -6.147 -3.404 160 3HG2 ILE 21 3HG2 ILE 21 0.764 -7.693 -4.203 161 1HD1 ILE 21 1HD1 ILE 21 1.598 -5.162 -1.650 162 2HD1 ILE 21 2HD1 ILE 21 1.742 -5.266 0.104 163 3HD1 ILE 21 3HD1 ILE 21 0.163 -5.440 -0.665 164 H GLN 22 H GLN 22 -2.000 -6.469 -3.898 165 HA GLN 22 HA GLN 22 -3.461 -8.770 -4.791 166 1HB GLN 22 2HB GLN 22 -3.196 -5.944 -5.779 167 2HB GLN 22 1HB GLN 22 -4.011 -7.153 -6.753 168 1HG GLN 22 2HG GLN 22 -5.571 -5.799 -5.444 169 2HG GLN 22 1HG GLN 22 -5.649 -7.505 -5.012 170 1HE2 GLN 22 1HE2 GLN 22 -5.103 -8.144 -2.990 171 2HE2 GLN 22 2HE2 GLN 22 -4.711 -7.043 -1.709 172 H ASP 23 H ASP 23 -0.951 -6.740 -6.294 173 HA ASP 23 HA ASP 23 -0.026 -9.080 -7.792 174 1HB ASP 23 2HB ASP 23 -0.931 -6.477 -9.003 175 2HB ASP 23 1HB ASP 23 0.230 -7.515 -9.823 176 H ILE 24 H ILE 24 1.942 -8.210 -9.224 177 HA ILE 24 HA ILE 24 3.668 -6.621 -7.454 178 HB ILE 24 HB ILE 24 4.415 -9.097 -9.030 179 1HG1 ILE 24 2HG1 ILE 24 3.311 -9.524 -6.858 180 2HG1 ILE 24 1HG1 ILE 24 4.981 -10.069 -6.871 181 1HG2 ILE 24 1HG2 ILE 24 6.180 -7.437 -9.210 182 2HG2 ILE 24 2HG2 ILE 24 6.689 -8.776 -8.181 183 3HG2 ILE 24 3HG2 ILE 24 6.198 -7.245 -7.457 184 1HD1 ILE 24 1HD1 ILE 24 5.621 -8.028 -5.651 185 2HD1 ILE 24 2HD1 ILE 24 4.467 -9.031 -4.769 186 3HD1 ILE 24 3HD1 ILE 24 3.919 -7.565 -5.587 187 H ALA 25 H ALA 25 4.558 -4.932 -8.427 188 HA ALA 25 HA ALA 25 4.143 -4.575 -11.274 189 1HB ALA 25 1HB ALA 25 3.664 -2.762 -9.697 190 2HB ALA 25 2HB ALA 25 4.882 -2.302 -10.887 191 3HB ALA 25 3HB ALA 25 5.367 -2.717 -9.242 192 H ARG 26 H ARG 26 5.805 -4.190 -12.757 193 HA ARG 26 HA ARG 26 7.907 -6.034 -12.541 194 1HB ARG 26 2HB ARG 26 6.733 -4.970 -14.614 195 2HB ARG 26 1HB ARG 26 8.006 -3.764 -14.487 196 1HG ARG 26 2HG ARG 26 9.695 -5.499 -14.711 197 2HG ARG 26 1HG ARG 26 8.431 -6.728 -14.793 198 1HD ARG 26 2HD ARG 26 7.523 -5.420 -16.781 199 2HD ARG 26 1HD ARG 26 9.065 -4.564 -16.777 200 HE ARG 26 HE ARG 26 9.321 -7.437 -16.793 201 1HH1 ARG 26 1HH1 ARG 26 9.017 -4.541 -18.765 202 2HH1 ARG 26 2HH1 ARG 26 9.615 -5.326 -20.201 203 1HH2 ARG 26 1HH2 ARG 26 10.104 -8.439 -18.705 204 2HH2 ARG 26 2HH2 ARG 26 10.224 -7.501 -20.170 205 H GLN 27 H GLN 27 7.721 -2.812 -11.444 206 HA GLN 27 HA GLN 27 10.479 -2.145 -11.536 207 1HB GLN 27 2HB GLN 27 8.293 -1.106 -9.725 208 2HB GLN 27 1HB GLN 27 9.888 -0.388 -9.903 209 1HG GLN 27 2HG GLN 27 7.812 -0.641 -12.070 210 2HG GLN 27 1HG GLN 27 8.205 0.824 -11.173 211 1HE2 GLN 27 1HE2 GLN 27 11.081 0.225 -11.161 212 2HE2 GLN 27 2HE2 GLN 27 11.634 0.554 -12.768 213 H GLY 28 H GLY 28 8.589 -4.157 -9.477 214 1HA GLY 28 2HA GLY 28 9.696 -5.681 -7.964 215 2HA GLY 28 1HA GLY 28 10.889 -4.429 -7.648 216 H ASP 29 H ASP 29 7.662 -3.372 -7.855 217 HA ASP 29 HA ASP 29 7.499 -3.199 -4.922 218 1HB ASP 29 2HB ASP 29 6.210 -1.378 -6.971 219 2HB ASP 29 1HB ASP 29 6.116 -1.200 -5.222 220 H GLY 30 H GLY 30 5.411 -3.493 -3.980 221 1HA GLY 30 2HA GLY 30 3.782 -5.368 -5.520 222 2HA GLY 30 1HA GLY 30 3.680 -5.074 -3.788 223 H ILE 31 H ILE 31 1.631 -5.124 -5.935 224 HA ILE 31 HA ILE 31 0.682 -2.349 -5.863 225 HB ILE 31 HB ILE 31 -0.332 -4.684 -7.501 226 1HG1 ILE 31 2HG1 ILE 31 1.301 -2.282 -8.356 227 2HG1 ILE 31 1HG1 ILE 31 1.943 -3.905 -8.132 228 1HG2 ILE 31 1HG2 ILE 31 -1.604 -2.981 -8.740 229 2HG2 ILE 31 2HG2 ILE 31 -1.053 -1.756 -7.598 230 3HG2 ILE 31 3HG2 ILE 31 -2.091 -3.070 -7.047 231 1HD1 ILE 31 1HD1 ILE 31 1.560 -3.429 -10.476 232 2HD1 ILE 31 2HD1 ILE 31 -0.137 -3.089 -10.146 233 3HD1 ILE 31 3HD1 ILE 31 0.494 -4.719 -9.922 234 H ALA 32 H ALA 32 -0.474 -1.945 -4.109 235 HA ALA 32 HA ALA 32 -2.527 -3.900 -3.297 236 1HB ALA 32 1HB ALA 32 -2.525 -2.800 -1.112 237 2HB ALA 32 2HB ALA 32 -1.295 -1.668 -1.673 238 3HB ALA 32 3HB ALA 32 -0.913 -3.383 -1.524 239 H ARG 33 H ARG 33 -4.575 -2.872 -2.498 240 HA ARG 33 HA ARG 33 -5.132 -0.268 -3.697 241 1HB ARG 33 2HB ARG 33 -7.162 -1.159 -4.813 242 2HB ARG 33 1HB ARG 33 -5.679 -1.840 -5.473 243 1HG ARG 33 2HG ARG 33 -6.003 -3.860 -4.183 244 2HG ARG 33 1HG ARG 33 -7.448 -3.179 -3.443 245 1HD ARG 33 2HD ARG 33 -8.442 -3.019 -5.725 246 2HD ARG 33 1HD ARG 33 -7.041 -3.899 -6.338 247 HE ARG 33 HE ARG 33 -7.976 -5.458 -4.304 248 1HH1 ARG 33 1HH1 ARG 33 -9.307 -4.215 -7.289 249 2HH1 ARG 33 2HH1 ARG 33 -10.527 -5.445 -7.403 250 1HH2 ARG 33 1HH2 ARG 33 -9.530 -7.090 -4.459 251 2HH2 ARG 33 2HH2 ARG 33 -10.654 -7.100 -5.790 252 H ILE 34 H ILE 34 -6.414 0.931 -2.411 253 HA ILE 34 HA ILE 34 -8.310 -0.502 -0.668 254 HB ILE 34 HB ILE 34 -6.683 1.926 0.097 255 1HG1 ILE 34 2HG1 ILE 34 -6.892 -0.864 1.251 256 2HG1 ILE 34 1HG1 ILE 34 -5.513 -0.189 0.397 257 1HG2 ILE 34 1HG2 ILE 34 -7.946 1.930 2.196 258 2HG2 ILE 34 2HG2 ILE 34 -8.970 0.630 1.585 259 3HG2 ILE 34 3HG2 ILE 34 -9.000 2.216 0.812 260 1HD1 ILE 34 1HD1 ILE 34 -5.207 1.436 2.202 261 2HD1 ILE 34 2HD1 ILE 34 -5.112 -0.230 2.779 262 3HD1 ILE 34 3HD1 ILE 34 -6.571 0.720 3.060 263 H GLU 35 H GLU 35 -10.294 -0.027 -1.148 264 HA GLU 35 HA GLU 35 -12.111 0.910 -2.132 265 1HB GLU 35 2HB GLU 35 -11.680 2.569 -0.305 266 2HB GLU 35 1HB GLU 35 -10.767 3.538 -1.452 267 1HG GLU 35 2HG GLU 35 -12.695 3.984 -2.745 268 2HG GLU 35 1HG GLU 35 -13.646 2.789 -1.868 269 H GLY 36 H GLY 36 -9.700 0.325 -3.709 270 1HA GLY 36 2HA GLY 36 -9.530 0.300 -6.055 271 2HA GLY 36 1HA GLY 36 -10.522 1.747 -6.123 272 H PHE 37 H PHE 37 -8.591 2.721 -3.865 273 HA PHE 37 HA PHE 37 -6.900 4.206 -5.645 274 1HB PHE 37 2HB PHE 37 -7.923 5.069 -3.485 275 2HB PHE 37 1HB PHE 37 -6.739 4.092 -2.627 276 HD1 PHE 37 HD1 PHE 37 -5.128 5.417 -1.694 277 HD2 PHE 37 HD2 PHE 37 -6.540 6.342 -5.605 278 HE1 PHE 37 HE1 PHE 37 -3.517 7.269 -1.837 279 HE2 PHE 37 HE2 PHE 37 -4.927 8.193 -5.754 280 HZ PHE 37 HZ PHE 37 -3.413 8.658 -3.868 281 H VAL 38 H VAL 38 -4.981 3.594 -6.381 282 HA VAL 38 HA VAL 38 -3.924 1.041 -5.566 283 HB VAL 38 HB VAL 38 -2.817 3.016 -7.574 284 1HG1 VAL 38 1HG1 VAL 38 -2.232 0.088 -7.153 285 2HG1 VAL 38 2HG1 VAL 38 -1.135 1.433 -6.842 286 3HG1 VAL 38 3HG1 VAL 38 -1.634 1.066 -8.494 287 1HG2 VAL 38 1HG2 VAL 38 -4.631 0.638 -7.975 288 2HG2 VAL 38 2HG2 VAL 38 -3.893 1.592 -9.263 289 3HG2 VAL 38 3HG2 VAL 38 -5.067 2.335 -8.177 290 H ILE 39 H ILE 39 -2.325 0.637 -4.235 291 HA ILE 39 HA ILE 39 -0.595 2.854 -3.339 292 HB ILE 39 HB ILE 39 -1.345 0.437 -1.683 293 1HG1 ILE 39 2HG1 ILE 39 -2.542 3.220 -1.549 294 2HG1 ILE 39 1HG1 ILE 39 -3.361 1.798 -2.183 295 1HG2 ILE 39 1HG2 ILE 39 -0.092 3.086 -0.961 296 2HG2 ILE 39 2HG2 ILE 39 0.738 1.535 -1.064 297 3HG2 ILE 39 3HG2 ILE 39 -0.491 1.794 0.175 298 1HD1 ILE 39 1HD1 ILE 39 -4.090 2.297 0.070 299 2HD1 ILE 39 2HD1 ILE 39 -2.428 2.185 0.648 300 3HD1 ILE 39 3HD1 ILE 39 -3.240 0.752 0.018 301 H PHE 40 H PHE 40 1.550 2.529 -3.610 302 HA PHE 40 HA PHE 40 2.410 -0.130 -4.512 303 1HB PHE 40 2HB PHE 40 3.699 2.587 -4.822 304 2HB PHE 40 1HB PHE 40 4.453 1.078 -5.329 305 HD1 PHE 40 HD1 PHE 40 2.083 3.659 -6.170 306 HD2 PHE 40 HD2 PHE 40 3.360 -0.291 -7.112 307 HE1 PHE 40 HE1 PHE 40 0.919 3.803 -8.333 308 HE2 PHE 40 HE2 PHE 40 2.202 -0.152 -9.279 309 HZ PHE 40 HZ PHE 40 0.979 1.901 -9.890 310 H VAL 41 H VAL 41 3.594 -1.376 -3.259 311 HA VAL 41 HA VAL 41 4.988 -0.167 -0.960 312 HB VAL 41 HB VAL 41 3.698 -2.906 -0.990 313 1HG1 VAL 41 1HG1 VAL 41 4.916 -1.298 1.258 314 2HG1 VAL 41 2HG1 VAL 41 5.635 -2.717 0.497 315 3HG1 VAL 41 3HG1 VAL 41 4.141 -2.872 1.419 316 1HG2 VAL 41 1HG2 VAL 41 2.735 -0.358 0.316 317 2HG2 VAL 41 2HG2 VAL 41 2.011 -1.953 0.516 318 3HG2 VAL 41 3HG2 VAL 41 1.983 -1.165 -1.062 319 HA PRO 42 HA PRO 42 8.417 -1.938 -3.293 320 1HB PRO 42 2HB PRO 42 9.906 -0.916 -0.944 321 2HB PRO 42 1HB PRO 42 10.164 -0.605 -2.664 322 1HG PRO 42 2HG PRO 42 9.112 1.260 -1.071 323 2HG PRO 42 1HG PRO 42 8.555 1.052 -2.743 324 1HD PRO 42 2HD PRO 42 7.258 0.178 -0.193 325 2HD PRO 42 1HD PRO 42 6.524 0.848 -1.664 326 H GLY 43 H GLY 43 8.938 -4.019 -3.228 327 1HA GLY 43 2HA GLY 43 9.942 -5.942 -2.445 328 2HA GLY 43 1HA GLY 43 10.235 -5.119 -0.922 329 H THR 44 H THR 44 7.452 -6.349 -2.780 330 HA THR 44 HA THR 44 6.633 -7.825 -0.383 331 HB THR 44 HB THR 44 4.217 -7.328 -1.221 332 HG1 THR 44 HG1 THR 44 5.280 -4.850 -1.986 333 1HG2 THR 44 1HG2 THR 44 4.084 -5.379 0.242 334 2HG2 THR 44 2HG2 THR 44 5.837 -5.201 0.180 335 3HG2 THR 44 3HG2 THR 44 5.123 -6.619 0.947 336 H LYS 45 H LYS 45 4.434 -9.144 -1.370 337 HA LYS 45 HA LYS 45 5.316 -10.462 -3.826 338 1HB LYS 45 2HB LYS 45 6.445 -11.625 -1.983 339 2HB LYS 45 1HB LYS 45 4.897 -11.892 -1.197 340 1HG LYS 45 2HG LYS 45 4.205 -13.415 -2.854 341 2HG LYS 45 1HG LYS 45 5.526 -12.953 -3.932 342 1HD LYS 45 2HD LYS 45 5.986 -15.087 -2.870 343 2HD LYS 45 1HD LYS 45 7.138 -13.861 -2.339 344 1HE LYS 45 2HE LYS 45 5.753 -13.529 -0.298 345 2HE LYS 45 1HE LYS 45 4.739 -14.876 -0.816 346 1HZ LYS 45 1HZ LYS 45 6.368 -15.622 0.771 347 2HZ LYS 45 2HZ LYS 45 7.636 -15.001 -0.167 348 3HZ LYS 45 3HZ LYS 45 6.713 -16.306 -0.743 349 H VAL 46 H VAL 46 3.679 -11.775 -4.824 350 HA VAL 46 HA VAL 46 1.084 -10.733 -4.703 351 HB VAL 46 HB VAL 46 1.901 -13.450 -5.755 352 1HG1 VAL 46 1HG1 VAL 46 -0.500 -13.276 -5.478 353 2HG1 VAL 46 2HG1 VAL 46 -0.086 -13.232 -7.192 354 3HG1 VAL 46 3HG1 VAL 46 -0.515 -11.741 -6.349 355 1HG2 VAL 46 1HG2 VAL 46 1.736 -10.798 -7.182 356 2HG2 VAL 46 2HG2 VAL 46 2.072 -12.357 -7.935 357 3HG2 VAL 46 3HG2 VAL 46 3.213 -11.672 -6.778 358 H GLY 47 H GLY 47 -0.442 -10.974 -3.225 359 1HA GLY 47 2HA GLY 47 -1.951 -12.088 -1.868 360 2HA GLY 47 1HA GLY 47 -1.076 -13.583 -2.167 361 H ASP 48 H ASP 48 1.111 -11.248 -1.234 362 HA ASP 48 HA ASP 48 1.480 -12.519 1.314 363 1HB ASP 48 2HB ASP 48 3.334 -11.610 -0.193 364 2HB ASP 48 1HB ASP 48 2.874 -10.010 0.379 365 H GLU 49 H GLU 49 0.531 -11.976 3.146 366 HA GLU 49 HA GLU 49 -0.997 -9.510 3.291 367 1HB GLU 49 2HB GLU 49 -0.741 -11.778 5.270 368 2HB GLU 49 1HB GLU 49 -1.864 -10.430 5.400 369 1HG GLU 49 2HG GLU 49 -2.930 -11.155 3.301 370 2HG GLU 49 1HG GLU 49 -1.840 -12.540 3.254 371 H VAL 50 H VAL 50 0.098 -7.748 3.815 372 HA VAL 50 HA VAL 50 2.043 -7.932 6.005 373 HB VAL 50 HB VAL 50 3.430 -6.211 4.796 374 1HG1 VAL 50 1HG1 VAL 50 3.149 -8.909 3.478 375 2HG1 VAL 50 2HG1 VAL 50 4.103 -8.551 4.917 376 3HG1 VAL 50 3HG1 VAL 50 4.550 -7.846 3.364 377 1HG2 VAL 50 1HG2 VAL 50 1.780 -5.439 3.194 378 2HG2 VAL 50 2HG2 VAL 50 1.708 -7.043 2.464 379 3HG2 VAL 50 3HG2 VAL 50 3.187 -6.091 2.351 380 H ARG 51 H ARG 51 2.217 -6.169 7.335 381 HA ARG 51 HA ARG 51 0.065 -4.207 7.079 382 1HB ARG 51 2HB ARG 51 1.840 -4.957 9.413 383 2HB ARG 51 1HB ARG 51 0.611 -3.692 9.462 384 1HG ARG 51 2HG ARG 51 -1.139 -5.223 9.193 385 2HG ARG 51 1HG ARG 51 -0.052 -6.498 8.653 386 1HD ARG 51 2HD ARG 51 0.918 -6.575 10.928 387 2HD ARG 51 1HD ARG 51 -0.273 -5.377 11.443 388 HE ARG 51 HE ARG 51 -1.928 -7.151 10.525 389 1HH1 ARG 51 1HH1 ARG 51 1.036 -7.811 12.280 390 2HH1 ARG 51 2HH1 ARG 51 0.488 -9.350 12.880 391 1HH2 ARG 51 1HH2 ARG 51 -2.647 -9.155 11.299 392 2HH2 ARG 51 2HH2 ARG 51 -1.618 -10.119 12.319 393 H ILE 52 H ILE 52 0.505 -2.286 6.313 394 HA ILE 52 HA ILE 52 3.344 -1.539 6.047 395 HB ILE 52 HB ILE 52 2.741 -0.434 3.935 396 1HG1 ILE 52 2HG1 ILE 52 0.019 -1.707 4.325 397 2HG1 ILE 52 1HG1 ILE 52 0.359 0.006 4.533 398 1HG2 ILE 52 1HG2 ILE 52 2.366 -2.466 2.603 399 2HG2 ILE 52 2HG2 ILE 52 1.932 -3.338 4.074 400 3HG2 ILE 52 3HG2 ILE 52 3.570 -2.716 3.868 401 1HD1 ILE 52 1HD1 ILE 52 0.958 0.181 2.187 402 2HD1 ILE 52 2HD1 ILE 52 -0.676 -0.454 2.384 403 3HD1 ILE 52 3HD1 ILE 52 0.652 -1.543 1.976 404 H LYS 53 H LYS 53 3.867 0.669 6.076 405 HA LYS 53 HA LYS 53 1.803 2.398 7.248 406 1HB LYS 53 2HB LYS 53 3.882 2.263 8.572 407 2HB LYS 53 1HB LYS 53 4.807 2.799 7.173 408 1HG LYS 53 2HG LYS 53 3.285 4.872 7.215 409 2HG LYS 53 1HG LYS 53 2.866 4.355 8.847 410 1HD LYS 53 2HD LYS 53 5.698 4.790 7.922 411 2HD LYS 53 1HD LYS 53 4.720 6.052 8.668 412 1HE LYS 53 2HE LYS 53 4.486 4.711 10.678 413 2HE LYS 53 1HE LYS 53 5.413 3.404 9.932 414 1HZ LYS 53 1HZ LYS 53 7.301 4.947 9.756 415 2HZ LYS 53 2HZ LYS 53 6.833 4.692 11.362 416 3HZ LYS 53 3HZ LYS 53 6.407 6.132 10.575 417 H VAL 54 H VAL 54 0.812 3.670 5.840 418 HA VAL 54 HA VAL 54 1.856 4.249 3.253 419 HB VAL 54 HB VAL 54 -0.387 5.607 4.771 420 1HG1 VAL 54 1HG1 VAL 54 -1.092 6.450 2.575 421 2HG1 VAL 54 2HG1 VAL 54 0.360 5.757 1.851 422 3HG1 VAL 54 3HG1 VAL 54 0.498 7.061 3.032 423 1HG2 VAL 54 1HG2 VAL 54 -0.796 3.238 4.348 424 2HG2 VAL 54 2HG2 VAL 54 -0.451 3.479 2.635 425 3HG2 VAL 54 3HG2 VAL 54 -1.857 4.250 3.369 426 H GLU 55 H GLU 55 3.384 5.602 2.811 427 HA GLU 55 HA GLU 55 4.350 7.437 4.853 428 1HB GLU 55 2HB GLU 55 5.468 6.310 2.301 429 2HB GLU 55 1HB GLU 55 6.240 7.666 3.108 430 1HG GLU 55 2HG GLU 55 5.659 5.120 4.568 431 2HG GLU 55 1HG GLU 55 7.102 5.302 3.571 432 H ARG 56 H ARG 56 3.264 7.451 1.480 433 HA ARG 56 HA ARG 56 3.021 10.377 1.605 434 1HB ARG 56 2HB ARG 56 4.105 9.007 -0.847 435 2HB ARG 56 1HB ARG 56 4.165 10.713 -0.432 436 1HG ARG 56 2HG ARG 56 5.837 10.328 1.219 437 2HG ARG 56 1HG ARG 56 5.668 8.578 1.063 438 1HD ARG 56 2HD ARG 56 6.289 8.984 -1.411 439 2HD ARG 56 1HD ARG 56 6.885 10.541 -0.838 440 HE ARG 56 HE ARG 56 8.101 8.862 0.855 441 1HH1 ARG 56 1HH1 ARG 56 7.781 8.779 -2.639 442 2HH1 ARG 56 2HH1 ARG 56 9.263 7.902 -2.883 443 1HH2 ARG 56 1HH2 ARG 56 10.037 7.667 0.536 444 2HH2 ARG 56 2HH2 ARG 56 10.530 7.244 -1.076 445 H VAL 57 H VAL 57 1.325 11.210 0.434 446 HA VAL 57 HA VAL 57 -0.229 9.297 -1.182 447 HB VAL 57 HB VAL 57 -2.323 10.450 -0.542 448 1HG1 VAL 57 1HG1 VAL 57 -0.747 9.300 1.752 449 2HG1 VAL 57 2HG1 VAL 57 -1.722 8.404 0.586 450 3HG1 VAL 57 3HG1 VAL 57 -2.497 9.507 1.721 451 1HG2 VAL 57 1HG2 VAL 57 -2.375 11.907 1.421 452 2HG2 VAL 57 2HG2 VAL 57 -1.412 12.613 0.124 453 3HG2 VAL 57 3HG2 VAL 57 -0.612 11.863 1.504 454 H LEU 58 H LEU 58 -0.220 9.844 -3.213 455 HA LEU 58 HA LEU 58 0.004 12.693 -3.926 456 1HB LEU 58 2HB LEU 58 0.911 10.247 -5.460 457 2HB LEU 58 1HB LEU 58 0.943 11.880 -6.095 458 HG LEU 58 HG LEU 58 2.475 12.415 -4.086 459 1HD1 LEU 58 1HD1 LEU 58 3.812 10.536 -3.286 460 2HD1 LEU 58 2HD1 LEU 58 2.779 9.417 -4.175 461 3HD1 LEU 58 3HD1 LEU 58 2.115 10.357 -2.838 462 1HD2 LEU 58 1HD2 LEU 58 3.444 10.644 -6.322 463 2HD2 LEU 58 2HD2 LEU 58 4.440 11.725 -5.347 464 3HD2 LEU 58 3HD2 LEU 58 3.199 12.389 -6.410 465 HA PRO 59 HA PRO 59 -3.939 12.368 -5.933 466 1HB PRO 59 2HB PRO 59 -3.604 14.108 -8.003 467 2HB PRO 59 1HB PRO 59 -3.863 14.624 -6.333 468 1HG PRO 59 2HG PRO 59 -1.308 14.409 -7.877 469 2HG PRO 59 1HG PRO 59 -1.846 15.689 -6.774 470 1HD PRO 59 2HD PRO 59 -0.092 13.775 -6.027 471 2HD PRO 59 1HD PRO 59 -1.259 14.486 -4.894 472 H LYS 60 H LYS 60 -1.319 10.895 -7.008 473 HA LYS 60 HA LYS 60 -2.542 9.997 -9.529 474 1HB LYS 60 2HB LYS 60 0.376 10.154 -8.749 475 2HB LYS 60 1HB LYS 60 -0.211 9.368 -10.208 476 1HG LYS 60 2HG LYS 60 -0.980 11.426 -11.108 477 2HG LYS 60 1HG LYS 60 -0.721 12.262 -9.575 478 1HD LYS 60 2HD LYS 60 1.647 12.063 -9.777 479 2HD LYS 60 1HD LYS 60 1.497 10.974 -11.156 480 1HE LYS 60 2HE LYS 60 0.551 13.835 -11.151 481 2HE LYS 60 1HE LYS 60 2.129 13.316 -11.747 482 1HZ LYS 60 1HZ LYS 60 -0.521 12.487 -12.810 483 2HZ LYS 60 2HZ LYS 60 0.971 11.866 -13.334 484 3HZ LYS 60 3HZ LYS 60 0.607 13.504 -13.570 485 H PHE 61 H PHE 61 -1.086 9.119 -6.484 486 HA PHE 61 HA PHE 61 -2.155 6.547 -6.357 487 1HB PHE 61 2HB PHE 61 -0.154 5.150 -6.667 488 2HB PHE 61 1HB PHE 61 -0.555 6.000 -8.155 489 HD1 PHE 61 HD1 PHE 61 1.851 5.675 -5.426 490 HD2 PHE 61 HD2 PHE 61 0.878 7.760 -9.005 491 HE1 PHE 61 HE1 PHE 61 4.147 6.553 -5.534 492 HE2 PHE 61 HE2 PHE 61 3.169 8.642 -9.120 493 HZ PHE 61 HZ PHE 61 4.807 8.042 -7.381 494 H ALA 62 H ALA 62 -1.080 5.265 -4.520 495 HA ALA 62 HA ALA 62 -0.034 7.175 -2.535 496 1HB ALA 62 1HB ALA 62 -1.392 4.527 -2.053 497 2HB ALA 62 2HB ALA 62 -2.163 6.107 -1.931 498 3HB ALA 62 3HB ALA 62 -0.865 5.672 -0.819 499 H PHE 63 H PHE 63 1.764 6.630 -1.298 500 HA PHE 63 HA PHE 63 3.269 4.267 -2.213 501 1HB PHE 63 2HB PHE 63 4.226 6.456 -3.007 502 2HB PHE 63 1HB PHE 63 4.466 6.901 -1.319 503 HD1 PHE 63 HD1 PHE 63 5.545 4.686 -4.032 504 HD2 PHE 63 HD2 PHE 63 6.241 5.935 -0.021 505 HE1 PHE 63 HE1 PHE 63 7.733 3.563 -4.066 506 HE2 PHE 63 HE2 PHE 63 8.430 4.812 -0.048 507 HZ PHE 63 HZ PHE 63 9.178 3.627 -2.073 508 H ALA 64 H ALA 64 3.717 2.860 -0.643 509 HA ALA 64 HA ALA 64 3.786 3.814 2.138 510 1HB ALA 64 1HB ALA 64 2.252 1.405 1.174 511 2HB ALA 64 2HB ALA 64 1.543 2.936 1.690 512 3HB ALA 64 3HB ALA 64 2.415 1.935 2.849 513 H SER 65 H SER 65 5.002 2.513 3.563 514 HA SER 65 HA SER 65 6.780 0.599 2.204 515 1HB SER 65 2HB SER 65 7.891 2.665 3.097 516 2HB SER 65 1HB SER 65 7.383 2.182 4.715 517 HG SER 65 HG SER 65 9.229 1.155 4.691 518 H VAL 66 H VAL 66 7.266 -1.351 3.303 519 HA VAL 66 HA VAL 66 5.040 -2.254 4.896 520 HB VAL 66 HB VAL 66 5.820 -3.696 3.111 521 1HG1 VAL 66 1HG1 VAL 66 8.165 -3.091 3.052 522 2HG1 VAL 66 2HG1 VAL 66 7.985 -4.838 3.216 523 3HG1 VAL 66 3HG1 VAL 66 8.426 -3.861 4.617 524 1HG2 VAL 66 1HG2 VAL 66 6.314 -4.836 5.855 525 2HG2 VAL 66 2HG2 VAL 66 6.100 -5.797 4.391 526 3HG2 VAL 66 3HG2 VAL 66 4.782 -4.785 4.981 527 H VAL 67 H VAL 67 4.986 -2.118 7.014 528 HA VAL 67 HA VAL 67 7.490 -1.951 8.513 529 HB VAL 67 HB VAL 67 5.650 -0.238 8.864 530 1HG1 VAL 67 1HG1 VAL 67 4.291 -2.522 10.284 531 2HG1 VAL 67 2HG1 VAL 67 3.740 -1.746 8.801 532 3HG1 VAL 67 3HG1 VAL 67 3.779 -0.835 10.309 533 1HG2 VAL 67 1HG2 VAL 67 7.443 -0.486 10.469 534 2HG2 VAL 67 2HG2 VAL 67 6.580 -1.801 11.268 535 3HG2 VAL 67 3HG2 VAL 67 5.924 -0.164 11.306 536 H GLU 68 H GLU 68 5.796 -4.204 7.310 537 HA GLU 68 HA GLU 68 5.673 -6.436 7.540 538 1HB GLU 68 2HB GLU 68 7.935 -6.134 8.634 539 2HB GLU 68 1HB GLU 68 7.099 -6.185 10.180 540 1HG GLU 68 2HG GLU 68 6.385 -8.418 9.817 541 2HG GLU 68 1HG GLU 68 6.914 -8.376 8.134 Start of MODEL 9 1 1H MET 1 1HT MET 1 -14.272 15.405 -0.223 2 2H MET 1 2HT MET 1 -13.001 15.036 -1.278 3 3H MET 1 3HT MET 1 -14.563 14.471 -1.615 4 HA MET 1 HA MET 1 -13.800 17.331 -1.489 5 1HB MET 1 2HB MET 1 -14.102 15.484 -3.864 6 2HB MET 1 1HB MET 1 -14.066 17.236 -3.995 7 1HG MET 1 2HG MET 1 -11.901 16.386 -4.520 8 2HG MET 1 1HG MET 1 -11.812 17.221 -2.972 9 1HE MET 1 1HE MET 1 -11.722 13.802 -4.849 10 2HE MET 1 2HE MET 1 -13.163 13.591 -3.852 11 3HE MET 1 3HE MET 1 -11.716 12.636 -3.526 12 H PHE 2 H PHE 2 -15.554 18.390 -0.869 13 HA PHE 2 HA PHE 2 -17.638 19.275 -0.873 14 1HB PHE 2 2HB PHE 2 -17.982 17.726 -3.450 15 2HB PHE 2 1HB PHE 2 -19.092 18.955 -2.853 16 HD1 PHE 2 HD1 PHE 2 -18.161 21.304 -2.495 17 HD2 PHE 2 HD2 PHE 2 -16.165 18.317 -4.773 18 HE1 PHE 2 HE1 PHE 2 -16.839 23.048 -3.618 19 HE2 PHE 2 HE2 PHE 2 -14.837 20.054 -5.899 20 HZ PHE 2 HZ PHE 2 -15.173 22.422 -5.322 21 H ARG 3 H ARG 3 -18.511 18.458 0.910 22 HA ARG 3 HA ARG 3 -19.738 17.191 2.321 23 1HB ARG 3 2HB ARG 3 -20.675 15.940 -0.252 24 2HB ARG 3 1HB ARG 3 -21.216 15.352 1.316 25 1HG ARG 3 2HG ARG 3 -22.142 17.531 1.844 26 2HG ARG 3 1HG ARG 3 -21.544 18.176 0.316 27 1HD ARG 3 2HD ARG 3 -23.042 16.839 -0.938 28 2HD ARG 3 1HD ARG 3 -23.461 15.865 0.471 29 HE ARG 3 HE ARG 3 -24.377 18.097 1.354 30 1HH1 ARG 3 1HH1 ARG 3 -24.434 17.108 -2.013 31 2HH1 ARG 3 2HH1 ARG 3 -25.861 18.025 -2.384 32 1HH2 ARG 3 1HH2 ARG 3 -26.233 19.324 0.848 33 2HH2 ARG 3 2HH2 ARG 3 -26.873 19.305 -0.768 34 H GLU 4 H GLU 4 -17.389 15.993 0.295 35 HA GLU 4 HA GLU 4 -15.609 14.711 0.680 36 1HB GLU 4 2HB GLU 4 -16.674 14.627 3.494 37 2HB GLU 4 1HB GLU 4 -15.100 14.007 3.004 38 1HG GLU 4 2HG GLU 4 -16.068 16.839 3.066 39 2HG GLU 4 1HG GLU 4 -14.627 16.136 3.803 40 H GLU 5 H GLU 5 -18.544 13.488 0.400 41 HA GLU 5 HA GLU 5 -19.244 11.453 -0.357 42 1HB GLU 5 2HB GLU 5 -16.275 10.914 -0.588 43 2HB GLU 5 1HB GLU 5 -17.559 10.079 -1.454 44 1HG GLU 5 2HG GLU 5 -17.852 11.757 -2.935 45 2HG GLU 5 1HG GLU 5 -17.463 13.010 -1.758 46 H SER 6 H SER 6 -17.917 8.893 -0.065 47 HA SER 6 HA SER 6 -18.466 8.399 2.742 48 1HB SER 6 2HB SER 6 -19.354 6.837 1.052 49 2HB SER 6 1HB SER 6 -17.712 6.474 0.521 50 HG SER 6 HG SER 6 -18.501 6.122 3.216 51 H ARG 7 H ARG 7 -15.773 8.205 0.461 52 HA ARG 7 HA ARG 7 -13.966 7.854 2.757 53 1HB ARG 7 2HB ARG 7 -13.786 6.822 -0.057 54 2HB ARG 7 1HB ARG 7 -12.358 6.956 0.962 55 1HG ARG 7 2HG ARG 7 -14.823 5.368 1.651 56 2HG ARG 7 1HG ARG 7 -13.336 4.700 0.971 57 1HD ARG 7 2HD ARG 7 -12.110 5.627 2.935 58 2HD ARG 7 1HD ARG 7 -13.666 6.086 3.627 59 HE ARG 7 HE ARG 7 -14.136 3.554 3.348 60 1HH1 ARG 7 1HH1 ARG 7 -11.080 5.003 4.215 61 2HH1 ARG 7 2HH1 ARG 7 -10.534 3.644 5.148 62 1HH2 ARG 7 1HH2 ARG 7 -13.436 1.743 4.559 63 2HH2 ARG 7 2HH2 ARG 7 -11.887 1.779 5.338 64 H SER 8 H SER 8 -13.813 9.038 -0.578 65 HA SER 8 HA SER 8 -12.762 10.704 -1.604 66 1HB SER 8 2HB SER 8 -12.515 12.883 -0.603 67 2HB SER 8 1HB SER 8 -14.048 12.188 -0.083 68 HG SER 8 HG SER 8 -12.661 11.445 1.808 69 H VAL 9 H VAL 9 -11.350 9.307 1.025 70 HA VAL 9 HA VAL 9 -8.768 9.205 -0.205 71 HB VAL 9 HB VAL 9 -7.673 9.865 2.089 72 1HG1 VAL 9 1HG1 VAL 9 -8.668 11.918 0.119 73 2HG1 VAL 9 2HG1 VAL 9 -7.169 10.996 0.016 74 3HG1 VAL 9 3HG1 VAL 9 -7.385 12.186 1.299 75 1HG2 VAL 9 1HG2 VAL 9 -8.803 11.717 3.221 76 2HG2 VAL 9 2HG2 VAL 9 -9.758 10.236 3.302 77 3HG2 VAL 9 3HG2 VAL 9 -10.201 11.510 2.166 78 HA PRO 10 HA PRO 10 -9.811 5.253 1.729 79 1HB PRO 10 2HB PRO 10 -7.380 4.422 0.269 80 2HB PRO 10 1HB PRO 10 -9.014 3.755 0.202 81 1HG PRO 10 2HG PRO 10 -8.016 5.197 -1.820 82 2HG PRO 10 1HG PRO 10 -9.726 5.305 -1.363 83 1HD PRO 10 2HD PRO 10 -7.480 7.189 -0.770 84 2HD PRO 10 1HD PRO 10 -9.162 7.544 -1.216 85 H VAL 11 H VAL 11 -6.531 6.566 1.450 86 HA VAL 11 HA VAL 11 -5.970 5.601 4.168 87 HB VAL 11 HB VAL 11 -3.623 5.187 3.508 88 1HG1 VAL 11 1HG1 VAL 11 -5.656 3.623 1.926 89 2HG1 VAL 11 2HG1 VAL 11 -5.172 3.321 3.595 90 3HG1 VAL 11 3HG1 VAL 11 -4.012 3.096 2.284 91 1HG2 VAL 11 1HG2 VAL 11 -3.497 6.670 1.571 92 2HG2 VAL 11 2HG2 VAL 11 -4.619 5.630 0.692 93 3HG2 VAL 11 3HG2 VAL 11 -3.023 5.029 1.138 94 H GLU 12 H GLU 12 -4.209 6.815 5.234 95 HA GLU 12 HA GLU 12 -3.860 9.511 4.131 96 1HB GLU 12 2HB GLU 12 -4.066 10.409 6.460 97 2HB GLU 12 1HB GLU 12 -5.560 9.781 5.781 98 1HG GLU 12 2HG GLU 12 -5.271 7.716 7.052 99 2HG GLU 12 1HG GLU 12 -3.771 8.349 7.733 100 H GLU 13 H GLU 13 -2.007 10.658 5.009 101 HA GLU 13 HA GLU 13 0.278 9.008 4.834 102 1HB GLU 13 2HB GLU 13 0.130 11.907 5.658 103 2HB GLU 13 1HB GLU 13 1.564 11.052 5.104 104 1HG GLU 13 2HG GLU 13 0.404 10.648 2.945 105 2HG GLU 13 1HG GLU 13 -0.902 11.686 3.511 106 H GLY 14 H GLY 14 1.542 8.126 6.287 107 1HA GLY 14 2HA GLY 14 2.702 7.853 8.263 108 2HA GLY 14 1HA GLY 14 1.808 9.186 8.963 109 H GLU 15 H GLU 15 0.286 6.429 7.422 110 HA GLU 15 HA GLU 15 -0.490 5.486 10.113 111 1HB GLU 15 2HB GLU 15 -2.289 5.790 7.726 112 2HB GLU 15 1HB GLU 15 -2.713 4.843 9.133 113 1HG GLU 15 2HG GLU 15 -2.041 7.770 9.237 114 2HG GLU 15 1HG GLU 15 -3.680 7.134 9.095 115 H VAL 16 H VAL 16 -1.171 3.266 10.204 116 HA VAL 16 HA VAL 16 0.279 1.668 8.197 117 HB VAL 16 HB VAL 16 1.588 1.712 10.222 118 1HG1 VAL 16 1HG1 VAL 16 0.750 0.844 12.352 119 2HG1 VAL 16 2HG1 VAL 16 -0.859 0.680 11.647 120 3HG1 VAL 16 3HG1 VAL 16 -0.137 2.278 11.833 121 1HG2 VAL 16 1HG2 VAL 16 1.693 -0.698 10.731 122 2HG2 VAL 16 2HG2 VAL 16 1.603 -0.368 9.002 123 3HG2 VAL 16 3HG2 VAL 16 0.172 -0.924 9.870 124 H TYR 17 H TYR 17 -0.787 0.085 7.260 125 HA TYR 17 HA TYR 17 -3.318 -0.825 8.464 126 1HB TYR 17 2HB TYR 17 -2.823 -0.482 5.498 127 2HB TYR 17 1HB TYR 17 -4.348 -0.872 6.283 128 HD1 TYR 17 HD1 TYR 17 -2.014 1.775 5.390 129 HD2 TYR 17 HD2 TYR 17 -5.619 0.875 7.469 130 HE1 TYR 17 HE1 TYR 17 -2.576 4.170 5.436 131 HE2 TYR 17 HE2 TYR 17 -6.192 3.266 7.518 132 HH TYR 17 HH TYR 17 -5.020 5.445 7.394 133 H ASP 18 H ASP 18 -3.514 -2.990 8.624 134 HA ASP 18 HA ASP 18 -1.404 -4.684 7.594 135 1HB ASP 18 2HB ASP 18 -2.390 -5.104 9.823 136 2HB ASP 18 1HB ASP 18 -3.950 -5.416 9.068 137 H VAL 19 H VAL 19 -1.491 -4.897 5.433 138 HA VAL 19 HA VAL 19 -4.132 -5.309 4.182 139 HB VAL 19 HB VAL 19 -3.194 -4.355 2.129 140 1HG1 VAL 19 1HG1 VAL 19 -2.959 -2.026 2.892 141 2HG1 VAL 19 2HG1 VAL 19 -2.818 -2.602 4.554 142 3HG1 VAL 19 3HG1 VAL 19 -4.317 -2.850 3.658 143 1HG2 VAL 19 1HG2 VAL 19 -0.872 -5.027 2.449 144 2HG2 VAL 19 2HG2 VAL 19 -0.714 -3.884 3.784 145 3HG2 VAL 19 3HG2 VAL 19 -0.988 -3.292 2.143 146 H THR 20 H THR 20 -4.037 -6.471 2.086 147 HA THR 20 HA THR 20 -1.892 -8.490 2.002 148 HB THR 20 HB THR 20 -4.721 -8.844 0.979 149 HG1 THR 20 HG1 THR 20 -3.914 -8.858 3.479 150 1HG2 THR 20 1HG2 THR 20 -2.460 -10.811 1.376 151 2HG2 THR 20 2HG2 THR 20 -3.056 -10.216 -0.172 152 3HG2 THR 20 3HG2 THR 20 -4.092 -11.217 0.844 153 H ILE 21 H ILE 21 -0.707 -8.518 0.170 154 HA ILE 21 HA ILE 21 -1.020 -6.394 -1.686 155 HB ILE 21 HB ILE 21 0.768 -8.823 -1.844 156 1HG1 ILE 21 2HG1 ILE 21 1.185 -7.483 0.151 157 2HG1 ILE 21 1HG1 ILE 21 2.504 -7.291 -0.994 158 1HG2 ILE 21 1HG2 ILE 21 0.478 -7.805 -4.029 159 2HG2 ILE 21 2HG2 ILE 21 2.102 -7.497 -3.414 160 3HG2 ILE 21 3HG2 ILE 21 0.883 -6.223 -3.363 161 1HD1 ILE 21 1HD1 ILE 21 0.260 -5.338 -0.548 162 2HD1 ILE 21 2HD1 ILE 21 1.587 -5.142 -1.692 163 3HD1 ILE 21 3HD1 ILE 21 1.915 -5.178 0.040 164 H GLN 22 H GLN 22 -2.328 -6.287 -3.325 165 HA GLN 22 HA GLN 22 -3.841 -8.606 -4.150 166 1HB GLN 22 2HB GLN 22 -4.026 -5.681 -4.878 167 2HB GLN 22 1HB GLN 22 -5.119 -6.912 -5.489 168 1HG GLN 22 2HG GLN 22 -4.781 -6.679 -2.550 169 2HG GLN 22 1HG GLN 22 -5.718 -5.441 -3.388 170 1HE2 GLN 22 1HE2 GLN 22 -5.526 -8.833 -2.564 171 2HE2 GLN 22 2HE2 GLN 22 -7.175 -9.207 -2.935 172 H ASP 23 H ASP 23 -1.518 -6.351 -5.591 173 HA ASP 23 HA ASP 23 -1.163 -8.226 -7.803 174 1HB ASP 23 2HB ASP 23 -2.858 -6.278 -8.318 175 2HB ASP 23 1HB ASP 23 -1.397 -5.310 -8.477 176 H ILE 24 H ILE 24 0.665 -7.073 -9.307 177 HA ILE 24 HA ILE 24 2.755 -6.025 -7.542 178 HB ILE 24 HB ILE 24 3.053 -8.486 -9.278 179 1HG1 ILE 24 2HG1 ILE 24 2.175 -8.869 -6.999 180 2HG1 ILE 24 1HG1 ILE 24 3.768 -9.582 -7.225 181 1HG2 ILE 24 1HG2 ILE 24 4.972 -7.056 -9.645 182 2HG2 ILE 24 2HG2 ILE 24 5.440 -8.448 -8.669 183 3HG2 ILE 24 3HG2 ILE 24 5.203 -6.875 -7.905 184 1HD1 ILE 24 1HD1 ILE 24 4.780 -7.724 -6.032 185 2HD1 ILE 24 2HD1 ILE 24 3.550 -8.519 -5.049 186 3HD1 ILE 24 3HD1 ILE 24 3.195 -6.981 -5.833 187 H ALA 25 H ALA 25 3.512 -4.261 -8.463 188 HA ALA 25 HA ALA 25 3.020 -3.643 -11.205 189 1HB ALA 25 1HB ALA 25 4.848 -2.271 -9.243 190 2HB ALA 25 2HB ALA 25 3.127 -1.939 -9.438 191 3HB ALA 25 3HB ALA 25 4.244 -1.604 -10.762 192 H ARG 26 H ARG 26 4.553 -3.382 -12.859 193 HA ARG 26 HA ARG 26 6.246 -5.462 -13.345 194 1HB ARG 26 2HB ARG 26 5.445 -3.766 -14.993 195 2HB ARG 26 1HB ARG 26 6.667 -2.659 -14.385 196 1HG ARG 26 2HG ARG 26 8.376 -4.425 -14.999 197 2HG ARG 26 1HG ARG 26 7.072 -5.237 -15.870 198 1HD ARG 26 2HD ARG 26 8.284 -3.866 -17.420 199 2HD ARG 26 1HD ARG 26 6.702 -3.137 -17.147 200 HE ARG 26 HE ARG 26 8.748 -2.107 -15.412 201 1HH1 ARG 26 1HH1 ARG 26 7.346 -1.822 -18.610 202 2HH1 ARG 26 2HH1 ARG 26 7.817 -0.157 -18.800 203 1HH2 ARG 26 1HH2 ARG 26 9.394 0.049 -15.665 204 2HH2 ARG 26 2HH2 ARG 26 9.001 0.908 -17.124 205 H GLN 27 H GLN 27 7.034 -2.497 -11.642 206 HA GLN 27 HA GLN 27 9.867 -2.815 -11.769 207 1HB GLN 27 2HB GLN 27 8.273 -1.163 -9.813 208 2HB GLN 27 1HB GLN 27 9.962 -0.945 -10.246 209 1HG GLN 27 2HG GLN 27 9.309 -0.327 -12.508 210 2HG GLN 27 1HG GLN 27 7.616 -0.576 -12.092 211 1HE2 GLN 27 1HE2 GLN 27 7.993 0.563 -9.390 212 2HE2 GLN 27 2HE2 GLN 27 8.095 2.275 -9.634 213 H GLY 28 H GLY 28 7.481 -4.337 -9.892 214 1HA GLY 28 2HA GLY 28 8.045 -6.101 -8.367 215 2HA GLY 28 1HA GLY 28 9.523 -5.236 -7.965 216 H ASP 29 H ASP 29 7.015 -3.086 -8.207 217 HA ASP 29 HA ASP 29 6.839 -2.718 -5.356 218 1HB ASP 29 2HB ASP 29 5.429 -1.308 -7.639 219 2HB ASP 29 1HB ASP 29 5.340 -0.821 -5.950 220 H GLY 30 H GLY 30 5.394 -3.673 -4.084 221 1HA GLY 30 2HA GLY 30 3.326 -5.330 -5.149 222 2HA GLY 30 1HA GLY 30 3.600 -4.971 -3.449 223 H ILE 31 H ILE 31 1.282 -4.849 -5.597 224 HA ILE 31 HA ILE 31 0.440 -2.090 -5.147 225 HB ILE 31 HB ILE 31 -0.703 -4.225 -6.951 226 1HG1 ILE 31 2HG1 ILE 31 0.826 -1.685 -7.566 227 2HG1 ILE 31 1HG1 ILE 31 1.471 -3.319 -7.670 228 1HG2 ILE 31 1HG2 ILE 31 -2.103 -2.402 -7.878 229 2HG2 ILE 31 2HG2 ILE 31 -1.544 -1.356 -6.572 230 3HG2 ILE 31 3HG2 ILE 31 -2.492 -2.795 -6.203 231 1HD1 ILE 31 1HD1 ILE 31 -0.137 -3.829 -9.439 232 2HD1 ILE 31 2HD1 ILE 31 0.903 -2.470 -9.862 233 3HD1 ILE 31 3HD1 ILE 31 -0.757 -2.180 -9.340 234 H ALA 32 H ALA 32 -0.457 -1.875 -3.206 235 HA ALA 32 HA ALA 32 -2.620 -3.692 -2.437 236 1HB ALA 32 1HB ALA 32 -2.645 -2.494 -0.314 237 2HB ALA 32 2HB ALA 32 -1.452 -1.347 -0.927 238 3HB ALA 32 3HB ALA 32 -1.010 -3.038 -0.688 239 H ARG 33 H ARG 33 -4.281 -3.206 -3.793 240 HA ARG 33 HA ARG 33 -4.880 -0.404 -4.316 241 1HB ARG 33 2HB ARG 33 -6.400 -1.296 -6.068 242 2HB ARG 33 1HB ARG 33 -4.723 -1.764 -6.278 243 1HG ARG 33 2HG ARG 33 -5.405 -3.934 -5.065 244 2HG ARG 33 1HG ARG 33 -7.055 -3.444 -5.447 245 1HD ARG 33 2HD ARG 33 -4.803 -3.944 -7.386 246 2HD ARG 33 1HD ARG 33 -6.256 -4.916 -7.170 247 HE ARG 33 HE ARG 33 -7.484 -2.842 -7.947 248 1HH1 ARG 33 1HH1 ARG 33 -4.199 -3.575 -8.922 249 2HH1 ARG 33 2HH1 ARG 33 -4.315 -2.747 -10.439 250 1HH2 ARG 33 1HH2 ARG 33 -7.666 -1.780 -9.964 251 2HH2 ARG 33 2HH2 ARG 33 -6.293 -1.718 -11.036 252 H ILE 34 H ILE 34 -5.946 0.407 -2.641 253 HA ILE 34 HA ILE 34 -8.164 -1.093 -1.484 254 HB ILE 34 HB ILE 34 -6.838 1.480 -0.623 255 1HG1 ILE 34 2HG1 ILE 34 -6.893 -1.317 0.526 256 2HG1 ILE 34 1HG1 ILE 34 -5.510 -0.507 -0.200 257 1HG2 ILE 34 1HG2 ILE 34 -8.257 1.375 1.374 258 2HG2 ILE 34 2HG2 ILE 34 -9.125 0.004 0.680 259 3HG2 ILE 34 3HG2 ILE 34 -9.214 1.587 -0.094 260 1HD1 ILE 34 1HD1 ILE 34 -5.503 1.113 1.610 261 2HD1 ILE 34 2HD1 ILE 34 -5.362 -0.535 2.222 262 3HD1 ILE 34 3HD1 ILE 34 -6.903 0.318 2.328 263 H GLU 35 H GLU 35 -10.014 -0.920 -2.393 264 HA GLU 35 HA GLU 35 -11.841 -0.173 -3.517 265 1HB GLU 35 2HB GLU 35 -11.012 2.376 -2.134 266 2HB GLU 35 1HB GLU 35 -12.525 2.199 -3.014 267 1HG GLU 35 2HG GLU 35 -13.179 0.379 -1.514 268 2HG GLU 35 1HG GLU 35 -11.669 0.580 -0.626 269 H GLY 36 H GLY 36 -9.205 -0.031 -4.859 270 1HA GLY 36 2HA GLY 36 -9.032 0.342 -7.224 271 2HA GLY 36 1HA GLY 36 -10.036 1.772 -7.028 272 H PHE 37 H PHE 37 -8.353 2.371 -4.542 273 HA PHE 37 HA PHE 37 -6.529 4.126 -5.896 274 1HB PHE 37 2HB PHE 37 -7.790 4.683 -3.788 275 2HB PHE 37 1HB PHE 37 -6.734 3.569 -2.930 276 HD1 PHE 37 HD1 PHE 37 -6.615 6.581 -5.109 277 HD2 PHE 37 HD2 PHE 37 -4.794 4.359 -1.975 278 HE1 PHE 37 HE1 PHE 37 -5.015 8.416 -4.743 279 HE2 PHE 37 HE2 PHE 37 -3.190 6.184 -1.607 280 HZ PHE 37 HZ PHE 37 -3.297 8.216 -2.988 281 H VAL 38 H VAL 38 -4.470 3.731 -6.397 282 HA VAL 38 HA VAL 38 -3.404 1.115 -5.718 283 HB VAL 38 HB VAL 38 -2.377 3.184 -7.669 284 1HG1 VAL 38 1HG1 VAL 38 -0.590 1.713 -6.868 285 2HG1 VAL 38 2HG1 VAL 38 -0.976 1.387 -8.558 286 3HG1 VAL 38 3HG1 VAL 38 -1.559 0.303 -7.297 287 1HG2 VAL 38 1HG2 VAL 38 -4.560 2.273 -8.297 288 2HG2 VAL 38 2HG2 VAL 38 -3.916 0.635 -8.153 289 3HG2 VAL 38 3HG2 VAL 38 -3.289 1.723 -9.391 290 H ILE 39 H ILE 39 -2.177 0.897 -3.998 291 HA ILE 39 HA ILE 39 -0.292 3.041 -3.284 292 HB ILE 39 HB ILE 39 -1.196 0.703 -1.590 293 1HG1 ILE 39 2HG1 ILE 39 -2.040 3.597 -1.363 294 2HG1 ILE 39 1HG1 ILE 39 -3.012 2.355 -2.142 295 1HG2 ILE 39 1HG2 ILE 39 -0.194 1.986 0.262 296 2HG2 ILE 39 2HG2 ILE 39 0.378 3.180 -0.903 297 3HG2 ILE 39 3HG2 ILE 39 0.991 1.528 -0.961 298 1HD1 ILE 39 1HD1 ILE 39 -2.160 2.376 0.741 299 2HD1 ILE 39 2HD1 ILE 39 -3.137 1.131 -0.038 300 3HD1 ILE 39 3HD1 ILE 39 -3.762 2.772 0.124 301 H PHE 40 H PHE 40 1.811 2.693 -3.654 302 HA PHE 40 HA PHE 40 2.631 0.054 -4.601 303 1HB PHE 40 2HB PHE 40 3.999 2.746 -4.717 304 2HB PHE 40 1HB PHE 40 4.720 1.253 -5.304 305 HD1 PHE 40 HD1 PHE 40 3.631 0.042 -7.199 306 HD2 PHE 40 HD2 PHE 40 2.471 3.962 -6.023 307 HE1 PHE 40 HE1 PHE 40 2.561 0.379 -9.390 308 HE2 PHE 40 HE2 PHE 40 1.396 4.306 -8.206 309 HZ PHE 40 HZ PHE 40 1.440 2.514 -9.894 310 H VAL 41 H VAL 41 3.577 -1.318 -3.290 311 HA VAL 41 HA VAL 41 5.415 -0.294 -1.222 312 HB VAL 41 HB VAL 41 3.757 -2.789 -0.867 313 1HG1 VAL 41 1HG1 VAL 41 4.394 -2.531 1.478 314 2HG1 VAL 41 2HG1 VAL 41 5.315 -1.084 1.067 315 3HG1 VAL 41 3HG1 VAL 41 5.808 -2.653 0.433 316 1HG2 VAL 41 1HG2 VAL 41 3.163 -0.027 0.185 317 2HG2 VAL 41 2HG2 VAL 41 2.321 -1.505 0.648 318 3HG2 VAL 41 3HG2 VAL 41 2.217 -0.913 -1.010 319 HA PRO 42 HA PRO 42 7.713 -2.950 -4.177 320 1HB PRO 42 2HB PRO 42 10.160 -1.902 -3.531 321 2HB PRO 42 1HB PRO 42 9.064 -1.192 -4.722 322 1HG PRO 42 2HG PRO 42 9.496 -0.437 -1.857 323 2HG PRO 42 1HG PRO 42 9.302 0.611 -3.275 324 1HD PRO 42 2HD PRO 42 7.281 0.164 -1.559 325 2HD PRO 42 1HD PRO 42 7.002 0.361 -3.302 326 H GLY 43 H GLY 43 8.565 -4.916 -3.817 327 1HA GLY 43 2HA GLY 43 10.300 -6.228 -2.727 328 2HA GLY 43 1HA GLY 43 9.924 -5.381 -1.236 329 H THR 44 H THR 44 6.981 -5.839 -2.366 330 HA THR 44 HA THR 44 6.655 -8.299 -0.826 331 HB THR 44 HB THR 44 4.215 -7.702 -0.915 332 HG1 THR 44 HG1 THR 44 4.773 -5.080 -1.586 333 1HG2 THR 44 1HG2 THR 44 4.396 -5.864 0.700 334 2HG2 THR 44 2HG2 THR 44 6.074 -5.609 0.219 335 3HG2 THR 44 3HG2 THR 44 5.603 -7.112 1.011 336 H LYS 45 H LYS 45 4.516 -9.539 -1.726 337 HA LYS 45 HA LYS 45 4.719 -9.854 -4.620 338 1HB LYS 45 2HB LYS 45 6.362 -11.412 -3.509 339 2HB LYS 45 1HB LYS 45 4.996 -12.215 -2.755 340 1HG LYS 45 2HG LYS 45 4.179 -12.997 -4.826 341 2HG LYS 45 1HG LYS 45 5.259 -11.933 -5.732 342 1HD LYS 45 2HD LYS 45 6.166 -14.190 -3.947 343 2HD LYS 45 1HD LYS 45 6.013 -14.291 -5.703 344 1HE LYS 45 2HE LYS 45 7.679 -12.566 -5.991 345 2HE LYS 45 1HE LYS 45 7.766 -12.314 -4.249 346 1HZ LYS 45 1HZ LYS 45 8.496 -14.847 -5.626 347 2HZ LYS 45 2HZ LYS 45 8.683 -14.501 -3.974 348 3HZ LYS 45 3HZ LYS 45 9.603 -13.661 -5.127 349 H VAL 46 H VAL 46 2.969 -11.391 -5.425 350 HA VAL 46 HA VAL 46 0.464 -10.493 -4.564 351 HB VAL 46 HB VAL 46 1.013 -13.038 -6.108 352 1HG1 VAL 46 1HG1 VAL 46 -1.440 -11.292 -5.934 353 2HG1 VAL 46 2HG1 VAL 46 -1.266 -12.930 -5.304 354 3HG1 VAL 46 3HG1 VAL 46 -1.236 -12.647 -7.046 355 1HG2 VAL 46 1HG2 VAL 46 0.721 -11.684 -8.124 356 2HG2 VAL 46 2HG2 VAL 46 2.103 -11.141 -7.175 357 3HG2 VAL 46 3HG2 VAL 46 0.591 -10.235 -7.129 358 H GLY 47 H GLY 47 -0.626 -10.962 -2.778 359 1HA GLY 47 2HA GLY 47 -1.837 -12.517 -1.448 360 2HA GLY 47 1HA GLY 47 -0.648 -13.744 -1.850 361 H ASP 48 H ASP 48 1.208 -11.180 -1.194 362 HA ASP 48 HA ASP 48 1.910 -12.175 1.406 363 1HB ASP 48 2HB ASP 48 3.590 -11.311 -0.214 364 2HB ASP 48 1HB ASP 48 2.910 -9.699 -0.025 365 H GLU 49 H GLU 49 0.781 -11.710 3.143 366 HA GLU 49 HA GLU 49 -0.663 -9.167 3.275 367 1HB GLU 49 2HB GLU 49 -1.862 -10.279 5.198 368 2HB GLU 49 1HB GLU 49 -2.118 -11.003 3.618 369 1HG GLU 49 2HG GLU 49 -0.336 -12.673 4.216 370 2HG GLU 49 1HG GLU 49 -0.389 -12.021 5.852 371 H VAL 50 H VAL 50 0.427 -7.595 4.194 372 HA VAL 50 HA VAL 50 1.800 -8.066 6.729 373 HB VAL 50 HB VAL 50 3.736 -6.665 5.961 374 1HG1 VAL 50 1HG1 VAL 50 3.352 -9.275 4.504 375 2HG1 VAL 50 2HG1 VAL 50 3.950 -9.082 6.152 376 3HG1 VAL 50 3HG1 VAL 50 4.894 -8.471 4.793 377 1HG2 VAL 50 1HG2 VAL 50 2.718 -5.613 4.029 378 2HG2 VAL 50 2HG2 VAL 50 2.557 -7.178 3.232 379 3HG2 VAL 50 3HG2 VAL 50 4.158 -6.508 3.541 380 H ARG 51 H ARG 51 2.304 -6.067 7.870 381 HA ARG 51 HA ARG 51 0.300 -4.027 7.433 382 1HB ARG 51 2HB ARG 51 2.471 -4.352 9.510 383 2HB ARG 51 1HB ARG 51 1.377 -2.977 9.463 384 1HG ARG 51 2HG ARG 51 -0.521 -4.421 9.822 385 2HG ARG 51 1HG ARG 51 0.516 -5.846 9.749 386 1HD ARG 51 2HD ARG 51 0.810 -3.641 11.783 387 2HD ARG 51 1HD ARG 51 -0.106 -5.122 12.060 388 HE ARG 51 HE ARG 51 2.622 -5.565 11.219 389 1HH1 ARG 51 1HH1 ARG 51 0.526 -4.993 13.971 390 2HH1 ARG 51 2HH1 ARG 51 1.566 -5.814 15.093 391 1HH2 ARG 51 1HH2 ARG 51 3.999 -6.596 12.669 392 2HH2 ARG 51 2HH2 ARG 51 3.563 -6.725 14.356 393 H ILE 52 H ILE 52 0.594 -2.282 6.242 394 HA ILE 52 HA ILE 52 3.362 -1.396 5.745 395 HB ILE 52 HB ILE 52 2.612 -0.453 3.608 396 1HG1 ILE 52 2HG1 ILE 52 -0.019 -1.857 4.137 397 2HG1 ILE 52 1HG1 ILE 52 0.222 -0.122 4.293 398 1HG2 ILE 52 1HG2 ILE 52 1.944 -3.378 3.909 399 2HG2 ILE 52 2HG2 ILE 52 3.550 -2.698 3.646 400 3HG2 ILE 52 3HG2 ILE 52 2.317 -2.556 2.393 401 1HD1 ILE 52 1HD1 ILE 52 0.759 0.016 1.915 402 2HD1 ILE 52 2HD1 ILE 52 -0.840 -0.677 2.188 403 3HD1 ILE 52 3HD1 ILE 52 0.512 -1.725 1.764 404 H LYS 53 H LYS 53 3.855 0.687 6.188 405 HA LYS 53 HA LYS 53 1.658 2.379 7.138 406 1HB LYS 53 2HB LYS 53 3.498 2.174 8.723 407 2HB LYS 53 1HB LYS 53 4.649 2.690 7.496 408 1HG LYS 53 2HG LYS 53 3.738 4.892 7.451 409 2HG LYS 53 1HG LYS 53 2.373 4.409 8.456 410 1HD LYS 53 2HD LYS 53 3.825 4.066 10.345 411 2HD LYS 53 1HD LYS 53 5.251 4.373 9.354 412 1HE LYS 53 2HE LYS 53 3.063 6.393 9.783 413 2HE LYS 53 1HE LYS 53 4.489 6.283 10.812 414 1HZ LYS 53 1HZ LYS 53 5.856 7.022 9.158 415 2HZ LYS 53 2HZ LYS 53 4.457 7.893 8.783 416 3HZ LYS 53 3HZ LYS 53 4.851 6.497 7.900 417 H VAL 54 H VAL 54 0.811 3.657 5.698 418 HA VAL 54 HA VAL 54 2.093 4.378 3.257 419 HB VAL 54 HB VAL 54 -0.363 5.580 4.564 420 1HG1 VAL 54 1HG1 VAL 54 0.650 5.813 1.730 421 2HG1 VAL 54 2HG1 VAL 54 0.611 7.105 2.930 422 3HG1 VAL 54 3HG1 VAL 54 -0.897 6.424 2.317 423 1HG2 VAL 54 1HG2 VAL 54 -1.604 4.182 2.954 424 2HG2 VAL 54 2HG2 VAL 54 -0.668 3.221 4.098 425 3HG2 VAL 54 3HG2 VAL 54 -0.081 3.450 2.450 426 H GLU 55 H GLU 55 3.527 5.903 2.952 427 HA GLU 55 HA GLU 55 4.212 7.664 5.177 428 1HB GLU 55 2HB GLU 55 5.691 7.057 2.607 429 2HB GLU 55 1HB GLU 55 6.316 8.009 3.943 430 1HG GLU 55 2HG GLU 55 5.529 5.118 4.158 431 2HG GLU 55 1HG GLU 55 7.169 5.681 3.838 432 H ARG 56 H ARG 56 3.424 7.788 1.734 433 HA ARG 56 HA ARG 56 2.923 10.670 1.946 434 1HB ARG 56 2HB ARG 56 5.277 10.286 1.167 435 2HB ARG 56 1HB ARG 56 4.633 9.415 -0.214 436 1HG ARG 56 2HG ARG 56 4.899 11.424 -1.196 437 2HG ARG 56 1HG ARG 56 3.299 11.710 -0.507 438 1HD ARG 56 2HD ARG 56 5.884 12.416 0.864 439 2HD ARG 56 1HD ARG 56 4.959 13.544 -0.124 440 HE ARG 56 HE ARG 56 3.101 12.852 1.627 441 1HH1 ARG 56 1HH1 ARG 56 6.504 13.445 2.228 442 2HH1 ARG 56 2HH1 ARG 56 6.236 14.179 3.782 443 1HH2 ARG 56 1HH2 ARG 56 2.737 13.807 3.658 444 2HH2 ARG 56 2HH2 ARG 56 4.085 14.386 4.597 445 H VAL 57 H VAL 57 1.197 11.327 0.721 446 HA VAL 57 HA VAL 57 0.125 9.343 -1.177 447 HB VAL 57 HB VAL 57 -2.104 10.302 -0.845 448 1HG1 VAL 57 1HG1 VAL 57 -1.421 8.389 0.505 449 2HG1 VAL 57 2HG1 VAL 57 -2.523 9.435 1.399 450 3HG1 VAL 57 3HG1 VAL 57 -0.794 9.476 1.743 451 1HG2 VAL 57 1HG2 VAL 57 -1.481 12.576 -0.242 452 2HG2 VAL 57 2HG2 VAL 57 -0.800 12.002 1.279 453 3HG2 VAL 57 3HG2 VAL 57 -2.535 11.877 0.986 454 H LEU 58 H LEU 58 -0.267 9.923 -3.219 455 HA LEU 58 HA LEU 58 0.090 12.753 -3.949 456 1HB LEU 58 2HB LEU 58 0.968 10.310 -5.505 457 2HB LEU 58 1HB LEU 58 1.017 11.950 -6.117 458 HG LEU 58 HG LEU 58 2.563 12.401 -4.064 459 1HD1 LEU 58 1HD1 LEU 58 2.203 10.243 -2.975 460 2HD1 LEU 58 2HD1 LEU 58 3.899 10.493 -3.387 461 3HD1 LEU 58 3HD1 LEU 58 2.902 9.424 -4.373 462 1HD2 LEU 58 1HD2 LEU 58 4.514 11.765 -5.399 463 2HD2 LEU 58 2HD2 LEU 58 3.275 12.557 -6.370 464 3HD2 LEU 58 3HD2 LEU 58 3.472 10.807 -6.452 465 HA PRO 59 HA PRO 59 -3.874 12.697 -5.808 466 1HB PRO 59 2HB PRO 59 -2.693 13.758 -8.314 467 2HB PRO 59 1HB PRO 59 -3.968 14.433 -7.295 468 1HG PRO 59 2HG PRO 59 -1.521 15.488 -7.301 469 2HG PRO 59 1HG PRO 59 -2.462 15.367 -5.801 470 1HD PRO 59 2HD PRO 59 -0.188 13.677 -6.760 471 2HD PRO 59 1HD PRO 59 -0.558 14.247 -5.117 472 H LYS 60 H LYS 60 -1.295 11.028 -7.382 473 HA LYS 60 HA LYS 60 -3.209 9.698 -9.176 474 1HB LYS 60 2HB LYS 60 -1.306 10.908 -10.236 475 2HB LYS 60 1HB LYS 60 -0.202 9.807 -9.428 476 1HG LYS 60 2HG LYS 60 -1.138 7.933 -10.649 477 2HG LYS 60 1HG LYS 60 -2.313 9.001 -11.418 478 1HD LYS 60 2HD LYS 60 0.687 9.189 -11.706 479 2HD LYS 60 1HD LYS 60 -0.418 8.507 -12.899 480 1HE LYS 60 2HE LYS 60 -0.424 11.363 -11.917 481 2HE LYS 60 1HE LYS 60 0.233 10.809 -13.458 482 1HZ LYS 60 1HZ LYS 60 -1.992 10.075 -14.094 483 2HZ LYS 60 2HZ LYS 60 -1.974 11.728 -13.735 484 3HZ LYS 60 3HZ LYS 60 -2.616 10.633 -12.615 485 H PHE 61 H PHE 61 -1.132 9.190 -6.470 486 HA PHE 61 HA PHE 61 -1.876 6.494 -6.123 487 1HB PHE 61 2HB PHE 61 0.264 5.367 -6.560 488 2HB PHE 61 1HB PHE 61 -0.394 6.077 -8.030 489 HD1 PHE 61 HD1 PHE 61 2.284 6.249 -5.539 490 HD2 PHE 61 HD2 PHE 61 0.702 7.941 -9.112 491 HE1 PHE 61 HE1 PHE 61 4.414 7.418 -5.926 492 HE2 PHE 61 HE2 PHE 61 2.829 9.115 -9.501 493 HZ PHE 61 HZ PHE 61 4.689 8.852 -7.907 494 H ALA 62 H ALA 62 -0.425 5.405 -4.403 495 HA ALA 62 HA ALA 62 0.730 7.461 -2.634 496 1HB ALA 62 1HB ALA 62 -0.197 6.299 -0.698 497 2HB ALA 62 2HB ALA 62 -0.987 5.138 -1.765 498 3HB ALA 62 3HB ALA 62 -1.474 6.833 -1.790 499 H PHE 63 H PHE 63 2.313 6.667 -1.115 500 HA PHE 63 HA PHE 63 3.598 4.153 -1.965 501 1HB PHE 63 2HB PHE 63 4.825 6.180 -2.767 502 2HB PHE 63 1HB PHE 63 5.008 6.688 -1.092 503 HD1 PHE 63 HD1 PHE 63 6.669 5.732 0.312 504 HD2 PHE 63 HD2 PHE 63 5.978 4.168 -3.581 505 HE1 PHE 63 HE1 PHE 63 8.749 4.430 0.474 506 HE2 PHE 63 HE2 PHE 63 8.058 2.863 -3.431 507 HZ PHE 63 HZ PHE 63 9.446 2.992 -1.400 508 H ALA 64 H ALA 64 4.269 2.809 -0.340 509 HA ALA 64 HA ALA 64 4.029 3.780 2.420 510 1HB ALA 64 1HB ALA 64 1.879 2.757 1.811 511 2HB ALA 64 2HB ALA 64 2.711 1.842 3.069 512 3HB ALA 64 3HB ALA 64 2.716 1.258 1.404 513 H SER 65 H SER 65 4.937 2.247 4.004 514 HA SER 65 HA SER 65 7.191 0.746 2.840 515 1HB SER 65 2HB SER 65 8.368 1.274 5.020 516 2HB SER 65 1HB SER 65 8.080 2.659 3.967 517 HG SER 65 HG SER 65 6.272 3.184 5.265 518 H VAL 66 H VAL 66 7.713 -1.253 3.722 519 HA VAL 66 HA VAL 66 5.548 -2.650 5.004 520 HB VAL 66 HB VAL 66 8.340 -3.669 4.425 521 1HG1 VAL 66 1HG1 VAL 66 7.311 -5.881 4.511 522 2HG1 VAL 66 2HG1 VAL 66 5.753 -5.149 4.894 523 3HG1 VAL 66 3HG1 VAL 66 7.092 -5.020 6.034 524 1HG2 VAL 66 1HG2 VAL 66 7.289 -2.865 2.378 525 2HG2 VAL 66 2HG2 VAL 66 5.870 -3.856 2.710 526 3HG2 VAL 66 3HG2 VAL 66 7.420 -4.623 2.378 527 H VAL 67 H VAL 67 5.288 -2.920 7.147 528 HA VAL 67 HA VAL 67 7.680 -2.661 8.843 529 HB VAL 67 HB VAL 67 6.295 -1.738 10.643 530 1HG1 VAL 67 1HG1 VAL 67 7.435 -0.181 9.179 531 2HG1 VAL 67 2HG1 VAL 67 5.876 0.480 9.671 532 3HG1 VAL 67 3HG1 VAL 67 6.074 -0.204 8.058 533 1HG2 VAL 67 1HG2 VAL 67 4.152 -2.710 10.105 534 2HG2 VAL 67 2HG2 VAL 67 4.076 -1.795 8.601 535 3HG2 VAL 67 3HG2 VAL 67 3.998 -0.954 10.149 536 H GLU 68 H GLU 68 5.996 -4.863 7.580 537 HA GLU 68 HA GLU 68 5.399 -7.005 8.004 538 1HB GLU 68 2HB GLU 68 7.660 -6.980 9.102 539 2HB GLU 68 1HB GLU 68 6.858 -6.665 10.630 540 1HG GLU 68 2HG GLU 68 6.183 -9.078 8.986 541 2HG GLU 68 1HG GLU 68 7.558 -9.064 10.085 Start of MODEL 10 1 1H MET 1 1HT MET 1 -29.467 21.283 3.375 2 2H MET 1 2HT MET 1 -29.128 19.664 2.999 3 3H MET 1 3HT MET 1 -28.985 20.861 1.805 4 HA MET 1 HA MET 1 -27.187 21.898 3.006 5 1HB MET 1 2HB MET 1 -27.521 19.536 4.865 6 2HB MET 1 1HB MET 1 -26.127 20.603 4.865 7 1HG MET 1 2HG MET 1 -27.481 21.330 6.624 8 2HG MET 1 1HG MET 1 -27.734 22.492 5.326 9 1HE MET 1 1HE MET 1 -31.222 22.362 7.095 10 2HE MET 1 2HE MET 1 -29.848 23.368 6.639 11 3HE MET 1 3HE MET 1 -29.667 22.146 7.900 12 H PHE 2 H PHE 2 -27.490 18.346 2.933 13 HA PHE 2 HA PHE 2 -26.291 16.716 1.924 14 1HB PHE 2 2HB PHE 2 -25.660 18.932 -0.030 15 2HB PHE 2 1HB PHE 2 -25.182 17.254 -0.268 16 HD1 PHE 2 HD1 PHE 2 -27.691 19.662 -0.843 17 HD2 PHE 2 HD2 PHE 2 -27.093 15.504 -0.148 18 HE1 PHE 2 HE1 PHE 2 -29.880 19.182 -1.854 19 HE2 PHE 2 HE2 PHE 2 -29.283 15.019 -1.157 20 HZ PHE 2 HZ PHE 2 -30.677 16.856 -2.010 21 H ARG 3 H ARG 3 -23.836 16.584 0.722 22 HA ARG 3 HA ARG 3 -21.894 17.974 2.347 23 1HB ARG 3 2HB ARG 3 -22.593 16.195 3.871 24 2HB ARG 3 1HB ARG 3 -22.273 14.987 2.634 25 1HG ARG 3 2HG ARG 3 -19.895 15.612 2.667 26 2HG ARG 3 1HG ARG 3 -20.237 16.766 3.957 27 1HD ARG 3 2HD ARG 3 -21.064 14.912 5.353 28 2HD ARG 3 1HD ARG 3 -20.629 13.778 4.073 29 HE ARG 3 HE ARG 3 -18.316 15.081 4.534 30 1HH1 ARG 3 1HH1 ARG 3 -20.585 13.413 6.606 31 2HH1 ARG 3 2HH1 ARG 3 -19.384 12.989 7.786 32 1HH2 ARG 3 1HH2 ARG 3 -16.730 14.514 6.085 33 2HH2 ARG 3 2HH2 ARG 3 -17.212 13.618 7.499 34 H GLU 4 H GLU 4 -22.660 15.544 -0.045 35 HA GLU 4 HA GLU 4 -21.637 14.840 -1.935 36 1HB GLU 4 2HB GLU 4 -20.847 17.278 -2.112 37 2HB GLU 4 1HB GLU 4 -19.331 16.713 -1.426 38 1HG GLU 4 2HG GLU 4 -19.146 16.823 -3.818 39 2HG GLU 4 1HG GLU 4 -19.099 15.138 -3.300 40 H GLU 5 H GLU 5 -21.247 12.823 -1.311 41 HA GLU 5 HA GLU 5 -19.297 12.164 0.676 42 1HB GLU 5 2HB GLU 5 -21.498 10.872 -0.616 43 2HB GLU 5 1HB GLU 5 -20.083 9.833 -0.722 44 1HG GLU 5 2HG GLU 5 -21.372 10.937 1.752 45 2HG GLU 5 1HG GLU 5 -21.252 9.252 1.250 46 H SER 6 H SER 6 -18.337 9.742 -0.332 47 HA SER 6 HA SER 6 -16.543 8.858 -1.371 48 1HB SER 6 2HB SER 6 -16.751 11.179 -3.307 49 2HB SER 6 1HB SER 6 -15.705 9.772 -3.501 50 HG SER 6 HG SER 6 -17.869 8.594 -3.222 51 H ARG 7 H ARG 7 -15.661 9.411 0.650 52 HA ARG 7 HA ARG 7 -14.343 11.718 1.385 53 1HB ARG 7 2HB ARG 7 -13.468 8.900 2.035 54 2HB ARG 7 1HB ARG 7 -13.094 10.350 2.959 55 1HG ARG 7 2HG ARG 7 -15.855 9.228 2.532 56 2HG ARG 7 1HG ARG 7 -14.874 9.012 3.983 57 1HD ARG 7 2HD ARG 7 -14.958 11.325 4.491 58 2HD ARG 7 1HD ARG 7 -15.632 11.717 2.909 59 HE ARG 7 HE ARG 7 -17.718 10.823 3.593 60 1HH1 ARG 7 1HH1 ARG 7 -15.328 10.903 6.160 61 2HH1 ARG 7 2HH1 ARG 7 -16.497 10.729 7.429 62 1HH2 ARG 7 1HH2 ARG 7 -19.249 10.622 5.240 63 2HH2 ARG 7 2HH2 ARG 7 -18.747 10.578 6.904 64 H SER 8 H SER 8 -12.369 12.608 1.062 65 HA SER 8 HA SER 8 -10.942 11.954 -1.291 66 1HB SER 8 2HB SER 8 -10.082 13.747 0.989 67 2HB SER 8 1HB SER 8 -9.472 13.779 -0.668 68 HG SER 8 HG SER 8 -11.564 14.384 -1.359 69 H VAL 9 H VAL 9 -10.198 9.938 -1.240 70 HA VAL 9 HA VAL 9 -8.525 8.439 -1.151 71 HB VAL 9 HB VAL 9 -6.970 10.313 0.627 72 1HG1 VAL 9 1HG1 VAL 9 -6.152 8.200 -1.349 73 2HG1 VAL 9 2HG1 VAL 9 -6.109 8.053 0.407 74 3HG1 VAL 9 3HG1 VAL 9 -5.053 9.209 -0.405 75 1HG2 VAL 9 1HG2 VAL 9 -7.747 11.543 -1.363 76 2HG2 VAL 9 2HG2 VAL 9 -7.056 10.289 -2.395 77 3HG2 VAL 9 3HG2 VAL 9 -6.001 11.282 -1.390 78 HA PRO 10 HA PRO 10 -9.985 6.471 2.576 79 1HB PRO 10 2HB PRO 10 -9.258 3.955 1.879 80 2HB PRO 10 1HB PRO 10 -10.678 4.765 1.208 81 1HG PRO 10 2HG PRO 10 -7.949 4.438 0.019 82 2HG PRO 10 1HG PRO 10 -9.533 4.252 -0.754 83 1HD PRO 10 2HD PRO 10 -8.028 6.485 -1.027 84 2HD PRO 10 1HD PRO 10 -9.801 6.524 -1.032 85 H VAL 11 H VAL 11 -6.776 6.845 1.572 86 HA VAL 11 HA VAL 11 -5.828 5.917 4.188 87 HB VAL 11 HB VAL 11 -3.688 5.167 3.112 88 1HG1 VAL 11 1HG1 VAL 11 -4.576 3.004 2.334 89 2HG1 VAL 11 2HG1 VAL 11 -6.200 3.695 2.333 90 3HG1 VAL 11 3HG1 VAL 11 -5.309 3.538 3.849 91 1HG2 VAL 11 1HG2 VAL 11 -3.748 4.584 0.717 92 2HG2 VAL 11 2HG2 VAL 11 -3.861 6.321 0.989 93 3HG2 VAL 11 3HG2 VAL 11 -5.305 5.399 0.575 94 H GLU 12 H GLU 12 -4.601 7.385 5.229 95 HA GLU 12 HA GLU 12 -3.683 9.687 3.639 96 1HB GLU 12 2HB GLU 12 -4.533 9.551 6.528 97 2HB GLU 12 1HB GLU 12 -3.782 10.960 5.791 98 1HG GLU 12 2HG GLU 12 -5.659 11.006 4.151 99 2HG GLU 12 1HG GLU 12 -6.433 9.732 5.095 100 H GLU 13 H GLU 13 -1.928 10.921 4.881 101 HA GLU 13 HA GLU 13 0.381 9.307 4.765 102 1HB GLU 13 2HB GLU 13 0.098 12.121 5.817 103 2HB GLU 13 1HB GLU 13 1.587 11.347 5.284 104 1HG GLU 13 2HG GLU 13 0.662 11.155 3.022 105 2HG GLU 13 1HG GLU 13 -0.801 11.975 3.565 106 H GLY 14 H GLY 14 1.309 8.128 6.249 107 1HA GLY 14 2HA GLY 14 2.432 7.826 8.278 108 2HA GLY 14 1HA GLY 14 1.423 9.053 9.014 109 H GLU 15 H GLU 15 -0.208 6.652 7.144 110 HA GLU 15 HA GLU 15 -1.303 5.640 9.685 111 1HB GLU 15 2HB GLU 15 -2.425 5.398 6.899 112 2HB GLU 15 1HB GLU 15 -3.177 4.766 8.348 113 1HG GLU 15 2HG GLU 15 -3.108 7.197 9.185 114 2HG GLU 15 1HG GLU 15 -2.850 7.604 7.487 115 H VAL 16 H VAL 16 -1.891 3.353 9.805 116 HA VAL 16 HA VAL 16 0.004 1.636 8.337 117 HB VAL 16 HB VAL 16 -0.772 1.333 11.249 118 1HG1 VAL 16 1HG1 VAL 16 0.942 -0.423 11.295 119 2HG1 VAL 16 2HG1 VAL 16 1.178 -0.227 9.558 120 3HG1 VAL 16 3HG1 VAL 16 -0.368 -0.809 10.177 121 1HG2 VAL 16 1HG2 VAL 16 1.586 1.874 11.726 122 2HG2 VAL 16 2HG2 VAL 16 0.725 3.220 10.979 123 3HG2 VAL 16 3HG2 VAL 16 1.832 2.238 10.018 124 H TYR 17 H TYR 17 -0.952 0.028 7.269 125 HA TYR 17 HA TYR 17 -3.624 -0.864 8.146 126 1HB TYR 17 2HB TYR 17 -2.688 -0.197 5.358 127 2HB TYR 17 1HB TYR 17 -4.132 -1.153 5.673 128 HD1 TYR 17 HD1 TYR 17 -6.158 -0.132 6.316 129 HD2 TYR 17 HD2 TYR 17 -2.593 2.183 6.143 130 HE1 TYR 17 HE1 TYR 17 -7.479 1.919 6.581 131 HE2 TYR 17 HE2 TYR 17 -3.908 4.237 6.399 132 HH TYR 17 HH TYR 17 -6.038 5.108 6.308 133 H ASP 18 H ASP 18 -4.010 -3.007 8.127 134 HA ASP 18 HA ASP 18 -1.932 -4.874 7.358 135 1HB ASP 18 2HB ASP 18 -4.769 -5.277 8.343 136 2HB ASP 18 1HB ASP 18 -3.730 -6.612 7.866 137 H VAL 19 H VAL 19 -1.599 -4.871 5.177 138 HA VAL 19 HA VAL 19 -3.992 -4.989 3.470 139 HB VAL 19 HB VAL 19 -2.607 -4.093 1.650 140 1HG1 VAL 19 1HG1 VAL 19 -2.540 -2.418 4.158 141 2HG1 VAL 19 2HG1 VAL 19 -3.888 -2.552 3.027 142 3HG1 VAL 19 3HG1 VAL 19 -2.371 -1.813 2.508 143 1HG2 VAL 19 1HG2 VAL 19 -0.373 -3.154 2.181 144 2HG2 VAL 19 2HG2 VAL 19 -0.435 -4.913 2.286 145 3HG2 VAL 19 3HG2 VAL 19 -0.454 -3.942 3.757 146 H THR 20 H THR 20 -4.121 -6.424 1.796 147 HA THR 20 HA THR 20 -2.067 -8.524 1.698 148 HB THR 20 HB THR 20 -4.916 -8.669 0.671 149 HG1 THR 20 HG1 THR 20 -3.934 -8.847 3.190 150 1HG2 THR 20 1HG2 THR 20 -2.820 -10.791 1.150 151 2HG2 THR 20 2HG2 THR 20 -3.373 -10.211 -0.423 152 3HG2 THR 20 3HG2 THR 20 -4.481 -11.091 0.634 153 H ILE 21 H ILE 21 -0.761 -8.437 0.002 154 HA ILE 21 HA ILE 21 -1.109 -6.455 -1.998 155 HB ILE 21 HB ILE 21 0.863 -8.740 -1.968 156 1HG1 ILE 21 2HG1 ILE 21 0.991 -7.445 0.106 157 2HG1 ILE 21 1HG1 ILE 21 2.398 -7.142 -0.900 158 1HG2 ILE 21 1HG2 ILE 21 0.911 -6.074 -3.374 159 2HG2 ILE 21 2HG2 ILE 21 0.689 -7.650 -4.134 160 3HG2 ILE 21 3HG2 ILE 21 2.226 -7.250 -3.364 161 1HD1 ILE 21 1HD1 ILE 21 1.418 -5.031 -1.637 162 2HD1 ILE 21 2HD1 ILE 21 1.604 -5.096 0.115 163 3HD1 ILE 21 3HD1 ILE 21 0.015 -5.334 -0.612 164 H GLN 22 H GLN 22 -2.324 -6.581 -3.743 165 HA GLN 22 HA GLN 22 -3.458 -9.138 -4.489 166 1HB GLN 22 2HB GLN 22 -4.032 -6.377 -5.572 167 2HB GLN 22 1HB GLN 22 -4.967 -7.830 -5.894 168 1HG GLN 22 2HG GLN 22 -4.614 -6.571 -3.184 169 2HG GLN 22 1HG GLN 22 -6.009 -6.342 -4.235 170 1HE2 GLN 22 1HE2 GLN 22 -7.441 -7.190 -2.786 171 2HE2 GLN 22 2HE2 GLN 22 -7.501 -8.873 -2.389 172 H ASP 23 H ASP 23 -1.694 -6.496 -6.082 173 HA ASP 23 HA ASP 23 -0.903 -8.421 -8.165 174 1HB ASP 23 2HB ASP 23 -1.745 -5.546 -8.493 175 2HB ASP 23 1HB ASP 23 -0.810 -6.397 -9.717 176 H ILE 24 H ILE 24 0.957 -7.200 -9.525 177 HA ILE 24 HA ILE 24 2.902 -6.048 -7.681 178 HB ILE 24 HB ILE 24 3.419 -8.446 -9.465 179 1HG1 ILE 24 2HG1 ILE 24 2.425 -9.000 -7.286 180 2HG1 ILE 24 1HG1 ILE 24 4.079 -9.590 -7.416 181 1HG2 ILE 24 1HG2 ILE 24 5.405 -6.848 -7.858 182 2HG2 ILE 24 2HG2 ILE 24 5.269 -6.862 -9.617 183 3HG2 ILE 24 3HG2 ILE 24 5.749 -8.326 -8.755 184 1HD1 ILE 24 1HD1 ILE 24 3.704 -8.683 -5.226 185 2HD1 ILE 24 2HD1 ILE 24 3.144 -7.161 -5.913 186 3HD1 ILE 24 3HD1 ILE 24 4.831 -7.641 -6.100 187 H ALA 25 H ALA 25 4.135 -4.509 -8.670 188 HA ALA 25 HA ALA 25 3.327 -3.534 -11.226 189 1HB ALA 25 1HB ALA 25 4.263 -2.185 -9.349 190 2HB ALA 25 2HB ALA 25 5.045 -1.903 -10.906 191 3HB ALA 25 3HB ALA 25 5.837 -2.915 -9.690 192 H ARG 26 H ARG 26 6.488 -4.508 -10.113 193 HA ARG 26 HA ARG 26 6.843 -6.664 -11.859 194 1HB ARG 26 2HB ARG 26 8.666 -5.733 -13.255 195 2HB ARG 26 1HB ARG 26 7.113 -4.990 -13.602 196 1HG ARG 26 2HG ARG 26 7.735 -3.037 -12.294 197 2HG ARG 26 1HG ARG 26 9.285 -3.787 -11.900 198 1HD ARG 26 2HD ARG 26 9.832 -3.864 -14.292 199 2HD ARG 26 1HD ARG 26 8.300 -3.071 -14.655 200 HE ARG 26 HE ARG 26 9.606 -1.421 -12.867 201 1HH1 ARG 26 1HH1 ARG 26 10.254 -2.766 -16.037 202 2HH1 ARG 26 2HH1 ARG 26 11.166 -1.384 -16.587 203 1HH2 ARG 26 1HH2 ARG 26 10.801 0.411 -13.584 204 2HH2 ARG 26 2HH2 ARG 26 11.470 0.422 -15.191 205 H GLN 27 H GLN 27 8.110 -7.925 -10.775 206 HA GLN 27 HA GLN 27 10.016 -8.708 -9.801 207 1HB GLN 27 2HB GLN 27 11.245 -6.866 -10.906 208 2HB GLN 27 1HB GLN 27 10.889 -5.827 -9.532 209 1HG GLN 27 2HG GLN 27 12.143 -7.363 -8.076 210 2HG GLN 27 1HG GLN 27 12.532 -8.351 -9.484 211 1HE2 GLN 27 1HE2 GLN 27 14.730 -8.051 -9.264 212 2HE2 GLN 27 2HE2 GLN 27 15.505 -6.537 -9.612 213 H GLY 28 H GLY 28 9.082 -5.658 -8.111 214 1HA GLY 28 2HA GLY 28 8.810 -7.261 -5.673 215 2HA GLY 28 1HA GLY 28 10.060 -6.036 -5.685 216 H ASP 29 H ASP 29 8.136 -4.298 -7.372 217 HA ASP 29 HA ASP 29 7.016 -2.957 -5.100 218 1HB ASP 29 2HB ASP 29 6.330 -2.385 -7.983 219 2HB ASP 29 1HB ASP 29 6.222 -1.292 -6.615 220 H GLY 30 H GLY 30 5.340 -3.809 -4.076 221 1HA GLY 30 2HA GLY 30 3.412 -5.456 -5.443 222 2HA GLY 30 1HA GLY 30 3.413 -5.049 -3.733 223 H ILE 31 H ILE 31 1.297 -5.048 -5.834 224 HA ILE 31 HA ILE 31 0.525 -2.214 -5.724 225 HB ILE 31 HB ILE 31 -0.588 -4.430 -7.454 226 1HG1 ILE 31 2HG1 ILE 31 1.654 -3.772 -8.147 227 2HG1 ILE 31 1HG1 ILE 31 0.471 -3.196 -9.311 228 1HG2 ILE 31 1HG2 ILE 31 -1.836 -2.655 -8.594 229 2HG2 ILE 31 2HG2 ILE 31 -1.227 -1.481 -7.427 230 3HG2 ILE 31 3HG2 ILE 31 -2.292 -2.783 -6.895 231 1HD1 ILE 31 1HD1 ILE 31 1.777 -1.533 -7.172 232 2HD1 ILE 31 2HD1 ILE 31 0.612 -0.957 -8.366 233 3HD1 ILE 31 3HD1 ILE 31 2.196 -1.535 -8.883 234 H ALA 32 H ALA 32 -0.438 -1.942 -3.808 235 HA ALA 32 HA ALA 32 -2.595 -3.771 -3.030 236 1HB ALA 32 1HB ALA 32 -2.589 -2.558 -0.900 237 2HB ALA 32 2HB ALA 32 -1.361 -1.455 -1.525 238 3HB ALA 32 3HB ALA 32 -0.979 -3.161 -1.290 239 H ARG 33 H ARG 33 -4.732 -3.006 -2.764 240 HA ARG 33 HA ARG 33 -5.243 -0.285 -3.686 241 1HB ARG 33 2HB ARG 33 -7.152 -1.140 -5.094 242 2HB ARG 33 1HB ARG 33 -5.541 -1.475 -5.712 243 1HG ARG 33 2HG ARG 33 -5.676 -3.758 -5.002 244 2HG ARG 33 1HG ARG 33 -7.203 -3.455 -4.172 245 1HD ARG 33 2HD ARG 33 -7.467 -4.580 -6.369 246 2HD ARG 33 1HD ARG 33 -8.319 -3.043 -6.252 247 HE ARG 33 HE ARG 33 -6.774 -2.079 -7.737 248 1HH1 ARG 33 1HH1 ARG 33 -6.150 -5.481 -7.160 249 2HH1 ARG 33 2HH1 ARG 33 -5.084 -5.652 -8.529 250 1HH2 ARG 33 1HH2 ARG 33 -5.428 -2.316 -9.566 251 2HH2 ARG 33 2HH2 ARG 33 -4.715 -3.860 -9.926 252 H ILE 34 H ILE 34 -6.171 0.592 -1.982 253 HA ILE 34 HA ILE 34 -8.317 -0.884 -0.621 254 HB ILE 34 HB ILE 34 -6.813 1.606 0.186 255 1HG1 ILE 34 2HG1 ILE 34 -7.034 -1.169 1.372 256 2HG1 ILE 34 1HG1 ILE 34 -5.617 -0.473 0.593 257 1HG2 ILE 34 1HG2 ILE 34 -8.198 1.693 2.175 258 2HG2 ILE 34 2HG2 ILE 34 -9.121 0.297 1.622 259 3HG2 ILE 34 3HG2 ILE 34 -9.209 1.819 0.731 260 1HD1 ILE 34 1HD1 ILE 34 -5.479 1.185 2.402 261 2HD1 ILE 34 2HD1 ILE 34 -5.337 -0.475 2.979 262 3HD1 ILE 34 3HD1 ILE 34 -6.850 0.406 3.192 263 H GLU 35 H GLU 35 -10.287 -0.516 -1.222 264 HA GLU 35 HA GLU 35 -12.159 0.412 -2.099 265 1HB GLU 35 2HB GLU 35 -11.530 2.302 -0.532 266 2HB GLU 35 1HB GLU 35 -10.783 3.092 -1.914 267 1HG GLU 35 2HG GLU 35 -13.037 2.886 -3.047 268 2HG GLU 35 1HG GLU 35 -13.680 2.477 -1.460 269 H GLY 36 H GLY 36 -9.244 0.354 -3.554 270 1HA GLY 36 2HA GLY 36 -9.258 -0.052 -5.982 271 2HA GLY 36 1HA GLY 36 -10.301 1.356 -6.119 272 H PHE 37 H PHE 37 -8.452 2.476 -3.857 273 HA PHE 37 HA PHE 37 -6.809 3.981 -5.658 274 1HB PHE 37 2HB PHE 37 -7.872 4.826 -3.493 275 2HB PHE 37 1HB PHE 37 -6.602 3.950 -2.645 276 HD1 PHE 37 HD1 PHE 37 -7.140 6.551 -5.236 277 HD2 PHE 37 HD2 PHE 37 -4.547 4.968 -2.257 278 HE1 PHE 37 HE1 PHE 37 -5.654 8.491 -5.508 279 HE2 PHE 37 HE2 PHE 37 -3.053 6.906 -2.529 280 HZ PHE 37 HZ PHE 37 -3.608 8.670 -4.154 281 H VAL 38 H VAL 38 -4.752 3.636 -6.210 282 HA VAL 38 HA VAL 38 -3.609 1.084 -5.506 283 HB VAL 38 HB VAL 38 -2.508 3.211 -7.352 284 1HG1 VAL 38 1HG1 VAL 38 -1.836 0.282 -7.096 285 2HG1 VAL 38 2HG1 VAL 38 -0.813 1.633 -6.607 286 3HG1 VAL 38 3HG1 VAL 38 -1.190 1.386 -8.312 287 1HG2 VAL 38 1HG2 VAL 38 -4.707 2.472 -8.091 288 2HG2 VAL 38 2HG2 VAL 38 -4.195 0.789 -7.977 289 3HG2 VAL 38 3HG2 VAL 38 -3.453 1.857 -9.169 290 H ILE 39 H ILE 39 -2.050 0.688 -4.123 291 HA ILE 39 HA ILE 39 -0.365 2.909 -3.160 292 HB ILE 39 HB ILE 39 -1.191 0.476 -1.560 293 1HG1 ILE 39 2HG1 ILE 39 -2.185 3.328 -1.300 294 2HG1 ILE 39 1HG1 ILE 39 -3.109 1.998 -1.998 295 1HG2 ILE 39 1HG2 ILE 39 -0.229 1.712 0.332 296 2HG2 ILE 39 2HG2 ILE 39 0.266 2.997 -0.770 297 3HG2 ILE 39 3HG2 ILE 39 0.967 1.386 -0.922 298 1HD1 ILE 39 1HD1 ILE 39 -3.086 0.848 0.138 299 2HD1 ILE 39 2HD1 ILE 39 -3.767 2.465 0.302 300 3HD1 ILE 39 3HD1 ILE 39 -2.120 2.143 0.843 301 H PHE 40 H PHE 40 1.746 2.626 -3.567 302 HA PHE 40 HA PHE 40 2.655 0.055 -4.589 303 1HB PHE 40 2HB PHE 40 3.868 2.810 -4.525 304 2HB PHE 40 1HB PHE 40 4.823 1.397 -4.957 305 HD1 PHE 40 HD1 PHE 40 4.815 0.588 -7.129 306 HD2 PHE 40 HD2 PHE 40 1.755 3.275 -5.894 307 HE1 PHE 40 HE1 PHE 40 4.029 0.759 -9.456 308 HE2 PHE 40 HE2 PHE 40 0.964 3.448 -8.215 309 HZ PHE 40 HZ PHE 40 2.104 2.191 -10.001 310 H VAL 41 H VAL 41 3.991 -1.309 -3.566 311 HA VAL 41 HA VAL 41 5.177 -0.448 -1.010 312 HB VAL 41 HB VAL 41 3.845 -3.135 -1.418 313 1HG1 VAL 41 1HG1 VAL 41 4.177 -3.396 0.990 314 2HG1 VAL 41 2HG1 VAL 41 4.998 -1.837 1.047 315 3HG1 VAL 41 3HG1 VAL 41 5.711 -3.176 0.147 316 1HG2 VAL 41 1HG2 VAL 41 2.155 -1.378 -1.340 317 2HG2 VAL 41 2HG2 VAL 41 2.859 -0.753 0.151 318 3HG2 VAL 41 3HG2 VAL 41 2.114 -2.351 0.128 319 HA PRO 42 HA PRO 42 8.554 -2.206 -3.450 320 1HB PRO 42 2HB PRO 42 10.245 -1.016 -1.384 321 2HB PRO 42 1HB PRO 42 10.179 -0.665 -3.110 322 1HG PRO 42 2HG PRO 42 9.293 1.069 -1.236 323 2HG PRO 42 1HG PRO 42 8.575 0.958 -2.853 324 1HD PRO 42 2HD PRO 42 7.585 -0.156 -0.256 325 2HD PRO 42 1HD PRO 42 6.673 0.603 -1.578 326 H GLY 43 H GLY 43 8.411 -4.398 -3.029 327 1HA GLY 43 2HA GLY 43 9.959 -6.092 -2.199 328 2HA GLY 43 1HA GLY 43 9.941 -5.260 -0.653 329 H THR 44 H THR 44 7.299 -6.297 -2.808 330 HA THR 44 HA THR 44 6.439 -8.174 -0.731 331 HB THR 44 HB THR 44 4.035 -7.404 -1.330 332 HG1 THR 44 HG1 THR 44 5.483 -5.003 -1.857 333 1HG2 THR 44 1HG2 THR 44 4.983 -7.229 0.896 334 2HG2 THR 44 2HG2 THR 44 4.070 -5.770 0.509 335 3HG2 THR 44 3HG2 THR 44 5.832 -5.752 0.441 336 H LYS 45 H LYS 45 4.509 -9.517 -1.607 337 HA LYS 45 HA LYS 45 4.934 -10.122 -4.451 338 1HB LYS 45 2HB LYS 45 6.125 -11.614 -2.576 339 2HB LYS 45 1HB LYS 45 4.547 -12.386 -2.552 340 1HG LYS 45 2HG LYS 45 5.566 -13.678 -4.112 341 2HG LYS 45 1HG LYS 45 4.924 -12.419 -5.167 342 1HD LYS 45 2HD LYS 45 7.709 -12.390 -4.009 343 2HD LYS 45 1HD LYS 45 7.315 -13.027 -5.604 344 1HE LYS 45 2HE LYS 45 6.739 -10.914 -6.429 345 2HE LYS 45 1HE LYS 45 6.579 -10.228 -4.812 346 1HZ LYS 45 1HZ LYS 45 8.638 -9.579 -6.048 347 2HZ LYS 45 2HZ LYS 45 9.163 -11.183 -5.913 348 3HZ LYS 45 3HZ LYS 45 8.908 -10.255 -4.519 349 H VAL 46 H VAL 46 3.173 -11.635 -5.277 350 HA VAL 46 HA VAL 46 0.622 -10.580 -4.650 351 HB VAL 46 HB VAL 46 1.214 -13.151 -6.131 352 1HG1 VAL 46 1HG1 VAL 46 -1.195 -11.335 -6.201 353 2HG1 VAL 46 2HG1 VAL 46 -1.116 -12.931 -5.452 354 3HG1 VAL 46 3HG1 VAL 46 -0.952 -12.769 -7.200 355 1HG2 VAL 46 1HG2 VAL 46 0.943 -10.345 -7.205 356 2HG2 VAL 46 2HG2 VAL 46 1.098 -11.809 -8.177 357 3HG2 VAL 46 3HG2 VAL 46 2.427 -11.297 -7.137 358 H GLY 47 H GLY 47 -0.536 -11.000 -2.898 359 1HA GLY 47 2HA GLY 47 -1.800 -12.448 -1.520 360 2HA GLY 47 1HA GLY 47 -0.704 -13.759 -1.924 361 H ASP 48 H ASP 48 1.173 -11.127 -1.274 362 HA ASP 48 HA ASP 48 2.007 -12.194 1.256 363 1HB ASP 48 2HB ASP 48 3.382 -10.906 -0.612 364 2HB ASP 48 1HB ASP 48 2.883 -9.493 0.308 365 H GLU 49 H GLU 49 1.208 -11.684 3.182 366 HA GLU 49 HA GLU 49 -0.569 -9.358 3.384 367 1HB GLU 49 2HB GLU 49 -0.332 -11.821 5.120 368 2HB GLU 49 1HB GLU 49 -1.418 -10.477 5.443 369 1HG GLU 49 2HG GLU 49 -2.595 -10.903 3.363 370 2HG GLU 49 1HG GLU 49 -1.487 -12.225 2.996 371 H VAL 50 H VAL 50 0.439 -7.615 4.112 372 HA VAL 50 HA VAL 50 2.184 -7.872 6.457 373 HB VAL 50 HB VAL 50 3.739 -6.178 5.456 374 1HG1 VAL 50 1HG1 VAL 50 4.364 -8.515 5.573 375 2HG1 VAL 50 2HG1 VAL 50 4.978 -7.784 4.090 376 3HG1 VAL 50 3HG1 VAL 50 3.557 -8.829 4.035 377 1HG2 VAL 50 1HG2 VAL 50 3.787 -5.950 3.013 378 2HG2 VAL 50 2HG2 VAL 50 2.302 -5.305 3.710 379 3HG2 VAL 50 3HG2 VAL 50 2.286 -6.875 2.903 380 H ARG 51 H ARG 51 2.529 -5.868 7.592 381 HA ARG 51 HA ARG 51 0.336 -3.961 7.233 382 1HB ARG 51 2HB ARG 51 2.344 -4.303 9.469 383 2HB ARG 51 1HB ARG 51 1.132 -3.027 9.415 384 1HG ARG 51 2HG ARG 51 -0.631 -4.722 9.381 385 2HG ARG 51 1HG ARG 51 0.598 -5.980 9.494 386 1HD ARG 51 2HD ARG 51 1.319 -5.098 11.651 387 2HD ARG 51 1HD ARG 51 0.127 -3.803 11.528 388 HE ARG 51 HE ARG 51 -1.143 -6.319 11.275 389 1HH1 ARG 51 1HH1 ARG 51 0.310 -4.189 13.663 390 2HH1 ARG 51 2HH1 ARG 51 -0.619 -4.840 14.981 391 1HH2 ARG 51 1HH2 ARG 51 -2.310 -7.204 13.018 392 2HH2 ARG 51 2HH2 ARG 51 -2.086 -6.570 14.624 393 H ILE 52 H ILE 52 0.658 -2.114 6.237 394 HA ILE 52 HA ILE 52 3.438 -1.211 5.851 395 HB ILE 52 HB ILE 52 2.728 -0.184 3.732 396 1HG1 ILE 52 2HG1 ILE 52 0.115 -1.657 4.148 397 2HG1 ILE 52 1HG1 ILE 52 0.324 0.078 4.349 398 1HG2 ILE 52 1HG2 ILE 52 2.500 -2.259 2.438 399 2HG2 ILE 52 2HG2 ILE 52 2.145 -3.137 3.926 400 3HG2 ILE 52 3HG2 ILE 52 3.729 -2.394 3.697 401 1HD1 ILE 52 1HD1 ILE 52 0.924 0.280 1.993 402 2HD1 ILE 52 2HD1 ILE 52 -0.671 -0.441 2.202 403 3HD1 ILE 52 3HD1 ILE 52 0.708 -1.459 1.790 404 H LYS 53 H LYS 53 3.909 0.904 6.178 405 HA LYS 53 HA LYS 53 1.757 2.579 7.255 406 1HB LYS 53 2HB LYS 53 3.869 2.379 8.577 407 2HB LYS 53 1HB LYS 53 4.741 3.110 7.236 408 1HG LYS 53 2HG LYS 53 3.205 5.106 7.487 409 2HG LYS 53 1HG LYS 53 2.657 4.382 9.000 410 1HD LYS 53 2HD LYS 53 4.986 4.387 9.809 411 2HD LYS 53 1HD LYS 53 5.485 5.172 8.313 412 1HE LYS 53 2HE LYS 53 5.286 6.865 9.965 413 2HE LYS 53 1HE LYS 53 3.917 7.035 8.871 414 1HZ LYS 53 1HZ LYS 53 3.818 5.657 11.502 415 2HZ LYS 53 2HZ LYS 53 2.505 5.962 10.477 416 3HZ LYS 53 3HZ LYS 53 3.306 7.253 11.224 417 H VAL 54 H VAL 54 0.716 3.656 5.706 418 HA VAL 54 HA VAL 54 1.896 4.420 3.224 419 HB VAL 54 HB VAL 54 -0.625 5.461 4.551 420 1HG1 VAL 54 1HG1 VAL 54 -1.266 6.201 2.304 421 2HG1 VAL 54 2HG1 VAL 54 0.312 5.700 1.695 422 3HG1 VAL 54 3HG1 VAL 54 0.196 7.014 2.867 423 1HG2 VAL 54 1HG2 VAL 54 -0.207 3.311 2.486 424 2HG2 VAL 54 2HG2 VAL 54 -1.775 3.935 2.996 425 3HG2 VAL 54 3HG2 VAL 54 -0.749 3.082 4.148 426 H GLU 55 H GLU 55 3.484 5.847 3.148 427 HA GLU 55 HA GLU 55 3.806 7.744 5.321 428 1HB GLU 55 2HB GLU 55 5.613 7.140 2.975 429 2HB GLU 55 1HB GLU 55 6.026 8.117 4.372 430 1HG GLU 55 2HG GLU 55 5.701 6.111 5.800 431 2HG GLU 55 1HG GLU 55 5.463 5.168 4.329 432 H ARG 56 H ARG 56 3.294 7.731 1.836 433 HA ARG 56 HA ARG 56 2.710 10.601 1.952 434 1HB ARG 56 2HB ARG 56 4.843 9.293 0.323 435 2HB ARG 56 1HB ARG 56 3.958 10.633 -0.387 436 1HG ARG 56 2HG ARG 56 5.459 10.747 2.220 437 2HG ARG 56 1HG ARG 56 6.075 11.313 0.667 438 1HD ARG 56 2HD ARG 56 3.952 12.761 0.594 439 2HD ARG 56 1HD ARG 56 3.825 12.412 2.316 440 HE ARG 56 HE ARG 56 6.420 13.382 1.572 441 1HH1 ARG 56 1HH1 ARG 56 3.180 14.332 2.554 442 2HH1 ARG 56 2HH1 ARG 56 3.653 15.965 2.941 443 1HH2 ARG 56 1HH2 ARG 56 7.028 15.526 2.093 444 2HH2 ARG 56 2HH2 ARG 56 5.823 16.644 2.681 445 H VAL 57 H VAL 57 0.888 11.053 0.926 446 HA VAL 57 HA VAL 57 -0.123 9.156 -1.048 447 HB VAL 57 HB VAL 57 -2.227 10.514 -0.957 448 1HG1 VAL 57 1HG1 VAL 57 -1.226 9.355 1.645 449 2HG1 VAL 57 2HG1 VAL 57 -2.034 8.483 0.341 450 3HG1 VAL 57 3HG1 VAL 57 -2.915 9.695 1.270 451 1HG2 VAL 57 1HG2 VAL 57 -1.297 12.640 -0.190 452 2HG2 VAL 57 2HG2 VAL 57 -0.837 11.902 1.343 453 3HG2 VAL 57 3HG2 VAL 57 -2.541 12.070 0.922 454 H LEU 58 H LEU 58 0.268 9.508 -3.112 455 HA LEU 58 HA LEU 58 1.125 12.193 -3.919 456 1HB LEU 58 2HB LEU 58 1.518 9.529 -5.292 457 2HB LEU 58 1HB LEU 58 2.127 11.068 -5.875 458 HG LEU 58 HG LEU 58 2.965 9.655 -3.342 459 1HD1 LEU 58 1HD1 LEU 58 4.441 10.218 -5.905 460 2HD1 LEU 58 2HD1 LEU 58 3.879 8.643 -5.343 461 3HD1 LEU 58 3HD1 LEU 58 5.137 9.500 -4.452 462 1HD2 LEU 58 1HD2 LEU 58 4.583 11.448 -3.061 463 2HD2 LEU 58 2HD2 LEU 58 2.937 12.081 -3.031 464 3HD2 LEU 58 3HD2 LEU 58 3.932 12.277 -4.474 465 HA PRO 59 HA PRO 59 -2.216 13.416 -6.400 466 1HB PRO 59 2HB PRO 59 -0.556 12.877 -8.835 467 2HB PRO 59 1HB PRO 59 -1.542 14.290 -8.436 468 1HG PRO 59 2HG PRO 59 1.096 14.363 -8.125 469 2HG PRO 59 1HG PRO 59 0.022 15.125 -6.937 470 1HD PRO 59 2HD PRO 59 1.604 12.623 -6.726 471 2HD PRO 59 1HD PRO 59 1.105 13.758 -5.457 472 H LYS 60 H LYS 60 -0.658 10.466 -7.690 473 HA LYS 60 HA LYS 60 -3.319 9.673 -8.672 474 1HB LYS 60 2HB LYS 60 -1.446 10.259 -10.368 475 2HB LYS 60 1HB LYS 60 -0.787 8.686 -9.937 476 1HG LYS 60 2HG LYS 60 -2.110 8.406 -11.890 477 2HG LYS 60 1HG LYS 60 -2.995 7.685 -10.542 478 1HD LYS 60 2HD LYS 60 -4.205 9.916 -10.350 479 2HD LYS 60 1HD LYS 60 -3.507 10.308 -11.922 480 1HE LYS 60 2HE LYS 60 -5.721 9.435 -12.254 481 2HE LYS 60 1HE LYS 60 -4.550 8.252 -12.840 482 1HZ LYS 60 1HZ LYS 60 -5.848 8.151 -10.169 483 2HZ LYS 60 2HZ LYS 60 -4.834 6.970 -10.849 484 3HZ LYS 60 3HZ LYS 60 -6.360 7.263 -11.522 485 H PHE 61 H PHE 61 -1.055 8.906 -6.374 486 HA PHE 61 HA PHE 61 -2.204 6.391 -5.787 487 1HB PHE 61 2HB PHE 61 -0.276 4.919 -6.199 488 2HB PHE 61 1HB PHE 61 -0.888 5.605 -7.697 489 HD1 PHE 61 HD1 PHE 61 1.890 5.557 -5.320 490 HD2 PHE 61 HD2 PHE 61 0.423 7.182 -8.967 491 HE1 PHE 61 HE1 PHE 61 4.155 6.336 -5.879 492 HE2 PHE 61 HE2 PHE 61 2.682 7.966 -9.532 493 HZ PHE 61 HZ PHE 61 4.554 7.541 -7.990 494 H ALA 62 H ALA 62 -0.966 5.250 -3.988 495 HA ALA 62 HA ALA 62 0.288 7.313 -2.298 496 1HB ALA 62 1HB ALA 62 -1.787 6.427 -1.385 497 2HB ALA 62 2HB ALA 62 -0.415 5.965 -0.379 498 3HB ALA 62 3HB ALA 62 -1.141 4.790 -1.474 499 H PHE 63 H PHE 63 2.147 6.871 -1.172 500 HA PHE 63 HA PHE 63 3.590 4.425 -1.959 501 1HB PHE 63 2HB PHE 63 4.663 6.507 -2.742 502 2HB PHE 63 1HB PHE 63 4.705 7.108 -1.088 503 HD1 PHE 63 HD1 PHE 63 6.438 6.494 0.387 504 HD2 PHE 63 HD2 PHE 63 6.030 4.511 -3.355 505 HE1 PHE 63 HE1 PHE 63 8.636 5.435 0.711 506 HE2 PHE 63 HE2 PHE 63 8.223 3.447 -3.036 507 HZ PHE 63 HZ PHE 63 9.531 3.908 -1.001 508 H ALA 64 H ALA 64 4.075 3.022 -0.368 509 HA ALA 64 HA ALA 64 3.856 3.974 2.410 510 1HB ALA 64 1HB ALA 64 2.667 1.434 1.297 511 2HB ALA 64 2HB ALA 64 1.773 2.866 1.811 512 3HB ALA 64 3HB ALA 64 2.668 1.911 2.994 513 H SER 65 H SER 65 4.957 2.705 3.966 514 HA SER 65 HA SER 65 7.249 1.252 2.842 515 1HB SER 65 2HB SER 65 7.551 3.332 4.319 516 2HB SER 65 1HB SER 65 7.014 2.315 5.656 517 HG SER 65 HG SER 65 9.375 2.236 4.168 518 H VAL 66 H VAL 66 7.501 -0.868 3.278 519 HA VAL 66 HA VAL 66 5.346 -2.231 4.608 520 HB VAL 66 HB VAL 66 6.198 -3.196 2.570 521 1HG1 VAL 66 1HG1 VAL 66 8.455 -4.114 2.385 522 2HG1 VAL 66 2HG1 VAL 66 8.848 -3.468 3.979 523 3HG1 VAL 66 3HG1 VAL 66 8.480 -2.370 2.648 524 1HG2 VAL 66 1HG2 VAL 66 6.673 -5.491 3.320 525 2HG2 VAL 66 2HG2 VAL 66 5.326 -4.762 4.191 526 3HG2 VAL 66 3HG2 VAL 66 6.907 -4.888 4.961 527 H VAL 67 H VAL 67 5.278 -2.767 6.680 528 HA VAL 67 HA VAL 67 7.791 -2.781 8.197 529 HB VAL 67 HB VAL 67 5.024 -2.722 9.394 530 1HG1 VAL 67 1HG1 VAL 67 6.840 -3.322 10.907 531 2HG1 VAL 67 2HG1 VAL 67 6.147 -1.756 11.330 532 3HG1 VAL 67 3HG1 VAL 67 7.692 -1.836 10.482 533 1HG2 VAL 67 1HG2 VAL 67 5.224 -0.286 9.581 534 2HG2 VAL 67 2HG2 VAL 67 5.182 -0.813 7.899 535 3HG2 VAL 67 3HG2 VAL 67 6.713 -0.341 8.636 536 H GLU 68 H GLU 68 5.953 -4.777 6.614 537 HA GLU 68 HA GLU 68 5.368 -6.965 6.604 538 1HB GLU 68 2HB GLU 68 7.648 -7.124 8.577 539 2HB GLU 68 1HB GLU 68 6.850 -8.529 7.886 540 1HG GLU 68 2HG GLU 68 7.559 -7.870 5.664 541 2HG GLU 68 1HG GLU 68 8.296 -6.405 6.315
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