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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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9024 |
1n91 ![]() ![]() |
5596 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 15.754 -7.885 10.514 2 1HB MET 1 2HB MET 1 17.318 -6.739 8.204 3 2HB MET 1 1HB MET 1 16.941 -8.425 8.558 4 1HG MET 1 2HG MET 1 14.447 -7.630 8.252 5 2HG MET 1 1HG MET 1 15.185 -6.304 7.355 6 1HE MET 1 1HE MET 1 13.812 -8.517 4.568 7 2HE MET 1 2HE MET 1 14.403 -6.872 4.786 8 3HE MET 1 3HE MET 1 13.289 -7.562 5.964 9 H ASP 2 H ASP 2 17.645 -4.986 9.621 10 HA ASP 2 HA ASP 2 19.461 -5.585 11.878 11 1HB ASP 2 2HB ASP 2 20.168 -4.553 9.121 12 2HB ASP 2 1HB ASP 2 21.284 -4.567 10.484 13 H GLY 3 H GLY 3 20.208 -2.839 10.003 14 1HA GLY 3 2HA GLY 3 18.695 -1.050 11.802 15 2HA GLY 3 1HA GLY 3 20.434 -0.848 11.613 16 H VAL 4 H VAL 4 17.316 -0.594 10.034 17 HA VAL 4 HA VAL 4 18.394 1.427 8.223 18 HB VAL 4 HB VAL 4 17.234 0.356 6.260 19 1HG1 VAL 4 1HG1 VAL 4 19.742 0.180 6.864 20 2HG1 VAL 4 2HG1 VAL 4 19.104 -0.978 5.698 21 3HG1 VAL 4 3HG1 VAL 4 19.368 -1.466 7.372 22 1HG2 VAL 4 1HG2 VAL 4 16.940 -1.844 8.304 23 2HG2 VAL 4 2HG2 VAL 4 17.040 -2.226 6.586 24 3HG2 VAL 4 3HG2 VAL 4 15.734 -1.206 7.189 25 H MET 5 H MET 5 15.541 -0.462 9.186 26 HA MET 5 HA MET 5 13.351 0.131 9.543 27 1HB MET 5 2HB MET 5 14.972 2.140 10.736 28 2HB MET 5 1HB MET 5 13.599 2.945 9.972 29 1HG MET 5 2HG MET 5 12.026 1.629 11.196 30 2HG MET 5 1HG MET 5 13.276 0.515 11.742 31 1HE MET 5 1HE MET 5 14.082 0.693 14.250 32 2HE MET 5 2HE MET 5 15.123 2.094 14.492 33 3HE MET 5 3HE MET 5 15.265 1.144 13.015 34 H SER 6 H SER 6 12.577 -0.146 7.415 35 HA SER 6 HA SER 6 12.184 2.374 5.975 36 1HB SER 6 2HB SER 6 12.261 1.039 3.866 37 2HB SER 6 1HB SER 6 13.796 1.043 4.728 38 HG SER 6 HG SER 6 12.394 -1.039 3.984 39 H ALA 7 H ALA 7 10.490 1.531 4.102 40 HA ALA 7 HA ALA 7 8.441 -0.130 4.285 41 1HB ALA 7 1HB ALA 7 8.198 1.852 6.516 42 2HB ALA 7 2HB ALA 7 7.794 0.134 6.498 43 3HB ALA 7 3HB ALA 7 6.737 1.299 5.698 44 H VAL 8 H VAL 8 9.408 3.184 4.037 45 HA VAL 8 HA VAL 8 7.922 3.501 1.597 46 HB VAL 8 HB VAL 8 6.080 4.170 2.880 47 1HG1 VAL 8 1HG1 VAL 8 8.137 5.297 4.783 48 2HG1 VAL 8 2HG1 VAL 8 6.925 4.053 5.089 49 3HG1 VAL 8 3HG1 VAL 8 6.433 5.735 4.900 50 1HG2 VAL 8 1HG2 VAL 8 5.817 6.489 2.497 51 2HG2 VAL 8 2HG2 VAL 8 7.028 6.017 1.309 52 3HG2 VAL 8 3HG2 VAL 8 7.520 6.826 2.796 53 H THR 9 H THR 9 8.564 5.292 0.381 54 HA THR 9 HA THR 9 10.828 6.867 1.408 55 HB THR 9 HB THR 9 10.792 4.980 -0.917 56 HG1 THR 9 HG1 THR 9 11.858 4.342 0.915 57 1HG2 THR 9 1HG2 THR 9 12.921 6.250 -1.669 58 2HG2 THR 9 2HG2 THR 9 12.274 7.607 -0.748 59 3HG2 THR 9 3HG2 THR 9 11.361 6.948 -2.106 60 H VAL 10 H VAL 10 10.817 8.948 0.730 61 HA VAL 10 HA VAL 10 8.649 9.769 -1.075 62 HB VAL 10 HB VAL 10 8.941 12.008 -0.109 63 1HG1 VAL 10 1HG1 VAL 10 8.622 9.679 1.790 64 2HG1 VAL 10 2HG1 VAL 10 7.363 10.673 1.058 65 3HG1 VAL 10 3HG1 VAL 10 8.397 11.347 2.317 66 1HG2 VAL 10 1HG2 VAL 10 11.128 12.360 0.531 67 2HG2 VAL 10 2HG2 VAL 10 11.348 10.698 1.078 68 3HG2 VAL 10 3HG2 VAL 10 10.487 11.854 2.092 69 H ASN 11 H ASN 11 9.448 9.595 -3.093 70 HA ASN 11 HA ASN 11 12.135 10.415 -3.775 71 1HB ASN 11 2HB ASN 11 9.849 9.724 -5.636 72 2HB ASN 11 1HB ASN 11 11.570 9.729 -6.017 73 1HD2 ASN 11 1HD2 ASN 11 9.022 7.708 -5.054 74 2HD2 ASN 11 2HD2 ASN 11 9.948 6.412 -4.467 75 H ASP 12 H ASP 12 11.357 11.505 -6.373 76 HA ASP 12 HA ASP 12 10.627 14.242 -5.514 77 1HB ASP 12 2HB ASP 12 12.142 13.320 -7.972 78 2HB ASP 12 1HB ASP 12 11.806 14.994 -7.536 79 H ASP 13 H ASP 13 9.230 11.610 -6.614 80 HA ASP 13 HA ASP 13 7.516 13.005 -8.583 81 1HB ASP 13 2HB ASP 13 8.849 11.116 -9.493 82 2HB ASP 13 1HB ASP 13 8.089 10.044 -8.321 83 H GLY 14 H GLY 14 7.696 11.180 -5.637 84 1HA GLY 14 2HA GLY 14 5.266 11.984 -4.593 85 2HA GLY 14 1HA GLY 14 4.937 10.473 -5.433 86 H LEU 15 H LEU 15 4.847 8.854 -4.006 87 HA LEU 15 HA LEU 15 7.100 8.449 -2.197 88 1HB LEU 15 2HB LEU 15 5.707 8.146 -0.226 89 2HB LEU 15 1HB LEU 15 5.490 9.767 -0.871 90 HG LEU 15 HG LEU 15 3.625 7.581 -1.741 91 1HD1 LEU 15 1HD1 LEU 15 2.201 8.628 0.258 92 2HD1 LEU 15 2HD1 LEU 15 3.803 8.872 0.953 93 3HD1 LEU 15 3HD1 LEU 15 3.267 7.248 0.521 94 1HD2 LEU 15 1HD2 LEU 15 3.439 10.582 -1.325 95 2HD2 LEU 15 2HD2 LEU 15 2.067 9.570 -1.773 96 3HD2 LEU 15 3HD2 LEU 15 3.441 9.726 -2.865 97 H VAL 16 H VAL 16 7.344 6.322 -1.463 98 HA VAL 16 HA VAL 16 5.842 4.327 -3.040 99 HB VAL 16 HB VAL 16 8.563 4.106 -1.719 100 1HG1 VAL 16 1HG1 VAL 16 6.943 2.223 -3.455 101 2HG1 VAL 16 2HG1 VAL 16 7.580 1.921 -1.838 102 3HG1 VAL 16 3HG1 VAL 16 8.679 2.042 -3.211 103 1HG2 VAL 16 1HG2 VAL 16 7.984 4.158 -4.682 104 2HG2 VAL 16 2HG2 VAL 16 9.519 4.430 -3.857 105 3HG2 VAL 16 3HG2 VAL 16 8.248 5.651 -3.783 106 H LEU 17 H LEU 17 4.818 2.649 -2.034 107 HA LEU 17 HA LEU 17 4.871 2.637 0.921 108 1HB LEU 17 2HB LEU 17 2.663 2.838 -0.927 109 2HB LEU 17 1HB LEU 17 2.512 1.359 0.018 110 HG LEU 17 HG LEU 17 1.411 3.289 1.128 111 1HD1 LEU 17 1HD1 LEU 17 3.817 2.697 2.813 112 2HD1 LEU 17 2HD1 LEU 17 2.784 1.354 2.322 113 3HD1 LEU 17 3HD1 LEU 17 2.109 2.690 3.254 114 1HD2 LEU 17 1HD2 LEU 17 4.058 4.494 1.793 115 2HD2 LEU 17 2HD2 LEU 17 2.487 5.269 1.601 116 3HD2 LEU 17 3HD2 LEU 17 3.420 4.808 0.179 117 H ARG 18 H ARG 18 6.249 1.043 1.401 118 HA ARG 18 HA ARG 18 5.948 -1.545 0.021 119 1HB ARG 18 2HB ARG 18 8.221 0.022 0.800 120 2HB ARG 18 1HB ARG 18 8.279 -1.538 1.618 121 1HG ARG 18 2HG ARG 18 8.037 -2.704 -0.504 122 2HG ARG 18 1HG ARG 18 7.810 -1.173 -1.350 123 1HD ARG 18 2HD ARG 18 10.313 -1.925 0.186 124 2HD ARG 18 1HD ARG 18 10.137 -2.074 -1.559 125 HE ARG 18 HE ARG 18 9.490 0.555 -0.952 126 1HH1 ARG 18 1HH1 ARG 18 11.525 0.522 1.157 127 2HH1 ARG 18 2HH1 ARG 18 13.000 0.852 0.312 128 1HH2 ARG 18 1HH2 ARG 18 11.699 0.078 -2.807 129 2HH2 ARG 18 2HH2 ARG 18 13.099 0.603 -1.932 130 H LEU 19 H LEU 19 4.660 -2.894 1.079 131 HA LEU 19 HA LEU 19 5.162 -3.352 3.932 132 1HB LEU 19 2HB LEU 19 2.823 -3.292 4.523 133 2HB LEU 19 1HB LEU 19 3.248 -1.758 3.774 134 HG LEU 19 HG LEU 19 2.438 -2.980 1.562 135 1HD1 LEU 19 1HD1 LEU 19 1.351 -4.639 3.812 136 2HD1 LEU 19 2HD1 LEU 19 1.844 -5.135 2.194 137 3HD1 LEU 19 3HD1 LEU 19 0.295 -4.326 2.431 138 1HD2 LEU 19 1HD2 LEU 19 0.184 -2.050 1.969 139 2HD2 LEU 19 2HD2 LEU 19 1.431 -0.953 2.564 140 3HD2 LEU 19 3HD2 LEU 19 0.531 -1.963 3.696 141 H TYR 20 H TYR 20 3.581 -5.250 4.611 142 HA TYR 20 HA TYR 20 3.974 -7.409 2.626 143 1HB TYR 20 2HB TYR 20 5.244 -7.509 4.819 144 2HB TYR 20 1HB TYR 20 3.689 -7.669 5.623 145 HD1 TYR 20 HD1 TYR 20 2.728 -9.768 5.906 146 HD2 TYR 20 HD2 TYR 20 5.743 -9.220 2.895 147 HE1 TYR 20 HE1 TYR 20 2.748 -12.206 5.491 148 HE2 TYR 20 HE2 TYR 20 5.760 -11.664 2.471 149 HH TYR 20 HH TYR 20 3.804 -13.881 4.448 150 H ILE 21 H ILE 21 2.059 -7.647 1.593 151 HA ILE 21 HA ILE 21 -0.473 -7.167 2.830 152 HB ILE 21 HB ILE 21 0.299 -8.506 0.230 153 1HG1 ILE 21 2HG1 ILE 21 0.644 -5.958 0.736 154 2HG1 ILE 21 1HG1 ILE 21 -0.124 -6.429 -0.777 155 1HG2 ILE 21 1HG2 ILE 21 -2.375 -8.024 1.515 156 2HG2 ILE 21 2HG2 ILE 21 -1.807 -9.431 0.617 157 3HG2 ILE 21 3HG2 ILE 21 -2.225 -7.948 -0.241 158 1HD1 ILE 21 1HD1 ILE 21 -1.730 -5.809 1.709 159 2HD1 ILE 21 2HD1 ILE 21 -2.300 -5.908 0.044 160 3HD1 ILE 21 3HD1 ILE 21 -1.278 -4.562 0.547 161 H GLN 22 H GLN 22 -1.844 -8.525 3.805 162 HA GLN 22 HA GLN 22 -1.143 -11.398 3.911 163 1HB GLN 22 2HB GLN 22 -1.322 -9.490 6.056 164 2HB GLN 22 1HB GLN 22 -2.597 -10.692 6.247 165 1HG GLN 22 2HG GLN 22 0.338 -11.318 5.813 166 2HG GLN 22 1HG GLN 22 -0.497 -11.389 7.363 167 1HE2 GLN 22 1HE2 GLN 22 0.240 -13.186 4.518 168 2HE2 GLN 22 2HE2 GLN 22 -0.781 -14.507 4.826 169 HA PRO 23 HA PRO 23 -5.403 -10.972 2.281 170 1HB PRO 23 2HB PRO 23 -4.925 -13.325 0.691 171 2HB PRO 23 1HB PRO 23 -5.127 -11.654 0.147 172 1HG PRO 23 2HG PRO 23 -2.780 -13.121 0.040 173 2HG PRO 23 1HG PRO 23 -2.914 -11.361 -0.094 174 1HD PRO 23 2HD PRO 23 -2.026 -13.011 2.219 175 2HD PRO 23 1HD PRO 23 -1.586 -11.347 1.779 176 H LYS 24 H LYS 24 -7.252 -12.399 2.370 177 HA LYS 24 HA LYS 24 -8.613 -13.941 3.363 178 1HB LYS 24 2HB LYS 24 -6.022 -15.451 3.250 179 2HB LYS 24 1HB LYS 24 -7.375 -16.117 4.158 180 1HG LYS 24 2HG LYS 24 -7.802 -17.015 2.062 181 2HG LYS 24 1HG LYS 24 -8.735 -15.524 1.967 182 1HD LYS 24 2HD LYS 24 -7.371 -15.830 -0.060 183 2HD LYS 24 1HD LYS 24 -6.853 -14.404 0.834 184 1HE LYS 24 2HE LYS 24 -5.061 -16.129 -0.048 185 2HE LYS 24 1HE LYS 24 -4.870 -15.400 1.544 186 1HZ LYS 24 1HZ LYS 24 -6.176 -18.018 1.034 187 2HZ LYS 24 2HZ LYS 24 -5.841 -17.329 2.551 188 3HZ LYS 24 3HZ LYS 24 -4.569 -17.828 1.542 189 H ALA 25 H ALA 25 -7.883 -11.828 4.905 190 HA ALA 25 HA ALA 25 -7.083 -12.856 7.520 191 1HB ALA 25 1HB ALA 25 -6.523 -10.512 6.263 192 2HB ALA 25 2HB ALA 25 -6.526 -10.701 8.019 193 3HB ALA 25 3HB ALA 25 -7.938 -10.032 7.202 194 H SER 26 H SER 26 -9.569 -10.604 6.435 195 HA SER 26 HA SER 26 -11.916 -11.859 6.842 196 1HB SER 26 2HB SER 26 -10.613 -11.323 9.460 197 2HB SER 26 1HB SER 26 -12.317 -10.903 9.336 198 HG SER 26 HG SER 26 -12.709 -13.031 8.616 199 H ARG 27 H ARG 27 -9.935 -9.099 7.256 200 HA ARG 27 HA ARG 27 -11.804 -7.334 6.025 201 1HB ARG 27 2HB ARG 27 -11.876 -5.762 8.083 202 2HB ARG 27 1HB ARG 27 -12.968 -7.147 8.067 203 1HG ARG 27 2HG ARG 27 -11.522 -8.410 9.519 204 2HG ARG 27 1HG ARG 27 -10.234 -7.216 9.369 205 1HD ARG 27 2HD ARG 27 -12.908 -6.345 10.406 206 2HD ARG 27 1HD ARG 27 -11.813 -7.208 11.483 207 HE ARG 27 HE ARG 27 -10.797 -4.852 10.036 208 1HH1 ARG 27 1HH1 ARG 27 -12.668 -4.088 12.279 209 2HH1 ARG 27 2HH1 ARG 27 -11.581 -3.922 13.617 210 1HH2 ARG 27 1HH2 ARG 27 -8.994 -5.635 12.070 211 2HH2 ARG 27 2HH2 ARG 27 -9.500 -4.797 13.499 212 H ASP 28 H ASP 28 -10.750 -5.532 5.248 213 HA ASP 28 HA ASP 28 -7.919 -5.510 5.230 214 1HB ASP 28 2HB ASP 28 -9.382 -3.002 4.677 215 2HB ASP 28 1HB ASP 28 -8.073 -3.755 3.782 216 H SER 29 H SER 29 -7.322 -5.533 7.374 217 HA SER 29 HA SER 29 -7.481 -2.914 8.730 218 1HB SER 29 2HB SER 29 -8.312 -5.549 9.715 219 2HB SER 29 1HB SER 29 -7.243 -4.683 10.814 220 HG SER 29 HG SER 29 -9.057 -3.007 9.747 221 H ILE 30 H ILE 30 -5.629 -2.103 9.450 222 HA ILE 30 HA ILE 30 -3.163 -3.609 9.001 223 HB ILE 30 HB ILE 30 -2.433 -1.122 9.999 224 1HG1 ILE 30 2HG1 ILE 30 -4.978 -0.881 8.357 225 2HG1 ILE 30 1HG1 ILE 30 -4.700 -0.262 9.987 226 1HG2 ILE 30 1HG2 ILE 30 -1.696 -0.703 7.777 227 2HG2 ILE 30 2HG2 ILE 30 -2.995 -1.671 7.081 228 3HG2 ILE 30 3HG2 ILE 30 -1.672 -2.458 7.943 229 1HD1 ILE 30 1HD1 ILE 30 -2.670 0.971 8.721 230 2HD1 ILE 30 2HD1 ILE 30 -4.285 1.672 8.803 231 3HD1 ILE 30 3HD1 ILE 30 -3.775 0.802 7.354 232 H VAL 31 H VAL 31 -3.334 -5.108 10.673 233 HA VAL 31 HA VAL 31 -3.120 -4.041 13.417 234 HB VAL 31 HB VAL 31 -3.771 -6.911 12.924 235 1HG1 VAL 31 1HG1 VAL 31 -3.475 -5.676 15.190 236 2HG1 VAL 31 2HG1 VAL 31 -4.881 -6.720 14.994 237 3HG1 VAL 31 3HG1 VAL 31 -5.054 -4.971 14.845 238 1HG2 VAL 31 1HG2 VAL 31 -6.227 -6.187 12.821 239 2HG2 VAL 31 2HG2 VAL 31 -5.287 -5.940 11.349 240 3HG2 VAL 31 3HG2 VAL 31 -5.634 -4.577 12.414 241 H GLY 32 H GLY 32 -0.943 -4.631 11.285 242 1HA GLY 32 2HA GLY 32 0.815 -6.113 13.124 243 2HA GLY 32 1HA GLY 32 0.653 -6.688 11.467 244 H LEU 33 H LEU 33 0.593 -3.373 12.525 245 HA LEU 33 HA LEU 33 2.567 -2.581 10.613 246 1HB LEU 33 2HB LEU 33 1.181 -1.166 12.889 247 2HB LEU 33 1HB LEU 33 2.279 -0.359 11.766 248 HG LEU 33 HG LEU 33 -0.362 -1.702 11.157 249 1HD1 LEU 33 1HD1 LEU 33 -0.898 0.519 10.225 250 2HD1 LEU 33 2HD1 LEU 33 0.717 1.088 10.649 251 3HD1 LEU 33 3HD1 LEU 33 -0.423 0.646 11.919 252 1HD2 LEU 33 1HD2 LEU 33 0.314 -0.878 8.747 253 2HD2 LEU 33 2HD2 LEU 33 0.908 -2.435 9.332 254 3HD2 LEU 33 3HD2 LEU 33 1.958 -1.017 9.371 255 H HIS 34 H HIS 34 4.700 -2.773 10.863 256 HA HIS 34 HA HIS 34 5.753 -3.076 13.590 257 1HB HIS 34 2HB HIS 34 6.231 -4.869 11.935 258 2HB HIS 34 1HB HIS 34 7.111 -3.697 10.965 259 HD1 HIS 34 HD1 HIS 34 9.561 -3.710 11.423 260 HD2 HIS 34 HD2 HIS 34 7.381 -4.796 14.803 261 HE1 HIS 34 HE1 HIS 34 11.256 -4.221 13.234 262 H GLY 35 H GLY 35 7.773 -2.045 14.167 263 1HA GLY 35 2HA GLY 35 7.802 0.733 13.523 264 2HA GLY 35 1HA GLY 35 9.000 -0.118 14.496 265 H ASP 36 H ASP 36 9.233 -2.042 12.110 266 HA ASP 36 HA ASP 36 11.010 -0.344 10.462 267 1HB ASP 36 2HB ASP 36 11.380 -3.274 11.137 268 2HB ASP 36 1HB ASP 36 12.468 -2.278 10.178 269 H GLU 37 H GLU 37 8.379 -2.546 10.558 270 HA GLU 37 HA GLU 37 8.298 -2.574 7.601 271 1HB GLU 37 2HB GLU 37 7.303 -4.950 9.130 272 2HB GLU 37 1HB GLU 37 7.869 -4.853 7.465 273 1HG GLU 37 2HG GLU 37 9.647 -4.558 9.905 274 2HG GLU 37 1HG GLU 37 9.466 -6.041 8.979 275 H VAL 38 H VAL 38 5.989 -3.676 7.062 276 HA VAL 38 HA VAL 38 3.903 -2.588 8.796 277 HB VAL 38 HB VAL 38 4.323 -1.817 5.905 278 1HG1 VAL 38 1HG1 VAL 38 1.861 -2.322 7.274 279 2HG1 VAL 38 2HG1 VAL 38 2.090 -1.655 5.657 280 3HG1 VAL 38 3HG1 VAL 38 2.013 -0.579 7.050 281 1HG2 VAL 38 1HG2 VAL 38 4.102 -0.278 8.505 282 2HG2 VAL 38 2HG2 VAL 38 4.020 0.490 6.920 283 3HG2 VAL 38 3HG2 VAL 38 5.488 -0.351 7.415 284 H LYS 39 H LYS 39 2.436 -4.146 9.048 285 HA LYS 39 HA LYS 39 2.074 -6.074 6.836 286 1HB LYS 39 2HB LYS 39 3.103 -6.652 9.312 287 2HB LYS 39 1HB LYS 39 1.390 -7.022 9.533 288 1HG LYS 39 2HG LYS 39 1.705 -8.170 7.150 289 2HG LYS 39 1HG LYS 39 3.380 -8.265 7.686 290 1HD LYS 39 2HD LYS 39 2.142 -10.308 8.306 291 2HD LYS 39 1HD LYS 39 2.664 -9.433 9.740 292 1HE LYS 39 2HE LYS 39 0.176 -10.323 9.546 293 2HE LYS 39 1HE LYS 39 0.504 -8.756 10.284 294 1HZ LYS 39 1HZ LYS 39 -1.273 -9.003 8.412 295 2HZ LYS 39 2HZ LYS 39 0.075 -8.896 7.383 296 3HZ LYS 39 3HZ LYS 39 -0.271 -7.636 8.469 297 H VAL 40 H VAL 40 0.169 -5.766 5.905 298 HA VAL 40 HA VAL 40 -2.139 -5.021 7.608 299 HB VAL 40 HB VAL 40 -1.482 -3.323 5.875 300 1HG1 VAL 40 1HG1 VAL 40 -2.552 -5.238 3.814 301 2HG1 VAL 40 2HG1 VAL 40 -0.839 -5.264 4.233 302 3HG1 VAL 40 3HG1 VAL 40 -1.565 -3.795 3.581 303 1HG2 VAL 40 1HG2 VAL 40 -3.737 -2.906 5.176 304 2HG2 VAL 40 2HG2 VAL 40 -3.857 -3.716 6.737 305 3HG2 VAL 40 3HG2 VAL 40 -4.148 -4.620 5.252 306 H ALA 41 H ALA 41 -4.020 -6.184 7.411 307 HA ALA 41 HA ALA 41 -3.794 -8.668 5.840 308 1HB ALA 41 1HB ALA 41 -5.976 -8.644 7.746 309 2HB ALA 41 2HB ALA 41 -4.438 -8.290 8.536 310 3HB ALA 41 3HB ALA 41 -4.631 -9.774 7.599 311 H ILE 42 H ILE 42 -4.764 -8.407 3.933 312 HA ILE 42 HA ILE 42 -7.220 -6.811 3.752 313 HB ILE 42 HB ILE 42 -5.375 -6.497 2.077 314 1HG1 ILE 42 2HG1 ILE 42 -7.069 -7.154 0.053 315 2HG1 ILE 42 1HG1 ILE 42 -8.185 -7.218 1.416 316 1HG2 ILE 42 1HG2 ILE 42 -6.175 -9.266 1.126 317 2HG2 ILE 42 2HG2 ILE 42 -4.701 -8.915 2.030 318 3HG2 ILE 42 3HG2 ILE 42 -4.938 -8.219 0.428 319 1HD1 ILE 42 1HD1 ILE 42 -7.200 -4.935 2.098 320 2HD1 ILE 42 2HD1 ILE 42 -8.268 -4.962 0.696 321 3HD1 ILE 42 3HD1 ILE 42 -6.521 -4.883 0.472 322 H THR 43 H THR 43 -9.167 -7.701 3.009 323 HA THR 43 HA THR 43 -9.444 -10.564 3.593 324 HB THR 43 HB THR 43 -10.929 -8.922 4.728 325 HG1 THR 43 HG1 THR 43 -11.762 -10.928 4.568 326 1HG2 THR 43 1HG2 THR 43 -12.299 -7.469 3.607 327 2HG2 THR 43 2HG2 THR 43 -12.541 -8.575 2.255 328 3HG2 THR 43 3HG2 THR 43 -11.060 -7.625 2.365 329 H ALA 44 H ALA 44 -8.172 -9.908 1.170 330 HA ALA 44 HA ALA 44 -10.194 -10.462 -0.888 331 1HB ALA 44 1HB ALA 44 -7.275 -9.775 -1.258 332 2HB ALA 44 2HB ALA 44 -8.570 -8.578 -1.204 333 3HB ALA 44 3HB ALA 44 -8.535 -9.784 -2.493 334 HA PRO 45 HA PRO 45 -9.258 -14.747 -1.204 335 1HB PRO 45 2HB PRO 45 -9.224 -14.701 -4.090 336 2HB PRO 45 1HB PRO 45 -10.498 -15.298 -3.015 337 1HG PRO 45 2HG PRO 45 -10.387 -12.868 -4.533 338 2HG PRO 45 1HG PRO 45 -11.731 -13.540 -3.610 339 1HD PRO 45 2HD PRO 45 -10.250 -11.253 -2.936 340 2HD PRO 45 1HD PRO 45 -11.357 -12.135 -1.866 341 HA PRO 46 HA PRO 46 -4.993 -15.303 -2.186 342 1HB PRO 46 2HB PRO 46 -5.238 -17.833 -3.545 343 2HB PRO 46 1HB PRO 46 -4.804 -17.530 -1.857 344 1HG PRO 46 2HG PRO 46 -7.136 -18.720 -2.721 345 2HG PRO 46 1HG PRO 46 -6.883 -17.989 -1.130 346 1HD PRO 46 2HD PRO 46 -8.342 -16.896 -3.493 347 2HD PRO 46 1HD PRO 46 -8.637 -16.637 -1.758 348 H VAL 47 H VAL 47 -7.046 -14.687 -4.696 349 HA VAL 47 HA VAL 47 -4.989 -15.059 -6.779 350 HB VAL 47 HB VAL 47 -7.262 -15.970 -7.227 351 1HG1 VAL 47 1HG1 VAL 47 -8.413 -14.079 -5.947 352 2HG1 VAL 47 2HG1 VAL 47 -9.149 -14.538 -7.482 353 3HG1 VAL 47 3HG1 VAL 47 -8.153 -13.086 -7.380 354 1HG2 VAL 47 1HG2 VAL 47 -5.829 -15.309 -9.100 355 2HG2 VAL 47 2HG2 VAL 47 -6.385 -13.641 -8.966 356 3HG2 VAL 47 3HG2 VAL 47 -7.507 -14.905 -9.467 357 H ASP 48 H ASP 48 -4.203 -13.347 -7.985 358 HA ASP 48 HA ASP 48 -3.982 -10.840 -6.710 359 1HB ASP 48 2HB ASP 48 -3.555 -11.171 -9.666 360 2HB ASP 48 1HB ASP 48 -2.675 -10.159 -8.525 361 H GLY 49 H GLY 49 -5.627 -11.570 -9.806 362 1HA GLY 49 2HA GLY 49 -6.795 -9.301 -10.522 363 2HA GLY 49 1HA GLY 49 -7.729 -10.792 -10.510 364 H GLN 50 H GLN 50 -7.963 -11.227 -7.770 365 HA GLN 50 HA GLN 50 -10.009 -9.283 -7.107 366 1HB GLN 50 2HB GLN 50 -9.090 -11.881 -5.868 367 2HB GLN 50 1HB GLN 50 -10.258 -10.830 -5.069 368 1HG GLN 50 2HG GLN 50 -11.194 -12.692 -6.599 369 2HG GLN 50 1HG GLN 50 -11.854 -11.072 -6.793 370 1HE2 GLN 50 1HE2 GLN 50 -11.082 -9.801 -8.700 371 2HE2 GLN 50 2HE2 GLN 50 -10.433 -10.610 -10.044 372 H ALA 51 H ALA 51 -6.874 -10.303 -5.759 373 HA ALA 51 HA ALA 51 -6.976 -8.572 -3.488 374 1HB ALA 51 1HB ALA 51 -4.534 -9.692 -4.888 375 2HB ALA 51 2HB ALA 51 -5.464 -10.547 -3.657 376 3HB ALA 51 3HB ALA 51 -4.606 -9.063 -3.242 377 H ASN 52 H ASN 52 -5.224 -8.355 -6.571 378 HA ASN 52 HA ASN 52 -4.064 -5.869 -6.345 379 1HB ASN 52 2HB ASN 52 -3.679 -7.390 -8.241 380 2HB ASN 52 1HB ASN 52 -5.320 -7.107 -8.813 381 1HD2 ASN 52 1HD2 ASN 52 -2.089 -5.940 -8.966 382 2HD2 ASN 52 2HD2 ASN 52 -2.417 -4.479 -9.765 383 H SER 53 H SER 53 -7.380 -6.657 -7.414 384 HA SER 53 HA SER 53 -8.241 -4.083 -8.079 385 1HB SER 53 2HB SER 53 -9.765 -6.397 -6.863 386 2HB SER 53 1HB SER 53 -10.534 -4.918 -7.428 387 HG SER 53 HG SER 53 -9.127 -5.489 -9.416 388 H HIS 54 H HIS 54 -8.213 -5.738 -4.938 389 HA HIS 54 HA HIS 54 -9.385 -3.606 -3.454 390 1HB HIS 54 2HB HIS 54 -7.847 -6.084 -2.777 391 2HB HIS 54 1HB HIS 54 -8.044 -4.843 -1.541 392 HD1 HIS 54 HD1 HIS 54 -10.763 -5.374 -4.059 393 HD2 HIS 54 HD2 HIS 54 -9.924 -6.458 -0.120 394 HE1 HIS 54 HE1 HIS 54 -12.909 -6.323 -3.106 395 H LEU 55 H LEU 55 -6.047 -4.585 -4.129 396 HA LEU 55 HA LEU 55 -4.680 -2.801 -2.488 397 1HB LEU 55 2HB LEU 55 -3.942 -4.686 -4.302 398 2HB LEU 55 1HB LEU 55 -3.528 -3.217 -5.183 399 HG LEU 55 HG LEU 55 -2.398 -2.464 -2.967 400 1HD1 LEU 55 1HD1 LEU 55 -3.081 -4.033 -1.372 401 2HD1 LEU 55 2HD1 LEU 55 -1.492 -4.649 -1.824 402 3HD1 LEU 55 3HD1 LEU 55 -2.946 -5.384 -2.498 403 1HD2 LEU 55 1HD2 LEU 55 -1.390 -4.634 -4.812 404 2HD2 LEU 55 2HD2 LEU 55 -0.362 -3.947 -3.555 405 3HD2 LEU 55 3HD2 LEU 55 -1.002 -2.914 -4.833 406 H VAL 56 H VAL 56 -5.361 -2.349 -5.965 407 HA VAL 56 HA VAL 56 -4.574 0.337 -6.090 408 HB VAL 56 HB VAL 56 -5.271 -1.455 -7.949 409 1HG1 VAL 56 1HG1 VAL 56 -7.709 -1.235 -7.196 410 2HG1 VAL 56 2HG1 VAL 56 -7.407 -1.051 -8.922 411 3HG1 VAL 56 3HG1 VAL 56 -7.680 0.373 -7.919 412 1HG2 VAL 56 1HG2 VAL 56 -5.397 0.462 -9.554 413 2HG2 VAL 56 2HG2 VAL 56 -4.066 0.611 -8.406 414 3HG2 VAL 56 3HG2 VAL 56 -5.536 1.559 -8.180 415 H LYS 57 H LYS 57 -7.431 -1.136 -4.823 416 HA LYS 57 HA LYS 57 -9.064 1.250 -4.902 417 1HB LYS 57 2HB LYS 57 -9.913 -1.168 -4.888 418 2HB LYS 57 1HB LYS 57 -9.546 -1.166 -3.163 419 1HG LYS 57 2HG LYS 57 -10.960 0.919 -2.957 420 2HG LYS 57 1HG LYS 57 -11.451 0.674 -4.634 421 1HD LYS 57 2HD LYS 57 -12.130 -1.703 -3.903 422 2HD LYS 57 1HD LYS 57 -11.990 -1.104 -2.250 423 1HE LYS 57 2HE LYS 57 -14.290 -0.831 -2.902 424 2HE LYS 57 1HE LYS 57 -13.563 0.775 -2.905 425 1HZ LYS 57 1HZ LYS 57 -13.991 -0.967 -5.271 426 2HZ LYS 57 2HZ LYS 57 -13.196 0.534 -5.302 427 3HZ LYS 57 3HZ LYS 57 -14.845 0.450 -4.898 428 H PHE 58 H PHE 58 -7.869 -0.693 -2.140 429 HA PHE 58 HA PHE 58 -8.342 0.918 -0.043 430 1HB PHE 58 2HB PHE 58 -6.848 -1.273 -0.293 431 2HB PHE 58 1HB PHE 58 -5.535 -0.101 -0.226 432 HD1 PHE 58 HD1 PHE 58 -8.814 -0.692 1.524 433 HD2 PHE 58 HD2 PHE 58 -4.650 0.302 1.896 434 HE1 PHE 58 HE1 PHE 58 -9.061 -0.566 3.988 435 HE2 PHE 58 HE2 PHE 58 -4.901 0.433 4.356 436 HZ PHE 58 HZ PHE 58 -7.104 -0.002 5.405 437 H LEU 59 H LEU 59 -5.404 1.266 -2.042 438 HA LEU 59 HA LEU 59 -4.595 3.707 -0.805 439 1HB LEU 59 2HB LEU 59 -3.807 2.218 -3.296 440 2HB LEU 59 1HB LEU 59 -3.246 3.871 -3.059 441 HG LEU 59 HG LEU 59 -1.658 2.123 -2.206 442 1HD1 LEU 59 1HD1 LEU 59 -2.142 4.552 -1.220 443 2HD1 LEU 59 2HD1 LEU 59 -0.973 3.465 -0.470 444 3HD1 LEU 59 3HD1 LEU 59 -2.598 3.610 0.200 445 1HD2 LEU 59 1HD2 LEU 59 -3.579 0.633 -1.381 446 2HD2 LEU 59 2HD2 LEU 59 -3.680 1.717 0.007 447 3HD2 LEU 59 3HD2 LEU 59 -2.202 0.804 -0.294 448 H GLY 60 H GLY 60 -5.699 3.185 -4.171 449 1HA GLY 60 2HA GLY 60 -6.096 5.727 -4.993 450 2HA GLY 60 1HA GLY 60 -7.193 4.428 -5.445 451 H LYS 61 H LYS 61 -8.223 3.971 -2.772 452 HA LYS 61 HA LYS 61 -10.186 6.106 -2.707 453 1HB LYS 61 2HB LYS 61 -10.063 3.359 -1.903 454 2HB LYS 61 1HB LYS 61 -10.505 4.329 -0.503 455 1HG LYS 61 2HG LYS 61 -12.548 3.760 -1.617 456 2HG LYS 61 1HG LYS 61 -12.240 5.460 -1.968 457 1HD LYS 61 2HD LYS 61 -11.165 4.738 -4.133 458 2HD LYS 61 1HD LYS 61 -11.699 3.094 -3.785 459 1HE LYS 61 2HE LYS 61 -13.335 4.163 -5.240 460 2HE LYS 61 1HE LYS 61 -14.050 3.930 -3.646 461 1HZ LYS 61 1HZ LYS 61 -12.930 6.438 -4.767 462 2HZ LYS 61 2HZ LYS 61 -13.354 6.252 -3.132 463 3HZ LYS 61 3HZ LYS 61 -14.542 6.129 -4.340 464 H GLN 62 H GLN 62 -8.117 4.613 -0.210 465 HA GLN 62 HA GLN 62 -8.518 6.549 1.769 466 1HB GLN 62 2HB GLN 62 -7.504 4.279 2.095 467 2HB GLN 62 1HB GLN 62 -6.019 4.889 1.368 468 1HG GLN 62 2HG GLN 62 -5.824 5.042 3.780 469 2HG GLN 62 1HG GLN 62 -5.945 6.666 3.111 470 1HE2 GLN 62 1HE2 GLN 62 -7.866 4.115 4.740 471 2HE2 GLN 62 2HE2 GLN 62 -9.036 5.174 5.365 472 H PHE 63 H PHE 63 -6.061 6.375 -0.770 473 HA PHE 63 HA PHE 63 -4.789 8.832 0.111 474 1HB PHE 63 2HB PHE 63 -4.225 6.757 -1.982 475 2HB PHE 63 1HB PHE 63 -3.508 8.358 -2.147 476 HD1 PHE 63 HD1 PHE 63 -4.029 5.670 0.417 477 HD2 PHE 63 HD2 PHE 63 -1.508 8.830 -1.041 478 HE1 PHE 63 HE1 PHE 63 -2.317 5.088 2.114 479 HE2 PHE 63 HE2 PHE 63 0.202 8.245 0.656 480 HZ PHE 63 HZ PHE 63 -0.201 6.376 2.232 481 H ARG 64 H ARG 64 -7.295 7.830 -1.963 482 HA ARG 64 HA ARG 64 -8.704 8.937 -3.374 483 1HB ARG 64 2HB ARG 64 -7.532 11.153 -1.739 484 2HB ARG 64 1HB ARG 64 -8.629 11.498 -3.069 485 1HG ARG 64 2HG ARG 64 -10.266 9.872 -2.052 486 2HG ARG 64 1HG ARG 64 -9.189 9.749 -0.662 487 1HD ARG 64 2HD ARG 64 -10.859 12.068 -1.560 488 2HD ARG 64 1HD ARG 64 -10.653 11.404 0.057 489 HE ARG 64 HE ARG 64 -8.273 12.371 -0.172 490 1HH1 ARG 64 1HH1 ARG 64 -11.291 13.804 -0.977 491 2HH1 ARG 64 2HH1 ARG 64 -10.631 15.374 -1.293 492 1HH2 ARG 64 1HH2 ARG 64 -7.338 14.367 -0.874 493 2HH2 ARG 64 2HH2 ARG 64 -8.394 15.691 -1.239 494 H VAL 65 H VAL 65 -5.482 8.910 -3.861 495 HA VAL 65 HA VAL 65 -5.093 10.916 -5.845 496 HB VAL 65 HB VAL 65 -3.608 8.292 -5.749 497 1HG1 VAL 65 1HG1 VAL 65 -3.293 10.026 -7.641 498 2HG1 VAL 65 2HG1 VAL 65 -1.841 9.496 -6.791 499 3HG1 VAL 65 3HG1 VAL 65 -2.568 11.056 -6.408 500 1HG2 VAL 65 1HG2 VAL 65 -3.877 9.799 -3.524 501 2HG2 VAL 65 2HG2 VAL 65 -2.567 10.681 -4.301 502 3HG2 VAL 65 3HG2 VAL 65 -2.375 8.969 -3.927 503 H ALA 66 H ALA 66 -4.059 8.364 -7.484 504 HA ALA 66 HA ALA 66 -6.560 7.776 -8.898 505 1HB ALA 66 1HB ALA 66 -4.178 9.195 -10.057 506 2HB ALA 66 2HB ALA 66 -5.879 9.649 -10.144 507 3HB ALA 66 3HB ALA 66 -5.285 8.274 -11.076 508 H LYS 67 H LYS 67 -6.277 6.091 -10.556 509 HA LYS 67 HA LYS 67 -4.687 3.921 -9.528 510 1HB LYS 67 2HB LYS 67 -5.608 2.723 -11.576 511 2HB LYS 67 1HB LYS 67 -6.816 3.334 -10.447 512 1HG LYS 67 2HG LYS 67 -7.338 5.191 -11.849 513 2HG LYS 67 1HG LYS 67 -5.906 4.938 -12.847 514 1HD LYS 67 2HD LYS 67 -7.880 2.699 -12.640 515 2HD LYS 67 1HD LYS 67 -8.309 4.088 -13.638 516 1HE LYS 67 2HE LYS 67 -6.413 3.791 -15.047 517 2HE LYS 67 1HE LYS 67 -5.648 2.679 -13.912 518 1HZ LYS 67 1HZ LYS 67 -7.969 1.446 -14.366 519 2HZ LYS 67 2HZ LYS 67 -6.546 1.134 -15.241 520 3HZ LYS 67 3HZ LYS 67 -7.722 2.187 -15.871 521 H SER 68 H SER 68 -4.435 6.312 -12.022 522 HA SER 68 HA SER 68 -2.290 5.021 -13.471 523 1HB SER 68 2HB SER 68 -3.377 6.446 -14.904 524 2HB SER 68 1HB SER 68 -3.801 7.579 -13.626 525 HG SER 68 HG SER 68 -1.493 7.379 -15.178 526 H GLN 69 H GLN 69 -2.603 6.801 -10.610 527 HA GLN 69 HA GLN 69 0.180 7.755 -10.624 528 1HB GLN 69 2HB GLN 69 -2.215 8.266 -8.859 529 2HB GLN 69 1HB GLN 69 -0.590 8.699 -8.344 530 1HG GLN 69 2HG GLN 69 -2.159 10.418 -9.662 531 2HG GLN 69 1HG GLN 69 -0.413 10.415 -9.866 532 1HE2 GLN 69 1HE2 GLN 69 0.311 10.226 -11.990 533 2HE2 GLN 69 2HE2 GLN 69 -0.632 9.671 -13.288 534 H VAL 70 H VAL 70 -1.745 5.160 -9.582 535 HA VAL 70 HA VAL 70 0.030 4.401 -7.390 536 HB VAL 70 HB VAL 70 -2.668 3.469 -8.346 537 1HG1 VAL 70 1HG1 VAL 70 -0.656 1.970 -6.681 538 2HG1 VAL 70 2HG1 VAL 70 -1.715 1.361 -7.951 539 3HG1 VAL 70 3HG1 VAL 70 -2.382 1.773 -6.373 540 1HG2 VAL 70 1HG2 VAL 70 -3.380 4.145 -6.195 541 2HG2 VAL 70 2HG2 VAL 70 -2.208 5.380 -6.651 542 3HG2 VAL 70 3HG2 VAL 70 -1.742 4.093 -5.540 543 H VAL 71 H VAL 71 1.874 3.663 -8.276 544 HA VAL 71 HA VAL 71 1.690 1.585 -10.374 545 HB VAL 71 HB VAL 71 4.306 2.815 -9.632 546 1HG1 VAL 71 1HG1 VAL 71 4.764 2.462 -11.962 547 2HG1 VAL 71 2HG1 VAL 71 3.056 2.226 -12.328 548 3HG1 VAL 71 3HG1 VAL 71 3.934 1.014 -11.395 549 1HG2 VAL 71 1HG2 VAL 71 3.655 4.627 -11.404 550 2HG2 VAL 71 2HG2 VAL 71 3.121 4.846 -9.738 551 3HG2 VAL 71 3HG2 VAL 71 1.996 4.236 -10.951 552 H ILE 72 H ILE 72 1.988 -0.453 -9.799 553 HA ILE 72 HA ILE 72 3.062 -1.166 -7.190 554 HB ILE 72 HB ILE 72 2.048 -2.944 -9.424 555 1HG1 ILE 72 2HG1 ILE 72 0.592 -1.934 -6.959 556 2HG1 ILE 72 1HG1 ILE 72 0.394 -1.240 -8.568 557 1HG2 ILE 72 1HG2 ILE 72 3.469 -4.080 -7.743 558 2HG2 ILE 72 2HG2 ILE 72 1.788 -4.595 -7.606 559 3HG2 ILE 72 3HG2 ILE 72 2.452 -3.437 -6.453 560 1HD1 ILE 72 1HD1 ILE 72 -1.331 -3.006 -7.903 561 2HD1 ILE 72 2HD1 ILE 72 -0.025 -4.186 -8.019 562 3HD1 ILE 72 3HD1 ILE 72 -0.514 -3.267 -9.443 563 H GLU 73 H GLU 73 5.201 -0.752 -7.249 564 HA GLU 73 HA GLU 73 6.946 -1.497 -9.383 565 1HB GLU 73 2HB GLU 73 7.247 -0.372 -6.640 566 2HB GLU 73 1HB GLU 73 8.667 -1.101 -7.391 567 1HG GLU 73 2HG GLU 73 8.652 0.423 -9.188 568 2HG GLU 73 1HG GLU 73 6.973 0.876 -8.912 569 H LYS 74 H LYS 74 5.392 -3.433 -7.129 570 HA LYS 74 HA LYS 74 6.530 -5.820 -7.794 571 1HB LYS 74 2HB LYS 74 8.315 -4.308 -6.057 572 2HB LYS 74 1HB LYS 74 7.839 -5.836 -5.321 573 1HG LYS 74 2HG LYS 74 8.751 -7.113 -7.057 574 2HG LYS 74 1HG LYS 74 8.698 -5.774 -8.203 575 1HD LYS 74 2HD LYS 74 10.490 -4.624 -6.979 576 2HD LYS 74 1HD LYS 74 10.523 -5.921 -5.783 577 1HE LYS 74 2HE LYS 74 12.313 -6.113 -7.547 578 2HE LYS 74 1HE LYS 74 11.259 -7.523 -7.440 579 1HZ LYS 74 1HZ LYS 74 11.582 -6.866 -9.731 580 2HZ LYS 74 2HZ LYS 74 11.011 -5.301 -9.399 581 3HZ LYS 74 3HZ LYS 74 9.963 -6.633 -9.286 582 H GLY 75 H GLY 75 5.509 -7.470 -6.763 583 1HA GLY 75 2HA GLY 75 4.541 -8.264 -4.576 584 2HA GLY 75 1HA GLY 75 3.659 -6.739 -4.575 585 H GLU 76 H GLU 76 3.627 -7.150 -7.643 586 HA GLU 76 HA GLU 76 1.061 -7.694 -8.178 587 1HB GLU 76 2HB GLU 76 3.234 -8.986 -9.828 588 2HB GLU 76 1HB GLU 76 1.666 -8.394 -10.377 589 1HG GLU 76 2HG GLU 76 2.454 -6.087 -9.503 590 2HG GLU 76 1HG GLU 76 4.067 -6.797 -9.487 591 H LEU 77 H LEU 77 3.457 -10.246 -7.498 592 HA LEU 77 HA LEU 77 1.198 -12.138 -7.224 593 1HB LEU 77 2HB LEU 77 3.511 -12.279 -9.009 594 2HB LEU 77 1HB LEU 77 3.316 -13.719 -8.011 595 HG LEU 77 HG LEU 77 0.938 -12.524 -9.424 596 1HD1 LEU 77 1HD1 LEU 77 3.130 -14.236 -10.588 597 2HD1 LEU 77 2HD1 LEU 77 2.364 -12.805 -11.279 598 3HD1 LEU 77 3HD1 LEU 77 1.482 -14.330 -11.209 599 1HD2 LEU 77 1HD2 LEU 77 0.007 -14.692 -9.150 600 2HD2 LEU 77 2HD2 LEU 77 0.850 -14.387 -7.632 601 3HD2 LEU 77 3HD2 LEU 77 1.585 -15.423 -8.855 602 H GLY 78 H GLY 78 3.337 -10.564 -5.462 603 1HA GLY 78 2HA GLY 78 3.935 -12.889 -3.718 604 2HA GLY 78 1HA GLY 78 5.053 -11.545 -3.923 605 H ARG 79 H ARG 79 3.892 -12.510 -1.436 606 HA ARG 79 HA ARG 79 1.747 -10.987 -0.474 607 1HB ARG 79 2HB ARG 79 4.186 -12.106 0.916 608 2HB ARG 79 1HB ARG 79 2.910 -11.255 1.790 609 1HG ARG 79 2HG ARG 79 1.765 -13.197 1.870 610 2HG ARG 79 1HG ARG 79 1.581 -13.103 0.118 611 1HD ARG 79 2HD ARG 79 3.526 -14.417 -0.261 612 2HD ARG 79 1HD ARG 79 4.071 -14.236 1.404 613 HE ARG 79 HE ARG 79 1.524 -15.624 0.956 614 1HH1 ARG 79 1HH2 ARG 79 4.119 -15.470 3.006 615 2HH1 ARG 79 2HH2 ARG 79 4.420 -17.174 3.091 616 1HH2 ARG 79 1HH1 ARG 79 2.242 -17.961 0.513 617 2HH2 ARG 79 2HH1 ARG 79 3.356 -18.583 1.685 618 H HIS 80 H HIS 80 5.060 -10.147 -1.088 619 HA HIS 80 HA HIS 80 5.144 -7.753 0.464 620 1HB HIS 80 2HB HIS 80 6.791 -7.916 -2.003 621 2HB HIS 80 1HB HIS 80 7.269 -7.515 -0.354 622 HD1 HIS 80 HD1 HIS 80 6.675 -10.443 -2.640 623 HD2 HIS 80 HD2 HIS 80 8.033 -9.747 1.239 624 HE1 HIS 80 HE1 HIS 80 7.628 -12.638 -1.811 625 H LYS 81 H LYS 81 5.225 -5.557 -0.477 626 HA LYS 81 HA LYS 81 3.853 -5.201 -3.027 627 1HB LYS 81 2HB LYS 81 1.828 -4.967 -2.065 628 2HB LYS 81 1HB LYS 81 2.520 -5.003 -0.444 629 1HG LYS 81 2HG LYS 81 3.118 -2.615 -0.643 630 2HG LYS 81 1HG LYS 81 2.422 -2.577 -2.264 631 1HD LYS 81 2HD LYS 81 0.219 -3.143 -1.355 632 2HD LYS 81 1HD LYS 81 0.900 -3.266 0.269 633 1HE LYS 81 2HE LYS 81 1.492 -0.920 0.265 634 2HE LYS 81 1HE LYS 81 1.018 -0.757 -1.424 635 1HZ LYS 81 1HZ LYS 81 -0.935 -1.736 0.543 636 2HZ LYS 81 2HZ LYS 81 -1.202 -0.908 -0.916 637 3HZ LYS 81 3HZ LYS 81 -0.619 -0.073 0.444 638 H GLN 82 H GLN 82 4.455 -3.328 -4.018 639 HA GLN 82 HA GLN 82 5.748 -1.250 -2.392 640 1HB GLN 82 2HB GLN 82 7.103 -1.919 -4.962 641 2HB GLN 82 1HB GLN 82 7.771 -1.256 -3.468 642 1HG GLN 82 2HG GLN 82 7.294 -3.560 -2.432 643 2HG GLN 82 1HG GLN 82 7.067 -4.130 -4.083 644 1HE2 GLN 82 1HE2 GLN 82 9.312 -4.539 -1.950 645 2HE2 GLN 82 2HE2 GLN 82 10.733 -4.231 -2.826 646 H ILE 83 H ILE 83 3.623 -0.350 -2.853 647 HA ILE 83 HA ILE 83 3.014 0.376 -5.589 648 HB ILE 83 HB ILE 83 1.721 0.934 -2.917 649 1HG1 ILE 83 2HG1 ILE 83 0.660 -0.444 -5.403 650 2HG1 ILE 83 1HG1 ILE 83 1.471 -1.304 -4.096 651 1HG2 ILE 83 1HG2 ILE 83 -0.134 1.938 -4.447 652 2HG2 ILE 83 2HG2 ILE 83 1.167 2.157 -5.617 653 3HG2 ILE 83 3HG2 ILE 83 1.253 2.948 -4.043 654 1HD1 ILE 83 1HD1 ILE 83 -1.269 -0.462 -4.239 655 2HD1 ILE 83 2HD1 ILE 83 -0.490 0.377 -2.898 656 3HD1 ILE 83 3HD1 ILE 83 -0.471 -1.384 -2.966 657 H LYS 84 H LYS 84 2.944 2.497 -6.387 658 HA LYS 84 HA LYS 84 4.576 4.461 -4.882 659 1HB LYS 84 2HB LYS 84 5.624 3.317 -6.968 660 2HB LYS 84 1HB LYS 84 4.516 4.330 -7.890 661 1HG LYS 84 2HG LYS 84 6.216 5.583 -5.752 662 2HG LYS 84 1HG LYS 84 6.930 5.214 -7.320 663 1HD LYS 84 2HD LYS 84 5.957 7.021 -8.238 664 2HD LYS 84 1HD LYS 84 4.367 6.465 -7.723 665 1HE LYS 84 2HE LYS 84 4.919 8.694 -6.776 666 2HE LYS 84 1HE LYS 84 4.694 7.482 -5.518 667 1HZ LYS 84 1HZ LYS 84 7.375 7.427 -6.313 668 2HZ LYS 84 2HZ LYS 84 6.735 7.884 -4.807 669 3HZ LYS 84 3HZ LYS 84 6.959 9.046 -6.025 670 H ILE 85 H ILE 85 3.480 6.256 -4.415 671 HA ILE 85 HA ILE 85 1.004 6.840 -5.896 672 HB ILE 85 HB ILE 85 2.058 7.642 -3.173 673 1HG1 ILE 85 2HG1 ILE 85 -0.500 6.936 -2.802 674 2HG1 ILE 85 1HG1 ILE 85 -0.237 6.073 -4.316 675 1HG2 ILE 85 1HG2 ILE 85 0.016 9.026 -4.906 676 2HG2 ILE 85 2HG2 ILE 85 1.224 9.726 -3.829 677 3HG2 ILE 85 3HG2 ILE 85 -0.222 8.973 -3.159 678 1HD1 ILE 85 1HD1 ILE 85 0.320 4.558 -2.529 679 2HD1 ILE 85 2HD1 ILE 85 1.330 5.771 -1.742 680 3HD1 ILE 85 3HD1 ILE 85 1.836 5.061 -3.275 681 H ILE 86 H ILE 86 1.444 8.070 -7.655 682 HA ILE 86 HA ILE 86 3.449 10.190 -7.519 683 HB ILE 86 HB ILE 86 1.607 9.495 -9.815 684 1HG1 ILE 86 2HG1 ILE 86 4.421 8.502 -9.241 685 2HG1 ILE 86 1HG1 ILE 86 2.960 7.531 -9.098 686 1HG2 ILE 86 1HG2 ILE 86 4.165 11.090 -9.534 687 2HG2 ILE 86 2HG2 ILE 86 2.597 11.660 -10.101 688 3HG2 ILE 86 3HG2 ILE 86 3.543 10.554 -11.094 689 1HD1 ILE 86 1HD1 ILE 86 4.072 7.133 -11.262 690 2HD1 ILE 86 2HD1 ILE 86 3.945 8.848 -11.644 691 3HD1 ILE 86 3HD1 ILE 86 2.486 7.868 -11.493 692 H ASN 87 H ASN 87 2.977 12.402 -7.835 693 HA ASN 87 HA ASN 87 1.804 14.301 -7.225 694 1HB ASN 87 2HB ASN 87 1.077 13.783 -9.593 695 2HB ASN 87 1HB ASN 87 -0.357 13.018 -8.916 696 1HD2 ASN 87 1HD2 ASN 87 0.065 15.359 -6.707 697 2HD2 ASN 87 2HD2 ASN 87 -0.773 16.641 -7.437 698 HA PRO 88 HA PRO 88 -0.570 11.566 -4.061 699 1HB PRO 88 2HB PRO 88 0.637 13.261 -2.070 700 2HB PRO 88 1HB PRO 88 0.893 11.531 -2.339 701 1HG PRO 88 2HG PRO 88 2.548 13.801 -3.139 702 2HG PRO 88 1HG PRO 88 2.972 12.091 -2.997 703 1HD PRO 88 2HD PRO 88 2.737 13.386 -5.400 704 2HD PRO 88 1HD PRO 88 2.450 11.643 -5.200 705 H GLN 89 H GLN 89 -2.432 12.212 -3.009 706 HA GLN 89 HA GLN 89 -3.138 15.083 -3.199 707 1HB GLN 89 2HB GLN 89 -4.925 12.665 -3.568 708 2HB GLN 89 1HB GLN 89 -5.477 14.339 -3.546 709 1HG GLN 89 2HG GLN 89 -3.301 13.482 -5.444 710 2HG GLN 89 1HG GLN 89 -4.994 13.212 -5.850 711 1HE2 GLN 89 1HE2 GLN 89 -6.172 15.555 -4.780 712 2HE2 GLN 89 2HE2 GLN 89 -5.573 16.905 -5.616 713 H GLN 90 H GLN 90 -3.497 12.064 -1.409 714 HA GLN 90 HA GLN 90 -3.937 13.605 1.042 715 1HB GLN 90 2HB GLN 90 -6.191 13.142 0.531 716 2HB GLN 90 1HB GLN 90 -5.817 11.538 -0.089 717 1HG GLN 90 2HG GLN 90 -5.455 10.657 2.078 718 2HG GLN 90 1HG GLN 90 -5.316 12.261 2.795 719 1HE2 GLN 90 1HE2 GLN 90 -7.717 10.177 1.096 720 2HE2 GLN 90 2HE2 GLN 90 -9.061 10.804 1.922 721 H ILE 91 H ILE 91 -2.432 12.955 2.400 722 HA ILE 91 HA ILE 91 -1.493 10.158 2.293 723 HB ILE 91 HB ILE 91 0.334 11.614 1.805 724 1HG1 ILE 91 2HG1 ILE 91 0.754 11.235 4.751 725 2HG1 ILE 91 1HG1 ILE 91 0.482 9.810 3.750 726 1HG2 ILE 91 1HG2 ILE 91 0.913 13.558 3.116 727 2HG2 ILE 91 2HG2 ILE 91 -0.313 13.176 4.323 728 3HG2 ILE 91 3HG2 ILE 91 -0.796 13.689 2.707 729 1HD1 ILE 91 1HD1 ILE 91 2.656 11.891 3.383 730 2HD1 ILE 91 2HD1 ILE 91 2.333 10.584 2.244 731 3HD1 ILE 91 3HD1 ILE 91 2.872 10.215 3.882 732 HA PRO 92 HA PRO 92 -3.627 9.930 6.226 733 1HB PRO 92 2HB PRO 92 -2.635 7.248 6.574 734 2HB PRO 92 1HB PRO 92 -4.270 7.764 6.142 735 1HG PRO 92 2HG PRO 92 -2.389 6.490 4.492 736 2HG PRO 92 1HG PRO 92 -3.954 7.161 4.023 737 1HD PRO 92 2HD PRO 92 -1.284 8.200 3.476 738 2HD PRO 92 1HD PRO 92 -2.842 8.711 2.800 739 HA PRO 93 HA PRO 93 -0.523 10.946 9.186 740 1HB PRO 93 2HB PRO 93 -1.622 9.344 11.308 741 2HB PRO 93 1HB PRO 93 -1.765 11.092 11.069 742 1HG PRO 93 2HG PRO 93 -3.708 9.007 10.582 743 2HG PRO 93 1HG PRO 93 -3.927 10.759 10.617 744 1HD PRO 93 2HD PRO 93 -4.035 9.169 8.326 745 2HD PRO 93 1HD PRO 93 -3.800 10.929 8.342 746 H GLU 94 H GLU 94 -1.506 7.579 8.943 747 HA GLU 94 HA GLU 94 0.402 6.194 10.313 748 1HB GLU 94 2HB GLU 94 -0.921 5.663 7.667 749 2HB GLU 94 1HB GLU 94 0.217 4.511 8.364 750 1HG GLU 94 2HG GLU 94 -1.871 3.771 9.176 751 2HG GLU 94 1HG GLU 94 -1.214 4.703 10.518 752 H VAL 95 H VAL 95 0.717 7.106 6.879 753 HA VAL 95 HA VAL 95 3.520 6.428 6.831 754 HB VAL 95 HB VAL 95 2.099 8.071 4.742 755 1HG1 VAL 95 1HG1 VAL 95 4.624 7.444 4.752 756 2HG1 VAL 95 2HG1 VAL 95 3.703 7.165 3.275 757 3HG1 VAL 95 3HG1 VAL 95 4.067 5.819 4.356 758 1HG2 VAL 95 1HG2 VAL 95 1.588 5.712 3.751 759 2HG2 VAL 95 2HG2 VAL 95 0.526 6.335 5.013 760 3HG2 VAL 95 3HG2 VAL 95 1.767 5.147 5.413 761 H ALA 96 H ALA 96 1.647 9.187 7.611 762 HA ALA 96 HA ALA 96 3.631 11.183 7.037 763 1HB ALA 96 1HB ALA 96 1.564 11.706 9.106 764 2HB ALA 96 2HB ALA 96 0.986 11.332 7.482 765 3HB ALA 96 3HB ALA 96 2.071 12.697 7.739 766 H ALA 97 H ALA 97 2.853 9.151 9.788 767 HA ALA 97 HA ALA 97 4.152 10.522 11.843 768 1HB ALA 97 1HB ALA 97 2.841 8.644 12.442 769 2HB ALA 97 2HB ALA 97 4.502 8.173 12.803 770 3HB ALA 97 3HB ALA 97 3.715 7.581 11.340 771 H LEU 98 H LEU 98 5.480 8.825 9.133 772 HA LEU 98 HA LEU 98 8.168 8.767 10.334 773 1HB LEU 98 2HB LEU 98 6.844 7.377 8.041 774 2HB LEU 98 1HB LEU 98 8.588 7.617 7.978 775 HG LEU 98 HG LEU 98 7.871 5.430 9.021 776 1HD1 LEU 98 1HD1 LEU 98 10.001 6.937 9.584 777 2HD1 LEU 98 2HD1 LEU 98 9.672 5.446 10.466 778 3HD1 LEU 98 3HD1 LEU 98 9.232 7.001 11.169 779 1HD2 LEU 98 1HD2 LEU 98 5.894 6.611 10.219 780 2HD2 LEU 98 2HD2 LEU 98 7.093 7.082 11.423 781 3HD2 LEU 98 3HD2 LEU 98 6.779 5.375 11.115 782 H ILE 99 H ILE 99 6.242 10.623 8.206 783 HA ILE 99 HA ILE 99 8.610 11.848 6.939 784 HB ILE 99 HB ILE 99 5.668 11.900 6.233 785 1HG1 ILE 99 2HG1 ILE 99 8.057 10.978 4.608 786 2HG1 ILE 99 1HG1 ILE 99 7.144 9.892 5.656 787 1HG2 ILE 99 1HG2 ILE 99 6.381 14.081 5.665 788 2HG2 ILE 99 2HG2 ILE 99 6.613 13.173 4.172 789 3HG2 ILE 99 3HG2 ILE 99 7.994 13.534 5.208 790 1HD1 ILE 99 1HD1 ILE 99 6.264 11.278 3.141 791 2HD1 ILE 99 2HD1 ILE 99 5.064 10.850 4.360 792 3HD1 ILE 99 3HD1 ILE 99 6.052 9.593 3.617 793 H ASN 100 H ASN 100 5.788 12.550 8.914 794 HA ASN 100 HA ASN 100 6.315 15.397 9.008 795 1HB ASN 100 2HB ASN 100 4.300 13.569 10.291 796 2HB ASN 100 1HB ASN 100 4.466 15.243 10.809 797 1HD2 ASN 100 1HD2 ASN 100 2.341 15.796 9.934 798 2HD2 ASN 100 2HD2 ASN 100 2.087 15.921 8.260 799 H LEU 101 H LEU 101 7.555 12.688 10.589 800 HA LEU 101 HA LEU 101 8.730 12.358 12.546 801 1HB LEU 101 2HB LEU 101 10.088 14.084 11.143 802 2HB LEU 101 1HB LEU 101 9.564 15.242 12.364 803 HG LEU 101 HG LEU 101 10.380 13.335 14.031 804 1HD1 LEU 101 1HD1 LEU 101 12.433 12.248 13.094 805 2HD1 LEU 101 2HD1 LEU 101 11.989 12.863 11.502 806 3HD1 LEU 101 3HD1 LEU 101 10.948 11.698 12.320 807 1HD2 LEU 101 1HD2 LEU 101 11.277 15.629 13.932 808 2HD2 LEU 101 2HD2 LEU 101 12.261 15.191 12.535 809 3HD2 LEU 101 3HD2 LEU 101 12.586 14.459 14.107 810 H GLU 102 H GLU 102 6.827 12.141 13.831 811 HA GLU 102 HA GLU 102 5.551 14.311 15.136 812 1HB GLU 102 2HB GLU 102 5.706 11.495 16.214 813 2HB GLU 102 1HB GLU 102 4.411 12.673 16.421 814 1HG GLU 102 2HG GLU 102 5.205 11.331 13.817 815 2HG GLU 102 1HG GLU 102 3.756 10.993 14.759 816 H HIS 103 H HIS 103 8.655 13.282 15.452 817 HA HIS 103 HA HIS 103 8.862 13.648 18.345 818 1HB HIS 103 2HB HIS 103 10.637 12.630 16.177 819 2HB HIS 103 1HB HIS 103 11.405 13.337 17.599 820 HD1 HIS 103 HD1 HIS 103 12.040 11.466 19.113 821 HD2 HIS 103 HD2 HIS 103 8.278 10.849 17.426 822 HE1 HIS 103 HE1 HIS 103 11.134 9.338 20.143 823 H HIS 104 H HIS 104 10.287 15.206 19.270 824 HA HIS 104 HA HIS 104 11.082 17.467 17.574 825 1HB HIS 104 2HB HIS 104 10.103 18.958 19.490 826 2HB HIS 104 1HB HIS 104 9.027 18.354 18.231 827 HD1 HIS 104 HD1 HIS 104 7.507 16.274 18.862 828 HD2 HIS 104 HD2 HIS 104 9.585 17.952 22.064 829 HE1 HIS 104 HE1 HIS 104 6.448 15.348 20.968 830 H HIS 105 H HIS 105 12.678 18.811 18.528 831 HA HIS 105 HA HIS 105 13.801 18.018 21.102 832 1HB HIS 105 2HB HIS 105 16.118 17.892 19.930 833 2HB HIS 105 1HB HIS 105 15.055 16.491 19.844 834 HD1 HIS 105 HD1 HIS 105 17.015 18.642 17.727 835 HD2 HIS 105 HD2 HIS 105 13.402 16.609 17.284 836 HE1 HIS 105 HE1 HIS 105 16.576 18.493 15.237 837 H HIS 106 H HIS 106 12.619 20.319 20.875 838 HA HIS 106 HA HIS 106 12.790 22.619 20.820 839 1HB HIS 106 2HB HIS 106 14.246 21.760 22.793 840 2HB HIS 106 1HB HIS 106 15.614 22.226 21.784 841 HD1 HIS 106 HD1 HIS 106 15.352 23.827 24.286 842 HD2 HIS 106 HD2 HIS 106 13.290 24.873 20.816 843 HE1 HIS 106 HE1 HIS 106 14.784 26.286 24.502 844 H HIS 107 H HIS 107 13.461 21.388 18.313 845 HA HIS 107 HA HIS 107 15.807 22.749 17.286 846 1HB HIS 107 2HB HIS 107 14.838 20.456 16.532 847 2HB HIS 107 1HB HIS 107 13.716 21.426 15.578 848 HD1 HIS 107 HD1 HIS 107 17.466 21.788 16.245 849 HD2 HIS 107 HD2 HIS 107 14.794 21.608 13.049 850 HE1 HIS 107 HE1 HIS 107 18.841 22.110 14.142 851 H HIS 108 H HIS 108 15.797 24.391 15.723 852 HA HIS 108 HA HIS 108 13.402 26.102 15.802 853 1HB HIS 108 2HB HIS 108 14.946 27.885 15.012 854 2HB HIS 108 1HB HIS 108 15.457 27.174 16.542 855 HD1 HIS 108 HD1 HIS 108 17.616 25.768 16.551 856 HD2 HIS 108 HD2 HIS 108 16.604 27.197 12.768 857 HE1 HIS 108 HE1 HIS 108 19.618 25.332 15.062 Start of MODEL 2 1 HA MET 1 HA MET 1 21.227 3.299 2.256 2 1HB MET 1 2HB MET 1 22.990 1.837 4.235 3 2HB MET 1 1HB MET 1 22.209 1.015 2.884 4 1HG MET 1 2HG MET 1 23.280 2.705 1.344 5 2HG MET 1 1HG MET 1 24.189 3.305 2.732 6 1HE MET 1 1HE MET 1 26.279 2.999 1.476 7 2HE MET 1 2HE MET 1 25.628 2.191 0.053 8 3HE MET 1 3HE MET 1 26.987 1.478 0.917 9 H ASP 2 H ASP 2 19.101 2.911 2.325 10 HA ASP 2 HA ASP 2 17.518 2.513 4.571 11 1HB ASP 2 2HB ASP 2 17.161 1.768 1.676 12 2HB ASP 2 1HB ASP 2 15.934 1.357 2.870 13 H GLY 3 H GLY 3 17.703 0.961 6.051 14 1HA GLY 3 2HA GLY 3 18.638 -1.716 5.287 15 2HA GLY 3 1HA GLY 3 18.489 -1.094 6.927 16 H VAL 4 H VAL 4 16.747 -1.672 8.082 17 HA VAL 4 HA VAL 4 14.527 -3.020 6.667 18 HB VAL 4 HB VAL 4 14.097 -3.868 9.112 19 1HG1 VAL 4 1HG1 VAL 4 14.660 -5.413 7.383 20 2HG1 VAL 4 2HG1 VAL 4 15.819 -5.713 8.678 21 3HG1 VAL 4 3HG1 VAL 4 16.305 -4.787 7.257 22 1HG2 VAL 4 1HG2 VAL 4 15.871 -2.306 10.038 23 2HG2 VAL 4 2HG2 VAL 4 17.076 -3.304 9.224 24 3HG2 VAL 4 3HG2 VAL 4 16.072 -3.998 10.496 25 H MET 5 H MET 5 15.403 -0.379 8.712 26 HA MET 5 HA MET 5 12.861 0.203 9.853 27 1HB MET 5 2HB MET 5 15.373 1.158 10.233 28 2HB MET 5 1HB MET 5 14.676 2.455 9.258 29 1HG MET 5 2HG MET 5 12.647 2.234 10.916 30 2HG MET 5 1HG MET 5 13.836 1.470 11.971 31 1HE MET 5 1HE MET 5 12.396 3.457 12.962 32 2HE MET 5 2HE MET 5 12.251 4.900 11.963 33 3HE MET 5 3HE MET 5 13.263 4.935 13.405 34 H SER 6 H SER 6 12.793 -0.306 6.921 35 HA SER 6 HA SER 6 11.961 2.313 5.950 36 1HB SER 6 2HB SER 6 12.401 -0.236 4.374 37 2HB SER 6 1HB SER 6 12.153 1.382 3.724 38 HG SER 6 HG SER 6 14.207 1.697 3.972 39 H ALA 7 H ALA 7 10.267 1.577 4.026 40 HA ALA 7 HA ALA 7 8.268 -0.180 4.141 41 1HB ALA 7 1HB ALA 7 6.563 1.209 5.644 42 2HB ALA 7 2HB ALA 7 8.045 1.650 6.491 43 3HB ALA 7 3HB ALA 7 7.584 -0.048 6.341 44 H VAL 8 H VAL 8 9.295 3.061 3.882 45 HA VAL 8 HA VAL 8 7.594 3.482 1.586 46 HB VAL 8 HB VAL 8 6.050 4.322 3.185 47 1HG1 VAL 8 1HG1 VAL 8 7.223 4.432 5.210 48 2HG1 VAL 8 2HG1 VAL 8 6.947 6.136 4.846 49 3HG1 VAL 8 3HG1 VAL 8 8.520 5.408 4.519 50 1HG2 VAL 8 1HG2 VAL 8 5.834 6.589 2.559 51 2HG2 VAL 8 2HG2 VAL 8 6.772 5.893 1.240 52 3HG2 VAL 8 3HG2 VAL 8 7.578 6.833 2.493 53 H THR 9 H THR 9 8.264 5.248 0.289 54 HA THR 9 HA THR 9 10.781 6.566 1.013 55 HB THR 9 HB THR 9 10.395 4.552 -1.165 56 HG1 THR 9 HG1 THR 9 12.798 5.209 0.091 57 1HG2 THR 9 1HG2 THR 9 10.991 6.339 -2.578 58 2HG2 THR 9 2HG2 THR 9 12.548 5.615 -2.178 59 3HG2 THR 9 3HG2 THR 9 12.022 7.083 -1.356 60 H VAL 10 H VAL 10 10.460 8.651 0.656 61 HA VAL 10 HA VAL 10 8.437 9.561 -1.224 62 HB VAL 10 HB VAL 10 9.210 11.851 -0.288 63 1HG1 VAL 10 1HG1 VAL 10 7.929 11.401 1.859 64 2HG1 VAL 10 2HG1 VAL 10 7.898 9.700 1.397 65 3HG1 VAL 10 3HG1 VAL 10 7.104 10.903 0.383 66 1HG2 VAL 10 1HG2 VAL 10 11.305 10.486 0.712 67 2HG2 VAL 10 2HG2 VAL 10 10.195 10.303 2.070 68 3HG2 VAL 10 3HG2 VAL 10 10.650 11.914 1.516 69 H ASN 11 H ASN 11 9.216 9.286 -3.240 70 HA ASN 11 HA ASN 11 11.911 9.956 -3.997 71 1HB ASN 11 2HB ASN 11 9.804 9.698 -6.078 72 2HB ASN 11 1HB ASN 11 11.414 8.989 -6.012 73 1HD2 ASN 11 1HD2 ASN 11 11.533 6.815 -5.378 74 2HD2 ASN 11 2HD2 ASN 11 10.246 5.947 -4.691 75 H ASP 12 H ASP 12 11.252 11.138 -6.537 76 HA ASP 12 HA ASP 12 10.658 13.899 -5.656 77 1HB ASP 12 2HB ASP 12 12.347 12.784 -7.898 78 2HB ASP 12 1HB ASP 12 11.819 14.464 -7.874 79 H ASP 13 H ASP 13 9.073 11.414 -6.732 80 HA ASP 13 HA ASP 13 7.488 12.925 -8.727 81 1HB ASP 13 2HB ASP 13 8.746 11.025 -9.701 82 2HB ASP 13 1HB ASP 13 7.948 9.938 -8.568 83 H GLY 14 H GLY 14 7.573 11.006 -5.852 84 1HA GLY 14 2HA GLY 14 5.145 11.849 -4.817 85 2HA GLY 14 1HA GLY 14 4.807 10.347 -5.672 86 H LEU 15 H LEU 15 4.737 8.681 -4.294 87 HA LEU 15 HA LEU 15 6.953 8.235 -2.448 88 1HB LEU 15 2HB LEU 15 5.301 7.818 -0.562 89 2HB LEU 15 1HB LEU 15 5.559 9.507 -0.994 90 HG LEU 15 HG LEU 15 3.495 8.690 -2.689 91 1HD1 LEU 15 1HD1 LEU 15 3.159 6.639 -1.437 92 2HD1 LEU 15 2HD1 LEU 15 1.830 7.742 -1.078 93 3HD1 LEU 15 3HD1 LEU 15 3.138 7.526 0.088 94 1HD2 LEU 15 1HD2 LEU 15 3.481 10.157 -0.037 95 2HD2 LEU 15 2HD2 LEU 15 2.087 10.084 -1.113 96 3HD2 LEU 15 3HD2 LEU 15 3.574 10.861 -1.652 97 H VAL 16 H VAL 16 7.171 6.093 -1.790 98 HA VAL 16 HA VAL 16 5.483 4.157 -3.253 99 HB VAL 16 HB VAL 16 8.091 3.369 -2.019 100 1HG1 VAL 16 1HG1 VAL 16 6.379 1.892 -3.318 101 2HG1 VAL 16 2HG1 VAL 16 8.090 1.743 -3.718 102 3HG1 VAL 16 3HG1 VAL 16 7.023 2.689 -4.755 103 1HG2 VAL 16 1HG2 VAL 16 8.762 5.413 -3.103 104 2HG2 VAL 16 2HG2 VAL 16 7.768 5.060 -4.516 105 3HG2 VAL 16 3HG2 VAL 16 9.207 4.095 -4.187 106 H LEU 17 H LEU 17 4.533 2.458 -2.152 107 HA LEU 17 HA LEU 17 4.706 2.576 0.797 108 1HB LEU 17 2HB LEU 17 2.467 3.061 -0.626 109 2HB LEU 17 1HB LEU 17 2.346 1.310 -0.495 110 HG LEU 17 HG LEU 17 1.196 2.271 1.402 111 1HD1 LEU 17 1HD1 LEU 17 3.869 1.476 2.551 112 2HD1 LEU 17 2HD1 LEU 17 2.867 0.295 1.707 113 3HD1 LEU 17 3HD1 LEU 17 2.252 1.102 3.147 114 1HD2 LEU 17 1HD2 LEU 17 1.917 4.095 2.576 115 2HD2 LEU 17 2HD2 LEU 17 2.889 4.384 1.133 116 3HD2 LEU 17 3HD2 LEU 17 3.606 3.586 2.534 117 H ARG 18 H ARG 18 6.076 1.020 1.363 118 HA ARG 18 HA ARG 18 5.817 -1.620 0.088 119 1HB ARG 18 2HB ARG 18 8.060 -0.018 0.845 120 2HB ARG 18 1HB ARG 18 8.099 -1.519 1.768 121 1HG ARG 18 2HG ARG 18 7.765 -2.778 -0.367 122 2HG ARG 18 1HG ARG 18 7.873 -1.250 -1.241 123 1HD ARG 18 2HD ARG 18 10.069 -1.904 0.675 124 2HD ARG 18 1HD ARG 18 10.020 -2.799 -0.841 125 HE ARG 18 HE ARG 18 9.723 -0.043 -1.393 126 1HH1 ARG 18 1HH2 ARG 18 11.999 -0.390 0.758 127 2HH1 ARG 18 2HH2 ARG 18 13.387 -0.373 -0.278 128 1HH2 ARG 18 1HH1 ARG 18 11.559 -0.856 -3.181 129 2HH2 ARG 18 2HH1 ARG 18 13.137 -0.628 -2.505 130 H LEU 19 H LEU 19 4.738 -3.127 1.159 131 HA LEU 19 HA LEU 19 5.110 -3.396 4.034 132 1HB LEU 19 2HB LEU 19 2.780 -3.353 4.610 133 2HB LEU 19 1HB LEU 19 3.158 -1.857 3.768 134 HG LEU 19 HG LEU 19 2.366 -3.188 1.635 135 1HD1 LEU 19 1HD1 LEU 19 1.493 -4.892 3.917 136 2HD1 LEU 19 2HD1 LEU 19 1.851 -5.341 2.251 137 3HD1 LEU 19 3HD1 LEU 19 0.297 -4.607 2.650 138 1HD2 LEU 19 1HD2 LEU 19 0.087 -2.359 2.013 139 2HD2 LEU 19 2HD2 LEU 19 1.255 -1.196 2.645 140 3HD2 LEU 19 3HD2 LEU 19 0.390 -2.266 3.748 141 H TYR 20 H TYR 20 3.582 -5.300 4.777 142 HA TYR 20 HA TYR 20 4.119 -7.550 2.945 143 1HB TYR 20 2HB TYR 20 5.189 -7.507 5.237 144 2HB TYR 20 1HB TYR 20 3.572 -7.616 5.917 145 HD1 TYR 20 HD1 TYR 20 6.113 -9.388 3.893 146 HD2 TYR 20 HD2 TYR 20 2.314 -9.659 5.879 147 HE1 TYR 20 HE1 TYR 20 6.168 -11.856 3.666 148 HE2 TYR 20 HE2 TYR 20 2.366 -12.123 5.650 149 HH TYR 20 HH TYR 20 4.561 -13.890 5.368 150 H ILE 21 H ILE 21 2.277 -7.678 1.718 151 HA ILE 21 HA ILE 21 -0.347 -7.260 2.748 152 HB ILE 21 HB ILE 21 0.802 -8.313 0.184 153 1HG1 ILE 21 2HG1 ILE 21 0.362 -5.830 0.833 154 2HG1 ILE 21 1HG1 ILE 21 -0.187 -6.382 -0.750 155 1HG2 ILE 21 1HG2 ILE 21 -1.980 -8.766 1.212 156 2HG2 ILE 21 2HG2 ILE 21 -0.962 -9.825 0.239 157 3HG2 ILE 21 3HG2 ILE 21 -1.742 -8.431 -0.500 158 1HD1 ILE 21 1HD1 ILE 21 -1.995 -6.443 1.672 159 2HD1 ILE 21 2HD1 ILE 21 -2.445 -6.536 -0.030 160 3HD1 ILE 21 3HD1 ILE 21 -1.858 -5.016 0.646 161 H GLN 22 H GLN 22 -1.557 -8.572 3.901 162 HA GLN 22 HA GLN 22 -0.933 -11.466 3.931 163 1HB GLN 22 2HB GLN 22 -0.474 -9.933 6.033 164 2HB GLN 22 1HB GLN 22 -2.213 -10.091 6.267 165 1HG GLN 22 2HG GLN 22 -0.406 -12.479 5.840 166 2HG GLN 22 1HG GLN 22 -0.773 -11.838 7.441 167 1HE2 GLN 22 1HE2 GLN 22 -2.183 -13.482 4.628 168 2HE2 GLN 22 2HE2 GLN 22 -3.635 -13.920 5.392 169 HA PRO 23 HA PRO 23 -5.275 -10.992 2.505 170 1HB PRO 23 2HB PRO 23 -4.860 -13.295 0.824 171 2HB PRO 23 1HB PRO 23 -5.095 -11.611 0.336 172 1HG PRO 23 2HG PRO 23 -2.754 -13.057 0.068 173 2HG PRO 23 1HG PRO 23 -2.900 -11.296 -0.002 174 1HD PRO 23 2HD PRO 23 -1.898 -13.012 2.214 175 2HD PRO 23 1HD PRO 23 -1.477 -11.336 1.798 176 H LYS 24 H LYS 24 -7.103 -12.457 2.692 177 HA LYS 24 HA LYS 24 -8.238 -14.344 3.447 178 1HB LYS 24 2HB LYS 24 -5.703 -15.358 4.740 179 2HB LYS 24 1HB LYS 24 -7.152 -16.264 4.328 180 1HG LYS 24 2HG LYS 24 -5.769 -14.896 2.068 181 2HG LYS 24 1HG LYS 24 -4.944 -16.281 2.779 182 1HD LYS 24 2HD LYS 24 -6.327 -17.142 1.029 183 2HD LYS 24 1HD LYS 24 -7.135 -17.551 2.543 184 1HE LYS 24 2HE LYS 24 -8.824 -16.007 2.222 185 2HE LYS 24 1HE LYS 24 -7.803 -14.935 1.262 186 1HZ LYS 24 1HZ LYS 24 -9.545 -16.999 0.390 187 2HZ LYS 24 2HZ LYS 24 -7.961 -17.302 -0.149 188 3HZ LYS 24 3HZ LYS 24 -8.726 -15.833 -0.531 189 H ALA 25 H ALA 25 -7.764 -11.761 4.857 190 HA ALA 25 HA ALA 25 -7.876 -12.622 7.655 191 1HB ALA 25 1HB ALA 25 -7.123 -10.541 8.200 192 2HB ALA 25 2HB ALA 25 -8.086 -9.754 6.949 193 3HB ALA 25 3HB ALA 25 -6.556 -10.527 6.531 194 H SER 26 H SER 26 -9.564 -11.281 8.914 195 HA SER 26 HA SER 26 -12.124 -11.893 7.747 196 1HB SER 26 2HB SER 26 -11.141 -10.871 10.373 197 2HB SER 26 1HB SER 26 -12.824 -10.560 9.945 198 HG SER 26 HG SER 26 -11.922 -12.727 10.968 199 H ARG 27 H ARG 27 -10.003 -9.249 7.594 200 HA ARG 27 HA ARG 27 -11.744 -7.697 5.983 201 1HB ARG 27 2HB ARG 27 -12.613 -7.428 8.491 202 2HB ARG 27 1HB ARG 27 -11.324 -6.229 8.546 203 1HG ARG 27 2HG ARG 27 -12.268 -5.027 6.673 204 2HG ARG 27 1HG ARG 27 -13.457 -6.298 6.392 205 1HD ARG 27 2HD ARG 27 -13.310 -4.359 8.705 206 2HD ARG 27 1HD ARG 27 -14.635 -4.600 7.572 207 HE ARG 27 HE ARG 27 -14.659 -6.971 8.696 208 1HH1 ARG 27 1HH2 ARG 27 -13.007 -4.738 10.566 209 2HH1 ARG 27 2HH2 ARG 27 -14.038 -4.850 11.953 210 1HH2 ARG 27 1HH1 ARG 27 -16.441 -6.762 10.348 211 2HH2 ARG 27 2HH1 ARG 27 -15.980 -5.989 11.829 212 H ASP 28 H ASP 28 -10.812 -5.552 5.435 213 HA ASP 28 HA ASP 28 -7.926 -5.678 5.317 214 1HB ASP 28 2HB ASP 28 -9.132 -3.169 4.476 215 2HB ASP 28 1HB ASP 28 -8.085 -4.264 3.589 216 H SER 29 H SER 29 -7.275 -5.448 7.407 217 HA SER 29 HA SER 29 -7.560 -2.741 8.549 218 1HB SER 29 2HB SER 29 -8.166 -5.355 9.809 219 2HB SER 29 1HB SER 29 -7.303 -4.186 10.804 220 HG SER 29 HG SER 29 -9.055 -3.036 10.914 221 H ILE 30 H ILE 30 -5.717 -1.801 9.224 222 HA ILE 30 HA ILE 30 -3.216 -3.274 8.876 223 HB ILE 30 HB ILE 30 -2.490 -0.768 9.768 224 1HG1 ILE 30 2HG1 ILE 30 -5.057 -0.511 8.155 225 2HG1 ILE 30 1HG1 ILE 30 -4.803 0.046 9.810 226 1HG2 ILE 30 1HG2 ILE 30 -3.151 -1.481 6.898 227 2HG2 ILE 30 2HG2 ILE 30 -1.730 -2.080 7.751 228 3HG2 ILE 30 3HG2 ILE 30 -1.920 -0.352 7.461 229 1HD1 ILE 30 1HD1 ILE 30 -3.682 1.153 7.247 230 2HD1 ILE 30 2HD1 ILE 30 -2.812 1.400 8.762 231 3HD1 ILE 30 3HD1 ILE 30 -4.457 2.008 8.580 232 H VAL 31 H VAL 31 -3.843 -4.690 10.647 233 HA VAL 31 HA VAL 31 -3.484 -3.568 13.345 234 HB VAL 31 HB VAL 31 -4.209 -6.056 13.852 235 1HG1 VAL 31 1HG1 VAL 31 -6.064 -3.837 12.941 236 2HG1 VAL 31 2HG1 VAL 31 -5.452 -4.084 14.575 237 3HG1 VAL 31 3HG1 VAL 31 -6.577 -5.243 13.871 238 1HG2 VAL 31 1HG2 VAL 31 -5.668 -7.000 12.200 239 2HG2 VAL 31 2HG2 VAL 31 -4.177 -6.581 11.361 240 3HG2 VAL 31 3HG2 VAL 31 -5.594 -5.542 11.212 241 H GLY 32 H GLY 32 -1.325 -4.390 11.283 242 1HA GLY 32 2HA GLY 32 0.308 -5.897 13.210 243 2HA GLY 32 1HA GLY 32 0.140 -6.527 11.572 244 H LEU 33 H LEU 33 0.274 -3.184 12.525 245 HA LEU 33 HA LEU 33 2.313 -2.560 10.619 246 1HB LEU 33 2HB LEU 33 0.954 -1.002 12.816 247 2HB LEU 33 1HB LEU 33 2.114 -0.285 11.696 248 HG LEU 33 HG LEU 33 -0.624 -1.413 11.131 249 1HD1 LEU 33 1HD1 LEU 33 -0.667 0.757 9.760 250 2HD1 LEU 33 2HD1 LEU 33 0.842 1.171 10.577 251 3HD1 LEU 33 3HD1 LEU 33 -0.633 0.932 11.515 252 1HD2 LEU 33 1HD2 LEU 33 0.096 -1.011 8.655 253 2HD2 LEU 33 2HD2 LEU 33 0.585 -2.517 9.433 254 3HD2 LEU 33 3HD2 LEU 33 1.738 -1.192 9.271 255 H HIS 34 H HIS 34 4.454 -2.542 10.899 256 HA HIS 34 HA HIS 34 5.473 -2.875 13.645 257 1HB HIS 34 2HB HIS 34 5.823 -4.766 12.027 258 2HB HIS 34 1HB HIS 34 6.863 -3.695 11.097 259 HD1 HIS 34 HD1 HIS 34 6.551 -4.440 14.834 260 HD2 HIS 34 HD2 HIS 34 9.474 -4.212 11.870 261 HE1 HIS 34 HE1 HIS 34 8.761 -4.923 15.970 262 H GLY 35 H GLY 35 7.491 -1.883 14.200 263 1HA GLY 35 2HA GLY 35 7.635 0.845 13.514 264 2HA GLY 35 1HA GLY 35 8.869 -0.051 14.396 265 H ASP 36 H ASP 36 9.106 -1.974 12.095 266 HA ASP 36 HA ASP 36 10.656 -0.225 10.279 267 1HB ASP 36 2HB ASP 36 11.319 -3.107 10.849 268 2HB ASP 36 1HB ASP 36 12.328 -1.882 10.096 269 H GLU 37 H GLU 37 8.108 -2.461 10.557 270 HA GLU 37 HA GLU 37 8.019 -2.699 7.614 271 1HB GLU 37 2HB GLU 37 7.239 -4.971 9.447 272 2HB GLU 37 1HB GLU 37 7.423 -5.007 7.695 273 1HG GLU 37 2HG GLU 37 9.665 -4.529 9.685 274 2HG GLU 37 1HG GLU 37 9.361 -6.042 8.839 275 H VAL 38 H VAL 38 5.714 -3.808 7.122 276 HA VAL 38 HA VAL 38 3.629 -2.641 8.822 277 HB VAL 38 HB VAL 38 4.083 -1.980 5.909 278 1HG1 VAL 38 1HG1 VAL 38 1.853 -1.856 5.589 279 2HG1 VAL 38 2HG1 VAL 38 1.725 -0.727 6.933 280 3HG1 VAL 38 3HG1 VAL 38 1.581 -2.461 7.221 281 1HG2 VAL 38 1HG2 VAL 38 3.781 0.348 6.794 282 2HG2 VAL 38 2HG2 VAL 38 5.180 -0.482 7.472 283 3HG2 VAL 38 3HG2 VAL 38 3.703 -0.328 8.420 284 H LYS 39 H LYS 39 2.247 -4.279 9.199 285 HA LYS 39 HA LYS 39 1.873 -6.231 7.016 286 1HB LYS 39 2HB LYS 39 2.866 -6.771 9.503 287 2HB LYS 39 1HB LYS 39 1.144 -7.104 9.725 288 1HG LYS 39 2HG LYS 39 1.404 -8.324 7.393 289 2HG LYS 39 1HG LYS 39 3.101 -8.404 7.867 290 1HD LYS 39 2HD LYS 39 1.918 -10.433 8.599 291 2HD LYS 39 1HD LYS 39 2.440 -9.496 9.997 292 1HE LYS 39 2HE LYS 39 0.276 -8.812 10.520 293 2HE LYS 39 1HE LYS 39 -0.291 -8.998 8.860 294 1HZ LYS 39 1HZ LYS 39 -0.349 -11.319 9.076 295 2HZ LYS 39 2HZ LYS 39 -1.056 -10.725 10.501 296 3HZ LYS 39 3HZ LYS 39 0.544 -11.303 10.519 297 H VAL 40 H VAL 40 0.040 -5.846 6.020 298 HA VAL 40 HA VAL 40 -2.307 -5.047 7.632 299 HB VAL 40 HB VAL 40 -1.545 -3.465 5.808 300 1HG1 VAL 40 1HG1 VAL 40 -1.685 -4.064 3.542 301 2HG1 VAL 40 2HG1 VAL 40 -2.701 -5.466 3.875 302 3HG1 VAL 40 3HG1 VAL 40 -0.985 -5.504 4.278 303 1HG2 VAL 40 1HG2 VAL 40 -4.270 -4.679 5.271 304 2HG2 VAL 40 2HG2 VAL 40 -3.784 -2.995 5.080 305 3HG2 VAL 40 3HG2 VAL 40 -3.934 -3.693 6.692 306 H ALA 41 H ALA 41 -4.085 -6.304 7.617 307 HA ALA 41 HA ALA 41 -3.911 -8.820 6.103 308 1HB ALA 41 1HB ALA 41 -6.110 -8.524 8.039 309 2HB ALA 41 2HB ALA 41 -4.501 -8.428 8.754 310 3HB ALA 41 3HB ALA 41 -4.968 -9.851 7.820 311 H ILE 42 H ILE 42 -4.890 -8.699 4.185 312 HA ILE 42 HA ILE 42 -7.304 -7.019 3.933 313 HB ILE 42 HB ILE 42 -5.398 -6.625 2.343 314 1HG1 ILE 42 2HG1 ILE 42 -7.850 -7.778 0.967 315 2HG1 ILE 42 1HG1 ILE 42 -7.836 -6.213 1.775 316 1HG2 ILE 42 1HG2 ILE 42 -6.114 -9.395 1.319 317 2HG2 ILE 42 2HG2 ILE 42 -4.652 -9.003 2.221 318 3HG2 ILE 42 3HG2 ILE 42 -4.920 -8.299 0.630 319 1HD1 ILE 42 1HD1 ILE 42 -6.653 -5.223 0.108 320 2HD1 ILE 42 2HD1 ILE 42 -7.192 -6.595 -0.859 321 3HD1 ILE 42 3HD1 ILE 42 -5.600 -6.620 -0.104 322 H THR 43 H THR 43 -9.182 -7.885 2.984 323 HA THR 43 HA THR 43 -9.548 -10.708 3.614 324 HB THR 43 HB THR 43 -11.189 -9.209 4.516 325 HG1 THR 43 HG1 THR 43 -11.838 -11.257 3.462 326 1HG2 THR 43 1HG2 THR 43 -11.378 -8.219 1.673 327 2HG2 THR 43 2HG2 THR 43 -11.065 -7.292 3.140 328 3HG2 THR 43 3HG2 THR 43 -12.676 -7.942 2.835 329 H ALA 44 H ALA 44 -8.164 -9.633 1.094 330 HA ALA 44 HA ALA 44 -9.922 -10.792 -0.955 331 1HB ALA 44 1HB ALA 44 -8.787 -9.558 -2.513 332 2HB ALA 44 2HB ALA 44 -7.242 -9.725 -1.676 333 3HB ALA 44 3HB ALA 44 -8.436 -8.557 -1.102 334 HA PRO 45 HA PRO 45 -7.530 -14.476 -1.332 335 1HB PRO 45 2HB PRO 45 -7.539 -14.513 -4.224 336 2HB PRO 45 1HB PRO 45 -8.599 -15.397 -3.115 337 1HG PRO 45 2HG PRO 45 -9.408 -13.374 -4.778 338 2HG PRO 45 1HG PRO 45 -10.256 -13.872 -3.306 339 1HD PRO 45 2HD PRO 45 -8.432 -11.528 -3.726 340 2HD PRO 45 1HD PRO 45 -9.900 -11.656 -2.727 341 HA PRO 46 HA PRO 46 -3.289 -13.689 -2.315 342 1HB PRO 46 2HB PRO 46 -2.705 -16.371 -3.207 343 2HB PRO 46 1HB PRO 46 -2.390 -15.647 -1.624 344 1HG PRO 46 2HG PRO 46 -4.224 -17.647 -2.140 345 2HG PRO 46 1HG PRO 46 -4.203 -16.610 -0.706 346 1HD PRO 46 2HD PRO 46 -5.968 -16.470 -3.103 347 2HD PRO 46 1HD PRO 46 -6.295 -15.989 -1.423 348 H VAL 47 H VAL 47 -5.446 -14.047 -4.706 349 HA VAL 47 HA VAL 47 -3.526 -14.344 -6.913 350 HB VAL 47 HB VAL 47 -5.670 -15.585 -7.015 351 1HG1 VAL 47 1HG1 VAL 47 -6.811 -13.430 -5.881 352 2HG1 VAL 47 2HG1 VAL 47 -7.730 -14.569 -6.866 353 3HG1 VAL 47 3HG1 VAL 47 -7.154 -13.058 -7.570 354 1HG2 VAL 47 1HG2 VAL 47 -4.403 -14.571 -9.057 355 2HG2 VAL 47 2HG2 VAL 47 -5.742 -13.427 -9.126 356 3HG2 VAL 47 3HG2 VAL 47 -6.049 -15.154 -9.304 357 H ASP 48 H ASP 48 -3.272 -12.743 -8.521 358 HA ASP 48 HA ASP 48 -3.167 -10.082 -7.571 359 1HB ASP 48 2HB ASP 48 -3.165 -10.797 -10.494 360 2HB ASP 48 1HB ASP 48 -2.320 -9.484 -9.688 361 H GLY 49 H GLY 49 -5.156 -11.372 -10.251 362 1HA GLY 49 2HA GLY 49 -6.714 -9.329 -10.952 363 2HA GLY 49 1HA GLY 49 -7.407 -10.931 -10.716 364 H GLN 50 H GLN 50 -7.579 -11.337 -8.118 365 HA GLN 50 HA GLN 50 -9.602 -9.469 -7.285 366 1HB GLN 50 2HB GLN 50 -8.475 -11.996 -6.084 367 2HB GLN 50 1HB GLN 50 -9.671 -11.010 -5.249 368 1HG GLN 50 2HG GLN 50 -10.744 -12.826 -6.553 369 2HG GLN 50 1HG GLN 50 -11.224 -11.233 -7.137 370 1HE2 GLN 50 1HE2 GLN 50 -10.592 -10.627 -9.282 371 2HE2 GLN 50 2HE2 GLN 50 -9.789 -11.687 -10.336 372 H ALA 51 H ALA 51 -6.428 -10.448 -5.911 373 HA ALA 51 HA ALA 51 -6.487 -8.706 -3.699 374 1HB ALA 51 1HB ALA 51 -4.841 -10.559 -4.020 375 2HB ALA 51 2HB ALA 51 -4.095 -9.032 -3.558 376 3HB ALA 51 3HB ALA 51 -4.028 -9.573 -5.234 377 H ASN 52 H ASN 52 -4.715 -8.280 -6.752 378 HA ASN 52 HA ASN 52 -3.756 -5.748 -6.529 379 1HB ASN 52 2HB ASN 52 -3.512 -7.298 -8.500 380 2HB ASN 52 1HB ASN 52 -5.120 -6.798 -9.015 381 1HD2 ASN 52 1HD2 ASN 52 -2.227 -6.281 -10.094 382 2HD2 ASN 52 2HD2 ASN 52 -2.221 -4.607 -10.374 383 H SER 53 H SER 53 -7.007 -6.552 -7.811 384 HA SER 53 HA SER 53 -8.040 -4.089 -8.324 385 1HB SER 53 2HB SER 53 -9.341 -6.466 -7.000 386 2HB SER 53 1HB SER 53 -10.252 -5.017 -7.412 387 HG SER 53 HG SER 53 -9.113 -5.386 -9.574 388 H HIS 54 H HIS 54 -8.035 -5.624 -5.096 389 HA HIS 54 HA HIS 54 -9.153 -3.417 -3.713 390 1HB HIS 54 2HB HIS 54 -7.724 -5.913 -2.966 391 2HB HIS 54 1HB HIS 54 -7.724 -4.612 -1.776 392 HD1 HIS 54 HD1 HIS 54 -10.644 -5.063 -4.096 393 HD2 HIS 54 HD2 HIS 54 -9.644 -5.930 -0.143 394 HE1 HIS 54 HE1 HIS 54 -12.794 -5.754 -2.946 395 H LEU 55 H LEU 55 -5.748 -4.444 -4.107 396 HA LEU 55 HA LEU 55 -4.472 -2.570 -2.556 397 1HB LEU 55 2HB LEU 55 -3.763 -4.151 -4.930 398 2HB LEU 55 1HB LEU 55 -2.815 -2.677 -4.745 399 HG LEU 55 HG LEU 55 -2.296 -3.320 -2.407 400 1HD1 LEU 55 1HD1 LEU 55 -2.828 -5.991 -2.192 401 2HD1 LEU 55 2HD1 LEU 55 -4.257 -5.440 -3.067 402 3HD1 LEU 55 3HD1 LEU 55 -3.850 -4.728 -1.504 403 1HD2 LEU 55 1HD2 LEU 55 -1.664 -5.415 -4.514 404 2HD2 LEU 55 2HD2 LEU 55 -0.811 -5.244 -2.980 405 3HD2 LEU 55 3HD2 LEU 55 -0.732 -3.954 -4.180 406 H VAL 56 H VAL 56 -5.573 -2.143 -5.914 407 HA VAL 56 HA VAL 56 -4.645 0.531 -6.183 408 HB VAL 56 HB VAL 56 -5.731 -1.359 -7.881 409 1HG1 VAL 56 1HG1 VAL 56 -7.755 -0.482 -8.828 410 2HG1 VAL 56 2HG1 VAL 56 -7.667 0.972 -7.834 411 3HG1 VAL 56 3HG1 VAL 56 -8.022 -0.586 -7.088 412 1HG2 VAL 56 1HG2 VAL 56 -5.606 0.573 -9.568 413 2HG2 VAL 56 2HG2 VAL 56 -4.142 0.235 -8.646 414 3HG2 VAL 56 3HG2 VAL 56 -5.172 1.596 -8.199 415 H LYS 57 H LYS 57 -7.462 -0.904 -4.761 416 HA LYS 57 HA LYS 57 -9.006 1.541 -4.668 417 1HB LYS 57 2HB LYS 57 -10.014 -0.751 -4.836 418 2HB LYS 57 1HB LYS 57 -9.477 -1.054 -3.183 419 1HG LYS 57 2HG LYS 57 -10.761 1.007 -2.479 420 2HG LYS 57 1HG LYS 57 -11.422 1.073 -4.110 421 1HD LYS 57 2HD LYS 57 -11.606 -1.484 -2.543 422 2HD LYS 57 1HD LYS 57 -12.756 -0.185 -2.228 423 1HE LYS 57 2HE LYS 57 -12.243 -1.042 -5.063 424 2HE LYS 57 1HE LYS 57 -13.320 -1.999 -4.046 425 1HZ LYS 57 1HZ LYS 57 -14.803 -0.513 -4.863 426 2HZ LYS 57 2HZ LYS 57 -13.649 0.716 -5.073 427 3HZ LYS 57 3HZ LYS 57 -14.275 0.389 -3.527 428 H PHE 58 H PHE 58 -7.297 -0.490 -2.270 429 HA PHE 58 HA PHE 58 -7.896 0.949 0.018 430 1HB PHE 58 2HB PHE 58 -6.482 -1.257 -0.381 431 2HB PHE 58 1HB PHE 58 -5.125 -0.134 -0.292 432 HD1 PHE 58 HD1 PHE 58 -8.346 -0.860 1.507 433 HD2 PHE 58 HD2 PHE 58 -4.225 0.322 1.821 434 HE1 PHE 58 HE1 PHE 58 -8.541 -0.823 3.979 435 HE2 PHE 58 HE2 PHE 58 -4.425 0.358 4.290 436 HZ PHE 58 HZ PHE 58 -6.582 -0.214 5.369 437 H LEU 59 H LEU 59 -5.108 1.465 -2.175 438 HA LEU 59 HA LEU 59 -4.283 3.826 -0.713 439 1HB LEU 59 2HB LEU 59 -3.356 2.550 -3.282 440 2HB LEU 59 1HB LEU 59 -2.749 4.110 -2.752 441 HG LEU 59 HG LEU 59 -1.284 2.231 -2.056 442 1HD1 LEU 59 1HD1 LEU 59 -0.845 3.086 0.075 443 2HD1 LEU 59 2HD1 LEU 59 -2.552 3.348 0.430 444 3HD1 LEU 59 3HD1 LEU 59 -1.713 4.410 -0.700 445 1HD2 LEU 59 1HD2 LEU 59 -3.433 1.418 -0.105 446 2HD2 LEU 59 2HD2 LEU 59 -2.003 0.519 -0.610 447 3HD2 LEU 59 3HD2 LEU 59 -3.365 0.694 -1.713 448 H GLY 60 H GLY 60 -5.917 3.106 -3.777 449 1HA GLY 60 2HA GLY 60 -6.063 5.680 -4.835 450 2HA GLY 60 1HA GLY 60 -7.254 4.415 -5.121 451 H LYS 61 H LYS 61 -8.115 4.098 -2.424 452 HA LYS 61 HA LYS 61 -9.944 6.337 -2.266 453 1HB LYS 61 2HB LYS 61 -11.246 4.992 -0.902 454 2HB LYS 61 1HB LYS 61 -10.391 3.778 -1.849 455 1HG LYS 61 2HG LYS 61 -8.650 3.730 0.004 456 2HG LYS 61 1HG LYS 61 -9.770 4.689 0.967 457 1HD LYS 61 2HD LYS 61 -10.680 2.134 -0.343 458 2HD LYS 61 1HD LYS 61 -9.829 2.093 1.200 459 1HE LYS 61 2HE LYS 61 -12.320 3.739 0.670 460 2HE LYS 61 1HE LYS 61 -12.319 2.161 1.456 461 1HZ LYS 61 1HZ LYS 61 -12.296 4.053 3.025 462 2HZ LYS 61 2HZ LYS 61 -10.770 4.501 2.424 463 3HZ LYS 61 3HZ LYS 61 -10.969 3.013 3.213 464 H GLN 62 H GLN 62 -7.351 4.992 -0.230 465 HA GLN 62 HA GLN 62 -7.711 6.872 1.896 466 1HB GLN 62 2HB GLN 62 -5.578 4.900 1.147 467 2HB GLN 62 1HB GLN 62 -5.261 6.093 2.406 468 1HG GLN 62 2HG GLN 62 -7.744 4.369 2.427 469 2HG GLN 62 1HG GLN 62 -6.237 3.844 3.173 470 1HE2 GLN 62 1HE2 GLN 62 -8.419 4.186 4.862 471 2HE2 GLN 62 2HE2 GLN 62 -8.214 5.582 5.806 472 H PHE 63 H PHE 63 -5.431 6.667 -0.818 473 HA PHE 63 HA PHE 63 -4.245 9.223 -0.137 474 1HB PHE 63 2HB PHE 63 -3.551 6.971 -1.847 475 2HB PHE 63 1HB PHE 63 -3.359 8.507 -2.692 476 HD1 PHE 63 HD1 PHE 63 -1.942 10.311 -1.699 477 HD2 PHE 63 HD2 PHE 63 -2.115 6.347 -0.048 478 HE1 PHE 63 HE1 PHE 63 0.119 10.766 -0.394 479 HE2 PHE 63 HE2 PHE 63 -0.050 6.800 1.255 480 HZ PHE 63 HZ PHE 63 1.065 9.011 1.082 481 H ARG 64 H ARG 64 -6.854 8.057 -2.006 482 HA ARG 64 HA ARG 64 -8.374 9.088 -3.372 483 1HB ARG 64 2HB ARG 64 -7.328 11.172 -1.607 484 2HB ARG 64 1HB ARG 64 -7.960 11.787 -3.129 485 1HG ARG 64 2HG ARG 64 -10.038 10.394 -2.722 486 2HG ARG 64 1HG ARG 64 -9.406 10.054 -1.111 487 1HD ARG 64 2HD ARG 64 -10.730 11.915 -0.675 488 2HD ARG 64 1HD ARG 64 -9.171 12.678 -0.975 489 HE ARG 64 HE ARG 64 -10.902 12.369 -3.306 490 1HH1 ARG 64 1HH1 ARG 64 -8.998 14.421 -1.374 491 2HH1 ARG 64 2HH1 ARG 64 -9.806 15.880 -1.834 492 1HH2 ARG 64 1HH2 ARG 64 -12.294 14.259 -3.622 493 2HH2 ARG 64 2HH2 ARG 64 -11.668 15.790 -3.106 494 H VAL 65 H VAL 65 -5.384 8.744 -4.131 495 HA VAL 65 HA VAL 65 -5.139 10.696 -6.295 496 HB VAL 65 HB VAL 65 -2.948 9.649 -6.711 497 1HG1 VAL 65 1HG1 VAL 65 -2.011 10.025 -4.319 498 2HG1 VAL 65 2HG1 VAL 65 -3.669 10.469 -3.910 499 3HG1 VAL 65 3HG1 VAL 65 -2.794 11.377 -5.141 500 1HG2 VAL 65 1HG2 VAL 65 -2.238 7.931 -4.879 501 2HG2 VAL 65 2HG2 VAL 65 -3.204 7.359 -6.238 502 3HG2 VAL 65 3HG2 VAL 65 -3.971 7.668 -4.681 503 H ALA 66 H ALA 66 -5.043 10.134 -8.473 504 HA ALA 66 HA ALA 66 -6.971 8.442 -9.458 505 1HB ALA 66 1HB ALA 66 -5.444 8.494 -11.589 506 2HB ALA 66 2HB ALA 66 -4.485 9.625 -10.631 507 3HB ALA 66 3HB ALA 66 -6.173 9.986 -10.990 508 H LYS 67 H LYS 67 -6.846 6.448 -10.661 509 HA LYS 67 HA LYS 67 -5.356 4.426 -9.265 510 1HB LYS 67 2HB LYS 67 -6.465 2.852 -10.753 511 2HB LYS 67 1HB LYS 67 -7.640 4.037 -10.183 512 1HG LYS 67 2HG LYS 67 -7.075 5.349 -12.342 513 2HG LYS 67 1HG LYS 67 -6.337 3.847 -12.900 514 1HD LYS 67 2HD LYS 67 -9.208 4.148 -11.962 515 2HD LYS 67 1HD LYS 67 -8.691 4.022 -13.644 516 1HE LYS 67 2HE LYS 67 -7.548 1.811 -12.909 517 2HE LYS 67 1HE LYS 67 -8.576 1.923 -11.479 518 1HZ LYS 67 1HZ LYS 67 -9.288 0.868 -13.886 519 2HZ LYS 67 2HZ LYS 67 -10.013 2.406 -13.905 520 3HZ LYS 67 3HZ LYS 67 -10.353 1.319 -12.643 521 H SER 68 H SER 68 -5.009 6.253 -12.185 522 HA SER 68 HA SER 68 -3.026 4.607 -13.433 523 1HB SER 68 2HB SER 68 -4.023 6.000 -14.981 524 2HB SER 68 1HB SER 68 -4.168 7.335 -13.842 525 HG SER 68 HG SER 68 -1.799 6.387 -15.101 526 H GLN 69 H GLN 69 -3.017 6.637 -10.739 527 HA GLN 69 HA GLN 69 -0.160 7.281 -10.964 528 1HB GLN 69 2HB GLN 69 -2.220 8.136 -8.914 529 2HB GLN 69 1HB GLN 69 -0.548 8.689 -8.980 530 1HG GLN 69 2HG GLN 69 -2.460 9.012 -11.304 531 2HG GLN 69 1HG GLN 69 -2.274 10.239 -10.052 532 1HE2 GLN 69 1HE2 GLN 69 -0.555 8.558 -12.683 533 2HE2 GLN 69 2HE2 GLN 69 0.699 9.696 -12.808 534 H VAL 70 H VAL 70 -2.192 4.917 -9.716 535 HA VAL 70 HA VAL 70 -0.433 4.195 -7.489 536 HB VAL 70 HB VAL 70 -3.134 3.174 -8.404 537 1HG1 VAL 70 1HG1 VAL 70 -1.129 2.027 -6.505 538 2HG1 VAL 70 2HG1 VAL 70 -2.292 1.202 -7.541 539 3HG1 VAL 70 3HG1 VAL 70 -2.829 1.961 -6.044 540 1HG2 VAL 70 1HG2 VAL 70 -2.148 4.671 -5.955 541 2HG2 VAL 70 2HG2 VAL 70 -3.772 4.000 -6.109 542 3HG2 VAL 70 3HG2 VAL 70 -3.238 5.278 -7.200 543 H VAL 71 H VAL 71 1.376 3.333 -8.404 544 HA VAL 71 HA VAL 71 1.011 1.130 -10.352 545 HB VAL 71 HB VAL 71 3.549 2.685 -9.830 546 1HG1 VAL 71 1HG1 VAL 71 3.934 0.544 -10.894 547 2HG1 VAL 71 2HG1 VAL 71 4.082 1.796 -12.128 548 3HG1 VAL 71 3HG1 VAL 71 2.613 0.819 -12.032 549 1HG2 VAL 71 1HG2 VAL 71 1.316 3.142 -11.832 550 2HG2 VAL 71 2HG2 VAL 71 2.927 3.841 -12.003 551 3HG2 VAL 71 3HG2 VAL 71 1.918 4.278 -10.624 552 H ILE 72 H ILE 72 1.361 -0.873 -9.695 553 HA ILE 72 HA ILE 72 2.638 -1.440 -7.129 554 HB ILE 72 HB ILE 72 1.530 -3.377 -9.182 555 1HG1 ILE 72 2HG1 ILE 72 0.126 -2.230 -6.750 556 2HG1 ILE 72 1HG1 ILE 72 -0.104 -1.599 -8.380 557 1HG2 ILE 72 1HG2 ILE 72 2.986 -4.407 -7.504 558 2HG2 ILE 72 2HG2 ILE 72 1.309 -4.836 -7.169 559 3HG2 ILE 72 3HG2 ILE 72 2.109 -3.592 -6.209 560 1HD1 ILE 72 1HD1 ILE 72 -0.902 -3.773 -9.154 561 2HD1 ILE 72 2HD1 ILE 72 -1.853 -3.257 -7.760 562 3HD1 ILE 72 3HD1 ILE 72 -0.595 -4.479 -7.566 563 H GLU 73 H GLU 73 4.777 -0.846 -7.544 564 HA GLU 73 HA GLU 73 6.319 -1.772 -9.735 565 1HB GLU 73 2HB GLU 73 7.086 -0.734 -7.002 566 2HB GLU 73 1HB GLU 73 8.266 -1.125 -8.254 567 1HG GLU 73 2HG GLU 73 6.884 0.427 -9.785 568 2HG GLU 73 1HG GLU 73 6.119 0.999 -8.305 569 H LYS 74 H LYS 74 4.926 -3.585 -7.372 570 HA LYS 74 HA LYS 74 5.943 -6.015 -7.921 571 1HB LYS 74 2HB LYS 74 7.936 -4.478 -6.408 572 2HB LYS 74 1HB LYS 74 7.514 -6.007 -5.641 573 1HG LYS 74 2HG LYS 74 8.297 -7.280 -7.413 574 2HG LYS 74 1HG LYS 74 8.032 -5.995 -8.591 575 1HD LYS 74 2HD LYS 74 9.898 -4.705 -7.457 576 2HD LYS 74 1HD LYS 74 10.242 -6.164 -6.528 577 1HE LYS 74 2HE LYS 74 10.188 -6.055 -9.558 578 2HE LYS 74 1HE LYS 74 11.658 -5.939 -8.591 579 1HZ LYS 74 1HZ LYS 74 11.705 -8.138 -8.549 580 2HZ LYS 74 2HZ LYS 74 10.210 -8.243 -9.348 581 3HZ LYS 74 3HZ LYS 74 10.266 -8.140 -7.653 582 H GLY 75 H GLY 75 4.595 -7.364 -6.940 583 1HA GLY 75 2HA GLY 75 3.930 -8.019 -4.523 584 2HA GLY 75 1HA GLY 75 3.151 -6.437 -4.550 585 H GLU 76 H GLU 76 2.939 -7.236 -7.614 586 HA GLU 76 HA GLU 76 0.330 -7.525 -8.033 587 1HB GLU 76 2HB GLU 76 2.461 -9.258 -9.309 588 2HB GLU 76 1HB GLU 76 0.813 -9.108 -9.919 589 1HG GLU 76 2HG GLU 76 2.387 -6.613 -9.397 590 2HG GLU 76 1HG GLU 76 2.737 -7.548 -10.848 591 H LEU 77 H LEU 77 2.372 -10.278 -7.061 592 HA LEU 77 HA LEU 77 -0.070 -11.666 -6.118 593 1HB LEU 77 2HB LEU 77 1.059 -12.599 -8.246 594 2HB LEU 77 1HB LEU 77 2.361 -13.107 -7.172 595 HG LEU 77 HG LEU 77 -0.407 -13.789 -6.302 596 1HD1 LEU 77 1HD1 LEU 77 -0.536 -14.310 -8.693 597 2HD1 LEU 77 2HD1 LEU 77 -0.415 -15.807 -7.768 598 3HD1 LEU 77 3HD1 LEU 77 0.999 -15.171 -8.611 599 1HD2 LEU 77 1HD2 LEU 77 2.283 -15.199 -6.346 600 2HD2 LEU 77 2HD2 LEU 77 0.806 -15.926 -5.713 601 3HD2 LEU 77 3HD2 LEU 77 1.481 -14.489 -4.945 602 H GLY 78 H GLY 78 3.442 -11.298 -5.758 603 1HA GLY 78 2HA GLY 78 3.862 -12.868 -3.502 604 2HA GLY 78 1HA GLY 78 4.817 -11.454 -3.924 605 H ARG 79 H ARG 79 4.098 -12.381 -1.291 606 HA ARG 79 HA ARG 79 2.003 -10.873 -0.123 607 1HB ARG 79 2HB ARG 79 3.621 -11.132 1.973 608 2HB ARG 79 1HB ARG 79 2.737 -12.510 1.326 609 1HG ARG 79 2HG ARG 79 5.360 -11.981 0.051 610 2HG ARG 79 1HG ARG 79 5.423 -12.520 1.726 611 1HD ARG 79 2HD ARG 79 5.377 -14.288 -0.241 612 2HD ARG 79 1HD ARG 79 4.493 -14.590 1.248 613 HE ARG 79 HE ARG 79 3.191 -13.472 -1.173 614 1HH1 ARG 79 1HH2 ARG 79 2.866 -14.959 1.884 615 2HH1 ARG 79 2HH2 ARG 79 1.512 -15.940 1.437 616 1HH2 ARG 79 1HH1 ARG 79 1.604 -15.022 -1.903 617 2HH2 ARG 79 2HH1 ARG 79 0.792 -15.969 -0.702 618 H HIS 80 H HIS 80 5.341 -10.214 -0.886 619 HA HIS 80 HA HIS 80 5.546 -7.739 0.527 620 1HB HIS 80 2HB HIS 80 7.527 -9.037 -0.233 621 2HB HIS 80 1HB HIS 80 7.083 -8.701 -1.906 622 HD1 HIS 80 HD1 HIS 80 8.790 -7.237 1.020 623 HD2 HIS 80 HD2 HIS 80 7.226 -5.870 -2.590 624 HE1 HIS 80 HE1 HIS 80 9.735 -4.914 0.667 625 H LYS 81 H LYS 81 5.188 -5.636 -0.246 626 HA LYS 81 HA LYS 81 4.011 -5.383 -2.933 627 1HB LYS 81 2HB LYS 81 1.995 -5.444 -1.861 628 2HB LYS 81 1HB LYS 81 2.682 -4.969 -0.311 629 1HG LYS 81 2HG LYS 81 2.953 -2.640 -1.225 630 2HG LYS 81 1HG LYS 81 2.068 -3.161 -2.661 631 1HD LYS 81 2HD LYS 81 0.094 -3.622 -1.387 632 2HD LYS 81 1HD LYS 81 0.959 -3.466 0.144 633 1HE LYS 81 2HE LYS 81 0.983 -1.151 -1.747 634 2HE LYS 81 1HE LYS 81 -0.485 -1.449 -0.819 635 1HZ LYS 81 1HZ LYS 81 1.761 -0.140 0.041 636 2HZ LYS 81 2HZ LYS 81 1.848 -1.655 0.797 637 3HZ LYS 81 3HZ LYS 81 0.476 -0.675 1.006 638 H GLN 82 H GLN 82 4.309 -3.374 -3.903 639 HA GLN 82 HA GLN 82 5.550 -1.229 -2.357 640 1HB GLN 82 2HB GLN 82 6.954 -1.733 -4.918 641 2HB GLN 82 1HB GLN 82 7.583 -1.163 -3.373 642 1HG GLN 82 2HG GLN 82 7.436 -3.471 -2.484 643 2HG GLN 82 1HG GLN 82 6.867 -4.031 -4.053 644 1HE2 GLN 82 1HE2 GLN 82 9.574 -4.234 -2.338 645 2HE2 GLN 82 2HE2 GLN 82 10.752 -4.018 -3.542 646 H ILE 83 H ILE 83 3.423 -0.394 -2.801 647 HA ILE 83 HA ILE 83 2.705 0.148 -5.551 648 HB ILE 83 HB ILE 83 1.456 0.765 -2.878 649 1HG1 ILE 83 2HG1 ILE 83 0.383 -0.682 -5.321 650 2HG1 ILE 83 1HG1 ILE 83 1.258 -1.499 -4.026 651 1HG2 ILE 83 1HG2 ILE 83 0.945 2.748 -4.067 652 2HG2 ILE 83 2HG2 ILE 83 -0.451 1.711 -4.353 653 3HG2 ILE 83 3HG2 ILE 83 0.784 1.893 -5.599 654 1HD1 ILE 83 1HD1 ILE 83 -0.744 -1.726 -3.006 655 2HD1 ILE 83 2HD1 ILE 83 -1.514 -0.567 -4.090 656 3HD1 ILE 83 3HD1 ILE 83 -0.647 0.003 -2.664 657 H LYS 84 H LYS 84 2.735 2.089 -6.568 658 HA LYS 84 HA LYS 84 4.389 4.192 -5.310 659 1HB LYS 84 2HB LYS 84 4.760 2.862 -7.706 660 2HB LYS 84 1HB LYS 84 3.963 4.349 -8.214 661 1HG LYS 84 2HG LYS 84 6.125 4.677 -6.205 662 2HG LYS 84 1HG LYS 84 6.643 4.146 -7.803 663 1HD LYS 84 2HD LYS 84 6.689 6.531 -7.875 664 2HD LYS 84 1HD LYS 84 5.231 6.061 -8.749 665 1HE LYS 84 2HE LYS 84 3.844 6.957 -7.172 666 2HE LYS 84 1HE LYS 84 4.870 6.435 -5.838 667 1HZ LYS 84 1HZ LYS 84 6.452 8.247 -6.810 668 2HZ LYS 84 2HZ LYS 84 5.188 8.670 -5.763 669 3HZ LYS 84 3HZ LYS 84 5.012 8.881 -7.438 670 H ILE 85 H ILE 85 3.341 5.961 -4.722 671 HA ILE 85 HA ILE 85 0.736 6.553 -5.968 672 HB ILE 85 HB ILE 85 1.941 7.194 -3.274 673 1HG1 ILE 85 2HG1 ILE 85 -0.686 6.476 -2.936 674 2HG1 ILE 85 1HG1 ILE 85 -0.267 5.556 -4.380 675 1HG2 ILE 85 1HG2 ILE 85 -0.065 8.753 -4.836 676 2HG2 ILE 85 2HG2 ILE 85 1.052 9.291 -3.581 677 3HG2 ILE 85 3HG2 ILE 85 -0.438 8.461 -3.139 678 1HD1 ILE 85 1HD1 ILE 85 0.244 4.185 -2.451 679 2HD1 ILE 85 2HD1 ILE 85 1.160 5.494 -1.706 680 3HD1 ILE 85 3HD1 ILE 85 1.770 4.710 -3.162 681 H ILE 86 H ILE 86 1.376 7.687 -7.780 682 HA ILE 86 HA ILE 86 3.265 9.882 -7.580 683 HB ILE 86 HB ILE 86 1.458 9.128 -9.895 684 1HG1 ILE 86 2HG1 ILE 86 4.360 8.350 -9.485 685 2HG1 ILE 86 1HG1 ILE 86 3.017 7.281 -9.083 686 1HG2 ILE 86 1HG2 ILE 86 3.198 10.340 -11.208 687 2HG2 ILE 86 2HG2 ILE 86 3.997 10.776 -9.699 688 3HG2 ILE 86 3HG2 ILE 86 2.382 11.387 -10.050 689 1HD1 ILE 86 1HD1 ILE 86 2.401 6.985 -11.303 690 2HD1 ILE 86 2HD1 ILE 86 4.147 7.150 -11.471 691 3HD1 ILE 86 3HD1 ILE 86 3.096 8.525 -11.812 692 H ASN 87 H ASN 87 2.753 12.081 -7.693 693 HA ASN 87 HA ASN 87 1.489 13.961 -7.259 694 1HB ASN 87 2HB ASN 87 0.537 12.979 -9.526 695 2HB ASN 87 1HB ASN 87 -0.890 12.671 -8.543 696 1HD2 ASN 87 1HD2 ASN 87 -0.128 14.802 -10.727 697 2HD2 ASN 87 2HD2 ASN 87 -0.649 16.256 -10.024 698 HA PRO 88 HA PRO 88 -0.646 11.880 -3.732 699 1HB PRO 88 2HB PRO 88 0.795 13.625 -1.946 700 2HB PRO 88 1HB PRO 88 0.955 11.873 -2.135 701 1HG PRO 88 2HG PRO 88 2.858 13.749 -2.843 702 2HG PRO 88 1HG PRO 88 2.795 12.077 -3.415 703 1HD PRO 88 2HD PRO 88 2.007 14.578 -4.827 704 2HD PRO 88 1HD PRO 88 2.619 13.046 -5.492 705 H GLN 89 H GLN 89 -2.592 12.585 -3.113 706 HA GLN 89 HA GLN 89 -3.110 15.497 -3.053 707 1HB GLN 89 2HB GLN 89 -4.350 14.097 -4.768 708 2HB GLN 89 1HB GLN 89 -5.149 13.293 -3.417 709 1HG GLN 89 2HG GLN 89 -6.627 15.044 -4.053 710 2HG GLN 89 1HG GLN 89 -5.808 15.637 -2.610 711 1HE2 GLN 89 1HE2 GLN 89 -5.248 15.642 -6.183 712 2HE2 GLN 89 2HE2 GLN 89 -4.702 17.247 -6.235 713 H GLN 90 H GLN 90 -3.375 12.461 -1.346 714 HA GLN 90 HA GLN 90 -4.043 13.912 1.116 715 1HB GLN 90 2HB GLN 90 -6.206 13.148 0.310 716 2HB GLN 90 1HB GLN 90 -5.576 11.520 0.064 717 1HG GLN 90 2HG GLN 90 -5.173 11.270 2.462 718 2HG GLN 90 1HG GLN 90 -5.698 12.929 2.748 719 1HE2 GLN 90 1HE2 GLN 90 -8.016 13.050 1.128 720 2HE2 GLN 90 2HE2 GLN 90 -9.160 11.942 1.715 721 H ILE 91 H ILE 91 -2.423 13.426 2.442 722 HA ILE 91 HA ILE 91 -1.284 10.703 2.343 723 HB ILE 91 HB ILE 91 0.338 12.477 1.859 724 1HG1 ILE 91 2HG1 ILE 91 1.092 11.670 4.633 725 2HG1 ILE 91 1HG1 ILE 91 0.693 10.371 3.509 726 1HG2 ILE 91 1HG2 ILE 91 0.176 13.518 4.653 727 2HG2 ILE 91 2HG2 ILE 91 -1.046 14.074 3.512 728 3HG2 ILE 91 3HG2 ILE 91 0.662 14.342 3.172 729 1HD1 ILE 91 1HD1 ILE 91 3.092 10.852 3.405 730 2HD1 ILE 91 2HD1 ILE 91 2.753 12.549 3.051 731 3HD1 ILE 91 3HD1 ILE 91 2.323 11.298 1.880 732 HA PRO 92 HA PRO 92 -3.480 10.383 6.253 733 1HB PRO 92 2HB PRO 92 -2.598 7.644 6.436 734 2HB PRO 92 1HB PRO 92 -4.217 8.257 6.076 735 1HG PRO 92 2HG PRO 92 -2.465 6.979 4.308 736 2HG PRO 92 1HG PRO 92 -3.977 7.802 3.906 737 1HD PRO 92 2HD PRO 92 -1.221 8.678 3.432 738 2HD PRO 92 1HD PRO 92 -2.733 9.300 2.743 739 HA PRO 93 HA PRO 93 -0.302 10.609 9.282 740 1HB PRO 93 2HB PRO 93 -1.432 8.820 11.237 741 2HB PRO 93 1HB PRO 93 -1.508 10.586 11.192 742 1HG PRO 93 2HG PRO 93 -3.636 8.847 10.802 743 2HG PRO 93 1HG PRO 93 -3.605 10.567 10.398 744 1HD PRO 93 2HD PRO 93 -3.387 8.217 8.604 745 2HD PRO 93 1HD PRO 93 -3.937 9.868 8.244 746 H GLU 94 H GLU 94 -1.158 7.443 8.205 747 HA GLU 94 HA GLU 94 0.585 5.746 9.505 748 1HB GLU 94 2HB GLU 94 -0.541 5.859 6.745 749 2HB GLU 94 1HB GLU 94 0.740 4.692 7.074 750 1HG GLU 94 2HG GLU 94 -1.574 3.774 7.438 751 2HG GLU 94 1HG GLU 94 -0.545 3.685 8.866 752 H VAL 95 H VAL 95 1.280 7.416 6.432 753 HA VAL 95 HA VAL 95 4.102 6.835 6.612 754 HB VAL 95 HB VAL 95 2.433 8.492 4.707 755 1HG1 VAL 95 1HG1 VAL 95 5.419 8.021 4.815 756 2HG1 VAL 95 2HG1 VAL 95 4.560 9.552 4.650 757 3HG1 VAL 95 3HG1 VAL 95 4.592 8.411 3.305 758 1HG2 VAL 95 1HG2 VAL 95 4.017 5.990 4.130 759 2HG2 VAL 95 2HG2 VAL 95 2.662 6.666 3.226 760 3HG2 VAL 95 3HG2 VAL 95 2.385 5.897 4.789 761 H ALA 96 H ALA 96 1.971 9.420 7.501 762 HA ALA 96 HA ALA 96 3.987 11.464 7.660 763 1HB ALA 96 1HB ALA 96 2.259 12.845 8.100 764 2HB ALA 96 2HB ALA 96 1.639 11.808 9.386 765 3HB ALA 96 3HB ALA 96 1.238 11.462 7.704 766 H ALA 97 H ALA 97 2.783 9.002 9.818 767 HA ALA 97 HA ALA 97 3.708 10.103 12.255 768 1HB ALA 97 1HB ALA 97 3.405 7.175 11.565 769 2HB ALA 97 2HB ALA 97 2.079 8.222 12.068 770 3HB ALA 97 3HB ALA 97 3.408 7.890 13.176 771 H LEU 98 H LEU 98 5.360 8.577 9.632 772 HA LEU 98 HA LEU 98 7.803 8.401 11.291 773 1HB LEU 98 2HB LEU 98 8.586 6.609 9.923 774 2HB LEU 98 1HB LEU 98 6.924 6.226 10.365 775 HG LEU 98 HG LEU 98 6.584 7.665 8.036 776 1HD1 LEU 98 1HD1 LEU 98 8.816 5.752 7.409 777 2HD1 LEU 98 2HD1 LEU 98 9.198 7.403 7.899 778 3HD1 LEU 98 3HD1 LEU 98 8.220 7.114 6.461 779 1HD2 LEU 98 1HD2 LEU 98 6.133 5.440 7.021 780 2HD2 LEU 98 2HD2 LEU 98 5.444 5.577 8.638 781 3HD2 LEU 98 3HD2 LEU 98 6.937 4.674 8.391 782 H ILE 99 H ILE 99 6.302 10.131 8.844 783 HA ILE 99 HA ILE 99 8.866 10.929 7.614 784 HB ILE 99 HB ILE 99 5.990 11.218 6.715 785 1HG1 ILE 99 2HG1 ILE 99 7.145 9.084 6.226 786 2HG1 ILE 99 1HG1 ILE 99 6.846 9.991 4.744 787 1HG2 ILE 99 1HG2 ILE 99 6.885 13.326 6.131 788 2HG2 ILE 99 2HG2 ILE 99 7.119 12.355 4.679 789 3HG2 ILE 99 3HG2 ILE 99 8.473 12.654 5.768 790 1HD1 ILE 99 1HD1 ILE 99 9.059 9.527 4.376 791 2HD1 ILE 99 2HD1 ILE 99 9.417 9.355 6.095 792 3HD1 ILE 99 3HD1 ILE 99 9.292 10.962 5.376 793 H ASN 100 H ASN 100 5.885 12.295 9.018 794 HA ASN 100 HA ASN 100 7.076 14.940 9.179 795 1HB ASN 100 2HB ASN 100 4.398 13.779 9.912 796 2HB ASN 100 1HB ASN 100 4.867 15.384 10.470 797 1HD2 ASN 100 1HD2 ASN 100 4.578 17.087 9.008 798 2HD2 ASN 100 2HD2 ASN 100 4.245 16.886 7.356 799 H LEU 101 H LEU 101 7.124 12.130 11.028 800 HA LEU 101 HA LEU 101 7.785 11.620 13.164 801 1HB LEU 101 2HB LEU 101 9.749 13.015 12.193 802 2HB LEU 101 1HB LEU 101 9.170 14.290 13.267 803 HG LEU 101 HG LEU 101 9.142 12.228 15.003 804 1HD1 LEU 101 1HD1 LEU 101 9.976 10.605 13.358 805 2HD1 LEU 101 2HD1 LEU 101 11.174 10.853 14.627 806 3HD1 LEU 101 3HD1 LEU 101 11.387 11.618 13.053 807 1HD2 LEU 101 1HD2 LEU 101 10.297 14.332 15.398 808 2HD2 LEU 101 2HD2 LEU 101 11.538 13.916 14.215 809 3HD2 LEU 101 3HD2 LEU 101 11.415 13.009 15.722 810 H GLU 102 H GLU 102 5.479 11.944 13.710 811 HA GLU 102 HA GLU 102 4.871 14.348 15.267 812 1HB GLU 102 2HB GLU 102 3.221 11.992 14.345 813 2HB GLU 102 1HB GLU 102 2.597 13.211 15.456 814 1HG GLU 102 2HG GLU 102 2.849 14.954 13.847 815 2HG GLU 102 1HG GLU 102 3.848 13.945 12.804 816 H HIS 103 H HIS 103 6.221 11.323 15.757 817 HA HIS 103 HA HIS 103 5.114 10.719 18.340 818 1HB HIS 103 2HB HIS 103 6.034 8.977 16.854 819 2HB HIS 103 1HB HIS 103 7.632 9.703 17.012 820 HD1 HIS 103 HD1 HIS 103 9.028 8.784 18.861 821 HD2 HIS 103 HD2 HIS 103 4.963 8.220 19.588 822 HE1 HIS 103 HE1 HIS 103 8.863 7.466 21.016 823 H HIS 104 H HIS 104 5.390 12.490 19.677 824 HA HIS 104 HA HIS 104 7.911 12.687 21.011 825 1HB HIS 104 2HB HIS 104 8.283 14.108 18.935 826 2HB HIS 104 1HB HIS 104 7.045 15.197 19.561 827 HD1 HIS 104 HD1 HIS 104 10.558 14.915 19.535 828 HD2 HIS 104 HD2 HIS 104 7.806 15.767 22.549 829 HE1 HIS 104 HE1 HIS 104 11.852 16.067 21.384 830 H HIS 105 H HIS 105 5.184 14.895 20.338 831 HA HIS 105 HA HIS 105 4.876 15.504 23.150 832 1HB HIS 105 2HB HIS 105 3.311 16.320 20.692 833 2HB HIS 105 1HB HIS 105 2.942 16.886 22.321 834 HD1 HIS 105 HD1 HIS 105 4.904 17.762 19.435 835 HD2 HIS 105 HD2 HIS 105 5.416 18.158 23.553 836 HE1 HIS 105 HE1 HIS 105 6.703 19.513 19.769 837 H HIS 106 H HIS 106 4.384 12.721 22.048 838 HA HIS 106 HA HIS 106 2.901 10.987 22.307 839 1HB HIS 106 2HB HIS 106 1.951 12.724 24.603 840 2HB HIS 106 1HB HIS 106 1.624 11.004 24.413 841 HD1 HIS 106 HD1 HIS 106 3.620 12.857 26.467 842 HD2 HIS 106 HD2 HIS 106 4.591 9.857 23.740 843 HE1 HIS 106 HE1 HIS 106 5.866 11.936 27.187 844 H HIS 107 H HIS 107 0.182 11.480 23.576 845 HA HIS 107 HA HIS 107 -1.159 12.527 21.155 846 1HB HIS 107 2HB HIS 107 -3.099 11.060 22.010 847 2HB HIS 107 1HB HIS 107 -1.720 10.239 21.281 848 HD1 HIS 107 HD1 HIS 107 -1.509 11.651 24.758 849 HD2 HIS 107 HD2 HIS 107 -2.005 7.936 22.934 850 HE1 HIS 107 HE1 HIS 107 -1.232 9.916 26.581 851 H HIS 108 H HIS 108 -3.357 13.423 21.581 852 HA HIS 108 HA HIS 108 -3.213 15.329 23.769 853 1HB HIS 108 2HB HIS 108 -5.467 16.060 22.721 854 2HB HIS 108 1HB HIS 108 -3.994 16.314 21.786 855 HD1 HIS 108 HD1 HIS 108 -3.469 14.439 19.924 856 HD2 HIS 108 HD2 HIS 108 -7.333 14.391 21.488 857 HE1 HIS 108 HE1 HIS 108 -4.869 13.056 18.330 Start of MODEL 3 1 HA MET 1 HA MET 1 18.053 2.926 14.857 2 1HB MET 1 2HB MET 1 19.344 1.248 17.032 3 2HB MET 1 1HB MET 1 20.035 2.727 16.363 4 1HG MET 1 2HG MET 1 17.283 2.596 17.623 5 2HG MET 1 1HG MET 1 18.738 3.062 18.506 6 1HE MET 1 1HE MET 1 16.120 4.749 18.221 7 2HE MET 1 2HE MET 1 16.734 6.378 17.944 8 3HE MET 1 3HE MET 1 17.518 5.339 19.132 9 H ASP 2 H ASP 2 18.345 -0.503 14.715 10 HA ASP 2 HA ASP 2 19.974 -0.327 12.327 11 1HB ASP 2 2HB ASP 2 21.758 -0.326 13.954 12 2HB ASP 2 1HB ASP 2 21.023 -1.670 14.827 13 H GLY 3 H GLY 3 18.770 -1.538 11.024 14 1HA GLY 3 2HA GLY 3 18.601 -4.216 10.902 15 2HA GLY 3 1HA GLY 3 17.283 -3.835 12.007 16 H VAL 4 H VAL 4 18.374 -1.876 9.279 17 HA VAL 4 HA VAL 4 17.251 -1.037 7.465 18 HB VAL 4 HB VAL 4 15.928 -3.761 7.381 19 1HG1 VAL 4 1HG1 VAL 4 16.182 -3.241 4.867 20 2HG1 VAL 4 2HG1 VAL 4 16.495 -1.579 5.365 21 3HG1 VAL 4 3HG1 VAL 4 14.949 -2.337 5.747 22 1HG2 VAL 4 1HG2 VAL 4 18.387 -3.967 7.648 23 2HG2 VAL 4 2HG2 VAL 4 18.618 -2.883 6.277 24 3HG2 VAL 4 3HG2 VAL 4 17.870 -4.461 6.036 25 H MET 5 H MET 5 16.136 0.372 9.029 26 HA MET 5 HA MET 5 13.394 -0.293 9.738 27 1HB MET 5 2HB MET 5 15.272 1.326 10.887 28 2HB MET 5 1HB MET 5 14.305 2.499 9.990 29 1HG MET 5 2HG MET 5 12.247 1.518 11.038 30 2HG MET 5 1HG MET 5 13.286 0.500 12.031 31 1HE MET 5 1HE MET 5 11.651 1.571 13.739 32 2HE MET 5 2HE MET 5 11.039 2.990 12.893 33 3HE MET 5 3HE MET 5 11.840 3.182 14.449 34 H SER 6 H SER 6 13.030 -0.582 7.253 35 HA SER 6 HA SER 6 12.324 2.024 6.128 36 1HB SER 6 2HB SER 6 12.757 -0.540 4.583 37 2HB SER 6 1HB SER 6 12.638 1.097 3.943 38 HG SER 6 HG SER 6 14.571 1.587 5.023 39 H ALA 7 H ALA 7 10.690 1.231 4.172 40 HA ALA 7 HA ALA 7 8.709 -0.519 4.215 41 1HB ALA 7 1HB ALA 7 8.337 1.322 6.557 42 2HB ALA 7 2HB ALA 7 8.050 -0.416 6.449 43 3HB ALA 7 3HB ALA 7 6.928 0.713 5.690 44 H VAL 8 H VAL 8 9.699 2.745 4.047 45 HA VAL 8 HA VAL 8 8.012 3.184 1.747 46 HB VAL 8 HB VAL 8 6.424 3.957 3.326 47 1HG1 VAL 8 1HG1 VAL 8 7.135 5.587 5.152 48 2HG1 VAL 8 2HG1 VAL 8 8.802 5.180 4.745 49 3HG1 VAL 8 3HG1 VAL 8 7.710 3.932 5.344 50 1HG2 VAL 8 1HG2 VAL 8 6.205 6.266 2.830 51 2HG2 VAL 8 2HG2 VAL 8 7.134 5.627 1.478 52 3HG2 VAL 8 3HG2 VAL 8 7.951 6.507 2.767 53 H THR 9 H THR 9 8.631 5.022 0.506 54 HA THR 9 HA THR 9 11.161 6.320 1.273 55 HB THR 9 HB THR 9 10.696 4.460 -0.984 56 HG1 THR 9 HG1 THR 9 13.046 4.395 -0.672 57 1HG2 THR 9 1HG2 THR 9 12.200 7.072 -1.316 58 2HG2 THR 9 2HG2 THR 9 10.855 6.482 -2.294 59 3HG2 THR 9 3HG2 THR 9 12.420 5.677 -2.372 60 H VAL 10 H VAL 10 11.400 8.397 0.504 61 HA VAL 10 HA VAL 10 9.065 9.544 -0.889 62 HB VAL 10 HB VAL 10 9.922 11.718 0.215 63 1HG1 VAL 10 1HG1 VAL 10 7.854 10.662 0.912 64 2HG1 VAL 10 2HG1 VAL 10 8.751 11.128 2.356 65 3HG1 VAL 10 3HG1 VAL 10 8.737 9.445 1.832 66 1HG2 VAL 10 1HG2 VAL 10 11.309 9.635 1.942 67 2HG2 VAL 10 2HG2 VAL 10 11.165 11.349 2.329 68 3HG2 VAL 10 3HG2 VAL 10 12.113 10.839 0.934 69 H ASN 11 H ASN 11 9.611 9.681 -2.969 70 HA ASN 11 HA ASN 11 12.317 10.480 -3.754 71 1HB ASN 11 2HB ASN 11 10.042 9.916 -5.646 72 2HB ASN 11 1HB ASN 11 11.773 9.734 -5.919 73 1HD2 ASN 11 1HD2 ASN 11 9.002 7.955 -5.321 74 2HD2 ASN 11 2HD2 ASN 11 9.715 6.573 -4.637 75 H ASP 12 H ASP 12 11.455 11.676 -6.240 76 HA ASP 12 HA ASP 12 10.571 14.312 -5.230 77 1HB ASP 12 2HB ASP 12 12.226 13.557 -7.656 78 2HB ASP 12 1HB ASP 12 11.655 15.191 -7.315 79 H ASP 13 H ASP 13 9.356 11.659 -6.501 80 HA ASP 13 HA ASP 13 7.558 13.024 -8.412 81 1HB ASP 13 2HB ASP 13 8.929 11.202 -9.362 82 2HB ASP 13 1HB ASP 13 8.269 10.091 -8.169 83 H GLY 14 H GLY 14 7.798 11.281 -5.435 84 1HA GLY 14 2HA GLY 14 5.367 11.951 -4.376 85 2HA GLY 14 1HA GLY 14 5.045 10.469 -5.271 86 H LEU 15 H LEU 15 5.037 8.756 -3.972 87 HA LEU 15 HA LEU 15 7.267 8.317 -2.138 88 1HB LEU 15 2HB LEU 15 5.467 7.652 -0.359 89 2HB LEU 15 1HB LEU 15 5.946 9.340 -0.523 90 HG LEU 15 HG LEU 15 3.800 8.688 -2.374 91 1HD1 LEU 15 1HD1 LEU 15 3.278 7.009 -0.590 92 2HD1 LEU 15 2HD1 LEU 15 2.039 8.252 -0.752 93 3HD1 LEU 15 3HD1 LEU 15 3.195 8.331 0.577 94 1HD2 LEU 15 1HD2 LEU 15 2.796 10.664 -1.358 95 2HD2 LEU 15 2HD2 LEU 15 4.520 10.961 -1.585 96 3HD2 LEU 15 3HD2 LEU 15 3.896 10.559 0.016 97 H VAL 16 H VAL 16 7.460 6.162 -1.411 98 HA VAL 16 HA VAL 16 5.950 4.207 -3.036 99 HB VAL 16 HB VAL 16 8.714 3.972 -1.814 100 1HG1 VAL 16 1HG1 VAL 16 8.753 1.919 -3.350 101 2HG1 VAL 16 2HG1 VAL 16 7.001 2.098 -3.463 102 3HG1 VAL 16 3HG1 VAL 16 7.758 1.786 -1.900 103 1HG2 VAL 16 1HG2 VAL 16 9.595 4.455 -3.910 104 2HG2 VAL 16 2HG2 VAL 16 8.169 5.491 -3.932 105 3HG2 VAL 16 3HG2 VAL 16 8.140 3.933 -4.758 106 H LEU 17 H LEU 17 4.755 2.697 -1.994 107 HA LEU 17 HA LEU 17 4.936 2.602 0.954 108 1HB LEU 17 2HB LEU 17 2.776 3.361 0.337 109 2HB LEU 17 1HB LEU 17 2.642 2.176 -0.959 110 HG LEU 17 HG LEU 17 2.447 0.359 0.616 111 1HD1 LEU 17 1HD1 LEU 17 2.347 1.062 3.138 112 2HD1 LEU 17 2HD1 LEU 17 3.278 2.463 2.609 113 3HD1 LEU 17 3HD1 LEU 17 3.922 0.836 2.380 114 1HD2 LEU 17 1HD2 LEU 17 0.748 2.784 1.177 115 2HD2 LEU 17 2HD2 LEU 17 0.481 1.283 2.062 116 3HD2 LEU 17 3HD2 LEU 17 0.324 1.310 0.307 117 H ARG 18 H ARG 18 6.290 0.979 1.419 118 HA ARG 18 HA ARG 18 5.984 -1.622 0.053 119 1HB ARG 18 2HB ARG 18 8.221 -0.147 1.317 120 2HB ARG 18 1HB ARG 18 8.206 -1.885 1.582 121 1HG ARG 18 2HG ARG 18 8.182 -2.316 -0.794 122 2HG ARG 18 1HG ARG 18 7.942 -0.603 -1.146 123 1HD ARG 18 2HD ARG 18 10.136 -0.125 -0.038 124 2HD ARG 18 1HD ARG 18 10.383 -1.861 0.131 125 HE ARG 18 HE ARG 18 9.927 -1.610 -2.520 126 1HH1 ARG 18 1HH1 ARG 18 12.696 -1.877 -1.079 127 2HH1 ARG 18 2HH1 ARG 18 13.587 -0.643 -1.906 128 1HH2 ARG 18 1HH2 ARG 18 10.766 0.850 -3.264 129 2HH2 ARG 18 2HH2 ARG 18 12.492 0.902 -3.144 130 H LEU 19 H LEU 19 4.812 -3.126 1.079 131 HA LEU 19 HA LEU 19 5.096 -3.429 3.970 132 1HB LEU 19 2HB LEU 19 2.734 -3.383 4.437 133 2HB LEU 19 1HB LEU 19 3.172 -1.875 3.641 134 HG LEU 19 HG LEU 19 2.521 -3.326 1.465 135 1HD1 LEU 19 1HD1 LEU 19 0.228 -4.414 2.390 136 2HD1 LEU 19 2HD1 LEU 19 1.246 -4.668 3.809 137 3HD1 LEU 19 3HD1 LEU 19 1.722 -5.343 2.252 138 1HD2 LEU 19 1HD2 LEU 19 1.112 -1.459 3.255 139 2HD2 LEU 19 2HD2 LEU 19 0.031 -2.426 2.252 140 3HD2 LEU 19 3HD2 LEU 19 1.275 -1.425 1.500 141 H TYR 20 H TYR 20 3.530 -5.309 4.659 142 HA TYR 20 HA TYR 20 4.000 -7.556 2.795 143 1HB TYR 20 2HB TYR 20 5.208 -7.467 5.052 144 2HB TYR 20 1HB TYR 20 3.633 -7.730 5.787 145 HD1 TYR 20 HD1 TYR 20 2.876 -9.905 6.118 146 HD2 TYR 20 HD2 TYR 20 5.890 -9.156 3.149 147 HE1 TYR 20 HE1 TYR 20 3.136 -12.342 5.771 148 HE2 TYR 20 HE2 TYR 20 6.142 -11.598 2.793 149 HH TYR 20 HH TYR 20 4.091 -13.931 4.528 150 H ILE 21 H ILE 21 2.121 -7.898 1.747 151 HA ILE 21 HA ILE 21 -0.442 -7.389 2.947 152 HB ILE 21 HB ILE 21 0.530 -8.427 0.310 153 1HG1 ILE 21 2HG1 ILE 21 0.157 -5.961 0.928 154 2HG1 ILE 21 1HG1 ILE 21 -0.622 -6.528 -0.547 155 1HG2 ILE 21 1HG2 ILE 21 -2.217 -8.832 1.488 156 2HG2 ILE 21 2HG2 ILE 21 -1.222 -9.974 0.585 157 3HG2 ILE 21 3HG2 ILE 21 -2.003 -8.633 -0.252 158 1HD1 ILE 21 1HD1 ILE 21 -1.962 -5.148 1.324 159 2HD1 ILE 21 2HD1 ILE 21 -2.183 -6.768 1.983 160 3HD1 ILE 21 3HD1 ILE 21 -2.735 -6.397 0.351 161 H GLN 22 H GLN 22 -1.817 -8.752 3.885 162 HA GLN 22 HA GLN 22 -1.130 -11.629 3.975 163 1HB GLN 22 2HB GLN 22 -1.233 -9.820 6.138 164 2HB GLN 22 1HB GLN 22 -2.709 -10.777 6.249 165 1HG GLN 22 2HG GLN 22 0.036 -12.000 5.865 166 2HG GLN 22 1HG GLN 22 -0.705 -11.763 7.446 167 1HE2 GLN 22 1HE2 GLN 22 -1.618 -13.685 8.159 168 2HE2 GLN 22 2HE2 GLN 22 -2.436 -14.801 7.174 169 HA PRO 23 HA PRO 23 -5.255 -11.190 2.092 170 1HB PRO 23 2HB PRO 23 -4.762 -13.651 0.681 171 2HB PRO 23 1HB PRO 23 -4.853 -12.008 0.031 172 1HG PRO 23 2HG PRO 23 -2.570 -13.572 0.193 173 2HG PRO 23 1HG PRO 23 -2.620 -11.824 -0.074 174 1HD PRO 23 2HD PRO 23 -1.946 -13.326 2.396 175 2HD PRO 23 1HD PRO 23 -1.443 -11.701 1.885 176 H LYS 24 H LYS 24 -7.179 -12.344 2.304 177 HA LYS 24 HA LYS 24 -8.677 -13.863 3.141 178 1HB LYS 24 2HB LYS 24 -6.324 -15.530 4.052 179 2HB LYS 24 1HB LYS 24 -7.992 -16.055 3.847 180 1HG LYS 24 2HG LYS 24 -7.857 -15.647 1.434 181 2HG LYS 24 1HG LYS 24 -6.211 -15.046 1.608 182 1HD LYS 24 2HD LYS 24 -7.087 -17.845 2.384 183 2HD LYS 24 1HD LYS 24 -6.319 -17.437 0.850 184 1HE LYS 24 2HE LYS 24 -4.402 -17.938 1.996 185 2HE LYS 24 1HE LYS 24 -4.566 -16.277 2.567 186 1HZ LYS 24 1HZ LYS 24 -6.152 -17.591 4.273 187 2HZ LYS 24 2HZ LYS 24 -4.516 -17.241 4.572 188 3HZ LYS 24 3HZ LYS 24 -4.967 -18.770 3.982 189 H ALA 25 H ALA 25 -7.953 -11.597 4.643 190 HA ALA 25 HA ALA 25 -7.784 -12.577 7.401 191 1HB ALA 25 1HB ALA 25 -7.919 -9.676 6.855 192 2HB ALA 25 2HB ALA 25 -6.503 -10.493 6.190 193 3HB ALA 25 3HB ALA 25 -6.839 -10.574 7.923 194 H SER 26 H SER 26 -9.306 -11.375 8.921 195 HA SER 26 HA SER 26 -11.976 -11.835 8.119 196 1HB SER 26 2HB SER 26 -12.603 -10.781 10.231 197 2HB SER 26 1HB SER 26 -11.224 -11.846 10.485 198 HG SER 26 HG SER 26 -10.304 -9.460 9.788 199 H ARG 27 H ARG 27 -9.846 -9.191 7.635 200 HA ARG 27 HA ARG 27 -11.623 -7.794 5.936 201 1HB ARG 27 2HB ARG 27 -11.969 -5.740 7.301 202 2HB ARG 27 1HB ARG 27 -12.814 -7.140 7.955 203 1HG ARG 27 2HG ARG 27 -10.608 -7.458 9.362 204 2HG ARG 27 1HG ARG 27 -10.361 -5.752 8.999 205 1HD ARG 27 2HD ARG 27 -12.469 -7.050 10.672 206 2HD ARG 27 1HD ARG 27 -11.580 -5.557 10.952 207 HE ARG 27 HE ARG 27 -13.031 -4.689 8.993 208 1HH1 ARG 27 1HH1 ARG 27 -14.347 -7.592 9.753 209 2HH1 ARG 27 2HH1 ARG 27 -15.868 -7.007 10.338 210 1HH2 ARG 27 1HH2 ARG 27 -14.850 -3.689 10.426 211 2HH2 ARG 27 2HH2 ARG 27 -16.153 -4.792 10.723 212 H ASP 28 H ASP 28 -10.717 -5.546 5.397 213 HA ASP 28 HA ASP 28 -7.834 -5.780 5.158 214 1HB ASP 28 2HB ASP 28 -8.948 -3.264 4.257 215 2HB ASP 28 1HB ASP 28 -8.025 -4.464 3.367 216 H SER 29 H SER 29 -7.144 -5.532 7.228 217 HA SER 29 HA SER 29 -7.362 -2.813 8.360 218 1HB SER 29 2HB SER 29 -7.777 -5.455 9.712 219 2HB SER 29 1HB SER 29 -7.152 -4.090 10.630 220 HG SER 29 HG SER 29 -9.113 -3.375 10.681 221 H ILE 30 H ILE 30 -5.568 -1.964 9.300 222 HA ILE 30 HA ILE 30 -3.023 -3.320 8.756 223 HB ILE 30 HB ILE 30 -2.407 -0.830 9.798 224 1HG1 ILE 30 2HG1 ILE 30 -5.000 -0.661 8.215 225 2HG1 ILE 30 1HG1 ILE 30 -4.740 -0.121 9.873 226 1HG2 ILE 30 1HG2 ILE 30 -1.592 -2.022 7.708 227 2HG2 ILE 30 2HG2 ILE 30 -1.812 -0.282 7.539 228 3HG2 ILE 30 3HG2 ILE 30 -3.018 -1.389 6.885 229 1HD1 ILE 30 1HD1 ILE 30 -3.834 1.124 7.303 230 2HD1 ILE 30 2HD1 ILE 30 -2.835 1.344 8.741 231 3HD1 ILE 30 3HD1 ILE 30 -4.511 1.890 8.740 232 H VAL 31 H VAL 31 -3.553 -4.869 10.489 233 HA VAL 31 HA VAL 31 -3.206 -3.828 13.217 234 HB VAL 31 HB VAL 31 -3.882 -6.685 12.698 235 1HG1 VAL 31 1HG1 VAL 31 -5.052 -6.461 14.755 236 2HG1 VAL 31 2HG1 VAL 31 -5.095 -4.702 14.631 237 3HG1 VAL 31 3HG1 VAL 31 -3.574 -5.525 14.979 238 1HG2 VAL 31 1HG2 VAL 31 -5.736 -4.326 12.256 239 2HG2 VAL 31 2HG2 VAL 31 -6.309 -5.969 12.538 240 3HG2 VAL 31 3HG2 VAL 31 -5.346 -5.606 11.107 241 H GLY 32 H GLY 32 -0.984 -4.431 11.120 242 1HA GLY 32 2HA GLY 32 0.724 -5.878 13.030 243 2HA GLY 32 1HA GLY 32 0.603 -6.502 11.388 244 H LEU 33 H LEU 33 0.489 -3.156 12.308 245 HA LEU 33 HA LEU 33 2.503 -2.389 10.442 246 1HB LEU 33 2HB LEU 33 1.069 -0.940 12.669 247 2HB LEU 33 1HB LEU 33 2.164 -0.144 11.536 248 HG LEU 33 HG LEU 33 -0.487 -1.482 10.980 249 1HD1 LEU 33 1HD1 LEU 33 -0.630 0.758 9.627 250 2HD1 LEU 33 2HD1 LEU 33 0.718 1.254 10.651 251 3HD1 LEU 33 3HD1 LEU 33 -0.823 0.797 11.379 252 1HD2 LEU 33 1HD2 LEU 33 0.190 -0.894 8.513 253 2HD2 LEU 33 2HD2 LEU 33 0.768 -2.403 9.222 254 3HD2 LEU 33 3HD2 LEU 33 1.839 -1.003 9.129 255 H HIS 34 H HIS 34 4.620 -2.492 10.717 256 HA HIS 34 HA HIS 34 5.686 -2.677 13.455 257 1HB HIS 34 2HB HIS 34 6.015 -4.634 11.926 258 2HB HIS 34 1HB HIS 34 6.987 -3.595 10.892 259 HD1 HIS 34 HD1 HIS 34 7.184 -3.196 14.612 260 HD2 HIS 34 HD2 HIS 34 9.372 -5.031 11.576 261 HE1 HIS 34 HE1 HIS 34 9.405 -3.859 15.630 262 H GLY 35 H GLY 35 7.852 -1.768 13.811 263 1HA GLY 35 2HA GLY 35 7.979 0.951 12.919 264 2HA GLY 35 1HA GLY 35 9.151 0.135 13.952 265 H ASP 36 H ASP 36 9.466 -2.061 11.982 266 HA ASP 36 HA ASP 36 11.203 -0.633 10.060 267 1HB ASP 36 2HB ASP 36 11.428 -3.489 11.033 268 2HB ASP 36 1HB ASP 36 12.554 -2.652 9.970 269 H GLU 37 H GLU 37 8.352 -2.419 10.353 270 HA GLU 37 HA GLU 37 8.271 -2.823 7.441 271 1HB GLU 37 2HB GLU 37 7.458 -5.025 9.348 272 2HB GLU 37 1HB GLU 37 7.538 -5.099 7.590 273 1HG GLU 37 2HG GLU 37 10.030 -4.580 7.817 274 2HG GLU 37 1HG GLU 37 9.840 -4.888 9.540 275 H VAL 38 H VAL 38 5.931 -3.835 6.976 276 HA VAL 38 HA VAL 38 3.904 -2.586 8.689 277 HB VAL 38 HB VAL 38 4.319 -1.963 5.755 278 1HG1 VAL 38 1HG1 VAL 38 1.845 -2.293 7.173 279 2HG1 VAL 38 2HG1 VAL 38 2.088 -1.738 5.517 280 3HG1 VAL 38 3HG1 VAL 38 2.071 -0.577 6.842 281 1HG2 VAL 38 1HG2 VAL 38 4.151 -0.297 8.283 282 2HG2 VAL 38 2HG2 VAL 38 4.147 0.390 6.657 283 3HG2 VAL 38 3HG2 VAL 38 5.554 -0.503 7.234 284 H LYS 39 H LYS 39 2.574 -4.250 9.137 285 HA LYS 39 HA LYS 39 2.069 -6.181 6.963 286 1HB LYS 39 2HB LYS 39 3.052 -6.719 9.457 287 2HB LYS 39 1HB LYS 39 1.322 -6.995 9.679 288 1HG LYS 39 2HG LYS 39 1.559 -8.238 7.355 289 2HG LYS 39 1HG LYS 39 3.243 -8.381 7.854 290 1HD LYS 39 2HD LYS 39 1.887 -10.351 8.555 291 2HD LYS 39 1HD LYS 39 2.561 -9.489 9.935 292 1HE LYS 39 2HE LYS 39 -0.063 -8.456 9.123 293 2HE LYS 39 1HE LYS 39 -0.112 -10.153 9.598 294 1HZ LYS 39 1HZ LYS 39 1.406 -8.300 11.277 295 2HZ LYS 39 2HZ LYS 39 0.523 -9.684 11.712 296 3HZ LYS 39 3HZ LYS 39 -0.286 -8.234 11.359 297 H VAL 40 H VAL 40 0.178 -6.025 6.046 298 HA VAL 40 HA VAL 40 -2.131 -5.122 7.658 299 HB VAL 40 HB VAL 40 -1.325 -3.454 5.933 300 1HG1 VAL 40 1HG1 VAL 40 -2.492 -5.355 3.902 301 2HG1 VAL 40 2HG1 VAL 40 -0.772 -5.377 4.288 302 3HG1 VAL 40 3HG1 VAL 40 -1.508 -3.918 3.627 303 1HG2 VAL 40 1HG2 VAL 40 -3.569 -2.949 5.147 304 2HG2 VAL 40 2HG2 VAL 40 -3.691 -3.589 6.784 305 3HG2 VAL 40 3HG2 VAL 40 -4.080 -4.617 5.406 306 H ALA 41 H ALA 41 -3.878 -6.428 7.631 307 HA ALA 41 HA ALA 41 -3.720 -8.835 5.945 308 1HB ALA 41 1HB ALA 41 -4.220 -8.724 8.578 309 2HB ALA 41 2HB ALA 41 -4.934 -9.955 7.534 310 3HB ALA 41 3HB ALA 41 -5.870 -8.529 7.983 311 H ILE 42 H ILE 42 -4.979 -9.033 4.219 312 HA ILE 42 HA ILE 42 -7.290 -7.202 3.961 313 HB ILE 42 HB ILE 42 -5.404 -6.741 2.373 314 1HG1 ILE 42 2HG1 ILE 42 -7.810 -7.895 0.929 315 2HG1 ILE 42 1HG1 ILE 42 -7.874 -6.381 1.828 316 1HG2 ILE 42 1HG2 ILE 42 -6.097 -9.460 1.220 317 2HG2 ILE 42 2HG2 ILE 42 -4.680 -9.151 2.223 318 3HG2 ILE 42 3HG2 ILE 42 -4.843 -8.352 0.661 319 1HD1 ILE 42 1HD1 ILE 42 -7.033 -6.724 -0.833 320 2HD1 ILE 42 2HD1 ILE 42 -5.559 -6.417 0.086 321 3HD1 ILE 42 3HD1 ILE 42 -6.893 -5.263 0.144 322 H THR 43 H THR 43 -9.189 -8.035 3.174 323 HA THR 43 HA THR 43 -9.535 -10.895 3.589 324 HB THR 43 HB THR 43 -11.123 -9.303 4.589 325 HG1 THR 43 HG1 THR 43 -12.345 -10.791 2.518 326 1HG2 THR 43 1HG2 THR 43 -12.367 -7.774 3.384 327 2HG2 THR 43 2HG2 THR 43 -12.295 -8.725 1.900 328 3HG2 THR 43 3HG2 THR 43 -10.892 -7.792 2.418 329 H ALA 44 H ALA 44 -8.146 -9.728 1.179 330 HA ALA 44 HA ALA 44 -9.921 -10.683 -0.960 331 1HB ALA 44 1HB ALA 44 -8.801 -8.453 -1.185 332 2HB ALA 44 2HB ALA 44 -8.426 -9.575 -2.494 333 3HB ALA 44 3HB ALA 44 -7.250 -9.291 -1.211 334 HA PRO 45 HA PRO 45 -7.861 -14.556 -1.320 335 1HB PRO 45 2HB PRO 45 -7.944 -14.515 -4.202 336 2HB PRO 45 1HB PRO 45 -8.970 -15.427 -3.086 337 1HG PRO 45 2HG PRO 45 -9.602 -13.107 -4.621 338 2HG PRO 45 1HG PRO 45 -10.658 -14.070 -3.589 339 1HD PRO 45 2HD PRO 45 -9.721 -11.444 -3.075 340 2HD PRO 45 1HD PRO 45 -10.612 -12.495 -1.962 341 HA PRO 46 HA PRO 46 -3.655 -13.734 -2.416 342 1HB PRO 46 2HB PRO 46 -3.083 -16.407 -3.342 343 2HB PRO 46 1HB PRO 46 -2.738 -15.698 -1.758 344 1HG PRO 46 2HG PRO 46 -4.567 -17.702 -2.247 345 2HG PRO 46 1HG PRO 46 -4.540 -16.664 -0.814 346 1HD PRO 46 2HD PRO 46 -6.311 -16.516 -3.216 347 2HD PRO 46 1HD PRO 46 -6.656 -16.082 -1.526 348 H VAL 47 H VAL 47 -5.867 -13.988 -4.727 349 HA VAL 47 HA VAL 47 -4.050 -14.359 -7.003 350 HB VAL 47 HB VAL 47 -6.340 -15.430 -6.954 351 1HG1 VAL 47 1HG1 VAL 47 -7.279 -13.110 -6.023 352 2HG1 VAL 47 2HG1 VAL 47 -8.280 -14.184 -6.998 353 3HG1 VAL 47 3HG1 VAL 47 -7.497 -12.793 -7.743 354 1HG2 VAL 47 1HG2 VAL 47 -5.150 -15.146 -9.060 355 2HG2 VAL 47 2HG2 VAL 47 -5.682 -13.470 -9.175 356 3HG2 VAL 47 3HG2 VAL 47 -6.855 -14.777 -9.318 357 H ASP 48 H ASP 48 -3.749 -12.745 -8.603 358 HA ASP 48 HA ASP 48 -3.447 -10.121 -7.594 359 1HB ASP 48 2HB ASP 48 -3.584 -10.731 -10.538 360 2HB ASP 48 1HB ASP 48 -2.621 -9.517 -9.709 361 H GLY 49 H GLY 49 -5.754 -11.387 -10.021 362 1HA GLY 49 2HA GLY 49 -7.192 -9.196 -10.685 363 2HA GLY 49 1HA GLY 49 -7.957 -10.755 -10.398 364 H GLN 50 H GLN 50 -7.712 -11.067 -7.684 365 HA GLN 50 HA GLN 50 -9.678 -9.163 -6.719 366 1HB GLN 50 2HB GLN 50 -9.107 -11.868 -6.246 367 2HB GLN 50 1HB GLN 50 -8.763 -11.047 -4.728 368 1HG GLN 50 2HG GLN 50 -11.122 -11.704 -4.792 369 2HG GLN 50 1HG GLN 50 -10.993 -9.949 -4.841 370 1HE2 GLN 50 1HE2 GLN 50 -10.067 -11.497 -7.798 371 2HE2 GLN 50 2HE2 GLN 50 -11.505 -11.197 -8.650 372 H ALA 51 H ALA 51 -6.442 -10.243 -5.623 373 HA ALA 51 HA ALA 51 -6.257 -8.496 -3.425 374 1HB ALA 51 1HB ALA 51 -3.886 -8.976 -3.451 375 2HB ALA 51 2HB ALA 51 -3.968 -9.508 -5.130 376 3HB ALA 51 3HB ALA 51 -4.756 -10.452 -3.866 377 H ASN 52 H ASN 52 -5.038 -8.157 -6.735 378 HA ASN 52 HA ASN 52 -3.887 -5.620 -6.520 379 1HB ASN 52 2HB ASN 52 -3.717 -7.285 -8.444 380 2HB ASN 52 1HB ASN 52 -5.283 -6.679 -8.980 381 1HD2 ASN 52 1HD2 ASN 52 -2.010 -6.240 -9.459 382 2HD2 ASN 52 2HD2 ASN 52 -2.025 -4.628 -9.990 383 H SER 53 H SER 53 -7.178 -6.493 -7.664 384 HA SER 53 HA SER 53 -8.125 -3.936 -8.178 385 1HB SER 53 2HB SER 53 -10.391 -4.866 -7.755 386 2HB SER 53 1HB SER 53 -9.406 -5.901 -8.785 387 HG SER 53 HG SER 53 -9.726 -6.181 -5.974 388 H HIS 54 H HIS 54 -8.228 -5.716 -5.080 389 HA HIS 54 HA HIS 54 -9.545 -3.713 -3.583 390 1HB HIS 54 2HB HIS 54 -7.896 -6.105 -2.968 391 2HB HIS 54 1HB HIS 54 -7.989 -4.876 -1.708 392 HD1 HIS 54 HD1 HIS 54 -10.891 -5.414 -4.021 393 HD2 HIS 54 HD2 HIS 54 -9.767 -6.462 -0.143 394 HE1 HIS 54 HE1 HIS 54 -12.968 -6.331 -2.897 395 H LEU 55 H LEU 55 -6.087 -4.399 -4.058 396 HA LEU 55 HA LEU 55 -4.949 -2.506 -2.409 397 1HB LEU 55 2HB LEU 55 -3.965 -4.261 -4.196 398 2HB LEU 55 1HB LEU 55 -3.757 -2.780 -5.123 399 HG LEU 55 HG LEU 55 -1.738 -3.173 -3.835 400 1HD1 LEU 55 1HD1 LEU 55 -2.785 -0.819 -4.007 401 2HD1 LEU 55 2HD1 LEU 55 -1.538 -1.060 -2.787 402 3HD1 LEU 55 3HD1 LEU 55 -3.234 -1.034 -2.315 403 1HD2 LEU 55 1HD2 LEU 55 -3.349 -4.406 -2.015 404 2HD2 LEU 55 2HD2 LEU 55 -3.057 -2.873 -1.196 405 3HD2 LEU 55 3HD2 LEU 55 -1.699 -3.894 -1.668 406 H VAL 56 H VAL 56 -5.585 -2.020 -5.888 407 HA VAL 56 HA VAL 56 -5.058 0.714 -5.954 408 HB VAL 56 HB VAL 56 -5.754 -1.168 -7.803 409 1HG1 VAL 56 1HG1 VAL 56 -7.839 -0.649 -8.817 410 2HG1 VAL 56 2HG1 VAL 56 -8.040 0.810 -7.849 411 3HG1 VAL 56 3HG1 VAL 56 -8.191 -0.776 -7.095 412 1HG2 VAL 56 1HG2 VAL 56 -4.416 0.872 -8.169 413 2HG2 VAL 56 2HG2 VAL 56 -5.884 1.849 -8.116 414 3HG2 VAL 56 3HG2 VAL 56 -5.641 0.691 -9.425 415 H LYS 57 H LYS 57 -7.757 -0.981 -4.637 416 HA LYS 57 HA LYS 57 -9.527 1.326 -4.686 417 1HB LYS 57 2HB LYS 57 -10.214 -1.172 -4.815 418 2HB LYS 57 1HB LYS 57 -10.006 -1.158 -3.063 419 1HG LYS 57 2HG LYS 57 -11.533 0.847 -2.977 420 2HG LYS 57 1HG LYS 57 -11.854 0.604 -4.694 421 1HD LYS 57 2HD LYS 57 -12.492 -1.808 -4.059 422 2HD LYS 57 1HD LYS 57 -12.526 -1.232 -2.392 423 1HE LYS 57 2HE LYS 57 -14.211 -0.246 -4.710 424 2HE LYS 57 1HE LYS 57 -14.770 -1.049 -3.243 425 1HZ LYS 57 1HZ LYS 57 -15.154 1.160 -2.789 426 2HZ LYS 57 2HZ LYS 57 -13.749 1.692 -3.582 427 3HZ LYS 57 3HZ LYS 57 -13.637 0.924 -2.070 428 H PHE 58 H PHE 58 -8.181 -0.699 -2.058 429 HA PHE 58 HA PHE 58 -8.860 0.953 0.065 430 1HB PHE 58 2HB PHE 58 -7.773 -1.427 0.010 431 2HB PHE 58 1HB PHE 58 -6.251 -0.538 0.068 432 HD1 PHE 58 HD1 PHE 58 -9.619 -0.532 1.745 433 HD2 PHE 58 HD2 PHE 58 -5.371 -0.025 2.173 434 HE1 PHE 58 HE1 PHE 58 -9.902 -0.204 4.185 435 HE2 PHE 58 HE2 PHE 58 -5.660 0.301 4.613 436 HZ PHE 58 HZ PHE 58 -7.924 0.211 5.617 437 H LEU 59 H LEU 59 -6.017 1.095 -2.048 438 HA LEU 59 HA LEU 59 -4.853 3.283 -0.534 439 1HB LEU 59 2HB LEU 59 -3.947 1.421 -2.534 440 2HB LEU 59 1HB LEU 59 -3.586 3.068 -3.052 441 HG LEU 59 HG LEU 59 -2.678 3.450 -0.683 442 1HD1 LEU 59 1HD1 LEU 59 -2.452 0.439 -0.638 443 2HD1 LEU 59 2HD1 LEU 59 -3.807 1.270 0.124 444 3HD1 LEU 59 3HD1 LEU 59 -2.161 1.579 0.675 445 1HD2 LEU 59 1HD2 LEU 59 -1.166 1.343 -2.233 446 2HD2 LEU 59 2HD2 LEU 59 -0.516 2.698 -1.311 447 3HD2 LEU 59 3HD2 LEU 59 -1.346 2.989 -2.838 448 H GLY 60 H GLY 60 -6.561 2.829 -3.596 449 1HA GLY 60 2HA GLY 60 -6.257 5.435 -4.618 450 2HA GLY 60 1HA GLY 60 -7.570 4.332 -5.019 451 H LYS 61 H LYS 61 -8.603 4.050 -2.366 452 HA LYS 61 HA LYS 61 -10.191 6.464 -2.245 453 1HB LYS 61 2HB LYS 61 -11.613 5.272 -0.803 454 2HB LYS 61 1HB LYS 61 -10.989 4.028 -1.886 455 1HG LYS 61 2HG LYS 61 -9.140 3.681 -0.117 456 2HG LYS 61 1HG LYS 61 -10.181 4.599 0.968 457 1HD LYS 61 2HD LYS 61 -10.844 2.003 -0.449 458 2HD LYS 61 1HD LYS 61 -10.681 2.256 1.287 459 1HE LYS 61 2HE LYS 61 -12.842 3.354 -0.533 460 2HE LYS 61 1HE LYS 61 -13.039 2.206 0.790 461 1HZ LYS 61 1HZ LYS 61 -13.147 4.983 0.907 462 2HZ LYS 61 2HZ LYS 61 -11.753 4.512 1.754 463 3HZ LYS 61 3HZ LYS 61 -13.267 3.881 2.192 464 H GLN 62 H GLN 62 -7.575 5.018 -0.400 465 HA GLN 62 HA GLN 62 -7.870 6.776 1.866 466 1HB GLN 62 2HB GLN 62 -5.823 4.758 0.994 467 2HB GLN 62 1HB GLN 62 -5.463 5.868 2.315 468 1HG GLN 62 2HG GLN 62 -8.126 4.654 2.536 469 2HG GLN 62 1HG GLN 62 -6.824 3.468 2.566 470 1HE2 GLN 62 1HE2 GLN 62 -6.951 6.833 3.861 471 2HE2 GLN 62 2HE2 GLN 62 -6.559 6.386 5.451 472 H PHE 63 H PHE 63 -5.631 6.580 -0.894 473 HA PHE 63 HA PHE 63 -4.365 9.081 -0.123 474 1HB PHE 63 2HB PHE 63 -3.903 7.062 -2.299 475 2HB PHE 63 1HB PHE 63 -3.154 8.654 -2.381 476 HD1 PHE 63 HD1 PHE 63 -1.309 9.241 -0.984 477 HD2 PHE 63 HD2 PHE 63 -3.486 5.603 -0.283 478 HE1 PHE 63 HE1 PHE 63 0.420 8.519 0.640 479 HE2 PHE 63 HE2 PHE 63 -1.753 4.879 1.339 480 HZ PHE 63 HZ PHE 63 0.199 6.336 1.799 481 H ARG 64 H ARG 64 -6.971 8.036 -2.061 482 HA ARG 64 HA ARG 64 -8.437 9.125 -3.433 483 1HB ARG 64 2HB ARG 64 -7.307 11.269 -1.714 484 2HB ARG 64 1HB ARG 64 -8.230 11.751 -3.130 485 1HG ARG 64 2HG ARG 64 -10.141 10.425 -2.401 486 2HG ARG 64 1HG ARG 64 -9.214 9.791 -1.041 487 1HD ARG 64 2HD ARG 64 -10.783 11.707 -0.480 488 2HD ARG 64 1HD ARG 64 -9.108 11.936 0.009 489 HE ARG 64 HE ARG 64 -9.806 13.020 -2.604 490 1HH1 ARG 64 1HH2 ARG 64 -10.532 13.771 0.609 491 2HH1 ARG 64 2HH2 ARG 64 -9.891 15.379 0.562 492 1HH2 ARG 64 1HH1 ARG 64 -8.501 15.017 -2.591 493 2HH2 ARG 64 2HH1 ARG 64 -8.742 16.085 -1.250 494 H VAL 65 H VAL 65 -5.247 9.092 -3.996 495 HA VAL 65 HA VAL 65 -4.860 11.083 -5.982 496 HB VAL 65 HB VAL 65 -3.455 8.418 -5.782 497 1HG1 VAL 65 1HG1 VAL 65 -2.215 10.998 -6.686 498 2HG1 VAL 65 2HG1 VAL 65 -3.215 10.092 -7.819 499 3HG1 VAL 65 3HG1 VAL 65 -1.783 9.344 -7.114 500 1HG2 VAL 65 1HG2 VAL 65 -2.087 9.263 -4.117 501 2HG2 VAL 65 2HG2 VAL 65 -3.588 10.089 -3.701 502 3HG2 VAL 65 3HG2 VAL 65 -2.341 10.934 -4.613 503 H ALA 66 H ALA 66 -3.971 8.346 -7.489 504 HA ALA 66 HA ALA 66 -6.477 7.890 -8.930 505 1HB ALA 66 1HB ALA 66 -4.132 8.379 -10.670 506 2HB ALA 66 2HB ALA 66 -4.833 9.799 -9.896 507 3HB ALA 66 3HB ALA 66 -5.832 8.773 -10.928 508 H LYS 67 H LYS 67 -6.439 6.015 -10.284 509 HA LYS 67 HA LYS 67 -4.816 3.886 -9.234 510 1HB LYS 67 2HB LYS 67 -5.974 2.505 -10.967 511 2HB LYS 67 1HB LYS 67 -7.090 3.396 -9.934 512 1HG LYS 67 2HG LYS 67 -7.414 5.091 -11.634 513 2HG LYS 67 1HG LYS 67 -6.157 4.380 -12.646 514 1HD LYS 67 2HD LYS 67 -8.058 3.472 -13.624 515 2HD LYS 67 1HD LYS 67 -7.661 2.214 -12.456 516 1HE LYS 67 2HE LYS 67 -9.200 3.922 -10.940 517 2HE LYS 67 1HE LYS 67 -9.963 4.052 -12.525 518 1HZ LYS 67 1HZ LYS 67 -10.550 2.130 -10.819 519 2HZ LYS 67 2HZ LYS 67 -9.255 1.375 -11.618 520 3HZ LYS 67 3HZ LYS 67 -10.609 1.902 -12.499 521 H SER 68 H SER 68 -4.781 6.016 -11.960 522 HA SER 68 HA SER 68 -2.814 4.586 -13.495 523 1HB SER 68 2HB SER 68 -4.276 7.161 -13.661 524 2HB SER 68 1HB SER 68 -2.704 7.109 -14.459 525 HG SER 68 HG SER 68 -3.450 5.677 -15.851 526 H GLN 69 H GLN 69 -2.768 6.537 -10.725 527 HA GLN 69 HA GLN 69 0.055 7.301 -11.102 528 1HB GLN 69 2HB GLN 69 -2.019 8.222 -9.096 529 2HB GLN 69 1HB GLN 69 -0.337 8.749 -9.101 530 1HG GLN 69 2HG GLN 69 -1.957 8.994 -11.619 531 2HG GLN 69 1HG GLN 69 -2.178 10.183 -10.337 532 1HE2 GLN 69 1HE2 GLN 69 0.291 8.784 -12.522 533 2HE2 GLN 69 2HE2 GLN 69 1.348 10.109 -12.428 534 H VAL 70 H VAL 70 -1.973 5.059 -9.569 535 HA VAL 70 HA VAL 70 -0.148 4.435 -7.390 536 HB VAL 70 HB VAL 70 -2.871 3.466 -8.247 537 1HG1 VAL 70 1HG1 VAL 70 -2.511 1.967 -6.072 538 2HG1 VAL 70 2HG1 VAL 70 -0.829 2.028 -6.600 539 3HG1 VAL 70 3HG1 VAL 70 -2.067 1.374 -7.673 540 1HG2 VAL 70 1HG2 VAL 70 -1.925 4.275 -5.497 541 2HG2 VAL 70 2HG2 VAL 70 -3.560 4.321 -6.157 542 3HG2 VAL 70 3HG2 VAL 70 -2.358 5.492 -6.698 543 H VAL 71 H VAL 71 1.674 3.601 -8.239 544 HA VAL 71 HA VAL 71 1.430 1.434 -10.228 545 HB VAL 71 HB VAL 71 4.027 2.746 -9.480 546 1HG1 VAL 71 1HG1 VAL 71 4.568 2.167 -11.813 547 2HG1 VAL 71 2HG1 VAL 71 2.932 1.552 -12.048 548 3HG1 VAL 71 3HG1 VAL 71 4.029 0.739 -10.930 549 1HG2 VAL 71 1HG2 VAL 71 1.812 3.827 -11.236 550 2HG2 VAL 71 2HG2 VAL 71 3.498 4.279 -11.490 551 3HG2 VAL 71 3HG2 VAL 71 2.703 4.663 -9.965 552 H ILE 72 H ILE 72 1.529 -0.557 -9.527 553 HA ILE 72 HA ILE 72 2.776 -1.259 -6.965 554 HB ILE 72 HB ILE 72 1.372 -3.048 -8.975 555 1HG1 ILE 72 2HG1 ILE 72 0.207 -1.729 -6.504 556 2HG1 ILE 72 1HG1 ILE 72 -0.036 -1.116 -8.138 557 1HG2 ILE 72 1HG2 ILE 72 2.874 -4.052 -7.164 558 2HG2 ILE 72 2HG2 ILE 72 1.200 -4.605 -7.169 559 3HG2 ILE 72 3HG2 ILE 72 1.727 -3.405 -5.990 560 1HD1 ILE 72 1HD1 ILE 72 -1.870 -2.657 -7.227 561 2HD1 ILE 72 2HD1 ILE 72 -0.702 -3.969 -7.383 562 3HD1 ILE 72 3HD1 ILE 72 -1.219 -3.071 -8.811 563 H GLU 73 H GLU 73 4.947 -0.830 -7.548 564 HA GLU 73 HA GLU 73 6.257 -2.002 -9.773 565 1HB GLU 73 2HB GLU 73 7.139 -0.692 -7.225 566 2HB GLU 73 1HB GLU 73 8.326 -1.504 -8.250 567 1HG GLU 73 2HG GLU 73 7.721 -0.123 -10.149 568 2HG GLU 73 1HG GLU 73 6.386 0.599 -9.254 569 H LYS 74 H LYS 74 4.833 -3.638 -7.357 570 HA LYS 74 HA LYS 74 5.773 -6.124 -7.823 571 1HB LYS 74 2HB LYS 74 7.786 -4.619 -6.342 572 2HB LYS 74 1HB LYS 74 7.237 -6.029 -5.440 573 1HG LYS 74 2HG LYS 74 7.971 -7.530 -7.052 574 2HG LYS 74 1HG LYS 74 7.867 -6.348 -8.355 575 1HD LYS 74 2HD LYS 74 9.892 -5.326 -7.769 576 2HD LYS 74 1HD LYS 74 9.836 -5.940 -6.117 577 1HE LYS 74 2HE LYS 74 11.523 -7.122 -7.539 578 2HE LYS 74 1HE LYS 74 10.291 -8.202 -6.888 579 1HZ LYS 74 1HZ LYS 74 10.583 -8.685 -9.190 580 2HZ LYS 74 2HZ LYS 74 10.395 -7.053 -9.623 581 3HZ LYS 74 3HZ LYS 74 9.075 -7.928 -9.010 582 H GLY 75 H GLY 75 4.698 -7.589 -6.581 583 1HA GLY 75 2HA GLY 75 3.816 -8.065 -4.267 584 2HA GLY 75 1HA GLY 75 3.035 -6.488 -4.390 585 H GLU 76 H GLU 76 2.874 -7.303 -7.407 586 HA GLU 76 HA GLU 76 0.255 -7.690 -7.799 587 1HB GLU 76 2HB GLU 76 2.156 -9.499 -9.280 588 2HB GLU 76 1HB GLU 76 0.710 -8.690 -9.882 589 1HG GLU 76 2HG GLU 76 2.035 -6.501 -9.214 590 2HG GLU 76 1HG GLU 76 3.438 -7.558 -9.363 591 H LEU 77 H LEU 77 2.481 -10.369 -7.008 592 HA LEU 77 HA LEU 77 0.122 -11.955 -6.176 593 1HB LEU 77 2HB LEU 77 1.141 -12.789 -8.291 594 2HB LEU 77 1HB LEU 77 2.658 -13.034 -7.427 595 HG LEU 77 HG LEU 77 0.997 -14.362 -5.762 596 1HD1 LEU 77 1HD1 LEU 77 -0.224 -14.577 -8.531 597 2HD1 LEU 77 2HD1 LEU 77 -1.014 -13.978 -7.071 598 3HD1 LEU 77 3HD1 LEU 77 -0.580 -15.681 -7.203 599 1HD2 LEU 77 1HD2 LEU 77 1.659 -16.435 -7.060 600 2HD2 LEU 77 2HD2 LEU 77 2.998 -15.346 -6.696 601 3HD2 LEU 77 3HD2 LEU 77 2.294 -15.368 -8.313 602 H GLY 78 H GLY 78 3.622 -11.441 -5.696 603 1HA GLY 78 2HA GLY 78 3.956 -13.087 -3.441 604 2HA GLY 78 1HA GLY 78 4.958 -11.695 -3.835 605 H ARG 79 H ARG 79 4.053 -12.606 -1.197 606 HA ARG 79 HA ARG 79 1.941 -11.001 -0.214 607 1HB ARG 79 2HB ARG 79 4.262 -12.393 1.093 608 2HB ARG 79 1HB ARG 79 3.190 -11.348 2.034 609 1HG ARG 79 2HG ARG 79 1.240 -12.658 1.288 610 2HG ARG 79 1HG ARG 79 2.290 -13.692 0.320 611 1HD ARG 79 2HD ARG 79 3.450 -14.451 2.329 612 2HD ARG 79 1HD ARG 79 2.498 -13.354 3.322 613 HE ARG 79 HE ARG 79 0.696 -14.832 3.165 614 1HH1 ARG 79 1HH1 ARG 79 3.238 -16.716 2.707 615 2HH1 ARG 79 2HH1 ARG 79 2.559 -17.803 1.544 616 1HH2 ARG 79 1HH2 ARG 79 -0.200 -15.803 0.896 617 2HH2 ARG 79 2HH2 ARG 79 0.611 -17.285 0.515 618 H HIS 80 H HIS 80 5.314 -10.356 -0.833 619 HA HIS 80 HA HIS 80 5.478 -7.927 0.680 620 1HB HIS 80 2HB HIS 80 7.129 -8.040 -1.756 621 2HB HIS 80 1HB HIS 80 7.623 -7.844 -0.076 622 HD1 HIS 80 HD1 HIS 80 7.661 -10.144 1.375 623 HD2 HIS 80 HD2 HIS 80 7.538 -10.594 -2.767 624 HE1 HIS 80 HE1 HIS 80 8.358 -12.532 0.892 625 H LYS 81 H LYS 81 5.468 -5.720 -0.310 626 HA LYS 81 HA LYS 81 4.192 -5.506 -2.912 627 1HB LYS 81 2HB LYS 81 2.105 -5.566 -2.074 628 2HB LYS 81 1HB LYS 81 2.689 -5.468 -0.417 629 1HG LYS 81 2HG LYS 81 2.950 -3.008 -0.677 630 2HG LYS 81 1HG LYS 81 2.280 -3.132 -2.308 631 1HD LYS 81 2HD LYS 81 0.249 -4.247 -1.273 632 2HD LYS 81 1HD LYS 81 0.899 -3.803 0.303 633 1HE LYS 81 2HE LYS 81 1.032 -1.400 -0.663 634 2HE LYS 81 1HE LYS 81 -0.066 -2.003 -1.903 635 1HZ LYS 81 1HZ LYS 81 -1.718 -1.717 -0.486 636 2HZ LYS 81 2HZ LYS 81 -0.647 -1.246 0.744 637 3HZ LYS 81 3HZ LYS 81 -1.037 -2.886 0.535 638 H GLN 82 H GLN 82 4.328 -3.446 -3.809 639 HA GLN 82 HA GLN 82 5.434 -1.284 -2.189 640 1HB GLN 82 2HB GLN 82 6.881 -1.528 -4.722 641 2HB GLN 82 1HB GLN 82 7.497 -1.211 -3.101 642 1HG GLN 82 2HG GLN 82 7.347 -3.615 -2.567 643 2HG GLN 82 1HG GLN 82 6.725 -3.938 -4.184 644 1HE2 GLN 82 1HE2 GLN 82 8.810 -1.531 -4.841 645 2HE2 GLN 82 2HE2 GLN 82 10.240 -2.413 -5.083 646 H ILE 83 H ILE 83 4.015 0.265 -2.583 647 HA ILE 83 HA ILE 83 2.918 0.525 -5.313 648 HB ILE 83 HB ILE 83 1.776 1.831 -2.854 649 1HG1 ILE 83 2HG1 ILE 83 2.062 -0.671 -2.497 650 2HG1 ILE 83 1HG1 ILE 83 0.401 -0.092 -2.433 651 1HG2 ILE 83 1HG2 ILE 83 -0.325 1.469 -4.264 652 2HG2 ILE 83 2HG2 ILE 83 0.758 1.016 -5.579 653 3HG2 ILE 83 3HG2 ILE 83 0.839 2.636 -4.887 654 1HD1 ILE 83 1HD1 ILE 83 0.887 -2.219 -3.834 655 2HD1 ILE 83 2HD1 ILE 83 1.583 -1.109 -5.013 656 3HD1 ILE 83 3HD1 ILE 83 -0.115 -0.965 -4.561 657 H LYS 84 H LYS 84 3.073 2.417 -6.401 658 HA LYS 84 HA LYS 84 4.721 4.525 -5.138 659 1HB LYS 84 2HB LYS 84 5.339 3.180 -7.372 660 2HB LYS 84 1HB LYS 84 4.343 4.444 -8.090 661 1HG LYS 84 2HG LYS 84 6.347 5.332 -6.076 662 2HG LYS 84 1HG LYS 84 6.987 4.751 -7.612 663 1HD LYS 84 2HD LYS 84 6.612 6.886 -8.311 664 2HD LYS 84 1HD LYS 84 4.944 6.345 -8.483 665 1HE LYS 84 2HE LYS 84 4.534 8.140 -7.119 666 2HE LYS 84 1HE LYS 84 4.935 6.983 -5.854 667 1HZ LYS 84 1HZ LYS 84 6.792 8.913 -7.131 668 2HZ LYS 84 2HZ LYS 84 7.251 7.735 -5.994 669 3HZ LYS 84 3HZ LYS 84 6.192 8.986 -5.548 670 H ILE 85 H ILE 85 3.500 6.142 -4.425 671 HA ILE 85 HA ILE 85 1.008 6.810 -5.822 672 HB ILE 85 HB ILE 85 2.120 7.395 -3.082 673 1HG1 ILE 85 2HG1 ILE 85 -0.314 6.679 -2.566 674 2HG1 ILE 85 1HG1 ILE 85 -0.393 6.178 -4.255 675 1HG2 ILE 85 1HG2 ILE 85 -0.118 8.808 -2.928 676 2HG2 ILE 85 2HG2 ILE 85 0.150 9.027 -4.657 677 3HG2 ILE 85 3HG2 ILE 85 1.372 9.558 -3.501 678 1HD1 ILE 85 1HD1 ILE 85 1.287 4.542 -3.976 679 2HD1 ILE 85 2HD1 ILE 85 0.333 4.405 -2.500 680 3HD1 ILE 85 3HD1 ILE 85 1.870 5.266 -2.477 681 H ILE 86 H ILE 86 1.525 8.024 -7.577 682 HA ILE 86 HA ILE 86 3.494 10.157 -7.409 683 HB ILE 86 HB ILE 86 1.638 9.494 -9.705 684 1HG1 ILE 86 2HG1 ILE 86 4.483 8.530 -9.327 685 2HG1 ILE 86 1HG1 ILE 86 3.088 7.558 -8.870 686 1HG2 ILE 86 1HG2 ILE 86 2.589 11.555 -10.218 687 2HG2 ILE 86 2HG2 ILE 86 3.799 10.462 -10.886 688 3HG2 ILE 86 3HG2 ILE 86 4.065 11.216 -9.314 689 1HD1 ILE 86 1HD1 ILE 86 2.366 7.311 -11.080 690 2HD1 ILE 86 2HD1 ILE 86 4.118 7.260 -11.260 691 3HD1 ILE 86 3HD1 ILE 86 3.238 8.742 -11.631 692 H ASN 87 H ASN 87 3.058 12.355 -7.672 693 HA ASN 87 HA ASN 87 1.937 14.282 -7.094 694 1HB ASN 87 2HB ASN 87 1.163 13.772 -9.440 695 2HB ASN 87 1HB ASN 87 -0.280 13.045 -8.739 696 1HD2 ASN 87 1HD2 ASN 87 0.573 15.540 -6.670 697 2HD2 ASN 87 2HD2 ASN 87 -0.378 16.776 -7.339 698 HA PRO 88 HA PRO 88 -0.411 11.753 -3.795 699 1HB PRO 88 2HB PRO 88 0.791 13.581 -1.922 700 2HB PRO 88 1HB PRO 88 1.065 11.840 -2.084 701 1HG PRO 88 2HG PRO 88 2.691 14.071 -3.015 702 2HG PRO 88 1HG PRO 88 3.125 12.370 -2.794 703 1HD PRO 88 2HD PRO 88 2.854 13.560 -5.256 704 2HD PRO 88 1HD PRO 88 2.616 11.821 -4.974 705 H GLN 89 H GLN 89 -2.434 12.386 -3.332 706 HA GLN 89 HA GLN 89 -3.071 15.275 -3.400 707 1HB GLN 89 2HB GLN 89 -4.158 13.599 -5.061 708 2HB GLN 89 1HB GLN 89 -5.090 13.054 -3.667 709 1HG GLN 89 2HG GLN 89 -6.416 14.741 -4.721 710 2HG GLN 89 1HG GLN 89 -5.719 15.496 -3.291 711 1HE2 GLN 89 1HE2 GLN 89 -4.741 17.484 -3.675 712 2HE2 GLN 89 2HE2 GLN 89 -4.141 18.000 -5.177 713 H GLN 90 H GLN 90 -3.273 12.300 -1.593 714 HA GLN 90 HA GLN 90 -3.968 13.794 0.811 715 1HB GLN 90 2HB GLN 90 -6.150 13.026 -0.119 716 2HB GLN 90 1HB GLN 90 -5.563 11.366 -0.053 717 1HG GLN 90 2HG GLN 90 -5.728 11.246 2.229 718 2HG GLN 90 1HG GLN 90 -5.306 12.940 2.455 719 1HE2 GLN 90 1HE2 GLN 90 -7.834 10.877 2.917 720 2HE2 GLN 90 2HE2 GLN 90 -9.130 11.955 2.719 721 H ILE 91 H ILE 91 -2.564 13.203 2.305 722 HA ILE 91 HA ILE 91 -1.359 10.508 2.159 723 HB ILE 91 HB ILE 91 0.398 12.041 1.854 724 1HG1 ILE 91 2HG1 ILE 91 0.578 11.919 4.841 725 2HG1 ILE 91 1HG1 ILE 91 0.477 10.394 3.961 726 1HG2 ILE 91 1HG2 ILE 91 -0.535 14.150 2.266 727 2HG2 ILE 91 2HG2 ILE 91 0.629 13.983 3.579 728 3HG2 ILE 91 3HG2 ILE 91 -1.083 13.702 3.880 729 1HD1 ILE 91 1HD1 ILE 91 2.827 11.057 4.274 730 2HD1 ILE 91 2HD1 ILE 91 2.511 12.589 3.460 731 3HD1 ILE 91 3HD1 ILE 91 2.399 11.075 2.563 732 HA PRO 92 HA PRO 92 -3.717 10.027 5.943 733 1HB PRO 92 2HB PRO 92 -2.779 7.308 6.109 734 2HB PRO 92 1HB PRO 92 -4.388 7.891 5.665 735 1HG PRO 92 2HG PRO 92 -2.527 6.689 3.973 736 2HG PRO 92 1HG PRO 92 -3.998 7.543 3.491 737 1HD PRO 92 2HD PRO 92 -1.193 8.428 3.314 738 2HD PRO 92 1HD PRO 92 -2.624 9.030 2.452 739 HA PRO 93 HA PRO 93 -0.866 10.630 9.219 740 1HB PRO 93 2HB PRO 93 -1.973 8.663 10.999 741 2HB PRO 93 1HB PRO 93 -2.208 10.416 11.021 742 1HG PRO 93 2HG PRO 93 -4.001 8.342 10.116 743 2HG PRO 93 1HG PRO 93 -4.318 10.058 10.386 744 1HD PRO 93 2HD PRO 93 -4.197 8.800 7.891 745 2HD PRO 93 1HD PRO 93 -4.100 10.550 8.169 746 H GLU 94 H GLU 94 -1.517 7.359 8.156 747 HA GLU 94 HA GLU 94 0.439 5.900 9.489 748 1HB GLU 94 2HB GLU 94 -1.300 4.942 7.985 749 2HB GLU 94 1HB GLU 94 -0.400 5.566 6.601 750 1HG GLU 94 2HG GLU 94 1.543 4.211 7.211 751 2HG GLU 94 1HG GLU 94 0.721 3.642 8.661 752 H VAL 95 H VAL 95 0.732 7.330 6.231 753 HA VAL 95 HA VAL 95 3.594 6.966 6.178 754 HB VAL 95 HB VAL 95 1.903 8.666 4.328 755 1HG1 VAL 95 1HG1 VAL 95 4.312 9.001 4.095 756 2HG1 VAL 95 2HG1 VAL 95 3.718 8.078 2.716 757 3HG1 VAL 95 3HG1 VAL 95 4.574 7.260 4.022 758 1HG2 VAL 95 1HG2 VAL 95 2.344 5.690 4.483 759 2HG2 VAL 95 2HG2 VAL 95 2.085 6.463 2.919 760 3HG2 VAL 95 3HG2 VAL 95 0.849 6.573 4.172 761 H ALA 96 H ALA 96 1.403 9.365 7.274 762 HA ALA 96 HA ALA 96 3.216 11.594 7.113 763 1HB ALA 96 1HB ALA 96 1.025 11.677 9.099 764 2HB ALA 96 2HB ALA 96 0.534 11.422 7.424 765 3HB ALA 96 3HB ALA 96 1.476 12.847 7.860 766 H ALA 97 H ALA 97 2.453 9.124 9.485 767 HA ALA 97 HA ALA 97 3.661 10.352 11.736 768 1HB ALA 97 1HB ALA 97 3.491 8.221 12.785 769 2HB ALA 97 2HB ALA 97 3.481 7.382 11.233 770 3HB ALA 97 3HB ALA 97 2.093 8.353 11.720 771 H LEU 98 H LEU 98 4.996 8.843 8.942 772 HA LEU 98 HA LEU 98 7.608 8.489 10.260 773 1HB LEU 98 2HB LEU 98 6.483 7.495 7.638 774 2HB LEU 98 1HB LEU 98 8.191 7.353 8.059 775 HG LEU 98 HG LEU 98 5.965 6.318 9.833 776 1HD1 LEU 98 1HD1 LEU 98 5.851 5.107 7.725 777 2HD1 LEU 98 2HD1 LEU 98 6.594 4.068 8.939 778 3HD1 LEU 98 3HD1 LEU 98 7.598 4.867 7.729 779 1HD2 LEU 98 1HD2 LEU 98 8.136 4.835 10.410 780 2HD2 LEU 98 2HD2 LEU 98 7.812 6.375 11.207 781 3HD2 LEU 98 3HD2 LEU 98 8.949 6.302 9.860 782 H ILE 99 H ILE 99 5.902 10.530 8.058 783 HA ILE 99 HA ILE 99 8.401 11.710 7.050 784 HB ILE 99 HB ILE 99 5.511 11.991 6.221 785 1HG1 ILE 99 2HG1 ILE 99 7.997 11.115 4.715 786 2HG1 ILE 99 1HG1 ILE 99 6.863 10.002 5.481 787 1HG2 ILE 99 1HG2 ILE 99 6.570 13.461 4.371 788 2HG2 ILE 99 2HG2 ILE 99 7.935 13.638 5.472 789 3HG2 ILE 99 3HG2 ILE 99 6.335 14.203 5.953 790 1HD1 ILE 99 1HD1 ILE 99 6.096 10.089 3.260 791 2HD1 ILE 99 2HD1 ILE 99 6.415 11.818 3.120 792 3HD1 ILE 99 3HD1 ILE 99 5.051 11.248 4.084 793 H ASN 100 H ASN 100 5.629 12.429 9.083 794 HA ASN 100 HA ASN 100 6.151 15.238 9.323 795 1HB ASN 100 2HB ASN 100 4.564 13.320 11.041 796 2HB ASN 100 1HB ASN 100 4.632 15.056 11.311 797 1HD2 ASN 100 1HD2 ASN 100 4.839 14.989 8.068 798 2HD2 ASN 100 2HD2 ASN 100 3.195 14.985 7.649 799 H LEU 101 H LEU 101 7.673 12.482 10.533 800 HA LEU 101 HA LEU 101 9.479 12.213 11.942 801 1HB LEU 101 2HB LEU 101 10.094 14.544 11.058 802 2HB LEU 101 1HB LEU 101 9.383 15.166 12.547 803 HG LEU 101 HG LEU 101 10.931 13.290 13.647 804 1HD1 LEU 101 1HD1 LEU 101 11.674 12.633 11.259 805 2HD1 LEU 101 2HD1 LEU 101 12.938 12.851 12.470 806 3HD1 LEU 101 3HD1 LEU 101 12.623 14.121 11.288 807 1HD2 LEU 101 1HD2 LEU 101 11.901 15.988 12.647 808 2HD2 LEU 101 2HD2 LEU 101 12.675 15.051 13.926 809 3HD2 LEU 101 3HD2 LEU 101 11.045 15.683 14.158 810 H GLU 102 H GLU 102 7.444 14.798 13.354 811 HA GLU 102 HA GLU 102 6.547 15.008 15.463 812 1HB GLU 102 2HB GLU 102 6.005 12.179 14.645 813 2HB GLU 102 1HB GLU 102 5.645 12.650 16.304 814 1HG GLU 102 2HG GLU 102 4.672 14.225 13.909 815 2HG GLU 102 1HG GLU 102 3.732 12.928 14.642 816 H HIS 103 H HIS 103 7.426 11.736 16.260 817 HA HIS 103 HA HIS 103 8.773 10.886 17.912 818 1HB HIS 103 2HB HIS 103 10.390 11.764 16.052 819 2HB HIS 103 1HB HIS 103 10.781 13.018 17.233 820 HD1 HIS 103 HD1 HIS 103 10.620 9.207 17.049 821 HD2 HIS 103 HD2 HIS 103 12.628 12.209 19.132 822 HE1 HIS 103 HE1 HIS 103 12.341 8.045 18.498 823 H HIS 104 H HIS 104 7.066 13.409 18.400 824 HA HIS 104 HA HIS 104 8.407 14.845 20.499 825 1HB HIS 104 2HB HIS 104 6.577 15.779 19.045 826 2HB HIS 104 1HB HIS 104 5.444 14.723 19.886 827 HD1 HIS 104 HD1 HIS 104 8.284 16.494 21.640 828 HD2 HIS 104 HD2 HIS 104 4.140 16.781 21.300 829 HE1 HIS 104 HE1 HIS 104 7.537 18.175 23.381 830 H HIS 105 H HIS 105 7.384 14.982 22.714 831 HA HIS 105 HA HIS 105 7.469 12.463 23.990 832 1HB HIS 105 2HB HIS 105 6.380 15.103 24.996 833 2HB HIS 105 1HB HIS 105 6.753 13.702 26.002 834 HD1 HIS 105 HD1 HIS 105 8.516 16.028 23.548 835 HD2 HIS 105 HD2 HIS 105 9.394 13.617 26.832 836 HE1 HIS 105 HE1 HIS 105 10.950 16.441 24.109 837 H HIS 106 H HIS 106 5.573 11.980 25.655 838 HA HIS 106 HA HIS 106 3.191 11.519 24.003 839 1HB HIS 106 2HB HIS 106 4.448 9.681 25.330 840 2HB HIS 106 1HB HIS 106 3.660 10.371 26.749 841 HD1 HIS 106 HD1 HIS 106 2.354 9.664 23.222 842 HD2 HIS 106 HD2 HIS 106 1.418 8.828 27.198 843 HE1 HIS 106 HE1 HIS 106 0.178 8.370 23.188 844 H HIS 107 H HIS 107 1.864 11.073 26.795 845 HA HIS 107 HA HIS 107 1.449 13.784 27.733 846 1HB HIS 107 2HB HIS 107 -0.016 13.682 25.743 847 2HB HIS 107 1HB HIS 107 -0.812 12.258 26.410 848 HD1 HIS 107 HD1 HIS 107 -0.164 15.897 27.347 849 HD2 HIS 107 HD2 HIS 107 -2.926 12.865 28.094 850 HE1 HIS 107 HE1 HIS 107 -2.025 16.943 28.710 851 H HIS 108 H HIS 108 2.428 12.386 29.476 852 HA HIS 108 HA HIS 108 0.822 10.382 30.744 853 1HB HIS 108 2HB HIS 108 3.210 10.312 31.040 854 2HB HIS 108 1HB HIS 108 3.235 11.959 31.666 855 HD1 HIS 108 HD1 HIS 108 1.814 8.540 32.572 856 HD2 HIS 108 HD2 HIS 108 2.903 12.117 34.418 857 HE1 HIS 108 HE1 HIS 108 1.599 8.155 35.067 Start of MODEL 4 1 HA MET 1 HA MET 1 17.997 3.917 2.669 2 1HB MET 1 2HB MET 1 19.176 2.205 0.490 3 2HB MET 1 1HB MET 1 17.484 2.597 0.796 4 1HG MET 1 2HG MET 1 19.604 4.514 -0.222 5 2HG MET 1 1HG MET 1 18.284 3.826 -1.167 6 1HE MET 1 1HE MET 1 18.959 7.220 -0.429 7 2HE MET 1 2HE MET 1 17.298 7.489 -0.950 8 3HE MET 1 3HE MET 1 18.282 6.275 -1.762 9 H ASP 2 H ASP 2 17.440 1.482 2.944 10 HA ASP 2 HA ASP 2 17.727 -0.450 4.148 11 1HB ASP 2 2HB ASP 2 20.689 -0.345 3.737 12 2HB ASP 2 1HB ASP 2 19.597 -1.726 3.671 13 H GLY 3 H GLY 3 18.210 2.318 5.327 14 1HA GLY 3 2HA GLY 3 20.152 2.097 7.387 15 2HA GLY 3 1HA GLY 3 18.823 3.250 7.339 16 H VAL 4 H VAL 4 17.155 2.976 8.698 17 HA VAL 4 HA VAL 4 16.892 0.381 10.103 18 HB VAL 4 HB VAL 4 16.508 3.131 11.316 19 1HG1 VAL 4 1HG1 VAL 4 15.101 1.498 12.400 20 2HG1 VAL 4 2HG1 VAL 4 16.497 1.762 13.444 21 3HG1 VAL 4 3HG1 VAL 4 16.411 0.316 12.439 22 1HG2 VAL 4 1HG2 VAL 4 18.613 2.892 12.364 23 2HG2 VAL 4 2HG2 VAL 4 18.915 2.357 10.713 24 3HG2 VAL 4 3HG2 VAL 4 18.700 1.168 11.997 25 H MET 5 H MET 5 15.353 3.225 8.764 26 HA MET 5 HA MET 5 12.682 2.158 9.327 27 1HB MET 5 2HB MET 5 12.070 4.395 8.097 28 2HB MET 5 1HB MET 5 12.572 4.419 9.790 29 1HG MET 5 2HG MET 5 14.757 4.595 7.778 30 2HG MET 5 1HG MET 5 13.692 5.993 7.884 31 1HE MET 5 1HE MET 5 14.254 7.951 9.625 32 2HE MET 5 2HE MET 5 13.988 7.409 11.280 33 3HE MET 5 3HE MET 5 12.870 6.917 10.010 34 H SER 6 H SER 6 12.315 0.564 7.876 35 HA SER 6 HA SER 6 12.369 1.374 5.068 36 1HB SER 6 2HB SER 6 12.532 -1.424 5.090 37 2HB SER 6 1HB SER 6 13.786 -0.288 4.611 38 HG SER 6 HG SER 6 14.537 -0.286 6.729 39 H ALA 7 H ALA 7 10.585 1.144 4.046 40 HA ALA 7 HA ALA 7 8.605 -0.695 4.027 41 1HB ALA 7 1HB ALA 7 6.877 0.572 5.564 42 2HB ALA 7 2HB ALA 7 8.331 1.094 6.418 43 3HB ALA 7 3HB ALA 7 7.969 -0.625 6.262 44 H VAL 8 H VAL 8 9.660 2.542 3.848 45 HA VAL 8 HA VAL 8 7.983 3.026 1.564 46 HB VAL 8 HB VAL 8 6.421 3.618 3.364 47 1HG1 VAL 8 1HG1 VAL 8 8.431 5.714 4.222 48 2HG1 VAL 8 2HG1 VAL 8 8.286 4.147 5.017 49 3HG1 VAL 8 3HG1 VAL 8 6.926 5.269 5.025 50 1HG2 VAL 8 1HG2 VAL 8 7.443 6.233 2.256 51 2HG2 VAL 8 2HG2 VAL 8 5.775 5.725 2.522 52 3HG2 VAL 8 3HG2 VAL 8 6.707 5.031 1.197 53 H THR 9 H THR 9 8.508 5.048 0.488 54 HA THR 9 HA THR 9 10.937 6.416 1.346 55 HB THR 9 HB THR 9 10.761 4.556 -1.001 56 HG1 THR 9 HG1 THR 9 11.798 4.071 1.047 57 1HG2 THR 9 1HG2 THR 9 11.444 6.433 -2.215 58 2HG2 THR 9 2HG2 THR 9 12.990 5.781 -1.677 59 3HG2 THR 9 3HG2 THR 9 12.272 7.151 -0.832 60 H VAL 10 H VAL 10 10.708 8.509 0.920 61 HA VAL 10 HA VAL 10 8.598 9.409 -0.876 62 HB VAL 10 HB VAL 10 9.354 11.697 0.098 63 1HG1 VAL 10 1HG1 VAL 10 7.263 10.571 0.712 64 2HG1 VAL 10 2HG1 VAL 10 8.008 11.281 2.143 65 3HG1 VAL 10 3HG1 VAL 10 8.130 9.545 1.854 66 1HG2 VAL 10 1HG2 VAL 10 10.604 11.646 2.134 67 2HG2 VAL 10 2HG2 VAL 10 11.510 10.635 1.010 68 3HG2 VAL 10 3HG2 VAL 10 10.495 9.890 2.245 69 H ASN 11 H ASN 11 9.287 9.303 -2.917 70 HA ASN 11 HA ASN 11 11.968 10.030 -3.712 71 1HB ASN 11 2HB ASN 11 9.566 9.564 -5.493 72 2HB ASN 11 1HB ASN 11 11.266 9.467 -5.944 73 1HD2 ASN 11 1HD2 ASN 11 11.864 7.316 -6.185 74 2HD2 ASN 11 2HD2 ASN 11 11.337 6.040 -5.199 75 H ASP 12 H ASP 12 11.302 11.333 -6.164 76 HA ASP 12 HA ASP 12 10.572 14.013 -5.143 77 1HB ASP 12 2HB ASP 12 12.327 13.117 -7.440 78 2HB ASP 12 1HB ASP 12 11.752 14.775 -7.281 79 H ASP 13 H ASP 13 9.103 11.533 -6.344 80 HA ASP 13 HA ASP 13 7.465 13.064 -8.280 81 1HB ASP 13 2HB ASP 13 8.813 11.274 -9.343 82 2HB ASP 13 1HB ASP 13 8.066 10.096 -8.271 83 H GLY 14 H GLY 14 7.621 11.184 -5.418 84 1HA GLY 14 2HA GLY 14 5.153 11.805 -4.401 85 2HA GLY 14 1HA GLY 14 4.883 10.330 -5.325 86 H LEU 15 H LEU 15 4.907 8.584 -4.054 87 HA LEU 15 HA LEU 15 7.109 8.221 -2.167 88 1HB LEU 15 2HB LEU 15 5.330 7.442 -0.442 89 2HB LEU 15 1HB LEU 15 5.643 9.168 -0.615 90 HG LEU 15 HG LEU 15 3.630 8.322 -2.522 91 1HD1 LEU 15 1HD1 LEU 15 2.957 7.848 0.396 92 2HD1 LEU 15 2HD1 LEU 15 3.232 6.562 -0.781 93 3HD1 LEU 15 3HD1 LEU 15 1.873 7.666 -0.982 94 1HD2 LEU 15 1HD2 LEU 15 4.002 10.638 -1.767 95 2HD2 LEU 15 2HD2 LEU 15 3.573 10.180 -0.120 96 3HD2 LEU 15 3HD2 LEU 15 2.356 10.128 -1.394 97 H VAL 16 H VAL 16 7.708 6.147 -1.921 98 HA VAL 16 HA VAL 16 6.227 4.116 -3.452 99 HB VAL 16 HB VAL 16 9.075 4.256 -2.437 100 1HG1 VAL 16 1HG1 VAL 16 9.203 2.015 -3.778 101 2HG1 VAL 16 2HG1 VAL 16 7.467 1.929 -3.481 102 3HG1 VAL 16 3HG1 VAL 16 8.594 1.979 -2.124 103 1HG2 VAL 16 1HG2 VAL 16 9.670 4.394 -4.713 104 2HG2 VAL 16 2HG2 VAL 16 8.224 5.399 -4.621 105 3HG2 VAL 16 3HG2 VAL 16 8.119 3.757 -5.254 106 H LEU 17 H LEU 17 4.725 3.179 -2.187 107 HA LEU 17 HA LEU 17 5.200 2.769 0.654 108 1HB LEU 17 2HB LEU 17 3.014 3.515 0.127 109 2HB LEU 17 1HB LEU 17 2.840 2.340 -1.175 110 HG LEU 17 HG LEU 17 2.765 0.507 0.419 111 1HD1 LEU 17 1HD1 LEU 17 2.675 1.169 2.916 112 2HD1 LEU 17 2HD1 LEU 17 3.422 2.684 2.411 113 3HD1 LEU 17 3HD1 LEU 17 4.261 1.157 2.148 114 1HD2 LEU 17 1HD2 LEU 17 0.656 1.709 -0.036 115 2HD2 LEU 17 2HD2 LEU 17 0.993 2.807 1.302 116 3HD2 LEU 17 3HD2 LEU 17 0.687 1.100 1.619 117 H ARG 18 H ARG 18 6.297 1.089 1.317 118 HA ARG 18 HA ARG 18 6.108 -1.492 -0.127 119 1HB ARG 18 2HB ARG 18 8.270 -0.847 1.849 120 2HB ARG 18 1HB ARG 18 8.317 -1.919 0.456 121 1HG ARG 18 2HG ARG 18 8.199 0.041 -1.054 122 2HG ARG 18 1HG ARG 18 8.201 1.106 0.351 123 1HD ARG 18 2HD ARG 18 10.392 -0.075 1.017 124 2HD ARG 18 1HD ARG 18 10.414 -0.696 -0.631 125 HE ARG 18 HE ARG 18 10.436 2.193 0.052 126 1HH1 ARG 18 1HH2 ARG 18 10.483 -0.115 -2.453 127 2HH1 ARG 18 2HH2 ARG 18 11.742 0.653 -3.359 128 1HH2 ARG 18 1HH1 ARG 18 12.404 3.036 -0.929 129 2HH2 ARG 18 2HH1 ARG 18 12.826 2.436 -2.499 130 H LEU 19 H LEU 19 5.071 -3.121 0.912 131 HA LEU 19 HA LEU 19 5.121 -3.170 3.832 132 1HB LEU 19 2HB LEU 19 2.683 -3.355 4.018 133 2HB LEU 19 1HB LEU 19 3.163 -1.800 3.345 134 HG LEU 19 HG LEU 19 2.649 -3.985 1.388 135 1HD1 LEU 19 1HD1 LEU 19 0.789 -4.369 2.907 136 2HD1 LEU 19 2HD1 LEU 19 0.179 -3.508 1.493 137 3HD1 LEU 19 3HD1 LEU 19 0.458 -2.639 3.002 138 1HD2 LEU 19 1HD2 LEU 19 3.274 -1.681 0.717 139 2HD2 LEU 19 2HD2 LEU 19 1.851 -1.059 1.553 140 3HD2 LEU 19 3HD2 LEU 19 1.660 -2.099 0.142 141 H TYR 20 H TYR 20 3.760 -5.010 4.649 142 HA TYR 20 HA TYR 20 4.407 -7.457 3.131 143 1HB TYR 20 2HB TYR 20 5.287 -6.863 5.557 144 2HB TYR 20 1HB TYR 20 3.683 -7.396 6.048 145 HD1 TYR 20 HD1 TYR 20 6.216 -8.581 3.516 146 HD2 TYR 20 HD2 TYR 20 3.675 -9.565 6.835 147 HE1 TYR 20 HE1 TYR 20 6.975 -10.939 3.402 148 HE2 TYR 20 HE2 TYR 20 4.429 -11.917 6.725 149 HH TYR 20 HH TYR 20 7.116 -12.911 5.198 150 H ILE 21 H ILE 21 2.532 -7.518 1.863 151 HA ILE 21 HA ILE 21 -0.080 -7.158 2.966 152 HB ILE 21 HB ILE 21 1.102 -7.824 0.335 153 1HG1 ILE 21 2HG1 ILE 21 0.332 -5.557 1.159 154 2HG1 ILE 21 1HG1 ILE 21 -0.344 -6.061 -0.385 155 1HG2 ILE 21 1HG2 ILE 21 -1.640 -8.759 1.172 156 2HG2 ILE 21 2HG2 ILE 21 -0.399 -9.648 0.290 157 3HG2 ILE 21 3HG2 ILE 21 -1.276 -8.338 -0.500 158 1HD1 ILE 21 1HD1 ILE 21 -1.905 -6.856 2.010 159 2HD1 ILE 21 2HD1 ILE 21 -2.462 -6.260 0.447 160 3HD1 ILE 21 3HD1 ILE 21 -1.863 -5.129 1.660 161 H GLN 22 H GLN 22 -1.422 -8.546 3.863 162 HA GLN 22 HA GLN 22 -0.802 -11.439 3.755 163 1HB GLN 22 2HB GLN 22 -0.537 -9.875 5.998 164 2HB GLN 22 1HB GLN 22 -2.185 -10.469 6.174 165 1HG GLN 22 2HG GLN 22 0.321 -12.133 5.811 166 2HG GLN 22 1HG GLN 22 -0.694 -12.043 7.249 167 1HE2 GLN 22 1HE2 GLN 22 -3.268 -12.309 6.215 168 2HE2 GLN 22 2HE2 GLN 22 -3.423 -13.803 5.422 169 HA PRO 23 HA PRO 23 -5.099 -10.799 2.294 170 1HB PRO 23 2HB PRO 23 -4.706 -13.011 0.488 171 2HB PRO 23 1HB PRO 23 -4.883 -11.293 0.100 172 1HG PRO 23 2HG PRO 23 -2.577 -12.777 -0.211 173 2HG PRO 23 1HG PRO 23 -2.665 -11.011 -0.142 174 1HD PRO 23 2HD PRO 23 -1.815 -12.936 1.973 175 2HD PRO 23 1HD PRO 23 -1.282 -11.267 1.680 176 H LYS 24 H LYS 24 -6.975 -12.172 2.326 177 HA LYS 24 HA LYS 24 -8.327 -13.857 3.085 178 1HB LYS 24 2HB LYS 24 -5.807 -15.442 3.635 179 2HB LYS 24 1HB LYS 24 -7.450 -16.064 3.509 180 1HG LYS 24 2HG LYS 24 -7.566 -15.587 1.174 181 2HG LYS 24 1HG LYS 24 -6.112 -14.590 1.231 182 1HD LYS 24 2HD LYS 24 -5.901 -17.448 2.099 183 2HD LYS 24 1HD LYS 24 -6.008 -17.104 0.373 184 1HE LYS 24 2HE LYS 24 -4.006 -15.885 0.357 185 2HE LYS 24 1HE LYS 24 -4.069 -15.573 2.090 186 1HZ LYS 24 1HZ LYS 24 -3.861 -18.098 2.301 187 2HZ LYS 24 2HZ LYS 24 -2.471 -17.215 1.883 188 3HZ LYS 24 3HZ LYS 24 -3.332 -18.062 0.689 189 H ALA 25 H ALA 25 -7.853 -11.780 4.770 190 HA ALA 25 HA ALA 25 -7.259 -12.957 7.397 191 1HB ALA 25 1HB ALA 25 -6.409 -10.629 6.365 192 2HB ALA 25 2HB ALA 25 -6.719 -10.837 8.091 193 3HB ALA 25 3HB ALA 25 -7.931 -10.073 7.064 194 H SER 26 H SER 26 -9.564 -10.669 5.998 195 HA SER 26 HA SER 26 -11.974 -11.764 6.195 196 1HB SER 26 2HB SER 26 -11.871 -12.577 8.401 197 2HB SER 26 1HB SER 26 -11.023 -11.150 8.989 198 HG SER 26 HG SER 26 -13.033 -10.729 9.603 199 H ARG 27 H ARG 27 -9.977 -9.100 7.121 200 HA ARG 27 HA ARG 27 -11.626 -7.189 5.717 201 1HB ARG 27 2HB ARG 27 -11.375 -6.992 8.732 202 2HB ARG 27 1HB ARG 27 -11.909 -5.673 7.697 203 1HG ARG 27 2HG ARG 27 -13.711 -7.282 6.832 204 2HG ARG 27 1HG ARG 27 -13.284 -8.319 8.194 205 1HD ARG 27 2HD ARG 27 -13.610 -6.207 9.649 206 2HD ARG 27 1HD ARG 27 -14.444 -5.537 8.249 207 HE ARG 27 HE ARG 27 -15.575 -8.034 8.689 208 1HH1 ARG 27 1HH2 ARG 27 -15.166 -5.041 10.390 209 2HH1 ARG 27 2HH2 ARG 27 -16.603 -5.229 11.338 210 1HH2 ARG 27 1HH1 ARG 27 -17.444 -8.291 9.950 211 2HH2 ARG 27 2HH1 ARG 27 -17.889 -7.066 11.090 212 H ASP 28 H ASP 28 -10.422 -5.403 5.138 213 HA ASP 28 HA ASP 28 -7.610 -5.563 5.296 214 1HB ASP 28 2HB ASP 28 -8.228 -2.891 4.723 215 2HB ASP 28 1HB ASP 28 -7.833 -4.170 3.587 216 H SER 29 H SER 29 -6.931 -5.664 7.335 217 HA SER 29 HA SER 29 -7.303 -3.242 9.003 218 1HB SER 29 2HB SER 29 -7.264 -4.604 10.975 219 2HB SER 29 1HB SER 29 -8.440 -5.307 9.870 220 HG SER 29 HG SER 29 -7.053 -6.920 9.404 221 H ILE 30 H ILE 30 -5.532 -2.162 9.506 222 HA ILE 30 HA ILE 30 -2.899 -3.334 8.947 223 HB ILE 30 HB ILE 30 -2.417 -0.761 9.794 224 1HG1 ILE 30 2HG1 ILE 30 -5.110 -0.810 8.384 225 2HG1 ILE 30 1HG1 ILE 30 -4.798 -0.230 10.020 226 1HG2 ILE 30 1HG2 ILE 30 -3.219 -1.469 6.964 227 2HG2 ILE 30 2HG2 ILE 30 -1.703 -2.007 7.687 228 3HG2 ILE 30 3HG2 ILE 30 -2.021 -0.283 7.483 229 1HD1 ILE 30 1HD1 ILE 30 -3.041 1.322 8.765 230 2HD1 ILE 30 2HD1 ILE 30 -4.742 1.777 8.862 231 3HD1 ILE 30 3HD1 ILE 30 -4.112 1.032 7.393 232 H VAL 31 H VAL 31 -3.630 -4.752 10.828 233 HA VAL 31 HA VAL 31 -3.153 -3.601 13.474 234 HB VAL 31 HB VAL 31 -5.009 -5.278 12.618 235 1HG1 VAL 31 1HG1 VAL 31 -3.171 -7.261 13.901 236 2HG1 VAL 31 2HG1 VAL 31 -3.018 -6.944 12.172 237 3HG1 VAL 31 3HG1 VAL 31 -4.542 -7.538 12.829 238 1HG2 VAL 31 1HG2 VAL 31 -3.637 -5.194 15.309 239 2HG2 VAL 31 2HG2 VAL 31 -5.138 -6.085 15.049 240 3HG2 VAL 31 3HG2 VAL 31 -5.095 -4.338 14.811 241 H GLY 32 H GLY 32 -1.051 -4.303 11.338 242 1HA GLY 32 2HA GLY 32 0.769 -5.673 13.217 243 2HA GLY 32 1HA GLY 32 0.604 -6.300 11.581 244 H LEU 33 H LEU 33 0.310 -2.934 12.071 245 HA LEU 33 HA LEU 33 2.368 -2.234 10.296 246 1HB LEU 33 2HB LEU 33 0.988 -0.676 12.485 247 2HB LEU 33 1HB LEU 33 2.035 0.051 11.262 248 HG LEU 33 HG LEU 33 -0.604 -1.371 10.866 249 1HD1 LEU 33 1HD1 LEU 33 -0.774 0.856 9.409 250 2HD1 LEU 33 2HD1 LEU 33 0.475 1.402 10.528 251 3HD1 LEU 33 3HD1 LEU 33 -1.092 0.874 11.141 252 1HD2 LEU 33 1HD2 LEU 33 0.619 -2.302 9.097 253 2HD2 LEU 33 2HD2 LEU 33 1.663 -0.887 8.948 254 3HD2 LEU 33 3HD2 LEU 33 0.003 -0.821 8.357 255 H HIS 34 H HIS 34 4.486 -2.363 10.556 256 HA HIS 34 HA HIS 34 5.561 -2.379 13.301 257 1HB HIS 34 2HB HIS 34 5.819 -4.452 11.912 258 2HB HIS 34 1HB HIS 34 6.818 -3.524 10.804 259 HD1 HIS 34 HD1 HIS 34 7.167 -2.677 14.395 260 HD2 HIS 34 HD2 HIS 34 9.043 -5.206 11.664 261 HE1 HIS 34 HE1 HIS 34 9.329 -3.422 15.479 262 H GLY 35 H GLY 35 7.593 -1.344 13.704 263 1HA GLY 35 2HA GLY 35 7.823 1.240 12.543 264 2HA GLY 35 1HA GLY 35 8.967 0.502 13.660 265 H ASP 36 H ASP 36 9.076 -1.845 11.688 266 HA ASP 36 HA ASP 36 10.909 -0.589 9.727 267 1HB ASP 36 2HB ASP 36 11.194 -3.371 10.853 268 2HB ASP 36 1HB ASP 36 12.360 -2.468 9.896 269 H GLU 37 H GLU 37 8.045 -2.244 10.126 270 HA GLU 37 HA GLU 37 8.022 -2.986 7.299 271 1HB GLU 37 2HB GLU 37 7.167 -4.996 9.393 272 2HB GLU 37 1HB GLU 37 7.299 -5.241 7.652 273 1HG GLU 37 2HG GLU 37 9.753 -4.838 7.810 274 2HG GLU 37 1HG GLU 37 9.596 -4.696 9.559 275 H VAL 38 H VAL 38 5.682 -4.055 6.918 276 HA VAL 38 HA VAL 38 3.637 -2.625 8.472 277 HB VAL 38 HB VAL 38 4.194 -2.288 5.533 278 1HG1 VAL 38 1HG1 VAL 38 1.524 -1.860 6.917 279 2HG1 VAL 38 2HG1 VAL 38 1.855 -3.077 5.690 280 3HG1 VAL 38 3HG1 VAL 38 1.906 -1.368 5.268 281 1HG2 VAL 38 1HG2 VAL 38 3.980 0.040 6.034 282 2HG2 VAL 38 2HG2 VAL 38 4.943 -0.643 7.342 283 3HG2 VAL 38 3HG2 VAL 38 3.234 -0.293 7.596 284 H LYS 39 H LYS 39 2.391 -4.281 9.168 285 HA LYS 39 HA LYS 39 1.863 -6.451 7.242 286 1HB LYS 39 2HB LYS 39 2.583 -6.473 10.040 287 2HB LYS 39 1HB LYS 39 1.058 -7.328 9.775 288 1HG LYS 39 2HG LYS 39 2.136 -8.585 7.916 289 2HG LYS 39 1HG LYS 39 3.657 -7.781 8.292 290 1HD LYS 39 2HD LYS 39 3.640 -9.974 9.352 291 2HD LYS 39 1HD LYS 39 3.542 -8.736 10.600 292 1HE LYS 39 2HE LYS 39 1.237 -9.125 10.970 293 2HE LYS 39 1HE LYS 39 1.051 -9.987 9.444 294 1HZ LYS 39 1HZ LYS 39 2.853 -11.523 10.571 295 2HZ LYS 39 2HZ LYS 39 1.190 -11.742 10.846 296 3HZ LYS 39 3HZ LYS 39 2.142 -10.918 11.988 297 H VAL 40 H VAL 40 0.090 -5.940 6.196 298 HA VAL 40 HA VAL 40 -2.289 -5.142 7.757 299 HB VAL 40 HB VAL 40 -1.477 -3.470 6.070 300 1HG1 VAL 40 1HG1 VAL 40 -1.546 -3.941 3.740 301 2HG1 VAL 40 2HG1 VAL 40 -2.396 -5.463 3.992 302 3HG1 VAL 40 3HG1 VAL 40 -0.702 -5.312 4.460 303 1HG2 VAL 40 1HG2 VAL 40 -3.670 -3.014 5.178 304 2HG2 VAL 40 2HG2 VAL 40 -3.906 -3.751 6.762 305 3HG2 VAL 40 3HG2 VAL 40 -4.135 -4.709 5.299 306 H ALA 41 H ALA 41 -4.083 -6.379 7.620 307 HA ALA 41 HA ALA 41 -3.849 -8.868 6.075 308 1HB ALA 41 1HB ALA 41 -6.165 -8.749 7.794 309 2HB ALA 41 2HB ALA 41 -4.712 -8.321 8.698 310 3HB ALA 41 3HB ALA 41 -4.799 -9.862 7.844 311 H ILE 42 H ILE 42 -4.482 -8.208 4.021 312 HA ILE 42 HA ILE 42 -6.920 -6.687 3.666 313 HB ILE 42 HB ILE 42 -4.996 -6.433 2.121 314 1HG1 ILE 42 2HG1 ILE 42 -7.359 -7.645 0.663 315 2HG1 ILE 42 1HG1 ILE 42 -7.422 -6.056 1.425 316 1HG2 ILE 42 1HG2 ILE 42 -4.362 -8.887 2.226 317 2HG2 ILE 42 2HG2 ILE 42 -4.358 -8.184 0.610 318 3HG2 ILE 42 3HG2 ILE 42 -5.702 -9.203 1.122 319 1HD1 ILE 42 1HD1 ILE 42 -5.038 -6.395 -0.236 320 2HD1 ILE 42 2HD1 ILE 42 -6.237 -5.101 -0.246 321 3HD1 ILE 42 3HD1 ILE 42 -6.531 -6.583 -1.157 322 H THR 43 H THR 43 -8.841 -7.456 2.760 323 HA THR 43 HA THR 43 -9.364 -10.279 3.340 324 HB THR 43 HB THR 43 -10.898 -8.731 4.344 325 HG1 THR 43 HG1 THR 43 -11.687 -10.679 3.152 326 1HG2 THR 43 1HG2 THR 43 -10.667 -6.758 3.065 327 2HG2 THR 43 2HG2 THR 43 -12.324 -7.281 2.767 328 3HG2 THR 43 3HG2 THR 43 -11.074 -7.583 1.560 329 H ALA 44 H ALA 44 -7.857 -9.463 0.937 330 HA ALA 44 HA ALA 44 -9.728 -10.161 -1.216 331 1HB ALA 44 1HB ALA 44 -8.010 -8.220 -1.335 332 2HB ALA 44 2HB ALA 44 -8.184 -9.283 -2.730 333 3HB ALA 44 3HB ALA 44 -6.828 -9.497 -1.624 334 HA PRO 45 HA PRO 45 -8.153 -14.263 -1.598 335 1HB PRO 45 2HB PRO 45 -8.369 -14.289 -4.483 336 2HB PRO 45 1HB PRO 45 -9.494 -14.963 -3.291 337 1HG PRO 45 2HG PRO 45 -10.019 -12.822 -4.917 338 2HG PRO 45 1HG PRO 45 -10.848 -13.162 -3.392 339 1HD PRO 45 2HD PRO 45 -8.666 -11.185 -3.950 340 2HD PRO 45 1HD PRO 45 -10.054 -11.059 -2.844 341 HA PRO 46 HA PRO 46 -3.953 -14.422 -2.971 342 1HB PRO 46 2HB PRO 46 -4.066 -17.001 -4.262 343 2HB PRO 46 1HB PRO 46 -3.518 -16.617 -2.624 344 1HG PRO 46 2HG PRO 46 -5.783 -18.053 -3.242 345 2HG PRO 46 1HG PRO 46 -5.480 -17.234 -1.703 346 1HD PRO 46 2HD PRO 46 -7.198 -16.368 -3.994 347 2HD PRO 46 1HD PRO 46 -7.423 -16.108 -2.248 348 H VAL 47 H VAL 47 -6.281 -14.016 -5.245 349 HA VAL 47 HA VAL 47 -4.490 -14.316 -7.562 350 HB VAL 47 HB VAL 47 -6.794 -15.251 -7.707 351 1HG1 VAL 47 1HG1 VAL 47 -7.783 -13.344 -6.309 352 2HG1 VAL 47 2HG1 VAL 47 -8.709 -13.837 -7.725 353 3HG1 VAL 47 3HG1 VAL 47 -7.724 -12.377 -7.781 354 1HG2 VAL 47 1HG2 VAL 47 -7.158 -14.513 -9.936 355 2HG2 VAL 47 2HG2 VAL 47 -5.426 -14.304 -9.680 356 3HG2 VAL 47 3HG2 VAL 47 -6.504 -12.911 -9.599 357 H ASP 48 H ASP 48 -4.246 -12.583 -9.078 358 HA ASP 48 HA ASP 48 -3.690 -10.080 -7.833 359 1HB ASP 48 2HB ASP 48 -3.916 -10.190 -10.789 360 2HB ASP 48 1HB ASP 48 -2.629 -9.538 -9.778 361 H GLY 49 H GLY 49 -5.924 -10.844 -10.515 362 1HA GLY 49 2HA GLY 49 -7.242 -8.560 -10.943 363 2HA GLY 49 1HA GLY 49 -8.105 -10.090 -10.861 364 H GLN 50 H GLN 50 -8.123 -10.743 -8.256 365 HA GLN 50 HA GLN 50 -10.022 -8.884 -7.164 366 1HB GLN 50 2HB GLN 50 -8.818 -11.413 -6.015 367 2HB GLN 50 1HB GLN 50 -10.155 -10.511 -5.299 368 1HG GLN 50 2HG GLN 50 -10.493 -11.171 -8.165 369 2HG GLN 50 1HG GLN 50 -10.481 -12.556 -7.076 370 1HE2 GLN 50 1HE2 GLN 50 -12.029 -12.363 -5.134 371 2HE2 GLN 50 2HE2 GLN 50 -13.497 -11.546 -5.383 372 H ALA 51 H ALA 51 -6.808 -10.033 -6.059 373 HA ALA 51 HA ALA 51 -6.692 -8.396 -3.762 374 1HB ALA 51 1HB ALA 51 -4.307 -8.885 -3.744 375 2HB ALA 51 2HB ALA 51 -4.383 -9.439 -5.417 376 3HB ALA 51 3HB ALA 51 -5.211 -10.342 -4.149 377 H ASN 52 H ASN 52 -4.941 -7.973 -6.830 378 HA ASN 52 HA ASN 52 -3.876 -5.474 -6.447 379 1HB ASN 52 2HB ASN 52 -3.556 -7.009 -8.425 380 2HB ASN 52 1HB ASN 52 -5.086 -6.413 -9.056 381 1HD2 ASN 52 1HD2 ASN 52 -1.835 -5.936 -9.392 382 2HD2 ASN 52 2HD2 ASN 52 -1.827 -4.295 -9.825 383 H SER 53 H SER 53 -7.179 -6.284 -7.470 384 HA SER 53 HA SER 53 -8.044 -3.667 -8.059 385 1HB SER 53 2HB SER 53 -9.426 -6.214 -7.303 386 2HB SER 53 1HB SER 53 -10.345 -4.713 -7.334 387 HG SER 53 HG SER 53 -8.755 -5.765 -9.444 388 H HIS 54 H HIS 54 -8.364 -5.566 -5.045 389 HA HIS 54 HA HIS 54 -9.643 -3.623 -3.495 390 1HB HIS 54 2HB HIS 54 -8.249 -6.119 -3.017 391 2HB HIS 54 1HB HIS 54 -7.874 -4.937 -1.763 392 HD1 HIS 54 HD1 HIS 54 -11.215 -4.820 -3.457 393 HD2 HIS 54 HD2 HIS 54 -9.589 -6.252 0.107 394 HE1 HIS 54 HE1 HIS 54 -13.173 -5.396 -1.955 395 H LEU 55 H LEU 55 -6.135 -4.357 -3.561 396 HA LEU 55 HA LEU 55 -5.170 -2.391 -1.927 397 1HB LEU 55 2HB LEU 55 -4.037 -4.146 -3.701 398 2HB LEU 55 1HB LEU 55 -3.669 -2.598 -4.456 399 HG LEU 55 HG LEU 55 -1.842 -3.034 -2.992 400 1HD1 LEU 55 1HD1 LEU 55 -1.875 -1.168 -1.545 401 2HD1 LEU 55 2HD1 LEU 55 -3.606 -1.316 -1.245 402 3HD1 LEU 55 3HD1 LEU 55 -3.027 -0.740 -2.809 403 1HD2 LEU 55 1HD2 LEU 55 -2.067 -3.788 -0.713 404 2HD2 LEU 55 2HD2 LEU 55 -3.080 -4.832 -1.709 405 3HD2 LEU 55 3HD2 LEU 55 -3.814 -3.548 -0.747 406 H VAL 56 H VAL 56 -5.591 -2.036 -5.439 407 HA VAL 56 HA VAL 56 -5.046 0.685 -5.654 408 HB VAL 56 HB VAL 56 -6.571 -1.321 -7.252 409 1HG1 VAL 56 1HG1 VAL 56 -6.718 1.681 -7.672 410 2HG1 VAL 56 2HG1 VAL 56 -8.067 0.559 -7.485 411 3HG1 VAL 56 3HG1 VAL 56 -7.072 0.507 -8.939 412 1HG2 VAL 56 1HG2 VAL 56 -4.318 0.624 -7.833 413 2HG2 VAL 56 2HG2 VAL 56 -4.944 -0.566 -8.974 414 3HG2 VAL 56 3HG2 VAL 56 -4.144 -1.097 -7.494 415 H LYS 57 H LYS 57 -7.856 -0.960 -4.446 416 HA LYS 57 HA LYS 57 -9.563 1.396 -4.545 417 1HB LYS 57 2HB LYS 57 -10.219 -1.156 -4.709 418 2HB LYS 57 1HB LYS 57 -10.233 -1.047 -2.949 419 1HG LYS 57 2HG LYS 57 -11.791 0.878 -3.093 420 2HG LYS 57 1HG LYS 57 -11.795 0.724 -4.848 421 1HD LYS 57 2HD LYS 57 -13.698 -0.497 -4.289 422 2HD LYS 57 1HD LYS 57 -12.477 -1.768 -4.347 423 1HE LYS 57 2HE LYS 57 -12.173 -1.078 -1.783 424 2HE LYS 57 1HE LYS 57 -13.845 -0.556 -1.983 425 1HZ LYS 57 1HZ LYS 57 -12.734 -3.262 -2.465 426 2HZ LYS 57 2HZ LYS 57 -14.298 -2.795 -2.935 427 3HZ LYS 57 3HZ LYS 57 -13.870 -2.809 -1.290 428 H PHE 58 H PHE 58 -8.504 -0.743 -1.873 429 HA PHE 58 HA PHE 58 -9.206 0.876 0.250 430 1HB PHE 58 2HB PHE 58 -8.260 -1.516 0.255 431 2HB PHE 58 1HB PHE 58 -6.670 -0.759 0.252 432 HD1 PHE 58 HD1 PHE 58 -9.962 -0.523 2.048 433 HD2 PHE 58 HD2 PHE 58 -5.682 -0.247 2.315 434 HE1 PHE 58 HE1 PHE 58 -10.134 -0.176 4.496 435 HE2 PHE 58 HE2 PHE 58 -5.857 0.101 4.761 436 HZ PHE 58 HZ PHE 58 -8.083 0.136 5.854 437 H LEU 59 H LEU 59 -6.190 0.948 -1.634 438 HA LEU 59 HA LEU 59 -5.141 3.132 -0.025 439 1HB LEU 59 2HB LEU 59 -3.755 1.262 -1.152 440 2HB LEU 59 1HB LEU 59 -3.974 2.186 -2.638 441 HG LEU 59 HG LEU 59 -3.186 4.212 -1.135 442 1HD1 LEU 59 1HD1 LEU 59 -1.455 3.405 0.513 443 2HD1 LEU 59 2HD1 LEU 59 -2.106 1.778 0.313 444 3HD1 LEU 59 3HD1 LEU 59 -3.117 3.056 0.986 445 1HD2 LEU 59 1HD2 LEU 59 -0.760 3.509 -1.669 446 2HD2 LEU 59 2HD2 LEU 59 -1.883 3.610 -3.026 447 3HD2 LEU 59 3HD2 LEU 59 -1.465 2.039 -2.340 448 H GLY 60 H GLY 60 -6.485 2.651 -3.267 449 1HA GLY 60 2HA GLY 60 -6.025 5.214 -4.303 450 2HA GLY 60 1HA GLY 60 -7.327 4.144 -4.805 451 H LYS 61 H LYS 61 -8.551 4.012 -2.158 452 HA LYS 61 HA LYS 61 -10.122 6.435 -2.339 453 1HB LYS 61 2HB LYS 61 -11.648 5.378 -0.886 454 2HB LYS 61 1HB LYS 61 -10.992 4.058 -1.853 455 1HG LYS 61 2HG LYS 61 -9.238 3.832 0.050 456 2HG LYS 61 1HG LYS 61 -10.374 4.779 1.008 457 1HD LYS 61 2HD LYS 61 -10.958 2.146 -0.386 458 2HD LYS 61 1HD LYS 61 -10.798 2.395 1.352 459 1HE LYS 61 2HE LYS 61 -12.695 4.228 0.872 460 2HE LYS 61 1HE LYS 61 -13.042 3.137 -0.469 461 1HZ LYS 61 1HZ LYS 61 -13.886 2.828 2.096 462 2HZ LYS 61 2HZ LYS 61 -12.574 1.753 1.994 463 3HZ LYS 61 3HZ LYS 61 -13.872 1.619 0.906 464 H GLN 62 H GLN 62 -7.774 5.043 -0.089 465 HA GLN 62 HA GLN 62 -8.139 7.073 1.913 466 1HB GLN 62 2HB GLN 62 -6.076 4.923 1.449 467 2HB GLN 62 1HB GLN 62 -5.893 6.112 2.738 468 1HG GLN 62 2HG GLN 62 -8.536 5.264 2.994 469 2HG GLN 62 1HG GLN 62 -7.662 3.789 2.600 470 1HE2 GLN 62 1HE2 GLN 62 -7.810 6.467 4.955 471 2HE2 GLN 62 2HE2 GLN 62 -6.950 5.655 6.171 472 H PHE 63 H PHE 63 -5.807 6.484 -0.690 473 HA PHE 63 HA PHE 63 -4.365 8.939 -0.102 474 1HB PHE 63 2HB PHE 63 -3.874 6.524 -1.639 475 2HB PHE 63 1HB PHE 63 -3.491 7.969 -2.572 476 HD1 PHE 63 HD1 PHE 63 -2.641 5.953 0.371 477 HD2 PHE 63 HD2 PHE 63 -1.829 9.594 -1.765 478 HE1 PHE 63 HE1 PHE 63 -0.568 6.268 1.697 479 HE2 PHE 63 HE2 PHE 63 0.245 9.907 -0.437 480 HZ PHE 63 HZ PHE 63 0.873 8.245 1.293 481 H ARG 64 H ARG 64 -6.993 7.911 -2.027 482 HA ARG 64 HA ARG 64 -8.350 8.967 -3.525 483 1HB ARG 64 2HB ARG 64 -7.170 11.122 -1.902 484 2HB ARG 64 1HB ARG 64 -7.825 11.624 -3.455 485 1HG ARG 64 2HG ARG 64 -9.970 10.571 -2.934 486 2HG ARG 64 1HG ARG 64 -9.322 9.955 -1.415 487 1HD ARG 64 2HD ARG 64 -10.453 11.889 -0.733 488 2HD ARG 64 1HD ARG 64 -8.795 12.459 -0.904 489 HE ARG 64 HE ARG 64 -10.332 12.758 -3.324 490 1HH1 ARG 64 1HH2 ARG 64 -11.911 14.132 -1.102 491 2HH1 ARG 64 2HH2 ARG 64 -11.276 15.742 -1.174 492 1HH2 ARG 64 1HH1 ARG 64 -8.501 14.849 -3.047 493 2HH2 ARG 64 2HH1 ARG 64 -9.349 16.147 -2.274 494 H VAL 65 H VAL 65 -5.215 8.544 -4.040 495 HA VAL 65 HA VAL 65 -4.602 10.324 -6.181 496 HB VAL 65 HB VAL 65 -2.804 8.710 -6.726 497 1HG1 VAL 65 1HG1 VAL 65 -2.045 8.572 -4.107 498 2HG1 VAL 65 2HG1 VAL 65 -3.265 9.844 -4.042 499 3HG1 VAL 65 3HG1 VAL 65 -1.875 10.007 -5.116 500 1HG2 VAL 65 1HG2 VAL 65 -2.559 6.703 -5.235 501 2HG2 VAL 65 2HG2 VAL 65 -3.953 6.614 -6.311 502 3HG2 VAL 65 3HG2 VAL 65 -4.179 7.026 -4.611 503 H ALA 66 H ALA 66 -4.020 9.233 -8.415 504 HA ALA 66 HA ALA 66 -6.548 8.202 -9.455 505 1HB ALA 66 1HB ALA 66 -4.982 10.079 -10.461 506 2HB ALA 66 2HB ALA 66 -5.866 8.979 -11.518 507 3HB ALA 66 3HB ALA 66 -4.158 8.696 -11.182 508 H LYS 67 H LYS 67 -6.477 6.456 -11.111 509 HA LYS 67 HA LYS 67 -5.205 4.119 -10.049 510 1HB LYS 67 2HB LYS 67 -6.181 2.982 -12.027 511 2HB LYS 67 1HB LYS 67 -7.374 3.948 -11.161 512 1HG LYS 67 2HG LYS 67 -7.810 5.084 -13.055 513 2HG LYS 67 1HG LYS 67 -6.145 5.663 -13.077 514 1HD LYS 67 2HD LYS 67 -6.378 4.546 -15.146 515 2HD LYS 67 1HD LYS 67 -5.569 3.363 -14.120 516 1HE LYS 67 2HE LYS 67 -7.330 2.169 -15.198 517 2HE LYS 67 1HE LYS 67 -7.902 2.468 -13.557 518 1HZ LYS 67 1HZ LYS 67 -9.650 3.463 -14.449 519 2HZ LYS 67 2HZ LYS 67 -9.003 3.343 -16.015 520 3HZ LYS 67 3HZ LYS 67 -8.628 4.681 -15.037 521 H SER 68 H SER 68 -4.382 6.541 -12.310 522 HA SER 68 HA SER 68 -2.344 4.987 -13.684 523 1HB SER 68 2HB SER 68 -3.753 7.490 -14.086 524 2HB SER 68 1HB SER 68 -2.013 7.708 -14.271 525 HG SER 68 HG SER 68 -3.809 6.316 -15.818 526 H GLN 69 H GLN 69 -2.627 6.765 -10.811 527 HA GLN 69 HA GLN 69 0.240 7.432 -10.727 528 1HB GLN 69 2HB GLN 69 -2.057 8.249 -8.937 529 2HB GLN 69 1HB GLN 69 -0.376 8.726 -8.695 530 1HG GLN 69 2HG GLN 69 -0.330 9.884 -10.818 531 2HG GLN 69 1HG GLN 69 -1.925 9.267 -11.241 532 1HE2 GLN 69 1HE2 GLN 69 -2.312 11.747 -11.448 533 2HE2 GLN 69 2HE2 GLN 69 -2.807 12.560 -10.041 534 H VAL 70 H VAL 70 -1.679 4.873 -9.933 535 HA VAL 70 HA VAL 70 -0.065 4.195 -7.555 536 HB VAL 70 HB VAL 70 -2.443 4.231 -7.054 537 1HG1 VAL 70 1HG1 VAL 70 -2.998 3.689 -9.565 538 2HG1 VAL 70 2HG1 VAL 70 -4.090 3.145 -8.295 539 3HG1 VAL 70 3HG1 VAL 70 -2.947 2.015 -9.019 540 1HG2 VAL 70 1HG2 VAL 70 -0.880 2.377 -6.190 541 2HG2 VAL 70 2HG2 VAL 70 -1.680 1.322 -7.354 542 3HG2 VAL 70 3HG2 VAL 70 -2.614 2.081 -6.064 543 H VAL 71 H VAL 71 1.696 3.218 -8.380 544 HA VAL 71 HA VAL 71 1.269 0.979 -10.278 545 HB VAL 71 HB VAL 71 3.665 2.778 -9.867 546 1HG1 VAL 71 1HG1 VAL 71 4.572 1.413 -11.838 547 2HG1 VAL 71 2HG1 VAL 71 3.333 0.219 -11.450 548 3HG1 VAL 71 3HG1 VAL 71 4.582 0.611 -10.268 549 1HG2 VAL 71 1HG2 VAL 71 1.822 2.266 -12.228 550 2HG2 VAL 71 2HG2 VAL 71 3.234 3.324 -12.251 551 3HG2 VAL 71 3HG2 VAL 71 1.849 3.724 -11.234 552 H ILE 72 H ILE 72 1.414 -0.953 -9.404 553 HA ILE 72 HA ILE 72 2.898 -1.423 -6.914 554 HB ILE 72 HB ILE 72 1.176 -3.293 -8.572 555 1HG1 ILE 72 2HG1 ILE 72 0.509 -1.821 -6.003 556 2HG1 ILE 72 1HG1 ILE 72 -0.007 -1.284 -7.601 557 1HG2 ILE 72 1HG2 ILE 72 2.844 -4.412 -7.096 558 2HG2 ILE 72 2HG2 ILE 72 1.188 -4.695 -6.562 559 3HG2 ILE 72 3HG2 ILE 72 2.196 -3.517 -5.721 560 1HD1 ILE 72 1HD1 ILE 72 -1.787 -2.597 -6.530 561 2HD1 ILE 72 2HD1 ILE 72 -0.680 -3.954 -6.328 562 3HD1 ILE 72 3HD1 ILE 72 -1.165 -3.446 -7.945 563 H GLU 73 H GLU 73 5.030 -1.217 -7.668 564 HA GLU 73 HA GLU 73 6.051 -2.743 -9.870 565 1HB GLU 73 2HB GLU 73 7.172 -0.969 -7.756 566 2HB GLU 73 1HB GLU 73 8.277 -2.118 -8.506 567 1HG GLU 73 2HG GLU 73 6.506 -0.634 -10.368 568 2HG GLU 73 1HG GLU 73 7.735 0.327 -9.551 569 H LYS 74 H LYS 74 4.747 -3.924 -7.229 570 HA LYS 74 HA LYS 74 5.706 -6.477 -7.314 571 1HB LYS 74 2HB LYS 74 7.601 -4.725 -5.979 572 2HB LYS 74 1HB LYS 74 6.981 -5.940 -4.863 573 1HG LYS 74 2HG LYS 74 7.800 -7.722 -6.129 574 2HG LYS 74 1HG LYS 74 7.842 -6.776 -7.618 575 1HD LYS 74 2HD LYS 74 9.747 -5.497 -6.821 576 2HD LYS 74 1HD LYS 74 9.649 -6.267 -5.237 577 1HE LYS 74 2HE LYS 74 11.400 -7.188 -6.904 578 2HE LYS 74 1HE LYS 74 10.370 -8.356 -6.075 579 1HZ LYS 74 1HZ LYS 74 9.112 -8.714 -7.955 580 2HZ LYS 74 2HZ LYS 74 10.663 -8.515 -8.617 581 3HZ LYS 74 3HZ LYS 74 9.542 -7.239 -8.671 582 H GLY 75 H GLY 75 4.607 -7.759 -5.843 583 1HA GLY 75 2HA GLY 75 3.512 -7.857 -3.587 584 2HA GLY 75 1HA GLY 75 2.771 -6.320 -4.015 585 H GLU 76 H GLU 76 2.712 -7.479 -6.874 586 HA GLU 76 HA GLU 76 0.080 -8.004 -7.213 587 1HB GLU 76 2HB GLU 76 2.021 -8.009 -8.943 588 2HB GLU 76 1HB GLU 76 2.059 -9.748 -8.651 589 1HG GLU 76 2HG GLU 76 -0.524 -9.614 -9.029 590 2HG GLU 76 1HG GLU 76 -0.165 -8.077 -9.804 591 H LEU 77 H LEU 77 2.512 -10.430 -6.266 592 HA LEU 77 HA LEU 77 0.311 -12.130 -5.275 593 1HB LEU 77 2HB LEU 77 1.635 -12.748 -7.560 594 2HB LEU 77 1HB LEU 77 2.674 -13.535 -6.376 595 HG LEU 77 HG LEU 77 0.965 -15.109 -7.113 596 1HD1 LEU 77 1HD1 LEU 77 0.050 -14.193 -4.388 597 2HD1 LEU 77 2HD1 LEU 77 1.658 -14.884 -4.621 598 3HD1 LEU 77 3HD1 LEU 77 0.224 -15.838 -4.999 599 1HD2 LEU 77 1HD2 LEU 77 -1.298 -14.638 -7.242 600 2HD2 LEU 77 2HD2 LEU 77 -0.644 -13.035 -7.565 601 3HD2 LEU 77 3HD2 LEU 77 -1.231 -13.436 -5.953 602 H GLY 78 H GLY 78 3.807 -11.461 -5.195 603 1HA GLY 78 2HA GLY 78 4.375 -13.018 -2.888 604 2HA GLY 78 1HA GLY 78 5.382 -11.731 -3.536 605 H ARG 79 H ARG 79 4.783 -12.369 -0.740 606 HA ARG 79 HA ARG 79 2.916 -10.578 0.397 607 1HB ARG 79 2HB ARG 79 5.511 -11.543 1.630 608 2HB ARG 79 1HB ARG 79 4.100 -10.928 2.489 609 1HG ARG 79 2HG ARG 79 2.751 -12.806 1.707 610 2HG ARG 79 1HG ARG 79 4.096 -13.403 0.733 611 1HD ARG 79 2HD ARG 79 5.441 -13.683 2.801 612 2HD ARG 79 1HD ARG 79 4.060 -13.148 3.754 613 HE ARG 79 HE ARG 79 3.340 -15.341 2.077 614 1HH1 ARG 79 1HH2 ARG 79 6.016 -15.984 3.584 615 2HH1 ARG 79 2HH2 ARG 79 5.393 -16.866 4.939 616 1HH2 ARG 79 1HH1 ARG 79 2.118 -15.848 4.435 617 2HH2 ARG 79 2HH1 ARG 79 3.188 -16.789 5.419 618 H HIS 80 H HIS 80 6.225 -10.189 -0.707 619 HA HIS 80 HA HIS 80 6.650 -7.594 0.444 620 1HB HIS 80 2HB HIS 80 8.379 -7.492 -1.531 621 2HB HIS 80 1HB HIS 80 8.659 -8.619 -0.205 622 HD1 HIS 80 HD1 HIS 80 8.453 -11.130 -0.703 623 HD2 HIS 80 HD2 HIS 80 7.496 -8.736 -3.979 624 HE1 HIS 80 HE1 HIS 80 8.288 -12.680 -2.698 625 H LYS 81 H LYS 81 5.871 -5.653 -0.282 626 HA LYS 81 HA LYS 81 4.751 -5.582 -3.008 627 1HB LYS 81 2HB LYS 81 2.858 -6.053 -1.692 628 2HB LYS 81 1HB LYS 81 3.392 -5.005 -0.387 629 1HG LYS 81 2HG LYS 81 2.936 -3.028 -1.720 630 2HG LYS 81 1HG LYS 81 2.556 -4.023 -3.130 631 1HD LYS 81 2HD LYS 81 1.072 -4.638 -0.621 632 2HD LYS 81 1HD LYS 81 0.645 -3.140 -1.430 633 1HE LYS 81 2HE LYS 81 -0.787 -4.743 -2.417 634 2HE LYS 81 1HE LYS 81 0.511 -4.552 -3.592 635 1HZ LYS 81 1HZ LYS 81 1.114 -6.523 -1.613 636 2HZ LYS 81 2HZ LYS 81 1.145 -6.648 -3.306 637 3HZ LYS 81 3HZ LYS 81 -0.307 -6.895 -2.459 638 H GLN 82 H GLN 82 4.940 -3.637 -4.048 639 HA GLN 82 HA GLN 82 5.957 -1.335 -2.532 640 1HB GLN 82 2HB GLN 82 7.216 -1.784 -5.184 641 2HB GLN 82 1HB GLN 82 7.902 -1.100 -3.715 642 1HG GLN 82 2HG GLN 82 7.245 -4.013 -3.666 643 2HG GLN 82 1HG GLN 82 8.617 -3.517 -4.644 644 1HE2 GLN 82 1HE2 GLN 82 10.497 -2.652 -3.550 645 2HE2 GLN 82 2HE2 GLN 82 10.666 -2.736 -1.864 646 H ILE 83 H ILE 83 4.525 0.207 -2.924 647 HA ILE 83 HA ILE 83 3.306 0.337 -5.612 648 HB ILE 83 HB ILE 83 2.050 1.528 -3.156 649 1HG1 ILE 83 2HG1 ILE 83 1.736 -1.336 -4.126 650 2HG1 ILE 83 1HG1 ILE 83 2.569 -0.855 -2.649 651 1HG2 ILE 83 1HG2 ILE 83 0.011 1.204 -4.465 652 2HG2 ILE 83 2HG2 ILE 83 0.915 0.342 -5.709 653 3HG2 ILE 83 3HG2 ILE 83 1.201 2.061 -5.443 654 1HD1 ILE 83 1HD1 ILE 83 -0.105 0.308 -2.830 655 2HD1 ILE 83 2HD1 ILE 83 0.630 -0.617 -1.521 656 3HD1 ILE 83 3HD1 ILE 83 -0.136 -1.454 -2.870 657 H LYS 84 H LYS 84 3.426 2.190 -6.719 658 HA LYS 84 HA LYS 84 4.908 4.411 -5.467 659 1HB LYS 84 2HB LYS 84 5.435 3.093 -7.799 660 2HB LYS 84 1HB LYS 84 4.464 4.440 -8.389 661 1HG LYS 84 2HG LYS 84 6.591 5.071 -6.392 662 2HG LYS 84 1HG LYS 84 7.116 4.648 -8.020 663 1HD LYS 84 2HD LYS 84 6.828 6.966 -8.183 664 2HD LYS 84 1HD LYS 84 5.290 6.354 -8.787 665 1HE LYS 84 2HE LYS 84 4.168 7.381 -7.122 666 2HE LYS 84 1HE LYS 84 5.183 6.610 -5.906 667 1HZ LYS 84 1HZ LYS 84 5.349 9.258 -7.029 668 2HZ LYS 84 2HZ LYS 84 6.842 8.452 -6.945 669 3HZ LYS 84 3HZ LYS 84 5.911 8.673 -5.541 670 H ILE 85 H ILE 85 3.521 5.819 -4.620 671 HA ILE 85 HA ILE 85 0.994 6.410 -5.981 672 HB ILE 85 HB ILE 85 2.096 6.884 -3.221 673 1HG1 ILE 85 2HG1 ILE 85 0.024 5.802 -2.558 674 2HG1 ILE 85 1HG1 ILE 85 -0.601 5.892 -4.204 675 1HG2 ILE 85 1HG2 ILE 85 -0.277 8.135 -3.026 676 2HG2 ILE 85 2HG2 ILE 85 0.124 8.581 -4.683 677 3HG2 ILE 85 3HG2 ILE 85 1.217 9.006 -3.365 678 1HD1 ILE 85 1HD1 ILE 85 0.407 3.639 -3.435 679 2HD1 ILE 85 2HD1 ILE 85 1.971 4.436 -3.585 680 3HD1 ILE 85 3HD1 ILE 85 0.926 4.269 -4.997 681 H ILE 86 H ILE 86 1.664 7.632 -7.739 682 HA ILE 86 HA ILE 86 3.428 9.894 -7.457 683 HB ILE 86 HB ILE 86 1.605 9.189 -9.770 684 1HG1 ILE 86 2HG1 ILE 86 4.510 8.430 -9.316 685 2HG1 ILE 86 1HG1 ILE 86 3.151 7.326 -9.105 686 1HG2 ILE 86 1HG2 ILE 86 2.366 11.354 -10.195 687 2HG2 ILE 86 2HG2 ILE 86 3.638 10.389 -10.943 688 3HG2 ILE 86 3HG2 ILE 86 3.890 11.094 -9.347 689 1HD1 ILE 86 1HD1 ILE 86 3.823 6.864 -11.301 690 2HD1 ILE 86 2HD1 ILE 86 4.207 8.552 -11.640 691 3HD1 ILE 86 3HD1 ILE 86 2.524 8.033 -11.546 692 H ASN 87 H ASN 87 2.851 12.099 -7.859 693 HA ASN 87 HA ASN 87 1.665 13.949 -7.115 694 1HB ASN 87 2HB ASN 87 0.023 12.553 -9.194 695 2HB ASN 87 1HB ASN 87 -0.639 13.977 -8.396 696 1HD2 ASN 87 1HD2 ASN 87 2.803 13.367 -9.214 697 2HD2 ASN 87 2HD2 ASN 87 2.942 14.693 -10.264 698 HA PRO 88 HA PRO 88 -0.899 11.677 -3.999 699 1HB PRO 88 2HB PRO 88 0.609 12.981 -1.916 700 2HB PRO 88 1HB PRO 88 0.560 11.259 -2.323 701 1HG PRO 88 2HG PRO 88 2.733 12.934 -2.664 702 2HG PRO 88 1HG PRO 88 2.504 11.364 -3.448 703 1HD PRO 88 2HD PRO 88 2.156 14.100 -4.576 704 2HD PRO 88 1HD PRO 88 2.609 12.586 -5.391 705 H GLN 89 H GLN 89 -2.753 12.544 -3.282 706 HA GLN 89 HA GLN 89 -2.928 15.487 -3.027 707 1HB GLN 89 2HB GLN 89 -5.137 13.490 -3.602 708 2HB GLN 89 1HB GLN 89 -5.303 15.245 -3.554 709 1HG GLN 89 2HG GLN 89 -3.387 13.840 -5.430 710 2HG GLN 89 1HG GLN 89 -5.048 14.222 -5.877 711 1HE2 GLN 89 1HE2 GLN 89 -5.645 16.545 -5.985 712 2HE2 GLN 89 2HE2 GLN 89 -4.439 17.725 -6.176 713 H GLN 90 H GLN 90 -3.352 12.439 -1.451 714 HA GLN 90 HA GLN 90 -3.926 13.801 1.065 715 1HB GLN 90 2HB GLN 90 -6.156 13.308 0.318 716 2HB GLN 90 1HB GLN 90 -5.701 11.667 -0.139 717 1HG GLN 90 2HG GLN 90 -5.550 10.947 2.079 718 2HG GLN 90 1HG GLN 90 -5.308 12.578 2.699 719 1HE2 GLN 90 1HE2 GLN 90 -7.599 10.162 2.576 720 2HE2 GLN 90 2HE2 GLN 90 -9.002 11.109 2.705 721 H ILE 91 H ILE 91 -2.504 13.062 2.471 722 HA ILE 91 HA ILE 91 -1.518 10.288 2.200 723 HB ILE 91 HB ILE 91 0.231 11.968 1.825 724 1HG1 ILE 91 2HG1 ILE 91 0.877 10.973 4.567 725 2HG1 ILE 91 1HG1 ILE 91 0.449 9.765 3.356 726 1HG2 ILE 91 1HG2 ILE 91 -1.041 13.612 3.465 727 2HG2 ILE 91 2HG2 ILE 91 0.712 13.707 3.288 728 3HG2 ILE 91 3HG2 ILE 91 0.010 12.876 4.676 729 1HD1 ILE 91 1HD1 ILE 91 2.218 10.463 1.900 730 2HD1 ILE 91 2HD1 ILE 91 2.928 10.326 3.507 731 3HD1 ILE 91 3HD1 ILE 91 2.520 11.914 2.856 732 HA PRO 92 HA PRO 92 -3.741 9.816 6.045 733 1HB PRO 92 2HB PRO 92 -2.676 7.156 6.330 734 2HB PRO 92 1HB PRO 92 -4.311 7.644 5.865 735 1HG PRO 92 2HG PRO 92 -2.371 6.474 4.224 736 2HG PRO 92 1HG PRO 92 -3.910 7.179 3.721 737 1HD PRO 92 2HD PRO 92 -1.201 8.249 3.394 738 2HD PRO 92 1HD PRO 92 -2.711 8.749 2.606 739 HA PRO 93 HA PRO 93 -0.825 10.846 9.174 740 1HB PRO 93 2HB PRO 93 -2.087 9.247 11.200 741 2HB PRO 93 1HB PRO 93 -2.200 10.995 10.957 742 1HG PRO 93 2HG PRO 93 -4.117 8.928 10.314 743 2HG PRO 93 1HG PRO 93 -4.325 10.682 10.345 744 1HD PRO 93 2HD PRO 93 -4.279 9.110 8.044 745 2HD PRO 93 1HD PRO 93 -4.023 10.866 8.090 746 H GLU 94 H GLU 94 -1.718 7.483 8.685 747 HA GLU 94 HA GLU 94 0.162 6.166 10.256 748 1HB GLU 94 2HB GLU 94 -1.735 5.205 8.804 749 2HB GLU 94 1HB GLU 94 -0.566 5.245 7.484 750 1HG GLU 94 2HG GLU 94 0.087 3.945 10.133 751 2HG GLU 94 1HG GLU 94 -0.733 3.058 8.851 752 H VAL 95 H VAL 95 0.480 6.991 6.796 753 HA VAL 95 HA VAL 95 3.292 6.379 6.762 754 HB VAL 95 HB VAL 95 2.005 8.079 4.658 755 1HG1 VAL 95 1HG1 VAL 95 4.416 7.196 4.649 756 2HG1 VAL 95 2HG1 VAL 95 3.455 6.871 3.206 757 3HG1 VAL 95 3HG1 VAL 95 3.715 5.597 4.398 758 1HG2 VAL 95 1HG2 VAL 95 1.156 5.867 3.659 759 2HG2 VAL 95 2HG2 VAL 95 0.224 6.530 5.000 760 3HG2 VAL 95 3HG2 VAL 95 1.340 5.192 5.277 761 H ALA 96 H ALA 96 1.340 9.099 7.510 762 HA ALA 96 HA ALA 96 3.324 11.126 7.031 763 1HB ALA 96 1HB ALA 96 1.183 11.674 8.991 764 2HB ALA 96 2HB ALA 96 0.639 11.205 7.382 765 3HB ALA 96 3HB ALA 96 1.693 12.604 7.583 766 H ALA 97 H ALA 97 2.338 9.167 9.790 767 HA ALA 97 HA ALA 97 3.608 10.576 11.847 768 1HB ALA 97 1HB ALA 97 3.462 8.571 13.129 769 2HB ALA 97 2HB ALA 97 3.439 7.565 11.682 770 3HB ALA 97 3HB ALA 97 2.053 8.583 12.071 771 H LEU 98 H LEU 98 4.952 8.755 9.256 772 HA LEU 98 HA LEU 98 7.565 8.576 10.606 773 1HB LEU 98 2HB LEU 98 6.719 7.353 7.973 774 2HB LEU 98 1HB LEU 98 8.183 6.997 8.887 775 HG LEU 98 HG LEU 98 5.397 6.561 10.002 776 1HD1 LEU 98 1HD1 LEU 98 7.237 4.655 8.530 777 2HD1 LEU 98 2HD1 LEU 98 5.590 5.108 8.087 778 3HD1 LEU 98 3HD1 LEU 98 5.879 4.126 9.523 779 1HD2 LEU 98 1HD2 LEU 98 6.966 6.657 11.777 780 2HD2 LEU 98 2HD2 LEU 98 8.205 5.825 10.841 781 3HD2 LEU 98 3HD2 LEU 98 6.808 4.934 11.444 782 H ILE 99 H ILE 99 5.860 10.206 8.051 783 HA ILE 99 HA ILE 99 8.349 11.302 6.938 784 HB ILE 99 HB ILE 99 5.466 11.532 6.037 785 1HG1 ILE 99 2HG1 ILE 99 7.804 10.182 4.663 786 2HG1 ILE 99 1HG1 ILE 99 6.750 9.319 5.781 787 1HG2 ILE 99 1HG2 ILE 99 6.521 13.551 5.343 788 2HG2 ILE 99 2HG2 ILE 99 6.629 12.483 3.945 789 3HG2 ILE 99 3HG2 ILE 99 8.037 12.725 4.979 790 1HD1 ILE 99 1HD1 ILE 99 4.899 9.479 4.375 791 2HD1 ILE 99 2HD1 ILE 99 6.205 9.317 3.203 792 3HD1 ILE 99 3HD1 ILE 99 5.521 10.906 3.548 793 H ASN 100 H ASN 100 5.611 12.186 8.899 794 HA ASN 100 HA ASN 100 6.140 15.038 8.743 795 1HB ASN 100 2HB ASN 100 3.850 13.792 9.109 796 2HB ASN 100 1HB ASN 100 4.349 13.801 10.800 797 1HD2 ASN 100 1HD2 ASN 100 4.236 16.120 8.025 798 2HD2 ASN 100 2HD2 ASN 100 3.709 17.431 8.964 799 H LEU 101 H LEU 101 7.375 12.412 10.466 800 HA LEU 101 HA LEU 101 7.850 13.639 12.992 801 1HB LEU 101 2HB LEU 101 7.941 11.163 12.527 802 2HB LEU 101 1HB LEU 101 9.479 11.432 11.710 803 HG LEU 101 HG LEU 101 10.035 12.724 13.989 804 1HD1 LEU 101 1HD1 LEU 101 7.691 12.223 14.838 805 2HD1 LEU 101 2HD1 LEU 101 8.998 11.725 15.911 806 3HD1 LEU 101 3HD1 LEU 101 8.167 10.528 14.918 807 1HD2 LEU 101 1HD2 LEU 101 11.294 10.810 13.055 808 2HD2 LEU 101 2HD2 LEU 101 10.080 9.701 13.693 809 3HD2 LEU 101 3HD2 LEU 101 11.084 10.639 14.797 810 H GLU 102 H GLU 102 10.477 12.626 10.825 811 HA GLU 102 HA GLU 102 12.523 13.600 10.404 812 1HB GLU 102 2HB GLU 102 11.045 16.219 10.225 813 2HB GLU 102 1HB GLU 102 12.411 15.655 9.265 814 1HG GLU 102 2HG GLU 102 9.562 14.623 9.152 815 2HG GLU 102 1HG GLU 102 10.410 15.524 7.899 816 H HIS 103 H HIS 103 11.449 13.609 13.211 817 HA HIS 103 HA HIS 103 13.426 15.471 14.319 818 1HB HIS 103 2HB HIS 103 10.849 16.262 14.300 819 2HB HIS 103 1HB HIS 103 10.841 15.302 15.779 820 HD1 HIS 103 HD1 HIS 103 12.507 18.309 14.216 821 HD2 HIS 103 HD2 HIS 103 12.261 16.436 17.932 822 HE1 HIS 103 HE1 HIS 103 13.583 19.883 15.882 823 H HIS 104 H HIS 104 14.734 14.270 15.513 824 HA HIS 104 HA HIS 104 14.390 11.628 16.237 825 1HB HIS 104 2HB HIS 104 16.018 13.758 17.639 826 2HB HIS 104 1HB HIS 104 16.189 12.024 17.907 827 HD1 HIS 104 HD1 HIS 104 15.628 11.485 14.709 828 HD2 HIS 104 HD2 HIS 104 18.634 13.814 16.416 829 HE1 HIS 104 HE1 HIS 104 17.480 11.637 12.989 830 H HIS 105 H HIS 105 13.781 10.545 18.090 831 HA HIS 105 HA HIS 105 12.670 11.953 20.360 832 1HB HIS 105 2HB HIS 105 10.413 11.069 20.140 833 2HB HIS 105 1HB HIS 105 10.807 12.024 18.714 834 HD1 HIS 105 HD1 HIS 105 8.657 9.753 18.659 835 HD2 HIS 105 HD2 HIS 105 12.628 9.258 17.488 836 HE1 HIS 105 HE1 HIS 105 8.700 7.768 17.085 837 H HIS 106 H HIS 106 11.084 9.776 21.283 838 HA HIS 106 HA HIS 106 12.927 7.494 21.393 839 1HB HIS 106 2HB HIS 106 11.827 8.598 23.965 840 2HB HIS 106 1HB HIS 106 13.194 7.513 23.718 841 HD1 HIS 106 HD1 HIS 106 12.203 11.142 23.222 842 HD2 HIS 106 HD2 HIS 106 15.652 8.804 23.359 843 HE1 HIS 106 HE1 HIS 106 14.158 12.750 23.191 844 H HIS 107 H HIS 107 11.847 5.626 21.305 845 HA HIS 107 HA HIS 107 9.080 5.507 22.298 846 1HB HIS 107 2HB HIS 107 8.305 4.398 20.280 847 2HB HIS 107 1HB HIS 107 9.001 5.960 19.850 848 HD1 HIS 107 HD1 HIS 107 11.604 5.840 19.022 849 HD2 HIS 107 HD2 HIS 107 9.470 2.258 18.954 850 HE1 HIS 107 HE1 HIS 107 12.898 4.262 17.522 851 H HIS 108 H HIS 108 11.901 3.749 21.063 852 HA HIS 108 HA HIS 108 11.583 1.739 23.138 853 1HB HIS 108 2HB HIS 108 10.178 1.069 21.053 854 2HB HIS 108 1HB HIS 108 11.738 0.741 20.302 855 HD1 HIS 108 HD1 HIS 108 9.211 -0.925 22.178 856 HD2 HIS 108 HD2 HIS 108 13.378 -1.021 22.242 857 HE1 HIS 108 HE1 HIS 108 9.860 -3.076 23.346 Start of MODEL 5 1 HA MET 1 HA MET 1 24.378 2.429 8.149 2 1HB MET 1 2HB MET 1 22.369 0.322 8.972 3 2HB MET 1 1HB MET 1 24.125 0.177 8.907 4 1HG MET 1 2HG MET 1 24.161 2.071 10.661 5 2HG MET 1 1HG MET 1 22.447 1.722 10.884 6 1HE MET 1 1HE MET 1 22.178 -1.735 12.228 7 2HE MET 1 2HE MET 1 22.287 -1.530 10.481 8 3HE MET 1 3HE MET 1 21.442 -0.327 11.453 9 H ASP 2 H ASP 2 21.040 1.444 7.376 10 HA ASP 2 HA ASP 2 21.549 1.560 4.546 11 1HB ASP 2 2HB ASP 2 22.558 -0.648 5.223 12 2HB ASP 2 1HB ASP 2 20.953 -1.161 5.734 13 H GLY 3 H GLY 3 19.395 -0.186 6.812 14 1HA GLY 3 2HA GLY 3 17.156 1.469 6.469 15 2HA GLY 3 1HA GLY 3 17.048 0.169 5.287 16 H VAL 4 H VAL 4 17.543 0.754 8.760 17 HA VAL 4 HA VAL 4 16.484 -1.919 9.370 18 HB VAL 4 HB VAL 4 18.625 -0.841 10.419 19 1HG1 VAL 4 1HG1 VAL 4 18.307 0.568 12.298 20 2HG1 VAL 4 2HG1 VAL 4 16.573 0.258 12.346 21 3HG1 VAL 4 3HG1 VAL 4 17.256 1.249 11.057 22 1HG2 VAL 4 1HG2 VAL 4 17.565 -2.991 11.099 23 2HG2 VAL 4 2HG2 VAL 4 16.502 -2.098 12.187 24 3HG2 VAL 4 3HG2 VAL 4 18.242 -2.114 12.472 25 H MET 5 H MET 5 15.133 0.899 8.654 26 HA MET 5 HA MET 5 12.748 0.386 10.245 27 1HB MET 5 2HB MET 5 14.489 2.066 11.420 28 2HB MET 5 1HB MET 5 13.682 3.204 10.337 29 1HG MET 5 2HG MET 5 11.475 2.213 11.244 30 2HG MET 5 1HG MET 5 12.464 1.530 12.533 31 1HE MET 5 1HE MET 5 14.664 3.587 13.322 32 2HE MET 5 2HE MET 5 13.567 2.571 14.255 33 3HE MET 5 3HE MET 5 13.701 4.286 14.631 34 H SER 6 H SER 6 12.924 0.086 7.535 35 HA SER 6 HA SER 6 11.978 2.589 6.399 36 1HB SER 6 2HB SER 6 13.788 1.346 5.215 37 2HB SER 6 1HB SER 6 12.682 -0.008 5.001 38 HG SER 6 HG SER 6 12.040 1.029 3.293 39 H ALA 7 H ALA 7 10.462 1.686 4.397 40 HA ALA 7 HA ALA 7 8.542 -0.151 4.446 41 1HB ALA 7 1HB ALA 7 7.775 0.037 6.634 42 2HB ALA 7 2HB ALA 7 6.665 1.117 5.787 43 3HB ALA 7 3HB ALA 7 8.034 1.781 6.681 44 H VAL 8 H VAL 8 9.440 3.118 4.088 45 HA VAL 8 HA VAL 8 7.871 3.359 1.698 46 HB VAL 8 HB VAL 8 6.080 4.099 2.999 47 1HG1 VAL 8 1HG1 VAL 8 8.227 5.131 4.831 48 2HG1 VAL 8 2HG1 VAL 8 6.856 4.084 5.198 49 3HG1 VAL 8 3HG1 VAL 8 6.602 5.808 4.931 50 1HG2 VAL 8 1HG2 VAL 8 7.644 6.680 2.688 51 2HG2 VAL 8 2HG2 VAL 8 5.892 6.483 2.690 52 3HG2 VAL 8 3HG2 VAL 8 6.846 5.866 1.343 53 H THR 9 H THR 9 8.393 5.272 0.474 54 HA THR 9 HA THR 9 10.693 6.839 1.369 55 HB THR 9 HB THR 9 10.746 4.757 -0.766 56 HG1 THR 9 HG1 THR 9 12.021 5.359 1.456 57 1HG2 THR 9 1HG2 THR 9 12.046 7.478 -0.974 58 2HG2 THR 9 2HG2 THR 9 11.105 6.617 -2.194 59 3HG2 THR 9 3HG2 THR 9 12.725 6.062 -1.774 60 H VAL 10 H VAL 10 10.619 8.878 0.609 61 HA VAL 10 HA VAL 10 8.478 9.546 -1.284 62 HB VAL 10 HB VAL 10 8.647 11.832 -0.388 63 1HG1 VAL 10 1HG1 VAL 10 7.298 9.901 0.703 64 2HG1 VAL 10 2HG1 VAL 10 7.538 11.378 1.635 65 3HG1 VAL 10 3HG1 VAL 10 8.526 9.956 1.968 66 1HG2 VAL 10 1HG2 VAL 10 10.073 11.808 1.890 67 2HG2 VAL 10 2HG2 VAL 10 10.791 12.270 0.350 68 3HG2 VAL 10 3HG2 VAL 10 11.025 10.639 0.977 69 H ASN 11 H ASN 11 9.260 9.469 -3.264 70 HA ASN 11 HA ASN 11 11.945 10.406 -3.905 71 1HB ASN 11 2HB ASN 11 9.811 9.467 -5.831 72 2HB ASN 11 1HB ASN 11 11.554 9.511 -6.088 73 1HD2 ASN 11 1HD2 ASN 11 9.118 7.361 -5.488 74 2HD2 ASN 11 2HD2 ASN 11 9.986 6.172 -4.641 75 H ASP 12 H ASP 12 11.083 11.273 -6.595 76 HA ASP 12 HA ASP 12 10.116 13.979 -5.885 77 1HB ASP 12 2HB ASP 12 11.903 12.962 -8.099 78 2HB ASP 12 1HB ASP 12 11.112 14.534 -8.199 79 H ASP 13 H ASP 13 9.039 11.136 -6.916 80 HA ASP 13 HA ASP 13 7.194 12.223 -8.947 81 1HB ASP 13 2HB ASP 13 8.614 10.313 -9.627 82 2HB ASP 13 1HB ASP 13 7.932 9.357 -8.315 83 H GLY 14 H GLY 14 7.451 10.893 -5.767 84 1HA GLY 14 2HA GLY 14 5.063 11.672 -4.753 85 2HA GLY 14 1HA GLY 14 4.672 10.137 -5.520 86 H LEU 15 H LEU 15 4.664 8.504 -4.131 87 HA LEU 15 HA LEU 15 6.863 8.207 -2.224 88 1HB LEU 15 2HB LEU 15 5.078 7.598 -0.454 89 2HB LEU 15 1HB LEU 15 5.393 9.304 -0.763 90 HG LEU 15 HG LEU 15 3.392 8.336 -2.607 91 1HD1 LEU 15 1HD1 LEU 15 1.645 7.687 -1.093 92 2HD1 LEU 15 2HD1 LEU 15 2.644 8.052 0.312 93 3HD1 LEU 15 3HD1 LEU 15 3.042 6.679 -0.720 94 1HD2 LEU 15 1HD2 LEU 15 3.879 10.699 -1.798 95 2HD2 LEU 15 2HD2 LEU 15 3.093 10.256 -0.282 96 3HD2 LEU 15 3HD2 LEU 15 2.177 10.243 -1.789 97 H VAL 16 H VAL 16 7.243 6.112 -1.572 98 HA VAL 16 HA VAL 16 5.836 4.032 -3.120 99 HB VAL 16 HB VAL 16 8.581 4.102 -1.840 100 1HG1 VAL 16 1HG1 VAL 16 6.976 1.824 -2.998 101 2HG1 VAL 16 2HG1 VAL 16 7.916 1.865 -1.506 102 3HG1 VAL 16 3HG1 VAL 16 8.738 1.811 -3.065 103 1HG2 VAL 16 1HG2 VAL 16 9.415 4.131 -4.042 104 2HG2 VAL 16 2HG2 VAL 16 8.018 5.203 -4.141 105 3HG2 VAL 16 3HG2 VAL 16 7.899 3.543 -4.724 106 H LEU 17 H LEU 17 4.781 2.383 -2.080 107 HA LEU 17 HA LEU 17 4.756 2.508 0.873 108 1HB LEU 17 2HB LEU 17 2.636 2.444 -1.081 109 2HB LEU 17 1HB LEU 17 2.524 1.030 -0.034 110 HG LEU 17 HG LEU 17 1.272 2.955 0.895 111 1HD1 LEU 17 1HD1 LEU 17 2.836 1.230 2.255 112 2HD1 LEU 17 2HD1 LEU 17 1.884 2.482 3.054 113 3HD1 LEU 17 3HD1 LEU 17 3.600 2.745 2.738 114 1HD2 LEU 17 1HD2 LEU 17 3.690 4.451 1.664 115 2HD2 LEU 17 2HD2 LEU 17 2.147 5.045 1.053 116 3HD2 LEU 17 3HD2 LEU 17 3.373 4.466 -0.072 117 H ARG 18 H ARG 18 6.282 1.063 1.448 118 HA ARG 18 HA ARG 18 6.270 -1.620 0.242 119 1HB ARG 18 2HB ARG 18 8.238 0.061 1.692 120 2HB ARG 18 1HB ARG 18 8.319 -1.669 2.004 121 1HG ARG 18 2HG ARG 18 8.716 -2.175 -0.280 122 2HG ARG 18 1HG ARG 18 8.185 -0.578 -0.810 123 1HD ARG 18 2HD ARG 18 10.139 0.370 0.532 124 2HD ARG 18 1HD ARG 18 10.722 -1.286 0.679 125 HE ARG 18 HE ARG 18 10.270 -0.871 -2.030 126 1HH1 ARG 18 1HH1 ARG 18 12.970 -1.583 -0.992 127 2HH1 ARG 18 2HH1 ARG 18 13.914 -0.183 -1.382 128 1HH2 ARG 18 1HH2 ARG 18 11.159 1.860 -1.892 129 2HH2 ARG 18 2HH2 ARG 18 12.889 1.768 -1.891 130 H LEU 19 H LEU 19 4.978 -3.077 1.182 131 HA LEU 19 HA LEU 19 5.016 -3.284 4.100 132 1HB LEU 19 2HB LEU 19 2.604 -3.300 4.322 133 2HB LEU 19 1HB LEU 19 3.106 -1.791 3.571 134 HG LEU 19 HG LEU 19 2.682 -3.108 1.322 135 1HD1 LEU 19 1HD1 LEU 19 1.469 -4.827 3.424 136 2HD1 LEU 19 2HD1 LEU 19 2.048 -5.256 1.813 137 3HD1 LEU 19 3HD1 LEU 19 0.463 -4.514 2.012 138 1HD2 LEU 19 1HD2 LEU 19 1.305 -1.268 1.563 139 2HD2 LEU 19 2HD2 LEU 19 0.783 -1.740 3.180 140 3HD2 LEU 19 3HD2 LEU 19 0.097 -2.539 1.766 141 H TYR 20 H TYR 20 3.431 -5.170 4.705 142 HA TYR 20 HA TYR 20 4.068 -7.445 2.942 143 1HB TYR 20 2HB TYR 20 4.911 -7.091 5.518 144 2HB TYR 20 1HB TYR 20 3.415 -7.986 5.775 145 HD1 TYR 20 HD1 TYR 20 3.616 -10.303 5.841 146 HD2 TYR 20 HD2 TYR 20 6.308 -8.045 3.372 147 HE1 TYR 20 HE1 TYR 20 4.757 -12.397 5.168 148 HE2 TYR 20 HE2 TYR 20 7.447 -10.141 2.699 149 HH TYR 20 HH TYR 20 7.051 -12.493 2.592 150 H ILE 21 H ILE 21 2.198 -7.488 1.749 151 HA ILE 21 HA ILE 21 -0.389 -7.181 2.955 152 HB ILE 21 HB ILE 21 0.508 -6.816 0.448 153 1HG1 ILE 21 2HG1 ILE 21 -2.048 -7.158 -0.181 154 2HG1 ILE 21 1HG1 ILE 21 -2.218 -7.402 1.561 155 1HG2 ILE 21 1HG2 ILE 21 0.835 -9.263 0.103 156 2HG2 ILE 21 2HG2 ILE 21 -0.276 -8.530 -1.050 157 3HG2 ILE 21 3HG2 ILE 21 -0.905 -9.484 0.296 158 1HD1 ILE 21 1HD1 ILE 21 -1.319 -5.228 2.031 159 2HD1 ILE 21 2HD1 ILE 21 -2.531 -5.011 0.772 160 3HD1 ILE 21 3HD1 ILE 21 -0.819 -5.003 0.355 161 H GLN 22 H GLN 22 -1.682 -8.660 3.783 162 HA GLN 22 HA GLN 22 -0.952 -11.514 3.504 163 1HB GLN 22 2HB GLN 22 -1.055 -9.929 5.840 164 2HB GLN 22 1HB GLN 22 -2.492 -10.947 5.888 165 1HG GLN 22 2HG GLN 22 -0.489 -12.005 6.956 166 2HG GLN 22 1HG GLN 22 -1.152 -12.951 5.624 167 1HE2 GLN 22 1HE2 GLN 22 0.748 -13.942 4.814 168 2HE2 GLN 22 2HE2 GLN 22 2.098 -13.075 4.263 169 HA PRO 23 HA PRO 23 -5.144 -11.042 1.777 170 1HB PRO 23 2HB PRO 23 -4.617 -13.354 0.146 171 2HB PRO 23 1HB PRO 23 -4.774 -11.667 -0.360 172 1HG PRO 23 2HG PRO 23 -2.442 -13.174 -0.382 173 2HG PRO 23 1HG PRO 23 -2.555 -11.415 -0.525 174 1HD PRO 23 2HD PRO 23 -1.735 -13.055 1.802 175 2HD PRO 23 1HD PRO 23 -1.333 -11.373 1.405 176 H LYS 24 H LYS 24 -6.973 -12.532 1.650 177 HA LYS 24 HA LYS 24 -8.314 -14.247 2.365 178 1HB LYS 24 2HB LYS 24 -5.796 -15.515 3.475 179 2HB LYS 24 1HB LYS 24 -7.367 -16.289 3.304 180 1HG LYS 24 2HG LYS 24 -7.271 -16.193 0.920 181 2HG LYS 24 1HG LYS 24 -5.895 -15.091 0.949 182 1HD LYS 24 2HD LYS 24 -5.525 -17.685 2.354 183 2HD LYS 24 1HD LYS 24 -5.628 -17.760 0.595 184 1HE LYS 24 2HE LYS 24 -3.774 -15.892 2.100 185 2HE LYS 24 1HE LYS 24 -3.282 -17.456 1.453 186 1HZ LYS 24 1HZ LYS 24 -3.042 -15.246 0.068 187 2HZ LYS 24 2HZ LYS 24 -4.647 -15.608 -0.353 188 3HZ LYS 24 3HZ LYS 24 -3.410 -16.725 -0.675 189 H ALA 25 H ALA 25 -7.908 -11.849 3.887 190 HA ALA 25 HA ALA 25 -8.078 -12.811 6.650 191 1HB ALA 25 1HB ALA 25 -7.236 -10.797 7.277 192 2HB ALA 25 2HB ALA 25 -8.203 -9.917 6.092 193 3HB ALA 25 3HB ALA 25 -6.698 -10.693 5.599 194 H SER 26 H SER 26 -9.818 -11.651 7.924 195 HA SER 26 HA SER 26 -12.324 -12.025 6.545 196 1HB SER 26 2HB SER 26 -11.956 -12.561 8.977 197 2HB SER 26 1HB SER 26 -11.875 -10.830 9.291 198 HG SER 26 HG SER 26 -13.988 -11.594 9.580 199 H ARG 27 H ARG 27 -10.112 -9.508 6.776 200 HA ARG 27 HA ARG 27 -11.710 -7.677 5.319 201 1HB ARG 27 2HB ARG 27 -12.913 -7.451 7.473 202 2HB ARG 27 1HB ARG 27 -11.404 -6.987 8.255 203 1HG ARG 27 2HG ARG 27 -11.315 -4.928 7.161 204 2HG ARG 27 1HG ARG 27 -12.329 -5.479 5.827 205 1HD ARG 27 2HD ARG 27 -13.445 -3.882 7.463 206 2HD ARG 27 1HD ARG 27 -14.305 -5.388 7.164 207 HE ARG 27 HE ARG 27 -12.714 -5.887 9.369 208 1HH1 ARG 27 1HH1 ARG 27 -14.512 -3.052 8.756 209 2HH1 ARG 27 2HH1 ARG 27 -15.395 -3.097 10.245 210 1HH2 ARG 27 1HH2 ARG 27 -14.154 -6.186 11.202 211 2HH2 ARG 27 2HH2 ARG 27 -15.191 -4.865 11.627 212 H ASP 28 H ASP 28 -10.602 -5.544 5.056 213 HA ASP 28 HA ASP 28 -7.720 -5.888 5.102 214 1HB ASP 28 2HB ASP 28 -8.547 -3.272 4.247 215 2HB ASP 28 1HB ASP 28 -7.713 -4.524 3.340 216 H SER 29 H SER 29 -7.125 -5.745 7.179 217 HA SER 29 HA SER 29 -7.594 -3.164 8.552 218 1HB SER 29 2HB SER 29 -7.808 -5.967 9.562 219 2HB SER 29 1HB SER 29 -7.238 -4.717 10.664 220 HG SER 29 HG SER 29 -9.264 -4.222 10.858 221 H ILE 30 H ILE 30 -5.877 -2.141 9.367 222 HA ILE 30 HA ILE 30 -3.221 -3.300 8.919 223 HB ILE 30 HB ILE 30 -2.828 -0.763 9.967 224 1HG1 ILE 30 2HG1 ILE 30 -5.341 -0.771 8.255 225 2HG1 ILE 30 1HG1 ILE 30 -5.234 -0.276 9.944 226 1HG2 ILE 30 1HG2 ILE 30 -3.288 -1.402 7.040 227 2HG2 ILE 30 2HG2 ILE 30 -1.837 -1.880 7.920 228 3HG2 ILE 30 3HG2 ILE 30 -2.219 -0.171 7.712 229 1HD1 ILE 30 1HD1 ILE 30 -5.091 1.789 8.900 230 2HD1 ILE 30 2HD1 ILE 30 -4.266 1.134 7.484 231 3HD1 ILE 30 3HD1 ILE 30 -3.379 1.373 8.991 232 H VAL 31 H VAL 31 -3.610 -4.879 10.608 233 HA VAL 31 HA VAL 31 -3.426 -3.843 13.362 234 HB VAL 31 HB VAL 31 -3.859 -6.452 13.717 235 1HG1 VAL 31 1HG1 VAL 31 -5.961 -4.378 13.020 236 2HG1 VAL 31 2HG1 VAL 31 -5.241 -4.628 14.610 237 3HG1 VAL 31 3HG1 VAL 31 -6.271 -5.872 13.903 238 1HG2 VAL 31 1HG2 VAL 31 -3.864 -6.823 11.223 239 2HG2 VAL 31 2HG2 VAL 31 -5.318 -5.829 11.136 240 3HG2 VAL 31 3HG2 VAL 31 -5.342 -7.349 12.028 241 H GLY 32 H GLY 32 -1.221 -4.344 11.254 242 1HA GLY 32 2HA GLY 32 0.600 -5.702 13.122 243 2HA GLY 32 1HA GLY 32 0.502 -6.283 11.463 244 H LEU 33 H LEU 33 0.021 -2.939 12.030 245 HA LEU 33 HA LEU 33 2.082 -2.088 10.328 246 1HB LEU 33 2HB LEU 33 0.544 -0.690 12.523 247 2HB LEU 33 1HB LEU 33 1.696 0.150 11.479 248 HG LEU 33 HG LEU 33 -0.847 -1.275 10.667 249 1HD1 LEU 33 1HD1 LEU 33 0.173 1.570 10.516 250 2HD1 LEU 33 2HD1 LEU 33 -1.264 0.976 11.350 251 3HD1 LEU 33 3HD1 LEU 33 -1.219 1.013 9.587 252 1HD2 LEU 33 1HD2 LEU 33 0.564 -1.928 8.925 253 2HD2 LEU 33 2HD2 LEU 33 1.581 -0.494 9.078 254 3HD2 LEU 33 3HD2 LEU 33 -0.010 -0.370 8.326 255 H HIS 34 H HIS 34 4.145 -2.621 10.686 256 HA HIS 34 HA HIS 34 5.168 -2.621 13.419 257 1HB HIS 34 2HB HIS 34 5.585 -4.554 11.932 258 2HB HIS 34 1HB HIS 34 6.507 -3.512 10.861 259 HD1 HIS 34 HD1 HIS 34 8.949 -3.282 11.402 260 HD2 HIS 34 HD2 HIS 34 6.759 -4.623 14.683 261 HE1 HIS 34 HE1 HIS 34 10.629 -3.789 13.226 262 H GLY 35 H GLY 35 7.197 -1.604 13.962 263 1HA GLY 35 2HA GLY 35 7.307 1.121 13.169 264 2HA GLY 35 1HA GLY 35 8.496 0.288 14.167 265 H ASP 36 H ASP 36 8.945 -1.763 12.102 266 HA ASP 36 HA ASP 36 10.617 -0.168 10.256 267 1HB ASP 36 2HB ASP 36 11.069 -3.060 10.988 268 2HB ASP 36 1HB ASP 36 12.187 -1.950 10.209 269 H GLU 37 H GLU 37 7.902 -2.167 10.459 270 HA GLU 37 HA GLU 37 7.944 -2.547 7.540 271 1HB GLU 37 2HB GLU 37 6.900 -4.775 9.254 272 2HB GLU 37 1HB GLU 37 7.509 -4.829 7.600 273 1HG GLU 37 2HG GLU 37 9.799 -4.279 8.528 274 2HG GLU 37 1HG GLU 37 9.128 -4.501 10.139 275 H VAL 38 H VAL 38 5.644 -3.669 7.023 276 HA VAL 38 HA VAL 38 3.523 -2.408 8.613 277 HB VAL 38 HB VAL 38 4.038 -1.913 5.678 278 1HG1 VAL 38 1HG1 VAL 38 1.820 -1.771 5.304 279 2HG1 VAL 38 2HG1 VAL 38 1.676 -0.585 6.599 280 3HG1 VAL 38 3HG1 VAL 38 1.509 -2.303 6.958 281 1HG2 VAL 38 1HG2 VAL 38 3.726 0.468 6.437 282 2HG2 VAL 38 2HG2 VAL 38 5.127 -0.330 7.151 283 3HG2 VAL 38 3HG2 VAL 38 3.652 -0.127 8.095 284 H LYS 39 H LYS 39 2.248 -4.100 9.119 285 HA LYS 39 HA LYS 39 1.825 -6.162 7.043 286 1HB LYS 39 2HB LYS 39 2.136 -6.281 9.987 287 2HB LYS 39 1HB LYS 39 0.940 -7.370 9.276 288 1HG LYS 39 2HG LYS 39 3.456 -7.247 7.775 289 2HG LYS 39 1HG LYS 39 3.651 -7.845 9.414 290 1HD LYS 39 2HD LYS 39 1.721 -8.933 7.347 291 2HD LYS 39 1HD LYS 39 3.203 -9.713 7.889 292 1HE LYS 39 2HE LYS 39 0.576 -9.471 9.272 293 2HE LYS 39 1HE LYS 39 1.736 -10.798 9.286 294 1HZ LYS 39 1HZ LYS 39 1.763 -9.815 11.421 295 2HZ LYS 39 2HZ LYS 39 1.894 -8.245 10.787 296 3HZ LYS 39 3HZ LYS 39 3.196 -9.331 10.654 297 H VAL 40 H VAL 40 -0.144 -6.507 6.288 298 HA VAL 40 HA VAL 40 -2.476 -5.551 7.773 299 HB VAL 40 HB VAL 40 -1.689 -3.654 6.325 300 1HG1 VAL 40 1HG1 VAL 40 -0.954 -5.358 4.481 301 2HG1 VAL 40 2HG1 VAL 40 -1.638 -3.810 3.989 302 3HG1 VAL 40 3HG1 VAL 40 -2.638 -5.260 3.965 303 1HG2 VAL 40 1HG2 VAL 40 -3.975 -3.539 6.857 304 2HG2 VAL 40 2HG2 VAL 40 -4.361 -4.991 5.937 305 3HG2 VAL 40 3HG2 VAL 40 -3.992 -3.488 5.094 306 H ALA 41 H ALA 41 -3.996 -7.066 7.699 307 HA ALA 41 HA ALA 41 -3.793 -9.189 5.714 308 1HB ALA 41 1HB ALA 41 -6.021 -9.027 7.715 309 2HB ALA 41 2HB ALA 41 -4.398 -9.441 8.268 310 3HB ALA 41 3HB ALA 41 -5.204 -10.448 7.063 311 H ILE 42 H ILE 42 -4.873 -9.088 3.845 312 HA ILE 42 HA ILE 42 -7.161 -7.220 3.666 313 HB ILE 42 HB ILE 42 -5.182 -6.744 2.188 314 1HG1 ILE 42 2HG1 ILE 42 -7.617 -7.630 0.609 315 2HG1 ILE 42 1HG1 ILE 42 -7.597 -6.180 1.612 316 1HG2 ILE 42 1HG2 ILE 42 -5.991 -9.344 0.841 317 2HG2 ILE 42 2HG2 ILE 42 -4.546 -9.136 1.831 318 3HG2 ILE 42 3HG2 ILE 42 -4.714 -8.245 0.319 319 1HD1 ILE 42 1HD1 ILE 42 -6.573 -6.526 -1.053 320 2HD1 ILE 42 2HD1 ILE 42 -5.245 -6.102 0.026 321 3HD1 ILE 42 3HD1 ILE 42 -6.656 -5.052 -0.088 322 H THR 43 H THR 43 -9.047 -7.898 2.661 323 HA THR 43 HA THR 43 -9.512 -10.776 2.834 324 HB THR 43 HB THR 43 -11.099 -9.324 3.958 325 HG1 THR 43 HG1 THR 43 -11.734 -11.238 2.553 326 1HG2 THR 43 1HG2 THR 43 -11.023 -7.898 1.356 327 2HG2 THR 43 2HG2 THR 43 -11.256 -7.264 2.985 328 3HG2 THR 43 3HG2 THR 43 -12.604 -8.011 2.130 329 H ALA 44 H ALA 44 -7.886 -9.952 0.673 330 HA ALA 44 HA ALA 44 -9.648 -10.288 -1.667 331 1HB ALA 44 1HB ALA 44 -6.767 -9.738 -2.066 332 2HB ALA 44 2HB ALA 44 -7.698 -8.446 -1.311 333 3HB ALA 44 3HB ALA 44 -8.170 -9.066 -2.892 334 HA PRO 45 HA PRO 45 -8.459 -14.518 -2.036 335 1HB PRO 45 2HB PRO 45 -8.490 -14.438 -4.912 336 2HB PRO 45 1HB PRO 45 -9.704 -15.114 -3.818 337 1HG PRO 45 2HG PRO 45 -9.810 -12.703 -5.335 338 2HG PRO 45 1HG PRO 45 -11.058 -13.419 -4.317 339 1HD PRO 45 2HD PRO 45 -9.564 -11.062 -3.785 340 2HD PRO 45 1HD PRO 45 -10.692 -11.886 -2.693 341 HA PRO 46 HA PRO 46 -4.179 -14.739 -3.091 342 1HB PRO 46 2HB PRO 46 -4.276 -17.383 -4.238 343 2HB PRO 46 1HB PRO 46 -3.808 -16.914 -2.597 344 1HG PRO 46 2HG PRO 46 -6.070 -18.341 -3.263 345 2HG PRO 46 1HG PRO 46 -5.825 -17.453 -1.751 346 1HD PRO 46 2HD PRO 46 -7.423 -16.679 -4.154 347 2HD PRO 46 1HD PRO 46 -7.704 -16.308 -2.437 348 H VAL 47 H VAL 47 -6.036 -13.844 -5.379 349 HA VAL 47 HA VAL 47 -4.176 -14.476 -7.602 350 HB VAL 47 HB VAL 47 -6.425 -15.454 -7.946 351 1HG1 VAL 47 1HG1 VAL 47 -7.535 -13.552 -6.597 352 2HG1 VAL 47 2HG1 VAL 47 -8.386 -14.130 -8.029 353 3HG1 VAL 47 3HG1 VAL 47 -7.468 -12.626 -8.096 354 1HG2 VAL 47 1HG2 VAL 47 -5.025 -14.572 -9.856 355 2HG2 VAL 47 2HG2 VAL 47 -5.951 -13.073 -9.769 356 3HG2 VAL 47 3HG2 VAL 47 -6.757 -14.586 -10.185 357 H ASP 48 H ASP 48 -3.336 -12.769 -8.741 358 HA ASP 48 HA ASP 48 -3.160 -10.247 -7.586 359 1HB ASP 48 2HB ASP 48 -2.976 -10.507 -10.565 360 2HB ASP 48 1HB ASP 48 -2.000 -9.538 -9.468 361 H GLY 49 H GLY 49 -5.060 -11.070 -10.503 362 1HA GLY 49 2HA GLY 49 -6.318 -8.793 -11.120 363 2HA GLY 49 1HA GLY 49 -7.196 -10.317 -11.083 364 H GLN 50 H GLN 50 -7.491 -10.914 -8.501 365 HA GLN 50 HA GLN 50 -9.428 -8.978 -7.606 366 1HB GLN 50 2HB GLN 50 -8.458 -11.521 -6.284 367 2HB GLN 50 1HB GLN 50 -9.892 -10.597 -5.834 368 1HG GLN 50 2HG GLN 50 -9.584 -11.521 -8.675 369 2HG GLN 50 1HG GLN 50 -10.118 -12.670 -7.451 370 1HE2 GLN 50 1HE2 GLN 50 -11.343 -10.578 -9.711 371 2HE2 GLN 50 2HE2 GLN 50 -12.823 -10.199 -8.971 372 H ALA 51 H ALA 51 -6.239 -10.073 -6.488 373 HA ALA 51 HA ALA 51 -6.253 -8.603 -4.048 374 1HB ALA 51 1HB ALA 51 -3.769 -9.334 -5.593 375 2HB ALA 51 2HB ALA 51 -4.712 -10.546 -4.727 376 3HB ALA 51 3HB ALA 51 -3.978 -9.205 -3.847 377 H ASN 52 H ASN 52 -4.384 -8.024 -7.012 378 HA ASN 52 HA ASN 52 -3.345 -5.553 -6.557 379 1HB ASN 52 2HB ASN 52 -3.017 -6.980 -8.594 380 2HB ASN 52 1HB ASN 52 -4.582 -6.432 -9.177 381 1HD2 ASN 52 1HD2 ASN 52 -1.782 -5.929 -10.270 382 2HD2 ASN 52 2HD2 ASN 52 -1.666 -4.240 -10.386 383 H SER 53 H SER 53 -6.613 -6.227 -7.842 384 HA SER 53 HA SER 53 -7.473 -3.623 -8.273 385 1HB SER 53 2HB SER 53 -8.947 -6.114 -7.450 386 2HB SER 53 1HB SER 53 -9.790 -4.588 -7.698 387 HG SER 53 HG SER 53 -9.786 -5.524 -9.666 388 H HIS 54 H HIS 54 -8.047 -5.548 -5.302 389 HA HIS 54 HA HIS 54 -9.246 -3.580 -3.752 390 1HB HIS 54 2HB HIS 54 -7.779 -6.077 -3.231 391 2HB HIS 54 1HB HIS 54 -7.684 -4.902 -1.920 392 HD1 HIS 54 HD1 HIS 54 -10.754 -4.960 -4.056 393 HD2 HIS 54 HD2 HIS 54 -9.518 -6.444 -0.358 394 HE1 HIS 54 HE1 HIS 54 -12.846 -5.746 -2.862 395 H LEU 55 H LEU 55 -5.765 -4.345 -3.968 396 HA LEU 55 HA LEU 55 -4.782 -2.456 -2.201 397 1HB LEU 55 2HB LEU 55 -3.722 -3.880 -4.574 398 2HB LEU 55 1HB LEU 55 -2.867 -2.407 -4.129 399 HG LEU 55 HG LEU 55 -1.871 -4.324 -2.991 400 1HD1 LEU 55 1HD1 LEU 55 -1.566 -3.177 -1.059 401 2HD1 LEU 55 2HD1 LEU 55 -3.289 -3.173 -0.681 402 3HD1 LEU 55 3HD1 LEU 55 -2.626 -1.973 -1.792 403 1HD2 LEU 55 1HD2 LEU 55 -3.947 -5.729 -3.017 404 2HD2 LEU 55 2HD2 LEU 55 -4.586 -4.736 -1.707 405 3HD2 LEU 55 3HD2 LEU 55 -3.138 -5.710 -1.451 406 H VAL 56 H VAL 56 -5.611 -2.051 -5.631 407 HA VAL 56 HA VAL 56 -4.833 0.692 -5.771 408 HB VAL 56 HB VAL 56 -5.643 -1.263 -7.600 409 1HG1 VAL 56 1HG1 VAL 56 -8.015 -0.494 -7.127 410 2HG1 VAL 56 2HG1 VAL 56 -7.512 -0.343 -8.809 411 3HG1 VAL 56 3HG1 VAL 56 -7.556 1.083 -7.772 412 1HG2 VAL 56 1HG2 VAL 56 -3.952 0.513 -7.931 413 2HG2 VAL 56 2HG2 VAL 56 -5.239 1.715 -8.021 414 3HG2 VAL 56 3HG2 VAL 56 -5.105 0.471 -9.265 415 H LYS 57 H LYS 57 -7.669 -1.004 -4.720 416 HA LYS 57 HA LYS 57 -9.426 1.289 -4.791 417 1HB LYS 57 2HB LYS 57 -10.283 -1.025 -5.023 418 2HB LYS 57 1HB LYS 57 -9.760 -1.369 -3.373 419 1HG LYS 57 2HG LYS 57 -11.268 0.305 -2.479 420 2HG LYS 57 1HG LYS 57 -11.682 0.852 -4.100 421 1HD LYS 57 2HD LYS 57 -13.489 -0.542 -3.551 422 2HD LYS 57 1HD LYS 57 -12.446 -1.606 -4.495 423 1HE LYS 57 2HE LYS 57 -13.164 -2.787 -2.493 424 2HE LYS 57 1HE LYS 57 -11.441 -2.438 -2.357 425 1HZ LYS 57 1HZ LYS 57 -12.722 -0.238 -1.320 426 2HZ LYS 57 2HZ LYS 57 -11.915 -1.451 -0.445 427 3HZ LYS 57 3HZ LYS 57 -13.590 -1.561 -0.715 428 H PHE 58 H PHE 58 -8.153 -0.701 -2.099 429 HA PHE 58 HA PHE 58 -8.935 0.836 0.033 430 1HB PHE 58 2HB PHE 58 -7.513 -1.387 -0.122 431 2HB PHE 58 1HB PHE 58 -6.156 -0.277 0.059 432 HD1 PHE 58 HD1 PHE 58 -9.467 -1.141 1.573 433 HD2 PHE 58 HD2 PHE 58 -5.544 0.495 2.208 434 HE1 PHE 58 HE1 PHE 58 -9.913 -1.016 4.010 435 HE2 PHE 58 HE2 PHE 58 -5.990 0.616 4.643 436 HZ PHE 58 HZ PHE 58 -8.175 -0.139 5.545 437 H LEU 59 H LEU 59 -5.749 1.127 -1.560 438 HA LEU 59 HA LEU 59 -5.090 3.532 -0.174 439 1HB LEU 59 2HB LEU 59 -3.845 1.796 -2.192 440 2HB LEU 59 1HB LEU 59 -3.422 3.501 -2.347 441 HG LEU 59 HG LEU 59 -2.660 3.594 -0.055 442 1HD1 LEU 59 1HD1 LEU 59 -4.027 2.291 1.278 443 2HD1 LEU 59 2HD1 LEU 59 -2.656 1.193 1.124 444 3HD1 LEU 59 3HD1 LEU 59 -4.083 0.967 0.113 445 1HD2 LEU 59 1HD2 LEU 59 -1.301 2.347 -1.965 446 2HD2 LEU 59 2HD2 LEU 59 -1.557 0.945 -0.926 447 3HD2 LEU 59 3HD2 LEU 59 -0.707 2.360 -0.304 448 H GLY 60 H GLY 60 -6.333 2.847 -3.435 449 1HA GLY 60 2HA GLY 60 -6.152 5.368 -4.573 450 2HA GLY 60 1HA GLY 60 -7.448 4.227 -4.917 451 H LYS 61 H LYS 61 -8.471 4.143 -2.225 452 HA LYS 61 HA LYS 61 -10.122 6.518 -2.315 453 1HB LYS 61 2HB LYS 61 -10.339 3.861 -1.270 454 2HB LYS 61 1HB LYS 61 -10.620 5.005 0.044 455 1HG LYS 61 2HG LYS 61 -12.372 6.099 -1.149 456 2HG LYS 61 1HG LYS 61 -11.947 5.287 -2.658 457 1HD LYS 61 2HD LYS 61 -12.756 3.188 -1.883 458 2HD LYS 61 1HD LYS 61 -12.821 3.743 -0.209 459 1HE LYS 61 2HE LYS 61 -15.078 3.675 -1.227 460 2HE LYS 61 1HE LYS 61 -14.621 5.320 -0.788 461 1HZ LYS 61 1HZ LYS 61 -14.541 5.957 -2.920 462 2HZ LYS 61 2HZ LYS 61 -15.528 4.601 -3.198 463 3HZ LYS 61 3HZ LYS 61 -13.850 4.504 -3.453 464 H GLN 62 H GLN 62 -8.116 5.007 0.230 465 HA GLN 62 HA GLN 62 -8.239 7.098 2.066 466 1HB GLN 62 2HB GLN 62 -7.375 4.996 2.787 467 2HB GLN 62 1HB GLN 62 -6.112 5.013 1.558 468 1HG GLN 62 2HG GLN 62 -5.230 5.598 3.799 469 2HG GLN 62 1HG GLN 62 -5.035 6.921 2.652 470 1HE2 GLN 62 1HE2 GLN 62 -7.446 5.766 5.087 471 2HE2 GLN 62 2HE2 GLN 62 -7.864 7.325 5.618 472 H PHE 63 H PHE 63 -5.892 6.557 -0.560 473 HA PHE 63 HA PHE 63 -4.471 9.007 0.074 474 1HB PHE 63 2HB PHE 63 -4.051 6.700 -1.684 475 2HB PHE 63 1HB PHE 63 -3.603 8.231 -2.427 476 HD1 PHE 63 HD1 PHE 63 -1.748 9.533 -1.616 477 HD2 PHE 63 HD2 PHE 63 -3.016 5.993 0.463 478 HE1 PHE 63 HE1 PHE 63 0.318 9.596 -0.238 479 HE2 PHE 63 HE2 PHE 63 -0.953 6.056 1.837 480 HZ PHE 63 HZ PHE 63 0.714 7.858 1.487 481 H ARG 64 H ARG 64 -7.155 8.053 -1.794 482 HA ARG 64 HA ARG 64 -8.576 9.178 -3.177 483 1HB ARG 64 2HB ARG 64 -7.355 11.212 -1.466 484 2HB ARG 64 1HB ARG 64 -7.937 11.845 -3.000 485 1HG ARG 64 2HG ARG 64 -10.147 10.870 -2.607 486 2HG ARG 64 1HG ARG 64 -9.573 10.125 -1.115 487 1HD ARG 64 2HD ARG 64 -8.916 12.602 -0.486 488 2HD ARG 64 1HD ARG 64 -10.126 13.015 -1.696 489 HE ARG 64 HE ARG 64 -10.611 11.790 0.899 490 1HH1 ARG 64 1HH2 ARG 64 -11.782 12.247 -2.329 491 2HH1 ARG 64 2HH2 ARG 64 -13.453 12.207 -1.875 492 1HH2 ARG 64 1HH1 ARG 64 -12.799 11.843 1.513 493 2HH2 ARG 64 2HH1 ARG 64 -14.028 11.982 0.301 494 H VAL 65 H VAL 65 -5.472 8.735 -3.861 495 HA VAL 65 HA VAL 65 -5.195 10.562 -6.110 496 HB VAL 65 HB VAL 65 -3.079 9.428 -6.545 497 1HG1 VAL 65 1HG1 VAL 65 -3.577 9.985 -3.612 498 2HG1 VAL 65 2HG1 VAL 65 -3.012 11.129 -4.829 499 3HG1 VAL 65 3HG1 VAL 65 -1.976 9.791 -4.327 500 1HG2 VAL 65 1HG2 VAL 65 -3.518 7.135 -6.140 501 2HG2 VAL 65 2HG2 VAL 65 -4.126 7.449 -4.515 502 3HG2 VAL 65 3HG2 VAL 65 -2.401 7.599 -4.857 503 H ALA 66 H ALA 66 -4.785 9.701 -8.304 504 HA ALA 66 HA ALA 66 -6.963 8.122 -9.184 505 1HB ALA 66 1HB ALA 66 -5.221 9.857 -10.372 506 2HB ALA 66 2HB ALA 66 -6.323 8.796 -11.250 507 3HB ALA 66 3HB ALA 66 -4.647 8.310 -10.995 508 H LYS 67 H LYS 67 -6.889 6.070 -10.302 509 HA LYS 67 HA LYS 67 -5.353 4.103 -8.891 510 1HB LYS 67 2HB LYS 67 -6.360 2.527 -10.608 511 2HB LYS 67 1HB LYS 67 -7.523 3.431 -9.640 512 1HG LYS 67 2HG LYS 67 -8.074 4.870 -11.414 513 2HG LYS 67 1HG LYS 67 -6.586 4.516 -12.291 514 1HD LYS 67 2HD LYS 67 -7.353 2.364 -12.946 515 2HD LYS 67 1HD LYS 67 -8.670 2.389 -11.773 516 1HE LYS 67 2HE LYS 67 -9.755 4.220 -13.010 517 2HE LYS 67 1HE LYS 67 -8.430 4.229 -14.173 518 1HZ LYS 67 1HZ LYS 67 -10.128 2.937 -15.124 519 2HZ LYS 67 2HZ LYS 67 -10.408 2.081 -13.683 520 3HZ LYS 67 3HZ LYS 67 -8.979 1.823 -14.565 521 H SER 68 H SER 68 -5.052 5.863 -11.850 522 HA SER 68 HA SER 68 -3.062 4.225 -13.095 523 1HB SER 68 2HB SER 68 -4.454 6.732 -13.620 524 2HB SER 68 1HB SER 68 -2.749 6.822 -14.058 525 HG SER 68 HG SER 68 -4.499 4.711 -14.801 526 H GLN 69 H GLN 69 -3.065 6.295 -10.436 527 HA GLN 69 HA GLN 69 -0.204 6.943 -10.667 528 1HB GLN 69 2HB GLN 69 -2.343 7.923 -8.761 529 2HB GLN 69 1HB GLN 69 -0.648 8.406 -8.695 530 1HG GLN 69 2HG GLN 69 -0.760 9.414 -10.868 531 2HG GLN 69 1HG GLN 69 -2.349 8.720 -11.178 532 1HE2 GLN 69 1HE2 GLN 69 -2.715 11.209 -11.569 533 2HE2 GLN 69 2HE2 GLN 69 -3.218 12.106 -10.219 534 H VAL 70 H VAL 70 -2.216 4.598 -9.395 535 HA VAL 70 HA VAL 70 -0.409 3.965 -7.152 536 HB VAL 70 HB VAL 70 -3.119 2.770 -7.799 537 1HG1 VAL 70 1HG1 VAL 70 -1.510 1.403 -6.422 538 2HG1 VAL 70 2HG1 VAL 70 -2.988 1.839 -5.567 539 3HG1 VAL 70 3HG1 VAL 70 -1.493 2.714 -5.241 540 1HG2 VAL 70 1HG2 VAL 70 -2.572 4.687 -5.543 541 2HG2 VAL 70 2HG2 VAL 70 -4.108 4.288 -6.313 542 3HG2 VAL 70 3HG2 VAL 70 -2.941 5.308 -7.151 543 H VAL 71 H VAL 71 1.288 2.933 -8.159 544 HA VAL 71 HA VAL 71 0.610 0.568 -9.810 545 HB VAL 71 HB VAL 71 3.252 2.018 -9.882 546 1HG1 VAL 71 1HG1 VAL 71 3.425 0.928 -12.063 547 2HG1 VAL 71 2HG1 VAL 71 1.794 0.280 -11.897 548 3HG1 VAL 71 3HG1 VAL 71 3.078 -0.284 -10.829 549 1HG2 VAL 71 1HG2 VAL 71 1.618 3.704 -10.452 550 2HG2 VAL 71 2HG2 VAL 71 0.721 2.570 -11.462 551 3HG2 VAL 71 3HG2 VAL 71 2.320 3.123 -11.961 552 H ILE 72 H ILE 72 1.053 -1.342 -8.974 553 HA ILE 72 HA ILE 72 2.694 -1.626 -6.577 554 HB ILE 72 HB ILE 72 1.352 -3.770 -8.256 555 1HG1 ILE 72 2HG1 ILE 72 0.282 -2.417 -5.760 556 2HG1 ILE 72 1HG1 ILE 72 -0.206 -1.957 -7.390 557 1HG2 ILE 72 1HG2 ILE 72 1.489 -5.072 -6.165 558 2HG2 ILE 72 2HG2 ILE 72 2.286 -3.718 -5.367 559 3HG2 ILE 72 3HG2 ILE 72 3.093 -4.562 -6.688 560 1HD1 ILE 72 1HD1 ILE 72 -0.704 -4.516 -7.680 561 2HD1 ILE 72 2HD1 ILE 72 -1.859 -3.504 -6.812 562 3HD1 ILE 72 3HD1 ILE 72 -0.732 -4.523 -5.916 563 H GLU 73 H GLU 73 4.717 -0.956 -7.479 564 HA GLU 73 HA GLU 73 5.940 -2.077 -9.745 565 1HB GLU 73 2HB GLU 73 6.753 -0.436 -7.447 566 2HB GLU 73 1HB GLU 73 8.049 -1.452 -8.082 567 1HG GLU 73 2HG GLU 73 6.299 0.256 -9.863 568 2HG GLU 73 1HG GLU 73 7.790 0.861 -9.150 569 H LYS 74 H LYS 74 5.009 -3.641 -6.991 570 HA LYS 74 HA LYS 74 5.946 -6.135 -7.571 571 1HB LYS 74 2HB LYS 74 8.113 -4.533 -6.572 572 2HB LYS 74 1HB LYS 74 7.725 -5.769 -5.376 573 1HG LYS 74 2HG LYS 74 7.947 -7.528 -7.028 574 2HG LYS 74 1HG LYS 74 8.138 -6.347 -8.323 575 1HD LYS 74 2HD LYS 74 10.268 -5.640 -7.499 576 2HD LYS 74 1HD LYS 74 10.036 -6.485 -5.969 577 1HE LYS 74 2HE LYS 74 11.542 -7.571 -7.826 578 2HE LYS 74 1HE LYS 74 10.424 -8.586 -6.915 579 1HZ LYS 74 1HZ LYS 74 9.799 -7.336 -9.536 580 2HZ LYS 74 2HZ LYS 74 8.837 -8.445 -8.681 581 3HZ LYS 74 3HZ LYS 74 10.322 -8.939 -9.340 582 H GLY 75 H GLY 75 4.431 -7.215 -6.544 583 1HA GLY 75 2HA GLY 75 4.011 -7.822 -4.006 584 2HA GLY 75 1HA GLY 75 3.290 -6.215 -4.047 585 H GLU 76 H GLU 76 2.777 -7.084 -7.040 586 HA GLU 76 HA GLU 76 0.124 -7.311 -7.170 587 1HB GLU 76 2HB GLU 76 1.826 -9.221 -8.772 588 2HB GLU 76 1HB GLU 76 0.321 -8.439 -9.252 589 1HG GLU 76 2HG GLU 76 1.619 -6.213 -8.892 590 2HG GLU 76 1HG GLU 76 3.064 -7.222 -8.960 591 H LEU 77 H LEU 77 2.236 -10.060 -6.328 592 HA LEU 77 HA LEU 77 -0.169 -11.490 -5.356 593 1HB LEU 77 2HB LEU 77 0.744 -12.402 -7.549 594 2HB LEU 77 1HB LEU 77 2.187 -12.864 -6.655 595 HG LEU 77 HG LEU 77 0.467 -13.993 -5.016 596 1HD1 LEU 77 1HD1 LEU 77 -1.566 -13.127 -6.019 597 2HD1 LEU 77 2HD1 LEU 77 -1.508 -14.867 -6.296 598 3HD1 LEU 77 3HD1 LEU 77 -1.100 -13.755 -7.601 599 1HD2 LEU 77 1HD2 LEU 77 1.418 -14.963 -7.704 600 2HD2 LEU 77 2HD2 LEU 77 0.429 -16.013 -6.689 601 3HD2 LEU 77 3HD2 LEU 77 1.981 -15.422 -6.097 602 H GLY 78 H GLY 78 3.364 -11.199 -5.186 603 1HA GLY 78 2HA GLY 78 3.771 -12.837 -2.934 604 2HA GLY 78 1HA GLY 78 4.858 -11.565 -3.478 605 H ARG 79 H ARG 79 4.074 -12.365 -0.750 606 HA ARG 79 HA ARG 79 2.295 -10.512 0.426 607 1HB ARG 79 2HB ARG 79 4.738 -11.781 1.691 608 2HB ARG 79 1HB ARG 79 3.343 -11.113 2.537 609 1HG ARG 79 2HG ARG 79 2.503 -13.215 2.477 610 2HG ARG 79 1HG ARG 79 2.180 -12.902 0.773 611 1HD ARG 79 2HD ARG 79 3.466 -15.023 1.180 612 2HD ARG 79 1HD ARG 79 4.297 -13.884 0.126 613 HE ARG 79 HE ARG 79 5.045 -13.523 2.868 614 1HH1 ARG 79 1HH1 ARG 79 6.358 -14.082 -0.094 615 2HH1 ARG 79 2HH1 ARG 79 7.577 -15.202 0.414 616 1HH2 ARG 79 1HH2 ARG 79 6.276 -15.587 3.603 617 2HH2 ARG 79 2HH2 ARG 79 7.531 -16.053 2.503 618 H HIS 80 H HIS 80 5.628 -10.290 -0.590 619 HA HIS 80 HA HIS 80 6.267 -7.884 0.820 620 1HB HIS 80 2HB HIS 80 8.082 -9.214 -0.085 621 2HB HIS 80 1HB HIS 80 7.399 -9.127 -1.708 622 HD1 HIS 80 HD1 HIS 80 8.798 -6.792 0.960 623 HD2 HIS 80 HD2 HIS 80 8.286 -6.946 -3.174 624 HE1 HIS 80 HE1 HIS 80 9.943 -4.738 0.020 625 H LYS 81 H LYS 81 6.071 -5.719 0.051 626 HA LYS 81 HA LYS 81 4.586 -5.381 -2.463 627 1HB LYS 81 2HB LYS 81 2.941 -5.648 -0.655 628 2HB LYS 81 1HB LYS 81 3.699 -4.334 0.229 629 1HG LYS 81 2HG LYS 81 2.927 -2.709 -1.243 630 2HG LYS 81 1HG LYS 81 2.760 -3.850 -2.580 631 1HD LYS 81 2HD LYS 81 1.104 -4.475 -0.214 632 2HD LYS 81 1HD LYS 81 0.668 -2.984 -1.032 633 1HE LYS 81 2HE LYS 81 -0.478 -5.118 -1.867 634 2HE LYS 81 1HE LYS 81 0.272 -4.100 -3.095 635 1HZ LYS 81 1HZ LYS 81 2.298 -5.557 -2.773 636 2HZ LYS 81 2HZ LYS 81 0.974 -6.260 -3.569 637 3HZ LYS 81 3HZ LYS 81 1.281 -6.628 -1.939 638 H GLN 82 H GLN 82 4.612 -3.285 -3.314 639 HA GLN 82 HA GLN 82 5.978 -1.135 -2.010 640 1HB GLN 82 2HB GLN 82 7.634 -1.087 -4.136 641 2HB GLN 82 1HB GLN 82 8.078 -1.810 -2.593 642 1HG GLN 82 2HG GLN 82 7.300 -4.016 -3.429 643 2HG GLN 82 1HG GLN 82 6.945 -3.274 -4.989 644 1HE2 GLN 82 1HE2 GLN 82 9.224 -1.575 -5.260 645 2HE2 GLN 82 2HE2 GLN 82 10.612 -2.546 -5.376 646 H ILE 83 H ILE 83 3.847 -0.410 -2.497 647 HA ILE 83 HA ILE 83 3.050 -0.091 -5.254 648 HB ILE 83 HB ILE 83 1.841 1.187 -2.786 649 1HG1 ILE 83 2HG1 ILE 83 1.048 -1.427 -4.108 650 2HG1 ILE 83 1HG1 ILE 83 2.036 -1.336 -2.652 651 1HG2 ILE 83 1HG2 ILE 83 -0.179 1.290 -4.165 652 2HG2 ILE 83 2HG2 ILE 83 0.656 0.487 -5.493 653 3HG2 ILE 83 3HG2 ILE 83 1.143 2.107 -4.995 654 1HD1 ILE 83 1HD1 ILE 83 0.284 -0.511 -1.350 655 2HD1 ILE 83 2HD1 ILE 83 -0.571 -1.604 -2.435 656 3HD1 ILE 83 3HD1 ILE 83 -0.584 0.130 -2.744 657 H LYS 84 H LYS 84 2.754 1.917 -6.286 658 HA LYS 84 HA LYS 84 4.525 4.058 -5.276 659 1HB LYS 84 2HB LYS 84 5.606 3.097 -7.157 660 2HB LYS 84 1HB LYS 84 4.098 2.960 -8.055 661 1HG LYS 84 2HG LYS 84 5.436 4.822 -8.914 662 2HG LYS 84 1HG LYS 84 3.959 5.432 -8.172 663 1HD LYS 84 2HD LYS 84 6.008 5.226 -6.160 664 2HD LYS 84 1HD LYS 84 6.637 6.130 -7.535 665 1HE LYS 84 2HE LYS 84 4.154 7.235 -7.313 666 2HE LYS 84 1HE LYS 84 4.492 6.853 -5.626 667 1HZ LYS 84 1HZ LYS 84 6.096 8.384 -5.515 668 2HZ LYS 84 2HZ LYS 84 5.367 9.048 -6.900 669 3HZ LYS 84 3HZ LYS 84 6.710 8.018 -7.052 670 H ILE 85 H ILE 85 3.294 5.688 -4.591 671 HA ILE 85 HA ILE 85 0.747 6.257 -5.954 672 HB ILE 85 HB ILE 85 1.846 6.855 -3.218 673 1HG1 ILE 85 2HG1 ILE 85 -0.265 5.911 -2.504 674 2HG1 ILE 85 1HG1 ILE 85 -0.911 5.971 -4.142 675 1HG2 ILE 85 1HG2 ILE 85 1.110 9.026 -3.673 676 2HG2 ILE 85 2HG2 ILE 85 -0.363 8.287 -3.051 677 3HG2 ILE 85 3HG2 ILE 85 -0.142 8.481 -4.789 678 1HD1 ILE 85 1HD1 ILE 85 -0.036 3.694 -3.267 679 2HD1 ILE 85 2HD1 ILE 85 1.570 4.376 -3.511 680 3HD1 ILE 85 3HD1 ILE 85 0.469 4.204 -4.877 681 H ILE 86 H ILE 86 1.153 7.514 -7.690 682 HA ILE 86 HA ILE 86 3.130 9.650 -7.589 683 HB ILE 86 HB ILE 86 1.190 8.943 -9.805 684 1HG1 ILE 86 2HG1 ILE 86 4.075 8.069 -9.463 685 2HG1 ILE 86 1HG1 ILE 86 2.691 7.041 -9.104 686 1HG2 ILE 86 1HG2 ILE 86 3.245 10.003 -11.088 687 2HG2 ILE 86 2HG2 ILE 86 3.561 10.765 -9.529 688 3HG2 ILE 86 3HG2 ILE 86 2.026 11.045 -10.352 689 1HD1 ILE 86 1HD1 ILE 86 1.909 7.316 -11.448 690 2HD1 ILE 86 2HD1 ILE 86 3.502 6.567 -11.363 691 3HD1 ILE 86 3HD1 ILE 86 3.351 8.270 -11.798 692 H ASN 87 H ASN 87 2.635 11.871 -7.985 693 HA ASN 87 HA ASN 87 1.515 13.786 -7.288 694 1HB ASN 87 2HB ASN 87 -0.425 12.387 -9.136 695 2HB ASN 87 1HB ASN 87 -0.690 14.024 -8.539 696 1HD2 ASN 87 1HD2 ASN 87 -0.511 14.519 -10.983 697 2HD2 ASN 87 2HD2 ASN 87 1.045 14.781 -11.610 698 HA PRO 88 HA PRO 88 -0.949 11.741 -3.964 699 1HB PRO 88 2HB PRO 88 0.526 13.300 -2.039 700 2HB PRO 88 1HB PRO 88 0.566 11.549 -2.298 701 1HG PRO 88 2HG PRO 88 2.639 13.294 -2.833 702 2HG PRO 88 1HG PRO 88 2.468 11.665 -3.500 703 1HD PRO 88 2HD PRO 88 1.922 14.296 -4.795 704 2HD PRO 88 1HD PRO 88 2.476 12.770 -5.520 705 H GLN 89 H GLN 89 -2.678 12.561 -2.834 706 HA GLN 89 HA GLN 89 -3.075 15.496 -2.891 707 1HB GLN 89 2HB GLN 89 -5.207 13.372 -3.258 708 2HB GLN 89 1HB GLN 89 -5.448 15.118 -3.306 709 1HG GLN 89 2HG GLN 89 -3.568 13.674 -5.190 710 2HG GLN 89 1HG GLN 89 -5.261 13.970 -5.572 711 1HE2 GLN 89 1HE2 GLN 89 -2.131 15.348 -5.695 712 2HE2 GLN 89 2HE2 GLN 89 -2.596 16.941 -6.052 713 H GLN 90 H GLN 90 -3.422 12.463 -1.203 714 HA GLN 90 HA GLN 90 -3.858 13.897 1.310 715 1HB GLN 90 2HB GLN 90 -6.121 13.425 0.768 716 2HB GLN 90 1HB GLN 90 -5.725 11.821 0.154 717 1HG GLN 90 2HG GLN 90 -5.322 10.966 2.330 718 2HG GLN 90 1HG GLN 90 -5.234 12.578 3.037 719 1HE2 GLN 90 1HE2 GLN 90 -7.286 9.932 2.677 720 2HE2 GLN 90 2HE2 GLN 90 -8.766 10.717 2.946 721 H ILE 91 H ILE 91 -2.301 13.185 2.612 722 HA ILE 91 HA ILE 91 -1.433 10.368 2.388 723 HB ILE 91 HB ILE 91 0.383 11.826 1.786 724 1HG1 ILE 91 2HG1 ILE 91 1.106 11.272 4.634 725 2HG1 ILE 91 1HG1 ILE 91 0.602 9.902 3.645 726 1HG2 ILE 91 1HG2 ILE 91 0.094 13.222 4.458 727 2HG2 ILE 91 2HG2 ILE 91 -0.628 13.852 2.977 728 3HG2 ILE 91 3HG2 ILE 91 1.122 13.682 3.102 729 1HD1 ILE 91 1HD1 ILE 91 2.290 10.595 1.923 730 2HD1 ILE 91 2HD1 ILE 91 3.010 10.134 3.465 731 3HD1 ILE 91 3HD1 ILE 91 2.854 11.838 3.040 732 HA PRO 92 HA PRO 92 -3.321 10.013 6.420 733 1HB PRO 92 2HB PRO 92 -2.062 7.448 6.780 734 2HB PRO 92 1HB PRO 92 -3.754 7.799 6.403 735 1HG PRO 92 2HG PRO 92 -1.775 6.712 4.699 736 2HG PRO 92 1HG PRO 92 -3.448 7.121 4.309 737 1HD PRO 92 2HD PRO 92 -1.039 8.481 3.485 738 2HD PRO 92 1HD PRO 92 -2.717 8.836 3.029 739 HA PRO 93 HA PRO 93 -0.171 11.525 9.144 740 1HB PRO 93 2HB PRO 93 -1.296 10.206 11.437 741 2HB PRO 93 1HB PRO 93 -1.433 11.907 10.978 742 1HG PRO 93 2HG PRO 93 -3.368 9.768 10.714 743 2HG PRO 93 1HG PRO 93 -3.595 11.514 10.560 744 1HD PRO 93 2HD PRO 93 -3.699 9.708 8.456 745 2HD PRO 93 1HD PRO 93 -3.409 11.452 8.283 746 H GLU 94 H GLU 94 -1.116 8.133 9.303 747 HA GLU 94 HA GLU 94 0.887 7.059 10.883 748 1HB GLU 94 2HB GLU 94 -1.134 5.916 9.791 749 2HB GLU 94 1HB GLU 94 -0.099 5.723 8.376 750 1HG GLU 94 2HG GLU 94 0.179 3.712 9.624 751 2HG GLU 94 1HG GLU 94 1.619 4.669 9.963 752 H VAL 95 H VAL 95 0.928 7.391 7.328 753 HA VAL 95 HA VAL 95 3.673 6.596 7.102 754 HB VAL 95 HB VAL 95 2.033 8.134 5.073 755 1HG1 VAL 95 1HG1 VAL 95 4.410 7.983 4.543 756 2HG1 VAL 95 2HG1 VAL 95 3.516 6.892 3.485 757 3HG1 VAL 95 3HG1 VAL 95 4.403 6.249 4.868 758 1HG2 VAL 95 1HG2 VAL 95 2.189 5.144 5.588 759 2HG2 VAL 95 2HG2 VAL 95 1.428 5.884 4.178 760 3HG2 VAL 95 3HG2 VAL 95 0.762 6.162 5.787 761 H ALA 96 H ALA 96 2.019 9.475 7.862 762 HA ALA 96 HA ALA 96 4.034 11.336 7.009 763 1HB ALA 96 1HB ALA 96 2.147 12.049 9.193 764 2HB ALA 96 2HB ALA 96 1.452 11.649 7.623 765 3HB ALA 96 3HB ALA 96 2.615 12.967 7.762 766 H ALA 97 H ALA 97 3.493 9.377 9.825 767 HA ALA 97 HA ALA 97 4.997 10.827 11.721 768 1HB ALA 97 1HB ALA 97 4.462 7.860 11.472 769 2HB ALA 97 2HB ALA 97 3.557 9.027 12.435 770 3HB ALA 97 3HB ALA 97 5.214 8.614 12.877 771 H LEU 98 H LEU 98 5.945 8.785 9.066 772 HA LEU 98 HA LEU 98 8.723 8.650 10.007 773 1HB LEU 98 2HB LEU 98 7.640 7.528 7.421 774 2HB LEU 98 1HB LEU 98 9.093 7.045 8.296 775 HG LEU 98 HG LEU 98 6.245 6.688 9.287 776 1HD1 LEU 98 1HD1 LEU 98 6.629 4.307 8.901 777 2HD1 LEU 98 2HD1 LEU 98 8.271 4.634 8.346 778 3HD1 LEU 98 3HD1 LEU 98 6.893 5.192 7.398 779 1HD2 LEU 98 1HD2 LEU 98 7.502 6.858 11.245 780 2HD2 LEU 98 2HD2 LEU 98 8.960 6.219 10.487 781 3HD2 LEU 98 3HD2 LEU 98 7.638 5.133 10.909 782 H ILE 99 H ILE 99 6.744 10.641 8.147 783 HA ILE 99 HA ILE 99 8.974 11.601 6.480 784 HB ILE 99 HB ILE 99 5.994 12.136 6.324 785 1HG1 ILE 99 2HG1 ILE 99 7.835 10.651 4.418 786 2HG1 ILE 99 1HG1 ILE 99 6.850 9.850 5.643 787 1HG2 ILE 99 1HG2 ILE 99 6.805 13.092 4.024 788 2HG2 ILE 99 2HG2 ILE 99 8.368 13.240 4.826 789 3HG2 ILE 99 3HG2 ILE 99 6.966 14.099 5.463 790 1HD1 ILE 99 1HD1 ILE 99 5.581 9.787 3.613 791 2HD1 ILE 99 2HD1 ILE 99 5.893 11.491 3.289 792 3HD1 ILE 99 3HD1 ILE 99 4.837 11.026 4.622 793 H ASN 100 H ASN 100 6.789 12.550 9.059 794 HA ASN 100 HA ASN 100 7.514 15.339 8.988 795 1HB ASN 100 2HB ASN 100 5.366 14.110 9.975 796 2HB ASN 100 1HB ASN 100 6.349 14.098 11.438 797 1HD2 ASN 100 1HD2 ASN 100 5.880 16.543 8.812 798 2HD2 ASN 100 2HD2 ASN 100 5.512 17.814 9.875 799 H LEU 101 H LEU 101 8.378 12.527 10.974 800 HA LEU 101 HA LEU 101 10.269 12.096 12.219 801 1HB LEU 101 2HB LEU 101 11.299 13.716 10.354 802 2HB LEU 101 1HB LEU 101 11.452 14.796 11.739 803 HG LEU 101 HG LEU 101 12.445 11.932 11.756 804 1HD1 LEU 101 1HD1 LEU 101 13.648 13.216 10.034 805 2HD1 LEU 101 2HD1 LEU 101 14.698 12.894 11.414 806 3HD1 LEU 101 3HD1 LEU 101 13.980 14.492 11.206 807 1HD2 LEU 101 1HD2 LEU 101 12.569 14.286 13.616 808 2HD2 LEU 101 2HD2 LEU 101 13.922 13.156 13.592 809 3HD2 LEU 101 3HD2 LEU 101 12.303 12.583 13.985 810 H GLU 102 H GLU 102 9.083 15.442 12.497 811 HA GLU 102 HA GLU 102 9.843 16.230 14.960 812 1HB GLU 102 2HB GLU 102 7.036 16.374 13.834 813 2HB GLU 102 1HB GLU 102 7.601 17.301 15.223 814 1HG GLU 102 2HG GLU 102 9.283 18.413 13.868 815 2HG GLU 102 1HG GLU 102 8.890 17.397 12.482 816 H HIS 103 H HIS 103 10.234 14.706 16.496 817 HA HIS 103 HA HIS 103 7.871 13.445 17.717 818 1HB HIS 103 2HB HIS 103 9.005 11.321 17.922 819 2HB HIS 103 1HB HIS 103 9.066 11.808 16.226 820 HD1 HIS 103 HD1 HIS 103 11.407 13.576 15.977 821 HD2 HIS 103 HD2 HIS 103 11.482 10.296 18.547 822 HE1 HIS 103 HE1 HIS 103 13.848 13.021 16.357 823 H HIS 104 H HIS 104 8.396 15.515 18.967 824 HA HIS 104 HA HIS 104 10.576 15.985 20.555 825 1HB HIS 104 2HB HIS 104 7.650 16.316 21.251 826 2HB HIS 104 1HB HIS 104 8.973 17.017 22.183 827 HD1 HIS 104 HD1 HIS 104 10.769 18.374 20.428 828 HD2 HIS 104 HD2 HIS 104 6.741 18.122 19.384 829 HE1 HIS 104 HE1 HIS 104 10.353 20.212 18.738 830 H HIS 105 H HIS 105 7.714 14.581 22.107 831 HA HIS 105 HA HIS 105 9.312 12.405 23.232 832 1HB HIS 105 2HB HIS 105 9.556 14.338 24.807 833 2HB HIS 105 1HB HIS 105 7.804 14.339 25.012 834 HD1 HIS 105 HD1 HIS 105 9.730 11.126 24.674 835 HD2 HIS 105 HD2 HIS 105 7.927 13.373 27.688 836 HE1 HIS 105 HE1 HIS 105 9.684 9.656 26.735 837 H HIS 106 H HIS 106 8.096 10.726 22.600 838 HA HIS 106 HA HIS 106 6.252 9.411 22.161 839 1HB HIS 106 2HB HIS 106 6.309 9.251 24.606 840 2HB HIS 106 1HB HIS 106 5.355 10.727 24.742 841 HD1 HIS 106 HD1 HIS 106 2.861 10.459 24.705 842 HD2 HIS 106 HD2 HIS 106 4.801 7.074 23.233 843 HE1 HIS 106 HE1 HIS 106 1.064 8.721 24.307 844 H HIS 107 H HIS 107 6.116 11.349 20.444 845 HA HIS 107 HA HIS 107 3.756 12.990 20.716 846 1HB HIS 107 2HB HIS 107 5.798 13.695 19.440 847 2HB HIS 107 1HB HIS 107 5.405 12.473 18.231 848 HD1 HIS 107 HD1 HIS 107 2.192 13.376 19.117 849 HD2 HIS 107 HD2 HIS 107 5.175 15.479 17.099 850 HE1 HIS 107 HE1 HIS 107 1.020 15.189 17.797 851 H HIS 108 H HIS 108 1.869 11.933 20.736 852 HA HIS 108 HA HIS 108 0.089 10.674 20.029 853 1HB HIS 108 2HB HIS 108 0.816 12.002 17.861 854 2HB HIS 108 1HB HIS 108 1.295 10.398 17.302 855 HD1 HIS 108 HD1 HIS 108 -0.540 9.377 15.975 856 HD2 HIS 108 HD2 HIS 108 -2.033 11.624 19.152 857 HE1 HIS 108 HE1 HIS 108 -3.061 9.144 15.895 Start of MODEL 6 1 HA MET 1 HA MET 1 22.266 -7.492 6.045 2 1HB MET 1 2HB MET 1 23.245 -4.632 5.772 3 2HB MET 1 1HB MET 1 23.960 -5.853 6.825 4 1HG MET 1 2HG MET 1 23.611 -6.470 3.906 5 2HG MET 1 1HG MET 1 24.956 -5.448 4.413 6 1HE MET 1 1HE MET 1 24.912 -9.036 3.290 7 2HE MET 1 2HE MET 1 26.611 -8.718 3.629 8 3HE MET 1 3HE MET 1 25.616 -7.459 2.902 9 H ASP 2 H ASP 2 20.176 -4.753 5.951 10 HA ASP 2 HA ASP 2 19.029 -5.363 8.490 11 1HB ASP 2 2HB ASP 2 19.559 -2.988 9.418 12 2HB ASP 2 1HB ASP 2 20.766 -4.260 9.588 13 H GLY 3 H GLY 3 19.544 -2.650 6.228 14 1HA GLY 3 2HA GLY 3 17.928 -1.675 4.825 15 2HA GLY 3 1HA GLY 3 16.668 -2.529 5.710 16 H VAL 4 H VAL 4 18.376 -1.413 8.159 17 HA VAL 4 HA VAL 4 17.998 0.236 9.716 18 HB VAL 4 HB VAL 4 17.946 2.116 7.348 19 1HG1 VAL 4 1HG1 VAL 4 18.856 3.702 8.881 20 2HG1 VAL 4 2HG1 VAL 4 19.228 2.453 10.070 21 3HG1 VAL 4 3HG1 VAL 4 17.551 2.906 9.761 22 1HG2 VAL 4 1HG2 VAL 4 20.296 0.718 8.660 23 2HG2 VAL 4 2HG2 VAL 4 20.454 2.128 7.612 24 3HG2 VAL 4 3HG2 VAL 4 19.811 0.618 6.968 25 H MET 5 H MET 5 15.768 -0.905 9.707 26 HA MET 5 HA MET 5 13.447 -0.850 9.552 27 1HB MET 5 2HB MET 5 12.709 1.415 10.745 28 2HB MET 5 1HB MET 5 13.419 0.065 11.630 29 1HG MET 5 2HG MET 5 15.661 1.123 11.408 30 2HG MET 5 1HG MET 5 14.913 2.489 10.581 31 1HE MET 5 1HE MET 5 15.337 4.511 12.117 32 2HE MET 5 2HE MET 5 13.949 4.816 13.159 33 3HE MET 5 3HE MET 5 13.695 4.281 11.499 34 H SER 6 H SER 6 12.783 -0.713 7.427 35 HA SER 6 HA SER 6 12.179 2.004 6.512 36 1HB SER 6 2HB SER 6 12.412 0.982 4.163 37 2HB SER 6 1HB SER 6 13.902 1.266 5.058 38 HG SER 6 HG SER 6 14.014 -0.884 5.541 39 H ALA 7 H ALA 7 10.667 1.369 4.366 40 HA ALA 7 HA ALA 7 8.764 -0.527 4.280 41 1HB ALA 7 1HB ALA 7 7.940 -0.445 6.438 42 2HB ALA 7 2HB ALA 7 6.885 0.735 5.659 43 3HB ALA 7 3HB ALA 7 8.268 1.280 6.609 44 H VAL 8 H VAL 8 9.652 2.767 4.062 45 HA VAL 8 HA VAL 8 8.078 3.083 1.673 46 HB VAL 8 HB VAL 8 6.288 3.828 2.938 47 1HG1 VAL 8 1HG1 VAL 8 8.376 4.723 4.928 48 2HG1 VAL 8 2HG1 VAL 8 7.133 3.489 5.130 49 3HG1 VAL 8 3HG1 VAL 8 6.683 5.193 5.081 50 1HG2 VAL 8 1HG2 VAL 8 7.202 5.744 1.518 51 2HG2 VAL 8 2HG2 VAL 8 7.929 6.378 2.994 52 3HG2 VAL 8 3HG2 VAL 8 6.177 6.227 2.867 53 H THR 9 H THR 9 8.584 5.038 0.502 54 HA THR 9 HA THR 9 10.940 6.531 1.416 55 HB THR 9 HB THR 9 10.801 4.666 -0.921 56 HG1 THR 9 HG1 THR 9 12.287 5.085 1.316 57 1HG2 THR 9 1HG2 THR 9 12.283 7.295 -0.807 58 2HG2 THR 9 2HG2 THR 9 11.336 6.619 -2.133 59 3HG2 THR 9 3HG2 THR 9 12.913 5.936 -1.739 60 H VAL 10 H VAL 10 11.037 8.599 0.618 61 HA VAL 10 HA VAL 10 8.761 9.477 -1.040 62 HB VAL 10 HB VAL 10 9.499 11.785 -0.101 63 1HG1 VAL 10 1HG1 VAL 10 7.412 10.870 0.584 64 2HG1 VAL 10 2HG1 VAL 10 8.263 11.246 2.084 65 3HG1 VAL 10 3HG1 VAL 10 8.191 9.582 1.503 66 1HG2 VAL 10 1HG2 VAL 10 11.625 10.473 0.872 67 2HG2 VAL 10 2HG2 VAL 10 10.530 10.221 2.230 68 3HG2 VAL 10 3HG2 VAL 10 10.930 11.858 1.711 69 H ASN 11 H ASN 11 9.471 9.358 -3.102 70 HA ASN 11 HA ASN 11 12.150 10.160 -3.851 71 1HB ASN 11 2HB ASN 11 9.859 9.635 -5.742 72 2HB ASN 11 1HB ASN 11 11.587 9.468 -6.046 73 1HD2 ASN 11 1HD2 ASN 11 8.783 7.741 -5.153 74 2HD2 ASN 11 2HD2 ASN 11 9.550 6.328 -4.611 75 H ASP 12 H ASP 12 11.408 11.350 -6.365 76 HA ASP 12 HA ASP 12 10.636 14.046 -5.425 77 1HB ASP 12 2HB ASP 12 12.404 13.076 -7.666 78 2HB ASP 12 1HB ASP 12 11.758 14.716 -7.647 79 H ASP 13 H ASP 13 9.208 11.492 -6.554 80 HA ASP 13 HA ASP 13 7.529 12.944 -8.515 81 1HB ASP 13 2HB ASP 13 8.923 11.123 -9.497 82 2HB ASP 13 1HB ASP 13 8.141 9.981 -8.412 83 H GLY 14 H GLY 14 7.726 10.963 -5.671 84 1HA GLY 14 2HA GLY 14 5.225 11.661 -4.664 85 2HA GLY 14 1HA GLY 14 5.017 10.131 -5.510 86 H LEU 15 H LEU 15 4.939 8.553 -4.040 87 HA LEU 15 HA LEU 15 7.164 8.279 -2.153 88 1HB LEU 15 2HB LEU 15 5.321 7.566 -0.419 89 2HB LEU 15 1HB LEU 15 5.760 9.262 -0.603 90 HG LEU 15 HG LEU 15 3.723 8.579 -2.530 91 1HD1 LEU 15 1HD1 LEU 15 1.923 7.911 -1.108 92 2HD1 LEU 15 2HD1 LEU 15 2.895 8.141 0.346 93 3HD1 LEU 15 3HD1 LEU 15 3.255 6.810 -0.755 94 1HD2 LEU 15 1HD2 LEU 15 4.078 10.846 -1.841 95 2HD2 LEU 15 2HD2 LEU 15 3.928 10.420 -0.135 96 3HD2 LEU 15 3HD2 LEU 15 2.510 10.378 -1.182 97 H VAL 16 H VAL 16 7.327 6.172 -1.205 98 HA VAL 16 HA VAL 16 6.170 4.063 -2.925 99 HB VAL 16 HB VAL 16 8.637 3.801 -1.204 100 1HG1 VAL 16 1HG1 VAL 16 8.122 2.399 -3.805 101 2HG1 VAL 16 2HG1 VAL 16 7.255 1.856 -2.367 102 3HG1 VAL 16 3HG1 VAL 16 9.018 1.843 -2.390 103 1HG2 VAL 16 1HG2 VAL 16 8.272 5.057 -3.909 104 2HG2 VAL 16 2HG2 VAL 16 9.747 4.147 -3.576 105 3HG2 VAL 16 3HG2 VAL 16 9.332 5.546 -2.587 106 H LEU 17 H LEU 17 5.087 2.381 -2.009 107 HA LEU 17 HA LEU 17 4.769 2.435 0.936 108 1HB LEU 17 2HB LEU 17 2.782 2.895 -0.796 109 2HB LEU 17 1HB LEU 17 2.740 1.136 -0.831 110 HG LEU 17 HG LEU 17 1.225 1.778 0.884 111 1HD1 LEU 17 1HD1 LEU 17 2.105 0.667 2.771 112 2HD1 LEU 17 2HD1 LEU 17 3.740 1.253 2.467 113 3HD1 LEU 17 3HD1 LEU 17 3.041 0.011 1.430 114 1HD2 LEU 17 1HD2 LEU 17 1.573 3.482 2.459 115 2HD2 LEU 17 2HD2 LEU 17 2.364 4.135 1.025 116 3HD2 LEU 17 3HD2 LEU 17 3.328 3.401 2.309 117 H ARG 18 H ARG 18 6.467 0.984 1.352 118 HA ARG 18 HA ARG 18 6.331 -1.670 0.086 119 1HB ARG 18 2HB ARG 18 8.437 -1.094 2.096 120 2HB ARG 18 1HB ARG 18 8.556 -1.879 0.526 121 1HG ARG 18 2HG ARG 18 8.087 0.513 -0.429 122 2HG ARG 18 1HG ARG 18 8.603 1.056 1.166 123 1HD ARG 18 2HD ARG 18 10.196 -0.606 -0.801 124 2HD ARG 18 1HD ARG 18 10.553 1.030 -0.255 125 HE ARG 18 HE ARG 18 10.443 -0.799 1.944 126 1HH1 ARG 18 1HH1 ARG 18 12.369 -0.137 -0.850 127 2HH1 ARG 18 2HH1 ARG 18 13.879 -0.393 -0.038 128 1HH2 ARG 18 1HH2 ARG 18 12.428 -0.957 3.058 129 2HH2 ARG 18 2HH2 ARG 18 13.911 -0.848 2.170 130 H LEU 19 H LEU 19 4.939 -3.024 1.057 131 HA LEU 19 HA LEU 19 5.242 -3.473 3.935 132 1HB LEU 19 2HB LEU 19 2.928 -3.273 4.469 133 2HB LEU 19 1HB LEU 19 3.376 -1.803 3.613 134 HG LEU 19 HG LEU 19 2.563 -3.184 1.491 135 1HD1 LEU 19 1HD1 LEU 19 1.563 -4.718 3.829 136 2HD1 LEU 19 2HD1 LEU 19 1.820 -5.243 2.165 137 3HD1 LEU 19 3HD1 LEU 19 0.355 -4.360 2.594 138 1HD2 LEU 19 1HD2 LEU 19 1.202 -1.463 3.463 139 2HD2 LEU 19 2HD2 LEU 19 0.104 -2.411 2.460 140 3HD2 LEU 19 3HD2 LEU 19 1.270 -1.323 1.706 141 H TYR 20 H TYR 20 3.611 -5.344 4.552 142 HA TYR 20 HA TYR 20 4.038 -7.489 2.561 143 1HB TYR 20 2HB TYR 20 5.210 -7.550 4.838 144 2HB TYR 20 1HB TYR 20 3.619 -7.835 5.531 145 HD1 TYR 20 HD1 TYR 20 5.979 -9.135 2.922 146 HD2 TYR 20 HD2 TYR 20 2.746 -10.006 5.616 147 HE1 TYR 20 HE1 TYR 20 6.204 -11.554 2.413 148 HE2 TYR 20 HE2 TYR 20 2.968 -12.418 5.103 149 HH TYR 20 HH TYR 20 4.157 -13.968 4.057 150 H ILE 21 H ILE 21 2.155 -7.692 1.451 151 HA ILE 21 HA ILE 21 -0.423 -7.223 2.598 152 HB ILE 21 HB ILE 21 0.603 -8.255 -0.020 153 1HG1 ILE 21 2HG1 ILE 21 0.136 -5.790 0.670 154 2HG1 ILE 21 1HG1 ILE 21 -0.479 -6.342 -0.888 155 1HG2 ILE 21 1HG2 ILE 21 -2.121 -8.778 1.135 156 2HG2 ILE 21 2HG2 ILE 21 -1.121 -9.814 0.116 157 3HG2 ILE 21 3HG2 ILE 21 -1.966 -8.438 -0.588 158 1HD1 ILE 21 1HD1 ILE 21 -2.041 -5.045 0.842 159 2HD1 ILE 21 2HD1 ILE 21 -2.251 -6.668 1.500 160 3HD1 ILE 21 3HD1 ILE 21 -2.675 -6.335 -0.180 161 H GLN 22 H GLN 22 -1.641 -8.536 3.758 162 HA GLN 22 HA GLN 22 -1.049 -11.432 3.722 163 1HB GLN 22 2HB GLN 22 -0.443 -9.914 5.832 164 2HB GLN 22 1HB GLN 22 -2.151 -10.162 6.193 165 1HG GLN 22 2HG GLN 22 -0.120 -12.353 5.663 166 2HG GLN 22 1HG GLN 22 -0.776 -11.919 7.240 167 1HE2 GLN 22 1HE2 GLN 22 -1.397 -13.714 4.312 168 2HE2 GLN 22 2HE2 GLN 22 -2.931 -14.290 4.759 169 HA PRO 23 HA PRO 23 -5.461 -10.846 2.622 170 1HB PRO 23 2HB PRO 23 -5.200 -13.086 0.824 171 2HB PRO 23 1HB PRO 23 -5.443 -11.378 0.423 172 1HG PRO 23 2HG PRO 23 -3.150 -12.838 -0.073 173 2HG PRO 23 1HG PRO 23 -3.266 -11.073 -0.043 174 1HD PRO 23 2HD PRO 23 -2.168 -12.922 2.020 175 2HD PRO 23 1HD PRO 23 -1.717 -11.243 1.648 176 H LYS 24 H LYS 24 -7.297 -12.290 2.880 177 HA LYS 24 HA LYS 24 -8.488 -14.013 3.823 178 1HB LYS 24 2HB LYS 24 -5.860 -15.477 4.163 179 2HB LYS 24 1HB LYS 24 -7.481 -16.164 4.220 180 1HG LYS 24 2HG LYS 24 -7.841 -15.774 1.895 181 2HG LYS 24 1HG LYS 24 -6.424 -14.731 1.776 182 1HD LYS 24 2HD LYS 24 -5.981 -17.514 2.749 183 2HD LYS 24 1HD LYS 24 -6.353 -17.310 1.037 184 1HE LYS 24 2HE LYS 24 -4.495 -15.760 0.767 185 2HE LYS 24 1HE LYS 24 -4.170 -15.796 2.500 186 1HZ LYS 24 1HZ LYS 24 -2.863 -17.529 2.138 187 2HZ LYS 24 2HZ LYS 24 -3.294 -17.582 0.495 188 3HZ LYS 24 3HZ LYS 24 -4.213 -18.429 1.646 189 H ALA 25 H ALA 25 -7.756 -11.818 5.349 190 HA ALA 25 HA ALA 25 -6.862 -12.841 7.936 191 1HB ALA 25 1HB ALA 25 -7.793 -10.032 7.386 192 2HB ALA 25 2HB ALA 25 -6.211 -10.568 6.822 193 3HB ALA 25 3HB ALA 25 -6.590 -10.599 8.546 194 H SER 26 H SER 26 -9.441 -10.655 6.935 195 HA SER 26 HA SER 26 -11.730 -12.012 7.442 196 1HB SER 26 2HB SER 26 -12.188 -11.138 9.877 197 2HB SER 26 1HB SER 26 -11.304 -12.643 9.652 198 HG SER 26 HG SER 26 -9.890 -10.223 9.696 199 H ARG 27 H ARG 27 -9.851 -9.159 7.734 200 HA ARG 27 HA ARG 27 -11.806 -7.509 6.484 201 1HB ARG 27 2HB ARG 27 -11.999 -5.900 8.468 202 2HB ARG 27 1HB ARG 27 -12.936 -7.390 8.577 203 1HG ARG 27 2HG ARG 27 -11.298 -8.404 10.033 204 2HG ARG 27 1HG ARG 27 -10.170 -7.074 9.779 205 1HD ARG 27 2HD ARG 27 -11.863 -5.528 10.809 206 2HD ARG 27 1HD ARG 27 -12.847 -6.937 11.191 207 HE ARG 27 HE ARG 27 -10.482 -7.592 12.312 208 1HH1 ARG 27 1HH1 ARG 27 -9.998 -4.547 12.343 209 2HH1 ARG 27 2HH1 ARG 27 -10.535 -4.146 13.941 210 1HH2 ARG 27 1HH2 ARG 27 -12.209 -7.144 14.421 211 2HH2 ARG 27 2HH2 ARG 27 -11.784 -5.615 15.116 212 H ASP 28 H ASP 28 -10.864 -5.625 5.713 213 HA ASP 28 HA ASP 28 -8.052 -5.513 5.603 214 1HB ASP 28 2HB ASP 28 -8.793 -2.979 4.929 215 2HB ASP 28 1HB ASP 28 -8.727 -4.351 3.837 216 H SER 29 H SER 29 -7.288 -5.541 7.630 217 HA SER 29 HA SER 29 -7.493 -2.990 9.113 218 1HB SER 29 2HB SER 29 -7.842 -5.782 10.125 219 2HB SER 29 1HB SER 29 -7.102 -4.582 11.181 220 HG SER 29 HG SER 29 -8.925 -3.334 11.015 221 H ILE 30 H ILE 30 -5.595 -2.056 9.504 222 HA ILE 30 HA ILE 30 -3.124 -3.469 8.880 223 HB ILE 30 HB ILE 30 -2.461 -0.954 9.937 224 1HG1 ILE 30 2HG1 ILE 30 -5.034 -0.858 8.329 225 2HG1 ILE 30 1HG1 ILE 30 -4.760 -0.206 9.946 226 1HG2 ILE 30 1HG2 ILE 30 -1.606 -2.211 7.893 227 2HG2 ILE 30 2HG2 ILE 30 -1.798 -0.470 7.691 228 3HG2 ILE 30 3HG2 ILE 30 -3.002 -1.574 7.025 229 1HD1 ILE 30 1HD1 ILE 30 -2.847 1.151 8.698 230 2HD1 ILE 30 2HD1 ILE 30 -4.514 1.720 8.674 231 3HD1 ILE 30 3HD1 ILE 30 -3.862 0.848 7.286 232 H VAL 31 H VAL 31 -3.816 -4.951 10.676 233 HA VAL 31 HA VAL 31 -3.219 -4.016 13.368 234 HB VAL 31 HB VAL 31 -3.784 -6.539 13.794 235 1HG1 VAL 31 1HG1 VAL 31 -5.235 -4.926 14.706 236 2HG1 VAL 31 2HG1 VAL 31 -6.292 -5.821 13.614 237 3HG1 VAL 31 3HG1 VAL 31 -5.635 -4.260 13.123 238 1HG2 VAL 31 1HG2 VAL 31 -3.777 -6.937 11.250 239 2HG2 VAL 31 2HG2 VAL 31 -5.322 -6.086 11.237 240 3HG2 VAL 31 3HG2 VAL 31 -5.147 -7.580 12.155 241 H GLY 32 H GLY 32 -1.100 -4.598 11.157 242 1HA GLY 32 2HA GLY 32 0.684 -6.110 12.944 243 2HA GLY 32 1HA GLY 32 0.488 -6.664 11.281 244 H LEU 33 H LEU 33 0.504 -3.380 12.443 245 HA LEU 33 HA LEU 33 2.486 -2.571 10.520 246 1HB LEU 33 2HB LEU 33 1.030 -1.152 12.753 247 2HB LEU 33 1HB LEU 33 2.131 -0.340 11.633 248 HG LEU 33 HG LEU 33 -0.473 -1.747 11.004 249 1HD1 LEU 33 1HD1 LEU 33 -0.740 0.561 9.797 250 2HD1 LEU 33 2HD1 LEU 33 0.571 1.071 10.862 251 3HD1 LEU 33 3HD1 LEU 33 -0.943 0.480 11.548 252 1HD2 LEU 33 1HD2 LEU 33 1.873 -1.082 9.260 253 2HD2 LEU 33 2HD2 LEU 33 0.249 -0.908 8.593 254 3HD2 LEU 33 3HD2 LEU 33 0.794 -2.476 9.193 255 H HIS 34 H HIS 34 4.587 -2.830 10.828 256 HA HIS 34 HA HIS 34 5.604 -3.062 13.571 257 1HB HIS 34 2HB HIS 34 6.053 -4.910 11.967 258 2HB HIS 34 1HB HIS 34 6.958 -3.783 10.969 259 HD1 HIS 34 HD1 HIS 34 9.302 -4.725 11.338 260 HD2 HIS 34 HD2 HIS 34 7.320 -3.924 14.916 261 HE1 HIS 34 HE1 HIS 34 11.015 -5.000 13.183 262 H GLY 35 H GLY 35 7.670 -2.074 14.106 263 1HA GLY 35 2HA GLY 35 7.769 0.680 13.311 264 2HA GLY 35 1HA GLY 35 8.887 -0.131 14.408 265 H ASP 36 H ASP 36 9.200 -2.243 12.201 266 HA ASP 36 HA ASP 36 11.136 -0.724 10.549 267 1HB ASP 36 2HB ASP 36 11.299 -3.655 11.264 268 2HB ASP 36 1HB ASP 36 12.514 -2.691 10.442 269 H GLU 37 H GLU 37 8.309 -2.620 10.563 270 HA GLU 37 HA GLU 37 8.349 -2.724 7.629 271 1HB GLU 37 2HB GLU 37 7.469 -5.143 9.212 272 2HB GLU 37 1HB GLU 37 7.750 -5.013 7.478 273 1HG GLU 37 2HG GLU 37 10.170 -4.554 7.954 274 2HG GLU 37 1HG GLU 37 9.851 -4.866 9.658 275 H VAL 38 H VAL 38 6.018 -3.812 7.040 276 HA VAL 38 HA VAL 38 3.932 -2.706 8.766 277 HB VAL 38 HB VAL 38 4.384 -1.920 5.881 278 1HG1 VAL 38 1HG1 VAL 38 2.156 -0.575 7.078 279 2HG1 VAL 38 2HG1 VAL 38 1.911 -2.312 7.257 280 3HG1 VAL 38 3HG1 VAL 38 2.166 -1.618 5.659 281 1HG2 VAL 38 1HG2 VAL 38 4.216 0.386 6.952 282 2HG2 VAL 38 2HG2 VAL 38 5.651 -0.545 7.380 283 3HG2 VAL 38 3HG2 VAL 38 4.305 -0.430 8.515 284 H LYS 39 H LYS 39 2.436 -4.239 8.999 285 HA LYS 39 HA LYS 39 2.018 -6.094 6.735 286 1HB LYS 39 2HB LYS 39 2.972 -6.749 9.254 287 2HB LYS 39 1HB LYS 39 1.254 -7.154 9.343 288 1HG LYS 39 2HG LYS 39 1.843 -8.126 6.880 289 2HG LYS 39 1HG LYS 39 3.398 -8.353 7.675 290 1HD LYS 39 2HD LYS 39 0.708 -9.466 8.511 291 2HD LYS 39 1HD LYS 39 2.147 -10.369 8.047 292 1HE LYS 39 2HE LYS 39 1.542 -8.953 10.616 293 2HE LYS 39 1HE LYS 39 2.281 -10.531 10.356 294 1HZ LYS 39 1HZ LYS 39 4.066 -8.888 9.210 295 2HZ LYS 39 2HZ LYS 39 4.167 -9.448 10.810 296 3HZ LYS 39 3HZ LYS 39 3.505 -7.920 10.484 297 H VAL 40 H VAL 40 0.105 -5.864 5.845 298 HA VAL 40 HA VAL 40 -2.142 -4.923 7.525 299 HB VAL 40 HB VAL 40 -1.434 -3.402 5.649 300 1HG1 VAL 40 1HG1 VAL 40 -0.894 -5.442 4.143 301 2HG1 VAL 40 2HG1 VAL 40 -1.670 -4.049 3.390 302 3HG1 VAL 40 3HG1 VAL 40 -2.625 -5.472 3.805 303 1HG2 VAL 40 1HG2 VAL 40 -3.675 -2.903 4.996 304 2HG2 VAL 40 2HG2 VAL 40 -3.818 -3.638 6.591 305 3HG2 VAL 40 3HG2 VAL 40 -4.176 -4.587 5.150 306 H ALA 41 H ALA 41 -3.926 -6.142 7.655 307 HA ALA 41 HA ALA 41 -3.916 -8.711 6.222 308 1HB ALA 41 1HB ALA 41 -4.650 -9.586 8.151 309 2HB ALA 41 2HB ALA 41 -6.042 -8.506 8.138 310 3HB ALA 41 3HB ALA 41 -4.535 -7.994 8.899 311 H ILE 42 H ILE 42 -4.880 -8.446 4.299 312 HA ILE 42 HA ILE 42 -7.301 -6.782 4.147 313 HB ILE 42 HB ILE 42 -5.335 -6.468 2.551 314 1HG1 ILE 42 2HG1 ILE 42 -7.239 -6.903 0.541 315 2HG1 ILE 42 1HG1 ILE 42 -8.200 -6.634 1.993 316 1HG2 ILE 42 1HG2 ILE 42 -5.226 -8.062 0.650 317 2HG2 ILE 42 2HG2 ILE 42 -6.385 -9.105 1.468 318 3HG2 ILE 42 3HG2 ILE 42 -4.796 -8.829 2.179 319 1HD1 ILE 42 1HD1 ILE 42 -7.222 -4.506 2.377 320 2HD1 ILE 42 2HD1 ILE 42 -7.517 -4.555 0.640 321 3HD1 ILE 42 3HD1 ILE 42 -5.893 -4.833 1.267 322 H THR 43 H THR 43 -9.172 -7.597 3.046 323 HA THR 43 HA THR 43 -9.650 -10.406 3.694 324 HB THR 43 HB THR 43 -11.227 -8.751 4.532 325 HG1 THR 43 HG1 THR 43 -12.928 -9.923 4.025 326 1HG2 THR 43 1HG2 THR 43 -11.022 -6.993 2.910 327 2HG2 THR 43 2HG2 THR 43 -12.692 -7.552 2.854 328 3HG2 THR 43 3HG2 THR 43 -11.553 -8.052 1.604 329 H ALA 44 H ALA 44 -8.085 -9.580 1.280 330 HA ALA 44 HA ALA 44 -9.849 -10.474 -0.890 331 1HB ALA 44 1HB ALA 44 -6.979 -9.787 -1.352 332 2HB ALA 44 2HB ALA 44 -8.099 -8.480 -0.963 333 3HB ALA 44 3HB ALA 44 -8.384 -9.496 -2.375 334 HA PRO 45 HA PRO 45 -8.039 -14.498 -1.153 335 1HB PRO 45 2HB PRO 45 -7.908 -14.518 -4.044 336 2HB PRO 45 1HB PRO 45 -9.144 -15.234 -2.999 337 1HG PRO 45 2HG PRO 45 -9.541 -13.112 -4.678 338 2HG PRO 45 1HG PRO 45 -10.538 -13.484 -3.267 339 1HD PRO 45 2HD PRO 45 -8.377 -11.427 -3.554 340 2HD PRO 45 1HD PRO 45 -9.894 -11.354 -2.627 341 HA PRO 46 HA PRO 46 -3.693 -14.459 -2.071 342 1HB PRO 46 2HB PRO 46 -3.553 -17.042 -3.351 343 2HB PRO 46 1HB PRO 46 -3.195 -16.637 -1.665 344 1HG PRO 46 2HG PRO 46 -5.315 -18.180 -2.518 345 2HG PRO 46 1HG PRO 46 -5.203 -17.365 -0.951 346 1HD PRO 46 2HD PRO 46 -6.740 -16.563 -3.386 347 2HD PRO 46 1HD PRO 46 -7.132 -16.317 -1.668 348 H VAL 47 H VAL 47 -5.880 -14.355 -4.548 349 HA VAL 47 HA VAL 47 -3.948 -14.520 -6.745 350 HB VAL 47 HB VAL 47 -5.921 -14.189 -8.199 351 1HG1 VAL 47 1HG1 VAL 47 -6.878 -16.353 -7.815 352 2HG1 VAL 47 2HG1 VAL 47 -6.496 -16.289 -6.095 353 3HG1 VAL 47 3HG1 VAL 47 -5.201 -16.454 -7.280 354 1HG2 VAL 47 1HG2 VAL 47 -8.070 -14.590 -6.448 355 2HG2 VAL 47 2HG2 VAL 47 -7.675 -13.090 -7.290 356 3HG2 VAL 47 3HG2 VAL 47 -7.083 -13.363 -5.652 357 H ASP 48 H ASP 48 -3.828 -12.784 -8.325 358 HA ASP 48 HA ASP 48 -3.534 -10.227 -7.001 359 1HB ASP 48 2HB ASP 48 -3.107 -10.787 -9.934 360 2HB ASP 48 1HB ASP 48 -2.391 -9.512 -8.952 361 H GLY 49 H GLY 49 -5.429 -11.501 -9.736 362 1HA GLY 49 2HA GLY 49 -6.720 -9.278 -10.634 363 2HA GLY 49 1HA GLY 49 -7.519 -10.840 -10.493 364 H GLN 50 H GLN 50 -7.651 -11.183 -7.771 365 HA GLN 50 HA GLN 50 -9.778 -9.342 -7.101 366 1HB GLN 50 2HB GLN 50 -8.685 -11.855 -5.865 367 2HB GLN 50 1HB GLN 50 -9.800 -10.822 -4.970 368 1HG GLN 50 2HG GLN 50 -11.191 -12.392 -6.086 369 2HG GLN 50 1HG GLN 50 -11.319 -10.910 -7.030 370 1HE2 GLN 50 1HE2 GLN 50 -10.523 -14.255 -7.207 371 2HE2 GLN 50 2HE2 GLN 50 -9.896 -14.244 -8.784 372 H ALA 51 H ALA 51 -6.636 -10.228 -5.603 373 HA ALA 51 HA ALA 51 -6.776 -8.371 -3.474 374 1HB ALA 51 1HB ALA 51 -5.118 -10.263 -3.701 375 2HB ALA 51 2HB ALA 51 -4.422 -8.725 -3.196 376 3HB ALA 51 3HB ALA 51 -4.244 -9.268 -4.865 377 H ASN 52 H ASN 52 -5.030 -8.116 -6.567 378 HA ASN 52 HA ASN 52 -4.087 -5.541 -6.435 379 1HB ASN 52 2HB ASN 52 -3.745 -7.191 -8.313 380 2HB ASN 52 1HB ASN 52 -5.342 -6.753 -8.909 381 1HD2 ASN 52 1HD2 ASN 52 -2.204 -6.140 -9.552 382 2HD2 ASN 52 2HD2 ASN 52 -2.304 -4.530 -10.079 383 H SER 53 H SER 53 -7.350 -6.587 -7.478 384 HA SER 53 HA SER 53 -8.424 -4.126 -8.178 385 1HB SER 53 2HB SER 53 -10.491 -5.135 -8.061 386 2HB SER 53 1HB SER 53 -9.480 -6.574 -8.050 387 HG SER 53 HG SER 53 -9.638 -6.598 -5.798 388 H HIS 54 H HIS 54 -8.258 -5.603 -4.927 389 HA HIS 54 HA HIS 54 -9.463 -3.444 -3.546 390 1HB HIS 54 2HB HIS 54 -9.086 -4.692 -1.688 391 2HB HIS 54 1HB HIS 54 -8.566 -5.933 -2.816 392 HD1 HIS 54 HD1 HIS 54 -6.864 -2.864 -1.291 393 HD2 HIS 54 HD2 HIS 54 -6.132 -6.902 -2.016 394 HE1 HIS 54 HE1 HIS 54 -4.528 -3.332 -0.436 395 H LEU 55 H LEU 55 -6.104 -4.280 -4.245 396 HA LEU 55 HA LEU 55 -4.801 -2.341 -2.838 397 1HB LEU 55 2HB LEU 55 -3.989 -4.217 -4.572 398 2HB LEU 55 1HB LEU 55 -3.831 -2.811 -5.619 399 HG LEU 55 HG LEU 55 -1.719 -3.016 -4.552 400 1HD1 LEU 55 1HD1 LEU 55 -3.070 -1.088 -2.673 401 2HD1 LEU 55 2HD1 LEU 55 -2.965 -0.727 -4.395 402 3HD1 LEU 55 3HD1 LEU 55 -1.495 -0.954 -3.453 403 1HD2 LEU 55 1HD2 LEU 55 -3.146 -4.379 -2.598 404 2HD2 LEU 55 2HD2 LEU 55 -2.587 -2.936 -1.755 405 3HD2 LEU 55 3HD2 LEU 55 -1.425 -4.005 -2.539 406 H VAL 56 H VAL 56 -5.735 -2.049 -6.266 407 HA VAL 56 HA VAL 56 -5.166 0.653 -6.605 408 HB VAL 56 HB VAL 56 -6.141 -1.343 -8.202 409 1HG1 VAL 56 1HG1 VAL 56 -8.362 0.699 -8.174 410 2HG1 VAL 56 2HG1 VAL 56 -8.459 -0.767 -7.199 411 3HG1 VAL 56 3HG1 VAL 56 -8.329 -0.884 -8.951 412 1HG2 VAL 56 1HG2 VAL 56 -6.229 1.645 -8.729 413 2HG2 VAL 56 2HG2 VAL 56 -6.230 0.391 -9.970 414 3HG2 VAL 56 3HG2 VAL 56 -4.821 0.601 -8.930 415 H LYS 57 H LYS 57 -7.796 -0.921 -4.980 416 HA LYS 57 HA LYS 57 -9.484 1.435 -4.871 417 1HB LYS 57 2HB LYS 57 -9.927 -1.285 -4.605 418 2HB LYS 57 1HB LYS 57 -10.092 -0.689 -2.953 419 1HG LYS 57 2HG LYS 57 -11.665 1.056 -3.766 420 2HG LYS 57 1HG LYS 57 -11.544 0.382 -5.392 421 1HD LYS 57 2HD LYS 57 -12.390 -1.790 -4.536 422 2HD LYS 57 1HD LYS 57 -12.558 -1.075 -2.932 423 1HE LYS 57 2HE LYS 57 -14.124 0.613 -3.867 424 2HE LYS 57 1HE LYS 57 -13.988 -0.159 -5.447 425 1HZ LYS 57 1HZ LYS 57 -14.876 -1.580 -3.000 426 2HZ LYS 57 2HZ LYS 57 -14.944 -2.141 -4.602 427 3HZ LYS 57 3HZ LYS 57 -15.946 -0.863 -4.105 428 H PHE 58 H PHE 58 -8.274 -0.577 -2.170 429 HA PHE 58 HA PHE 58 -8.541 1.034 -0.051 430 1HB PHE 58 2HB PHE 58 -7.061 -1.204 -0.536 431 2HB PHE 58 1HB PHE 58 -5.787 -0.028 -0.224 432 HD1 PHE 58 HD1 PHE 58 -5.067 0.045 1.992 433 HD2 PHE 58 HD2 PHE 58 -9.200 -0.783 1.156 434 HE1 PHE 58 HE1 PHE 58 -5.524 -0.132 4.423 435 HE2 PHE 58 HE2 PHE 58 -9.656 -0.957 3.586 436 HZ PHE 58 HZ PHE 58 -7.818 -0.635 5.221 437 H LEU 59 H LEU 59 -5.487 1.195 -1.930 438 HA LEU 59 HA LEU 59 -4.668 3.649 -0.757 439 1HB LEU 59 2HB LEU 59 -3.815 2.121 -3.199 440 2HB LEU 59 1HB LEU 59 -3.184 3.733 -2.899 441 HG LEU 59 HG LEU 59 -1.771 1.825 -2.003 442 1HD1 LEU 59 1HD1 LEU 59 -1.122 3.034 -0.074 443 2HD1 LEU 59 2HD1 LEU 59 -2.758 3.632 0.202 444 3HD1 LEU 59 3HD1 LEU 59 -1.809 4.248 -1.151 445 1HD2 LEU 59 1HD2 LEU 59 -2.489 0.648 -0.038 446 2HD2 LEU 59 2HD2 LEU 59 -3.802 0.513 -1.207 447 3HD2 LEU 59 3HD2 LEU 59 -3.921 1.664 0.124 448 H GLY 60 H GLY 60 -6.467 2.851 -3.695 449 1HA GLY 60 2HA GLY 60 -6.469 5.345 -4.941 450 2HA GLY 60 1HA GLY 60 -7.770 4.165 -5.071 451 H LYS 61 H LYS 61 -8.580 4.104 -2.359 452 HA LYS 61 HA LYS 61 -10.130 6.554 -2.260 453 1HB LYS 61 2HB LYS 61 -10.299 4.809 0.096 454 2HB LYS 61 1HB LYS 61 -11.576 5.401 -0.964 455 1HG LYS 61 2HG LYS 61 -10.574 3.679 -2.673 456 2HG LYS 61 1HG LYS 61 -9.880 2.944 -1.226 457 1HD LYS 61 2HD LYS 61 -11.997 1.869 -1.603 458 2HD LYS 61 1HD LYS 61 -12.212 2.952 -0.229 459 1HE LYS 61 2HE LYS 61 -12.734 4.163 -2.883 460 2HE LYS 61 1HE LYS 61 -13.871 2.907 -2.390 461 1HZ LYS 61 1HZ LYS 61 -14.841 4.580 -1.291 462 2HZ LYS 61 2HZ LYS 61 -13.447 5.550 -1.295 463 3HZ LYS 61 3HZ LYS 61 -13.627 4.321 -0.135 464 H GLN 62 H GLN 62 -7.875 4.874 -0.094 465 HA GLN 62 HA GLN 62 -7.746 6.773 1.921 466 1HB GLN 62 2HB GLN 62 -5.789 4.719 0.930 467 2HB GLN 62 1HB GLN 62 -5.385 5.784 2.274 468 1HG GLN 62 2HG GLN 62 -7.869 4.048 2.168 469 2HG GLN 62 1HG GLN 62 -6.383 3.601 3.001 470 1HE2 GLN 62 1HE2 GLN 62 -5.644 5.990 4.250 471 2HE2 GLN 62 2HE2 GLN 62 -6.855 6.475 5.335 472 H PHE 63 H PHE 63 -5.605 6.455 -0.926 473 HA PHE 63 HA PHE 63 -4.291 8.961 -0.254 474 1HB PHE 63 2HB PHE 63 -3.738 6.679 -2.013 475 2HB PHE 63 1HB PHE 63 -3.320 8.241 -2.721 476 HD1 PHE 63 HD1 PHE 63 -1.632 9.672 -1.722 477 HD2 PHE 63 HD2 PHE 63 -2.692 5.907 0.062 478 HE1 PHE 63 HE1 PHE 63 0.362 9.809 -0.249 479 HE2 PHE 63 HE2 PHE 63 -0.697 6.043 1.534 480 HZ PHE 63 HZ PHE 63 0.829 7.997 1.378 481 H ARG 64 H ARG 64 -6.914 7.912 -2.189 482 HA ARG 64 HA ARG 64 -8.328 9.003 -3.616 483 1HB ARG 64 2HB ARG 64 -7.205 11.128 -1.900 484 2HB ARG 64 1HB ARG 64 -7.935 11.661 -3.407 485 1HG ARG 64 2HG ARG 64 -9.995 10.415 -2.867 486 2HG ARG 64 1HG ARG 64 -9.268 9.874 -1.355 487 1HD ARG 64 2HD ARG 64 -9.109 12.165 -0.555 488 2HD ARG 64 1HD ARG 64 -9.685 12.780 -2.101 489 HE ARG 64 HE ARG 64 -11.362 11.098 -0.325 490 1HH1 ARG 64 1HH2 ARG 64 -10.872 14.285 -1.222 491 2HH1 ARG 64 2HH2 ARG 64 -12.502 14.600 -1.713 492 1HH2 ARG 64 1HH1 ARG 64 -13.486 11.281 -1.493 493 2HH2 ARG 64 2HH1 ARG 64 -13.986 12.897 -1.862 494 H VAL 65 H VAL 65 -5.110 8.845 -4.125 495 HA VAL 65 HA VAL 65 -4.849 10.728 -6.304 496 HB VAL 65 HB VAL 65 -2.701 9.618 -6.748 497 1HG1 VAL 65 1HG1 VAL 65 -2.530 11.286 -5.097 498 2HG1 VAL 65 2HG1 VAL 65 -1.731 9.886 -4.379 499 3HG1 VAL 65 3HG1 VAL 65 -3.374 10.309 -3.896 500 1HG2 VAL 65 1HG2 VAL 65 -3.082 7.320 -6.367 501 2HG2 VAL 65 2HG2 VAL 65 -3.778 7.607 -4.772 502 3HG2 VAL 65 3HG2 VAL 65 -2.042 7.798 -5.027 503 H ALA 66 H ALA 66 -4.668 10.209 -8.512 504 HA ALA 66 HA ALA 66 -6.677 8.692 -9.607 505 1HB ALA 66 1HB ALA 66 -5.701 9.104 -11.684 506 2HB ALA 66 2HB ALA 66 -4.063 8.999 -11.041 507 3HB ALA 66 3HB ALA 66 -5.062 10.408 -10.682 508 H LYS 67 H LYS 67 -6.649 6.729 -10.874 509 HA LYS 67 HA LYS 67 -5.471 4.538 -9.457 510 1HB LYS 67 2HB LYS 67 -6.464 3.157 -11.296 511 2HB LYS 67 1HB LYS 67 -7.627 4.237 -10.530 512 1HG LYS 67 2HG LYS 67 -8.112 4.950 -12.624 513 2HG LYS 67 1HG LYS 67 -6.578 5.813 -12.554 514 1HD LYS 67 2HD LYS 67 -6.391 4.561 -14.534 515 2HD LYS 67 1HD LYS 67 -5.535 3.563 -13.358 516 1HE LYS 67 2HE LYS 67 -6.990 2.074 -14.536 517 2HE LYS 67 1HE LYS 67 -7.761 2.356 -12.975 518 1HZ LYS 67 1HZ LYS 67 -8.482 4.281 -14.988 519 2HZ LYS 67 2HZ LYS 67 -9.470 3.397 -13.926 520 3HZ LYS 67 3HZ LYS 67 -8.943 2.698 -15.381 521 H SER 68 H SER 68 -4.689 6.407 -12.260 522 HA SER 68 HA SER 68 -2.672 4.620 -13.285 523 1HB SER 68 2HB SER 68 -3.378 5.927 -15.018 524 2HB SER 68 1HB SER 68 -3.810 7.268 -13.960 525 HG SER 68 HG SER 68 -1.881 7.441 -15.442 526 H GLN 69 H GLN 69 -2.891 6.843 -10.742 527 HA GLN 69 HA GLN 69 -0.048 7.519 -10.692 528 1HB GLN 69 2HB GLN 69 -2.506 8.410 -9.267 529 2HB GLN 69 1HB GLN 69 -0.988 8.517 -8.379 530 1HG GLN 69 2HG GLN 69 -1.545 10.603 -9.653 531 2HG GLN 69 1HG GLN 69 -0.002 9.895 -10.117 532 1HE2 GLN 69 1HE2 GLN 69 -2.908 11.107 -11.375 533 2HE2 GLN 69 2HE2 GLN 69 -2.817 10.413 -12.921 534 H VAL 70 H VAL 70 -1.958 4.958 -9.753 535 HA VAL 70 HA VAL 70 -0.261 4.254 -7.444 536 HB VAL 70 HB VAL 70 -2.914 3.087 -8.341 537 1HG1 VAL 70 1HG1 VAL 70 -1.392 2.636 -5.759 538 2HG1 VAL 70 2HG1 VAL 70 -1.337 1.523 -7.126 539 3HG1 VAL 70 3HG1 VAL 70 -2.859 1.817 -6.290 540 1HG2 VAL 70 1HG2 VAL 70 -2.129 5.151 -6.293 541 2HG2 VAL 70 2HG2 VAL 70 -3.558 4.149 -6.040 542 3HG2 VAL 70 3HG2 VAL 70 -3.452 5.191 -7.457 543 H VAL 71 H VAL 71 1.537 3.396 -8.431 544 HA VAL 71 HA VAL 71 1.073 1.141 -10.293 545 HB VAL 71 HB VAL 71 3.639 2.703 -10.051 546 1HG1 VAL 71 1HG1 VAL 71 4.021 1.770 -12.294 547 2HG1 VAL 71 2HG1 VAL 71 2.444 0.983 -12.249 548 3HG1 VAL 71 3HG1 VAL 71 3.714 0.476 -11.136 549 1HG2 VAL 71 1HG2 VAL 71 1.173 3.232 -11.728 550 2HG2 VAL 71 2HG2 VAL 71 2.768 3.832 -12.183 551 3HG2 VAL 71 3HG2 VAL 71 2.029 4.356 -10.670 552 H ILE 72 H ILE 72 1.552 -0.796 -9.630 553 HA ILE 72 HA ILE 72 3.005 -1.255 -7.135 554 HB ILE 72 HB ILE 72 1.680 -3.212 -9.035 555 1HG1 ILE 72 2HG1 ILE 72 0.615 -2.077 -6.431 556 2HG1 ILE 72 1HG1 ILE 72 0.191 -1.418 -8.009 557 1HG2 ILE 72 1HG2 ILE 72 2.770 -3.428 -6.215 558 2HG2 ILE 72 2HG2 ILE 72 3.238 -4.376 -7.627 559 3HG2 ILE 72 3HG2 ILE 72 1.649 -4.606 -6.896 560 1HD1 ILE 72 1HD1 ILE 72 -0.694 -3.606 -8.705 561 2HD1 ILE 72 2HD1 ILE 72 -1.508 -3.038 -7.248 562 3HD1 ILE 72 3HD1 ILE 72 -0.266 -4.286 -7.134 563 H GLU 73 H GLU 73 5.113 -0.763 -7.643 564 HA GLU 73 HA GLU 73 6.428 -1.842 -9.962 565 1HB GLU 73 2HB GLU 73 7.198 -0.138 -7.641 566 2HB GLU 73 1HB GLU 73 8.491 -1.006 -8.473 567 1HG GLU 73 2HG GLU 73 6.449 0.502 -10.082 568 2HG GLU 73 1HG GLU 73 7.766 1.384 -9.315 569 H LYS 74 H LYS 74 5.403 -3.294 -7.185 570 HA LYS 74 HA LYS 74 6.772 -5.704 -7.600 571 1HB LYS 74 2HB LYS 74 8.545 -3.986 -6.500 572 2HB LYS 74 1HB LYS 74 7.792 -4.608 -5.035 573 1HG LYS 74 2HG LYS 74 8.260 -6.905 -5.725 574 2HG LYS 74 1HG LYS 74 8.942 -6.333 -7.248 575 1HD LYS 74 2HD LYS 74 10.643 -5.036 -5.927 576 2HD LYS 74 1HD LYS 74 10.017 -5.799 -4.465 577 1HE LYS 74 2HE LYS 74 10.616 -7.997 -5.274 578 2HE LYS 74 1HE LYS 74 11.056 -7.346 -6.854 579 1HZ LYS 74 1HZ LYS 74 12.979 -6.466 -6.064 580 2HZ LYS 74 2HZ LYS 74 12.844 -7.782 -4.996 581 3HZ LYS 74 3HZ LYS 74 12.376 -6.227 -4.496 582 H GLY 75 H GLY 75 5.275 -7.095 -6.908 583 1HA GLY 75 2HA GLY 75 4.419 -7.782 -4.518 584 2HA GLY 75 1HA GLY 75 3.467 -6.315 -4.740 585 H GLU 76 H GLU 76 3.546 -6.930 -7.710 586 HA GLU 76 HA GLU 76 1.263 -7.563 -8.632 587 1HB GLU 76 2HB GLU 76 3.739 -9.161 -9.224 588 2HB GLU 76 1HB GLU 76 2.219 -9.539 -10.032 589 1HG GLU 76 2HG GLU 76 3.496 -7.977 -11.402 590 2HG GLU 76 1HG GLU 76 2.053 -7.178 -10.781 591 H LEU 77 H LEU 77 3.049 -10.453 -7.544 592 HA LEU 77 HA LEU 77 0.467 -11.593 -6.655 593 1HB LEU 77 2HB LEU 77 1.479 -12.704 -8.670 594 2HB LEU 77 1HB LEU 77 2.850 -13.158 -7.659 595 HG LEU 77 HG LEU 77 0.222 -13.801 -6.477 596 1HD1 LEU 77 1HD1 LEU 77 -0.016 -15.848 -7.945 597 2HD1 LEU 77 2HD1 LEU 77 1.147 -15.111 -9.048 598 3HD1 LEU 77 3HD1 LEU 77 -0.401 -14.323 -8.746 599 1HD2 LEU 77 1HD2 LEU 77 1.381 -15.859 -5.896 600 2HD2 LEU 77 2HD2 LEU 77 2.471 -14.506 -5.600 601 3HD2 LEU 77 3HD2 LEU 77 2.672 -15.502 -7.042 602 H GLY 78 H GLY 78 3.963 -11.507 -6.028 603 1HA GLY 78 2HA GLY 78 4.111 -13.066 -3.748 604 2HA GLY 78 1HA GLY 78 5.135 -11.666 -4.045 605 H ARG 79 H ARG 79 4.202 -12.489 -1.466 606 HA ARG 79 HA ARG 79 1.941 -10.956 -0.652 607 1HB ARG 79 2HB ARG 79 4.197 -12.260 0.849 608 2HB ARG 79 1HB ARG 79 2.978 -11.289 1.677 609 1HG ARG 79 2HG ARG 79 1.224 -12.743 1.070 610 2HG ARG 79 1HG ARG 79 2.156 -13.472 -0.240 611 1HD ARG 79 2HD ARG 79 3.725 -14.387 1.514 612 2HD ARG 79 1HD ARG 79 2.581 -13.833 2.733 613 HE ARG 79 HE ARG 79 2.334 -16.194 1.163 614 1HH1 ARG 79 1HH2 ARG 79 0.002 -14.589 0.135 615 2HH1 ARG 79 2HH2 ARG 79 -1.256 -15.016 1.246 616 1HH2 ARG 79 1HH1 ARG 79 0.911 -16.309 3.621 617 2HH2 ARG 79 2HH1 ARG 79 -0.742 -15.985 3.218 618 H HIS 80 H HIS 80 5.160 -10.109 -1.408 619 HA HIS 80 HA HIS 80 5.403 -7.821 0.292 620 1HB HIS 80 2HB HIS 80 7.335 -8.941 -0.867 621 2HB HIS 80 1HB HIS 80 6.719 -8.315 -2.396 622 HD1 HIS 80 HD1 HIS 80 8.765 -7.380 0.504 623 HD2 HIS 80 HD2 HIS 80 6.627 -5.367 -2.449 624 HE1 HIS 80 HE1 HIS 80 9.582 -4.982 0.541 625 H LYS 81 H LYS 81 5.181 -5.574 -0.429 626 HA LYS 81 HA LYS 81 3.587 -5.170 -2.847 627 1HB LYS 81 2HB LYS 81 1.728 -5.450 -1.522 628 2HB LYS 81 1HB LYS 81 2.561 -4.950 -0.056 629 1HG LYS 81 2HG LYS 81 2.484 -2.602 -0.799 630 2HG LYS 81 1HG LYS 81 1.676 -3.096 -2.290 631 1HD LYS 81 2HD LYS 81 -0.180 -4.052 -0.955 632 2HD LYS 81 1HD LYS 81 0.616 -3.516 0.520 633 1HE LYS 81 2HE LYS 81 0.541 -1.159 -0.461 634 2HE LYS 81 1HE LYS 81 -0.554 -1.813 -1.680 635 1HZ LYS 81 1HZ LYS 81 -1.092 -2.355 1.151 636 2HZ LYS 81 2HZ LYS 81 -2.178 -2.221 -0.148 637 3HZ LYS 81 3HZ LYS 81 -1.480 -0.826 0.526 638 H GLN 82 H GLN 82 4.297 -3.429 -3.860 639 HA GLN 82 HA GLN 82 5.467 -1.234 -2.274 640 1HB GLN 82 2HB GLN 82 7.193 -2.770 -3.389 641 2HB GLN 82 1HB GLN 82 6.593 -2.136 -4.924 642 1HG GLN 82 2HG GLN 82 7.110 0.150 -4.206 643 2HG GLN 82 1HG GLN 82 7.641 -0.446 -2.634 644 1HE2 GLN 82 1HE2 GLN 82 8.365 -2.172 -5.657 645 2HE2 GLN 82 2HE2 GLN 82 10.036 -1.872 -5.625 646 H ILE 83 H ILE 83 3.932 0.260 -2.520 647 HA ILE 83 HA ILE 83 2.710 0.618 -5.172 648 HB ILE 83 HB ILE 83 1.873 1.963 -2.606 649 1HG1 ILE 83 2HG1 ILE 83 1.836 -0.430 -2.148 650 2HG1 ILE 83 1HG1 ILE 83 0.183 0.120 -2.411 651 1HG2 ILE 83 1HG2 ILE 83 0.193 1.158 -4.984 652 2HG2 ILE 83 2HG2 ILE 83 1.071 2.687 -4.950 653 3HG2 ILE 83 3HG2 ILE 83 -0.169 2.356 -3.741 654 1HD1 ILE 83 1HD1 ILE 83 1.960 -1.339 -4.377 655 2HD1 ILE 83 2HD1 ILE 83 0.419 -0.608 -4.817 656 3HD1 ILE 83 3HD1 ILE 83 0.468 -1.925 -3.649 657 H LYS 84 H LYS 84 3.163 2.280 -6.398 658 HA LYS 84 HA LYS 84 4.851 4.435 -5.296 659 1HB LYS 84 2HB LYS 84 5.945 3.402 -7.141 660 2HB LYS 84 1HB LYS 84 4.462 3.346 -8.088 661 1HG LYS 84 2HG LYS 84 5.961 5.142 -8.881 662 2HG LYS 84 1HG LYS 84 4.456 5.806 -8.252 663 1HD LYS 84 2HD LYS 84 6.392 5.552 -6.113 664 2HD LYS 84 1HD LYS 84 7.088 6.464 -7.449 665 1HE LYS 84 2HE LYS 84 4.306 7.219 -6.808 666 2HE LYS 84 1HE LYS 84 5.457 7.537 -5.514 667 1HZ LYS 84 1HZ LYS 84 6.149 8.289 -8.267 668 2HZ LYS 84 2HZ LYS 84 6.656 8.980 -6.800 669 3HZ LYS 84 3HZ LYS 84 5.089 9.275 -7.384 670 H ILE 85 H ILE 85 3.412 5.864 -4.465 671 HA ILE 85 HA ILE 85 1.008 6.560 -5.956 672 HB ILE 85 HB ILE 85 2.070 7.240 -3.216 673 1HG1 ILE 85 2HG1 ILE 85 -0.438 6.386 -2.851 674 2HG1 ILE 85 1HG1 ILE 85 -0.158 5.635 -4.421 675 1HG2 ILE 85 1HG2 ILE 85 -0.347 8.417 -3.183 676 2HG2 ILE 85 2HG2 ILE 85 0.060 8.702 -4.873 677 3HG2 ILE 85 3HG2 ILE 85 1.117 9.308 -3.597 678 1HD1 ILE 85 1HD1 ILE 85 0.451 4.210 -2.398 679 2HD1 ILE 85 2HD1 ILE 85 1.774 5.341 -2.109 680 3HD1 ILE 85 3HD1 ILE 85 1.724 4.403 -3.603 681 H ILE 86 H ILE 86 1.608 7.729 -7.728 682 HA ILE 86 HA ILE 86 3.453 9.963 -7.522 683 HB ILE 86 HB ILE 86 1.745 8.873 -9.773 684 1HG1 ILE 86 2HG1 ILE 86 4.739 9.090 -9.740 685 2HG1 ILE 86 1HG1 ILE 86 3.962 7.783 -8.853 686 1HG2 ILE 86 1HG2 ILE 86 1.835 11.129 -10.369 687 2HG2 ILE 86 2HG2 ILE 86 3.308 10.512 -11.113 688 3HG2 ILE 86 3HG2 ILE 86 3.393 11.381 -9.582 689 1HD1 ILE 86 1HD1 ILE 86 2.751 7.124 -10.925 690 2HD1 ILE 86 2HD1 ILE 86 4.501 7.032 -11.120 691 3HD1 ILE 86 3HD1 ILE 86 3.610 8.390 -11.804 692 H ASN 87 H ASN 87 2.895 12.152 -7.686 693 HA ASN 87 HA ASN 87 1.620 14.007 -7.206 694 1HB ASN 87 2HB ASN 87 0.734 13.057 -9.515 695 2HB ASN 87 1HB ASN 87 -0.721 12.741 -8.580 696 1HD2 ASN 87 1HD2 ASN 87 0.843 15.138 -10.395 697 2HD2 ASN 87 2HD2 ASN 87 -0.010 16.482 -9.805 698 HA PRO 88 HA PRO 88 -0.660 11.820 -3.817 699 1HB PRO 88 2HB PRO 88 0.823 13.382 -1.896 700 2HB PRO 88 1HB PRO 88 0.885 11.636 -2.176 701 1HG PRO 88 2HG PRO 88 2.919 13.427 -2.732 702 2HG PRO 88 1HG PRO 88 2.772 11.793 -3.393 703 1HD PRO 88 2HD PRO 88 2.178 14.409 -4.690 704 2HD PRO 88 1HD PRO 88 2.717 12.880 -5.419 705 H GLN 89 H GLN 89 -2.568 12.600 -3.163 706 HA GLN 89 HA GLN 89 -2.921 15.534 -2.956 707 1HB GLN 89 2HB GLN 89 -5.040 13.457 -3.565 708 2HB GLN 89 1HB GLN 89 -5.234 15.209 -3.595 709 1HG GLN 89 2HG GLN 89 -3.260 13.736 -5.355 710 2HG GLN 89 1HG GLN 89 -4.900 14.130 -5.865 711 1HE2 GLN 89 1HE2 GLN 89 -5.403 16.657 -5.248 712 2HE2 GLN 89 2HE2 GLN 89 -4.196 17.730 -5.770 713 H GLN 90 H GLN 90 -3.299 12.435 -1.442 714 HA GLN 90 HA GLN 90 -4.026 13.757 1.068 715 1HB GLN 90 2HB GLN 90 -6.182 13.108 0.141 716 2HB GLN 90 1HB GLN 90 -5.596 11.469 -0.145 717 1HG GLN 90 2HG GLN 90 -5.471 10.982 2.165 718 2HG GLN 90 1HG GLN 90 -5.533 12.685 2.616 719 1HE2 GLN 90 1HE2 GLN 90 -7.479 9.896 1.740 720 2HE2 GLN 90 2HE2 GLN 90 -8.986 10.633 1.998 721 H ILE 91 H ILE 91 -2.532 13.142 2.443 722 HA ILE 91 HA ILE 91 -1.437 10.408 2.271 723 HB ILE 91 HB ILE 91 0.234 12.152 1.877 724 1HG1 ILE 91 2HG1 ILE 91 0.861 11.284 4.665 725 2HG1 ILE 91 1HG1 ILE 91 0.533 10.021 3.478 726 1HG2 ILE 91 1HG2 ILE 91 0.579 13.978 3.260 727 2HG2 ILE 91 2HG2 ILE 91 -0.062 13.158 4.684 728 3HG2 ILE 91 3HG2 ILE 91 -1.162 13.775 3.451 729 1HD1 ILE 91 1HD1 ILE 91 2.411 12.255 2.769 730 2HD1 ILE 91 2HD1 ILE 91 2.354 10.606 2.147 731 3HD1 ILE 91 3HD1 ILE 91 2.987 10.917 3.764 732 HA PRO 92 HA PRO 92 -3.726 10.016 6.110 733 1HB PRO 92 2HB PRO 92 -2.781 7.304 6.338 734 2HB PRO 92 1HB PRO 92 -4.397 7.872 5.895 735 1HG PRO 92 2HG PRO 92 -2.528 6.638 4.218 736 2HG PRO 92 1HG PRO 92 -4.035 7.425 3.739 737 1HD PRO 92 2HD PRO 92 -1.274 8.371 3.421 738 2HD PRO 92 1HD PRO 92 -2.758 8.946 2.632 739 HA PRO 93 HA PRO 93 -0.607 10.903 9.101 740 1HB PRO 93 2HB PRO 93 -1.897 9.454 11.219 741 2HB PRO 93 1HB PRO 93 -1.883 11.201 10.938 742 1HG PRO 93 2HG PRO 93 -3.986 9.284 10.440 743 2HG PRO 93 1HG PRO 93 -4.050 11.050 10.421 744 1HD PRO 93 2HD PRO 93 -4.221 9.399 8.171 745 2HD PRO 93 1HD PRO 93 -3.852 11.134 8.148 746 H GLU 94 H GLU 94 -1.631 7.678 8.399 747 HA GLU 94 HA GLU 94 0.132 6.190 10.013 748 1HB GLU 94 2HB GLU 94 -1.839 5.478 8.403 749 2HB GLU 94 1HB GLU 94 -0.528 5.295 7.240 750 1HG GLU 94 2HG GLU 94 -0.623 3.167 8.234 751 2HG GLU 94 1HG GLU 94 0.657 3.959 9.147 752 H VAL 95 H VAL 95 0.452 7.140 6.599 753 HA VAL 95 HA VAL 95 3.250 6.403 6.532 754 HB VAL 95 HB VAL 95 1.860 8.080 4.448 755 1HG1 VAL 95 1HG1 VAL 95 3.856 5.818 4.174 756 2HG1 VAL 95 2HG1 VAL 95 4.343 7.501 4.377 757 3HG1 VAL 95 3HG1 VAL 95 3.411 7.017 2.959 758 1HG2 VAL 95 1HG2 VAL 95 1.613 5.082 4.878 759 2HG2 VAL 95 2HG2 VAL 95 1.123 5.923 3.409 760 3HG2 VAL 95 3HG2 VAL 95 0.302 6.262 4.929 761 H ALA 96 H ALA 96 1.350 9.225 7.153 762 HA ALA 96 HA ALA 96 3.447 11.144 6.688 763 1HB ALA 96 1HB ALA 96 1.829 12.674 6.997 764 2HB ALA 96 2HB ALA 96 1.355 11.982 8.547 765 3HB ALA 96 3HB ALA 96 0.713 11.310 7.048 766 H ALA 97 H ALA 97 2.049 9.606 9.565 767 HA ALA 97 HA ALA 97 3.375 10.929 11.587 768 1HB ALA 97 1HB ALA 97 1.696 9.308 12.118 769 2HB ALA 97 2HB ALA 97 3.201 8.762 12.856 770 3HB ALA 97 3HB ALA 97 2.624 8.014 11.366 771 H LEU 98 H LEU 98 4.734 8.851 9.200 772 HA LEU 98 HA LEU 98 7.215 8.510 10.754 773 1HB LEU 98 2HB LEU 98 6.353 7.229 8.146 774 2HB LEU 98 1HB LEU 98 7.822 6.851 9.049 775 HG LEU 98 HG LEU 98 4.978 6.492 10.056 776 1HD1 LEU 98 1HD1 LEU 98 5.615 4.819 8.375 777 2HD1 LEU 98 2HD1 LEU 98 5.558 4.079 9.975 778 3HD1 LEU 98 3HD1 LEU 98 7.112 4.491 9.249 779 1HD2 LEU 98 1HD2 LEU 98 6.158 6.871 12.023 780 2HD2 LEU 98 2HD2 LEU 98 7.680 6.293 11.344 781 3HD2 LEU 98 3HD2 LEU 98 6.436 5.141 11.829 782 H ILE 99 H ILE 99 5.857 10.148 8.007 783 HA ILE 99 HA ILE 99 8.480 10.947 6.989 784 HB ILE 99 HB ILE 99 5.659 11.463 6.017 785 1HG1 ILE 99 2HG1 ILE 99 7.935 9.866 4.797 786 2HG1 ILE 99 1HG1 ILE 99 6.650 9.152 5.770 787 1HG2 ILE 99 1HG2 ILE 99 8.339 12.379 4.933 788 2HG2 ILE 99 2HG2 ILE 99 6.962 13.386 5.384 789 3HG2 ILE 99 3HG2 ILE 99 6.866 12.348 3.962 790 1HD1 ILE 99 1HD1 ILE 99 6.085 10.830 3.314 791 2HD1 ILE 99 2HD1 ILE 99 4.969 9.777 4.187 792 3HD1 ILE 99 3HD1 ILE 99 6.287 9.079 3.246 793 H ASN 100 H ASN 100 5.970 12.158 9.045 794 HA ASN 100 HA ASN 100 6.905 14.928 8.795 795 1HB ASN 100 2HB ASN 100 5.001 15.535 10.100 796 2HB ASN 100 1HB ASN 100 4.449 14.359 8.914 797 1HD2 ASN 100 1HD2 ASN 100 5.826 12.152 10.571 798 2HD2 ASN 100 2HD2 ASN 100 4.760 11.884 11.861 799 H LEU 101 H LEU 101 7.190 12.178 10.862 800 HA LEU 101 HA LEU 101 8.288 11.790 12.838 801 1HB LEU 101 2HB LEU 101 10.146 12.773 11.392 802 2HB LEU 101 1HB LEU 101 9.860 14.298 12.229 803 HG LEU 101 HG LEU 101 10.008 12.573 14.348 804 1HD1 LEU 101 1HD1 LEU 101 11.608 10.895 14.020 805 2HD1 LEU 101 2HD1 LEU 101 12.240 11.646 12.554 806 3HD1 LEU 101 3HD1 LEU 101 10.681 10.821 12.521 807 1HD2 LEU 101 1HD2 LEU 101 11.212 14.663 14.259 808 2HD2 LEU 101 2HD2 LEU 101 12.224 14.086 12.934 809 3HD2 LEU 101 3HD2 LEU 101 12.398 13.387 14.544 810 H GLU 102 H GLU 102 6.093 12.513 13.704 811 HA GLU 102 HA GLU 102 6.097 15.084 15.080 812 1HB GLU 102 2HB GLU 102 3.867 13.964 16.015 813 2HB GLU 102 1HB GLU 102 3.932 14.697 14.415 814 1HG GLU 102 2HG GLU 102 2.873 12.437 14.399 815 2HG GLU 102 1HG GLU 102 4.309 12.522 13.386 816 H HIS 103 H HIS 103 7.099 11.898 15.696 817 HA HIS 103 HA HIS 103 6.595 11.742 18.494 818 1HB HIS 103 2HB HIS 103 8.536 10.342 16.657 819 2HB HIS 103 1HB HIS 103 8.494 10.026 18.392 820 HD1 HIS 103 HD1 HIS 103 7.149 8.710 15.402 821 HD2 HIS 103 HD2 HIS 103 5.513 9.519 19.150 822 HE1 HIS 103 HE1 HIS 103 5.020 7.348 15.563 823 H HIS 104 H HIS 104 7.328 13.217 19.863 824 HA HIS 104 HA HIS 104 10.159 14.045 19.655 825 1HB HIS 104 2HB HIS 104 9.492 16.243 20.553 826 2HB HIS 104 1HB HIS 104 8.693 15.907 19.020 827 HD1 HIS 104 HD1 HIS 104 6.927 13.786 21.159 828 HD2 HIS 104 HD2 HIS 104 6.970 17.934 20.746 829 HE1 HIS 104 HE1 HIS 104 4.762 14.627 22.167 830 H HIS 105 H HIS 105 9.262 11.803 21.128 831 HA HIS 105 HA HIS 105 8.715 12.338 23.840 832 1HB HIS 105 2HB HIS 105 9.476 10.029 22.234 833 2HB HIS 105 1HB HIS 105 10.227 9.994 23.827 834 HD1 HIS 105 HD1 HIS 105 7.474 8.539 22.435 835 HD2 HIS 105 HD2 HIS 105 7.815 11.112 25.697 836 HE1 HIS 105 HE1 HIS 105 5.393 8.197 23.838 837 H HIS 106 H HIS 106 9.972 13.922 24.732 838 HA HIS 106 HA HIS 106 12.854 13.307 25.012 839 1HB HIS 106 2HB HIS 106 13.255 15.755 25.110 840 2HB HIS 106 1HB HIS 106 12.586 15.251 23.560 841 HD1 HIS 106 HD1 HIS 106 10.350 16.229 22.880 842 HD2 HIS 106 HD2 HIS 106 11.290 17.041 26.858 843 HE1 HIS 106 HE1 HIS 106 8.604 17.866 23.709 844 H HIS 107 H HIS 107 13.769 14.616 26.950 845 HA HIS 107 HA HIS 107 11.870 14.891 29.156 846 1HB HIS 107 2HB HIS 107 13.482 13.427 30.570 847 2HB HIS 107 1HB HIS 107 12.320 12.622 29.517 848 HD1 HIS 107 HD1 HIS 107 15.870 13.992 29.114 849 HD2 HIS 107 HD2 HIS 107 13.573 10.696 28.003 850 HE1 HIS 107 HE1 HIS 107 17.401 12.464 27.800 851 H HIS 108 H HIS 108 12.596 16.203 30.811 852 HA HIS 108 HA HIS 108 14.278 18.299 30.295 853 1HB HIS 108 2HB HIS 108 13.452 16.981 32.867 854 2HB HIS 108 1HB HIS 108 14.572 18.342 32.886 855 HD1 HIS 108 HD1 HIS 108 11.343 17.653 30.948 856 HD2 HIS 108 HD2 HIS 108 13.091 20.625 33.291 857 HE1 HIS 108 HE1 HIS 108 9.686 19.567 31.031 Start of MODEL 7 1 HA MET 1 HA MET 1 24.106 4.126 3.790 2 1HB MET 1 2HB MET 1 23.370 6.670 3.632 3 2HB MET 1 1HB MET 1 21.878 6.056 4.348 4 1HG MET 1 2HG MET 1 23.176 6.599 6.232 5 2HG MET 1 1HG MET 1 23.455 4.867 6.049 6 1HE MET 1 1HE MET 1 26.952 5.367 7.050 7 2HE MET 1 2HE MET 1 25.933 4.058 6.457 8 3HE MET 1 3HE MET 1 25.284 5.212 7.620 9 H ASP 2 H ASP 2 23.378 2.376 4.824 10 HA ASP 2 HA ASP 2 21.068 0.977 4.164 11 1HB ASP 2 2HB ASP 2 23.138 0.183 5.461 12 2HB ASP 2 1HB ASP 2 22.345 0.835 6.892 13 H GLY 3 H GLY 3 18.980 1.244 4.622 14 1HA GLY 3 2HA GLY 3 18.148 3.365 6.434 15 2HA GLY 3 1HA GLY 3 17.108 2.436 5.359 16 H VAL 4 H VAL 4 18.154 -0.142 6.282 17 HA VAL 4 HA VAL 4 17.705 -1.766 7.835 18 HB VAL 4 HB VAL 4 17.598 0.463 9.884 19 1HG1 VAL 4 1HG1 VAL 4 18.334 -1.329 11.411 20 2HG1 VAL 4 2HG1 VAL 4 18.314 -2.480 10.075 21 3HG1 VAL 4 3HG1 VAL 4 16.808 -1.754 10.636 22 1HG2 VAL 4 1HG2 VAL 4 19.679 0.636 8.574 23 2HG2 VAL 4 2HG2 VAL 4 19.987 -1.084 8.823 24 3HG2 VAL 4 3HG2 VAL 4 20.019 0.025 10.194 25 H MET 5 H MET 5 15.875 0.966 9.196 26 HA MET 5 HA MET 5 13.450 -0.666 9.214 27 1HB MET 5 2HB MET 5 12.623 1.585 10.345 28 2HB MET 5 1HB MET 5 13.520 0.374 11.267 29 1HG MET 5 2HG MET 5 15.082 2.464 9.796 30 2HG MET 5 1HG MET 5 14.250 2.942 11.273 31 1HE MET 5 1HE MET 5 16.433 3.623 12.324 32 2HE MET 5 2HE MET 5 17.059 2.494 13.525 33 3HE MET 5 3HE MET 5 15.334 2.844 13.472 34 H SER 6 H SER 6 12.670 -0.638 7.144 35 HA SER 6 HA SER 6 11.958 2.003 6.109 36 1HB SER 6 2HB SER 6 13.805 0.763 4.829 37 2HB SER 6 1HB SER 6 12.554 -0.379 4.346 38 HG SER 6 HG SER 6 11.643 1.123 3.131 39 H ALA 7 H ALA 7 10.440 1.229 4.041 40 HA ALA 7 HA ALA 7 8.545 -0.667 4.015 41 1HB ALA 7 1HB ALA 7 8.025 1.216 6.300 42 2HB ALA 7 2HB ALA 7 7.779 -0.530 6.215 43 3HB ALA 7 3HB ALA 7 6.662 0.557 5.394 44 H VAL 8 H VAL 8 9.393 2.643 3.822 45 HA VAL 8 HA VAL 8 7.777 2.919 1.425 46 HB VAL 8 HB VAL 8 6.732 5.003 2.096 47 1HG1 VAL 8 1HG1 VAL 8 6.374 2.955 4.305 48 2HG1 VAL 8 2HG1 VAL 8 5.580 2.891 2.732 49 3HG1 VAL 8 3HG1 VAL 8 5.224 4.208 3.846 50 1HG2 VAL 8 1HG2 VAL 8 8.424 4.646 4.575 51 2HG2 VAL 8 2HG2 VAL 8 6.981 5.661 4.588 52 3HG2 VAL 8 3HG2 VAL 8 8.320 6.048 3.508 53 H THR 9 H THR 9 8.295 5.029 0.318 54 HA THR 9 HA THR 9 10.918 6.128 0.971 55 HB THR 9 HB THR 9 10.337 4.390 -1.410 56 HG1 THR 9 HG1 THR 9 11.482 3.793 0.625 57 1HG2 THR 9 1HG2 THR 9 11.207 6.153 -2.639 58 2HG2 THR 9 2HG2 THR 9 12.707 5.389 -2.122 59 3HG2 THR 9 3HG2 THR 9 12.102 6.806 -1.267 60 H VAL 10 H VAL 10 10.749 8.237 0.733 61 HA VAL 10 HA VAL 10 8.661 9.378 -0.957 62 HB VAL 10 HB VAL 10 9.618 11.550 0.147 63 1HG1 VAL 10 1HG1 VAL 10 7.435 10.792 0.717 64 2HG1 VAL 10 2HG1 VAL 10 8.280 10.964 2.254 65 3HG1 VAL 10 3HG1 VAL 10 8.060 9.365 1.542 66 1HG2 VAL 10 1HG2 VAL 10 11.612 10.068 1.019 67 2HG2 VAL 10 2HG2 VAL 10 10.470 9.607 2.284 68 3HG2 VAL 10 3HG2 VAL 10 10.922 11.300 2.077 69 H ASN 11 H ASN 11 9.377 9.235 -3.016 70 HA ASN 11 HA ASN 11 12.066 10.027 -3.768 71 1HB ASN 11 2HB ASN 11 9.664 9.322 -5.476 72 2HB ASN 11 1HB ASN 11 11.318 9.520 -6.056 73 1HD2 ASN 11 1HD2 ASN 11 12.953 7.929 -5.219 74 2HD2 ASN 11 2HD2 ASN 11 12.430 6.393 -4.721 75 H ASP 12 H ASP 12 11.555 11.327 -6.181 76 HA ASP 12 HA ASP 12 10.662 13.970 -5.221 77 1HB ASP 12 2HB ASP 12 12.998 13.596 -6.230 78 2HB ASP 12 1HB ASP 12 12.174 13.375 -7.769 79 H ASP 13 H ASP 13 9.288 11.445 -6.391 80 HA ASP 13 HA ASP 13 7.666 12.827 -8.439 81 1HB ASP 13 2HB ASP 13 9.015 10.954 -9.310 82 2HB ASP 13 1HB ASP 13 8.290 9.878 -8.123 83 H GLY 14 H GLY 14 7.758 11.064 -5.464 84 1HA GLY 14 2HA GLY 14 5.344 11.864 -4.448 85 2HA GLY 14 1HA GLY 14 4.965 10.395 -5.338 86 H LEU 15 H LEU 15 4.850 8.699 -4.031 87 HA LEU 15 HA LEU 15 7.025 8.159 -2.161 88 1HB LEU 15 2HB LEU 15 5.211 7.621 -0.384 89 2HB LEU 15 1HB LEU 15 5.695 9.301 -0.613 90 HG LEU 15 HG LEU 15 3.589 8.654 -2.473 91 1HD1 LEU 15 1HD1 LEU 15 2.893 8.196 0.441 92 2HD1 LEU 15 2HD1 LEU 15 3.053 6.910 -0.756 93 3HD1 LEU 15 3HD1 LEU 15 1.791 8.129 -0.935 94 1HD2 LEU 15 1HD2 LEU 15 4.203 10.912 -1.658 95 2HD2 LEU 15 2HD2 LEU 15 3.676 10.465 -0.036 96 3HD2 LEU 15 3HD2 LEU 15 2.503 10.561 -1.350 97 H VAL 16 H VAL 16 7.164 5.998 -1.514 98 HA VAL 16 HA VAL 16 5.566 4.132 -3.155 99 HB VAL 16 HB VAL 16 8.131 3.372 -1.783 100 1HG1 VAL 16 1HG1 VAL 16 6.753 2.529 -4.353 101 2HG1 VAL 16 2HG1 VAL 16 6.757 1.627 -2.839 102 3HG1 VAL 16 3HG1 VAL 16 8.258 1.848 -3.739 103 1HG2 VAL 16 1HG2 VAL 16 9.275 3.996 -3.967 104 2HG2 VAL 16 2HG2 VAL 16 8.788 5.361 -2.965 105 3HG2 VAL 16 3HG2 VAL 16 7.827 4.917 -4.375 106 H LEU 17 H LEU 17 4.544 2.398 -2.192 107 HA LEU 17 HA LEU 17 4.490 2.412 0.769 108 1HB LEU 17 2HB LEU 17 2.373 2.300 -1.271 109 2HB LEU 17 1HB LEU 17 2.220 1.056 -0.034 110 HG LEU 17 HG LEU 17 1.040 3.220 0.511 111 1HD1 LEU 17 1HD1 LEU 17 2.697 1.579 2.150 112 2HD1 LEU 17 2HD1 LEU 17 1.275 2.507 2.627 113 3HD1 LEU 17 3HD1 LEU 17 2.875 3.242 2.714 114 1HD2 LEU 17 1HD2 LEU 17 3.260 4.451 -0.442 115 2HD2 LEU 17 2HD2 LEU 17 3.631 4.459 1.282 116 3HD2 LEU 17 3HD2 LEU 17 2.151 5.215 0.695 117 H ARG 18 H ARG 18 6.072 0.909 1.180 118 HA ARG 18 HA ARG 18 5.850 -1.728 -0.115 119 1HB ARG 18 2HB ARG 18 8.151 -0.937 1.634 120 2HB ARG 18 1HB ARG 18 8.124 -2.002 0.233 121 1HG ARG 18 2HG ARG 18 7.722 -0.044 -1.238 122 2HG ARG 18 1HG ARG 18 7.822 1.011 0.171 123 1HD ARG 18 2HD ARG 18 9.976 0.967 -0.994 124 2HD ARG 18 1HD ARG 18 10.127 0.223 0.595 125 HE ARG 18 HE ARG 18 10.369 -1.889 -0.454 126 1HH1 ARG 18 1HH2 ARG 18 8.847 0.001 -2.805 127 2HH1 ARG 18 2HH2 ARG 18 9.765 -0.609 -4.142 128 1HH2 ARG 18 1HH1 ARG 18 11.994 -2.375 -2.159 129 2HH2 ARG 18 2HH1 ARG 18 11.552 -1.938 -3.777 130 H LEU 19 H LEU 19 4.611 -3.112 1.004 131 HA LEU 19 HA LEU 19 5.217 -3.529 3.829 132 1HB LEU 19 2HB LEU 19 2.916 -3.383 4.563 133 2HB LEU 19 1HB LEU 19 3.370 -1.867 3.795 134 HG LEU 19 HG LEU 19 2.398 -3.226 1.645 135 1HD1 LEU 19 1HD1 LEU 19 1.639 -5.176 2.816 136 2HD1 LEU 19 2HD1 LEU 19 0.196 -4.214 2.503 137 3HD1 LEU 19 3HD1 LEU 19 0.929 -4.209 4.108 138 1HD2 LEU 19 1HD2 LEU 19 0.968 -1.505 3.688 139 2HD2 LEU 19 2HD2 LEU 19 0.234 -1.961 2.150 140 3HD2 LEU 19 3HD2 LEU 19 1.707 -0.990 2.171 141 H TYR 20 H TYR 20 3.634 -5.365 4.639 142 HA TYR 20 HA TYR 20 3.863 -7.570 2.684 143 1HB TYR 20 2HB TYR 20 5.155 -7.549 4.908 144 2HB TYR 20 1HB TYR 20 3.601 -7.827 5.677 145 HD1 TYR 20 HD1 TYR 20 5.487 -9.164 2.701 146 HD2 TYR 20 HD2 TYR 20 3.142 -10.013 6.197 147 HE1 TYR 20 HE1 TYR 20 5.741 -11.596 2.282 148 HE2 TYR 20 HE2 TYR 20 3.386 -12.437 5.784 149 HH TYR 20 HH TYR 20 5.227 -13.906 4.506 150 H ILE 21 H ILE 21 1.979 -8.083 1.780 151 HA ILE 21 HA ILE 21 -0.548 -7.436 3.045 152 HB ILE 21 HB ILE 21 0.183 -8.689 0.391 153 1HG1 ILE 21 2HG1 ILE 21 0.484 -6.156 0.976 154 2HG1 ILE 21 1HG1 ILE 21 -0.309 -6.590 -0.536 155 1HG2 ILE 21 1HG2 ILE 21 -2.456 -8.385 1.767 156 2HG2 ILE 21 2HG2 ILE 21 -1.899 -9.653 0.676 157 3HG2 ILE 21 3HG2 ILE 21 -2.384 -8.086 0.032 158 1HD1 ILE 21 1HD1 ILE 21 -2.446 -6.059 0.286 159 2HD1 ILE 21 2HD1 ILE 21 -1.433 -4.796 0.982 160 3HD1 ILE 21 3HD1 ILE 21 -1.932 -6.169 1.969 161 H GLN 22 H GLN 22 -1.885 -8.790 4.057 162 HA GLN 22 HA GLN 22 -1.252 -11.686 4.084 163 1HB GLN 22 2HB GLN 22 -1.230 -9.885 6.248 164 2HB GLN 22 1HB GLN 22 -2.737 -10.781 6.412 165 1HG GLN 22 2HG GLN 22 0.021 -12.001 6.087 166 2HG GLN 22 1HG GLN 22 -0.904 -11.929 7.588 167 1HE2 GLN 22 1HE2 GLN 22 -0.347 -13.806 4.766 168 2HE2 GLN 22 2HE2 GLN 22 -1.634 -14.894 4.964 169 HA PRO 23 HA PRO 23 -5.453 -11.087 2.339 170 1HB PRO 23 2HB PRO 23 -5.070 -13.498 0.819 171 2HB PRO 23 1HB PRO 23 -5.165 -11.831 0.237 172 1HG PRO 23 2HG PRO 23 -2.902 -13.445 0.255 173 2HG PRO 23 1HG PRO 23 -2.947 -11.695 0.003 174 1HD PRO 23 2HD PRO 23 -2.106 -13.215 2.397 175 2HD PRO 23 1HD PRO 23 -1.692 -11.561 1.903 176 H LYS 24 H LYS 24 -7.386 -12.264 2.495 177 HA LYS 24 HA LYS 24 -8.912 -13.714 3.398 178 1HB LYS 24 2HB LYS 24 -6.562 -15.542 3.947 179 2HB LYS 24 1HB LYS 24 -8.266 -15.987 3.953 180 1HG LYS 24 2HG LYS 24 -8.445 -15.465 1.567 181 2HG LYS 24 1HG LYS 24 -6.763 -14.931 1.538 182 1HD LYS 24 2HD LYS 24 -7.580 -17.717 2.400 183 2HD LYS 24 1HD LYS 24 -7.169 -17.320 0.731 184 1HE LYS 24 2HE LYS 24 -5.056 -17.876 1.415 185 2HE LYS 24 1HE LYS 24 -5.042 -16.220 2.018 186 1HZ LYS 24 1HZ LYS 24 -5.362 -16.892 4.158 187 2HZ LYS 24 2HZ LYS 24 -4.476 -18.221 3.576 188 3HZ LYS 24 3HZ LYS 24 -6.165 -18.322 3.722 189 H ALA 25 H ALA 25 -8.189 -11.650 4.988 190 HA ALA 25 HA ALA 25 -7.577 -12.751 7.640 191 1HB ALA 25 1HB ALA 25 -6.849 -10.656 8.190 192 2HB ALA 25 2HB ALA 25 -8.109 -9.854 7.252 193 3HB ALA 25 3HB ALA 25 -6.687 -10.510 6.438 194 H SER 26 H SER 26 -9.816 -10.312 6.385 195 HA SER 26 HA SER 26 -12.278 -11.318 6.766 196 1HB SER 26 2HB SER 26 -11.041 -10.778 9.424 197 2HB SER 26 1HB SER 26 -12.700 -10.236 9.194 198 HG SER 26 HG SER 26 -11.787 -12.843 8.550 199 H ARG 27 H ARG 27 -10.060 -8.745 7.228 200 HA ARG 27 HA ARG 27 -11.647 -6.860 5.806 201 1HB ARG 27 2HB ARG 27 -12.855 -6.724 7.956 202 2HB ARG 27 1HB ARG 27 -11.343 -6.348 8.780 203 1HG ARG 27 2HG ARG 27 -11.095 -4.313 7.401 204 2HG ARG 27 1HG ARG 27 -12.604 -4.690 6.569 205 1HD ARG 27 2HD ARG 27 -13.120 -3.084 8.289 206 2HD ARG 27 1HD ARG 27 -13.755 -4.640 8.815 207 HE ARG 27 HE ARG 27 -11.093 -4.210 9.787 208 1HH1 ARG 27 1HH1 ARG 27 -14.349 -4.502 10.630 209 2HH1 ARG 27 2HH1 ARG 27 -14.213 -3.687 12.152 210 1HH2 ARG 27 1HH2 ARG 27 -10.940 -2.675 11.618 211 2HH2 ARG 27 2HH2 ARG 27 -12.282 -2.657 12.712 212 H ASP 28 H ASP 28 -10.420 -5.131 5.152 213 HA ASP 28 HA ASP 28 -7.616 -5.365 5.191 214 1HB ASP 28 2HB ASP 28 -8.705 -2.683 4.754 215 2HB ASP 28 1HB ASP 28 -7.630 -3.624 3.743 216 H SER 29 H SER 29 -6.910 -5.492 7.263 217 HA SER 29 HA SER 29 -7.145 -3.039 8.904 218 1HB SER 29 2HB SER 29 -7.193 -4.379 10.884 219 2HB SER 29 1HB SER 29 -8.390 -5.041 9.778 220 HG SER 29 HG SER 29 -6.223 -6.271 9.144 221 H ILE 30 H ILE 30 -5.341 -2.076 9.508 222 HA ILE 30 HA ILE 30 -2.754 -3.370 8.967 223 HB ILE 30 HB ILE 30 -2.227 -0.781 9.855 224 1HG1 ILE 30 2HG1 ILE 30 -4.774 -0.837 8.201 225 2HG1 ILE 30 1HG1 ILE 30 -4.583 -0.164 9.820 226 1HG2 ILE 30 1HG2 ILE 30 -1.293 -2.078 7.892 227 2HG2 ILE 30 2HG2 ILE 30 -1.615 -0.379 7.556 228 3HG2 ILE 30 3HG2 ILE 30 -2.733 -1.615 6.985 229 1HD1 ILE 30 1HD1 ILE 30 -3.591 0.900 7.191 230 2HD1 ILE 30 2HD1 ILE 30 -2.720 1.304 8.673 231 3HD1 ILE 30 3HD1 ILE 30 -4.417 1.751 8.496 232 H VAL 31 H VAL 31 -3.575 -4.742 10.833 233 HA VAL 31 HA VAL 31 -3.100 -3.606 13.485 234 HB VAL 31 HB VAL 31 -4.182 -6.289 12.590 235 1HG1 VAL 31 1HG1 VAL 31 -3.448 -5.192 15.265 236 2HG1 VAL 31 2HG1 VAL 31 -3.455 -6.862 14.695 237 3HG1 VAL 31 3HG1 VAL 31 -4.969 -6.080 15.150 238 1HG2 VAL 31 1HG2 VAL 31 -5.724 -4.180 14.069 239 2HG2 VAL 31 2HG2 VAL 31 -6.308 -5.406 12.945 240 3HG2 VAL 31 3HG2 VAL 31 -5.468 -3.981 12.336 241 H GLY 32 H GLY 32 -0.896 -4.346 11.406 242 1HA GLY 32 2HA GLY 32 0.779 -5.775 13.360 243 2HA GLY 32 1HA GLY 32 0.640 -6.443 11.735 244 H LEU 33 H LEU 33 0.564 -3.062 12.441 245 HA LEU 33 HA LEU 33 2.609 -2.411 10.593 246 1HB LEU 33 2HB LEU 33 1.274 -0.847 12.806 247 2HB LEU 33 1HB LEU 33 2.350 -0.131 11.603 248 HG LEU 33 HG LEU 33 -0.301 -1.509 11.131 249 1HD1 LEU 33 1HD1 LEU 33 -0.705 0.745 11.657 250 2HD1 LEU 33 2HD1 LEU 33 -0.620 0.765 9.895 251 3HD1 LEU 33 3HD1 LEU 33 0.764 1.297 10.852 252 1HD2 LEU 33 1HD2 LEU 33 0.902 -2.303 9.300 253 2HD2 LEU 33 2HD2 LEU 33 1.989 -0.913 9.287 254 3HD2 LEU 33 3HD2 LEU 33 0.345 -0.750 8.673 255 H HIS 34 H HIS 34 4.737 -2.431 10.845 256 HA HIS 34 HA HIS 34 5.808 -2.654 13.583 257 1HB HIS 34 2HB HIS 34 6.121 -4.631 12.096 258 2HB HIS 34 1HB HIS 34 7.050 -3.622 11.000 259 HD1 HIS 34 HD1 HIS 34 9.499 -3.844 11.381 260 HD2 HIS 34 HD2 HIS 34 7.362 -4.308 14.929 261 HE1 HIS 34 HE1 HIS 34 11.211 -4.286 13.195 262 H GLY 35 H GLY 35 7.884 -1.648 14.013 263 1HA GLY 35 2HA GLY 35 8.022 1.026 13.039 264 2HA GLY 35 1HA GLY 35 9.214 0.239 14.072 265 H ASP 36 H ASP 36 9.498 -1.989 12.133 266 HA ASP 36 HA ASP 36 11.255 -0.616 10.190 267 1HB ASP 36 2HB ASP 36 11.415 -3.498 11.089 268 2HB ASP 36 1HB ASP 36 12.590 -2.619 10.123 269 H GLU 37 H GLU 37 8.406 -2.480 10.494 270 HA GLU 37 HA GLU 37 8.314 -2.798 7.570 271 1HB GLU 37 2HB GLU 37 7.321 -5.063 9.270 272 2HB GLU 37 1HB GLU 37 7.806 -5.065 7.575 273 1HG GLU 37 2HG GLU 37 10.174 -4.539 8.405 274 2HG GLU 37 1HG GLU 37 9.590 -4.950 10.015 275 H VAL 38 H VAL 38 5.980 -3.857 7.105 276 HA VAL 38 HA VAL 38 3.932 -2.630 8.800 277 HB VAL 38 HB VAL 38 4.340 -2.004 5.867 278 1HG1 VAL 38 1HG1 VAL 38 1.891 -2.326 7.293 279 2HG1 VAL 38 2HG1 VAL 38 2.117 -1.684 5.667 280 3HG1 VAL 38 3HG1 VAL 38 2.134 -0.595 7.052 281 1HG2 VAL 38 1HG2 VAL 38 4.325 -0.384 8.423 282 2HG2 VAL 38 2HG2 VAL 38 4.172 0.360 6.831 283 3HG2 VAL 38 3HG2 VAL 38 5.629 -0.541 7.247 284 H LYS 39 H LYS 39 2.549 -4.254 9.213 285 HA LYS 39 HA LYS 39 2.060 -6.198 7.041 286 1HB LYS 39 2HB LYS 39 3.065 -6.721 9.549 287 2HB LYS 39 1HB LYS 39 1.345 -7.086 9.731 288 1HG LYS 39 2HG LYS 39 1.547 -8.351 7.509 289 2HG LYS 39 1HG LYS 39 3.290 -8.236 7.734 290 1HD LYS 39 2HD LYS 39 2.409 -10.379 8.602 291 2HD LYS 39 1HD LYS 39 3.105 -9.402 9.892 292 1HE LYS 39 2HE LYS 39 1.053 -8.988 10.873 293 2HE LYS 39 1HE LYS 39 0.196 -9.033 9.332 294 1HZ LYS 39 1HZ LYS 39 1.227 -11.344 10.877 295 2HZ LYS 39 2HZ LYS 39 0.627 -11.464 9.291 296 3HZ LYS 39 3HZ LYS 39 -0.393 -10.964 10.555 297 H VAL 40 H VAL 40 0.159 -6.034 6.137 298 HA VAL 40 HA VAL 40 -2.159 -5.183 7.777 299 HB VAL 40 HB VAL 40 -1.386 -3.560 5.963 300 1HG1 VAL 40 1HG1 VAL 40 -1.761 -4.119 3.673 301 2HG1 VAL 40 2HG1 VAL 40 -2.634 -5.591 4.097 302 3HG1 VAL 40 3HG1 VAL 40 -0.891 -5.496 4.349 303 1HG2 VAL 40 1HG2 VAL 40 -4.166 -4.722 5.601 304 2HG2 VAL 40 2HG2 VAL 40 -3.661 -3.061 5.289 305 3HG2 VAL 40 3HG2 VAL 40 -3.710 -3.672 6.941 306 H ALA 41 H ALA 41 -4.139 -6.235 7.377 307 HA ALA 41 HA ALA 41 -3.870 -8.801 5.929 308 1HB ALA 41 1HB ALA 41 -6.115 -8.580 7.797 309 2HB ALA 41 2HB ALA 41 -4.544 -8.404 8.579 310 3HB ALA 41 3HB ALA 41 -4.902 -9.850 7.638 311 H ILE 42 H ILE 42 -4.689 -8.413 3.933 312 HA ILE 42 HA ILE 42 -7.048 -6.729 3.630 313 HB ILE 42 HB ILE 42 -5.143 -6.640 2.013 314 1HG1 ILE 42 2HG1 ILE 42 -6.763 -7.134 -0.060 315 2HG1 ILE 42 1HG1 ILE 42 -7.970 -7.227 1.221 316 1HG2 ILE 42 1HG2 ILE 42 -6.141 -9.384 1.185 317 2HG2 ILE 42 2HG2 ILE 42 -4.636 -9.077 2.050 318 3HG2 ILE 42 3HG2 ILE 42 -4.851 -8.463 0.413 319 1HD1 ILE 42 1HD1 ILE 42 -6.175 -4.899 0.525 320 2HD1 ILE 42 2HD1 ILE 42 -7.029 -4.997 2.064 321 3HD1 ILE 42 3HD1 ILE 42 -7.936 -4.941 0.552 322 H THR 43 H THR 43 -9.037 -7.433 2.914 323 HA THR 43 HA THR 43 -9.671 -10.178 3.659 324 HB THR 43 HB THR 43 -11.178 -8.626 4.556 325 HG1 THR 43 HG1 THR 43 -12.328 -9.616 2.167 326 1HG2 THR 43 1HG2 THR 43 -10.729 -6.623 3.419 327 2HG2 THR 43 2HG2 THR 43 -12.388 -6.993 2.950 328 3HG2 THR 43 3HG2 THR 43 -11.060 -7.334 1.840 329 H ALA 44 H ALA 44 -8.288 -9.318 1.013 330 HA ALA 44 HA ALA 44 -10.204 -10.487 -0.885 331 1HB ALA 44 1HB ALA 44 -7.667 -9.749 -2.058 332 2HB ALA 44 2HB ALA 44 -8.335 -8.410 -1.123 333 3HB ALA 44 3HB ALA 44 -9.284 -9.141 -2.418 334 HA PRO 45 HA PRO 45 -8.412 -14.497 -1.078 335 1HB PRO 45 2HB PRO 45 -8.273 -14.509 -3.961 336 2HB PRO 45 1HB PRO 45 -9.447 -15.324 -2.915 337 1HG PRO 45 2HG PRO 45 -9.747 -12.940 -4.494 338 2HG PRO 45 1HG PRO 45 -10.975 -13.865 -3.625 339 1HD PRO 45 2HD PRO 45 -10.055 -11.320 -2.924 340 2HD PRO 45 1HD PRO 45 -10.966 -12.420 -1.871 341 HA PRO 46 HA PRO 46 -4.092 -14.154 -1.970 342 1HB PRO 46 2HB PRO 46 -3.755 -16.792 -3.086 343 2HB PRO 46 1HB PRO 46 -3.472 -16.263 -1.421 344 1HG PRO 46 2HG PRO 46 -5.460 -17.992 -2.198 345 2HG PRO 46 1HG PRO 46 -5.473 -17.030 -0.712 346 1HD PRO 46 2HD PRO 46 -6.895 -16.508 -3.304 347 2HD PRO 46 1HD PRO 46 -7.447 -16.226 -1.634 348 H VAL 47 H VAL 47 -6.180 -14.337 -4.566 349 HA VAL 47 HA VAL 47 -4.130 -14.594 -6.633 350 HB VAL 47 HB VAL 47 -6.230 -13.939 -8.099 351 1HG1 VAL 47 1HG1 VAL 47 -5.984 -16.598 -6.658 352 2HG1 VAL 47 2HG1 VAL 47 -5.045 -16.118 -8.072 353 3HG1 VAL 47 3HG1 VAL 47 -6.791 -16.327 -8.202 354 1HG2 VAL 47 1HG2 VAL 47 -7.722 -15.279 -5.882 355 2HG2 VAL 47 2HG2 VAL 47 -8.311 -14.171 -7.123 356 3HG2 VAL 47 3HG2 VAL 47 -7.428 -13.546 -5.731 357 H ASP 48 H ASP 48 -3.835 -12.968 -8.289 358 HA ASP 48 HA ASP 48 -3.423 -10.371 -7.150 359 1HB ASP 48 2HB ASP 48 -3.205 -11.145 -10.063 360 2HB ASP 48 1HB ASP 48 -2.438 -9.781 -9.259 361 H GLY 49 H GLY 49 -5.392 -11.451 -9.943 362 1HA GLY 49 2HA GLY 49 -6.657 -9.201 -10.701 363 2HA GLY 49 1HA GLY 49 -7.528 -10.726 -10.559 364 H GLN 50 H GLN 50 -7.571 -11.104 -7.836 365 HA GLN 50 HA GLN 50 -9.589 -9.183 -7.049 366 1HB GLN 50 2HB GLN 50 -8.575 -11.783 -5.901 367 2HB GLN 50 1HB GLN 50 -9.640 -10.730 -4.969 368 1HG GLN 50 2HG GLN 50 -10.776 -12.551 -6.388 369 2HG GLN 50 1HG GLN 50 -11.402 -10.914 -6.546 370 1HE2 GLN 50 1HE2 GLN 50 -9.887 -13.542 -8.269 371 2HE2 GLN 50 2HE2 GLN 50 -9.778 -12.756 -9.770 372 H ALA 51 H ALA 51 -6.496 -10.311 -5.621 373 HA ALA 51 HA ALA 51 -6.476 -8.501 -3.462 374 1HB ALA 51 1HB ALA 51 -4.144 -9.042 -3.216 375 2HB ALA 51 2HB ALA 51 -4.035 -9.579 -4.893 376 3HB ALA 51 3HB ALA 51 -4.976 -10.510 -3.728 377 H ASN 52 H ASN 52 -4.745 -8.310 -6.562 378 HA ASN 52 HA ASN 52 -3.574 -5.833 -6.393 379 1HB ASN 52 2HB ASN 52 -3.472 -7.520 -8.307 380 2HB ASN 52 1HB ASN 52 -4.983 -6.817 -8.880 381 1HD2 ASN 52 1HD2 ASN 52 -2.192 -6.723 -10.091 382 2HD2 ASN 52 2HD2 ASN 52 -1.877 -5.070 -10.307 383 H SER 53 H SER 53 -6.860 -6.491 -7.686 384 HA SER 53 HA SER 53 -7.656 -3.892 -8.183 385 1HB SER 53 2HB SER 53 -9.274 -6.204 -7.098 386 2HB SER 53 1HB SER 53 -9.982 -4.687 -7.641 387 HG SER 53 HG SER 53 -8.408 -5.325 -9.558 388 H HIS 54 H HIS 54 -8.038 -5.692 -5.128 389 HA HIS 54 HA HIS 54 -9.156 -3.642 -3.588 390 1HB HIS 54 2HB HIS 54 -7.706 -6.164 -3.040 391 2HB HIS 54 1HB HIS 54 -7.689 -4.973 -1.740 392 HD1 HIS 54 HD1 HIS 54 -10.645 -5.033 -4.004 393 HD2 HIS 54 HD2 HIS 54 -9.598 -6.577 -0.275 394 HE1 HIS 54 HE1 HIS 54 -12.795 -5.831 -2.930 395 H LEU 55 H LEU 55 -5.718 -4.621 -3.753 396 HA LEU 55 HA LEU 55 -4.528 -2.752 -2.152 397 1HB LEU 55 2HB LEU 55 -3.740 -4.211 -4.592 398 2HB LEU 55 1HB LEU 55 -2.816 -2.742 -4.288 399 HG LEU 55 HG LEU 55 -2.257 -3.511 -2.038 400 1HD1 LEU 55 1HD1 LEU 55 -2.956 -6.165 -1.874 401 2HD1 LEU 55 2HD1 LEU 55 -4.384 -5.465 -2.636 402 3HD1 LEU 55 3HD1 LEU 55 -3.823 -4.850 -1.080 403 1HD2 LEU 55 1HD2 LEU 55 -0.712 -4.217 -3.730 404 2HD2 LEU 55 2HD2 LEU 55 -1.785 -5.512 -4.262 405 3HD2 LEU 55 3HD2 LEU 55 -0.985 -5.618 -2.694 406 H VAL 56 H VAL 56 -5.018 -2.319 -5.637 407 HA VAL 56 HA VAL 56 -4.360 0.395 -5.783 408 HB VAL 56 HB VAL 56 -5.944 -1.518 -7.460 409 1HG1 VAL 56 1HG1 VAL 56 -7.213 0.444 -7.886 410 2HG1 VAL 56 2HG1 VAL 56 -6.016 0.409 -9.179 411 3HG1 VAL 56 3HG1 VAL 56 -5.791 1.483 -7.801 412 1HG2 VAL 56 1HG2 VAL 56 -4.129 -0.924 -9.081 413 2HG2 VAL 56 2HG2 VAL 56 -3.521 -1.613 -7.575 414 3HG2 VAL 56 3HG2 VAL 56 -3.427 0.127 -7.850 415 H LYS 57 H LYS 57 -7.301 -1.222 -4.826 416 HA LYS 57 HA LYS 57 -9.016 1.083 -4.982 417 1HB LYS 57 2HB LYS 57 -9.619 -1.448 -5.026 418 2HB LYS 57 1HB LYS 57 -9.552 -1.326 -3.270 419 1HG LYS 57 2HG LYS 57 -11.293 0.303 -3.219 420 2HG LYS 57 1HG LYS 57 -11.193 0.568 -4.961 421 1HD LYS 57 2HD LYS 57 -11.994 -1.691 -5.398 422 2HD LYS 57 1HD LYS 57 -11.990 -2.058 -3.674 423 1HE LYS 57 2HE LYS 57 -13.676 -0.274 -3.308 424 2HE LYS 57 1HE LYS 57 -13.709 0.030 -5.045 425 1HZ LYS 57 1HZ LYS 57 -15.325 -1.691 -3.800 426 2HZ LYS 57 2HZ LYS 57 -14.068 -2.735 -4.258 427 3HZ LYS 57 3HZ LYS 57 -14.888 -1.820 -5.435 428 H PHE 58 H PHE 58 -8.096 -0.854 -2.132 429 HA PHE 58 HA PHE 58 -8.840 0.729 -0.075 430 1HB PHE 58 2HB PHE 58 -7.546 -1.512 -0.079 431 2HB PHE 58 1HB PHE 58 -6.092 -0.520 -0.067 432 HD1 PHE 58 HD1 PHE 58 -9.434 -0.502 1.690 433 HD2 PHE 58 HD2 PHE 58 -5.156 -0.204 2.041 434 HE1 PHE 58 HE1 PHE 58 -9.648 -0.239 4.148 435 HE2 PHE 58 HE2 PHE 58 -5.379 0.064 4.492 436 HZ PHE 58 HZ PHE 58 -7.620 0.043 5.550 437 H LEU 59 H LEU 59 -5.747 1.104 -1.826 438 HA LEU 59 HA LEU 59 -5.042 3.469 -0.334 439 1HB LEU 59 2HB LEU 59 -3.845 1.911 -2.579 440 2HB LEU 59 1HB LEU 59 -3.353 3.594 -2.391 441 HG LEU 59 HG LEU 59 -2.951 3.052 0.079 442 1HD1 LEU 59 1HD1 LEU 59 -2.579 0.668 0.593 443 2HD1 LEU 59 2HD1 LEU 59 -3.116 0.233 -1.030 444 3HD1 LEU 59 3HD1 LEU 59 -4.250 0.952 0.112 445 1HD2 LEU 59 1HD2 LEU 59 -1.350 1.990 -2.234 446 2HD2 LEU 59 2HD2 LEU 59 -0.805 1.668 -0.589 447 3HD2 LEU 59 3HD2 LEU 59 -0.982 3.330 -1.150 448 H GLY 60 H GLY 60 -6.537 2.734 -3.425 449 1HA GLY 60 2HA GLY 60 -6.434 5.236 -4.659 450 2HA GLY 60 1HA GLY 60 -7.722 4.056 -4.890 451 H LYS 61 H LYS 61 -8.564 3.998 -2.140 452 HA LYS 61 HA LYS 61 -10.275 6.336 -2.144 453 1HB LYS 61 2HB LYS 61 -10.385 4.681 0.266 454 2HB LYS 61 1HB LYS 61 -11.660 5.071 -0.886 455 1HG LYS 61 2HG LYS 61 -10.510 3.373 -2.447 456 2HG LYS 61 1HG LYS 61 -9.633 2.850 -1.009 457 1HD LYS 61 2HD LYS 61 -11.566 1.436 -1.190 458 2HD LYS 61 1HD LYS 61 -11.874 2.558 0.134 459 1HE LYS 61 2HE LYS 61 -13.576 3.589 -0.971 460 2HE LYS 61 1HE LYS 61 -12.733 3.537 -2.518 461 1HZ LYS 61 1HZ LYS 61 -14.839 2.000 -1.871 462 2HZ LYS 61 2HZ LYS 61 -13.547 0.957 -1.516 463 3HZ LYS 61 3HZ LYS 61 -13.706 1.621 -3.073 464 H GLN 62 H GLN 62 -7.919 4.907 0.105 465 HA GLN 62 HA GLN 62 -7.961 6.931 2.028 466 1HB GLN 62 2HB GLN 62 -5.850 4.934 1.235 467 2HB GLN 62 1HB GLN 62 -5.612 6.064 2.568 468 1HG GLN 62 2HG GLN 62 -8.109 4.386 2.431 469 2HG GLN 62 1HG GLN 62 -6.619 3.708 3.082 470 1HE2 GLN 62 1HE2 GLN 62 -5.504 5.454 4.707 471 2HE2 GLN 62 2HE2 GLN 62 -6.577 6.100 5.852 472 H PHE 63 H PHE 63 -5.787 6.541 -0.772 473 HA PHE 63 HA PHE 63 -4.501 9.085 -0.210 474 1HB PHE 63 2HB PHE 63 -3.967 6.769 -1.937 475 2HB PHE 63 1HB PHE 63 -3.576 8.322 -2.675 476 HD1 PHE 63 HD1 PHE 63 -1.859 9.767 -1.755 477 HD2 PHE 63 HD2 PHE 63 -2.870 6.048 0.144 478 HE1 PHE 63 HE1 PHE 63 0.175 9.932 -0.342 479 HE2 PHE 63 HE2 PHE 63 -0.835 6.209 1.550 480 HZ PHE 63 HZ PHE 63 0.686 8.153 1.310 481 H ARG 64 H ARG 64 -7.142 7.934 -2.061 482 HA ARG 64 HA ARG 64 -8.596 8.951 -3.502 483 1HB ARG 64 2HB ARG 64 -7.524 11.103 -1.807 484 2HB ARG 64 1HB ARG 64 -8.201 11.640 -3.338 485 1HG ARG 64 2HG ARG 64 -10.291 10.443 -2.863 486 2HG ARG 64 1HG ARG 64 -9.614 9.848 -1.347 487 1HD ARG 64 2HD ARG 64 -9.520 12.044 -0.413 488 2HD ARG 64 1HD ARG 64 -9.818 12.797 -1.974 489 HE ARG 64 HE ARG 64 -12.013 12.743 -1.210 490 1HH1 ARG 64 1HH2 ARG 64 -12.276 10.038 -2.498 491 2HH1 ARG 64 2HH2 ARG 64 -12.919 9.076 -1.210 492 1HH2 ARG 64 1HH1 ARG 64 -12.064 11.343 1.270 493 2HH2 ARG 64 2HH1 ARG 64 -12.799 9.814 0.924 494 H VAL 65 H VAL 65 -5.401 8.825 -4.042 495 HA VAL 65 HA VAL 65 -5.018 10.714 -6.140 496 HB VAL 65 HB VAL 65 -3.047 9.326 -6.737 497 1HG1 VAL 65 1HG1 VAL 65 -3.594 10.178 -3.922 498 2HG1 VAL 65 2HG1 VAL 65 -2.486 10.868 -5.105 499 3HG1 VAL 65 3HG1 VAL 65 -2.076 9.360 -4.287 500 1HG2 VAL 65 1HG2 VAL 65 -3.537 7.088 -6.386 501 2HG2 VAL 65 2HG2 VAL 65 -4.425 7.406 -4.898 502 3HG2 VAL 65 3HG2 VAL 65 -2.663 7.440 -4.897 503 H ALA 66 H ALA 66 -4.364 9.801 -8.406 504 HA ALA 66 HA ALA 66 -6.771 8.563 -9.462 505 1HB ALA 66 1HB ALA 66 -6.053 9.328 -11.575 506 2HB ALA 66 2HB ALA 66 -4.370 9.436 -11.058 507 3HB ALA 66 3HB ALA 66 -5.555 10.594 -10.452 508 H LYS 67 H LYS 67 -6.611 6.879 -11.136 509 HA LYS 67 HA LYS 67 -5.158 4.608 -10.173 510 1HB LYS 67 2HB LYS 67 -6.241 3.396 -11.943 511 2HB LYS 67 1HB LYS 67 -7.419 4.548 -11.317 512 1HG LYS 67 2HG LYS 67 -6.373 6.111 -13.206 513 2HG LYS 67 1HG LYS 67 -5.964 4.557 -13.934 514 1HD LYS 67 2HD LYS 67 -8.361 3.870 -13.689 515 2HD LYS 67 1HD LYS 67 -8.729 5.496 -13.108 516 1HE LYS 67 2HE LYS 67 -7.774 6.406 -15.248 517 2HE LYS 67 1HE LYS 67 -7.618 4.748 -15.830 518 1HZ LYS 67 1HZ LYS 67 -10.188 5.824 -14.841 519 2HZ LYS 67 2HZ LYS 67 -9.919 4.448 -15.799 520 3HZ LYS 67 3HZ LYS 67 -9.709 5.999 -16.459 521 H SER 68 H SER 68 -4.553 7.129 -12.400 522 HA SER 68 HA SER 68 -2.525 5.760 -13.944 523 1HB SER 68 2HB SER 68 -4.079 8.049 -14.269 524 2HB SER 68 1HB SER 68 -2.453 8.672 -14.013 525 HG SER 68 HG SER 68 -2.920 6.509 -15.757 526 H GLN 69 H GLN 69 -2.683 7.093 -10.872 527 HA GLN 69 HA GLN 69 0.194 7.769 -10.814 528 1HB GLN 69 2HB GLN 69 -2.060 8.510 -8.932 529 2HB GLN 69 1HB GLN 69 -0.366 8.924 -8.673 530 1HG GLN 69 2HG GLN 69 -0.308 10.303 -10.628 531 2HG GLN 69 1HG GLN 69 -1.859 9.686 -11.193 532 1HE2 GLN 69 1HE2 GLN 69 -2.749 11.908 -11.204 533 2HE2 GLN 69 2HE2 GLN 69 -3.159 12.676 -9.746 534 H VAL 70 H VAL 70 -1.881 5.258 -10.079 535 HA VAL 70 HA VAL 70 -0.328 4.378 -7.750 536 HB VAL 70 HB VAL 70 -2.854 4.415 -7.656 537 1HG1 VAL 70 1HG1 VAL 70 -2.854 1.862 -9.210 538 2HG1 VAL 70 2HG1 VAL 70 -2.871 3.378 -10.106 539 3HG1 VAL 70 3HG1 VAL 70 -4.155 3.022 -8.956 540 1HG2 VAL 70 1HG2 VAL 70 -2.972 2.320 -6.452 541 2HG2 VAL 70 2HG2 VAL 70 -1.367 3.008 -6.201 542 3HG2 VAL 70 3HG2 VAL 70 -1.589 1.680 -7.342 543 H VAL 71 H VAL 71 1.508 3.499 -8.490 544 HA VAL 71 HA VAL 71 1.275 1.400 -10.584 545 HB VAL 71 HB VAL 71 3.679 3.101 -9.889 546 1HG1 VAL 71 1HG1 VAL 71 4.556 2.046 -12.028 547 2HG1 VAL 71 2HG1 VAL 71 3.204 0.916 -11.938 548 3HG1 VAL 71 3HG1 VAL 71 4.419 0.940 -10.661 549 1HG2 VAL 71 1HG2 VAL 71 3.222 4.328 -11.848 550 2HG2 VAL 71 2HG2 VAL 71 1.620 4.106 -11.145 551 3HG2 VAL 71 3HG2 VAL 71 2.144 3.087 -12.486 552 H ILE 72 H ILE 72 1.665 -0.606 -10.041 553 HA ILE 72 HA ILE 72 2.759 -1.345 -7.430 554 HB ILE 72 HB ILE 72 1.807 -3.092 -9.719 555 1HG1 ILE 72 2HG1 ILE 72 0.254 -2.137 -7.294 556 2HG1 ILE 72 1HG1 ILE 72 0.123 -1.394 -8.887 557 1HG2 ILE 72 1HG2 ILE 72 1.343 -4.619 -7.687 558 2HG2 ILE 72 2HG2 ILE 72 2.419 -3.544 -6.796 559 3HG2 ILE 72 3HG2 ILE 72 3.022 -4.435 -8.193 560 1HD1 ILE 72 1HD1 ILE 72 -0.440 -3.701 -9.799 561 2HD1 ILE 72 2HD1 ILE 72 -1.660 -2.982 -8.753 562 3HD1 ILE 72 3HD1 ILE 72 -0.591 -4.235 -8.125 563 H GLU 73 H GLU 73 4.908 -0.818 -7.550 564 HA GLU 73 HA GLU 73 6.634 -1.474 -9.715 565 1HB GLU 73 2HB GLU 73 7.167 -0.738 -6.838 566 2HB GLU 73 1HB GLU 73 8.444 -0.982 -8.030 567 1HG GLU 73 2HG GLU 73 7.536 0.786 -9.436 568 2HG GLU 73 1HG GLU 73 6.153 0.978 -8.358 569 H LYS 74 H LYS 74 5.350 -3.396 -7.161 570 HA LYS 74 HA LYS 74 6.421 -5.784 -8.044 571 1HB LYS 74 2HB LYS 74 8.313 -4.237 -6.522 572 2HB LYS 74 1HB LYS 74 7.861 -5.669 -5.601 573 1HG LYS 74 2HG LYS 74 8.388 -7.098 -7.536 574 2HG LYS 74 1HG LYS 74 8.822 -5.673 -8.480 575 1HD LYS 74 2HD LYS 74 10.157 -6.118 -5.829 576 2HD LYS 74 1HD LYS 74 10.696 -7.053 -7.226 577 1HE LYS 74 2HE LYS 74 11.089 -4.980 -8.483 578 2HE LYS 74 1HE LYS 74 10.512 -4.027 -7.114 579 1HZ LYS 74 1HZ LYS 74 13.086 -5.013 -7.565 580 2HZ LYS 74 2HZ LYS 74 12.464 -5.817 -6.203 581 3HZ LYS 74 3HZ LYS 74 12.526 -4.120 -6.237 582 H GLY 75 H GLY 75 6.061 -7.507 -6.488 583 1HA GLY 75 2HA GLY 75 5.042 -8.466 -4.589 584 2HA GLY 75 1HA GLY 75 4.355 -6.893 -4.197 585 H GLU 76 H GLU 76 3.874 -7.205 -7.402 586 HA GLU 76 HA GLU 76 1.182 -7.244 -7.539 587 1HB GLU 76 2HB GLU 76 2.829 -7.114 -9.462 588 2HB GLU 76 1HB GLU 76 2.840 -8.877 -9.463 589 1HG GLU 76 2HG GLU 76 0.326 -8.815 -9.706 590 2HG GLU 76 1HG GLU 76 0.447 -7.069 -9.908 591 H LEU 77 H LEU 77 3.189 -10.077 -6.924 592 HA LEU 77 HA LEU 77 0.713 -11.650 -6.522 593 1HB LEU 77 2HB LEU 77 2.387 -12.173 -8.545 594 2HB LEU 77 1HB LEU 77 3.230 -13.054 -7.274 595 HG LEU 77 HG LEU 77 0.330 -13.418 -8.076 596 1HD1 LEU 77 1HD1 LEU 77 0.987 -15.487 -9.011 597 2HD1 LEU 77 2HD1 LEU 77 2.558 -15.445 -8.210 598 3HD1 LEU 77 3HD1 LEU 77 2.222 -14.351 -9.553 599 1HD2 LEU 77 1HD2 LEU 77 0.329 -13.887 -5.777 600 2HD2 LEU 77 2HD2 LEU 77 1.983 -14.501 -5.805 601 3HD2 LEU 77 3HD2 LEU 77 0.672 -15.466 -6.482 602 H GLY 78 H GLY 78 4.157 -11.325 -5.656 603 1HA GLY 78 2HA GLY 78 4.181 -13.119 -3.493 604 2HA GLY 78 1HA GLY 78 5.269 -11.741 -3.676 605 H ARG 79 H ARG 79 3.891 -12.810 -1.250 606 HA ARG 79 HA ARG 79 1.725 -11.301 -0.409 607 1HB ARG 79 2HB ARG 79 4.054 -12.524 1.021 608 2HB ARG 79 1HB ARG 79 2.989 -11.435 1.918 609 1HG ARG 79 2HG ARG 79 1.198 -12.879 1.808 610 2HG ARG 79 1HG ARG 79 1.656 -13.496 0.221 611 1HD ARG 79 2HD ARG 79 3.623 -14.642 1.404 612 2HD ARG 79 1HD ARG 79 2.800 -14.259 2.912 613 HE ARG 79 HE ARG 79 0.874 -15.581 1.982 614 1HH1 ARG 79 1HH2 ARG 79 2.009 -16.122 -0.737 615 2HH1 ARG 79 2HH2 ARG 79 2.671 -17.713 -0.558 616 1HH2 ARG 79 1HH1 ARG 79 2.643 -17.623 2.909 617 2HH2 ARG 79 2HH1 ARG 79 3.032 -18.561 1.505 618 H HIS 80 H HIS 80 4.887 -10.283 -1.159 619 HA HIS 80 HA HIS 80 5.008 -7.909 0.424 620 1HB HIS 80 2HB HIS 80 6.396 -8.114 -2.221 621 2HB HIS 80 1HB HIS 80 6.997 -7.484 -0.688 622 HD1 HIS 80 HD1 HIS 80 6.168 -10.790 -2.366 623 HD2 HIS 80 HD2 HIS 80 8.376 -9.357 0.867 624 HE1 HIS 80 HE1 HIS 80 7.461 -12.765 -1.448 625 H LYS 81 H LYS 81 5.002 -5.690 -0.603 626 HA LYS 81 HA LYS 81 3.342 -5.397 -2.979 627 1HB LYS 81 2HB LYS 81 1.427 -5.198 -1.793 628 2HB LYS 81 1HB LYS 81 2.290 -5.106 -0.262 629 1HG LYS 81 2HG LYS 81 2.706 -2.735 -0.574 630 2HG LYS 81 1HG LYS 81 2.024 -2.791 -2.200 631 1HD LYS 81 2HD LYS 81 -0.158 -3.502 -1.214 632 2HD LYS 81 1HD LYS 81 0.537 -3.309 0.395 633 1HE LYS 81 2HE LYS 81 0.671 -0.986 0.203 634 2HE LYS 81 1HE LYS 81 0.688 -1.031 -1.558 635 1HZ LYS 81 1HZ LYS 81 -1.550 -1.188 -1.671 636 2HZ LYS 81 2HZ LYS 81 -1.461 -0.406 -0.166 637 3HZ LYS 81 3HZ LYS 81 -1.686 -2.087 -0.240 638 H GLN 82 H GLN 82 3.969 -3.613 -4.109 639 HA GLN 82 HA GLN 82 5.359 -1.473 -2.653 640 1HB GLN 82 2HB GLN 82 6.520 -2.426 -5.252 641 2HB GLN 82 1HB GLN 82 7.289 -1.527 -3.944 642 1HG GLN 82 2HG GLN 82 6.870 -3.667 -2.527 643 2HG GLN 82 1HG GLN 82 6.659 -4.468 -4.083 644 1HE2 GLN 82 1HE2 GLN 82 8.709 -2.428 -5.243 645 2HE2 GLN 82 2HE2 GLN 82 10.206 -3.069 -4.763 646 H ILE 83 H ILE 83 3.361 -0.406 -3.005 647 HA ILE 83 HA ILE 83 2.675 0.202 -5.787 648 HB ILE 83 HB ILE 83 1.270 0.867 -3.185 649 1HG1 ILE 83 2HG1 ILE 83 0.564 -1.090 -5.397 650 2HG1 ILE 83 1HG1 ILE 83 1.319 -1.551 -3.875 651 1HG2 ILE 83 1HG2 ILE 83 -0.578 1.623 -4.594 652 2HG2 ILE 83 2HG2 ILE 83 0.328 1.213 -6.051 653 3HG2 ILE 83 3HG2 ILE 83 0.874 2.530 -5.015 654 1HD1 ILE 83 1HD1 ILE 83 -1.478 -0.791 -4.439 655 2HD1 ILE 83 2HD1 ILE 83 -0.801 -0.086 -2.971 656 3HD1 ILE 83 3HD1 ILE 83 -0.829 -1.838 -3.178 657 H LYS 84 H LYS 84 2.870 2.175 -6.685 658 HA LYS 84 HA LYS 84 4.377 4.188 -5.129 659 1HB LYS 84 2HB LYS 84 5.079 3.024 -7.486 660 2HB LYS 84 1HB LYS 84 4.227 4.453 -8.072 661 1HG LYS 84 2HG LYS 84 6.055 5.005 -5.828 662 2HG LYS 84 1HG LYS 84 6.865 4.411 -7.277 663 1HD LYS 84 2HD LYS 84 6.783 6.771 -7.546 664 2HD LYS 84 1HD LYS 84 5.493 6.150 -8.574 665 1HE LYS 84 2HE LYS 84 3.831 6.993 -7.228 666 2HE LYS 84 1HE LYS 84 4.766 6.761 -5.753 667 1HZ LYS 84 1HZ LYS 84 6.108 8.651 -6.295 668 2HZ LYS 84 2HZ LYS 84 4.472 9.106 -6.346 669 3HZ LYS 84 3HZ LYS 84 5.327 8.843 -7.789 670 H ILE 85 H ILE 85 3.415 6.035 -4.642 671 HA ILE 85 HA ILE 85 0.867 6.696 -5.970 672 HB ILE 85 HB ILE 85 1.986 7.178 -3.216 673 1HG1 ILE 85 2HG1 ILE 85 -0.191 6.360 -2.530 674 2HG1 ILE 85 1HG1 ILE 85 -0.809 6.469 -4.178 675 1HG2 ILE 85 1HG2 ILE 85 1.365 9.388 -3.547 676 2HG2 ILE 85 2HG2 ILE 85 -0.184 8.710 -3.057 677 3HG2 ILE 85 3HG2 ILE 85 0.157 8.981 -4.764 678 1HD1 ILE 85 1HD1 ILE 85 0.443 4.624 -4.904 679 2HD1 ILE 85 2HD1 ILE 85 -0.048 4.144 -3.281 680 3HD1 ILE 85 3HD1 ILE 85 1.585 4.748 -3.563 681 H ILE 86 H ILE 86 1.464 7.931 -7.730 682 HA ILE 86 HA ILE 86 3.455 10.040 -7.505 683 HB ILE 86 HB ILE 86 1.534 9.284 -9.731 684 1HG1 ILE 86 2HG1 ILE 86 4.550 9.033 -9.561 685 2HG1 ILE 86 1HG1 ILE 86 3.440 7.714 -9.193 686 1HG2 ILE 86 1HG2 ILE 86 3.556 11.506 -9.470 687 2HG2 ILE 86 2HG2 ILE 86 1.911 11.577 -10.106 688 3HG2 ILE 86 3HG2 ILE 86 3.191 10.815 -11.050 689 1HD1 ILE 86 1HD1 ILE 86 4.091 7.435 -11.485 690 2HD1 ILE 86 2HD1 ILE 86 3.795 9.134 -11.843 691 3HD1 ILE 86 3HD1 ILE 86 2.441 8.056 -11.505 692 H ASN 87 H ASN 87 2.998 12.295 -7.710 693 HA ASN 87 HA ASN 87 1.877 14.151 -6.856 694 1HB ASN 87 2HB ASN 87 0.147 12.951 -9.002 695 2HB ASN 87 1HB ASN 87 -0.357 14.421 -8.171 696 1HD2 ASN 87 1HD2 ASN 87 2.956 13.388 -9.139 697 2HD2 ASN 87 2HD2 ASN 87 3.248 14.744 -10.116 698 HA PRO 88 HA PRO 88 -0.730 11.881 -3.835 699 1HB PRO 88 2HB PRO 88 0.386 13.538 -1.764 700 2HB PRO 88 1HB PRO 88 0.618 11.804 -2.031 701 1HG PRO 88 2HG PRO 88 2.541 13.773 -2.353 702 2HG PRO 88 1HG PRO 88 2.624 12.125 -2.983 703 1HD PRO 88 2HD PRO 88 2.026 14.651 -4.421 704 2HD PRO 88 1HD PRO 88 2.710 13.133 -5.041 705 H GLN 89 H GLN 89 -2.723 12.477 -3.310 706 HA GLN 89 HA GLN 89 -3.408 15.353 -3.325 707 1HB GLN 89 2HB GLN 89 -4.463 13.560 -4.954 708 2HB GLN 89 1HB GLN 89 -5.449 13.163 -3.548 709 1HG GLN 89 2HG GLN 89 -5.156 15.947 -4.709 710 2HG GLN 89 1HG GLN 89 -6.512 14.867 -5.032 711 1HE2 GLN 89 1HE2 GLN 89 -7.227 13.839 -2.614 712 2HE2 GLN 89 2HE2 GLN 89 -7.583 15.066 -1.498 713 H GLN 90 H GLN 90 -3.541 12.358 -1.549 714 HA GLN 90 HA GLN 90 -4.265 13.815 0.869 715 1HB GLN 90 2HB GLN 90 -6.429 13.068 0.015 716 2HB GLN 90 1HB GLN 90 -5.824 11.418 -0.133 717 1HG GLN 90 2HG GLN 90 -5.539 11.235 2.260 718 2HG GLN 90 1HG GLN 90 -5.902 12.946 2.482 719 1HE2 GLN 90 1HE2 GLN 90 -7.561 10.379 0.554 720 2HE2 GLN 90 2HE2 GLN 90 -9.079 10.626 1.273 721 H ILE 91 H ILE 91 -2.843 13.262 2.356 722 HA ILE 91 HA ILE 91 -1.606 10.582 2.237 723 HB ILE 91 HB ILE 91 0.008 12.385 1.862 724 1HG1 ILE 91 2HG1 ILE 91 0.644 11.609 4.667 725 2HG1 ILE 91 1HG1 ILE 91 0.309 10.285 3.551 726 1HG2 ILE 91 1HG2 ILE 91 -0.357 13.404 4.649 727 2HG2 ILE 91 2HG2 ILE 91 -1.493 13.957 3.418 728 3HG2 ILE 91 3HG2 ILE 91 0.236 14.243 3.216 729 1HD1 ILE 91 1HD1 ILE 91 2.683 10.736 3.480 730 2HD1 ILE 91 2HD1 ILE 91 2.396 12.457 3.225 731 3HD1 ILE 91 3HD1 ILE 91 1.979 11.295 1.964 732 HA PRO 92 HA PRO 92 -3.903 10.113 6.056 733 1HB PRO 92 2HB PRO 92 -2.801 7.465 6.324 734 2HB PRO 92 1HB PRO 92 -4.448 7.926 5.873 735 1HG PRO 92 2HG PRO 92 -2.489 6.789 4.217 736 2HG PRO 92 1HG PRO 92 -4.056 7.445 3.730 737 1HD PRO 92 2HD PRO 92 -1.392 8.583 3.340 738 2HD PRO 92 1HD PRO 92 -2.934 9.060 2.600 739 HA PRO 93 HA PRO 93 -0.790 10.625 9.139 740 1HB PRO 93 2HB PRO 93 -1.905 8.872 11.139 741 2HB PRO 93 1HB PRO 93 -2.049 10.631 11.020 742 1HG PRO 93 2HG PRO 93 -4.100 8.807 10.656 743 2HG PRO 93 1HG PRO 93 -4.114 10.501 10.147 744 1HD PRO 93 2HD PRO 93 -3.719 8.050 8.510 745 2HD PRO 93 1HD PRO 93 -4.369 9.636 8.038 746 H GLU 94 H GLU 94 -1.526 7.412 8.153 747 HA GLU 94 HA GLU 94 0.258 5.815 9.547 748 1HB GLU 94 2HB GLU 94 -1.493 5.186 7.759 749 2HB GLU 94 1HB GLU 94 -0.216 5.510 6.588 750 1HG GLU 94 2HG GLU 94 0.229 3.660 8.936 751 2HG GLU 94 1HG GLU 94 -0.465 3.080 7.424 752 H VAL 95 H VAL 95 0.862 7.209 6.316 753 HA VAL 95 HA VAL 95 3.674 6.665 6.449 754 HB VAL 95 HB VAL 95 2.358 8.591 4.534 755 1HG1 VAL 95 1HG1 VAL 95 4.119 7.890 3.049 756 2HG1 VAL 95 2HG1 VAL 95 4.590 6.581 4.132 757 3HG1 VAL 95 3HG1 VAL 95 4.871 8.257 4.600 758 1HG2 VAL 95 1HG2 VAL 95 2.377 5.555 4.424 759 2HG2 VAL 95 2HG2 VAL 95 1.908 6.606 3.087 760 3HG2 VAL 95 3HG2 VAL 95 0.951 6.584 4.568 761 H ALA 96 H ALA 96 1.603 9.273 7.356 762 HA ALA 96 HA ALA 96 3.568 11.343 7.375 763 1HB ALA 96 1HB ALA 96 1.334 11.545 9.298 764 2HB ALA 96 2HB ALA 96 0.860 11.307 7.617 765 3HB ALA 96 3HB ALA 96 1.868 12.683 8.060 766 H ALA 97 H ALA 97 2.641 8.826 9.596 767 HA ALA 97 HA ALA 97 3.579 9.793 12.021 768 1HB ALA 97 1HB ALA 97 3.776 7.491 12.712 769 2HB ALA 97 2HB ALA 97 3.863 6.951 11.035 770 3HB ALA 97 3HB ALA 97 2.365 7.638 11.663 771 H LEU 98 H LEU 98 5.392 8.871 9.218 772 HA LEU 98 HA LEU 98 7.902 8.900 10.779 773 1HB LEU 98 2HB LEU 98 7.453 7.923 7.949 774 2HB LEU 98 1HB LEU 98 8.932 7.762 8.894 775 HG LEU 98 HG LEU 98 6.355 6.657 9.986 776 1HD1 LEU 98 1HD1 LEU 98 6.516 5.772 7.691 777 2HD1 LEU 98 2HD1 LEU 98 6.851 4.506 8.873 778 3HD1 LEU 98 3HD1 LEU 98 8.179 5.268 7.996 779 1HD2 LEU 98 1HD2 LEU 98 8.420 6.753 11.381 780 2HD2 LEU 98 2HD2 LEU 98 9.256 5.772 10.179 781 3HD2 LEU 98 3HD2 LEU 98 7.901 5.096 11.081 782 H ILE 99 H ILE 99 6.325 10.238 7.890 783 HA ILE 99 HA ILE 99 8.528 11.975 7.241 784 HB ILE 99 HB ILE 99 5.651 12.026 6.285 785 1HG1 ILE 99 2HG1 ILE 99 8.114 10.871 4.938 786 2HG1 ILE 99 1HG1 ILE 99 6.965 9.897 5.858 787 1HG2 ILE 99 1HG2 ILE 99 6.914 13.146 4.276 788 2HG2 ILE 99 2HG2 ILE 99 8.157 13.494 5.480 789 3HG2 ILE 99 3HG2 ILE 99 6.522 14.123 5.691 790 1HD1 ILE 99 1HD1 ILE 99 5.154 10.534 4.361 791 2HD1 ILE 99 2HD1 ILE 99 6.490 9.901 3.401 792 3HD1 ILE 99 3HD1 ILE 99 6.216 11.641 3.491 793 H ASN 100 H ASN 100 6.026 12.086 9.530 794 HA ASN 100 HA ASN 100 6.147 15.031 9.731 795 1HB ASN 100 2HB ASN 100 3.900 13.811 9.605 796 2HB ASN 100 1HB ASN 100 4.260 13.197 11.216 797 1HD2 ASN 100 1HD2 ASN 100 2.026 14.921 10.745 798 2HD2 ASN 100 2HD2 ASN 100 2.316 16.398 11.528 799 H LEU 101 H LEU 101 6.753 12.020 11.445 800 HA LEU 101 HA LEU 101 7.743 11.565 13.477 801 1HB LEU 101 2HB LEU 101 9.627 12.498 12.071 802 2HB LEU 101 1HB LEU 101 9.350 14.054 12.854 803 HG LEU 101 HG LEU 101 9.476 12.443 15.039 804 1HD1 LEU 101 1HD1 LEU 101 10.103 10.605 13.211 805 2HD1 LEU 101 2HD1 LEU 101 10.887 10.628 14.790 806 3HD1 LEU 101 3HD1 LEU 101 11.707 11.319 13.390 807 1HD2 LEU 101 1HD2 LEU 101 11.994 13.111 15.020 808 2HD2 LEU 101 2HD2 LEU 101 10.787 14.397 14.985 809 3HD2 LEU 101 3HD2 LEU 101 11.609 13.918 13.500 810 H GLU 102 H GLU 102 5.625 12.237 14.429 811 HA GLU 102 HA GLU 102 5.595 14.819 15.782 812 1HB GLU 102 2HB GLU 102 3.621 12.579 15.443 813 2HB GLU 102 1HB GLU 102 3.358 13.829 16.658 814 1HG GLU 102 2HG GLU 102 4.063 14.648 13.860 815 2HG GLU 102 1HG GLU 102 2.414 14.137 14.210 816 H HIS 103 H HIS 103 6.729 11.696 16.430 817 HA HIS 103 HA HIS 103 6.142 11.298 19.135 818 1HB HIS 103 2HB HIS 103 8.323 10.442 17.290 819 2HB HIS 103 1HB HIS 103 8.604 10.247 19.019 820 HD1 HIS 103 HD1 HIS 103 6.178 9.201 16.300 821 HD2 HIS 103 HD2 HIS 103 7.162 8.169 20.218 822 HE1 HIS 103 HE1 HIS 103 4.909 7.070 16.822 823 H HIS 104 H HIS 104 6.145 13.472 20.004 824 HA HIS 104 HA HIS 104 7.054 15.329 21.018 825 1HB HIS 104 2HB HIS 104 7.735 13.211 22.431 826 2HB HIS 104 1HB HIS 104 9.360 13.615 21.883 827 HD1 HIS 104 HD1 HIS 104 9.677 16.506 22.115 828 HD2 HIS 104 HD2 HIS 104 7.280 14.460 24.842 829 HE1 HIS 104 HE1 HIS 104 9.504 17.981 24.162 830 H HIS 105 H HIS 105 10.119 15.263 21.502 831 HA HIS 105 HA HIS 105 11.989 16.164 20.561 832 1HB HIS 105 2HB HIS 105 10.865 15.314 17.883 833 2HB HIS 105 1HB HIS 105 12.555 15.584 18.308 834 HD1 HIS 105 HD1 HIS 105 11.430 14.016 21.199 835 HD2 HIS 105 HD2 HIS 105 12.098 12.581 17.344 836 HE1 HIS 105 HE1 HIS 105 11.671 11.505 21.405 837 H HIS 106 H HIS 106 9.513 16.813 18.058 838 HA HIS 106 HA HIS 106 9.088 18.800 16.926 839 1HB HIS 106 2HB HIS 106 8.724 19.566 19.835 840 2HB HIS 106 1HB HIS 106 8.118 20.502 18.469 841 HD1 HIS 106 HD1 HIS 106 5.979 19.509 20.284 842 HD2 HIS 106 HD2 HIS 106 7.458 17.142 17.188 843 HE1 HIS 106 HE1 HIS 106 4.204 17.769 19.800 844 H HIS 107 H HIS 107 11.573 18.738 16.515 845 HA HIS 107 HA HIS 107 13.430 20.332 17.777 846 1HB HIS 107 2HB HIS 107 14.526 20.550 15.559 847 2HB HIS 107 1HB HIS 107 14.013 18.897 15.893 848 HD1 HIS 107 HD1 HIS 107 13.740 21.513 13.391 849 HD2 HIS 107 HD2 HIS 107 11.349 18.319 14.603 850 HE1 HIS 107 HE1 HIS 107 12.080 21.110 11.521 851 H HIS 108 H HIS 108 11.164 21.328 15.210 852 HA HIS 108 HA HIS 108 10.861 23.954 16.322 853 1HB HIS 108 2HB HIS 108 13.074 24.189 15.207 854 2HB HIS 108 1HB HIS 108 12.324 23.738 13.678 855 HD1 HIS 108 HD1 HIS 108 11.862 26.357 16.417 856 HD2 HIS 108 HD2 HIS 108 11.271 25.901 12.317 857 HE1 HIS 108 HE1 HIS 108 11.074 28.604 15.554 Start of MODEL 8 1 HA MET 1 HA MET 1 24.374 -0.778 9.842 2 1HB MET 1 2HB MET 1 24.026 -0.271 7.256 3 2HB MET 1 1HB MET 1 24.172 -1.928 7.841 4 1HG MET 1 2HG MET 1 21.880 -2.346 7.628 5 2HG MET 1 1HG MET 1 21.459 -0.636 7.694 6 1HE MET 1 1HE MET 1 19.863 -1.509 5.943 7 2HE MET 1 2HE MET 1 20.555 -2.996 5.300 8 3HE MET 1 3HE MET 1 20.225 -1.647 4.216 9 H ASP 2 H ASP 2 21.367 0.778 8.722 10 HA ASP 2 HA ASP 2 22.133 3.307 9.850 11 1HB ASP 2 2HB ASP 2 23.469 3.276 7.736 12 2HB ASP 2 1HB ASP 2 21.963 3.132 6.833 13 H GLY 3 H GLY 3 20.038 1.523 7.636 14 1HA GLY 3 2HA GLY 3 17.793 3.329 8.247 15 2HA GLY 3 1HA GLY 3 17.840 2.146 6.944 16 H VAL 4 H VAL 4 18.196 -0.183 7.806 17 HA VAL 4 HA VAL 4 17.382 -1.998 8.907 18 HB VAL 4 HB VAL 4 17.604 -2.029 11.148 19 1HG1 VAL 4 1HG1 VAL 4 19.270 -0.221 10.160 20 2HG1 VAL 4 2HG1 VAL 4 19.167 -0.503 11.896 21 3HG1 VAL 4 3HG1 VAL 4 18.333 0.872 11.178 22 1HG2 VAL 4 1HG2 VAL 4 15.730 0.327 11.118 23 2HG2 VAL 4 2HG2 VAL 4 16.608 -0.081 12.588 24 3HG2 VAL 4 3HG2 VAL 4 15.517 -1.256 11.860 25 H MET 5 H MET 5 15.451 0.830 8.597 26 HA MET 5 HA MET 5 13.001 -0.793 8.810 27 1HB MET 5 2HB MET 5 11.969 1.617 8.968 28 2HB MET 5 1HB MET 5 12.620 0.831 10.407 29 1HG MET 5 2HG MET 5 14.420 2.252 10.531 30 2HG MET 5 1HG MET 5 14.541 2.415 8.779 31 1HE MET 5 1HE MET 5 11.022 3.085 10.800 32 2HE MET 5 2HE MET 5 11.671 4.481 11.655 33 3HE MET 5 3HE MET 5 12.470 2.918 11.802 34 H SER 6 H SER 6 12.543 -1.380 6.776 35 HA SER 6 HA SER 6 12.403 0.775 4.785 36 1HB SER 6 2HB SER 6 12.693 -1.632 3.362 37 2HB SER 6 1HB SER 6 13.864 -0.326 3.495 38 HG SER 6 HG SER 6 14.824 -1.357 5.177 39 H ALA 7 H ALA 7 10.380 1.182 4.464 40 HA ALA 7 HA ALA 7 8.528 -0.915 3.696 41 1HB ALA 7 1HB ALA 7 8.014 -1.011 5.989 42 2HB ALA 7 2HB ALA 7 6.805 0.094 5.333 43 3HB ALA 7 3HB ALA 7 8.207 0.730 6.195 44 H VAL 8 H VAL 8 9.611 2.342 3.755 45 HA VAL 8 HA VAL 8 7.938 2.969 1.541 46 HB VAL 8 HB VAL 8 6.236 3.582 3.022 47 1HG1 VAL 8 1HG1 VAL 8 7.332 3.175 5.116 48 2HG1 VAL 8 2HG1 VAL 8 6.752 4.840 5.171 49 3HG1 VAL 8 3HG1 VAL 8 8.456 4.510 4.860 50 1HG2 VAL 8 1HG2 VAL 8 7.884 6.130 2.970 51 2HG2 VAL 8 2HG2 VAL 8 6.128 5.995 3.057 52 3HG2 VAL 8 3HG2 VAL 8 6.976 5.534 1.582 53 H THR 9 H THR 9 8.502 4.978 0.523 54 HA THR 9 HA THR 9 10.871 6.369 1.513 55 HB THR 9 HB THR 9 10.810 4.569 -0.887 56 HG1 THR 9 HG1 THR 9 12.766 5.182 1.073 57 1HG2 THR 9 1HG2 THR 9 11.460 6.638 -1.907 58 2HG2 THR 9 2HG2 THR 9 12.957 5.762 -1.595 59 3HG2 THR 9 3HG2 THR 9 12.467 7.079 -0.529 60 H VAL 10 H VAL 10 10.997 8.448 0.798 61 HA VAL 10 HA VAL 10 8.856 9.384 -0.996 62 HB VAL 10 HB VAL 10 10.171 11.535 0.389 63 1HG1 VAL 10 1HG1 VAL 10 7.881 11.953 1.184 64 2HG1 VAL 10 2HG1 VAL 10 7.396 10.340 0.661 65 3HG1 VAL 10 3HG1 VAL 10 7.876 11.548 -0.531 66 1HG2 VAL 10 1HG2 VAL 10 9.540 10.919 2.710 67 2HG2 VAL 10 2HG2 VAL 10 10.794 9.852 2.077 68 3HG2 VAL 10 3HG2 VAL 10 9.120 9.297 2.156 69 H ASN 11 H ASN 11 9.652 9.467 -2.984 70 HA ASN 11 HA ASN 11 12.408 10.334 -3.468 71 1HB ASN 11 2HB ASN 11 10.355 9.496 -5.521 72 2HB ASN 11 1HB ASN 11 12.107 9.546 -5.703 73 1HD2 ASN 11 1HD2 ASN 11 13.276 7.677 -5.098 74 2HD2 ASN 11 2HD2 ASN 11 12.572 6.325 -4.350 75 H ASP 12 H ASP 12 11.753 11.342 -6.137 76 HA ASP 12 HA ASP 12 10.748 14.017 -5.372 77 1HB ASP 12 2HB ASP 12 12.649 13.126 -7.551 78 2HB ASP 12 1HB ASP 12 11.978 14.753 -7.458 79 H ASP 13 H ASP 13 9.675 11.274 -6.582 80 HA ASP 13 HA ASP 13 8.063 12.463 -8.755 81 1HB ASP 13 2HB ASP 13 9.443 10.523 -9.373 82 2HB ASP 13 1HB ASP 13 8.693 9.574 -8.096 83 H GLY 14 H GLY 14 8.007 11.045 -5.608 84 1HA GLY 14 2HA GLY 14 5.566 11.888 -4.761 85 2HA GLY 14 1HA GLY 14 5.204 10.369 -5.577 86 H LEU 15 H LEU 15 5.000 8.778 -4.148 87 HA LEU 15 HA LEU 15 7.115 8.370 -2.169 88 1HB LEU 15 2HB LEU 15 5.575 8.098 -0.320 89 2HB LEU 15 1HB LEU 15 5.352 9.695 -1.023 90 HG LEU 15 HG LEU 15 3.652 7.482 -2.084 91 1HD1 LEU 15 1HD1 LEU 15 3.256 8.809 0.611 92 2HD1 LEU 15 2HD1 LEU 15 3.497 7.087 0.311 93 3HD1 LEU 15 3HD1 LEU 15 2.019 7.878 -0.234 94 1HD2 LEU 15 1HD2 LEU 15 1.992 9.416 -2.016 95 2HD2 LEU 15 2HD2 LEU 15 3.384 9.656 -3.073 96 3HD2 LEU 15 3HD2 LEU 15 3.332 10.436 -1.491 97 H VAL 16 H VAL 16 7.416 6.256 -1.561 98 HA VAL 16 HA VAL 16 5.963 4.262 -3.179 99 HB VAL 16 HB VAL 16 8.571 3.798 -1.734 100 1HG1 VAL 16 1HG1 VAL 16 8.831 2.009 -3.304 101 2HG1 VAL 16 2HG1 VAL 16 7.503 2.601 -4.301 102 3HG1 VAL 16 3HG1 VAL 16 7.172 1.904 -2.715 103 1HG2 VAL 16 1HG2 VAL 16 9.109 5.677 -3.080 104 2HG2 VAL 16 2HG2 VAL 16 8.074 5.134 -4.400 105 3HG2 VAL 16 3HG2 VAL 16 9.583 4.289 -4.059 106 H LEU 17 H LEU 17 4.672 2.810 -2.170 107 HA LEU 17 HA LEU 17 4.828 2.685 0.779 108 1HB LEU 17 2HB LEU 17 2.624 3.138 -0.956 109 2HB LEU 17 1HB LEU 17 2.389 1.555 -0.214 110 HG LEU 17 HG LEU 17 3.152 4.006 1.387 111 1HD1 LEU 17 1HD1 LEU 17 0.418 2.913 0.688 112 2HD1 LEU 17 2HD1 LEU 17 1.027 4.546 0.415 113 3HD1 LEU 17 3HD1 LEU 17 0.699 3.989 2.056 114 1HD2 LEU 17 1HD2 LEU 17 1.773 1.449 2.251 115 2HD2 LEU 17 2HD2 LEU 17 2.505 2.678 3.281 116 3HD2 LEU 17 3HD2 LEU 17 3.526 1.642 2.285 117 H ARG 18 H ARG 18 6.174 1.044 1.167 118 HA ARG 18 HA ARG 18 5.719 -1.540 -0.175 119 1HB ARG 18 2HB ARG 18 8.044 -1.220 1.628 120 2HB ARG 18 1HB ARG 18 7.951 -1.931 0.022 121 1HG ARG 18 2HG ARG 18 7.559 0.556 -0.750 122 2HG ARG 18 1HG ARG 18 8.341 0.940 0.783 123 1HD ARG 18 2HD ARG 18 10.080 -0.894 -0.064 124 2HD ARG 18 1HD ARG 18 9.462 -0.401 -1.637 125 HE ARG 18 HE ARG 18 10.013 1.979 -0.546 126 1HH1 ARG 18 1HH2 ARG 18 11.901 0.397 -2.439 127 2HH1 ARG 18 2HH2 ARG 18 13.402 0.550 -1.588 128 1HH2 ARG 18 1HH1 ARG 18 11.921 1.585 1.372 129 2HH2 ARG 18 2HH1 ARG 18 13.413 1.222 0.570 130 H LEU 19 H LEU 19 4.769 -3.157 0.916 131 HA LEU 19 HA LEU 19 4.980 -3.260 3.826 132 1HB LEU 19 2HB LEU 19 2.551 -3.418 4.145 133 2HB LEU 19 1HB LEU 19 3.003 -1.857 3.464 134 HG LEU 19 HG LEU 19 2.398 -3.984 1.485 135 1HD1 LEU 19 1HD1 LEU 19 -0.091 -3.522 1.764 136 2HD1 LEU 19 2HD1 LEU 19 0.299 -2.830 3.338 137 3HD1 LEU 19 3HD1 LEU 19 0.632 -4.532 3.017 138 1HD2 LEU 19 1HD2 LEU 19 1.703 -1.055 1.853 139 2HD2 LEU 19 2HD2 LEU 19 1.137 -2.018 0.489 140 3HD2 LEU 19 3HD2 LEU 19 2.864 -1.743 0.718 141 H TYR 20 H TYR 20 3.599 -5.147 4.644 142 HA TYR 20 HA TYR 20 4.153 -7.510 2.961 143 1HB TYR 20 2HB TYR 20 5.320 -7.309 5.196 144 2HB TYR 20 1HB TYR 20 3.737 -7.382 5.955 145 HD1 TYR 20 HD1 TYR 20 2.766 -9.438 6.462 146 HD2 TYR 20 HD2 TYR 20 5.918 -9.265 3.551 147 HE1 TYR 20 HE1 TYR 20 2.805 -11.908 6.368 148 HE2 TYR 20 HE2 TYR 20 5.953 -11.744 3.448 149 HH TYR 20 HH TYR 20 3.548 -13.687 5.150 150 H ILE 21 H ILE 21 2.214 -7.522 1.816 151 HA ILE 21 HA ILE 21 -0.318 -7.253 3.130 152 HB ILE 21 HB ILE 21 0.371 -6.758 0.657 153 1HG1 ILE 21 2HG1 ILE 21 -2.125 -7.528 0.056 154 2HG1 ILE 21 1HG1 ILE 21 -2.199 -7.758 1.805 155 1HG2 ILE 21 1HG2 ILE 21 1.122 -8.931 0.002 156 2HG2 ILE 21 2HG2 ILE 21 -0.372 -8.594 -0.866 157 3HG2 ILE 21 3HG2 ILE 21 -0.389 -9.677 0.525 158 1HD1 ILE 21 1HD1 ILE 21 -1.084 -5.355 1.837 159 2HD1 ILE 21 2HD1 ILE 21 -2.828 -5.532 1.650 160 3HD1 ILE 21 3HD1 ILE 21 -1.816 -5.234 0.237 161 H GLN 22 H GLN 22 -1.700 -8.756 3.837 162 HA GLN 22 HA GLN 22 -0.941 -11.603 3.565 163 1HB GLN 22 2HB GLN 22 -0.853 -10.137 5.912 164 2HB GLN 22 1HB GLN 22 -2.427 -10.922 6.001 165 1HG GLN 22 2HG GLN 22 0.170 -12.367 5.408 166 2HG GLN 22 1HG GLN 22 -0.590 -12.296 6.995 167 1HE2 GLN 22 1HE2 GLN 22 -2.248 -13.803 7.425 168 2HE2 GLN 22 2HE2 GLN 22 -2.903 -14.849 6.259 169 HA PRO 23 HA PRO 23 -5.199 -11.160 2.000 170 1HB PRO 23 2HB PRO 23 -4.712 -13.437 0.305 171 2HB PRO 23 1HB PRO 23 -4.897 -11.738 -0.162 172 1HG PRO 23 2HG PRO 23 -2.561 -13.212 -0.315 173 2HG PRO 23 1HG PRO 23 -2.683 -11.447 -0.365 174 1HD PRO 23 2HD PRO 23 -1.836 -13.211 1.879 175 2HD PRO 23 1HD PRO 23 -1.370 -11.533 1.519 176 H LYS 24 H LYS 24 -7.058 -12.506 2.147 177 HA LYS 24 HA LYS 24 -8.410 -14.151 3.004 178 1HB LYS 24 2HB LYS 24 -5.888 -15.747 3.511 179 2HB LYS 24 1HB LYS 24 -7.539 -16.355 3.485 180 1HG LYS 24 2HG LYS 24 -7.751 -15.814 1.118 181 2HG LYS 24 1HG LYS 24 -6.149 -15.077 1.112 182 1HD LYS 24 2HD LYS 24 -6.452 -17.917 2.041 183 2HD LYS 24 1HD LYS 24 -6.442 -17.571 0.313 184 1HE LYS 24 2HE LYS 24 -4.286 -16.347 0.604 185 2HE LYS 24 1HE LYS 24 -4.286 -16.808 2.308 186 1HZ LYS 24 1HZ LYS 24 -4.280 -19.125 1.656 187 2HZ LYS 24 2HZ LYS 24 -2.955 -18.319 0.964 188 3HZ LYS 24 3HZ LYS 24 -4.314 -18.696 0.016 189 H ALA 25 H ALA 25 -7.819 -12.035 4.625 190 HA ALA 25 HA ALA 25 -7.089 -13.126 7.246 191 1HB ALA 25 1HB ALA 25 -7.879 -10.273 6.819 192 2HB ALA 25 2HB ALA 25 -6.350 -10.825 6.137 193 3HB ALA 25 3HB ALA 25 -6.639 -10.955 7.873 194 H SER 26 H SER 26 -9.511 -10.843 6.091 195 HA SER 26 HA SER 26 -11.901 -12.018 6.439 196 1HB SER 26 2HB SER 26 -12.522 -11.350 8.846 197 2HB SER 26 1HB SER 26 -11.535 -12.794 8.658 198 HG SER 26 HG SER 26 -10.743 -10.179 9.404 199 H ARG 27 H ARG 27 -9.836 -9.359 7.034 200 HA ARG 27 HA ARG 27 -11.520 -7.481 5.725 201 1HB ARG 27 2HB ARG 27 -12.762 -7.487 7.822 202 2HB ARG 27 1HB ARG 27 -11.280 -7.209 8.732 203 1HG ARG 27 2HG ARG 27 -10.993 -5.030 7.691 204 2HG ARG 27 1HG ARG 27 -12.372 -5.317 6.629 205 1HD ARG 27 2HD ARG 27 -12.565 -5.284 9.652 206 2HD ARG 27 1HD ARG 27 -12.884 -3.878 8.642 207 HE ARG 27 HE ARG 27 -14.490 -5.850 7.597 208 1HH1 ARG 27 1HH1 ARG 27 -14.543 -3.535 10.040 209 2HH1 ARG 27 2HH1 ARG 27 -15.935 -4.163 10.858 210 1HH2 ARG 27 1HH2 ARG 27 -16.081 -7.054 8.952 211 2HH2 ARG 27 2HH2 ARG 27 -16.804 -6.153 10.243 212 H ASP 28 H ASP 28 -10.319 -5.760 5.072 213 HA ASP 28 HA ASP 28 -7.496 -5.921 5.322 214 1HB ASP 28 2HB ASP 28 -8.208 -3.317 4.453 215 2HB ASP 28 1HB ASP 28 -7.581 -4.656 3.504 216 H SER 29 H SER 29 -6.913 -5.808 7.386 217 HA SER 29 HA SER 29 -7.306 -3.202 8.747 218 1HB SER 29 2HB SER 29 -7.315 -5.987 9.903 219 2HB SER 29 1HB SER 29 -7.080 -4.550 10.893 220 HG SER 29 HG SER 29 -9.342 -5.543 10.249 221 H ILE 30 H ILE 30 -5.532 -2.140 9.292 222 HA ILE 30 HA ILE 30 -2.912 -3.354 8.866 223 HB ILE 30 HB ILE 30 -2.446 -0.804 9.831 224 1HG1 ILE 30 2HG1 ILE 30 -5.026 -0.789 8.223 225 2HG1 ILE 30 1HG1 ILE 30 -4.850 -0.285 9.904 226 1HG2 ILE 30 1HG2 ILE 30 -1.562 -1.973 7.772 227 2HG2 ILE 30 2HG2 ILE 30 -1.932 -0.265 7.541 228 3HG2 ILE 30 3HG2 ILE 30 -3.045 -1.496 6.944 229 1HD1 ILE 30 1HD1 ILE 30 -4.027 1.116 7.404 230 2HD1 ILE 30 2HD1 ILE 30 -2.964 1.287 8.803 231 3HD1 ILE 30 3HD1 ILE 30 -4.652 1.781 8.913 232 H VAL 31 H VAL 31 -3.701 -4.824 10.702 233 HA VAL 31 HA VAL 31 -3.304 -3.751 13.390 234 HB VAL 31 HB VAL 31 -3.797 -6.242 13.923 235 1HG1 VAL 31 1HG1 VAL 31 -5.382 -4.572 14.520 236 2HG1 VAL 31 2HG1 VAL 31 -6.292 -5.721 13.540 237 3HG1 VAL 31 3HG1 VAL 31 -5.740 -4.202 12.834 238 1HG2 VAL 31 1HG2 VAL 31 -4.906 -7.497 12.247 239 2HG2 VAL 31 2HG2 VAL 31 -3.509 -6.808 11.419 240 3HG2 VAL 31 3HG2 VAL 31 -5.105 -6.086 11.209 241 H GLY 32 H GLY 32 -1.082 -4.335 11.307 242 1HA GLY 32 2HA GLY 32 0.704 -5.653 13.235 243 2HA GLY 32 1HA GLY 32 0.600 -6.309 11.602 244 H LEU 33 H LEU 33 0.274 -2.923 12.223 245 HA LEU 33 HA LEU 33 2.287 -2.156 10.411 246 1HB LEU 33 2HB LEU 33 0.840 -0.731 12.638 247 2HB LEU 33 1HB LEU 33 2.013 0.091 11.606 248 HG LEU 33 HG LEU 33 -0.641 -1.133 10.857 249 1HD1 LEU 33 1HD1 LEU 33 -1.100 1.027 9.974 250 2HD1 LEU 33 2HD1 LEU 33 0.602 1.488 10.000 251 3HD1 LEU 33 3HD1 LEU 33 -0.292 1.326 11.511 252 1HD2 LEU 33 1HD2 LEU 33 0.717 -2.079 9.170 253 2HD2 LEU 33 2HD2 LEU 33 1.782 -0.672 9.115 254 3HD2 LEU 33 3HD2 LEU 33 0.153 -0.573 8.445 255 H HIS 34 H HIS 34 4.357 -2.628 10.657 256 HA HIS 34 HA HIS 34 5.509 -2.697 13.353 257 1HB HIS 34 2HB HIS 34 5.782 -4.671 11.913 258 2HB HIS 34 1HB HIS 34 6.610 -3.688 10.716 259 HD1 HIS 34 HD1 HIS 34 7.267 -3.087 14.350 260 HD2 HIS 34 HD2 HIS 34 9.063 -5.114 11.181 261 HE1 HIS 34 HE1 HIS 34 9.595 -3.713 15.126 262 H GLY 35 H GLY 35 7.484 -1.651 13.850 263 1HA GLY 35 2HA GLY 35 7.704 1.004 12.857 264 2HA GLY 35 1HA GLY 35 8.827 0.217 13.962 265 H ASP 36 H ASP 36 8.934 -1.977 11.751 266 HA ASP 36 HA ASP 36 10.876 -0.579 10.006 267 1HB ASP 36 2HB ASP 36 11.043 -3.437 10.992 268 2HB ASP 36 1HB ASP 36 12.231 -2.595 9.998 269 H GLU 37 H GLU 37 8.103 -2.567 10.259 270 HA GLU 37 HA GLU 37 8.043 -2.862 7.327 271 1HB GLU 37 2HB GLU 37 7.883 -5.042 9.372 272 2HB GLU 37 1HB GLU 37 6.909 -5.179 7.909 273 1HG GLU 37 2HG GLU 37 8.839 -5.068 6.500 274 2HG GLU 37 1HG GLU 37 9.872 -4.572 7.839 275 H VAL 38 H VAL 38 5.701 -4.057 6.943 276 HA VAL 38 HA VAL 38 3.657 -2.708 8.563 277 HB VAL 38 HB VAL 38 4.146 -2.306 5.618 278 1HG1 VAL 38 1HG1 VAL 38 1.882 -1.350 5.438 279 2HG1 VAL 38 2HG1 VAL 38 1.548 -1.817 7.103 280 3HG1 VAL 38 3HG1 VAL 38 1.796 -3.055 5.877 281 1HG2 VAL 38 1HG2 VAL 38 3.620 0.073 6.330 282 2HG2 VAL 38 2HG2 VAL 38 5.090 -0.607 7.026 283 3HG2 VAL 38 3HG2 VAL 38 3.621 -0.509 7.995 284 H LYS 39 H LYS 39 2.398 -4.368 9.203 285 HA LYS 39 HA LYS 39 1.914 -6.521 7.242 286 1HB LYS 39 2HB LYS 39 2.240 -6.517 10.203 287 2HB LYS 39 1HB LYS 39 1.155 -7.711 9.486 288 1HG LYS 39 2HG LYS 39 3.163 -8.021 7.792 289 2HG LYS 39 1HG LYS 39 4.099 -7.355 9.122 290 1HD LYS 39 2HD LYS 39 4.084 -9.794 9.285 291 2HD LYS 39 1HD LYS 39 3.156 -9.116 10.620 292 1HE LYS 39 2HE LYS 39 1.202 -10.005 9.878 293 2HE LYS 39 1HE LYS 39 1.566 -9.635 8.192 294 1HZ LYS 39 1HZ LYS 39 3.316 -11.512 8.509 295 2HZ LYS 39 2HZ LYS 39 1.693 -11.903 8.194 296 3HZ LYS 39 3HZ LYS 39 2.300 -11.993 9.779 297 H VAL 40 H VAL 40 0.093 -6.220 6.232 298 HA VAL 40 HA VAL 40 -2.304 -5.459 7.792 299 HB VAL 40 HB VAL 40 -1.516 -3.685 6.183 300 1HG1 VAL 40 1HG1 VAL 40 -2.434 -5.600 4.029 301 2HG1 VAL 40 2HG1 VAL 40 -0.736 -5.425 4.470 302 3HG1 VAL 40 3HG1 VAL 40 -1.628 -4.046 3.829 303 1HG2 VAL 40 1HG2 VAL 40 -3.776 -3.407 5.118 304 2HG2 VAL 40 2HG2 VAL 40 -3.851 -3.751 6.846 305 3HG2 VAL 40 3HG2 VAL 40 -4.190 -5.027 5.677 306 H ALA 41 H ALA 41 -3.979 -6.834 7.672 307 HA ALA 41 HA ALA 41 -3.660 -9.181 5.932 308 1HB ALA 41 1HB ALA 41 -5.862 -9.114 7.905 309 2HB ALA 41 2HB ALA 41 -4.232 -9.081 8.580 310 3HB ALA 41 3HB ALA 41 -4.723 -10.405 7.522 311 H ILE 42 H ILE 42 -4.478 -8.630 3.966 312 HA ILE 42 HA ILE 42 -6.993 -7.181 3.776 313 HB ILE 42 HB ILE 42 -5.121 -6.776 2.174 314 1HG1 ILE 42 2HG1 ILE 42 -7.572 -7.951 0.825 315 2HG1 ILE 42 1HG1 ILE 42 -7.546 -6.368 1.601 316 1HG2 ILE 42 1HG2 ILE 42 -4.448 -9.234 2.107 317 2HG2 ILE 42 2HG2 ILE 42 -4.509 -8.421 0.544 318 3HG2 ILE 42 3HG2 ILE 42 -5.823 -9.491 1.031 319 1HD1 ILE 42 1HD1 ILE 42 -5.321 -6.820 -0.281 320 2HD1 ILE 42 2HD1 ILE 42 -6.374 -5.418 -0.099 321 3HD1 ILE 42 3HD1 ILE 42 -6.915 -6.813 -1.032 322 H THR 43 H THR 43 -8.898 -8.035 2.880 323 HA THR 43 HA THR 43 -9.210 -10.920 3.338 324 HB THR 43 HB THR 43 -10.761 -9.358 4.462 325 HG1 THR 43 HG1 THR 43 -11.329 -11.530 3.373 326 1HG2 THR 43 1HG2 THR 43 -12.180 -8.765 1.922 327 2HG2 THR 43 2HG2 THR 43 -10.683 -7.878 2.202 328 3HG2 THR 43 3HG2 THR 43 -11.999 -7.774 3.369 329 H ALA 44 H ALA 44 -7.775 -10.484 1.084 330 HA ALA 44 HA ALA 44 -9.720 -10.966 -1.088 331 1HB ALA 44 1HB ALA 44 -8.295 -9.867 -2.602 332 2HB ALA 44 2HB ALA 44 -6.923 -9.932 -1.497 333 3HB ALA 44 3HB ALA 44 -8.273 -8.853 -1.164 334 HA PRO 45 HA PRO 45 -8.226 -15.107 -1.590 335 1HB PRO 45 2HB PRO 45 -8.225 -14.965 -4.453 336 2HB PRO 45 1HB PRO 45 -9.469 -15.665 -3.406 337 1HG PRO 45 2HG PRO 45 -9.438 -13.120 -4.814 338 2HG PRO 45 1HG PRO 45 -10.797 -13.996 -4.095 339 1HD PRO 45 2HD PRO 45 -9.729 -11.655 -3.087 340 2HD PRO 45 1HD PRO 45 -10.666 -12.824 -2.135 341 HA PRO 46 HA PRO 46 -3.944 -14.777 -2.912 342 1HB PRO 46 2HB PRO 46 -3.733 -17.543 -3.736 343 2HB PRO 46 1HB PRO 46 -3.268 -16.836 -2.181 344 1HG PRO 46 2HG PRO 46 -5.324 -18.624 -2.539 345 2HG PRO 46 1HG PRO 46 -5.173 -17.508 -1.174 346 1HD PRO 46 2HD PRO 46 -6.875 -17.246 -3.639 347 2HD PRO 46 1HD PRO 46 -7.249 -16.799 -1.955 348 H VAL 47 H VAL 47 -4.366 -13.464 -4.824 349 HA VAL 47 HA VAL 47 -3.427 -14.585 -7.263 350 HB VAL 47 HB VAL 47 -5.812 -15.466 -7.174 351 1HG1 VAL 47 1HG1 VAL 47 -6.391 -12.507 -7.412 352 2HG1 VAL 47 2HG1 VAL 47 -7.013 -13.642 -6.214 353 3HG1 VAL 47 3HG1 VAL 47 -7.548 -13.746 -7.889 354 1HG2 VAL 47 1HG2 VAL 47 -4.309 -14.474 -9.306 355 2HG2 VAL 47 2HG2 VAL 47 -5.914 -13.789 -9.557 356 3HG2 VAL 47 3HG2 VAL 47 -5.712 -15.534 -9.424 357 H ASP 48 H ASP 48 -4.609 -12.673 -9.057 358 HA ASP 48 HA ASP 48 -3.212 -10.289 -8.123 359 1HB ASP 48 2HB ASP 48 -4.599 -10.511 -10.777 360 2HB ASP 48 1HB ASP 48 -3.176 -9.570 -10.346 361 H GLY 49 H GLY 49 -6.320 -10.746 -9.814 362 1HA GLY 49 2HA GLY 49 -7.504 -8.332 -9.374 363 2HA GLY 49 1HA GLY 49 -8.409 -9.838 -9.436 364 H GLN 50 H GLN 50 -7.038 -10.858 -7.008 365 HA GLN 50 HA GLN 50 -8.919 -10.046 -5.078 366 1HB GLN 50 2HB GLN 50 -7.385 -11.247 -3.475 367 2HB GLN 50 1HB GLN 50 -7.873 -12.189 -4.870 368 1HG GLN 50 2HG GLN 50 -5.688 -12.586 -5.185 369 2HG GLN 50 1HG GLN 50 -5.597 -10.945 -5.790 370 1HE2 GLN 50 1HE2 GLN 50 -6.265 -11.189 -2.367 371 2HE2 GLN 50 2HE2 GLN 50 -4.699 -10.817 -1.837 372 H ALA 51 H ALA 51 -5.422 -9.614 -4.817 373 HA ALA 51 HA ALA 51 -5.716 -7.440 -2.952 374 1HB ALA 51 1HB ALA 51 -3.242 -8.613 -4.245 375 2HB ALA 51 2HB ALA 51 -3.925 -9.107 -2.697 376 3HB ALA 51 3HB ALA 51 -3.258 -7.484 -2.890 377 H ASN 52 H ASN 52 -4.672 -7.817 -6.319 378 HA ASN 52 HA ASN 52 -3.660 -5.277 -6.805 379 1HB ASN 52 2HB ASN 52 -3.819 -7.376 -8.352 380 2HB ASN 52 1HB ASN 52 -5.348 -6.664 -8.865 381 1HD2 ASN 52 1HD2 ASN 52 -2.014 -6.645 -9.482 382 2HD2 ASN 52 2HD2 ASN 52 -1.934 -5.189 -10.350 383 H SER 53 H SER 53 -7.028 -6.369 -7.357 384 HA SER 53 HA SER 53 -8.008 -3.814 -8.070 385 1HB SER 53 2HB SER 53 -10.103 -4.795 -8.151 386 2HB SER 53 1HB SER 53 -9.067 -6.205 -8.341 387 HG SER 53 HG SER 53 -9.384 -6.710 -6.213 388 H HIS 54 H HIS 54 -8.131 -5.579 -4.970 389 HA HIS 54 HA HIS 54 -9.528 -3.647 -3.487 390 1HB HIS 54 2HB HIS 54 -7.653 -5.875 -2.819 391 2HB HIS 54 1HB HIS 54 -7.996 -4.684 -1.567 392 HD1 HIS 54 HD1 HIS 54 -10.816 -5.157 -3.863 393 HD2 HIS 54 HD2 HIS 54 -9.475 -6.932 -0.335 394 HE1 HIS 54 HE1 HIS 54 -12.768 -6.478 -2.940 395 H LEU 55 H LEU 55 -6.001 -4.146 -3.748 396 HA LEU 55 HA LEU 55 -5.111 -2.092 -2.147 397 1HB LEU 55 2HB LEU 55 -3.814 -3.865 -3.529 398 2HB LEU 55 1HB LEU 55 -3.775 -2.627 -4.779 399 HG LEU 55 HG LEU 55 -2.964 -1.075 -2.812 400 1HD1 LEU 55 1HD1 LEU 55 -1.798 -2.188 -1.044 401 2HD1 LEU 55 2HD1 LEU 55 -1.971 -3.759 -1.827 402 3HD1 LEU 55 3HD1 LEU 55 -3.381 -2.959 -1.137 403 1HD2 LEU 55 1HD2 LEU 55 -0.571 -2.068 -3.234 404 2HD2 LEU 55 2HD2 LEU 55 -1.468 -1.385 -4.590 405 3HD2 LEU 55 3HD2 LEU 55 -1.408 -3.133 -4.362 406 H VAL 56 H VAL 56 -5.582 -1.853 -5.684 407 HA VAL 56 HA VAL 56 -5.133 0.883 -5.927 408 HB VAL 56 HB VAL 56 -5.873 -1.175 -7.637 409 1HG1 VAL 56 1HG1 VAL 56 -8.002 0.973 -7.828 410 2HG1 VAL 56 2HG1 VAL 56 -8.282 -0.605 -7.092 411 3HG1 VAL 56 3HG1 VAL 56 -7.863 -0.492 -8.799 412 1HG2 VAL 56 1HG2 VAL 56 -5.590 1.812 -8.050 413 2HG2 VAL 56 2HG2 VAL 56 -5.726 0.670 -9.388 414 3HG2 VAL 56 3HG2 VAL 56 -4.359 0.568 -8.278 415 H LYS 57 H LYS 57 -7.798 -0.835 -4.584 416 HA LYS 57 HA LYS 57 -9.648 1.421 -4.694 417 1HB LYS 57 2HB LYS 57 -10.118 -1.209 -4.686 418 2HB LYS 57 1HB LYS 57 -10.149 -0.944 -2.943 419 1HG LYS 57 2HG LYS 57 -11.821 0.841 -3.241 420 2HG LYS 57 1HG LYS 57 -11.796 0.576 -4.982 421 1HD LYS 57 2HD LYS 57 -13.633 -0.718 -4.358 422 2HD LYS 57 1HD LYS 57 -12.340 -1.917 -4.317 423 1HE LYS 57 2HE LYS 57 -13.617 -2.133 -2.272 424 2HE LYS 57 1HE LYS 57 -12.058 -1.419 -1.863 425 1HZ LYS 57 1HZ LYS 57 -13.745 0.679 -2.509 426 2HZ LYS 57 2HZ LYS 57 -13.155 0.265 -0.971 427 3HZ LYS 57 3HZ LYS 57 -14.646 -0.348 -1.505 428 H PHE 58 H PHE 58 -8.386 -0.553 -2.008 429 HA PHE 58 HA PHE 58 -9.035 1.017 0.127 430 1HB PHE 58 2HB PHE 58 -7.678 -1.263 -0.126 431 2HB PHE 58 1HB PHE 58 -6.304 -0.189 0.114 432 HD1 PHE 58 HD1 PHE 58 -5.690 0.461 2.289 433 HD2 PHE 58 HD2 PHE 58 -9.652 -1.041 1.565 434 HE1 PHE 58 HE1 PHE 58 -6.141 0.472 4.725 435 HE2 PHE 58 HE2 PHE 58 -10.101 -1.026 4.003 436 HZ PHE 58 HZ PHE 58 -8.344 -0.271 5.583 437 H LEU 59 H LEU 59 -5.855 1.152 -1.505 438 HA LEU 59 HA LEU 59 -5.091 3.541 -0.148 439 1HB LEU 59 2HB LEU 59 -3.672 1.654 -1.404 440 2HB LEU 59 1HB LEU 59 -3.784 2.821 -2.723 441 HG LEU 59 HG LEU 59 -3.012 4.593 -1.071 442 1HD1 LEU 59 1HD1 LEU 59 -2.780 2.109 0.605 443 2HD1 LEU 59 2HD1 LEU 59 -3.354 3.712 1.063 444 3HD1 LEU 59 3HD1 LEU 59 -1.630 3.425 0.841 445 1HD2 LEU 59 1HD2 LEU 59 -1.457 3.697 -2.702 446 2HD2 LEU 59 2HD2 LEU 59 -1.201 2.252 -1.724 447 3HD2 LEU 59 3HD2 LEU 59 -0.621 3.817 -1.154 448 H GLY 60 H GLY 60 -6.182 2.894 -3.493 449 1HA GLY 60 2HA GLY 60 -5.984 5.428 -4.570 450 2HA GLY 60 1HA GLY 60 -7.257 4.287 -4.993 451 H LYS 61 H LYS 61 -8.299 4.219 -2.233 452 HA LYS 61 HA LYS 61 -10.060 6.509 -2.441 453 1HB LYS 61 2HB LYS 61 -10.070 3.920 -1.118 454 2HB LYS 61 1HB LYS 61 -10.583 5.201 -0.025 455 1HG LYS 61 2HG LYS 61 -12.546 4.423 -1.160 456 2HG LYS 61 1HG LYS 61 -12.144 5.999 -1.842 457 1HD LYS 61 2HD LYS 61 -10.923 4.807 -3.695 458 2HD LYS 61 1HD LYS 61 -11.533 3.283 -3.050 459 1HE LYS 61 2HE LYS 61 -13.367 5.571 -3.794 460 2HE LYS 61 1HE LYS 61 -12.896 4.324 -4.948 461 1HZ LYS 61 1HZ LYS 61 -15.012 4.110 -3.376 462 2HZ LYS 61 2HZ LYS 61 -13.851 3.398 -2.362 463 3HZ LYS 61 3HZ LYS 61 -14.128 2.766 -3.913 464 H GLN 62 H GLN 62 -8.140 5.201 0.265 465 HA GLN 62 HA GLN 62 -8.340 7.456 1.895 466 1HB GLN 62 2HB GLN 62 -6.191 5.326 1.765 467 2HB GLN 62 1HB GLN 62 -6.317 6.522 3.056 468 1HG GLN 62 2HG GLN 62 -8.646 4.747 2.313 469 2HG GLN 62 1HG GLN 62 -7.419 4.230 3.469 470 1HE2 GLN 62 1HE2 GLN 62 -7.172 5.566 5.467 471 2HE2 GLN 62 2HE2 GLN 62 -8.475 6.509 6.009 472 H PHE 63 H PHE 63 -5.964 6.692 -0.624 473 HA PHE 63 HA PHE 63 -4.424 9.075 0.013 474 1HB PHE 63 2HB PHE 63 -4.010 6.645 -1.561 475 2HB PHE 63 1HB PHE 63 -3.457 8.094 -2.385 476 HD1 PHE 63 HD1 PHE 63 -1.592 9.389 -1.557 477 HD2 PHE 63 HD2 PHE 63 -3.106 6.043 0.672 478 HE1 PHE 63 HE1 PHE 63 0.406 9.458 -0.093 479 HE2 PHE 63 HE2 PHE 63 -1.106 6.111 2.134 480 HZ PHE 63 HZ PHE 63 0.652 7.819 1.752 481 H ARG 64 H ARG 64 -7.034 8.128 -1.947 482 HA ARG 64 HA ARG 64 -8.322 9.194 -3.499 483 1HB ARG 64 2HB ARG 64 -7.351 11.199 -1.643 484 2HB ARG 64 1HB ARG 64 -7.696 11.887 -3.226 485 1HG ARG 64 2HG ARG 64 -9.939 10.802 -3.180 486 2HG ARG 64 1HG ARG 64 -9.590 10.202 -1.559 487 1HD ARG 64 2HD ARG 64 -10.366 12.907 -2.435 488 2HD ARG 64 1HD ARG 64 -10.593 12.122 -0.878 489 HE ARG 64 HE ARG 64 -7.989 12.610 -0.752 490 1HH1 ARG 64 1HH2 ARG 64 -10.199 14.601 -2.490 491 2HH1 ARG 64 2HH2 ARG 64 -9.576 16.088 -1.862 492 1HH2 ARG 64 1HH1 ARG 64 -7.335 14.557 0.292 493 2HH2 ARG 64 2HH1 ARG 64 -7.957 16.064 -0.291 494 H VAL 65 H VAL 65 -5.184 8.798 -4.023 495 HA VAL 65 HA VAL 65 -4.618 10.766 -6.034 496 HB VAL 65 HB VAL 65 -3.343 8.046 -6.088 497 1HG1 VAL 65 1HG1 VAL 65 -2.914 10.199 -7.617 498 2HG1 VAL 65 2HG1 VAL 65 -1.590 9.146 -7.116 499 3HG1 VAL 65 3HG1 VAL 65 -1.892 10.653 -6.255 500 1HG2 VAL 65 1HG2 VAL 65 -3.528 9.563 -3.726 501 2HG2 VAL 65 2HG2 VAL 65 -1.941 9.946 -4.383 502 3HG2 VAL 65 3HG2 VAL 65 -2.376 8.270 -4.056 503 H ALA 66 H ALA 66 -3.702 8.535 -7.912 504 HA ALA 66 HA ALA 66 -6.311 8.040 -9.214 505 1HB ALA 66 1HB ALA 66 -4.606 9.832 -10.169 506 2HB ALA 66 2HB ALA 66 -5.511 8.769 -11.248 507 3HB ALA 66 3HB ALA 66 -3.837 8.395 -10.840 508 H LYS 67 H LYS 67 -6.397 6.175 -10.596 509 HA LYS 67 HA LYS 67 -5.056 3.890 -9.513 510 1HB LYS 67 2HB LYS 67 -6.217 2.651 -11.308 511 2HB LYS 67 1HB LYS 67 -7.323 3.725 -10.454 512 1HG LYS 67 2HG LYS 67 -6.967 5.438 -12.251 513 2HG LYS 67 1HG LYS 67 -6.000 4.254 -13.132 514 1HD LYS 67 2HD LYS 67 -7.945 2.717 -13.174 515 2HD LYS 67 1HD LYS 67 -8.910 3.934 -12.338 516 1HE LYS 67 2HE LYS 67 -8.230 5.511 -14.279 517 2HE LYS 67 1HE LYS 67 -7.770 4.036 -15.128 518 1HZ LYS 67 1HZ LYS 67 -10.398 5.046 -14.469 519 2HZ LYS 67 2HZ LYS 67 -10.187 3.386 -14.181 520 3HZ LYS 67 3HZ LYS 67 -9.913 4.023 -15.732 521 H SER 68 H SER 68 -4.512 6.107 -12.090 522 HA SER 68 HA SER 68 -2.519 4.478 -13.440 523 1HB SER 68 2HB SER 68 -3.345 5.760 -15.104 524 2HB SER 68 1HB SER 68 -4.040 6.919 -13.974 525 HG SER 68 HG SER 68 -1.903 7.215 -15.471 526 H GLN 69 H GLN 69 -2.668 6.698 -10.846 527 HA GLN 69 HA GLN 69 0.166 7.435 -11.076 528 1HB GLN 69 2HB GLN 69 -2.018 8.357 -9.193 529 2HB GLN 69 1HB GLN 69 -0.347 8.917 -9.130 530 1HG GLN 69 2HG GLN 69 -1.934 9.081 -11.690 531 2HG GLN 69 1HG GLN 69 -2.064 10.341 -10.465 532 1HE2 GLN 69 1HE2 GLN 69 0.092 8.886 -12.853 533 2HE2 GLN 69 2HE2 GLN 69 1.305 10.068 -12.738 534 H VAL 70 H VAL 70 -1.931 5.271 -9.417 535 HA VAL 70 HA VAL 70 0.114 4.656 -7.394 536 HB VAL 70 HB VAL 70 -2.195 5.060 -6.582 537 1HG1 VAL 70 1HG1 VAL 70 -3.144 2.463 -7.667 538 2HG1 VAL 70 2HG1 VAL 70 -3.047 3.795 -8.819 539 3HG1 VAL 70 3HG1 VAL 70 -4.036 3.955 -7.368 540 1HG2 VAL 70 1HG2 VAL 70 -0.723 3.579 -5.311 541 2HG2 VAL 70 2HG2 VAL 70 -1.183 2.210 -6.322 542 3HG2 VAL 70 3HG2 VAL 70 -2.372 2.957 -5.255 543 H VAL 71 H VAL 71 1.580 3.432 -8.466 544 HA VAL 71 HA VAL 71 0.575 1.030 -9.874 545 HB VAL 71 HB VAL 71 3.314 2.214 -10.260 546 1HG1 VAL 71 1HG1 VAL 71 2.870 -0.058 -11.113 547 2HG1 VAL 71 2HG1 VAL 71 3.098 1.079 -12.442 548 3HG1 VAL 71 3HG1 VAL 71 1.474 0.547 -12.005 549 1HG2 VAL 71 1HG2 VAL 71 1.796 4.048 -10.724 550 2HG2 VAL 71 2HG2 VAL 71 0.718 2.984 -11.632 551 3HG2 VAL 71 3HG2 VAL 71 2.316 3.372 -12.268 552 H ILE 72 H ILE 72 1.119 -0.914 -9.169 553 HA ILE 72 HA ILE 72 2.762 -1.205 -6.787 554 HB ILE 72 HB ILE 72 1.340 -3.303 -8.455 555 1HG1 ILE 72 2HG1 ILE 72 0.457 -2.031 -5.847 556 2HG1 ILE 72 1HG1 ILE 72 -0.110 -1.480 -7.422 557 1HG2 ILE 72 1HG2 ILE 72 3.122 -4.236 -7.052 558 2HG2 ILE 72 2HG2 ILE 72 1.552 -4.651 -6.366 559 3HG2 ILE 72 3HG2 ILE 72 2.512 -3.353 -5.654 560 1HD1 ILE 72 1HD1 ILE 72 -0.528 -4.195 -6.152 561 2HD1 ILE 72 2HD1 ILE 72 -0.820 -3.895 -7.865 562 3HD1 ILE 72 3HD1 ILE 72 -1.757 -3.031 -6.646 563 H GLU 73 H GLU 73 4.805 -0.683 -7.502 564 HA GLU 73 HA GLU 73 6.068 -1.565 -9.829 565 1HB GLU 73 2HB GLU 73 6.912 -0.406 -7.245 566 2HB GLU 73 1HB GLU 73 8.159 -1.298 -8.119 567 1HG GLU 73 2HG GLU 73 7.837 0.059 -10.095 568 2HG GLU 73 1HG GLU 73 6.431 0.847 -9.380 569 H LYS 74 H LYS 74 5.011 -3.467 -7.278 570 HA LYS 74 HA LYS 74 5.724 -5.904 -8.196 571 1HB LYS 74 2HB LYS 74 8.086 -4.577 -7.094 572 2HB LYS 74 1HB LYS 74 7.746 -6.112 -6.297 573 1HG LYS 74 2HG LYS 74 7.956 -7.345 -8.274 574 2HG LYS 74 1HG LYS 74 7.642 -5.946 -9.299 575 1HD LYS 74 2HD LYS 74 9.968 -6.298 -9.525 576 2HD LYS 74 1HD LYS 74 9.852 -4.994 -8.344 577 1HE LYS 74 2HE LYS 74 11.459 -6.725 -7.613 578 2HE LYS 74 1HE LYS 74 10.090 -6.616 -6.507 579 1HZ LYS 74 1HZ LYS 74 10.107 -8.530 -8.760 580 2HZ LYS 74 2HZ LYS 74 9.156 -8.557 -7.352 581 3HZ LYS 74 3HZ LYS 74 10.813 -8.920 -7.268 582 H GLY 75 H GLY 75 4.502 -7.249 -7.051 583 1HA GLY 75 2HA GLY 75 4.262 -8.158 -4.674 584 2HA GLY 75 1HA GLY 75 3.803 -6.504 -4.281 585 H GLU 76 H GLU 76 2.721 -6.890 -7.302 586 HA GLU 76 HA GLU 76 0.051 -6.698 -6.898 587 1HB GLU 76 2HB GLU 76 -0.300 -7.474 -9.133 588 2HB GLU 76 1HB GLU 76 1.254 -6.643 -9.111 589 1HG GLU 76 2HG GLU 76 2.398 -8.840 -8.855 590 2HG GLU 76 1HG GLU 76 0.833 -9.645 -8.964 591 H LEU 77 H LEU 77 1.915 -9.676 -6.620 592 HA LEU 77 HA LEU 77 -0.562 -11.055 -5.767 593 1HB LEU 77 2HB LEU 77 0.145 -11.842 -7.998 594 2HB LEU 77 1HB LEU 77 1.720 -12.276 -7.338 595 HG LEU 77 HG LEU 77 -0.548 -13.373 -5.808 596 1HD1 LEU 77 1HD1 LEU 77 -0.040 -14.297 -8.655 597 2HD1 LEU 77 2HD1 LEU 77 -1.513 -13.526 -8.067 598 3HD1 LEU 77 3HD1 LEU 77 -1.061 -15.127 -7.480 599 1HD2 LEU 77 1HD2 LEU 77 1.801 -14.754 -7.139 600 2HD2 LEU 77 2HD2 LEU 77 0.862 -15.324 -5.759 601 3HD2 LEU 77 3HD2 LEU 77 1.926 -13.929 -5.585 602 H GLY 78 H GLY 78 2.960 -10.818 -5.438 603 1HA GLY 78 2HA GLY 78 3.191 -12.736 -3.333 604 2HA GLY 78 1HA GLY 78 4.400 -11.547 -3.789 605 H ARG 79 H ARG 79 3.795 -12.301 -1.115 606 HA ARG 79 HA ARG 79 2.053 -10.513 0.222 607 1HB ARG 79 2HB ARG 79 4.589 -11.841 1.228 608 2HB ARG 79 1HB ARG 79 3.374 -11.061 2.243 609 1HG ARG 79 2HG ARG 79 1.873 -12.775 2.002 610 2HG ARG 79 1HG ARG 79 2.369 -13.119 0.345 611 1HD ARG 79 2HD ARG 79 4.327 -13.668 2.535 612 2HD ARG 79 1HD ARG 79 2.974 -14.777 2.344 613 HE ARG 79 HE ARG 79 3.881 -14.650 -0.171 614 1HH1 ARG 79 1HH2 ARG 79 6.376 -13.715 1.644 615 2HH1 ARG 79 2HH2 ARG 79 7.333 -15.152 1.522 616 1HH2 ARG 79 1HH1 ARG 79 4.769 -17.065 0.184 617 2HH2 ARG 79 2HH1 ARG 79 6.424 -17.048 0.695 618 H HIS 80 H HIS 80 5.299 -10.196 -1.023 619 HA HIS 80 HA HIS 80 5.964 -7.800 0.399 620 1HB HIS 80 2HB HIS 80 7.666 -7.532 -1.474 621 2HB HIS 80 1HB HIS 80 7.788 -9.030 -0.557 622 HD1 HIS 80 HD1 HIS 80 7.278 -11.222 -1.776 623 HD2 HIS 80 HD2 HIS 80 6.588 -7.855 -4.136 624 HE1 HIS 80 HE1 HIS 80 6.915 -12.065 -4.135 625 H LYS 81 H LYS 81 5.776 -5.638 -0.339 626 HA LYS 81 HA LYS 81 4.134 -5.245 -2.749 627 1HB LYS 81 2HB LYS 81 2.753 -5.370 -0.606 628 2HB LYS 81 1HB LYS 81 3.535 -3.870 -0.135 629 1HG LYS 81 2HG LYS 81 2.447 -2.629 -1.740 630 2HG LYS 81 1HG LYS 81 2.320 -3.990 -2.857 631 1HD LYS 81 2HD LYS 81 0.839 -4.120 -0.250 632 2HD LYS 81 1HD LYS 81 0.178 -3.129 -1.548 633 1HE LYS 81 2HE LYS 81 0.961 -6.042 -1.865 634 2HE LYS 81 1HE LYS 81 -0.684 -5.485 -1.567 635 1HZ LYS 81 1HZ LYS 81 0.762 -5.552 -4.001 636 2HZ LYS 81 2HZ LYS 81 0.262 -3.964 -3.662 637 3HZ LYS 81 3HZ LYS 81 -0.881 -5.218 -3.742 638 H GLN 82 H GLN 82 4.525 -3.377 -3.840 639 HA GLN 82 HA GLN 82 6.271 -1.350 -2.645 640 1HB GLN 82 2HB GLN 82 6.954 -2.292 -5.411 641 2HB GLN 82 1HB GLN 82 7.964 -1.463 -4.232 642 1HG GLN 82 2HG GLN 82 6.984 -4.228 -3.603 643 2HG GLN 82 1HG GLN 82 8.318 -4.034 -4.730 644 1HE2 GLN 82 1HE2 GLN 82 9.820 -1.986 -3.658 645 2HE2 GLN 82 2HE2 GLN 82 10.337 -2.381 -2.091 646 H ILE 83 H ILE 83 4.236 -0.223 -2.689 647 HA ILE 83 HA ILE 83 2.982 0.316 -5.240 648 HB ILE 83 HB ILE 83 2.524 1.439 -2.467 649 1HG1 ILE 83 2HG1 ILE 83 0.755 -0.401 -4.090 650 2HG1 ILE 83 1HG1 ILE 83 1.999 -1.023 -3.007 651 1HG2 ILE 83 1HG2 ILE 83 0.346 2.230 -3.510 652 2HG2 ILE 83 2HG2 ILE 83 1.064 1.887 -5.084 653 3HG2 ILE 83 3HG2 ILE 83 1.784 3.106 -4.031 654 1HD1 ILE 83 1HD1 ILE 83 0.738 0.821 -1.404 655 2HD1 ILE 83 2HD1 ILE 83 0.381 -0.906 -1.414 656 3HD1 ILE 83 3HD1 ILE 83 -0.604 0.204 -2.368 657 H LYS 84 H LYS 84 2.761 2.422 -6.141 658 HA LYS 84 HA LYS 84 4.836 4.368 -5.363 659 1HB LYS 84 2HB LYS 84 5.864 3.203 -7.168 660 2HB LYS 84 1HB LYS 84 4.368 3.162 -8.094 661 1HG LYS 84 2HG LYS 84 5.889 4.856 -9.001 662 2HG LYS 84 1HG LYS 84 4.454 5.624 -8.329 663 1HD LYS 84 2HD LYS 84 6.514 5.311 -6.298 664 2HD LYS 84 1HD LYS 84 7.126 6.207 -7.688 665 1HE LYS 84 2HE LYS 84 4.708 7.401 -7.409 666 2HE LYS 84 1HE LYS 84 5.017 6.956 -5.732 667 1HZ LYS 84 1HZ LYS 84 7.324 8.056 -7.013 668 2HZ LYS 84 2HZ LYS 84 6.582 8.499 -5.550 669 3HZ LYS 84 3HZ LYS 84 6.016 9.136 -7.020 670 H ILE 85 H ILE 85 3.569 5.999 -4.675 671 HA ILE 85 HA ILE 85 1.153 6.712 -6.183 672 HB ILE 85 HB ILE 85 2.206 7.520 -3.462 673 1HG1 ILE 85 2HG1 ILE 85 -0.365 6.643 -3.162 674 2HG1 ILE 85 1HG1 ILE 85 0.145 5.675 -4.546 675 1HG2 ILE 85 1HG2 ILE 85 -0.040 8.677 -5.122 676 2HG2 ILE 85 2HG2 ILE 85 1.230 9.531 -4.247 677 3HG2 ILE 85 3HG2 ILE 85 -0.074 8.743 -3.360 678 1HD1 ILE 85 1HD1 ILE 85 1.419 5.805 -1.805 679 2HD1 ILE 85 2HD1 ILE 85 2.241 5.100 -3.198 680 3HD1 ILE 85 3HD1 ILE 85 0.733 4.398 -2.616 681 H ILE 86 H ILE 86 1.686 7.911 -7.920 682 HA ILE 86 HA ILE 86 3.744 9.969 -7.766 683 HB ILE 86 HB ILE 86 1.857 9.303 -10.041 684 1HG1 ILE 86 2HG1 ILE 86 4.727 8.402 -9.697 685 2HG1 ILE 86 1HG1 ILE 86 3.359 7.404 -9.210 686 1HG2 ILE 86 1HG2 ILE 86 3.582 10.436 -11.405 687 2HG2 ILE 86 2HG2 ILE 86 4.504 10.785 -9.943 688 3HG2 ILE 86 3HG2 ILE 86 2.923 11.526 -10.186 689 1HD1 ILE 86 1HD1 ILE 86 4.217 6.925 -11.538 690 2HD1 ILE 86 2HD1 ILE 86 3.683 8.542 -11.998 691 3HD1 ILE 86 3HD1 ILE 86 2.505 7.343 -11.466 692 H ASN 87 H ASN 87 3.376 12.112 -7.493 693 HA ASN 87 HA ASN 87 2.246 14.032 -6.909 694 1HB ASN 87 2HB ASN 87 1.717 13.836 -9.367 695 2HB ASN 87 1HB ASN 87 0.198 13.066 -8.917 696 1HD2 ASN 87 1HD2 ASN 87 -1.481 14.560 -8.964 697 2HD2 ASN 87 2HD2 ASN 87 -1.352 16.186 -8.494 698 HA PRO 88 HA PRO 88 -0.564 11.728 -4.082 699 1HB PRO 88 2HB PRO 88 0.487 13.317 -1.922 700 2HB PRO 88 1HB PRO 88 0.693 11.585 -2.215 701 1HG PRO 88 2HG PRO 88 2.660 13.546 -2.417 702 2HG PRO 88 1HG PRO 88 2.763 11.883 -3.008 703 1HD PRO 88 2HD PRO 88 2.363 14.378 -4.530 704 2HD PRO 88 1HD PRO 88 2.955 12.798 -5.086 705 H GLN 89 H GLN 89 -2.501 12.381 -3.238 706 HA GLN 89 HA GLN 89 -3.137 15.268 -3.392 707 1HB GLN 89 2HB GLN 89 -4.289 14.014 -5.142 708 2HB GLN 89 1HB GLN 89 -4.906 12.870 -3.952 709 1HG GLN 89 2HG GLN 89 -6.590 14.599 -4.592 710 2HG GLN 89 1HG GLN 89 -6.210 14.622 -2.872 711 1HE2 GLN 89 1HE2 GLN 89 -6.079 16.753 -2.166 712 2HE2 GLN 89 2HE2 GLN 89 -5.382 18.029 -3.041 713 H GLN 90 H GLN 90 -3.381 12.285 -1.599 714 HA GLN 90 HA GLN 90 -4.148 13.770 0.793 715 1HB GLN 90 2HB GLN 90 -6.266 12.917 -0.305 716 2HB GLN 90 1HB GLN 90 -5.663 11.283 -0.033 717 1HG GLN 90 2HG GLN 90 -5.584 11.656 2.369 718 2HG GLN 90 1HG GLN 90 -6.031 13.345 2.154 719 1HE2 GLN 90 1HE2 GLN 90 -8.283 13.815 1.530 720 2HE2 GLN 90 2HE2 GLN 90 -9.492 12.634 1.696 721 H ILE 91 H ILE 91 -2.798 13.184 2.336 722 HA ILE 91 HA ILE 91 -1.617 10.473 2.255 723 HB ILE 91 HB ILE 91 0.054 12.203 1.825 724 1HG1 ILE 91 2HG1 ILE 91 0.618 11.461 4.667 725 2HG1 ILE 91 1HG1 ILE 91 0.337 10.149 3.524 726 1HG2 ILE 91 1HG2 ILE 91 -0.225 13.351 4.564 727 2HG2 ILE 91 2HG2 ILE 91 -1.407 13.860 3.357 728 3HG2 ILE 91 3HG2 ILE 91 0.313 14.119 3.069 729 1HD1 ILE 91 1HD1 ILE 91 2.105 10.972 2.067 730 2HD1 ILE 91 2HD1 ILE 91 2.749 10.786 3.699 731 3HD1 ILE 91 3HD1 ILE 91 2.334 12.389 3.093 732 HA PRO 92 HA PRO 92 -3.925 10.173 6.077 733 1HB PRO 92 2HB PRO 92 -2.924 7.492 6.437 734 2HB PRO 92 1HB PRO 92 -4.543 8.004 5.940 735 1HG PRO 92 2HG PRO 92 -2.640 6.734 4.349 736 2HG PRO 92 1HG PRO 92 -4.121 7.524 3.797 737 1HD PRO 92 2HD PRO 92 -1.329 8.457 3.599 738 2HD PRO 92 1HD PRO 92 -2.757 8.956 2.669 739 HA PRO 93 HA PRO 93 -0.924 11.276 9.130 740 1HB PRO 93 2HB PRO 93 -2.291 9.879 11.242 741 2HB PRO 93 1HB PRO 93 -2.293 11.614 10.898 742 1HG PRO 93 2HG PRO 93 -4.325 9.622 10.339 743 2HG PRO 93 1HG PRO 93 -4.439 11.385 10.312 744 1HD PRO 93 2HD PRO 93 -4.499 9.770 8.061 745 2HD PRO 93 1HD PRO 93 -4.072 11.493 8.056 746 H GLU 94 H GLU 94 -1.965 7.985 8.660 747 HA GLU 94 HA GLU 94 -0.157 6.623 10.333 748 1HB GLU 94 2HB GLU 94 -2.168 5.678 9.075 749 2HB GLU 94 1HB GLU 94 -1.125 5.631 7.654 750 1HG GLU 94 2HG GLU 94 -0.986 3.462 8.680 751 2HG GLU 94 1HG GLU 94 0.528 4.290 9.037 752 H VAL 95 H VAL 95 0.060 7.248 6.822 753 HA VAL 95 HA VAL 95 2.792 6.398 6.649 754 HB VAL 95 HB VAL 95 1.375 8.196 4.676 755 1HG1 VAL 95 1HG1 VAL 95 2.760 6.582 3.146 756 2HG1 VAL 95 2HG1 VAL 95 3.667 6.246 4.621 757 3HG1 VAL 95 3HG1 VAL 95 3.593 7.890 3.987 758 1HG2 VAL 95 1HG2 VAL 95 -0.232 6.496 4.928 759 2HG2 VAL 95 2HG2 VAL 95 0.986 5.263 5.252 760 3HG2 VAL 95 3HG2 VAL 95 0.775 5.884 3.616 761 H ALA 96 H ALA 96 1.169 9.249 7.570 762 HA ALA 96 HA ALA 96 3.276 11.116 7.005 763 1HB ALA 96 1HB ALA 96 1.263 11.687 9.121 764 2HB ALA 96 2HB ALA 96 0.666 11.450 7.478 765 3HB ALA 96 3HB ALA 96 1.848 12.716 7.814 766 H ALA 97 H ALA 97 2.556 8.886 9.546 767 HA ALA 97 HA ALA 97 3.949 10.123 11.676 768 1HB ALA 97 1HB ALA 97 3.990 7.858 12.672 769 2HB ALA 97 2HB ALA 97 3.430 7.189 11.139 770 3HB ALA 97 3HB ALA 97 2.393 8.282 12.055 771 H LEU 98 H LEU 98 5.056 8.553 8.821 772 HA LEU 98 HA LEU 98 7.762 8.211 9.952 773 1HB LEU 98 2HB LEU 98 6.602 7.144 7.368 774 2HB LEU 98 1HB LEU 98 8.207 6.791 8.007 775 HG LEU 98 HG LEU 98 5.630 6.176 9.484 776 1HD1 LEU 98 1HD1 LEU 98 5.729 4.810 7.472 777 2HD1 LEU 98 2HD1 LEU 98 6.136 3.805 8.863 778 3HD1 LEU 98 3HD1 LEU 98 7.412 4.392 7.797 779 1HD2 LEU 98 1HD2 LEU 98 8.563 5.653 9.968 780 2HD2 LEU 98 2HD2 LEU 98 7.336 4.597 10.669 781 3HD2 LEU 98 3HD2 LEU 98 7.361 6.311 11.079 782 H ILE 99 H ILE 99 5.902 10.207 7.884 783 HA ILE 99 HA ILE 99 8.317 11.277 6.564 784 HB ILE 99 HB ILE 99 5.370 11.443 5.923 785 1HG1 ILE 99 2HG1 ILE 99 7.681 10.697 4.122 786 2HG1 ILE 99 1HG1 ILE 99 6.950 9.511 5.203 787 1HG2 ILE 99 1HG2 ILE 99 6.257 12.854 3.930 788 2HG2 ILE 99 2HG2 ILE 99 7.659 13.161 4.954 789 3HG2 ILE 99 3HG2 ILE 99 6.053 13.664 5.483 790 1HD1 ILE 99 1HD1 ILE 99 4.769 9.848 4.174 791 2HD1 ILE 99 2HD1 ILE 99 5.947 9.486 2.912 792 3HD1 ILE 99 3HD1 ILE 99 5.409 11.146 3.166 793 H ASN 100 H ASN 100 5.583 12.154 8.603 794 HA ASN 100 HA ASN 100 6.263 14.954 8.724 795 1HB ASN 100 2HB ASN 100 3.965 13.704 9.116 796 2HB ASN 100 1HB ASN 100 4.541 13.630 10.776 797 1HD2 ASN 100 1HD2 ASN 100 2.269 15.249 9.776 798 2HD2 ASN 100 2HD2 ASN 100 2.659 16.868 10.104 799 H LEU 101 H LEU 101 7.614 12.222 10.061 800 HA LEU 101 HA LEU 101 8.169 12.382 12.646 801 1HB LEU 101 2HB LEU 101 9.879 11.816 10.307 802 2HB LEU 101 1HB LEU 101 10.754 12.203 11.787 803 HG LEU 101 HG LEU 101 8.479 10.224 11.816 804 1HD1 LEU 101 1HD1 LEU 101 11.389 9.717 11.130 805 2HD1 LEU 101 2HD1 LEU 101 9.984 9.366 10.124 806 3HD1 LEU 101 3HD1 LEU 101 10.258 8.450 11.604 807 1HD2 LEU 101 1HD2 LEU 101 10.980 10.179 13.494 808 2HD2 LEU 101 2HD2 LEU 101 9.368 9.578 13.886 809 3HD2 LEU 101 3HD2 LEU 101 9.688 11.313 13.888 810 H GLU 102 H GLU 102 10.811 13.905 10.941 811 HA GLU 102 HA GLU 102 12.144 15.668 11.664 812 1HB GLU 102 2HB GLU 102 9.527 17.153 11.409 813 2HB GLU 102 1HB GLU 102 11.151 17.752 11.071 814 1HG GLU 102 2HG GLU 102 11.359 16.095 9.231 815 2HG GLU 102 1HG GLU 102 9.710 15.560 9.546 816 H HIS 103 H HIS 103 11.075 14.215 13.913 817 HA HIS 103 HA HIS 103 9.915 15.839 15.883 818 1HB HIS 103 2HB HIS 103 10.350 13.283 15.879 819 2HB HIS 103 1HB HIS 103 11.934 13.702 16.530 820 HD1 HIS 103 HD1 HIS 103 8.339 14.784 17.272 821 HD2 HIS 103 HD2 HIS 103 11.834 13.716 19.280 822 HE1 HIS 103 HE1 HIS 103 7.812 14.915 19.746 823 H HIS 104 H HIS 104 13.340 15.127 15.242 824 HA HIS 104 HA HIS 104 14.227 17.060 17.210 825 1HB HIS 104 2HB HIS 104 16.513 16.468 16.153 826 2HB HIS 104 1HB HIS 104 15.666 15.213 17.054 827 HD1 HIS 104 HD1 HIS 104 14.354 13.400 15.604 828 HD2 HIS 104 HD2 HIS 104 16.891 15.894 13.434 829 HE1 HIS 104 HE1 HIS 104 14.673 12.305 13.343 830 H HIS 105 H HIS 105 14.036 19.150 16.757 831 HA HIS 105 HA HIS 105 15.228 20.207 14.317 832 1HB HIS 105 2HB HIS 105 13.133 21.650 13.954 833 2HB HIS 105 1HB HIS 105 13.041 19.966 13.449 834 HD1 HIS 105 HD1 HIS 105 10.427 20.047 13.788 835 HD2 HIS 105 HD2 HIS 105 12.636 20.635 17.275 836 HE1 HIS 105 HE1 HIS 105 8.806 19.788 15.717 837 H HIS 106 H HIS 106 15.208 20.235 17.450 838 HA HIS 106 HA HIS 106 16.006 23.026 17.652 839 1HB HIS 106 2HB HIS 106 13.700 23.313 18.207 840 2HB HIS 106 1HB HIS 106 13.693 21.869 19.220 841 HD1 HIS 106 HD1 HIS 106 15.102 25.388 19.125 842 HD2 HIS 106 HD2 HIS 106 14.551 22.287 21.856 843 HE1 HIS 106 HE1 HIS 106 15.689 26.327 21.403 844 H HIS 107 H HIS 107 17.537 23.354 19.215 845 HA HIS 107 HA HIS 107 18.058 21.291 21.211 846 1HB HIS 107 2HB HIS 107 19.299 20.687 19.058 847 2HB HIS 107 1HB HIS 107 20.276 22.128 19.333 848 HD1 HIS 107 HD1 HIS 107 22.216 20.184 19.562 849 HD2 HIS 107 HD2 HIS 107 19.462 20.463 22.679 850 HE1 HIS 107 HE1 HIS 107 23.244 18.976 21.536 851 H HIS 108 H HIS 108 20.895 22.819 20.917 852 HA HIS 108 HA HIS 108 20.446 24.538 23.156 853 1HB HIS 108 2HB HIS 108 22.793 24.091 21.309 854 2HB HIS 108 1HB HIS 108 22.835 25.272 22.618 855 HD1 HIS 108 HD1 HIS 108 23.832 21.954 22.033 856 HD2 HIS 108 HD2 HIS 108 21.776 23.776 25.168 857 HE1 HIS 108 HE1 HIS 108 24.070 20.418 24.033 Start of MODEL 9 1 HA MET 1 HA MET 1 17.729 0.195 18.783 2 1HB MET 1 2HB MET 1 20.537 0.286 17.696 3 2HB MET 1 1HB MET 1 19.601 1.773 17.851 4 1HG MET 1 2HG MET 1 20.872 1.483 19.886 5 2HG MET 1 1HG MET 1 19.177 1.168 20.258 6 1HE MET 1 1HE MET 1 19.867 -1.168 22.592 7 2HE MET 1 2HE MET 1 20.167 0.530 22.238 8 3HE MET 1 3HE MET 1 21.525 -0.576 22.437 9 H ASP 2 H ASP 2 19.341 -0.481 15.665 10 HA ASP 2 HA ASP 2 17.249 1.084 14.298 11 1HB ASP 2 2HB ASP 2 18.888 0.886 12.331 12 2HB ASP 2 1HB ASP 2 19.360 1.920 13.676 13 H GLY 3 H GLY 3 19.167 -1.322 12.650 14 1HA GLY 3 2HA GLY 3 18.605 -3.494 11.950 15 2HA GLY 3 1HA GLY 3 16.997 -3.279 12.632 16 H VAL 4 H VAL 4 18.279 -0.747 10.668 17 HA VAL 4 HA VAL 4 17.675 0.111 8.634 18 HB VAL 4 HB VAL 4 17.126 -2.763 7.854 19 1HG1 VAL 4 1HG1 VAL 4 16.364 -1.322 6.133 20 2HG1 VAL 4 2HG1 VAL 4 17.987 -1.786 5.627 21 3HG1 VAL 4 3HG1 VAL 4 17.708 -0.205 6.355 22 1HG2 VAL 4 1HG2 VAL 4 19.723 -1.185 7.870 23 2HG2 VAL 4 2HG2 VAL 4 19.509 -2.760 7.109 24 3HG2 VAL 4 3HG2 VAL 4 19.356 -2.600 8.857 25 H MET 5 H MET 5 15.874 1.289 9.003 26 HA MET 5 HA MET 5 13.262 -0.043 9.128 27 1HB MET 5 2HB MET 5 12.608 2.522 9.429 28 2HB MET 5 1HB MET 5 13.166 1.541 10.787 29 1HG MET 5 2HG MET 5 15.296 2.519 10.783 30 2HG MET 5 1HG MET 5 15.169 3.015 9.095 31 1HE MET 5 1HE MET 5 14.518 3.814 12.776 32 2HE MET 5 2HE MET 5 12.923 3.277 12.258 33 3HE MET 5 3HE MET 5 13.165 4.954 12.743 34 H SER 6 H SER 6 12.863 -0.592 7.012 35 HA SER 6 HA SER 6 12.461 1.687 5.216 36 1HB SER 6 2HB SER 6 12.861 -0.564 3.582 37 2HB SER 6 1HB SER 6 13.928 0.822 3.773 38 HG SER 6 HG SER 6 15.095 -0.975 4.322 39 H ALA 7 H ALA 7 10.433 1.936 4.807 40 HA ALA 7 HA ALA 7 8.709 -0.351 4.231 41 1HB ALA 7 1HB ALA 7 8.165 1.711 6.372 42 2HB ALA 7 2HB ALA 7 8.189 -0.043 6.542 43 3HB ALA 7 3HB ALA 7 6.892 0.738 5.637 44 H VAL 8 H VAL 8 9.430 3.070 4.151 45 HA VAL 8 HA VAL 8 7.935 3.275 1.682 46 HB VAL 8 HB VAL 8 6.675 5.224 2.315 47 1HG1 VAL 8 1HG1 VAL 8 6.461 3.222 4.584 48 2HG1 VAL 8 2HG1 VAL 8 5.737 3.003 2.989 49 3HG1 VAL 8 3HG1 VAL 8 5.202 4.323 4.029 50 1HG2 VAL 8 1HG2 VAL 8 6.835 5.896 4.842 51 2HG2 VAL 8 2HG2 VAL 8 8.071 6.474 3.724 52 3HG2 VAL 8 3HG2 VAL 8 8.407 5.098 4.776 53 H THR 9 H THR 9 8.345 5.383 0.577 54 HA THR 9 HA THR 9 10.790 6.756 1.372 55 HB THR 9 HB THR 9 10.589 4.880 -0.954 56 HG1 THR 9 HG1 THR 9 12.790 4.571 -0.236 57 1HG2 THR 9 1HG2 THR 9 12.660 6.088 -1.861 58 2HG2 THR 9 2HG2 THR 9 12.190 7.446 -0.839 59 3HG2 THR 9 3HG2 THR 9 11.115 6.895 -2.124 60 H VAL 10 H VAL 10 10.681 8.840 0.849 61 HA VAL 10 HA VAL 10 8.484 9.771 -0.850 62 HB VAL 10 HB VAL 10 9.264 12.050 0.074 63 1HG1 VAL 10 1HG1 VAL 10 8.096 9.835 1.771 64 2HG1 VAL 10 2HG1 VAL 10 7.237 11.110 0.907 65 3HG1 VAL 10 3HG1 VAL 10 8.190 11.503 2.338 66 1HG2 VAL 10 1HG2 VAL 10 11.478 10.830 0.872 67 2HG2 VAL 10 2HG2 VAL 10 10.497 10.422 2.279 68 3HG2 VAL 10 3HG2 VAL 10 10.770 12.112 1.854 69 H ASN 11 H ASN 11 9.171 9.526 -2.918 70 HA ASN 11 HA ASN 11 11.821 10.392 -3.744 71 1HB ASN 11 2HB ASN 11 9.463 9.345 -5.332 72 2HB ASN 11 1HB ASN 11 11.062 9.670 -5.997 73 1HD2 ASN 11 1HD2 ASN 11 9.312 7.090 -5.232 74 2HD2 ASN 11 2HD2 ASN 11 10.490 6.077 -4.547 75 H ASP 12 H ASP 12 11.226 11.434 -6.262 76 HA ASP 12 HA ASP 12 10.151 14.086 -5.535 77 1HB ASP 12 2HB ASP 12 12.537 13.720 -6.525 78 2HB ASP 12 1HB ASP 12 11.690 13.459 -8.047 79 H ASP 13 H ASP 13 9.008 11.353 -6.552 80 HA ASP 13 HA ASP 13 7.333 12.478 -8.716 81 1HB ASP 13 2HB ASP 13 8.819 10.646 -9.425 82 2HB ASP 13 1HB ASP 13 8.136 9.609 -8.177 83 H GLY 14 H GLY 14 7.445 11.024 -5.590 84 1HA GLY 14 2HA GLY 14 4.939 11.694 -4.731 85 2HA GLY 14 1HA GLY 14 4.717 10.123 -5.499 86 H LEU 15 H LEU 15 4.644 8.580 -4.008 87 HA LEU 15 HA LEU 15 6.806 8.414 -2.041 88 1HB LEU 15 2HB LEU 15 5.323 8.076 -0.165 89 2HB LEU 15 1HB LEU 15 4.931 9.613 -0.922 90 HG LEU 15 HG LEU 15 3.442 7.189 -1.841 91 1HD1 LEU 15 1HD1 LEU 15 3.464 7.073 0.662 92 2HD1 LEU 15 2HD1 LEU 15 1.858 7.377 0.001 93 3HD1 LEU 15 3HD1 LEU 15 2.785 8.701 0.705 94 1HD2 LEU 15 1HD2 LEU 15 2.929 9.239 -2.965 95 2HD2 LEU 15 2HD2 LEU 15 2.881 10.138 -1.452 96 3HD2 LEU 15 3HD2 LEU 15 1.607 8.982 -1.829 97 H VAL 16 H VAL 16 7.173 6.319 -1.233 98 HA VAL 16 HA VAL 16 6.024 4.185 -2.914 99 HB VAL 16 HB VAL 16 8.564 4.171 -1.269 100 1HG1 VAL 16 1HG1 VAL 16 9.085 2.164 -2.585 101 2HG1 VAL 16 2HG1 VAL 16 7.550 2.309 -3.440 102 3HG1 VAL 16 3HG1 VAL 16 7.569 1.941 -1.715 103 1HG2 VAL 16 1HG2 VAL 16 8.068 4.700 -4.214 104 2HG2 VAL 16 2HG2 VAL 16 9.656 4.333 -3.542 105 3HG2 VAL 16 3HG2 VAL 16 8.806 5.796 -3.045 106 H LEU 17 H LEU 17 5.135 2.357 -1.987 107 HA LEU 17 HA LEU 17 4.875 2.389 0.956 108 1HB LEU 17 2HB LEU 17 2.817 2.541 -1.052 109 2HB LEU 17 1HB LEU 17 2.638 1.041 -0.146 110 HG LEU 17 HG LEU 17 1.384 2.887 0.914 111 1HD1 LEU 17 1HD1 LEU 17 1.826 1.683 2.766 112 2HD1 LEU 17 2HD1 LEU 17 3.179 2.769 3.075 113 3HD1 LEU 17 3HD1 LEU 17 3.437 1.271 2.183 114 1HD2 LEU 17 1HD2 LEU 17 2.323 4.915 1.490 115 2HD2 LEU 17 2HD2 LEU 17 3.343 4.529 0.104 116 3HD2 LEU 17 3HD2 LEU 17 3.928 4.222 1.739 117 H ARG 18 H ARG 18 6.497 0.904 1.294 118 HA ARG 18 HA ARG 18 6.291 -1.746 0.024 119 1HB ARG 18 2HB ARG 18 8.432 -0.117 1.153 120 2HB ARG 18 1HB ARG 18 8.446 -1.757 1.793 121 1HG ARG 18 2HG ARG 18 8.039 -1.413 -1.141 122 2HG ARG 18 1HG ARG 18 9.658 -1.141 -0.501 123 1HD ARG 18 2HD ARG 18 8.084 -3.619 0.201 124 2HD ARG 18 1HD ARG 18 9.082 -3.540 -1.249 125 HE ARG 18 HE ARG 18 10.047 -3.486 1.528 126 1HH1 ARG 18 1HH2 ARG 18 11.742 -1.672 -0.139 127 2HH1 ARG 18 2HH2 ARG 18 12.955 -2.745 -0.754 128 1HH2 ARG 18 1HH1 ARG 18 11.161 -5.621 -0.022 129 2HH2 ARG 18 2HH1 ARG 18 12.626 -4.980 -0.688 130 H LEU 19 H LEU 19 4.979 -3.139 0.991 131 HA LEU 19 HA LEU 19 5.081 -3.342 3.931 132 1HB LEU 19 2HB LEU 19 2.623 -3.563 4.020 133 2HB LEU 19 1HB LEU 19 3.131 -1.974 3.455 134 HG LEU 19 HG LEU 19 2.827 -3.870 1.250 135 1HD1 LEU 19 1HD1 LEU 19 0.488 -3.360 3.109 136 2HD1 LEU 19 2HD1 LEU 19 1.062 -4.909 2.493 137 3HD1 LEU 19 3HD1 LEU 19 0.261 -3.772 1.410 138 1HD2 LEU 19 1HD2 LEU 19 2.968 -1.296 1.268 139 2HD2 LEU 19 2HD2 LEU 19 1.286 -1.326 1.799 140 3HD2 LEU 19 3HD2 LEU 19 1.730 -2.014 0.238 141 H TYR 20 H TYR 20 3.821 -5.240 4.707 142 HA TYR 20 HA TYR 20 4.463 -7.621 3.098 143 1HB TYR 20 2HB TYR 20 5.392 -7.231 5.479 144 2HB TYR 20 1HB TYR 20 3.753 -7.539 6.037 145 HD1 TYR 20 HD1 TYR 20 6.240 -9.039 3.642 146 HD2 TYR 20 HD2 TYR 20 3.261 -9.721 6.663 147 HE1 TYR 20 HE1 TYR 20 6.690 -11.477 3.540 148 HE2 TYR 20 HE2 TYR 20 3.708 -12.154 6.559 149 HH TYR 20 HH TYR 20 6.255 -13.463 4.439 150 H ILE 21 H ILE 21 2.663 -7.732 1.813 151 HA ILE 21 HA ILE 21 0.013 -7.312 2.760 152 HB ILE 21 HB ILE 21 1.335 -7.614 0.271 153 1HG1 ILE 21 2HG1 ILE 21 -0.344 -5.898 1.018 154 2HG1 ILE 21 1HG1 ILE 21 -0.646 -6.563 -0.584 155 1HG2 ILE 21 1HG2 ILE 21 -0.971 -9.542 0.621 156 2HG2 ILE 21 2HG2 ILE 21 0.679 -9.933 0.134 157 3HG2 ILE 21 3HG2 ILE 21 -0.359 -8.992 -0.938 158 1HD1 ILE 21 1HD1 ILE 21 -1.939 -7.853 1.796 159 2HD1 ILE 21 2HD1 ILE 21 -2.488 -7.795 0.121 160 3HD1 ILE 21 3HD1 ILE 21 -2.622 -6.365 1.145 161 H GLN 22 H GLN 22 -1.363 -8.621 3.686 162 HA GLN 22 HA GLN 22 -0.857 -11.538 3.669 163 1HB GLN 22 2HB GLN 22 -0.924 -9.732 5.902 164 2HB GLN 22 1HB GLN 22 -2.308 -10.818 6.015 165 1HG GLN 22 2HG GLN 22 0.530 -11.763 5.533 166 2HG GLN 22 1HG GLN 22 -0.218 -11.677 7.125 167 1HE2 GLN 22 1HE2 GLN 22 0.039 -14.089 7.220 168 2HE2 GLN 22 2HE2 GLN 22 -1.080 -15.076 6.405 169 HA PRO 23 HA PRO 23 -5.086 -10.810 2.083 170 1HB PRO 23 2HB PRO 23 -4.727 -13.092 0.356 171 2HB PRO 23 1HB PRO 23 -4.826 -11.381 -0.093 172 1HG PRO 23 2HG PRO 23 -2.572 -12.956 -0.297 173 2HG PRO 23 1HG PRO 23 -2.591 -11.188 -0.275 174 1HD PRO 23 2HD PRO 23 -1.897 -13.093 1.922 175 2HD PRO 23 1HD PRO 23 -1.262 -11.463 1.593 176 H LYS 24 H LYS 24 -7.009 -12.054 2.274 177 HA LYS 24 HA LYS 24 -8.412 -13.660 3.124 178 1HB LYS 24 2HB LYS 24 -5.975 -15.412 3.529 179 2HB LYS 24 1HB LYS 24 -7.659 -15.918 3.433 180 1HG LYS 24 2HG LYS 24 -7.790 -15.261 1.102 181 2HG LYS 24 1HG LYS 24 -6.175 -14.557 1.166 182 1HD LYS 24 2HD LYS 24 -6.580 -17.449 1.887 183 2HD LYS 24 1HD LYS 24 -6.470 -16.970 0.192 184 1HE LYS 24 2HE LYS 24 -4.306 -15.808 0.727 185 2HE LYS 24 1HE LYS 24 -4.400 -16.482 2.354 186 1HZ LYS 24 1HZ LYS 24 -3.129 -17.720 0.449 187 2HZ LYS 24 2HZ LYS 24 -4.681 -18.302 0.077 188 3HZ LYS 24 3HZ LYS 24 -4.011 -18.584 1.612 189 H ALA 25 H ALA 25 -7.834 -11.663 4.780 190 HA ALA 25 HA ALA 25 -6.981 -12.830 7.335 191 1HB ALA 25 1HB ALA 25 -7.599 -9.941 6.665 192 2HB ALA 25 2HB ALA 25 -5.999 -10.666 6.499 193 3HB ALA 25 3HB ALA 25 -6.756 -10.555 8.090 194 H SER 26 H SER 26 -9.492 -10.647 6.101 195 HA SER 26 HA SER 26 -11.807 -11.874 6.664 196 1HB SER 26 2HB SER 26 -10.478 -11.154 9.210 197 2HB SER 26 1HB SER 26 -12.161 -10.656 9.080 198 HG SER 26 HG SER 26 -12.268 -13.001 8.164 199 H ARG 27 H ARG 27 -9.925 -9.000 7.127 200 HA ARG 27 HA ARG 27 -11.724 -7.349 5.616 201 1HB ARG 27 2HB ARG 27 -11.553 -6.973 8.611 202 2HB ARG 27 1HB ARG 27 -11.982 -5.657 7.527 203 1HG ARG 27 2HG ARG 27 -13.760 -7.336 6.598 204 2HG ARG 27 1HG ARG 27 -13.507 -8.180 8.127 205 1HD ARG 27 2HD ARG 27 -14.469 -5.345 7.712 206 2HD ARG 27 1HD ARG 27 -15.316 -6.667 8.508 207 HE ARG 27 HE ARG 27 -12.796 -5.893 9.744 208 1HH1 ARG 27 1HH1 ARG 27 -15.592 -4.133 9.425 209 2HH1 ARG 27 2HH1 ARG 27 -16.013 -4.110 11.105 210 1HH2 ARG 27 1HH2 ARG 27 -13.618 -6.452 12.007 211 2HH2 ARG 27 2HH2 ARG 27 -14.893 -5.424 12.568 212 H ASP 28 H ASP 28 -10.686 -5.435 4.970 213 HA ASP 28 HA ASP 28 -7.857 -5.424 5.044 214 1HB ASP 28 2HB ASP 28 -9.118 -2.841 4.511 215 2HB ASP 28 1HB ASP 28 -7.976 -3.755 3.540 216 H SER 29 H SER 29 -7.190 -5.459 7.117 217 HA SER 29 HA SER 29 -7.586 -2.965 8.658 218 1HB SER 29 2HB SER 29 -8.440 -5.562 9.374 219 2HB SER 29 1HB SER 29 -7.065 -5.186 10.404 220 HG SER 29 HG SER 29 -9.505 -4.347 10.700 221 H ILE 30 H ILE 30 -5.758 -1.920 8.971 222 HA ILE 30 HA ILE 30 -3.187 -3.266 8.686 223 HB ILE 30 HB ILE 30 -2.593 -0.685 9.439 224 1HG1 ILE 30 2HG1 ILE 30 -5.197 -0.632 7.867 225 2HG1 ILE 30 1HG1 ILE 30 -4.988 -0.063 9.522 226 1HG2 ILE 30 1HG2 ILE 30 -3.308 -1.554 6.625 227 2HG2 ILE 30 2HG2 ILE 30 -1.820 -2.025 7.444 228 3HG2 ILE 30 3HG2 ILE 30 -2.133 -0.327 7.096 229 1HD1 ILE 30 1HD1 ILE 30 -3.170 1.498 8.566 230 2HD1 ILE 30 2HD1 ILE 30 -4.847 1.897 8.192 231 3HD1 ILE 30 3HD1 ILE 30 -3.839 1.103 6.981 232 H VAL 31 H VAL 31 -3.607 -4.644 10.506 233 HA VAL 31 HA VAL 31 -3.328 -3.388 13.154 234 HB VAL 31 HB VAL 31 -4.225 -6.189 12.436 235 1HG1 VAL 31 1HG1 VAL 31 -3.620 -6.469 14.633 236 2HG1 VAL 31 2HG1 VAL 31 -5.181 -5.704 14.921 237 3HG1 VAL 31 3HG1 VAL 31 -3.703 -4.744 14.985 238 1HG2 VAL 31 1HG2 VAL 31 -5.702 -4.161 11.764 239 2HG2 VAL 31 2HG2 VAL 31 -5.947 -3.944 13.496 240 3HG2 VAL 31 3HG2 VAL 31 -6.454 -5.442 12.717 241 H GLY 32 H GLY 32 -1.103 -4.099 11.103 242 1HA GLY 32 2HA GLY 32 0.618 -5.415 13.096 243 2HA GLY 32 1HA GLY 32 0.510 -6.119 11.485 244 H LEU 33 H LEU 33 0.242 -2.722 11.977 245 HA LEU 33 HA LEU 33 2.299 -2.061 10.167 246 1HB LEU 33 2HB LEU 33 0.900 -0.457 12.314 247 2HB LEU 33 1HB LEU 33 1.963 0.246 11.091 248 HG LEU 33 HG LEU 33 -0.693 -1.136 10.712 249 1HD1 LEU 33 1HD1 LEU 33 -0.787 1.263 11.067 250 2HD1 LEU 33 2HD1 LEU 33 -1.116 0.938 9.366 251 3HD1 LEU 33 3HD1 LEU 33 0.471 1.530 9.860 252 1HD2 LEU 33 1HD2 LEU 33 -0.096 -0.758 8.195 253 2HD2 LEU 33 2HD2 LEU 33 0.551 -2.184 9.009 254 3HD2 LEU 33 3HD2 LEU 33 1.575 -0.768 8.760 255 H HIS 34 H HIS 34 4.422 -1.976 10.424 256 HA HIS 34 HA HIS 34 5.504 -2.060 13.164 257 1HB HIS 34 2HB HIS 34 5.886 -4.078 11.750 258 2HB HIS 34 1HB HIS 34 6.781 -3.073 10.619 259 HD1 HIS 34 HD1 HIS 34 7.080 -2.482 14.312 260 HD2 HIS 34 HD2 HIS 34 9.263 -4.326 11.277 261 HE1 HIS 34 HE1 HIS 34 9.368 -2.980 15.277 262 H GLY 35 H GLY 35 7.526 -0.964 13.561 263 1HA GLY 35 2HA GLY 35 7.599 1.673 12.472 264 2HA GLY 35 1HA GLY 35 8.778 0.972 13.578 265 H ASP 36 H ASP 36 9.020 -1.327 11.574 266 HA ASP 36 HA ASP 36 10.854 0.045 9.699 267 1HB ASP 36 2HB ASP 36 11.062 -2.731 10.896 268 2HB ASP 36 1HB ASP 36 12.172 -2.046 9.711 269 H GLU 37 H GLU 37 8.101 -1.979 10.035 270 HA GLU 37 HA GLU 37 8.026 -2.345 7.114 271 1HB GLU 37 2HB GLU 37 7.961 -4.507 9.185 272 2HB GLU 37 1HB GLU 37 6.972 -4.693 7.740 273 1HG GLU 37 2HG GLU 37 9.918 -4.005 7.626 274 2HG GLU 37 1HG GLU 37 9.328 -5.664 7.600 275 H VAL 38 H VAL 38 5.713 -3.571 6.737 276 HA VAL 38 HA VAL 38 3.655 -2.303 8.401 277 HB VAL 38 HB VAL 38 4.081 -1.812 5.455 278 1HG1 VAL 38 1HG1 VAL 38 1.540 -2.258 6.859 279 2HG1 VAL 38 2HG1 VAL 38 1.855 -2.136 5.130 280 3HG1 VAL 38 3HG1 VAL 38 1.622 -0.676 6.086 281 1HG2 VAL 38 1HG2 VAL 38 3.451 0.529 6.258 282 2HG2 VAL 38 2HG2 VAL 38 4.977 -0.100 6.877 283 3HG2 VAL 38 3HG2 VAL 38 3.542 -0.108 7.900 284 H LYS 39 H LYS 39 2.419 -3.984 9.019 285 HA LYS 39 HA LYS 39 1.970 -6.131 7.041 286 1HB LYS 39 2HB LYS 39 2.795 -6.294 9.706 287 2HB LYS 39 1HB LYS 39 1.099 -6.787 9.723 288 1HG LYS 39 2HG LYS 39 1.709 -8.219 7.658 289 2HG LYS 39 1HG LYS 39 3.380 -7.963 8.151 290 1HD LYS 39 2HD LYS 39 2.516 -10.068 9.093 291 2HD LYS 39 1HD LYS 39 2.877 -8.915 10.372 292 1HE LYS 39 2HE LYS 39 0.594 -10.225 10.404 293 2HE LYS 39 1HE LYS 39 0.625 -8.515 10.835 294 1HZ LYS 39 1HZ LYS 39 -0.025 -7.948 8.601 295 2HZ LYS 39 2HZ LYS 39 -1.143 -9.052 9.247 296 3HZ LYS 39 3HZ LYS 39 0.021 -9.575 8.125 297 H VAL 40 H VAL 40 0.149 -5.913 5.992 298 HA VAL 40 HA VAL 40 -2.228 -4.920 7.447 299 HB VAL 40 HB VAL 40 -1.401 -3.437 5.601 300 1HG1 VAL 40 1HG1 VAL 40 -1.594 -4.174 3.301 301 2HG1 VAL 40 2HG1 VAL 40 -2.275 -5.721 3.804 302 3HG1 VAL 40 3HG1 VAL 40 -0.589 -5.341 4.159 303 1HG2 VAL 40 1HG2 VAL 40 -3.576 -2.988 4.770 304 2HG2 VAL 40 2HG2 VAL 40 -3.864 -3.753 6.334 305 3HG2 VAL 40 3HG2 VAL 40 -4.048 -4.685 4.848 306 H ALA 41 H ALA 41 -4.139 -6.011 7.212 307 HA ALA 41 HA ALA 41 -3.948 -8.666 5.926 308 1HB ALA 41 1HB ALA 41 -4.728 -9.479 7.865 309 2HB ALA 41 2HB ALA 41 -6.203 -8.541 7.642 310 3HB ALA 41 3HB ALA 41 -4.846 -7.849 8.529 311 H ILE 42 H ILE 42 -4.727 -8.307 3.892 312 HA ILE 42 HA ILE 42 -7.142 -6.687 3.552 313 HB ILE 42 HB ILE 42 -5.217 -6.406 1.991 314 1HG1 ILE 42 2HG1 ILE 42 -7.590 -7.604 0.540 315 2HG1 ILE 42 1HG1 ILE 42 -7.672 -6.040 1.349 316 1HG2 ILE 42 1HG2 ILE 42 -4.703 -8.170 0.385 317 2HG2 ILE 42 2HG2 ILE 42 -5.943 -9.209 1.083 318 3HG2 ILE 42 3HG2 ILE 42 -4.507 -8.798 2.020 319 1HD1 ILE 42 1HD1 ILE 42 -6.572 -5.025 -0.334 320 2HD1 ILE 42 2HD1 ILE 42 -6.755 -6.517 -1.252 321 3HD1 ILE 42 3HD1 ILE 42 -5.292 -6.236 -0.311 322 H THR 43 H THR 43 -9.049 -7.485 2.677 323 HA THR 43 HA THR 43 -9.526 -10.317 3.231 324 HB THR 43 HB THR 43 -11.184 -9.032 4.240 325 HG1 THR 43 HG1 THR 43 -12.196 -10.574 2.975 326 1HG2 THR 43 1HG2 THR 43 -10.695 -6.857 3.432 327 2HG2 THR 43 2HG2 THR 43 -12.359 -7.163 2.940 328 3HG2 THR 43 3HG2 THR 43 -11.053 -7.309 1.765 329 H ALA 44 H ALA 44 -8.007 -9.438 0.858 330 HA ALA 44 HA ALA 44 -9.808 -10.196 -1.334 331 1HB ALA 44 1HB ALA 44 -8.248 -8.171 -1.464 332 2HB ALA 44 2HB ALA 44 -8.213 -9.295 -2.822 333 3HB ALA 44 3HB ALA 44 -6.933 -9.337 -1.610 334 HA PRO 45 HA PRO 45 -8.036 -14.208 -1.771 335 1HB PRO 45 2HB PRO 45 -8.115 -14.171 -4.659 336 2HB PRO 45 1HB PRO 45 -9.271 -14.909 -3.541 337 1HG PRO 45 2HG PRO 45 -9.783 -12.743 -5.148 338 2HG PRO 45 1HG PRO 45 -10.689 -13.161 -3.687 339 1HD PRO 45 2HD PRO 45 -8.573 -11.076 -4.058 340 2HD PRO 45 1HD PRO 45 -10.017 -11.054 -3.021 341 HA PRO 46 HA PRO 46 -3.772 -14.141 -2.945 342 1HB PRO 46 2HB PRO 46 -3.703 -16.700 -4.274 343 2HB PRO 46 1HB PRO 46 -3.250 -16.320 -2.604 344 1HG PRO 46 2HG PRO 46 -5.419 -17.847 -3.363 345 2HG PRO 46 1HG PRO 46 -5.214 -17.063 -1.789 346 1HD PRO 46 2HD PRO 46 -6.897 -16.221 -4.108 347 2HD PRO 46 1HD PRO 46 -7.174 -15.996 -2.367 348 H VAL 47 H VAL 47 -6.036 -13.882 -5.322 349 HA VAL 47 HA VAL 47 -4.127 -14.025 -7.561 350 HB VAL 47 HB VAL 47 -6.320 -15.148 -7.827 351 1HG1 VAL 47 1HG1 VAL 47 -7.426 -13.202 -6.412 352 2HG1 VAL 47 2HG1 VAL 47 -8.353 -14.041 -7.653 353 3HG1 VAL 47 3HG1 VAL 47 -7.645 -12.465 -7.998 354 1HG2 VAL 47 1HG2 VAL 47 -6.641 -14.440 -10.045 355 2HG2 VAL 47 2HG2 VAL 47 -4.990 -13.915 -9.716 356 3HG2 VAL 47 3HG2 VAL 47 -6.315 -12.752 -9.657 357 H ASP 48 H ASP 48 -3.728 -12.259 -8.913 358 HA ASP 48 HA ASP 48 -3.618 -9.730 -7.629 359 1HB ASP 48 2HB ASP 48 -2.326 -10.854 -9.755 360 2HB ASP 48 1HB ASP 48 -3.404 -9.726 -10.566 361 H GLY 49 H GLY 49 -5.567 -10.843 -10.424 362 1HA GLY 49 2HA GLY 49 -6.972 -8.652 -11.115 363 2HA GLY 49 1HA GLY 49 -7.754 -10.223 -10.961 364 H GLN 50 H GLN 50 -7.846 -10.706 -8.329 365 HA GLN 50 HA GLN 50 -9.827 -8.809 -7.405 366 1HB GLN 50 2HB GLN 50 -8.824 -11.467 -6.399 367 2HB GLN 50 1HB GLN 50 -9.936 -10.476 -5.457 368 1HG GLN 50 2HG GLN 50 -11.086 -12.177 -6.900 369 2HG GLN 50 1HG GLN 50 -11.584 -10.518 -7.227 370 1HE2 GLN 50 1HE2 GLN 50 -10.966 -9.571 -9.280 371 2HE2 GLN 50 2HE2 GLN 50 -10.292 -10.500 -10.531 372 H ALA 51 H ALA 51 -6.651 -9.967 -6.223 373 HA ALA 51 HA ALA 51 -6.640 -8.357 -3.874 374 1HB ALA 51 1HB ALA 51 -4.272 -9.428 -5.430 375 2HB ALA 51 2HB ALA 51 -5.160 -10.326 -4.200 376 3HB ALA 51 3HB ALA 51 -4.259 -8.877 -3.754 377 H ASN 52 H ASN 52 -4.847 -7.982 -6.917 378 HA ASN 52 HA ASN 52 -3.701 -5.518 -6.562 379 1HB ASN 52 2HB ASN 52 -3.580 -7.153 -8.565 380 2HB ASN 52 1HB ASN 52 -4.981 -6.283 -9.180 381 1HD2 ASN 52 1HD2 ASN 52 -1.652 -6.319 -9.356 382 2HD2 ASN 52 2HD2 ASN 52 -1.381 -4.691 -9.754 383 H SER 53 H SER 53 -6.976 -6.154 -7.889 384 HA SER 53 HA SER 53 -7.710 -3.495 -8.337 385 1HB SER 53 2HB SER 53 -9.994 -4.260 -8.326 386 2HB SER 53 1HB SER 53 -9.002 -5.513 -9.063 387 HG SER 53 HG SER 53 -10.096 -6.642 -7.606 388 H HIS 54 H HIS 54 -8.182 -5.476 -5.401 389 HA HIS 54 HA HIS 54 -9.521 -3.600 -3.823 390 1HB HIS 54 2HB HIS 54 -7.879 -6.002 -3.318 391 2HB HIS 54 1HB HIS 54 -7.908 -4.838 -1.998 392 HD1 HIS 54 HD1 HIS 54 -10.902 -5.239 -4.232 393 HD2 HIS 54 HD2 HIS 54 -9.648 -6.441 -0.439 394 HE1 HIS 54 HE1 HIS 54 -12.942 -6.200 -3.075 395 H LEU 55 H LEU 55 -6.006 -4.288 -3.787 396 HA LEU 55 HA LEU 55 -5.141 -2.311 -2.112 397 1HB LEU 55 2HB LEU 55 -3.950 -4.031 -3.978 398 2HB LEU 55 1HB LEU 55 -3.414 -2.418 -4.442 399 HG LEU 55 HG LEU 55 -1.813 -3.173 -2.847 400 1HD1 LEU 55 1HD1 LEU 55 -1.888 -1.466 -1.290 401 2HD1 LEU 55 2HD1 LEU 55 -3.607 -1.688 -0.967 402 3HD1 LEU 55 3HD1 LEU 55 -3.083 -0.879 -2.446 403 1HD2 LEU 55 1HD2 LEU 55 -3.194 -5.076 -2.009 404 2HD2 LEU 55 2HD2 LEU 55 -4.127 -3.937 -1.037 405 3HD2 LEU 55 3HD2 LEU 55 -2.413 -4.184 -0.705 406 H VAL 56 H VAL 56 -5.387 -1.966 -5.642 407 HA VAL 56 HA VAL 56 -4.839 0.755 -5.837 408 HB VAL 56 HB VAL 56 -6.222 -1.286 -7.495 409 1HG1 VAL 56 1HG1 VAL 56 -6.845 0.487 -9.178 410 2HG1 VAL 56 2HG1 VAL 56 -6.554 1.699 -7.931 411 3HG1 VAL 56 3HG1 VAL 56 -7.838 0.508 -7.722 412 1HG2 VAL 56 1HG2 VAL 56 -4.210 0.862 -8.212 413 2HG2 VAL 56 2HG2 VAL 56 -4.575 -0.609 -9.115 414 3HG2 VAL 56 3HG2 VAL 56 -3.759 -0.712 -7.555 415 H LYS 57 H LYS 57 -7.774 -0.935 -4.950 416 HA LYS 57 HA LYS 57 -9.485 1.378 -5.080 417 1HB LYS 57 2HB LYS 57 -10.105 -1.157 -5.224 418 2HB LYS 57 1HB LYS 57 -10.113 -1.077 -3.464 419 1HG LYS 57 2HG LYS 57 -11.738 0.768 -3.544 420 2HG LYS 57 1HG LYS 57 -11.705 0.723 -5.306 421 1HD LYS 57 2HD LYS 57 -12.718 -1.426 -5.386 422 2HD LYS 57 1HD LYS 57 -12.432 -1.708 -3.668 423 1HE LYS 57 2HE LYS 57 -14.190 0.539 -4.679 424 2HE LYS 57 1HE LYS 57 -14.821 -1.063 -4.296 425 1HZ LYS 57 1HZ LYS 57 -13.796 1.007 -2.519 426 2HZ LYS 57 2HZ LYS 57 -13.436 -0.601 -2.104 427 3HZ LYS 57 3HZ LYS 57 -15.052 -0.105 -2.275 428 H PHE 58 H PHE 58 -8.550 -0.660 -2.286 429 HA PHE 58 HA PHE 58 -9.333 0.977 -0.232 430 1HB PHE 58 2HB PHE 58 -8.232 -1.364 -0.182 431 2HB PHE 58 1HB PHE 58 -6.705 -0.487 -0.108 432 HD1 PHE 58 HD1 PHE 58 -5.990 0.599 1.915 433 HD2 PHE 58 HD2 PHE 58 -9.977 -0.980 1.594 434 HE1 PHE 58 HE1 PHE 58 -6.324 0.945 4.344 435 HE2 PHE 58 HE2 PHE 58 -10.310 -0.623 4.026 436 HZ PHE 58 HZ PHE 58 -8.481 0.336 5.404 437 H LEU 59 H LEU 59 -6.052 0.942 -1.654 438 HA LEU 59 HA LEU 59 -5.115 3.184 -0.213 439 1HB LEU 59 2HB LEU 59 -3.901 1.319 -1.713 440 2HB LEU 59 1HB LEU 59 -3.972 2.620 -2.903 441 HG LEU 59 HG LEU 59 -3.090 4.093 -0.892 442 1HD1 LEU 59 1HD1 LEU 59 -2.305 1.269 -0.124 443 2HD1 LEU 59 2HD1 LEU 59 -3.198 2.435 0.853 444 3HD1 LEU 59 3HD1 LEU 59 -1.491 2.705 0.498 445 1HD2 LEU 59 1HD2 LEU 59 -0.701 3.250 -1.539 446 2HD2 LEU 59 2HD2 LEU 59 -1.721 3.954 -2.792 447 3HD2 LEU 59 3HD2 LEU 59 -1.560 2.203 -2.668 448 H GLY 60 H GLY 60 -6.034 2.948 -3.666 449 1HA GLY 60 2HA GLY 60 -5.842 5.578 -4.413 450 2HA GLY 60 1HA GLY 60 -7.064 4.486 -5.054 451 H LYS 61 H LYS 61 -8.294 4.133 -2.377 452 HA LYS 61 HA LYS 61 -10.073 6.418 -2.480 453 1HB LYS 61 2HB LYS 61 -10.157 3.715 -1.464 454 2HB LYS 61 1HB LYS 61 -10.664 4.845 -0.213 455 1HG LYS 61 2HG LYS 61 -12.417 5.711 -1.537 456 2HG LYS 61 1HG LYS 61 -11.741 5.041 -3.022 457 1HD LYS 61 2HD LYS 61 -12.217 2.767 -2.261 458 2HD LYS 61 1HD LYS 61 -12.807 3.381 -0.718 459 1HE LYS 61 2HE LYS 61 -14.634 2.825 -2.357 460 2HE LYS 61 1HE LYS 61 -14.663 4.500 -1.801 461 1HZ LYS 61 1HZ LYS 61 -13.122 3.842 -4.205 462 2HZ LYS 61 2HZ LYS 61 -13.937 5.279 -3.799 463 3HZ LYS 61 3HZ LYS 61 -14.810 3.923 -4.329 464 H GLN 62 H GLN 62 -8.338 4.868 0.216 465 HA GLN 62 HA GLN 62 -8.650 6.988 2.007 466 1HB GLN 62 2HB GLN 62 -7.407 5.731 3.462 467 2HB GLN 62 1HB GLN 62 -7.823 4.485 2.292 468 1HG GLN 62 2HG GLN 62 -5.571 4.115 2.337 469 2HG GLN 62 1HG GLN 62 -5.557 5.420 1.155 470 1HE2 GLN 62 1HE2 GLN 62 -5.871 5.321 4.749 471 2HE2 GLN 62 2HE2 GLN 62 -4.655 6.470 5.025 472 H PHE 63 H PHE 63 -6.237 6.470 -0.485 473 HA PHE 63 HA PHE 63 -4.640 8.764 0.404 474 1HB PHE 63 2HB PHE 63 -4.223 6.469 -1.350 475 2HB PHE 63 1HB PHE 63 -3.713 7.975 -2.095 476 HD1 PHE 63 HD1 PHE 63 -1.939 9.349 -1.108 477 HD2 PHE 63 HD2 PHE 63 -3.169 5.645 0.691 478 HE1 PHE 63 HE1 PHE 63 0.092 9.365 0.317 479 HE2 PHE 63 HE2 PHE 63 -1.138 5.663 2.116 480 HZ PHE 63 HZ PHE 63 0.492 7.524 1.929 481 H ARG 64 H ARG 64 -7.237 8.012 -1.691 482 HA ARG 64 HA ARG 64 -8.566 9.313 -3.026 483 1HB ARG 64 2HB ARG 64 -7.615 11.027 -1.108 484 2HB ARG 64 1HB ARG 64 -7.191 11.855 -2.602 485 1HG ARG 64 2HG ARG 64 -9.551 11.516 -3.390 486 2HG ARG 64 1HG ARG 64 -9.942 10.866 -1.796 487 1HD ARG 64 2HD ARG 64 -8.717 13.178 -1.077 488 2HD ARG 64 1HD ARG 64 -9.411 13.668 -2.619 489 HE ARG 64 HE ARG 64 -10.969 12.623 -0.325 490 1HH1 ARG 64 1HH2 ARG 64 -11.648 12.954 -3.496 491 2HH1 ARG 64 2HH2 ARG 64 -12.824 14.217 -3.354 492 1HH2 ARG 64 1HH1 ARG 64 -12.077 14.900 -0.037 493 2HH2 ARG 64 2HH1 ARG 64 -13.068 15.319 -1.394 494 H VAL 65 H VAL 65 -5.377 8.753 -3.657 495 HA VAL 65 HA VAL 65 -4.912 10.551 -5.836 496 HB VAL 65 HB VAL 65 -3.649 7.832 -5.749 497 1HG1 VAL 65 1HG1 VAL 65 -1.767 8.998 -6.658 498 2HG1 VAL 65 2HG1 VAL 65 -2.446 10.567 -6.227 499 3HG1 VAL 65 3HG1 VAL 65 -3.175 9.620 -7.519 500 1HG2 VAL 65 1HG2 VAL 65 -2.699 8.161 -3.727 501 2HG2 VAL 65 2HG2 VAL 65 -3.747 9.561 -3.498 502 3HG2 VAL 65 3HG2 VAL 65 -2.148 9.763 -4.209 503 H ALA 66 H ALA 66 -4.125 8.050 -7.511 504 HA ALA 66 HA ALA 66 -6.790 7.391 -8.578 505 1HB ALA 66 1HB ALA 66 -5.836 7.788 -10.892 506 2HB ALA 66 2HB ALA 66 -4.494 8.615 -10.097 507 3HB ALA 66 3HB ALA 66 -6.135 9.238 -9.932 508 H LYS 67 H LYS 67 -6.647 5.672 -10.282 509 HA LYS 67 HA LYS 67 -5.086 3.461 -9.301 510 1HB LYS 67 2HB LYS 67 -6.103 2.244 -11.246 511 2HB LYS 67 1HB LYS 67 -7.291 3.008 -10.191 512 1HG LYS 67 2HG LYS 67 -7.535 4.879 -11.725 513 2HG LYS 67 1HG LYS 67 -6.230 4.267 -12.740 514 1HD LYS 67 2HD LYS 67 -8.542 2.448 -12.189 515 2HD LYS 67 1HD LYS 67 -8.786 3.775 -13.326 516 1HE LYS 67 2HE LYS 67 -6.671 3.006 -14.506 517 2HE LYS 67 1HE LYS 67 -6.726 1.563 -13.494 518 1HZ LYS 67 1HZ LYS 67 -8.699 0.863 -14.455 519 2HZ LYS 67 2HZ LYS 67 -7.848 1.498 -15.782 520 3HZ LYS 67 3HZ LYS 67 -9.087 2.403 -15.052 521 H SER 68 H SER 68 -4.798 5.873 -11.737 522 HA SER 68 HA SER 68 -2.755 4.530 -13.284 523 1HB SER 68 2HB SER 68 -4.024 6.046 -14.546 524 2HB SER 68 1HB SER 68 -4.002 7.267 -13.279 525 HG SER 68 HG SER 68 -2.516 7.420 -15.241 526 H GLN 69 H GLN 69 -2.928 6.454 -10.446 527 HA GLN 69 HA GLN 69 -0.088 7.203 -10.550 528 1HB GLN 69 2HB GLN 69 -2.341 7.897 -8.654 529 2HB GLN 69 1HB GLN 69 -0.667 8.352 -8.363 530 1HG GLN 69 2HG GLN 69 -2.588 9.751 -9.893 531 2HG GLN 69 1HG GLN 69 -0.883 10.138 -9.709 532 1HE2 GLN 69 1HE2 GLN 69 0.594 9.426 -11.418 533 2HE2 GLN 69 2HE2 GLN 69 0.000 8.956 -12.934 534 H VAL 70 H VAL 70 -2.073 4.712 -9.418 535 HA VAL 70 HA VAL 70 -0.260 3.985 -7.223 536 HB VAL 70 HB VAL 70 -3.015 3.004 -8.007 537 1HG1 VAL 70 1HG1 VAL 70 -0.958 1.882 -6.137 538 2HG1 VAL 70 2HG1 VAL 70 -2.092 1.033 -7.184 539 3HG1 VAL 70 3HG1 VAL 70 -2.660 1.778 -5.690 540 1HG2 VAL 70 1HG2 VAL 70 -2.228 4.087 -5.325 541 2HG2 VAL 70 2HG2 VAL 70 -3.779 4.185 -6.159 542 3HG2 VAL 70 3HG2 VAL 70 -2.443 5.224 -6.656 543 H VAL 71 H VAL 71 1.481 3.076 -8.174 544 HA VAL 71 HA VAL 71 1.022 0.813 -10.025 545 HB VAL 71 HB VAL 71 3.599 2.358 -9.695 546 1HG1 VAL 71 1HG1 VAL 71 4.327 1.197 -11.588 547 2HG1 VAL 71 2HG1 VAL 71 2.686 0.851 -12.133 548 3HG1 VAL 71 3HG1 VAL 71 3.368 -0.037 -10.771 549 1HG2 VAL 71 1HG2 VAL 71 2.851 3.412 -11.913 550 2HG2 VAL 71 2HG2 VAL 71 2.030 3.990 -10.462 551 3HG2 VAL 71 3HG2 VAL 71 1.233 2.829 -11.527 552 H ILE 72 H ILE 72 1.234 -1.099 -9.119 553 HA ILE 72 HA ILE 72 2.788 -1.500 -6.665 554 HB ILE 72 HB ILE 72 1.129 -3.455 -8.287 555 1HG1 ILE 72 2HG1 ILE 72 0.385 -1.945 -5.762 556 2HG1 ILE 72 1HG1 ILE 72 -0.113 -1.442 -7.376 557 1HG2 ILE 72 1HG2 ILE 72 1.138 -4.730 -6.149 558 2HG2 ILE 72 2HG2 ILE 72 2.238 -3.533 -5.463 559 3HG2 ILE 72 3HG2 ILE 72 2.760 -4.541 -6.815 560 1HD1 ILE 72 1HD1 ILE 72 -0.654 -4.243 -6.388 561 2HD1 ILE 72 2HD1 ILE 72 -1.445 -3.368 -7.700 562 3HD1 ILE 72 3HD1 ILE 72 -1.760 -2.918 -6.023 563 H GLU 73 H GLU 73 4.901 -1.192 -7.496 564 HA GLU 73 HA GLU 73 5.906 -2.806 -9.660 565 1HB GLU 73 2HB GLU 73 7.090 -0.872 -7.693 566 2HB GLU 73 1HB GLU 73 8.156 -1.927 -8.622 567 1HG GLU 73 2HG GLU 73 7.083 -1.127 -10.719 568 2HG GLU 73 1HG GLU 73 6.084 -0.030 -9.770 569 H LYS 74 H LYS 74 4.737 -3.909 -6.999 570 HA LYS 74 HA LYS 74 6.048 -6.339 -6.902 571 1HB LYS 74 2HB LYS 74 7.618 -4.351 -5.642 572 2HB LYS 74 1HB LYS 74 6.886 -5.293 -4.345 573 1HG LYS 74 2HG LYS 74 7.748 -7.353 -5.245 574 2HG LYS 74 1HG LYS 74 8.282 -6.550 -6.722 575 1HD LYS 74 2HD LYS 74 9.773 -5.101 -5.234 576 2HD LYS 74 1HD LYS 74 9.400 -6.226 -3.929 577 1HE LYS 74 2HE LYS 74 10.153 -8.084 -5.546 578 2HE LYS 74 1HE LYS 74 10.847 -6.787 -6.519 579 1HZ LYS 74 1HZ LYS 74 11.503 -6.545 -3.747 580 2HZ LYS 74 2HZ LYS 74 12.524 -6.552 -5.107 581 3HZ LYS 74 3HZ LYS 74 12.038 -8.016 -4.401 582 H GLY 75 H GLY 75 4.828 -7.724 -5.718 583 1HA GLY 75 2HA GLY 75 3.528 -7.969 -3.553 584 2HA GLY 75 1HA GLY 75 2.661 -6.531 -4.085 585 H GLU 76 H GLU 76 3.158 -7.718 -6.911 586 HA GLU 76 HA GLU 76 0.752 -8.470 -7.750 587 1HB GLU 76 2HB GLU 76 3.150 -8.669 -8.891 588 2HB GLU 76 1HB GLU 76 2.897 -10.382 -8.551 589 1HG GLU 76 2HG GLU 76 0.696 -10.264 -9.700 590 2HG GLU 76 1HG GLU 76 1.004 -8.573 -10.086 591 H LEU 77 H LEU 77 2.977 -10.938 -6.409 592 HA LEU 77 HA LEU 77 0.617 -12.406 -5.415 593 1HB LEU 77 2HB LEU 77 2.888 -13.455 -7.090 594 2HB LEU 77 1HB LEU 77 1.973 -14.520 -6.024 595 HG LEU 77 HG LEU 77 0.465 -12.695 -7.864 596 1HD1 LEU 77 1HD1 LEU 77 1.950 -15.203 -8.659 597 2HD1 LEU 77 2HD1 LEU 77 1.963 -13.628 -9.452 598 3HD1 LEU 77 3HD1 LEU 77 0.525 -14.645 -9.537 599 1HD2 LEU 77 1HD2 LEU 77 -0.115 -15.580 -7.206 600 2HD2 LEU 77 2HD2 LEU 77 -1.246 -14.287 -7.611 601 3HD2 LEU 77 3HD2 LEU 77 -0.468 -14.315 -6.028 602 H GLY 78 H GLY 78 4.050 -11.671 -5.144 603 1HA GLY 78 2HA GLY 78 4.580 -13.265 -2.843 604 2HA GLY 78 1HA GLY 78 5.543 -11.900 -3.398 605 H ARG 79 H ARG 79 4.608 -12.727 -0.663 606 HA ARG 79 HA ARG 79 2.609 -11.001 0.308 607 1HB ARG 79 2HB ARG 79 5.052 -12.122 1.712 608 2HB ARG 79 1HB ARG 79 3.694 -11.342 2.526 609 1HG ARG 79 2HG ARG 79 2.169 -13.043 1.821 610 2HG ARG 79 1HG ARG 79 3.327 -13.704 0.668 611 1HD ARG 79 2HD ARG 79 3.572 -15.206 2.417 612 2HD ARG 79 1HD ARG 79 4.818 -14.031 2.824 613 HE ARG 79 HE ARG 79 2.835 -13.012 4.221 614 1HH1 ARG 79 1HH2 ARG 79 1.272 -15.613 3.780 615 2HH1 ARG 79 2HH2 ARG 79 1.635 -16.476 5.237 616 1HH2 ARG 79 1HH1 ARG 79 4.316 -14.450 6.086 617 2HH2 ARG 79 2HH1 ARG 79 3.356 -15.818 6.541 618 H HIS 80 H HIS 80 6.028 -10.475 -0.360 619 HA HIS 80 HA HIS 80 6.175 -7.901 0.907 620 1HB HIS 80 2HB HIS 80 7.853 -9.368 -1.125 621 2HB HIS 80 1HB HIS 80 8.141 -7.655 -0.809 622 HD1 HIS 80 HD1 HIS 80 7.432 -7.822 2.291 623 HD2 HIS 80 HD2 HIS 80 10.125 -10.294 0.288 624 HE1 HIS 80 HE1 HIS 80 9.018 -8.721 4.046 625 H LYS 81 H LYS 81 5.665 -5.886 0.018 626 HA LYS 81 HA LYS 81 4.791 -5.839 -2.781 627 1HB LYS 81 2HB LYS 81 2.688 -6.234 -1.989 628 2HB LYS 81 1HB LYS 81 3.087 -5.698 -0.365 629 1HG LYS 81 2HG LYS 81 2.942 -3.351 -1.105 630 2HG LYS 81 1HG LYS 81 2.536 -3.897 -2.737 631 1HD LYS 81 2HD LYS 81 0.947 -4.924 -0.402 632 2HD LYS 81 1HD LYS 81 0.592 -3.329 -1.039 633 1HE LYS 81 2HE LYS 81 0.612 -5.898 -2.640 634 2HE LYS 81 1HE LYS 81 -0.824 -5.012 -2.132 635 1HZ LYS 81 1HZ LYS 81 0.624 -3.107 -3.359 636 2HZ LYS 81 2HZ LYS 81 -0.616 -4.002 -4.096 637 3HZ LYS 81 3HZ LYS 81 1.006 -4.470 -4.291 638 H GLN 82 H GLN 82 4.701 -3.740 -3.682 639 HA GLN 82 HA GLN 82 5.585 -1.512 -2.030 640 1HB GLN 82 2HB GLN 82 7.684 -2.580 -2.786 641 2HB GLN 82 1HB GLN 82 7.144 -2.426 -4.461 642 1HG GLN 82 2HG GLN 82 7.203 -0.056 -4.374 643 2HG GLN 82 1HG GLN 82 7.308 -0.048 -2.613 644 1HE2 GLN 82 1HE2 GLN 82 9.183 -1.416 -5.394 645 2HE2 GLN 82 2HE2 GLN 82 10.702 -1.058 -4.726 646 H ILE 83 H ILE 83 4.385 0.167 -2.571 647 HA ILE 83 HA ILE 83 3.256 0.251 -5.301 648 HB ILE 83 HB ILE 83 1.942 1.433 -2.860 649 1HG1 ILE 83 2HG1 ILE 83 1.557 -1.349 -4.019 650 2HG1 ILE 83 1HG1 ILE 83 2.357 -0.996 -2.490 651 1HG2 ILE 83 1HG2 ILE 83 1.347 1.940 -5.367 652 2HG2 ILE 83 2HG2 ILE 83 0.049 1.594 -4.226 653 3HG2 ILE 83 3HG2 ILE 83 0.613 0.336 -5.327 654 1HD1 ILE 83 1HD1 ILE 83 0.338 -1.162 -1.520 655 2HD1 ILE 83 2HD1 ILE 83 -0.484 -1.179 -3.080 656 3HD1 ILE 83 3HD1 ILE 83 -0.080 0.357 -2.314 657 H LYS 84 H LYS 84 3.234 2.165 -6.365 658 HA LYS 84 HA LYS 84 4.768 4.373 -5.120 659 1HB LYS 84 2HB LYS 84 5.566 3.004 -7.271 660 2HB LYS 84 1HB LYS 84 4.496 4.141 -8.088 661 1HG LYS 84 2HG LYS 84 6.508 5.145 -6.081 662 2HG LYS 84 1HG LYS 84 7.011 4.788 -7.732 663 1HD LYS 84 2HD LYS 84 6.319 6.887 -8.226 664 2HD LYS 84 1HD LYS 84 4.684 6.239 -8.116 665 1HE LYS 84 2HE LYS 84 4.707 8.137 -6.673 666 2HE LYS 84 1HE LYS 84 4.817 6.741 -5.604 667 1HZ LYS 84 1HZ LYS 84 6.535 8.841 -5.644 668 2HZ LYS 84 2HZ LYS 84 7.376 7.652 -6.517 669 3HZ LYS 84 3HZ LYS 84 6.845 7.330 -4.938 670 H ILE 85 H ILE 85 3.322 5.835 -4.422 671 HA ILE 85 HA ILE 85 0.895 6.374 -5.964 672 HB ILE 85 HB ILE 85 1.874 7.207 -3.230 673 1HG1 ILE 85 2HG1 ILE 85 -0.571 6.268 -2.818 674 2HG1 ILE 85 1HG1 ILE 85 -0.319 5.497 -4.384 675 1HG2 ILE 85 1HG2 ILE 85 -0.425 8.398 -3.134 676 2HG2 ILE 85 2HG2 ILE 85 -0.370 8.370 -4.897 677 3HG2 ILE 85 3HG2 ILE 85 0.877 9.225 -3.988 678 1HD1 ILE 85 1HD1 ILE 85 0.724 3.855 -3.212 679 2HD1 ILE 85 2HD1 ILE 85 0.889 4.868 -1.779 680 3HD1 ILE 85 3HD1 ILE 85 2.070 4.986 -3.081 681 H ILE 86 H ILE 86 1.368 7.583 -7.720 682 HA ILE 86 HA ILE 86 3.269 9.766 -7.605 683 HB ILE 86 HB ILE 86 1.322 9.015 -9.802 684 1HG1 ILE 86 2HG1 ILE 86 4.249 8.272 -9.513 685 2HG1 ILE 86 1HG1 ILE 86 2.919 7.182 -9.122 686 1HG2 ILE 86 1HG2 ILE 86 2.950 10.253 -11.229 687 2HG2 ILE 86 2HG2 ILE 86 3.849 10.698 -9.778 688 3HG2 ILE 86 3HG2 ILE 86 2.205 11.291 -10.015 689 1HD1 ILE 86 1HD1 ILE 86 3.408 8.453 -11.834 690 2HD1 ILE 86 2HD1 ILE 86 2.086 7.356 -11.436 691 3HD1 ILE 86 3HD1 ILE 86 3.750 6.776 -11.411 692 H ASN 87 H ASN 87 2.795 11.955 -7.646 693 HA ASN 87 HA ASN 87 1.620 13.830 -6.994 694 1HB ASN 87 2HB ASN 87 0.874 13.384 -9.379 695 2HB ASN 87 1HB ASN 87 -0.572 12.636 -8.704 696 1HD2 ASN 87 1HD2 ASN 87 -1.180 14.769 -10.212 697 2HD2 ASN 87 2HD2 ASN 87 -1.510 16.148 -9.280 698 HA PRO 88 HA PRO 88 -0.917 11.579 -3.824 699 1HB PRO 88 2HB PRO 88 0.543 12.991 -1.779 700 2HB PRO 88 1HB PRO 88 0.564 11.260 -2.144 701 1HG PRO 88 2HG PRO 88 2.664 13.018 -2.528 702 2HG PRO 88 1HG PRO 88 2.505 11.418 -3.264 703 1HD PRO 88 2HD PRO 88 2.056 14.098 -4.477 704 2HD PRO 88 1HD PRO 88 2.562 12.577 -5.245 705 H GLN 89 H GLN 89 -2.688 12.383 -2.744 706 HA GLN 89 HA GLN 89 -3.113 15.299 -2.932 707 1HB GLN 89 2HB GLN 89 -5.230 13.169 -2.597 708 2HB GLN 89 1HB GLN 89 -5.458 14.857 -3.054 709 1HG GLN 89 2HG GLN 89 -3.784 14.165 -5.019 710 2HG GLN 89 1HG GLN 89 -4.454 12.568 -4.692 711 1HE2 GLN 89 1HE2 GLN 89 -5.738 15.942 -5.020 712 2HE2 GLN 89 2HE2 GLN 89 -7.069 15.484 -5.966 713 H GLN 90 H GLN 90 -3.446 12.486 -0.779 714 HA GLN 90 HA GLN 90 -3.243 14.289 1.503 715 1HB GLN 90 2HB GLN 90 -5.207 13.534 2.615 716 2HB GLN 90 1HB GLN 90 -5.710 13.972 0.984 717 1HG GLN 90 2HG GLN 90 -5.283 11.459 0.431 718 2HG GLN 90 1HG GLN 90 -5.358 11.227 2.175 719 1HE2 GLN 90 1HE2 GLN 90 -7.373 9.905 1.238 720 2HE2 GLN 90 2HE2 GLN 90 -8.836 10.764 1.203 721 H ILE 91 H ILE 91 -1.857 13.493 2.880 722 HA ILE 91 HA ILE 91 -1.202 10.626 2.739 723 HB ILE 91 HB ILE 91 0.651 12.156 2.218 724 1HG1 ILE 91 2HG1 ILE 91 1.404 11.119 4.907 725 2HG1 ILE 91 1HG1 ILE 91 0.725 9.946 3.778 726 1HG2 ILE 91 1HG2 ILE 91 0.857 13.082 5.036 727 2HG2 ILE 91 2HG2 ILE 91 -0.402 13.842 4.061 728 3HG2 ILE 91 3HG2 ILE 91 1.281 13.916 3.541 729 1HD1 ILE 91 1HD1 ILE 91 2.385 10.649 2.069 730 2HD1 ILE 91 2HD1 ILE 91 3.161 10.022 3.523 731 3HD1 ILE 91 3HD1 ILE 91 3.095 11.763 3.239 732 HA PRO 92 HA PRO 92 -3.249 10.568 6.723 733 1HB PRO 92 2HB PRO 92 -2.861 7.710 6.803 734 2HB PRO 92 1HB PRO 92 -4.354 8.608 6.501 735 1HG PRO 92 2HG PRO 92 -2.937 7.095 4.660 736 2HG PRO 92 1HG PRO 92 -4.221 8.259 4.309 737 1HD PRO 92 2HD PRO 92 -1.305 8.528 3.932 738 2HD PRO 92 1HD PRO 92 -2.636 9.403 3.147 739 HA PRO 93 HA PRO 93 -0.056 10.606 9.742 740 1HB PRO 93 2HB PRO 93 -1.413 8.879 11.602 741 2HB PRO 93 1HB PRO 93 -1.281 10.642 11.644 742 1HG PRO 93 2HG PRO 93 -3.507 8.971 10.804 743 2HG PRO 93 1HG PRO 93 -3.476 10.694 11.204 744 1HD PRO 93 2HD PRO 93 -3.813 9.701 8.651 745 2HD PRO 93 1HD PRO 93 -3.191 11.323 9.015 746 H GLU 94 H GLU 94 -1.492 7.549 8.828 747 HA GLU 94 HA GLU 94 0.221 5.696 9.964 748 1HB GLU 94 2HB GLU 94 -1.736 4.995 8.726 749 2HB GLU 94 1HB GLU 94 -1.098 5.706 7.242 750 1HG GLU 94 2HG GLU 94 0.767 4.112 7.248 751 2HG GLU 94 1HG GLU 94 0.205 3.429 8.769 752 H VAL 95 H VAL 95 0.519 7.074 6.689 753 HA VAL 95 HA VAL 95 3.268 6.148 6.492 754 HB VAL 95 HB VAL 95 2.135 8.015 4.465 755 1HG1 VAL 95 1HG1 VAL 95 4.370 6.577 4.511 756 2HG1 VAL 95 2HG1 VAL 95 3.471 6.796 3.012 757 3HG1 VAL 95 3HG1 VAL 95 3.296 5.304 3.933 758 1HG2 VAL 95 1HG2 VAL 95 0.136 6.798 4.753 759 2HG2 VAL 95 2HG2 VAL 95 0.991 5.303 5.136 760 3HG2 VAL 95 3HG2 VAL 95 0.965 5.904 3.478 761 H ALA 96 H ALA 96 1.544 9.028 7.314 762 HA ALA 96 HA ALA 96 3.719 10.858 6.857 763 1HB ALA 96 1HB ALA 96 1.720 11.688 8.832 764 2HB ALA 96 2HB ALA 96 1.018 11.148 7.309 765 3HB ALA 96 3HB ALA 96 2.199 12.454 7.318 766 H ALA 97 H ALA 97 2.891 8.653 9.375 767 HA ALA 97 HA ALA 97 4.110 9.983 11.569 768 1HB ALA 97 1HB ALA 97 4.208 7.673 12.566 769 2HB ALA 97 2HB ALA 97 3.588 7.053 11.038 770 3HB ALA 97 3HB ALA 97 2.609 8.158 12.004 771 H LEU 98 H LEU 98 5.391 8.163 8.905 772 HA LEU 98 HA LEU 98 8.047 8.038 10.184 773 1HB LEU 98 2HB LEU 98 7.002 6.673 7.690 774 2HB LEU 98 1HB LEU 98 8.619 6.467 8.365 775 HG LEU 98 HG LEU 98 6.186 5.977 10.078 776 1HD1 LEU 98 1HD1 LEU 98 7.345 4.211 7.941 777 2HD1 LEU 98 2HD1 LEU 98 5.656 4.485 8.363 778 3HD1 LEU 98 3HD1 LEU 98 6.673 3.490 9.403 779 1HD2 LEU 98 1HD2 LEU 98 8.385 6.091 11.167 780 2HD2 LEU 98 2HD2 LEU 98 9.021 4.888 10.045 781 3HD2 LEU 98 3HD2 LEU 98 7.777 4.437 11.210 782 H ILE 99 H ILE 99 6.241 9.810 7.914 783 HA ILE 99 HA ILE 99 8.671 10.800 6.563 784 HB ILE 99 HB ILE 99 5.736 10.915 5.860 785 1HG1 ILE 99 2HG1 ILE 99 8.060 10.001 4.160 786 2HG1 ILE 99 1HG1 ILE 99 7.330 8.918 5.345 787 1HG2 ILE 99 1HG2 ILE 99 6.509 13.097 5.286 788 2HG2 ILE 99 2HG2 ILE 99 6.600 12.166 3.791 789 3HG2 ILE 99 3HG2 ILE 99 8.064 12.482 4.725 790 1HD1 ILE 99 1HD1 ILE 99 6.385 8.780 2.972 791 2HD1 ILE 99 2HD1 ILE 99 5.687 10.374 3.262 792 3HD1 ILE 99 3HD1 ILE 99 5.204 9.003 4.262 793 H ASN 100 H ASN 100 5.681 11.978 8.101 794 HA ASN 100 HA ASN 100 6.602 14.699 8.238 795 1HB ASN 100 2HB ASN 100 4.154 13.559 8.351 796 2HB ASN 100 1HB ASN 100 4.452 13.801 10.069 797 1HD2 ASN 100 1HD2 ASN 100 4.005 15.485 6.980 798 2HD2 ASN 100 2HD2 ASN 100 3.836 17.035 7.653 799 H LEU 101 H LEU 101 7.630 12.034 9.817 800 HA LEU 101 HA LEU 101 7.658 12.600 12.537 801 1HB LEU 101 2HB LEU 101 8.466 10.482 11.630 802 2HB LEU 101 1HB LEU 101 9.818 11.302 10.853 803 HG LEU 101 HG LEU 101 10.686 11.982 13.059 804 1HD1 LEU 101 1HD1 LEU 101 9.561 10.765 15.062 805 2HD1 LEU 101 2HD1 LEU 101 8.159 10.631 14.001 806 3HD1 LEU 101 3HD1 LEU 101 8.786 12.221 14.439 807 1HD2 LEU 101 1HD2 LEU 101 11.391 9.814 12.102 808 2HD2 LEU 101 2HD2 LEU 101 10.039 9.022 12.911 809 3HD2 LEU 101 3HD2 LEU 101 11.335 9.746 13.862 810 H GLU 102 H GLU 102 9.090 14.393 10.029 811 HA GLU 102 HA GLU 102 11.345 15.448 11.442 812 1HB GLU 102 2HB GLU 102 10.916 15.438 8.900 813 2HB GLU 102 1HB GLU 102 9.902 16.849 9.196 814 1HG GLU 102 2HG GLU 102 11.813 17.983 10.289 815 2HG GLU 102 1HG GLU 102 12.825 16.578 9.962 816 H HIS 103 H HIS 103 9.449 15.562 13.292 817 HA HIS 103 HA HIS 103 8.740 18.429 13.484 818 1HB HIS 103 2HB HIS 103 7.114 15.986 13.944 819 2HB HIS 103 1HB HIS 103 6.921 17.285 15.119 820 HD1 HIS 103 HD1 HIS 103 4.870 18.543 14.443 821 HD2 HIS 103 HD2 HIS 103 7.241 17.589 11.148 822 HE1 HIS 103 HE1 HIS 103 3.776 19.629 12.432 823 H HIS 104 H HIS 104 10.414 19.111 14.748 824 HA HIS 104 HA HIS 104 11.692 17.702 16.792 825 1HB HIS 104 2HB HIS 104 11.274 20.697 16.646 826 2HB HIS 104 1HB HIS 104 12.511 19.860 17.577 827 HD1 HIS 104 HD1 HIS 104 13.690 21.736 15.657 828 HD2 HIS 104 HD2 HIS 104 12.561 17.911 14.443 829 HE1 HIS 104 HE1 HIS 104 15.003 21.237 13.550 830 H HIS 105 H HIS 105 8.582 19.200 16.757 831 HA HIS 105 HA HIS 105 8.082 19.924 19.355 832 1HB HIS 105 2HB HIS 105 6.324 18.465 17.378 833 2HB HIS 105 1HB HIS 105 5.728 19.017 18.942 834 HD1 HIS 105 HD1 HIS 105 7.956 21.561 18.418 835 HD2 HIS 105 HD2 HIS 105 4.449 20.564 16.397 836 HE1 HIS 105 HE1 HIS 105 7.184 23.666 17.240 837 H HIS 106 H HIS 106 8.958 18.830 21.023 838 HA HIS 106 HA HIS 106 9.056 15.974 21.185 839 1HB HIS 106 2HB HIS 106 10.060 16.300 23.325 840 2HB HIS 106 1HB HIS 106 10.651 17.610 22.305 841 HD1 HIS 106 HD1 HIS 106 8.083 19.407 22.436 842 HD2 HIS 106 HD2 HIS 106 9.944 17.700 25.753 843 HE1 HIS 106 HE1 HIS 106 7.400 20.799 24.438 844 H HIS 107 H HIS 107 6.441 17.844 21.250 845 HA HIS 107 HA HIS 107 4.981 17.397 23.539 846 1HB HIS 107 2HB HIS 107 4.345 18.645 21.358 847 2HB HIS 107 1HB HIS 107 3.724 17.084 20.821 848 HD1 HIS 107 HD1 HIS 107 2.266 15.922 23.069 849 HD2 HIS 107 HD2 HIS 107 2.252 20.047 22.463 850 HE1 HIS 107 HE1 HIS 107 0.231 16.819 24.284 851 H HIS 108 H HIS 108 5.107 15.467 24.580 852 HA HIS 108 HA HIS 108 5.266 12.919 23.466 853 1HB HIS 108 2HB HIS 108 4.192 13.908 26.103 854 2HB HIS 108 1HB HIS 108 4.201 12.195 25.697 855 HD1 HIS 108 HD1 HIS 108 6.136 14.264 27.636 856 HD2 HIS 108 HD2 HIS 108 7.145 11.808 24.421 857 HE1 HIS 108 HE1 HIS 108 8.617 13.800 27.840 Start of MODEL 10 1 HA MET 1 HA MET 1 22.184 -4.095 3.844 2 1HB MET 1 2HB MET 1 25.137 -4.777 3.844 3 2HB MET 1 1HB MET 1 23.912 -5.323 2.698 4 1HG MET 1 2HG MET 1 24.862 -2.466 3.078 5 2HG MET 1 1HG MET 1 25.217 -3.508 1.702 6 1HE MET 1 1HE MET 1 24.353 -2.280 -0.217 7 2HE MET 1 2HE MET 1 24.251 -0.898 0.871 8 3HE MET 1 3HE MET 1 22.910 -1.257 -0.213 9 H ASP 2 H ASP 2 22.135 -4.110 6.675 10 HA ASP 2 HA ASP 2 22.850 -6.908 7.315 11 1HB ASP 2 2HB ASP 2 22.471 -4.498 9.102 12 2HB ASP 2 1HB ASP 2 22.642 -6.145 9.708 13 H GLY 3 H GLY 3 20.521 -4.657 8.775 14 1HA GLY 3 2HA GLY 3 18.449 -6.750 8.580 15 2HA GLY 3 1HA GLY 3 18.438 -5.391 9.702 16 H VAL 4 H VAL 4 19.235 -3.463 7.649 17 HA VAL 4 HA VAL 4 18.230 -1.950 6.249 18 HB VAL 4 HB VAL 4 16.810 -4.352 5.070 19 1HG1 VAL 4 1HG1 VAL 4 17.717 -1.705 3.890 20 2HG1 VAL 4 2HG1 VAL 4 16.053 -2.121 4.298 21 3HG1 VAL 4 3HG1 VAL 4 16.889 -2.992 3.014 22 1HG2 VAL 4 1HG2 VAL 4 19.108 -4.973 5.092 23 2HG2 VAL 4 2HG2 VAL 4 19.637 -3.328 4.744 24 3HG2 VAL 4 3HG2 VAL 4 18.849 -4.284 3.489 25 H MET 5 H MET 5 16.992 -0.783 7.678 26 HA MET 5 HA MET 5 14.275 -1.721 8.283 27 1HB MET 5 2HB MET 5 14.417 0.599 9.605 28 2HB MET 5 1HB MET 5 15.023 -0.915 10.282 29 1HG MET 5 2HG MET 5 16.803 0.865 8.614 30 2HG MET 5 1HG MET 5 16.590 1.156 10.338 31 1HE MET 5 1HE MET 5 19.298 0.842 9.338 32 2HE MET 5 2HE MET 5 18.955 -0.215 7.970 33 3HE MET 5 3HE MET 5 20.050 -0.757 9.239 34 H SER 6 H SER 6 13.237 -1.353 6.312 35 HA SER 6 HA SER 6 12.817 1.479 5.707 36 1HB SER 6 2HB SER 6 12.596 0.865 3.315 37 2HB SER 6 1HB SER 6 14.204 0.506 3.933 38 HG SER 6 HG SER 6 13.850 -1.510 3.493 39 H ALA 7 H ALA 7 10.834 1.165 3.871 40 HA ALA 7 HA ALA 7 8.775 -0.562 4.077 41 1HB ALA 7 1HB ALA 7 8.384 -0.551 6.355 42 2HB ALA 7 2HB ALA 7 7.332 0.773 5.857 43 3HB ALA 7 3HB ALA 7 8.921 1.119 6.544 44 H VAL 8 H VAL 8 9.869 2.684 3.983 45 HA VAL 8 HA VAL 8 7.983 3.312 1.899 46 HB VAL 8 HB VAL 8 6.855 3.814 4.171 47 1HG1 VAL 8 1HG1 VAL 8 7.533 5.754 5.363 48 2HG1 VAL 8 2HG1 VAL 8 8.618 6.269 4.071 49 3HG1 VAL 8 3HG1 VAL 8 9.023 4.864 5.058 50 1HG2 VAL 8 1HG2 VAL 8 5.856 4.727 2.213 51 2HG2 VAL 8 2HG2 VAL 8 7.182 5.862 1.965 52 3HG2 VAL 8 3HG2 VAL 8 6.059 6.096 3.303 53 H THR 9 H THR 9 8.535 5.243 0.762 54 HA THR 9 HA THR 9 11.031 6.579 1.470 55 HB THR 9 HB THR 9 10.686 4.698 -0.839 56 HG1 THR 9 HG1 THR 9 12.686 5.287 1.070 57 1HG2 THR 9 1HG2 THR 9 11.331 6.605 -2.067 58 2HG2 THR 9 2HG2 THR 9 12.868 5.824 -1.698 59 3HG2 THR 9 3HG2 THR 9 12.342 7.218 -0.757 60 H VAL 10 H VAL 10 11.243 8.592 0.537 61 HA VAL 10 HA VAL 10 8.941 9.539 -1.053 62 HB VAL 10 HB VAL 10 9.745 11.831 -0.101 63 1HG1 VAL 10 1HG1 VAL 10 7.604 10.767 0.467 64 2HG1 VAL 10 2HG1 VAL 10 8.330 11.475 1.908 65 3HG1 VAL 10 3HG1 VAL 10 8.415 9.734 1.646 66 1HG2 VAL 10 1HG2 VAL 10 11.037 11.813 1.858 67 2HG2 VAL 10 2HG2 VAL 10 11.823 10.564 0.895 68 3HG2 VAL 10 3HG2 VAL 10 10.704 10.110 2.180 69 H ASN 11 H ASN 11 9.608 9.475 -3.110 70 HA ASN 11 HA ASN 11 12.315 10.343 -3.824 71 1HB ASN 11 2HB ASN 11 10.099 9.191 -5.543 72 2HB ASN 11 1HB ASN 11 11.757 9.493 -6.060 73 1HD2 ASN 11 1HD2 ASN 11 10.120 6.881 -5.649 74 2HD2 ASN 11 2HD2 ASN 11 11.151 5.922 -4.701 75 H ASP 12 H ASP 12 11.470 11.186 -6.498 76 HA ASP 12 HA ASP 12 10.489 13.887 -5.809 77 1HB ASP 12 2HB ASP 12 12.137 12.886 -8.145 78 2HB ASP 12 1HB ASP 12 11.528 14.533 -7.996 79 H ASP 13 H ASP 13 9.390 11.046 -6.826 80 HA ASP 13 HA ASP 13 7.572 12.119 -8.888 81 1HB ASP 13 2HB ASP 13 8.978 10.167 -9.488 82 2HB ASP 13 1HB ASP 13 8.262 9.263 -8.161 83 H GLY 14 H GLY 14 7.785 10.866 -5.679 84 1HA GLY 14 2HA GLY 14 5.425 11.712 -4.671 85 2HA GLY 14 1HA GLY 14 4.985 10.183 -5.423 86 H LEU 15 H LEU 15 4.937 8.564 -4.028 87 HA LEU 15 HA LEU 15 7.137 8.213 -2.135 88 1HB LEU 15 2HB LEU 15 5.368 7.719 -0.327 89 2HB LEU 15 1HB LEU 15 5.719 9.408 -0.691 90 HG LEU 15 HG LEU 15 3.673 8.496 -2.488 91 1HD1 LEU 15 1HD1 LEU 15 3.065 8.039 0.451 92 2HD1 LEU 15 2HD1 LEU 15 3.225 6.770 -0.765 93 3HD1 LEU 15 3HD1 LEU 15 1.908 7.937 -0.877 94 1HD2 LEU 15 1HD2 LEU 15 2.444 10.360 -1.511 95 2HD2 LEU 15 2HD2 LEU 15 4.132 10.830 -1.695 96 3HD2 LEU 15 3HD2 LEU 15 3.511 10.374 -0.108 97 H VAL 16 H VAL 16 7.594 6.132 -1.712 98 HA VAL 16 HA VAL 16 5.944 4.085 -3.045 99 HB VAL 16 HB VAL 16 8.815 4.045 -2.070 100 1HG1 VAL 16 1HG1 VAL 16 8.789 1.786 -3.317 101 2HG1 VAL 16 2HG1 VAL 16 7.033 1.868 -3.180 102 3HG1 VAL 16 3HG1 VAL 16 8.028 1.828 -1.726 103 1HG2 VAL 16 1HG2 VAL 16 8.108 5.256 -4.254 104 2HG2 VAL 16 2HG2 VAL 16 7.792 3.638 -4.882 105 3HG2 VAL 16 3HG2 VAL 16 9.418 4.078 -4.359 106 H LEU 17 H LEU 17 5.087 2.374 -1.884 107 HA LEU 17 HA LEU 17 5.451 2.504 1.045 108 1HB LEU 17 2HB LEU 17 3.274 3.308 0.712 109 2HB LEU 17 1HB LEU 17 2.961 2.191 -0.611 110 HG LEU 17 HG LEU 17 2.849 0.312 0.926 111 1HD1 LEU 17 1HD1 LEU 17 3.918 2.341 2.865 112 2HD1 LEU 17 2HD1 LEU 17 4.392 0.658 2.638 113 3HD1 LEU 17 3HD1 LEU 17 2.890 1.045 3.474 114 1HD2 LEU 17 1HD2 LEU 17 1.294 2.677 2.022 115 2HD2 LEU 17 2HD2 LEU 17 0.878 0.976 2.235 116 3HD2 LEU 17 3HD2 LEU 17 0.816 1.706 0.630 117 H ARG 18 H ARG 18 6.752 0.881 1.485 118 HA ARG 18 HA ARG 18 6.441 -1.737 0.186 119 1HB ARG 18 2HB ARG 18 8.597 -0.204 1.319 120 2HB ARG 18 1HB ARG 18 8.485 -1.750 2.152 121 1HG ARG 18 2HG ARG 18 8.353 -2.831 -0.159 122 2HG ARG 18 1HG ARG 18 8.809 -1.257 -0.811 123 1HD ARG 18 2HD ARG 18 10.749 -1.426 0.977 124 2HD ARG 18 1HD ARG 18 10.418 -3.152 0.865 125 HE ARG 18 HE ARG 18 11.659 -1.500 -1.158 126 1HH1 ARG 18 1HH1 ARG 18 9.190 -3.054 -2.265 127 2HH1 ARG 18 2HH1 ARG 18 9.972 -4.455 -2.916 128 1HH2 ARG 18 1HH2 ARG 18 12.960 -3.889 -1.245 129 2HH2 ARG 18 2HH2 ARG 18 12.109 -4.928 -2.340 130 H LEU 19 H LEU 19 5.384 -3.375 1.155 131 HA LEU 19 HA LEU 19 5.258 -3.499 4.065 132 1HB LEU 19 2HB LEU 19 2.883 -3.437 4.249 133 2HB LEU 19 1HB LEU 19 3.359 -2.015 3.329 134 HG LEU 19 HG LEU 19 2.997 -3.841 1.318 135 1HD1 LEU 19 1HD1 LEU 19 0.471 -4.435 2.556 136 2HD1 LEU 19 2HD1 LEU 19 1.763 -4.984 3.624 137 3HD1 LEU 19 3HD1 LEU 19 1.690 -5.559 1.959 138 1HD2 LEU 19 1HD2 LEU 19 0.611 -2.756 1.241 139 2HD2 LEU 19 2HD2 LEU 19 2.026 -1.714 1.080 140 3HD2 LEU 19 3HD2 LEU 19 1.180 -1.823 2.623 141 H TYR 20 H TYR 20 3.707 -5.348 4.692 142 HA TYR 20 HA TYR 20 4.359 -7.712 3.047 143 1HB TYR 20 2HB TYR 20 5.320 -7.450 5.422 144 2HB TYR 20 1HB TYR 20 3.673 -7.697 5.989 145 HD1 TYR 20 HD1 TYR 20 5.986 -9.245 3.451 146 HD2 TYR 20 HD2 TYR 20 3.145 -9.859 6.615 147 HE1 TYR 20 HE1 TYR 20 6.296 -11.695 3.252 148 HE2 TYR 20 HE2 TYR 20 3.449 -12.306 6.417 149 HH TYR 20 HH TYR 20 5.991 -13.718 4.873 150 H ILE 21 H ILE 21 2.550 -7.755 1.772 151 HA ILE 21 HA ILE 21 -0.087 -7.292 2.768 152 HB ILE 21 HB ILE 21 1.212 -7.652 0.230 153 1HG1 ILE 21 2HG1 ILE 21 -0.293 -5.786 1.071 154 2HG1 ILE 21 1HG1 ILE 21 -0.628 -6.351 -0.563 155 1HG2 ILE 21 1HG2 ILE 21 -1.271 -9.335 0.632 156 2HG2 ILE 21 2HG2 ILE 21 0.315 -9.887 0.089 157 3HG2 ILE 21 3HG2 ILE 21 -0.654 -8.835 -0.943 158 1HD1 ILE 21 1HD1 ILE 21 -2.091 -7.756 1.603 159 2HD1 ILE 21 2HD1 ILE 21 -2.648 -7.241 0.011 160 3HD1 ILE 21 3HD1 ILE 21 -2.547 -6.073 1.329 161 H GLN 22 H GLN 22 -1.428 -8.635 3.740 162 HA GLN 22 HA GLN 22 -0.856 -11.542 3.697 163 1HB GLN 22 2HB GLN 22 -1.179 -9.686 5.905 164 2HB GLN 22 1HB GLN 22 -2.386 -10.966 5.987 165 1HG GLN 22 2HG GLN 22 0.595 -11.408 5.664 166 2HG GLN 22 1HG GLN 22 -0.296 -11.571 7.176 167 1HE2 GLN 22 1HE2 GLN 22 0.990 -13.455 4.818 168 2HE2 GLN 22 2HE2 GLN 22 -0.114 -14.744 4.830 169 HA PRO 23 HA PRO 23 -5.031 -11.007 1.909 170 1HB PRO 23 2HB PRO 23 -4.525 -13.337 0.292 171 2HB PRO 23 1HB PRO 23 -4.658 -11.649 -0.224 172 1HG PRO 23 2HG PRO 23 -2.349 -13.167 -0.258 173 2HG PRO 23 1HG PRO 23 -2.425 -11.400 -0.330 174 1HD PRO 23 2HD PRO 23 -1.739 -13.162 1.973 175 2HD PRO 23 1HD PRO 23 -1.185 -11.514 1.602 176 H LYS 24 H LYS 24 -6.929 -12.176 2.167 177 HA LYS 24 HA LYS 24 -8.372 -13.810 2.882 178 1HB LYS 24 2HB LYS 24 -5.941 -15.481 3.545 179 2HB LYS 24 1HB LYS 24 -7.607 -16.036 3.435 180 1HG LYS 24 2HG LYS 24 -7.675 -15.453 1.052 181 2HG LYS 24 1HG LYS 24 -6.026 -14.833 1.142 182 1HD LYS 24 2HD LYS 24 -6.854 -17.699 1.706 183 2HD LYS 24 1HD LYS 24 -6.072 -17.134 0.229 184 1HE LYS 24 2HE LYS 24 -4.178 -17.775 1.362 185 2HE LYS 24 1HE LYS 24 -4.326 -16.148 2.031 186 1HZ LYS 24 1HZ LYS 24 -5.968 -17.896 3.494 187 2HZ LYS 24 2HZ LYS 24 -4.618 -17.017 4.029 188 3HZ LYS 24 3HZ LYS 24 -4.419 -18.581 3.391 189 H ALA 25 H ALA 25 -7.693 -11.668 4.549 190 HA ALA 25 HA ALA 25 -7.460 -12.888 7.207 191 1HB ALA 25 1HB ALA 25 -6.201 -10.694 6.188 192 2HB ALA 25 2HB ALA 25 -6.528 -10.936 7.907 193 3HB ALA 25 3HB ALA 25 -7.619 -9.949 6.933 194 H SER 26 H SER 26 -8.972 -11.784 8.843 195 HA SER 26 HA SER 26 -11.648 -12.226 8.021 196 1HB SER 26 2HB SER 26 -12.141 -10.989 10.247 197 2HB SER 26 1HB SER 26 -11.263 -12.513 10.316 198 HG SER 26 HG SER 26 -9.444 -10.693 9.946 199 H ARG 27 H ARG 27 -9.560 -9.521 7.734 200 HA ARG 27 HA ARG 27 -11.376 -8.018 6.176 201 1HB ARG 27 2HB ARG 27 -11.604 -6.056 7.793 202 2HB ARG 27 1HB ARG 27 -12.607 -7.463 8.142 203 1HG ARG 27 2HG ARG 27 -10.849 -8.254 9.745 204 2HG ARG 27 1HG ARG 27 -9.968 -6.755 9.464 205 1HD ARG 27 2HD ARG 27 -12.602 -7.172 10.848 206 2HD ARG 27 1HD ARG 27 -11.206 -6.239 11.380 207 HE ARG 27 HE ARG 27 -12.940 -5.362 9.139 208 1HH1 ARG 27 1HH1 ARG 27 -10.353 -3.907 9.997 209 2HH1 ARG 27 2HH1 ARG 27 -11.008 -2.602 10.928 210 1HH2 ARG 27 1HH2 ARG 27 -14.148 -4.042 11.230 211 2HH2 ARG 27 2HH2 ARG 27 -13.156 -2.678 11.627 212 H ASP 28 H ASP 28 -10.453 -5.851 5.598 213 HA ASP 28 HA ASP 28 -7.562 -5.991 5.460 214 1HB ASP 28 2HB ASP 28 -8.974 -3.556 4.575 215 2HB ASP 28 1HB ASP 28 -7.672 -4.436 3.793 216 H SER 29 H SER 29 -6.854 -5.694 7.509 217 HA SER 29 HA SER 29 -7.226 -2.995 8.648 218 1HB SER 29 2HB SER 29 -8.135 -5.394 9.775 219 2HB SER 29 1HB SER 29 -6.690 -4.973 10.688 220 HG SER 29 HG SER 29 -7.698 -3.296 11.479 221 H ILE 30 H ILE 30 -5.441 -1.953 9.304 222 HA ILE 30 HA ILE 30 -2.852 -3.264 8.881 223 HB ILE 30 HB ILE 30 -2.265 -0.691 9.636 224 1HG1 ILE 30 2HG1 ILE 30 -4.920 -0.661 8.154 225 2HG1 ILE 30 1HG1 ILE 30 -4.628 -0.039 9.779 226 1HG2 ILE 30 1HG2 ILE 30 -1.576 -2.070 7.605 227 2HG2 ILE 30 2HG2 ILE 30 -1.784 -0.343 7.324 228 3HG2 ILE 30 3HG2 ILE 30 -3.038 -1.475 6.820 229 1HD1 ILE 30 1HD1 ILE 30 -4.554 1.865 8.343 230 2HD1 ILE 30 2HD1 ILE 30 -3.549 1.025 7.163 231 3HD1 ILE 30 3HD1 ILE 30 -2.873 1.496 8.723 232 H VAL 31 H VAL 31 -3.559 -4.606 10.783 233 HA VAL 31 HA VAL 31 -3.071 -3.365 13.393 234 HB VAL 31 HB VAL 31 -4.037 -6.152 12.706 235 1HG1 VAL 31 1HG1 VAL 31 -3.424 -4.719 15.236 236 2HG1 VAL 31 2HG1 VAL 31 -3.410 -6.448 14.887 237 3HG1 VAL 31 3HG1 VAL 31 -4.937 -5.627 15.208 238 1HG2 VAL 31 1HG2 VAL 31 -5.734 -3.937 13.833 239 2HG2 VAL 31 2HG2 VAL 31 -6.233 -5.371 12.937 240 3HG2 VAL 31 3HG2 VAL 31 -5.461 -4.029 12.094 241 H GLY 32 H GLY 32 -0.960 -4.150 11.247 242 1HA GLY 32 2HA GLY 32 0.827 -5.494 13.160 243 2HA GLY 32 1HA GLY 32 0.618 -6.201 11.561 244 H LEU 33 H LEU 33 0.530 -2.799 12.181 245 HA LEU 33 HA LEU 33 2.543 -2.231 10.237 246 1HB LEU 33 2HB LEU 33 1.120 -0.538 12.296 247 2HB LEU 33 1HB LEU 33 2.209 0.118 11.071 248 HG LEU 33 HG LEU 33 -0.422 -1.313 10.662 249 1HD1 LEU 33 1HD1 LEU 33 -0.863 0.966 10.858 250 2HD1 LEU 33 2HD1 LEU 33 -0.605 0.817 9.120 251 3HD1 LEU 33 3HD1 LEU 33 0.685 1.431 10.152 252 1HD2 LEU 33 1HD2 LEU 33 1.909 -0.953 8.805 253 2HD2 LEU 33 2HD2 LEU 33 0.275 -0.860 8.149 254 3HD2 LEU 33 3HD2 LEU 33 0.815 -2.329 8.966 255 H HIS 34 H HIS 34 4.667 -2.284 10.514 256 HA HIS 34 HA HIS 34 5.729 -2.172 13.264 257 1HB HIS 34 2HB HIS 34 6.022 -4.250 11.762 258 2HB HIS 34 1HB HIS 34 7.203 -3.289 10.889 259 HD1 HIS 34 HD1 HIS 34 9.308 -2.433 12.350 260 HD2 HIS 34 HD2 HIS 34 6.897 -5.281 14.194 261 HE1 HIS 34 HE1 HIS 34 10.633 -3.317 14.311 262 H GLY 35 H GLY 35 7.777 -1.085 13.615 263 1HA GLY 35 2HA GLY 35 7.874 1.498 12.443 264 2HA GLY 35 1HA GLY 35 9.098 0.806 13.504 265 H ASP 36 H ASP 36 9.290 -1.518 11.571 266 HA ASP 36 HA ASP 36 10.905 -0.197 9.480 267 1HB ASP 36 2HB ASP 36 11.481 -2.865 10.788 268 2HB ASP 36 1HB ASP 36 12.470 -2.049 9.586 269 H GLU 37 H GLU 37 8.143 -1.887 10.025 270 HA GLU 37 HA GLU 37 8.090 -2.866 7.268 271 1HB GLU 37 2HB GLU 37 7.032 -4.760 9.323 272 2HB GLU 37 1HB GLU 37 7.669 -5.095 7.718 273 1HG GLU 37 2HG GLU 37 9.462 -4.104 9.944 274 2HG GLU 37 1HG GLU 37 9.092 -5.811 9.761 275 H VAL 38 H VAL 38 5.782 -3.848 6.893 276 HA VAL 38 HA VAL 38 3.723 -2.444 8.442 277 HB VAL 38 HB VAL 38 4.223 -2.100 5.485 278 1HG1 VAL 38 1HG1 VAL 38 2.008 -1.898 5.057 279 2HG1 VAL 38 2HG1 VAL 38 1.804 -0.809 6.427 280 3HG1 VAL 38 3HG1 VAL 38 1.693 -2.551 6.667 281 1HG2 VAL 38 1HG2 VAL 38 5.266 -0.408 6.815 282 2HG2 VAL 38 2HG2 VAL 38 3.841 -0.244 7.841 283 3HG2 VAL 38 3HG2 VAL 38 3.794 0.314 6.168 284 H LYS 39 H LYS 39 2.551 -4.164 9.112 285 HA LYS 39 HA LYS 39 2.078 -6.275 7.114 286 1HB LYS 39 2HB LYS 39 3.129 -6.504 9.640 287 2HB LYS 39 1HB LYS 39 1.427 -6.926 9.889 288 1HG LYS 39 2HG LYS 39 1.795 -8.304 7.649 289 2HG LYS 39 1HG LYS 39 3.478 -8.263 8.167 290 1HD LYS 39 2HD LYS 39 2.434 -10.283 9.030 291 2HD LYS 39 1HD LYS 39 2.770 -9.201 10.377 292 1HE LYS 39 2HE LYS 39 0.559 -8.909 10.841 293 2HE LYS 39 1HE LYS 39 0.129 -8.776 9.137 294 1HZ LYS 39 1HZ LYS 39 0.437 -11.196 10.786 295 2HZ LYS 39 2HZ LYS 39 0.623 -11.283 9.099 296 3HZ LYS 39 3HZ LYS 39 -0.845 -10.751 9.769 297 H VAL 40 H VAL 40 0.258 -5.957 6.113 298 HA VAL 40 HA VAL 40 -2.143 -5.240 7.683 299 HB VAL 40 HB VAL 40 -1.354 -3.553 5.940 300 1HG1 VAL 40 1HG1 VAL 40 -2.457 -5.527 3.942 301 2HG1 VAL 40 2HG1 VAL 40 -0.732 -5.437 4.299 302 3HG1 VAL 40 3HG1 VAL 40 -1.570 -4.036 3.632 303 1HG2 VAL 40 1HG2 VAL 40 -3.700 -3.699 6.796 304 2HG2 VAL 40 2HG2 VAL 40 -4.079 -4.812 5.483 305 3HG2 VAL 40 3HG2 VAL 40 -3.625 -3.145 5.124 306 H ALA 41 H ALA 41 -3.776 -6.673 7.655 307 HA ALA 41 HA ALA 41 -3.476 -9.022 5.907 308 1HB ALA 41 1HB ALA 41 -4.533 -10.275 7.506 309 2HB ALA 41 2HB ALA 41 -5.588 -8.952 7.998 310 3HB ALA 41 3HB ALA 41 -3.919 -9.004 8.565 311 H ILE 42 H ILE 42 -4.486 -8.692 4.007 312 HA ILE 42 HA ILE 42 -7.018 -7.198 3.994 313 HB ILE 42 HB ILE 42 -5.128 -6.641 2.387 314 1HG1 ILE 42 2HG1 ILE 42 -7.680 -7.519 1.008 315 2HG1 ILE 42 1HG1 ILE 42 -7.603 -6.111 2.064 316 1HG2 ILE 42 1HG2 ILE 42 -4.839 -8.090 0.441 317 2HG2 ILE 42 2HG2 ILE 42 -6.017 -9.234 1.083 318 3HG2 ILE 42 3HG2 ILE 42 -4.479 -8.993 1.912 319 1HD1 ILE 42 1HD1 ILE 42 -6.768 -4.876 0.390 320 2HD1 ILE 42 2HD1 ILE 42 -6.879 -6.272 -0.682 321 3HD1 ILE 42 3HD1 ILE 42 -5.403 -5.983 0.236 322 H THR 43 H THR 43 -8.886 -8.076 2.990 323 HA THR 43 HA THR 43 -9.076 -10.973 3.361 324 HB THR 43 HB THR 43 -10.719 -9.324 4.383 325 HG1 THR 43 HG1 THR 43 -11.523 -11.278 4.424 326 1HG2 THR 43 1HG2 THR 43 -12.312 -8.239 3.060 327 2HG2 THR 43 2HG2 THR 43 -12.047 -9.312 1.686 328 3HG2 THR 43 3HG2 THR 43 -10.855 -8.075 2.080 329 H ALA 44 H ALA 44 -7.827 -9.599 0.951 330 HA ALA 44 HA ALA 44 -9.602 -10.337 -1.229 331 1HB ALA 44 1HB ALA 44 -7.601 -8.472 -1.000 332 2HB ALA 44 2HB ALA 44 -8.269 -9.048 -2.526 333 3HB ALA 44 3HB ALA 44 -6.792 -9.764 -1.884 334 HA PRO 45 HA PRO 45 -7.965 -14.372 -1.897 335 1HB PRO 45 2HB PRO 45 -8.123 -14.195 -4.778 336 2HB PRO 45 1HB PRO 45 -9.260 -14.970 -3.661 337 1HG PRO 45 2HG PRO 45 -9.783 -12.719 -5.139 338 2HG PRO 45 1HG PRO 45 -10.649 -13.193 -3.673 339 1HD PRO 45 2HD PRO 45 -8.515 -11.121 -4.012 340 2HD PRO 45 1HD PRO 45 -9.920 -11.135 -2.920 341 HA PRO 46 HA PRO 46 -3.721 -14.333 -3.114 342 1HB PRO 46 2HB PRO 46 -3.723 -16.912 -4.411 343 2HB PRO 46 1HB PRO 46 -3.211 -16.511 -2.766 344 1HG PRO 46 2HG PRO 46 -5.425 -18.018 -3.430 345 2HG PRO 46 1HG PRO 46 -5.155 -17.216 -1.874 346 1HD PRO 46 2HD PRO 46 -6.914 -16.388 -4.139 347 2HD PRO 46 1HD PRO 46 -7.112 -16.120 -2.393 348 H VAL 47 H VAL 47 -5.983 -13.900 -5.389 349 HA VAL 47 HA VAL 47 -4.163 -14.133 -7.696 350 HB VAL 47 HB VAL 47 -6.423 -15.138 -7.920 351 1HG1 VAL 47 1HG1 VAL 47 -7.586 -12.373 -8.008 352 2HG1 VAL 47 2HG1 VAL 47 -7.416 -13.185 -6.454 353 3HG1 VAL 47 3HG1 VAL 47 -8.395 -13.913 -7.727 354 1HG2 VAL 47 1HG2 VAL 47 -5.138 -14.158 -9.868 355 2HG2 VAL 47 2HG2 VAL 47 -6.096 -12.689 -9.680 356 3HG2 VAL 47 3HG2 VAL 47 -6.886 -14.207 -10.104 357 H ASP 48 H ASP 48 -3.567 -12.372 -8.901 358 HA ASP 48 HA ASP 48 -3.329 -9.889 -7.589 359 1HB ASP 48 2HB ASP 48 -3.163 -9.965 -10.562 360 2HB ASP 48 1HB ASP 48 -2.086 -9.208 -9.391 361 H GLY 49 H GLY 49 -5.490 -10.920 -10.222 362 1HA GLY 49 2HA GLY 49 -6.717 -8.582 -10.912 363 2HA GLY 49 1HA GLY 49 -7.572 -10.116 -10.826 364 H GLN 50 H GLN 50 -7.814 -10.691 -8.245 365 HA GLN 50 HA GLN 50 -9.695 -8.710 -7.316 366 1HB GLN 50 2HB GLN 50 -8.841 -11.419 -6.301 367 2HB GLN 50 1HB GLN 50 -9.984 -10.394 -5.427 368 1HG GLN 50 2HG GLN 50 -11.233 -10.238 -7.711 369 2HG GLN 50 1HG GLN 50 -10.294 -11.664 -8.142 370 1HE2 GLN 50 1HE2 GLN 50 -11.994 -10.641 -5.113 371 2HE2 GLN 50 2HE2 GLN 50 -12.857 -12.092 -4.943 372 H ALA 51 H ALA 51 -6.514 -9.898 -6.257 373 HA ALA 51 HA ALA 51 -6.496 -8.488 -3.780 374 1HB ALA 51 1HB ALA 51 -4.092 -8.956 -3.761 375 2HB ALA 51 2HB ALA 51 -4.160 -9.436 -5.456 376 3HB ALA 51 3HB ALA 51 -4.999 -10.392 -4.234 377 H ASN 52 H ASN 52 -4.705 -7.837 -6.793 378 HA ASN 52 HA ASN 52 -3.676 -5.344 -6.183 379 1HB ASN 52 2HB ASN 52 -3.196 -6.735 -8.228 380 2HB ASN 52 1HB ASN 52 -4.723 -6.182 -8.899 381 1HD2 ASN 52 1HD2 ASN 52 -1.665 -5.618 -9.477 382 2HD2 ASN 52 2HD2 ASN 52 -1.637 -3.931 -9.662 383 H SER 53 H SER 53 -6.893 -6.167 -7.471 384 HA SER 53 HA SER 53 -7.866 -3.622 -8.038 385 1HB SER 53 2HB SER 53 -9.199 -5.528 -8.609 386 2HB SER 53 1HB SER 53 -9.266 -6.062 -6.933 387 HG SER 53 HG SER 53 -10.263 -3.562 -7.825 388 H HIS 54 H HIS 54 -8.057 -5.392 -4.944 389 HA HIS 54 HA HIS 54 -9.391 -3.463 -3.433 390 1HB HIS 54 2HB HIS 54 -7.475 -5.670 -2.783 391 2HB HIS 54 1HB HIS 54 -7.885 -4.508 -1.523 392 HD1 HIS 54 HD1 HIS 54 -10.557 -5.165 -3.990 393 HD2 HIS 54 HD2 HIS 54 -9.394 -6.675 -0.282 394 HE1 HIS 54 HE1 HIS 54 -12.516 -6.512 -3.120 395 H LEU 55 H LEU 55 -5.837 -3.953 -3.653 396 HA LEU 55 HA LEU 55 -5.036 -1.834 -2.071 397 1HB LEU 55 2HB LEU 55 -3.841 -3.305 -4.355 398 2HB LEU 55 1HB LEU 55 -3.129 -1.736 -3.989 399 HG LEU 55 HG LEU 55 -1.972 -3.485 -2.742 400 1HD1 LEU 55 1HD1 LEU 55 -1.857 -2.341 -0.751 401 2HD1 LEU 55 2HD1 LEU 55 -3.610 -2.214 -0.597 402 3HD1 LEU 55 3HD1 LEU 55 -2.744 -1.148 -1.705 403 1HD2 LEU 55 1HD2 LEU 55 -4.450 -4.068 -1.154 404 2HD2 LEU 55 2HD2 LEU 55 -3.024 -5.074 -1.402 405 3HD2 LEU 55 3HD2 LEU 55 -4.208 -4.891 -2.695 406 H VAL 56 H VAL 56 -5.670 -1.777 -5.573 407 HA VAL 56 HA VAL 56 -5.229 0.952 -6.007 408 HB VAL 56 HB VAL 56 -6.214 -1.271 -7.482 409 1HG1 VAL 56 1HG1 VAL 56 -8.019 -0.245 -8.800 410 2HG1 VAL 56 2HG1 VAL 56 -7.972 1.190 -7.776 411 3HG1 VAL 56 3HG1 VAL 56 -8.492 -0.356 -7.104 412 1HG2 VAL 56 1HG2 VAL 56 -5.545 1.570 -8.321 413 2HG2 VAL 56 2HG2 VAL 56 -5.638 0.181 -9.406 414 3HG2 VAL 56 3HG2 VAL 56 -4.396 0.241 -8.156 415 H LYS 57 H LYS 57 -7.875 -0.734 -4.528 416 HA LYS 57 HA LYS 57 -9.710 1.520 -4.622 417 1HB LYS 57 2HB LYS 57 -10.369 -0.954 -4.679 418 2HB LYS 57 1HB LYS 57 -9.980 -0.988 -2.962 419 1HG LYS 57 2HG LYS 57 -11.596 0.833 -2.557 420 2HG LYS 57 1HG LYS 57 -11.976 0.864 -4.274 421 1HD LYS 57 2HD LYS 57 -13.679 -0.449 -3.170 422 2HD LYS 57 1HD LYS 57 -12.662 -1.551 -4.100 423 1HE LYS 57 2HE LYS 57 -11.854 -1.005 -1.278 424 2HE LYS 57 1HE LYS 57 -13.276 -2.018 -1.529 425 1HZ LYS 57 1HZ LYS 57 -10.529 -2.645 -1.925 426 2HZ LYS 57 2HZ LYS 57 -11.423 -2.917 -3.343 427 3HZ LYS 57 3HZ LYS 57 -11.873 -3.678 -1.891 428 H PHE 58 H PHE 58 -8.369 -0.407 -1.927 429 HA PHE 58 HA PHE 58 -8.921 1.346 0.146 430 1HB PHE 58 2HB PHE 58 -7.852 -1.072 0.069 431 2HB PHE 58 1HB PHE 58 -6.339 -0.175 0.140 432 HD1 PHE 58 HD1 PHE 58 -9.634 -0.592 1.861 433 HD2 PHE 58 HD2 PHE 58 -5.550 0.705 2.183 434 HE1 PHE 58 HE1 PHE 58 -9.911 -0.320 4.311 435 HE2 PHE 58 HE2 PHE 58 -5.829 0.978 4.630 436 HZ PHE 58 HZ PHE 58 -8.005 0.461 5.698 437 H LEU 59 H LEU 59 -5.870 1.058 -1.674 438 HA LEU 59 HA LEU 59 -4.621 3.318 -0.510 439 1HB LEU 59 2HB LEU 59 -3.793 1.277 -2.104 440 2HB LEU 59 1HB LEU 59 -3.851 2.586 -3.276 441 HG LEU 59 HG LEU 59 -1.628 2.314 -2.138 442 1HD1 LEU 59 1HD1 LEU 59 -1.483 4.781 -1.451 443 2HD1 LEU 59 2HD1 LEU 59 -3.195 4.873 -1.852 444 3HD1 LEU 59 3HD1 LEU 59 -2.024 4.440 -3.092 445 1HD2 LEU 59 1HD2 LEU 59 -2.633 3.633 0.317 446 2HD2 LEU 59 2HD2 LEU 59 -1.384 2.401 0.128 447 3HD2 LEU 59 3HD2 LEU 59 -3.085 1.938 0.137 448 H GLY 60 H GLY 60 -6.172 2.896 -3.704 449 1HA GLY 60 2HA GLY 60 -5.899 5.485 -4.665 450 2HA GLY 60 1HA GLY 60 -7.208 4.399 -5.104 451 H LYS 61 H LYS 61 -8.501 4.172 -2.621 452 HA LYS 61 HA LYS 61 -10.014 6.611 -2.610 453 1HB LYS 61 2HB LYS 61 -10.534 3.993 -1.912 454 2HB LYS 61 1HB LYS 61 -10.454 4.795 -0.346 455 1HG LYS 61 2HG LYS 61 -12.114 6.438 -1.065 456 2HG LYS 61 1HG LYS 61 -12.130 5.746 -2.689 457 1HD LYS 61 2HD LYS 61 -14.053 4.960 -1.321 458 2HD LYS 61 1HD LYS 61 -13.003 3.631 -1.814 459 1HE LYS 61 2HE LYS 61 -12.180 3.300 0.327 460 2HE LYS 61 1HE LYS 61 -12.440 4.978 0.801 461 1HZ LYS 61 1HZ LYS 61 -14.338 4.354 1.718 462 2HZ LYS 61 2HZ LYS 61 -14.139 2.759 1.163 463 3HZ LYS 61 3HZ LYS 61 -14.928 3.907 0.193 464 H GLN 62 H GLN 62 -7.785 5.061 -0.303 465 HA GLN 62 HA GLN 62 -8.067 7.000 1.744 466 1HB GLN 62 2HB GLN 62 -5.799 5.100 1.105 467 2HB GLN 62 1HB GLN 62 -5.900 6.066 2.579 468 1HG GLN 62 2HG GLN 62 -8.279 4.415 1.840 469 2HG GLN 62 1HG GLN 62 -6.864 3.574 2.472 470 1HE2 GLN 62 1HE2 GLN 62 -6.171 4.106 4.688 471 2HE2 GLN 62 2HE2 GLN 62 -7.232 4.880 5.764 472 H PHE 63 H PHE 63 -5.748 6.674 -0.927 473 HA PHE 63 HA PHE 63 -4.398 9.140 -0.185 474 1HB PHE 63 2HB PHE 63 -3.921 6.923 -2.080 475 2HB PHE 63 1HB PHE 63 -3.386 8.509 -2.628 476 HD1 PHE 63 HD1 PHE 63 -2.985 5.902 -0.047 477 HD2 PHE 63 HD2 PHE 63 -1.643 9.724 -1.487 478 HE1 PHE 63 HE1 PHE 63 -1.016 5.780 1.460 479 HE2 PHE 63 HE2 PHE 63 0.324 9.603 0.022 480 HZ PHE 63 HZ PHE 63 0.640 7.629 1.491 481 H ARG 64 H ARG 64 -7.002 8.163 -2.183 482 HA ARG 64 HA ARG 64 -8.374 9.290 -3.618 483 1HB ARG 64 2HB ARG 64 -7.272 11.351 -1.825 484 2HB ARG 64 1HB ARG 64 -7.882 11.955 -3.360 485 1HG ARG 64 2HG ARG 64 -10.006 10.681 -2.957 486 2HG ARG 64 1HG ARG 64 -9.394 10.262 -1.356 487 1HD ARG 64 2HD ARG 64 -9.058 12.834 -1.080 488 2HD ARG 64 1HD ARG 64 -10.184 12.963 -2.428 489 HE ARG 64 HE ARG 64 -10.874 12.372 0.260 490 1HH1 ARG 64 1HH2 ARG 64 -11.356 9.864 -1.616 491 2HH1 ARG 64 2HH2 ARG 64 -13.056 10.039 -1.892 492 1HH2 ARG 64 1HH1 ARG 64 -13.185 13.287 -0.686 493 2HH2 ARG 64 2HH1 ARG 64 -14.093 11.976 -1.358 494 H VAL 65 H VAL 65 -5.170 9.029 -4.046 495 HA VAL 65 HA VAL 65 -4.744 10.912 -6.193 496 HB VAL 65 HB VAL 65 -2.639 9.674 -6.561 497 1HG1 VAL 65 1HG1 VAL 65 -1.750 9.931 -4.168 498 2HG1 VAL 65 2HG1 VAL 65 -3.392 10.414 -3.739 499 3HG1 VAL 65 3HG1 VAL 65 -2.474 11.356 -4.911 500 1HG2 VAL 65 1HG2 VAL 65 -3.120 7.405 -6.172 501 2HG2 VAL 65 2HG2 VAL 65 -3.932 7.743 -4.643 502 3HG2 VAL 65 3HG2 VAL 65 -2.175 7.853 -4.753 503 H ALA 66 H ALA 66 -4.434 10.340 -8.408 504 HA ALA 66 HA ALA 66 -6.516 8.950 -9.564 505 1HB ALA 66 1HB ALA 66 -3.951 8.980 -11.053 506 2HB ALA 66 2HB ALA 66 -4.587 10.535 -10.524 507 3HB ALA 66 3HB ALA 66 -5.560 9.490 -11.562 508 H LYS 67 H LYS 67 -6.540 6.992 -10.849 509 HA LYS 67 HA LYS 67 -5.570 4.730 -9.398 510 1HB LYS 67 2HB LYS 67 -6.598 3.412 -11.199 511 2HB LYS 67 1HB LYS 67 -7.692 4.679 -10.647 512 1HG LYS 67 2HG LYS 67 -6.680 6.108 -12.566 513 2HG LYS 67 1HG LYS 67 -6.081 4.574 -13.198 514 1HD LYS 67 2HD LYS 67 -8.260 3.711 -13.503 515 2HD LYS 67 1HD LYS 67 -8.980 4.914 -12.433 516 1HE LYS 67 2HE LYS 67 -9.253 5.223 -15.004 517 2HE LYS 67 1HE LYS 67 -8.810 6.627 -14.034 518 1HZ LYS 67 1HZ LYS 67 -7.458 5.711 -16.195 519 2HZ LYS 67 2HZ LYS 67 -6.551 5.084 -14.903 520 3HZ LYS 67 3HZ LYS 67 -6.832 6.756 -15.017 521 H SER 68 H SER 68 -4.478 6.594 -12.073 522 HA SER 68 HA SER 68 -2.532 4.679 -13.021 523 1HB SER 68 2HB SER 68 -3.240 6.028 -14.757 524 2HB SER 68 1HB SER 68 -3.404 7.447 -13.726 525 HG SER 68 HG SER 68 -1.542 7.293 -15.276 526 H GLN 69 H GLN 69 -2.729 6.900 -10.471 527 HA GLN 69 HA GLN 69 0.137 7.478 -10.370 528 1HB GLN 69 2HB GLN 69 -2.208 8.271 -8.632 529 2HB GLN 69 1HB GLN 69 -0.545 8.659 -8.219 530 1HG GLN 69 2HG GLN 69 -2.264 10.171 -9.834 531 2HG GLN 69 1HG GLN 69 -0.536 10.417 -9.625 532 1HE2 GLN 69 1HE2 GLN 69 0.785 10.075 -11.445 533 2HE2 GLN 69 2HE2 GLN 69 0.227 9.428 -12.914 534 H VAL 70 H VAL 70 -1.995 5.064 -9.292 535 HA VAL 70 HA VAL 70 -0.194 4.294 -7.090 536 HB VAL 70 HB VAL 70 -2.402 4.433 -6.254 537 1HG1 VAL 70 1HG1 VAL 70 -3.534 4.522 -8.474 538 2HG1 VAL 70 2HG1 VAL 70 -4.346 3.443 -7.344 539 3HG1 VAL 70 3HG1 VAL 70 -3.331 2.777 -8.621 540 1HG2 VAL 70 1HG2 VAL 70 -2.319 1.511 -6.962 541 2HG2 VAL 70 2HG2 VAL 70 -2.735 2.271 -5.428 542 3HG2 VAL 70 3HG2 VAL 70 -1.053 2.201 -5.947 543 H VAL 71 H VAL 71 1.418 3.189 -8.029 544 HA VAL 71 HA VAL 71 0.696 0.886 -9.751 545 HB VAL 71 HB VAL 71 3.359 2.311 -9.708 546 1HG1 VAL 71 1HG1 VAL 71 3.760 1.106 -11.760 547 2HG1 VAL 71 2HG1 VAL 71 2.097 0.520 -11.804 548 3HG1 VAL 71 3HG1 VAL 71 3.206 -0.069 -10.566 549 1HG2 VAL 71 1HG2 VAL 71 1.703 3.921 -10.442 550 2HG2 VAL 71 2HG2 VAL 71 0.933 2.721 -11.482 551 3HG2 VAL 71 3HG2 VAL 71 2.544 3.323 -11.872 552 H ILE 72 H ILE 72 1.001 -1.039 -8.905 553 HA ILE 72 HA ILE 72 2.668 -1.419 -6.521 554 HB ILE 72 HB ILE 72 0.893 -3.382 -8.008 555 1HG1 ILE 72 2HG1 ILE 72 0.262 -1.974 -5.408 556 2HG1 ILE 72 1HG1 ILE 72 -0.188 -1.270 -6.961 557 1HG2 ILE 72 1HG2 ILE 72 2.434 -4.616 -6.681 558 2HG2 ILE 72 2HG2 ILE 72 0.984 -4.492 -5.684 559 3HG2 ILE 72 3HG2 ILE 72 2.364 -3.442 -5.366 560 1HD1 ILE 72 1HD1 ILE 72 -1.921 -2.783 -5.756 561 2HD1 ILE 72 2HD1 ILE 72 -0.911 -4.122 -6.302 562 3HD1 ILE 72 3HD1 ILE 72 -1.651 -3.036 -7.479 563 H GLU 73 H GLU 73 4.747 -1.222 -7.388 564 HA GLU 73 HA GLU 73 5.677 -2.592 -9.696 565 1HB GLU 73 2HB GLU 73 6.971 -1.197 -7.383 566 2HB GLU 73 1HB GLU 73 7.965 -2.200 -8.440 567 1HG GLU 73 2HG GLU 73 7.432 -0.903 -10.355 568 2HG GLU 73 1HG GLU 73 6.083 -0.111 -9.543 569 H LYS 74 H LYS 74 4.495 -3.947 -6.996 570 HA LYS 74 HA LYS 74 5.260 -6.536 -7.443 571 1HB LYS 74 2HB LYS 74 7.393 -5.042 -6.156 572 2HB LYS 74 1HB LYS 74 6.813 -6.334 -5.109 573 1HG LYS 74 2HG LYS 74 7.293 -8.009 -6.708 574 2HG LYS 74 1HG LYS 74 7.407 -6.840 -8.025 575 1HD LYS 74 2HD LYS 74 9.478 -5.955 -7.170 576 2HD LYS 74 1HD LYS 74 9.318 -6.876 -5.674 577 1HE LYS 74 2HE LYS 74 9.819 -8.912 -6.719 578 2HE LYS 74 1HE LYS 74 9.385 -8.310 -8.319 579 1HZ LYS 74 1HZ LYS 74 11.791 -8.502 -8.015 580 2HZ LYS 74 2HZ LYS 74 11.721 -7.395 -6.729 581 3HZ LYS 74 3HZ LYS 74 11.319 -6.899 -8.304 582 H GLY 75 H GLY 75 4.117 -7.854 -6.112 583 1HA GLY 75 2HA GLY 75 3.282 -8.113 -3.719 584 2HA GLY 75 1HA GLY 75 2.555 -6.528 -3.979 585 H GLU 76 H GLU 76 2.274 -7.457 -6.900 586 HA GLU 76 HA GLU 76 -0.367 -7.861 -7.181 587 1HB GLU 76 2HB GLU 76 1.889 -9.221 -8.649 588 2HB GLU 76 1HB GLU 76 0.206 -9.458 -9.116 589 1HG GLU 76 2HG GLU 76 -0.082 -7.066 -9.448 590 2HG GLU 76 1HG GLU 76 1.556 -6.761 -8.875 591 H LEU 77 H LEU 77 1.934 -10.467 -6.441 592 HA LEU 77 HA LEU 77 -0.327 -12.083 -5.435 593 1HB LEU 77 2HB LEU 77 0.814 -12.721 -7.735 594 2HB LEU 77 1HB LEU 77 2.048 -13.411 -6.680 595 HG LEU 77 HG LEU 77 -0.794 -14.021 -6.008 596 1HD1 LEU 77 1HD1 LEU 77 -0.843 -15.882 -7.635 597 2HD1 LEU 77 2HD1 LEU 77 0.683 -15.321 -8.318 598 3HD1 LEU 77 3HD1 LEU 77 -0.765 -14.323 -8.453 599 1HD2 LEU 77 1HD2 LEU 77 1.658 -15.797 -6.150 600 2HD2 LEU 77 2HD2 LEU 77 0.163 -16.102 -5.266 601 3HD2 LEU 77 3HD2 LEU 77 1.255 -14.825 -4.735 602 H GLY 78 H GLY 78 3.178 -11.516 -5.352 603 1HA GLY 78 2HA GLY 78 3.816 -13.149 -3.149 604 2HA GLY 78 1HA GLY 78 4.738 -11.754 -3.685 605 H ARG 79 H ARG 79 4.404 -12.518 -0.985 606 HA ARG 79 HA ARG 79 2.389 -10.919 0.293 607 1HB ARG 79 2HB ARG 79 4.928 -12.162 1.386 608 2HB ARG 79 1HB ARG 79 3.644 -11.451 2.364 609 1HG ARG 79 2HG ARG 79 2.275 -13.249 2.098 610 2HG ARG 79 1HG ARG 79 2.708 -13.448 0.401 611 1HD ARG 79 2HD ARG 79 4.657 -14.154 2.589 612 2HD ARG 79 1HD ARG 79 3.436 -15.305 2.061 613 HE ARG 79 HE ARG 79 5.489 -14.148 0.256 614 1HH1 ARG 79 1HH2 ARG 79 5.242 -16.971 1.807 615 2HH1 ARG 79 2HH2 ARG 79 5.001 -17.994 0.429 616 1HH2 ARG 79 1HH1 ARG 79 4.400 -15.366 -1.749 617 2HH2 ARG 79 2HH1 ARG 79 4.530 -17.085 -1.582 618 H HIS 80 H HIS 80 5.728 -10.507 -0.695 619 HA HIS 80 HA HIS 80 6.181 -8.038 0.712 620 1HB HIS 80 2HB HIS 80 7.538 -9.502 -1.538 621 2HB HIS 80 1HB HIS 80 7.965 -7.821 -1.221 622 HD1 HIS 80 HD1 HIS 80 9.852 -7.591 0.366 623 HD2 HIS 80 HD2 HIS 80 7.643 -11.042 1.128 624 HE1 HIS 80 HE1 HIS 80 10.986 -8.752 2.308 625 H LYS 81 H LYS 81 5.880 -5.878 -0.112 626 HA LYS 81 HA LYS 81 4.728 -5.666 -2.782 627 1HB LYS 81 2HB LYS 81 2.685 -6.057 -1.849 628 2HB LYS 81 1HB LYS 81 3.176 -5.505 -0.255 629 1HG LYS 81 2HG LYS 81 2.922 -3.212 -0.872 630 2HG LYS 81 1HG LYS 81 2.752 -3.627 -2.583 631 1HD LYS 81 2HD LYS 81 0.874 -4.988 -0.740 632 2HD LYS 81 1HD LYS 81 0.619 -3.262 -0.928 633 1HE LYS 81 2HE LYS 81 0.044 -3.450 -3.158 634 2HE LYS 81 1HE LYS 81 1.113 -4.827 -3.416 635 1HZ LYS 81 1HZ LYS 81 -1.337 -5.014 -1.774 636 2HZ LYS 81 2HZ LYS 81 -0.408 -6.281 -2.421 637 3HZ LYS 81 3HZ LYS 81 -1.345 -5.299 -3.445 638 H GLN 82 H GLN 82 4.656 -3.587 -3.613 639 HA GLN 82 HA GLN 82 5.665 -1.375 -2.004 640 1HB GLN 82 2HB GLN 82 7.217 -0.964 -4.166 641 2HB GLN 82 1HB GLN 82 7.789 -1.831 -2.741 642 1HG GLN 82 2HG GLN 82 7.300 -3.966 -3.753 643 2HG GLN 82 1HG GLN 82 6.490 -3.190 -5.114 644 1HE2 GLN 82 1HE2 GLN 82 9.327 -4.712 -4.400 645 2HE2 GLN 82 2HE2 GLN 82 10.368 -3.898 -5.465 646 H ILE 83 H ILE 83 4.176 0.100 -2.360 647 HA ILE 83 HA ILE 83 2.936 0.247 -5.032 648 HB ILE 83 HB ILE 83 1.833 1.462 -2.502 649 1HG1 ILE 83 2HG1 ILE 83 1.400 -1.339 -3.596 650 2HG1 ILE 83 1HG1 ILE 83 2.198 -0.934 -2.079 651 1HG2 ILE 83 1HG2 ILE 83 -0.222 1.502 -3.710 652 2HG2 ILE 83 2HG2 ILE 83 0.401 0.413 -4.952 653 3HG2 ILE 83 3HG2 ILE 83 0.998 2.068 -4.850 654 1HD1 ILE 83 1HD1 ILE 83 -0.574 -1.351 -2.530 655 2HD1 ILE 83 2HD1 ILE 83 -0.367 0.356 -2.139 656 3HD1 ILE 83 3HD1 ILE 83 0.218 -0.880 -1.026 657 H LYS 84 H LYS 84 3.157 2.009 -6.219 658 HA LYS 84 HA LYS 84 4.688 4.254 -5.091 659 1HB LYS 84 2HB LYS 84 5.105 2.806 -7.378 660 2HB LYS 84 1HB LYS 84 4.192 4.178 -8.001 661 1HG LYS 84 2HG LYS 84 6.338 4.852 -6.067 662 2HG LYS 84 1HG LYS 84 6.883 4.212 -7.615 663 1HD LYS 84 2HD LYS 84 6.748 6.558 -7.953 664 2HD LYS 84 1HD LYS 84 5.287 5.913 -8.699 665 1HE LYS 84 2HE LYS 84 3.929 6.940 -7.198 666 2HE LYS 84 1HE LYS 84 4.979 6.541 -5.838 667 1HZ LYS 84 1HZ LYS 84 6.224 8.416 -6.124 668 2HZ LYS 84 2HZ LYS 84 4.708 8.989 -6.631 669 3HZ LYS 84 3HZ LYS 84 5.879 8.546 -7.779 670 H ILE 85 H ILE 85 3.554 5.982 -4.499 671 HA ILE 85 HA ILE 85 0.973 6.524 -5.828 672 HB ILE 85 HB ILE 85 2.063 7.140 -3.090 673 1HG1 ILE 85 2HG1 ILE 85 -0.256 6.326 -2.492 674 2HG1 ILE 85 1HG1 ILE 85 -0.522 5.988 -4.201 675 1HG2 ILE 85 1HG2 ILE 85 -0.205 8.509 -2.960 676 2HG2 ILE 85 2HG2 ILE 85 0.068 8.724 -4.687 677 3HG2 ILE 85 3HG2 ILE 85 1.270 9.290 -3.526 678 1HD1 ILE 85 1HD1 ILE 85 0.318 4.054 -2.676 679 2HD1 ILE 85 2HD1 ILE 85 1.882 4.860 -2.773 680 3HD1 ILE 85 3HD1 ILE 85 1.096 4.278 -4.240 681 H ILE 86 H ILE 86 1.515 7.722 -7.599 682 HA ILE 86 HA ILE 86 3.463 9.864 -7.449 683 HB ILE 86 HB ILE 86 1.527 9.339 -9.709 684 1HG1 ILE 86 2HG1 ILE 86 4.255 8.078 -9.274 685 2HG1 ILE 86 1HG1 ILE 86 2.723 7.236 -9.056 686 1HG2 ILE 86 1HG2 ILE 86 3.357 10.328 -11.052 687 2HG2 ILE 86 2HG2 ILE 86 4.319 10.527 -9.590 688 3HG2 ILE 86 3HG2 ILE 86 2.828 11.440 -9.792 689 1HD1 ILE 86 1HD1 ILE 86 2.379 7.015 -11.294 690 2HD1 ILE 86 2HD1 ILE 86 4.117 7.283 -11.406 691 3HD1 ILE 86 3HD1 ILE 86 3.001 8.627 -11.649 692 H ASN 87 H ASN 87 3.025 12.079 -7.762 693 HA ASN 87 HA ASN 87 1.930 14.005 -7.083 694 1HB ASN 87 2HB ASN 87 0.168 12.621 -9.073 695 2HB ASN 87 1HB ASN 87 -0.390 14.112 -8.323 696 1HD2 ASN 87 1HD2 ASN 87 -0.184 15.108 -10.534 697 2HD2 ASN 87 2HD2 ASN 87 1.347 15.599 -11.079 698 HA PRO 88 HA PRO 88 -0.573 11.980 -3.780 699 1HB PRO 88 2HB PRO 88 0.826 13.591 -1.845 700 2HB PRO 88 1HB PRO 88 0.902 11.838 -2.078 701 1HG PRO 88 2HG PRO 88 2.947 13.637 -2.599 702 2HG PRO 88 1HG PRO 88 2.850 11.974 -3.193 703 1HD PRO 88 2HD PRO 88 2.327 14.517 -4.640 704 2HD PRO 88 1HD PRO 88 2.863 12.945 -5.272 705 H GLN 89 H GLN 89 -2.470 12.765 -3.110 706 HA GLN 89 HA GLN 89 -2.843 15.700 -3.004 707 1HB GLN 89 2HB GLN 89 -4.048 14.650 -4.889 708 2HB GLN 89 1HB GLN 89 -4.855 13.562 -3.760 709 1HG GLN 89 2HG GLN 89 -6.346 15.419 -4.268 710 2HG GLN 89 1HG GLN 89 -5.820 15.551 -2.594 711 1HE2 GLN 89 1HE2 GLN 89 -5.555 17.018 -5.799 712 2HE2 GLN 89 2HE2 GLN 89 -4.740 18.416 -5.286 713 H GLN 90 H GLN 90 -3.270 12.609 -1.502 714 HA GLN 90 HA GLN 90 -4.055 13.910 0.999 715 1HB GLN 90 2HB GLN 90 -6.162 13.185 -0.174 716 2HB GLN 90 1HB GLN 90 -5.569 11.528 -0.099 717 1HG GLN 90 2HG GLN 90 -5.676 11.467 2.258 718 2HG GLN 90 1HG GLN 90 -5.746 13.221 2.389 719 1HE2 GLN 90 1HE2 GLN 90 -7.667 10.474 2.559 720 2HE2 GLN 90 2HE2 GLN 90 -9.174 11.188 2.238 721 H ILE 91 H ILE 91 -2.612 13.243 2.425 722 HA ILE 91 HA ILE 91 -1.510 10.516 2.173 723 HB ILE 91 HB ILE 91 0.175 12.272 1.903 724 1HG1 ILE 91 2HG1 ILE 91 0.725 11.247 4.654 725 2HG1 ILE 91 1HG1 ILE 91 0.417 10.054 3.393 726 1HG2 ILE 91 1HG2 ILE 91 -0.180 13.125 4.753 727 2HG2 ILE 91 2HG2 ILE 91 -1.240 13.826 3.533 728 3HG2 ILE 91 3HG2 ILE 91 0.506 14.016 3.396 729 1HD1 ILE 91 1HD1 ILE 91 2.254 10.779 2.092 730 2HD1 ILE 91 2HD1 ILE 91 2.868 10.796 3.745 731 3HD1 ILE 91 3HD1 ILE 91 2.384 12.305 2.969 732 HA PRO 92 HA PRO 92 -3.897 9.920 5.920 733 1HB PRO 92 2HB PRO 92 -2.912 7.216 6.054 734 2HB PRO 92 1HB PRO 92 -4.527 7.776 5.598 735 1HG PRO 92 2HG PRO 92 -2.582 6.655 3.919 736 2HG PRO 92 1HG PRO 92 -4.107 7.410 3.439 737 1HD PRO 92 2HD PRO 92 -1.384 8.448 3.181 738 2HD PRO 92 1HD PRO 92 -2.882 9.033 2.433 739 HA PRO 93 HA PRO 93 -0.881 10.748 9.043 740 1HB PRO 93 2HB PRO 93 -2.234 9.169 11.032 741 2HB PRO 93 1HB PRO 93 -2.234 10.928 10.844 742 1HG PRO 93 2HG PRO 93 -4.278 9.000 10.123 743 2HG PRO 93 1HG PRO 93 -4.386 10.759 10.254 744 1HD PRO 93 2HD PRO 93 -4.462 9.348 7.869 745 2HD PRO 93 1HD PRO 93 -4.029 11.065 8.013 746 H GLU 94 H GLU 94 -1.928 7.523 8.277 747 HA GLU 94 HA GLU 94 -0.151 5.974 9.802 748 1HB GLU 94 2HB GLU 94 -2.111 5.163 8.421 749 2HB GLU 94 1HB GLU 94 -1.092 5.362 6.996 750 1HG GLU 94 2HG GLU 94 -0.015 3.796 9.313 751 2HG GLU 94 1HG GLU 94 -1.217 3.034 8.274 752 H VAL 95 H VAL 95 0.135 6.947 6.381 753 HA VAL 95 HA VAL 95 2.916 6.195 6.247 754 HB VAL 95 HB VAL 95 1.224 7.818 4.321 755 1HG1 VAL 95 1HG1 VAL 95 2.972 7.107 2.672 756 2HG1 VAL 95 2HG1 VAL 95 3.912 6.440 4.006 757 3HG1 VAL 95 3HG1 VAL 95 3.604 8.175 3.922 758 1HG2 VAL 95 1HG2 VAL 95 2.010 4.914 4.041 759 2HG2 VAL 95 2HG2 VAL 95 0.724 5.790 3.210 760 3HG2 VAL 95 3HG2 VAL 95 0.550 5.379 4.915 761 H ALA 96 H ALA 96 1.091 9.017 7.028 762 HA ALA 96 HA ALA 96 3.199 10.924 6.613 763 1HB ALA 96 1HB ALA 96 1.614 12.467 7.070 764 2HB ALA 96 2HB ALA 96 1.111 11.649 8.548 765 3HB ALA 96 3HB ALA 96 0.485 11.117 6.988 766 H ALA 97 H ALA 97 2.173 8.855 9.238 767 HA ALA 97 HA ALA 97 3.308 10.138 11.432 768 1HB ALA 97 1HB ALA 97 2.844 7.249 10.761 769 2HB ALA 97 2HB ALA 97 2.021 8.261 11.948 770 3HB ALA 97 3HB ALA 97 3.663 7.697 12.256 771 H LEU 98 H LEU 98 4.846 8.293 8.878 772 HA LEU 98 HA LEU 98 7.432 8.348 10.258 773 1HB LEU 98 2HB LEU 98 6.889 7.243 7.505 774 2HB LEU 98 1HB LEU 98 8.196 6.829 8.612 775 HG LEU 98 HG LEU 98 5.744 6.358 9.991 776 1HD1 LEU 98 1HD1 LEU 98 4.641 6.264 7.806 777 2HD1 LEU 98 2HD1 LEU 98 4.738 4.646 8.498 778 3HD1 LEU 98 3HD1 LEU 98 5.854 5.126 7.220 779 1HD2 LEU 98 1HD2 LEU 98 7.934 4.618 8.835 780 2HD2 LEU 98 2HD2 LEU 98 6.600 3.944 9.773 781 3HD2 LEU 98 3HD2 LEU 98 7.701 5.105 10.513 782 H ILE 99 H ILE 99 5.677 10.373 8.305 783 HA ILE 99 HA ILE 99 8.110 11.574 7.121 784 HB ILE 99 HB ILE 99 5.247 11.741 6.137 785 1HG1 ILE 99 2HG1 ILE 99 6.196 9.502 5.813 786 2HG1 ILE 99 1HG1 ILE 99 6.091 10.338 4.266 787 1HG2 ILE 99 1HG2 ILE 99 6.446 12.688 4.086 788 2HG2 ILE 99 2HG2 ILE 99 7.873 12.848 5.109 789 3HG2 ILE 99 3HG2 ILE 99 6.404 13.742 5.498 790 1HD1 ILE 99 1HD1 ILE 99 8.563 11.086 4.857 791 2HD1 ILE 99 2HD1 ILE 99 8.256 9.495 4.162 792 3HD1 ILE 99 3HD1 ILE 99 8.516 9.663 5.896 793 H ASN 100 H ASN 100 5.468 11.994 9.258 794 HA ASN 100 HA ASN 100 5.657 14.917 9.275 795 1HB ASN 100 2HB ASN 100 3.793 12.900 10.483 796 2HB ASN 100 1HB ASN 100 3.882 14.519 11.169 797 1HD2 ASN 100 1HD2 ASN 100 4.278 13.729 7.701 798 2HD2 ASN 100 2HD2 ASN 100 2.892 14.567 7.194 799 H LEU 101 H LEU 101 7.171 12.313 10.749 800 HA LEU 101 HA LEU 101 7.529 12.532 13.347 801 1HB LEU 101 2HB LEU 101 9.823 12.636 11.375 802 2HB LEU 101 1HB LEU 101 9.970 12.189 13.075 803 HG LEU 101 HG LEU 101 7.947 10.758 11.387 804 1HD1 LEU 101 1HD1 LEU 101 9.914 10.640 9.985 805 2HD1 LEU 101 2HD1 LEU 101 9.753 9.091 10.814 806 3HD1 LEU 101 3HD1 LEU 101 10.940 10.270 11.371 807 1HD2 LEU 101 1HD2 LEU 101 8.303 9.004 12.965 808 2HD2 LEU 101 2HD2 LEU 101 8.298 10.485 13.922 809 3HD2 LEU 101 3HD2 LEU 101 9.826 9.705 13.515 810 H GLU 102 H GLU 102 10.142 14.350 11.901 811 HA GLU 102 HA GLU 102 11.181 16.266 12.688 812 1HB GLU 102 2HB GLU 102 8.351 17.094 12.039 813 2HB GLU 102 1HB GLU 102 9.574 18.271 12.518 814 1HG GLU 102 2HG GLU 102 9.633 18.190 10.126 815 2HG GLU 102 1HG GLU 102 11.053 17.307 10.684 816 H HIS 103 H HIS 103 10.103 14.528 14.772 817 HA HIS 103 HA HIS 103 8.905 16.154 16.812 818 1HB HIS 103 2HB HIS 103 8.836 13.573 16.478 819 2HB HIS 103 1HB HIS 103 10.377 13.587 17.333 820 HD1 HIS 103 HD1 HIS 103 6.919 15.154 17.846 821 HD2 HIS 103 HD2 HIS 103 10.005 13.429 20.054 822 HE1 HIS 103 HE1 HIS 103 6.136 15.106 20.254 823 H HIS 104 H HIS 104 11.917 16.245 15.530 824 HA HIS 104 HA HIS 104 13.059 17.369 17.997 825 1HB HIS 104 2HB HIS 104 15.284 16.252 16.962 826 2HB HIS 104 1HB HIS 104 14.277 15.438 18.161 827 HD1 HIS 104 HD1 HIS 104 12.507 13.684 17.216 828 HD2 HIS 104 HD2 HIS 104 15.301 15.037 14.434 829 HE1 HIS 104 HE1 HIS 104 12.389 12.092 15.251 830 H HIS 105 H HIS 105 13.030 17.093 14.498 831 HA HIS 105 HA HIS 105 14.968 19.186 14.066 832 1HB HIS 105 2HB HIS 105 13.136 17.561 12.332 833 2HB HIS 105 1HB HIS 105 13.873 19.022 11.677 834 HD1 HIS 105 HD1 HIS 105 16.550 18.526 13.517 835 HD2 HIS 105 HD2 HIS 105 14.870 15.943 10.709 836 HE1 HIS 105 HE1 HIS 105 18.405 16.972 12.774 837 H HIS 106 H HIS 106 12.475 19.677 15.710 838 HA HIS 106 HA HIS 106 10.723 21.392 14.308 839 1HB HIS 106 2HB HIS 106 10.122 20.416 16.461 840 2HB HIS 106 1HB HIS 106 11.433 21.289 17.254 841 HD1 HIS 106 HD1 HIS 106 9.196 22.832 14.633 842 HD2 HIS 106 HD2 HIS 106 9.793 23.022 18.753 843 HE1 HIS 106 HE1 HIS 106 7.810 24.779 15.469 844 H HIS 107 H HIS 107 12.187 22.944 17.011 845 HA HIS 107 HA HIS 107 13.118 25.034 17.223 846 1HB HIS 107 2HB HIS 107 14.826 24.128 14.895 847 2HB HIS 107 1HB HIS 107 15.256 25.286 16.150 848 HD1 HIS 107 HD1 HIS 107 17.090 22.903 15.878 849 HD2 HIS 107 HD2 HIS 107 13.713 22.835 18.323 850 HE1 HIS 107 HE1 HIS 107 17.468 21.059 17.572 851 H HIS 108 H HIS 108 14.432 25.915 14.399 852 HA HIS 108 HA HIS 108 12.056 26.889 13.037 853 1HB HIS 108 2HB HIS 108 12.923 29.279 13.153 854 2HB HIS 108 1HB HIS 108 12.197 28.651 14.632 855 HD1 HIS 108 HD1 HIS 108 15.511 27.222 14.014 856 HD2 HIS 108 HD2 HIS 108 14.025 30.637 15.889 857 HE1 HIS 108 HE1 HIS 108 17.387 28.121 15.460
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