NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1281 | 1afp | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 3.554 -10.967 -10.967 2 HA ALA 1 HA ALA 1 4.803 -11.013 -11.013 3 1HB ALA 1 1HB ALA 1 2.437 -12.620 -12.620 4 2HB ALA 1 2HB ALA 1 3.261 -11.930 -11.930 5 3HB ALA 1 3HB ALA 1 4.164 -12.952 -12.952 6 H THR 2 H THR 2 2.650 -8.808 -8.808 7 HA THR 2 HA THR 2 1.985 -7.594 -7.594 8 HB THR 2 HB THR 2 2.374 -6.138 -6.138 9 HG1 THR 2 1HG THR 2 0.326 -7.205 -7.205 10 1HG2 THR 2 3HG2 THR 2 1.112 -5.468 -5.468 11 2HG2 THR 2 1HG2 THR 2 -0.223 -6.037 -6.037 12 3HG2 THR 2 2HG2 THR 2 0.811 -4.694 -4.694 13 H TYR 3 H TYR 3 2.915 -5.938 -5.938 14 HA TYR 3 HA TYR 3 5.793 -5.695 -5.695 15 1HB TYR 3 2HB TYR 3 3.932 -4.809 -4.809 16 2HB TYR 3 1HB TYR 3 5.679 -4.914 -4.914 17 HD1 TYR 3 HD2 TYR 3 5.224 -7.680 -7.680 18 HD2 TYR 3 HD1 TYR 3 4.117 -6.221 -6.221 19 HE1 TYR 3 HE2 TYR 3 5.032 -10.067 -10.067 20 HE2 TYR 3 HE1 TYR 3 3.928 -8.613 -8.613 21 HH TYR 3 HH TYR 3 4.995 -10.845 -10.845 22 H ASN 4 H ASN 4 6.202 -3.284 -3.284 23 HA ASN 4 HA ASN 4 4.603 -1.289 -1.289 24 1HB ASN 4 2HB ASN 4 7.490 -1.839 -1.839 25 2HB ASN 4 1HB ASN 4 6.920 -0.182 -0.182 26 1HD2 ASN 4 2HD2 ASN 4 5.486 -2.981 -2.981 27 2HD2 ASN 4 1HD2 ASN 4 6.257 -3.437 -3.437 28 H GLY 5 H GLY 5 4.746 0.710 0.710 29 1HA GLY 5 1HA GLY 5 6.894 1.216 1.216 30 2HA GLY 5 2HA GLY 5 5.448 0.656 0.656 31 H LYS 6 H LYS 6 4.576 2.475 2.475 32 HA LYS 6 HA LYS 6 3.658 4.533 4.533 33 1HB LYS 6 2HB LYS 6 5.379 5.223 5.223 34 2HB LYS 6 1HB LYS 6 4.586 6.361 6.361 35 1HG LYS 6 2HG LYS 6 5.915 5.491 5.491 36 2HG LYS 6 1HG LYS 6 6.692 4.325 4.325 37 1HD LYS 6 2HD LYS 6 7.632 6.189 6.189 38 2HD LYS 6 1HD LYS 6 6.846 7.359 7.359 39 1HE LYS 6 2HE LYS 6 8.255 5.690 5.690 40 2HE LYS 6 1HE LYS 6 9.346 5.869 5.869 41 1HZ LYS 6 1HZ LYS 6 9.786 7.939 7.939 42 2HZ LYS 6 2HZ LYS 6 8.227 8.387 8.387 43 H CYS 7 H CYS 7 2.019 5.963 5.963 44 HA CYS 7 HA CYS 7 0.894 4.692 4.692 45 1HB CYS 7 2HB CYS 7 -1.393 5.106 5.106 46 2HB CYS 7 1HB CYS 7 -0.473 3.722 3.722 47 H TYR 8 H TYR 8 -0.467 6.214 6.214 48 HA TYR 8 HA TYR 8 0.176 9.011 9.011 49 1HB TYR 8 2HB TYR 8 -0.375 7.513 7.513 50 2HB TYR 8 1HB TYR 8 -0.032 9.229 9.229 51 HD1 TYR 8 HD2 TYR 8 2.050 8.289 8.289 52 HD2 TYR 8 HD1 TYR 8 1.583 7.604 7.604 53 HE1 TYR 8 HE2 TYR 8 4.537 7.801 7.801 54 HE2 TYR 8 HE1 TYR 8 4.072 7.118 7.118 55 HH TYR 8 HH TYR 8 6.200 7.490 7.490 56 H LYS 9 H LYS 9 -1.480 10.488 10.488 57 HA LYS 9 HA LYS 9 -4.131 9.432 9.432 58 1HB LYS 9 2HB LYS 9 -4.747 11.677 11.677 59 2HB LYS 9 1HB LYS 9 -3.371 11.076 11.076 60 1HG LYS 9 2HG LYS 9 -2.586 13.201 13.201 61 2HG LYS 9 1HG LYS 9 -1.964 12.313 12.313 62 1HD LYS 9 2HD LYS 9 -3.020 14.006 14.006 63 2HD LYS 9 1HD LYS 9 -4.389 12.921 12.921 64 1HE LYS 9 2HE LYS 9 -5.525 14.404 14.404 65 2HE LYS 9 1HE LYS 9 -4.180 14.552 14.552 66 1HZ LYS 9 1HZ LYS 9 -4.125 16.647 16.647 67 2HZ LYS 9 2HZ LYS 9 -3.264 15.975 15.975 68 H LYS 10 H LYS 10 -2.301 11.751 11.751 69 HA LYS 10 HA LYS 10 -4.392 12.421 12.421 70 1HB LYS 10 2HB LYS 10 -1.809 13.162 13.162 71 2HB LYS 10 1HB LYS 10 -1.675 12.140 12.140 72 1HG LYS 10 2HG LYS 10 -3.955 13.566 13.566 73 2HG LYS 10 1HG LYS 10 -3.077 14.754 14.754 74 1HD LYS 10 2HD LYS 10 -1.702 13.205 13.205 75 2HD LYS 10 1HD LYS 10 -2.639 14.643 14.643 76 1HE LYS 10 2HE LYS 10 -1.197 16.049 16.049 77 2HE LYS 10 1HE LYS 10 -0.484 14.689 14.689 78 1HZ LYS 10 1HZ LYS 10 0.722 14.077 14.077 79 2HZ LYS 10 2HZ LYS 10 -0.177 14.991 14.991 80 H ASP 11 H ASP 11 -2.045 9.674 9.674 81 HA ASP 11 HA ASP 11 -3.472 8.680 8.680 82 1HB ASP 11 2HB ASP 11 -1.026 7.766 7.766 83 2HB ASP 11 1HB ASP 11 -1.742 6.744 6.744 84 HD1 ASP 11 2HD ASP 11 -1.820 9.958 9.958 85 H ASN 12 H ASN 12 -3.814 8.637 8.637 86 HA ASN 12 HA ASN 12 -4.638 7.259 7.259 87 1HB ASN 12 2HB ASN 12 -6.736 7.943 7.943 88 2HB ASN 12 1HB ASN 12 -6.505 6.952 6.952 89 1HD2 ASN 12 2HD2 ASN 12 -7.432 5.087 5.087 90 2HD2 ASN 12 1HD2 ASN 12 -6.403 6.479 6.479 91 H ILE 13 H ILE 13 -2.490 5.896 5.896 92 HA ILE 13 HA ILE 13 -3.402 3.159 3.159 93 HB ILE 13 HB ILE 13 -1.252 2.895 2.895 94 1HG1 ILE 13 2HG1 ILE 13 -1.142 4.907 4.907 95 2HG1 ILE 13 3HG1 ILE 13 -1.935 5.820 5.820 96 1HG2 ILE 13 3HG2 ILE 13 -4.061 3.554 3.554 97 2HG2 ILE 13 1HG2 ILE 13 -2.891 3.658 3.658 98 3HG2 ILE 13 2HG2 ILE 13 -3.072 2.138 2.138 99 1HD1 ILE 13 1HD1 ILE 13 0.571 4.183 4.183 100 2HD1 ILE 13 2HD1 ILE 13 0.644 5.869 5.869 101 3HD1 ILE 13 3HD1 ILE 13 -0.128 5.486 5.486 102 H CYS 14 H CYS 14 -1.578 1.592 1.592 103 HA CYS 14 HA CYS 14 0.082 2.874 2.874 104 1HB CYS 14 2HB CYS 14 -1.511 1.771 1.771 105 2HB CYS 14 1HB CYS 14 -1.633 0.422 0.422 106 H LYS 15 H LYS 15 2.176 2.763 2.763 107 HA LYS 15 HA LYS 15 2.898 0.412 0.412 108 1HB LYS 15 2HB LYS 15 4.364 3.056 3.056 109 2HB LYS 15 1HB LYS 15 4.654 1.755 1.755 110 1HG LYS 15 2HG LYS 15 2.779 2.254 2.254 111 2HG LYS 15 1HG LYS 15 1.857 2.840 2.840 112 1HD LYS 15 2HD LYS 15 2.368 4.771 4.771 113 2HD LYS 15 1HD LYS 15 3.391 4.876 4.876 114 1HE LYS 15 2HE LYS 15 4.527 3.406 3.406 115 2HE LYS 15 1HE LYS 15 4.348 5.141 5.141 116 1HZ LYS 15 1HZ LYS 15 5.655 3.991 3.991 117 2HZ LYS 15 2HZ LYS 15 6.507 4.289 4.289 118 H TYR 16 H TYR 16 4.489 -0.989 -0.989 119 HA TYR 16 HA TYR 16 6.309 -0.262 -0.262 120 1HB TYR 16 2HB TYR 16 5.344 -2.070 -2.070 121 2HB TYR 16 1HB TYR 16 4.288 -0.684 -0.684 122 HD1 TYR 16 HD1 TYR 16 2.554 -0.917 -0.917 123 HD2 TYR 16 HD2 TYR 16 4.394 -4.180 -4.180 124 HE1 TYR 16 HE1 TYR 16 0.673 -2.458 -2.458 125 HE2 TYR 16 HE2 TYR 16 2.507 -5.709 -5.709 126 HH TYR 16 HH TYR 16 0.830 -5.909 -5.909 127 H LYS 17 H LYS 17 7.858 -2.018 -2.018 128 HA LYS 17 HA LYS 17 8.168 -3.676 -3.676 129 1HB LYS 17 2HB LYS 17 9.901 -2.350 -2.350 130 2HB LYS 17 1HB LYS 17 10.221 -4.067 -4.067 131 1HG LYS 17 2HG LYS 17 9.952 -2.819 -2.819 132 2HG LYS 17 1HG LYS 17 11.456 -2.655 -2.655 133 1HD LYS 17 2HD LYS 17 11.989 -4.896 -4.896 134 2HD LYS 17 1HD LYS 17 10.322 -5.419 -5.419 135 1HE LYS 17 2HE LYS 17 9.902 -5.177 -5.177 136 2HE LYS 17 1HE LYS 17 11.056 -3.873 -3.873 137 1HZ LYS 17 1HZ LYS 17 12.184 -5.629 -5.629 138 2HZ LYS 17 2HZ LYS 17 12.759 -5.773 -5.773 139 H ALA 18 H ALA 18 7.075 -5.566 -5.566 140 HA ALA 18 HA ALA 18 5.912 -6.826 -6.826 141 1HB ALA 18 1HB ALA 18 5.627 -7.151 -7.151 142 2HB ALA 18 2HB ALA 18 6.985 -8.294 -8.294 143 3HB ALA 18 3HB ALA 18 5.483 -8.590 -8.590 144 H GLN 19 H GLN 19 6.471 -8.974 -8.974 145 HA GLN 19 HA GLN 19 8.906 -8.817 -8.817 146 1HB GLN 19 2HB GLN 19 6.762 -10.117 -10.117 147 2HB GLN 19 1HB GLN 19 7.352 -11.404 -11.404 148 1HG GLN 19 2HG GLN 19 9.241 -10.242 -10.242 149 2HG GLN 19 1HG GLN 19 7.972 -11.315 -11.315 150 1HE2 GLN 19 2HE2 GLN 19 9.138 -14.212 -14.212 151 2HE2 GLN 19 1HE2 GLN 19 7.702 -13.358 -13.358 152 H SER 20 H SER 20 8.093 -9.984 -9.984 153 HA SER 20 HA SER 20 10.801 -11.032 -11.032 154 1HB SER 20 2HB SER 20 9.532 -12.532 -12.532 155 2HB SER 20 1HB SER 20 9.810 -13.079 -13.079 156 HG SER 20 HG SER 20 7.598 -13.382 -13.382 157 H GLY 21 H GLY 21 9.117 -8.451 -8.451 158 1HA GLY 21 1HA GLY 21 9.309 -6.846 -6.846 159 2HA GLY 21 2HA GLY 21 10.471 -7.841 -7.841 160 H LYS 22 H LYS 22 7.720 -9.742 -9.742 161 HA LYS 22 HA LYS 22 7.028 -9.761 -9.761 162 1HB LYS 22 2HB LYS 22 6.913 -11.697 -11.697 163 2HB LYS 22 1HB LYS 22 5.499 -10.952 -10.952 164 1HG LYS 22 2HG LYS 22 5.542 -11.308 -11.308 165 2HG LYS 22 1HG LYS 22 5.286 -12.730 -12.730 166 1HD LYS 22 2HD LYS 22 3.645 -10.520 -10.520 167 2HD LYS 22 1HD LYS 22 3.359 -10.765 -10.765 168 1HE LYS 22 2HE LYS 22 3.411 -13.382 -13.382 169 2HE LYS 22 1HE LYS 22 2.658 -12.508 -12.508 170 1HZ LYS 22 1HZ LYS 22 1.385 -11.487 -11.487 171 2HZ LYS 22 2HZ LYS 22 1.619 -13.022 -13.022 172 H THR 23 H THR 23 4.993 -8.919 -8.919 173 HA THR 23 HA THR 23 2.947 -7.734 -7.734 174 HB THR 23 HB THR 23 3.678 -8.214 -8.214 175 HG1 THR 23 1HG THR 23 1.537 -6.756 -6.756 176 1HG2 THR 23 1HG2 THR 23 4.431 -5.596 -5.596 177 2HG2 THR 23 2HG2 THR 23 2.688 -5.383 -5.383 178 3HG2 THR 23 3HG2 THR 23 3.701 -6.212 -6.212 179 H ALA 24 H ALA 24 2.495 -5.160 -5.160 180 HA ALA 24 HA ALA 24 4.616 -3.400 -3.400 181 1HB ALA 24 3HB ALA 24 4.149 -4.751 -4.751 182 2HB ALA 24 1HB ALA 24 3.233 -3.238 -3.238 183 3HB ALA 24 2HB ALA 24 4.974 -3.183 -3.183 184 H ILE 25 H ILE 25 3.091 -1.498 -1.498 185 HA ILE 25 HA ILE 25 1.680 -0.153 -0.153 186 HB ILE 25 HB ILE 25 0.845 -0.206 -0.206 187 1HG1 ILE 25 2HG1 ILE 25 2.838 1.682 1.682 188 2HG1 ILE 25 3HG1 ILE 25 3.500 0.403 0.403 189 1HG2 ILE 25 2HG2 ILE 25 0.509 1.597 1.597 190 2HG2 ILE 25 3HG2 ILE 25 1.068 2.403 2.403 191 3HG2 ILE 25 1HG2 ILE 25 -0.435 1.449 1.449 192 1HD1 ILE 25 2HD1 ILE 25 2.418 -1.001 -1.001 193 2HD1 ILE 25 3HD1 ILE 25 3.084 0.471 0.471 194 3HD1 ILE 25 1HD1 ILE 25 4.135 -0.589 -0.589 195 H CYS 26 H CYS 26 -0.443 -0.058 -0.058 196 HA CYS 26 HA CYS 26 -2.317 -2.000 -2.000 197 1HB CYS 26 2HB CYS 26 -1.094 -3.233 -3.233 198 2HB CYS 26 1HB CYS 26 -1.474 -1.987 -1.987 199 H LYS 27 H LYS 27 -3.993 -0.615 -0.615 200 HA LYS 27 HA LYS 27 -4.418 1.886 1.886 201 1HB LYS 27 2HB LYS 27 -6.983 1.122 1.122 202 2HB LYS 27 1HB LYS 27 -6.002 1.224 1.224 203 1HG LYS 27 2HG LYS 27 -5.793 -1.366 -1.366 204 2HG LYS 27 1HG LYS 27 -7.375 -1.032 -1.032 205 1HD LYS 27 2HD LYS 27 -6.651 -1.471 -1.471 206 2HD LYS 27 1HD LYS 27 -5.321 -0.341 -0.341 207 1HE LYS 27 2HE LYS 27 -3.803 -1.990 -1.990 208 2HE LYS 27 1HE LYS 27 -4.941 -2.865 -2.865 209 1HZ LYS 27 1HZ LYS 27 -5.904 -3.112 -3.112 210 2HZ LYS 27 2HZ LYS 27 -4.297 -3.328 -3.328 211 H CYS 28 H CYS 28 -5.243 3.117 3.117 212 HA CYS 28 HA CYS 28 -4.957 1.901 1.901 213 1HB CYS 28 2HB CYS 28 -5.071 4.574 4.574 214 2HB CYS 28 1HB CYS 28 -6.114 4.445 4.445 215 H TYR 29 H TYR 29 -6.683 0.223 0.223 216 HA TYR 29 HA TYR 29 -9.353 0.903 0.903 217 1HB TYR 29 2HB TYR 29 -8.049 -1.371 -1.371 218 2HB TYR 29 1HB TYR 29 -8.162 -1.339 -1.339 219 HD1 TYR 29 HD2 TYR 29 -10.809 -0.300 -0.300 220 HD2 TYR 29 HD1 TYR 29 -9.513 -3.234 -3.234 221 HE1 TYR 29 HE2 TYR 29 -13.082 -1.432 -1.432 222 HE2 TYR 29 HE1 TYR 29 -11.790 -4.356 -4.356 223 HH TYR 29 HH TYR 29 -14.382 -2.949 -2.949 224 H VAL 30 H VAL 30 -10.649 2.184 2.184 225 HA VAL 30 HA VAL 30 -11.758 2.927 2.927 226 HB VAL 30 HB VAL 30 -12.088 1.597 1.597 227 1HG1 VAL 30 3HG1 VAL 30 -11.706 0.200 0.200 228 2HG1 VAL 30 1HG1 VAL 30 -10.499 -0.596 -0.596 229 3HG1 VAL 30 2HG1 VAL 30 -12.208 -0.551 -0.551 230 1HG2 VAL 30 1HG2 VAL 30 -9.155 1.649 1.649 231 2HG2 VAL 30 2HG2 VAL 30 -10.388 1.645 1.645 232 3HG2 VAL 30 3HG2 VAL 30 -9.878 0.113 0.113 233 H LYS 31 H LYS 31 -11.465 4.608 4.608 234 HA LYS 31 HA LYS 31 -10.337 6.458 6.458 235 1HB LYS 31 2HB LYS 31 -10.078 4.590 4.590 236 2HB LYS 31 1HB LYS 31 -8.385 4.637 4.637 237 1HG LYS 31 2HG LYS 31 -8.361 7.117 7.117 238 2HG LYS 31 1HG LYS 31 -10.046 7.050 7.050 239 1HD LYS 31 2HD LYS 31 -8.418 5.069 5.069 240 2HD LYS 31 1HD LYS 31 -7.822 6.700 6.700 241 1HE LYS 31 2HE LYS 31 -9.429 6.772 6.772 242 2HE LYS 31 1HE LYS 31 -10.494 7.168 7.168 243 1HZ LYS 31 1HZ LYS 31 -10.011 4.354 4.354 244 2HZ LYS 31 2HZ LYS 31 -11.191 5.236 5.236 245 H LYS 32 H LYS 32 -9.717 6.865 6.865 246 HA LYS 32 HA LYS 32 -7.500 6.058 6.058 247 1HB LYS 32 2HB LYS 32 -8.707 7.485 7.485 248 2HB LYS 32 1HB LYS 32 -9.092 8.558 8.558 249 1HG LYS 32 2HG LYS 32 -6.719 9.408 9.408 250 2HG LYS 32 1HG LYS 32 -6.385 8.374 8.374 251 1HD LYS 32 2HD LYS 32 -8.160 10.822 10.822 252 2HD LYS 32 1HD LYS 32 -6.893 10.452 10.452 253 1HE LYS 32 2HE LYS 32 -8.474 8.417 8.417 254 2HE LYS 32 1HE LYS 32 -9.722 9.373 9.373 255 1HZ LYS 32 1HZ LYS 32 -9.613 9.957 9.957 256 2HZ LYS 32 2HZ LYS 32 -9.059 11.241 11.241 257 H CYS 33 H CYS 33 -5.325 7.091 7.091 258 HA CYS 33 HA CYS 33 -3.931 7.096 7.096 259 1HB CYS 33 2HB CYS 33 -2.625 6.636 6.636 260 2HB CYS 33 1HB CYS 33 -3.332 7.902 7.902 261 HA PRO 34 HA PRO 34 -4.610 11.155 11.155 262 1HB PRO 34 2HB PRO 34 -2.554 11.400 11.400 263 2HB PRO 34 1HB PRO 34 -4.048 10.561 10.561 264 1HG PRO 34 2HG PRO 34 -1.385 9.427 9.427 265 2HG PRO 34 1HG PRO 34 -2.757 8.657 8.657 266 1HD PRO 34 2HD PRO 34 -1.882 8.287 8.287 267 2HD PRO 34 1HD PRO 34 -3.318 7.609 7.609 268 H ARG 35 H ARG 35 -1.271 10.451 10.451 269 HA ARG 35 HA ARG 35 -1.284 12.627 12.627 270 1HB ARG 35 2HB ARG 35 0.625 13.884 13.884 271 2HB ARG 35 1HB ARG 35 -0.946 14.044 14.044 272 1HG ARG 35 2HG ARG 35 -0.219 13.055 13.055 273 2HG ARG 35 1HG ARG 35 0.437 11.686 11.686 274 1HD ARG 35 2HD ARG 35 2.551 12.754 12.754 275 2HD ARG 35 1HD ARG 35 1.905 14.348 14.348 276 HE ARG 35 HE ARG 35 1.664 12.502 12.502 277 1HH1 ARG 35 2HH2 ARG 35 3.778 14.845 14.845 278 2HH1 ARG 35 1HH2 ARG 35 4.703 15.177 15.177 279 HH2 ARG 35 1HH ARG 35 4.160 14.045 14.045 280 H ASP 36 H ASP 36 0.408 12.367 12.367 281 HA ASP 36 HA ASP 36 1.502 10.043 10.043 282 1HB ASP 36 2HB ASP 36 1.999 11.596 11.596 283 2HB ASP 36 1HB ASP 36 2.419 12.848 12.848 284 HD2 ASP 36 2HD ASP 36 3.559 10.620 10.620 285 H GLY 37 H GLY 37 3.168 8.720 8.720 286 1HA GLY 37 1HA GLY 37 5.225 8.357 8.357 287 2HA GLY 37 2HA GLY 37 5.116 9.915 9.915 288 H ALA 38 H ALA 38 2.099 9.220 9.220 289 HA ALA 38 HA ALA 38 2.289 8.587 8.587 290 1HB ALA 38 1HB ALA 38 0.161 8.055 8.055 291 2HB ALA 38 2HB ALA 38 -0.090 7.617 7.617 292 3HB ALA 38 3HB ALA 38 0.204 9.314 9.314 293 H LYS 39 H LYS 39 3.150 6.898 6.898 294 HA LYS 39 HA LYS 39 3.959 4.559 4.559 295 1HB LYS 39 2HB LYS 39 5.051 5.476 5.476 296 2HB LYS 39 1HB LYS 39 3.623 5.137 5.137 297 1HG LYS 39 2HG LYS 39 4.462 2.754 2.754 298 2HG LYS 39 1HG LYS 39 5.784 3.377 3.377 299 1HD LYS 39 2HD LYS 39 4.419 1.753 1.753 300 2HD LYS 39 1HD LYS 39 4.374 3.342 3.342 301 1HE LYS 39 2HE LYS 39 2.183 3.788 3.788 302 2HE LYS 39 1HE LYS 39 2.220 2.150 2.150 303 1HZ LYS 39 1HZ LYS 39 2.436 1.495 1.495 304 2HZ LYS 39 2HZ LYS 39 1.919 3.001 3.001 305 H CYS 40 H CYS 40 3.146 2.404 2.404 306 HA CYS 40 HA CYS 40 0.610 1.960 1.960 307 1HB CYS 40 2HB CYS 40 -0.268 1.088 1.088 308 2HB CYS 40 1HB CYS 40 -0.527 2.738 2.738 309 H GLU 41 H GLU 41 0.105 -0.385 -0.385 310 HA GLU 41 HA GLU 41 2.453 -1.943 -1.943 311 1HB GLU 41 2HB GLU 41 0.513 -2.543 -2.543 312 2HB GLU 41 1HB GLU 41 1.981 -3.424 -3.424 313 1HG GLU 41 2HG GLU 41 3.213 -1.141 -1.141 314 2HG GLU 41 1HG GLU 41 1.729 -0.581 -0.581 315 HE1 GLU 41 2HE GLU 41 1.130 -3.012 -3.012 316 H PHE 42 H PHE 42 2.059 -4.139 -4.139 317 HA PHE 42 HA PHE 42 -0.604 -4.343 -4.343 318 1HB PHE 42 2HB PHE 42 1.336 -4.242 -4.242 319 2HB PHE 42 1HB PHE 42 2.186 -5.468 -5.468 320 HD1 PHE 42 HD2 PHE 42 -0.938 -4.979 -4.979 321 HD2 PHE 42 HD1 PHE 42 2.056 -7.687 -7.687 322 HE1 PHE 42 HE2 PHE 42 -1.902 -6.760 -6.760 323 HE2 PHE 42 HE1 PHE 42 1.093 -9.468 -9.468 324 HZ PHE 42 HZ PHE 42 -0.875 -8.983 -8.983 325 H ASP 43 H ASP 43 -1.851 -5.487 -5.487 326 HA ASP 43 HA ASP 43 -0.852 -7.458 -7.458 327 1HB ASP 43 2HB ASP 43 -3.580 -6.661 -6.661 328 2HB ASP 43 1HB ASP 43 -3.444 -8.203 -8.203 329 HD2 ASP 43 2HD ASP 43 -4.738 -7.374 -7.374 330 H SER 44 H SER 44 -0.224 -9.569 -9.569 331 HA SER 44 HA SER 44 -0.836 -10.522 -10.522 332 1HB SER 44 2HB SER 44 0.955 -12.038 -12.038 333 2HB SER 44 1HB SER 44 1.489 -10.606 -10.606 334 HG SER 44 HG SER 44 0.929 -11.579 -11.579 335 H TYR 45 H TYR 45 -2.912 -10.325 -10.325 336 HA TYR 45 HA TYR 45 -3.518 -13.188 -13.188 337 1HB TYR 45 2HB TYR 45 -4.881 -10.900 -10.900 338 2HB TYR 45 1HB TYR 45 -4.556 -12.519 -12.519 339 HD1 TYR 45 HD1 TYR 45 -1.780 -12.979 -12.979 340 HD2 TYR 45 HD2 TYR 45 -3.775 -9.266 -9.266 341 HE1 TYR 45 HE1 TYR 45 0.267 -12.114 -12.114 342 HE2 TYR 45 HE2 TYR 45 -1.720 -8.412 -8.412 343 HH TYR 45 HH TYR 45 0.202 -9.529 -9.529 344 H LYS 46 H LYS 46 -4.509 -10.092 -10.092 345 HA LYS 46 HA LYS 46 -6.886 -11.435 -11.435 346 1HB LYS 46 2HB LYS 46 -6.941 -8.538 -8.538 347 2HB LYS 46 1HB LYS 46 -8.284 -9.580 -9.580 348 1HG LYS 46 2HG LYS 46 -7.283 -11.037 -11.037 349 2HG LYS 46 1HG LYS 46 -6.698 -9.460 -9.460 350 1HD LYS 46 2HD LYS 46 -9.470 -9.250 -9.250 351 2HD LYS 46 1HD LYS 46 -9.330 -10.509 -10.509 352 1HE LYS 46 2HE LYS 46 -8.168 -7.707 -7.707 353 2HE LYS 46 1HE LYS 46 -9.762 -8.166 -8.166 354 1HZ LYS 46 1HZ LYS 46 -7.202 -8.827 -8.827 355 2HZ LYS 46 2HZ LYS 46 -8.667 -8.831 -8.831 356 H GLY 47 H GLY 47 -4.670 -8.571 -8.571 357 1HA GLY 47 1HA GLY 47 -3.364 -8.377 -8.377 358 2HA GLY 47 2HA GLY 47 -4.761 -8.914 -8.914 359 H LYS 48 H LYS 48 -5.208 -6.752 -6.752 360 HA LYS 48 HA LYS 48 -6.416 -4.806 -4.806 361 1HB LYS 48 2HB LYS 48 -6.758 -5.583 -5.583 362 2HB LYS 48 1HB LYS 48 -5.843 -4.104 -4.104 363 1HG LYS 48 2HG LYS 48 -8.013 -3.247 -3.247 364 2HG LYS 48 1HG LYS 48 -7.546 -3.107 -3.107 365 1HD LYS 48 2HD LYS 48 -9.816 -4.132 -4.132 366 2HD LYS 48 1HD LYS 48 -8.706 -5.187 -5.187 367 1HE LYS 48 2HE LYS 48 -8.756 -6.770 -6.770 368 2HE LYS 48 1HE LYS 48 -8.591 -5.579 -5.579 369 1HZ LYS 48 1HZ LYS 48 -10.838 -6.896 -6.896 370 2HZ LYS 48 2HZ LYS 48 -10.861 -5.357 -5.357 371 H CYS 49 H CYS 49 -5.397 -2.532 -2.532 372 HA CYS 49 HA CYS 49 -2.621 -2.364 -2.364 373 1HB CYS 49 2HB CYS 49 -3.780 -0.052 -0.052 374 2HB CYS 49 1HB CYS 49 -2.644 -1.217 -1.217 375 H TYR 50 H TYR 50 -3.044 -2.262 -2.262 376 HA TYR 50 HA TYR 50 -4.474 -0.371 -0.371 377 1HB TYR 50 2HB TYR 50 -1.782 -1.755 -1.755 378 2HB TYR 50 1HB TYR 50 -2.167 -0.499 -0.499 379 HD1 TYR 50 HD2 TYR 50 -3.778 -3.532 -3.532 380 HD2 TYR 50 HD1 TYR 50 -3.210 -1.135 -1.135 381 HE1 TYR 50 HE2 TYR 50 -5.122 -5.199 -5.199 382 HE2 TYR 50 HE1 TYR 50 -4.557 -2.811 -2.811 383 HH TYR 50 HH TYR 50 -5.954 -5.686 -5.686 384 H CYS 51 H CYS 51 -4.640 1.684 1.684 385 HA CYS 51 HA CYS 51 -2.164 3.235 3.235 386 1HB CYS 51 2HB CYS 51 -4.263 3.551 3.551 387 2HB CYS 51 1HB CYS 51 -2.798 4.496 4.496 Start of MODEL 2 1 H ALA 1 H ALA 1 3.211 -11.773 -11.773 2 HA ALA 1 HA ALA 1 4.880 -10.833 -10.833 3 1HB ALA 1 3HB ALA 1 2.673 -12.575 -12.575 4 2HB ALA 1 1HB ALA 1 3.316 -11.689 -11.689 5 3HB ALA 1 2HB ALA 1 4.401 -12.689 -12.689 6 H THR 2 H THR 2 2.787 -8.709 -8.709 7 HA THR 2 HA THR 2 2.030 -7.404 -7.404 8 HB THR 2 HB THR 2 2.338 -5.973 -5.973 9 HG1 THR 2 1HG THR 2 0.297 -7.274 -7.274 10 1HG2 THR 2 2HG2 THR 2 0.848 -5.554 -5.554 11 2HG2 THR 2 3HG2 THR 2 -0.330 -6.248 -6.248 12 3HG2 THR 2 1HG2 THR 2 0.558 -4.766 -4.766 13 H TYR 3 H TYR 3 3.128 -6.117 -6.117 14 HA TYR 3 HA TYR 3 5.902 -5.611 -5.611 15 1HB TYR 3 2HB TYR 3 4.138 -4.755 -4.755 16 2HB TYR 3 1HB TYR 3 5.884 -4.911 -4.911 17 HD1 TYR 3 HD2 TYR 3 5.325 -7.642 -7.642 18 HD2 TYR 3 HD1 TYR 3 4.321 -6.196 -6.196 19 HE1 TYR 3 HE2 TYR 3 5.100 -10.033 -10.033 20 HE2 TYR 3 HE1 TYR 3 4.099 -8.592 -8.592 21 HH TYR 3 HH TYR 3 3.744 -10.737 -10.737 22 H ASN 4 H ASN 4 6.337 -3.208 -3.208 23 HA ASN 4 HA ASN 4 4.600 -1.250 -1.250 24 1HB ASN 4 2HB ASN 4 7.384 -1.803 -1.803 25 2HB ASN 4 1HB ASN 4 6.939 -0.118 -0.118 26 1HD2 ASN 4 2HD2 ASN 4 5.048 -2.572 -2.572 27 2HD2 ASN 4 1HD2 ASN 4 5.901 -3.206 -3.206 28 H GLY 5 H GLY 5 4.842 0.804 0.804 29 1HA GLY 5 1HA GLY 5 7.061 1.313 1.313 30 2HA GLY 5 2HA GLY 5 5.658 0.756 0.756 31 H LYS 6 H LYS 6 4.748 2.542 2.542 32 HA LYS 6 HA LYS 6 3.844 4.636 4.636 33 1HB LYS 6 2HB LYS 6 5.442 5.295 5.295 34 2HB LYS 6 1HB LYS 6 4.744 6.431 6.431 35 1HG LYS 6 2HG LYS 6 6.207 5.580 5.580 36 2HG LYS 6 1HG LYS 6 6.850 4.345 4.345 37 1HD LYS 6 2HD LYS 6 7.600 6.269 6.269 38 2HD LYS 6 1HD LYS 6 7.204 7.363 7.363 39 1HE LYS 6 2HE LYS 6 9.219 6.945 6.945 40 2HE LYS 6 1HE LYS 6 8.769 5.264 5.264 41 1HZ LYS 6 1HZ LYS 6 10.590 6.364 6.364 42 2HZ LYS 6 2HZ LYS 6 10.323 4.795 4.795 43 H CYS 7 H CYS 7 2.283 6.146 6.146 44 HA CYS 7 HA CYS 7 1.062 4.772 4.772 45 1HB CYS 7 2HB CYS 7 -1.205 5.155 5.155 46 2HB CYS 7 1HB CYS 7 -0.247 3.824 3.824 47 H TYR 8 H TYR 8 -0.353 6.267 6.267 48 HA TYR 8 HA TYR 8 0.312 9.075 9.075 49 1HB TYR 8 2HB TYR 8 -0.339 7.521 7.521 50 2HB TYR 8 1HB TYR 8 -0.002 9.240 9.240 51 HD1 TYR 8 HD2 TYR 8 2.178 8.356 8.356 52 HD2 TYR 8 HD1 TYR 8 1.553 7.593 7.593 53 HE1 TYR 8 HE2 TYR 8 4.657 7.876 7.876 54 HE2 TYR 8 HE1 TYR 8 4.035 7.115 7.115 55 HH TYR 8 HH TYR 8 6.270 7.570 7.570 56 H LYS 9 H LYS 9 -1.325 10.628 10.628 57 HA LYS 9 HA LYS 9 -3.983 9.562 9.562 58 1HB LYS 9 2HB LYS 9 -4.566 11.826 11.826 59 2HB LYS 9 1HB LYS 9 -3.155 11.254 11.254 60 1HG LYS 9 2HG LYS 9 -2.399 13.364 13.364 61 2HG LYS 9 1HG LYS 9 -1.822 12.430 12.430 62 1HD LYS 9 2HD LYS 9 -2.922 14.082 14.082 63 2HD LYS 9 1HD LYS 9 -4.280 12.998 12.998 64 1HE LYS 9 2HE LYS 9 -5.381 14.521 14.521 65 2HE LYS 9 1HE LYS 9 -4.004 14.706 14.706 66 1HZ LYS 9 1HZ LYS 9 -4.851 16.445 16.445 67 2HZ LYS 9 2HZ LYS 9 -3.726 16.716 16.716 68 H LYS 10 H LYS 10 -2.201 11.791 11.791 69 HA LYS 10 HA LYS 10 -4.333 12.440 12.440 70 1HB LYS 10 2HB LYS 10 -1.637 13.007 13.007 71 2HB LYS 10 1HB LYS 10 -1.760 12.095 12.095 72 1HG LYS 10 2HG LYS 10 -3.106 13.682 13.682 73 2HG LYS 10 1HG LYS 10 -3.886 14.161 14.161 74 1HD LYS 10 2HD LYS 10 -1.065 14.816 14.816 75 2HD LYS 10 1HD LYS 10 -1.693 15.444 15.444 76 1HE LYS 10 2HE LYS 10 -3.642 16.443 16.443 77 2HE LYS 10 1HE LYS 10 -2.765 15.998 15.998 78 1HZ LYS 10 1HZ LYS 10 -2.135 18.082 18.082 79 2HZ LYS 10 2HZ LYS 10 -1.882 18.064 18.064 80 H ASP 11 H ASP 11 -2.249 9.524 9.524 81 HA ASP 11 HA ASP 11 -3.751 8.504 8.504 82 1HB ASP 11 2HB ASP 11 -1.064 8.050 8.050 83 2HB ASP 11 1HB ASP 11 -1.884 6.555 6.555 84 HD2 ASP 11 2HD ASP 11 0.233 6.987 6.987 85 H ASN 12 H ASN 12 -3.774 8.591 8.591 86 HA ASN 12 HA ASN 12 -4.470 7.273 7.273 87 1HB ASN 12 2HB ASN 12 -6.581 8.053 8.053 88 2HB ASN 12 1HB ASN 12 -6.629 6.467 6.467 89 1HD2 ASN 12 2HD2 ASN 12 -8.859 5.767 5.767 90 2HD2 ASN 12 1HD2 ASN 12 -8.703 6.271 6.271 91 H ILE 13 H ILE 13 -2.416 5.855 5.855 92 HA ILE 13 HA ILE 13 -3.441 3.128 3.128 93 HB ILE 13 HB ILE 13 -1.623 2.627 2.627 94 1HG1 ILE 13 2HG1 ILE 13 -0.928 4.749 4.749 95 2HG1 ILE 13 3HG1 ILE 13 -1.284 5.614 5.614 96 1HG2 ILE 13 2HG2 ILE 13 -4.172 3.824 3.824 97 2HG2 ILE 13 3HG2 ILE 13 -3.060 4.422 4.422 98 3HG2 ILE 13 1HG2 ILE 13 -3.290 2.671 2.671 99 1HD1 ILE 13 3HD1 ILE 13 0.298 3.185 3.185 100 2HD1 ILE 13 1HD1 ILE 13 1.116 4.309 4.309 101 3HD1 ILE 13 2HD1 ILE 13 0.608 4.865 4.865 102 H CYS 14 H CYS 14 -1.724 1.497 1.497 103 HA CYS 14 HA CYS 14 0.017 2.721 2.721 104 1HB CYS 14 2HB CYS 14 -1.634 1.495 1.495 105 2HB CYS 14 1HB CYS 14 -1.542 0.146 0.146 106 H LYS 15 H LYS 15 2.113 2.684 2.684 107 HA LYS 15 HA LYS 15 2.879 0.404 0.404 108 1HB LYS 15 2HB LYS 15 4.246 1.780 1.780 109 2HB LYS 15 1HB LYS 15 2.944 2.885 2.885 110 1HG LYS 15 2HG LYS 15 4.346 3.552 3.552 111 2HG LYS 15 1HG LYS 15 5.674 2.686 2.686 112 1HD LYS 15 2HD LYS 15 4.177 4.713 4.713 113 2HD LYS 15 1HD LYS 15 5.285 5.305 5.305 114 1HE LYS 15 2HE LYS 15 6.803 5.093 5.093 115 2HE LYS 15 1HE LYS 15 6.916 3.459 3.459 116 1HZ LYS 15 1HZ LYS 15 5.975 4.273 4.273 117 2HZ LYS 15 2HZ LYS 15 6.175 2.751 2.751 118 H TYR 16 H TYR 16 4.453 -0.979 -0.979 119 HA TYR 16 HA TYR 16 6.374 -0.165 -0.165 120 1HB TYR 16 2HB TYR 16 5.499 -1.924 -1.924 121 2HB TYR 16 1HB TYR 16 4.432 -0.546 -0.546 122 HD1 TYR 16 HD1 TYR 16 2.590 -0.847 -0.847 123 HD2 TYR 16 HD2 TYR 16 4.551 -4.041 -4.041 124 HE1 TYR 16 HE1 TYR 16 0.677 -2.413 -2.413 125 HE2 TYR 16 HE2 TYR 16 2.632 -5.597 -5.597 126 HH TYR 16 HH TYR 16 0.834 -5.846 -5.846 127 H LYS 17 H LYS 17 7.949 -1.906 -1.906 128 HA LYS 17 HA LYS 17 8.164 -3.636 -3.636 129 1HB LYS 17 2HB LYS 17 10.021 -2.165 -2.165 130 2HB LYS 17 1HB LYS 17 10.150 -3.455 -3.455 131 1HG LYS 17 2HG LYS 17 10.034 -4.507 -4.507 132 2HG LYS 17 1HG LYS 17 11.362 -3.383 -3.383 133 1HD LYS 17 2HD LYS 17 12.137 -4.661 -4.661 134 2HD LYS 17 1HD LYS 17 10.808 -5.785 -5.785 135 1HE LYS 17 2HE LYS 17 11.690 -6.642 -6.642 136 2HE LYS 17 1HE LYS 17 12.770 -5.278 -5.278 137 1HZ LYS 17 1HZ LYS 17 13.839 -6.104 -6.104 138 2HZ LYS 17 2HZ LYS 17 13.037 -7.501 -7.501 139 H ALA 18 H ALA 18 7.084 -5.535 -5.535 140 HA ALA 18 HA ALA 18 6.011 -6.728 -6.728 141 1HB ALA 18 3HB ALA 18 5.612 -7.119 -7.119 142 2HB ALA 18 1HB ALA 18 6.966 -8.270 -8.270 143 3HB ALA 18 2HB ALA 18 5.502 -8.525 -8.525 144 H GLN 19 H GLN 19 6.615 -8.844 -8.844 145 HA GLN 19 HA GLN 19 9.141 -8.655 -8.655 146 1HB GLN 19 2HB GLN 19 6.908 -9.939 -9.939 147 2HB GLN 19 1HB GLN 19 7.694 -11.299 -11.299 148 1HG GLN 19 2HG GLN 19 9.685 -11.025 -11.025 149 2HG GLN 19 1HG GLN 19 9.000 -9.581 -9.581 150 1HE2 GLN 19 2HE2 GLN 19 8.387 -12.297 -12.297 151 2HE2 GLN 19 1HE2 GLN 19 9.720 -11.421 -11.421 152 H SER 20 H SER 20 8.091 -9.926 -9.926 153 HA SER 20 HA SER 20 10.726 -11.122 -11.122 154 1HB SER 20 2HB SER 20 9.282 -12.620 -12.620 155 2HB SER 20 1HB SER 20 9.612 -13.118 -13.118 156 HG SER 20 HG SER 20 7.556 -12.384 -12.384 157 H GLY 21 H GLY 21 8.992 -8.522 -8.522 158 1HA GLY 21 1HA GLY 21 9.229 -6.971 -6.971 159 2HA GLY 21 2HA GLY 21 10.283 -8.058 -8.058 160 H LYS 22 H LYS 22 7.579 -9.892 -9.892 161 HA LYS 22 HA LYS 22 6.683 -9.932 -9.932 162 1HB LYS 22 2HB LYS 22 6.601 -11.810 -11.810 163 2HB LYS 22 1HB LYS 22 5.252 -10.991 -10.991 164 1HG LYS 22 2HG LYS 22 4.307 -10.949 -10.949 165 2HG LYS 22 1HG LYS 22 5.386 -12.318 -12.318 166 1HD LYS 22 2HD LYS 22 4.231 -13.109 -13.109 167 2HD LYS 22 1HD LYS 22 2.945 -12.044 -12.044 168 1HE LYS 22 2HE LYS 22 2.250 -13.969 -13.969 169 2HE LYS 22 1HE LYS 22 3.317 -13.355 -13.355 170 1HZ LYS 22 1HZ LYS 22 4.633 -15.137 -15.137 171 2HZ LYS 22 2HZ LYS 22 4.810 -14.866 -14.866 172 H THR 23 H THR 23 4.862 -8.928 -8.928 173 HA THR 23 HA THR 23 2.780 -7.706 -7.706 174 HB THR 23 HB THR 23 3.664 -8.133 -8.133 175 HG1 THR 23 1HG THR 23 1.477 -8.258 -8.258 176 1HG2 THR 23 2HG2 THR 23 4.443 -5.546 -5.546 177 2HG2 THR 23 3HG2 THR 23 2.721 -5.284 -5.284 178 3HG2 THR 23 1HG2 THR 23 3.770 -6.092 -6.092 179 H ALA 24 H ALA 24 2.448 -5.107 -5.107 180 HA ALA 24 HA ALA 24 4.590 -3.412 -3.412 181 1HB ALA 24 1HB ALA 24 4.114 -4.843 -4.843 182 2HB ALA 24 2HB ALA 24 3.149 -3.371 -3.371 183 3HB ALA 24 3HB ALA 24 4.892 -3.244 -3.244 184 H ILE 25 H ILE 25 3.045 -1.578 -1.578 185 HA ILE 25 HA ILE 25 1.632 -0.198 -0.198 186 HB ILE 25 HB ILE 25 1.038 -0.109 -0.109 187 1HG1 ILE 25 2HG1 ILE 25 3.533 0.657 0.657 188 2HG1 ILE 25 3HG1 ILE 25 3.342 -0.064 -0.064 189 1HG2 ILE 25 2HG2 ILE 25 -0.042 1.317 1.317 190 2HG2 ILE 25 3HG2 ILE 25 1.318 2.362 2.362 191 3HG2 ILE 25 1HG2 ILE 25 0.095 1.892 1.892 192 1HD1 ILE 25 3HD1 ILE 25 2.077 2.298 2.298 193 2HD1 ILE 25 1HD1 ILE 25 3.210 2.814 2.814 194 3HD1 ILE 25 2HD1 ILE 25 3.829 2.080 2.080 195 H CYS 26 H CYS 26 -0.430 -0.235 -0.235 196 HA CYS 26 HA CYS 26 -2.323 -2.018 -2.018 197 1HB CYS 26 2HB CYS 26 -1.059 -3.132 -3.132 198 2HB CYS 26 1HB CYS 26 -1.998 -2.076 -2.076 199 H LYS 27 H LYS 27 -3.929 -0.577 -0.577 200 HA LYS 27 HA LYS 27 -4.330 1.917 1.917 201 1HB LYS 27 2HB LYS 27 -5.585 0.950 0.950 202 2HB LYS 27 1HB LYS 27 -6.409 -0.159 -0.159 203 1HG LYS 27 2HG LYS 27 -7.569 1.674 1.674 204 2HG LYS 27 1HG LYS 27 -6.603 2.873 2.873 205 1HD LYS 27 2HD LYS 27 -8.651 0.983 0.983 206 2HD LYS 27 1HD LYS 27 -8.788 2.723 2.723 207 1HE LYS 27 2HE LYS 27 -6.443 2.622 2.622 208 2HE LYS 27 1HE LYS 27 -7.134 1.110 1.110 209 1HZ LYS 27 1HZ LYS 27 -7.731 3.209 3.209 210 2HZ LYS 27 2HZ LYS 27 -8.978 2.236 2.236 211 H CYS 28 H CYS 28 -5.818 2.980 2.980 212 HA CYS 28 HA CYS 28 -5.688 1.615 1.615 213 1HB CYS 28 2HB CYS 28 -5.611 4.347 4.347 214 2HB CYS 28 1HB CYS 28 -6.894 4.158 4.158 215 H TYR 29 H TYR 29 -7.347 -0.007 -0.007 216 HA TYR 29 HA TYR 29 -9.973 0.808 0.808 217 1HB TYR 29 2HB TYR 29 -9.264 -1.435 -1.435 218 2HB TYR 29 1HB TYR 29 -8.478 -1.660 -1.660 219 HD1 TYR 29 HD2 TYR 29 -11.948 -0.989 -0.989 220 HD2 TYR 29 HD1 TYR 29 -9.478 -3.159 -3.159 221 HE1 TYR 29 HE2 TYR 29 -13.988 -2.240 -2.240 222 HE2 TYR 29 HE1 TYR 29 -11.526 -4.403 -4.403 223 HH TYR 29 HH TYR 29 -13.653 -4.923 -4.923 224 H VAL 30 H VAL 30 -8.358 1.552 1.552 225 HA VAL 30 HA VAL 30 -10.761 1.189 1.189 226 HB VAL 30 HB VAL 30 -8.005 1.407 1.407 227 1HG1 VAL 30 1HG1 VAL 30 -10.659 1.047 1.047 228 2HG1 VAL 30 2HG1 VAL 30 -9.729 -0.429 -0.429 229 3HG1 VAL 30 3HG1 VAL 30 -9.132 1.153 1.153 230 1HG2 VAL 30 1HG2 VAL 30 -7.887 -0.401 -0.401 231 2HG2 VAL 30 2HG2 VAL 30 -7.747 -1.016 -1.016 232 3HG2 VAL 30 3HG2 VAL 30 -9.278 -1.196 -1.196 233 H LYS 31 H LYS 31 -8.988 2.862 2.862 234 HA LYS 31 HA LYS 31 -10.199 5.317 5.317 235 1HB LYS 31 2HB LYS 31 -8.634 4.140 4.140 236 2HB LYS 31 1HB LYS 31 -8.052 5.757 5.757 237 1HG LYS 31 2HG LYS 31 -10.034 6.768 6.768 238 2HG LYS 31 1HG LYS 31 -11.029 5.446 5.446 239 1HD LYS 31 2HD LYS 31 -9.742 4.152 4.152 240 2HD LYS 31 1HD LYS 31 -9.668 5.784 5.784 241 1HE LYS 31 2HE LYS 31 -11.750 5.240 5.240 242 2HE LYS 31 1HE LYS 31 -12.275 5.771 5.771 243 1HZ LYS 31 1HZ LYS 31 -12.799 3.658 3.658 244 2HZ LYS 31 2HZ LYS 31 -11.460 3.000 3.000 245 H LYS 32 H LYS 32 -9.693 6.714 6.714 246 HA LYS 32 HA LYS 32 -7.677 6.525 6.525 247 1HB LYS 32 2HB LYS 32 -9.596 8.087 8.087 248 2HB LYS 32 1HB LYS 32 -8.834 9.117 9.117 249 1HG LYS 32 2HG LYS 32 -7.116 9.790 9.790 250 2HG LYS 32 1HG LYS 32 -7.228 8.338 8.338 251 1HD LYS 32 2HD LYS 32 -8.132 10.331 10.331 252 2HD LYS 32 1HD LYS 32 -9.353 9.093 9.093 253 1HE LYS 32 2HE LYS 32 -10.543 10.332 10.332 254 2HE LYS 32 1HE LYS 32 -9.121 11.187 11.187 255 1HZ LYS 32 1HZ LYS 32 -10.960 12.080 12.080 256 2HZ LYS 32 2HZ LYS 32 -9.591 12.835 12.835 257 H CYS 33 H CYS 33 -5.597 7.615 7.615 258 HA CYS 33 HA CYS 33 -3.997 7.356 7.356 259 1HB CYS 33 2HB CYS 33 -2.781 6.836 6.836 260 2HB CYS 33 1HB CYS 33 -3.589 8.008 8.008 261 HA PRO 34 HA PRO 34 -4.297 11.457 11.457 262 1HB PRO 34 2HB PRO 34 -2.035 11.640 11.640 263 2HB PRO 34 1HB PRO 34 -3.503 10.862 10.862 264 1HG PRO 34 2HG PRO 34 -0.977 9.621 9.621 265 2HG PRO 34 1HG PRO 34 -2.273 8.912 8.912 266 1HD PRO 34 2HD PRO 34 -1.744 8.483 8.483 267 2HD PRO 34 1HD PRO 34 -3.105 7.867 7.867 268 H ARG 35 H ARG 35 -1.087 10.636 10.636 269 HA ARG 35 HA ARG 35 -1.213 12.686 12.686 270 1HB ARG 35 2HB ARG 35 0.567 14.188 14.188 271 2HB ARG 35 1HB ARG 35 -0.847 14.180 14.180 272 1HG ARG 35 2HG ARG 35 0.651 12.074 12.074 273 2HG ARG 35 1HG ARG 35 1.899 13.201 13.201 274 1HD ARG 35 2HD ARG 35 0.243 14.974 14.974 275 2HD ARG 35 1HD ARG 35 -0.252 13.540 13.540 276 HE ARG 35 HE ARG 35 1.894 13.401 13.401 277 1HH1 ARG 35 2HH2 ARG 35 1.849 15.926 15.926 278 2HH1 ARG 35 1HH2 ARG 35 3.362 16.610 16.610 279 HH2 ARG 35 1HH ARG 35 4.546 15.640 15.640 280 H ASP 36 H ASP 36 0.535 12.477 12.477 281 HA ASP 36 HA ASP 36 1.620 10.145 10.145 282 1HB ASP 36 2HB ASP 36 2.124 11.695 11.695 283 2HB ASP 36 1HB ASP 36 2.574 12.940 12.940 284 HD2 ASP 36 2HD ASP 36 5.839 12.427 12.427 285 H GLY 37 H GLY 37 3.329 8.841 8.841 286 1HA GLY 37 1HA GLY 37 5.367 8.480 8.480 287 2HA GLY 37 2HA GLY 37 5.248 10.038 10.038 288 H ALA 38 H ALA 38 2.267 9.432 9.432 289 HA ALA 38 HA ALA 38 2.449 8.759 8.759 290 1HB ALA 38 1HB ALA 38 0.260 8.007 8.007 291 2HB ALA 38 2HB ALA 38 0.075 8.023 8.023 292 3HB ALA 38 3HB ALA 38 0.400 9.539 9.539 293 H LYS 39 H LYS 39 3.225 7.047 7.047 294 HA LYS 39 HA LYS 39 4.019 4.698 4.698 295 1HB LYS 39 2HB LYS 39 5.156 5.612 5.612 296 2HB LYS 39 1HB LYS 39 3.742 5.288 5.288 297 1HG LYS 39 2HG LYS 39 4.539 2.898 2.898 298 2HG LYS 39 1HG LYS 39 5.876 3.507 3.507 299 1HD LYS 39 2HD LYS 39 3.437 3.616 3.616 300 2HD LYS 39 1HD LYS 39 3.616 2.008 2.008 301 1HE LYS 39 2HE LYS 39 4.909 1.753 1.753 302 2HE LYS 39 1HE LYS 39 6.154 2.298 2.298 303 1HZ LYS 39 1HZ LYS 39 4.618 4.198 4.198 304 2HZ LYS 39 2HZ LYS 39 6.017 3.533 3.533 305 H CYS 40 H CYS 40 3.173 2.558 2.558 306 HA CYS 40 HA CYS 40 0.599 2.221 2.221 307 1HB CYS 40 2HB CYS 40 -0.196 3.095 3.095 308 2HB CYS 40 1HB CYS 40 0.953 2.169 2.169 309 H GLU 41 H GLU 41 -0.044 -0.175 -0.175 310 HA GLU 41 HA GLU 41 2.337 -1.797 -1.797 311 1HB GLU 41 2HB GLU 41 0.630 -2.977 -2.977 312 2HB GLU 41 1HB GLU 41 2.320 -2.527 -2.527 313 1HG GLU 41 2HG GLU 41 -0.026 -0.599 -0.599 314 2HG GLU 41 1HG GLU 41 0.882 -1.315 -1.315 315 HE2 GLU 41 2HE GLU 41 2.189 1.345 1.345 316 H PHE 42 H PHE 42 1.959 -3.955 -3.955 317 HA PHE 42 HA PHE 42 -0.723 -4.237 -4.237 318 1HB PHE 42 2HB PHE 42 1.179 -4.064 -4.064 319 2HB PHE 42 1HB PHE 42 2.080 -5.278 -5.278 320 HD1 PHE 42 2HD PHE 42 -1.297 -4.990 -4.990 321 HD2 PHE 42 1HD PHE 42 2.178 -7.349 -7.349 322 HE1 PHE 42 2HE PHE 42 -2.257 -6.779 -6.779 323 HE2 PHE 42 1HE PHE 42 1.218 -9.138 -9.138 324 HZ PHE 42 HZ PHE 42 -0.988 -8.832 -8.832 325 H ASP 43 H ASP 43 -1.970 -5.559 -5.559 326 HA ASP 43 HA ASP 43 -0.806 -7.485 -7.485 327 1HB ASP 43 2HB ASP 43 -3.600 -6.710 -6.710 328 2HB ASP 43 1HB ASP 43 -3.389 -8.259 -8.259 329 HD1 ASP 43 2HD ASP 43 -2.397 -4.992 -4.992 330 H SER 44 H SER 44 -0.254 -9.613 -9.613 331 HA SER 44 HA SER 44 -0.949 -10.490 -10.490 332 1HB SER 44 2HB SER 44 0.769 -12.172 -12.172 333 2HB SER 44 1HB SER 44 1.407 -10.647 -10.647 334 HG SER 44 HG SER 44 0.567 -12.946 -12.946 335 H TYR 45 H TYR 45 -3.020 -10.321 -10.321 336 HA TYR 45 HA TYR 45 -3.605 -13.187 -13.187 337 1HB TYR 45 2HB TYR 45 -4.957 -10.877 -10.877 338 2HB TYR 45 1HB TYR 45 -4.676 -12.502 -12.502 339 HD1 TYR 45 HD1 TYR 45 -1.760 -12.824 -12.824 340 HD2 TYR 45 HD2 TYR 45 -3.975 -9.472 -9.472 341 HE1 TYR 45 HE1 TYR 45 0.295 -12.008 -12.008 342 HE2 TYR 45 HE2 TYR 45 -1.913 -8.667 -8.667 343 HH TYR 45 HH TYR 45 1.180 -10.350 -10.350 344 H LYS 46 H LYS 46 -4.618 -10.091 -10.091 345 HA LYS 46 HA LYS 46 -7.027 -11.436 -11.436 346 1HB LYS 46 2HB LYS 46 -6.799 -8.582 -8.582 347 2HB LYS 46 1HB LYS 46 -8.176 -9.220 -9.220 348 1HG LYS 46 2HG LYS 46 -7.990 -11.140 -11.140 349 2HG LYS 46 1HG LYS 46 -7.259 -9.818 -9.818 350 1HD LYS 46 2HD LYS 46 -9.251 -8.731 -8.731 351 2HD LYS 46 1HD LYS 46 -9.693 -8.966 -8.966 352 1HE LYS 46 2HE LYS 46 -10.169 -11.447 -11.447 353 2HE LYS 46 1HE LYS 46 -10.080 -10.905 -10.905 354 1HZ LYS 46 1HZ LYS 46 -12.099 -10.261 -10.261 355 2HZ LYS 46 2HZ LYS 46 -12.295 -10.546 -10.546 356 H GLY 47 H GLY 47 -4.777 -8.618 -8.618 357 1HA GLY 47 1HA GLY 47 -3.473 -8.596 -8.596 358 2HA GLY 47 2HA GLY 47 -4.882 -9.182 -9.182 359 H LYS 48 H LYS 48 -5.231 -6.800 -6.800 360 HA LYS 48 HA LYS 48 -6.168 -4.892 -4.892 361 1HB LYS 48 2HB LYS 48 -6.470 -4.874 -4.874 362 2HB LYS 48 1HB LYS 48 -7.233 -3.769 -3.769 363 1HG LYS 48 2HG LYS 48 -7.682 -6.783 -6.783 364 2HG LYS 48 1HG LYS 48 -8.830 -5.528 -5.528 365 1HD LYS 48 2HD LYS 48 -9.612 -5.718 -5.718 366 2HD LYS 48 1HD LYS 48 -8.168 -4.857 -4.857 367 1HE LYS 48 2HE LYS 48 -7.306 -6.706 -6.706 368 2HE LYS 48 1HE LYS 48 -7.560 -7.688 -7.688 369 1HZ LYS 48 1HZ LYS 48 -9.965 -7.028 -7.028 370 2HZ LYS 48 2HZ LYS 48 -8.935 -8.039 -8.039 371 H CYS 49 H CYS 49 -5.774 -2.500 -2.500 372 HA CYS 49 HA CYS 49 -2.885 -2.399 -2.399 373 1HB CYS 49 2HB CYS 49 -3.984 -0.095 -0.095 374 2HB CYS 49 1HB CYS 49 -2.452 -0.927 -0.927 375 H TYR 50 H TYR 50 -3.082 -2.015 -2.015 376 HA TYR 50 HA TYR 50 -5.064 -0.232 -0.232 377 1HB TYR 50 2HB TYR 50 -2.588 -1.756 -1.756 378 2HB TYR 50 1HB TYR 50 -3.357 -0.617 -0.617 379 HD1 TYR 50 HD2 TYR 50 -3.774 -3.814 -3.814 380 HD2 TYR 50 HD1 TYR 50 -5.490 -1.111 -1.111 381 HE1 TYR 50 HE2 TYR 50 -5.436 -5.602 -5.602 382 HE2 TYR 50 HE1 TYR 50 -7.146 -2.908 -2.908 383 HH TYR 50 HH TYR 50 -7.006 -6.150 -6.150 384 H CYS 51 H CYS 51 -4.557 1.697 1.697 385 HA CYS 51 HA CYS 51 -2.025 2.941 2.941 386 1HB CYS 51 2HB CYS 51 -4.604 3.850 3.850 387 2HB CYS 51 1HB CYS 51 -3.192 4.880 4.880 Start of MODEL 3 1 H ALA 1 H ALA 1 2.385 -12.147 -12.147 2 HA ALA 1 HA ALA 1 4.376 -10.910 -10.910 3 1HB ALA 1 1HB ALA 1 2.475 -12.795 -12.795 4 2HB ALA 1 2HB ALA 1 3.171 -11.774 -11.774 5 3HB ALA 1 3HB ALA 1 4.240 -12.713 -12.713 6 H THR 2 H THR 2 2.810 -8.717 -8.717 7 HA THR 2 HA THR 2 1.857 -7.429 -7.429 8 HB THR 2 HB THR 2 2.258 -6.027 -6.027 9 HG1 THR 2 1HG THR 2 0.275 -8.082 -8.082 10 1HG2 THR 2 2HG2 THR 2 0.708 -5.591 -5.591 11 2HG2 THR 2 3HG2 THR 2 -0.445 -6.181 -6.181 12 3HG2 THR 2 1HG2 THR 2 0.542 -4.738 -4.738 13 H TYR 3 H TYR 3 2.821 -5.833 -5.833 14 HA TYR 3 HA TYR 3 5.674 -5.500 -5.500 15 1HB TYR 3 2HB TYR 3 3.913 -4.633 -4.633 16 2HB TYR 3 1HB TYR 3 5.656 -4.813 -4.813 17 HD1 TYR 3 HD2 TYR 3 5.093 -7.533 -7.533 18 HD2 TYR 3 HD1 TYR 3 4.040 -6.080 -6.080 19 HE1 TYR 3 HE2 TYR 3 4.834 -9.922 -9.922 20 HE2 TYR 3 HE1 TYR 3 3.785 -8.473 -8.473 21 HH TYR 3 HH TYR 3 4.101 -11.188 -11.188 22 H ASN 4 H ASN 4 6.132 -3.104 -3.104 23 HA ASN 4 HA ASN 4 4.398 -1.133 -1.133 24 1HB ASN 4 2HB ASN 4 7.150 -1.724 -1.724 25 2HB ASN 4 1HB ASN 4 6.758 -0.030 -0.030 26 1HD2 ASN 4 2HD2 ASN 4 4.753 -2.382 -2.382 27 2HD2 ASN 4 1HD2 ASN 4 5.614 -3.063 -3.063 28 H GLY 5 H GLY 5 4.731 0.959 0.959 29 1HA GLY 5 1HA GLY 5 6.953 1.406 1.406 30 2HA GLY 5 2HA GLY 5 5.528 0.911 0.911 31 H LYS 6 H LYS 6 4.537 2.680 2.680 32 HA LYS 6 HA LYS 6 3.746 4.790 4.790 33 1HB LYS 6 2HB LYS 6 5.206 5.641 5.641 34 2HB LYS 6 1HB LYS 6 4.818 6.574 6.574 35 1HG LYS 6 2HG LYS 6 6.426 5.232 5.232 36 2HG LYS 6 1HG LYS 6 6.781 4.232 4.232 37 1HD LYS 6 2HD LYS 6 7.547 6.330 6.330 38 2HD LYS 6 1HD LYS 6 7.331 7.225 7.225 39 1HE LYS 6 2HE LYS 6 8.930 5.575 5.575 40 2HE LYS 6 1HE LYS 6 9.240 4.885 4.885 41 1HZ LYS 6 1HZ LYS 6 9.565 7.790 7.790 42 2HZ LYS 6 2HZ LYS 6 10.764 6.776 6.776 43 H CYS 7 H CYS 7 2.229 6.358 6.358 44 HA CYS 7 HA CYS 7 1.008 5.081 5.081 45 1HB CYS 7 2HB CYS 7 -1.265 5.579 5.579 46 2HB CYS 7 1HB CYS 7 -0.400 4.119 4.119 47 H TYR 8 H TYR 8 -0.267 6.638 6.638 48 HA TYR 8 HA TYR 8 0.382 9.418 9.418 49 1HB TYR 8 2HB TYR 8 -0.132 7.980 7.980 50 2HB TYR 8 1HB TYR 8 0.256 9.684 9.684 51 HD1 TYR 8 HD2 TYR 8 2.255 8.654 8.654 52 HD2 TYR 8 HD1 TYR 8 1.865 8.031 8.031 53 HE1 TYR 8 HE2 TYR 8 4.731 8.100 8.100 54 HE2 TYR 8 HE1 TYR 8 4.343 7.480 7.480 55 HH TYR 8 HH TYR 8 6.395 8.070 8.070 56 H LYS 9 H LYS 9 -1.239 10.985 10.985 57 HA LYS 9 HA LYS 9 -3.850 10.128 10.128 58 1HB LYS 9 2HB LYS 9 -2.376 12.622 12.622 59 2HB LYS 9 1HB LYS 9 -3.945 12.813 12.813 60 1HG LYS 9 2HG LYS 9 -5.026 11.772 11.772 61 2HG LYS 9 1HG LYS 9 -3.452 11.627 11.627 62 1HD LYS 9 2HD LYS 9 -3.193 13.984 13.984 63 2HD LYS 9 1HD LYS 9 -4.400 14.329 14.329 64 1HE LYS 9 2HE LYS 9 -6.215 13.789 13.789 65 2HE LYS 9 1HE LYS 9 -5.193 12.878 12.878 66 1HZ LYS 9 1HZ LYS 9 -5.803 15.159 15.159 67 2HZ LYS 9 2HZ LYS 9 -4.195 14.905 14.905 68 H LYS 10 H LYS 10 -2.775 12.177 12.177 69 HA LYS 10 HA LYS 10 -4.903 11.893 11.893 70 1HB LYS 10 2HB LYS 10 -2.572 13.066 13.066 71 2HB LYS 10 1HB LYS 10 -2.178 11.620 11.620 72 1HG LYS 10 2HG LYS 10 -3.699 12.086 12.086 73 2HG LYS 10 1HG LYS 10 -4.834 12.870 12.870 74 1HD LYS 10 2HD LYS 10 -2.806 14.661 14.661 75 2HD LYS 10 1HD LYS 10 -2.431 14.021 14.021 76 1HE LYS 10 2HE LYS 10 -4.512 14.721 14.721 77 2HE LYS 10 1HE LYS 10 -5.276 14.851 14.851 78 1HZ LYS 10 1HZ LYS 10 -3.159 16.655 16.655 79 2HZ LYS 10 2HZ LYS 10 -4.722 17.046 17.046 80 H ASP 11 H ASP 11 -2.045 9.775 9.775 81 HA ASP 11 HA ASP 11 -3.418 7.961 7.961 82 1HB ASP 11 2HB ASP 11 -0.952 7.767 7.767 83 2HB ASP 11 1HB ASP 11 -1.554 6.324 6.324 84 HD1 ASP 11 2HD ASP 11 -1.087 8.046 8.046 85 H ASN 12 H ASN 12 -3.433 8.532 8.532 86 HA ASN 12 HA ASN 12 -4.152 7.401 7.401 87 1HB ASN 12 2HB ASN 12 -6.274 8.190 8.190 88 2HB ASN 12 1HB ASN 12 -6.372 6.697 6.697 89 1HD2 ASN 12 2HD2 ASN 12 -8.527 5.549 5.549 90 2HD2 ASN 12 1HD2 ASN 12 -8.320 6.105 6.105 91 H ILE 13 H ILE 13 -2.186 5.817 5.817 92 HA ILE 13 HA ILE 13 -3.359 3.131 3.131 93 HB ILE 13 HB ILE 13 -1.426 2.475 2.475 94 1HG1 ILE 13 2HG1 ILE 13 -0.809 4.502 4.502 95 2HG1 ILE 13 3HG1 ILE 13 -1.190 5.466 5.466 96 1HG2 ILE 13 1HG2 ILE 13 -3.982 3.694 3.694 97 2HG2 ILE 13 2HG2 ILE 13 -2.806 3.899 3.899 98 3HG2 ILE 13 3HG2 ILE 13 -3.182 2.271 2.271 99 1HD1 ILE 13 3HD1 ILE 13 0.405 3.261 3.261 100 2HD1 ILE 13 1HD1 ILE 13 1.197 3.940 3.940 101 3HD1 ILE 13 2HD1 ILE 13 0.843 4.985 4.985 102 H CYS 14 H CYS 14 -1.466 1.478 1.478 103 HA CYS 14 HA CYS 14 0.102 2.724 2.724 104 1HB CYS 14 2HB CYS 14 -1.648 1.441 1.441 105 2HB CYS 14 1HB CYS 14 -1.327 0.063 0.063 106 H LYS 15 H LYS 15 2.136 2.861 2.861 107 HA LYS 15 HA LYS 15 3.031 0.590 0.590 108 1HB LYS 15 2HB LYS 15 4.738 2.063 2.063 109 2HB LYS 15 1HB LYS 15 3.188 2.871 2.871 110 1HG LYS 15 2HG LYS 15 3.682 4.060 4.060 111 2HG LYS 15 1HG LYS 15 5.258 3.296 3.296 112 1HD LYS 15 2HD LYS 15 4.262 5.103 5.103 113 2HD LYS 15 1HD LYS 15 5.312 5.626 5.626 114 1HE LYS 15 2HE LYS 15 6.379 3.203 3.203 115 2HE LYS 15 1HE LYS 15 6.093 4.433 4.433 116 1HZ LYS 15 1HZ LYS 15 8.317 4.483 4.483 117 2HZ LYS 15 2HZ LYS 15 7.549 5.907 5.907 118 H TYR 16 H TYR 16 4.504 -0.872 -0.872 119 HA TYR 16 HA TYR 16 6.356 -0.182 -0.182 120 1HB TYR 16 2HB TYR 16 5.373 -2.026 -2.026 121 2HB TYR 16 1HB TYR 16 4.354 -0.607 -0.607 122 HD1 TYR 16 HD1 TYR 16 2.582 -0.726 -0.726 123 HD2 TYR 16 HD2 TYR 16 4.377 -4.109 -4.109 124 HE1 TYR 16 HE1 TYR 16 0.652 -2.192 -2.192 125 HE2 TYR 16 HE2 TYR 16 2.441 -5.564 -5.564 126 HH TYR 16 HH TYR 16 0.699 -5.677 -5.677 127 H LYS 17 H LYS 17 7.767 -2.109 -2.109 128 HA LYS 17 HA LYS 17 8.056 -3.725 -3.725 129 1HB LYS 17 2HB LYS 17 9.898 -2.248 -2.248 130 2HB LYS 17 1HB LYS 17 10.080 -3.689 -3.689 131 1HG LYS 17 2HG LYS 17 9.898 -4.285 -4.285 132 2HG LYS 17 1HG LYS 17 11.258 -3.253 -3.253 133 1HD LYS 17 2HD LYS 17 12.085 -4.869 -4.869 134 2HD LYS 17 1HD LYS 17 10.646 -5.855 -5.855 135 1HE LYS 17 2HE LYS 17 11.307 -6.713 -6.713 136 2HE LYS 17 1HE LYS 17 12.212 -5.277 -5.277 137 1HZ LYS 17 1HZ LYS 17 14.014 -5.952 -5.952 138 2HZ LYS 17 2HZ LYS 17 13.141 -6.999 -6.999 139 H ALA 18 H ALA 18 6.700 -5.474 -5.474 140 HA ALA 18 HA ALA 18 5.752 -6.715 -6.715 141 1HB ALA 18 2HB ALA 18 5.519 -7.066 -7.066 142 2HB ALA 18 3HB ALA 18 6.543 -8.469 -8.469 143 3HB ALA 18 1HB ALA 18 4.964 -8.272 -8.272 144 H GLN 19 H GLN 19 6.336 -9.076 -9.076 145 HA GLN 19 HA GLN 19 8.869 -8.908 -8.908 146 1HB GLN 19 2HB GLN 19 6.540 -10.349 -10.349 147 2HB GLN 19 1HB GLN 19 7.636 -11.601 -11.601 148 1HG GLN 19 2HG GLN 19 9.354 -10.579 -10.579 149 2HG GLN 19 1HG GLN 19 7.986 -9.722 -9.722 150 1HE2 GLN 19 2HE2 GLN 19 7.300 -12.376 -12.376 151 2HE2 GLN 19 1HE2 GLN 19 7.595 -10.687 -10.687 152 H SER 20 H SER 20 7.639 -10.313 -10.313 153 HA SER 20 HA SER 20 10.281 -11.477 -11.477 154 1HB SER 20 2HB SER 20 8.845 -12.761 -12.761 155 2HB SER 20 1HB SER 20 8.969 -13.356 -13.356 156 HG SER 20 HG SER 20 6.925 -12.590 -12.590 157 H GLY 21 H GLY 21 8.456 -8.799 -8.799 158 1HA GLY 21 1HA GLY 21 8.780 -7.122 -7.122 159 2HA GLY 21 2HA GLY 21 10.001 -8.078 -8.078 160 H LYS 22 H LYS 22 7.258 -10.037 -10.037 161 HA LYS 22 HA LYS 22 6.725 -9.987 -9.987 162 1HB LYS 22 2HB LYS 22 6.425 -11.833 -11.833 163 2HB LYS 22 1HB LYS 22 4.792 -11.199 -11.199 164 1HG LYS 22 2HG LYS 22 5.714 -11.548 -11.548 165 2HG LYS 22 1HG LYS 22 5.898 -13.043 -13.043 166 1HD LYS 22 2HD LYS 22 3.604 -13.274 -13.274 167 2HD LYS 22 1HD LYS 22 3.312 -11.546 -11.546 168 1HE LYS 22 2HE LYS 22 2.390 -12.139 -12.139 169 2HE LYS 22 1HE LYS 22 4.022 -11.746 -11.746 170 1HZ LYS 22 1HZ LYS 22 3.803 -14.476 -14.476 171 2HZ LYS 22 2HZ LYS 22 2.782 -14.155 -14.155 172 H THR 23 H THR 23 5.266 -8.433 -8.433 173 HA THR 23 HA THR 23 3.041 -7.435 -7.435 174 HB THR 23 HB THR 23 3.580 -8.024 -8.024 175 HG1 THR 23 1HG THR 23 1.412 -8.041 -8.041 176 1HG2 THR 23 1HG2 THR 23 4.424 -5.455 -5.455 177 2HG2 THR 23 2HG2 THR 23 2.671 -5.150 -5.150 178 3HG2 THR 23 3HG2 THR 23 3.442 -6.034 -6.034 179 H ALA 24 H ALA 24 2.626 -4.888 -4.888 180 HA ALA 24 HA ALA 24 4.558 -3.064 -3.064 181 1HB ALA 24 2HB ALA 24 4.613 -4.354 -4.354 182 2HB ALA 24 3HB ALA 24 4.901 -2.602 -2.602 183 3HB ALA 24 1HB ALA 24 5.955 -3.738 -3.738 184 H ILE 25 H ILE 25 3.263 -1.365 -1.365 185 HA ILE 25 HA ILE 25 1.587 0.069 0.069 186 HB ILE 25 HB ILE 25 1.287 -0.576 -0.576 187 1HG1 ILE 25 2HG1 ILE 25 3.503 0.862 0.862 188 2HG1 ILE 25 3HG1 ILE 25 3.596 -0.307 -0.307 189 1HG2 ILE 25 3HG2 ILE 25 -0.405 0.910 0.910 190 2HG2 ILE 25 1HG2 ILE 25 0.865 1.967 1.967 191 3HG2 ILE 25 2HG2 ILE 25 0.680 1.795 1.795 192 1HD1 ILE 25 2HD1 ILE 25 2.322 1.477 1.477 193 2HD1 ILE 25 3HD1 ILE 25 2.799 2.616 2.616 194 3HD1 ILE 25 1HD1 ILE 25 4.046 1.751 1.751 195 H CYS 26 H CYS 26 -0.646 0.134 0.134 196 HA CYS 26 HA CYS 26 -2.318 -1.935 -1.935 197 1HB CYS 26 2HB CYS 26 -1.276 -3.235 -3.235 198 2HB CYS 26 1HB CYS 26 -1.547 -1.975 -1.975 199 H LYS 27 H LYS 27 -3.979 -0.569 -0.569 200 HA LYS 27 HA LYS 27 -4.496 1.914 1.914 201 1HB LYS 27 2HB LYS 27 -7.018 1.163 1.163 202 2HB LYS 27 1HB LYS 27 -5.867 1.298 1.298 203 1HG LYS 27 2HG LYS 27 -5.808 -1.339 -1.339 204 2HG LYS 27 1HG LYS 27 -7.343 -0.977 -0.977 205 1HD LYS 27 2HD LYS 27 -4.849 -0.413 -0.413 206 2HD LYS 27 1HD LYS 27 -5.281 -2.094 -2.094 207 1HE LYS 27 2HE LYS 27 -7.722 -1.190 -1.190 208 2HE LYS 27 1HE LYS 27 -6.767 0.055 0.055 209 1HZ LYS 27 1HZ LYS 27 -5.904 -1.447 -1.447 210 2HZ LYS 27 2HZ LYS 27 -5.870 -2.688 -2.688 211 H CYS 28 H CYS 28 -5.483 3.029 3.029 212 HA CYS 28 HA CYS 28 -5.458 1.691 1.691 213 1HB CYS 28 2HB CYS 28 -5.424 4.364 4.364 214 2HB CYS 28 1HB CYS 28 -6.826 4.219 4.219 215 H TYR 29 H TYR 29 -7.041 -0.059 -0.059 216 HA TYR 29 HA TYR 29 -9.773 0.773 0.773 217 1HB TYR 29 2HB TYR 29 -9.243 -1.240 -1.240 218 2HB TYR 29 1HB TYR 29 -8.027 -1.691 -1.691 219 HD1 TYR 29 HD2 TYR 29 -11.746 -1.396 -1.396 220 HD2 TYR 29 HD1 TYR 29 -8.475 -3.413 -3.413 221 HE1 TYR 29 HE2 TYR 29 -13.361 -3.062 -3.062 222 HE2 TYR 29 HE1 TYR 29 -10.101 -5.073 -5.073 223 HH TYR 29 HH TYR 29 -12.380 -5.226 -5.226 224 H VAL 30 H VAL 30 -7.867 0.878 0.878 225 HA VAL 30 HA VAL 30 -9.914 -0.253 -0.253 226 HB VAL 30 HB VAL 30 -7.150 0.662 0.662 227 1HG1 VAL 30 2HG1 VAL 30 -9.353 -0.270 -0.270 228 2HG1 VAL 30 3HG1 VAL 30 -8.236 -1.653 -1.653 229 3HG1 VAL 30 1HG1 VAL 30 -7.676 -0.096 -0.096 230 1HG2 VAL 30 3HG2 VAL 30 -6.982 -0.971 -0.971 231 2HG2 VAL 30 1HG2 VAL 30 -6.308 -1.581 -1.581 232 3HG2 VAL 30 2HG2 VAL 30 -7.906 -2.138 -2.138 233 H LYS 31 H LYS 31 -7.612 2.567 2.567 234 HA LYS 31 HA LYS 31 -9.842 4.333 4.333 235 1HB LYS 31 2HB LYS 31 -7.849 3.579 3.579 236 2HB LYS 31 1HB LYS 31 -8.265 5.277 5.277 237 1HG LYS 31 2HG LYS 31 -10.767 4.339 4.339 238 2HG LYS 31 1HG LYS 31 -10.052 2.930 2.930 239 1HD LYS 31 2HD LYS 31 -9.454 4.103 4.103 240 2HD LYS 31 1HD LYS 31 -9.391 5.651 5.651 241 1HE LYS 31 2HE LYS 31 -12.071 4.316 4.316 242 2HE LYS 31 1HE LYS 31 -11.482 4.855 4.855 243 1HZ LYS 31 1HZ LYS 31 -11.952 6.957 6.957 244 2HZ LYS 31 2HZ LYS 31 -11.024 6.880 6.880 245 H LYS 32 H LYS 32 -9.547 6.224 6.224 246 HA LYS 32 HA LYS 32 -7.670 6.586 6.586 247 1HB LYS 32 2HB LYS 32 -9.764 7.967 7.967 248 2HB LYS 32 1HB LYS 32 -8.724 8.910 8.910 249 1HG LYS 32 2HG LYS 32 -7.324 9.608 9.608 250 2HG LYS 32 1HG LYS 32 -7.983 8.390 8.390 251 1HD LYS 32 2HD LYS 32 -9.679 10.631 10.631 252 2HD LYS 32 1HD LYS 32 -8.850 10.784 10.784 253 1HE LYS 32 2HE LYS 32 -10.084 8.820 8.820 254 2HE LYS 32 1HE LYS 32 -10.871 8.587 8.587 255 1HZ LYS 32 1HZ LYS 32 -12.004 10.007 10.007 256 2HZ LYS 32 2HZ LYS 32 -12.202 10.425 10.425 257 H CYS 33 H CYS 33 -5.736 7.993 7.993 258 HA CYS 33 HA CYS 33 -4.008 7.463 7.463 259 1HB CYS 33 2HB CYS 33 -2.897 7.030 7.030 260 2HB CYS 33 1HB CYS 33 -3.672 8.333 8.333 261 HA PRO 34 HA PRO 34 -4.413 11.488 11.488 262 1HB PRO 34 2HB PRO 34 -2.198 11.597 11.597 263 2HB PRO 34 1HB PRO 34 -3.684 10.798 10.798 264 1HG PRO 34 2HG PRO 34 -1.132 9.594 9.594 265 2HG PRO 34 1HG PRO 34 -2.457 8.845 8.845 266 1HD PRO 34 2HD PRO 34 -1.842 8.542 8.542 267 2HD PRO 34 1HD PRO 34 -3.232 7.888 7.888 268 H ARG 35 H ARG 35 -1.239 10.671 10.671 269 HA ARG 35 HA ARG 35 -1.280 12.797 12.797 270 1HB ARG 35 2HB ARG 35 0.391 14.327 14.327 271 2HB ARG 35 1HB ARG 35 -1.004 14.202 14.202 272 1HG ARG 35 2HG ARG 35 0.530 12.143 12.143 273 2HG ARG 35 1HG ARG 35 1.789 13.228 13.228 274 1HD ARG 35 2HD ARG 35 0.135 15.022 15.022 275 2HD ARG 35 1HD ARG 35 -0.176 13.586 13.586 276 HE ARG 35 HE ARG 35 2.677 14.067 14.067 277 1HH1 ARG 35 2HH2 ARG 35 -0.062 14.775 14.775 278 2HH1 ARG 35 1HH2 ARG 35 0.939 15.169 15.169 279 HH2 ARG 35 1HH ARG 35 3.322 15.050 15.050 280 H ASP 36 H ASP 36 0.636 12.766 12.766 281 HA ASP 36 HA ASP 36 1.734 10.419 10.419 282 1HB ASP 36 2HB ASP 36 2.276 12.037 12.037 283 2HB ASP 36 1HB ASP 36 2.671 13.244 13.244 284 HD1 ASP 36 2HD ASP 36 4.866 13.173 13.173 285 H GLY 37 H GLY 37 3.402 9.105 9.105 286 1HA GLY 37 1HA GLY 37 5.425 8.774 8.774 287 2HA GLY 37 2HA GLY 37 5.201 10.279 10.279 288 H ALA 38 H ALA 38 2.261 9.645 9.645 289 HA ALA 38 HA ALA 38 2.341 8.778 8.778 290 1HB ALA 38 1HB ALA 38 0.236 8.111 8.111 291 2HB ALA 38 2HB ALA 38 -0.011 8.048 8.048 292 3HB ALA 38 3HB ALA 38 0.328 9.603 9.603 293 H LYS 39 H LYS 39 3.202 7.030 7.030 294 HA LYS 39 HA LYS 39 3.958 4.747 4.747 295 1HB LYS 39 2HB LYS 39 5.189 5.610 5.610 296 2HB LYS 39 1HB LYS 39 3.840 5.188 5.188 297 1HG LYS 39 2HG LYS 39 4.577 2.901 2.901 298 2HG LYS 39 1HG LYS 39 5.986 3.502 3.502 299 1HD LYS 39 2HD LYS 39 5.208 2.226 2.226 300 2HD LYS 39 1HD LYS 39 4.139 3.583 3.583 301 1HE LYS 39 2HE LYS 39 3.266 1.503 1.503 302 2HE LYS 39 1HE LYS 39 3.187 1.089 1.089 303 1HZ LYS 39 1HZ LYS 39 1.150 2.105 2.105 304 2HZ LYS 39 2HZ LYS 39 2.000 3.404 3.404 305 H CYS 40 H CYS 40 3.121 2.605 2.605 306 HA CYS 40 HA CYS 40 0.632 2.197 2.197 307 1HB CYS 40 2HB CYS 40 -0.227 3.208 3.208 308 2HB CYS 40 1HB CYS 40 0.782 2.204 2.204 309 H GLU 41 H GLU 41 -0.011 -0.188 -0.188 310 HA GLU 41 HA GLU 41 2.336 -1.776 -1.776 311 1HB GLU 41 2HB GLU 41 1.489 -3.322 -3.322 312 2HB GLU 41 1HB GLU 41 2.377 -1.871 -1.871 313 1HG GLU 41 2HG GLU 41 0.136 -0.668 -0.668 314 2HG GLU 41 1HG GLU 41 -0.657 -2.215 -2.215 315 HE2 GLU 41 2HE GLU 41 0.928 -1.255 -1.255 316 H PHE 42 H PHE 42 1.892 -3.950 -3.950 317 HA PHE 42 HA PHE 42 -0.823 -4.140 -4.140 318 1HB PHE 42 2HB PHE 42 0.994 -4.038 -4.038 319 2HB PHE 42 1HB PHE 42 1.949 -5.206 -5.206 320 HD1 PHE 42 2HD PHE 42 -1.256 -4.871 -4.871 321 HD2 PHE 42 1HD PHE 42 1.834 -7.467 -7.467 322 HE1 PHE 42 2HE PHE 42 -2.224 -6.725 -6.725 323 HE2 PHE 42 1HE PHE 42 0.866 -9.321 -9.321 324 HZ PHE 42 HZ PHE 42 -1.151 -8.927 -8.927 325 H ASP 43 H ASP 43 -2.066 -5.382 -5.382 326 HA ASP 43 HA ASP 43 -0.972 -7.345 -7.345 327 1HB ASP 43 2HB ASP 43 -3.399 -6.044 -6.044 328 2HB ASP 43 1HB ASP 43 -3.831 -7.633 -7.633 329 HD2 ASP 43 2HD ASP 43 -3.048 -6.059 -6.059 330 H SER 44 H SER 44 -0.754 -9.612 -9.612 331 HA SER 44 HA SER 44 -1.200 -10.455 -10.455 332 1HB SER 44 2HB SER 44 0.408 -12.148 -12.148 333 2HB SER 44 1HB SER 44 1.021 -10.773 -10.773 334 HG SER 44 HG SER 44 0.550 -13.203 -13.203 335 H TYR 45 H TYR 45 -2.611 -10.636 -10.636 336 HA TYR 45 HA TYR 45 -3.723 -13.228 -13.228 337 1HB TYR 45 2HB TYR 45 -4.725 -12.471 -12.471 338 2HB TYR 45 1HB TYR 45 -3.380 -11.355 -11.355 339 HD1 TYR 45 HD1 TYR 45 -4.348 -9.470 -9.470 340 HD2 TYR 45 HD2 TYR 45 -6.414 -11.264 -11.264 341 HE1 TYR 45 HE1 TYR 45 -5.972 -7.515 -7.515 342 HE2 TYR 45 HE2 TYR 45 -8.031 -9.302 -9.302 343 HH TYR 45 HH TYR 45 -8.640 -7.419 -7.419 344 H LYS 46 H LYS 46 -4.312 -10.433 -10.433 345 HA LYS 46 HA LYS 46 -6.755 -11.621 -11.621 346 1HB LYS 46 2HB LYS 46 -6.675 -8.856 -8.856 347 2HB LYS 46 1HB LYS 46 -7.920 -9.369 -9.369 348 1HG LYS 46 2HG LYS 46 -8.051 -11.477 -11.477 349 2HG LYS 46 1HG LYS 46 -7.386 -10.312 -10.312 350 1HD LYS 46 2HD LYS 46 -9.759 -10.107 -10.107 351 2HD LYS 46 1HD LYS 46 -9.270 -8.711 -8.711 352 1HE LYS 46 2HE LYS 46 -10.103 -9.622 -9.622 353 2HE LYS 46 1HE LYS 46 -10.096 -11.263 -11.263 354 1HZ LYS 46 1HZ LYS 46 -12.228 -10.931 -10.931 355 2HZ LYS 46 2HZ LYS 46 -11.781 -9.811 -9.811 356 H GLY 47 H GLY 47 -4.678 -8.639 -8.639 357 1HA GLY 47 1HA GLY 47 -3.187 -8.485 -8.485 358 2HA GLY 47 2HA GLY 47 -4.486 -9.112 -9.112 359 H LYS 48 H LYS 48 -4.429 -6.594 -6.594 360 HA LYS 48 HA LYS 48 -5.528 -4.729 -4.729 361 1HB LYS 48 2HB LYS 48 -6.274 -5.178 -5.178 362 2HB LYS 48 1HB LYS 48 -6.618 -3.664 -3.664 363 1HG LYS 48 2HG LYS 48 -8.588 -4.879 -4.879 364 2HG LYS 48 1HG LYS 48 -7.685 -5.165 -5.165 365 1HD LYS 48 2HD LYS 48 -7.044 -7.370 -7.370 366 2HD LYS 48 1HD LYS 48 -7.426 -7.067 -7.067 367 1HE LYS 48 2HE LYS 48 -9.563 -7.008 -7.008 368 2HE LYS 48 1HE LYS 48 -9.120 -8.490 -8.490 369 1HZ LYS 48 1HZ LYS 48 -10.724 -7.759 -7.759 370 2HZ LYS 48 2HZ LYS 48 -9.514 -6.894 -6.894 371 H CYS 49 H CYS 49 -5.215 -2.332 -2.332 372 HA CYS 49 HA CYS 49 -2.448 -2.221 -2.221 373 1HB CYS 49 2HB CYS 49 -2.406 -0.006 -0.006 374 2HB CYS 49 1HB CYS 49 -2.140 -1.533 -1.533 375 H TYR 50 H TYR 50 -2.943 -1.799 -1.799 376 HA TYR 50 HA TYR 50 -5.073 -0.138 -0.138 377 1HB TYR 50 2HB TYR 50 -2.518 -1.361 -1.361 378 2HB TYR 50 1HB TYR 50 -3.349 -0.172 -0.172 379 HD1 TYR 50 HD2 TYR 50 -3.562 -3.543 -3.543 380 HD2 TYR 50 HD1 TYR 50 -5.490 -0.671 -0.671 381 HE1 TYR 50 HE2 TYR 50 -5.132 -5.345 -5.345 382 HE2 TYR 50 HE1 TYR 50 -7.054 -2.482 -2.482 383 HH TYR 50 HH TYR 50 -6.759 -5.825 -5.825 384 H CYS 51 H CYS 51 -4.468 1.632 1.632 385 HA CYS 51 HA CYS 51 -2.229 3.225 3.225 386 1HB CYS 51 2HB CYS 51 -4.827 4.317 4.317 387 2HB CYS 51 1HB CYS 51 -3.189 4.749 4.749 Start of MODEL 4 1 H ALA 1 H ALA 1 2.423 -10.688 -10.688 2 HA ALA 1 HA ALA 1 4.999 -11.166 -11.166 3 1HB ALA 1 2HB ALA 1 2.753 -12.853 -12.853 4 2HB ALA 1 3HB ALA 1 3.607 -12.013 -12.013 5 3HB ALA 1 1HB ALA 1 4.507 -13.075 -13.075 6 H THR 2 H THR 2 3.267 -8.975 -8.975 7 HA THR 2 HA THR 2 2.302 -7.659 -7.659 8 HB THR 2 HB THR 2 2.725 -6.248 -6.248 9 HG1 THR 2 1HG THR 2 1.849 -8.059 -8.059 10 1HG2 THR 2 2HG2 THR 2 1.082 -5.890 -5.890 11 2HG2 THR 2 3HG2 THR 2 -0.007 -6.551 -6.551 12 3HG2 THR 2 1HG2 THR 2 0.907 -5.057 -5.057 13 H TYR 3 H TYR 3 3.168 -5.900 -5.900 14 HA TYR 3 HA TYR 3 6.043 -5.568 -5.568 15 1HB TYR 3 2HB TYR 3 4.256 -4.695 -4.695 16 2HB TYR 3 1HB TYR 3 5.997 -4.887 -4.887 17 HD1 TYR 3 HD1 TYR 3 5.542 -7.621 -7.621 18 HD2 TYR 3 HD2 TYR 3 4.245 -6.121 -6.121 19 HE1 TYR 3 HE1 TYR 3 5.259 -10.000 -10.000 20 HE2 TYR 3 HE2 TYR 3 3.966 -8.505 -8.505 21 HH TYR 3 HH TYR 3 3.488 -10.875 -10.875 22 H ASN 4 H ASN 4 6.496 -3.160 -3.160 23 HA ASN 4 HA ASN 4 4.709 -1.241 -1.241 24 1HB ASN 4 2HB ASN 4 7.702 -1.098 -1.098 25 2HB ASN 4 1HB ASN 4 6.441 -0.079 -0.079 26 1HD2 ASN 4 2HD2 ASN 4 5.055 -2.636 -2.636 27 2HD2 ASN 4 1HD2 ASN 4 4.582 -1.396 -1.396 28 H GLY 5 H GLY 5 4.951 0.872 0.872 29 1HA GLY 5 1HA GLY 5 7.103 1.425 1.425 30 2HA GLY 5 2HA GLY 5 5.690 0.863 0.863 31 H LYS 6 H LYS 6 4.841 2.702 2.702 32 HA LYS 6 HA LYS 6 3.817 4.693 4.693 33 1HB LYS 6 2HB LYS 6 5.546 5.550 5.550 34 2HB LYS 6 1HB LYS 6 4.806 6.574 6.574 35 1HG LYS 6 2HG LYS 6 6.192 5.498 5.498 36 2HG LYS 6 1HG LYS 6 6.914 4.438 4.438 37 1HD LYS 6 2HD LYS 6 7.727 6.517 6.517 38 2HD LYS 6 1HD LYS 6 7.149 7.480 7.480 39 1HE LYS 6 2HE LYS 6 8.819 6.737 6.737 40 2HE LYS 6 1HE LYS 6 8.927 5.159 5.159 41 1HZ LYS 6 1HZ LYS 6 9.911 7.657 7.657 42 2HZ LYS 6 2HZ LYS 6 10.867 6.603 6.603 43 H CYS 7 H CYS 7 2.146 6.060 6.060 44 HA CYS 7 HA CYS 7 1.120 4.795 4.795 45 1HB CYS 7 2HB CYS 7 -1.176 5.531 5.531 46 2HB CYS 7 1HB CYS 7 -0.448 3.973 3.973 47 H TYR 8 H TYR 8 -0.318 6.328 6.328 48 HA TYR 8 HA TYR 8 0.565 9.101 9.101 49 1HB TYR 8 2HB TYR 8 -0.210 7.416 7.416 50 2HB TYR 8 1HB TYR 8 0.062 9.144 9.144 51 HD1 TYR 8 HD2 TYR 8 2.342 8.290 8.290 52 HD2 TYR 8 HD1 TYR 8 1.633 7.651 7.651 53 HE1 TYR 8 HE2 TYR 8 4.824 7.878 7.878 54 HE2 TYR 8 HE1 TYR 8 4.117 7.240 7.240 55 HH TYR 8 HH TYR 8 6.359 7.284 7.284 56 H LYS 9 H LYS 9 -0.962 10.811 10.811 57 HA LYS 9 HA LYS 9 -3.643 10.023 10.023 58 1HB LYS 9 2HB LYS 9 -1.986 12.335 12.335 59 2HB LYS 9 1HB LYS 9 -3.431 12.818 12.818 60 1HG LYS 9 2HG LYS 9 -4.742 11.443 11.443 61 2HG LYS 9 1HG LYS 9 -3.248 11.455 11.455 62 1HD LYS 9 2HD LYS 9 -3.259 13.831 13.831 63 2HD LYS 9 1HD LYS 9 -4.383 14.049 14.049 64 1HE LYS 9 2HE LYS 9 -6.249 13.479 13.479 65 2HE LYS 9 1HE LYS 9 -5.335 12.418 12.418 66 1HZ LYS 9 1HZ LYS 9 -4.367 15.057 15.057 67 2HZ LYS 9 2HZ LYS 9 -5.985 15.084 15.084 68 H LYS 10 H LYS 10 -2.175 12.052 12.052 69 HA LYS 10 HA LYS 10 -4.383 12.261 12.261 70 1HB LYS 10 2HB LYS 10 -1.889 13.151 13.151 71 2HB LYS 10 1HB LYS 10 -1.725 11.805 11.805 72 1HG LYS 10 2HG LYS 10 -4.147 12.896 12.896 73 2HG LYS 10 1HG LYS 10 -3.270 14.327 14.327 74 1HD LYS 10 2HD LYS 10 -1.656 14.109 14.109 75 2HD LYS 10 1HD LYS 10 -1.747 12.359 12.359 76 1HE LYS 10 2HE LYS 10 -3.534 12.317 12.317 77 2HE LYS 10 1HE LYS 10 -4.211 13.821 13.821 78 1HZ LYS 10 1HZ LYS 10 -3.308 14.533 14.533 79 2HZ LYS 10 2HZ LYS 10 -1.984 14.763 14.763 80 H ASP 11 H ASP 11 -1.858 9.653 9.653 81 HA ASP 11 HA ASP 11 -3.424 8.211 8.211 82 1HB ASP 11 2HB ASP 11 -0.999 7.485 7.485 83 2HB ASP 11 1HB ASP 11 -1.714 6.361 6.361 84 HD1 ASP 11 2HD ASP 11 -1.213 9.018 9.018 85 H ASN 12 H ASN 12 -3.496 8.689 8.689 86 HA ASN 12 HA ASN 12 -4.280 7.568 7.568 87 1HB ASN 12 2HB ASN 12 -6.359 8.371 8.371 88 2HB ASN 12 1HB ASN 12 -6.430 6.902 6.902 89 1HD2 ASN 12 2HD2 ASN 12 -8.714 5.770 5.770 90 2HD2 ASN 12 1HD2 ASN 12 -8.457 6.401 6.401 91 H ILE 13 H ILE 13 -2.292 5.969 5.969 92 HA ILE 13 HA ILE 13 -3.471 3.292 3.292 93 HB ILE 13 HB ILE 13 -1.687 2.556 2.556 94 1HG1 ILE 13 2HG1 ILE 13 -0.852 4.358 4.358 95 2HG1 ILE 13 3HG1 ILE 13 -1.384 5.543 5.543 96 1HG2 ILE 13 3HG2 ILE 13 -4.223 3.778 3.778 97 2HG2 ILE 13 1HG2 ILE 13 -3.130 4.175 4.175 98 3HG2 ILE 13 2HG2 ILE 13 -3.411 2.475 2.475 99 1HD1 ILE 13 1HD1 ILE 13 0.188 3.392 3.392 100 2HD1 ILE 13 2HD1 ILE 13 1.095 4.249 4.249 101 3HD1 ILE 13 3HD1 ILE 13 0.403 5.156 5.156 102 H CYS 14 H CYS 14 -1.428 1.676 1.676 103 HA CYS 14 HA CYS 14 0.257 2.969 2.969 104 1HB CYS 14 2HB CYS 14 -1.200 1.870 1.870 105 2HB CYS 14 1HB CYS 14 -1.486 0.561 0.561 106 H LYS 15 H LYS 15 2.383 2.737 2.737 107 HA LYS 15 HA LYS 15 3.027 0.435 0.435 108 1HB LYS 15 2HB LYS 15 4.283 3.193 3.193 109 2HB LYS 15 1HB LYS 15 4.917 1.855 1.855 110 1HG LYS 15 2HG LYS 15 2.988 1.782 1.782 111 2HG LYS 15 1HG LYS 15 2.028 2.748 2.748 112 1HD LYS 15 2HD LYS 15 2.792 4.075 4.075 113 2HD LYS 15 1HD LYS 15 3.393 4.740 4.740 114 1HE LYS 15 2HE LYS 15 5.591 4.218 4.218 115 2HE LYS 15 1HE LYS 15 5.176 2.704 2.704 116 1HZ LYS 15 1HZ LYS 15 5.805 4.013 4.013 117 2HZ LYS 15 2HZ LYS 15 4.200 4.289 4.289 118 H TYR 16 H TYR 16 4.592 -0.993 -0.993 119 HA TYR 16 HA TYR 16 6.485 -0.266 -0.266 120 1HB TYR 16 2HB TYR 16 5.549 -2.086 -2.086 121 2HB TYR 16 1HB TYR 16 4.513 -0.679 -0.679 122 HD1 TYR 16 HD1 TYR 16 2.714 -0.859 -0.859 123 HD2 TYR 16 HD2 TYR 16 4.553 -4.175 -4.175 124 HE1 TYR 16 HE1 TYR 16 0.782 -2.358 -2.358 125 HE2 TYR 16 HE2 TYR 16 2.616 -5.663 -5.663 126 HH TYR 16 HH TYR 16 0.863 -5.823 -5.823 127 H LYS 17 H LYS 17 8.044 -2.021 -2.021 128 HA LYS 17 HA LYS 17 8.274 -3.690 -3.690 129 1HB LYS 17 2HB LYS 17 10.120 -2.240 -2.240 130 2HB LYS 17 1HB LYS 17 10.259 -3.599 -3.599 131 1HG LYS 17 2HG LYS 17 10.225 -4.162 -4.162 132 2HG LYS 17 1HG LYS 17 11.684 -3.487 -3.487 133 1HD LYS 17 2HD LYS 17 11.437 -5.388 -5.388 134 2HD LYS 17 1HD LYS 17 10.335 -6.127 -6.127 135 1HE LYS 17 2HE LYS 17 12.200 -5.882 -5.882 136 2HE LYS 17 1HE LYS 17 13.273 -5.443 -5.443 137 1HZ LYS 17 1HZ LYS 17 13.079 -7.920 -7.920 138 2HZ LYS 17 2HZ LYS 17 13.105 -7.568 -7.568 139 H ALA 18 H ALA 18 7.114 -5.548 -5.548 140 HA ALA 18 HA ALA 18 6.046 -6.802 -6.802 141 1HB ALA 18 2HB ALA 18 5.682 -7.158 -7.158 142 2HB ALA 18 3HB ALA 18 7.055 -8.287 -8.287 143 3HB ALA 18 1HB ALA 18 5.588 -8.592 -8.592 144 H GLN 19 H GLN 19 6.633 -8.939 -8.939 145 HA GLN 19 HA GLN 19 9.138 -8.760 -8.760 146 1HB GLN 19 2HB GLN 19 6.790 -10.288 -10.288 147 2HB GLN 19 1HB GLN 19 8.043 -11.478 -11.478 148 1HG GLN 19 2HG GLN 19 8.753 -9.246 -9.246 149 2HG GLN 19 1HG GLN 19 7.557 -10.389 -10.389 150 1HE2 GLN 19 2HE2 GLN 19 10.847 -11.638 -11.638 151 2HE2 GLN 19 1HE2 GLN 19 9.825 -10.267 -10.267 152 H SER 20 H SER 20 8.172 -9.939 -9.939 153 HA SER 20 HA SER 20 10.811 -11.124 -11.124 154 1HB SER 20 2HB SER 20 9.404 -12.644 -12.644 155 2HB SER 20 1HB SER 20 9.740 -13.142 -13.142 156 HG SER 20 HG SER 20 7.399 -13.156 -13.156 157 H GLY 21 H GLY 21 9.053 -8.550 -8.550 158 1HA GLY 21 1HA GLY 21 9.270 -6.993 -6.993 159 2HA GLY 21 2HA GLY 21 10.343 -8.062 -8.062 160 H LYS 22 H LYS 22 7.650 -9.925 -9.925 161 HA LYS 22 HA LYS 22 6.767 -9.971 -9.971 162 1HB LYS 22 2HB LYS 22 6.708 -11.859 -11.859 163 2HB LYS 22 1HB LYS 22 5.352 -11.064 -11.064 164 1HG LYS 22 2HG LYS 22 5.148 -11.414 -11.414 165 2HG LYS 22 1HG LYS 22 5.074 -12.883 -12.883 166 1HD LYS 22 2HD LYS 22 3.152 -12.123 -12.123 167 2HD LYS 22 1HD LYS 22 3.366 -10.466 -10.466 168 1HE LYS 22 2HE LYS 22 2.236 -10.821 -10.821 169 2HE LYS 22 1HE LYS 22 3.089 -12.316 -12.316 170 1HZ LYS 22 1HZ LYS 22 1.550 -13.140 -13.140 171 2HZ LYS 22 2HZ LYS 22 0.586 -11.934 -11.934 172 H THR 23 H THR 23 4.957 -8.977 -8.977 173 HA THR 23 HA THR 23 2.841 -7.796 -7.796 174 HB THR 23 HB THR 23 3.755 -8.193 -8.193 175 HG1 THR 23 1HG THR 23 1.530 -6.577 -6.577 176 1HG2 THR 23 3HG2 THR 23 4.502 -5.595 -5.595 177 2HG2 THR 23 1HG2 THR 23 2.788 -5.357 -5.357 178 3HG2 THR 23 2HG2 THR 23 3.886 -6.148 -6.148 179 H ALA 24 H ALA 24 2.501 -5.187 -5.187 180 HA ALA 24 HA ALA 24 4.633 -3.492 -3.492 181 1HB ALA 24 1HB ALA 24 4.136 -4.899 -4.899 182 2HB ALA 24 2HB ALA 24 3.013 -3.535 -3.535 183 3HB ALA 24 3HB ALA 24 4.751 -3.229 -3.229 184 H ILE 25 H ILE 25 2.895 -1.730 -1.730 185 HA ILE 25 HA ILE 25 1.655 -0.278 -0.278 186 HB ILE 25 HB ILE 25 0.676 -0.275 -0.275 187 1HG1 ILE 25 2HG1 ILE 25 2.827 1.433 1.433 188 2HG1 ILE 25 3HG1 ILE 25 3.454 0.106 0.106 189 1HG2 ILE 25 1HG2 ILE 25 0.498 1.460 1.460 190 2HG2 ILE 25 2HG2 ILE 25 1.294 2.302 2.302 191 3HG2 ILE 25 3HG2 ILE 25 -0.315 1.576 1.576 192 1HD1 ILE 25 2HD1 ILE 25 2.145 -1.262 -1.262 193 2HD1 ILE 25 3HD1 ILE 25 2.734 0.182 0.182 194 3HD1 ILE 25 1HD1 ILE 25 3.882 -0.875 -0.875 195 H CYS 26 H CYS 26 -0.267 -0.378 -0.378 196 HA CYS 26 HA CYS 26 -2.224 -2.288 -2.288 197 1HB CYS 26 2HB CYS 26 -0.841 -3.173 -3.173 198 2HB CYS 26 1HB CYS 26 -1.627 -1.962 -1.962 199 H LYS 27 H LYS 27 -3.741 -0.800 -0.800 200 HA LYS 27 HA LYS 27 -4.188 1.723 1.723 201 1HB LYS 27 2HB LYS 27 -6.659 1.186 1.186 202 2HB LYS 27 1HB LYS 27 -5.389 1.085 1.085 203 1HG LYS 27 2HG LYS 27 -5.524 -1.214 -1.214 204 2HG LYS 27 1HG LYS 27 -5.833 -1.423 -1.423 205 1HD LYS 27 2HD LYS 27 -7.921 -1.999 -1.999 206 2HD LYS 27 1HD LYS 27 -8.173 -0.289 -0.289 207 1HE LYS 27 2HE LYS 27 -7.782 0.259 0.259 208 2HE LYS 27 1HE LYS 27 -7.174 -1.348 -1.348 209 1HZ LYS 27 1HZ LYS 27 -9.417 -2.217 -2.217 210 2HZ LYS 27 2HZ LYS 27 -9.970 -0.705 -0.705 211 H CYS 28 H CYS 28 -5.592 2.825 2.825 212 HA CYS 28 HA CYS 28 -5.531 1.711 1.711 213 1HB CYS 28 2HB CYS 28 -5.836 4.222 4.222 214 2HB CYS 28 1HB CYS 28 -7.455 3.895 3.895 215 H TYR 29 H TYR 29 -8.276 2.629 2.629 216 HA TYR 29 HA TYR 29 -10.264 1.284 1.284 217 1HB TYR 29 2HB TYR 29 -8.675 -0.619 -0.619 218 2HB TYR 29 1HB TYR 29 -9.167 -0.156 -0.156 219 HD1 TYR 29 HD2 TYR 29 -12.022 0.442 0.442 220 HD2 TYR 29 HD1 TYR 29 -9.627 -2.851 -2.851 221 HE1 TYR 29 HE2 TYR 29 -14.035 -1.100 -1.100 222 HE2 TYR 29 HE1 TYR 29 -11.649 -4.382 -4.382 223 HH TYR 29 HH TYR 29 -14.094 -3.947 -3.947 224 H VAL 30 H VAL 30 -11.583 3.023 3.023 225 HA VAL 30 HA VAL 30 -13.047 4.140 4.140 226 HB VAL 30 HB VAL 30 -12.488 2.510 2.510 227 1HG1 VAL 30 2HG1 VAL 30 -14.410 4.380 4.380 228 2HG1 VAL 30 3HG1 VAL 30 -15.248 2.828 2.828 229 3HG1 VAL 30 1HG1 VAL 30 -14.521 3.208 3.208 230 1HG2 VAL 30 3HG2 VAL 30 -13.477 1.468 1.468 231 2HG2 VAL 30 1HG2 VAL 30 -12.497 0.670 0.670 232 3HG2 VAL 30 2HG2 VAL 30 -14.249 0.876 0.876 233 H LYS 31 H LYS 31 -10.623 3.176 3.176 234 HA LYS 31 HA LYS 31 -10.455 5.825 5.825 235 1HB LYS 31 2HB LYS 31 -9.521 3.198 3.198 236 2HB LYS 31 1HB LYS 31 -8.192 4.336 4.336 237 1HG LYS 31 2HG LYS 31 -9.549 5.850 5.850 238 2HG LYS 31 1HG LYS 31 -10.943 4.800 4.800 239 1HD LYS 31 2HD LYS 31 -8.481 3.431 3.431 240 2HD LYS 31 1HD LYS 31 -9.108 4.654 4.654 241 1HE LYS 31 2HE LYS 31 -10.790 2.396 2.396 242 2HE LYS 31 1HE LYS 31 -10.065 2.347 2.347 243 1HZ LYS 31 1HZ LYS 31 -12.360 3.138 3.138 244 2HZ LYS 31 2HZ LYS 31 -11.364 4.335 4.335 245 H LYS 32 H LYS 32 -10.125 6.865 6.865 246 HA LYS 32 HA LYS 32 -8.044 6.521 6.521 247 1HB LYS 32 2HB LYS 32 -9.824 8.156 8.156 248 2HB LYS 32 1HB LYS 32 -9.213 9.145 9.145 249 1HG LYS 32 2HG LYS 32 -7.331 9.850 9.850 250 2HG LYS 32 1HG LYS 32 -7.300 8.412 8.412 251 1HD LYS 32 2HD LYS 32 -8.041 10.415 10.415 252 2HD LYS 32 1HD LYS 32 -9.279 9.175 9.175 253 1HE LYS 32 2HE LYS 32 -10.721 10.456 10.456 254 2HE LYS 32 1HE LYS 32 -9.439 11.103 11.103 255 1HZ LYS 32 1HZ LYS 32 -10.648 12.596 12.596 256 2HZ LYS 32 2HZ LYS 32 -9.068 12.821 12.821 257 H CYS 33 H CYS 33 -5.887 7.421 7.421 258 HA CYS 33 HA CYS 33 -4.392 7.112 7.112 259 1HB CYS 33 2HB CYS 33 -3.466 8.536 8.536 260 2HB CYS 33 1HB CYS 33 -2.491 7.687 7.687 261 HA PRO 34 HA PRO 34 -4.623 11.154 11.154 262 1HB PRO 34 2HB PRO 34 -2.401 11.210 11.210 263 2HB PRO 34 1HB PRO 34 -3.904 10.449 10.449 264 1HG PRO 34 2HG PRO 34 -1.385 9.181 9.181 265 2HG PRO 34 1HG PRO 34 -2.726 8.467 8.467 266 1HD PRO 34 2HD PRO 34 -2.128 8.145 8.145 267 2HD PRO 34 1HD PRO 34 -3.530 7.526 7.526 268 H ARG 35 H ARG 35 -1.491 10.250 10.250 269 HA ARG 35 HA ARG 35 -1.445 12.274 12.274 270 1HB ARG 35 2HB ARG 35 0.429 13.714 13.714 271 2HB ARG 35 1HB ARG 35 -1.253 14.035 14.035 272 1HG ARG 35 2HG ARG 35 -0.987 13.422 13.422 273 2HG ARG 35 1HG ARG 35 -0.214 11.914 11.914 274 1HD ARG 35 2HD ARG 35 1.962 12.904 12.904 275 2HD ARG 35 1HD ARG 35 1.320 14.531 14.531 276 HE ARG 35 HE ARG 35 0.342 13.781 13.781 277 1HH1 ARG 35 2HH2 ARG 35 3.590 13.420 13.420 278 2HH1 ARG 35 1HH2 ARG 35 4.381 13.488 13.488 279 HH2 ARG 35 1HH ARG 35 3.065 13.754 13.754 280 H ASP 36 H ASP 36 0.540 12.205 12.205 281 HA ASP 36 HA ASP 36 1.758 9.889 9.889 282 1HB ASP 36 2HB ASP 36 2.140 11.739 11.739 283 2HB ASP 36 1HB ASP 36 2.971 12.669 12.669 284 HD2 ASP 36 2HD ASP 36 5.042 10.592 10.592 285 H GLY 37 H GLY 37 3.653 8.815 8.815 286 1HA GLY 37 1HA GLY 37 5.534 8.624 8.624 287 2HA GLY 37 2HA GLY 37 5.166 10.151 10.151 288 H ALA 38 H ALA 38 2.251 9.374 9.374 289 HA ALA 38 HA ALA 38 2.269 8.597 8.597 290 1HB ALA 38 2HB ALA 38 0.271 7.855 7.855 291 2HB ALA 38 3HB ALA 38 -0.049 7.754 7.754 292 3HB ALA 38 1HB ALA 38 0.269 9.333 9.333 293 H LYS 39 H LYS 39 3.207 6.918 6.918 294 HA LYS 39 HA LYS 39 4.069 4.622 4.622 295 1HB LYS 39 2HB LYS 39 5.172 5.573 5.573 296 2HB LYS 39 1HB LYS 39 3.793 5.114 5.114 297 1HG LYS 39 2HG LYS 39 4.881 2.899 2.899 298 2HG LYS 39 1HG LYS 39 6.011 3.515 3.515 299 1HD LYS 39 2HD LYS 39 3.643 3.363 3.363 300 2HD LYS 39 1HD LYS 39 3.506 1.978 1.978 301 1HE LYS 39 2HE LYS 39 4.787 0.921 0.921 302 2HE LYS 39 1HE LYS 39 6.127 1.718 1.718 303 1HZ LYS 39 1HZ LYS 39 6.104 3.443 3.443 304 2HZ LYS 39 2HZ LYS 39 4.652 3.016 3.016 305 H CYS 40 H CYS 40 3.284 2.472 2.472 306 HA CYS 40 HA CYS 40 0.795 1.954 1.954 307 1HB CYS 40 2HB CYS 40 -0.357 2.776 2.776 308 2HB CYS 40 1HB CYS 40 0.930 2.448 2.448 309 H GLU 41 H GLU 41 0.245 -0.435 -0.435 310 HA GLU 41 HA GLU 41 2.615 -1.934 -1.934 311 1HB GLU 41 2HB GLU 41 1.842 -3.542 -3.542 312 2HB GLU 41 1HB GLU 41 2.778 -2.112 -2.112 313 1HG GLU 41 2HG GLU 41 0.553 -0.882 -0.882 314 2HG GLU 41 1HG GLU 41 -0.249 -2.433 -2.433 315 HE2 GLU 41 2HE GLU 41 -0.355 -3.576 -3.576 316 H PHE 42 H PHE 42 2.223 -4.039 -4.039 317 HA PHE 42 HA PHE 42 -0.526 -4.310 -4.310 318 1HB PHE 42 2HB PHE 42 1.278 -4.129 -4.129 319 2HB PHE 42 1HB PHE 42 2.233 -5.344 -5.344 320 HD1 PHE 42 2HD PHE 42 -1.074 -4.935 -4.935 321 HD2 PHE 42 1HD PHE 42 2.145 -7.537 -7.537 322 HE1 PHE 42 2HE PHE 42 -2.097 -6.719 -6.719 323 HE2 PHE 42 1HE PHE 42 1.122 -9.321 -9.321 324 HZ PHE 42 HZ PHE 42 -0.986 -8.890 -8.890 325 H ASP 43 H ASP 43 -1.752 -5.686 -5.686 326 HA ASP 43 HA ASP 43 -0.536 -7.644 -7.644 327 1HB ASP 43 2HB ASP 43 -3.022 -6.369 -6.369 328 2HB ASP 43 1HB ASP 43 -3.411 -8.007 -8.007 329 HD2 ASP 43 2HD ASP 43 -3.356 -7.388 -7.388 330 H SER 44 H SER 44 -0.342 -9.904 -9.904 331 HA SER 44 HA SER 44 -0.877 -10.658 -10.658 332 1HB SER 44 2HB SER 44 0.716 -12.381 -12.381 333 2HB SER 44 1HB SER 44 1.365 -11.049 -11.049 334 HG SER 44 HG SER 44 0.587 -13.553 -13.553 335 H TYR 45 H TYR 45 -2.182 -10.965 -10.965 336 HA TYR 45 HA TYR 45 -3.416 -13.514 -13.514 337 1HB TYR 45 2HB TYR 45 -4.126 -13.045 -13.045 338 2HB TYR 45 1HB TYR 45 -2.738 -11.981 -11.981 339 HD1 TYR 45 HD1 TYR 45 -3.839 -9.762 -9.762 340 HD2 TYR 45 HD2 TYR 45 -5.585 -11.943 -11.943 341 HE1 TYR 45 HE1 TYR 45 -5.327 -7.773 -7.773 342 HE2 TYR 45 HE2 TYR 45 -7.067 -9.947 -9.947 343 HH TYR 45 HH TYR 45 -7.118 -7.125 -7.125 344 H LYS 46 H LYS 46 -3.982 -10.443 -10.443 345 HA LYS 46 HA LYS 46 -6.572 -11.313 -11.313 346 1HB LYS 46 2HB LYS 46 -6.267 -8.819 -8.819 347 2HB LYS 46 1HB LYS 46 -7.651 -9.138 -9.138 348 1HG LYS 46 2HG LYS 46 -7.744 -11.457 -11.457 349 2HG LYS 46 1HG LYS 46 -6.743 -10.654 -10.654 350 1HD LYS 46 2HD LYS 46 -8.417 -9.036 -9.036 351 2HD LYS 46 1HD LYS 46 -9.285 -9.322 -9.322 352 1HE LYS 46 2HE LYS 46 -9.772 -11.695 -11.695 353 2HE LYS 46 1HE LYS 46 -9.103 -11.203 -11.203 354 1HZ LYS 46 1HZ LYS 46 -11.470 -10.852 -10.852 355 2HZ LYS 46 2HZ LYS 46 -10.786 -9.374 -9.374 356 H GLY 47 H GLY 47 -4.528 -8.310 -8.310 357 1HA GLY 47 1HA GLY 47 -3.283 -7.404 -7.404 358 2HA GLY 47 2HA GLY 47 -4.094 -8.440 -8.440 359 H LYS 48 H LYS 48 -4.849 -5.763 -5.763 360 HA LYS 48 HA LYS 48 -6.690 -4.717 -4.717 361 1HB LYS 48 2HB LYS 48 -6.921 -4.807 -4.807 362 2HB LYS 48 1HB LYS 48 -7.815 -3.638 -3.638 363 1HG LYS 48 2HG LYS 48 -7.891 -6.584 -6.584 364 2HG LYS 48 1HG LYS 48 -8.923 -5.964 -5.964 365 1HD LYS 48 2HD LYS 48 -9.809 -4.232 -4.232 366 2HD LYS 48 1HD LYS 48 -8.852 -4.978 -4.978 367 1HE LYS 48 2HE LYS 48 -10.748 -6.220 -6.220 368 2HE LYS 48 1HE LYS 48 -10.143 -7.195 -7.195 369 1HZ LYS 48 1HZ LYS 48 -11.837 -4.852 -4.852 370 2HZ LYS 48 2HZ LYS 48 -12.534 -6.255 -6.255 371 H CYS 49 H CYS 49 -3.640 -4.398 -4.398 372 HA CYS 49 HA CYS 49 -2.185 -2.757 -2.757 373 1HB CYS 49 2HB CYS 49 -2.758 -0.700 -0.700 374 2HB CYS 49 1HB CYS 49 -2.267 -2.248 -2.248 375 H TYR 50 H TYR 50 -2.871 -2.500 -2.500 376 HA TYR 50 HA TYR 50 -4.844 -0.721 -0.721 377 1HB TYR 50 2HB TYR 50 -2.239 -1.909 -1.909 378 2HB TYR 50 1HB TYR 50 -3.020 -0.676 -0.676 379 HD1 TYR 50 HD2 TYR 50 -3.732 -3.948 -3.948 380 HD2 TYR 50 HD1 TYR 50 -4.684 -1.282 -1.282 381 HE1 TYR 50 HE2 TYR 50 -5.260 -5.707 -5.707 382 HE2 TYR 50 HE1 TYR 50 -6.208 -3.049 -3.049 383 HH TYR 50 HH TYR 50 -6.605 -5.305 -5.305 384 H CYS 51 H CYS 51 -4.737 1.207 1.207 385 HA CYS 51 HA CYS 51 -2.314 2.768 2.768 386 1HB CYS 51 2HB CYS 51 -4.864 3.552 3.552 387 2HB CYS 51 1HB CYS 51 -3.259 4.218 4.218 Start of MODEL 5 1 H ALA 1 H ALA 1 3.581 -11.576 -11.576 2 HA ALA 1 HA ALA 1 5.055 -10.949 -10.949 3 1HB ALA 1 1HB ALA 1 2.435 -12.365 -12.365 4 2HB ALA 1 2HB ALA 1 3.285 -11.977 -11.977 5 3HB ALA 1 3HB ALA 1 4.089 -12.965 -12.965 6 H THR 2 H THR 2 2.893 -8.701 -8.701 7 HA THR 2 HA THR 2 2.069 -7.600 -7.600 8 HB THR 2 HB THR 2 2.404 -6.106 -6.106 9 HG1 THR 2 1HG THR 2 0.197 -7.204 -7.204 10 1HG2 THR 2 3HG2 THR 2 0.605 -5.997 -5.997 11 2HG2 THR 2 1HG2 THR 2 -0.113 -5.613 -5.613 12 3HG2 THR 2 2HG2 THR 2 1.261 -4.659 -4.659 13 H TYR 3 H TYR 3 2.942 -6.041 -6.041 14 HA TYR 3 HA TYR 3 5.787 -5.601 -5.601 15 1HB TYR 3 2HB TYR 3 3.843 -4.798 -4.798 16 2HB TYR 3 1HB TYR 3 5.589 -4.859 -4.859 17 HD1 TYR 3 HD2 TYR 3 5.213 -7.622 -7.622 18 HD2 TYR 3 HD1 TYR 3 4.051 -6.221 -6.221 19 HE1 TYR 3 HE2 TYR 3 5.064 -10.020 -10.020 20 HE2 TYR 3 HE1 TYR 3 3.905 -8.625 -8.625 21 HH TYR 3 HH TYR 3 3.819 -10.741 -10.741 22 H ASN 4 H ASN 4 6.445 -3.267 -3.267 23 HA ASN 4 HA ASN 4 4.659 -1.288 -1.288 24 1HB ASN 4 2HB ASN 4 7.616 -1.672 -1.672 25 2HB ASN 4 1HB ASN 4 6.834 -0.119 -0.119 26 1HD2 ASN 4 2HD2 ASN 4 5.678 -3.386 -3.386 27 2HD2 ASN 4 1HD2 ASN 4 6.321 -3.574 -3.574 28 H GLY 5 H GLY 5 4.671 0.663 0.663 29 1HA GLY 5 1HA GLY 5 6.834 1.250 1.250 30 2HA GLY 5 2HA GLY 5 5.378 0.693 0.693 31 H LYS 6 H LYS 6 4.603 2.580 2.580 32 HA LYS 6 HA LYS 6 3.584 4.551 4.551 33 1HB LYS 6 2HB LYS 6 5.337 5.455 5.455 34 2HB LYS 6 1HB LYS 6 4.625 6.438 6.438 35 1HG LYS 6 2HG LYS 6 5.997 5.220 5.220 36 2HG LYS 6 1HG LYS 6 6.720 4.257 4.257 37 1HD LYS 6 2HD LYS 6 7.602 6.353 6.353 38 2HD LYS 6 1HD LYS 6 6.904 7.298 7.298 39 1HE LYS 6 2HE LYS 6 8.336 5.432 5.432 40 2HE LYS 6 1HE LYS 6 9.335 5.566 5.566 41 1HZ LYS 6 1HZ LYS 6 10.044 7.560 7.560 42 2HZ LYS 6 2HZ LYS 6 8.532 8.150 8.150 43 H CYS 7 H CYS 7 1.949 5.962 5.962 44 HA CYS 7 HA CYS 7 0.958 4.777 4.777 45 1HB CYS 7 2HB CYS 7 -1.333 5.605 5.605 46 2HB CYS 7 1HB CYS 7 -0.737 3.957 3.957 47 H TYR 8 H TYR 8 -0.355 6.343 6.343 48 HA TYR 8 HA TYR 8 0.547 9.087 9.087 49 1HB TYR 8 2HB TYR 8 -0.421 7.499 7.499 50 2HB TYR 8 1HB TYR 8 -0.084 9.217 9.217 51 HD1 TYR 8 HD1 TYR 8 2.390 9.105 9.105 52 HD2 TYR 8 HD2 TYR 8 1.220 6.815 6.815 53 HE1 TYR 8 HE1 TYR 8 4.830 8.602 8.602 54 HE2 TYR 8 HE2 TYR 8 3.663 6.319 6.319 55 HH TYR 8 HH TYR 8 5.840 7.370 7.370 56 H LYS 9 H LYS 9 -1.028 10.807 10.807 57 HA LYS 9 HA LYS 9 -3.640 10.191 10.191 58 1HB LYS 9 2HB LYS 9 -1.918 12.475 12.475 59 2HB LYS 9 1HB LYS 9 -3.404 12.911 12.911 60 1HG LYS 9 2HG LYS 9 -4.568 11.674 11.674 61 2HG LYS 9 1HG LYS 9 -3.027 11.931 11.931 62 1HD LYS 9 2HD LYS 9 -3.347 14.199 14.199 63 2HD LYS 9 1HD LYS 9 -4.059 14.336 14.336 64 1HE LYS 9 2HE LYS 9 -6.229 13.680 13.680 65 2HE LYS 9 1HE LYS 9 -5.592 13.007 13.007 66 1HZ LYS 9 1HZ LYS 9 -4.796 15.533 15.533 67 2HZ LYS 9 2HZ LYS 9 -6.126 15.795 15.795 68 H LYS 10 H LYS 10 -2.486 12.110 12.110 69 HA LYS 10 HA LYS 10 -4.767 12.112 12.112 70 1HB LYS 10 2HB LYS 10 -2.343 13.044 13.044 71 2HB LYS 10 1HB LYS 10 -2.184 11.596 11.596 72 1HG LYS 10 2HG LYS 10 -4.682 12.490 12.490 73 2HG LYS 10 1HG LYS 10 -3.870 14.008 14.008 74 1HD LYS 10 2HD LYS 10 -2.112 12.174 12.174 75 2HD LYS 10 1HD LYS 10 -3.619 12.423 12.423 76 1HE LYS 10 2HE LYS 10 -3.045 15.009 15.009 77 2HE LYS 10 1HE LYS 10 -1.427 14.363 14.363 78 1HZ LYS 10 1HZ LYS 10 -2.705 15.313 15.313 79 2HZ LYS 10 2HZ LYS 10 -1.775 13.989 13.989 80 H ASP 11 H ASP 11 -2.182 9.727 9.727 81 HA ASP 11 HA ASP 11 -3.914 8.086 8.086 82 1HB ASP 11 2HB ASP 11 -1.158 7.928 7.928 83 2HB ASP 11 1HB ASP 11 -1.932 6.364 6.364 84 HD1 ASP 11 2HD ASP 11 -2.642 8.350 8.350 85 H ASN 12 H ASN 12 -3.486 8.641 8.641 86 HA ASN 12 HA ASN 12 -3.992 7.525 7.525 87 1HB ASN 12 2HB ASN 12 -6.214 8.370 8.370 88 2HB ASN 12 1HB ASN 12 -6.475 6.807 6.807 89 1HD2 ASN 12 2HD2 ASN 12 -8.284 5.946 5.946 90 2HD2 ASN 12 1HD2 ASN 12 -8.288 6.340 6.340 91 H ILE 13 H ILE 13 -2.196 5.864 5.864 92 HA ILE 13 HA ILE 13 -3.465 3.223 3.223 93 HB ILE 13 HB ILE 13 -1.723 2.466 2.466 94 1HG1 ILE 13 2HG1 ILE 13 -0.573 4.201 4.201 95 2HG1 ILE 13 3HG1 ILE 13 -1.125 5.427 5.427 96 1HG2 ILE 13 2HG2 ILE 13 -4.101 3.942 3.942 97 2HG2 ILE 13 3HG2 ILE 13 -2.907 4.362 4.362 98 3HG2 ILE 13 1HG2 ILE 13 -3.346 2.659 2.659 99 1HD1 ILE 13 1HD1 ILE 13 0.275 3.037 3.037 100 2HD1 ILE 13 2HD1 ILE 13 1.262 4.221 4.221 101 3HD1 ILE 13 3HD1 ILE 13 0.309 4.739 4.739 102 H CYS 14 H CYS 14 -1.743 1.482 1.482 103 HA CYS 14 HA CYS 14 -0.068 2.642 2.642 104 1HB CYS 14 2HB CYS 14 -1.918 0.357 0.357 105 2HB CYS 14 1HB CYS 14 -0.352 -0.004 -0.004 106 H LYS 15 H LYS 15 2.042 2.664 2.664 107 HA LYS 15 HA LYS 15 2.884 0.433 0.433 108 1HB LYS 15 2HB LYS 15 4.296 1.856 1.856 109 2HB LYS 15 1HB LYS 15 2.960 2.930 2.930 110 1HG LYS 15 2HG LYS 15 4.270 3.539 3.539 111 2HG LYS 15 1HG LYS 15 5.642 2.746 2.746 112 1HD LYS 15 2HD LYS 15 4.180 4.735 4.735 113 2HD LYS 15 1HD LYS 15 5.069 5.393 5.393 114 1HE LYS 15 2HE LYS 15 7.028 5.141 5.141 115 2HE LYS 15 1HE LYS 15 6.748 3.418 3.418 116 1HZ LYS 15 1HZ LYS 15 6.909 4.461 4.461 117 2HZ LYS 15 2HZ LYS 15 5.393 3.897 3.897 118 H TYR 16 H TYR 16 4.383 -0.994 -0.994 119 HA TYR 16 HA TYR 16 6.247 -0.222 -0.222 120 1HB TYR 16 2HB TYR 16 5.320 -2.072 -2.072 121 2HB TYR 16 1HB TYR 16 4.270 -0.676 -0.676 122 HD1 TYR 16 HD1 TYR 16 2.497 -0.863 -0.863 123 HD2 TYR 16 HD2 TYR 16 4.352 -4.172 -4.172 124 HE1 TYR 16 HE1 TYR 16 0.592 -2.379 -2.379 125 HE2 TYR 16 HE2 TYR 16 2.442 -5.676 -5.676 126 HH TYR 16 HH TYR 16 0.729 -5.843 -5.843 127 H LYS 17 H LYS 17 7.809 -1.980 -1.980 128 HA LYS 17 HA LYS 17 8.126 -3.625 -3.625 129 1HB LYS 17 2HB LYS 17 9.930 -2.158 -2.158 130 2HB LYS 17 1HB LYS 17 10.046 -3.479 -3.479 131 1HG LYS 17 2HG LYS 17 10.155 -4.939 -4.939 132 2HG LYS 17 1HG LYS 17 10.764 -3.429 -3.429 133 1HD LYS 17 2HD LYS 17 12.705 -4.613 -4.613 134 2HD LYS 17 1HD LYS 17 12.428 -3.386 -3.386 135 1HE LYS 17 2HE LYS 17 12.243 -4.984 -4.984 136 2HE LYS 17 1HE LYS 17 10.884 -5.699 -5.699 137 1HZ LYS 17 1HZ LYS 17 12.678 -6.781 -6.781 138 2HZ LYS 17 2HZ LYS 17 13.744 -6.378 -6.378 139 H ALA 18 H ALA 18 6.939 -5.472 -5.472 140 HA ALA 18 HA ALA 18 5.863 -6.757 -6.757 141 1HB ALA 18 3HB ALA 18 5.592 -7.093 -7.093 142 2HB ALA 18 1HB ALA 18 6.923 -8.262 -8.262 143 3HB ALA 18 2HB ALA 18 5.404 -8.507 -8.507 144 H GLN 19 H GLN 19 6.453 -8.920 -8.920 145 HA GLN 19 HA GLN 19 8.919 -8.722 -8.722 146 1HB GLN 19 2HB GLN 19 6.954 -9.929 -9.929 147 2HB GLN 19 1HB GLN 19 7.115 -11.165 -11.165 148 1HG GLN 19 2HG GLN 19 9.324 -11.817 -11.817 149 2HG GLN 19 1HG GLN 19 9.337 -10.472 -10.472 150 1HE2 GLN 19 2HE2 GLN 19 8.389 -13.013 -13.013 151 2HE2 GLN 19 1HE2 GLN 19 9.721 -12.165 -12.165 152 H SER 20 H SER 20 7.928 -10.168 -10.168 153 HA SER 20 HA SER 20 10.638 -11.218 -11.218 154 1HB SER 20 2HB SER 20 9.270 -12.649 -12.649 155 2HB SER 20 1HB SER 20 9.558 -13.216 -13.216 156 HG SER 20 HG SER 20 7.231 -11.646 -11.646 157 H GLY 21 H GLY 21 8.905 -8.610 -8.610 158 1HA GLY 21 1HA GLY 21 9.204 -7.004 -7.004 159 2HA GLY 21 2HA GLY 21 10.343 -8.036 -8.036 160 H LYS 22 H LYS 22 7.501 -9.818 -9.818 161 HA LYS 22 HA LYS 22 6.831 -9.842 -9.842 162 1HB LYS 22 2HB LYS 22 6.676 -11.780 -11.780 163 2HB LYS 22 1HB LYS 22 5.284 -11.005 -11.005 164 1HG LYS 22 2HG LYS 22 4.274 -10.910 -10.910 165 2HG LYS 22 1HG LYS 22 5.560 -12.002 -12.002 166 1HD LYS 22 2HD LYS 22 4.620 -13.270 -13.270 167 2HD LYS 22 1HD LYS 22 3.147 -12.527 -12.527 168 1HE LYS 22 2HE LYS 22 3.263 -14.691 -14.691 169 2HE LYS 22 1HE LYS 22 3.664 -13.529 -13.529 170 1HZ LYS 22 1HZ LYS 22 6.005 -14.342 -14.342 171 2HZ LYS 22 2HZ LYS 22 5.235 -15.643 -15.643 172 H THR 23 H THR 23 4.878 -8.900 -8.900 173 HA THR 23 HA THR 23 2.823 -7.699 -7.699 174 HB THR 23 HB THR 23 3.594 -8.155 -8.155 175 HG1 THR 23 1HG THR 23 1.367 -7.691 -7.691 176 1HG2 THR 23 3HG2 THR 23 4.393 -5.552 -5.552 177 2HG2 THR 23 1HG2 THR 23 2.667 -5.308 -5.308 178 3HG2 THR 23 2HG2 THR 23 3.713 -6.140 -6.140 179 H ALA 24 H ALA 24 2.457 -5.099 -5.099 180 HA ALA 24 HA ALA 24 4.597 -3.390 -3.390 181 1HB ALA 24 3HB ALA 24 4.116 -4.781 -4.781 182 2HB ALA 24 1HB ALA 24 3.218 -3.262 -3.262 183 3HB ALA 24 2HB ALA 24 4.959 -3.219 -3.219 184 H ILE 25 H ILE 25 3.111 -1.496 -1.496 185 HA ILE 25 HA ILE 25 1.665 -0.156 -0.156 186 HB ILE 25 HB ILE 25 1.094 -0.061 -0.061 187 1HG1 ILE 25 2HG1 ILE 25 3.546 0.757 0.757 188 2HG1 ILE 25 3HG1 ILE 25 3.399 0.034 0.034 189 1HG2 ILE 25 2HG2 ILE 25 -0.106 1.310 1.310 190 2HG2 ILE 25 3HG2 ILE 25 1.282 2.379 2.379 191 3HG2 ILE 25 1HG2 ILE 25 0.163 1.966 1.966 192 1HD1 ILE 25 3HD1 ILE 25 2.195 2.280 2.280 193 2HD1 ILE 25 1HD1 ILE 25 2.962 2.919 2.919 194 3HD1 ILE 25 2HD1 ILE 25 3.967 2.265 2.265 195 H CYS 26 H CYS 26 -0.478 -0.069 -0.069 196 HA CYS 26 HA CYS 26 -2.350 -1.862 -1.862 197 1HB CYS 26 2HB CYS 26 -1.064 -3.037 -3.037 198 2HB CYS 26 1HB CYS 26 -2.049 -2.043 -2.043 199 H LYS 27 H LYS 27 -4.012 -0.455 -0.455 200 HA LYS 27 HA LYS 27 -4.386 2.030 2.030 201 1HB LYS 27 2HB LYS 27 -5.742 1.040 1.040 202 2HB LYS 27 1HB LYS 27 -6.498 -0.058 -0.058 203 1HG LYS 27 2HG LYS 27 -7.601 1.777 1.777 204 2HG LYS 27 1HG LYS 27 -6.677 2.974 2.974 205 1HD LYS 27 2HD LYS 27 -9.086 2.565 2.565 206 2HD LYS 27 1HD LYS 27 -7.837 2.542 2.542 207 1HE LYS 27 2HE LYS 27 -7.988 0.234 0.234 208 2HE LYS 27 1HE LYS 27 -8.484 -0.080 -0.080 209 1HZ LYS 27 1HZ LYS 27 -10.285 -0.309 -0.309 210 2HZ LYS 27 2HZ LYS 27 -10.679 0.678 0.678 211 H CYS 28 H CYS 28 -5.752 3.103 3.103 212 HA CYS 28 HA CYS 28 -5.495 1.727 1.727 213 1HB CYS 28 2HB CYS 28 -5.592 4.512 4.512 214 2HB CYS 28 1HB CYS 28 -6.561 4.219 4.219 215 H TYR 29 H TYR 29 -7.213 0.140 0.140 216 HA TYR 29 HA TYR 29 -9.861 1.044 1.044 217 1HB TYR 29 2HB TYR 29 -9.336 -1.198 -1.198 218 2HB TYR 29 1HB TYR 29 -8.335 -1.474 -1.474 219 HD1 TYR 29 HD2 TYR 29 -11.949 -0.686 -0.686 220 HD2 TYR 29 HD1 TYR 29 -9.132 -3.054 -3.054 221 HE1 TYR 29 HE2 TYR 29 -13.857 -1.943 -1.943 222 HE2 TYR 29 HE1 TYR 29 -11.049 -4.303 -4.303 223 HH TYR 29 HH TYR 29 -13.202 -4.668 -4.668 224 H VAL 30 H VAL 30 -8.045 1.633 1.633 225 HA VAL 30 HA VAL 30 -10.315 1.198 1.198 226 HB VAL 30 HB VAL 30 -7.494 1.615 1.615 227 1HG1 VAL 30 3HG1 VAL 30 -9.968 1.193 1.193 228 2HG1 VAL 30 1HG1 VAL 30 -9.095 -0.351 -0.351 229 3HG1 VAL 30 2HG1 VAL 30 -8.354 1.153 1.153 230 1HG2 VAL 30 2HG2 VAL 30 -7.383 -0.178 -0.178 231 2HG2 VAL 30 3HG2 VAL 30 -7.062 -0.783 -0.783 232 3HG2 VAL 30 1HG2 VAL 30 -8.644 -1.074 -1.074 233 H LYS 31 H LYS 31 -8.518 2.995 2.995 234 HA LYS 31 HA LYS 31 -9.926 5.372 5.372 235 1HB LYS 31 2HB LYS 31 -9.075 4.441 4.441 236 2HB LYS 31 1HB LYS 31 -7.529 5.143 5.143 237 1HG LYS 31 2HG LYS 31 -8.331 7.345 7.345 238 2HG LYS 31 1HG LYS 31 -9.979 6.881 6.881 239 1HD LYS 31 2HD LYS 31 -10.509 6.676 6.676 240 2HD LYS 31 1HD LYS 31 -9.142 5.620 5.620 241 1HE LYS 31 2HE LYS 31 -8.261 8.392 8.392 242 2HE LYS 31 1HE LYS 31 -9.435 8.293 8.293 243 1HZ LYS 31 1HZ LYS 31 -7.861 7.388 7.388 244 2HZ LYS 31 2HZ LYS 31 -7.603 6.160 6.160 245 H LYS 32 H LYS 32 -9.508 6.850 6.850 246 HA LYS 32 HA LYS 32 -7.518 6.759 6.759 247 1HB LYS 32 2HB LYS 32 -9.593 8.273 8.273 248 2HB LYS 32 1HB LYS 32 -8.584 9.389 9.389 249 1HG LYS 32 2HG LYS 32 -7.092 8.517 8.517 250 2HG LYS 32 1HG LYS 32 -8.693 8.981 8.981 251 1HD LYS 32 2HD LYS 32 -6.695 10.679 10.679 252 2HD LYS 32 1HD LYS 32 -7.324 10.975 10.975 253 1HE LYS 32 2HE LYS 32 -9.655 10.832 10.832 254 2HE LYS 32 1HE LYS 32 -8.529 11.597 11.597 255 1HZ LYS 32 1HZ LYS 32 -8.128 12.840 12.840 256 2HZ LYS 32 2HZ LYS 32 -9.746 12.711 12.711 257 H CYS 33 H CYS 33 -5.497 7.944 7.944 258 HA CYS 33 HA CYS 33 -3.888 7.807 7.807 259 1HB CYS 33 2HB CYS 33 -3.325 7.368 7.368 260 2HB CYS 33 1HB CYS 33 -2.969 9.084 9.084 261 HA PRO 34 HA PRO 34 -4.401 11.983 11.983 262 1HB PRO 34 2HB PRO 34 -2.335 12.232 12.232 263 2HB PRO 34 1HB PRO 34 -3.875 11.511 11.511 264 1HG PRO 34 2HG PRO 34 -1.284 10.183 10.183 265 2HG PRO 34 1HG PRO 34 -2.699 9.551 9.551 266 1HD PRO 34 2HD PRO 34 -1.846 8.941 8.941 267 2HD PRO 34 1HD PRO 34 -3.320 8.401 8.401 268 H ARG 35 H ARG 35 -1.375 10.870 10.870 269 HA ARG 35 HA ARG 35 -1.169 12.880 12.880 270 1HB ARG 35 2HB ARG 35 0.875 14.122 14.122 271 2HB ARG 35 1HB ARG 35 -0.764 14.632 14.632 272 1HG ARG 35 2HG ARG 35 -0.570 14.049 14.049 273 2HG ARG 35 1HG ARG 35 -0.007 12.442 12.442 274 1HD ARG 35 2HD ARG 35 2.277 13.108 13.108 275 2HD ARG 35 1HD ARG 35 1.883 14.801 14.801 276 HE ARG 35 HE ARG 35 1.460 15.012 15.012 277 1HH1 ARG 35 2HH2 ARG 35 2.068 11.628 11.628 278 2HH1 ARG 35 1HH2 ARG 35 2.260 11.118 11.118 279 HH2 ARG 35 1HH ARG 35 2.048 12.730 12.730 280 H ASP 36 H ASP 36 0.623 12.468 12.468 281 HA ASP 36 HA ASP 36 1.663 10.091 10.091 282 1HB ASP 36 2HB ASP 36 2.285 11.541 11.541 283 2HB ASP 36 1HB ASP 36 2.785 12.810 12.810 284 HD1 ASP 36 2HD ASP 36 5.799 10.928 10.928 285 H GLY 37 H GLY 37 3.368 8.827 8.827 286 1HA GLY 37 1HA GLY 37 5.373 8.588 8.588 287 2HA GLY 37 2HA GLY 37 5.083 10.115 10.115 288 H ALA 38 H ALA 38 2.144 9.435 9.435 289 HA ALA 38 HA ALA 38 2.181 8.625 8.625 290 1HB ALA 38 1HB ALA 38 0.265 9.103 9.103 291 2HB ALA 38 2HB ALA 38 -0.069 7.432 7.432 292 3HB ALA 38 3HB ALA 38 -0.058 8.746 8.746 293 H LYS 39 H LYS 39 2.967 6.876 6.876 294 HA LYS 39 HA LYS 39 3.843 4.603 4.603 295 1HB LYS 39 2HB LYS 39 4.766 5.516 5.516 296 2HB LYS 39 1HB LYS 39 3.347 4.901 4.901 297 1HG LYS 39 2HG LYS 39 3.886 2.590 2.590 298 2HG LYS 39 1HG LYS 39 5.337 3.226 3.226 299 1HD LYS 39 2HD LYS 39 6.229 2.499 2.499 300 2HD LYS 39 1HD LYS 39 5.839 4.153 4.153 301 1HE LYS 39 2HE LYS 39 4.701 3.200 3.200 302 2HE LYS 39 1HE LYS 39 3.439 2.934 2.934 303 1HZ LYS 39 1HZ LYS 39 3.956 0.859 0.859 304 2HZ LYS 39 2HZ LYS 39 4.469 0.729 0.729 305 H CYS 40 H CYS 40 3.048 2.410 2.410 306 HA CYS 40 HA CYS 40 0.386 2.019 2.019 307 1HB CYS 40 2HB CYS 40 -0.330 1.084 1.084 308 2HB CYS 40 1HB CYS 40 -0.425 2.810 2.810 309 H GLU 41 H GLU 41 -0.129 -0.320 -0.320 310 HA GLU 41 HA GLU 41 2.241 -1.945 -1.945 311 1HB GLU 41 2HB GLU 41 0.404 -2.876 -2.876 312 2HB GLU 41 1HB GLU 41 2.155 -2.881 -2.881 313 1HG GLU 41 2HG GLU 41 0.358 -0.486 -0.486 314 2HG GLU 41 1HG GLU 41 1.406 -1.311 -1.311 315 HE1 GLU 41 2HE GLU 41 3.898 -1.112 -1.112 316 H PHE 42 H PHE 42 1.918 -3.771 -3.771 317 HA PHE 42 HA PHE 42 -0.805 -4.217 -4.217 318 1HB PHE 42 2HB PHE 42 1.063 -3.993 -3.993 319 2HB PHE 42 1HB PHE 42 1.995 -5.212 -5.212 320 HD1 PHE 42 2HD PHE 42 -1.280 -4.812 -4.812 321 HD2 PHE 42 1HD PHE 42 1.957 -7.385 -7.385 322 HE1 PHE 42 2HE PHE 42 -2.251 -6.587 -6.587 323 HE2 PHE 42 1HE PHE 42 0.985 -9.159 -9.159 324 HZ PHE 42 HZ PHE 42 -1.107 -8.739 -8.739 325 H ASP 43 H ASP 43 -1.948 -5.477 -5.477 326 HA ASP 43 HA ASP 43 -0.767 -7.414 -7.414 327 1HB ASP 43 2HB ASP 43 -3.322 -6.269 -6.269 328 2HB ASP 43 1HB ASP 43 -3.577 -7.966 -7.966 329 HD2 ASP 43 2HD ASP 43 -4.459 -8.759 -8.759 330 H SER 44 H SER 44 -0.264 -9.590 -9.590 331 HA SER 44 HA SER 44 -0.867 -10.486 -10.486 332 1HB SER 44 2HB SER 44 0.977 -11.944 -11.944 333 2HB SER 44 1HB SER 44 1.496 -10.522 -10.522 334 HG SER 44 HG SER 44 0.404 -12.951 -12.951 335 H TYR 45 H TYR 45 -2.812 -10.384 -10.384 336 HA TYR 45 HA TYR 45 -3.323 -13.257 -13.257 337 1HB TYR 45 2HB TYR 45 -4.785 -10.968 -10.968 338 2HB TYR 45 1HB TYR 45 -4.425 -12.559 -12.559 339 HD1 TYR 45 HD1 TYR 45 -1.400 -12.419 -12.419 340 HD2 TYR 45 HD2 TYR 45 -3.968 -9.803 -9.803 341 HE1 TYR 45 HE1 TYR 45 0.612 -11.466 -11.466 342 HE2 TYR 45 HE2 TYR 45 -1.947 -8.859 -8.859 343 HH TYR 45 HH TYR 45 0.225 -8.793 -8.793 344 H LYS 46 H LYS 46 -4.503 -10.244 -10.244 345 HA LYS 46 HA LYS 46 -6.834 -11.741 -11.741 346 1HB LYS 46 2HB LYS 46 -6.756 -8.857 -8.857 347 2HB LYS 46 1HB LYS 46 -8.097 -9.585 -9.585 348 1HG LYS 46 2HG LYS 46 -7.799 -11.449 -11.449 349 2HG LYS 46 1HG LYS 46 -7.162 -10.057 -10.057 350 1HD LYS 46 2HD LYS 46 -9.785 -9.818 -9.818 351 2HD LYS 46 1HD LYS 46 -9.760 -10.579 -10.579 352 1HE LYS 46 2HE LYS 46 -9.556 -8.576 -8.576 353 2HE LYS 46 1HE LYS 46 -8.211 -8.095 -8.095 354 1HZ LYS 46 1HZ LYS 46 -10.818 -7.148 -7.148 355 2HZ LYS 46 2HZ LYS 46 -9.598 -6.785 -6.785 356 H GLY 47 H GLY 47 -4.706 -8.844 -8.844 357 1HA GLY 47 1HA GLY 47 -3.416 -8.813 -8.813 358 2HA GLY 47 2HA GLY 47 -4.808 -9.466 -9.466 359 H LYS 48 H LYS 48 -5.027 -6.978 -6.978 360 HA LYS 48 HA LYS 48 -6.019 -5.132 -5.132 361 1HB LYS 48 2HB LYS 48 -6.796 -5.713 -5.713 362 2HB LYS 48 1HB LYS 48 -6.906 -4.046 -4.046 363 1HG LYS 48 2HG LYS 48 -9.040 -5.065 -5.065 364 2HG LYS 48 1HG LYS 48 -8.230 -4.842 -4.842 365 1HD LYS 48 2HD LYS 48 -8.452 -7.059 -7.059 366 2HD LYS 48 1HD LYS 48 -7.385 -7.396 -7.396 367 1HE LYS 48 2HE LYS 48 -9.205 -7.641 -7.641 368 2HE LYS 48 1HE LYS 48 -10.333 -6.823 -6.823 369 1HZ LYS 48 1HZ LYS 48 -9.945 -9.534 -9.534 370 2HZ LYS 48 2HZ LYS 48 -10.769 -8.758 -8.758 371 H CYS 49 H CYS 49 -5.663 -2.714 -2.714 372 HA CYS 49 HA CYS 49 -2.864 -2.539 -2.539 373 1HB CYS 49 2HB CYS 49 -3.848 -0.230 -0.230 374 2HB CYS 49 1HB CYS 49 -2.392 -1.179 -1.179 375 H TYR 50 H TYR 50 -3.157 -2.136 -2.136 376 HA TYR 50 HA TYR 50 -5.254 -0.508 -0.508 377 1HB TYR 50 2HB TYR 50 -2.660 -1.806 -1.806 378 2HB TYR 50 1HB TYR 50 -3.359 -0.597 -0.597 379 HD1 TYR 50 HD2 TYR 50 -3.855 -3.931 -3.931 380 HD2 TYR 50 HD1 TYR 50 -5.394 -1.035 -1.035 381 HE1 TYR 50 HE2 TYR 50 -5.417 -5.681 -5.681 382 HE2 TYR 50 HE1 TYR 50 -6.951 -2.795 -2.795 383 HH TYR 50 HH TYR 50 -8.014 -5.062 -5.062 384 H CYS 51 H CYS 51 -4.588 1.220 1.220 385 HA CYS 51 HA CYS 51 -2.417 2.794 2.794 386 1HB CYS 51 2HB CYS 51 -5.182 3.952 3.952 387 2HB CYS 51 1HB CYS 51 -3.678 4.532 4.532 Start of MODEL 6 1 H ALA 1 H ALA 1 2.129 -11.854 -11.854 2 HA ALA 1 HA ALA 1 4.636 -10.955 -10.955 3 1HB ALA 1 1HB ALA 1 2.644 -12.844 -12.844 4 2HB ALA 1 2HB ALA 1 3.103 -11.895 -11.895 5 3HB ALA 1 3HB ALA 1 4.350 -12.757 -12.757 6 H THR 2 H THR 2 2.374 -8.874 -8.874 7 HA THR 2 HA THR 2 1.787 -7.642 -7.642 8 HB THR 2 HB THR 2 2.019 -6.234 -6.234 9 HG1 THR 2 1HG THR 2 0.753 -7.932 -7.932 10 1HG2 THR 2 3HG2 THR 2 0.833 -5.574 -5.574 11 2HG2 THR 2 1HG2 THR 2 -0.515 -6.090 -6.090 12 3HG2 THR 2 2HG2 THR 2 0.549 -4.760 -4.760 13 H TYR 3 H TYR 3 2.827 -6.202 -6.202 14 HA TYR 3 HA TYR 3 5.630 -5.788 -5.788 15 1HB TYR 3 2HB TYR 3 3.834 -4.957 -4.957 16 2HB TYR 3 1HB TYR 3 5.585 -4.993 -4.993 17 HD1 TYR 3 HD2 TYR 3 5.076 -7.782 -7.782 18 HD2 TYR 3 HD1 TYR 3 4.250 -6.353 -6.353 19 HE1 TYR 3 HE2 TYR 3 5.012 -10.174 -10.174 20 HE2 TYR 3 HE1 TYR 3 4.188 -8.750 -8.750 21 HH TYR 3 HH TYR 3 4.219 -10.848 -10.848 22 H ASN 4 H ASN 4 6.059 -3.371 -3.371 23 HA ASN 4 HA ASN 4 4.363 -1.408 -1.408 24 1HB ASN 4 2HB ASN 4 7.215 -1.909 -1.909 25 2HB ASN 4 1HB ASN 4 6.621 -0.260 -0.260 26 1HD2 ASN 4 2HD2 ASN 4 5.102 -3.070 -3.070 27 2HD2 ASN 4 1HD2 ASN 4 5.964 -3.518 -3.518 28 H GLY 5 H GLY 5 4.703 0.709 0.709 29 1HA GLY 5 1HA GLY 5 6.875 1.188 1.188 30 2HA GLY 5 2HA GLY 5 5.460 0.655 0.655 31 H LYS 6 H LYS 6 4.553 2.455 2.455 32 HA LYS 6 HA LYS 6 3.623 4.511 4.511 33 1HB LYS 6 2HB LYS 6 5.203 5.401 5.401 34 2HB LYS 6 1HB LYS 6 4.686 6.339 6.339 35 1HG LYS 6 2HG LYS 6 6.231 5.061 5.061 36 2HG LYS 6 1HG LYS 6 6.714 4.056 4.056 37 1HD LYS 6 2HD LYS 6 7.622 6.045 6.045 38 2HD LYS 6 1HD LYS 6 7.086 7.087 7.087 39 1HE LYS 6 2HE LYS 6 8.547 5.267 5.267 40 2HE LYS 6 1HE LYS 6 9.406 5.195 5.195 41 1HZ LYS 6 1HZ LYS 6 10.063 7.385 7.385 42 2HZ LYS 6 2HZ LYS 6 8.770 7.852 7.852 43 H CYS 7 H CYS 7 2.028 5.970 5.970 44 HA CYS 7 HA CYS 7 0.945 4.705 4.705 45 1HB CYS 7 2HB CYS 7 -1.337 5.460 5.460 46 2HB CYS 7 1HB CYS 7 -0.678 3.837 3.837 47 H TYR 8 H TYR 8 -0.506 6.255 6.255 48 HA TYR 8 HA TYR 8 0.304 9.029 9.029 49 1HB TYR 8 2HB TYR 8 -0.449 7.467 7.467 50 2HB TYR 8 1HB TYR 8 -0.121 9.188 9.188 51 HD1 TYR 8 HD2 TYR 8 2.116 8.255 8.255 52 HD2 TYR 8 HD1 TYR 8 1.407 7.619 7.619 53 HE1 TYR 8 HE2 TYR 8 4.589 7.783 7.783 54 HE2 TYR 8 HE1 TYR 8 3.883 7.149 7.149 55 HH TYR 8 HH TYR 8 6.171 8.047 8.047 56 H LYS 9 H LYS 9 -1.310 10.668 10.668 57 HA LYS 9 HA LYS 9 -3.974 9.809 9.809 58 1HB LYS 9 2HB LYS 9 -4.277 12.427 12.427 59 2HB LYS 9 1HB LYS 9 -3.539 11.670 11.670 60 1HG LYS 9 2HG LYS 9 -1.373 12.358 12.358 61 2HG LYS 9 1HG LYS 9 -1.740 12.430 12.430 62 1HD LYS 9 2HD LYS 9 -1.570 14.713 14.713 63 2HD LYS 9 1HD LYS 9 -3.293 14.418 14.418 64 1HE LYS 9 2HE LYS 9 -3.053 13.754 13.754 65 2HE LYS 9 1HE LYS 9 -1.609 14.741 14.741 66 1HZ LYS 9 1HZ LYS 9 -3.455 16.142 16.142 67 2HZ LYS 9 2HZ LYS 9 -3.050 16.538 16.538 68 H LYS 10 H LYS 10 -2.353 11.784 11.784 69 HA LYS 10 HA LYS 10 -4.502 12.086 12.086 70 1HB LYS 10 2HB LYS 10 -1.991 12.900 12.900 71 2HB LYS 10 1HB LYS 10 -1.799 11.518 11.518 72 1HG LYS 10 2HG LYS 10 -4.128 12.606 12.606 73 2HG LYS 10 1HG LYS 10 -3.314 14.052 14.052 74 1HD LYS 10 2HD LYS 10 -1.324 12.469 12.469 75 2HD LYS 10 1HD LYS 10 -2.740 12.439 12.439 76 1HE LYS 10 2HE LYS 10 -2.759 14.795 14.795 77 2HE LYS 10 1HE LYS 10 -1.827 15.077 15.077 78 1HZ LYS 10 1HZ LYS 10 -0.600 13.597 13.597 79 2HZ LYS 10 2HZ LYS 10 -0.640 15.225 15.225 80 H ASP 11 H ASP 11 -2.080 9.375 9.375 81 HA ASP 11 HA ASP 11 -3.716 7.978 7.978 82 1HB ASP 11 2HB ASP 11 -1.076 7.598 7.598 83 2HB ASP 11 1HB ASP 11 -1.909 6.115 6.115 84 HD2 ASP 11 2HD ASP 11 0.476 7.842 7.842 85 H ASN 12 H ASN 12 -3.570 8.416 8.416 86 HA ASN 12 HA ASN 12 -4.297 7.306 7.306 87 1HB ASN 12 2HB ASN 12 -6.407 7.978 7.978 88 2HB ASN 12 1HB ASN 12 -6.629 6.241 6.241 89 1HD2 ASN 12 2HD2 ASN 12 -8.423 6.313 6.313 90 2HD2 ASN 12 1HD2 ASN 12 -8.252 5.814 5.814 91 H ILE 13 H ILE 13 -2.378 5.684 5.684 92 HA ILE 13 HA ILE 13 -3.577 3.019 3.019 93 HB ILE 13 HB ILE 13 -1.818 2.261 2.261 94 1HG1 ILE 13 2HG1 ILE 13 -0.681 3.993 3.993 95 2HG1 ILE 13 3HG1 ILE 13 -1.246 5.223 5.223 96 1HG2 ILE 13 1HG2 ILE 13 -4.203 3.712 3.712 97 2HG2 ILE 13 2HG2 ILE 13 -2.998 4.101 4.101 98 3HG2 ILE 13 3HG2 ILE 13 -3.434 2.405 2.405 99 1HD1 ILE 13 3HD1 ILE 13 0.168 2.855 2.855 100 2HD1 ILE 13 1HD1 ILE 13 1.150 4.035 4.035 101 3HD1 ILE 13 2HD1 ILE 13 0.190 4.563 4.563 102 H CYS 14 H CYS 14 -1.505 1.398 1.398 103 HA CYS 14 HA CYS 14 0.047 2.632 2.632 104 1HB CYS 14 2HB CYS 14 -1.424 1.429 1.429 105 2HB CYS 14 1HB CYS 14 -1.661 0.190 0.190 106 H LYS 15 H LYS 15 2.163 2.594 2.594 107 HA LYS 15 HA LYS 15 2.976 0.329 0.329 108 1HB LYS 15 2HB LYS 15 4.559 1.738 1.738 109 2HB LYS 15 1HB LYS 15 3.070 2.660 2.660 110 1HG LYS 15 2HG LYS 15 3.955 3.678 3.678 111 2HG LYS 15 1HG LYS 15 5.498 2.945 2.945 112 1HD LYS 15 2HD LYS 15 4.042 4.756 4.756 113 2HD LYS 15 1HD LYS 15 5.129 5.399 5.399 114 1HE LYS 15 2HE LYS 15 6.924 4.880 4.880 115 2HE LYS 15 1HE LYS 15 6.468 3.188 3.188 116 1HZ LYS 15 1HZ LYS 15 4.743 4.531 4.531 117 2HZ LYS 15 2HZ LYS 15 6.255 5.010 5.010 118 H TYR 16 H TYR 16 4.545 -1.053 -1.053 119 HA TYR 16 HA TYR 16 6.376 -0.247 -0.247 120 1HB TYR 16 2HB TYR 16 5.487 -2.127 -2.127 121 2HB TYR 16 1HB TYR 16 4.401 -0.760 -0.760 122 HD1 TYR 16 HD1 TYR 16 2.643 -0.982 -0.982 123 HD2 TYR 16 HD2 TYR 16 4.582 -4.253 -4.253 124 HE1 TYR 16 HE1 TYR 16 0.785 -2.545 -2.545 125 HE2 TYR 16 HE2 TYR 16 2.717 -5.805 -5.805 126 HH TYR 16 HH TYR 16 -0.173 -4.560 -4.560 127 H LYS 17 H LYS 17 7.977 -1.970 -1.970 128 HA LYS 17 HA LYS 17 8.360 -3.583 -3.583 129 1HB LYS 17 2HB LYS 17 10.111 -2.092 -2.092 130 2HB LYS 17 1HB LYS 17 10.247 -3.444 -3.444 131 1HG LYS 17 2HG LYS 17 10.431 -3.864 -3.864 132 2HG LYS 17 1HG LYS 17 11.835 -3.375 -3.375 133 1HD LYS 17 2HD LYS 17 11.243 -5.397 -5.397 134 2HD LYS 17 1HD LYS 17 10.225 -5.940 -5.940 135 1HE LYS 17 2HE LYS 17 12.063 -6.249 -6.249 136 2HE LYS 17 1HE LYS 17 13.103 -5.171 -5.171 137 1HZ LYS 17 1HZ LYS 17 12.624 -7.972 -7.972 138 2HZ LYS 17 2HZ LYS 17 13.872 -7.060 -7.060 139 H ALA 18 H ALA 18 7.237 -5.465 -5.465 140 HA ALA 18 HA ALA 18 6.141 -6.799 -6.799 141 1HB ALA 18 3HB ALA 18 5.900 -7.123 -7.123 142 2HB ALA 18 1HB ALA 18 7.300 -8.213 -8.213 143 3HB ALA 18 2HB ALA 18 5.800 -8.573 -8.573 144 H GLN 19 H GLN 19 6.759 -8.918 -8.918 145 HA GLN 19 HA GLN 19 9.217 -8.676 -8.676 146 1HB GLN 19 2HB GLN 19 6.913 -10.413 -10.413 147 2HB GLN 19 1HB GLN 19 8.353 -11.412 -11.412 148 1HG GLN 19 2HG GLN 19 8.114 -8.964 -8.964 149 2HG GLN 19 1HG GLN 19 7.460 -10.514 -10.514 150 1HE2 GLN 19 2HE2 GLN 19 10.605 -12.183 -12.183 151 2HE2 GLN 19 1HE2 GLN 19 8.951 -12.397 -12.397 152 H SER 20 H SER 20 8.408 -9.828 -9.828 153 HA SER 20 HA SER 20 11.078 -10.964 -10.964 154 1HB SER 20 2HB SER 20 9.775 -12.471 -12.471 155 2HB SER 20 1HB SER 20 10.047 -12.996 -12.996 156 HG SER 20 HG SER 20 7.778 -13.149 -13.149 157 H GLY 21 H GLY 21 9.261 -8.423 -8.423 158 1HA GLY 21 1HA GLY 21 9.534 -6.825 -6.825 159 2HA GLY 21 2HA GLY 21 10.669 -7.855 -7.855 160 H LYS 22 H LYS 22 7.996 -9.796 -9.796 161 HA LYS 22 HA LYS 22 7.231 -9.798 -9.798 162 1HB LYS 22 2HB LYS 22 7.158 -11.730 -11.730 163 2HB LYS 22 1HB LYS 22 5.743 -10.996 -10.996 164 1HG LYS 22 2HG LYS 22 5.457 -11.078 -11.078 165 2HG LYS 22 1HG LYS 22 5.824 -12.677 -12.677 166 1HD LYS 22 2HD LYS 22 3.842 -12.834 -12.834 167 2HD LYS 22 1HD LYS 22 3.782 -11.117 -11.117 168 1HE LYS 22 2HE LYS 22 2.580 -10.644 -10.644 169 2HE LYS 22 1HE LYS 22 3.522 -11.739 -11.739 170 1HZ LYS 22 1HZ LYS 22 1.236 -12.530 -12.530 171 2HZ LYS 22 2HZ LYS 22 2.262 -13.598 -13.598 172 H THR 23 H THR 23 5.262 -8.944 -8.944 173 HA THR 23 HA THR 23 3.173 -7.786 -7.786 174 HB THR 23 HB THR 23 3.973 -8.241 -8.241 175 HG1 THR 23 1HG THR 23 1.701 -7.306 -7.306 176 1HG2 THR 23 2HG2 THR 23 4.667 -5.608 -5.608 177 2HG2 THR 23 3HG2 THR 23 2.931 -5.431 -5.431 178 3HG2 THR 23 1HG2 THR 23 4.001 -6.230 -6.230 179 H ALA 24 H ALA 24 2.720 -5.211 -5.211 180 HA ALA 24 HA ALA 24 4.818 -3.436 -3.436 181 1HB ALA 24 2HB ALA 24 4.404 -4.804 -4.804 182 2HB ALA 24 3HB ALA 24 3.369 -3.372 -3.372 183 3HB ALA 24 1HB ALA 24 5.105 -3.172 -3.172 184 H ILE 25 H ILE 25 3.219 -1.591 -1.591 185 HA ILE 25 HA ILE 25 1.786 -0.291 -0.291 186 HB ILE 25 HB ILE 25 1.136 -0.216 -0.216 187 1HG1 ILE 25 2HG1 ILE 25 3.602 0.674 0.674 188 2HG1 ILE 25 3HG1 ILE 25 3.434 -0.051 -0.051 189 1HG2 ILE 25 1HG2 ILE 25 -0.257 1.067 1.067 190 2HG2 ILE 25 2HG2 ILE 25 1.194 2.054 2.054 191 3HG2 ILE 25 3HG2 ILE 25 0.462 2.013 2.013 192 1HD1 ILE 25 1HD1 ILE 25 2.364 2.060 2.060 193 2HD1 ILE 25 2HD1 ILE 25 2.622 2.792 2.792 194 3HD1 ILE 25 3HD1 ILE 25 4.018 2.323 2.323 195 H CYS 26 H CYS 26 -0.370 -0.229 -0.229 196 HA CYS 26 HA CYS 26 -2.209 -2.086 -2.086 197 1HB CYS 26 2HB CYS 26 -0.794 -3.147 -3.147 198 2HB CYS 26 1HB CYS 26 -1.968 -2.299 -2.299 199 H LYS 27 H LYS 27 -3.938 -0.741 -0.741 200 HA LYS 27 HA LYS 27 -4.364 1.730 1.730 201 1HB LYS 27 2HB LYS 27 -6.618 -0.278 -0.278 202 2HB LYS 27 1HB LYS 27 -6.690 1.448 1.448 203 1HG LYS 27 2HG LYS 27 -4.609 0.638 0.638 204 2HG LYS 27 1HG LYS 27 -5.715 -0.719 -0.719 205 1HD LYS 27 2HD LYS 27 -7.540 1.252 1.252 206 2HD LYS 27 1HD LYS 27 -6.147 2.142 2.142 207 1HE LYS 27 2HE LYS 27 -5.686 0.325 0.325 208 2HE LYS 27 1HE LYS 27 -7.085 -0.557 -0.557 209 1HZ LYS 27 1HZ LYS 27 -8.209 1.795 1.795 210 2HZ LYS 27 2HZ LYS 27 -7.007 1.857 1.857 211 H CYS 28 H CYS 28 -5.554 2.812 2.812 212 HA CYS 28 HA CYS 28 -5.032 1.631 1.631 213 1HB CYS 28 2HB CYS 28 -5.185 4.185 4.185 214 2HB CYS 28 1HB CYS 28 -6.753 4.033 4.033 215 H TYR 29 H TYR 29 -7.533 2.881 2.881 216 HA TYR 29 HA TYR 29 -9.664 1.249 1.249 217 1HB TYR 29 2HB TYR 29 -8.018 0.108 0.108 218 2HB TYR 29 1HB TYR 29 -8.949 1.083 1.083 219 HD1 TYR 29 HD2 TYR 29 -11.385 0.576 0.576 220 HD2 TYR 29 HD1 TYR 29 -8.961 -1.768 -1.768 221 HE1 TYR 29 HE2 TYR 29 -13.182 -1.220 -1.220 222 HE2 TYR 29 HE1 TYR 29 -10.767 -3.556 -3.556 223 HH TYR 29 HH TYR 29 -13.907 -2.987 -2.987 224 H VAL 30 H VAL 30 -11.040 1.470 1.470 225 HA VAL 30 HA VAL 30 -12.419 3.825 3.825 226 HB VAL 30 HB VAL 30 -12.305 1.723 1.723 227 1HG1 VAL 30 1HG1 VAL 30 -13.095 4.540 4.540 228 2HG1 VAL 30 2HG1 VAL 30 -13.709 3.097 3.097 229 3HG1 VAL 30 3HG1 VAL 30 -11.962 3.438 3.438 230 1HG2 VAL 30 1HG2 VAL 30 -14.274 3.118 3.118 231 2HG2 VAL 30 2HG2 VAL 30 -14.146 1.399 1.399 232 3HG2 VAL 30 3HG2 VAL 30 -14.894 2.556 2.556 233 H LYS 31 H LYS 31 -9.625 3.101 3.101 234 HA LYS 31 HA LYS 31 -9.611 5.822 5.822 235 1HB LYS 31 2HB LYS 31 -8.472 3.260 3.260 236 2HB LYS 31 1HB LYS 31 -7.271 4.535 4.535 237 1HG LYS 31 2HG LYS 31 -9.353 5.868 5.868 238 2HG LYS 31 1HG LYS 31 -9.777 4.233 4.233 239 1HD LYS 31 2HD LYS 31 -7.243 4.046 4.046 240 2HD LYS 31 1HD LYS 31 -7.268 5.798 5.798 241 1HE LYS 31 2HE LYS 31 -8.999 5.926 5.926 242 2HE LYS 31 1HE LYS 31 -9.371 4.219 4.219 243 1HZ LYS 31 1HZ LYS 31 -7.934 3.993 3.993 244 2HZ LYS 31 2HZ LYS 31 -6.725 4.221 4.221 245 H LYS 32 H LYS 32 -9.477 6.652 6.652 246 HA LYS 32 HA LYS 32 -7.450 6.216 6.216 247 1HB LYS 32 2HB LYS 32 -8.529 8.971 8.971 248 2HB LYS 32 1HB LYS 32 -7.893 8.396 8.396 249 1HG LYS 32 2HG LYS 32 -9.801 6.567 6.567 250 2HG LYS 32 1HG LYS 32 -10.513 7.676 7.676 251 1HD LYS 32 2HD LYS 32 -9.874 8.210 8.210 252 2HD LYS 32 1HD LYS 32 -11.451 8.211 8.211 253 1HE LYS 32 2HE LYS 32 -10.187 10.110 10.110 254 2HE LYS 32 1HE LYS 32 -9.333 10.325 10.325 255 1HZ LYS 32 1HZ LYS 32 -11.149 11.625 11.625 256 2HZ LYS 32 2HZ LYS 32 -11.831 10.225 10.225 257 H CYS 33 H CYS 33 -5.523 7.735 7.735 258 HA CYS 33 HA CYS 33 -3.859 7.658 7.658 259 1HB CYS 33 2HB CYS 33 -3.301 7.157 7.157 260 2HB CYS 33 1HB CYS 33 -3.023 8.886 8.886 261 HA PRO 34 HA PRO 34 -4.545 11.845 11.845 262 1HB PRO 34 2HB PRO 34 -2.503 12.220 12.220 263 2HB PRO 34 1HB PRO 34 -4.021 11.458 11.458 264 1HG PRO 34 2HG PRO 34 -1.382 10.206 10.206 265 2HG PRO 34 1HG PRO 34 -2.780 9.550 9.550 266 1HD PRO 34 2HD PRO 34 -1.885 8.890 8.890 267 2HD PRO 34 1HD PRO 34 -3.346 8.323 8.323 268 H ARG 35 H ARG 35 -1.350 10.863 10.863 269 HA ARG 35 HA ARG 35 -1.255 12.886 12.886 270 1HB ARG 35 2HB ARG 35 0.577 14.301 14.301 271 2HB ARG 35 1HB ARG 35 -0.900 14.419 14.419 272 1HG ARG 35 2HG ARG 35 0.362 12.270 12.270 273 2HG ARG 35 1HG ARG 35 1.731 13.260 13.260 274 1HD ARG 35 2HD ARG 35 -0.493 13.879 13.879 275 2HD ARG 35 1HD ARG 35 1.223 14.200 14.200 276 HE ARG 35 HE ARG 35 0.522 15.838 15.838 277 1HH1 ARG 35 2HH2 ARG 35 -0.864 15.384 15.384 278 2HH1 ARG 35 1HH2 ARG 35 -1.446 17.012 17.012 279 HH2 ARG 35 1HH ARG 35 -1.072 18.523 18.523 280 H ASP 36 H ASP 36 0.518 12.517 12.517 281 HA ASP 36 HA ASP 36 1.515 10.110 10.110 282 1HB ASP 36 2HB ASP 36 2.115 11.510 11.510 283 2HB ASP 36 1HB ASP 36 2.546 12.834 12.834 284 HD2 ASP 36 2HD ASP 36 3.697 10.336 10.336 285 H GLY 37 H GLY 37 3.189 8.813 8.813 286 1HA GLY 37 1HA GLY 37 5.262 8.561 8.561 287 2HA GLY 37 2HA GLY 37 5.015 10.085 10.085 288 H ALA 38 H ALA 38 2.095 9.436 9.436 289 HA ALA 38 HA ALA 38 2.199 8.631 8.631 290 1HB ALA 38 1HB ALA 38 0.226 9.032 9.032 291 2HB ALA 38 2HB ALA 38 -0.074 7.382 7.382 292 3HB ALA 38 3HB ALA 38 -0.041 8.747 8.747 293 H LYS 39 H LYS 39 2.988 6.895 6.895 294 HA LYS 39 HA LYS 39 3.867 4.616 4.616 295 1HB LYS 39 2HB LYS 39 4.896 5.545 5.545 296 2HB LYS 39 1HB LYS 39 3.499 5.006 5.006 297 1HG LYS 39 2HG LYS 39 4.020 2.654 2.654 298 2HG LYS 39 1HG LYS 39 5.614 3.337 3.337 299 1HD LYS 39 2HD LYS 39 4.230 3.271 3.271 300 2HD LYS 39 1HD LYS 39 5.340 2.031 2.031 301 1HE LYS 39 2HE LYS 39 6.993 3.318 3.318 302 2HE LYS 39 1HE LYS 39 6.788 4.358 4.358 303 1HZ LYS 39 1HZ LYS 39 5.777 5.925 5.925 304 2HZ LYS 39 2HZ LYS 39 4.875 4.862 4.862 305 H CYS 40 H CYS 40 3.100 2.414 2.414 306 HA CYS 40 HA CYS 40 0.515 1.981 1.981 307 1HB CYS 40 2HB CYS 40 -0.434 1.131 1.131 308 2HB CYS 40 1HB CYS 40 -0.379 2.867 2.867 309 H GLU 41 H GLU 41 -0.120 -0.454 -0.454 310 HA GLU 41 HA GLU 41 2.318 -1.981 -1.981 311 1HB GLU 41 2HB GLU 41 0.327 -2.388 -2.388 312 2HB GLU 41 1HB GLU 41 1.592 -3.529 -3.529 313 1HG GLU 41 2HG GLU 41 3.161 -1.363 -1.363 314 2HG GLU 41 1HG GLU 41 1.844 -0.760 -0.760 315 HE2 GLU 41 2HE GLU 41 2.817 -2.147 -2.147 316 H PHE 42 H PHE 42 1.890 -4.272 -4.272 317 HA PHE 42 HA PHE 42 -0.713 -4.443 -4.443 318 1HB PHE 42 2HB PHE 42 1.247 -4.363 -4.363 319 2HB PHE 42 1HB PHE 42 2.100 -5.549 -5.549 320 HD1 PHE 42 2HD PHE 42 -1.088 -5.225 -5.225 321 HD2 PHE 42 1HD PHE 42 2.129 -7.731 -7.731 322 HE1 PHE 42 2HE PHE 42 -1.982 -7.060 -7.060 323 HE2 PHE 42 1HE PHE 42 1.235 -9.565 -9.565 324 HZ PHE 42 HZ PHE 42 -0.810 -9.207 -9.207 325 H ASP 43 H ASP 43 -1.965 -5.530 -5.530 326 HA ASP 43 HA ASP 43 -1.036 -7.488 -7.488 327 1HB ASP 43 2HB ASP 43 -3.525 -6.287 -6.287 328 2HB ASP 43 1HB ASP 43 -3.783 -8.008 -8.008 329 HD1 ASP 43 2HD ASP 43 -2.464 -6.873 -6.873 330 H SER 44 H SER 44 -0.517 -9.669 -9.669 331 HA SER 44 HA SER 44 -0.914 -10.648 -10.648 332 1HB SER 44 2HB SER 44 0.799 -12.221 -12.221 333 2HB SER 44 1HB SER 44 1.314 -10.767 -10.767 334 HG SER 44 HG SER 44 1.090 -13.138 -13.138 335 H TYR 45 H TYR 45 -2.852 -10.468 -10.468 336 HA TYR 45 HA TYR 45 -3.605 -13.253 -13.253 337 1HB TYR 45 2HB TYR 45 -5.156 -10.831 -10.831 338 2HB TYR 45 1HB TYR 45 -4.927 -12.373 -12.373 339 HD1 TYR 45 HD1 TYR 45 -1.807 -12.345 -12.345 340 HD2 TYR 45 HD2 TYR 45 -4.556 -9.555 -9.555 341 HE1 TYR 45 HE1 TYR 45 0.071 -11.341 -11.341 342 HE2 TYR 45 HE2 TYR 45 -2.669 -8.559 -8.559 343 HH TYR 45 HH TYR 45 -0.590 -8.692 -8.692 344 H LYS 46 H LYS 46 -4.682 -10.242 -10.242 345 HA LYS 46 HA LYS 46 -6.772 -11.840 -11.840 346 1HB LYS 46 2HB LYS 46 -6.988 -9.064 -9.064 347 2HB LYS 46 1HB LYS 46 -8.088 -9.639 -9.639 348 1HG LYS 46 2HG LYS 46 -7.906 -11.729 -11.729 349 2HG LYS 46 1HG LYS 46 -8.077 -10.235 -10.235 350 1HD LYS 46 2HD LYS 46 -9.922 -9.946 -9.946 351 2HD LYS 46 1HD LYS 46 -10.051 -11.641 -11.641 352 1HE LYS 46 2HE LYS 46 -9.943 -9.769 -9.769 353 2HE LYS 46 1HE LYS 46 -11.368 -9.613 -9.613 354 1HZ LYS 46 1HZ LYS 46 -11.528 -12.144 -12.144 355 2HZ LYS 46 2HZ LYS 46 -10.447 -12.031 -12.031 356 H GLY 47 H GLY 47 -4.649 -8.912 -8.912 357 1HA GLY 47 1HA GLY 47 -3.159 -8.767 -8.767 358 2HA GLY 47 2HA GLY 47 -4.466 -9.337 -9.337 359 H LYS 48 H LYS 48 -5.124 -7.093 -7.093 360 HA LYS 48 HA LYS 48 -6.181 -5.196 -5.196 361 1HB LYS 48 2HB LYS 48 -5.994 -5.299 -5.299 362 2HB LYS 48 1HB LYS 48 -6.661 -3.925 -3.925 363 1HG LYS 48 2HG LYS 48 -7.686 -6.649 -6.649 364 2HG LYS 48 1HG LYS 48 -8.185 -6.017 -6.017 365 1HD LYS 48 2HD LYS 48 -9.865 -5.240 -5.240 366 2HD LYS 48 1HD LYS 48 -8.833 -3.842 -3.842 367 1HE LYS 48 2HE LYS 48 -9.502 -4.398 -4.398 368 2HE LYS 48 1HE LYS 48 -7.801 -4.096 -4.096 369 1HZ LYS 48 1HZ LYS 48 -8.741 -6.867 -6.867 370 2HZ LYS 48 2HZ LYS 48 -8.576 -6.241 -6.241 371 H CYS 49 H CYS 49 -5.576 -2.716 -2.716 372 HA CYS 49 HA CYS 49 -2.674 -2.569 -2.569 373 1HB CYS 49 2HB CYS 49 -3.938 -0.525 -0.525 374 2HB CYS 49 1HB CYS 49 -2.414 -1.370 -1.370 375 H TYR 50 H TYR 50 -2.997 -2.034 -2.034 376 HA TYR 50 HA TYR 50 -4.784 -0.226 -0.226 377 1HB TYR 50 2HB TYR 50 -1.916 -1.110 -1.110 378 2HB TYR 50 1HB TYR 50 -2.631 0.125 0.125 379 HD1 TYR 50 HD2 TYR 50 -3.120 -3.374 -3.374 380 HD2 TYR 50 HD1 TYR 50 -4.067 -0.458 -0.458 381 HE1 TYR 50 HE2 TYR 50 -4.229 -5.172 -5.172 382 HE2 TYR 50 HE1 TYR 50 -5.173 -2.266 -2.266 383 HH TYR 50 HH TYR 50 -4.940 -5.641 -5.641 384 H CYS 51 H CYS 51 -4.117 1.975 1.975 385 HA CYS 51 HA CYS 51 -2.230 3.478 3.478 386 1HB CYS 51 2HB CYS 51 -4.367 5.174 5.174 387 2HB CYS 51 1HB CYS 51 -3.644 4.212 4.212 Start of MODEL 7 1 H ALA 1 H ALA 1 2.774 -10.755 -10.755 2 HA ALA 1 HA ALA 1 4.721 -10.865 -10.865 3 1HB ALA 1 2HB ALA 1 3.025 -12.740 -12.740 4 2HB ALA 1 3HB ALA 1 3.831 -11.609 -11.609 5 3HB ALA 1 1HB ALA 1 4.799 -12.593 -12.593 6 H THR 2 H THR 2 3.189 -8.753 -8.753 7 HA THR 2 HA THR 2 2.177 -7.368 -7.368 8 HB THR 2 HB THR 2 2.704 -6.086 -6.086 9 HG1 THR 2 1HG THR 2 0.626 -7.302 -7.302 10 1HG2 THR 2 3HG2 THR 2 1.106 -5.479 -5.479 11 2HG2 THR 2 1HG2 THR 2 -0.034 -6.124 -6.124 12 3HG2 THR 2 2HG2 THR 2 0.988 -4.723 -4.723 13 H TYR 3 H TYR 3 3.215 -6.021 -6.021 14 HA TYR 3 HA TYR 3 6.045 -5.624 -5.624 15 1HB TYR 3 2HB TYR 3 4.211 -4.672 -4.672 16 2HB TYR 3 1HB TYR 3 5.944 -4.911 -4.911 17 HD1 TYR 3 HD2 TYR 3 5.391 -7.644 -7.644 18 HD2 TYR 3 HD1 TYR 3 4.173 -6.083 -6.083 19 HE1 TYR 3 HE2 TYR 3 5.014 -10.006 -10.006 20 HE2 TYR 3 HE1 TYR 3 3.800 -8.451 -8.451 21 HH TYR 3 HH TYR 3 3.481 -10.581 -10.581 22 H ASN 4 H ASN 4 6.620 -3.243 -3.243 23 HA ASN 4 HA ASN 4 4.939 -1.264 -1.264 24 1HB ASN 4 2HB ASN 4 7.937 -0.990 -0.990 25 2HB ASN 4 1HB ASN 4 6.657 -0.289 -0.289 26 1HD2 ASN 4 2HD2 ASN 4 5.905 -3.405 -3.405 27 2HD2 ASN 4 1HD2 ASN 4 5.103 -2.141 -2.141 28 H GLY 5 H GLY 5 4.922 0.683 0.683 29 1HA GLY 5 1HA GLY 5 7.035 1.284 1.284 30 2HA GLY 5 2HA GLY 5 5.577 0.702 0.702 31 H LYS 6 H LYS 6 4.782 2.583 2.583 32 HA LYS 6 HA LYS 6 3.799 4.566 4.566 33 1HB LYS 6 2HB LYS 6 5.508 5.333 5.333 34 2HB LYS 6 1HB LYS 6 4.698 6.437 6.437 35 1HG LYS 6 2HG LYS 6 6.048 5.616 5.616 36 2HG LYS 6 1HG LYS 6 6.792 4.396 4.396 37 1HD LYS 6 2HD LYS 6 7.671 6.285 6.285 38 2HD LYS 6 1HD LYS 6 7.072 7.423 7.423 39 1HE LYS 6 2HE LYS 6 8.831 5.173 5.173 40 2HE LYS 6 1HE LYS 6 9.594 6.476 6.476 41 1HZ LYS 6 1HZ LYS 6 9.409 7.783 7.783 42 2HZ LYS 6 2HZ LYS 6 7.802 7.546 7.546 43 H CYS 7 H CYS 7 2.156 6.020 6.020 44 HA CYS 7 HA CYS 7 1.000 4.711 4.711 45 1HB CYS 7 2HB CYS 7 -1.258 5.390 5.390 46 2HB CYS 7 1HB CYS 7 -0.472 3.877 3.877 47 H TYR 8 H TYR 8 -0.309 6.218 6.218 48 HA TYR 8 HA TYR 8 0.458 9.014 9.014 49 1HB TYR 8 2HB TYR 8 -0.184 7.362 7.362 50 2HB TYR 8 1HB TYR 8 0.131 9.086 9.086 51 HD1 TYR 8 HD2 TYR 8 2.271 8.206 8.206 52 HD2 TYR 8 HD1 TYR 8 1.750 7.515 7.515 53 HE1 TYR 8 HE2 TYR 8 4.760 7.743 7.743 54 HE2 TYR 8 HE1 TYR 8 4.240 7.055 7.055 55 HH TYR 8 HH TYR 8 6.447 7.861 7.861 56 H LYS 9 H LYS 9 -1.120 10.595 10.595 57 HA LYS 9 HA LYS 9 -3.818 9.662 9.662 58 1HB LYS 9 2HB LYS 9 -4.313 11.966 11.966 59 2HB LYS 9 1HB LYS 9 -2.934 11.360 11.360 60 1HG LYS 9 2HG LYS 9 -2.082 13.417 13.417 61 2HG LYS 9 1HG LYS 9 -1.539 12.427 12.427 62 1HD LYS 9 2HD LYS 9 -2.562 14.099 14.099 63 2HD LYS 9 1HD LYS 9 -3.965 13.076 13.076 64 1HE LYS 9 2HE LYS 9 -5.010 14.669 14.669 65 2HE LYS 9 1HE LYS 9 -3.632 14.823 14.823 66 1HZ LYS 9 1HZ LYS 9 -4.429 16.652 16.652 67 2HZ LYS 9 2HZ LYS 9 -3.060 16.717 16.717 68 H LYS 10 H LYS 10 -1.928 11.759 11.759 69 HA LYS 10 HA LYS 10 -4.009 12.460 12.460 70 1HB LYS 10 2HB LYS 10 -1.330 12.955 12.955 71 2HB LYS 10 1HB LYS 10 -1.405 11.921 11.921 72 1HG LYS 10 2HG LYS 10 -3.181 13.380 13.380 73 2HG LYS 10 1HG LYS 10 -3.125 14.410 14.410 74 1HD LYS 10 2HD LYS 10 -0.448 13.981 13.981 75 2HD LYS 10 1HD LYS 10 -1.563 14.695 14.695 76 1HE LYS 10 2HE LYS 10 -1.527 15.835 15.835 77 2HE LYS 10 1HE LYS 10 -0.161 16.195 16.195 78 1HZ LYS 10 1HZ LYS 10 -1.886 17.858 17.858 79 2HZ LYS 10 2HZ LYS 10 -1.764 17.016 17.016 80 H ASP 11 H ASP 11 -1.961 9.493 9.493 81 HA ASP 11 HA ASP 11 -3.532 8.476 8.476 82 1HB ASP 11 2HB ASP 11 -0.871 7.999 7.999 83 2HB ASP 11 1HB ASP 11 -1.736 6.484 6.484 84 HD1 ASP 11 2HD ASP 11 -2.012 7.350 7.350 85 H ASN 12 H ASN 12 -3.614 8.644 8.644 86 HA ASN 12 HA ASN 12 -4.409 7.403 7.403 87 1HB ASN 12 2HB ASN 12 -6.451 8.260 8.260 88 2HB ASN 12 1HB ASN 12 -6.568 6.658 6.658 89 1HD2 ASN 12 2HD2 ASN 12 -8.863 6.077 6.077 90 2HD2 ASN 12 1HD2 ASN 12 -8.639 6.487 6.487 91 H ILE 13 H ILE 13 -2.420 5.855 5.855 92 HA ILE 13 HA ILE 13 -3.587 3.185 3.185 93 HB ILE 13 HB ILE 13 -1.806 2.527 2.527 94 1HG1 ILE 13 2HG1 ILE 13 -0.557 4.372 4.372 95 2HG1 ILE 13 3HG1 ILE 13 -1.076 5.465 5.465 96 1HG2 ILE 13 2HG2 ILE 13 -4.102 4.091 4.091 97 2HG2 ILE 13 3HG2 ILE 13 -2.817 4.597 4.597 98 3HG2 ILE 13 1HG2 ILE 13 -3.293 2.884 2.884 99 1HD1 ILE 13 1HD1 ILE 13 0.211 2.861 2.861 100 2HD1 ILE 13 2HD1 ILE 13 1.245 4.167 4.167 101 3HD1 ILE 13 3HD1 ILE 13 0.245 4.443 4.443 102 H CYS 14 H CYS 14 -1.579 1.539 1.539 103 HA CYS 14 HA CYS 14 -0.099 2.658 2.658 104 1HB CYS 14 2HB CYS 14 -2.015 0.465 0.465 105 2HB CYS 14 1HB CYS 14 -0.449 -0.050 -0.050 106 H LYS 15 H LYS 15 2.003 2.723 2.723 107 HA LYS 15 HA LYS 15 2.885 0.481 0.481 108 1HB LYS 15 2HB LYS 15 4.291 1.909 1.909 109 2HB LYS 15 1HB LYS 15 2.966 2.993 2.993 110 1HG LYS 15 2HG LYS 15 4.201 3.746 3.746 111 2HG LYS 15 1HG LYS 15 5.543 2.714 2.714 112 1HD LYS 15 2HD LYS 15 4.521 4.682 4.682 113 2HD LYS 15 1HD LYS 15 5.462 5.305 5.305 114 1HE LYS 15 2HE LYS 15 7.063 4.829 4.829 115 2HE LYS 15 1HE LYS 15 7.235 3.524 3.524 116 1HZ LYS 15 1HZ LYS 15 5.285 3.029 3.029 117 2HZ LYS 15 2HZ LYS 15 6.822 3.131 3.131 118 H TYR 16 H TYR 16 4.411 -0.925 -0.925 119 HA TYR 16 HA TYR 16 6.238 -0.160 -0.160 120 1HB TYR 16 2HB TYR 16 5.293 -1.986 -1.986 121 2HB TYR 16 1HB TYR 16 4.235 -0.601 -0.601 122 HD1 TYR 16 HD1 TYR 16 2.478 -0.821 -0.821 123 HD2 TYR 16 HD2 TYR 16 4.357 -4.101 -4.101 124 HE1 TYR 16 HE1 TYR 16 0.595 -2.361 -2.361 125 HE2 TYR 16 HE2 TYR 16 2.467 -5.630 -5.630 126 HH TYR 16 HH TYR 16 -0.397 -4.352 -4.352 127 H LYS 17 H LYS 17 7.766 -1.951 -1.951 128 HA LYS 17 HA LYS 17 8.134 -3.577 -3.577 129 1HB LYS 17 2HB LYS 17 9.910 -2.152 -2.152 130 2HB LYS 17 1HB LYS 17 9.983 -3.536 -3.536 131 1HG LYS 17 2HG LYS 17 10.052 -4.224 -4.224 132 2HG LYS 17 1HG LYS 17 11.424 -3.284 -3.284 133 1HD LYS 17 2HD LYS 17 11.787 -4.942 -4.942 134 2HD LYS 17 1HD LYS 17 10.447 -5.895 -5.895 135 1HE LYS 17 2HE LYS 17 11.753 -5.885 -5.885 136 2HE LYS 17 1HE LYS 17 13.130 -5.370 -5.370 137 1HZ LYS 17 1HZ LYS 17 12.593 -7.914 -7.914 138 2HZ LYS 17 2HZ LYS 17 13.221 -7.392 -7.392 139 H ALA 18 H ALA 18 7.069 -5.478 -5.478 140 HA ALA 18 HA ALA 18 5.862 -6.756 -6.756 141 1HB ALA 18 3HB ALA 18 5.575 -7.027 -7.027 142 2HB ALA 18 1HB ALA 18 6.925 -8.183 -8.183 143 3HB ALA 18 2HB ALA 18 5.421 -8.486 -8.486 144 H GLN 19 H GLN 19 6.405 -8.942 -8.942 145 HA GLN 19 HA GLN 19 8.851 -8.823 -8.823 146 1HB GLN 19 2HB GLN 19 6.509 -10.461 -10.461 147 2HB GLN 19 1HB GLN 19 7.872 -11.553 -11.553 148 1HG GLN 19 2HG GLN 19 8.917 -9.931 -9.931 149 2HG GLN 19 1HG GLN 19 7.226 -9.613 -9.613 150 1HE2 GLN 19 2HE2 GLN 19 8.718 -13.470 -13.470 151 2HE2 GLN 19 1HE2 GLN 19 9.354 -12.367 -12.367 152 H SER 20 H SER 20 7.941 -10.057 -10.057 153 HA SER 20 HA SER 20 10.640 -11.130 -11.130 154 1HB SER 20 2HB SER 20 9.310 -12.545 -12.545 155 2HB SER 20 1HB SER 20 9.583 -13.136 -13.136 156 HG SER 20 HG SER 20 7.294 -13.175 -13.175 157 H GLY 21 H GLY 21 8.967 -8.502 -8.502 158 1HA GLY 21 1HA GLY 21 9.237 -6.868 -6.868 159 2HA GLY 21 2HA GLY 21 10.371 -7.883 -7.883 160 H LYS 22 H LYS 22 7.575 -9.722 -9.722 161 HA LYS 22 HA LYS 22 6.882 -9.668 -9.668 162 1HB LYS 22 2HB LYS 22 6.718 -11.630 -11.630 163 2HB LYS 22 1HB LYS 22 5.316 -10.864 -10.864 164 1HG LYS 22 2HG LYS 22 4.473 -10.705 -10.705 165 2HG LYS 22 1HG LYS 22 5.635 -11.989 -11.989 166 1HD LYS 22 2HD LYS 22 4.367 -12.904 -12.904 167 2HD LYS 22 1HD LYS 22 3.054 -12.046 -12.046 168 1HE LYS 22 2HE LYS 22 3.588 -13.325 -13.325 169 2HE LYS 22 1HE LYS 22 4.756 -14.264 -14.264 170 1HZ LYS 22 1HZ LYS 22 3.063 -15.550 -15.550 171 2HZ LYS 22 2HZ LYS 22 2.366 -14.298 -14.298 172 H THR 23 H THR 23 4.891 -8.810 -8.810 173 HA THR 23 HA THR 23 2.864 -7.557 -7.557 174 HB THR 23 HB THR 23 3.615 -8.081 -8.081 175 HG1 THR 23 1HG THR 23 1.473 -6.558 -6.558 176 1HG2 THR 23 1HG2 THR 23 4.391 -5.469 -5.469 177 2HG2 THR 23 2HG2 THR 23 2.652 -5.240 -5.240 178 3HG2 THR 23 3HG2 THR 23 3.661 -6.087 -6.087 179 H ALA 24 H ALA 24 2.473 -4.987 -4.987 180 HA ALA 24 HA ALA 24 4.610 -3.256 -3.256 181 1HB ALA 24 1HB ALA 24 4.197 -4.605 -4.605 182 2HB ALA 24 2HB ALA 24 3.353 -3.055 -3.055 183 3HB ALA 24 3HB ALA 24 5.078 -3.073 -3.073 184 H ILE 25 H ILE 25 3.197 -1.324 -1.324 185 HA ILE 25 HA ILE 25 1.667 -0.031 -0.031 186 HB ILE 25 HB ILE 25 1.166 0.107 0.107 187 1HG1 ILE 25 2HG1 ILE 25 3.609 0.859 0.859 188 2HG1 ILE 25 3HG1 ILE 25 3.469 0.185 0.185 189 1HG2 ILE 25 1HG2 ILE 25 -0.019 1.473 1.473 190 2HG2 ILE 25 2HG2 ILE 25 1.365 2.537 2.537 191 3HG2 ILE 25 3HG2 ILE 25 0.221 2.114 2.114 192 1HD1 ILE 25 2HD1 ILE 25 2.237 2.515 2.515 193 2HD1 ILE 25 3HD1 ILE 25 3.196 3.045 3.045 194 3HD1 ILE 25 1HD1 ILE 25 4.011 2.380 2.380 195 H CYS 26 H CYS 26 -0.429 -0.091 -0.091 196 HA CYS 26 HA CYS 26 -2.262 -1.857 -1.857 197 1HB CYS 26 2HB CYS 26 -1.140 -3.157 -3.157 198 2HB CYS 26 1HB CYS 26 -1.810 -2.033 -2.033 199 H LYS 27 H LYS 27 -3.871 -0.414 -0.414 200 HA LYS 27 HA LYS 27 -4.319 2.045 2.045 201 1HB LYS 27 2HB LYS 27 -6.859 1.408 1.408 202 2HB LYS 27 1HB LYS 27 -5.694 1.521 1.521 203 1HG LYS 27 2HG LYS 27 -5.694 -0.748 -0.748 204 2HG LYS 27 1HG LYS 27 -5.780 -1.145 -1.145 205 1HD LYS 27 2HD LYS 27 -7.874 -1.857 -1.857 206 2HD LYS 27 1HD LYS 27 -8.231 -0.377 -0.377 207 1HE LYS 27 2HE LYS 27 -8.461 0.897 0.897 208 2HE LYS 27 1HE LYS 27 -7.509 -0.224 -0.224 209 1HZ LYS 27 1HZ LYS 27 -9.355 -1.401 -1.401 210 2HZ LYS 27 2HZ LYS 27 -9.827 -1.497 -1.497 211 H CYS 28 H CYS 28 -5.559 3.116 3.116 212 HA CYS 28 HA CYS 28 -5.298 1.997 1.997 213 1HB CYS 28 2HB CYS 28 -5.705 4.483 4.483 214 2HB CYS 28 1HB CYS 28 -7.342 4.115 4.115 215 H TYR 29 H TYR 29 -7.982 2.738 2.738 216 HA TYR 29 HA TYR 29 -10.031 1.328 1.328 217 1HB TYR 29 2HB TYR 29 -8.254 -0.500 -0.500 218 2HB TYR 29 1HB TYR 29 -8.660 -0.117 -0.117 219 HD1 TYR 29 HD2 TYR 29 -11.648 0.353 0.353 220 HD2 TYR 29 HD1 TYR 29 -9.009 -2.807 -2.807 221 HE1 TYR 29 HE2 TYR 29 -13.577 -1.301 -1.301 222 HE2 TYR 29 HE1 TYR 29 -10.947 -4.450 -4.450 223 HH TYR 29 HH TYR 29 -13.016 -4.754 -4.754 224 H VAL 30 H VAL 30 -11.425 2.925 2.925 225 HA VAL 30 HA VAL 30 -12.789 3.971 3.971 226 HB VAL 30 HB VAL 30 -11.977 2.324 2.324 227 1HG1 VAL 30 2HG1 VAL 30 -14.365 3.744 3.744 228 2HG1 VAL 30 3HG1 VAL 30 -14.692 2.169 2.169 229 3HG1 VAL 30 1HG1 VAL 30 -13.828 3.435 3.435 230 1HG2 VAL 30 2HG2 VAL 30 -13.022 1.235 1.235 231 2HG2 VAL 30 3HG2 VAL 30 -11.919 0.503 0.503 232 3HG2 VAL 30 1HG2 VAL 30 -13.666 0.572 0.572 233 H LYS 31 H LYS 31 -10.112 3.025 3.025 234 HA LYS 31 HA LYS 31 -9.962 5.674 5.674 235 1HB LYS 31 2HB LYS 31 -9.117 3.105 3.105 236 2HB LYS 31 1HB LYS 31 -7.645 4.034 4.034 237 1HG LYS 31 2HG LYS 31 -9.302 5.860 5.860 238 2HG LYS 31 1HG LYS 31 -9.822 4.344 4.344 239 1HD LYS 31 2HD LYS 31 -7.337 3.818 3.818 240 2HD LYS 31 1HD LYS 31 -6.987 5.470 5.470 241 1HE LYS 31 2HE LYS 31 -7.176 5.475 5.475 242 2HE LYS 31 1HE LYS 31 -8.624 6.252 6.252 243 1HZ LYS 31 1HZ LYS 31 -8.365 3.645 3.645 244 2HZ LYS 31 2HZ LYS 31 -9.578 4.727 4.727 245 H LYS 32 H LYS 32 -9.792 6.640 6.640 246 HA LYS 32 HA LYS 32 -7.765 6.347 6.347 247 1HB LYS 32 2HB LYS 32 -9.466 7.891 7.891 248 2HB LYS 32 1HB LYS 32 -9.210 8.813 8.813 249 1HG LYS 32 2HG LYS 32 -6.855 9.360 9.360 250 2HG LYS 32 1HG LYS 32 -7.355 8.654 8.654 251 1HD LYS 32 2HD LYS 32 -7.641 11.174 11.174 252 2HD LYS 32 1HD LYS 32 -9.098 10.304 10.304 253 1HE LYS 32 2HE LYS 32 -10.088 10.619 10.619 254 2HE LYS 32 1HE LYS 32 -8.549 10.923 10.923 255 1HZ LYS 32 1HZ LYS 32 -9.248 12.809 12.809 256 2HZ LYS 32 2HZ LYS 32 -10.203 12.873 12.873 257 H CYS 33 H CYS 33 -5.666 7.383 7.383 258 HA CYS 33 HA CYS 33 -4.063 7.166 7.166 259 1HB CYS 33 2HB CYS 33 -2.929 6.665 6.665 260 2HB CYS 33 1HB CYS 33 -3.655 7.970 7.970 261 HA PRO 34 HA PRO 34 -4.441 11.238 11.238 262 1HB PRO 34 2HB PRO 34 -2.241 11.375 11.375 263 2HB PRO 34 1HB PRO 34 -3.738 10.600 10.600 264 1HG PRO 34 2HG PRO 34 -1.186 9.353 9.353 265 2HG PRO 34 1HG PRO 34 -2.526 8.639 8.639 266 1HD PRO 34 2HD PRO 34 -1.885 8.254 8.254 267 2HD PRO 34 1HD PRO 34 -3.288 7.634 7.634 268 H ARG 35 H ARG 35 -1.214 10.394 10.394 269 HA ARG 35 HA ARG 35 -1.231 12.452 12.452 270 1HB ARG 35 2HB ARG 35 0.494 13.967 13.967 271 2HB ARG 35 1HB ARG 35 -0.994 13.970 13.970 272 1HG ARG 35 2HG ARG 35 0.301 11.937 11.937 273 2HG ARG 35 1HG ARG 35 1.693 12.846 12.846 274 1HD ARG 35 2HD ARG 35 0.029 14.861 14.861 275 2HD ARG 35 1HD ARG 35 -0.298 13.539 13.539 276 HE ARG 35 HE ARG 35 1.894 13.698 13.698 277 1HH1 ARG 35 2HH2 ARG 35 1.642 15.571 15.571 278 2HH1 ARG 35 1HH2 ARG 35 3.199 16.308 16.308 279 HH2 ARG 35 1HH ARG 35 4.537 15.764 15.764 280 H ASP 36 H ASP 36 0.608 12.260 12.260 281 HA ASP 36 HA ASP 36 1.749 9.921 9.921 282 1HB ASP 36 2HB ASP 36 2.151 11.609 11.609 283 2HB ASP 36 1HB ASP 36 2.852 12.707 12.707 284 HD2 ASP 36 2HD ASP 36 4.926 10.591 10.591 285 H GLY 37 H GLY 37 3.520 8.716 8.716 286 1HA GLY 37 1HA GLY 37 5.513 8.460 8.460 287 2HA GLY 37 2HA GLY 37 5.291 10.023 10.023 288 H ALA 38 H ALA 38 2.320 9.304 9.304 289 HA ALA 38 HA ALA 38 2.468 8.634 8.634 290 1HB ALA 38 3HB ALA 38 0.321 7.954 7.954 291 2HB ALA 38 1HB ALA 38 0.093 7.869 7.869 292 3HB ALA 38 2HB ALA 38 0.435 9.432 9.432 293 H LYS 39 H LYS 39 3.274 6.915 6.915 294 HA LYS 39 HA LYS 39 4.094 4.592 4.592 295 1HB LYS 39 2HB LYS 39 5.089 5.518 5.518 296 2HB LYS 39 1HB LYS 39 3.651 5.042 5.042 297 1HG LYS 39 2HG LYS 39 4.165 2.657 2.657 298 2HG LYS 39 1HG LYS 39 5.791 3.303 3.303 299 1HD LYS 39 2HD LYS 39 5.398 2.019 2.019 300 2HD LYS 39 1HD LYS 39 5.846 3.685 3.685 301 1HE LYS 39 2HE LYS 39 2.925 3.353 3.353 302 2HE LYS 39 1HE LYS 39 3.577 2.370 2.370 303 1HZ LYS 39 1HZ LYS 39 2.983 4.689 4.689 304 2HZ LYS 39 2HZ LYS 39 4.535 4.321 4.321 305 H CYS 40 H CYS 40 3.266 2.433 2.433 306 HA CYS 40 HA CYS 40 0.650 2.041 2.041 307 1HB CYS 40 2HB CYS 40 -0.166 1.146 1.146 308 2HB CYS 40 1HB CYS 40 -0.264 2.861 2.861 309 H GLU 41 H GLU 41 0.215 -0.247 -0.247 310 HA GLU 41 HA GLU 41 2.518 -1.891 -1.891 311 1HB GLU 41 2HB GLU 41 0.776 -2.838 -2.838 312 2HB GLU 41 1HB GLU 41 2.523 -2.846 -2.846 313 1HG GLU 41 2HG GLU 41 0.751 -0.470 -0.470 314 2HG GLU 41 1HG GLU 41 1.893 -1.288 -1.288 315 HE2 GLU 41 2HE GLU 41 2.405 1.745 1.745 316 H PHE 42 H PHE 42 2.138 -3.708 -3.708 317 HA PHE 42 HA PHE 42 -0.600 -4.118 -4.118 318 1HB PHE 42 2HB PHE 42 1.297 -3.990 -3.990 319 2HB PHE 42 1HB PHE 42 2.149 -5.260 -5.260 320 HD1 PHE 42 2HD PHE 42 -1.158 -4.711 -4.711 321 HD2 PHE 42 1HD PHE 42 2.043 -7.387 -7.387 322 HE1 PHE 42 2HE PHE 42 -2.236 -6.430 -6.430 323 HE2 PHE 42 1HE PHE 42 0.965 -9.105 -9.105 324 HZ PHE 42 HZ PHE 42 -1.162 -8.607 -8.607 325 H ASP 43 H ASP 43 -1.811 -5.347 -5.347 326 HA ASP 43 HA ASP 43 -0.649 -7.305 -7.305 327 1HB ASP 43 2HB ASP 43 -3.026 -5.962 -5.962 328 2HB ASP 43 1HB ASP 43 -3.562 -7.480 -7.480 329 HD1 ASP 43 2HD ASP 43 -1.777 -8.850 -8.850 330 H SER 44 H SER 44 -0.317 -9.517 -9.517 331 HA SER 44 HA SER 44 -1.065 -10.383 -10.383 332 1HB SER 44 2HB SER 44 0.666 -11.974 -11.974 333 2HB SER 44 1HB SER 44 1.311 -10.600 -10.600 334 HG SER 44 HG SER 44 0.050 -12.939 -12.939 335 H TYR 45 H TYR 45 -2.395 -10.375 -10.375 336 HA TYR 45 HA TYR 45 -3.246 -13.084 -13.084 337 1HB TYR 45 2HB TYR 45 -4.268 -12.199 -12.199 338 2HB TYR 45 1HB TYR 45 -2.991 -11.028 -11.028 339 HD1 TYR 45 HD1 TYR 45 -4.068 -9.368 -9.368 340 HD2 TYR 45 HD2 TYR 45 -6.039 -11.025 -11.025 341 HE1 TYR 45 HE1 TYR 45 -5.798 -7.507 -7.507 342 HE2 TYR 45 HE2 TYR 45 -7.763 -9.159 -9.159 343 HH TYR 45 HH TYR 45 -8.549 -7.555 -7.555 344 H LYS 46 H LYS 46 -4.139 -10.493 -10.493 345 HA LYS 46 HA LYS 46 -6.532 -11.960 -11.960 346 1HB LYS 46 2HB LYS 46 -6.519 -9.064 -9.064 347 2HB LYS 46 1HB LYS 46 -7.768 -9.728 -9.728 348 1HG LYS 46 2HG LYS 46 -7.791 -11.641 -11.641 349 2HG LYS 46 1HG LYS 46 -7.182 -10.314 -10.314 350 1HD LYS 46 2HD LYS 46 -9.129 -8.901 -8.901 351 2HD LYS 46 1HD LYS 46 -9.750 -10.274 -10.274 352 1HE LYS 46 2HE LYS 46 -9.185 -11.170 -11.170 353 2HE LYS 46 1HE LYS 46 -10.079 -9.668 -9.668 354 1HZ LYS 46 1HZ LYS 46 -11.697 -10.674 -10.674 355 2HZ LYS 46 2HZ LYS 46 -10.923 -12.099 -12.099 356 H GLY 47 H GLY 47 -4.566 -8.973 -8.973 357 1HA GLY 47 1HA GLY 47 -3.172 -9.092 -9.092 358 2HA GLY 47 2HA GLY 47 -4.546 -9.797 -9.797 359 H LYS 48 H LYS 48 -4.689 -7.131 -7.131 360 HA LYS 48 HA LYS 48 -5.675 -5.410 -5.410 361 1HB LYS 48 2HB LYS 48 -6.634 -5.959 -5.959 362 2HB LYS 48 1HB LYS 48 -6.582 -4.260 -4.260 363 1HG LYS 48 2HG LYS 48 -8.769 -5.282 -5.282 364 2HG LYS 48 1HG LYS 48 -7.933 -4.671 -4.671 365 1HD LYS 48 2HD LYS 48 -8.800 -6.873 -6.873 366 2HD LYS 48 1HD LYS 48 -7.055 -7.000 -7.000 367 1HE LYS 48 2HE LYS 48 -7.145 -8.409 -8.409 368 2HE LYS 48 1HE LYS 48 -8.379 -7.458 -7.458 369 1HZ LYS 48 1HZ LYS 48 -8.761 -9.580 -9.580 370 2HZ LYS 48 2HZ LYS 48 -9.486 -9.419 -9.419 371 H CYS 49 H CYS 49 -5.448 -2.929 -2.929 372 HA CYS 49 HA CYS 49 -2.630 -2.727 -2.727 373 1HB CYS 49 2HB CYS 49 -3.207 -0.364 -0.364 374 2HB CYS 49 1HB CYS 49 -2.278 -1.709 -1.709 375 H TYR 50 H TYR 50 -3.000 -2.417 -2.417 376 HA TYR 50 HA TYR 50 -5.099 -0.829 -0.829 377 1HB TYR 50 2HB TYR 50 -2.536 -2.177 -2.177 378 2HB TYR 50 1HB TYR 50 -3.082 -0.890 -0.890 379 HD1 TYR 50 HD2 TYR 50 -4.034 -4.166 -4.166 380 HD2 TYR 50 HD1 TYR 50 -4.930 -1.201 -1.201 381 HE1 TYR 50 HE2 TYR 50 -5.651 -5.769 -5.769 382 HE2 TYR 50 HE1 TYR 50 -6.544 -2.815 -2.815 383 HH TYR 50 HH TYR 50 -7.050 -6.073 -6.073 384 H CYS 51 H CYS 51 -4.812 1.087 1.087 385 HA CYS 51 HA CYS 51 -2.514 2.723 2.723 386 1HB CYS 51 2HB CYS 51 -4.886 3.738 3.738 387 2HB CYS 51 1HB CYS 51 -3.180 4.046 4.046 Start of MODEL 8 1 H ALA 1 H ALA 1 2.750 -11.402 -11.402 2 HA ALA 1 HA ALA 1 4.419 -10.814 -10.814 3 1HB ALA 1 1HB ALA 1 2.204 -12.412 -12.412 4 2HB ALA 1 2HB ALA 1 3.220 -11.670 -11.670 5 3HB ALA 1 3HB ALA 1 3.957 -12.722 -12.722 6 H THR 2 H THR 2 2.052 -8.688 -8.688 7 HA THR 2 HA THR 2 1.681 -7.385 -7.385 8 HB THR 2 HB THR 2 2.038 -5.904 -5.904 9 HG1 THR 2 1HG THR 2 0.313 -7.115 -7.115 10 1HG2 THR 2 2HG2 THR 2 0.868 -5.199 -5.199 11 2HG2 THR 2 3HG2 THR 2 -0.519 -5.886 -5.886 12 3HG2 THR 2 1HG2 THR 2 0.389 -4.522 -4.522 13 H TYR 3 H TYR 3 2.737 -5.817 -5.817 14 HA TYR 3 HA TYR 3 5.598 -5.679 -5.679 15 1HB TYR 3 2HB TYR 3 3.808 -4.779 -4.779 16 2HB TYR 3 1HB TYR 3 5.560 -4.817 -4.817 17 HD1 TYR 3 HD1 TYR 3 5.429 -7.586 -7.586 18 HD2 TYR 3 HD2 TYR 3 3.839 -6.194 -6.194 19 HE1 TYR 3 HE1 TYR 3 5.351 -9.974 -9.974 20 HE2 TYR 3 HE2 TYR 3 3.767 -8.586 -8.586 21 HH TYR 3 HH TYR 3 4.013 -10.681 -10.681 22 H ASN 4 H ASN 4 6.227 -3.304 -3.304 23 HA ASN 4 HA ASN 4 4.667 -1.245 -1.245 24 1HB ASN 4 2HB ASN 4 7.692 -1.277 -1.277 25 2HB ASN 4 1HB ASN 4 6.520 -0.253 -0.253 26 1HD2 ASN 4 2HD2 ASN 4 5.219 -2.877 -2.877 27 2HD2 ASN 4 1HD2 ASN 4 4.695 -1.585 -1.585 28 H GLY 5 H GLY 5 4.704 0.646 0.646 29 1HA GLY 5 1HA GLY 5 6.878 1.172 1.172 30 2HA GLY 5 2HA GLY 5 5.435 0.589 0.589 31 H LYS 6 H LYS 6 4.692 2.456 2.456 32 HA LYS 6 HA LYS 6 3.730 4.521 4.521 33 1HB LYS 6 2HB LYS 6 5.387 5.165 5.165 34 2HB LYS 6 1HB LYS 6 4.639 6.317 6.317 35 1HG LYS 6 2HG LYS 6 6.047 5.558 5.558 36 2HG LYS 6 1HG LYS 6 6.702 4.253 4.253 37 1HD LYS 6 2HD LYS 6 7.821 5.822 5.822 38 2HD LYS 6 1HD LYS 6 6.997 7.189 7.189 39 1HE LYS 6 2HE LYS 6 8.415 5.615 5.615 40 2HE LYS 6 1HE LYS 6 9.506 6.131 6.131 41 1HZ LYS 6 1HZ LYS 6 7.750 8.248 8.248 42 2HZ LYS 6 2HZ LYS 6 8.585 7.701 7.701 43 H CYS 7 H CYS 7 2.155 6.014 6.014 44 HA CYS 7 HA CYS 7 0.948 4.641 4.641 45 1HB CYS 7 2HB CYS 7 -1.317 5.227 5.227 46 2HB CYS 7 1HB CYS 7 -0.470 3.761 3.761 47 H TYR 8 H TYR 8 -0.494 6.144 6.144 48 HA TYR 8 HA TYR 8 0.257 8.947 8.947 49 1HB TYR 8 2HB TYR 8 -0.438 7.356 7.356 50 2HB TYR 8 1HB TYR 8 -0.051 9.065 9.065 51 HD1 TYR 8 HD1 TYR 8 2.297 9.444 9.444 52 HD2 TYR 8 HD2 TYR 8 1.262 6.058 6.058 53 HE1 TYR 8 HE1 TYR 8 4.760 8.881 8.881 54 HE2 TYR 8 HE2 TYR 8 3.729 5.507 5.507 55 HH TYR 8 HH TYR 8 5.889 6.843 6.843 56 H LYS 9 H LYS 9 -1.353 10.499 10.499 57 HA LYS 9 HA LYS 9 -4.026 9.507 9.507 58 1HB LYS 9 2HB LYS 9 -4.558 11.803 11.803 59 2HB LYS 9 1HB LYS 9 -3.164 11.212 11.212 60 1HG LYS 9 2HG LYS 9 -2.336 13.278 13.278 61 2HG LYS 9 1HG LYS 9 -1.806 12.310 12.310 62 1HD LYS 9 2HD LYS 9 -2.863 13.993 13.993 63 2HD LYS 9 1HD LYS 9 -4.247 12.944 12.944 64 1HE LYS 9 2HE LYS 9 -5.303 14.490 14.490 65 2HE LYS 9 1HE LYS 9 -3.905 14.667 14.667 66 1HZ LYS 9 1HZ LYS 9 -4.744 16.606 16.606 67 2HZ LYS 9 2HZ LYS 9 -3.181 16.468 16.468 68 H LYS 10 H LYS 10 -2.235 11.682 11.682 69 HA LYS 10 HA LYS 10 -4.369 12.316 12.316 70 1HB LYS 10 2HB LYS 10 -1.727 12.948 12.948 71 2HB LYS 10 1HB LYS 10 -1.745 11.904 11.904 72 1HG LYS 10 2HG LYS 10 -3.396 13.268 13.268 73 2HG LYS 10 1HG LYS 10 -3.772 14.151 14.151 74 1HD LYS 10 2HD LYS 10 -1.194 14.811 14.811 75 2HD LYS 10 1HD LYS 10 -1.319 14.368 14.368 76 1HE LYS 10 2HE LYS 10 -3.066 16.018 16.018 77 2HE LYS 10 1HE LYS 10 -3.258 16.318 16.318 78 1HZ LYS 10 1HZ LYS 10 -1.196 17.304 17.304 79 2HZ LYS 10 2HZ LYS 10 -1.816 18.001 18.001 80 H ASP 11 H ASP 11 -2.173 9.453 9.453 81 HA ASP 11 HA ASP 11 -3.658 8.399 8.399 82 1HB ASP 11 2HB ASP 11 -1.147 7.699 7.699 83 2HB ASP 11 1HB ASP 11 -1.991 6.368 6.368 84 HD2 ASP 11 2HD ASP 11 0.248 9.006 9.006 85 H ASN 12 H ASN 12 -3.737 8.445 8.445 86 HA ASN 12 HA ASN 12 -4.696 7.253 7.253 87 1HB ASN 12 2HB ASN 12 -6.772 7.979 7.979 88 2HB ASN 12 1HB ASN 12 -6.620 6.845 6.845 89 1HD2 ASN 12 2HD2 ASN 12 -7.222 5.044 5.044 90 2HD2 ASN 12 1HD2 ASN 12 -5.951 6.188 6.188 91 H ILE 13 H ILE 13 -2.570 5.802 5.802 92 HA ILE 13 HA ILE 13 -3.608 3.072 3.072 93 HB ILE 13 HB ILE 13 -1.880 2.439 2.439 94 1HG1 ILE 13 2HG1 ILE 13 -0.910 4.336 4.336 95 2HG1 ILE 13 3HG1 ILE 13 -1.368 5.418 5.418 96 1HG2 ILE 13 2HG2 ILE 13 -4.344 3.707 3.707 97 2HG2 ILE 13 3HG2 ILE 13 -3.217 4.371 4.371 98 3HG2 ILE 13 1HG2 ILE 13 -3.455 2.612 2.612 99 1HD1 ILE 13 1HD1 ILE 13 0.025 3.031 3.031 100 2HD1 ILE 13 2HD1 ILE 13 1.008 3.950 3.950 101 3HD1 ILE 13 3HD1 ILE 13 0.372 4.753 4.753 102 H CYS 14 H CYS 14 -1.569 1.522 1.522 103 HA CYS 14 HA CYS 14 0.106 2.836 2.836 104 1HB CYS 14 2HB CYS 14 -1.350 1.764 1.764 105 2HB CYS 14 1HB CYS 14 -1.647 0.440 0.440 106 H LYS 15 H LYS 15 2.254 2.518 2.518 107 HA LYS 15 HA LYS 15 2.882 0.208 0.208 108 1HB LYS 15 2HB LYS 15 4.427 1.475 1.475 109 2HB LYS 15 1HB LYS 15 3.085 2.581 2.581 110 1HG LYS 15 2HG LYS 15 4.202 3.732 3.732 111 2HG LYS 15 1HG LYS 15 5.442 2.498 2.498 112 1HD LYS 15 2HD LYS 15 5.731 3.221 3.221 113 2HD LYS 15 1HD LYS 15 5.151 4.737 4.737 114 1HE LYS 15 2HE LYS 15 7.635 4.614 4.614 115 2HE LYS 15 1HE LYS 15 6.959 4.745 4.745 116 1HZ LYS 15 1HZ LYS 15 8.580 2.691 2.691 117 2HZ LYS 15 2HZ LYS 15 7.943 2.807 2.807 118 H TYR 16 H TYR 16 4.530 -1.164 -1.164 119 HA TYR 16 HA TYR 16 6.321 -0.386 -0.386 120 1HB TYR 16 2HB TYR 16 5.448 -2.365 -2.365 121 2HB TYR 16 1HB TYR 16 4.353 -0.999 -0.999 122 HD1 TYR 16 HD1 TYR 16 2.617 -1.129 -1.129 123 HD2 TYR 16 HD2 TYR 16 4.559 -4.483 -4.483 124 HE1 TYR 16 HE1 TYR 16 0.777 -2.663 -2.663 125 HE2 TYR 16 HE2 TYR 16 2.713 -6.006 -6.006 126 HH TYR 16 HH TYR 16 0.921 -6.161 -6.161 127 H LYS 17 H LYS 17 7.911 -2.151 -2.151 128 HA LYS 17 HA LYS 17 8.394 -3.639 -3.639 129 1HB LYS 17 2HB LYS 17 10.008 -2.533 -2.533 130 2HB LYS 17 1HB LYS 17 10.511 -4.134 -4.134 131 1HG LYS 17 2HG LYS 17 10.631 -3.372 -3.372 132 2HG LYS 17 1HG LYS 17 10.069 -1.780 -1.780 133 1HD LYS 17 2HD LYS 17 12.307 -2.441 -2.441 134 2HD LYS 17 1HD LYS 17 12.767 -2.814 -2.814 135 1HE LYS 17 2HE LYS 17 11.871 -0.481 -0.481 136 2HE LYS 17 1HE LYS 17 11.750 -0.143 -0.143 137 1HZ LYS 17 1HZ LYS 17 14.195 -0.820 -0.820 138 2HZ LYS 17 2HZ LYS 17 14.213 -0.722 -0.722 139 H ALA 18 H ALA 18 7.221 -5.499 -5.499 140 HA ALA 18 HA ALA 18 6.151 -6.941 -6.941 141 1HB ALA 18 3HB ALA 18 5.979 -7.145 -7.145 142 2HB ALA 18 1HB ALA 18 7.329 -8.294 -8.294 143 3HB ALA 18 2HB ALA 18 5.785 -8.612 -8.612 144 H GLN 19 H GLN 19 6.783 -9.093 -9.093 145 HA GLN 19 HA GLN 19 9.174 -8.897 -8.897 146 1HB GLN 19 2HB GLN 19 6.939 -10.635 -10.635 147 2HB GLN 19 1HB GLN 19 8.320 -11.679 -11.679 148 1HG GLN 19 2HG GLN 19 9.451 -10.479 -10.479 149 2HG GLN 19 1HG GLN 19 7.893 -9.747 -9.747 150 1HE2 GLN 19 2HE2 GLN 19 7.039 -12.408 -12.408 151 2HE2 GLN 19 1HE2 GLN 19 7.243 -10.705 -10.705 152 H SER 20 H SER 20 8.420 -10.175 -10.175 153 HA SER 20 HA SER 20 11.213 -10.992 -10.992 154 1HB SER 20 2HB SER 20 10.062 -12.458 -12.458 155 2HB SER 20 1HB SER 20 10.312 -13.065 -13.065 156 HG SER 20 HG SER 20 8.162 -12.685 -12.685 157 H GLY 21 H GLY 21 9.513 -8.431 -8.431 158 1HA GLY 21 1HA GLY 21 9.636 -6.760 -6.760 159 2HA GLY 21 2HA GLY 21 10.883 -7.655 -7.655 160 H LYS 22 H LYS 22 8.134 -9.648 -9.648 161 HA LYS 22 HA LYS 22 7.584 -9.618 -9.618 162 1HB LYS 22 2HB LYS 22 7.467 -11.608 -11.608 163 2HB LYS 22 1HB LYS 22 5.994 -10.936 -10.936 164 1HG LYS 22 2HG LYS 22 5.356 -10.776 -10.776 165 2HG LYS 22 1HG LYS 22 6.483 -12.116 -12.116 166 1HD LYS 22 2HD LYS 22 5.022 -12.919 -12.919 167 2HD LYS 22 1HD LYS 22 3.800 -11.966 -11.966 168 1HE LYS 22 2HE LYS 22 4.715 -13.343 -13.343 169 2HE LYS 22 1HE LYS 22 5.159 -14.496 -14.496 170 1HZ LYS 22 1HZ LYS 22 2.582 -13.698 -13.698 171 2HZ LYS 22 2HZ LYS 22 2.565 -13.911 -13.911 172 H THR 23 H THR 23 5.407 -8.931 -8.931 173 HA THR 23 HA THR 23 3.381 -7.770 -7.770 174 HB THR 23 HB THR 23 3.989 -8.337 -8.337 175 HG1 THR 23 1HG THR 23 1.837 -8.458 -8.458 176 1HG2 THR 23 1HG2 THR 23 4.695 -5.674 -5.674 177 2HG2 THR 23 2HG2 THR 23 2.947 -5.538 -5.538 178 3HG2 THR 23 3HG2 THR 23 3.989 -6.393 -6.393 179 H ALA 24 H ALA 24 2.827 -5.233 -5.233 180 HA ALA 24 HA ALA 24 4.901 -3.404 -3.404 181 1HB ALA 24 2HB ALA 24 4.523 -4.671 -4.671 182 2HB ALA 24 3HB ALA 24 3.612 -3.150 -3.150 183 3HB ALA 24 1HB ALA 24 5.339 -3.112 -3.112 184 H ILE 25 H ILE 25 3.394 -1.462 -1.462 185 HA ILE 25 HA ILE 25 1.812 -0.332 -0.332 186 HB ILE 25 HB ILE 25 1.361 -0.023 -0.023 187 1HG1 ILE 25 2HG1 ILE 25 3.781 0.531 0.531 188 2HG1 ILE 25 3HG1 ILE 25 3.586 0.318 0.318 189 1HG2 ILE 25 1HG2 ILE 25 -0.206 1.144 1.144 190 2HG2 ILE 25 2HG2 ILE 25 1.162 1.942 1.942 191 3HG2 ILE 25 3HG2 ILE 25 0.825 2.279 2.279 192 1HD1 ILE 25 1HD1 ILE 25 2.606 2.622 2.622 193 2HD1 ILE 25 2HD1 ILE 25 2.884 2.833 2.833 194 3HD1 ILE 25 3HD1 ILE 25 4.266 2.631 2.631 195 H CYS 26 H CYS 26 -0.295 -0.504 -0.504 196 HA CYS 26 HA CYS 26 -2.046 -2.236 -2.236 197 1HB CYS 26 2HB CYS 26 -1.138 -3.788 -3.788 198 2HB CYS 26 1HB CYS 26 -1.288 -2.668 -2.668 199 H LYS 27 H LYS 27 -3.727 -0.847 -0.847 200 HA LYS 27 HA LYS 27 -4.284 1.536 1.536 201 1HB LYS 27 2HB LYS 27 -6.478 -0.488 -0.488 202 2HB LYS 27 1HB LYS 27 -6.559 1.250 1.250 203 1HG LYS 27 2HG LYS 27 -4.433 0.752 0.752 204 2HG LYS 27 1HG LYS 27 -5.223 -0.807 -0.807 205 1HD LYS 27 2HD LYS 27 -6.283 0.345 0.345 206 2HD LYS 27 1HD LYS 27 -7.412 0.628 0.628 207 1HE LYS 27 2HE LYS 27 -6.370 2.836 2.836 208 2HE LYS 27 1HE LYS 27 -5.170 2.551 2.551 209 1HZ LYS 27 1HZ LYS 27 -7.450 2.167 2.167 210 2HZ LYS 27 2HZ LYS 27 -7.953 3.296 3.296 211 H CYS 28 H CYS 28 -5.482 2.522 2.522 212 HA CYS 28 HA CYS 28 -5.286 1.029 1.029 213 1HB CYS 28 2HB CYS 28 -5.455 3.827 3.827 214 2HB CYS 28 1HB CYS 28 -6.511 3.466 3.466 215 H TYR 29 H TYR 29 -7.491 2.077 2.077 216 HA TYR 29 HA TYR 29 -9.840 1.225 1.225 217 1HB TYR 29 2HB TYR 29 -8.505 -0.492 -0.492 218 2HB TYR 29 1HB TYR 29 -9.354 0.399 0.399 219 HD1 TYR 29 HD2 TYR 29 -11.683 0.722 0.722 220 HD2 TYR 29 HD1 TYR 29 -9.816 -2.442 -2.442 221 HE1 TYR 29 HE2 TYR 29 -13.732 -0.741 -0.741 222 HE2 TYR 29 HE1 TYR 29 -11.872 -3.894 -3.894 223 HH TYR 29 HH TYR 29 -14.382 -3.388 -3.388 224 H VAL 30 H VAL 30 -11.359 1.184 1.184 225 HA VAL 30 HA VAL 30 -12.359 3.730 3.730 226 HB VAL 30 HB VAL 30 -12.274 1.969 1.969 227 1HG1 VAL 30 2HG1 VAL 30 -13.424 4.409 4.409 228 2HG1 VAL 30 3HG1 VAL 30 -14.755 3.350 3.350 229 3HG1 VAL 30 1HG1 VAL 30 -14.044 3.151 3.151 230 1HG2 VAL 30 3HG2 VAL 30 -13.422 1.424 1.424 231 2HG2 VAL 30 1HG2 VAL 30 -13.068 0.318 0.318 232 3HG2 VAL 30 2HG2 VAL 30 -14.579 1.259 1.259 233 H LYS 31 H LYS 31 -9.466 2.463 2.463 234 HA LYS 31 HA LYS 31 -9.181 4.867 4.867 235 1HB LYS 31 2HB LYS 31 -7.955 2.174 2.174 236 2HB LYS 31 1HB LYS 31 -6.861 3.473 3.473 237 1HG LYS 31 2HG LYS 31 -9.516 3.614 3.614 238 2HG LYS 31 1HG LYS 31 -8.566 2.203 2.203 239 1HD LYS 31 2HD LYS 31 -6.626 3.687 3.687 240 2HD LYS 31 1HD LYS 31 -7.586 5.094 5.094 241 1HE LYS 31 2HE LYS 31 -9.185 4.612 4.612 242 2HE LYS 31 1HE LYS 31 -8.412 3.076 3.076 243 1HZ LYS 31 1HZ LYS 31 -7.004 4.158 4.158 244 2HZ LYS 31 2HZ LYS 31 -6.450 5.082 5.082 245 H LYS 32 H LYS 32 -9.390 5.882 5.882 246 HA LYS 32 HA LYS 32 -7.450 5.850 5.850 247 1HB LYS 32 2HB LYS 32 -9.206 7.265 7.265 248 2HB LYS 32 1HB LYS 32 -9.183 8.027 8.027 249 1HG LYS 32 2HG LYS 32 -7.026 9.159 9.159 250 2HG LYS 32 1HG LYS 32 -7.050 8.398 8.398 251 1HD LYS 32 2HD LYS 32 -8.996 10.467 10.467 252 2HD LYS 32 1HD LYS 32 -7.943 10.621 10.621 253 1HE LYS 32 2HE LYS 32 -9.320 8.493 8.493 254 2HE LYS 32 1HE LYS 32 -10.522 9.067 9.067 255 1HZ LYS 32 1HZ LYS 32 -10.999 10.192 10.192 256 2HZ LYS 32 2HZ LYS 32 -10.188 11.323 11.323 257 H CYS 33 H CYS 33 -5.486 7.108 7.108 258 HA CYS 33 HA CYS 33 -3.764 7.011 7.011 259 1HB CYS 33 2HB CYS 33 -2.789 6.516 6.516 260 2HB CYS 33 1HB CYS 33 -3.487 7.916 7.916 261 HA PRO 34 HA PRO 34 -4.452 11.079 11.079 262 1HB PRO 34 2HB PRO 34 -2.301 11.364 11.364 263 2HB PRO 34 1HB PRO 34 -3.767 10.524 10.524 264 1HG PRO 34 2HG PRO 34 -1.136 9.393 9.393 265 2HG PRO 34 1HG PRO 34 -2.457 8.630 8.630 266 1HD PRO 34 2HD PRO 34 -1.733 8.219 8.219 267 2HD PRO 34 1HD PRO 34 -3.122 7.545 7.545 268 H ARG 35 H ARG 35 -1.149 10.389 10.389 269 HA ARG 35 HA ARG 35 -1.262 12.481 12.481 270 1HB ARG 35 2HB ARG 35 0.523 13.939 13.939 271 2HB ARG 35 1HB ARG 35 -0.961 13.946 13.946 272 1HG ARG 35 2HG ARG 35 0.258 11.882 11.882 273 2HG ARG 35 1HG ARG 35 1.696 12.695 12.695 274 1HD ARG 35 2HD ARG 35 0.199 14.821 14.821 275 2HD ARG 35 1HD ARG 35 -0.206 13.529 13.529 276 HE ARG 35 HE ARG 35 2.015 13.509 13.509 277 1HH1 ARG 35 2HH2 ARG 35 1.814 15.470 15.470 278 2HH1 ARG 35 1HH2 ARG 35 3.414 16.111 16.111 279 HH2 ARG 35 1HH ARG 35 4.756 15.442 15.442 280 H ASP 36 H ASP 36 0.456 12.256 12.256 281 HA ASP 36 HA ASP 36 1.601 9.963 9.963 282 1HB ASP 36 2HB ASP 36 2.073 11.550 11.550 283 2HB ASP 36 1HB ASP 36 2.529 12.778 12.778 284 HD1 ASP 36 2HD ASP 36 5.533 12.442 12.442 285 H GLY 37 H GLY 37 3.327 8.685 8.685 286 1HA GLY 37 1HA GLY 37 5.340 8.326 8.326 287 2HA GLY 37 2HA GLY 37 5.232 9.901 9.901 288 H ALA 38 H ALA 38 2.235 9.292 9.292 289 HA ALA 38 HA ALA 38 2.428 8.678 8.678 290 1HB ALA 38 2HB ALA 38 0.241 8.009 8.009 291 2HB ALA 38 3HB ALA 38 0.036 7.885 7.885 292 3HB ALA 38 1HB ALA 38 0.375 9.465 9.465 293 H LYS 39 H LYS 39 3.188 6.972 6.972 294 HA LYS 39 HA LYS 39 3.938 4.591 4.591 295 1HB LYS 39 2HB LYS 39 5.104 5.538 5.538 296 2HB LYS 39 1HB LYS 39 3.702 5.218 5.218 297 1HG LYS 39 2HG LYS 39 4.668 2.872 2.872 298 2HG LYS 39 1HG LYS 39 5.797 3.457 3.457 299 1HD LYS 39 2HD LYS 39 2.876 3.012 3.012 300 2HD LYS 39 1HD LYS 39 4.005 1.671 1.671 301 1HE LYS 39 2HE LYS 39 4.479 2.289 2.289 302 2HE LYS 39 1HE LYS 39 5.429 3.575 3.575 303 1HZ LYS 39 1HZ LYS 39 3.715 4.331 4.331 304 2HZ LYS 39 2HZ LYS 39 3.581 5.067 5.067 305 H CYS 40 H CYS 40 3.058 2.471 2.471 306 HA CYS 40 HA CYS 40 0.539 2.143 2.143 307 1HB CYS 40 2HB CYS 40 -0.473 1.247 1.247 308 2HB CYS 40 1HB CYS 40 -0.543 2.957 2.957 309 H GLU 41 H GLU 41 -0.105 -0.213 -0.213 310 HA GLU 41 HA GLU 41 2.222 -1.852 -1.852 311 1HB GLU 41 2HB GLU 41 0.240 -2.633 -2.633 312 2HB GLU 41 1HB GLU 41 1.909 -3.133 -3.133 313 1HG GLU 41 2HG GLU 41 2.705 -0.881 -0.881 314 2HG GLU 41 1HG GLU 41 1.062 -0.274 -0.274 315 HE1 GLU 41 2HE GLU 41 2.513 -2.354 -2.354 316 H PHE 42 H PHE 42 1.859 -3.820 -3.820 317 HA PHE 42 HA PHE 42 -0.825 -4.048 -4.048 318 1HB PHE 42 2HB PHE 42 1.151 -3.924 -3.924 319 2HB PHE 42 1HB PHE 42 1.946 -5.216 -5.216 320 HD1 PHE 42 2HD PHE 42 -1.143 -4.541 -4.541 321 HD2 PHE 42 1HD PHE 42 1.758 -7.394 -7.394 322 HE1 PHE 42 2HE PHE 42 -2.149 -6.224 -6.224 323 HE2 PHE 42 1HE PHE 42 0.753 -9.077 -9.077 324 HZ PHE 42 HZ PHE 42 -1.189 -8.472 -8.472 325 H ASP 43 H ASP 43 -2.139 -5.277 -5.277 326 HA ASP 43 HA ASP 43 -1.179 -7.261 -7.261 327 1HB ASP 43 2HB ASP 43 -3.507 -5.973 -5.973 328 2HB ASP 43 1HB ASP 43 -3.979 -7.334 -7.334 329 HD2 ASP 43 2HD ASP 43 -5.281 -8.633 -8.633 330 H SER 44 H SER 44 -0.500 -9.348 -9.348 331 HA SER 44 HA SER 44 -1.020 -10.254 -10.254 332 1HB SER 44 2HB SER 44 0.782 -11.750 -11.750 333 2HB SER 44 1HB SER 44 1.270 -10.333 -10.333 334 HG SER 44 HG SER 44 0.071 -12.739 -12.739 335 H TYR 45 H TYR 45 -3.080 -10.147 -10.147 336 HA TYR 45 HA TYR 45 -3.717 -13.017 -13.017 337 1HB TYR 45 2HB TYR 45 -5.058 -10.886 -10.886 338 2HB TYR 45 1HB TYR 45 -4.628 -12.522 -12.522 339 HD1 TYR 45 HD1 TYR 45 -1.683 -12.402 -12.402 340 HD2 TYR 45 HD2 TYR 45 -4.136 -9.708 -9.708 341 HE1 TYR 45 HE1 TYR 45 0.375 -11.518 -11.518 342 HE2 TYR 45 HE2 TYR 45 -2.069 -8.833 -8.833 343 HH TYR 45 HH TYR 45 0.366 -10.036 -10.036 344 H LYS 46 H LYS 46 -4.697 -9.818 -9.818 345 HA LYS 46 HA LYS 46 -7.115 -11.046 -11.046 346 1HB LYS 46 2HB LYS 46 -7.121 -8.237 -8.237 347 2HB LYS 46 1HB LYS 46 -8.486 -9.216 -9.216 348 1HG LYS 46 2HG LYS 46 -7.364 -10.855 -10.855 349 2HG LYS 46 1HG LYS 46 -6.937 -9.279 -9.279 350 1HD LYS 46 2HD LYS 46 -9.705 -9.259 -9.259 351 2HD LYS 46 1HD LYS 46 -9.460 -10.590 -10.590 352 1HE LYS 46 2HE LYS 46 -8.393 -7.835 -7.835 353 2HE LYS 46 1HE LYS 46 -10.089 -8.198 -8.198 354 1HZ LYS 46 1HZ LYS 46 -8.572 -10.327 -10.327 355 2HZ LYS 46 2HZ LYS 46 -7.946 -8.947 -8.947 356 H GLY 47 H GLY 47 -4.811 -8.253 -8.253 357 1HA GLY 47 1HA GLY 47 -3.586 -7.951 -7.951 358 2HA GLY 47 2HA GLY 47 -5.078 -8.256 -8.256 359 H LYS 48 H LYS 48 -5.747 -6.547 -6.547 360 HA LYS 48 HA LYS 48 -6.336 -4.178 -4.178 361 1HB LYS 48 2HB LYS 48 -6.919 -5.205 -5.205 362 2HB LYS 48 1HB LYS 48 -7.019 -3.478 -3.478 363 1HG LYS 48 2HG LYS 48 -9.151 -3.955 -3.955 364 2HG LYS 48 1HG LYS 48 -8.370 -4.373 -4.373 365 1HD LYS 48 2HD LYS 48 -9.737 -6.261 -6.261 366 2HD LYS 48 1HD LYS 48 -8.115 -6.765 -6.765 367 1HE LYS 48 2HE LYS 48 -9.326 -7.424 -7.424 368 2HE LYS 48 1HE LYS 48 -8.723 -5.857 -5.857 369 1HZ LYS 48 1HZ LYS 48 -11.353 -6.581 -6.581 370 2HZ LYS 48 2HZ LYS 48 -10.815 -5.050 -5.050 371 H CYS 49 H CYS 49 -5.287 -2.202 -2.202 372 HA CYS 49 HA CYS 49 -2.628 -2.315 -2.315 373 1HB CYS 49 2HB CYS 49 -3.960 -0.250 -0.250 374 2HB CYS 49 1HB CYS 49 -2.293 -0.190 -0.190 375 H TYR 50 H TYR 50 -2.870 -2.042 -2.042 376 HA TYR 50 HA TYR 50 -4.725 -0.344 -0.344 377 1HB TYR 50 2HB TYR 50 -2.055 -1.670 -1.670 378 2HB TYR 50 1HB TYR 50 -2.679 -0.515 -0.515 379 HD1 TYR 50 HD2 TYR 50 -3.766 -3.557 -3.557 380 HD2 TYR 50 HD1 TYR 50 -4.097 -1.266 -1.266 381 HE1 TYR 50 HE2 TYR 50 -5.225 -5.368 -5.368 382 HE2 TYR 50 HE1 TYR 50 -5.555 -3.085 -3.085 383 HH TYR 50 HH TYR 50 -6.473 -5.933 -5.933 384 H CYS 51 H CYS 51 -4.851 1.787 1.787 385 HA CYS 51 HA CYS 51 -2.339 3.275 3.275 386 1HB CYS 51 2HB CYS 51 -4.709 4.710 4.710 387 2HB CYS 51 1HB CYS 51 -3.143 4.511 4.511 Start of MODEL 9 1 H ALA 1 H ALA 1 1.572 -10.914 -10.914 2 HA ALA 1 HA ALA 1 4.437 -10.723 -10.723 3 1HB ALA 1 1HB ALA 1 2.510 -12.670 -12.670 4 2HB ALA 1 2HB ALA 1 3.023 -11.668 -11.668 5 3HB ALA 1 3HB ALA 1 4.237 -12.534 -12.534 6 H THR 2 H THR 2 2.792 -8.533 -8.533 7 HA THR 2 HA THR 2 1.788 -7.318 -7.318 8 HB THR 2 HB THR 2 2.198 -5.861 -5.861 9 HG1 THR 2 1HG THR 2 1.224 -7.631 -7.631 10 1HG2 THR 2 2HG2 THR 2 0.619 -5.486 -5.486 11 2HG2 THR 2 3HG2 THR 2 -0.513 -6.053 -6.053 12 3HG2 THR 2 1HG2 THR 2 0.471 -4.597 -4.597 13 H TYR 3 H TYR 3 2.744 -5.830 -5.830 14 HA TYR 3 HA TYR 3 5.585 -5.435 -5.435 15 1HB TYR 3 2HB TYR 3 3.700 -4.519 -4.519 16 2HB TYR 3 1HB TYR 3 5.442 -4.670 -4.670 17 HD1 TYR 3 HD1 TYR 3 5.530 -7.410 -7.410 18 HD2 TYR 3 HD2 TYR 3 3.226 -5.945 -5.945 19 HE1 TYR 3 HE1 TYR 3 5.262 -9.781 -9.781 20 HE2 TYR 3 HE2 TYR 3 2.966 -8.321 -8.321 21 HH TYR 3 HH TYR 3 3.073 -10.511 -10.511 22 H ASN 4 H ASN 4 6.174 -3.053 -3.053 23 HA ASN 4 HA ASN 4 4.436 -1.055 -1.055 24 1HB ASN 4 2HB ASN 4 7.211 -1.654 -1.654 25 2HB ASN 4 1HB ASN 4 6.626 -0.002 -0.002 26 1HD2 ASN 4 2HD2 ASN 4 4.888 -2.929 -2.929 27 2HD2 ASN 4 1HD2 ASN 4 5.826 -3.314 -3.314 28 H GLY 5 H GLY 5 4.793 0.994 0.994 29 1HA GLY 5 1HA GLY 5 7.149 1.526 1.526 30 2HA GLY 5 2HA GLY 5 5.847 0.968 0.968 31 H LYS 6 H LYS 6 4.892 2.699 2.699 32 HA LYS 6 HA LYS 6 3.941 4.833 4.833 33 1HB LYS 6 2HB LYS 6 5.365 5.551 5.551 34 2HB LYS 6 1HB LYS 6 4.906 6.590 6.590 35 1HG LYS 6 2HG LYS 6 6.577 5.567 5.567 36 2HG LYS 6 1HG LYS 6 6.933 4.326 4.326 37 1HD LYS 6 2HD LYS 6 7.769 6.069 6.069 38 2HD LYS 6 1HD LYS 6 7.399 7.318 7.318 39 1HE LYS 6 2HE LYS 6 9.067 5.122 5.122 40 2HE LYS 6 1HE LYS 6 9.835 5.988 5.988 41 1HZ LYS 6 1HZ LYS 6 8.631 7.868 7.868 42 2HZ LYS 6 2HZ LYS 6 9.517 6.862 6.862 43 H CYS 7 H CYS 7 2.364 6.284 6.284 44 HA CYS 7 HA CYS 7 1.155 4.832 4.832 45 1HB CYS 7 2HB CYS 7 -1.122 5.311 5.311 46 2HB CYS 7 1HB CYS 7 -0.204 3.890 3.890 47 H TYR 8 H TYR 8 -0.223 6.270 6.270 48 HA TYR 8 HA TYR 8 0.331 9.106 9.106 49 1HB TYR 8 2HB TYR 8 -0.157 7.485 7.485 50 2HB TYR 8 1HB TYR 8 0.097 9.219 9.219 51 HD1 TYR 8 HD2 TYR 8 2.216 8.430 8.430 52 HD2 TYR 8 HD1 TYR 8 1.803 7.670 7.670 53 HE1 TYR 8 HE2 TYR 8 4.725 8.063 8.063 54 HE2 TYR 8 HE1 TYR 8 4.313 7.306 7.306 55 HH TYR 8 HH TYR 8 6.382 7.610 7.610 56 H LYS 9 H LYS 9 -1.363 10.561 10.561 57 HA LYS 9 HA LYS 9 -3.984 9.426 9.426 58 1HB LYS 9 2HB LYS 9 -4.667 11.679 11.679 59 2HB LYS 9 1HB LYS 9 -3.261 11.177 11.177 60 1HG LYS 9 2HG LYS 9 -2.572 13.305 13.305 61 2HG LYS 9 1HG LYS 9 -1.912 12.364 12.364 62 1HD LYS 9 2HD LYS 9 -3.037 13.918 13.918 63 2HD LYS 9 1HD LYS 9 -4.376 12.814 12.814 64 1HE LYS 9 2HE LYS 9 -5.523 14.317 14.317 65 2HE LYS 9 1HE LYS 9 -4.118 14.679 14.679 66 1HZ LYS 9 1HZ LYS 9 -3.621 15.813 15.813 67 2HZ LYS 9 2HZ LYS 9 -5.173 16.186 16.186 68 H LYS 10 H LYS 10 -2.231 11.698 11.698 69 HA LYS 10 HA LYS 10 -4.338 12.218 12.218 70 1HB LYS 10 2HB LYS 10 -1.735 12.991 12.991 71 2HB LYS 10 1HB LYS 10 -1.653 11.959 11.959 72 1HG LYS 10 2HG LYS 10 -3.299 13.252 13.252 73 2HG LYS 10 1HG LYS 10 -3.830 14.066 14.066 74 1HD LYS 10 2HD LYS 10 -1.643 15.232 15.232 75 2HD LYS 10 1HD LYS 10 -1.049 14.373 14.373 76 1HE LYS 10 2HE LYS 10 -3.530 16.151 16.151 77 2HE LYS 10 1HE LYS 10 -1.921 16.752 16.752 78 1HZ LYS 10 1HZ LYS 10 -3.624 15.187 15.187 79 2HZ LYS 10 2HZ LYS 10 -2.285 16.018 16.018 80 H ASP 11 H ASP 11 -1.963 9.497 9.497 81 HA ASP 11 HA ASP 11 -3.323 8.362 8.362 82 1HB ASP 11 2HB ASP 11 -0.853 7.700 7.700 83 2HB ASP 11 1HB ASP 11 -1.570 6.442 6.442 84 HD1 ASP 11 2HD ASP 11 -0.774 9.933 9.933 85 H ASN 12 H ASN 12 -3.608 8.444 8.444 86 HA ASN 12 HA ASN 12 -4.450 7.131 7.131 87 1HB ASN 12 2HB ASN 12 -6.540 7.842 7.842 88 2HB ASN 12 1HB ASN 12 -6.362 6.746 6.746 89 1HD2 ASN 12 2HD2 ASN 12 -6.944 4.861 4.861 90 2HD2 ASN 12 1HD2 ASN 12 -5.708 6.050 6.050 91 H ILE 13 H ILE 13 -2.358 5.698 5.698 92 HA ILE 13 HA ILE 13 -3.328 2.977 2.977 93 HB ILE 13 HB ILE 13 -1.137 2.623 2.623 94 1HG1 ILE 13 2HG1 ILE 13 -0.848 4.672 4.672 95 2HG1 ILE 13 3HG1 ILE 13 -1.586 5.593 5.593 96 1HG2 ILE 13 1HG2 ILE 13 -3.860 3.421 3.421 97 2HG2 ILE 13 2HG2 ILE 13 -2.625 3.562 3.562 98 3HG2 ILE 13 3HG2 ILE 13 -2.888 2.002 2.002 99 1HD1 ILE 13 1HD1 ILE 13 0.146 4.727 4.727 100 2HD1 ILE 13 2HD1 ILE 13 0.913 3.855 3.855 101 3HD1 ILE 13 3HD1 ILE 13 0.862 5.634 5.634 102 H CYS 14 H CYS 14 -1.260 1.448 1.448 103 HA CYS 14 HA CYS 14 0.136 2.662 2.662 104 1HB CYS 14 2HB CYS 14 -1.829 0.587 0.587 105 2HB CYS 14 1HB CYS 14 -0.276 -0.106 -0.106 106 H LYS 15 H LYS 15 2.272 2.680 2.680 107 HA LYS 15 HA LYS 15 3.185 0.511 0.511 108 1HB LYS 15 2HB LYS 15 4.510 3.159 3.159 109 2HB LYS 15 1HB LYS 15 5.067 1.982 1.982 110 1HG LYS 15 2HG LYS 15 3.630 2.756 2.756 111 2HG LYS 15 1HG LYS 15 2.261 2.609 2.609 112 1HD LYS 15 2HD LYS 15 4.236 4.933 4.933 113 2HD LYS 15 1HD LYS 15 2.768 4.981 4.981 114 1HE LYS 15 2HE LYS 15 1.792 5.802 5.802 115 2HE LYS 15 1HE LYS 15 1.768 4.132 4.132 116 1HZ LYS 15 1HZ LYS 15 4.251 5.588 5.588 117 2HZ LYS 15 2HZ LYS 15 2.977 6.037 6.037 118 H TYR 16 H TYR 16 4.720 -0.969 -0.969 119 HA TYR 16 HA TYR 16 6.333 -0.521 -0.521 120 1HB TYR 16 2HB TYR 16 5.238 -2.482 -2.482 121 2HB TYR 16 1HB TYR 16 4.181 -1.091 -1.091 122 HD1 TYR 16 HD1 TYR 16 2.672 -1.111 -1.111 123 HD2 TYR 16 HD2 TYR 16 4.338 -4.564 -4.564 124 HE1 TYR 16 HE1 TYR 16 0.902 -2.573 -2.573 125 HE2 TYR 16 HE2 TYR 16 2.562 -6.015 -6.015 126 HH TYR 16 HH TYR 16 -0.150 -4.633 -4.633 127 H LYS 17 H LYS 17 7.840 -2.332 -2.332 128 HA LYS 17 HA LYS 17 8.286 -3.763 -3.763 129 1HB LYS 17 2HB LYS 17 9.969 -2.387 -2.387 130 2HB LYS 17 1HB LYS 17 10.251 -4.047 -4.047 131 1HG LYS 17 2HG LYS 17 10.121 -3.548 -3.548 132 2HG LYS 17 1HG LYS 17 11.505 -2.868 -2.868 133 1HD LYS 17 2HD LYS 17 10.653 -5.784 -5.784 134 2HD LYS 17 1HD LYS 17 11.822 -5.244 -5.244 135 1HE LYS 17 2HE LYS 17 13.076 -4.151 -4.151 136 2HE LYS 17 1HE LYS 17 12.062 -5.172 -5.172 137 1HZ LYS 17 1HZ LYS 17 13.781 -6.613 -6.613 138 2HZ LYS 17 2HZ LYS 17 12.934 -6.982 -6.982 139 H ALA 18 H ALA 18 7.014 -5.567 -5.567 140 HA ALA 18 HA ALA 18 5.965 -7.023 -7.023 141 1HB ALA 18 2HB ALA 18 5.930 -7.162 -7.162 142 2HB ALA 18 3HB ALA 18 7.004 -8.541 -8.541 143 3HB ALA 18 1HB ALA 18 5.368 -8.495 -8.495 144 H GLN 19 H GLN 19 6.595 -9.401 -9.401 145 HA GLN 19 HA GLN 19 9.016 -9.239 -9.239 146 1HB GLN 19 2HB GLN 19 6.765 -10.747 -10.747 147 2HB GLN 19 1HB GLN 19 7.808 -11.933 -11.933 148 1HG GLN 19 2HG GLN 19 9.112 -10.395 -10.395 149 2HG GLN 19 1HG GLN 19 7.756 -11.373 -11.373 150 1HE2 GLN 19 2HE2 GLN 19 11.304 -13.054 -13.054 151 2HE2 GLN 19 1HE2 GLN 19 10.949 -11.380 -11.380 152 H SER 20 H SER 20 8.111 -10.423 -10.423 153 HA SER 20 HA SER 20 10.835 -11.427 -11.427 154 1HB SER 20 2HB SER 20 9.592 -12.561 -12.561 155 2HB SER 20 1HB SER 20 9.672 -13.330 -13.330 156 HG SER 20 HG SER 20 7.470 -12.615 -12.615 157 H GLY 21 H GLY 21 8.923 -8.784 -8.784 158 1HA GLY 21 1HA GLY 21 9.318 -6.956 -6.956 159 2HA GLY 21 2HA GLY 21 10.626 -7.797 -7.797 160 H LYS 22 H LYS 22 7.958 -9.873 -9.873 161 HA LYS 22 HA LYS 22 7.616 -9.581 -9.581 162 1HB LYS 22 2HB LYS 22 7.252 -11.609 -11.609 163 2HB LYS 22 1HB LYS 22 5.610 -10.999 -10.999 164 1HG LYS 22 2HG LYS 22 5.819 -10.942 -10.942 165 2HG LYS 22 1HG LYS 22 7.158 -12.044 -12.044 166 1HD LYS 22 2HD LYS 22 5.420 -13.345 -13.345 167 2HD LYS 22 1HD LYS 22 4.224 -12.454 -12.454 168 1HE LYS 22 2HE LYS 22 5.034 -13.385 -13.385 169 2HE LYS 22 1HE LYS 22 6.433 -14.092 -14.092 170 1HZ LYS 22 1HZ LYS 22 3.678 -14.854 -14.854 171 2HZ LYS 22 2HZ LYS 22 4.479 -15.635 -15.635 172 H THR 23 H THR 23 5.766 -8.455 -8.455 173 HA THR 23 HA THR 23 3.678 -7.340 -7.340 174 HB THR 23 HB THR 23 4.057 -8.121 -8.121 175 HG1 THR 23 1HG THR 23 2.034 -6.385 -6.385 176 1HG2 THR 23 1HG2 THR 23 4.834 -5.517 -5.517 177 2HG2 THR 23 2HG2 THR 23 3.071 -5.277 -5.277 178 3HG2 THR 23 3HG2 THR 23 3.826 -6.243 -6.243 179 H ALA 24 H ALA 24 3.137 -4.863 -4.863 180 HA ALA 24 HA ALA 24 4.987 -3.001 -3.001 181 1HB ALA 24 1HB ALA 24 5.301 -4.131 -4.131 182 2HB ALA 24 2HB ALA 24 5.399 -2.361 -2.361 183 3HB ALA 24 3HB ALA 24 6.512 -3.403 -3.403 184 H ILE 25 H ILE 25 3.607 -1.385 -1.385 185 HA ILE 25 HA ILE 25 1.890 -0.001 -0.001 186 HB ILE 25 HB ILE 25 1.773 -0.422 -0.422 187 1HG1 ILE 25 2HG1 ILE 25 3.897 0.871 0.871 188 2HG1 ILE 25 3HG1 ILE 25 4.044 -0.081 -0.081 189 1HG2 ILE 25 3HG2 ILE 25 0.053 0.990 0.990 190 2HG2 ILE 25 1HG2 ILE 25 1.384 2.146 2.146 191 3HG2 ILE 25 2HG2 ILE 25 0.863 1.726 1.726 192 1HD1 ILE 25 1HD1 ILE 25 2.868 2.734 2.734 193 2HD1 ILE 25 2HD1 ILE 25 4.513 2.331 2.331 194 3HD1 ILE 25 3HD1 ILE 25 3.102 1.770 1.770 195 H CYS 26 H CYS 26 -0.291 -0.138 -0.138 196 HA CYS 26 HA CYS 26 -1.887 -2.089 -2.089 197 1HB CYS 26 2HB CYS 26 -0.801 -3.539 -3.539 198 2HB CYS 26 1HB CYS 26 -1.233 -2.464 -2.464 199 H LYS 27 H LYS 27 -3.601 -0.738 -0.738 200 HA LYS 27 HA LYS 27 -4.215 1.618 1.618 201 1HB LYS 27 2HB LYS 27 -6.367 -0.385 -0.385 202 2HB LYS 27 1HB LYS 27 -6.421 1.360 1.360 203 1HG LYS 27 2HG LYS 27 -5.734 1.042 1.042 204 2HG LYS 27 1HG LYS 27 -4.147 0.728 0.728 205 1HD LYS 27 2HD LYS 27 -5.611 -1.709 -1.709 206 2HD LYS 27 1HD LYS 27 -5.967 -1.120 -1.120 207 1HE LYS 27 2HE LYS 27 -3.231 -0.672 -0.672 208 2HE LYS 27 1HE LYS 27 -3.401 -2.127 -2.127 209 1HZ LYS 27 1HZ LYS 27 -4.441 -1.808 -1.808 210 2HZ LYS 27 2HZ LYS 27 -3.109 -2.651 -2.651 211 H CYS 28 H CYS 28 -5.318 2.499 2.499 212 HA CYS 28 HA CYS 28 -5.238 0.899 0.899 213 1HB CYS 28 2HB CYS 28 -5.361 3.669 3.669 214 2HB CYS 28 1HB CYS 28 -6.714 3.316 3.316 215 H TYR 29 H TYR 29 -7.618 1.872 1.872 216 HA TYR 29 HA TYR 29 -9.965 1.451 1.451 217 1HB TYR 29 2HB TYR 29 -8.669 -0.880 -0.880 218 2HB TYR 29 1HB TYR 29 -9.082 -0.918 -0.918 219 HD1 TYR 29 HD2 TYR 29 -11.790 0.731 0.731 220 HD2 TYR 29 HD1 TYR 29 -9.994 -3.142 -3.142 221 HE1 TYR 29 HE2 TYR 29 -14.050 -0.285 -0.285 222 HE2 TYR 29 HE1 TYR 29 -12.259 -4.146 -4.146 223 HH TYR 29 HH TYR 29 -14.691 -3.486 -3.486 224 H VAL 30 H VAL 30 -11.450 2.516 2.516 225 HA VAL 30 HA VAL 30 -12.583 3.260 3.260 226 HB VAL 30 HB VAL 30 -11.177 1.378 1.378 227 1HG1 VAL 30 3HG1 VAL 30 -13.206 3.096 3.096 228 2HG1 VAL 30 1HG1 VAL 30 -14.138 1.677 1.677 229 3HG1 VAL 30 2HG1 VAL 30 -13.047 1.550 1.550 230 1HG2 VAL 30 2HG2 VAL 30 -12.897 0.638 0.638 231 2HG2 VAL 30 3HG2 VAL 30 -11.492 -0.203 -0.203 232 3HG2 VAL 30 1HG2 VAL 30 -13.071 -0.275 -0.275 233 H LYS 31 H LYS 31 -9.432 2.307 2.307 234 HA LYS 31 HA LYS 31 -9.250 4.924 4.924 235 1HB LYS 31 2HB LYS 31 -8.259 2.319 2.319 236 2HB LYS 31 1HB LYS 31 -6.864 3.351 3.351 237 1HG LYS 31 2HG LYS 31 -7.194 3.993 3.993 238 2HG LYS 31 1HG LYS 31 -8.471 5.005 5.005 239 1HD LYS 31 2HD LYS 31 -10.152 3.649 3.649 240 2HD LYS 31 1HD LYS 31 -9.264 2.173 2.173 241 1HE LYS 31 2HE LYS 31 -9.312 2.274 2.274 242 2HE LYS 31 1HE LYS 31 -7.715 2.878 2.878 243 1HZ LYS 31 1HZ LYS 31 -8.284 4.976 4.976 244 2HZ LYS 31 2HZ LYS 31 -9.821 4.887 4.887 245 H LYS 32 H LYS 32 -9.412 5.645 5.645 246 HA LYS 32 HA LYS 32 -7.436 5.449 5.449 247 1HB LYS 32 2HB LYS 32 -9.331 6.745 6.745 248 2HB LYS 32 1HB LYS 32 -9.104 7.822 7.822 249 1HG LYS 32 2HG LYS 32 -6.928 8.604 8.604 250 2HG LYS 32 1HG LYS 32 -7.288 7.611 7.611 251 1HD LYS 32 2HD LYS 32 -9.418 9.532 9.532 252 2HD LYS 32 1HD LYS 32 -8.009 10.209 10.209 253 1HE LYS 32 2HE LYS 32 -8.490 8.245 8.245 254 2HE LYS 32 1HE LYS 32 -10.111 8.355 8.355 255 1HZ LYS 32 1HZ LYS 32 -8.691 10.796 10.796 256 2HZ LYS 32 2HZ LYS 32 -9.512 9.889 9.889 257 H CYS 33 H CYS 33 -5.517 6.767 6.767 258 HA CYS 33 HA CYS 33 -3.791 6.898 6.898 259 1HB CYS 33 2HB CYS 33 -3.124 8.285 8.285 260 2HB CYS 33 1HB CYS 33 -2.109 7.320 7.320 261 HA PRO 34 HA PRO 34 -4.655 11.004 11.004 262 1HB PRO 34 2HB PRO 34 -2.509 11.479 11.479 263 2HB PRO 34 1HB PRO 34 -3.932 10.601 10.601 264 1HG PRO 34 2HG PRO 34 -1.257 9.551 9.551 265 2HG PRO 34 1HG PRO 34 -2.537 8.778 8.778 266 1HD PRO 34 2HD PRO 34 -1.811 8.247 8.247 267 2HD PRO 34 1HD PRO 34 -3.162 7.559 7.559 268 H ARG 35 H ARG 35 -1.201 10.613 10.613 269 HA ARG 35 HA ARG 35 -1.458 12.542 12.542 270 1HB ARG 35 2HB ARG 35 0.189 14.150 14.150 271 2HB ARG 35 1HB ARG 35 -1.223 14.037 14.037 272 1HG ARG 35 2HG ARG 35 0.313 12.066 12.066 273 2HG ARG 35 1HG ARG 35 1.581 13.111 13.111 274 1HD ARG 35 2HD ARG 35 -0.065 14.989 14.989 275 2HD ARG 35 1HD ARG 35 -0.414 13.616 13.616 276 HE ARG 35 HE ARG 35 2.334 13.569 13.569 277 1HH1 ARG 35 2HH2 ARG 35 0.018 16.149 16.149 278 2HH1 ARG 35 1HH2 ARG 35 1.102 16.991 16.991 279 HH2 ARG 35 1HH ARG 35 3.299 16.110 16.110 280 H ASP 36 H ASP 36 0.405 12.498 12.498 281 HA ASP 36 HA ASP 36 1.603 10.199 10.199 282 1HB ASP 36 2HB ASP 36 2.066 11.781 11.781 283 2HB ASP 36 1HB ASP 36 2.423 13.043 13.043 284 HD2 ASP 36 2HD ASP 36 4.926 11.528 11.528 285 H GLY 37 H GLY 37 3.384 9.003 9.003 286 1HA GLY 37 1HA GLY 37 5.391 8.747 8.747 287 2HA GLY 37 2HA GLY 37 5.168 10.299 10.299 288 H ALA 38 H ALA 38 2.247 9.650 9.650 289 HA ALA 38 HA ALA 38 2.408 8.942 8.942 290 1HB ALA 38 1HB ALA 38 0.269 8.187 8.187 291 2HB ALA 38 2HB ALA 38 0.053 8.107 8.107 292 3HB ALA 38 3HB ALA 38 0.347 9.675 9.675 293 H LYS 39 H LYS 39 3.096 7.216 7.216 294 HA LYS 39 HA LYS 39 3.946 4.876 4.876 295 1HB LYS 39 2HB LYS 39 5.121 5.898 5.898 296 2HB LYS 39 1HB LYS 39 3.786 5.416 5.416 297 1HG LYS 39 2HG LYS 39 4.741 3.178 3.178 298 2HG LYS 39 1HG LYS 39 6.028 3.848 3.848 299 1HD LYS 39 2HD LYS 39 3.590 3.641 3.641 300 2HD LYS 39 1HD LYS 39 3.938 2.096 2.096 301 1HE LYS 39 2HE LYS 39 6.363 2.373 2.373 302 2HE LYS 39 1HE LYS 39 5.785 3.729 3.729 303 1HZ LYS 39 1HZ LYS 39 3.991 1.854 1.854 304 2HZ LYS 39 2HZ LYS 39 5.284 0.898 0.898 305 H CYS 40 H CYS 40 3.127 2.729 2.729 306 HA CYS 40 HA CYS 40 0.645 2.367 2.367 307 1HB CYS 40 2HB CYS 40 0.090 3.375 3.375 308 2HB CYS 40 1HB CYS 40 0.638 1.858 1.858 309 H GLU 41 H GLU 41 -0.071 -0.072 -0.072 310 HA GLU 41 HA GLU 41 2.307 -1.652 -1.652 311 1HB GLU 41 2HB GLU 41 1.473 -3.166 -3.166 312 2HB GLU 41 1HB GLU 41 2.368 -1.710 -1.710 313 1HG GLU 41 2HG GLU 41 0.218 -0.482 -0.482 314 2HG GLU 41 1HG GLU 41 -0.679 -1.935 -1.935 315 HE2 GLU 41 2HE GLU 41 -1.191 -1.208 -1.208 316 H PHE 42 H PHE 42 1.867 -3.819 -3.819 317 HA PHE 42 HA PHE 42 -0.861 -4.037 -4.037 318 1HB PHE 42 2HB PHE 42 0.935 -3.953 -3.953 319 2HB PHE 42 1HB PHE 42 1.908 -5.100 -5.100 320 HD1 PHE 42 2HD PHE 42 -1.009 -4.715 -4.715 321 HD2 PHE 42 1HD PHE 42 1.490 -7.471 -7.471 322 HE1 PHE 42 2HE PHE 42 -1.978 -6.595 -6.595 323 HE2 PHE 42 1HE PHE 42 0.521 -9.351 -9.351 324 HZ PHE 42 HZ PHE 42 -1.202 -8.891 -8.891 325 H ASP 43 H ASP 43 -2.108 -5.299 -5.299 326 HA ASP 43 HA ASP 43 -0.954 -7.262 -7.262 327 1HB ASP 43 2HB ASP 43 -3.814 -6.597 -6.597 328 2HB ASP 43 1HB ASP 43 -3.459 -7.932 -7.932 329 HD2 ASP 43 2HD ASP 43 -4.132 -5.549 -5.549 330 H SER 44 H SER 44 -0.636 -9.470 -9.470 331 HA SER 44 HA SER 44 -1.364 -10.307 -10.307 332 1HB SER 44 2HB SER 44 0.164 -12.210 -12.210 333 2HB SER 44 1HB SER 44 0.955 -10.677 -10.677 334 HG SER 44 HG SER 44 0.765 -10.987 -10.987 335 H TYR 45 H TYR 45 -3.123 -10.069 -10.069 336 HA TYR 45 HA TYR 45 -3.972 -12.830 -12.830 337 1HB TYR 45 2HB TYR 45 -5.296 -10.334 -10.334 338 2HB TYR 45 1HB TYR 45 -5.129 -11.906 -11.906 339 HD1 TYR 45 HD1 TYR 45 -2.393 -12.569 -12.569 340 HD2 TYR 45 HD2 TYR 45 -4.140 -8.672 -8.672 341 HE1 TYR 45 HE1 TYR 45 -0.360 -11.732 -11.732 342 HE2 TYR 45 HE2 TYR 45 -2.101 -7.848 -7.848 343 HH TYR 45 HH TYR 45 0.744 -9.827 -9.827 344 H LYS 46 H LYS 46 -5.004 -9.747 -9.747 345 HA LYS 46 HA LYS 46 -7.295 -11.204 -11.204 346 1HB LYS 46 2HB LYS 46 -7.187 -8.415 -8.415 347 2HB LYS 46 1HB LYS 46 -8.409 -8.878 -8.878 348 1HG LYS 46 2HG LYS 46 -8.294 -10.983 -10.983 349 2HG LYS 46 1HG LYS 46 -8.294 -9.474 -9.474 350 1HD LYS 46 2HD LYS 46 -10.277 -8.743 -8.743 351 2HD LYS 46 1HD LYS 46 -10.346 -10.397 -10.397 352 1HE LYS 46 2HE LYS 46 -10.429 -11.061 -11.061 353 2HE LYS 46 1HE LYS 46 -10.808 -9.375 -9.375 354 1HZ LYS 46 1HZ LYS 46 -12.840 -10.642 -10.642 355 2HZ LYS 46 2HZ LYS 46 -12.700 -9.622 -9.622 356 H GLY 47 H GLY 47 -5.016 -8.411 -8.411 357 1HA GLY 47 1HA GLY 47 -3.660 -8.398 -8.398 358 2HA GLY 47 2HA GLY 47 -5.058 -8.943 -8.943 359 H LYS 48 H LYS 48 -5.545 -6.612 -6.612 360 HA LYS 48 HA LYS 48 -6.225 -4.624 -4.624 361 1HB LYS 48 2HB LYS 48 -6.989 -4.878 -4.878 362 2HB LYS 48 1HB LYS 48 -7.445 -3.534 -3.534 363 1HG LYS 48 2HG LYS 48 -8.033 -6.368 -6.368 364 2HG LYS 48 1HG LYS 48 -9.079 -5.605 -5.605 365 1HD LYS 48 2HD LYS 48 -9.785 -3.920 -3.920 366 2HD LYS 48 1HD LYS 48 -8.372 -4.096 -4.096 367 1HE LYS 48 2HE LYS 48 -10.242 -6.455 -6.455 368 2HE LYS 48 1HE LYS 48 -10.740 -5.114 -5.114 369 1HZ LYS 48 1HZ LYS 48 -8.334 -5.416 -5.416 370 2HZ LYS 48 2HZ LYS 48 -8.465 -6.929 -6.929 371 H CYS 49 H CYS 49 -5.889 -2.235 -2.235 372 HA CYS 49 HA CYS 49 -3.080 -2.208 -2.208 373 1HB CYS 49 2HB CYS 49 -4.204 0.202 0.202 374 2HB CYS 49 1HB CYS 49 -2.607 -0.508 -0.508 375 H TYR 50 H TYR 50 -3.343 -2.038 -2.038 376 HA TYR 50 HA TYR 50 -5.403 -0.462 -0.462 377 1HB TYR 50 2HB TYR 50 -2.874 -1.968 -1.968 378 2HB TYR 50 1HB TYR 50 -3.547 -0.870 -0.870 379 HD1 TYR 50 HD2 TYR 50 -4.401 -3.823 -3.823 380 HD2 TYR 50 HD1 TYR 50 -5.352 -1.533 -1.533 381 HE1 TYR 50 HE2 TYR 50 -6.041 -5.619 -5.619 382 HE2 TYR 50 HE1 TYR 50 -6.988 -3.337 -3.337 383 HH TYR 50 HH TYR 50 -8.357 -5.107 -5.107 384 H CYS 51 H CYS 51 -4.499 1.372 1.372 385 HA CYS 51 HA CYS 51 -2.269 2.814 2.814 386 1HB CYS 51 2HB CYS 51 -4.575 3.133 3.133 387 2HB CYS 51 1HB CYS 51 -4.511 4.570 4.570 Start of MODEL 10 1 H ALA 1 H ALA 1 3.065 -12.483 -12.483 2 HA ALA 1 HA ALA 1 4.892 -11.555 -11.555 3 1HB ALA 1 1HB ALA 1 2.386 -13.114 -13.114 4 2HB ALA 1 2HB ALA 1 2.848 -12.353 -12.353 5 3HB ALA 1 3HB ALA 1 3.981 -13.450 -13.450 6 H THR 2 H THR 2 3.426 -9.301 -9.301 7 HA THR 2 HA THR 2 2.017 -7.958 -7.958 8 HB THR 2 HB THR 2 2.986 -6.703 -6.703 9 HG1 THR 2 1HG THR 2 1.542 -8.064 -8.064 10 1HG2 THR 2 3HG2 THR 2 1.013 -6.096 -6.096 11 2HG2 THR 2 1HG2 THR 2 0.156 -6.503 -6.503 12 3HG2 THR 2 2HG2 THR 2 1.360 -5.192 -5.192 13 H TYR 3 H TYR 3 2.669 -6.185 -6.185 14 HA TYR 3 HA TYR 3 5.580 -5.920 -5.920 15 1HB TYR 3 2HB TYR 3 3.374 -4.841 -4.841 16 2HB TYR 3 1HB TYR 3 5.044 -5.148 -5.148 17 HD1 TYR 3 HD1 TYR 3 4.845 -7.937 -7.937 18 HD2 TYR 3 HD2 TYR 3 2.725 -6.148 -6.148 19 HE1 TYR 3 HE1 TYR 3 4.197 -10.243 -10.243 20 HE2 TYR 3 HE2 TYR 3 2.084 -8.459 -8.459 21 HH TYR 3 HH TYR 3 1.783 -10.719 -10.719 22 H ASN 4 H ASN 4 6.084 -3.529 -3.529 23 HA ASN 4 HA ASN 4 4.552 -1.568 -1.568 24 1HB ASN 4 2HB ASN 4 7.563 -1.389 -1.389 25 2HB ASN 4 1HB ASN 4 6.337 -0.746 -0.746 26 1HD2 ASN 4 2HD2 ASN 4 5.645 -3.908 -3.908 27 2HD2 ASN 4 1HD2 ASN 4 4.843 -2.540 -2.540 28 H GLY 5 H GLY 5 4.918 0.627 0.627 29 1HA GLY 5 1HA GLY 5 6.863 1.244 1.244 30 2HA GLY 5 2HA GLY 5 5.438 0.673 0.673 31 H LYS 6 H LYS 6 4.903 2.722 2.722 32 HA LYS 6 HA LYS 6 3.748 4.554 4.554 33 1HB LYS 6 2HB LYS 6 5.501 5.428 5.428 34 2HB LYS 6 1HB LYS 6 4.660 6.482 6.482 35 1HG LYS 6 2HG LYS 6 5.980 5.631 5.631 36 2HG LYS 6 1HG LYS 6 6.721 4.408 4.408 37 1HD LYS 6 2HD LYS 6 7.504 6.463 6.463 38 2HD LYS 6 1HD LYS 6 7.159 7.409 7.409 39 1HE LYS 6 2HE LYS 6 8.872 6.413 6.413 40 2HE LYS 6 1HE LYS 6 8.807 4.910 4.910 41 1HZ LYS 6 1HZ LYS 6 10.441 7.171 7.171 42 2HZ LYS 6 2HZ LYS 6 10.512 5.703 5.703 43 H CYS 7 H CYS 7 2.037 5.939 5.939 44 HA CYS 7 HA CYS 7 0.900 4.674 4.674 45 1HB CYS 7 2HB CYS 7 -1.310 5.585 5.585 46 2HB CYS 7 1HB CYS 7 -0.645 4.023 4.023 47 H TYR 8 H TYR 8 -0.230 6.159 6.159 48 HA TYR 8 HA TYR 8 0.638 8.944 8.944 49 1HB TYR 8 2HB TYR 8 0.058 7.148 7.148 50 2HB TYR 8 1HB TYR 8 0.375 8.864 8.864 51 HD1 TYR 8 HD2 TYR 8 2.404 8.059 8.059 52 HD2 TYR 8 HD1 TYR 8 2.075 7.288 7.288 53 HE1 TYR 8 HE2 TYR 8 4.899 7.586 7.586 54 HE2 TYR 8 HE1 TYR 8 4.571 6.818 6.818 55 HH TYR 8 HH TYR 8 6.675 7.780 7.780 56 H LYS 9 H LYS 9 -0.888 10.545 10.545 57 HA LYS 9 HA LYS 9 -3.576 9.868 9.868 58 1HB LYS 9 2HB LYS 9 -1.918 12.187 12.187 59 2HB LYS 9 1HB LYS 9 -3.309 12.614 12.614 60 1HG LYS 9 2HG LYS 9 -4.739 11.411 11.411 61 2HG LYS 9 1HG LYS 9 -3.296 11.442 11.442 62 1HD LYS 9 2HD LYS 9 -3.337 13.760 13.760 63 2HD LYS 9 1HD LYS 9 -4.088 14.030 14.030 64 1HE LYS 9 2HE LYS 9 -5.855 12.505 12.505 65 2HE LYS 9 1HE LYS 9 -5.381 14.033 14.033 66 1HZ LYS 9 1HZ LYS 9 -7.375 13.830 13.830 67 2HZ LYS 9 2HZ LYS 9 -6.499 15.196 15.196 68 H LYS 10 H LYS 10 -2.011 11.723 11.723 69 HA LYS 10 HA LYS 10 -4.097 11.866 11.866 70 1HB LYS 10 2HB LYS 10 -1.568 12.590 12.590 71 2HB LYS 10 1HB LYS 10 -1.412 11.108 11.108 72 1HG LYS 10 2HG LYS 10 -2.094 12.378 12.378 73 2HG LYS 10 1HG LYS 10 -3.704 12.149 12.149 74 1HD LYS 10 2HD LYS 10 -2.599 14.306 14.306 75 2HD LYS 10 1HD LYS 10 -2.114 14.600 14.600 76 1HE LYS 10 2HE LYS 10 -4.697 13.934 13.934 77 2HE LYS 10 1HE LYS 10 -4.881 14.495 14.495 78 1HZ LYS 10 1HZ LYS 10 -5.057 16.476 16.476 79 2HZ LYS 10 2HZ LYS 10 -3.437 16.487 16.487 80 H ASP 11 H ASP 11 -1.642 9.215 9.215 81 HA ASP 11 HA ASP 11 -3.323 7.693 7.693 82 1HB ASP 11 2HB ASP 11 -0.693 7.577 7.577 83 2HB ASP 11 1HB ASP 11 -1.316 6.298 6.298 84 HD2 ASP 11 2HD ASP 11 0.385 5.452 5.452 85 H ASN 12 H ASN 12 -3.356 8.377 8.377 86 HA ASN 12 HA ASN 12 -4.193 7.399 7.399 87 1HB ASN 12 2HB ASN 12 -6.221 8.282 8.282 88 2HB ASN 12 1HB ASN 12 -6.404 6.763 6.763 89 1HD2 ASN 12 2HD2 ASN 12 -8.728 5.930 5.930 90 2HD2 ASN 12 1HD2 ASN 12 -8.441 6.425 6.425 91 H ILE 13 H ILE 13 -2.349 5.623 5.623 92 HA ILE 13 HA ILE 13 -3.717 3.039 3.039 93 HB ILE 13 HB ILE 13 -1.972 2.081 2.081 94 1HG1 ILE 13 2HG1 ILE 13 -0.831 3.947 3.947 95 2HG1 ILE 13 3HG1 ILE 13 -1.020 4.921 4.921 96 1HG2 ILE 13 3HG2 ILE 13 -4.220 3.630 3.630 97 2HG2 ILE 13 1HG2 ILE 13 -2.939 3.970 3.970 98 3HG2 ILE 13 2HG2 ILE 13 -3.454 2.293 2.293 99 1HD1 ILE 13 2HD1 ILE 13 0.074 2.150 2.150 100 2HD1 ILE 13 3HD1 ILE 13 1.136 3.351 3.351 101 3HD1 ILE 13 1HD1 ILE 13 0.482 3.658 3.658 102 H CYS 14 H CYS 14 -1.652 1.346 1.346 103 HA CYS 14 HA CYS 14 -0.190 2.589 2.589 104 1HB CYS 14 2HB CYS 14 -2.148 0.443 0.443 105 2HB CYS 14 1HB CYS 14 -0.593 -0.077 -0.077 106 H LYS 15 H LYS 15 1.901 2.595 2.595 107 HA LYS 15 HA LYS 15 2.744 0.401 0.401 108 1HB LYS 15 2HB LYS 15 3.596 3.179 3.179 109 2HB LYS 15 1HB LYS 15 4.916 2.050 2.050 110 1HG LYS 15 2HG LYS 15 4.181 1.427 1.427 111 2HG LYS 15 1HG LYS 15 2.555 2.021 2.021 112 1HD LYS 15 2HD LYS 15 3.165 4.270 4.270 113 2HD LYS 15 1HD LYS 15 4.832 3.998 3.998 114 1HE LYS 15 2HE LYS 15 5.318 2.859 2.859 115 2HE LYS 15 1HE LYS 15 3.623 2.843 2.843 116 1HZ LYS 15 1HZ LYS 15 5.383 5.219 5.219 117 2HZ LYS 15 2HZ LYS 15 4.593 4.678 4.678 118 H TYR 16 H TYR 16 4.282 -1.149 -1.149 119 HA TYR 16 HA TYR 16 5.794 -0.957 -0.957 120 1HB TYR 16 2HB TYR 16 4.594 -2.895 -2.895 121 2HB TYR 16 1HB TYR 16 3.513 -1.531 -1.531 122 HD1 TYR 16 HD1 TYR 16 1.679 -1.603 -1.603 123 HD2 TYR 16 HD2 TYR 16 4.310 -4.938 -4.938 124 HE1 TYR 16 HE1 TYR 16 0.048 -3.092 -3.092 125 HE2 TYR 16 HE2 TYR 16 2.669 -6.416 -6.416 126 HH TYR 16 HH TYR 16 -0.470 -5.580 -5.580 127 H LYS 17 H LYS 17 7.089 -3.005 -3.005 128 HA LYS 17 HA LYS 17 7.779 -4.084 -4.084 129 1HB LYS 17 2HB LYS 17 9.143 -3.579 -3.579 130 2HB LYS 17 1HB LYS 17 9.502 -5.168 -5.168 131 1HG LYS 17 2HG LYS 17 10.626 -4.330 -4.330 132 2HG LYS 17 1HG LYS 17 9.513 -2.993 -2.993 133 1HD LYS 17 2HD LYS 17 10.658 -2.217 -2.217 134 2HD LYS 17 1HD LYS 17 11.984 -3.166 -3.166 135 1HE LYS 17 2HE LYS 17 12.048 -1.827 -1.827 136 2HE LYS 17 1HE LYS 17 10.571 -0.991 -0.991 137 1HZ LYS 17 1HZ LYS 17 13.237 -0.442 -0.442 138 2HZ LYS 17 2HZ LYS 17 11.915 0.501 0.501 139 H ALA 18 H ALA 18 7.326 -6.128 -6.128 140 HA ALA 18 HA ALA 18 5.559 -7.683 -7.683 141 1HB ALA 18 1HB ALA 18 6.684 -8.086 -8.086 142 2HB ALA 18 2HB ALA 18 5.444 -9.113 -9.113 143 3HB ALA 18 3HB ALA 18 5.095 -7.401 -7.401 144 H GLN 19 H GLN 19 5.946 -9.986 -9.986 145 HA GLN 19 HA GLN 19 8.133 -10.455 -10.455 146 1HB GLN 19 2HB GLN 19 7.478 -12.705 -12.705 147 2HB GLN 19 1HB GLN 19 5.998 -11.911 -11.911 148 1HG GLN 19 2HG GLN 19 6.554 -12.418 -12.418 149 2HG GLN 19 1HG GLN 19 8.009 -13.244 -13.244 150 1HE2 GLN 19 2HE2 GLN 19 5.132 -15.628 -15.628 151 2HE2 GLN 19 1HE2 GLN 19 5.836 -14.337 -14.337 152 H SER 20 H SER 20 7.800 -10.855 -10.855 153 HA SER 20 HA SER 20 10.073 -12.260 -12.260 154 1HB SER 20 2HB SER 20 9.971 -10.544 -10.544 155 2HB SER 20 1HB SER 20 9.001 -11.993 -11.993 156 HG SER 20 HG SER 20 8.101 -9.495 -9.495 157 H GLY 21 H GLY 21 9.631 -8.672 -8.672 158 1HA GLY 21 1HA GLY 21 11.495 -7.644 -7.644 159 2HA GLY 21 2HA GLY 21 12.573 -8.412 -8.412 160 H LYS 22 H LYS 22 10.057 -7.845 -7.845 161 HA LYS 22 HA LYS 22 11.264 -5.490 -5.490 162 1HB LYS 22 2HB LYS 22 10.395 -7.377 -7.377 163 2HB LYS 22 1HB LYS 22 8.767 -6.979 -6.979 164 1HG LYS 22 2HG LYS 22 9.634 -4.507 -4.507 165 2HG LYS 22 1HG LYS 22 10.564 -5.544 -5.544 166 1HD LYS 22 2HD LYS 22 8.509 -6.676 -6.676 167 2HD LYS 22 1HD LYS 22 7.542 -5.774 -5.774 168 1HE LYS 22 2HE LYS 22 7.244 -4.223 -4.223 169 2HE LYS 22 1HE LYS 22 8.913 -3.755 -3.755 170 1HZ LYS 22 1HZ LYS 22 9.552 -5.443 -5.443 171 2HZ LYS 22 2HZ LYS 22 7.987 -5.805 -5.805 172 H THR 23 H THR 23 7.893 -5.336 -5.336 173 HA THR 23 HA THR 23 7.229 -3.845 -3.845 174 HB THR 23 HB THR 23 7.935 -2.429 -2.429 175 HG1 THR 23 1HG THR 23 9.639 -2.356 -2.356 176 1HG2 THR 23 1HG2 THR 23 5.693 -1.608 -1.608 177 2HG2 THR 23 2HG2 THR 23 6.518 -1.254 -1.254 178 3HG2 THR 23 3HG2 THR 23 6.986 -0.386 -0.386 179 H ALA 24 H ALA 24 5.037 -3.691 -3.691 180 HA ALA 24 HA ALA 24 3.409 -4.472 -4.472 181 1HB ALA 24 2HB ALA 24 3.538 -5.684 -5.684 182 2HB ALA 24 3HB ALA 24 2.015 -5.714 -5.714 183 3HB ALA 24 1HB ALA 24 3.471 -6.493 -6.493 184 H ILE 25 H ILE 25 1.723 -3.100 -3.100 185 HA ILE 25 HA ILE 25 1.260 -1.080 -1.080 186 HB ILE 25 HB ILE 25 0.302 -1.084 -1.084 187 1HG1 ILE 25 2HG1 ILE 25 2.885 0.081 0.081 188 2HG1 ILE 25 3HG1 ILE 25 2.762 -1.340 -1.340 189 1HG2 ILE 25 3HG2 ILE 25 -0.454 0.504 0.504 190 2HG2 ILE 25 1HG2 ILE 25 0.903 1.437 1.437 191 3HG2 ILE 25 2HG2 ILE 25 -0.473 0.990 0.990 192 1HD1 ILE 25 3HD1 ILE 25 1.683 1.399 1.399 193 2HD1 ILE 25 1HD1 ILE 25 3.292 0.790 0.790 194 3HD1 ILE 25 2HD1 ILE 25 1.829 -0.041 -0.041 195 H CYS 26 H CYS 26 -0.772 -0.721 -0.721 196 HA CYS 26 HA CYS 26 -2.890 -2.531 -2.531 197 1HB CYS 26 2HB CYS 26 -1.813 -3.696 -3.696 198 2HB CYS 26 1HB CYS 26 -1.879 -2.269 -2.269 199 H LYS 27 H LYS 27 -4.323 -0.966 -0.966 200 HA LYS 27 HA LYS 27 -4.467 1.631 1.631 201 1HB LYS 27 2HB LYS 27 -7.039 1.269 1.269 202 2HB LYS 27 1HB LYS 27 -5.862 1.063 1.063 203 1HG LYS 27 2HG LYS 27 -6.147 -1.226 -1.226 204 2HG LYS 27 1HG LYS 27 -6.353 -1.379 -1.379 205 1HD LYS 27 2HD LYS 27 -8.469 -0.223 -0.223 206 2HD LYS 27 1HD LYS 27 -8.446 -1.889 -1.889 207 1HE LYS 27 2HE LYS 27 -8.370 -0.859 -0.859 208 2HE LYS 27 1HE LYS 27 -8.901 0.620 0.620 209 1HZ LYS 27 1HZ LYS 27 -10.376 -1.822 -1.822 210 2HZ LYS 27 2HZ LYS 27 -10.624 -1.189 -1.189 211 H CYS 28 H CYS 28 -5.661 2.959 2.959 212 HA CYS 28 HA CYS 28 -5.527 2.026 2.026 213 1HB CYS 28 2HB CYS 28 -5.675 4.469 4.469 214 2HB CYS 28 1HB CYS 28 -7.303 4.326 4.326 215 H TYR 29 H TYR 29 -8.182 3.293 3.293 216 HA TYR 29 HA TYR 29 -10.178 1.566 1.566 217 1HB TYR 29 2HB TYR 29 -8.632 0.464 0.464 218 2HB TYR 29 1HB TYR 29 -9.667 1.417 1.417 219 HD1 TYR 29 HD2 TYR 29 -11.942 0.871 0.871 220 HD2 TYR 29 HD1 TYR 29 -9.613 -1.455 -1.455 221 HE1 TYR 29 HE2 TYR 29 -13.695 -0.970 -0.970 222 HE2 TYR 29 HE1 TYR 29 -11.374 -3.287 -3.287 223 HH TYR 29 HH TYR 29 -13.913 -3.258 -3.258 224 H VAL 30 H VAL 30 -11.726 1.776 1.776 225 HA VAL 30 HA VAL 30 -13.140 4.071 4.071 226 HB VAL 30 HB VAL 30 -12.929 2.800 2.800 227 1HG1 VAL 30 1HG1 VAL 30 -14.915 4.507 4.507 228 2HG1 VAL 30 2HG1 VAL 30 -15.539 3.255 3.255 229 3HG1 VAL 30 3HG1 VAL 30 -14.429 4.505 4.505 230 1HG2 VAL 30 1HG2 VAL 30 -13.821 1.616 1.616 231 2HG2 VAL 30 2HG2 VAL 30 -13.351 0.836 0.836 232 3HG2 VAL 30 3HG2 VAL 30 -14.998 1.482 1.482 233 H LYS 31 H LYS 31 -10.152 3.598 3.598 234 HA LYS 31 HA LYS 31 -10.308 6.382 6.382 235 1HB LYS 31 2HB LYS 31 -9.083 3.907 3.907 236 2HB LYS 31 1HB LYS 31 -8.154 5.379 5.379 237 1HG LYS 31 2HG LYS 31 -9.468 5.733 5.733 238 2HG LYS 31 1HG LYS 31 -10.672 6.275 6.275 239 1HD LYS 31 2HD LYS 31 -12.008 4.467 4.467 240 2HD LYS 31 1HD LYS 31 -10.670 3.345 3.345 241 1HE LYS 31 2HE LYS 31 -10.374 3.224 3.224 242 2HE LYS 31 1HE LYS 31 -10.529 4.957 4.957 243 1HZ LYS 31 1HZ LYS 31 -12.374 3.635 3.635 244 2HZ LYS 31 2HZ LYS 31 -12.912 4.752 4.752 245 H LYS 32 H LYS 32 -9.936 7.006 7.006 246 HA LYS 32 HA LYS 32 -7.866 6.330 6.330 247 1HB LYS 32 2HB LYS 32 -9.281 7.864 7.864 248 2HB LYS 32 1HB LYS 32 -9.351 8.876 8.876 249 1HG LYS 32 2HG LYS 32 -6.925 9.528 9.528 250 2HG LYS 32 1HG LYS 32 -6.996 8.634 8.634 251 1HD LYS 32 2HD LYS 32 -7.444 11.144 11.144 252 2HD LYS 32 1HD LYS 32 -8.654 10.108 10.108 253 1HE LYS 32 2HE LYS 32 -10.175 10.405 10.405 254 2HE LYS 32 1HE LYS 32 -8.931 11.147 11.147 255 1HZ LYS 32 1HZ LYS 32 -10.137 12.949 12.949 256 2HZ LYS 32 2HZ LYS 32 -8.865 12.906 12.906 257 H CYS 33 H CYS 33 -5.690 7.167 7.167 258 HA CYS 33 HA CYS 33 -4.110 7.063 7.063 259 1HB CYS 33 2HB CYS 33 -3.034 6.636 6.636 260 2HB CYS 33 1HB CYS 33 -3.696 8.050 8.050 261 HA PRO 34 HA PRO 34 -4.566 11.070 11.070 262 1HB PRO 34 2HB PRO 34 -2.438 11.117 11.117 263 2HB PRO 34 1HB PRO 34 -3.962 10.341 10.341 264 1HG PRO 34 2HG PRO 34 -1.390 9.098 9.098 265 2HG PRO 34 1HG PRO 34 -2.774 8.365 8.365 266 1HD PRO 34 2HD PRO 34 -2.015 8.083 8.083 267 2HD PRO 34 1HD PRO 34 -3.460 7.447 7.447 268 H ARG 35 H ARG 35 -1.389 10.185 10.185 269 HA ARG 35 HA ARG 35 -1.265 12.285 12.285 270 1HB ARG 35 2HB ARG 35 0.414 13.793 13.793 271 2HB ARG 35 1HB ARG 35 -1.165 13.828 13.828 272 1HG ARG 35 2HG ARG 35 -0.249 11.966 11.966 273 2HG ARG 35 1HG ARG 35 1.336 12.388 12.388 274 1HD ARG 35 2HD ARG 35 -0.234 14.767 14.767 275 2HD ARG 35 1HD ARG 35 0.011 13.655 13.655 276 HE ARG 35 HE ARG 35 2.348 14.043 14.043 277 1HH1 ARG 35 2HH2 ARG 35 0.723 15.608 15.608 278 2HH1 ARG 35 1HH2 ARG 35 2.108 16.547 16.547 279 HH2 ARG 35 1HH ARG 35 4.127 16.339 16.339 280 H ASP 36 H ASP 36 0.591 12.038 12.038 281 HA ASP 36 HA ASP 36 1.814 9.724 9.724 282 1HB ASP 36 2HB ASP 36 2.062 11.705 11.705 283 2HB ASP 36 1HB ASP 36 3.217 12.403 12.403 284 HD1 ASP 36 2HD ASP 36 5.794 10.276 10.276 285 H GLY 37 H GLY 37 3.625 8.634 8.634 286 1HA GLY 37 1HA GLY 37 5.592 8.516 8.516 287 2HA GLY 37 2HA GLY 37 5.267 10.088 10.088 288 H ALA 38 H ALA 38 2.315 9.212 9.212 289 HA ALA 38 HA ALA 38 2.463 8.592 8.592 290 1HB ALA 38 3HB ALA 38 0.350 8.031 8.031 291 2HB ALA 38 1HB ALA 38 0.082 7.738 7.738 292 3HB ALA 38 2HB ALA 38 0.421 9.386 9.386 293 H LYS 39 H LYS 39 3.300 6.876 6.876 294 HA LYS 39 HA LYS 39 4.136 4.566 4.566 295 1HB LYS 39 2HB LYS 39 5.042 5.480 5.480 296 2HB LYS 39 1HB LYS 39 3.582 4.960 4.960 297 1HG LYS 39 2HG LYS 39 4.809 2.819 2.819 298 2HG LYS 39 1HG LYS 39 5.876 3.411 3.411 299 1HD LYS 39 2HD LYS 39 3.405 3.197 3.197 300 2HD LYS 39 1HD LYS 39 3.404 1.812 1.812 301 1HE LYS 39 2HE LYS 39 4.847 0.720 0.720 302 2HE LYS 39 1HE LYS 39 6.035 1.992 1.992 303 1HZ LYS 39 1HZ LYS 39 4.206 3.065 3.065 304 2HZ LYS 39 2HZ LYS 39 4.309 1.518 1.518 305 H CYS 40 H CYS 40 3.324 2.393 2.393 306 HA CYS 40 HA CYS 40 0.685 1.961 1.961 307 1HB CYS 40 2HB CYS 40 -0.170 1.179 1.179 308 2HB CYS 40 1HB CYS 40 -0.111 2.907 2.907 309 H GLU 41 H GLU 41 0.088 -0.426 -0.426 310 HA GLU 41 HA GLU 41 2.375 -2.039 -2.039 311 1HB GLU 41 2HB GLU 41 1.780 -3.447 -3.447 312 2HB GLU 41 1HB GLU 41 2.856 -2.069 -2.069 313 1HG GLU 41 2HG GLU 41 -0.150 -1.805 -1.805 314 2HG GLU 41 1HG GLU 41 0.940 -2.210 -2.210 315 HE2 GLU 41 2HE GLU 41 0.428 1.491 1.491 316 H PHE 42 H PHE 42 1.804 -4.178 -4.178 317 HA PHE 42 HA PHE 42 -1.052 -4.420 -4.420 318 1HB PHE 42 2HB PHE 42 0.547 -4.466 -4.466 319 2HB PHE 42 1HB PHE 42 1.533 -5.668 -5.668 320 HD1 PHE 42 2HD PHE 42 -1.565 -5.092 -5.092 321 HD2 PHE 42 1HD PHE 42 0.878 -8.001 -8.001 322 HE1 PHE 42 2HE PHE 42 -2.845 -6.917 -6.917 323 HE2 PHE 42 1HE PHE 42 -0.402 -9.826 -9.826 324 HZ PHE 42 HZ PHE 42 -2.249 -9.262 -9.262 325 H ASP 43 H ASP 43 -2.108 -5.554 -5.554 326 HA ASP 43 HA ASP 43 -0.728 -7.531 -7.531 327 1HB ASP 43 2HB ASP 43 -3.597 -6.543 -6.543 328 2HB ASP 43 1HB ASP 43 -3.202 -7.965 -7.965 329 HD2 ASP 43 2HD ASP 43 -2.862 -5.690 -5.690 330 H SER 44 H SER 44 -0.674 -9.754 -9.754 331 HA SER 44 HA SER 44 -2.006 -10.589 -10.589 332 1HB SER 44 2HB SER 44 -0.691 -12.669 -12.669 333 2HB SER 44 1HB SER 44 0.333 -11.250 -11.250 334 HG SER 44 HG SER 44 0.397 -11.440 -11.440 335 H TYR 45 H TYR 45 -3.120 -10.112 -10.112 336 HA TYR 45 HA TYR 45 -4.290 -12.688 -12.688 337 1HB TYR 45 2HB TYR 45 -5.124 -9.982 -9.982 338 2HB TYR 45 1HB TYR 45 -5.033 -11.517 -11.517 339 HD1 TYR 45 HD1 TYR 45 -2.145 -12.099 -12.099 340 HD2 TYR 45 HD2 TYR 45 -3.887 -8.847 -8.847 341 HE1 TYR 45 HE1 TYR 45 0.145 -11.465 -11.465 342 HE2 TYR 45 HE2 TYR 45 -1.591 -8.223 -8.223 343 HH TYR 45 HH TYR 45 0.490 -8.851 -8.851 344 H LYS 46 H LYS 46 -5.244 -9.550 -9.550 345 HA LYS 46 HA LYS 46 -7.852 -10.769 -10.769 346 1HB LYS 46 2HB LYS 46 -7.170 -7.855 -7.855 347 2HB LYS 46 1HB LYS 46 -8.724 -8.433 -8.433 348 1HG LYS 46 2HG LYS 46 -8.425 -10.063 -10.063 349 2HG LYS 46 1HG LYS 46 -7.468 -8.701 -8.701 350 1HD LYS 46 2HD LYS 46 -10.144 -8.075 -8.075 351 2HD LYS 46 1HD LYS 46 -10.155 -8.840 -8.840 352 1HE LYS 46 2HE LYS 46 -8.370 -7.000 -7.000 353 2HE LYS 46 1HE LYS 46 -8.953 -6.166 -6.166 354 1HZ LYS 46 1HZ LYS 46 -10.127 -6.039 -6.039 355 2HZ LYS 46 2HZ LYS 46 -10.874 -5.645 -5.645 356 H GLY 47 H GLY 47 -5.258 -8.520 -8.520 357 1HA GLY 47 1HA GLY 47 -4.340 -9.023 -9.023 358 2HA GLY 47 2HA GLY 47 -5.971 -9.331 -9.331 359 H LYS 48 H LYS 48 -5.770 -6.742 -6.742 360 HA LYS 48 HA LYS 48 -6.102 -4.837 -4.837 361 1HB LYS 48 2HB LYS 48 -7.070 -4.887 -4.887 362 2HB LYS 48 1HB LYS 48 -7.055 -3.407 -3.407 363 1HG LYS 48 2HG LYS 48 -8.427 -5.989 -5.989 364 2HG LYS 48 1HG LYS 48 -9.251 -4.654 -4.654 365 1HD LYS 48 2HD LYS 48 -9.383 -3.491 -3.491 366 2HD LYS 48 1HD LYS 48 -7.664 -3.662 -3.662 367 1HE LYS 48 2HE LYS 48 -9.894 -5.574 -5.574 368 2HE LYS 48 1HE LYS 48 -8.745 -4.765 -4.765 369 1HZ LYS 48 1HZ LYS 48 -8.438 -7.276 -7.276 370 2HZ LYS 48 2HZ LYS 48 -7.240 -6.391 -6.391 371 H CYS 49 H CYS 49 -4.964 -2.813 -2.813 372 HA CYS 49 HA CYS 49 -2.411 -3.081 -3.081 373 1HB CYS 49 2HB CYS 49 -3.257 -2.078 -2.078 374 2HB CYS 49 1HB CYS 49 -2.459 -0.790 -0.790 375 H TYR 50 H TYR 50 -3.147 -2.499 -2.499 376 HA TYR 50 HA TYR 50 -4.779 -0.481 -0.481 377 1HB TYR 50 2HB TYR 50 -2.164 -1.684 -1.684 378 2HB TYR 50 1HB TYR 50 -2.859 -0.352 -0.352 379 HD1 TYR 50 HD2 TYR 50 -3.591 -3.785 -3.785 380 HD2 TYR 50 HD1 TYR 50 -4.622 -0.713 -0.713 381 HE1 TYR 50 HE2 TYR 50 -5.119 -5.404 -5.404 382 HE2 TYR 50 HE1 TYR 50 -6.147 -2.342 -2.342 383 HH TYR 50 HH TYR 50 -7.385 -4.366 -4.366 384 H CYS 51 H CYS 51 -4.832 1.518 1.518 385 HA CYS 51 HA CYS 51 -2.307 2.873 2.873 386 1HB CYS 51 2HB CYS 51 -4.760 4.321 4.321 387 2HB CYS 51 1HB CYS 51 -3.316 4.026 4.026 Start of MODEL 11 1 H ALA 1 H ALA 1 3.503 -10.627 -10.627 2 HA ALA 1 HA ALA 1 4.640 -11.318 -11.318 3 1HB ALA 1 3HB ALA 1 1.946 -12.505 -12.505 4 2HB ALA 1 1HB ALA 1 3.148 -12.257 -12.257 5 3HB ALA 1 2HB ALA 1 3.537 -13.297 -13.297 6 H THR 2 H THR 2 2.702 -8.956 -8.956 7 HA THR 2 HA THR 2 1.997 -7.718 -7.718 8 HB THR 2 HB THR 2 2.409 -6.237 -6.237 9 HG1 THR 2 1HG THR 2 1.280 -7.939 -7.939 10 1HG2 THR 2 2HG2 THR 2 0.966 -5.778 -5.778 11 2HG2 THR 2 3HG2 THR 2 -0.256 -6.227 -6.227 12 3HG2 THR 2 1HG2 THR 2 0.832 -4.851 -4.851 13 H TYR 3 H TYR 3 2.969 -6.045 -6.045 14 HA TYR 3 HA TYR 3 5.847 -5.846 -5.846 15 1HB TYR 3 2HB TYR 3 4.147 -4.961 -4.961 16 2HB TYR 3 1HB TYR 3 5.875 -5.249 -5.249 17 HD1 TYR 3 HD1 TYR 3 5.408 -7.897 -7.897 18 HD2 TYR 3 HD2 TYR 3 3.923 -6.451 -6.451 19 HE1 TYR 3 HE1 TYR 3 5.006 -10.286 -10.286 20 HE2 TYR 3 HE2 TYR 3 3.525 -8.845 -8.845 21 HH TYR 3 HH TYR 3 3.705 -10.937 -10.937 22 H ASN 4 H ASN 4 6.392 -3.503 -3.503 23 HA ASN 4 HA ASN 4 4.792 -1.491 -1.491 24 1HB ASN 4 2HB ASN 4 7.822 -1.228 -1.228 25 2HB ASN 4 1HB ASN 4 6.699 -0.363 -0.363 26 1HD2 ASN 4 2HD2 ASN 4 6.012 -3.444 -3.444 27 2HD2 ASN 4 1HD2 ASN 4 5.108 -2.372 -2.372 28 H GLY 5 H GLY 5 5.157 0.725 0.725 29 1HA GLY 5 1HA GLY 5 6.749 1.198 1.198 30 2HA GLY 5 2HA GLY 5 5.257 0.516 0.516 31 H LYS 6 H LYS 6 4.867 2.633 2.633 32 HA LYS 6 HA LYS 6 3.667 4.488 4.488 33 1HB LYS 6 2HB LYS 6 5.477 5.227 5.227 34 2HB LYS 6 1HB LYS 6 4.504 6.371 6.371 35 1HG LYS 6 2HG LYS 6 6.657 6.448 6.448 36 2HG LYS 6 1HG LYS 6 5.667 5.503 5.503 37 1HD LYS 6 2HD LYS 6 7.003 3.685 3.685 38 2HD LYS 6 1HD LYS 6 6.852 3.740 3.740 39 1HE LYS 6 2HE LYS 6 9.053 4.320 4.320 40 2HE LYS 6 1HE LYS 6 8.544 5.901 5.901 41 1HZ LYS 6 1HZ LYS 6 8.775 3.972 3.972 42 2HZ LYS 6 2HZ LYS 6 10.192 4.244 4.244 43 H CYS 7 H CYS 7 2.097 6.029 6.029 44 HA CYS 7 HA CYS 7 0.941 4.692 4.692 45 1HB CYS 7 2HB CYS 7 -1.341 5.270 5.270 46 2HB CYS 7 1HB CYS 7 -0.502 3.806 3.806 47 H TYR 8 H TYR 8 -0.888 6.288 6.288 48 HA TYR 8 HA TYR 8 -0.130 9.067 9.067 49 1HB TYR 8 2HB TYR 8 -0.408 7.654 7.654 50 2HB TYR 8 1HB TYR 8 0.014 9.340 9.340 51 HD1 TYR 8 HD2 TYR 8 1.235 5.945 5.945 52 HD2 TYR 8 HD1 TYR 8 2.256 9.929 9.929 53 HE1 TYR 8 HE2 TYR 8 3.702 5.330 5.330 54 HE2 TYR 8 HE1 TYR 8 4.719 9.301 9.301 55 HH TYR 8 HH TYR 8 6.154 7.661 7.661 56 H LYS 9 H LYS 9 -1.786 10.598 10.598 57 HA LYS 9 HA LYS 9 -4.415 9.405 9.405 58 1HB LYS 9 2HB LYS 9 -4.904 12.042 12.042 59 2HB LYS 9 1HB LYS 9 -4.496 11.083 11.083 60 1HG LYS 9 2HG LYS 9 -2.181 11.773 11.773 61 2HG LYS 9 1HG LYS 9 -2.349 12.434 12.434 62 1HD LYS 9 2HD LYS 9 -4.062 13.536 13.536 63 2HD LYS 9 1HD LYS 9 -2.392 14.046 14.046 64 1HE LYS 9 2HE LYS 9 -3.124 14.384 14.384 65 2HE LYS 9 1HE LYS 9 -4.700 14.580 14.580 66 1HZ LYS 9 1HZ LYS 9 -2.388 16.318 16.318 67 2HZ LYS 9 2HZ LYS 9 -3.968 16.698 16.698 68 H LYS 10 H LYS 10 -2.684 11.941 11.941 69 HA LYS 10 HA LYS 10 -4.525 12.321 12.321 70 1HB LYS 10 2HB LYS 10 -1.821 12.936 12.936 71 2HB LYS 10 1HB LYS 10 -1.857 12.137 12.137 72 1HG LYS 10 2HG LYS 10 -2.488 14.168 14.168 73 2HG LYS 10 1HG LYS 10 -4.077 13.776 13.776 74 1HD LYS 10 2HD LYS 10 -3.124 14.782 14.782 75 2HD LYS 10 1HD LYS 10 -1.943 15.545 15.545 76 1HE LYS 10 2HE LYS 10 -3.567 16.844 16.844 77 2HE LYS 10 1HE LYS 10 -4.872 15.742 15.742 78 1HZ LYS 10 1HZ LYS 10 -5.299 17.204 17.204 79 2HZ LYS 10 2HZ LYS 10 -4.029 16.568 16.568 80 H ASP 11 H ASP 11 -2.599 9.426 9.426 81 HA ASP 11 HA ASP 11 -3.586 8.330 8.330 82 1HB ASP 11 2HB ASP 11 -1.079 8.269 8.269 83 2HB ASP 11 1HB ASP 11 -1.506 7.126 7.126 84 HD2 ASP 11 2HD ASP 11 -0.184 6.291 6.291 85 H ASN 12 H ASN 12 -3.738 8.248 8.248 86 HA ASN 12 HA ASN 12 -4.833 7.060 7.060 87 1HB ASN 12 2HB ASN 12 -6.839 7.770 7.770 88 2HB ASN 12 1HB ASN 12 -6.612 6.521 6.521 89 1HD2 ASN 12 2HD2 ASN 12 -7.489 5.164 5.164 90 2HD2 ASN 12 1HD2 ASN 12 -6.258 6.347 6.347 91 H ILE 13 H ILE 13 -2.608 5.694 5.694 92 HA ILE 13 HA ILE 13 -3.548 2.933 2.933 93 HB ILE 13 HB ILE 13 -1.815 2.345 2.345 94 1HG1 ILE 13 2HG1 ILE 13 -0.937 4.365 4.365 95 2HG1 ILE 13 3HG1 ILE 13 -1.275 5.307 5.307 96 1HG2 ILE 13 2HG2 ILE 13 -4.297 3.421 3.421 97 2HG2 ILE 13 3HG2 ILE 13 -3.246 4.368 4.368 98 3HG2 ILE 13 1HG2 ILE 13 -3.268 2.592 2.592 99 1HD1 ILE 13 3HD1 ILE 13 0.096 2.846 2.846 100 2HD1 ILE 13 1HD1 ILE 13 1.019 3.718 3.718 101 3HD1 ILE 13 2HD1 ILE 13 0.592 4.533 4.533 102 H CYS 14 H CYS 14 -1.404 1.475 1.475 103 HA CYS 14 HA CYS 14 0.204 2.846 2.846 104 1HB CYS 14 2HB CYS 14 -1.281 1.742 1.742 105 2HB CYS 14 1HB CYS 14 -1.432 0.359 0.359 106 H LYS 15 H LYS 15 2.371 2.542 2.542 107 HA LYS 15 HA LYS 15 3.045 0.300 0.300 108 1HB LYS 15 2HB LYS 15 4.633 2.854 2.854 109 2HB LYS 15 1HB LYS 15 4.784 1.625 1.625 110 1HG LYS 15 2HG LYS 15 2.409 2.165 2.165 111 2HG LYS 15 1HG LYS 15 2.395 3.482 3.482 112 1HD LYS 15 2HD LYS 15 4.749 4.017 4.017 113 2HD LYS 15 1HD LYS 15 3.838 3.259 3.259 114 1HE LYS 15 2HE LYS 15 2.328 4.997 4.997 115 2HE LYS 15 1HE LYS 15 2.291 5.253 5.253 116 1HZ LYS 15 1HZ LYS 15 3.465 7.097 7.097 117 2HZ LYS 15 2HZ LYS 15 4.735 6.099 6.099 118 H TYR 16 H TYR 16 4.787 -1.048 -1.048 119 HA TYR 16 HA TYR 16 6.499 -0.464 -0.464 120 1HB TYR 16 2HB TYR 16 5.527 -2.347 -2.347 121 2HB TYR 16 1HB TYR 16 4.433 -0.988 -0.988 122 HD1 TYR 16 HD1 TYR 16 2.767 -1.184 -1.184 123 HD2 TYR 16 HD2 TYR 16 4.656 -4.477 -4.477 124 HE1 TYR 16 HE1 TYR 16 0.960 -2.750 -2.750 125 HE2 TYR 16 HE2 TYR 16 2.843 -6.031 -6.031 126 HH TYR 16 HH TYR 16 -0.012 -4.807 -4.807 127 H LYS 17 H LYS 17 8.104 -2.164 -2.164 128 HA LYS 17 HA LYS 17 8.432 -3.721 -3.721 129 1HB LYS 17 2HB LYS 17 10.222 -2.287 -2.287 130 2HB LYS 17 1HB LYS 17 10.339 -3.618 -3.618 131 1HG LYS 17 2HG LYS 17 10.415 -4.972 -4.972 132 2HG LYS 17 1HG LYS 17 11.210 -3.472 -3.472 133 1HD LYS 17 2HD LYS 17 11.987 -5.268 -5.268 134 2HD LYS 17 1HD LYS 17 12.838 -5.174 -5.174 135 1HE LYS 17 2HE LYS 17 13.547 -2.909 -2.909 136 2HE LYS 17 1HE LYS 17 12.393 -2.692 -2.692 137 1HZ LYS 17 1HZ LYS 17 13.776 -4.726 -4.726 138 2HZ LYS 17 2HZ LYS 17 14.956 -4.087 -4.087 139 H ALA 18 H ALA 18 7.444 -5.660 -5.660 140 HA ALA 18 HA ALA 18 6.307 -7.033 -7.033 141 1HB ALA 18 3HB ALA 18 6.066 -7.280 -7.280 142 2HB ALA 18 1HB ALA 18 7.456 -8.385 -8.385 143 3HB ALA 18 2HB ALA 18 5.951 -8.753 -8.753 144 H GLN 19 H GLN 19 6.941 -9.196 -9.196 145 HA GLN 19 HA GLN 19 9.360 -8.986 -8.986 146 1HB GLN 19 2HB GLN 19 8.797 -11.014 -11.014 147 2HB GLN 19 1HB GLN 19 7.230 -10.402 -10.402 148 1HG GLN 19 2HG GLN 19 7.352 -11.799 -11.799 149 2HG GLN 19 1HG GLN 19 8.900 -12.430 -12.430 150 1HE2 GLN 19 2HE2 GLN 19 7.025 -15.125 -15.125 151 2HE2 GLN 19 1HE2 GLN 19 8.040 -14.520 -14.520 152 H SER 20 H SER 20 8.443 -10.619 -10.619 153 HA SER 20 HA SER 20 11.223 -11.458 -11.458 154 1HB SER 20 2HB SER 20 9.902 -12.775 -12.775 155 2HB SER 20 1HB SER 20 10.232 -13.457 -13.457 156 HG SER 20 HG SER 20 8.150 -13.151 -13.151 157 H GLY 21 H GLY 21 9.414 -8.863 -8.863 158 1HA GLY 21 1HA GLY 21 9.756 -7.164 -7.164 159 2HA GLY 21 2HA GLY 21 10.970 -8.117 -8.117 160 H LYS 22 H LYS 22 8.006 -9.850 -9.850 161 HA LYS 22 HA LYS 22 7.520 -9.792 -9.792 162 1HB LYS 22 2HB LYS 22 7.363 -11.842 -11.842 163 2HB LYS 22 1HB LYS 22 5.950 -11.155 -11.155 164 1HG LYS 22 2HG LYS 22 4.838 -10.974 -10.974 165 2HG LYS 22 1HG LYS 22 6.234 -11.747 -11.747 166 1HD LYS 22 2HD LYS 22 5.680 -13.835 -13.835 167 2HD LYS 22 1HD LYS 22 5.070 -13.203 -13.203 168 1HE LYS 22 2HE LYS 22 3.321 -12.248 -12.248 169 2HE LYS 22 1HE LYS 22 3.581 -13.956 -13.956 170 1HZ LYS 22 1HZ LYS 22 3.183 -13.917 -13.917 171 2HZ LYS 22 2HZ LYS 22 2.207 -12.694 -12.694 172 H THR 23 H THR 23 5.455 -9.066 -9.066 173 HA THR 23 HA THR 23 3.394 -7.864 -7.864 174 HB THR 23 HB THR 23 4.146 -8.395 -8.395 175 HG1 THR 23 1HG THR 23 1.991 -8.580 -8.580 176 1HG2 THR 23 1HG2 THR 23 4.845 -5.754 -5.754 177 2HG2 THR 23 2HG2 THR 23 3.101 -5.586 -5.586 178 3HG2 THR 23 3HG2 THR 23 4.146 -6.417 -6.417 179 H ALA 24 H ALA 24 2.939 -5.307 -5.307 180 HA ALA 24 HA ALA 24 5.072 -3.548 -3.548 181 1HB ALA 24 2HB ALA 24 4.807 -4.751 -4.751 182 2HB ALA 24 3HB ALA 24 3.463 -3.600 -3.600 183 3HB ALA 24 1HB ALA 24 5.114 -3.001 -3.001 184 H ILE 25 H ILE 25 3.206 -1.807 -1.807 185 HA ILE 25 HA ILE 25 1.970 -0.430 -0.430 186 HB ILE 25 HB ILE 25 1.028 -0.402 -0.402 187 1HG1 ILE 25 2HG1 ILE 25 3.265 -0.299 -0.299 188 2HG1 ILE 25 3HG1 ILE 25 2.930 1.396 1.396 189 1HG2 ILE 25 3HG2 ILE 25 0.682 1.271 1.271 190 2HG2 ILE 25 1HG2 ILE 25 1.335 2.186 2.186 191 3HG2 ILE 25 2HG2 ILE 25 -0.188 1.280 1.280 192 1HD1 ILE 25 3HD1 ILE 25 3.505 0.601 0.601 193 2HD1 ILE 25 1HD1 ILE 25 4.522 -0.530 -0.530 194 3HD1 ILE 25 2HD1 ILE 25 4.726 1.226 1.226 195 H CYS 26 H CYS 26 -0.202 -0.289 -0.289 196 HA CYS 26 HA CYS 26 -2.046 -2.278 -2.278 197 1HB CYS 26 2HB CYS 26 -0.638 -3.349 -3.349 198 2HB CYS 26 1HB CYS 26 -1.390 -2.228 -2.228 199 H LYS 27 H LYS 27 -3.740 -0.909 -0.909 200 HA LYS 27 HA LYS 27 -4.169 1.593 1.593 201 1HB LYS 27 2HB LYS 27 -5.538 0.509 0.509 202 2HB LYS 27 1HB LYS 27 -6.224 -0.581 -0.581 203 1HG LYS 27 2HG LYS 27 -7.295 1.307 1.307 204 2HG LYS 27 1HG LYS 27 -6.519 2.458 2.458 205 1HD LYS 27 2HD LYS 27 -8.622 0.381 0.381 206 2HD LYS 27 1HD LYS 27 -8.811 2.123 2.123 207 1HE LYS 27 2HE LYS 27 -6.665 1.928 1.928 208 2HE LYS 27 1HE LYS 27 -7.375 0.353 0.353 209 1HZ LYS 27 1HZ LYS 27 -9.080 2.761 2.761 210 2HZ LYS 27 2HZ LYS 27 -8.202 2.344 2.344 211 H CYS 28 H CYS 28 -5.533 2.670 2.670 212 HA CYS 28 HA CYS 28 -5.284 1.280 1.280 213 1HB CYS 28 2HB CYS 28 -5.362 4.157 4.157 214 2HB CYS 28 1HB CYS 28 -5.899 3.721 3.721 215 H TYR 29 H TYR 29 -7.128 0.182 0.182 216 HA TYR 29 HA TYR 29 -9.687 1.153 1.153 217 1HB TYR 29 2HB TYR 29 -8.892 -1.277 -1.277 218 2HB TYR 29 1HB TYR 29 -8.769 -1.307 -1.307 219 HD1 TYR 29 HD2 TYR 29 -11.560 0.472 0.472 220 HD2 TYR 29 HD1 TYR 29 -10.286 -3.230 -3.230 221 HE1 TYR 29 HE2 TYR 29 -13.979 -0.294 -0.294 222 HE2 TYR 29 HE1 TYR 29 -12.709 -3.984 -3.984 223 HH TYR 29 HH TYR 29 -14.939 -3.196 -3.196 224 H VAL 30 H VAL 30 -11.064 2.333 2.333 225 HA VAL 30 HA VAL 30 -12.111 3.138 3.138 226 HB VAL 30 HB VAL 30 -12.420 1.846 1.846 227 1HG1 VAL 30 3HG1 VAL 30 -12.114 0.393 0.393 228 2HG1 VAL 30 1HG1 VAL 30 -10.852 -0.370 -0.370 229 3HG1 VAL 30 2HG1 VAL 30 -12.537 -0.334 -0.334 230 1HG2 VAL 30 1HG2 VAL 30 -9.474 1.855 1.855 231 2HG2 VAL 30 2HG2 VAL 30 -10.680 1.953 1.953 232 3HG2 VAL 30 3HG2 VAL 30 -10.231 0.370 0.370 233 H LYS 31 H LYS 31 -11.759 4.852 4.852 234 HA LYS 31 HA LYS 31 -10.596 6.697 6.697 235 1HB LYS 31 2HB LYS 31 -10.233 4.748 4.748 236 2HB LYS 31 1HB LYS 31 -8.556 5.009 5.009 237 1HG LYS 31 2HG LYS 31 -8.540 6.817 6.817 238 2HG LYS 31 1HG LYS 31 -9.631 7.616 7.616 239 1HD LYS 31 2HD LYS 31 -11.510 7.188 7.188 240 2HD LYS 31 1HD LYS 31 -10.890 5.661 5.661 241 1HE LYS 31 2HE LYS 31 -10.670 6.929 6.929 242 2HE LYS 31 1HE LYS 31 -9.096 7.229 7.229 243 1HZ LYS 31 1HZ LYS 31 -9.651 9.376 9.376 244 2HZ LYS 31 2HZ LYS 31 -11.191 9.044 9.044 245 H LYS 32 H LYS 32 -9.986 7.257 7.257 246 HA LYS 32 HA LYS 32 -7.879 6.357 6.357 247 1HB LYS 32 2HB LYS 32 -8.560 9.296 9.296 248 2HB LYS 32 1HB LYS 32 -7.897 8.449 8.449 249 1HG LYS 32 2HG LYS 32 -10.005 8.058 8.058 250 2HG LYS 32 1HG LYS 32 -10.275 7.038 7.038 251 1HD LYS 32 2HD LYS 32 -10.450 9.891 9.891 252 2HD LYS 32 1HD LYS 32 -11.573 9.477 9.477 253 1HE LYS 32 2HE LYS 32 -11.912 7.332 7.332 254 2HE LYS 32 1HE LYS 32 -11.558 8.622 8.622 255 1HZ LYS 32 1HZ LYS 32 -13.728 9.138 9.138 256 2HZ LYS 32 2HZ LYS 32 -13.324 9.785 9.785 257 H CYS 33 H CYS 33 -5.682 7.416 7.416 258 HA CYS 33 HA CYS 33 -4.158 7.161 7.161 259 1HB CYS 33 2HB CYS 33 -2.939 6.844 6.844 260 2HB CYS 33 1HB CYS 33 -3.702 8.165 8.165 261 HA PRO 34 HA PRO 34 -4.621 11.086 11.086 262 1HB PRO 34 2HB PRO 34 -2.439 11.134 11.134 263 2HB PRO 34 1HB PRO 34 -3.922 10.290 10.290 264 1HG PRO 34 2HG PRO 34 -1.337 9.170 9.170 265 2HG PRO 34 1HG PRO 34 -2.668 8.357 8.357 266 1HD PRO 34 2HD PRO 34 -1.996 8.219 8.219 267 2HD PRO 34 1HD PRO 34 -3.392 7.500 7.500 268 H ARG 35 H ARG 35 -1.410 10.384 10.384 269 HA ARG 35 HA ARG 35 -1.470 12.664 12.664 270 1HB ARG 35 2HB ARG 35 0.412 13.937 13.937 271 2HB ARG 35 1HB ARG 35 -1.095 13.958 13.958 272 1HG ARG 35 2HG ARG 35 -0.093 11.790 11.790 273 2HG ARG 35 1HG ARG 35 1.438 12.411 12.411 274 1HD ARG 35 2HD ARG 35 0.143 14.672 14.672 275 2HD ARG 35 1HD ARG 35 -0.223 13.371 13.371 276 HE ARG 35 HE ARG 35 2.549 13.203 13.203 277 1HH1 ARG 35 2HH2 ARG 35 0.339 15.333 15.333 278 2HH1 ARG 35 1HH2 ARG 35 1.563 15.912 15.912 279 HH2 ARG 35 1HH ARG 35 3.806 15.095 15.095 280 H ASP 36 H ASP 36 0.200 12.529 12.529 281 HA ASP 36 HA ASP 36 1.296 10.237 10.237 282 1HB ASP 36 2HB ASP 36 1.838 11.765 11.765 283 2HB ASP 36 1HB ASP 36 2.026 13.067 13.067 284 HD2 ASP 36 2HD ASP 36 5.363 13.051 13.051 285 H GLY 37 H GLY 37 3.025 8.904 8.904 286 1HA GLY 37 1HA GLY 37 5.079 8.470 8.470 287 2HA GLY 37 2HA GLY 37 5.037 10.017 10.017 288 H ALA 38 H ALA 38 2.035 9.368 9.368 289 HA ALA 38 HA ALA 38 2.289 8.733 8.733 290 1HB ALA 38 2HB ALA 38 0.115 8.028 8.028 291 2HB ALA 38 3HB ALA 38 -0.069 7.770 7.770 292 3HB ALA 38 1HB ALA 38 0.177 9.414 9.414 293 H LYS 39 H LYS 39 3.150 7.065 7.065 294 HA LYS 39 HA LYS 39 4.008 4.731 4.731 295 1HB LYS 39 2HB LYS 39 5.068 5.784 5.784 296 2HB LYS 39 1HB LYS 39 3.714 5.238 5.238 297 1HG LYS 39 2HG LYS 39 4.336 2.877 2.877 298 2HG LYS 39 1HG LYS 39 5.915 3.632 3.632 299 1HD LYS 39 2HD LYS 39 5.887 2.467 2.467 300 2HD LYS 39 1HD LYS 39 5.673 4.156 4.156 301 1HE LYS 39 2HE LYS 39 3.145 2.650 2.650 302 2HE LYS 39 1HE LYS 39 4.033 2.136 2.136 303 1HZ LYS 39 1HZ LYS 39 3.337 3.976 3.976 304 2HZ LYS 39 2HZ LYS 39 3.957 4.963 4.963 305 H CYS 40 H CYS 40 3.263 2.544 2.544 306 HA CYS 40 HA CYS 40 0.759 2.083 2.083 307 1HB CYS 40 2HB CYS 40 -0.138 1.122 1.122 308 2HB CYS 40 1HB CYS 40 -0.436 2.776 2.776 309 H GLU 41 H GLU 41 0.136 -0.354 -0.354 310 HA GLU 41 HA GLU 41 2.540 -1.858 -1.858 311 1HB GLU 41 2HB GLU 41 1.810 -3.418 -3.418 312 2HB GLU 41 1HB GLU 41 2.681 -1.944 -1.944 313 1HG GLU 41 2HG GLU 41 0.437 -0.789 -0.789 314 2HG GLU 41 1HG GLU 41 -0.343 -2.344 -2.344 315 HE2 GLU 41 2HE GLU 41 -0.430 -2.246 -2.246 316 H PHE 42 H PHE 42 2.134 -4.035 -4.035 317 HA PHE 42 HA PHE 42 -0.592 -4.290 -4.290 318 1HB PHE 42 2HB PHE 42 1.339 -4.237 -4.237 319 2HB PHE 42 1HB PHE 42 2.135 -5.522 -5.522 320 HD1 PHE 42 2HD PHE 42 -0.631 -4.723 -4.723 321 HD2 PHE 42 1HD PHE 42 1.470 -7.820 -7.820 322 HE1 PHE 42 2HE PHE 42 -1.748 -6.426 -6.426 323 HE2 PHE 42 1HE PHE 42 0.354 -9.524 -9.524 324 HZ PHE 42 HZ PHE 42 -1.242 -8.807 -8.807 325 H ASP 43 H ASP 43 -1.873 -5.518 -5.518 326 HA ASP 43 HA ASP 43 -0.724 -7.478 -7.478 327 1HB ASP 43 2HB ASP 43 -3.505 -6.499 -6.499 328 2HB ASP 43 1HB ASP 43 -3.354 -8.048 -8.048 329 HD2 ASP 43 2HD ASP 43 -3.660 -6.403 -6.403 330 H SER 44 H SER 44 -0.492 -9.694 -9.694 331 HA SER 44 HA SER 44 -1.336 -10.529 -10.529 332 1HB SER 44 2HB SER 44 0.295 -12.200 -12.200 333 2HB SER 44 1HB SER 44 1.007 -10.925 -10.925 334 HG SER 44 HG SER 44 -0.456 -13.227 -13.227 335 H TYR 45 H TYR 45 -3.334 -10.072 -10.072 336 HA TYR 45 HA TYR 45 -4.260 -12.839 -12.839 337 1HB TYR 45 2HB TYR 45 -5.284 -10.379 -10.379 338 2HB TYR 45 1HB TYR 45 -5.166 -12.021 -12.021 339 HD1 TYR 45 HD1 TYR 45 -2.232 -12.493 -12.493 340 HD2 TYR 45 HD2 TYR 45 -4.190 -9.255 -9.255 341 HE1 TYR 45 HE1 TYR 45 -0.061 -11.901 -11.901 342 HE2 TYR 45 HE2 TYR 45 -2.012 -8.674 -8.674 343 HH TYR 45 HH TYR 45 0.014 -9.413 -9.413 344 H LYS 46 H LYS 46 -4.892 -9.667 -9.667 345 HA LYS 46 HA LYS 46 -7.463 -10.706 -10.706 346 1HB LYS 46 2HB LYS 46 -7.008 -7.833 -7.833 347 2HB LYS 46 1HB LYS 46 -8.508 -8.558 -8.558 348 1HG LYS 46 2HG LYS 46 -7.954 -10.258 -10.258 349 2HG LYS 46 1HG LYS 46 -7.098 -8.849 -8.849 350 1HD LYS 46 2HD LYS 46 -9.032 -7.709 -7.709 351 2HD LYS 46 1HD LYS 46 -9.781 -8.189 -8.189 352 1HE LYS 46 2HE LYS 46 -9.654 -10.591 -10.591 353 2HE LYS 46 1HE LYS 46 -10.045 -9.390 -9.390 354 1HZ LYS 46 1HZ LYS 46 -12.122 -9.901 -9.901 355 2HZ LYS 46 2HZ LYS 46 -11.768 -8.627 -8.627 356 H GLY 47 H GLY 47 -4.922 -8.146 -8.146 357 1HA GLY 47 1HA GLY 47 -3.657 -8.220 -8.220 358 2HA GLY 47 2HA GLY 47 -5.141 -8.610 -8.610 359 H LYS 48 H LYS 48 -5.444 -6.341 -6.341 360 HA LYS 48 HA LYS 48 -6.104 -4.268 -4.268 361 1HB LYS 48 2HB LYS 48 -6.336 -4.405 -4.405 362 2HB LYS 48 1HB LYS 48 -6.886 -3.065 -3.065 363 1HG LYS 48 2HG LYS 48 -8.053 -5.220 -5.220 364 2HG LYS 48 1HG LYS 48 -8.086 -5.762 -5.762 365 1HD LYS 48 2HD LYS 48 -9.037 -2.975 -2.975 366 2HD LYS 48 1HD LYS 48 -10.107 -4.359 -4.359 367 1HE LYS 48 2HE LYS 48 -8.567 -3.813 -3.813 368 2HE LYS 48 1HE LYS 48 -10.048 -2.939 -2.939 369 1HZ LYS 48 1HZ LYS 48 -9.992 -5.889 -5.889 370 2HZ LYS 48 2HZ LYS 48 -10.228 -5.157 -5.157 371 H CYS 49 H CYS 49 -5.408 -1.951 -1.951 372 HA CYS 49 HA CYS 49 -2.532 -2.156 -2.156 373 1HB CYS 49 2HB CYS 49 -3.529 0.095 0.095 374 2HB CYS 49 1HB CYS 49 -1.930 -0.616 -0.616 375 H TYR 50 H TYR 50 -3.079 -1.809 -1.809 376 HA TYR 50 HA TYR 50 -4.773 0.124 0.124 377 1HB TYR 50 2HB TYR 50 -2.131 -1.158 -1.158 378 2HB TYR 50 1HB TYR 50 -2.944 -0.024 -0.024 379 HD1 TYR 50 HD2 TYR 50 -3.280 -3.312 -3.312 380 HD2 TYR 50 HD1 TYR 50 -4.849 -0.676 -0.676 381 HE1 TYR 50 HE2 TYR 50 -4.736 -5.190 -5.190 382 HE2 TYR 50 HE1 TYR 50 -6.300 -2.563 -2.563 383 HH TYR 50 HH TYR 50 -7.031 -5.211 -5.211 384 H CYS 51 H CYS 51 -4.800 2.257 2.257 385 HA CYS 51 HA CYS 51 -2.205 3.571 3.571 386 1HB CYS 51 2HB CYS 51 -4.664 5.010 5.010 387 2HB CYS 51 1HB CYS 51 -3.085 4.961 4.961 Start of MODEL 12 1 H ALA 1 H ALA 1 3.050 -10.646 -10.646 2 HA ALA 1 HA ALA 1 4.555 -10.688 -10.688 3 1HB ALA 1 3HB ALA 1 2.412 -12.462 -12.462 4 2HB ALA 1 1HB ALA 1 3.405 -11.772 -11.772 5 3HB ALA 1 2HB ALA 1 4.176 -12.698 -12.698 6 H THR 2 H THR 2 2.245 -8.583 -8.583 7 HA THR 2 HA THR 2 1.722 -7.495 -7.495 8 HB THR 2 HB THR 2 2.080 -5.743 -5.743 9 HG1 THR 2 1HG THR 2 0.052 -7.825 -7.825 10 1HG2 THR 2 1HG2 THR 2 0.620 -5.560 -5.560 11 2HG2 THR 2 2HG2 THR 2 -0.592 -6.120 -6.120 12 3HG2 THR 2 3HG2 THR 2 0.305 -4.611 -4.611 13 H TYR 3 H TYR 3 2.638 -5.798 -5.798 14 HA TYR 3 HA TYR 3 5.525 -5.573 -5.573 15 1HB TYR 3 2HB TYR 3 3.650 -4.977 -4.977 16 2HB TYR 3 1HB TYR 3 5.397 -4.865 -4.865 17 HD1 TYR 3 HD1 TYR 3 5.543 -7.497 -7.497 18 HD2 TYR 3 HD2 TYR 3 3.770 -6.536 -6.536 19 HE1 TYR 3 HE1 TYR 3 5.666 -9.941 -9.941 20 HE2 TYR 3 HE2 TYR 3 3.899 -8.983 -8.983 21 HH TYR 3 HH TYR 3 4.838 -10.937 -10.937 22 H ASN 4 H ASN 4 6.214 -3.314 -3.314 23 HA ASN 4 HA ASN 4 4.491 -1.215 -1.215 24 1HB ASN 4 2HB ASN 4 7.489 -1.131 -1.131 25 2HB ASN 4 1HB ASN 4 6.247 -0.092 -0.092 26 1HD2 ASN 4 2HD2 ASN 4 4.856 -2.725 -2.725 27 2HD2 ASN 4 1HD2 ASN 4 4.334 -1.582 -1.582 28 H GLY 5 H GLY 5 4.904 0.841 0.841 29 1HA GLY 5 1HA GLY 5 7.046 1.143 1.143 30 2HA GLY 5 2HA GLY 5 5.602 0.605 0.605 31 H LYS 6 H LYS 6 4.657 2.347 2.347 32 HA LYS 6 HA LYS 6 3.883 4.554 4.554 33 1HB LYS 6 2HB LYS 6 5.559 5.038 5.038 34 2HB LYS 6 1HB LYS 6 4.832 6.265 6.265 35 1HG LYS 6 2HG LYS 6 6.179 5.426 5.426 36 2HG LYS 6 1HG LYS 6 6.923 4.229 4.229 37 1HD LYS 6 2HD LYS 6 7.559 6.305 6.305 38 2HD LYS 6 1HD LYS 6 7.236 7.245 7.245 39 1HE LYS 6 2HE LYS 6 8.908 4.877 4.877 40 2HE LYS 6 1HE LYS 6 9.645 5.937 5.937 41 1HZ LYS 6 1HZ LYS 6 8.849 6.608 6.608 42 2HZ LYS 6 2HZ LYS 6 10.301 6.818 6.818 43 H CYS 7 H CYS 7 2.259 5.967 5.967 44 HA CYS 7 HA CYS 7 0.986 4.516 4.516 45 1HB CYS 7 2HB CYS 7 -1.202 5.421 5.421 46 2HB CYS 7 1HB CYS 7 -0.483 3.913 3.913 47 H TYR 8 H TYR 8 -0.340 5.970 5.970 48 HA TYR 8 HA TYR 8 0.616 8.748 8.748 49 1HB TYR 8 2HB TYR 8 -0.274 6.942 6.942 50 2HB TYR 8 1HB TYR 8 0.225 8.610 8.610 51 HD1 TYR 8 HD1 TYR 8 2.642 8.985 8.985 52 HD2 TYR 8 HD2 TYR 8 1.307 5.446 5.446 53 HE1 TYR 8 HE1 TYR 8 5.052 8.224 8.224 54 HE2 TYR 8 HE2 TYR 8 3.721 4.697 4.697 55 HH TYR 8 HH TYR 8 6.303 6.757 6.757 56 H LYS 9 H LYS 9 -0.872 10.398 10.398 57 HA LYS 9 HA LYS 9 -3.602 9.656 9.656 58 1HB LYS 9 2HB LYS 9 -3.938 12.031 12.031 59 2HB LYS 9 1HB LYS 9 -2.557 11.421 11.421 60 1HG LYS 9 2HG LYS 9 -1.016 12.331 12.331 61 2HG LYS 9 1HG LYS 9 -2.384 12.905 12.905 62 1HD LYS 9 2HD LYS 9 -2.218 13.775 13.775 63 2HD LYS 9 1HD LYS 9 -1.071 14.485 14.485 64 1HE LYS 9 2HE LYS 9 -3.355 14.742 14.742 65 2HE LYS 9 1HE LYS 9 -4.050 14.802 14.802 66 1HZ LYS 9 1HZ LYS 9 -1.837 16.441 16.441 67 2HZ LYS 9 2HZ LYS 9 -2.499 16.792 16.792 68 H LYS 10 H LYS 10 -1.715 11.451 11.451 69 HA LYS 10 HA LYS 10 -3.813 12.143 12.143 70 1HB LYS 10 2HB LYS 10 -1.144 12.500 12.500 71 2HB LYS 10 1HB LYS 10 -1.279 11.260 11.260 72 1HG LYS 10 2HG LYS 10 -3.166 12.682 12.682 73 2HG LYS 10 1HG LYS 10 -2.696 13.959 13.959 74 1HD LYS 10 2HD LYS 10 -0.377 13.920 13.920 75 2HD LYS 10 1HD LYS 10 -0.825 12.621 12.621 76 1HE LYS 10 2HE LYS 10 -2.785 14.417 14.417 77 2HE LYS 10 1HE LYS 10 -1.534 15.533 15.533 78 1HZ LYS 10 1HZ LYS 10 -0.254 15.000 15.000 79 2HZ LYS 10 2HZ LYS 10 -0.628 13.415 13.415 80 H ASP 11 H ASP 11 -1.902 9.066 9.066 81 HA ASP 11 HA ASP 11 -3.698 7.982 7.982 82 1HB ASP 11 2HB ASP 11 -1.010 7.473 7.473 83 2HB ASP 11 1HB ASP 11 -1.930 6.007 6.007 84 HD1 ASP 11 2HD ASP 11 -3.208 7.247 7.247 85 H ASN 12 H ASN 12 -3.578 8.424 8.424 86 HA ASN 12 HA ASN 12 -4.398 7.405 7.405 87 1HB ASN 12 2HB ASN 12 -6.444 8.277 8.277 88 2HB ASN 12 1HB ASN 12 -6.670 6.664 6.664 89 1HD2 ASN 12 2HD2 ASN 12 -8.914 6.308 6.308 90 2HD2 ASN 12 1HD2 ASN 12 -8.722 6.662 6.662 91 H ILE 13 H ILE 13 -2.536 5.670 5.670 92 HA ILE 13 HA ILE 13 -3.876 3.067 3.067 93 HB ILE 13 HB ILE 13 -2.158 2.172 2.172 94 1HG1 ILE 13 2HG1 ILE 13 -0.930 3.919 3.919 95 2HG1 ILE 13 3HG1 ILE 13 -1.281 5.058 5.058 96 1HG2 ILE 13 3HG2 ILE 13 -4.423 3.718 3.718 97 2HG2 ILE 13 1HG2 ILE 13 -3.162 4.149 4.149 98 3HG2 ILE 13 2HG2 ILE 13 -3.641 2.447 2.447 99 1HD1 ILE 13 1HD1 ILE 13 -0.178 2.458 2.458 100 2HD1 ILE 13 2HD1 ILE 13 0.932 3.430 3.430 101 3HD1 ILE 13 3HD1 ILE 13 0.239 4.116 4.116 102 H CYS 14 H CYS 14 -2.015 1.328 1.328 103 HA CYS 14 HA CYS 14 -0.358 2.545 2.545 104 1HB CYS 14 2HB CYS 14 -2.472 0.568 0.568 105 2HB CYS 14 1HB CYS 14 -0.940 -0.040 -0.040 106 H LYS 15 H LYS 15 1.746 2.253 2.253 107 HA LYS 15 HA LYS 15 2.331 -0.097 -0.097 108 1HB LYS 15 2HB LYS 15 4.203 1.080 1.080 109 2HB LYS 15 1HB LYS 15 2.881 2.229 2.229 110 1HG LYS 15 2HG LYS 15 3.859 3.544 3.544 111 2HG LYS 15 1HG LYS 15 4.422 2.168 2.168 112 1HD LYS 15 2HD LYS 15 6.204 3.687 3.687 113 2HD LYS 15 1HD LYS 15 6.407 1.949 1.949 114 1HE LYS 15 2HE LYS 15 5.879 1.859 1.859 115 2HE LYS 15 1HE LYS 15 4.766 3.210 3.210 116 1HZ LYS 15 1HZ LYS 15 6.930 3.687 3.687 117 2HZ LYS 15 2HZ LYS 15 6.592 4.733 4.733 118 H TYR 16 H TYR 16 4.235 -1.408 -1.408 119 HA TYR 16 HA TYR 16 5.721 -1.104 -1.104 120 1HB TYR 16 2HB TYR 16 4.564 -2.977 -2.977 121 2HB TYR 16 1HB TYR 16 3.536 -1.571 -1.571 122 HD1 TYR 16 HD1 TYR 16 1.678 -1.597 -1.597 123 HD2 TYR 16 HD2 TYR 16 3.977 -5.091 -5.091 124 HE1 TYR 16 HE1 TYR 16 -0.119 -3.058 -3.058 125 HE2 TYR 16 HE2 TYR 16 2.173 -6.540 -6.540 126 HH TYR 16 HH TYR 16 -0.905 -5.251 -5.251 127 H LYS 17 H LYS 17 7.100 -3.037 -3.037 128 HA LYS 17 HA LYS 17 7.714 -4.323 -4.323 129 1HB LYS 17 2HB LYS 17 9.020 -3.859 -3.859 130 2HB LYS 17 1HB LYS 17 9.373 -5.427 -5.427 131 1HG LYS 17 2HG LYS 17 10.460 -4.526 -4.526 132 2HG LYS 17 1HG LYS 17 9.468 -3.082 -3.082 133 1HD LYS 17 2HD LYS 17 10.865 -2.959 -2.959 134 2HD LYS 17 1HD LYS 17 12.051 -3.531 -3.531 135 1HE LYS 17 2HE LYS 17 10.871 -1.535 -1.535 136 2HE LYS 17 1HE LYS 17 10.656 -0.888 -0.888 137 1HZ LYS 17 1HZ LYS 17 13.301 -1.940 -1.940 138 2HZ LYS 17 2HZ LYS 17 12.875 -0.464 -0.464 139 H ALA 18 H ALA 18 6.939 -6.240 -6.240 140 HA ALA 18 HA ALA 18 5.242 -7.741 -7.741 141 1HB ALA 18 1HB ALA 18 5.506 -7.295 -7.295 142 2HB ALA 18 2HB ALA 18 5.745 -9.037 -9.037 143 3HB ALA 18 3HB ALA 18 4.258 -8.240 -8.240 144 H GLN 19 H GLN 19 5.510 -10.174 -10.174 145 HA GLN 19 HA GLN 19 7.742 -10.826 -10.826 146 1HB GLN 19 2HB GLN 19 6.996 -13.050 -13.050 147 2HB GLN 19 1HB GLN 19 5.529 -12.157 -12.157 148 1HG GLN 19 2HG GLN 19 5.468 -13.737 -13.737 149 2HG GLN 19 1HG GLN 19 6.287 -12.419 -12.419 150 1HE2 GLN 19 2HE2 GLN 19 8.605 -15.538 -15.538 151 2HE2 GLN 19 1HE2 GLN 19 7.253 -14.912 -14.912 152 H SER 20 H SER 20 7.242 -10.845 -10.845 153 HA SER 20 HA SER 20 9.422 -12.324 -12.324 154 1HB SER 20 2HB SER 20 9.294 -10.468 -10.468 155 2HB SER 20 1HB SER 20 8.235 -11.859 -11.859 156 HG SER 20 HG SER 20 6.620 -10.474 -10.474 157 H GLY 21 H GLY 21 9.139 -8.744 -8.744 158 1HA GLY 21 1HA GLY 21 11.077 -7.862 -7.862 159 2HA GLY 21 2HA GLY 21 12.093 -8.621 -8.621 160 H LYS 22 H LYS 22 9.405 -7.759 -7.759 161 HA LYS 22 HA LYS 22 10.740 -5.419 -5.419 162 1HB LYS 22 2HB LYS 22 9.813 -7.193 -7.193 163 2HB LYS 22 1HB LYS 22 8.200 -6.800 -6.800 164 1HG LYS 22 2HG LYS 22 9.075 -4.296 -4.296 165 2HG LYS 22 1HG LYS 22 10.003 -5.264 -5.264 166 1HD LYS 22 2HD LYS 22 7.849 -6.422 -6.422 167 2HD LYS 22 1HD LYS 22 6.968 -5.318 -5.318 168 1HE LYS 22 2HE LYS 22 8.748 -4.483 -4.483 169 2HE LYS 22 1HE LYS 22 6.997 -4.549 -4.549 170 1HZ LYS 22 1HZ LYS 22 7.961 -3.005 -3.005 171 2HZ LYS 22 2HZ LYS 22 8.474 -2.394 -2.394 172 H THR 23 H THR 23 7.360 -5.173 -5.173 173 HA THR 23 HA THR 23 6.784 -3.787 -3.787 174 HB THR 23 HB THR 23 7.549 -2.294 -2.294 175 HG1 THR 23 1HG THR 23 9.125 -2.254 -2.254 176 1HG2 THR 23 2HG2 THR 23 5.699 -1.381 -1.381 177 2HG2 THR 23 3HG2 THR 23 6.580 -0.251 -0.251 178 3HG2 THR 23 1HG2 THR 23 5.357 -1.343 -1.343 179 H ALA 24 H ALA 24 4.624 -3.749 -3.749 180 HA ALA 24 HA ALA 24 2.925 -4.436 -4.436 181 1HB ALA 24 3HB ALA 24 3.253 -5.692 -5.692 182 2HB ALA 24 1HB ALA 24 1.576 -5.474 -5.474 183 3HB ALA 24 2HB ALA 24 2.726 -6.407 -6.407 184 H ILE 25 H ILE 25 1.181 -3.111 -3.111 185 HA ILE 25 HA ILE 25 0.751 -1.064 -1.064 186 HB ILE 25 HB ILE 25 -0.071 -0.850 -0.850 187 1HG1 ILE 25 2HG1 ILE 25 2.667 -0.520 -0.520 188 2HG1 ILE 25 3HG1 ILE 25 2.189 -1.239 -1.239 189 1HG2 ILE 25 1HG2 ILE 25 -0.630 0.717 0.717 190 2HG2 ILE 25 2HG2 ILE 25 0.820 1.513 1.513 191 3HG2 ILE 25 3HG2 ILE 25 -0.609 1.273 1.273 192 1HD1 ILE 25 3HD1 ILE 25 1.320 1.229 1.229 193 2HD1 ILE 25 1HD1 ILE 25 2.505 1.672 1.672 194 3HD1 ILE 25 2HD1 ILE 25 3.035 0.802 0.802 195 H CYS 26 H CYS 26 -1.373 -0.586 -0.586 196 HA CYS 26 HA CYS 26 -3.460 -2.316 -2.316 197 1HB CYS 26 2HB CYS 26 -2.379 -3.399 -3.399 198 2HB CYS 26 1HB CYS 26 -2.978 -2.058 -2.058 199 H LYS 27 H LYS 27 -4.727 -0.657 -0.657 200 HA LYS 27 HA LYS 27 -4.836 1.924 1.924 201 1HB LYS 27 2HB LYS 27 -7.319 1.722 1.722 202 2HB LYS 27 1HB LYS 27 -5.979 1.503 1.503 203 1HG LYS 27 2HG LYS 27 -6.231 -0.847 -0.847 204 2HG LYS 27 1HG LYS 27 -7.060 -0.906 -0.906 205 1HD LYS 27 2HD LYS 27 -8.192 0.181 0.181 206 2HD LYS 27 1HD LYS 27 -8.665 -1.307 -1.307 207 1HE LYS 27 2HE LYS 27 -9.177 0.312 0.312 208 2HE LYS 27 1HE LYS 27 -9.244 1.547 1.547 209 1HZ LYS 27 1HZ LYS 27 -11.401 0.320 0.320 210 2HZ LYS 27 2HZ LYS 27 -11.025 0.438 0.438 211 H CYS 28 H CYS 28 -5.876 3.198 3.198 212 HA CYS 28 HA CYS 28 -6.414 1.928 1.928 213 1HB CYS 28 2HB CYS 28 -5.950 4.553 4.553 214 2HB CYS 28 1HB CYS 28 -7.517 4.590 4.590 215 H TYR 29 H TYR 29 -8.245 0.744 0.744 216 HA TYR 29 HA TYR 29 -10.710 1.557 1.557 217 1HB TYR 29 2HB TYR 29 -11.161 -0.781 -0.781 218 2HB TYR 29 1HB TYR 29 -9.410 -0.814 -0.814 219 HD1 TYR 29 HD1 TYR 29 -8.161 -1.033 -1.033 220 HD2 TYR 29 HD2 TYR 29 -12.309 -1.936 -1.936 221 HE1 TYR 29 HE1 TYR 29 -8.126 -2.460 -2.460 222 HE2 TYR 29 HE2 TYR 29 -12.261 -3.360 -3.360 223 HH TYR 29 HH TYR 29 -9.237 -4.033 -4.033 224 H VAL 30 H VAL 30 -9.262 2.311 2.311 225 HA VAL 30 HA VAL 30 -11.764 2.106 2.106 226 HB VAL 30 HB VAL 30 -10.136 1.936 1.936 227 1HG1 VAL 30 2HG1 VAL 30 -11.141 -0.208 -0.208 228 2HG1 VAL 30 3HG1 VAL 30 -10.063 -0.675 -0.675 229 3HG1 VAL 30 1HG1 VAL 30 -11.592 0.169 0.169 230 1HG2 VAL 30 2HG2 VAL 30 -8.164 2.109 2.109 231 2HG2 VAL 30 3HG2 VAL 30 -8.017 1.100 1.100 232 3HG2 VAL 30 1HG2 VAL 30 -8.415 0.349 0.349 233 H LYS 31 H LYS 31 -8.942 3.412 3.412 234 HA LYS 31 HA LYS 31 -10.115 6.050 6.050 235 1HB LYS 31 2HB LYS 31 -8.688 4.590 4.590 236 2HB LYS 31 1HB LYS 31 -7.694 5.967 5.967 237 1HG LYS 31 2HG LYS 31 -9.740 7.454 7.454 238 2HG LYS 31 1HG LYS 31 -10.623 6.055 6.055 239 1HD LYS 31 2HD LYS 31 -9.853 6.562 6.562 240 2HD LYS 31 1HD LYS 31 -8.283 5.996 5.996 241 1HE LYS 31 2HE LYS 31 -7.953 8.225 8.225 242 2HE LYS 31 1HE LYS 31 -7.805 8.344 8.344 243 1HZ LYS 31 1HZ LYS 31 -9.836 9.467 9.467 244 2HZ LYS 31 2HZ LYS 31 -9.362 9.953 9.953 245 H LYS 32 H LYS 32 -9.648 7.195 7.195 246 HA LYS 32 HA LYS 32 -7.725 6.765 6.765 247 1HB LYS 32 2HB LYS 32 -9.439 8.377 8.377 248 2HB LYS 32 1HB LYS 32 -8.922 9.373 9.373 249 1HG LYS 32 2HG LYS 32 -6.714 9.750 9.750 250 2HG LYS 32 1HG LYS 32 -7.319 8.835 8.835 251 1HD LYS 32 2HD LYS 32 -7.562 11.345 11.345 252 2HD LYS 32 1HD LYS 32 -9.063 10.461 10.461 253 1HE LYS 32 2HE LYS 32 -9.907 11.164 11.164 254 2HE LYS 32 1HE LYS 32 -8.313 11.469 11.469 255 1HZ LYS 32 1HZ LYS 32 -8.135 13.457 13.457 256 2HZ LYS 32 2HZ LYS 32 -9.377 13.089 13.089 257 H CYS 33 H CYS 33 -5.604 7.706 7.706 258 HA CYS 33 HA CYS 33 -3.931 7.544 7.544 259 1HB CYS 33 2HB CYS 33 -2.905 6.742 6.742 260 2HB CYS 33 1HB CYS 33 -3.559 7.990 7.990 261 HA PRO 34 HA PRO 34 -3.958 11.780 11.780 262 1HB PRO 34 2HB PRO 34 -1.691 11.938 11.938 263 2HB PRO 34 1HB PRO 34 -3.216 11.336 11.336 264 1HG PRO 34 2HG PRO 34 -0.793 9.819 9.819 265 2HG PRO 34 1HG PRO 34 -2.142 9.309 9.309 266 1HD PRO 34 2HD PRO 34 -1.642 8.566 8.566 267 2HD PRO 34 1HD PRO 34 -3.049 8.151 8.151 268 H ARG 35 H ARG 35 -0.905 10.537 10.537 269 HA ARG 35 HA ARG 35 -0.829 12.344 12.344 270 1HB ARG 35 2HB ARG 35 0.998 13.892 13.892 271 2HB ARG 35 1HB ARG 35 -0.467 14.107 14.107 272 1HG ARG 35 2HG ARG 35 0.862 12.134 12.134 273 2HG ARG 35 1HG ARG 35 2.192 13.110 13.110 274 1HD ARG 35 2HD ARG 35 0.546 15.118 15.118 275 2HD ARG 35 1HD ARG 35 -0.025 13.861 13.861 276 HE ARG 35 HE ARG 35 2.896 14.052 14.052 277 1HH1 ARG 35 2HH2 ARG 35 -0.034 15.323 15.323 278 2HH1 ARG 35 1HH2 ARG 35 0.794 15.858 15.858 279 HH2 ARG 35 1HH ARG 35 3.160 15.516 15.516 280 H ASP 36 H ASP 36 1.119 12.026 12.026 281 HA ASP 36 HA ASP 36 2.089 9.556 9.556 282 1HB ASP 36 2HB ASP 36 2.549 11.044 11.044 283 2HB ASP 36 1HB ASP 36 3.355 12.203 12.203 284 HD2 ASP 36 2HD ASP 36 4.216 9.887 9.887 285 H GLY 37 H GLY 37 3.784 8.373 8.373 286 1HA GLY 37 1HA GLY 37 5.812 8.211 8.211 287 2HA GLY 37 2HA GLY 37 5.591 9.829 9.829 288 H ALA 38 H ALA 38 2.676 9.348 9.348 289 HA ALA 38 HA ALA 38 2.813 8.787 8.787 290 1HB ALA 38 1HB ALA 38 0.817 9.623 9.623 291 2HB ALA 38 2HB ALA 38 0.585 8.035 8.035 292 3HB ALA 38 3HB ALA 38 0.407 8.203 8.203 293 H LYS 39 H LYS 39 3.591 7.101 7.101 294 HA LYS 39 HA LYS 39 4.259 4.665 4.665 295 1HB LYS 39 2HB LYS 39 5.315 5.664 5.664 296 2HB LYS 39 1HB LYS 39 3.868 5.296 5.296 297 1HG LYS 39 2HG LYS 39 4.852 2.961 2.961 298 2HG LYS 39 1HG LYS 39 6.053 3.580 3.580 299 1HD LYS 39 2HD LYS 39 4.815 3.023 3.023 300 2HD LYS 39 1HD LYS 39 3.282 3.383 3.383 301 1HE LYS 39 2HE LYS 39 4.013 1.215 1.215 302 2HE LYS 39 1HE LYS 39 4.858 0.829 0.829 303 1HZ LYS 39 1HZ LYS 39 2.329 1.667 1.667 304 2HZ LYS 39 2HZ LYS 39 2.071 0.689 0.689 305 H CYS 40 H CYS 40 3.331 2.551 2.551 306 HA CYS 40 HA CYS 40 0.768 2.283 2.283 307 1HB CYS 40 2HB CYS 40 -0.292 1.502 1.502 308 2HB CYS 40 1HB CYS 40 -0.216 3.220 3.220 309 H GLU 41 H GLU 41 0.110 -0.036 -0.036 310 HA GLU 41 HA GLU 41 2.372 -1.731 -1.731 311 1HB GLU 41 2HB GLU 41 1.417 -3.247 -3.247 312 2HB GLU 41 1HB GLU 41 2.325 -1.820 -1.820 313 1HG GLU 41 2HG GLU 41 0.351 -0.594 -0.594 314 2HG GLU 41 1HG GLU 41 -0.693 -1.684 -1.684 315 HE2 GLU 41 2HE GLU 41 -1.567 -2.984 -2.984 316 H PHE 42 H PHE 42 1.837 -3.938 -3.938 317 HA PHE 42 HA PHE 42 -0.876 -4.039 -4.039 318 1HB PHE 42 2HB PHE 42 0.798 -3.854 -3.854 319 2HB PHE 42 1HB PHE 42 1.905 -4.921 -4.921 320 HD1 PHE 42 2HD PHE 42 -1.261 -4.823 -4.823 321 HD2 PHE 42 1HD PHE 42 1.840 -7.264 -7.264 322 HE1 PHE 42 2HE PHE 42 -2.110 -6.764 -6.764 323 HE2 PHE 42 1HE PHE 42 0.991 -9.204 -9.204 324 HZ PHE 42 HZ PHE 42 -0.974 -8.931 -8.931 325 H ASP 43 H ASP 43 -2.109 -5.444 -5.444 326 HA ASP 43 HA ASP 43 -1.088 -7.327 -7.327 327 1HB ASP 43 2HB ASP 43 -3.510 -6.357 -6.357 328 2HB ASP 43 1HB ASP 43 -3.743 -7.658 -7.658 329 HD2 ASP 43 2HD ASP 43 -4.981 -9.427 -9.427 330 H SER 44 H SER 44 -0.630 -9.590 -9.590 331 HA SER 44 HA SER 44 -0.625 -10.488 -10.488 332 1HB SER 44 2HB SER 44 1.281 -11.845 -11.845 333 2HB SER 44 1HB SER 44 1.595 -10.278 -10.278 334 HG SER 44 HG SER 44 1.322 -11.084 -11.084 335 H TYR 45 H TYR 45 -2.859 -10.562 -10.562 336 HA TYR 45 HA TYR 45 -3.136 -13.483 -13.483 337 1HB TYR 45 2HB TYR 45 -4.878 -11.447 -11.447 338 2HB TYR 45 1HB TYR 45 -4.319 -12.998 -12.998 339 HD1 TYR 45 HD1 TYR 45 -1.332 -12.567 -12.567 340 HD2 TYR 45 HD2 TYR 45 -4.280 -10.099 -10.099 341 HE1 TYR 45 HE1 TYR 45 0.488 -11.395 -11.395 342 HE2 TYR 45 HE2 TYR 45 -2.450 -8.935 -8.935 343 HH TYR 45 HH TYR 45 -0.277 -9.263 -9.263 344 H LYS 46 H LYS 46 -4.349 -10.534 -10.534 345 HA LYS 46 HA LYS 46 -6.497 -12.113 -12.113 346 1HB LYS 46 2HB LYS 46 -6.776 -9.494 -9.494 347 2HB LYS 46 1HB LYS 46 -7.872 -9.908 -9.908 348 1HG LYS 46 2HG LYS 46 -7.577 -12.219 -12.219 349 2HG LYS 46 1HG LYS 46 -7.940 -10.822 -10.822 350 1HD LYS 46 2HD LYS 46 -9.744 -10.400 -10.400 351 2HD LYS 46 1HD LYS 46 -9.618 -12.145 -12.145 352 1HE LYS 46 2HE LYS 46 -9.852 -11.160 -11.160 353 2HE LYS 46 1HE LYS 46 -11.237 -10.759 -10.759 354 1HZ LYS 46 1HZ LYS 46 -10.121 -13.493 -13.493 355 2HZ LYS 46 2HZ LYS 46 -11.508 -12.949 -12.949 356 H GLY 47 H GLY 47 -4.738 -8.934 -8.934 357 1HA GLY 47 1HA GLY 47 -3.306 -8.552 -8.552 358 2HA GLY 47 2HA GLY 47 -4.574 -9.225 -9.225 359 H LYS 48 H LYS 48 -4.789 -6.921 -6.921 360 HA LYS 48 HA LYS 48 -6.120 -5.060 -5.060 361 1HB LYS 48 2HB LYS 48 -6.475 -5.518 -5.518 362 2HB LYS 48 1HB LYS 48 -7.157 -4.150 -4.150 363 1HG LYS 48 2HG LYS 48 -7.736 -7.102 -7.102 364 2HG LYS 48 1HG LYS 48 -8.851 -5.899 -5.899 365 1HD LYS 48 2HD LYS 48 -8.423 -4.627 -4.627 366 2HD LYS 48 1HD LYS 48 -7.712 -6.125 -6.125 367 1HE LYS 48 2HE LYS 48 -9.777 -7.331 -7.331 368 2HE LYS 48 1HE LYS 48 -10.485 -6.088 -6.088 369 1HZ LYS 48 1HZ LYS 48 -11.397 -5.710 -5.710 370 2HZ LYS 48 2HZ LYS 48 -10.207 -4.600 -4.600 371 H CYS 49 H CYS 49 -5.846 -2.674 -2.674 372 HA CYS 49 HA CYS 49 -3.029 -2.338 -2.338 373 1HB CYS 49 2HB CYS 49 -3.566 -0.028 -0.028 374 2HB CYS 49 1HB CYS 49 -2.911 -1.442 -1.442 375 H TYR 50 H TYR 50 -3.134 -1.884 -1.884 376 HA TYR 50 HA TYR 50 -5.320 -0.352 -0.352 377 1HB TYR 50 2HB TYR 50 -2.743 -1.712 -1.712 378 2HB TYR 50 1HB TYR 50 -3.498 -0.580 -0.580 379 HD1 TYR 50 HD2 TYR 50 -4.504 -3.489 -3.489 380 HD2 TYR 50 HD1 TYR 50 -4.949 -1.456 -1.456 381 HE1 TYR 50 HE2 TYR 50 -6.069 -5.318 -5.318 382 HE2 TYR 50 HE1 TYR 50 -6.512 -3.293 -3.293 383 HH TYR 50 HH TYR 50 -7.303 -5.286 -5.286 384 H CYS 51 H CYS 51 -4.675 1.472 1.472 385 HA CYS 51 HA CYS 51 -2.471 2.976 2.976 386 1HB CYS 51 2HB CYS 51 -4.166 4.973 4.973 387 2HB CYS 51 1HB CYS 51 -3.924 3.788 3.788 Start of MODEL 13 1 H ALA 1 H ALA 1 2.184 -12.183 -12.183 2 HA ALA 1 HA ALA 1 4.259 -10.826 -10.826 3 1HB ALA 1 1HB ALA 1 2.792 -12.725 -12.725 4 2HB ALA 1 2HB ALA 1 3.684 -11.594 -11.594 5 3HB ALA 1 3HB ALA 1 4.551 -12.535 -12.535 6 H THR 2 H THR 2 2.225 -8.816 -8.816 7 HA THR 2 HA THR 2 1.651 -7.416 -7.416 8 HB THR 2 HB THR 2 2.078 -6.007 -6.007 9 HG1 THR 2 1HG THR 2 0.013 -7.987 -7.987 10 1HG2 THR 2 1HG2 THR 2 0.653 -5.387 -5.387 11 2HG2 THR 2 2HG2 THR 2 -0.594 -6.200 -6.200 12 3HG2 THR 2 3HG2 THR 2 0.247 -4.769 -4.769 13 H TYR 3 H TYR 3 2.697 -5.917 -5.917 14 HA TYR 3 HA TYR 3 5.545 -5.648 -5.648 15 1HB TYR 3 2HB TYR 3 3.682 -5.018 -5.018 16 2HB TYR 3 1HB TYR 3 5.411 -4.740 -4.740 17 HD1 TYR 3 HD1 TYR 3 6.187 -7.308 -7.308 18 HD2 TYR 3 HD2 TYR 3 3.565 -6.589 -6.589 19 HE1 TYR 3 HE1 TYR 3 6.543 -9.692 -9.692 20 HE2 TYR 3 HE2 TYR 3 3.929 -8.975 -8.975 21 HH TYR 3 HH TYR 3 5.967 -11.209 -11.209 22 H ASN 4 H ASN 4 6.220 -3.316 -3.316 23 HA ASN 4 HA ASN 4 4.511 -1.275 -1.275 24 1HB ASN 4 2HB ASN 4 7.489 -0.994 -0.994 25 2HB ASN 4 1HB ASN 4 6.170 -0.296 -0.296 26 1HD2 ASN 4 2HD2 ASN 4 5.392 -3.404 -3.404 27 2HD2 ASN 4 1HD2 ASN 4 4.605 -2.161 -2.161 28 H GLY 5 H GLY 5 4.319 0.354 0.354 29 1HA GLY 5 1HA GLY 5 6.596 0.912 0.912 30 2HA GLY 5 2HA GLY 5 5.099 0.387 0.387 31 H LYS 6 H LYS 6 4.408 2.275 2.275 32 HA LYS 6 HA LYS 6 3.508 4.360 4.360 33 1HB LYS 6 2HB LYS 6 5.168 5.167 5.167 34 2HB LYS 6 1HB LYS 6 4.645 6.146 6.146 35 1HG LYS 6 2HG LYS 6 6.101 4.823 4.823 36 2HG LYS 6 1HG LYS 6 6.602 3.806 3.806 37 1HD LYS 6 2HD LYS 6 7.598 5.769 5.769 38 2HD LYS 6 1HD LYS 6 7.041 6.828 6.828 39 1HE LYS 6 2HE LYS 6 8.441 4.812 4.812 40 2HE LYS 6 1HE LYS 6 9.400 5.060 5.060 41 1HZ LYS 6 1HZ LYS 6 9.787 7.273 7.273 42 2HZ LYS 6 2HZ LYS 6 8.471 7.411 7.411 43 H CYS 7 H CYS 7 1.947 5.837 5.837 44 HA CYS 7 HA CYS 7 0.881 4.650 4.650 45 1HB CYS 7 2HB CYS 7 -1.397 5.444 5.444 46 2HB CYS 7 1HB CYS 7 -0.811 3.796 3.796 47 H TYR 8 H TYR 8 -0.491 6.248 6.248 48 HA TYR 8 HA TYR 8 0.375 8.988 8.988 49 1HB TYR 8 2HB TYR 8 -0.521 7.502 7.502 50 2HB TYR 8 1HB TYR 8 -0.139 9.212 9.212 51 HD1 TYR 8 HD2 TYR 8 2.127 8.044 8.044 52 HD2 TYR 8 HD1 TYR 8 1.296 7.753 7.753 53 HE1 TYR 8 HE2 TYR 8 4.569 7.503 7.503 54 HE2 TYR 8 HE1 TYR 8 3.741 7.213 7.213 55 HH TYR 8 HH TYR 8 6.119 7.848 7.848 56 H LYS 9 H LYS 9 -1.227 10.686 10.686 57 HA LYS 9 HA LYS 9 -3.912 9.859 9.859 58 1HB LYS 9 2HB LYS 9 -4.285 12.249 12.249 59 2HB LYS 9 1HB LYS 9 -2.979 11.563 11.563 60 1HG LYS 9 2HG LYS 9 -1.813 13.401 13.401 61 2HG LYS 9 1HG LYS 9 -1.555 12.443 12.443 62 1HD LYS 9 2HD LYS 9 -2.371 14.637 14.637 63 2HD LYS 9 1HD LYS 9 -3.623 13.459 13.459 64 1HE LYS 9 2HE LYS 9 -5.056 14.312 14.312 65 2HE LYS 9 1HE LYS 9 -3.764 14.664 14.664 66 1HZ LYS 9 1HZ LYS 9 -3.592 16.319 16.319 67 2HZ LYS 9 2HZ LYS 9 -5.035 16.500 16.500 68 H LYS 10 H LYS 10 -2.050 11.785 11.785 69 HA LYS 10 HA LYS 10 -4.183 12.504 12.504 70 1HB LYS 10 2HB LYS 10 -1.592 13.069 13.069 71 2HB LYS 10 1HB LYS 10 -1.546 11.794 11.794 72 1HG LYS 10 2HG LYS 10 -2.814 12.993 12.993 73 2HG LYS 10 1HG LYS 10 -3.738 13.823 13.823 74 1HD LYS 10 2HD LYS 10 -1.520 15.065 15.065 75 2HD LYS 10 1HD LYS 10 -0.908 14.439 14.439 76 1HE LYS 10 2HE LYS 10 -3.315 15.443 15.443 77 2HE LYS 10 1HE LYS 10 -2.996 16.529 16.529 78 1HZ LYS 10 1HZ LYS 10 -0.999 17.245 17.245 79 2HZ LYS 10 2HZ LYS 10 -0.906 15.979 15.979 80 H ASP 11 H ASP 11 -2.053 9.573 9.573 81 HA ASP 11 HA ASP 11 -3.911 8.496 8.496 82 1HB ASP 11 2HB ASP 11 -1.155 8.278 8.278 83 2HB ASP 11 1HB ASP 11 -1.735 6.748 6.748 84 HD2 ASP 11 2HD ASP 11 -0.913 7.920 7.920 85 H ASN 12 H ASN 12 -3.604 8.703 8.703 86 HA ASN 12 HA ASN 12 -4.163 7.468 7.468 87 1HB ASN 12 2HB ASN 12 -6.378 8.132 8.132 88 2HB ASN 12 1HB ASN 12 -6.513 6.402 6.402 89 1HD2 ASN 12 2HD2 ASN 12 -7.993 5.836 5.836 90 2HD2 ASN 12 1HD2 ASN 12 -7.776 5.451 5.451 91 H ILE 13 H ILE 13 -2.220 5.962 5.962 92 HA ILE 13 HA ILE 13 -3.302 3.257 3.257 93 HB ILE 13 HB ILE 13 -1.203 2.799 2.799 94 1HG1 ILE 13 2HG1 ILE 13 -0.795 4.976 4.976 95 2HG1 ILE 13 3HG1 ILE 13 -1.248 5.794 5.794 96 1HG2 ILE 13 2HG2 ILE 13 -3.844 3.794 3.794 97 2HG2 ILE 13 3HG2 ILE 13 -2.635 4.121 4.121 98 3HG2 ILE 13 1HG2 ILE 13 -2.895 2.457 2.457 99 1HD1 ILE 13 2HD1 ILE 13 0.466 4.302 4.302 100 2HD1 ILE 13 3HD1 ILE 13 1.032 3.817 3.817 101 3HD1 ILE 13 1HD1 ILE 13 1.136 5.521 5.521 102 H CYS 14 H CYS 14 -1.326 1.643 1.643 103 HA CYS 14 HA CYS 14 0.183 2.795 2.795 104 1HB CYS 14 2HB CYS 14 -1.983 1.163 1.163 105 2HB CYS 14 1HB CYS 14 -0.671 0.001 0.001 106 H LYS 15 H LYS 15 2.268 2.704 2.704 107 HA LYS 15 HA LYS 15 2.992 0.387 0.387 108 1HB LYS 15 2HB LYS 15 4.603 2.907 2.907 109 2HB LYS 15 1HB LYS 15 4.839 1.695 1.695 110 1HG LYS 15 2HG LYS 15 2.929 2.370 2.370 111 2HG LYS 15 1HG LYS 15 2.168 3.108 3.108 112 1HD LYS 15 2HD LYS 15 3.193 4.697 4.697 113 2HD LYS 15 1HD LYS 15 3.543 5.040 5.040 114 1HE LYS 15 2HE LYS 15 5.776 4.414 4.414 115 2HE LYS 15 1HE LYS 15 5.450 3.188 3.188 116 1HZ LYS 15 1HZ LYS 15 6.025 5.995 5.995 117 2HZ LYS 15 2HZ LYS 15 6.276 4.748 4.748 118 H TYR 16 H TYR 16 4.460 -1.147 -1.147 119 HA TYR 16 HA TYR 16 6.252 -0.695 -0.695 120 1HB TYR 16 2HB TYR 16 5.096 -2.233 -2.233 121 2HB TYR 16 1HB TYR 16 4.027 -0.902 -0.902 122 HD1 TYR 16 HD1 TYR 16 2.503 -1.409 -1.409 123 HD2 TYR 16 HD2 TYR 16 4.158 -4.349 -4.349 124 HE1 TYR 16 HE1 TYR 16 0.715 -3.068 -3.068 125 HE2 TYR 16 HE2 TYR 16 2.364 -5.998 -5.998 126 HH TYR 16 HH TYR 16 0.824 -6.412 -6.412 127 H LYS 17 H LYS 17 7.390 -2.806 -2.806 128 HA LYS 17 HA LYS 17 7.635 -4.384 -4.384 129 1HB LYS 17 2HB LYS 17 9.394 -3.771 -3.771 130 2HB LYS 17 1HB LYS 17 9.653 -5.275 -5.275 131 1HG LYS 17 2HG LYS 17 9.289 -2.848 -2.848 132 2HG LYS 17 1HG LYS 17 10.753 -2.881 -2.881 133 1HD LYS 17 2HD LYS 17 10.621 -5.486 -5.486 134 2HD LYS 17 1HD LYS 17 10.019 -4.510 -4.510 135 1HE LYS 17 2HE LYS 17 12.067 -2.999 -2.999 136 2HE LYS 17 1HE LYS 17 12.685 -4.169 -4.169 137 1HZ LYS 17 1HZ LYS 17 13.071 -5.692 -5.692 138 2HZ LYS 17 2HZ LYS 17 11.844 -5.195 -5.195 139 H ALA 18 H ALA 18 7.189 -6.574 -6.574 140 HA ALA 18 HA ALA 18 5.611 -7.607 -7.607 141 1HB ALA 18 2HB ALA 18 5.091 -7.582 -7.582 142 2HB ALA 18 3HB ALA 18 6.037 -9.089 -9.089 143 3HB ALA 18 1HB ALA 18 4.569 -8.929 -8.929 144 H GLN 19 H GLN 19 8.452 -7.284 -7.284 145 HA GLN 19 HA GLN 19 10.097 -8.389 -8.389 146 1HB GLN 19 2HB GLN 19 8.779 -9.750 -9.750 147 2HB GLN 19 1HB GLN 19 7.992 -10.541 -10.541 148 1HG GLN 19 2HG GLN 19 9.531 -12.123 -12.123 149 2HG GLN 19 1HG GLN 19 10.126 -11.739 -11.739 150 1HE2 GLN 19 2HE2 GLN 19 11.978 -10.043 -10.043 151 2HE2 GLN 19 1HE2 GLN 19 10.273 -10.346 -10.346 152 H SER 20 H SER 20 8.575 -10.636 -10.636 153 HA SER 20 HA SER 20 11.210 -11.251 -11.251 154 1HB SER 20 2HB SER 20 9.480 -12.579 -12.579 155 2HB SER 20 1HB SER 20 10.112 -13.236 -13.236 156 HG SER 20 HG SER 20 8.102 -13.300 -13.300 157 H GLY 21 H GLY 21 9.288 -8.651 -8.651 158 1HA GLY 21 1HA GLY 21 9.330 -6.985 -6.985 159 2HA GLY 21 2HA GLY 21 10.382 -7.948 -7.948 160 H LYS 22 H LYS 22 7.766 -9.915 -9.915 161 HA LYS 22 HA LYS 22 6.765 -10.069 -10.069 162 1HB LYS 22 2HB LYS 22 6.559 -11.816 -11.816 163 2HB LYS 22 1HB LYS 22 5.415 -10.818 -10.818 164 1HG LYS 22 2HG LYS 22 3.856 -10.852 -10.852 165 2HG LYS 22 1HG LYS 22 5.017 -11.748 -11.748 166 1HD LYS 22 2HD LYS 22 4.934 -13.524 -13.524 167 2HD LYS 22 1HD LYS 22 3.479 -12.695 -12.695 168 1HE LYS 22 2HE LYS 22 2.906 -12.959 -12.959 169 2HE LYS 22 1HE LYS 22 3.955 -14.349 -14.349 170 1HZ LYS 22 1HZ LYS 22 2.135 -15.360 -15.360 171 2HZ LYS 22 2HZ LYS 22 2.298 -14.462 -14.462 172 H THR 23 H THR 23 4.563 -9.087 -9.087 173 HA THR 23 HA THR 23 2.877 -7.618 -7.618 174 HB THR 23 HB THR 23 3.208 -8.298 -8.298 175 HG1 THR 23 1HG THR 23 1.273 -6.753 -6.753 176 1HG2 THR 23 1HG2 THR 23 4.035 -5.753 -5.753 177 2HG2 THR 23 2HG2 THR 23 2.305 -5.413 -5.413 178 3HG2 THR 23 3HG2 THR 23 2.843 -6.318 -6.318 179 H ALA 24 H ALA 24 2.458 -5.099 -5.099 180 HA ALA 24 HA ALA 24 4.438 -3.342 -3.342 181 1HB ALA 24 1HB ALA 24 4.698 -4.590 -4.590 182 2HB ALA 24 2HB ALA 24 4.889 -2.823 -2.823 183 3HB ALA 24 3HB ALA 24 5.942 -3.881 -3.881 184 H ILE 25 H ILE 25 3.206 -1.583 -1.583 185 HA ILE 25 HA ILE 25 1.603 -0.073 -0.073 186 HB ILE 25 HB ILE 25 1.400 -0.711 -0.711 187 1HG1 ILE 25 2HG1 ILE 25 3.603 0.595 0.595 188 2HG1 ILE 25 3HG1 ILE 25 3.685 -0.463 -0.463 189 1HG2 ILE 25 3HG2 ILE 25 -0.298 0.814 0.814 190 2HG2 ILE 25 1HG2 ILE 25 0.988 1.864 1.864 191 3HG2 ILE 25 2HG2 ILE 25 0.815 1.643 1.643 192 1HD1 ILE 25 3HD1 ILE 25 2.660 2.414 2.414 193 2HD1 ILE 25 1HD1 ILE 25 4.265 1.879 1.879 194 3HD1 ILE 25 2HD1 ILE 25 2.802 1.339 1.339 195 H CYS 26 H CYS 26 -0.573 -0.009 -0.009 196 HA CYS 26 HA CYS 26 -2.359 -1.897 -1.897 197 1HB CYS 26 2HB CYS 26 -1.057 -3.115 -3.115 198 2HB CYS 26 1HB CYS 26 -2.053 -2.163 -2.163 199 H LYS 27 H LYS 27 -4.074 -0.534 -0.534 200 HA LYS 27 HA LYS 27 -4.498 1.926 1.926 201 1HB LYS 27 2HB LYS 27 -6.777 -0.065 -0.065 202 2HB LYS 27 1HB LYS 27 -6.835 1.637 1.637 203 1HG LYS 27 2HG LYS 27 -4.987 0.941 0.941 204 2HG LYS 27 1HG LYS 27 -5.667 -0.659 -0.659 205 1HD LYS 27 2HD LYS 27 -7.614 -0.125 -0.125 206 2HD LYS 27 1HD LYS 27 -7.734 1.441 1.441 207 1HE LYS 27 2HE LYS 27 -6.386 2.507 2.507 208 2HE LYS 27 1HE LYS 27 -5.587 1.020 1.020 209 1HZ LYS 27 1HZ LYS 27 -8.121 0.459 0.459 210 2HZ LYS 27 2HZ LYS 27 -8.137 2.068 2.068 211 H CYS 28 H CYS 28 -5.341 3.132 3.132 212 HA CYS 28 HA CYS 28 -4.815 1.998 1.998 213 1HB CYS 28 2HB CYS 28 -5.815 4.643 4.643 214 2HB CYS 28 1HB CYS 28 -5.966 4.252 4.252 215 H TYR 29 H TYR 29 -6.459 0.127 0.127 216 HA TYR 29 HA TYR 29 -9.137 0.400 0.400 217 1HB TYR 29 2HB TYR 29 -7.524 -1.669 -1.669 218 2HB TYR 29 1HB TYR 29 -7.635 -1.549 -1.549 219 HD1 TYR 29 HD2 TYR 29 -10.350 -1.108 -1.108 220 HD2 TYR 29 HD1 TYR 29 -8.767 -3.504 -3.504 221 HE1 TYR 29 HE2 TYR 29 -12.446 -2.547 -2.547 222 HE2 TYR 29 HE1 TYR 29 -10.868 -4.934 -4.934 223 HH TYR 29 HH TYR 29 -13.667 -3.980 -3.980 224 H VAL 30 H VAL 30 -10.641 1.467 1.467 225 HA VAL 30 HA VAL 30 -11.813 2.153 2.153 226 HB VAL 30 HB VAL 30 -11.879 0.911 0.911 227 1HG1 VAL 30 3HG1 VAL 30 -11.310 -0.565 -0.565 228 2HG1 VAL 30 1HG1 VAL 30 -9.926 -1.031 -1.031 229 3HG1 VAL 30 2HG1 VAL 30 -11.587 -1.283 -1.283 230 1HG2 VAL 30 3HG2 VAL 30 -8.985 1.468 1.468 231 2HG2 VAL 30 1HG2 VAL 30 -10.190 1.408 1.408 232 3HG2 VAL 30 2HG2 VAL 30 -9.458 -0.098 -0.098 233 H LYS 31 H LYS 31 -11.778 3.971 3.971 234 HA LYS 31 HA LYS 31 -11.003 5.933 5.933 235 1HB LYS 31 2HB LYS 31 -9.603 3.981 3.981 236 2HB LYS 31 1HB LYS 31 -8.324 5.029 5.029 237 1HG LYS 31 2HG LYS 31 -8.820 6.470 6.470 238 2HG LYS 31 1HG LYS 31 -10.346 6.804 6.804 239 1HD LYS 31 2HD LYS 31 -10.723 4.312 4.312 240 2HD LYS 31 1HD LYS 31 -9.839 5.305 5.305 241 1HE LYS 31 2HE LYS 31 -12.378 6.205 6.205 242 2HE LYS 31 1HE LYS 31 -12.354 5.539 5.539 243 1HZ LYS 31 1HZ LYS 31 -10.598 7.823 7.823 244 2HZ LYS 31 2HZ LYS 31 -12.186 8.113 8.113 245 H LYS 32 H LYS 32 -8.731 7.396 7.396 246 HA LYS 32 HA LYS 32 -7.659 7.044 7.044 247 1HB LYS 32 2HB LYS 32 -9.639 8.565 8.565 248 2HB LYS 32 1HB LYS 32 -8.838 9.654 9.654 249 1HG LYS 32 2HG LYS 32 -6.824 9.428 9.428 250 2HG LYS 32 1HG LYS 32 -8.132 9.004 9.004 251 1HD LYS 32 2HD LYS 32 -8.146 11.517 11.517 252 2HD LYS 32 1HD LYS 32 -7.550 11.492 11.492 253 1HE LYS 32 2HE LYS 32 -9.789 10.673 10.673 254 2HE LYS 32 1HE LYS 32 -10.382 10.726 10.726 255 1HZ LYS 32 1HZ LYS 32 -10.562 12.975 12.975 256 2HZ LYS 32 2HZ LYS 32 -9.167 13.197 13.197 257 H CYS 33 H CYS 33 -5.555 7.953 7.953 258 HA CYS 33 HA CYS 33 -4.032 7.940 7.940 259 1HB CYS 33 2HB CYS 33 -3.473 7.420 7.420 260 2HB CYS 33 1HB CYS 33 -2.892 9.072 9.072 261 HA PRO 34 HA PRO 34 -4.298 12.194 12.194 262 1HB PRO 34 2HB PRO 34 -2.137 12.489 12.489 263 2HB PRO 34 1HB PRO 34 -3.672 11.837 11.837 264 1HG PRO 34 2HG PRO 34 -1.145 10.409 10.409 265 2HG PRO 34 1HG PRO 34 -2.530 9.866 9.866 266 1HD PRO 34 2HD PRO 34 -1.832 9.077 9.077 267 2HD PRO 34 1HD PRO 34 -3.277 8.625 8.625 268 H ARG 35 H ARG 35 -1.052 11.124 11.124 269 HA ARG 35 HA ARG 35 -0.990 13.034 13.034 270 1HB ARG 35 2HB ARG 35 0.898 14.410 14.410 271 2HB ARG 35 1HB ARG 35 -0.487 14.558 14.558 272 1HG ARG 35 2HG ARG 35 1.103 12.299 12.299 273 2HG ARG 35 1HG ARG 35 2.166 13.677 13.677 274 1HD ARG 35 2HD ARG 35 0.323 15.017 15.017 275 2HD ARG 35 1HD ARG 35 -0.264 13.439 13.439 276 HE ARG 35 HE ARG 35 2.602 13.645 13.645 277 1HH1 ARG 35 2HH2 ARG 35 -0.507 14.578 14.578 278 2HH1 ARG 35 1HH2 ARG 35 0.122 14.690 14.690 279 HH2 ARG 35 1HH ARG 35 2.440 14.223 14.223 280 H ASP 36 H ASP 36 0.753 12.575 12.575 281 HA ASP 36 HA ASP 36 1.589 10.102 10.102 282 1HB ASP 36 2HB ASP 36 2.244 11.419 11.419 283 2HB ASP 36 1HB ASP 36 2.736 12.752 12.752 284 HD2 ASP 36 2HD ASP 36 5.075 11.366 11.366 285 H GLY 37 H GLY 37 3.169 8.710 8.710 286 1HA GLY 37 1HA GLY 37 5.265 8.353 8.353 287 2HA GLY 37 2HA GLY 37 5.126 9.898 9.898 288 H ALA 38 H ALA 38 2.167 9.389 9.389 289 HA ALA 38 HA ALA 38 2.252 8.647 8.647 290 1HB ALA 38 1HB ALA 38 0.278 8.932 8.932 291 2HB ALA 38 2HB ALA 38 -0.073 7.406 7.406 292 3HB ALA 38 3HB ALA 38 0.040 8.927 8.927 293 H LYS 39 H LYS 39 3.012 6.929 6.929 294 HA LYS 39 HA LYS 39 3.760 4.561 4.561 295 1HB LYS 39 2HB LYS 39 5.009 5.505 5.505 296 2HB LYS 39 1HB LYS 39 3.652 5.176 5.176 297 1HG LYS 39 2HG LYS 39 3.848 2.702 2.702 298 2HG LYS 39 1HG LYS 39 5.421 3.172 3.172 299 1HD LYS 39 2HD LYS 39 5.582 4.197 4.197 300 2HD LYS 39 1HD LYS 39 4.504 2.845 2.845 301 1HE LYS 39 2HE LYS 39 6.237 1.385 1.385 302 2HE LYS 39 1HE LYS 39 6.636 1.933 1.933 303 1HZ LYS 39 1HZ LYS 39 8.508 2.652 2.652 304 2HZ LYS 39 2HZ LYS 39 7.614 3.947 3.947 305 H CYS 40 H CYS 40 2.931 2.399 2.399 306 HA CYS 40 HA CYS 40 0.400 2.155 2.155 307 1HB CYS 40 2HB CYS 40 -0.502 2.937 2.937 308 2HB CYS 40 1HB CYS 40 0.626 2.014 2.014 309 H GLU 41 H GLU 41 -0.281 -0.242 -0.242 310 HA GLU 41 HA GLU 41 2.084 -1.896 -1.896 311 1HB GLU 41 2HB GLU 41 0.250 -2.902 -2.902 312 2HB GLU 41 1HB GLU 41 1.991 -2.713 -2.713 313 1HG GLU 41 2HG GLU 41 -0.066 -0.496 -0.496 314 2HG GLU 41 1HG GLU 41 0.912 -1.247 -1.247 315 HE2 GLU 41 2HE GLU 41 2.117 1.815 1.815 316 H PHE 42 H PHE 42 1.754 -3.516 -3.516 317 HA PHE 42 HA PHE 42 -0.947 -4.002 -4.002 318 1HB PHE 42 2HB PHE 42 0.845 -3.792 -3.792 319 2HB PHE 42 1HB PHE 42 1.892 -4.871 -4.871 320 HD1 PHE 42 2HD PHE 42 -1.116 -4.722 -4.722 321 HD2 PHE 42 1HD PHE 42 1.779 -7.230 -7.230 322 HE1 PHE 42 2HE PHE 42 -1.908 -6.653 -6.653 323 HE2 PHE 42 1HE PHE 42 0.988 -9.160 -9.160 324 HZ PHE 42 HZ PHE 42 -0.846 -8.848 -8.848 325 H ASP 43 H ASP 43 -2.204 -5.428 -5.428 326 HA ASP 43 HA ASP 43 -1.157 -7.282 -7.282 327 1HB ASP 43 2HB ASP 43 -3.683 -6.307 -6.307 328 2HB ASP 43 1HB ASP 43 -3.780 -7.984 -7.984 329 HD1 ASP 43 2HD ASP 43 -2.896 -8.752 -8.752 330 H SER 44 H SER 44 -0.341 -9.364 -9.364 331 HA SER 44 HA SER 44 -0.373 -10.280 -10.280 332 1HB SER 44 2HB SER 44 1.389 -11.751 -11.751 333 2HB SER 44 1HB SER 44 1.692 -10.270 -10.270 334 HG SER 44 HG SER 44 1.078 -11.213 -11.213 335 H TYR 45 H TYR 45 -2.070 -10.776 -10.776 336 HA TYR 45 HA TYR 45 -2.773 -13.489 -13.489 337 1HB TYR 45 2HB TYR 45 -4.035 -12.988 -12.988 338 2HB TYR 45 1HB TYR 45 -2.895 -11.657 -11.657 339 HD1 TYR 45 HD1 TYR 45 -3.970 -9.851 -9.851 340 HD2 TYR 45 HD2 TYR 45 -6.010 -12.151 -12.151 341 HE1 TYR 45 HE1 TYR 45 -5.904 -8.200 -8.200 342 HE2 TYR 45 HE2 TYR 45 -7.937 -10.493 -10.493 343 HH TYR 45 HH TYR 45 -8.517 -8.431 -8.431 344 H LYS 46 H LYS 46 -3.597 -10.707 -10.707 345 HA LYS 46 HA LYS 46 -5.693 -12.184 -12.184 346 1HB LYS 46 2HB LYS 46 -6.254 -9.542 -9.542 347 2HB LYS 46 1HB LYS 46 -7.289 -10.251 -10.251 348 1HG LYS 46 2HG LYS 46 -7.217 -12.402 -12.402 349 2HG LYS 46 1HG LYS 46 -6.665 -11.298 -11.298 350 1HD LYS 46 2HD LYS 46 -8.682 -9.944 -9.944 351 2HD LYS 46 1HD LYS 46 -9.192 -10.795 -10.795 352 1HE LYS 46 2HE LYS 46 -9.836 -12.722 -12.722 353 2HE LYS 46 1HE LYS 46 -8.726 -12.415 -12.415 354 1HZ LYS 46 1HZ LYS 46 -10.159 -10.801 -10.801 355 2HZ LYS 46 2HZ LYS 46 -10.993 -10.583 -10.583 356 H GLY 47 H GLY 47 -4.320 -8.824 -8.824 357 1HA GLY 47 1HA GLY 47 -2.656 -8.258 -8.258 358 2HA GLY 47 2HA GLY 47 -3.730 -8.996 -8.996 359 H LYS 48 H LYS 48 -4.461 -6.836 -6.836 360 HA LYS 48 HA LYS 48 -5.895 -5.107 -5.107 361 1HB LYS 48 2HB LYS 48 -6.187 -5.758 -5.758 362 2HB LYS 48 1HB LYS 48 -6.735 -4.197 -4.197 363 1HG LYS 48 2HG LYS 48 -8.671 -5.357 -5.357 364 2HG LYS 48 1HG LYS 48 -7.835 -5.749 -5.749 365 1HD LYS 48 2HD LYS 48 -8.099 -7.937 -7.937 366 2HD LYS 48 1HD LYS 48 -6.874 -7.686 -7.686 367 1HE LYS 48 2HE LYS 48 -8.404 -7.996 -7.996 368 2HE LYS 48 1HE LYS 48 -9.381 -6.680 -6.680 369 1HZ LYS 48 1HZ LYS 48 -9.536 -9.205 -9.205 370 2HZ LYS 48 2HZ LYS 48 -10.246 -9.175 -9.175 371 H CYS 49 H CYS 49 -5.876 -2.669 -2.669 372 HA CYS 49 HA CYS 49 -3.057 -2.053 -2.053 373 1HB CYS 49 2HB CYS 49 -4.700 -0.048 -0.048 374 2HB CYS 49 1HB CYS 49 -3.000 -0.445 -0.445 375 H TYR 50 H TYR 50 -2.915 -1.273 -1.273 376 HA TYR 50 HA TYR 50 -5.261 0.030 0.030 377 1HB TYR 50 2HB TYR 50 -2.617 -1.210 -1.210 378 2HB TYR 50 1HB TYR 50 -3.457 -0.136 -0.136 379 HD1 TYR 50 HD2 TYR 50 -3.865 -3.282 -3.282 380 HD2 TYR 50 HD1 TYR 50 -5.254 -0.919 -0.919 381 HE1 TYR 50 HE2 TYR 50 -5.322 -5.213 -5.213 382 HE2 TYR 50 HE1 TYR 50 -6.706 -2.857 -2.857 383 HH TYR 50 HH TYR 50 -7.525 -4.814 -4.814 384 H CYS 51 H CYS 51 -4.645 1.835 1.835 385 HA CYS 51 HA CYS 51 -2.490 3.402 3.402 386 1HB CYS 51 2HB CYS 51 -4.712 3.629 3.629 387 2HB CYS 51 1HB CYS 51 -5.220 4.664 4.664 Start of MODEL 14 1 H ALA 1 H ALA 1 2.170 -12.308 -12.308 2 HA ALA 1 HA ALA 1 4.469 -11.147 -11.147 3 1HB ALA 1 1HB ALA 1 2.489 -13.002 -13.002 4 2HB ALA 1 2HB ALA 1 3.194 -12.021 -12.021 5 3HB ALA 1 3HB ALA 1 4.252 -12.975 -12.975 6 H THR 2 H THR 2 2.642 -9.002 -9.002 7 HA THR 2 HA THR 2 1.746 -7.712 -7.712 8 HB THR 2 HB THR 2 2.260 -6.353 -6.353 9 HG1 THR 2 1HG THR 2 0.522 -7.596 -7.596 10 1HG2 THR 2 3HG2 THR 2 0.703 -5.798 -5.798 11 2HG2 THR 2 1HG2 THR 2 -0.435 -6.195 -6.195 12 3HG2 THR 2 2HG2 THR 2 0.738 -4.873 -4.873 13 H TYR 3 H TYR 3 2.559 -5.800 -5.800 14 HA TYR 3 HA TYR 3 5.474 -5.598 -5.598 15 1HB TYR 3 2HB TYR 3 3.606 -4.681 -4.681 16 2HB TYR 3 1HB TYR 3 5.345 -4.868 -4.868 17 HD1 TYR 3 HD1 TYR 3 5.132 -7.618 -7.618 18 HD2 TYR 3 HD2 TYR 3 3.350 -6.090 -6.090 19 HE1 TYR 3 HE1 TYR 3 4.820 -9.988 -9.988 20 HE2 TYR 3 HE2 TYR 3 3.045 -8.465 -8.465 21 HH TYR 3 HH TYR 3 2.864 -10.672 -10.672 22 H ASN 4 H ASN 4 5.937 -3.188 -3.188 23 HA ASN 4 HA ASN 4 4.225 -1.226 -1.226 24 1HB ASN 4 2HB ASN 4 7.100 -1.687 -1.687 25 2HB ASN 4 1HB ASN 4 6.381 -0.093 -0.093 26 1HD2 ASN 4 2HD2 ASN 4 5.072 -3.226 -3.226 27 2HD2 ASN 4 1HD2 ASN 4 5.943 -3.486 -3.486 28 H GLY 5 H GLY 5 4.765 0.977 0.977 29 1HA GLY 5 1HA GLY 5 6.925 1.467 1.467 30 2HA GLY 5 2HA GLY 5 5.566 0.926 0.926 31 H LYS 6 H LYS 6 4.728 2.748 2.748 32 HA LYS 6 HA LYS 6 3.697 4.777 4.777 33 1HB LYS 6 2HB LYS 6 5.312 5.659 5.659 34 2HB LYS 6 1HB LYS 6 4.746 6.613 6.613 35 1HG LYS 6 2HG LYS 6 6.287 5.458 5.458 36 2HG LYS 6 1HG LYS 6 6.765 4.338 4.338 37 1HD LYS 6 2HD LYS 6 7.624 6.311 6.311 38 2HD LYS 6 1HD LYS 6 7.257 7.353 7.353 39 1HE LYS 6 2HE LYS 6 8.755 5.824 5.824 40 2HE LYS 6 1HE LYS 6 9.251 5.043 5.043 41 1HZ LYS 6 1HZ LYS 6 10.006 7.634 7.634 42 2HZ LYS 6 2HZ LYS 6 10.776 6.692 6.692 43 H CYS 7 H CYS 7 2.137 6.251 6.251 44 HA CYS 7 HA CYS 7 1.093 4.957 4.957 45 1HB CYS 7 2HB CYS 7 -1.235 5.571 5.571 46 2HB CYS 7 1HB CYS 7 -0.460 4.020 4.020 47 H TYR 8 H TYR 8 -0.432 6.496 6.496 48 HA TYR 8 HA TYR 8 0.314 9.282 9.282 49 1HB TYR 8 2HB TYR 8 -0.296 7.768 7.768 50 2HB TYR 8 1HB TYR 8 0.061 9.483 9.483 51 HD1 TYR 8 HD1 TYR 8 2.210 8.735 8.735 52 HD2 TYR 8 HD2 TYR 8 1.601 7.643 7.643 53 HE1 TYR 8 HE1 TYR 8 4.689 8.226 8.226 54 HE2 TYR 8 HE2 TYR 8 4.083 7.137 7.137 55 HH TYR 8 HH TYR 8 6.198 7.949 7.949 56 H LYS 9 H LYS 9 -1.294 10.911 10.911 57 HA LYS 9 HA LYS 9 -3.911 10.104 10.104 58 1HB LYS 9 2HB LYS 9 -2.417 12.565 12.565 59 2HB LYS 9 1HB LYS 9 -3.988 12.714 12.714 60 1HG LYS 9 2HG LYS 9 -5.017 11.749 11.749 61 2HG LYS 9 1HG LYS 9 -3.433 11.859 11.859 62 1HD LYS 9 2HD LYS 9 -3.513 14.160 14.160 63 2HD LYS 9 1HD LYS 9 -4.350 14.353 14.353 64 1HE LYS 9 2HE LYS 9 -6.035 12.972 12.972 65 2HE LYS 9 1HE LYS 9 -5.492 14.529 14.529 66 1HZ LYS 9 1HZ LYS 9 -6.237 14.970 14.970 67 2HZ LYS 9 2HZ LYS 9 -7.405 14.001 14.001 68 H LYS 10 H LYS 10 -2.999 12.016 12.016 69 HA LYS 10 HA LYS 10 -5.153 11.487 11.487 70 1HB LYS 10 2HB LYS 10 -3.071 12.917 12.917 71 2HB LYS 10 1HB LYS 10 -2.381 11.471 11.471 72 1HG LYS 10 2HG LYS 10 -4.814 11.415 11.415 73 2HG LYS 10 1HG LYS 10 -4.685 13.142 13.142 74 1HD LYS 10 2HD LYS 10 -2.272 11.734 11.734 75 2HD LYS 10 1HD LYS 10 -3.650 11.943 11.943 76 1HE LYS 10 2HE LYS 10 -3.580 14.338 14.338 77 2HE LYS 10 1HE LYS 10 -2.546 14.283 14.283 78 1HZ LYS 10 1HZ LYS 10 -0.901 13.118 13.118 79 2HZ LYS 10 2HZ LYS 10 -1.801 13.783 13.783 80 H ASP 11 H ASP 11 -2.110 9.547 9.547 81 HA ASP 11 HA ASP 11 -3.262 7.586 7.586 82 1HB ASP 11 2HB ASP 11 -1.074 7.147 7.147 83 2HB ASP 11 1HB ASP 11 -1.337 6.196 6.196 84 HD2 ASP 11 2HD ASP 11 0.330 9.816 9.816 85 H ASN 12 H ASN 12 -3.415 8.248 8.248 86 HA ASN 12 HA ASN 12 -4.162 7.122 7.122 87 1HB ASN 12 2HB ASN 12 -6.305 7.837 7.837 88 2HB ASN 12 1HB ASN 12 -6.284 6.687 6.687 89 1HD2 ASN 12 2HD2 ASN 12 -6.892 5.236 5.236 90 2HD2 ASN 12 1HD2 ASN 12 -5.766 6.512 6.512 91 H ILE 13 H ILE 13 -2.173 5.543 5.543 92 HA ILE 13 HA ILE 13 -3.320 2.850 2.850 93 HB ILE 13 HB ILE 13 -1.204 2.268 2.268 94 1HG1 ILE 13 2HG1 ILE 13 -0.574 4.121 4.121 95 2HG1 ILE 13 3HG1 ILE 13 -1.417 5.241 5.241 96 1HG2 ILE 13 1HG2 ILE 13 -3.854 3.222 3.222 97 2HG2 ILE 13 2HG2 ILE 13 -2.639 3.353 3.353 98 3HG2 ILE 13 3HG2 ILE 13 -2.944 1.782 1.782 99 1HD1 ILE 13 2HD1 ILE 13 0.362 3.530 3.530 100 2HD1 ILE 13 3HD1 ILE 13 1.253 4.357 4.357 101 3HD1 ILE 13 1HD1 ILE 13 0.324 5.305 5.305 102 H CYS 14 H CYS 14 -1.234 1.272 1.272 103 HA CYS 14 HA CYS 14 0.115 2.515 2.515 104 1HB CYS 14 2HB CYS 14 -1.619 1.157 1.157 105 2HB CYS 14 1HB CYS 14 -1.227 -0.185 -0.185 106 H LYS 15 H LYS 15 2.239 2.666 2.666 107 HA LYS 15 HA LYS 15 3.269 0.566 0.566 108 1HB LYS 15 2HB LYS 15 4.573 3.182 3.182 109 2HB LYS 15 1HB LYS 15 5.072 2.095 2.095 110 1HG LYS 15 2HG LYS 15 3.146 2.590 2.590 111 2HG LYS 15 1HG LYS 15 2.276 3.287 3.287 112 1HD LYS 15 2HD LYS 15 3.113 5.068 5.068 113 2HD LYS 15 1HD LYS 15 3.867 5.191 5.191 114 1HE LYS 15 2HE LYS 15 5.899 5.082 5.082 115 2HE LYS 15 1HE LYS 15 5.541 3.439 3.439 116 1HZ LYS 15 1HZ LYS 15 4.177 5.112 5.112 117 2HZ LYS 15 2HZ LYS 15 5.672 5.744 5.744 118 H TYR 16 H TYR 16 4.793 -0.918 -0.918 119 HA TYR 16 HA TYR 16 6.360 -0.509 -0.509 120 1HB TYR 16 2HB TYR 16 5.284 -2.546 -2.546 121 2HB TYR 16 1HB TYR 16 4.209 -1.165 -1.165 122 HD1 TYR 16 HD1 TYR 16 2.727 -1.108 -1.108 123 HD2 TYR 16 HD2 TYR 16 4.429 -4.618 -4.618 124 HE1 TYR 16 HE1 TYR 16 0.995 -2.548 -2.548 125 HE2 TYR 16 HE2 TYR 16 2.690 -6.046 -6.046 126 HH TYR 16 HH TYR 16 1.023 -6.083 -6.083 127 H LYS 17 H LYS 17 7.902 -2.296 -2.296 128 HA LYS 17 HA LYS 17 8.419 -3.638 -3.638 129 1HB LYS 17 2HB LYS 17 10.032 -2.316 -2.316 130 2HB LYS 17 1HB LYS 17 10.411 -4.013 -4.013 131 1HG LYS 17 2HG LYS 17 10.185 -3.072 -3.072 132 2HG LYS 17 1HG LYS 17 11.551 -2.453 -2.453 133 1HD LYS 17 2HD LYS 17 12.394 -4.664 -4.664 134 2HD LYS 17 1HD LYS 17 10.890 -5.424 -5.424 135 1HE LYS 17 2HE LYS 17 11.264 -4.595 -4.595 136 2HE LYS 17 1HE LYS 17 12.806 -3.932 -3.932 137 1HZ LYS 17 1HZ LYS 17 13.047 -6.166 -6.166 138 2HZ LYS 17 2HZ LYS 17 13.522 -6.178 -6.178 139 H ALA 18 H ALA 18 7.078 -5.417 -5.417 140 HA ALA 18 HA ALA 18 6.093 -6.966 -6.966 141 1HB ALA 18 2HB ALA 18 6.163 -7.042 -7.042 142 2HB ALA 18 3HB ALA 18 7.148 -8.471 -8.471 143 3HB ALA 18 1HB ALA 18 5.485 -8.338 -8.338 144 H GLN 19 H GLN 19 6.730 -9.212 -9.212 145 HA GLN 19 HA GLN 19 9.136 -9.076 -9.076 146 1HB GLN 19 2HB GLN 19 8.578 -11.172 -11.172 147 2HB GLN 19 1HB GLN 19 7.010 -10.552 -10.552 148 1HG GLN 19 2HG GLN 19 7.202 -11.798 -11.798 149 2HG GLN 19 1HG GLN 19 8.744 -12.447 -12.447 150 1HE2 GLN 19 2HE2 GLN 19 5.730 -14.707 -14.707 151 2HE2 GLN 19 1HE2 GLN 19 6.160 -13.723 -13.723 152 H SER 20 H SER 20 8.253 -10.528 -10.528 153 HA SER 20 HA SER 20 11.022 -11.376 -11.376 154 1HB SER 20 2HB SER 20 9.823 -12.447 -12.447 155 2HB SER 20 1HB SER 20 9.887 -13.263 -13.263 156 HG SER 20 HG SER 20 7.769 -12.795 -12.795 157 H GLY 21 H GLY 21 9.043 -8.755 -8.755 158 1HA GLY 21 1HA GLY 21 9.467 -6.891 -6.891 159 2HA GLY 21 2HA GLY 21 10.844 -7.681 -7.681 160 H LYS 22 H LYS 22 8.018 -9.661 -9.661 161 HA LYS 22 HA LYS 22 7.897 -9.391 -9.391 162 1HB LYS 22 2HB LYS 22 7.533 -11.479 -11.479 163 2HB LYS 22 1HB LYS 22 5.885 -10.895 -10.895 164 1HG LYS 22 2HG LYS 22 6.416 -10.686 -10.686 165 2HG LYS 22 1HG LYS 22 7.282 -12.143 -12.143 166 1HD LYS 22 2HD LYS 22 4.891 -12.497 -12.497 167 2HD LYS 22 1HD LYS 22 4.351 -11.628 -11.628 168 1HE LYS 22 2HE LYS 22 6.285 -13.892 -13.892 169 2HE LYS 22 1HE LYS 22 4.651 -14.321 -14.321 170 1HZ LYS 22 1HZ LYS 22 3.786 -13.249 -13.249 171 2HZ LYS 22 2HZ LYS 22 5.159 -12.433 -12.433 172 H THR 23 H THR 23 5.832 -8.434 -8.434 173 HA THR 23 HA THR 23 3.785 -7.346 -7.346 174 HB THR 23 HB THR 23 4.107 -8.097 -8.097 175 HG1 THR 23 1HG THR 23 1.873 -7.201 -7.201 176 1HG2 THR 23 3HG2 THR 23 4.979 -5.482 -5.482 177 2HG2 THR 23 1HG2 THR 23 3.220 -5.246 -5.246 178 3HG2 THR 23 2HG2 THR 23 4.082 -6.246 -6.246 179 H ALA 24 H ALA 24 3.220 -4.844 -4.844 180 HA ALA 24 HA ALA 24 5.067 -2.960 -2.960 181 1HB ALA 24 2HB ALA 24 5.171 -4.038 -4.038 182 2HB ALA 24 3HB ALA 24 5.356 -2.284 -2.284 183 3HB ALA 24 1HB ALA 24 6.482 -3.411 -3.411 184 H ILE 25 H ILE 25 3.718 -1.343 -1.343 185 HA ILE 25 HA ILE 25 1.985 0.022 0.022 186 HB ILE 25 HB ILE 25 1.686 -0.439 -0.439 187 1HG1 ILE 25 2HG1 ILE 25 3.856 0.943 0.943 188 2HG1 ILE 25 3HG1 ILE 25 3.951 -0.018 -0.018 189 1HG2 ILE 25 2HG2 ILE 25 -0.072 0.886 0.886 190 2HG2 ILE 25 3HG2 ILE 25 1.173 2.008 2.008 191 3HG2 ILE 25 1HG2 ILE 25 0.886 1.848 1.848 192 1HD1 ILE 25 3HD1 ILE 25 2.715 2.768 2.768 193 2HD1 ILE 25 1HD1 ILE 25 4.316 2.387 2.387 194 3HD1 ILE 25 2HD1 ILE 25 2.844 1.793 1.793 195 H CYS 26 H CYS 26 -0.248 -0.026 -0.026 196 HA CYS 26 HA CYS 26 -1.850 -2.088 -2.088 197 1HB CYS 26 2HB CYS 26 -0.796 -3.507 -3.507 198 2HB CYS 26 1HB CYS 26 -0.952 -2.323 -2.323 199 H LYS 27 H LYS 27 -3.676 -0.884 -0.884 200 HA LYS 27 HA LYS 27 -4.293 1.549 1.549 201 1HB LYS 27 2HB LYS 27 -6.408 -0.605 -0.605 202 2HB LYS 27 1HB LYS 27 -6.575 1.104 1.104 203 1HG LYS 27 2HG LYS 27 -4.608 0.649 0.649 204 2HG LYS 27 1HG LYS 27 -5.122 -1.020 -1.020 205 1HD LYS 27 2HD LYS 27 -7.109 -0.651 -0.651 206 2HD LYS 27 1HD LYS 27 -7.353 0.920 0.920 207 1HE LYS 27 2HE LYS 27 -5.810 1.986 1.986 208 2HE LYS 27 1HE LYS 27 -5.227 0.442 0.442 209 1HZ LYS 27 1HZ LYS 27 -8.075 0.722 0.722 210 2HZ LYS 27 2HZ LYS 27 -7.264 1.863 1.863 211 H CYS 28 H CYS 28 -5.338 2.611 2.611 212 HA CYS 28 HA CYS 28 -5.150 1.114 1.114 213 1HB CYS 28 2HB CYS 28 -5.190 4.034 4.034 214 2HB CYS 28 1HB CYS 28 -5.605 3.515 3.515 215 H TYR 29 H TYR 29 -6.980 0.652 0.652 216 HA TYR 29 HA TYR 29 -9.544 1.533 1.533 217 1HB TYR 29 2HB TYR 29 -8.795 -0.965 -0.965 218 2HB TYR 29 1HB TYR 29 -8.809 -0.933 -0.933 219 HD1 TYR 29 HD2 TYR 29 -11.207 0.375 0.375 220 HD2 TYR 29 HD1 TYR 29 -10.595 -2.179 -2.179 221 HE1 TYR 29 HE2 TYR 29 -13.675 -0.232 -0.232 222 HE2 TYR 29 HE1 TYR 29 -13.066 -2.777 -2.777 223 HH TYR 29 HH TYR 29 -14.892 -2.836 -2.836 224 H VAL 30 H VAL 30 -10.887 2.700 2.700 225 HA VAL 30 HA VAL 30 -11.785 3.589 3.589 226 HB VAL 30 HB VAL 30 -11.989 2.349 2.349 227 1HG1 VAL 30 3HG1 VAL 30 -11.828 0.817 0.817 228 2HG1 VAL 30 1HG1 VAL 30 -10.484 0.099 0.099 229 3HG1 VAL 30 2HG1 VAL 30 -12.121 0.137 0.137 230 1HG2 VAL 30 3HG2 VAL 30 -9.034 2.334 2.334 231 2HG2 VAL 30 1HG2 VAL 30 -10.157 2.535 2.535 232 3HG2 VAL 30 2HG2 VAL 30 -9.778 0.905 0.905 233 H LYS 31 H LYS 31 -11.311 5.357 5.357 234 HA LYS 31 HA LYS 31 -10.090 7.203 7.203 235 1HB LYS 31 2HB LYS 31 -9.731 5.442 5.442 236 2HB LYS 31 1HB LYS 31 -8.077 5.423 5.423 237 1HG LYS 31 2HG LYS 31 -7.639 7.432 7.432 238 2HG LYS 31 1HG LYS 31 -9.013 8.177 8.177 239 1HD LYS 31 2HD LYS 31 -10.403 6.833 6.833 240 2HD LYS 31 1HD LYS 31 -8.875 6.849 6.849 241 1HE LYS 31 2HE LYS 31 -10.071 9.396 9.396 242 2HE LYS 31 1HE LYS 31 -10.511 8.826 8.826 243 1HZ LYS 31 1HZ LYS 31 -7.655 9.075 9.075 244 2HZ LYS 31 2HZ LYS 31 -8.488 10.422 10.422 245 H LYS 32 H LYS 32 -9.662 7.370 7.370 246 HA LYS 32 HA LYS 32 -7.526 6.416 6.416 247 1HB LYS 32 2HB LYS 32 -8.949 7.683 7.683 248 2HB LYS 32 1HB LYS 32 -9.058 8.979 8.979 249 1HG LYS 32 2HG LYS 32 -6.646 9.576 9.576 250 2HG LYS 32 1HG LYS 32 -6.640 8.349 8.349 251 1HD LYS 32 2HD LYS 32 -7.128 10.742 10.742 252 2HD LYS 32 1HD LYS 32 -8.262 9.518 9.518 253 1HE LYS 32 2HE LYS 32 -9.940 10.210 10.210 254 2HE LYS 32 1HE LYS 32 -8.789 11.051 11.051 255 1HZ LYS 32 1HZ LYS 32 -10.171 12.515 12.515 256 2HZ LYS 32 2HZ LYS 32 -8.568 12.763 12.763 257 H CYS 33 H CYS 33 -5.416 7.522 7.522 258 HA CYS 33 HA CYS 33 -3.843 7.765 7.765 259 1HB CYS 33 2HB CYS 33 -3.219 7.253 7.253 260 2HB CYS 33 1HB CYS 33 -3.117 8.991 8.991 261 HA PRO 34 HA PRO 34 -4.644 11.917 11.917 262 1HB PRO 34 2HB PRO 34 -2.642 12.297 12.297 263 2HB PRO 34 1HB PRO 34 -4.154 11.502 11.502 264 1HG PRO 34 2HG PRO 34 -1.485 10.304 10.304 265 2HG PRO 34 1HG PRO 34 -2.886 9.610 9.610 266 1HD PRO 34 2HD PRO 34 -1.931 9.010 9.010 267 2HD PRO 34 1HD PRO 34 -3.396 8.405 8.405 268 H ARG 35 H ARG 35 -1.342 11.064 11.064 269 HA ARG 35 HA ARG 35 -1.269 13.109 13.109 270 1HB ARG 35 2HB ARG 35 0.672 14.400 14.400 271 2HB ARG 35 1HB ARG 35 -0.933 14.703 14.703 272 1HG ARG 35 2HG ARG 35 -0.332 13.949 13.949 273 2HG ARG 35 1HG ARG 35 0.199 12.418 12.418 274 1HD ARG 35 2HD ARG 35 2.427 13.229 13.229 275 2HD ARG 35 1HD ARG 35 1.940 14.904 14.904 276 HE ARG 35 HE ARG 35 1.304 13.921 13.921 277 1HH1 ARG 35 2HH2 ARG 35 4.245 13.595 13.595 278 2HH1 ARG 35 1HH2 ARG 35 5.289 13.448 13.448 279 HH2 ARG 35 1HH ARG 35 4.347 13.528 13.528 280 H ASP 36 H ASP 36 0.512 12.771 12.771 281 HA ASP 36 HA ASP 36 1.560 10.396 10.396 282 1HB ASP 36 2HB ASP 36 2.182 11.827 11.827 283 2HB ASP 36 1HB ASP 36 2.546 13.148 13.148 284 HD1 ASP 36 2HD ASP 36 4.739 13.291 13.291 285 H GLY 37 H GLY 37 3.245 9.109 9.109 286 1HA GLY 37 1HA GLY 37 5.285 8.844 8.844 287 2HA GLY 37 2HA GLY 37 5.031 10.366 10.366 288 H ALA 38 H ALA 38 2.085 9.677 9.677 289 HA ALA 38 HA ALA 38 2.152 8.887 8.887 290 1HB ALA 38 1HB ALA 38 0.213 9.222 9.222 291 2HB ALA 38 2HB ALA 38 -0.092 7.607 7.607 292 3HB ALA 38 3HB ALA 38 -0.075 9.034 9.034 293 H LYS 39 H LYS 39 2.893 7.149 7.149 294 HA LYS 39 HA LYS 39 3.829 4.876 4.876 295 1HB LYS 39 2HB LYS 39 4.856 5.783 5.783 296 2HB LYS 39 1HB LYS 39 3.432 5.328 5.328 297 1HG LYS 39 2HG LYS 39 4.504 3.100 3.100 298 2HG LYS 39 1HG LYS 39 5.665 3.707 3.707 299 1HD LYS 39 2HD LYS 39 2.920 3.396 3.396 300 2HD LYS 39 1HD LYS 39 3.639 1.891 1.891 301 1HE LYS 39 2HE LYS 39 5.052 1.835 1.835 302 2HE LYS 39 1HE LYS 39 5.614 3.466 3.466 303 1HZ LYS 39 1HZ LYS 39 4.290 4.235 4.235 304 2HZ LYS 39 2HZ LYS 39 2.963 3.485 3.485 305 H CYS 40 H CYS 40 3.066 2.679 2.679 306 HA CYS 40 HA CYS 40 0.425 2.283 2.283 307 1HB CYS 40 2HB CYS 40 -0.167 1.188 1.188 308 2HB CYS 40 1HB CYS 40 -0.516 2.868 2.868 309 H GLU 41 H GLU 41 -0.128 -0.235 -0.235 310 HA GLU 41 HA GLU 41 2.272 -1.772 -1.772 311 1HB GLU 41 2HB GLU 41 1.431 -3.205 -3.205 312 2HB GLU 41 1HB GLU 41 2.306 -1.723 -1.723 313 1HG GLU 41 2HG GLU 41 -0.626 -1.342 -1.342 314 2HG GLU 41 1HG GLU 41 -0.186 -2.366 -2.366 315 HE2 GLU 41 2HE GLU 41 0.492 1.530 1.530 316 H PHE 42 H PHE 42 1.867 -3.981 -3.981 317 HA PHE 42 HA PHE 42 -0.829 -4.268 -4.268 318 1HB PHE 42 2HB PHE 42 1.110 -4.282 -4.282 319 2HB PHE 42 1HB PHE 42 1.928 -5.490 -5.490 320 HD1 PHE 42 1HD PHE 42 1.046 -7.820 -7.820 321 HD2 PHE 42 2HD PHE 42 -0.537 -4.903 -4.903 322 HE1 PHE 42 1HE PHE 42 0.002 -9.638 -9.638 323 HE2 PHE 42 2HE PHE 42 -1.581 -6.721 -6.721 324 HZ PHE 42 HZ PHE 42 -1.299 -9.066 -9.066 325 H ASP 43 H ASP 43 -2.143 -5.453 -5.453 326 HA ASP 43 HA ASP 43 -1.072 -7.292 -7.292 327 1HB ASP 43 2HB ASP 43 -3.500 -5.964 -5.964 328 2HB ASP 43 1HB ASP 43 -3.928 -7.622 -7.622 329 HD2 ASP 43 2HD ASP 43 -3.546 -6.218 -6.218 330 H SER 44 H SER 44 -0.968 -9.595 -9.595 331 HA SER 44 HA SER 44 -1.498 -10.600 -10.600 332 1HB SER 44 2HB SER 44 0.174 -12.213 -12.213 333 2HB SER 44 1HB SER 44 0.801 -10.810 -10.810 334 HG SER 44 HG SER 44 -0.607 -13.043 -13.043 335 H TYR 45 H TYR 45 -2.670 -10.605 -10.605 336 HA TYR 45 HA TYR 45 -3.744 -13.188 -13.188 337 1HB TYR 45 2HB TYR 45 -4.721 -12.237 -12.237 338 2HB TYR 45 1HB TYR 45 -3.403 -11.116 -11.116 339 HD1 TYR 45 HD1 TYR 45 -4.302 -9.334 -9.334 340 HD2 TYR 45 HD2 TYR 45 -6.571 -11.103 -11.103 341 HE1 TYR 45 HE1 TYR 45 -5.965 -7.415 -7.415 342 HE2 TYR 45 HE2 TYR 45 -8.226 -9.177 -9.177 343 HH TYR 45 HH TYR 45 -8.486 -7.075 -7.075 344 H LYS 46 H LYS 46 -4.605 -10.450 -10.450 345 HA LYS 46 HA LYS 46 -6.947 -11.900 -11.900 346 1HB LYS 46 2HB LYS 46 -7.070 -9.100 -9.100 347 2HB LYS 46 1HB LYS 46 -8.296 -9.749 -9.749 348 1HG LYS 46 2HG LYS 46 -8.137 -11.812 -11.812 349 2HG LYS 46 1HG LYS 46 -7.658 -10.495 -10.495 350 1HD LYS 46 2HD LYS 46 -9.718 -9.257 -9.257 351 2HD LYS 46 1HD LYS 46 -10.171 -10.426 -10.426 352 1HE LYS 46 2HE LYS 46 -9.636 -11.651 -11.651 353 2HE LYS 46 1HE LYS 46 -10.961 -10.504 -10.504 354 1HZ LYS 46 1HZ LYS 46 -12.232 -11.993 -11.993 355 2HZ LYS 46 2HZ LYS 46 -11.167 -12.153 -12.153 356 H GLY 47 H GLY 47 -5.343 -8.652 -8.652 357 1HA GLY 47 1HA GLY 47 -3.893 -8.303 -8.303 358 2HA GLY 47 2HA GLY 47 -4.963 -9.306 -9.306 359 H LYS 48 H LYS 48 -5.750 -6.698 -6.698 360 HA LYS 48 HA LYS 48 -7.356 -5.444 -5.444 361 1HB LYS 48 2HB LYS 48 -7.488 -5.604 -5.604 362 2HB LYS 48 1HB LYS 48 -8.019 -4.101 -4.101 363 1HG LYS 48 2HG LYS 48 -10.008 -5.306 -5.306 364 2HG LYS 48 1HG LYS 48 -9.340 -5.718 -5.718 365 1HD LYS 48 2HD LYS 48 -9.870 -7.846 -7.846 366 2HD LYS 48 1HD LYS 48 -8.200 -7.724 -7.724 367 1HE LYS 48 2HE LYS 48 -8.838 -7.974 -7.974 368 2HE LYS 48 1HE LYS 48 -9.800 -6.513 -6.513 369 1HZ LYS 48 1HZ LYS 48 -11.654 -7.759 -7.759 370 2HZ LYS 48 2HZ LYS 48 -11.142 -8.651 -8.651 371 H CYS 49 H CYS 49 -4.276 -5.273 -5.273 372 HA CYS 49 HA CYS 49 -2.675 -3.773 -3.773 373 1HB CYS 49 2HB CYS 49 -3.617 -3.751 -3.751 374 2HB CYS 49 1HB CYS 49 -3.926 -2.075 -2.075 375 H TYR 50 H TYR 50 -3.319 -3.031 -3.031 376 HA TYR 50 HA TYR 50 -5.244 -1.035 -1.035 377 1HB TYR 50 2HB TYR 50 -2.789 -2.187 -2.187 378 2HB TYR 50 1HB TYR 50 -3.606 -0.816 -0.816 379 HD1 TYR 50 HD2 TYR 50 -4.912 -3.897 -3.897 380 HD2 TYR 50 HD1 TYR 50 -4.791 -1.541 -1.541 381 HE1 TYR 50 HE2 TYR 50 -6.581 -5.467 -5.467 382 HE2 TYR 50 HE1 TYR 50 -6.461 -3.118 -3.118 383 HH TYR 50 HH TYR 50 -7.329 -5.209 -5.209 384 H CYS 51 H CYS 51 -5.214 1.087 1.087 385 HA CYS 51 HA CYS 51 -3.001 2.285 2.285 386 1HB CYS 51 2HB CYS 51 -4.313 4.436 4.436 387 2HB CYS 51 1HB CYS 51 -5.015 3.238 3.238 Start of MODEL 15 1 H ALA 1 H ALA 1 3.163 -11.809 -11.809 2 HA ALA 1 HA ALA 1 4.699 -11.206 -11.206 3 1HB ALA 1 2HB ALA 1 2.488 -12.810 -12.810 4 2HB ALA 1 3HB ALA 1 3.418 -11.967 -11.967 5 3HB ALA 1 1HB ALA 1 4.246 -13.059 -13.059 6 H THR 2 H THR 2 2.424 -9.113 -9.113 7 HA THR 2 HA THR 2 1.912 -7.707 -7.707 8 HB THR 2 HB THR 2 2.212 -6.580 -6.580 9 HG1 THR 2 1HG THR 2 -0.166 -7.340 -7.340 10 1HG2 THR 2 2HG2 THR 2 1.260 -5.465 -5.465 11 2HG2 THR 2 3HG2 THR 2 -0.189 -5.891 -5.891 12 3HG2 THR 2 1HG2 THR 2 1.034 -4.800 -4.800 13 H TYR 3 H TYR 3 2.867 -5.923 -5.923 14 HA TYR 3 HA TYR 3 5.736 -5.723 -5.723 15 1HB TYR 3 2HB TYR 3 4.038 -4.762 -4.762 16 2HB TYR 3 1HB TYR 3 5.781 -4.941 -4.941 17 HD1 TYR 3 HD1 TYR 3 5.932 -7.663 -7.663 18 HD2 TYR 3 HD2 TYR 3 3.465 -6.195 -6.195 19 HE1 TYR 3 HE1 TYR 3 5.692 -10.023 -10.023 20 HE2 TYR 3 HE2 TYR 3 3.234 -8.560 -8.560 21 HH TYR 3 HH TYR 3 4.275 -11.294 -11.294 22 H ASN 4 H ASN 4 6.124 -3.260 -3.260 23 HA ASN 4 HA ASN 4 4.448 -1.324 -1.324 24 1HB ASN 4 2HB ASN 4 7.375 -1.672 -1.672 25 2HB ASN 4 1HB ASN 4 6.525 -0.158 -0.158 26 1HD2 ASN 4 2HD2 ASN 4 5.609 -3.520 -3.520 27 2HD2 ASN 4 1HD2 ASN 4 6.457 -3.614 -3.614 28 H GLY 5 H GLY 5 4.661 0.727 0.727 29 1HA GLY 5 1HA GLY 5 6.891 1.292 1.292 30 2HA GLY 5 2HA GLY 5 5.504 0.730 0.730 31 H LYS 6 H LYS 6 4.754 2.601 2.601 32 HA LYS 6 HA LYS 6 3.619 4.570 4.570 33 1HB LYS 6 2HB LYS 6 5.552 5.406 5.406 34 2HB LYS 6 1HB LYS 6 4.670 6.463 6.463 35 1HG LYS 6 2HG LYS 6 5.832 5.197 5.197 36 2HG LYS 6 1HG LYS 6 6.875 4.490 4.490 37 1HD LYS 6 2HD LYS 6 7.615 6.740 6.740 38 2HD LYS 6 1HD LYS 6 6.502 7.497 7.497 39 1HE LYS 6 2HE LYS 6 8.274 5.515 5.515 40 2HE LYS 6 1HE LYS 6 9.160 6.822 6.822 41 1HZ LYS 6 1HZ LYS 6 7.235 8.200 8.200 42 2HZ LYS 6 2HZ LYS 6 7.332 6.943 6.943 43 H CYS 7 H CYS 7 1.865 5.732 5.732 44 HA CYS 7 HA CYS 7 1.098 4.668 4.668 45 1HB CYS 7 2HB CYS 7 -0.321 3.588 3.588 46 2HB CYS 7 1HB CYS 7 -0.572 5.049 5.049 47 H TYR 8 H TYR 8 -0.408 6.212 6.212 48 HA TYR 8 HA TYR 8 0.249 8.985 8.985 49 1HB TYR 8 2HB TYR 8 -0.370 7.587 7.587 50 2HB TYR 8 1HB TYR 8 0.002 9.293 9.293 51 HD1 TYR 8 HD2 TYR 8 2.127 8.264 8.264 52 HD2 TYR 8 HD1 TYR 8 1.547 7.678 7.678 53 HE1 TYR 8 HE2 TYR 8 4.601 7.748 7.748 54 HE2 TYR 8 HE1 TYR 8 4.023 7.164 7.164 55 HH TYR 8 HH TYR 8 6.169 7.885 7.885 56 H LYS 9 H LYS 9 -1.379 10.621 10.621 57 HA LYS 9 HA LYS 9 -4.046 9.532 9.532 58 1HB LYS 9 2HB LYS 9 -4.644 11.787 11.787 59 2HB LYS 9 1HB LYS 9 -3.244 11.219 11.219 60 1HG LYS 9 2HG LYS 9 -2.488 13.335 13.335 61 2HG LYS 9 1HG LYS 9 -1.885 12.409 12.409 62 1HD LYS 9 2HD LYS 9 -2.974 14.066 14.066 63 2HD LYS 9 1HD LYS 9 -4.325 12.966 12.966 64 1HE LYS 9 2HE LYS 9 -5.407 14.325 14.325 65 2HE LYS 9 1HE LYS 9 -3.914 14.868 14.868 66 1HZ LYS 9 1HZ LYS 9 -3.641 16.048 16.048 67 2HZ LYS 9 2HZ LYS 9 -5.266 15.947 15.947 68 H LYS 10 H LYS 10 -2.219 11.779 11.779 69 HA LYS 10 HA LYS 10 -4.352 12.369 12.369 70 1HB LYS 10 2HB LYS 10 -1.702 13.107 13.107 71 2HB LYS 10 1HB LYS 10 -1.712 12.231 12.231 72 1HG LYS 10 2HG LYS 10 -3.322 13.685 13.685 73 2HG LYS 10 1HG LYS 10 -3.876 14.280 14.280 74 1HD LYS 10 2HD LYS 10 -0.990 14.753 14.753 75 2HD LYS 10 1HD LYS 10 -2.212 15.718 15.718 76 1HE LYS 10 2HE LYS 10 -2.104 15.430 15.430 77 2HE LYS 10 1HE LYS 10 -1.230 16.688 16.688 78 1HZ LYS 10 1HZ LYS 10 -3.975 16.534 16.534 79 2HZ LYS 10 2HZ LYS 10 -3.842 16.839 16.839 80 H ASP 11 H ASP 11 -2.127 9.574 9.574 81 HA ASP 11 HA ASP 11 -3.351 8.535 8.535 82 1HB ASP 11 2HB ASP 11 -1.142 7.330 7.330 83 2HB ASP 11 1HB ASP 11 -1.606 6.793 6.793 84 HD1 ASP 11 2HD ASP 11 -0.072 10.430 10.430 85 H ASN 12 H ASN 12 -3.436 8.369 8.369 86 HA ASN 12 HA ASN 12 -4.416 7.083 7.083 87 1HB ASN 12 2HB ASN 12 -6.498 7.804 7.804 88 2HB ASN 12 1HB ASN 12 -6.291 6.744 6.744 89 1HD2 ASN 12 2HD2 ASN 12 -6.834 4.672 4.672 90 2HD2 ASN 12 1HD2 ASN 12 -5.565 5.830 5.830 91 H ILE 13 H ILE 13 -2.231 5.751 5.751 92 HA ILE 13 HA ILE 13 -3.147 2.997 2.997 93 HB ILE 13 HB ILE 13 -1.212 2.695 2.695 94 1HG1 ILE 13 2HG1 ILE 13 -1.350 4.594 4.594 95 2HG1 ILE 13 3HG1 ILE 13 -2.069 5.567 5.567 96 1HG2 ILE 13 1HG2 ILE 13 -4.110 3.257 3.257 97 2HG2 ILE 13 2HG2 ILE 13 -3.143 3.287 3.287 98 3HG2 ILE 13 3HG2 ILE 13 -3.157 1.830 1.830 99 1HD1 ILE 13 1HD1 ILE 13 0.478 4.092 4.092 100 2HD1 ILE 13 2HD1 ILE 13 0.577 5.537 5.537 101 3HD1 ILE 13 3HD1 ILE 13 -0.105 5.662 5.662 102 H CYS 14 H CYS 14 -1.712 1.539 1.539 103 HA CYS 14 HA CYS 14 0.331 2.905 2.905 104 1HB CYS 14 2HB CYS 14 -1.124 1.771 1.771 105 2HB CYS 14 1HB CYS 14 -1.237 0.373 0.373 106 H LYS 15 H LYS 15 2.467 2.640 2.640 107 HA LYS 15 HA LYS 15 3.078 0.366 0.366 108 1HB LYS 15 2HB LYS 15 4.577 2.991 2.991 109 2HB LYS 15 1HB LYS 15 4.694 1.708 1.708 110 1HG LYS 15 2HG LYS 15 2.791 2.373 2.373 111 2HG LYS 15 1HG LYS 15 1.938 2.769 2.769 112 1HD LYS 15 2HD LYS 15 2.271 4.946 4.946 113 2HD LYS 15 1HD LYS 15 3.910 4.714 4.714 114 1HE LYS 15 2HE LYS 15 4.583 5.261 5.261 115 2HE LYS 15 1HE LYS 15 4.040 3.664 3.664 116 1HZ LYS 15 1HZ LYS 15 2.771 6.223 6.223 117 2HZ LYS 15 2HZ LYS 15 2.682 4.852 4.852 118 H TYR 16 H TYR 16 4.615 -1.068 -1.068 119 HA TYR 16 HA TYR 16 6.558 -0.268 -0.268 120 1HB TYR 16 2HB TYR 16 5.721 -2.239 -2.239 121 2HB TYR 16 1HB TYR 16 4.677 -0.831 -0.831 122 HD1 TYR 16 HD1 TYR 16 2.825 -0.890 -0.890 123 HD2 TYR 16 HD2 TYR 16 4.720 -4.315 -4.315 124 HE1 TYR 16 HE1 TYR 16 0.878 -2.348 -2.348 125 HE2 TYR 16 HE2 TYR 16 2.766 -5.762 -5.762 126 HH TYR 16 HH TYR 16 -0.147 -4.371 -4.371 127 H LYS 17 H LYS 17 8.092 -2.120 -2.120 128 HA LYS 17 HA LYS 17 8.446 -3.634 -3.634 129 1HB LYS 17 2HB LYS 17 10.236 -2.163 -2.163 130 2HB LYS 17 1HB LYS 17 10.398 -3.514 -3.514 131 1HG LYS 17 2HG LYS 17 11.707 -4.584 -4.584 132 2HG LYS 17 1HG LYS 17 10.364 -4.637 -4.637 133 1HD LYS 17 2HD LYS 17 10.988 -2.234 -2.234 134 2HD LYS 17 1HD LYS 17 12.448 -2.425 -2.425 135 1HE LYS 17 2HE LYS 17 12.580 -4.721 -4.721 136 2HE LYS 17 1HE LYS 17 11.692 -3.710 -3.710 137 1HZ LYS 17 1HZ LYS 17 13.559 -2.555 -2.555 138 2HZ LYS 17 2HZ LYS 17 13.876 -2.275 -2.275 139 H ALA 18 H ALA 18 7.132 -5.423 -5.423 140 HA ALA 18 HA ALA 18 6.153 -6.814 -6.814 141 1HB ALA 18 2HB ALA 18 5.894 -7.126 -7.126 142 2HB ALA 18 3HB ALA 18 7.290 -8.223 -8.223 143 3HB ALA 18 1HB ALA 18 5.794 -8.579 -8.579 144 H GLN 19 H GLN 19 6.776 -8.934 -8.934 145 HA GLN 19 HA GLN 19 9.251 -8.701 -8.701 146 1HB GLN 19 2HB GLN 19 6.978 -10.109 -10.109 147 2HB GLN 19 1HB GLN 19 7.976 -11.408 -11.408 148 1HG GLN 19 2HG GLN 19 9.818 -10.527 -10.527 149 2HG GLN 19 1HG GLN 19 8.532 -9.609 -9.609 150 1HE2 GLN 19 2HE2 GLN 19 7.535 -12.233 -12.233 151 2HE2 GLN 19 1HE2 GLN 19 7.791 -10.540 -10.540 152 H SER 20 H SER 20 8.383 -9.875 -9.875 153 HA SER 20 HA SER 20 11.049 -11.009 -11.009 154 1HB SER 20 2HB SER 20 9.709 -12.540 -12.540 155 2HB SER 20 1HB SER 20 10.025 -13.047 -13.047 156 HG SER 20 HG SER 20 7.613 -11.763 -11.763 157 H GLY 21 H GLY 21 9.219 -8.479 -8.479 158 1HA GLY 21 1HA GLY 21 9.459 -6.900 -6.900 159 2HA GLY 21 2HA GLY 21 10.570 -7.943 -7.943 160 H LYS 22 H LYS 22 7.896 -9.859 -9.859 161 HA LYS 22 HA LYS 22 7.068 -9.892 -9.892 162 1HB LYS 22 2HB LYS 22 7.033 -11.809 -11.809 163 2HB LYS 22 1HB LYS 22 5.642 -11.064 -11.064 164 1HG LYS 22 2HG LYS 22 4.516 -11.059 -11.059 165 2HG LYS 22 1HG LYS 22 5.850 -12.043 -12.043 166 1HD LYS 22 2HD LYS 22 4.988 -13.284 -13.284 167 2HD LYS 22 1HD LYS 22 3.515 -12.837 -12.837 168 1HE LYS 22 2HE LYS 22 5.819 -14.397 -14.397 169 2HE LYS 22 1HE LYS 22 4.355 -15.125 -15.125 170 1HZ LYS 22 1HZ LYS 22 4.428 -14.555 -14.555 171 2HZ LYS 22 2HZ LYS 22 3.077 -14.128 -14.128 172 H THR 23 H THR 23 5.199 -8.982 -8.982 173 HA THR 23 HA THR 23 3.065 -7.844 -7.844 174 HB THR 23 HB THR 23 3.935 -8.269 -8.269 175 HG1 THR 23 1HG THR 23 1.753 -8.384 -8.384 176 1HG2 THR 23 2HG2 THR 23 4.648 -5.637 -5.637 177 2HG2 THR 23 3HG2 THR 23 2.941 -5.451 -5.451 178 3HG2 THR 23 1HG2 THR 23 4.087 -6.252 -6.252 179 H ALA 24 H ALA 24 2.668 -5.245 -5.245 180 HA ALA 24 HA ALA 24 4.781 -3.513 -3.513 181 1HB ALA 24 3HB ALA 24 4.357 -4.827 -4.827 182 2HB ALA 24 1HB ALA 24 3.045 -3.635 -3.635 183 3HB ALA 24 2HB ALA 24 4.729 -3.087 -3.087 184 H ILE 25 H ILE 25 2.858 -1.816 -1.816 185 HA ILE 25 HA ILE 25 1.690 -0.408 -0.408 186 HB ILE 25 HB ILE 25 0.687 -0.305 -0.305 187 1HG1 ILE 25 2HG1 ILE 25 2.913 -0.356 -0.356 188 2HG1 ILE 25 3HG1 ILE 25 2.686 1.359 1.359 189 1HG2 ILE 25 3HG2 ILE 25 0.651 1.416 1.416 190 2HG2 ILE 25 1HG2 ILE 25 1.144 2.251 2.251 191 3HG2 ILE 25 2HG2 ILE 25 -0.414 1.393 1.393 192 1HD1 ILE 25 1HD1 ILE 25 3.307 0.492 0.492 193 2HD1 ILE 25 2HD1 ILE 25 4.277 -0.614 -0.614 194 3HD1 ILE 25 3HD1 ILE 25 4.489 1.147 1.147 195 H CYS 26 H CYS 26 -0.367 -0.369 -0.369 196 HA CYS 26 HA CYS 26 -2.314 -2.233 -2.233 197 1HB CYS 26 2HB CYS 26 -0.735 -3.169 -3.169 198 2HB CYS 26 1HB CYS 26 -1.932 -2.354 -2.354 199 H LYS 27 H LYS 27 -3.954 -0.770 -0.770 200 HA LYS 27 HA LYS 27 -4.315 1.690 1.690 201 1HB LYS 27 2HB LYS 27 -6.636 -0.234 -0.234 202 2HB LYS 27 1HB LYS 27 -6.634 1.493 1.493 203 1HG LYS 27 2HG LYS 27 -4.575 0.535 0.535 204 2HG LYS 27 1HG LYS 27 -5.809 -0.703 -0.703 205 1HD LYS 27 2HD LYS 27 -7.454 1.374 1.374 206 2HD LYS 27 1HD LYS 27 -5.990 2.225 2.225 207 1HE LYS 27 2HE LYS 27 -5.521 0.491 0.491 208 2HE LYS 27 1HE LYS 27 -6.989 -0.355 -0.355 209 1HZ LYS 27 1HZ LYS 27 -6.808 2.361 2.361 210 2HZ LYS 27 2HZ LYS 27 -7.519 1.052 1.052 211 H CYS 28 H CYS 28 -5.284 2.790 2.790 212 HA CYS 28 HA CYS 28 -5.085 1.287 1.287 213 1HB CYS 28 2HB CYS 28 -4.544 3.936 3.936 214 2HB CYS 28 1HB CYS 28 -5.917 4.039 4.039 215 H TYR 29 H TYR 29 -6.963 -0.070 -0.070 216 HA TYR 29 HA TYR 29 -9.516 0.911 0.911 217 1HB TYR 29 2HB TYR 29 -8.537 -1.504 -1.504 218 2HB TYR 29 1HB TYR 29 -8.652 -1.404 -1.404 219 HD1 TYR 29 HD2 TYR 29 -11.139 -0.110 -0.110 220 HD2 TYR 29 HD1 TYR 29 -10.230 -3.105 -3.105 221 HE1 TYR 29 HE2 TYR 29 -13.536 -0.951 -0.951 222 HE2 TYR 29 HE1 TYR 29 -12.630 -3.936 -3.936 223 HH TYR 29 HH TYR 29 -15.057 -2.184 -2.184 224 H VAL 30 H VAL 30 -10.883 2.187 2.187 225 HA VAL 30 HA VAL 30 -11.956 3.095 3.095 226 HB VAL 30 HB VAL 30 -12.345 1.882 1.882 227 1HG1 VAL 30 2HG1 VAL 30 -11.984 0.324 0.324 228 2HG1 VAL 30 3HG1 VAL 30 -10.749 -0.396 -0.396 229 3HG1 VAL 30 1HG1 VAL 30 -12.448 -0.332 -0.332 230 1HG2 VAL 30 1HG2 VAL 30 -9.400 1.852 1.852 231 2HG2 VAL 30 2HG2 VAL 30 -10.647 2.061 2.061 232 3HG2 VAL 30 3HG2 VAL 30 -10.216 0.428 0.428 233 H LYS 31 H LYS 31 -11.616 4.877 4.877 234 HA LYS 31 HA LYS 31 -10.419 6.729 6.729 235 1HB LYS 31 2HB LYS 31 -10.327 5.057 5.057 236 2HB LYS 31 1HB LYS 31 -8.626 4.921 4.921 237 1HG LYS 31 2HG LYS 31 -8.297 7.333 7.333 238 2HG LYS 31 1HG LYS 31 -10.021 7.600 7.600 239 1HD LYS 31 2HD LYS 31 -8.868 5.626 5.626 240 2HD LYS 31 1HD LYS 31 -8.283 7.266 7.266 241 1HE LYS 31 2HE LYS 31 -10.245 7.933 7.933 242 2HE LYS 31 1HE LYS 31 -11.166 7.312 7.312 243 1HZ LYS 31 1HZ LYS 31 -11.770 6.141 6.141 244 2HZ LYS 31 2HZ LYS 31 -11.024 5.083 5.083 245 H LYS 32 H LYS 32 -9.632 7.198 7.198 246 HA LYS 32 HA LYS 32 -7.428 6.087 6.087 247 1HB LYS 32 2HB LYS 32 -8.098 9.024 9.024 248 2HB LYS 32 1HB LYS 32 -7.422 7.967 7.967 249 1HG LYS 32 2HG LYS 32 -9.530 7.587 7.587 250 2HG LYS 32 1HG LYS 32 -9.837 6.703 6.703 251 1HD LYS 32 2HD LYS 32 -11.500 8.550 8.550 252 2HD LYS 32 1HD LYS 32 -10.672 8.699 8.699 253 1HE LYS 32 2HE LYS 32 -9.452 10.569 10.569 254 2HE LYS 32 1HE LYS 32 -9.392 10.070 10.070 255 1HZ LYS 32 1HZ LYS 32 -10.896 11.952 11.952 256 2HZ LYS 32 2HZ LYS 32 -11.761 10.659 10.659 257 H CYS 33 H CYS 33 -5.345 7.658 7.658 258 HA CYS 33 HA CYS 33 -3.979 7.595 7.595 259 1HB CYS 33 2HB CYS 33 -3.202 7.253 7.253 260 2HB CYS 33 1HB CYS 33 -2.747 8.932 8.932 261 HA PRO 34 HA PRO 34 -4.708 11.767 11.767 262 1HB PRO 34 2HB PRO 34 -2.756 12.152 12.152 263 2HB PRO 34 1HB PRO 34 -4.280 11.361 11.361 264 1HG PRO 34 2HG PRO 34 -1.603 10.156 10.156 265 2HG PRO 34 1HG PRO 34 -3.027 9.468 9.468 266 1HD PRO 34 2HD PRO 34 -2.001 8.855 8.855 267 2HD PRO 34 1HD PRO 34 -3.487 8.256 8.256 268 H ARG 35 H ARG 35 -1.355 10.938 10.938 269 HA ARG 35 HA ARG 35 -1.245 13.001 13.001 270 1HB ARG 35 2HB ARG 35 0.525 14.380 14.380 271 2HB ARG 35 1HB ARG 35 -0.947 14.404 14.404 272 1HG ARG 35 2HG ARG 35 0.577 12.149 12.149 273 2HG ARG 35 1HG ARG 35 1.698 13.489 13.489 274 1HD ARG 35 2HD ARG 35 -0.164 14.874 14.874 275 2HD ARG 35 1HD ARG 35 -0.824 13.308 13.308 276 HE ARG 35 HE ARG 35 1.064 12.883 12.883 277 1HH1 ARG 35 2HH2 ARG 35 1.512 15.883 15.883 278 2HH1 ARG 35 1HH2 ARG 35 2.874 16.398 16.398 279 HH2 ARG 35 1HH ARG 35 3.649 15.017 15.017 280 H ASP 36 H ASP 36 0.456 12.572 12.572 281 HA ASP 36 HA ASP 36 1.479 10.199 10.199 282 1HB ASP 36 2HB ASP 36 2.099 11.636 11.636 283 2HB ASP 36 1HB ASP 36 2.521 12.935 12.935 284 HD1 ASP 36 2HD ASP 36 5.666 11.304 11.304 285 H GLY 37 H GLY 37 3.166 8.886 8.886 286 1HA GLY 37 1HA GLY 37 5.202 8.573 8.573 287 2HA GLY 37 2HA GLY 37 4.993 10.102 10.102 288 H ALA 38 H ALA 38 2.021 9.431 9.431 289 HA ALA 38 HA ALA 38 2.079 8.684 8.684 290 1HB ALA 38 2HB ALA 38 0.147 8.933 8.933 291 2HB ALA 38 3HB ALA 38 -0.158 7.362 7.362 292 3HB ALA 38 1HB ALA 38 -0.141 8.850 8.850 293 H LYS 39 H LYS 39 2.874 6.983 6.983 294 HA LYS 39 HA LYS 39 3.745 4.660 4.660 295 1HB LYS 39 2HB LYS 39 4.974 5.574 5.574 296 2HB LYS 39 1HB LYS 39 3.599 5.327 5.327 297 1HG LYS 39 2HG LYS 39 3.737 2.815 2.815 298 2HG LYS 39 1HG LYS 39 5.328 3.215 3.215 299 1HD LYS 39 2HD LYS 39 4.614 4.029 4.029 300 2HD LYS 39 1HD LYS 39 5.016 2.354 2.354 301 1HE LYS 39 2HE LYS 39 7.238 2.818 2.818 302 2HE LYS 39 1HE LYS 39 6.922 4.194 4.194 303 1HZ LYS 39 1HZ LYS 39 6.710 4.235 4.235 304 2HZ LYS 39 2HZ LYS 39 7.931 4.885 4.885 305 H CYS 40 H CYS 40 2.978 2.481 2.481 306 HA CYS 40 HA CYS 40 0.457 2.110 2.110 307 1HB CYS 40 2HB CYS 40 -0.266 0.984 0.984 308 2HB CYS 40 1HB CYS 40 -0.773 2.570 2.570 309 H GLU 41 H GLU 41 -0.218 -0.397 -0.397 310 HA GLU 41 HA GLU 41 2.213 -1.925 -1.925 311 1HB GLU 41 2HB GLU 41 0.294 -2.590 -2.590 312 2HB GLU 41 1HB GLU 41 1.898 -3.240 -3.240 313 1HG GLU 41 2HG GLU 41 2.194 -1.644 -1.644 314 2HG GLU 41 1HG GLU 41 2.788 -0.837 -0.837 315 HE1 GLU 41 2HE GLU 41 -0.732 0.221 0.221 316 H PHE 42 H PHE 42 1.862 -4.030 -4.030 317 HA PHE 42 HA PHE 42 -0.838 -4.338 -4.338 318 1HB PHE 42 2HB PHE 42 1.109 -4.202 -4.202 319 2HB PHE 42 1HB PHE 42 1.939 -5.468 -5.468 320 HD1 PHE 42 2HD PHE 42 -1.042 -4.795 -4.795 321 HD2 PHE 42 1HD PHE 42 1.589 -7.732 -7.732 322 HE1 PHE 42 2HE PHE 42 -2.069 -6.519 -6.519 323 HE2 PHE 42 1HE PHE 42 0.562 -9.457 -9.457 324 HZ PHE 42 HZ PHE 42 -1.255 -8.830 -8.830 325 H ASP 43 H ASP 43 -2.017 -5.484 -5.484 326 HA ASP 43 HA ASP 43 -0.916 -7.439 -7.439 327 1HB ASP 43 2HB ASP 43 -3.125 -7.822 -7.822 328 2HB ASP 43 1HB ASP 43 -3.189 -6.168 -6.168 329 HD2 ASP 43 2HD ASP 43 -5.398 -8.311 -8.311 330 H SER 44 H SER 44 -0.282 -9.534 -9.534 331 HA SER 44 HA SER 44 -1.024 -10.495 -10.495 332 1HB SER 44 2HB SER 44 0.766 -12.023 -12.023 333 2HB SER 44 1HB SER 44 1.341 -10.595 -10.595 334 HG SER 44 HG SER 44 0.545 -11.628 -11.628 335 H TYR 45 H TYR 45 -2.850 -10.322 -10.322 336 HA TYR 45 HA TYR 45 -3.505 -13.166 -13.166 337 1HB TYR 45 2HB TYR 45 -4.838 -10.857 -10.857 338 2HB TYR 45 1HB TYR 45 -4.468 -12.455 -12.455 339 HD1 TYR 45 HD1 TYR 45 -1.636 -12.811 -12.811 340 HD2 TYR 45 HD2 TYR 45 -3.767 -9.248 -9.248 341 HE1 TYR 45 HE1 TYR 45 0.444 -11.887 -11.887 342 HE2 TYR 45 HE2 TYR 45 -1.679 -8.336 -8.336 343 HH TYR 45 HH TYR 45 1.362 -10.159 -10.159 344 H LYS 46 H LYS 46 -4.632 -10.059 -10.059 345 HA LYS 46 HA LYS 46 -7.066 -11.440 -11.440 346 1HB LYS 46 2HB LYS 46 -6.841 -8.502 -8.502 347 2HB LYS 46 1HB LYS 46 -8.284 -9.352 -9.352 348 1HG LYS 46 2HG LYS 46 -8.020 -10.876 -10.876 349 2HG LYS 46 1HG LYS 46 -6.705 -9.850 -9.850 350 1HD LYS 46 2HD LYS 46 -8.216 -7.896 -7.896 351 2HD LYS 46 1HD LYS 46 -9.535 -8.842 -8.842 352 1HE LYS 46 2HE LYS 46 -10.103 -9.407 -9.407 353 2HE LYS 46 1HE LYS 46 -8.638 -10.364 -10.364 354 1HZ LYS 46 1HZ LYS 46 -9.198 -7.990 -7.990 355 2HZ LYS 46 2HZ LYS 46 -7.853 -8.902 -8.902 356 H GLY 47 H GLY 47 -4.749 -8.724 -8.724 357 1HA GLY 47 1HA GLY 47 -3.565 -8.774 -8.774 358 2HA GLY 47 2HA GLY 47 -5.022 -9.364 -9.364 359 H LYS 48 H LYS 48 -5.223 -6.890 -6.890 360 HA LYS 48 HA LYS 48 -6.376 -5.078 -5.078 361 1HB LYS 48 2HB LYS 48 -6.778 -5.650 -5.650 362 2HB LYS 48 1HB LYS 48 -6.086 -4.041 -4.041 363 1HG LYS 48 2HG LYS 48 -7.830 -3.662 -3.662 364 2HG LYS 48 1HG LYS 48 -8.656 -5.016 -5.016 365 1HD LYS 48 2HD LYS 48 -7.760 -2.592 -2.592 366 2HD LYS 48 1HD LYS 48 -9.315 -2.644 -2.644 367 1HE LYS 48 2HE LYS 48 -9.885 -3.466 -3.466 368 2HE LYS 48 1HE LYS 48 -9.603 -4.961 -4.961 369 1HZ LYS 48 1HZ LYS 48 -8.057 -5.405 -5.405 370 2HZ LYS 48 2HZ LYS 48 -7.129 -4.200 -4.200 371 H CYS 49 H CYS 49 -5.531 -2.644 -2.644 372 HA CYS 49 HA CYS 49 -2.678 -2.582 -2.582 373 1HB CYS 49 2HB CYS 49 -3.957 -0.540 -0.540 374 2HB CYS 49 1HB CYS 49 -2.417 -1.359 -1.359 375 H TYR 50 H TYR 50 -3.442 -2.187 -2.187 376 HA TYR 50 HA TYR 50 -4.960 -0.244 -0.244 377 1HB TYR 50 2HB TYR 50 -2.147 -1.263 -1.263 378 2HB TYR 50 1HB TYR 50 -2.758 0.052 0.052 379 HD1 TYR 50 HD2 TYR 50 -3.442 -3.457 -3.457 380 HD2 TYR 50 HD1 TYR 50 -4.275 -0.353 -0.353 381 HE1 TYR 50 HE2 TYR 50 -4.656 -5.125 -5.125 382 HE2 TYR 50 HE1 TYR 50 -5.486 -2.031 -2.031 383 HH TYR 50 HH TYR 50 -6.029 -4.098 -4.098 384 H CYS 51 H CYS 51 -4.785 2.000 2.000 385 HA CYS 51 HA CYS 51 -2.615 3.450 3.450 386 1HB CYS 51 2HB CYS 51 -4.722 5.084 5.084 387 2HB CYS 51 1HB CYS 51 -3.873 4.044 4.044 Start of MODEL 16 1 H ALA 1 H ALA 1 2.912 -11.593 -11.593 2 HA ALA 1 HA ALA 1 5.180 -11.012 -11.012 3 1HB ALA 1 2HB ALA 1 2.576 -12.385 -12.385 4 2HB ALA 1 3HB ALA 1 3.370 -11.829 -11.829 5 3HB ALA 1 1HB ALA 1 4.227 -12.929 -12.929 6 H THR 2 H THR 2 3.104 -8.744 -8.744 7 HA THR 2 HA THR 2 2.163 -7.439 -7.439 8 HB THR 2 HB THR 2 3.161 -5.691 -5.691 9 HG1 THR 2 1HG THR 2 1.651 -6.948 -6.948 10 1HG2 THR 2 1HG2 THR 2 0.435 -6.558 -6.558 11 2HG2 THR 2 2HG2 THR 2 0.600 -5.511 -5.511 12 3HG2 THR 2 3HG2 THR 2 1.206 -4.961 -4.961 13 H TYR 3 H TYR 3 2.944 -5.368 -5.368 14 HA TYR 3 HA TYR 3 5.875 -5.320 -5.320 15 1HB TYR 3 2HB TYR 3 3.952 -4.889 -4.889 16 2HB TYR 3 1HB TYR 3 5.661 -5.267 -5.267 17 HD1 TYR 3 HD2 TYR 3 2.463 -6.772 -6.772 18 HD2 TYR 3 HD1 TYR 3 6.284 -7.442 -7.442 19 HE1 TYR 3 HE2 TYR 3 1.910 -9.238 -9.238 20 HE2 TYR 3 HE1 TYR 3 5.718 -9.906 -9.906 21 HH TYR 3 HH TYR 3 4.299 -11.480 -11.480 22 H ASN 4 H ASN 4 6.625 -3.324 -3.324 23 HA ASN 4 HA ASN 4 4.812 -1.191 -1.191 24 1HB ASN 4 2HB ASN 4 7.839 -0.874 -0.874 25 2HB ASN 4 1HB ASN 4 6.694 0.046 0.046 26 1HD2 ASN 4 2HD2 ASN 4 6.030 -3.028 -3.028 27 2HD2 ASN 4 1HD2 ASN 4 5.117 -2.115 -2.115 28 H GLY 5 H GLY 5 5.163 0.985 0.985 29 1HA GLY 5 1HA GLY 5 6.736 1.356 1.356 30 2HA GLY 5 2HA GLY 5 5.255 0.618 0.618 31 H LYS 6 H LYS 6 5.023 2.769 2.769 32 HA LYS 6 HA LYS 6 3.701 4.661 4.661 33 1HB LYS 6 2HB LYS 6 5.298 5.535 5.535 34 2HB LYS 6 1HB LYS 6 4.665 6.519 6.519 35 1HG LYS 6 2HG LYS 6 6.235 5.571 5.571 36 2HG LYS 6 1HG LYS 6 6.725 4.321 4.321 37 1HD LYS 6 2HD LYS 6 7.482 6.262 6.262 38 2HD LYS 6 1HD LYS 6 7.299 7.306 7.306 39 1HE LYS 6 2HE LYS 6 9.537 6.711 6.711 40 2HE LYS 6 1HE LYS 6 8.790 5.450 5.450 41 1HZ LYS 6 1HZ LYS 6 9.808 5.224 5.224 42 2HZ LYS 6 2HZ LYS 6 10.232 4.334 4.334 43 H CYS 7 H CYS 7 2.157 6.144 6.144 44 HA CYS 7 HA CYS 7 1.032 4.641 4.641 45 1HB CYS 7 2HB CYS 7 -1.229 5.557 5.557 46 2HB CYS 7 1HB CYS 7 -0.550 4.020 4.020 47 H TYR 8 H TYR 8 -0.454 6.118 6.118 48 HA TYR 8 HA TYR 8 0.488 8.901 8.901 49 1HB TYR 8 2HB TYR 8 -0.085 6.995 6.995 50 2HB TYR 8 1HB TYR 8 0.164 8.713 8.713 51 HD1 TYR 8 HD2 TYR 8 1.890 5.888 5.888 52 HD2 TYR 8 HD1 TYR 8 2.275 9.345 9.345 53 HE1 TYR 8 HE2 TYR 8 4.400 5.510 5.510 54 HE2 TYR 8 HE1 TYR 8 4.784 8.956 8.956 55 HH TYR 8 HH TYR 8 6.217 6.036 6.036 56 H LYS 9 H LYS 9 -1.045 10.521 10.521 57 HA LYS 9 HA LYS 9 -3.784 9.638 9.638 58 1HB LYS 9 2HB LYS 9 -4.253 11.970 11.970 59 2HB LYS 9 1HB LYS 9 -2.951 11.344 11.344 60 1HG LYS 9 2HG LYS 9 -1.270 12.423 12.423 61 2HG LYS 9 1HG LYS 9 -2.535 12.984 12.984 62 1HD LYS 9 2HD LYS 9 -2.810 13.721 13.721 63 2HD LYS 9 1HD LYS 9 -1.525 14.511 14.511 64 1HE LYS 9 2HE LYS 9 -3.567 14.781 14.781 65 2HE LYS 9 1HE LYS 9 -4.493 14.764 14.764 66 1HZ LYS 9 1HZ LYS 9 -3.376 16.974 16.974 67 2HZ LYS 9 2HZ LYS 9 -3.571 16.737 16.737 68 H LYS 10 H LYS 10 -1.730 11.665 11.665 69 HA LYS 10 HA LYS 10 -3.748 12.299 12.299 70 1HB LYS 10 2HB LYS 10 -0.964 12.717 12.717 71 2HB LYS 10 1HB LYS 10 -1.189 11.997 11.997 72 1HG LYS 10 2HG LYS 10 -3.150 14.135 14.135 73 2HG LYS 10 1HG LYS 10 -1.502 14.665 14.665 74 1HD LYS 10 2HD LYS 10 -1.587 14.249 14.249 75 2HD LYS 10 1HD LYS 10 -2.508 12.771 12.771 76 1HE LYS 10 2HE LYS 10 -4.346 14.705 14.705 77 2HE LYS 10 1HE LYS 10 -3.468 15.542 15.542 78 1HZ LYS 10 1HZ LYS 10 -5.460 13.985 13.985 79 2HZ LYS 10 2HZ LYS 10 -4.153 14.008 14.008 80 H ASP 11 H ASP 11 -1.984 9.306 9.306 81 HA ASP 11 HA ASP 11 -3.094 8.248 8.248 82 1HB ASP 11 2HB ASP 11 -0.752 7.520 7.520 83 2HB ASP 11 1HB ASP 11 -1.521 6.231 6.231 84 HD1 ASP 11 2HD ASP 11 -1.756 8.022 8.022 85 H ASN 12 H ASN 12 -3.386 8.373 8.373 86 HA ASN 12 HA ASN 12 -4.495 7.255 7.255 87 1HB ASN 12 2HB ASN 12 -6.480 7.976 7.976 88 2HB ASN 12 1HB ASN 12 -6.248 6.790 6.790 89 1HD2 ASN 12 2HD2 ASN 12 -7.698 5.655 5.655 90 2HD2 ASN 12 1HD2 ASN 12 -6.688 7.048 7.048 91 H ILE 13 H ILE 13 -2.414 5.724 5.724 92 HA ILE 13 HA ILE 13 -3.451 3.025 3.025 93 HB ILE 13 HB ILE 13 -1.418 2.406 2.406 94 1HG1 ILE 13 2HG1 ILE 13 -1.085 4.354 4.354 95 2HG1 ILE 13 3HG1 ILE 13 -1.536 5.380 5.380 96 1HG2 ILE 13 2HG2 ILE 13 -4.098 2.875 2.875 97 2HG2 ILE 13 3HG2 ILE 13 -3.236 3.741 3.741 98 3HG2 ILE 13 1HG2 ILE 13 -2.936 2.006 2.006 99 1HD1 ILE 13 1HD1 ILE 13 0.241 3.872 3.872 100 2HD1 ILE 13 2HD1 ILE 13 0.881 3.614 3.614 101 3HD1 ILE 13 3HD1 ILE 13 0.762 5.263 5.263 102 H CYS 14 H CYS 14 -1.371 1.494 1.494 103 HA CYS 14 HA CYS 14 0.157 2.890 2.890 104 1HB CYS 14 2HB CYS 14 -1.342 1.782 1.782 105 2HB CYS 14 1HB CYS 14 -1.523 0.434 0.434 106 H LYS 15 H LYS 15 2.275 2.807 2.807 107 HA LYS 15 HA LYS 15 3.085 0.488 0.488 108 1HB LYS 15 2HB LYS 15 4.280 3.261 3.261 109 2HB LYS 15 1HB LYS 15 5.021 1.954 1.954 110 1HG LYS 15 2HG LYS 15 3.276 1.898 1.898 111 2HG LYS 15 1HG LYS 15 2.139 2.714 2.714 112 1HD LYS 15 2HD LYS 15 2.882 4.800 4.800 113 2HD LYS 15 1HD LYS 15 4.567 4.321 4.321 114 1HE LYS 15 2HE LYS 15 2.626 3.603 3.603 115 2HE LYS 15 1HE LYS 15 3.749 4.947 4.947 116 1HZ LYS 15 1HZ LYS 15 5.327 3.510 3.510 117 2HZ LYS 15 2HZ LYS 15 5.191 2.651 2.651 118 H TYR 16 H TYR 16 4.255 -1.086 -1.086 119 HA TYR 16 HA TYR 16 6.039 -0.330 -0.330 120 1HB TYR 16 2HB TYR 16 5.034 -2.090 -2.090 121 2HB TYR 16 1HB TYR 16 3.717 -1.081 -1.081 122 HD1 TYR 16 HD1 TYR 16 2.560 -1.893 -1.893 123 HD2 TYR 16 HD2 TYR 16 4.859 -4.402 -4.402 124 HE1 TYR 16 HE1 TYR 16 1.404 -3.948 -3.948 125 HE2 TYR 16 HE2 TYR 16 3.696 -6.448 -6.448 126 HH TYR 16 HH TYR 16 0.930 -6.159 -6.159 127 H LYS 17 H LYS 17 6.328 -3.274 -3.274 128 HA LYS 17 HA LYS 17 7.786 -4.018 -4.018 129 1HB LYS 17 2HB LYS 17 8.669 -3.746 -3.746 130 2HB LYS 17 1HB LYS 17 9.022 -5.331 -5.331 131 1HG LYS 17 2HG LYS 17 9.870 -3.969 -3.969 132 2HG LYS 17 1HG LYS 17 9.949 -2.624 -2.624 133 1HD LYS 17 2HD LYS 17 12.009 -3.405 -3.405 134 2HD LYS 17 1HD LYS 17 11.167 -4.658 -4.658 135 1HE LYS 17 2HE LYS 17 11.256 -5.407 -5.407 136 2HE LYS 17 1HE LYS 17 12.871 -4.965 -4.965 137 1HZ LYS 17 1HZ LYS 17 11.745 -7.366 -7.366 138 2HZ LYS 17 2HZ LYS 17 12.983 -6.768 -6.768 139 H ALA 18 H ALA 18 7.315 -5.978 -5.978 140 HA ALA 18 HA ALA 18 5.125 -7.429 -7.429 141 1HB ALA 18 3HB ALA 18 6.738 -7.457 -7.457 142 2HB ALA 18 1HB ALA 18 5.833 -8.926 -8.926 143 3HB ALA 18 2HB ALA 18 4.975 -7.381 -7.381 144 H GLN 19 H GLN 19 5.302 -9.923 -9.923 145 HA GLN 19 HA GLN 19 6.994 -10.571 -10.571 146 1HB GLN 19 2HB GLN 19 4.940 -11.835 -11.835 147 2HB GLN 19 1HB GLN 19 6.008 -12.566 -12.566 148 1HG GLN 19 2HG GLN 19 5.699 -13.979 -13.979 149 2HG GLN 19 1HG GLN 19 7.376 -13.584 -13.584 150 1HE2 GLN 19 2HE2 GLN 19 7.962 -11.962 -11.962 151 2HE2 GLN 19 1HE2 GLN 19 8.545 -12.650 -12.650 152 H SER 20 H SER 20 7.565 -10.617 -10.617 153 HA SER 20 HA SER 20 10.301 -11.424 -11.424 154 1HB SER 20 2HB SER 20 8.392 -12.711 -12.711 155 2HB SER 20 1HB SER 20 9.656 -12.035 -12.035 156 HG SER 20 HG SER 20 10.167 -14.201 -14.201 157 H GLY 21 H GLY 21 8.850 -8.744 -8.744 158 1HA GLY 21 1HA GLY 21 9.547 -6.707 -6.707 159 2HA GLY 21 2HA GLY 21 10.823 -7.465 -7.465 160 H LYS 22 H LYS 22 8.121 -9.204 -9.204 161 HA LYS 22 HA LYS 22 8.005 -8.222 -8.222 162 1HB LYS 22 2HB LYS 22 6.699 -10.237 -10.237 163 2HB LYS 22 1HB LYS 22 5.504 -9.412 -9.412 164 1HG LYS 22 2HG LYS 22 6.983 -9.756 -9.756 165 2HG LYS 22 1HG LYS 22 8.095 -10.667 -10.667 166 1HD LYS 22 2HD LYS 22 6.856 -12.480 -12.480 167 2HD LYS 22 1HD LYS 22 5.736 -11.948 -11.948 168 1HE LYS 22 2HE LYS 22 5.465 -10.651 -10.651 169 2HE LYS 22 1HE LYS 22 4.994 -12.335 -12.335 170 1HZ LYS 22 1HZ LYS 22 3.640 -10.051 -10.051 171 2HZ LYS 22 2HZ LYS 22 3.075 -11.567 -11.567 172 H THR 23 H THR 23 5.008 -8.103 -8.103 173 HA THR 23 HA THR 23 4.027 -5.851 -5.851 174 HB THR 23 HB THR 23 3.298 -7.689 -7.689 175 HG1 THR 23 1HG THR 23 2.222 -7.022 -7.022 176 1HG2 THR 23 1HG2 THR 23 2.892 -4.713 -4.713 177 2HG2 THR 23 2HG2 THR 23 1.744 -5.938 -5.938 178 3HG2 THR 23 3HG2 THR 23 3.439 -5.970 -5.970 179 H ALA 24 H ALA 24 3.882 -3.650 -3.650 180 HA ALA 24 HA ALA 24 5.545 -2.724 -2.724 181 1HB ALA 24 1HB ALA 24 6.011 -2.252 -2.252 182 2HB ALA 24 2HB ALA 24 6.403 -0.964 -0.964 183 3HB ALA 24 3HB ALA 24 7.188 -2.555 -2.555 184 H ILE 25 H ILE 25 2.582 -2.944 -2.944 185 HA ILE 25 HA ILE 25 1.863 -0.327 -0.327 186 HB ILE 25 HB ILE 25 0.697 -1.081 -1.081 187 1HG1 ILE 25 2HG1 ILE 25 3.290 0.459 0.459 188 2HG1 ILE 25 3HG1 ILE 25 3.165 -1.180 -1.180 189 1HG2 ILE 25 3HG2 ILE 25 0.806 1.281 1.281 190 2HG2 ILE 25 1HG2 ILE 25 0.906 1.609 1.609 191 3HG2 ILE 25 2HG2 ILE 25 -0.483 0.711 0.711 192 1HD1 ILE 25 1HD1 ILE 25 1.490 -0.230 -0.230 193 2HD1 ILE 25 2HD1 ILE 25 2.097 1.371 1.371 194 3HD1 ILE 25 3HD1 ILE 25 3.212 0.171 0.171 195 H CYS 26 H CYS 26 -0.436 -0.214 -0.214 196 HA CYS 26 HA CYS 26 -1.946 -2.639 -2.639 197 1HB CYS 26 2HB CYS 26 -0.443 -3.057 -3.057 198 2HB CYS 26 1HB CYS 26 -1.189 -1.693 -1.693 199 H LYS 27 H LYS 27 -3.652 -1.494 -1.494 200 HA LYS 27 HA LYS 27 -4.405 1.041 1.041 201 1HB LYS 27 2HB LYS 27 -6.442 -1.193 -1.193 202 2HB LYS 27 1HB LYS 27 -6.574 0.413 0.413 203 1HG LYS 27 2HG LYS 27 -4.337 -0.374 -0.374 204 2HG LYS 27 1HG LYS 27 -5.017 -1.961 -1.961 205 1HD LYS 27 2HD LYS 27 -6.706 -1.664 -1.664 206 2HD LYS 27 1HD LYS 27 -7.038 -0.033 -0.033 207 1HE LYS 27 2HE LYS 27 -5.011 0.777 0.777 208 2HE LYS 27 1HE LYS 27 -4.750 -0.853 -0.853 209 1HZ LYS 27 1HZ LYS 27 -6.215 -0.397 -0.397 210 2HZ LYS 27 2HZ LYS 27 -7.414 -0.220 -0.220 211 H CYS 28 H CYS 28 -5.581 2.348 2.348 212 HA CYS 28 HA CYS 28 -5.804 1.206 1.206 213 1HB CYS 28 2HB CYS 28 -5.534 4.024 4.024 214 2HB CYS 28 1HB CYS 28 -6.091 3.697 3.697 215 H TYR 29 H TYR 29 -7.833 0.627 0.627 216 HA TYR 29 HA TYR 29 -10.112 1.828 1.828 217 1HB TYR 29 2HB TYR 29 -11.147 -0.314 -0.314 218 2HB TYR 29 1HB TYR 29 -9.476 -0.756 -0.756 219 HD1 TYR 29 HD1 TYR 29 -7.966 -1.202 -1.202 220 HD2 TYR 29 HD2 TYR 29 -12.215 -0.829 -0.829 221 HE1 TYR 29 HE1 TYR 29 -7.899 -2.382 -2.382 222 HE2 TYR 29 HE2 TYR 29 -12.134 -2.011 -2.011 223 HH TYR 29 HH TYR 29 -9.123 -2.650 -2.650 224 H VAL 30 H VAL 30 -11.725 2.875 2.875 225 HA VAL 30 HA VAL 30 -12.737 3.887 3.887 226 HB VAL 30 HB VAL 30 -11.701 1.418 1.418 227 1HG1 VAL 30 3HG1 VAL 30 -12.632 3.888 3.888 228 2HG1 VAL 30 1HG1 VAL 30 -13.333 2.353 2.353 229 3HG1 VAL 30 2HG1 VAL 30 -11.568 2.583 2.583 230 1HG2 VAL 30 1HG2 VAL 30 -13.764 1.582 1.582 231 2HG2 VAL 30 2HG2 VAL 30 -13.944 0.736 0.736 232 3HG2 VAL 30 3HG2 VAL 30 -14.551 2.399 2.399 233 H LYS 31 H LYS 31 -9.903 2.673 2.673 234 HA LYS 31 HA LYS 31 -9.399 5.275 5.275 235 1HB LYS 31 2HB LYS 31 -8.835 2.719 2.719 236 2HB LYS 31 1HB LYS 31 -7.266 3.246 3.246 237 1HG LYS 31 2HG LYS 31 -7.046 4.868 4.868 238 2HG LYS 31 1HG LYS 31 -8.758 5.241 5.241 239 1HD LYS 31 2HD LYS 31 -7.839 2.545 2.545 240 2HD LYS 31 1HD LYS 31 -7.627 3.955 3.955 241 1HE LYS 31 2HE LYS 31 -9.914 4.261 4.261 242 2HE LYS 31 1HE LYS 31 -10.325 3.642 3.642 243 1HZ LYS 31 1HZ LYS 31 -9.734 2.106 2.106 244 2HZ LYS 31 2HZ LYS 31 -10.982 1.930 1.930 245 H LYS 32 H LYS 32 -9.430 6.129 6.129 246 HA LYS 32 HA LYS 32 -7.437 5.664 5.664 247 1HB LYS 32 2HB LYS 32 -8.668 8.356 8.356 248 2HB LYS 32 1HB LYS 32 -7.877 7.917 7.917 249 1HG LYS 32 2HG LYS 32 -9.699 6.767 6.767 250 2HG LYS 32 1HG LYS 32 -9.997 6.003 6.003 251 1HD LYS 32 2HD LYS 32 -10.713 8.898 8.898 252 2HD LYS 32 1HD LYS 32 -11.846 7.561 7.561 253 1HE LYS 32 2HE LYS 32 -11.929 7.378 7.378 254 2HE LYS 32 1HE LYS 32 -10.271 7.901 7.901 255 1HZ LYS 32 1HZ LYS 32 -12.658 9.505 9.505 256 2HZ LYS 32 2HZ LYS 32 -11.209 9.863 9.863 257 H CYS 33 H CYS 33 -5.511 7.111 7.111 258 HA CYS 33 HA CYS 33 -3.773 7.065 7.065 259 1HB CYS 33 2HB CYS 33 -2.923 6.564 6.564 260 2HB CYS 33 1HB CYS 33 -3.466 8.102 8.102 261 HA PRO 34 HA PRO 34 -4.607 11.127 11.127 262 1HB PRO 34 2HB PRO 34 -2.545 11.431 11.431 263 2HB PRO 34 1HB PRO 34 -4.029 10.588 10.588 264 1HG PRO 34 2HG PRO 34 -1.360 9.463 9.463 265 2HG PRO 34 1HG PRO 34 -2.721 8.699 8.699 266 1HD PRO 34 2HD PRO 34 -1.855 8.275 8.275 267 2HD PRO 34 1HD PRO 34 -3.283 7.601 7.601 268 H ARG 35 H ARG 35 -1.473 10.300 10.300 269 HA ARG 35 HA ARG 35 -1.419 12.360 12.360 270 1HB ARG 35 2HB ARG 35 0.455 13.782 13.782 271 2HB ARG 35 1HB ARG 35 -1.225 14.091 14.091 272 1HG ARG 35 2HG ARG 35 -1.065 12.659 12.659 273 2HG ARG 35 1HG ARG 35 0.579 12.215 12.215 274 1HD ARG 35 2HD ARG 35 1.281 14.003 14.003 275 2HD ARG 35 1HD ARG 35 0.616 15.038 15.038 276 HE ARG 35 HE ARG 35 -0.633 14.389 14.389 277 1HH1 ARG 35 2HH2 ARG 35 -1.054 15.843 15.843 278 2HH1 ARG 35 1HH2 ARG 35 -2.434 16.779 16.779 279 HH2 ARG 35 1HH ARG 35 -3.239 16.635 16.635 280 H ASP 36 H ASP 36 0.452 12.172 12.172 281 HA ASP 36 HA ASP 36 1.717 9.863 9.863 282 1HB ASP 36 2HB ASP 36 3.098 12.533 12.533 283 2HB ASP 36 1HB ASP 36 3.478 11.003 11.003 284 HD1 ASP 36 2HD ASP 36 0.891 13.628 13.628 285 H GLY 37 H GLY 37 3.461 8.808 8.808 286 1HA GLY 37 1HA GLY 37 5.476 8.758 8.758 287 2HA GLY 37 2HA GLY 37 5.182 10.377 10.377 288 H ALA 38 H ALA 38 2.202 9.383 9.383 289 HA ALA 38 HA ALA 38 2.386 9.016 9.016 290 1HB ALA 38 1HB ALA 38 0.277 8.274 8.274 291 2HB ALA 38 2HB ALA 38 0.022 8.070 8.070 292 3HB ALA 38 3HB ALA 38 0.319 9.691 9.691 293 H LYS 39 H LYS 39 3.211 7.392 7.392 294 HA LYS 39 HA LYS 39 4.067 4.991 4.991 295 1HB LYS 39 2HB LYS 39 5.109 6.054 6.054 296 2HB LYS 39 1HB LYS 39 3.680 5.702 5.702 297 1HG LYS 39 2HG LYS 39 4.093 3.206 3.206 298 2HG LYS 39 1HG LYS 39 5.724 3.778 3.778 299 1HD LYS 39 2HD LYS 39 6.220 3.863 3.863 300 2HD LYS 39 1HD LYS 39 4.690 4.614 4.614 301 1HE LYS 39 2HE LYS 39 3.565 2.538 2.538 302 2HE LYS 39 1HE LYS 39 4.727 1.692 1.692 303 1HZ LYS 39 1HZ LYS 39 5.870 1.180 1.180 304 2HZ LYS 39 2HZ LYS 39 6.073 2.747 2.747 305 H CYS 40 H CYS 40 3.273 2.832 2.832 306 HA CYS 40 HA CYS 40 0.714 2.456 2.456 307 1HB CYS 40 2HB CYS 40 -0.274 3.222 3.222 308 2HB CYS 40 1HB CYS 40 0.997 2.604 2.604 309 H GLU 41 H GLU 41 0.131 0.054 0.054 310 HA GLU 41 HA GLU 41 2.479 -1.544 -1.544 311 1HB GLU 41 2HB GLU 41 1.446 -2.886 -2.886 312 2HB GLU 41 1HB GLU 41 2.797 -1.774 -1.774 313 1HG GLU 41 2HG GLU 41 -0.047 -0.734 -0.734 314 2HG GLU 41 1HG GLU 41 0.748 -1.423 -1.423 315 HE1 GLU 41 2HE GLU 41 3.122 -0.586 -0.586 316 H PHE 42 H PHE 42 2.022 -3.393 -3.393 317 HA PHE 42 HA PHE 42 -0.755 -3.811 -3.811 318 1HB PHE 42 2HB PHE 42 0.945 -3.814 -3.814 319 2HB PHE 42 1HB PHE 42 1.979 -4.897 -4.897 320 HD1 PHE 42 2HD PHE 42 -1.651 -5.105 -5.105 321 HD2 PHE 42 1HD PHE 42 2.201 -6.845 -6.845 322 HE1 PHE 42 2HE PHE 42 -2.654 -7.069 -7.069 323 HE2 PHE 42 1HE PHE 42 1.199 -8.810 -8.810 324 HZ PHE 42 HZ PHE 42 -1.217 -8.898 -8.898 325 H ASP 43 H ASP 43 -1.942 -5.724 -5.724 326 HA ASP 43 HA ASP 43 -0.784 -7.363 -7.363 327 1HB ASP 43 2HB ASP 43 -3.080 -6.151 -6.151 328 2HB ASP 43 1HB ASP 43 -3.682 -7.341 -7.341 329 HD1 ASP 43 2HD ASP 43 -3.458 -7.062 -7.062 330 H SER 44 H SER 44 -0.386 -9.574 -9.574 331 HA SER 44 HA SER 44 -1.083 -10.468 -10.468 332 1HB SER 44 2HB SER 44 0.630 -12.382 -12.382 333 2HB SER 44 1HB SER 44 1.149 -10.941 -10.941 334 HG SER 44 HG SER 44 1.386 -11.609 -11.609 335 H TYR 45 H TYR 45 -2.814 -10.381 -10.381 336 HA TYR 45 HA TYR 45 -3.328 -13.265 -13.265 337 1HB TYR 45 2HB TYR 45 -4.592 -11.137 -11.137 338 2HB TYR 45 1HB TYR 45 -3.995 -12.714 -12.714 339 HD1 TYR 45 HD1 TYR 45 -1.183 -12.432 -12.432 340 HD2 TYR 45 HD2 TYR 45 -3.552 -9.815 -9.815 341 HE1 TYR 45 HE1 TYR 45 0.929 -11.351 -11.351 342 HE2 TYR 45 HE2 TYR 45 -1.432 -8.743 -8.743 343 HH TYR 45 HH TYR 45 0.825 -9.174 -9.174 344 H LYS 46 H LYS 46 -4.426 -10.364 -10.364 345 HA LYS 46 HA LYS 46 -6.959 -11.670 -11.670 346 1HB LYS 46 2HB LYS 46 -7.888 -9.167 -9.167 347 2HB LYS 46 1HB LYS 46 -7.958 -10.358 -10.358 348 1HG LYS 46 2HG LYS 46 -5.872 -9.490 -9.490 349 2HG LYS 46 1HG LYS 46 -5.654 -8.384 -8.384 350 1HD LYS 46 2HD LYS 46 -6.699 -6.904 -6.904 351 2HD LYS 46 1HD LYS 46 -8.151 -7.622 -7.622 352 1HE LYS 46 2HE LYS 46 -6.810 -8.813 -8.813 353 2HE LYS 46 1HE LYS 46 -7.932 -7.475 -7.475 354 1HZ LYS 46 1HZ LYS 46 -8.487 -10.219 -10.219 355 2HZ LYS 46 2HZ LYS 46 -9.341 -9.287 -9.287 356 H GLY 47 H GLY 47 -4.699 -8.906 -8.906 357 1HA GLY 47 1HA GLY 47 -3.710 -8.734 -8.734 358 2HA GLY 47 2HA GLY 47 -5.224 -9.263 -9.263 359 H LYS 48 H LYS 48 -5.680 -7.181 -7.181 360 HA LYS 48 HA LYS 48 -6.644 -5.109 -5.109 361 1HB LYS 48 2HB LYS 48 -6.937 -5.845 -5.845 362 2HB LYS 48 1HB LYS 48 -7.077 -4.143 -4.143 363 1HG LYS 48 2HG LYS 48 -9.152 -4.457 -4.457 364 2HG LYS 48 1HG LYS 48 -8.547 -5.650 -5.650 365 1HD LYS 48 2HD LYS 48 -10.109 -6.883 -6.883 366 2HD LYS 48 1HD LYS 48 -8.580 -7.312 -7.312 367 1HE LYS 48 2HE LYS 48 -8.933 -5.770 -5.770 368 2HE LYS 48 1HE LYS 48 -10.291 -5.010 -5.010 369 1HZ LYS 48 1HZ LYS 48 -10.194 -7.694 -7.694 370 2HZ LYS 48 2HZ LYS 48 -11.281 -6.509 -6.509 371 H CYS 49 H CYS 49 -6.150 -2.727 -2.727 372 HA CYS 49 HA CYS 49 -3.246 -2.616 -2.616 373 1HB CYS 49 2HB CYS 49 -3.334 -1.862 -1.862 374 2HB CYS 49 1HB CYS 49 -4.975 -1.265 -1.265 375 H TYR 50 H TYR 50 -3.232 -2.185 -2.185 376 HA TYR 50 HA TYR 50 -5.181 -0.516 -0.516 377 1HB TYR 50 2HB TYR 50 -2.537 -1.890 -1.890 378 2HB TYR 50 1HB TYR 50 -3.105 -0.683 -0.683 379 HD1 TYR 50 HD2 TYR 50 -5.661 -2.578 -2.578 380 HD2 TYR 50 HD1 TYR 50 -3.163 -2.512 -2.512 381 HE1 TYR 50 HE2 TYR 50 -7.146 -4.318 -4.318 382 HE2 TYR 50 HE1 TYR 50 -4.657 -4.252 -4.252 383 HH TYR 50 HH TYR 50 -6.561 -6.183 -6.183 384 H CYS 51 H CYS 51 -4.574 1.155 1.155 385 HA CYS 51 HA CYS 51 -2.270 2.722 2.722 386 1HB CYS 51 2HB CYS 51 -4.735 3.492 3.492 387 2HB CYS 51 1HB CYS 51 -3.139 4.209 4.209 Start of MODEL 17 1 H ALA 1 H ALA 1 4.373 -11.713 -11.713 2 HA ALA 1 HA ALA 1 4.889 -11.247 -11.247 3 1HB ALA 1 1HB ALA 1 3.367 -13.220 -13.220 4 2HB ALA 1 2HB ALA 1 1.997 -12.185 -12.185 5 3HB ALA 1 3HB ALA 1 3.263 -12.580 -12.580 6 H THR 2 H THR 2 4.019 -8.728 -8.728 7 HA THR 2 HA THR 2 2.273 -7.610 -7.610 8 HB THR 2 HB THR 2 3.176 -6.030 -6.030 9 HG1 THR 2 1HG THR 2 1.275 -8.265 -8.265 10 1HG2 THR 2 3HG2 THR 2 1.162 -5.708 -5.708 11 2HG2 THR 2 1HG2 THR 2 0.301 -6.627 -6.627 12 3HG2 THR 2 2HG2 THR 2 1.072 -5.074 -5.074 13 H TYR 3 H TYR 3 2.883 -5.947 -5.947 14 HA TYR 3 HA TYR 3 5.776 -5.408 -5.408 15 1HB TYR 3 2HB TYR 3 3.768 -5.105 -5.105 16 2HB TYR 3 1HB TYR 3 5.505 -5.293 -5.293 17 HD1 TYR 3 HD2 TYR 3 2.329 -7.064 -7.064 18 HD2 TYR 3 HD1 TYR 3 6.539 -7.478 -7.478 19 HE1 TYR 3 HE2 TYR 3 2.040 -9.568 -9.568 20 HE2 TYR 3 HE1 TYR 3 6.236 -9.980 -9.980 21 HH TYR 3 HH TYR 3 3.300 -11.376 -11.376 22 H ASN 4 H ASN 4 6.372 -3.361 -3.361 23 HA ASN 4 HA ASN 4 4.307 -1.382 -1.382 24 1HB ASN 4 2HB ASN 4 7.222 -0.745 -0.745 25 2HB ASN 4 1HB ASN 4 5.810 -0.153 -0.153 26 1HD2 ASN 4 2HD2 ASN 4 5.475 -2.885 -2.885 27 2HD2 ASN 4 1HD2 ASN 4 4.653 -1.599 -1.599 28 H GLY 5 H GLY 5 4.788 0.875 0.875 29 1HA GLY 5 1HA GLY 5 6.760 1.239 1.239 30 2HA GLY 5 2HA GLY 5 5.270 0.722 0.722 31 H LYS 6 H LYS 6 4.700 2.679 2.679 32 HA LYS 6 HA LYS 6 3.743 4.710 4.710 33 1HB LYS 6 2HB LYS 6 5.452 5.509 5.509 34 2HB LYS 6 1HB LYS 6 4.862 6.519 6.519 35 1HG LYS 6 2HG LYS 6 6.265 5.264 5.264 36 2HG LYS 6 1HG LYS 6 6.826 4.204 4.204 37 1HD LYS 6 2HD LYS 6 7.548 6.478 6.478 38 2HD LYS 6 1HD LYS 6 7.453 7.133 7.133 39 1HE LYS 6 2HE LYS 6 9.602 6.384 6.384 40 2HE LYS 6 1HE LYS 6 8.874 4.810 4.810 41 1HZ LYS 6 1HZ LYS 6 9.796 5.880 5.880 42 2HZ LYS 6 2HZ LYS 6 10.523 4.700 4.700 43 H CYS 7 H CYS 7 2.148 6.166 6.166 44 HA CYS 7 HA CYS 7 1.079 5.015 5.015 45 1HB CYS 7 2HB CYS 7 -1.215 5.677 5.677 46 2HB CYS 7 1HB CYS 7 -0.478 4.117 4.117 47 H TYR 8 H TYR 8 -0.637 6.690 6.690 48 HA TYR 8 HA TYR 8 0.121 9.429 9.429 49 1HB TYR 8 2HB TYR 8 -0.002 8.207 8.207 50 2HB TYR 8 1HB TYR 8 0.517 9.835 9.835 51 HD1 TYR 8 HD2 TYR 8 1.419 6.279 6.279 52 HD2 TYR 8 HD1 TYR 8 2.798 10.271 10.271 53 HE1 TYR 8 HE2 TYR 8 3.828 5.481 5.481 54 HE2 TYR 8 HE1 TYR 8 5.202 9.459 9.459 55 HH TYR 8 HH TYR 8 5.930 6.152 6.152 56 H LYS 9 H LYS 9 -1.459 11.019 11.019 57 HA LYS 9 HA LYS 9 -4.106 9.941 9.941 58 1HB LYS 9 2HB LYS 9 -2.823 12.586 12.586 59 2HB LYS 9 1HB LYS 9 -4.428 12.623 12.623 60 1HG LYS 9 2HG LYS 9 -5.354 11.341 11.341 61 2HG LYS 9 1HG LYS 9 -3.757 11.022 11.022 62 1HD LYS 9 2HD LYS 9 -3.469 13.231 13.231 63 2HD LYS 9 1HD LYS 9 -4.606 13.897 13.897 64 1HE LYS 9 2HE LYS 9 -6.477 12.701 12.701 65 2HE LYS 9 1HE LYS 9 -5.306 12.199 12.199 66 1HZ LYS 9 1HZ LYS 9 -6.163 14.962 14.962 67 2HZ LYS 9 2HZ LYS 9 -6.224 14.195 14.195 68 H LYS 10 H LYS 10 -2.386 12.290 12.290 69 HA LYS 10 HA LYS 10 -4.128 12.389 12.389 70 1HB LYS 10 2HB LYS 10 -1.657 13.323 13.323 71 2HB LYS 10 1HB LYS 10 -1.254 12.024 12.024 72 1HG LYS 10 2HG LYS 10 -1.689 13.923 13.923 73 2HG LYS 10 1HG LYS 10 -3.106 12.903 12.903 74 1HD LYS 10 2HD LYS 10 -4.246 14.837 14.837 75 2HD LYS 10 1HD LYS 10 -3.882 14.419 14.419 76 1HE LYS 10 2HE LYS 10 -1.925 16.064 16.064 77 2HE LYS 10 1HE LYS 10 -3.284 16.830 16.830 78 1HZ LYS 10 1HZ LYS 10 -2.060 16.794 16.794 79 2HZ LYS 10 2HZ LYS 10 -2.103 15.167 15.167 80 H ASP 11 H ASP 11 -1.624 9.798 9.798 81 HA ASP 11 HA ASP 11 -2.702 8.363 8.363 82 1HB ASP 11 2HB ASP 11 -0.702 7.567 7.567 83 2HB ASP 11 1HB ASP 11 -1.062 6.589 6.589 84 HD2 ASP 11 2HD ASP 11 1.619 7.680 7.680 85 H ASN 12 H ASN 12 -3.138 8.582 8.582 86 HA ASN 12 HA ASN 12 -4.304 7.475 7.475 87 1HB ASN 12 2HB ASN 12 -6.020 8.089 8.089 88 2HB ASN 12 1HB ASN 12 -6.204 6.347 6.347 89 1HD2 ASN 12 2HD2 ASN 12 -8.087 6.114 6.114 90 2HD2 ASN 12 1HD2 ASN 12 -7.289 5.333 5.333 91 H ILE 13 H ILE 13 -2.109 5.971 5.971 92 HA ILE 13 HA ILE 13 -3.207 3.255 3.255 93 HB ILE 13 HB ILE 13 -1.094 2.680 2.680 94 1HG1 ILE 13 2HG1 ILE 13 -0.595 4.707 4.707 95 2HG1 ILE 13 3HG1 ILE 13 -1.128 5.673 5.673 96 1HG2 ILE 13 3HG2 ILE 13 -3.709 3.654 3.654 97 2HG2 ILE 13 1HG2 ILE 13 -2.474 3.868 3.868 98 3HG2 ILE 13 2HG2 ILE 13 -2.769 2.255 2.255 99 1HD1 ILE 13 2HD1 ILE 13 0.513 4.332 4.332 100 2HD1 ILE 13 3HD1 ILE 13 1.165 3.671 3.671 101 3HD1 ILE 13 1HD1 ILE 13 1.248 5.421 5.421 102 H CYS 14 H CYS 14 -1.035 1.745 1.745 103 HA CYS 14 HA CYS 14 0.347 3.031 3.031 104 1HB CYS 14 2HB CYS 14 -1.562 1.874 1.874 105 2HB CYS 14 1HB CYS 14 -1.109 0.385 0.385 106 H LYS 15 H LYS 15 2.459 2.923 2.923 107 HA LYS 15 HA LYS 15 3.252 0.569 0.569 108 1HB LYS 15 2HB LYS 15 4.844 3.101 3.101 109 2HB LYS 15 1HB LYS 15 5.102 1.868 1.868 110 1HG LYS 15 2HG LYS 15 3.141 2.490 2.490 111 2HG LYS 15 1HG LYS 15 2.468 3.378 3.378 112 1HD LYS 15 2HD LYS 15 3.326 5.230 5.230 113 2HD LYS 15 1HD LYS 15 4.865 4.709 4.709 114 1HE LYS 15 2HE LYS 15 5.205 3.325 3.325 115 2HE LYS 15 1HE LYS 15 3.765 4.084 4.084 116 1HZ LYS 15 1HZ LYS 15 5.715 5.940 5.940 117 2HZ LYS 15 2HZ LYS 15 6.224 5.128 5.128 118 H TYR 16 H TYR 16 4.832 -0.873 -0.873 119 HA TYR 16 HA TYR 16 6.436 -0.340 -0.340 120 1HB TYR 16 2HB TYR 16 5.294 -2.142 -2.142 121 2HB TYR 16 1HB TYR 16 4.240 -0.771 -0.771 122 HD1 TYR 16 HD1 TYR 16 2.734 -0.994 -0.994 123 HD2 TYR 16 HD2 TYR 16 4.427 -4.271 -4.271 124 HE1 TYR 16 HE1 TYR 16 0.978 -2.554 -2.554 125 HE2 TYR 16 HE2 TYR 16 2.665 -5.820 -5.820 126 HH TYR 16 HH TYR 16 0.486 -4.712 -4.712 127 H LYS 17 H LYS 17 7.550 -2.513 -2.513 128 HA LYS 17 HA LYS 17 8.168 -3.927 -3.927 129 1HB LYS 17 2HB LYS 17 9.705 -3.057 -3.057 130 2HB LYS 17 1HB LYS 17 10.069 -4.687 -4.687 131 1HG LYS 17 2HG LYS 17 10.167 -3.626 -3.626 132 2HG LYS 17 1HG LYS 17 10.309 -2.099 -2.099 133 1HD LYS 17 2HD LYS 17 12.430 -2.574 -2.574 134 2HD LYS 17 1HD LYS 17 12.104 -4.287 -4.287 135 1HE LYS 17 2HE LYS 17 12.705 -4.769 -4.769 136 2HE LYS 17 1HE LYS 17 12.138 -3.228 -3.228 137 1HZ LYS 17 1HZ LYS 17 14.354 -2.778 -2.778 138 2HZ LYS 17 2HZ LYS 17 14.181 -2.444 -2.444 139 H ALA 18 H ALA 18 7.355 -5.921 -5.921 140 HA ALA 18 HA ALA 18 5.891 -7.194 -7.194 141 1HB ALA 18 1HB ALA 18 5.625 -7.117 -7.117 142 2HB ALA 18 2HB ALA 18 6.592 -8.605 -8.605 143 3HB ALA 18 3HB ALA 18 5.031 -8.484 -8.484 144 H GLN 19 H GLN 19 6.289 -9.660 -9.660 145 HA GLN 19 HA GLN 19 8.541 -9.980 -9.980 146 1HB GLN 19 2HB GLN 19 6.371 -11.582 -11.582 147 2HB GLN 19 1HB GLN 19 7.749 -12.489 -12.489 148 1HG GLN 19 2HG GLN 19 8.821 -12.170 -12.170 149 2HG GLN 19 1HG GLN 19 7.291 -11.508 -11.508 150 1HE2 GLN 19 2HE2 GLN 19 7.828 -15.529 -15.529 151 2HE2 GLN 19 1HE2 GLN 19 8.988 -14.331 -14.331 152 H SER 20 H SER 20 8.044 -10.932 -10.932 153 HA SER 20 HA SER 20 10.952 -11.078 -11.078 154 1HB SER 20 2HB SER 20 8.932 -13.000 -13.000 155 2HB SER 20 1HB SER 20 9.695 -12.442 -12.442 156 HG SER 20 HG SER 20 10.750 -14.311 -14.311 157 H GLY 21 H GLY 21 8.872 -8.809 -8.809 158 1HA GLY 21 1HA GLY 21 8.740 -6.979 -6.979 159 2HA GLY 21 2HA GLY 21 10.074 -7.592 -7.592 160 H LYS 22 H LYS 22 7.670 -10.006 -10.006 161 HA LYS 22 HA LYS 22 7.088 -9.912 -9.912 162 1HB LYS 22 2HB LYS 22 6.178 -11.459 -11.459 163 2HB LYS 22 1HB LYS 22 5.086 -11.437 -11.437 164 1HG LYS 22 2HG LYS 22 7.878 -11.833 -11.833 165 2HG LYS 22 1HG LYS 22 7.373 -13.060 -13.060 166 1HD LYS 22 2HD LYS 22 6.740 -13.958 -13.958 167 2HD LYS 22 1HD LYS 22 5.241 -13.328 -13.328 168 1HE LYS 22 2HE LYS 22 6.951 -11.509 -11.509 169 2HE LYS 22 1HE LYS 22 5.998 -12.751 -12.751 170 1HZ LYS 22 1HZ LYS 22 5.088 -10.347 -10.347 171 2HZ LYS 22 2HZ LYS 22 4.350 -11.227 -11.227 172 H THR 23 H THR 23 5.946 -7.991 -7.991 173 HA THR 23 HA THR 23 3.592 -7.203 -7.203 174 HB THR 23 HB THR 23 3.850 -8.034 -8.034 175 HG1 THR 23 1HG THR 23 1.959 -8.057 -8.057 176 1HG2 THR 23 1HG2 THR 23 4.592 -5.450 -5.450 177 2HG2 THR 23 2HG2 THR 23 2.842 -5.184 -5.184 178 3HG2 THR 23 3HG2 THR 23 3.447 -6.166 -6.166 179 H ALA 24 H ALA 24 3.010 -4.747 -4.747 180 HA ALA 24 HA ALA 24 4.861 -2.908 -2.908 181 1HB ALA 24 1HB ALA 24 5.391 -4.070 -4.070 182 2HB ALA 24 2HB ALA 24 5.254 -2.296 -2.296 183 3HB ALA 24 3HB ALA 24 6.443 -3.089 -3.089 184 H ILE 25 H ILE 25 3.559 -1.201 -1.201 185 HA ILE 25 HA ILE 25 1.874 0.219 0.219 186 HB ILE 25 HB ILE 25 1.639 -0.288 -0.288 187 1HG1 ILE 25 2HG1 ILE 25 3.532 1.752 1.752 188 2HG1 ILE 25 3HG1 ILE 25 4.043 0.474 0.474 189 1HG2 ILE 25 1HG2 ILE 25 0.729 1.728 1.728 190 2HG2 ILE 25 2HG2 ILE 25 1.659 2.440 2.440 191 3HG2 ILE 25 3HG2 ILE 25 0.237 1.426 1.426 192 1HD1 ILE 25 2HD1 ILE 25 3.415 -1.028 -1.028 193 2HD1 ILE 25 3HD1 ILE 25 3.904 0.491 0.491 194 3HD1 ILE 25 1HD1 ILE 25 5.036 -0.355 -0.355 195 H CYS 26 H CYS 26 -0.284 0.116 0.116 196 HA CYS 26 HA CYS 26 -1.920 -1.881 -1.881 197 1HB CYS 26 2HB CYS 26 -1.117 -3.355 -3.355 198 2HB CYS 26 1HB CYS 26 -1.017 -2.126 -2.126 199 H LYS 27 H LYS 27 -3.548 -0.471 -0.471 200 HA LYS 27 HA LYS 27 -4.150 1.943 1.943 201 1HB LYS 27 2HB LYS 27 -6.345 -0.052 -0.052 202 2HB LYS 27 1HB LYS 27 -6.337 1.673 1.673 203 1HG LYS 27 2HG LYS 27 -4.167 1.069 1.069 204 2HG LYS 27 1HG LYS 27 -4.888 -0.528 -0.528 205 1HD LYS 27 2HD LYS 27 -6.216 0.172 0.172 206 2HD LYS 27 1HD LYS 27 -7.052 1.195 1.195 207 1HE LYS 27 2HE LYS 27 -5.703 3.104 3.104 208 2HE LYS 27 1HE LYS 27 -4.472 2.129 2.129 209 1HZ LYS 27 1HZ LYS 27 -6.441 3.371 3.371 210 2HZ LYS 27 2HZ LYS 27 -5.666 2.062 2.062 211 H CYS 28 H CYS 28 -5.195 2.977 2.977 212 HA CYS 28 HA CYS 28 -5.396 1.375 1.375 213 1HB CYS 28 2HB CYS 28 -5.293 4.293 4.293 214 2HB CYS 28 1HB CYS 28 -6.054 3.798 3.798 215 H TYR 29 H TYR 29 -7.310 0.314 0.314 216 HA TYR 29 HA TYR 29 -9.668 0.814 0.814 217 1HB TYR 29 2HB TYR 29 -10.470 -0.900 -0.900 218 2HB TYR 29 1HB TYR 29 -8.743 -1.196 -1.196 219 HD1 TYR 29 HD1 TYR 29 -7.431 0.399 0.399 220 HD2 TYR 29 HD2 TYR 29 -11.445 -1.052 -1.052 221 HE1 TYR 29 HE1 TYR 29 -7.340 0.631 0.631 222 HE2 TYR 29 HE2 TYR 29 -11.341 -0.815 -0.815 223 HH TYR 29 HH TYR 29 -9.562 -0.815 -0.815 224 H VAL 30 H VAL 30 -11.446 0.672 0.672 225 HA VAL 30 HA VAL 30 -12.485 3.112 3.112 226 HB VAL 30 HB VAL 30 -12.135 1.093 1.093 227 1HG1 VAL 30 2HG1 VAL 30 -13.039 3.843 3.843 228 2HG1 VAL 30 3HG1 VAL 30 -14.333 2.694 2.694 229 3HG1 VAL 30 1HG1 VAL 30 -12.765 2.611 2.611 230 1HG2 VAL 30 3HG2 VAL 30 -14.426 1.848 1.848 231 2HG2 VAL 30 1HG2 VAL 30 -13.504 0.326 0.326 232 3HG2 VAL 30 2HG2 VAL 30 -14.581 0.735 0.735 233 H LYS 31 H LYS 31 -10.018 2.063 2.063 234 HA LYS 31 HA LYS 31 -9.629 4.572 4.572 235 1HB LYS 31 2HB LYS 31 -8.813 2.145 2.145 236 2HB LYS 31 1HB LYS 31 -7.359 2.621 2.621 237 1HG LYS 31 2HG LYS 31 -6.703 3.764 3.764 238 2HG LYS 31 1HG LYS 31 -8.036 4.873 4.873 239 1HD LYS 31 2HD LYS 31 -9.523 3.525 3.525 240 2HD LYS 31 1HD LYS 31 -8.346 2.230 2.230 241 1HE LYS 31 2HE LYS 31 -7.322 3.213 3.213 242 2HE LYS 31 1HE LYS 31 -7.090 4.699 4.699 243 1HZ LYS 31 1HZ LYS 31 -9.039 4.141 4.141 244 2HZ LYS 31 2HZ LYS 31 -8.643 5.580 5.580 245 H LYS 32 H LYS 32 -9.576 6.206 6.206 246 HA LYS 32 HA LYS 32 -7.878 6.085 6.085 247 1HB LYS 32 2HB LYS 32 -9.966 7.530 7.530 248 2HB LYS 32 1HB LYS 32 -8.906 8.615 8.615 249 1HG LYS 32 2HG LYS 32 -7.389 8.634 8.634 250 2HG LYS 32 1HG LYS 32 -8.667 7.783 7.783 251 1HD LYS 32 2HD LYS 32 -9.092 10.447 10.447 252 2HD LYS 32 1HD LYS 32 -8.689 10.323 10.323 253 1HE LYS 32 2HE LYS 32 -10.745 9.129 9.129 254 2HE LYS 32 1HE LYS 32 -11.091 8.879 8.879 255 1HZ LYS 32 1HZ LYS 32 -11.300 11.379 11.379 256 2HZ LYS 32 2HZ LYS 32 -12.387 10.722 10.722 257 H CYS 33 H CYS 33 -5.935 7.394 7.394 258 HA CYS 33 HA CYS 33 -4.077 7.073 7.073 259 1HB CYS 33 2HB CYS 33 -3.478 6.848 6.848 260 2HB CYS 33 1HB CYS 33 -3.844 8.538 8.538 261 HA PRO 34 HA PRO 34 -4.718 10.958 10.958 262 1HB PRO 34 2HB PRO 34 -2.555 11.000 11.000 263 2HB PRO 34 1HB PRO 34 -4.041 10.151 10.151 264 1HG PRO 34 2HG PRO 34 -1.443 9.043 9.043 265 2HG PRO 34 1HG PRO 34 -2.781 8.221 8.221 266 1HD PRO 34 2HD PRO 34 -2.076 8.103 8.103 267 2HD PRO 34 1HD PRO 34 -3.479 7.376 7.376 268 H ARG 35 H ARG 35 -1.592 10.234 10.234 269 HA ARG 35 HA ARG 35 -1.605 12.508 12.508 270 1HB ARG 35 2HB ARG 35 0.341 13.739 13.739 271 2HB ARG 35 1HB ARG 35 -1.262 13.932 13.932 272 1HG ARG 35 2HG ARG 35 -0.592 11.794 11.794 273 2HG ARG 35 1HG ARG 35 1.045 12.268 12.268 274 1HD ARG 35 2HD ARG 35 -0.152 14.694 14.694 275 2HD ARG 35 1HD ARG 35 -0.855 13.533 13.533 276 HE ARG 35 HE ARG 35 1.290 13.110 13.110 277 1HH1 ARG 35 2HH2 ARG 35 1.549 15.245 15.245 278 2HH1 ARG 35 1HH2 ARG 35 3.188 15.693 15.693 279 HH2 ARG 35 1HH ARG 35 4.288 14.773 14.773 280 H ASP 36 H ASP 36 0.577 12.813 12.813 281 HA ASP 36 HA ASP 36 1.590 10.409 10.409 282 1HB ASP 36 2HB ASP 36 2.145 12.081 12.081 283 2HB ASP 36 1HB ASP 36 2.402 13.271 13.271 284 HD1 ASP 36 2HD ASP 36 5.268 11.600 11.600 285 H GLY 37 H GLY 37 3.349 9.110 9.110 286 1HA GLY 37 1HA GLY 37 5.299 8.652 8.652 287 2HA GLY 37 2HA GLY 37 5.178 10.174 10.174 288 H ALA 38 H ALA 38 2.168 9.541 9.541 289 HA ALA 38 HA ALA 38 2.255 8.798 8.798 290 1HB ALA 38 3HB ALA 38 0.224 8.291 8.291 291 2HB ALA 38 1HB ALA 38 -0.084 7.767 7.767 292 3HB ALA 38 2HB ALA 38 0.183 9.490 9.490 293 H LYS 39 H LYS 39 3.059 7.093 7.093 294 HA LYS 39 HA LYS 39 3.917 4.773 4.773 295 1HB LYS 39 2HB LYS 39 5.084 5.706 5.706 296 2HB LYS 39 1HB LYS 39 3.698 5.359 5.359 297 1HG LYS 39 2HG LYS 39 4.596 3.008 3.008 298 2HG LYS 39 1HG LYS 39 5.836 3.626 3.626 299 1HD LYS 39 2HD LYS 39 3.470 3.685 3.685 300 2HD LYS 39 1HD LYS 39 3.367 2.182 2.182 301 1HE LYS 39 2HE LYS 39 4.606 1.496 1.496 302 2HE LYS 39 1HE LYS 39 5.894 1.868 1.868 303 1HZ LYS 39 1HZ LYS 39 5.434 4.264 4.264 304 2HZ LYS 39 2HZ LYS 39 5.191 3.237 3.237 305 H CYS 40 H CYS 40 3.133 2.601 2.601 306 HA CYS 40 HA CYS 40 0.610 2.198 2.198 307 1HB CYS 40 2HB CYS 40 -0.267 3.110 3.110 308 2HB CYS 40 1HB CYS 40 0.833 2.180 2.180 309 H GLU 41 H GLU 41 0.011 -0.207 -0.207 310 HA GLU 41 HA GLU 41 2.354 -1.792 -1.792 311 1HB GLU 41 2HB GLU 41 1.407 -3.200 -3.200 312 2HB GLU 41 1HB GLU 41 2.680 -2.002 -2.002 313 1HG GLU 41 2HG GLU 41 -0.267 -1.277 -1.277 314 2HG GLU 41 1HG GLU 41 0.713 -1.775 -1.775 315 HE1 GLU 41 2HE GLU 41 2.597 0.677 0.677 316 H PHE 42 H PHE 42 1.901 -3.719 -3.719 317 HA PHE 42 HA PHE 42 -0.916 -4.123 -4.123 318 1HB PHE 42 2HB PHE 42 0.820 -3.894 -3.894 319 2HB PHE 42 1HB PHE 42 1.746 -5.203 -5.203 320 HD1 PHE 42 2HD PHE 42 -1.894 -4.863 -4.863 321 HD2 PHE 42 1HD PHE 42 1.713 -6.997 -6.997 322 HE1 PHE 42 2HE PHE 42 -3.134 -6.514 -6.514 323 HE2 PHE 42 1HE PHE 42 0.472 -8.647 -8.647 324 HZ PHE 42 HZ PHE 42 -1.937 -8.386 -8.386 325 H ASP 43 H ASP 43 -2.021 -5.569 -5.569 326 HA ASP 43 HA ASP 43 -0.557 -7.527 -7.527 327 1HB ASP 43 2HB ASP 43 -2.882 -6.165 -6.165 328 2HB ASP 43 1HB ASP 43 -3.549 -7.648 -7.648 329 HD2 ASP 43 2HD ASP 43 -3.646 -7.729 -7.729 330 H SER 44 H SER 44 -0.384 -9.733 -9.733 331 HA SER 44 HA SER 44 -1.484 -10.431 -10.431 332 1HB SER 44 2HB SER 44 0.139 -12.131 -12.131 333 2HB SER 44 1HB SER 44 0.956 -10.865 -10.865 334 HG SER 44 HG SER 44 -0.123 -13.344 -13.344 335 H TYR 45 H TYR 45 -2.286 -10.678 -10.678 336 HA TYR 45 HA TYR 45 -3.436 -13.267 -13.267 337 1HB TYR 45 2HB TYR 45 -3.993 -12.565 -12.565 338 2HB TYR 45 1HB TYR 45 -2.692 -11.446 -11.446 339 HD1 TYR 45 HD1 TYR 45 -4.070 -9.516 -9.516 340 HD2 TYR 45 HD2 TYR 45 -5.401 -11.373 -11.373 341 HE1 TYR 45 HE1 TYR 45 -5.639 -7.563 -7.563 342 HE2 TYR 45 HE2 TYR 45 -6.965 -9.414 -9.414 343 HH TYR 45 HH TYR 45 -7.714 -7.526 -7.526 344 H LYS 46 H LYS 46 -4.310 -10.431 -10.431 345 HA LYS 46 HA LYS 46 -6.940 -11.537 -11.537 346 1HB LYS 46 2HB LYS 46 -6.513 -8.793 -8.793 347 2HB LYS 46 1HB LYS 46 -7.968 -9.232 -9.232 348 1HG LYS 46 2HG LYS 46 -7.910 -11.354 -11.354 349 2HG LYS 46 1HG LYS 46 -6.944 -10.280 -10.280 350 1HD LYS 46 2HD LYS 46 -8.727 -8.603 -8.603 351 2HD LYS 46 1HD LYS 46 -9.663 -9.489 -9.489 352 1HE LYS 46 2HE LYS 46 -10.395 -11.066 -11.066 353 2HE LYS 46 1HE LYS 46 -8.904 -11.026 -11.026 354 1HZ LYS 46 1HZ LYS 46 -11.260 -9.357 -9.357 355 2HZ LYS 46 2HZ LYS 46 -10.185 -9.827 -9.827 356 H GLY 47 H GLY 47 -4.762 -8.686 -8.686 357 1HA GLY 47 1HA GLY 47 -3.707 -8.561 -8.561 358 2HA GLY 47 2HA GLY 47 -5.205 -9.124 -9.124 359 H LYS 48 H LYS 48 -5.485 -6.942 -6.942 360 HA LYS 48 HA LYS 48 -6.595 -4.942 -4.942 361 1HB LYS 48 2HB LYS 48 -6.640 -5.420 -5.420 362 2HB LYS 48 1HB LYS 48 -7.118 -3.871 -3.871 363 1HG LYS 48 2HG LYS 48 -8.669 -5.228 -5.228 364 2HG LYS 48 1HG LYS 48 -8.366 -6.594 -6.594 365 1HD LYS 48 2HD LYS 48 -9.131 -4.065 -4.065 366 2HD LYS 48 1HD LYS 48 -10.383 -4.762 -4.762 367 1HE LYS 48 2HE LYS 48 -10.780 -6.413 -6.413 368 2HE LYS 48 1HE LYS 48 -9.091 -6.878 -6.878 369 1HZ LYS 48 1HZ LYS 48 -8.659 -5.475 -5.475 370 2HZ LYS 48 2HZ LYS 48 -9.886 -4.453 -4.453 371 H CYS 49 H CYS 49 -6.075 -2.539 -2.539 372 HA CYS 49 HA CYS 49 -3.165 -2.395 -2.395 373 1HB CYS 49 2HB CYS 49 -3.353 -1.757 -1.757 374 2HB CYS 49 1HB CYS 49 -4.966 -1.101 -1.101 375 H TYR 50 H TYR 50 -3.111 -1.886 -1.886 376 HA TYR 50 HA TYR 50 -5.030 -0.170 -0.170 377 1HB TYR 50 2HB TYR 50 -2.295 -1.392 -1.392 378 2HB TYR 50 1HB TYR 50 -3.022 -0.270 -0.270 379 HD1 TYR 50 HD2 TYR 50 -5.552 -2.111 -2.111 380 HD2 TYR 50 HD1 TYR 50 -2.708 -2.398 -2.398 381 HE1 TYR 50 HE2 TYR 50 -6.886 -4.014 -4.014 382 HE2 TYR 50 HE1 TYR 50 -4.052 -4.301 -4.301 383 HH TYR 50 HH TYR 50 -7.017 -4.879 -4.879 384 H CYS 51 H CYS 51 -4.604 1.492 1.492 385 HA CYS 51 HA CYS 51 -2.268 3.029 3.029 386 1HB CYS 51 2HB CYS 51 -4.890 4.143 4.143 387 2HB CYS 51 1HB CYS 51 -3.274 4.446 4.446 Start of MODEL 18 1 H ALA 1 H ALA 1 2.580 -12.234 -12.234 2 HA ALA 1 HA ALA 1 4.393 -11.230 -11.230 3 1HB ALA 1 2HB ALA 1 2.228 -12.977 -12.977 4 2HB ALA 1 3HB ALA 1 2.782 -12.025 -12.025 5 3HB ALA 1 1HB ALA 1 3.941 -13.018 -13.018 6 H THR 2 H THR 2 2.794 -8.959 -8.959 7 HA THR 2 HA THR 2 1.707 -7.618 -7.618 8 HB THR 2 HB THR 2 2.761 -6.163 -6.163 9 HG1 THR 2 1HG THR 2 0.906 -7.209 -7.209 10 1HG2 THR 2 3HG2 THR 2 1.019 -5.378 -5.378 11 2HG2 THR 2 1HG2 THR 2 -0.123 -6.294 -6.294 12 3HG2 THR 2 2HG2 THR 2 0.778 -4.924 -4.924 13 H TYR 3 H TYR 3 2.521 -5.904 -5.904 14 HA TYR 3 HA TYR 3 5.463 -5.793 -5.793 15 1HB TYR 3 2HB TYR 3 3.396 -5.375 -5.375 16 2HB TYR 3 1HB TYR 3 5.134 -5.423 -5.423 17 HD1 TYR 3 HD2 TYR 3 2.138 -7.456 -7.456 18 HD2 TYR 3 HD1 TYR 3 6.329 -7.520 -7.520 19 HE1 TYR 3 HE2 TYR 3 2.023 -9.962 -9.962 20 HE2 TYR 3 HE1 TYR 3 6.199 -10.026 -10.026 21 HH TYR 3 HH TYR 3 4.936 -11.842 -11.842 22 H ASN 4 H ASN 4 6.309 -3.847 -3.847 23 HA ASN 4 HA ASN 4 4.586 -1.650 -1.650 24 1HB ASN 4 2HB ASN 4 7.608 -1.386 -1.386 25 2HB ASN 4 1HB ASN 4 6.490 -0.560 -0.560 26 1HD2 ASN 4 2HD2 ASN 4 5.883 -3.704 -3.704 27 2HD2 ASN 4 1HD2 ASN 4 4.944 -2.635 -2.635 28 H GLY 5 H GLY 5 5.051 0.556 0.556 29 1HA GLY 5 1HA GLY 5 6.621 0.968 0.968 30 2HA GLY 5 2HA GLY 5 5.139 0.269 0.269 31 H LYS 6 H LYS 6 4.964 2.466 2.466 32 HA LYS 6 HA LYS 6 3.686 4.337 4.337 33 1HB LYS 6 2HB LYS 6 5.095 5.317 5.317 34 2HB LYS 6 1HB LYS 6 4.714 6.170 6.170 35 1HG LYS 6 2HG LYS 6 6.892 5.779 5.779 36 2HG LYS 6 1HG LYS 6 6.349 4.163 4.163 37 1HD LYS 6 2HD LYS 6 7.102 3.251 3.251 38 2HD LYS 6 1HD LYS 6 7.135 4.814 4.814 39 1HE LYS 6 2HE LYS 6 9.246 5.291 5.291 40 2HE LYS 6 1HE LYS 6 8.909 4.698 4.698 41 1HZ LYS 6 1HZ LYS 6 8.971 2.391 2.391 42 2HZ LYS 6 2HZ LYS 6 9.909 3.205 3.205 43 H CYS 7 H CYS 7 2.186 5.911 5.911 44 HA CYS 7 HA CYS 7 0.931 4.412 4.412 45 1HB CYS 7 2HB CYS 7 -1.257 5.468 5.468 46 2HB CYS 7 1HB CYS 7 -0.664 3.868 3.868 47 H TYR 8 H TYR 8 -0.472 5.899 5.899 48 HA TYR 8 HA TYR 8 0.538 8.660 8.660 49 1HB TYR 8 2HB TYR 8 -0.152 6.745 6.745 50 2HB TYR 8 1HB TYR 8 0.150 8.451 8.451 51 HD1 TYR 8 HD2 TYR 8 1.823 5.603 5.603 52 HD2 TYR 8 HD1 TYR 8 2.261 8.989 8.989 53 HE1 TYR 8 HE2 TYR 8 4.314 5.138 5.138 54 HE2 TYR 8 HE1 TYR 8 4.751 8.512 8.512 55 HH TYR 8 HH TYR 8 6.244 6.634 6.634 56 H LYS 9 H LYS 9 -0.937 10.342 10.342 57 HA LYS 9 HA LYS 9 -3.701 9.558 9.558 58 1HB LYS 9 2HB LYS 9 -4.082 11.898 11.898 59 2HB LYS 9 1HB LYS 9 -2.733 11.289 11.289 60 1HG LYS 9 2HG LYS 9 -1.803 13.275 13.275 61 2HG LYS 9 1HG LYS 9 -1.284 12.188 12.188 62 1HD LYS 9 2HD LYS 9 -2.235 13.809 13.809 63 2HD LYS 9 1HD LYS 9 -3.684 12.869 12.869 64 1HE LYS 9 2HE LYS 9 -4.646 14.532 14.532 65 2HE LYS 9 1HE LYS 9 -3.181 14.820 14.820 66 1HZ LYS 9 1HZ LYS 9 -2.680 15.742 15.742 67 2HZ LYS 9 2HZ LYS 9 -4.167 16.293 16.293 68 H LYS 10 H LYS 10 -1.632 11.431 11.431 69 HA LYS 10 HA LYS 10 -3.641 12.125 12.125 70 1HB LYS 10 2HB LYS 10 -0.818 12.303 12.303 71 2HB LYS 10 1HB LYS 10 -1.176 11.560 11.560 72 1HG LYS 10 2HG LYS 10 -3.054 13.484 13.484 73 2HG LYS 10 1HG LYS 10 -1.980 14.279 14.279 74 1HD LYS 10 2HD LYS 10 -0.967 13.112 13.112 75 2HD LYS 10 1HD LYS 10 -1.592 14.746 14.746 76 1HE LYS 10 2HE LYS 10 0.393 14.096 14.096 77 2HE LYS 10 1HE LYS 10 1.045 14.003 14.003 78 1HZ LYS 10 1HZ LYS 10 0.131 16.338 16.338 79 2HZ LYS 10 2HZ LYS 10 1.239 16.236 16.236 80 H ASP 11 H ASP 11 -2.155 9.014 9.014 81 HA ASP 11 HA ASP 11 -3.481 7.958 7.958 82 1HB ASP 11 2HB ASP 11 -0.938 7.604 7.604 83 2HB ASP 11 1HB ASP 11 -1.398 6.541 6.541 84 HD1 ASP 11 2HD ASP 11 -3.664 5.333 5.333 85 H ASN 12 H ASN 12 -3.479 8.223 8.223 86 HA ASN 12 HA ASN 12 -4.529 7.236 7.236 87 1HB ASN 12 2HB ASN 12 -6.556 8.020 8.020 88 2HB ASN 12 1HB ASN 12 -6.494 6.756 6.756 89 1HD2 ASN 12 2HD2 ASN 12 -7.704 5.915 5.915 90 2HD2 ASN 12 1HD2 ASN 12 -6.640 7.233 7.233 91 H ILE 13 H ILE 13 -2.535 5.584 5.584 92 HA ILE 13 HA ILE 13 -3.744 2.934 2.934 93 HB ILE 13 HB ILE 13 -1.908 2.108 2.108 94 1HG1 ILE 13 2HG1 ILE 13 -1.251 4.160 4.160 95 2HG1 ILE 13 3HG1 ILE 13 -1.333 5.023 5.023 96 1HG2 ILE 13 2HG2 ILE 13 -4.418 2.949 2.949 97 2HG2 ILE 13 3HG2 ILE 13 -3.463 3.933 3.933 98 3HG2 ILE 13 1HG2 ILE 13 -3.321 2.159 2.159 99 1HD1 ILE 13 3HD1 ILE 13 0.203 3.330 3.330 100 2HD1 ILE 13 1HD1 ILE 13 0.321 2.515 2.515 101 3HD1 ILE 13 2HD1 ILE 13 0.946 4.170 4.170 102 H CYS 14 H CYS 14 -1.612 1.342 1.342 103 HA CYS 14 HA CYS 14 0.006 2.676 2.676 104 1HB CYS 14 2HB CYS 14 -1.595 1.766 1.766 105 2HB CYS 14 1HB CYS 14 -1.825 0.341 0.341 106 H LYS 15 H LYS 15 2.116 2.311 2.311 107 HA LYS 15 HA LYS 15 2.659 -0.123 -0.123 108 1HB LYS 15 2HB LYS 15 4.091 2.546 2.546 109 2HB LYS 15 1HB LYS 15 4.721 1.135 1.135 110 1HG LYS 15 2HG LYS 15 3.100 1.203 1.203 111 2HG LYS 15 1HG LYS 15 1.886 1.913 1.913 112 1HD LYS 15 2HD LYS 15 2.863 3.450 3.450 113 2HD LYS 15 1HD LYS 15 2.814 4.106 4.106 114 1HE LYS 15 2HE LYS 15 5.173 3.707 3.707 115 2HE LYS 15 1HE LYS 15 5.282 2.674 2.674 116 1HZ LYS 15 1HZ LYS 15 5.759 4.502 4.502 117 2HZ LYS 15 2HZ LYS 15 4.296 5.140 5.140 118 H TYR 16 H TYR 16 3.726 -1.749 -1.749 119 HA TYR 16 HA TYR 16 5.573 -1.052 -1.052 120 1HB TYR 16 2HB TYR 16 4.486 -2.857 -2.857 121 2HB TYR 16 1HB TYR 16 3.302 -1.634 -1.634 122 HD1 TYR 16 HD2 TYR 16 4.555 -5.007 -5.007 123 HD2 TYR 16 HD1 TYR 16 1.338 -2.195 -2.195 124 HE1 TYR 16 HE2 TYR 16 3.058 -6.792 -6.792 125 HE2 TYR 16 HE1 TYR 16 -0.148 -3.989 -3.989 126 HH TYR 16 HH TYR 16 -0.339 -6.083 -6.083 127 H LYS 17 H LYS 17 7.018 -2.921 -2.921 128 HA LYS 17 HA LYS 17 7.826 -4.219 -4.219 129 1HB LYS 17 2HB LYS 17 8.970 -4.197 -4.197 130 2HB LYS 17 1HB LYS 17 9.697 -5.052 -5.052 131 1HG LYS 17 2HG LYS 17 9.007 -2.227 -2.227 132 2HG LYS 17 1HG LYS 17 10.191 -2.399 -2.399 133 1HD LYS 17 2HD LYS 17 11.764 -3.460 -3.460 134 2HD LYS 17 1HD LYS 17 10.542 -4.046 -4.046 135 1HE LYS 17 2HE LYS 17 10.370 -1.995 -1.995 136 2HE LYS 17 1HE LYS 17 10.868 -1.059 -1.059 137 1HZ LYS 17 1HZ LYS 17 12.805 -2.897 -2.897 138 2HZ LYS 17 2HZ LYS 17 12.543 -1.442 -1.442 139 H ALA 18 H ALA 18 7.563 -6.351 -6.351 140 HA ALA 18 HA ALA 18 5.586 -7.808 -7.808 141 1HB ALA 18 1HB ALA 18 5.670 -7.786 -7.786 142 2HB ALA 18 2HB ALA 18 7.286 -8.532 -8.532 143 3HB ALA 18 3HB ALA 18 5.871 -9.441 -9.441 144 H GLN 19 H GLN 19 7.760 -10.063 -10.063 145 HA GLN 19 HA GLN 19 9.068 -10.312 -10.312 146 1HB GLN 19 2HB GLN 19 7.083 -12.006 -12.006 147 2HB GLN 19 1HB GLN 19 8.502 -12.835 -12.835 148 1HG GLN 19 2HG GLN 19 8.129 -13.688 -13.688 149 2HG GLN 19 1HG GLN 19 9.525 -12.634 -12.634 150 1HE2 GLN 19 2HE2 GLN 19 8.089 -10.213 -10.213 151 2HE2 GLN 19 1HE2 GLN 19 9.401 -10.673 -10.673 152 H SER 20 H SER 20 9.487 -9.622 -9.622 153 HA SER 20 HA SER 20 12.176 -10.705 -10.705 154 1HB SER 20 2HB SER 20 10.102 -11.563 -11.563 155 2HB SER 20 1HB SER 20 11.304 -10.692 -10.692 156 HG SER 20 HG SER 20 12.863 -12.138 -12.138 157 H GLY 21 H GLY 21 10.462 -8.035 -8.035 158 1HA GLY 21 1HA GLY 21 11.186 -5.876 -5.876 159 2HA GLY 21 2HA GLY 21 12.426 -6.398 -6.398 160 H LYS 22 H LYS 22 10.063 -8.061 -8.061 161 HA LYS 22 HA LYS 22 9.710 -6.585 -6.585 162 1HB LYS 22 2HB LYS 22 8.279 -8.792 -8.792 163 2HB LYS 22 1HB LYS 22 7.265 -7.850 -7.850 164 1HG LYS 22 2HG LYS 22 10.025 -8.720 -8.720 165 2HG LYS 22 1HG LYS 22 8.689 -9.853 -9.853 166 1HD LYS 22 2HD LYS 22 7.937 -7.227 -7.227 167 2HD LYS 22 1HD LYS 22 9.322 -7.904 -7.904 168 1HE LYS 22 2HE LYS 22 7.463 -8.793 -8.793 169 2HE LYS 22 1HE LYS 22 7.958 -10.113 -10.113 170 1HZ LYS 22 1HZ LYS 22 5.859 -10.072 -10.072 171 2HZ LYS 22 2HZ LYS 22 6.177 -8.657 -8.657 172 H THR 23 H THR 23 8.205 -6.071 -6.071 173 HA THR 23 HA THR 23 6.777 -4.534 -4.534 174 HB THR 23 HB THR 23 8.723 -3.235 -3.235 175 HG1 THR 23 1HG THR 23 7.265 -2.374 -2.374 176 1HG2 THR 23 2HG2 THR 23 6.022 -1.909 -1.909 177 2HG2 THR 23 3HG2 THR 23 7.506 -0.985 -0.985 178 3HG2 THR 23 1HG2 THR 23 6.836 -2.074 -2.074 179 H ALA 24 H ALA 24 4.686 -5.077 -5.077 180 HA ALA 24 HA ALA 24 3.485 -4.794 -4.794 181 1HB ALA 24 1HB ALA 24 3.270 -6.978 -6.978 182 2HB ALA 24 2HB ALA 24 2.504 -6.181 -6.181 183 3HB ALA 24 3HB ALA 24 1.684 -6.192 -6.192 184 H ILE 25 H ILE 25 1.271 -3.807 -3.807 185 HA ILE 25 HA ILE 25 1.125 -1.600 -1.600 186 HB ILE 25 HB ILE 25 -0.147 -1.588 -1.588 187 1HG1 ILE 25 2HG1 ILE 25 2.050 -2.105 -2.105 188 2HG1 ILE 25 3HG1 ILE 25 1.951 -0.360 -0.360 189 1HG2 ILE 25 1HG2 ILE 25 0.467 0.373 0.373 190 2HG2 ILE 25 2HG2 ILE 25 0.630 0.933 0.933 191 3HG2 ILE 25 3HG2 ILE 25 -0.921 0.272 0.272 192 1HD1 ILE 25 2HD1 ILE 25 2.736 -0.768 -0.768 193 2HD1 ILE 25 3HD1 ILE 25 3.637 -2.003 -2.003 194 3HD1 ILE 25 1HD1 ILE 25 3.797 -0.285 -0.285 195 H CYS 26 H CYS 26 -0.743 -1.273 -1.273 196 HA CYS 26 HA CYS 26 -2.957 -3.076 -3.076 197 1HB CYS 26 2HB CYS 26 -1.937 -4.116 -4.116 198 2HB CYS 26 1HB CYS 26 -1.653 -2.595 -2.595 199 H LYS 27 H LYS 27 -4.358 -1.542 -1.542 200 HA LYS 27 HA LYS 27 -4.509 1.088 1.088 201 1HB LYS 27 2HB LYS 27 -6.925 -0.729 -0.729 202 2HB LYS 27 1HB LYS 27 -6.847 0.967 0.967 203 1HG LYS 27 2HG LYS 27 -6.005 0.460 0.460 204 2HG LYS 27 1HG LYS 27 -4.669 -0.414 -0.414 205 1HD LYS 27 2HD LYS 27 -7.388 -1.738 -1.738 206 2HD LYS 27 1HD LYS 27 -6.436 -1.664 -1.664 207 1HE LYS 27 2HE LYS 27 -4.483 -2.665 -2.665 208 2HE LYS 27 1HE LYS 27 -5.631 -2.948 -2.948 209 1HZ LYS 27 1HZ LYS 27 -6.021 -3.985 -3.985 210 2HZ LYS 27 2HZ LYS 27 -5.358 -4.863 -4.863 211 H CYS 28 H CYS 28 -5.714 2.549 2.549 212 HA CYS 28 HA CYS 28 -5.577 1.734 1.734 213 1HB CYS 28 2HB CYS 28 -6.437 4.276 4.276 214 2HB CYS 28 1HB CYS 28 -6.577 4.065 4.065 215 H TYR 29 H TYR 29 -7.697 2.613 2.613 216 HA TYR 29 HA TYR 29 -10.221 2.328 2.328 217 1HB TYR 29 2HB TYR 29 -9.439 -0.037 -0.037 218 2HB TYR 29 1HB TYR 29 -8.919 -0.130 -0.130 219 HD1 TYR 29 HD2 TYR 29 -12.121 1.113 1.113 220 HD2 TYR 29 HD1 TYR 29 -10.230 -1.732 -1.732 221 HE1 TYR 29 HE2 TYR 29 -14.396 0.189 0.189 222 HE2 TYR 29 HE1 TYR 29 -12.510 -2.646 -2.646 223 HH TYR 29 HH TYR 29 -15.470 -1.103 -1.103 224 H VAL 30 H VAL 30 -11.891 2.638 2.638 225 HA VAL 30 HA VAL 30 -12.768 3.285 3.285 226 HB VAL 30 HB VAL 30 -10.441 2.167 2.167 227 1HG1 VAL 30 3HG1 VAL 30 -13.438 2.297 2.297 228 2HG1 VAL 30 1HG1 VAL 30 -12.305 1.415 1.415 229 3HG1 VAL 30 2HG1 VAL 30 -12.165 3.181 3.181 230 1HG2 VAL 30 2HG2 VAL 30 -12.148 0.708 0.708 231 2HG2 VAL 30 3HG2 VAL 30 -10.611 0.234 0.234 232 3HG2 VAL 30 1HG2 VAL 30 -12.144 0.018 0.018 233 H LYS 31 H LYS 31 -9.234 3.525 3.525 234 HA LYS 31 HA LYS 31 -9.694 6.396 6.396 235 1HB LYS 31 2HB LYS 31 -8.025 4.362 4.362 236 2HB LYS 31 1HB LYS 31 -7.408 5.999 5.999 237 1HG LYS 31 2HG LYS 31 -9.015 6.837 6.837 238 2HG LYS 31 1HG LYS 31 -10.288 5.853 5.853 239 1HD LYS 31 2HD LYS 31 -8.693 3.936 3.936 240 2HD LYS 31 1HD LYS 31 -8.531 5.298 5.298 241 1HE LYS 31 2HE LYS 31 -11.089 5.500 5.500 242 2HE LYS 31 1HE LYS 31 -11.134 3.989 3.989 243 1HZ LYS 31 1HZ LYS 31 -9.546 3.330 3.330 244 2HZ LYS 31 2HZ LYS 31 -10.495 4.430 4.430 245 H LYS 32 H LYS 32 -9.496 6.782 6.782 246 HA LYS 32 HA LYS 32 -7.561 5.983 5.983 247 1HB LYS 32 2HB LYS 32 -8.755 7.401 7.401 248 2HB LYS 32 1HB LYS 32 -9.376 8.207 8.207 249 1HG LYS 32 2HG LYS 32 -7.287 9.584 9.584 250 2HG LYS 32 1HG LYS 32 -6.671 8.780 8.780 251 1HD LYS 32 2HD LYS 32 -7.753 11.026 11.026 252 2HD LYS 32 1HD LYS 32 -8.427 9.703 9.703 253 1HE LYS 32 2HE LYS 32 -10.396 9.586 9.586 254 2HE LYS 32 1HE LYS 32 -9.661 10.500 10.500 255 1HZ LYS 32 1HZ LYS 32 -10.535 11.545 11.545 256 2HZ LYS 32 2HZ LYS 32 -11.059 12.004 12.004 257 H CYS 33 H CYS 33 -5.517 7.042 7.042 258 HA CYS 33 HA CYS 33 -3.690 7.170 7.170 259 1HB CYS 33 2HB CYS 33 -3.042 6.573 6.573 260 2HB CYS 33 1HB CYS 33 -3.512 8.146 8.146 261 HA PRO 34 HA PRO 34 -4.281 11.301 11.301 262 1HB PRO 34 2HB PRO 34 -2.121 11.556 11.556 263 2HB PRO 34 1HB PRO 34 -3.621 10.796 10.796 264 1HG PRO 34 2HG PRO 34 -1.040 9.529 9.529 265 2HG PRO 34 1HG PRO 34 -2.393 8.853 8.853 266 1HD PRO 34 2HD PRO 34 -1.685 8.313 8.313 267 2HD PRO 34 1HD PRO 34 -3.102 7.730 7.730 268 H ARG 35 H ARG 35 -1.221 10.304 10.304 269 HA ARG 35 HA ARG 35 -1.160 12.281 12.281 270 1HB ARG 35 2HB ARG 35 0.834 13.656 13.656 271 2HB ARG 35 1HB ARG 35 -0.831 14.095 14.095 272 1HG ARG 35 2HG ARG 35 -0.825 12.974 12.974 273 2HG ARG 35 1HG ARG 35 0.656 12.112 12.112 274 1HD ARG 35 2HD ARG 35 1.793 13.783 13.783 275 2HD ARG 35 1HD ARG 35 1.364 14.830 14.830 276 HE ARG 35 HE ARG 35 0.058 14.737 14.737 277 1HH1 ARG 35 2HH2 ARG 35 -0.082 15.951 15.951 278 2HH1 ARG 35 1HH2 ARG 35 -1.188 17.228 17.228 279 HH2 ARG 35 1HH ARG 35 -1.950 17.487 17.487 280 H ASP 36 H ASP 36 0.636 11.946 11.946 281 HA ASP 36 HA ASP 36 1.827 9.605 9.605 282 1HB ASP 36 2HB ASP 36 3.276 12.205 12.205 283 2HB ASP 36 1HB ASP 36 3.595 10.633 10.633 284 HD2 ASP 36 2HD ASP 36 2.348 13.364 13.364 285 H GLY 37 H GLY 37 3.530 8.519 8.519 286 1HA GLY 37 1HA GLY 37 5.612 8.480 8.480 287 2HA GLY 37 2HA GLY 37 5.340 10.104 10.104 288 H ALA 38 H ALA 38 2.364 9.130 9.130 289 HA ALA 38 HA ALA 38 2.638 8.748 8.748 290 1HB ALA 38 2HB ALA 38 0.399 8.003 8.003 291 2HB ALA 38 3HB ALA 38 0.240 8.021 8.021 292 3HB ALA 38 1HB ALA 38 0.581 9.531 9.531 293 H LYS 39 H LYS 39 3.406 7.067 7.067 294 HA LYS 39 HA LYS 39 4.103 4.643 4.643 295 1HB LYS 39 2HB LYS 39 5.313 5.643 5.643 296 2HB LYS 39 1HB LYS 39 3.932 5.338 5.338 297 1HG LYS 39 2HG LYS 39 4.697 2.917 2.917 298 2HG LYS 39 1HG LYS 39 6.052 3.552 3.552 299 1HD LYS 39 2HD LYS 39 4.659 3.601 3.601 300 2HD LYS 39 1HD LYS 39 3.281 3.004 3.004 301 1HE LYS 39 2HE LYS 39 5.930 1.511 1.511 302 2HE LYS 39 1HE LYS 39 4.483 1.186 1.186 303 1HZ LYS 39 1HZ LYS 39 3.432 0.941 0.941 304 2HZ LYS 39 2HZ LYS 39 4.965 0.648 0.648 305 H CYS 40 H CYS 40 3.220 2.522 2.522 306 HA CYS 40 HA CYS 40 0.745 2.241 2.241 307 1HB CYS 40 2HB CYS 40 -0.297 3.167 3.167 308 2HB CYS 40 1HB CYS 40 0.792 2.386 2.386 309 H GLU 41 H GLU 41 0.013 -0.131 -0.131 310 HA GLU 41 HA GLU 41 2.247 -1.810 -1.810 311 1HB GLU 41 2HB GLU 41 1.260 -3.212 -3.212 312 2HB GLU 41 1HB GLU 41 2.635 -2.129 -2.129 313 1HG GLU 41 2HG GLU 41 -0.167 -1.022 -1.022 314 2HG GLU 41 1HG GLU 41 0.612 -1.837 -1.837 315 HE1 GLU 41 2HE GLU 41 3.027 -1.041 -1.041 316 H PHE 42 H PHE 42 1.665 -3.642 -3.642 317 HA PHE 42 HA PHE 42 -1.174 -3.897 -3.897 318 1HB PHE 42 2HB PHE 42 0.442 -3.786 -3.786 319 2HB PHE 42 1HB PHE 42 1.447 -5.020 -5.020 320 HD1 PHE 42 2HD PHE 42 -2.162 -4.715 -4.715 321 HD2 PHE 42 1HD PHE 42 1.387 -7.036 -7.036 322 HE1 PHE 42 2HE PHE 42 -3.371 -6.480 -6.480 323 HE2 PHE 42 1HE PHE 42 0.179 -8.801 -8.801 324 HZ PHE 42 HZ PHE 42 -2.186 -8.502 -8.502 325 H ASP 43 H ASP 43 -2.407 -5.378 -5.378 326 HA ASP 43 HA ASP 43 -1.120 -7.316 -7.316 327 1HB ASP 43 2HB ASP 43 -3.896 -6.332 -6.332 328 2HB ASP 43 1HB ASP 43 -3.792 -8.009 -8.009 329 HD2 ASP 43 2HD ASP 43 -3.855 -6.837 -6.837 330 H SER 44 H SER 44 -0.641 -9.429 -9.429 331 HA SER 44 HA SER 44 -1.563 -10.217 -10.217 332 1HB SER 44 2HB SER 44 0.374 -11.395 -11.395 333 2HB SER 44 1HB SER 44 0.839 -10.531 -10.531 334 HG SER 44 HG SER 44 0.820 -12.390 -12.390 335 H TYR 45 H TYR 45 -3.326 -10.093 -10.093 336 HA TYR 45 HA TYR 45 -4.003 -12.939 -12.939 337 1HB TYR 45 2HB TYR 45 -5.211 -10.641 -10.641 338 2HB TYR 45 1HB TYR 45 -4.887 -12.274 -12.274 339 HD1 TYR 45 HD1 TYR 45 -1.948 -12.318 -12.318 340 HD2 TYR 45 HD2 TYR 45 -4.171 -9.534 -9.534 341 HE1 TYR 45 HE1 TYR 45 0.204 -11.522 -11.522 342 HE2 TYR 45 HE2 TYR 45 -2.012 -8.746 -8.746 343 HH TYR 45 HH TYR 45 0.120 -9.040 -9.040 344 H LYS 46 H LYS 46 -5.084 -9.788 -9.788 345 HA LYS 46 HA LYS 46 -7.567 -11.091 -11.091 346 1HB LYS 46 2HB LYS 46 -7.474 -8.165 -8.165 347 2HB LYS 46 1HB LYS 46 -8.864 -9.219 -9.219 348 1HG LYS 46 2HG LYS 46 -7.598 -10.541 -10.541 349 2HG LYS 46 1HG LYS 46 -6.953 -8.939 -8.939 350 1HD LYS 46 2HD LYS 46 -9.866 -8.919 -8.919 351 2HD LYS 46 1HD LYS 46 -9.437 -9.890 -9.890 352 1HE LYS 46 2HE LYS 46 -7.873 -7.484 -7.484 353 2HE LYS 46 1HE LYS 46 -9.512 -7.000 -7.000 354 1HZ LYS 46 1HZ LYS 46 -8.942 -8.914 -8.914 355 2HZ LYS 46 2HZ LYS 46 -8.991 -7.306 -7.306 356 H GLY 47 H GLY 47 -5.317 -8.287 -8.287 357 1HA GLY 47 1HA GLY 47 -4.176 -8.204 -8.204 358 2HA GLY 47 2HA GLY 47 -5.661 -8.727 -8.727 359 H LYS 48 H LYS 48 -6.002 -6.529 -6.529 360 HA LYS 48 HA LYS 48 -6.902 -4.481 -4.481 361 1HB LYS 48 2HB LYS 48 -7.338 -5.068 -5.068 362 2HB LYS 48 1HB LYS 48 -7.614 -3.448 -3.448 363 1HG LYS 48 2HG LYS 48 -9.660 -4.138 -4.138 364 2HG LYS 48 1HG LYS 48 -8.855 -5.105 -5.105 365 1HD LYS 48 2HD LYS 48 -10.253 -6.634 -6.634 366 2HD LYS 48 1HD LYS 48 -8.622 -6.956 -6.956 367 1HE LYS 48 2HE LYS 48 -10.485 -6.731 -6.731 368 2HE LYS 48 1HE LYS 48 -8.973 -5.892 -5.892 369 1HZ LYS 48 1HZ LYS 48 -11.193 -4.597 -4.597 370 2HZ LYS 48 2HZ LYS 48 -9.945 -3.848 -3.848 371 H CYS 49 H CYS 49 -6.450 -2.112 -2.112 372 HA CYS 49 HA CYS 49 -3.543 -2.067 -2.067 373 1HB CYS 49 2HB CYS 49 -3.601 -1.014 -1.014 374 2HB CYS 49 1HB CYS 49 -5.288 -0.564 -0.564 375 H TYR 50 H TYR 50 -3.397 -1.845 -1.845 376 HA TYR 50 HA TYR 50 -5.319 -0.303 -0.303 377 1HB TYR 50 2HB TYR 50 -2.771 -1.903 -1.903 378 2HB TYR 50 1HB TYR 50 -3.178 -0.764 -0.764 379 HD1 TYR 50 HD2 TYR 50 -6.002 -2.204 -2.204 380 HD2 TYR 50 HD1 TYR 50 -3.297 -2.784 -2.784 381 HE1 TYR 50 HE2 TYR 50 -7.590 -3.906 -3.906 382 HE2 TYR 50 HE1 TYR 50 -4.894 -4.484 -4.484 383 HH TYR 50 HH TYR 50 -6.926 -5.311 -5.311 384 H CYS 51 H CYS 51 -4.553 1.512 1.512 385 HA CYS 51 HA CYS 51 -2.221 2.912 2.912 386 1HB CYS 51 2HB CYS 51 -4.777 4.180 4.180 387 2HB CYS 51 1HB CYS 51 -3.127 4.657 4.657 Start of MODEL 19 1 H ALA 1 H ALA 1 3.495 -11.965 -11.965 2 HA ALA 1 HA ALA 1 4.101 -11.497 -11.497 3 1HB ALA 1 3HB ALA 1 1.791 -13.127 -13.127 4 2HB ALA 1 1HB ALA 1 1.538 -12.195 -12.195 5 3HB ALA 1 2HB ALA 1 2.989 -13.210 -13.210 6 H THR 2 H THR 2 3.274 -9.042 -9.042 7 HA THR 2 HA THR 2 1.599 -7.732 -7.732 8 HB THR 2 HB THR 2 2.758 -6.246 -6.246 9 HG1 THR 2 1HG THR 2 1.428 -7.531 -7.531 10 1HG2 THR 2 3HG2 THR 2 0.723 -5.633 -5.633 11 2HG2 THR 2 1HG2 THR 2 -0.177 -6.757 -6.757 12 3HG2 THR 2 2HG2 THR 2 0.591 -5.311 -5.311 13 H TYR 3 H TYR 3 2.254 -5.907 -5.907 14 HA TYR 3 HA TYR 3 5.180 -5.738 -5.738 15 1HB TYR 3 2HB TYR 3 2.903 -5.154 -5.154 16 2HB TYR 3 1HB TYR 3 4.609 -5.195 -5.195 17 HD1 TYR 3 HD2 TYR 3 1.971 -7.426 -7.426 18 HD2 TYR 3 HD1 TYR 3 5.462 -7.120 -7.120 19 HE1 TYR 3 HE2 TYR 3 1.782 -9.892 -9.892 20 HE2 TYR 3 HE1 TYR 3 5.260 -9.587 -9.587 21 HH TYR 3 HH TYR 3 4.310 -11.517 -11.517 22 H ASN 4 H ASN 4 5.947 -3.889 -3.889 23 HA ASN 4 HA ASN 4 4.169 -1.647 -1.647 24 1HB ASN 4 2HB ASN 4 7.016 -2.181 -2.181 25 2HB ASN 4 1HB ASN 4 6.238 -0.625 -0.625 26 1HD2 ASN 4 2HD2 ASN 4 4.223 -3.803 -3.803 27 2HD2 ASN 4 1HD2 ASN 4 4.737 -3.825 -3.825 28 H GLY 5 H GLY 5 4.433 0.302 0.302 29 1HA GLY 5 1HA GLY 5 6.840 0.805 0.805 30 2HA GLY 5 2HA GLY 5 5.485 0.317 0.317 31 H LYS 6 H LYS 6 4.806 2.194 2.194 32 HA LYS 6 HA LYS 6 3.853 4.288 4.288 33 1HB LYS 6 2HB LYS 6 5.462 4.992 4.992 34 2HB LYS 6 1HB LYS 6 4.932 6.046 6.046 35 1HG LYS 6 2HG LYS 6 6.456 5.009 5.009 36 2HG LYS 6 1HG LYS 6 6.825 3.704 3.704 37 1HD LYS 6 2HD LYS 6 7.548 5.787 5.787 38 2HD LYS 6 1HD LYS 6 7.791 6.552 6.552 39 1HE LYS 6 2HE LYS 6 8.920 3.936 3.936 40 2HE LYS 6 1HE LYS 6 9.440 4.549 4.549 41 1HZ LYS 6 1HZ LYS 6 10.199 5.452 5.452 42 2HZ LYS 6 2HZ LYS 6 10.973 5.664 5.664 43 H CYS 7 H CYS 7 2.320 5.795 5.795 44 HA CYS 7 HA CYS 7 1.077 4.397 4.397 45 1HB CYS 7 2HB CYS 7 -1.110 5.405 5.405 46 2HB CYS 7 1HB CYS 7 -0.490 3.839 3.839 47 H TYR 8 H TYR 8 -0.598 6.069 6.069 48 HA TYR 8 HA TYR 8 0.496 8.781 8.781 49 1HB TYR 8 2HB TYR 8 -0.107 7.097 7.097 50 2HB TYR 8 1HB TYR 8 0.477 8.749 8.749 51 HD1 TYR 8 HD2 TYR 8 1.457 5.405 5.405 52 HD2 TYR 8 HD1 TYR 8 2.751 9.101 9.101 53 HE1 TYR 8 HE2 TYR 8 3.856 4.563 4.563 54 HE2 TYR 8 HE1 TYR 8 5.145 8.248 8.248 55 HH TYR 8 HH TYR 8 6.382 6.363 6.363 56 H LYS 9 H LYS 9 -1.022 10.416 10.416 57 HA LYS 9 HA LYS 9 -3.700 9.746 9.746 58 1HB LYS 9 2HB LYS 9 -2.072 12.156 12.156 59 2HB LYS 9 1HB LYS 9 -3.663 12.356 12.356 60 1HG LYS 9 2HG LYS 9 -4.698 11.494 11.494 61 2HG LYS 9 1HG LYS 9 -3.101 11.345 11.345 62 1HD LYS 9 2HD LYS 9 -2.817 13.649 13.649 63 2HD LYS 9 1HD LYS 9 -3.808 14.017 14.017 64 1HE LYS 9 2HE LYS 9 -5.640 12.821 12.821 65 2HE LYS 9 1HE LYS 9 -4.599 13.712 13.712 66 1HZ LYS 9 1HZ LYS 9 -5.685 15.012 15.012 67 2HZ LYS 9 2HZ LYS 9 -6.553 14.964 14.964 68 H LYS 10 H LYS 10 -2.381 11.517 11.517 69 HA LYS 10 HA LYS 10 -4.474 11.259 11.259 70 1HB LYS 10 2HB LYS 10 -2.058 12.268 12.268 71 2HB LYS 10 1HB LYS 10 -1.733 10.750 10.750 72 1HG LYS 10 2HG LYS 10 -2.484 12.152 12.152 73 2HG LYS 10 1HG LYS 10 -3.906 11.205 11.205 74 1HD LYS 10 2HD LYS 10 -4.819 13.357 13.357 75 2HD LYS 10 1HD LYS 10 -4.443 13.190 13.190 76 1HE LYS 10 2HE LYS 10 -3.409 15.228 15.228 77 2HE LYS 10 1HE LYS 10 -2.066 14.192 14.192 78 1HZ LYS 10 1HZ LYS 10 -2.179 14.998 14.998 79 2HZ LYS 10 2HZ LYS 10 -3.732 14.540 14.540 80 H ASP 11 H ASP 11 -1.720 8.905 8.905 81 HA ASP 11 HA ASP 11 -3.094 7.086 7.086 82 1HB ASP 11 2HB ASP 11 -1.046 6.363 6.363 83 2HB ASP 11 1HB ASP 11 -1.376 5.482 5.482 84 HD2 ASP 11 2HD ASP 11 0.405 5.716 5.716 85 H ASN 12 H ASN 12 -3.295 7.884 7.884 86 HA ASN 12 HA ASN 12 -4.268 6.964 6.964 87 1HB ASN 12 2HB ASN 12 -6.296 7.754 7.754 88 2HB ASN 12 1HB ASN 12 -6.274 6.493 6.493 89 1HD2 ASN 12 2HD2 ASN 12 -7.520 5.698 5.698 90 2HD2 ASN 12 1HD2 ASN 12 -6.447 7.007 7.007 91 H ILE 13 H ILE 13 -2.352 5.214 5.214 92 HA ILE 13 HA ILE 13 -3.650 2.618 2.618 93 HB ILE 13 HB ILE 13 -1.829 1.665 1.665 94 1HG1 ILE 13 2HG1 ILE 13 -0.816 3.108 3.108 95 2HG1 ILE 13 3HG1 ILE 13 -1.647 4.512 4.512 96 1HG2 ILE 13 1HG2 ILE 13 -4.397 2.622 2.622 97 2HG2 ILE 13 2HG2 ILE 13 -3.392 3.172 3.172 98 3HG2 ILE 13 3HG2 ILE 13 -3.454 1.443 1.443 99 1HD1 ILE 13 1HD1 ILE 13 0.122 2.860 2.860 100 2HD1 ILE 13 2HD1 ILE 13 0.837 4.066 4.066 101 3HD1 ILE 13 3HD1 ILE 13 -0.338 4.575 4.575 102 H CYS 14 H CYS 14 -1.525 0.983 0.983 103 HA CYS 14 HA CYS 14 0.122 2.374 2.374 104 1HB CYS 14 2HB CYS 14 -1.542 1.379 1.379 105 2HB CYS 14 1HB CYS 14 -1.528 -0.110 -0.110 106 H LYS 15 H LYS 15 2.197 2.146 2.146 107 HA LYS 15 HA LYS 15 2.820 -0.341 -0.341 108 1HB LYS 15 2HB LYS 15 4.098 2.405 2.405 109 2HB LYS 15 1HB LYS 15 4.705 0.979 0.979 110 1HG LYS 15 2HG LYS 15 2.668 0.763 0.763 111 2HG LYS 15 1HG LYS 15 1.845 1.977 1.977 112 1HD LYS 15 2HD LYS 15 2.678 3.655 3.655 113 2HD LYS 15 1HD LYS 15 4.321 3.099 3.099 114 1HE LYS 15 2HE LYS 15 2.372 1.999 1.999 115 2HE LYS 15 1HE LYS 15 3.710 3.081 3.081 116 1HZ LYS 15 1HZ LYS 15 4.585 0.780 0.780 117 2HZ LYS 15 2HZ LYS 15 3.845 0.338 0.338 118 H TYR 16 H TYR 16 4.536 -1.637 -1.637 119 HA TYR 16 HA TYR 16 6.077 -0.695 -0.695 120 1HB TYR 16 2HB TYR 16 5.592 -3.254 -3.254 121 2HB TYR 16 1HB TYR 16 4.448 -1.993 -1.993 122 HD1 TYR 16 HD1 TYR 16 2.601 -1.531 -1.531 123 HD2 TYR 16 HD2 TYR 16 4.776 -5.184 -5.184 124 HE1 TYR 16 HE1 TYR 16 0.775 -2.790 -2.790 125 HE2 TYR 16 HE2 TYR 16 2.943 -6.431 -6.431 126 HH TYR 16 HH TYR 16 -0.012 -4.765 -4.765 127 H LYS 17 H LYS 17 7.626 -2.821 -2.821 128 HA LYS 17 HA LYS 17 9.051 -3.194 -3.194 129 1HB LYS 17 2HB LYS 17 9.762 -2.934 -2.934 130 2HB LYS 17 1HB LYS 17 10.561 -4.297 -4.297 131 1HG LYS 17 2HG LYS 17 10.487 -1.624 -1.624 132 2HG LYS 17 1HG LYS 17 11.648 -1.885 -1.885 133 1HD LYS 17 2HD LYS 17 12.063 -4.180 -4.180 134 2HD LYS 17 1HD LYS 17 11.491 -3.173 -3.173 135 1HE LYS 17 2HE LYS 17 13.550 -1.966 -1.966 136 2HE LYS 17 1HE LYS 17 14.096 -3.244 -3.244 137 1HZ LYS 17 1HZ LYS 17 12.521 -1.557 -1.557 138 2HZ LYS 17 2HZ LYS 17 13.476 -0.569 -0.569 139 H ALA 18 H ALA 18 6.486 -4.582 -4.582 140 HA ALA 18 HA ALA 18 5.615 -6.648 -6.648 141 1HB ALA 18 1HB ALA 18 6.515 -6.304 -6.304 142 2HB ALA 18 2HB ALA 18 7.909 -7.305 -7.305 143 3HB ALA 18 3HB ALA 18 6.269 -7.999 -7.999 144 H GLN 19 H GLN 19 7.523 -9.067 -9.067 145 HA GLN 19 HA GLN 19 8.669 -9.225 -9.225 146 1HB GLN 19 2HB GLN 19 6.603 -10.878 -10.878 147 2HB GLN 19 1HB GLN 19 8.008 -11.864 -11.864 148 1HG GLN 19 2HG GLN 19 8.020 -10.780 -10.780 149 2HG GLN 19 1HG GLN 19 6.446 -10.118 -10.118 150 1HE2 GLN 19 2HE2 GLN 19 6.986 -14.062 -14.062 151 2HE2 GLN 19 1HE2 GLN 19 8.290 -12.938 -12.938 152 H SER 20 H SER 20 9.334 -8.974 -8.974 153 HA SER 20 HA SER 20 11.857 -10.308 -10.308 154 1HB SER 20 2HB SER 20 9.759 -11.415 -11.415 155 2HB SER 20 1HB SER 20 11.042 -10.872 -10.872 156 HG SER 20 HG SER 20 11.541 -12.497 -12.497 157 H GLY 21 H GLY 21 10.535 -7.514 -7.514 158 1HA GLY 21 1HA GLY 21 11.497 -5.561 -5.561 159 2HA GLY 21 2HA GLY 21 12.554 -6.454 -6.454 160 H LYS 22 H LYS 22 9.969 -8.032 -8.032 161 HA LYS 22 HA LYS 22 9.573 -6.832 -6.832 162 1HB LYS 22 2HB LYS 22 8.233 -8.856 -8.856 163 2HB LYS 22 1HB LYS 22 7.099 -7.978 -7.978 164 1HG LYS 22 2HG LYS 22 8.327 -8.508 -8.508 165 2HG LYS 22 1HG LYS 22 9.712 -9.083 -9.083 166 1HD LYS 22 2HD LYS 22 7.032 -10.420 -10.420 167 2HD LYS 22 1HD LYS 22 7.941 -10.800 -10.800 168 1HE LYS 22 2HE LYS 22 9.323 -10.886 -10.886 169 2HE LYS 22 1HE LYS 22 8.315 -12.229 -12.229 170 1HZ LYS 22 1HZ LYS 22 10.680 -11.187 -11.187 171 2HZ LYS 22 2HZ LYS 22 10.549 -12.641 -12.641 172 H THR 23 H THR 23 8.371 -5.827 -5.827 173 HA THR 23 HA THR 23 7.019 -4.172 -4.172 174 HB THR 23 HB THR 23 8.644 -3.118 -3.118 175 HG1 THR 23 1HG THR 23 9.670 -2.315 -2.315 176 1HG2 THR 23 3HG2 THR 23 6.279 -1.731 -1.731 177 2HG2 THR 23 1HG2 THR 23 7.724 -0.790 -0.790 178 3HG2 THR 23 2HG2 THR 23 6.809 -1.659 -1.659 179 H ALA 24 H ALA 24 4.907 -4.677 -4.677 180 HA ALA 24 HA ALA 24 3.507 -4.530 -4.530 181 1HB ALA 24 3HB ALA 24 3.364 -6.315 -6.315 182 2HB ALA 24 1HB ALA 24 1.785 -5.767 -5.767 183 3HB ALA 24 2HB ALA 24 2.910 -6.618 -6.618 184 H ILE 25 H ILE 25 1.240 -3.640 -3.640 185 HA ILE 25 HA ILE 25 1.173 -1.476 -1.476 186 HB ILE 25 HB ILE 25 -0.233 -1.386 -1.386 187 1HG1 ILE 25 2HG1 ILE 25 1.940 0.049 0.049 188 2HG1 ILE 25 3HG1 ILE 25 2.697 -1.089 -1.089 189 1HG2 ILE 25 1HG2 ILE 25 0.051 0.347 0.347 190 2HG2 ILE 25 2HG2 ILE 25 0.820 1.110 1.110 191 3HG2 ILE 25 3HG2 ILE 25 -0.881 0.591 0.591 192 1HD1 ILE 25 1HD1 ILE 25 1.051 -2.716 -2.716 193 2HD1 ILE 25 2HD1 ILE 25 1.714 -1.516 -1.516 194 3HD1 ILE 25 3HD1 ILE 25 2.813 -2.521 -2.521 195 H CYS 26 H CYS 26 -0.704 -1.158 -1.158 196 HA CYS 26 HA CYS 26 -2.841 -3.085 -3.085 197 1HB CYS 26 2HB CYS 26 -1.540 -3.871 -3.871 198 2HB CYS 26 1HB CYS 26 -1.709 -2.320 -2.320 199 H LYS 27 H LYS 27 -4.309 -1.644 -1.644 200 HA LYS 27 HA LYS 27 -4.595 0.989 0.989 201 1HB LYS 27 2HB LYS 27 -6.986 -0.857 -0.857 202 2HB LYS 27 1HB LYS 27 -6.835 0.766 0.766 203 1HG LYS 27 2HG LYS 27 -6.224 -0.207 -0.207 204 2HG LYS 27 1HG LYS 27 -4.684 -0.546 -0.546 205 1HD LYS 27 2HD LYS 27 -5.408 -2.666 -2.666 206 2HD LYS 27 1HD LYS 27 -5.774 -2.712 -2.712 207 1HE LYS 27 2HE LYS 27 -8.081 -2.570 -2.570 208 2HE LYS 27 1HE LYS 27 -7.922 -1.645 -1.645 209 1HZ LYS 27 1HZ LYS 27 -7.625 -3.550 -3.550 210 2HZ LYS 27 2HZ LYS 27 -6.917 -4.396 -4.396 211 H CYS 28 H CYS 28 -5.574 2.455 2.455 212 HA CYS 28 HA CYS 28 -5.859 1.400 1.400 213 1HB CYS 28 2HB CYS 28 -5.760 4.234 4.234 214 2HB CYS 28 1HB CYS 28 -5.953 3.811 3.811 215 H TYR 29 H TYR 29 -7.862 1.028 1.028 216 HA TYR 29 HA TYR 29 -10.177 2.122 2.122 217 1HB TYR 29 2HB TYR 29 -11.181 0.020 0.020 218 2HB TYR 29 1HB TYR 29 -9.502 -0.477 -0.477 219 HD1 TYR 29 HD2 TYR 29 -12.278 0.368 0.368 220 HD2 TYR 29 HD1 TYR 29 -8.345 -1.275 -1.275 221 HE1 TYR 29 HE2 TYR 29 -12.425 -0.525 -0.525 222 HE2 TYR 29 HE1 TYR 29 -8.505 -2.163 -2.163 223 HH TYR 29 HH TYR 29 -9.664 -1.773 -1.773 224 H VAL 30 H VAL 30 -11.699 3.325 3.325 225 HA VAL 30 HA VAL 30 -12.614 4.511 4.511 226 HB VAL 30 HB VAL 30 -11.559 2.185 2.185 227 1HG1 VAL 30 2HG1 VAL 30 -12.504 4.775 4.775 228 2HG1 VAL 30 3HG1 VAL 30 -13.409 3.381 3.381 229 3HG1 VAL 30 1HG1 VAL 30 -11.641 3.458 3.458 230 1HG2 VAL 30 2HG2 VAL 30 -13.650 2.285 2.285 231 2HG2 VAL 30 3HG2 VAL 30 -13.651 1.296 1.296 232 3HG2 VAL 30 1HG2 VAL 30 -14.451 2.886 2.886 233 H LYS 31 H LYS 31 -9.769 3.348 3.348 234 HA LYS 31 HA LYS 31 -9.135 6.006 6.006 235 1HB LYS 31 2HB LYS 31 -8.671 3.536 3.536 236 2HB LYS 31 1HB LYS 31 -7.101 3.884 3.884 237 1HG LYS 31 2HG LYS 31 -6.808 5.848 5.848 238 2HG LYS 31 1HG LYS 31 -8.521 5.997 5.997 239 1HD LYS 31 2HD LYS 31 -8.341 3.774 3.774 240 2HD LYS 31 1HD LYS 31 -6.602 3.911 3.911 241 1HE LYS 31 2HE LYS 31 -7.162 4.870 4.870 242 2HE LYS 31 1HE LYS 31 -6.750 6.211 6.211 243 1HZ LYS 31 1HZ LYS 31 -9.341 6.136 6.136 244 2HZ LYS 31 2HZ LYS 31 -9.384 5.447 5.447 245 H LYS 32 H LYS 32 -9.218 6.585 6.585 246 HA LYS 32 HA LYS 32 -7.317 5.902 5.902 247 1HB LYS 32 2HB LYS 32 -8.211 7.573 7.573 248 2HB LYS 32 1HB LYS 32 -9.271 7.831 7.831 249 1HG LYS 32 2HG LYS 32 -7.504 9.393 9.393 250 2HG LYS 32 1HG LYS 32 -6.606 9.228 9.228 251 1HD LYS 32 2HD LYS 32 -8.108 11.275 11.275 252 2HD LYS 32 1HD LYS 32 -8.378 10.248 10.248 253 1HE LYS 32 2HE LYS 32 -10.440 9.461 9.461 254 2HE LYS 32 1HE LYS 32 -10.005 9.686 9.686 255 1HZ LYS 32 1HZ LYS 32 -11.429 11.459 11.459 256 2HZ LYS 32 2HZ LYS 32 -10.007 12.196 12.196 257 H CYS 33 H CYS 33 -5.333 7.195 7.195 258 HA CYS 33 HA CYS 33 -3.487 7.153 7.153 259 1HB CYS 33 2HB CYS 33 -2.826 6.565 6.565 260 2HB CYS 33 1HB CYS 33 -3.270 8.149 8.149 261 HA PRO 34 HA PRO 34 -4.059 11.282 11.282 262 1HB PRO 34 2HB PRO 34 -1.915 11.510 11.510 263 2HB PRO 34 1HB PRO 34 -3.426 10.759 10.759 264 1HG PRO 34 2HG PRO 34 -0.848 9.476 9.476 265 2HG PRO 34 1HG PRO 34 -2.215 8.806 8.806 266 1HD PRO 34 2HD PRO 34 -1.483 8.276 8.276 267 2HD PRO 34 1HD PRO 34 -2.913 7.698 7.698 268 H ARG 35 H ARG 35 -0.994 10.268 10.268 269 HA ARG 35 HA ARG 35 -0.910 12.291 12.291 270 1HB ARG 35 2HB ARG 35 1.106 13.600 13.600 271 2HB ARG 35 1HB ARG 35 -0.535 14.030 14.030 272 1HG ARG 35 2HG ARG 35 -0.392 12.571 12.571 273 2HG ARG 35 1HG ARG 35 1.235 12.097 12.097 274 1HD ARG 35 2HD ARG 35 0.857 14.071 14.071 275 2HD ARG 35 1HD ARG 35 2.154 14.176 14.176 276 HE ARG 35 HE ARG 35 -0.366 15.722 15.722 277 1HH1 ARG 35 2HH2 ARG 35 2.555 14.802 14.802 278 2HH1 ARG 35 1HH2 ARG 35 2.456 16.138 16.138 279 HH2 ARG 35 1HH ARG 35 0.654 17.703 17.703 280 H ASP 36 H ASP 36 1.004 12.100 12.100 281 HA ASP 36 HA ASP 36 2.066 9.702 9.702 282 1HB ASP 36 2HB ASP 36 2.659 11.146 11.146 283 2HB ASP 36 1HB ASP 36 3.021 12.469 12.469 284 HD1 ASP 36 2HD ASP 36 5.153 12.466 12.466 285 H GLY 37 H GLY 37 3.705 8.442 8.442 286 1HA GLY 37 1HA GLY 37 5.715 8.172 8.172 287 2HA GLY 37 2HA GLY 37 5.522 9.756 9.756 288 H ALA 38 H ALA 38 2.581 9.267 9.267 289 HA ALA 38 HA ALA 38 2.659 8.605 8.605 290 1HB ALA 38 2HB ALA 38 0.515 7.935 7.935 291 2HB ALA 38 3HB ALA 38 0.265 7.899 7.899 292 3HB ALA 38 1HB ALA 38 0.661 9.433 9.433 293 H LYS 39 H LYS 39 3.261 6.873 6.873 294 HA LYS 39 HA LYS 39 3.973 4.455 4.455 295 1HB LYS 39 2HB LYS 39 5.257 5.372 5.372 296 2HB LYS 39 1HB LYS 39 3.878 5.171 5.171 297 1HG LYS 39 2HG LYS 39 4.589 2.706 2.706 298 2HG LYS 39 1HG LYS 39 5.862 3.270 3.270 299 1HD LYS 39 2HD LYS 39 3.004 3.087 3.087 300 2HD LYS 39 1HD LYS 39 4.010 1.654 1.654 301 1HE LYS 39 2HE LYS 39 5.153 4.145 4.145 302 2HE LYS 39 1HE LYS 39 3.954 3.235 3.235 303 1HZ LYS 39 1HZ LYS 39 6.515 2.161 2.161 304 2HZ LYS 39 2HZ LYS 39 6.132 2.379 2.379 305 H CYS 40 H CYS 40 3.048 2.347 2.347 306 HA CYS 40 HA CYS 40 0.584 2.123 2.123 307 1HB CYS 40 2HB CYS 40 -0.471 3.089 3.089 308 2HB CYS 40 1HB CYS 40 0.585 2.302 2.302 309 H GLU 41 H GLU 41 -0.209 -0.225 -0.225 310 HA GLU 41 HA GLU 41 1.956 -1.958 -1.958 311 1HB GLU 41 2HB GLU 41 1.009 -3.346 -3.346 312 2HB GLU 41 1HB GLU 41 2.406 -2.291 -2.291 313 1HG GLU 41 2HG GLU 41 -0.421 -1.273 -1.273 314 2HG GLU 41 1HG GLU 41 0.594 -1.906 -1.906 315 HE2 GLU 41 2HE GLU 41 1.052 1.789 1.789 316 H PHE 42 H PHE 42 1.290 -3.788 -3.788 317 HA PHE 42 HA PHE 42 -1.593 -3.998 -3.998 318 1HB PHE 42 2HB PHE 42 -0.242 -3.773 -3.773 319 2HB PHE 42 1HB PHE 42 0.958 -4.905 -4.905 320 HD1 PHE 42 2HD PHE 42 -2.696 -4.852 -4.852 321 HD2 PHE 42 1HD PHE 42 0.951 -7.018 -7.018 322 HE1 PHE 42 2HE PHE 42 -3.842 -6.713 -6.713 323 HE2 PHE 42 1HE PHE 42 -0.195 -8.880 -8.880 324 HZ PHE 42 HZ PHE 42 -2.578 -8.705 -8.705 325 H ASP 43 H ASP 43 -2.721 -5.578 -5.578 326 HA ASP 43 HA ASP 43 -1.235 -7.622 -7.622 327 1HB ASP 43 2HB ASP 43 -4.250 -7.170 -7.170 328 2HB ASP 43 1HB ASP 43 -3.467 -8.275 -8.275 329 HD2 ASP 43 2HD ASP 43 -1.840 -6.201 -6.201 330 H SER 44 H SER 44 -0.757 -9.551 -9.551 331 HA SER 44 HA SER 44 -2.106 -10.149 -10.149 332 1HB SER 44 2HB SER 44 0.342 -10.964 -10.964 333 2HB SER 44 1HB SER 44 -0.503 -12.363 -12.363 334 HG SER 44 HG SER 44 -0.625 -11.136 -11.136 335 H TYR 45 H TYR 45 -3.128 -10.405 -10.405 336 HA TYR 45 HA TYR 45 -3.965 -13.156 -13.156 337 1HB TYR 45 2HB TYR 45 -5.079 -10.859 -10.859 338 2HB TYR 45 1HB TYR 45 -4.740 -12.497 -12.497 339 HD1 TYR 45 HD1 TYR 45 -1.963 -12.947 -12.947 340 HD2 TYR 45 HD2 TYR 45 -3.819 -9.395 -9.395 341 HE1 TYR 45 HE1 TYR 45 0.264 -12.177 -12.177 342 HE2 TYR 45 HE2 TYR 45 -1.586 -8.637 -8.637 343 HH TYR 45 HH TYR 45 1.266 -10.727 -10.727 344 H LYS 46 H LYS 46 -5.470 -9.909 -9.909 345 HA LYS 46 HA LYS 46 -7.862 -11.335 -11.335 346 1HB LYS 46 2HB LYS 46 -7.821 -8.476 -8.476 347 2HB LYS 46 1HB LYS 46 -9.199 -9.536 -9.536 348 1HG LYS 46 2HG LYS 46 -7.954 -11.064 -11.064 349 2HG LYS 46 1HG LYS 46 -7.109 -9.583 -9.583 350 1HD LYS 46 2HD LYS 46 -9.371 -8.444 -8.444 351 2HD LYS 46 1HD LYS 46 -10.133 -10.004 -10.004 352 1HE LYS 46 2HE LYS 46 -8.773 -10.896 -10.896 353 2HE LYS 46 1HE LYS 46 -8.192 -9.267 -9.267 354 1HZ LYS 46 1HZ LYS 46 -10.290 -8.567 -8.567 355 2HZ LYS 46 2HZ LYS 46 -11.096 -9.711 -9.711 356 H GLY 47 H GLY 47 -5.686 -8.490 -8.490 357 1HA GLY 47 1HA GLY 47 -4.814 -8.229 -8.229 358 2HA GLY 47 2HA GLY 47 -6.399 -8.646 -8.646 359 H LYS 48 H LYS 48 -6.361 -6.717 -6.717 360 HA LYS 48 HA LYS 48 -7.616 -4.561 -4.561 361 1HB LYS 48 2HB LYS 48 -7.105 -5.341 -5.341 362 2HB LYS 48 1HB LYS 48 -7.282 -3.627 -3.627 363 1HG LYS 48 2HG LYS 48 -9.526 -3.852 -3.852 364 2HG LYS 48 1HG LYS 48 -9.317 -5.026 -5.026 365 1HD LYS 48 2HD LYS 48 -10.393 -6.386 -6.386 366 2HD LYS 48 1HD LYS 48 -8.743 -6.662 -6.662 367 1HE LYS 48 2HE LYS 48 -8.957 -4.958 -4.958 368 2HE LYS 48 1HE LYS 48 -10.547 -4.501 -4.501 369 1HZ LYS 48 1HZ LYS 48 -9.830 -6.719 -6.719 370 2HZ LYS 48 2HZ LYS 48 -11.299 -6.058 -6.058 371 H CYS 49 H CYS 49 -6.667 -2.266 -2.266 372 HA CYS 49 HA CYS 49 -3.815 -2.217 -2.217 373 1HB CYS 49 2HB CYS 49 -4.483 -1.615 -1.615 374 2HB CYS 49 1HB CYS 49 -5.883 -0.724 -0.724 375 H TYR 50 H TYR 50 -3.477 -1.816 -1.816 376 HA TYR 50 HA TYR 50 -5.041 0.057 0.057 377 1HB TYR 50 2HB TYR 50 -2.335 -1.365 -1.365 378 2HB TYR 50 1HB TYR 50 -2.896 -0.268 -0.268 379 HD1 TYR 50 HD2 TYR 50 -5.557 -2.064 -2.064 380 HD2 TYR 50 HD1 TYR 50 -2.640 -2.332 -2.332 381 HE1 TYR 50 HE2 TYR 50 -6.871 -3.956 -3.956 382 HE2 TYR 50 HE1 TYR 50 -3.964 -4.223 -4.223 383 HH TYR 50 HH TYR 50 -5.565 -5.732 -5.732 384 H CYS 51 H CYS 51 -4.938 1.916 1.916 385 HA CYS 51 HA CYS 51 -2.372 3.187 3.187 386 1HB CYS 51 2HB CYS 51 -4.807 4.670 4.670 387 2HB CYS 51 1HB CYS 51 -3.290 4.460 4.460 Start of MODEL 20 1 H ALA 1 H ALA 1 2.214 -10.231 -10.231 2 HA ALA 1 HA ALA 1 4.848 -10.437 -10.437 3 1HB ALA 1 2HB ALA 1 3.389 -12.619 -12.619 4 2HB ALA 1 3HB ALA 1 4.052 -11.559 -11.559 5 3HB ALA 1 1HB ALA 1 5.134 -12.272 -12.272 6 H THR 2 H THR 2 2.886 -8.461 -8.461 7 HA THR 2 HA THR 2 1.883 -7.413 -7.413 8 HB THR 2 HB THR 2 2.538 -5.674 -5.674 9 HG1 THR 2 1HG THR 2 0.770 -6.871 -6.871 10 1HG2 THR 2 1HG2 THR 2 0.951 -5.079 -5.079 11 2HG2 THR 2 2HG2 THR 2 -0.160 -6.272 -6.272 12 3HG2 THR 2 3HG2 THR 2 0.322 -4.834 -4.834 13 H TYR 3 H TYR 3 2.703 -6.102 -6.102 14 HA TYR 3 HA TYR 3 5.558 -5.512 -5.512 15 1HB TYR 3 2HB TYR 3 3.489 -5.632 -5.632 16 2HB TYR 3 1HB TYR 3 5.139 -5.110 -5.110 17 HD1 TYR 3 HD2 TYR 3 2.970 -7.985 -7.985 18 HD2 TYR 3 HD1 TYR 3 6.989 -6.707 -6.707 19 HE1 TYR 3 HE2 TYR 3 3.683 -10.400 -10.400 20 HE2 TYR 3 HE1 TYR 3 7.688 -9.127 -9.127 21 HH TYR 3 HH TYR 3 6.823 -11.381 -11.381 22 H ASN 4 H ASN 4 6.269 -3.459 -3.459 23 HA ASN 4 HA ASN 4 4.261 -1.393 -1.393 24 1HB ASN 4 2HB ASN 4 7.144 -0.859 -0.859 25 2HB ASN 4 1HB ASN 4 5.688 -0.177 -0.177 26 1HD2 ASN 4 1HD2 ASN 4 4.236 -2.565 -2.565 27 2HD2 ASN 4 2HD2 ASN 4 4.961 -3.483 -3.483 28 H GLY 5 H GLY 5 4.703 0.674 0.674 29 1HA GLY 5 1HA GLY 5 6.948 0.911 0.911 30 2HA GLY 5 2HA GLY 5 5.511 0.402 0.402 31 H LYS 6 H LYS 6 4.671 2.164 2.164 32 HA LYS 6 HA LYS 6 3.995 4.453 4.453 33 1HB LYS 6 2HB LYS 6 5.485 4.796 4.796 34 2HB LYS 6 1HB LYS 6 4.950 6.060 6.060 35 1HG LYS 6 2HG LYS 6 6.468 5.257 5.257 36 2HG LYS 6 1HG LYS 6 6.918 3.866 3.866 37 1HD LYS 6 2HD LYS 6 7.531 5.822 5.822 38 2HD LYS 6 1HD LYS 6 7.736 6.740 6.740 39 1HE LYS 6 2HE LYS 6 9.151 4.661 4.661 40 2HE LYS 6 1HE LYS 6 9.222 4.247 4.247 41 1HZ LYS 6 1HZ LYS 6 9.948 6.967 6.967 42 2HZ LYS 6 2HZ LYS 6 11.048 5.766 5.766 43 H CYS 7 H CYS 7 2.371 5.881 5.881 44 HA CYS 7 HA CYS 7 0.942 4.408 4.408 45 1HB CYS 7 2HB CYS 7 -1.195 5.192 5.192 46 2HB CYS 7 1HB CYS 7 -0.346 3.830 3.830 47 H TYR 8 H TYR 8 -0.726 5.971 5.971 48 HA TYR 8 HA TYR 8 0.283 8.729 8.729 49 1HB TYR 8 2HB TYR 8 -0.476 6.942 6.942 50 2HB TYR 8 1HB TYR 8 -0.031 8.631 8.631 51 HD1 TYR 8 HD2 TYR 8 1.357 5.460 5.460 52 HD2 TYR 8 HD1 TYR 8 2.153 9.115 9.115 53 HE1 TYR 8 HE2 TYR 8 3.802 4.802 4.802 54 HE2 TYR 8 HE1 TYR 8 4.595 8.444 8.444 55 HH TYR 8 HH TYR 8 5.780 5.429 5.429 56 H LYS 9 H LYS 9 -1.281 10.314 10.314 57 HA LYS 9 HA LYS 9 -3.993 9.405 9.405 58 1HB LYS 9 2HB LYS 9 -4.461 11.724 11.724 59 2HB LYS 9 1HB LYS 9 -3.098 11.108 11.108 60 1HG LYS 9 2HG LYS 9 -2.210 13.144 13.144 61 2HG LYS 9 1HG LYS 9 -1.674 12.131 12.131 62 1HD LYS 9 2HD LYS 9 -2.666 13.792 13.792 63 2HD LYS 9 1HD LYS 9 -4.093 12.808 12.808 64 1HE LYS 9 2HE LYS 9 -5.093 14.419 14.419 65 2HE LYS 9 1HE LYS 9 -3.668 14.625 14.625 66 1HZ LYS 9 1HZ LYS 9 -2.802 15.846 15.846 67 2HZ LYS 9 2HZ LYS 9 -4.389 16.057 16.057 68 H LYS 10 H LYS 10 -2.087 11.479 11.479 69 HA LYS 10 HA LYS 10 -4.175 12.146 12.146 70 1HB LYS 10 2HB LYS 10 -1.366 12.462 12.462 71 2HB LYS 10 1HB LYS 10 -1.721 11.750 11.750 72 1HG LYS 10 2HG LYS 10 -3.663 13.555 13.555 73 2HG LYS 10 1HG LYS 10 -2.732 14.363 14.363 74 1HD LYS 10 2HD LYS 10 -0.853 13.587 13.587 75 2HD LYS 10 1HD LYS 10 -2.232 14.248 14.248 76 1HE LYS 10 2HE LYS 10 -1.989 16.377 16.377 77 2HE LYS 10 1HE LYS 10 -1.249 15.763 15.763 78 1HZ LYS 10 1HZ LYS 10 0.810 15.572 15.572 79 2HZ LYS 10 2HZ LYS 10 0.194 15.501 15.501 80 H ASP 11 H ASP 11 -2.498 9.088 9.088 81 HA ASP 11 HA ASP 11 -3.832 8.072 8.072 82 1HB ASP 11 2HB ASP 11 -1.234 7.585 7.585 83 2HB ASP 11 1HB ASP 11 -2.122 6.080 6.080 84 HD2 ASP 11 2HD ASP 11 -1.008 5.189 5.189 85 H ASN 12 H ASN 12 -3.872 8.239 8.239 86 HA ASN 12 HA ASN 12 -4.830 7.114 7.114 87 1HB ASN 12 2HB ASN 12 -6.890 7.928 7.928 88 2HB ASN 12 1HB ASN 12 -6.832 6.747 6.747 89 1HD2 ASN 12 2HD2 ASN 12 -8.054 5.702 5.702 90 2HD2 ASN 12 1HD2 ASN 12 -7.066 7.092 7.092 91 H ILE 13 H ILE 13 -2.824 5.525 5.525 92 HA ILE 13 HA ILE 13 -3.999 2.858 2.858 93 HB ILE 13 HB ILE 13 -2.246 2.121 2.121 94 1HG1 ILE 13 2HG1 ILE 13 -1.464 4.194 4.194 95 2HG1 ILE 13 3HG1 ILE 13 -1.593 5.036 5.036 96 1HG2 ILE 13 2HG2 ILE 13 -4.722 3.221 3.221 97 2HG2 ILE 13 3HG2 ILE 13 -3.668 4.084 4.084 98 3HG2 ILE 13 1HG2 ILE 13 -3.731 2.305 2.305 99 1HD1 ILE 13 1HD1 ILE 13 -0.291 2.484 2.484 100 2HD1 ILE 13 2HD1 ILE 13 0.527 3.344 3.344 101 3HD1 ILE 13 3HD1 ILE 13 0.350 4.123 4.123 102 H CYS 14 H CYS 14 -2.165 1.188 1.188 103 HA CYS 14 HA CYS 14 -0.461 2.453 2.453 104 1HB CYS 14 2HB CYS 14 -2.460 0.406 0.406 105 2HB CYS 14 1HB CYS 14 -0.889 -0.259 -0.259 106 H LYS 15 H LYS 15 1.704 2.167 2.167 107 HA LYS 15 HA LYS 15 2.405 -0.064 -0.064 108 1HB LYS 15 2HB LYS 15 3.261 2.793 2.793 109 2HB LYS 15 1HB LYS 15 4.482 1.603 1.603 110 1HG LYS 15 2HG LYS 15 2.436 0.695 0.695 111 2HG LYS 15 1HG LYS 15 2.025 2.398 2.398 112 1HD LYS 15 2HD LYS 15 4.801 2.419 2.419 113 2HD LYS 15 1HD LYS 15 4.259 1.051 1.051 114 1HE LYS 15 2HE LYS 15 2.333 2.846 2.846 115 2HE LYS 15 1HE LYS 15 3.626 3.968 3.968 116 1HZ LYS 15 1HZ LYS 15 4.644 1.819 1.819 117 2HZ LYS 15 2HZ LYS 15 3.365 2.467 2.467 118 H TYR 16 H TYR 16 4.309 -1.276 -1.276 119 HA TYR 16 HA TYR 16 5.798 -0.657 -0.657 120 1HB TYR 16 2HB TYR 16 5.031 -3.050 -3.050 121 2HB TYR 16 1HB TYR 16 3.969 -1.685 -1.685 122 HD1 TYR 16 HD2 TYR 16 4.553 -3.858 -3.858 123 HD2 TYR 16 HD1 TYR 16 1.759 -2.376 -2.376 124 HE1 TYR 16 HE2 TYR 16 2.665 -5.072 -5.072 125 HE2 TYR 16 HE1 TYR 16 -0.119 -3.594 -3.594 126 HH TYR 16 HH TYR 16 -0.201 -5.719 -5.719 127 H LYS 17 H LYS 17 7.003 -3.041 -3.041 128 HA LYS 17 HA LYS 17 8.572 -3.427 -3.427 129 1HB LYS 17 2HB LYS 17 8.990 -3.630 -3.630 130 2HB LYS 17 1HB LYS 17 8.957 -5.310 -5.310 131 1HG LYS 17 2HG LYS 17 10.736 -4.987 -4.987 132 2HG LYS 17 1HG LYS 17 10.596 -3.242 -3.242 133 1HD LYS 17 2HD LYS 17 12.464 -3.615 -3.615 134 2HD LYS 17 1HD LYS 17 11.177 -3.543 -3.543 135 1HE LYS 17 2HE LYS 17 11.005 -6.064 -6.064 136 2HE LYS 17 1HE LYS 17 12.357 -6.096 -6.096 137 1HZ LYS 17 1HZ LYS 17 13.780 -5.188 -5.188 138 2HZ LYS 17 2HZ LYS 17 12.545 -4.846 -4.846 139 H ALA 18 H ALA 18 5.653 -4.799 -4.799 140 HA ALA 18 HA ALA 18 4.304 -6.302 -6.302 141 1HB ALA 18 3HB ALA 18 5.658 -5.715 -5.715 142 2HB ALA 18 1HB ALA 18 6.515 -7.244 -7.244 143 3HB ALA 18 2HB ALA 18 4.756 -7.250 -7.250 144 H GLN 19 H GLN 19 4.922 -8.995 -8.995 145 HA GLN 19 HA GLN 19 5.772 -9.964 -9.964 146 1HB GLN 19 2HB GLN 19 3.662 -10.672 -10.672 147 2HB GLN 19 1HB GLN 19 4.832 -11.882 -11.882 148 1HG GLN 19 2HG GLN 19 4.359 -11.328 -11.328 149 2HG GLN 19 1HG GLN 19 3.257 -12.363 -12.363 150 1HE2 GLN 19 2HE2 GLN 19 5.880 -14.778 -14.778 151 2HE2 GLN 19 1HE2 GLN 19 4.681 -13.809 -13.809 152 H SER 20 H SER 20 6.258 -10.967 -10.967 153 HA SER 20 HA SER 20 8.257 -12.660 -12.660 154 1HB SER 20 2HB SER 20 7.293 -10.899 -10.899 155 2HB SER 20 1HB SER 20 9.044 -10.903 -10.903 156 HG SER 20 HG SER 20 7.624 -13.388 -13.388 157 H GLY 21 H GLY 21 8.419 -9.146 -9.146 158 1HA GLY 21 1HA GLY 21 10.117 -8.461 -8.461 159 2HA GLY 21 2HA GLY 21 11.271 -9.443 -9.443 160 H LYS 22 H LYS 22 9.540 -8.443 -8.443 161 HA LYS 22 HA LYS 22 11.374 -6.318 -6.318 162 1HB LYS 22 2HB LYS 22 9.291 -7.861 -7.861 163 2HB LYS 22 1HB LYS 22 9.885 -6.347 -6.347 164 1HG LYS 22 2HG LYS 22 11.811 -7.333 -7.333 165 2HG LYS 22 1HG LYS 22 12.151 -7.883 -7.883 166 1HD LYS 22 2HD LYS 22 10.281 -9.717 -9.717 167 2HD LYS 22 1HD LYS 22 10.721 -9.330 -9.330 168 1HE LYS 22 2HE LYS 22 12.119 -11.185 -11.185 169 2HE LYS 22 1HE LYS 22 13.145 -9.770 -9.770 170 1HZ LYS 22 1HZ LYS 22 13.016 -9.481 -9.481 171 2HZ LYS 22 2HZ LYS 22 11.945 -10.697 -10.697 172 H THR 23 H THR 23 8.199 -5.867 -5.867 173 HA THR 23 HA THR 23 7.318 -4.056 -4.056 174 HB THR 23 HB THR 23 8.149 -3.000 -3.000 175 HG1 THR 23 1HG THR 23 9.183 -2.802 -2.802 176 1HG2 THR 23 3HG2 THR 23 6.264 -1.745 -1.745 177 2HG2 THR 23 1HG2 THR 23 7.327 -1.543 -1.543 178 3HG2 THR 23 2HG2 THR 23 7.759 -0.789 -0.789 179 H ALA 24 H ALA 24 5.190 -3.030 -3.030 180 HA ALA 24 HA ALA 24 3.757 -3.962 -3.962 181 1HB ALA 24 3HB ALA 24 3.849 -5.734 -5.734 182 2HB ALA 24 1HB ALA 24 2.211 -5.363 -5.363 183 3HB ALA 24 2HB ALA 24 3.406 -6.099 -6.099 184 H ILE 25 H ILE 25 1.458 -3.246 -3.246 185 HA ILE 25 HA ILE 25 1.132 -1.208 -1.208 186 HB ILE 25 HB ILE 25 -0.097 -0.955 -0.955 187 1HG1 ILE 25 2HG1 ILE 25 2.722 -0.074 -0.074 188 2HG1 ILE 25 3HG1 ILE 25 2.317 -1.419 -1.419 189 1HG2 ILE 25 2HG2 ILE 25 0.173 0.654 0.654 190 2HG2 ILE 25 3HG2 ILE 25 0.753 1.515 1.515 191 3HG2 ILE 25 1HG2 ILE 25 -0.901 0.860 0.860 192 1HD1 ILE 25 3HD1 ILE 25 0.918 0.263 0.263 193 2HD1 ILE 25 1HD1 ILE 25 1.744 1.534 1.534 194 3HD1 ILE 25 2HD1 ILE 25 2.688 0.425 0.425 195 H CYS 26 H CYS 26 -1.113 -0.785 -0.785 196 HA CYS 26 HA CYS 26 -3.024 -2.802 -2.802 197 1HB CYS 26 2HB CYS 26 -3.498 -3.578 -3.578 198 2HB CYS 26 1HB CYS 26 -1.811 -3.871 -3.871 199 H LYS 27 H LYS 27 -4.469 -1.247 -1.247 200 HA LYS 27 HA LYS 27 -4.818 1.292 1.292 201 1HB LYS 27 2HB LYS 27 -7.167 -0.531 -0.531 202 2HB LYS 27 1HB LYS 27 -7.017 1.176 1.176 203 1HG LYS 27 2HG LYS 27 -6.278 0.553 0.553 204 2HG LYS 27 1HG LYS 27 -4.782 0.078 0.078 205 1HD LYS 27 2HD LYS 27 -5.242 -1.997 -1.997 206 2HD LYS 27 1HD LYS 27 -6.333 -2.136 -2.136 207 1HE LYS 27 2HE LYS 27 -8.233 -1.841 -1.841 208 2HE LYS 27 1HE LYS 27 -7.442 -0.737 -0.737 209 1HZ LYS 27 1HZ LYS 27 -7.162 -2.470 -2.470 210 2HZ LYS 27 2HZ LYS 27 -6.196 -3.216 -3.216 211 H CYS 28 H CYS 28 -5.922 2.511 2.511 212 HA CYS 28 HA CYS 28 -6.328 1.040 1.040 213 1HB CYS 28 2HB CYS 28 -5.941 3.942 3.942 214 2HB CYS 28 1HB CYS 28 -6.608 3.471 3.471 215 H TYR 29 H TYR 29 -8.380 0.500 0.500 216 HA TYR 29 HA TYR 29 -10.608 1.883 1.883 217 1HB TYR 29 2HB TYR 29 -11.692 -0.262 -0.262 218 2HB TYR 29 1HB TYR 29 -10.024 -0.713 -0.713 219 HD1 TYR 29 HD1 TYR 29 -8.577 -1.372 -1.372 220 HD2 TYR 29 HD2 TYR 29 -12.837 -1.027 -1.027 221 HE1 TYR 29 HE1 TYR 29 -8.605 -2.800 -2.800 222 HE2 TYR 29 HE2 TYR 29 -12.850 -2.455 -2.455 223 HH TYR 29 HH TYR 29 -9.818 -3.497 -3.497 224 H VAL 30 H VAL 30 -8.875 2.065 2.065 225 HA VAL 30 HA VAL 30 -11.293 2.511 2.511 226 HB VAL 30 HB VAL 30 -8.636 1.867 1.867 227 1HG1 VAL 30 1HG1 VAL 30 -11.273 2.357 2.357 228 2HG1 VAL 30 2HG1 VAL 30 -10.914 0.642 0.642 229 3HG1 VAL 30 3HG1 VAL 30 -9.833 1.908 1.908 230 1HG2 VAL 30 1HG2 VAL 30 -10.348 -0.001 -0.001 231 2HG2 VAL 30 2HG2 VAL 30 -8.604 -0.061 -0.061 232 3HG2 VAL 30 3HG2 VAL 30 -9.780 -0.578 -0.578 233 H LYS 31 H LYS 31 -9.206 3.578 3.578 234 HA LYS 31 HA LYS 31 -9.585 6.245 6.245 235 1HB LYS 31 2HB LYS 31 -8.102 4.573 4.573 236 2HB LYS 31 1HB LYS 31 -7.127 5.963 5.963 237 1HG LYS 31 2HG LYS 31 -8.339 7.014 7.014 238 2HG LYS 31 1HG LYS 31 -9.534 7.206 7.206 239 1HD LYS 31 2HD LYS 31 -9.876 4.571 4.571 240 2HD LYS 31 1HD LYS 31 -9.751 5.699 5.699 241 1HE LYS 31 2HE LYS 31 -11.580 6.229 6.229 242 2HE LYS 31 1HE LYS 31 -12.115 5.299 5.299 243 1HZ LYS 31 1HZ LYS 31 -12.640 7.673 7.673 244 2HZ LYS 31 2HZ LYS 31 -11.618 7.212 7.212 245 H LYS 32 H LYS 32 -9.243 6.963 6.963 246 HA LYS 32 HA LYS 32 -7.294 6.360 6.360 247 1HB LYS 32 2HB LYS 32 -7.496 8.814 8.814 248 2HB LYS 32 1HB LYS 32 -8.938 7.819 7.819 249 1HG LYS 32 2HG LYS 32 -8.753 8.943 8.943 250 2HG LYS 32 1HG LYS 32 -8.418 10.248 10.248 251 1HD LYS 32 2HD LYS 32 -10.829 10.156 10.156 252 2HD LYS 32 1HD LYS 32 -10.512 9.681 9.681 253 1HE LYS 32 2HE LYS 32 -10.546 7.240 7.240 254 2HE LYS 32 1HE LYS 32 -11.103 7.826 7.826 255 1HZ LYS 32 1HZ LYS 32 -12.925 8.988 8.988 256 2HZ LYS 32 2HZ LYS 32 -12.515 7.974 7.974 257 H CYS 33 H CYS 33 -5.189 7.230 7.230 258 HA CYS 33 HA CYS 33 -3.453 7.310 7.310 259 1HB CYS 33 2HB CYS 33 -2.519 6.672 6.672 260 2HB CYS 33 1HB CYS 33 -3.229 8.007 8.007 261 HA PRO 34 HA PRO 34 -3.834 11.473 11.473 262 1HB PRO 34 2HB PRO 34 -1.585 11.721 11.721 263 2HB PRO 34 1HB PRO 34 -3.064 10.982 10.982 264 1HG PRO 34 2HG PRO 34 -0.537 9.681 9.681 265 2HG PRO 34 1HG PRO 34 -1.847 9.028 9.028 266 1HD PRO 34 2HD PRO 34 -1.292 8.454 8.454 267 2HD PRO 34 1HD PRO 34 -2.666 7.894 7.894 268 H ARG 35 H ARG 35 -0.722 10.498 10.498 269 HA ARG 35 HA ARG 35 -0.805 12.537 12.537 270 1HB ARG 35 2HB ARG 35 1.161 13.900 13.900 271 2HB ARG 35 1HB ARG 35 -0.282 14.082 14.082 272 1HG ARG 35 2HG ARG 35 0.677 12.183 12.183 273 2HG ARG 35 1HG ARG 35 2.184 12.406 12.406 274 1HD ARG 35 2HD ARG 35 1.129 14.997 14.997 275 2HD ARG 35 1HD ARG 35 1.239 13.914 13.914 276 HE ARG 35 HE ARG 35 3.489 14.918 14.918 277 1HH1 ARG 35 2HH2 ARG 35 2.430 12.631 12.631 278 2HH1 ARG 35 1HH2 ARG 35 4.029 12.362 12.362 279 HH2 ARG 35 1HH ARG 35 5.877 13.508 13.508 280 H ASP 36 H ASP 36 0.791 12.146 12.146 281 HA ASP 36 HA ASP 36 1.773 9.758 9.758 282 1HB ASP 36 2HB ASP 36 2.239 11.137 11.137 283 2HB ASP 36 1HB ASP 36 2.696 12.487 12.487 284 HD2 ASP 36 2HD ASP 36 5.876 11.850 11.850 285 H GLY 37 H GLY 37 3.464 8.435 8.435 286 1HA GLY 37 1HA GLY 37 5.548 8.037 8.037 287 2HA GLY 37 2HA GLY 37 5.589 9.665 9.665 288 H ALA 38 H ALA 38 2.632 9.294 9.294 289 HA ALA 38 HA ALA 38 3.000 8.861 8.861 290 1HB ALA 38 2HB ALA 38 0.645 8.210 8.210 291 2HB ALA 38 3HB ALA 38 0.552 8.115 8.115 292 3HB ALA 38 1HB ALA 38 0.907 9.670 9.670 293 H LYS 39 H LYS 39 3.713 7.207 7.207 294 HA LYS 39 HA LYS 39 4.320 4.714 4.714 295 1HB LYS 39 2HB LYS 39 5.557 5.767 5.767 296 2HB LYS 39 1HB LYS 39 4.175 5.518 5.518 297 1HG LYS 39 2HG LYS 39 4.983 3.060 3.060 298 2HG LYS 39 1HG LYS 39 6.254 3.697 3.697 299 1HD LYS 39 2HD LYS 39 3.400 3.311 3.311 300 2HD LYS 39 1HD LYS 39 4.604 2.042 2.042 301 1HE LYS 39 2HE LYS 39 5.854 3.149 3.149 302 2HE LYS 39 1HE LYS 39 5.411 4.741 4.741 303 1HZ LYS 39 1HZ LYS 39 4.343 3.997 3.997 304 2HZ LYS 39 2HZ LYS 39 3.305 4.575 4.575 305 H CYS 40 H CYS 40 3.401 2.616 2.616 306 HA CYS 40 HA CYS 40 0.858 2.535 2.535 307 1HB CYS 40 2HB CYS 40 -0.098 1.361 1.361 308 2HB CYS 40 1HB CYS 40 -0.226 3.093 3.093 309 H GLU 41 H GLU 41 0.000 0.063 0.063 310 HA GLU 41 HA GLU 41 2.294 -1.679 -1.679 311 1HB GLU 41 2HB GLU 41 0.973 -2.828 -2.828 312 2HB GLU 41 1HB GLU 41 2.456 -1.901 -1.901 313 1HG GLU 41 2HG GLU 41 -0.303 -0.605 -0.605 314 2HG GLU 41 1HG GLU 41 0.547 -1.143 -1.143 315 HE2 GLU 41 2HE GLU 41 0.501 1.508 1.508 316 H PHE 42 H PHE 42 1.786 -3.518 -3.518 317 HA PHE 42 HA PHE 42 -1.042 -3.877 -3.877 318 1HB PHE 42 2HB PHE 42 0.416 -3.672 -3.672 319 2HB PHE 42 1HB PHE 42 1.663 -4.655 -4.655 320 HD1 PHE 42 2HD PHE 42 -1.696 -4.784 -4.784 321 HD2 PHE 42 1HD PHE 42 1.702 -7.002 -7.002 322 HE1 PHE 42 2HE PHE 42 -2.572 -6.804 -6.804 323 HE2 PHE 42 1HE PHE 42 0.825 -9.021 -9.021 324 HZ PHE 42 HZ PHE 42 -1.301 -8.898 -8.898 325 H ASP 43 H ASP 43 -2.170 -5.746 -5.746 326 HA ASP 43 HA ASP 43 -0.949 -7.415 -7.415 327 1HB ASP 43 2HB ASP 43 -3.668 -7.449 -7.449 328 2HB ASP 43 1HB ASP 43 -3.219 -8.625 -8.625 329 HD2 ASP 43 2HD ASP 43 -4.950 -7.399 -7.399 330 H SER 44 H SER 44 -0.081 -9.491 -9.491 331 HA SER 44 HA SER 44 0.035 -10.316 -10.316 332 1HB SER 44 2HB SER 44 1.843 -11.710 -11.710 333 2HB SER 44 1HB SER 44 2.029 -10.269 -10.269 334 HG SER 44 HG SER 44 0.884 -12.799 -12.799 335 H TYR 45 H TYR 45 -2.521 -10.620 -10.620 336 HA TYR 45 HA TYR 45 -3.126 -13.255 -13.255 337 1HB TYR 45 2HB TYR 45 -4.220 -13.540 -13.540 338 2HB TYR 45 1HB TYR 45 -2.489 -13.778 -13.778 339 HD1 TYR 45 HD2 TYR 45 -5.028 -11.145 -11.145 340 HD2 TYR 45 HD1 TYR 45 -1.033 -12.561 -12.561 341 HE1 TYR 45 HE2 TYR 45 -4.644 -9.359 -9.359 342 HE2 TYR 45 HE1 TYR 45 -0.662 -10.769 -10.769 343 HH TYR 45 HH TYR 45 -3.186 -9.054 -9.054 344 H LYS 46 H LYS 46 -4.022 -10.054 -10.054 345 HA LYS 46 HA LYS 46 -6.830 -10.542 -10.542 346 1HB LYS 46 2HB LYS 46 -5.201 -8.600 -8.600 347 2HB LYS 46 1HB LYS 46 -6.452 -7.822 -7.822 348 1HG LYS 46 2HG LYS 46 -7.907 -9.885 -9.885 349 2HG LYS 46 1HG LYS 46 -6.717 -9.700 -9.700 350 1HD LYS 46 2HD LYS 46 -7.407 -7.516 -7.516 351 2HD LYS 46 1HD LYS 46 -8.037 -7.207 -7.207 352 1HE LYS 46 2HE LYS 46 -10.034 -7.499 -7.499 353 2HE LYS 46 1HE LYS 46 -9.766 -9.138 -9.138 354 1HZ LYS 46 1HZ LYS 46 -9.701 -8.137 -8.137 355 2HZ LYS 46 2HZ LYS 46 -9.858 -9.675 -9.675 356 H GLY 47 H GLY 47 -4.015 -8.991 -8.991 357 1HA GLY 47 1HA GLY 47 -3.731 -8.397 -8.397 358 2HA GLY 47 2HA GLY 47 -5.333 -9.001 -9.001 359 H LYS 48 H LYS 48 -5.189 -6.775 -6.775 360 HA LYS 48 HA LYS 48 -6.336 -4.714 -4.714 361 1HB LYS 48 2HB LYS 48 -6.815 -5.544 -5.544 362 2HB LYS 48 1HB LYS 48 -7.091 -3.873 -3.873 363 1HG LYS 48 2HG LYS 48 -9.179 -4.707 -4.707 364 2HG LYS 48 1HG LYS 48 -8.386 -5.013 -5.013 365 1HD LYS 48 2HD LYS 48 -8.920 -7.204 -7.204 366 2HD LYS 48 1HD LYS 48 -7.734 -7.276 -7.276 367 1HE LYS 48 2HE LYS 48 -9.380 -7.618 -7.618 368 2HE LYS 48 1HE LYS 48 -10.105 -6.078 -6.078 369 1HZ LYS 48 1HZ LYS 48 -10.949 -8.702 -8.702 370 2HZ LYS 48 2HZ LYS 48 -11.786 -7.307 -7.307 371 H CYS 49 H CYS 49 -6.008 -2.433 -2.433 372 HA CYS 49 HA CYS 49 -3.128 -2.310 -2.310 373 1HB CYS 49 2HB CYS 49 -3.860 0.178 0.178 374 2HB CYS 49 1HB CYS 49 -2.800 -1.029 -1.029 375 H TYR 50 H TYR 50 -3.369 -2.193 -2.193 376 HA TYR 50 HA TYR 50 -5.406 -0.691 -0.691 377 1HB TYR 50 2HB TYR 50 -2.740 -2.014 -2.014 378 2HB TYR 50 1HB TYR 50 -3.452 -0.974 -0.974 379 HD1 TYR 50 HD2 TYR 50 -5.898 -2.636 -2.636 380 HD2 TYR 50 HD1 TYR 50 -3.397 -3.127 -3.127 381 HE1 TYR 50 HE2 TYR 50 -7.355 -4.562 -4.562 382 HE2 TYR 50 HE1 TYR 50 -4.863 -5.051 -5.051 383 HH TYR 50 HH TYR 50 -6.371 -6.661 -6.661 384 H CYS 51 H CYS 51 -4.884 1.250 1.250 385 HA CYS 51 HA CYS 51 -2.636 2.825 2.825 386 1HB CYS 51 2HB CYS 51 -4.987 3.984 3.984 387 2HB CYS 51 1HB CYS 51 -3.276 4.282 4.282 Start of MODEL 21 1 H ALA 1 H ALA 1 2.396 -12.183 -12.183 2 HA ALA 1 HA ALA 1 4.115 -11.081 -11.081 3 1HB ALA 1 1HB ALA 1 1.729 -12.320 -12.320 4 2HB ALA 1 2HB ALA 1 3.297 -12.004 -12.004 5 3HB ALA 1 3HB ALA 1 3.195 -13.147 -13.147 6 H THR 2 H THR 2 2.915 -8.805 -8.805 7 HA THR 2 HA THR 2 1.607 -7.399 -7.399 8 HB THR 2 HB THR 2 2.706 -6.040 -6.040 9 HG1 THR 2 1HG THR 2 0.485 -7.956 -7.956 10 1HG2 THR 2 1HG2 THR 2 0.824 -5.314 -5.314 11 2HG2 THR 2 2HG2 THR 2 -0.211 -6.146 -6.146 12 3HG2 THR 2 3HG2 THR 2 0.781 -4.757 -4.757 13 H TYR 3 H TYR 3 2.422 -5.861 -5.861 14 HA TYR 3 HA TYR 3 5.355 -5.688 -5.688 15 1HB TYR 3 2HB TYR 3 3.284 -5.060 -5.060 16 2HB TYR 3 1HB TYR 3 5.005 -5.289 -5.289 17 HD1 TYR 3 HD2 TYR 3 1.808 -7.003 -7.003 18 HD2 TYR 3 HD1 TYR 3 5.969 -7.503 -7.503 19 HE1 TYR 3 HE2 TYR 3 1.419 -9.469 -9.469 20 HE2 TYR 3 HE1 TYR 3 5.565 -9.967 -9.967 21 HH TYR 3 HH TYR 3 4.103 -11.544 -11.544 22 H ASN 4 H ASN 4 6.212 -3.795 -3.795 23 HA ASN 4 HA ASN 4 4.505 -1.565 -1.565 24 1HB ASN 4 2HB ASN 4 7.520 -1.336 -1.336 25 2HB ASN 4 1HB ASN 4 6.318 -0.616 -0.616 26 1HD2 ASN 4 2HD2 ASN 4 5.615 -4.013 -4.013 27 2HD2 ASN 4 1HD2 ASN 4 4.738 -2.909 -2.909 28 H GLY 5 H GLY 5 5.135 0.668 0.668 29 1HA GLY 5 1HA GLY 5 6.905 1.135 1.135 30 2HA GLY 5 2HA GLY 5 5.483 0.487 0.487 31 H LYS 6 H LYS 6 5.104 2.560 2.560 32 HA LYS 6 HA LYS 6 3.925 4.501 4.501 33 1HB LYS 6 2HB LYS 6 5.614 5.089 5.089 34 2HB LYS 6 1HB LYS 6 4.716 6.289 6.289 35 1HG LYS 6 2HG LYS 6 6.892 6.406 6.406 36 2HG LYS 6 1HG LYS 6 6.002 5.438 5.438 37 1HD LYS 6 2HD LYS 6 7.253 3.568 3.568 38 2HD LYS 6 1HD LYS 6 7.195 3.801 3.801 39 1HE LYS 6 2HE LYS 6 9.001 5.392 5.392 40 2HE LYS 6 1HE LYS 6 9.523 3.990 3.990 41 1HZ LYS 6 1HZ LYS 6 8.635 5.332 5.332 42 2HZ LYS 6 2HZ LYS 6 8.739 6.633 6.633 43 H CYS 7 H CYS 7 2.344 6.010 6.010 44 HA CYS 7 HA CYS 7 1.038 4.494 4.494 45 1HB CYS 7 2HB CYS 7 -1.167 5.255 5.255 46 2HB CYS 7 1HB CYS 7 -0.342 3.851 3.851 47 H TYR 8 H TYR 8 -0.697 6.035 6.035 48 HA TYR 8 HA TYR 8 0.260 8.809 8.809 49 1HB TYR 8 2HB TYR 8 -0.457 7.051 7.051 50 2HB TYR 8 1HB TYR 8 0.012 8.736 8.736 51 HD1 TYR 8 HD2 TYR 8 1.318 5.488 5.488 52 HD2 TYR 8 HD1 TYR 8 2.228 9.235 9.235 53 HE1 TYR 8 HE2 TYR 8 3.758 4.803 4.803 54 HE2 TYR 8 HE1 TYR 8 4.665 8.537 8.537 55 HH TYR 8 HH TYR 8 6.182 6.905 6.905 56 H LYS 9 H LYS 9 -1.333 10.376 10.376 57 HA LYS 9 HA LYS 9 -4.029 9.410 9.410 58 1HB LYS 9 2HB LYS 9 -4.555 11.694 11.694 59 2HB LYS 9 1HB LYS 9 -3.137 11.158 11.158 60 1HG LYS 9 2HG LYS 9 -1.684 12.288 12.288 61 2HG LYS 9 1HG LYS 9 -3.133 12.891 12.891 62 1HD LYS 9 2HD LYS 9 -2.802 13.418 13.418 63 2HD LYS 9 1HD LYS 9 -1.810 14.341 14.341 64 1HE LYS 9 2HE LYS 9 -4.235 14.585 14.585 65 2HE LYS 9 1HE LYS 9 -4.778 14.415 14.415 66 1HZ LYS 9 1HZ LYS 9 -2.569 16.273 16.273 67 2HZ LYS 9 2HZ LYS 9 -4.031 16.747 16.747 68 H LYS 10 H LYS 10 -2.203 11.607 11.607 69 HA LYS 10 HA LYS 10 -4.268 12.180 12.180 70 1HB LYS 10 2HB LYS 10 -1.509 12.629 12.629 71 2HB LYS 10 1HB LYS 10 -1.741 11.801 11.801 72 1HG LYS 10 2HG LYS 10 -3.414 13.437 13.437 73 2HG LYS 10 1HG LYS 10 -3.442 14.182 14.182 74 1HD LYS 10 2HD LYS 10 -0.703 14.108 14.108 75 2HD LYS 10 1HD LYS 10 -1.746 14.841 14.841 76 1HE LYS 10 2HE LYS 10 -2.602 16.458 16.458 77 2HE LYS 10 1HE LYS 10 -1.697 15.673 15.673 78 1HZ LYS 10 1HZ LYS 10 -0.653 17.298 17.298 79 2HZ LYS 10 2HZ LYS 10 -0.288 17.390 17.390 80 H ASP 11 H ASP 11 -2.385 9.194 9.194 81 HA ASP 11 HA ASP 11 -3.713 8.134 8.134 82 1HB ASP 11 2HB ASP 11 -1.221 7.480 7.480 83 2HB ASP 11 1HB ASP 11 -2.074 6.113 6.113 84 HD1 ASP 11 2HD ASP 11 -2.456 7.815 7.815 85 H ASN 12 H ASN 12 -3.718 8.215 8.215 86 HA ASN 12 HA ASN 12 -4.741 7.108 7.108 87 1HB ASN 12 2HB ASN 12 -6.807 7.831 7.831 88 2HB ASN 12 1HB ASN 12 -6.663 6.674 6.674 89 1HD2 ASN 12 2HD2 ASN 12 -7.969 5.530 5.530 90 2HD2 ASN 12 1HD2 ASN 12 -7.042 6.971 6.971 91 H ILE 13 H ILE 13 -2.712 5.566 5.566 92 HA ILE 13 HA ILE 13 -3.734 2.879 2.879 93 HB ILE 13 HB ILE 13 -1.980 2.180 2.180 94 1HG1 ILE 13 2HG1 ILE 13 -1.797 4.160 4.160 95 2HG1 ILE 13 3HG1 ILE 13 -1.903 5.151 5.151 96 1HG2 ILE 13 2HG2 ILE 13 -4.620 2.564 2.564 97 2HG2 ILE 13 3HG2 ILE 13 -4.068 3.741 3.741 98 3HG2 ILE 13 1HG2 ILE 13 -3.604 2.028 2.028 99 1HD1 ILE 13 2HD1 ILE 13 -0.043 3.696 3.696 100 2HD1 ILE 13 3HD1 ILE 13 0.157 2.993 2.993 101 3HD1 ILE 13 1HD1 ILE 13 0.439 4.732 4.732 102 H CYS 14 H CYS 14 -1.890 1.308 1.308 103 HA CYS 14 HA CYS 14 0.067 2.760 2.760 104 1HB CYS 14 2HB CYS 14 -1.198 1.889 1.889 105 2HB CYS 14 1HB CYS 14 -1.778 0.547 0.547 106 H LYS 15 H LYS 15 2.192 2.210 2.210 107 HA LYS 15 HA LYS 15 2.577 -0.164 -0.164 108 1HB LYS 15 2HB LYS 15 3.997 2.509 2.509 109 2HB LYS 15 1HB LYS 15 4.648 1.092 1.092 110 1HG LYS 15 2HG LYS 15 2.845 0.977 0.977 111 2HG LYS 15 1HG LYS 15 1.796 1.966 1.966 112 1HD LYS 15 2HD LYS 15 2.470 3.801 3.801 113 2HD LYS 15 1HD LYS 15 4.094 3.572 3.572 114 1HE LYS 15 2HE LYS 15 3.183 1.902 1.902 115 2HE LYS 15 1HE LYS 15 3.624 3.576 3.576 116 1HZ LYS 15 1HZ LYS 15 5.490 1.996 1.996 117 2HZ LYS 15 2HZ LYS 15 5.422 1.637 1.637 118 H TYR 16 H TYR 16 4.230 -1.621 -1.621 119 HA TYR 16 HA TYR 16 5.983 -1.008 -1.008 120 1HB TYR 16 2HB TYR 16 5.064 -2.918 -2.918 121 2HB TYR 16 1HB TYR 16 3.806 -1.730 -1.730 122 HD1 TYR 16 HD2 TYR 16 5.050 -5.079 -5.079 123 HD2 TYR 16 HD1 TYR 16 1.871 -2.245 -2.245 124 HE1 TYR 16 HE2 TYR 16 3.563 -6.880 -6.880 125 HE2 TYR 16 HE1 TYR 16 0.394 -4.056 -4.056 126 HH TYR 16 HH TYR 16 1.633 -7.364 -7.364 127 H LYS 17 H LYS 17 7.456 -2.945 -2.945 128 HA LYS 17 HA LYS 17 8.271 -4.009 -4.009 129 1HB LYS 17 2HB LYS 17 9.447 -3.505 -3.505 130 2HB LYS 17 1HB LYS 17 9.806 -5.140 -5.140 131 1HG LYS 17 2HG LYS 17 10.566 -4.230 -4.230 132 2HG LYS 17 1HG LYS 17 10.289 -2.606 -2.606 133 1HD LYS 17 2HD LYS 17 12.300 -4.640 -4.640 134 2HD LYS 17 1HD LYS 17 12.650 -3.104 -3.104 135 1HE LYS 17 2HE LYS 17 11.267 -2.055 -2.055 136 2HE LYS 17 1HE LYS 17 11.506 -3.604 -3.604 137 1HZ LYS 17 1HZ LYS 17 13.993 -3.144 -3.144 138 2HZ LYS 17 2HZ LYS 17 13.516 -1.588 -1.588 139 H ALA 18 H ALA 18 7.821 -5.987 -5.987 140 HA ALA 18 HA ALA 18 5.886 -7.598 -7.598 141 1HB ALA 18 2HB ALA 18 7.022 -7.274 -7.274 142 2HB ALA 18 3HB ALA 18 7.354 -8.958 -8.958 143 3HB ALA 18 1HB ALA 18 5.681 -8.349 -8.349 144 H GLN 19 H GLN 19 6.103 -9.753 -9.753 145 HA GLN 19 HA GLN 19 7.999 -10.117 -10.117 146 1HB GLN 19 2HB GLN 19 5.857 -11.545 -11.545 147 2HB GLN 19 1HB GLN 19 7.081 -12.574 -12.574 148 1HG GLN 19 2HG GLN 19 6.574 -13.327 -13.327 149 2HG GLN 19 1HG GLN 19 8.233 -12.772 -12.772 150 1HE2 GLN 19 2HE2 GLN 19 5.448 -10.931 -10.931 151 2HE2 GLN 19 1HE2 GLN 19 5.084 -12.246 -12.246 152 H SER 20 H SER 20 8.301 -10.648 -10.648 153 HA SER 20 HA SER 20 10.637 -12.216 -12.216 154 1HB SER 20 2HB SER 20 8.862 -11.273 -11.273 155 2HB SER 20 1HB SER 20 10.496 -10.846 -10.846 156 HG SER 20 HG SER 20 9.331 -13.244 -13.244 157 H GLY 21 H GLY 21 9.976 -8.764 -8.764 158 1HA GLY 21 1HA GLY 21 11.812 -7.431 -7.431 159 2HA GLY 21 2HA GLY 21 12.815 -8.141 -8.141 160 H LYS 22 H LYS 22 10.324 -8.097 -8.097 161 HA LYS 22 HA LYS 22 10.980 -5.708 -5.708 162 1HB LYS 22 2HB LYS 22 10.024 -7.832 -7.832 163 2HB LYS 22 1HB LYS 22 8.461 -7.347 -7.347 164 1HG LYS 22 2HG LYS 22 8.250 -6.259 -6.259 165 2HG LYS 22 1HG LYS 22 9.214 -5.016 -5.016 166 1HD LYS 22 2HD LYS 22 11.257 -5.836 -5.836 167 2HD LYS 22 1HD LYS 22 10.503 -7.339 -7.339 168 1HE LYS 22 2HE LYS 22 10.493 -6.132 -6.132 169 2HE LYS 22 1HE LYS 22 8.886 -5.797 -5.797 170 1HZ LYS 22 1HZ LYS 22 9.452 -3.639 -3.639 171 2HZ LYS 22 2HZ LYS 22 11.010 -3.966 -3.966 172 H THR 23 H THR 23 7.659 -5.625 -5.625 173 HA THR 23 HA THR 23 7.120 -4.137 -4.137 174 HB THR 23 HB THR 23 7.618 -2.747 -2.747 175 HG1 THR 23 1HG THR 23 8.342 -2.476 -2.476 176 1HG2 THR 23 3HG2 THR 23 5.392 -2.005 -2.005 177 2HG2 THR 23 1HG2 THR 23 6.335 -1.528 -1.528 178 3HG2 THR 23 2HG2 THR 23 6.627 -0.729 -0.729 179 H ALA 24 H ALA 24 4.948 -4.014 -4.014 180 HA ALA 24 HA ALA 24 3.180 -4.887 -4.887 181 1HB ALA 24 3HB ALA 24 3.654 -6.099 -6.099 182 2HB ALA 24 1HB ALA 24 1.975 -6.034 -6.034 183 3HB ALA 24 2HB ALA 24 3.219 -6.876 -6.876 184 H ILE 25 H ILE 25 1.458 -3.545 -3.545 185 HA ILE 25 HA ILE 25 1.133 -1.433 -1.433 186 HB ILE 25 HB ILE 25 -0.298 -1.664 -1.664 187 1HG1 ILE 25 2HG1 ILE 25 2.508 -0.597 -0.597 188 2HG1 ILE 25 3HG1 ILE 25 2.088 -2.054 -2.054 189 1HG2 ILE 25 3HG2 ILE 25 0.504 0.634 0.634 190 2HG2 ILE 25 1HG2 ILE 25 -0.133 0.838 0.838 191 3HG2 ILE 25 2HG2 ILE 25 -1.137 0.070 0.070 192 1HD1 ILE 25 1HD1 ILE 25 0.441 -0.216 -0.216 193 2HD1 ILE 25 2HD1 ILE 25 1.853 0.789 0.789 194 3HD1 ILE 25 3HD1 ILE 25 2.057 -0.673 -0.673 195 H CYS 26 H CYS 26 -0.747 -1.082 -1.082 196 HA CYS 26 HA CYS 26 -2.765 -3.188 -3.188 197 1HB CYS 26 2HB CYS 26 -1.577 -3.752 -3.752 198 2HB CYS 26 1HB CYS 26 -1.495 -2.087 -2.087 199 H LYS 27 H LYS 27 -4.351 -2.003 -2.003 200 HA LYS 27 HA LYS 27 -4.815 0.630 0.630 201 1HB LYS 27 2HB LYS 27 -7.056 -1.399 -1.399 202 2HB LYS 27 1HB LYS 27 -7.055 0.146 0.146 203 1HG LYS 27 2HG LYS 27 -4.941 -0.878 -0.878 204 2HG LYS 27 1HG LYS 27 -5.620 -2.408 -2.408 205 1HD LYS 27 2HD LYS 27 -6.497 -1.871 -1.871 206 2HD LYS 27 1HD LYS 27 -7.809 -1.784 -1.784 207 1HE LYS 27 2HE LYS 27 -7.800 0.617 0.617 208 2HE LYS 27 1HE LYS 27 -6.215 0.701 0.701 209 1HZ LYS 27 1HZ LYS 27 -7.360 0.891 0.891 210 2HZ LYS 27 2HZ LYS 27 -7.692 -0.699 -0.699 211 H CYS 28 H CYS 28 -6.011 2.180 2.180 212 HA CYS 28 HA CYS 28 -6.180 1.471 1.471 213 1HB CYS 28 2HB CYS 28 -6.073 4.100 4.100 214 2HB CYS 28 1HB CYS 28 -6.517 4.004 4.004 215 H TYR 29 H TYR 29 -8.161 0.122 0.122 216 HA TYR 29 HA TYR 29 -10.519 1.755 1.755 217 1HB TYR 29 2HB TYR 29 -11.468 -0.406 -0.406 218 2HB TYR 29 1HB TYR 29 -9.823 -0.450 -0.450 219 HD1 TYR 29 HD1 TYR 29 -8.067 -1.734 -1.734 220 HD2 TYR 29 HD2 TYR 29 -12.216 -1.930 -1.930 221 HE1 TYR 29 HE1 TYR 29 -7.647 -3.866 -3.866 222 HE2 TYR 29 HE2 TYR 29 -11.782 -4.061 -4.061 223 HH TYR 29 HH TYR 29 -8.632 -5.089 -5.089 224 H VAL 30 H VAL 30 -9.295 2.122 2.122 225 HA VAL 30 HA VAL 30 -11.539 1.414 1.414 226 HB VAL 30 HB VAL 30 -9.687 0.486 0.486 227 1HG1 VAL 30 2HG1 VAL 30 -11.902 -0.508 -0.508 228 2HG1 VAL 30 3HG1 VAL 30 -10.639 -1.636 -1.636 229 3HG1 VAL 30 1HG1 VAL 30 -10.925 -1.396 -1.396 230 1HG2 VAL 30 2HG2 VAL 30 -8.125 0.637 0.637 231 2HG2 VAL 30 3HG2 VAL 30 -7.892 -0.564 -0.564 232 3HG2 VAL 30 1HG2 VAL 30 -8.767 -1.013 -1.013 233 H LYS 31 H LYS 31 -8.064 2.130 2.130 234 HA LYS 31 HA LYS 31 -9.006 4.648 4.648 235 1HB LYS 31 2HB LYS 31 -7.173 2.571 2.571 236 2HB LYS 31 1HB LYS 31 -6.402 4.144 4.144 237 1HG LYS 31 2HG LYS 31 -9.198 3.956 3.956 238 2HG LYS 31 1HG LYS 31 -7.893 3.295 3.295 239 1HD LYS 31 2HD LYS 31 -6.780 5.699 5.699 240 2HD LYS 31 1HD LYS 31 -8.476 6.141 6.141 241 1HE LYS 31 2HE LYS 31 -7.836 6.544 6.544 242 2HE LYS 31 1HE LYS 31 -8.568 4.955 4.955 243 1HZ LYS 31 1HZ LYS 31 -6.209 5.358 5.358 244 2HZ LYS 31 2HZ LYS 31 -6.504 3.951 3.951 245 H LYS 32 H LYS 32 -9.055 5.821 5.821 246 HA LYS 32 HA LYS 32 -7.273 5.890 5.890 247 1HB LYS 32 2HB LYS 32 -8.345 7.763 7.763 248 2HB LYS 32 1HB LYS 32 -9.386 7.420 7.420 249 1HG LYS 32 2HG LYS 32 -7.655 8.796 8.796 250 2HG LYS 32 1HG LYS 32 -7.056 9.369 9.369 251 1HD LYS 32 2HD LYS 32 -8.774 10.903 10.903 252 2HD LYS 32 1HD LYS 32 -9.246 10.296 10.296 253 1HE LYS 32 2HE LYS 32 -10.863 8.811 8.811 254 2HE LYS 32 1HE LYS 32 -10.115 8.799 8.799 255 1HZ LYS 32 1HZ LYS 32 -11.717 10.320 10.320 256 2HZ LYS 32 2HZ LYS 32 -10.748 11.402 11.402 257 H CYS 33 H CYS 33 -5.391 7.265 7.265 258 HA CYS 33 HA CYS 33 -3.521 7.157 7.157 259 1HB CYS 33 2HB CYS 33 -2.757 6.513 6.513 260 2HB CYS 33 1HB CYS 33 -3.322 8.002 8.002 261 HA PRO 34 HA PRO 34 -4.122 11.314 11.314 262 1HB PRO 34 2HB PRO 34 -1.931 11.651 11.651 263 2HB PRO 34 1HB PRO 34 -3.404 10.874 10.874 264 1HG PRO 34 2HG PRO 34 -0.814 9.642 9.642 265 2HG PRO 34 1HG PRO 34 -2.133 8.962 8.962 266 1HD PRO 34 2HD PRO 34 -1.475 8.369 8.369 267 2HD PRO 34 1HD PRO 34 -2.860 7.779 7.779 268 H ARG 35 H ARG 35 -1.075 10.344 10.344 269 HA ARG 35 HA ARG 35 -1.117 12.346 12.346 270 1HB ARG 35 2HB ARG 35 0.902 13.717 13.717 271 2HB ARG 35 1HB ARG 35 -0.697 14.076 14.076 272 1HG ARG 35 2HG ARG 35 -0.238 12.452 12.452 273 2HG ARG 35 1HG ARG 35 1.408 12.309 12.309 274 1HD ARG 35 2HD ARG 35 0.045 14.868 14.868 275 2HD ARG 35 1HD ARG 35 1.320 13.995 13.995 276 HE ARG 35 HE ARG 35 2.238 14.648 14.648 277 1HH1 ARG 35 2HH2 ARG 35 1.462 16.249 16.249 278 2HH1 ARG 35 1HH2 ARG 35 2.559 17.563 17.563 279 HH2 ARG 35 1HH ARG 35 3.856 17.619 17.619 280 H ASP 36 H ASP 36 0.775 12.210 12.210 281 HA ASP 36 HA ASP 36 1.827 9.791 9.791 282 1HB ASP 36 2HB ASP 36 2.335 11.169 11.169 283 2HB ASP 36 1HB ASP 36 2.653 12.555 12.555 284 HD2 ASP 36 2HD ASP 36 4.571 11.454 11.454 285 H GLY 37 H GLY 37 3.502 8.562 8.562 286 1HA GLY 37 1HA GLY 37 5.579 8.328 8.328 287 2HA GLY 37 2HA GLY 37 5.430 9.936 9.936 288 H ALA 38 H ALA 38 2.511 9.435 9.435 289 HA ALA 38 HA ALA 38 2.736 8.882 8.882 290 1HB ALA 38 2HB ALA 38 0.505 8.162 8.162 291 2HB ALA 38 3HB ALA 38 0.333 8.094 8.094 292 3HB ALA 38 1HB ALA 38 0.668 9.647 9.647 293 H LYS 39 H LYS 39 3.470 7.211 7.211 294 HA LYS 39 HA LYS 39 4.153 4.761 4.761 295 1HB LYS 39 2HB LYS 39 5.393 5.855 5.855 296 2HB LYS 39 1HB LYS 39 4.068 5.443 5.443 297 1HG LYS 39 2HG LYS 39 4.806 3.074 3.074 298 2HG LYS 39 1HG LYS 39 6.261 3.778 3.778 299 1HD LYS 39 2HD LYS 39 3.753 3.335 3.335 300 2HD LYS 39 1HD LYS 39 4.976 2.094 2.094 301 1HE LYS 39 2HE LYS 39 5.820 3.115 3.115 302 2HE LYS 39 1HE LYS 39 6.625 4.107 4.107 303 1HZ LYS 39 1HZ LYS 39 4.759 4.945 4.945 304 2HZ LYS 39 2HZ LYS 39 5.511 5.867 5.867 305 H CYS 40 H CYS 40 3.270 2.651 2.651 306 HA CYS 40 HA CYS 40 0.923 2.328 2.328 307 1HB CYS 40 2HB CYS 40 -0.247 3.457 3.457 308 2HB CYS 40 1HB CYS 40 0.620 2.617 2.617 309 H GLU 41 H GLU 41 0.127 -0.012 -0.012 310 HA GLU 41 HA GLU 41 2.259 -1.645 -1.645 311 1HB GLU 41 2HB GLU 41 1.594 -3.274 -3.274 312 2HB GLU 41 1HB GLU 41 2.687 -1.941 -1.941 313 1HG GLU 41 2HG GLU 41 0.614 -0.558 -0.558 314 2HG GLU 41 1HG GLU 41 -0.301 -2.051 -2.051 315 HE2 GLU 41 2HE GLU 41 0.425 -3.691 -3.691 316 H PHE 42 H PHE 42 1.596 -3.660 -3.660 317 HA PHE 42 HA PHE 42 -1.263 -3.692 -3.692 318 1HB PHE 42 2HB PHE 42 0.329 -3.559 -3.559 319 2HB PHE 42 1HB PHE 42 1.281 -4.878 -4.878 320 HD1 PHE 42 2HD PHE 42 -2.382 -4.473 -4.473 321 HD2 PHE 42 1HD PHE 42 1.150 -6.698 -6.698 322 HE1 PHE 42 2HE PHE 42 -3.708 -6.107 -6.107 323 HE2 PHE 42 1HE PHE 42 -0.177 -8.331 -8.331 324 HZ PHE 42 HZ PHE 42 -2.590 -8.016 -8.016 325 H ASP 43 H ASP 43 -2.442 -5.045 -5.045 326 HA ASP 43 HA ASP 43 -1.195 -7.145 -7.145 327 1HB ASP 43 2HB ASP 43 -3.730 -7.759 -7.759 328 2HB ASP 43 1HB ASP 43 -3.067 -6.302 -6.302 329 HD2 ASP 43 2HD ASP 43 -5.971 -6.777 -6.777 330 H SER 44 H SER 44 -0.878 -9.261 -9.261 331 HA SER 44 HA SER 44 -1.967 -9.904 -9.904 332 1HB SER 44 2HB SER 44 -0.198 -11.352 -11.352 333 2HB SER 44 1HB SER 44 0.482 -10.349 -10.349 334 HG SER 44 HG SER 44 0.310 -12.886 -12.886 335 H TYR 45 H TYR 45 -3.465 -9.820 -9.820 336 HA TYR 45 HA TYR 45 -4.321 -12.602 -12.602 337 1HB TYR 45 2HB TYR 45 -5.401 -10.219 -10.219 338 2HB TYR 45 1HB TYR 45 -5.174 -11.862 -11.862 339 HD1 TYR 45 HD1 TYR 45 -2.433 -12.526 -12.526 340 HD2 TYR 45 HD2 TYR 45 -4.097 -8.732 -8.732 341 HE1 TYR 45 HE1 TYR 45 -0.225 -11.850 -11.850 342 HE2 TYR 45 HE2 TYR 45 -1.884 -8.068 -8.068 343 HH TYR 45 HH TYR 45 0.698 -10.390 -10.390 344 H LYS 46 H LYS 46 -5.382 -9.390 -9.390 345 HA LYS 46 HA LYS 46 -7.846 -10.666 -10.666 346 1HB LYS 46 2HB LYS 46 -7.887 -7.801 -7.801 347 2HB LYS 46 1HB LYS 46 -9.206 -8.944 -8.944 348 1HG LYS 46 2HG LYS 46 -7.794 -10.253 -10.253 349 2HG LYS 46 1HG LYS 46 -7.184 -8.642 -8.642 350 1HD LYS 46 2HD LYS 46 -9.187 -7.907 -7.907 351 2HD LYS 46 1HD LYS 46 -10.131 -8.746 -8.746 352 1HE LYS 46 2HE LYS 46 -10.709 -9.981 -9.981 353 2HE LYS 46 1HE LYS 46 -9.358 -10.931 -10.931 354 1HZ LYS 46 1HZ LYS 46 -8.580 -10.584 -10.584 355 2HZ LYS 46 2HZ LYS 46 -8.108 -9.121 -9.121 356 H GLY 47 H GLY 47 -5.492 -7.937 -7.937 357 1HA GLY 47 1HA GLY 47 -4.415 -7.639 -7.639 358 2HA GLY 47 2HA GLY 47 -5.919 -8.056 -8.056 359 H LYS 48 H LYS 48 -5.999 -6.060 -6.060 360 HA LYS 48 HA LYS 48 -7.053 -3.883 -3.883 361 1HB LYS 48 2HB LYS 48 -7.644 -4.973 -4.973 362 2HB LYS 48 1HB LYS 48 -6.951 -3.398 -3.398 363 1HG LYS 48 2HG LYS 48 -8.939 -2.466 -2.466 364 2HG LYS 48 1HG LYS 48 -8.659 -2.968 -2.968 365 1HD LYS 48 2HD LYS 48 -10.618 -4.133 -4.133 366 2HD LYS 48 1HD LYS 48 -9.551 -5.335 -5.335 367 1HE LYS 48 2HE LYS 48 -11.283 -3.295 -3.295 368 2HE LYS 48 1HE LYS 48 -11.279 -5.038 -5.038 369 1HZ LYS 48 1HZ LYS 48 -10.083 -3.692 -3.692 370 2HZ LYS 48 2HZ LYS 48 -9.244 -4.948 -4.948 371 H CYS 49 H CYS 49 -6.377 -1.577 -1.577 372 HA CYS 49 HA CYS 49 -3.450 -1.626 -1.626 373 1HB CYS 49 2HB CYS 49 -3.682 -0.696 -0.696 374 2HB CYS 49 1HB CYS 49 -5.281 -0.059 -0.059 375 H TYR 50 H TYR 50 -3.416 -1.517 -1.517 376 HA TYR 50 HA TYR 50 -5.091 0.211 0.211 377 1HB TYR 50 2HB TYR 50 -2.516 -1.388 -1.388 378 2HB TYR 50 1HB TYR 50 -2.940 -0.264 -0.264 379 HD1 TYR 50 HD2 TYR 50 -5.754 -1.752 -1.752 380 HD2 TYR 50 HD1 TYR 50 -2.981 -2.310 -2.310 381 HE1 TYR 50 HE2 TYR 50 -7.288 -3.497 -3.497 382 HE2 TYR 50 HE1 TYR 50 -4.524 -4.054 -4.054 383 HH TYR 50 HH TYR 50 -7.735 -4.573 -4.573 384 H CYS 51 H CYS 51 -4.663 2.116 2.116 385 HA CYS 51 HA CYS 51 -2.163 3.429 3.429 386 1HB CYS 51 2HB CYS 51 -4.610 4.878 4.878 387 2HB CYS 51 1HB CYS 51 -2.961 4.985 4.985 Start of MODEL 22 1 H ALA 1 H ALA 1 3.061 -11.243 -11.243 2 HA ALA 1 HA ALA 1 4.500 -10.526 -10.526 3 1HB ALA 1 2HB ALA 1 3.031 -12.727 -12.727 4 2HB ALA 1 3HB ALA 1 2.757 -11.689 -11.689 5 3HB ALA 1 1HB ALA 1 4.416 -12.120 -12.120 6 H THR 2 H THR 2 2.783 -8.376 -8.376 7 HA THR 2 HA THR 2 1.675 -7.269 -7.269 8 HB THR 2 HB THR 2 2.259 -5.639 -5.639 9 HG1 THR 2 1HG THR 2 0.719 -6.937 -6.937 10 1HG2 THR 2 3HG2 THR 2 0.572 -5.290 -5.290 11 2HG2 THR 2 1HG2 THR 2 -0.509 -6.124 -6.124 12 3HG2 THR 2 2HG2 THR 2 0.269 -4.594 -4.594 13 H TYR 3 H TYR 3 2.658 -6.151 -6.151 14 HA TYR 3 HA TYR 3 5.465 -5.518 -5.518 15 1HB TYR 3 2HB TYR 3 3.519 -5.216 -5.216 16 2HB TYR 3 1HB TYR 3 5.266 -5.134 -5.134 17 HD1 TYR 3 HD2 TYR 3 2.407 -7.406 -7.406 18 HD2 TYR 3 HD1 TYR 3 6.601 -7.120 -7.120 19 HE1 TYR 3 HE2 TYR 3 2.503 -9.910 -9.910 20 HE2 TYR 3 HE1 TYR 3 6.684 -9.624 -9.624 21 HH TYR 3 HH TYR 3 4.030 -11.436 -11.436 22 H ASN 4 H ASN 4 6.213 -3.512 -3.512 23 HA ASN 4 HA ASN 4 4.295 -1.412 -1.412 24 1HB ASN 4 2HB ASN 4 7.291 -1.603 -1.603 25 2HB ASN 4 1HB ASN 4 6.403 -0.105 -0.105 26 1HD2 ASN 4 2HD2 ASN 4 4.864 -3.205 -3.205 27 2HD2 ASN 4 1HD2 ASN 4 5.082 -3.319 -3.319 28 H GLY 5 H GLY 5 4.893 0.836 0.836 29 1HA GLY 5 1HA GLY 5 6.765 1.204 1.204 30 2HA GLY 5 2HA GLY 5 5.306 0.616 0.616 31 H LYS 6 H LYS 6 4.643 2.519 2.519 32 HA LYS 6 HA LYS 6 3.649 4.572 4.572 33 1HB LYS 6 2HB LYS 6 5.133 5.423 5.423 34 2HB LYS 6 1HB LYS 6 4.705 6.364 6.364 35 1HG LYS 6 2HG LYS 6 6.952 5.987 5.987 36 2HG LYS 6 1HG LYS 6 6.257 4.597 4.597 37 1HD LYS 6 2HD LYS 6 6.912 3.097 3.097 38 2HD LYS 6 1HD LYS 6 6.996 4.352 4.352 39 1HE LYS 6 2HE LYS 6 9.269 4.074 4.074 40 2HE LYS 6 1HE LYS 6 8.934 5.315 5.315 41 1HZ LYS 6 1HZ LYS 6 8.436 2.679 2.679 42 2HZ LYS 6 2HZ LYS 6 9.984 2.855 2.855 43 H CYS 7 H CYS 7 2.197 6.159 6.159 44 HA CYS 7 HA CYS 7 0.930 4.682 4.682 45 1HB CYS 7 2HB CYS 7 -1.285 5.600 5.600 46 2HB CYS 7 1HB CYS 7 -0.593 4.101 4.101 47 H TYR 8 H TYR 8 -0.287 6.145 6.145 48 HA TYR 8 HA TYR 8 0.671 8.917 8.917 49 1HB TYR 8 2HB TYR 8 -0.049 7.073 7.073 50 2HB TYR 8 1HB TYR 8 0.371 8.762 8.762 51 HD1 TYR 8 HD1 TYR 8 2.688 9.239 9.239 52 HD2 TYR 8 HD2 TYR 8 1.649 5.699 5.699 53 HE1 TYR 8 HE1 TYR 8 5.145 8.603 8.603 54 HE2 TYR 8 HE2 TYR 8 4.110 5.074 5.074 55 HH TYR 8 HH TYR 8 6.592 7.304 7.304 56 H LYS 9 H LYS 9 -0.811 10.568 10.568 57 HA LYS 9 HA LYS 9 -3.497 9.985 9.985 58 1HB LYS 9 2HB LYS 9 -1.781 12.273 12.273 59 2HB LYS 9 1HB LYS 9 -3.204 12.660 12.660 60 1HG LYS 9 2HG LYS 9 -4.583 11.643 11.643 61 2HG LYS 9 1HG LYS 9 -3.097 11.690 11.690 62 1HD LYS 9 2HD LYS 9 -3.043 14.025 14.025 63 2HD LYS 9 1HD LYS 9 -3.880 14.207 14.207 64 1HE LYS 9 2HE LYS 9 -6.016 13.826 13.826 65 2HE LYS 9 1HE LYS 9 -5.348 13.007 13.007 66 1HZ LYS 9 1HZ LYS 9 -6.111 15.446 15.446 67 2HZ LYS 9 2HZ LYS 9 -4.695 15.032 15.032 68 H LYS 10 H LYS 10 -2.129 11.747 11.747 69 HA LYS 10 HA LYS 10 -4.294 11.686 11.686 70 1HB LYS 10 2HB LYS 10 -1.831 12.561 12.561 71 2HB LYS 10 1HB LYS 10 -1.619 11.053 11.053 72 1HG LYS 10 2HG LYS 10 -3.710 11.638 11.638 73 2HG LYS 10 1HG LYS 10 -3.697 13.212 13.212 74 1HD LYS 10 2HD LYS 10 -2.480 13.671 13.671 75 2HD LYS 10 1HD LYS 10 -1.181 13.312 13.312 76 1HE LYS 10 2HE LYS 10 -0.522 11.872 11.872 77 2HE LYS 10 1HE LYS 10 -1.653 10.788 10.788 78 1HZ LYS 10 1HZ LYS 10 -3.045 12.459 12.459 79 2HZ LYS 10 2HZ LYS 10 -1.813 11.739 11.739 80 H ASP 11 H ASP 11 -1.693 9.202 9.202 81 HA ASP 11 HA ASP 11 -3.238 7.513 7.513 82 1HB ASP 11 2HB ASP 11 -0.717 7.417 7.417 83 2HB ASP 11 1HB ASP 11 -1.102 6.644 6.644 84 HD2 ASP 11 2HD ASP 11 0.238 5.021 5.021 85 H ASN 12 H ASN 12 -3.303 8.247 8.247 86 HA ASN 12 HA ASN 12 -4.234 7.324 7.324 87 1HB ASN 12 2HB ASN 12 -6.310 8.127 8.127 88 2HB ASN 12 1HB ASN 12 -6.286 7.123 7.123 89 1HD2 ASN 12 2HD2 ASN 12 -7.446 5.533 5.533 90 2HD2 ASN 12 1HD2 ASN 12 -6.335 6.858 6.858 91 H ILE 13 H ILE 13 -2.413 5.528 5.528 92 HA ILE 13 HA ILE 13 -3.786 2.960 2.960 93 HB ILE 13 HB ILE 13 -1.983 1.971 1.971 94 1HG1 ILE 13 2HG1 ILE 13 -0.821 3.525 3.525 95 2HG1 ILE 13 3HG1 ILE 13 -1.387 4.877 4.877 96 1HG2 ILE 13 2HG2 ILE 13 -4.398 3.108 3.108 97 2HG2 ILE 13 3HG2 ILE 13 -3.270 3.796 3.796 98 3HG2 ILE 13 1HG2 ILE 13 -3.411 2.030 2.030 99 1HD1 ILE 13 3HD1 ILE 13 0.000 2.652 2.652 100 2HD1 ILE 13 1HD1 ILE 13 0.998 3.717 3.717 101 3HD1 ILE 13 2HD1 ILE 13 0.029 4.405 4.405 102 H CYS 14 H CYS 14 -1.691 1.273 1.273 103 HA CYS 14 HA CYS 14 -0.289 2.550 2.550 104 1HB CYS 14 2HB CYS 14 -1.722 1.251 1.251 105 2HB CYS 14 1HB CYS 14 -1.915 0.067 0.067 106 H LYS 15 H LYS 15 1.777 2.779 2.779 107 HA LYS 15 HA LYS 15 2.815 0.620 0.620 108 1HB LYS 15 2HB LYS 15 2.926 3.148 3.148 109 2HB LYS 15 1HB LYS 15 4.215 3.217 3.217 110 1HG LYS 15 2HG LYS 15 4.292 1.087 1.087 111 2HG LYS 15 1HG LYS 15 4.771 2.725 2.725 112 1HD LYS 15 2HD LYS 15 5.988 1.867 1.867 113 2HD LYS 15 1HD LYS 15 6.367 0.740 0.740 114 1HE LYS 15 2HE LYS 15 6.901 2.926 2.926 115 2HE LYS 15 1HE LYS 15 7.003 3.701 3.701 116 1HZ LYS 15 1HZ LYS 15 8.469 1.391 1.391 117 2HZ LYS 15 2HZ LYS 15 8.870 1.915 1.915 118 H TYR 16 H TYR 16 4.230 -0.890 -0.890 119 HA TYR 16 HA TYR 16 5.933 -0.302 -0.302 120 1HB TYR 16 2HB TYR 16 4.934 -2.210 -2.210 121 2HB TYR 16 1HB TYR 16 3.750 -0.945 -0.945 122 HD1 TYR 16 HD1 TYR 16 2.330 -1.272 -1.272 123 HD2 TYR 16 HD2 TYR 16 4.250 -4.398 -4.398 124 HE1 TYR 16 HE1 TYR 16 0.747 -2.976 -2.976 125 HE2 TYR 16 HE2 TYR 16 2.661 -6.092 -6.092 126 HH TYR 16 HH TYR 16 0.558 -5.228 -5.228 127 H LYS 17 H LYS 17 7.119 -2.514 -2.514 128 HA LYS 17 HA LYS 17 7.930 -3.643 -3.643 129 1HB LYS 17 2HB LYS 17 9.247 -3.084 -3.084 130 2HB LYS 17 1HB LYS 17 9.720 -4.588 -4.588 131 1HG LYS 17 2HG LYS 17 10.370 -3.443 -3.443 132 2HG LYS 17 1HG LYS 17 9.646 -1.940 -1.940 133 1HD LYS 17 2HD LYS 17 11.417 -2.554 -2.554 134 2HD LYS 17 1HD LYS 17 12.289 -3.090 -3.090 135 1HE LYS 17 2HE LYS 17 11.072 -0.539 -0.539 136 2HE LYS 17 1HE LYS 17 11.891 -0.392 -0.392 137 1HZ LYS 17 1HZ LYS 17 13.307 -1.717 -1.717 138 2HZ LYS 17 2HZ LYS 17 13.224 -0.091 -0.091 139 H ALA 18 H ALA 18 7.877 -5.864 -5.864 140 HA ALA 18 HA ALA 18 6.012 -7.327 -7.327 141 1HB ALA 18 2HB ALA 18 5.854 -7.070 -7.070 142 2HB ALA 18 3HB ALA 18 7.216 -8.212 -8.212 143 3HB ALA 18 1HB ALA 18 5.677 -8.711 -8.711 144 H GLN 19 H GLN 19 6.507 -9.688 -9.688 145 HA GLN 19 HA GLN 19 8.773 -9.895 -9.895 146 1HB GLN 19 2HB GLN 19 6.582 -11.407 -11.407 147 2HB GLN 19 1HB GLN 19 7.623 -12.373 -12.373 148 1HG GLN 19 2HG GLN 19 8.651 -11.495 -11.495 149 2HG GLN 19 1HG GLN 19 7.509 -12.823 -12.823 150 1HE2 GLN 19 2HE2 GLN 19 9.687 -14.903 -14.903 151 2HE2 GLN 19 1HE2 GLN 19 8.062 -14.304 -14.304 152 H SER 20 H SER 20 8.331 -10.294 -10.294 153 HA SER 20 HA SER 20 11.146 -11.033 -11.033 154 1HB SER 20 2HB SER 20 10.180 -12.055 -12.055 155 2HB SER 20 1HB SER 20 10.382 -12.999 -12.999 156 HG SER 20 HG SER 20 8.019 -12.063 -12.063 157 H GLY 21 H GLY 21 9.520 -8.421 -8.421 158 1HA GLY 21 1HA GLY 21 9.622 -6.476 -6.476 159 2HA GLY 21 2HA GLY 21 10.977 -7.127 -7.127 160 H LYS 22 H LYS 22 8.196 -9.167 -9.167 161 HA LYS 22 HA LYS 22 7.928 -8.617 -8.617 162 1HB LYS 22 2HB LYS 22 7.683 -10.864 -10.864 163 2HB LYS 22 1HB LYS 22 6.165 -10.320 -10.320 164 1HG LYS 22 2HG LYS 22 6.246 -9.723 -9.723 165 2HG LYS 22 1HG LYS 22 6.589 -11.420 -11.420 166 1HD LYS 22 2HD LYS 22 4.204 -9.958 -9.958 167 2HD LYS 22 1HD LYS 22 4.120 -10.874 -10.874 168 1HE LYS 22 2HE LYS 22 5.164 -12.137 -12.137 169 2HE LYS 22 1HE LYS 22 3.447 -12.082 -12.082 170 1HZ LYS 22 1HZ LYS 22 5.513 -13.351 -13.351 171 2HZ LYS 22 2HZ LYS 22 4.387 -14.135 -14.135 172 H THR 23 H THR 23 5.455 -8.485 -8.485 173 HA THR 23 HA THR 23 3.571 -7.054 -7.054 174 HB THR 23 HB THR 23 4.094 -7.960 -7.960 175 HG1 THR 23 1HG THR 23 1.689 -7.497 -7.497 176 1HG2 THR 23 2HG2 THR 23 4.451 -5.339 -5.339 177 2HG2 THR 23 3HG2 THR 23 2.692 -5.268 -5.268 178 3HG2 THR 23 1HG2 THR 23 3.351 -6.193 -6.193 179 H ALA 24 H ALA 24 2.847 -4.708 -4.708 180 HA ALA 24 HA ALA 24 4.600 -2.772 -2.772 181 1HB ALA 24 3HB ALA 24 4.910 -3.605 -3.605 182 2HB ALA 24 1HB ALA 24 5.022 -1.875 -1.875 183 3HB ALA 24 2HB ALA 24 6.136 -3.038 -3.038 184 H ILE 25 H ILE 25 3.197 -1.191 -1.191 185 HA ILE 25 HA ILE 25 1.423 0.121 0.121 186 HB ILE 25 HB ILE 25 1.203 -0.307 -0.307 187 1HG1 ILE 25 2HG1 ILE 25 2.943 1.796 1.796 188 2HG1 ILE 25 3HG1 ILE 25 3.576 0.203 0.203 189 1HG2 ILE 25 3HG2 ILE 25 -0.199 1.322 1.322 190 2HG2 ILE 25 1HG2 ILE 25 0.793 2.385 2.385 191 3HG2 ILE 25 2HG2 ILE 25 -0.364 1.255 1.255 192 1HD1 ILE 25 1HD1 ILE 25 2.203 0.904 0.904 193 2HD1 ILE 25 2HD1 ILE 25 2.967 2.424 2.424 194 3HD1 ILE 25 3HD1 ILE 25 3.964 0.976 0.976 195 H CYS 26 H CYS 26 -0.712 -0.135 -0.135 196 HA CYS 26 HA CYS 26 -2.145 -2.363 -2.363 197 1HB CYS 26 2HB CYS 26 -1.454 -3.590 -3.590 198 2HB CYS 26 1HB CYS 26 -1.270 -2.196 -2.196 199 H LYS 27 H LYS 27 -3.921 -1.300 -1.300 200 HA LYS 27 HA LYS 27 -4.787 1.162 1.162 201 1HB LYS 27 2HB LYS 27 -7.182 0.034 0.034 202 2HB LYS 27 1HB LYS 27 -6.002 0.183 0.183 203 1HG LYS 27 2HG LYS 27 -5.455 -2.086 -2.086 204 2HG LYS 27 1HG LYS 27 -5.802 -2.259 -2.259 205 1HD LYS 27 2HD LYS 27 -7.747 -3.245 -3.245 206 2HD LYS 27 1HD LYS 27 -8.307 -1.617 -1.617 207 1HE LYS 27 2HE LYS 27 -7.735 -1.769 -1.769 208 2HE LYS 27 1HE LYS 27 -6.755 -3.201 -3.201 209 1HZ LYS 27 1HZ LYS 27 -8.813 -4.399 -4.399 210 2HZ LYS 27 2HZ LYS 27 -9.707 -3.071 -3.071 211 H CYS 28 H CYS 28 -5.750 2.388 2.388 212 HA CYS 28 HA CYS 28 -6.163 1.037 1.037 213 1HB CYS 28 2HB CYS 28 -5.703 3.887 3.887 214 2HB CYS 28 1HB CYS 28 -6.444 3.531 3.531 215 H TYR 29 H TYR 29 -8.227 0.491 0.491 216 HA TYR 29 HA TYR 29 -10.427 1.934 1.934 217 1HB TYR 29 2HB TYR 29 -11.600 -0.228 -0.228 218 2HB TYR 29 1HB TYR 29 -10.008 -0.572 -0.572 219 HD1 TYR 29 HD2 TYR 29 -12.097 -0.719 -0.719 220 HD2 TYR 29 HD1 TYR 29 -8.447 -1.942 -1.942 221 HE1 TYR 29 HE2 TYR 29 -11.687 -2.385 -2.385 222 HE2 TYR 29 HE1 TYR 29 -8.049 -3.604 -3.604 223 HH TYR 29 HH TYR 29 -9.197 -3.487 -3.487 224 H VAL 30 H VAL 30 -8.725 1.879 1.879 225 HA VAL 30 HA VAL 30 -11.158 2.220 2.220 226 HB VAL 30 HB VAL 30 -9.866 1.528 1.528 227 1HG1 VAL 30 1HG1 VAL 30 -10.904 -0.133 -0.133 228 2HG1 VAL 30 2HG1 VAL 30 -9.201 -0.615 -0.615 229 3HG1 VAL 30 3HG1 VAL 30 -9.984 -0.733 -0.733 230 1HG2 VAL 30 1HG2 VAL 30 -7.643 2.308 2.308 231 2HG2 VAL 30 2HG2 VAL 30 -7.624 1.376 1.376 232 3HG2 VAL 30 3HG2 VAL 30 -7.519 0.533 0.533 233 H LYS 31 H LYS 31 -8.929 3.211 3.211 234 HA LYS 31 HA LYS 31 -9.464 5.891 5.891 235 1HB LYS 31 2HB LYS 31 -7.941 4.179 4.179 236 2HB LYS 31 1HB LYS 31 -6.890 5.503 5.503 237 1HG LYS 31 2HG LYS 31 -7.949 6.533 6.533 238 2HG LYS 31 1HG LYS 31 -9.097 6.962 6.962 239 1HD LYS 31 2HD LYS 31 -9.751 4.314 4.314 240 2HD LYS 31 1HD LYS 31 -9.564 5.394 5.394 241 1HE LYS 31 2HE LYS 31 -11.259 6.111 6.111 242 2HE LYS 31 1HE LYS 31 -11.918 5.277 5.277 243 1HZ LYS 31 1HZ LYS 31 -12.204 7.351 7.351 244 2HZ LYS 31 2HZ LYS 31 -10.604 7.380 7.380 245 H LYS 32 H LYS 32 -9.276 6.673 6.673 246 HA LYS 32 HA LYS 32 -7.374 6.281 6.281 247 1HB LYS 32 2HB LYS 32 -8.243 8.081 8.081 248 2HB LYS 32 1HB LYS 32 -9.442 7.980 7.980 249 1HG LYS 32 2HG LYS 32 -6.917 9.694 9.694 250 2HG LYS 32 1HG LYS 32 -8.492 10.301 10.301 251 1HD LYS 32 2HD LYS 32 -8.000 8.894 8.894 252 2HD LYS 32 1HD LYS 32 -7.853 10.629 10.629 253 1HE LYS 32 2HE LYS 32 -10.339 10.036 10.036 254 2HE LYS 32 1HE LYS 32 -10.283 8.976 8.976 255 1HZ LYS 32 1HZ LYS 32 -9.574 11.064 11.064 256 2HZ LYS 32 2HZ LYS 32 -10.069 11.925 11.925 257 H CYS 33 H CYS 33 -5.370 7.379 7.379 258 HA CYS 33 HA CYS 33 -3.559 7.468 7.468 259 1HB CYS 33 2HB CYS 33 -2.784 6.837 6.837 260 2HB CYS 33 1HB CYS 33 -3.385 8.305 8.305 261 HA PRO 34 HA PRO 34 -4.199 11.616 11.616 262 1HB PRO 34 2HB PRO 34 -2.084 11.897 11.897 263 2HB PRO 34 1HB PRO 34 -3.596 11.141 11.141 264 1HG PRO 34 2HG PRO 34 -0.996 9.869 9.869 265 2HG PRO 34 1HG PRO 34 -2.372 9.204 9.204 266 1HD PRO 34 2HD PRO 34 -1.590 8.627 8.627 267 2HD PRO 34 1HD PRO 34 -3.028 8.053 8.053 268 H ARG 35 H ARG 35 -1.148 10.586 10.586 269 HA ARG 35 HA ARG 35 -1.036 12.564 12.564 270 1HB ARG 35 2HB ARG 35 0.872 14.002 14.002 271 2HB ARG 35 1HB ARG 35 -0.766 14.326 14.326 272 1HG ARG 35 2HG ARG 35 -0.246 12.555 12.555 273 2HG ARG 35 1HG ARG 35 1.432 12.833 12.833 274 1HD ARG 35 2HD ARG 35 -0.546 14.716 14.716 275 2HD ARG 35 1HD ARG 35 1.143 14.459 14.459 276 HE ARG 35 HE ARG 35 0.074 16.233 16.233 277 1HH1 ARG 35 2HH2 ARG 35 2.941 14.679 14.679 278 2HH1 ARG 35 1HH2 ARG 35 4.050 15.784 15.784 279 HH2 ARG 35 1HH ARG 35 3.203 17.547 17.547 280 H ASP 36 H ASP 36 0.764 12.198 12.198 281 HA ASP 36 HA ASP 36 1.926 9.853 9.853 282 1HB ASP 36 2HB ASP 36 3.434 12.437 12.437 283 2HB ASP 36 1HB ASP 36 3.748 10.870 10.870 284 HD2 ASP 36 2HD ASP 36 1.792 13.573 13.573 285 H GLY 37 H GLY 37 3.562 8.711 8.711 286 1HA GLY 37 1HA GLY 37 5.624 8.612 8.612 287 2HA GLY 37 2HA GLY 37 5.375 10.234 10.234 288 H ALA 38 H ALA 38 2.380 9.399 9.399 289 HA ALA 38 HA ALA 38 2.579 8.957 8.957 290 1HB ALA 38 1HB ALA 38 0.366 8.273 8.273 291 2HB ALA 38 2HB ALA 38 0.169 8.290 8.290 292 3HB ALA 38 3HB ALA 38 0.564 9.794 9.794 293 H LYS 39 H LYS 39 3.267 7.248 7.248 294 HA LYS 39 HA LYS 39 4.020 4.845 4.845 295 1HB LYS 39 2HB LYS 39 4.925 5.892 5.892 296 2HB LYS 39 1HB LYS 39 3.491 5.309 5.309 297 1HG LYS 39 2HG LYS 39 4.555 3.120 3.120 298 2HG LYS 39 1HG LYS 39 5.890 3.847 3.847 299 1HD LYS 39 2HD LYS 39 5.007 2.230 2.230 300 2HD LYS 39 1HD LYS 39 4.395 3.761 3.761 301 1HE LYS 39 2HE LYS 39 2.787 2.043 2.043 302 2HE LYS 39 1HE LYS 39 2.704 1.796 1.796 303 1HZ LYS 39 1HZ LYS 39 1.028 3.337 3.337 304 2HZ LYS 39 2HZ LYS 39 2.246 4.358 4.358 305 H CYS 40 H CYS 40 3.114 2.712 2.712 306 HA CYS 40 HA CYS 40 0.484 2.432 2.432 307 1HB CYS 40 2HB CYS 40 -0.322 3.363 3.363 308 2HB CYS 40 1HB CYS 40 0.906 2.600 2.600 309 H GLU 41 H GLU 41 -0.221 0.066 0.066 310 HA GLU 41 HA GLU 41 2.089 -1.620 -1.620 311 1HB GLU 41 2HB GLU 41 1.139 -3.073 -3.073 312 2HB GLU 41 1HB GLU 41 2.125 -1.673 -1.673 313 1HG GLU 41 2HG GLU 41 -0.094 -0.334 -0.334 314 2HG GLU 41 1HG GLU 41 -0.913 -1.883 -1.883 315 HE2 GLU 41 2HE GLU 41 -0.529 -0.536 -0.536 316 H PHE 42 H PHE 42 1.600 -3.715 -3.715 317 HA PHE 42 HA PHE 42 -1.166 -3.905 -3.905 318 1HB PHE 42 2HB PHE 42 0.557 -3.694 -3.694 319 2HB PHE 42 1HB PHE 42 1.571 -4.891 -4.891 320 HD1 PHE 42 2HD PHE 42 -1.916 -4.658 -4.658 321 HD2 PHE 42 1HD PHE 42 1.621 -6.975 -6.975 322 HE1 PHE 42 2HE PHE 42 -2.946 -6.455 -6.455 323 HE2 PHE 42 1HE PHE 42 0.590 -8.772 -8.772 324 HZ PHE 42 HZ PHE 42 -1.681 -8.491 -8.491 325 H ASP 43 H ASP 43 -2.372 -5.337 -5.337 326 HA ASP 43 HA ASP 43 -1.181 -7.257 -7.257 327 1HB ASP 43 2HB ASP 43 -3.746 -6.153 -6.153 328 2HB ASP 43 1HB ASP 43 -3.958 -7.843 -7.843 329 HD2 ASP 43 2HD ASP 43 -4.296 -7.040 -7.040 330 H SER 44 H SER 44 -0.645 -9.423 -9.423 331 HA SER 44 HA SER 44 -1.083 -10.246 -10.246 332 1HB SER 44 2HB SER 44 0.716 -11.753 -11.753 333 2HB SER 44 1HB SER 44 1.193 -10.347 -10.347 334 HG SER 44 HG SER 44 -0.010 -12.770 -12.770 335 H TYR 45 H TYR 45 -2.253 -10.769 -10.769 336 HA TYR 45 HA TYR 45 -3.116 -13.429 -13.429 337 1HB TYR 45 2HB TYR 45 -4.144 -12.867 -12.867 338 2HB TYR 45 1HB TYR 45 -2.891 -11.646 -11.646 339 HD1 TYR 45 HD1 TYR 45 -4.041 -9.719 -9.719 340 HD2 TYR 45 HD2 TYR 45 -5.907 -11.868 -11.868 341 HE1 TYR 45 HE1 TYR 45 -5.805 -7.900 -7.900 342 HE2 TYR 45 HE2 TYR 45 -7.664 -10.042 -10.042 343 HH TYR 45 HH TYR 45 -8.644 -8.339 -8.339 344 H LYS 46 H LYS 46 -4.122 -10.611 -10.611 345 HA LYS 46 HA LYS 46 -6.489 -12.031 -12.031 346 1HB LYS 46 2HB LYS 46 -6.548 -9.253 -9.253 347 2HB LYS 46 1HB LYS 46 -7.819 -9.885 -9.885 348 1HG LYS 46 2HG LYS 46 -7.739 -11.956 -11.956 349 2HG LYS 46 1HG LYS 46 -6.984 -10.799 -10.799 350 1HD LYS 46 2HD LYS 46 -8.931 -9.245 -9.245 351 2HD LYS 46 1HD LYS 46 -9.689 -10.425 -10.425 352 1HE LYS 46 2HE LYS 46 -8.825 -11.421 -11.421 353 2HE LYS 46 1HE LYS 46 -10.164 -10.291 -10.291 354 1HZ LYS 46 1HZ LYS 46 -10.312 -12.442 -12.442 355 2HZ LYS 46 2HZ LYS 46 -10.493 -12.896 -12.896 356 H GLY 47 H GLY 47 -4.539 -8.978 -8.978 357 1HA GLY 47 1HA GLY 47 -3.229 -8.604 -8.604 358 2HA GLY 47 2HA GLY 47 -4.413 -9.477 -9.477 359 H LYS 48 H LYS 48 -4.930 -6.947 -6.947 360 HA LYS 48 HA LYS 48 -6.253 -5.349 -5.349 361 1HB LYS 48 2HB LYS 48 -6.914 -5.795 -5.795 362 2HB LYS 48 1HB LYS 48 -7.499 -4.386 -4.386 363 1HG LYS 48 2HG LYS 48 -9.078 -5.598 -5.598 364 2HG LYS 48 1HG LYS 48 -7.908 -6.805 -6.805 365 1HD LYS 48 2HD LYS 48 -9.140 -8.162 -8.162 366 2HD LYS 48 1HD LYS 48 -8.093 -7.482 -7.482 367 1HE LYS 48 2HE LYS 48 -10.459 -7.342 -7.342 368 2HE LYS 48 1HE LYS 48 -9.785 -5.736 -5.736 369 1HZ LYS 48 1HZ LYS 48 -11.810 -7.060 -7.060 370 2HZ LYS 48 2HZ LYS 48 -11.656 -5.480 -5.480 371 H CYS 49 H CYS 49 -6.406 -2.895 -2.895 372 HA CYS 49 HA CYS 49 -3.593 -2.255 -2.255 373 1HB CYS 49 2HB CYS 49 -3.746 -0.651 -0.651 374 2HB CYS 49 1HB CYS 49 -5.287 -1.341 -1.341 375 H TYR 50 H TYR 50 -3.069 -1.196 -1.196 376 HA TYR 50 HA TYR 50 -5.344 -0.319 -0.319 377 1HB TYR 50 2HB TYR 50 -2.916 -2.066 -2.066 378 2HB TYR 50 1HB TYR 50 -3.221 -0.939 -0.939 379 HD1 TYR 50 HD2 TYR 50 -5.516 -3.000 -3.000 380 HD2 TYR 50 HD1 TYR 50 -4.149 -2.071 -2.071 381 HE1 TYR 50 HE2 TYR 50 -7.239 -4.592 -4.592 382 HE2 TYR 50 HE1 TYR 50 -5.876 -3.667 -3.667 383 HH TYR 50 HH TYR 50 -8.182 -5.328 -5.328 384 H CYS 51 H CYS 51 -4.346 1.558 1.558 385 HA CYS 51 HA CYS 51 -2.059 2.879 2.879 386 1HB CYS 51 2HB CYS 51 -4.576 3.931 3.931 387 2HB CYS 51 1HB CYS 51 -3.117 4.878 4.878 Start of MODEL 23 1 H ALA 1 H ALA 1 2.815 -11.837 -11.837 2 HA ALA 1 HA ALA 1 4.770 -10.764 -10.764 3 1HB ALA 1 1HB ALA 1 2.327 -12.261 -12.261 4 2HB ALA 1 2HB ALA 1 3.560 -11.743 -11.743 5 3HB ALA 1 3HB ALA 1 4.007 -12.827 -12.827 6 H THR 2 H THR 2 3.063 -8.553 -8.553 7 HA THR 2 HA THR 2 1.869 -7.292 -7.292 8 HB THR 2 HB THR 2 2.772 -5.663 -5.663 9 HG1 THR 2 1HG THR 2 1.867 -7.087 -7.087 10 1HG2 THR 2 3HG2 THR 2 0.786 -5.323 -5.323 11 2HG2 THR 2 1HG2 THR 2 -0.095 -6.357 -6.357 12 3HG2 THR 2 2HG2 THR 2 0.592 -4.807 -4.807 13 H TYR 3 H TYR 3 2.603 -5.694 -5.694 14 HA TYR 3 HA TYR 3 5.523 -5.375 -5.375 15 1HB TYR 3 2HB TYR 3 3.458 -4.852 -4.852 16 2HB TYR 3 1HB TYR 3 5.186 -5.045 -5.045 17 HD1 TYR 3 HD1 TYR 3 6.222 -7.268 -7.268 18 HD2 TYR 3 HD2 TYR 3 2.000 -6.793 -6.793 19 HE1 TYR 3 HE1 TYR 3 5.881 -9.747 -9.747 20 HE2 TYR 3 HE2 TYR 3 1.674 -9.274 -9.274 21 HH TYR 3 HH TYR 3 2.623 -11.166 -11.166 22 H ASN 4 H ASN 4 6.242 -3.449 -3.449 23 HA ASN 4 HA ASN 4 4.397 -1.271 -1.271 24 1HB ASN 4 2HB ASN 4 7.334 -0.959 -0.959 25 2HB ASN 4 1HB ASN 4 5.948 -0.279 -0.279 26 1HD2 ASN 4 2HD2 ASN 4 5.084 -3.531 -3.531 27 2HD2 ASN 4 1HD2 ASN 4 4.339 -2.366 -2.366 28 H GLY 5 H GLY 5 4.744 0.799 0.799 29 1HA GLY 5 1HA GLY 5 6.976 1.228 1.228 30 2HA GLY 5 2HA GLY 5 5.565 0.712 0.712 31 H LYS 6 H LYS 6 4.762 2.541 2.541 32 HA LYS 6 HA LYS 6 3.855 4.644 4.644 33 1HB LYS 6 2HB LYS 6 5.702 5.185 5.185 34 2HB LYS 6 1HB LYS 6 4.830 6.410 6.410 35 1HG LYS 6 2HG LYS 6 6.000 5.774 5.774 36 2HG LYS 6 1HG LYS 6 6.797 4.444 4.444 37 1HD LYS 6 2HD LYS 6 7.687 6.309 6.309 38 2HD LYS 6 1HD LYS 6 7.246 7.423 7.423 39 1HE LYS 6 2HE LYS 6 9.456 6.950 6.950 40 2HE LYS 6 1HE LYS 6 8.608 5.753 5.753 41 1HZ LYS 6 1HZ LYS 6 10.567 5.102 5.102 42 2HZ LYS 6 2HZ LYS 6 9.355 4.067 4.067 43 H CYS 7 H CYS 7 2.205 6.027 6.027 44 HA CYS 7 HA CYS 7 1.002 4.634 4.634 45 1HB CYS 7 2HB CYS 7 -1.178 5.632 5.632 46 2HB CYS 7 1HB CYS 7 -0.511 4.158 4.158 47 H TYR 8 H TYR 8 -0.558 6.235 6.235 48 HA TYR 8 HA TYR 8 0.534 8.957 8.957 49 1HB TYR 8 2HB TYR 8 -0.044 7.146 7.146 50 2HB TYR 8 1HB TYR 8 0.516 8.803 8.803 51 HD1 TYR 8 HD1 TYR 8 2.766 9.212 9.212 52 HD2 TYR 8 HD2 TYR 8 1.554 5.517 5.517 53 HE1 TYR 8 HE1 TYR 8 5.173 8.395 8.395 54 HE2 TYR 8 HE2 TYR 8 3.965 4.712 4.712 55 HH TYR 8 HH TYR 8 6.508 6.658 6.658 56 H LYS 9 H LYS 9 -1.017 10.526 10.526 57 HA LYS 9 HA LYS 9 -3.696 9.859 9.859 58 1HB LYS 9 2HB LYS 9 -2.059 12.270 12.270 59 2HB LYS 9 1HB LYS 9 -3.612 12.514 12.514 60 1HG LYS 9 2HG LYS 9 -4.745 11.546 11.546 61 2HG LYS 9 1HG LYS 9 -3.180 11.385 11.385 62 1HD LYS 9 2HD LYS 9 -2.927 13.685 13.685 63 2HD LYS 9 1HD LYS 9 -3.872 14.093 14.093 64 1HE LYS 9 2HE LYS 9 -5.662 12.738 12.738 65 2HE LYS 9 1HE LYS 9 -4.747 13.847 13.847 66 1HZ LYS 9 1HZ LYS 9 -5.914 15.539 15.539 67 2HZ LYS 9 2HZ LYS 9 -5.492 15.155 15.155 68 H LYS 10 H LYS 10 -2.236 11.706 11.706 69 HA LYS 10 HA LYS 10 -4.274 11.576 11.576 70 1HB LYS 10 2HB LYS 10 -1.812 12.504 12.504 71 2HB LYS 10 1HB LYS 10 -1.515 11.003 11.003 72 1HG LYS 10 2HG LYS 10 -3.300 11.503 11.503 73 2HG LYS 10 1HG LYS 10 -3.782 12.923 12.923 74 1HD LYS 10 2HD LYS 10 -2.436 13.842 13.842 75 2HD LYS 10 1HD LYS 10 -1.323 13.748 13.748 76 1HE LYS 10 2HE LYS 10 -0.789 11.328 11.328 77 2HE LYS 10 1HE LYS 10 -1.466 11.993 11.993 78 1HZ LYS 10 1HZ LYS 10 0.605 12.821 12.821 79 2HZ LYS 10 2HZ LYS 10 0.221 13.956 13.956 80 H ASP 11 H ASP 11 -1.590 9.172 9.172 81 HA ASP 11 HA ASP 11 -3.016 7.446 7.446 82 1HB ASP 11 2HB ASP 11 -0.742 7.050 7.050 83 2HB ASP 11 1HB ASP 11 -1.402 5.673 5.673 84 HD2 ASP 11 2HD ASP 11 0.889 5.649 5.649 85 H ASN 12 H ASN 12 -3.260 8.152 8.152 86 HA ASN 12 HA ASN 12 -4.238 7.180 7.180 87 1HB ASN 12 2HB ASN 12 -6.256 8.024 8.024 88 2HB ASN 12 1HB ASN 12 -6.228 6.855 6.855 89 1HD2 ASN 12 2HD2 ASN 12 -7.538 5.797 5.797 90 2HD2 ASN 12 1HD2 ASN 12 -6.451 7.121 7.121 91 H ILE 13 H ILE 13 -2.376 5.411 5.411 92 HA ILE 13 HA ILE 13 -3.724 2.828 2.828 93 HB ILE 13 HB ILE 13 -1.862 1.885 1.885 94 1HG1 ILE 13 2HG1 ILE 13 -0.727 3.533 3.533 95 2HG1 ILE 13 3HG1 ILE 13 -1.277 4.815 4.815 96 1HG2 ILE 13 3HG2 ILE 13 -4.270 3.042 3.042 97 2HG2 ILE 13 1HG2 ILE 13 -3.096 3.686 3.686 98 3HG2 ILE 13 2HG2 ILE 13 -3.274 1.927 1.927 99 1HD1 ILE 13 3HD1 ILE 13 0.044 2.542 2.542 100 2HD1 ILE 13 1HD1 ILE 13 1.099 3.475 3.475 101 3HD1 ILE 13 2HD1 ILE 13 0.241 4.295 4.295 102 H CYS 14 H CYS 14 -1.671 1.141 1.141 103 HA CYS 14 HA CYS 14 -0.355 2.394 2.394 104 1HB CYS 14 2HB CYS 14 -2.218 0.276 0.276 105 2HB CYS 14 1HB CYS 14 -0.657 -0.459 -0.459 106 H LYS 15 H LYS 15 1.761 2.664 2.664 107 HA LYS 15 HA LYS 15 2.913 0.617 0.617 108 1HB LYS 15 2HB LYS 15 3.030 3.101 3.101 109 2HB LYS 15 1HB LYS 15 4.124 3.263 3.263 110 1HG LYS 15 2HG LYS 15 4.651 1.180 1.180 111 2HG LYS 15 1HG LYS 15 5.117 2.849 2.849 112 1HD LYS 15 2HD LYS 15 5.950 1.976 1.976 113 2HD LYS 15 1HD LYS 15 6.551 0.863 0.863 114 1HE LYS 15 2HE LYS 15 7.103 3.254 3.254 115 2HE LYS 15 1HE LYS 15 7.238 3.741 3.741 116 1HZ LYS 15 1HZ LYS 15 8.786 1.629 1.629 117 2HZ LYS 15 2HZ LYS 15 9.360 2.933 2.933 118 H TYR 16 H TYR 16 4.444 -0.832 -0.832 119 HA TYR 16 HA TYR 16 5.951 -0.354 -0.354 120 1HB TYR 16 2HB TYR 16 4.968 -2.494 -2.494 121 2HB TYR 16 1HB TYR 16 3.829 -1.163 -1.163 122 HD1 TYR 16 HD1 TYR 16 2.397 -1.095 -1.095 123 HD2 TYR 16 HD2 TYR 16 4.218 -4.582 -4.582 124 HE1 TYR 16 HE1 TYR 16 0.759 -2.571 -2.571 125 HE2 TYR 16 HE2 TYR 16 2.574 -6.046 -6.046 126 HH TYR 16 HH TYR 16 -0.171 -4.713 -4.713 127 H LYS 17 H LYS 17 7.423 -2.285 -2.285 128 HA LYS 17 HA LYS 17 8.188 -3.432 -3.432 129 1HB LYS 17 2HB LYS 17 9.633 -2.182 -2.182 130 2HB LYS 17 1HB LYS 17 10.092 -3.873 -3.873 131 1HG LYS 17 2HG LYS 17 10.023 -2.254 -2.254 132 2HG LYS 17 1HG LYS 17 11.453 -2.353 -2.353 133 1HD LYS 17 2HD LYS 17 10.002 -4.766 -4.766 134 2HD LYS 17 1HD LYS 17 11.443 -4.039 -4.039 135 1HE LYS 17 2HE LYS 17 12.054 -4.478 -4.478 136 2HE LYS 17 1HE LYS 17 11.214 -5.924 -5.924 137 1HZ LYS 17 1HZ LYS 17 13.066 -5.140 -5.140 138 2HZ LYS 17 2HZ LYS 17 13.846 -5.240 -5.240 139 H ALA 18 H ALA 18 7.028 -5.288 -5.288 140 HA ALA 18 HA ALA 18 5.966 -6.940 -6.940 141 1HB ALA 18 1HB ALA 18 6.075 -6.860 -6.860 142 2HB ALA 18 2HB ALA 18 7.128 -8.260 -8.260 143 3HB ALA 18 3HB ALA 18 5.454 -8.251 -8.251 144 H GLN 19 H GLN 19 6.731 -9.381 -9.381 145 HA GLN 19 HA GLN 19 8.963 -9.267 -9.267 146 1HB GLN 19 2HB GLN 19 7.430 -10.991 -10.991 147 2HB GLN 19 1HB GLN 19 7.321 -11.507 -11.507 148 1HG GLN 19 2HG GLN 19 10.029 -11.708 -11.708 149 2HG GLN 19 1HG GLN 19 8.807 -12.821 -12.821 150 1HE2 GLN 19 2HE2 GLN 19 8.223 -14.220 -14.220 151 2HE2 GLN 19 1HE2 GLN 19 7.314 -13.450 -13.450 152 H SER 20 H SER 20 8.545 -10.315 -10.315 153 HA SER 20 HA SER 20 11.445 -10.595 -10.595 154 1HB SER 20 2HB SER 20 9.310 -12.284 -12.284 155 2HB SER 20 1HB SER 20 10.167 -11.676 -11.676 156 HG SER 20 HG SER 20 11.387 -13.419 -13.419 157 H GLY 21 H GLY 21 9.053 -8.391 -8.391 158 1HA GLY 21 1HA GLY 21 9.212 -6.388 -6.388 159 2HA GLY 21 2HA GLY 21 10.608 -6.962 -6.962 160 H LYS 22 H LYS 22 8.476 -9.479 -9.479 161 HA LYS 22 HA LYS 22 7.999 -9.103 -9.103 162 1HB LYS 22 2HB LYS 22 7.699 -11.148 -11.148 163 2HB LYS 22 1HB LYS 22 6.018 -10.678 -10.678 164 1HG LYS 22 2HG LYS 22 6.128 -10.873 -10.873 165 2HG LYS 22 1HG LYS 22 7.849 -11.201 -11.201 166 1HD LYS 22 2HD LYS 22 7.485 -13.406 -13.406 167 2HD LYS 22 1HD LYS 22 6.449 -13.047 -13.047 168 1HE LYS 22 2HE LYS 22 4.805 -13.967 -13.967 169 2HE LYS 22 1HE LYS 22 4.754 -12.377 -12.377 170 1HZ LYS 22 1HZ LYS 22 6.029 -14.814 -14.814 171 2HZ LYS 22 2HZ LYS 22 5.086 -13.745 -13.745 172 H THR 23 H THR 23 6.132 -8.011 -8.011 173 HA THR 23 HA THR 23 3.994 -7.027 -7.027 174 HB THR 23 HB THR 23 4.247 -7.958 -7.958 175 HG1 THR 23 1HG THR 23 2.211 -6.247 -6.247 176 1HG2 THR 23 2HG2 THR 23 4.865 -5.316 -5.316 177 2HG2 THR 23 3HG2 THR 23 3.091 -5.190 -5.190 178 3HG2 THR 23 1HG2 THR 23 3.858 -6.191 -6.191 179 H ALA 24 H ALA 24 3.253 -4.645 -4.645 180 HA ALA 24 HA ALA 24 4.987 -2.720 -2.720 181 1HB ALA 24 2HB ALA 24 5.373 -3.568 -3.568 182 2HB ALA 24 3HB ALA 24 5.487 -1.837 -1.837 183 3HB ALA 24 1HB ALA 24 6.570 -3.006 -3.006 184 H ILE 25 H ILE 25 3.486 -1.250 -1.250 185 HA ILE 25 HA ILE 25 1.700 0.045 0.045 186 HB ILE 25 HB ILE 25 1.886 -0.177 -0.177 187 1HG1 ILE 25 2HG1 ILE 25 3.142 1.888 1.888 188 2HG1 ILE 25 3HG1 ILE 25 4.005 0.523 0.523 189 1HG2 ILE 25 2HG2 ILE 25 0.111 1.304 1.304 190 2HG2 ILE 25 3HG2 ILE 25 0.960 2.341 2.341 191 3HG2 ILE 25 1HG2 ILE 25 -0.026 0.974 0.974 192 1HD1 ILE 25 1HD1 ILE 25 3.015 1.416 1.416 193 2HD1 ILE 25 2HD1 ILE 25 2.868 2.942 2.942 194 3HD1 ILE 25 3HD1 ILE 25 4.461 2.172 2.172 195 H CYS 26 H CYS 26 -0.547 -0.147 -0.147 196 HA CYS 26 HA CYS 26 -1.915 -2.183 -2.183 197 1HB CYS 26 2HB CYS 26 -1.057 -3.696 -3.696 198 2HB CYS 26 1HB CYS 26 -1.239 -2.576 -2.576 199 H LYS 27 H LYS 27 -3.883 -1.242 -1.242 200 HA LYS 27 HA LYS 27 -4.749 1.138 1.138 201 1HB LYS 27 2HB LYS 27 -6.664 -1.201 -1.201 202 2HB LYS 27 1HB LYS 27 -6.984 0.435 0.435 203 1HG LYS 27 2HG LYS 27 -5.323 -1.707 -1.707 204 2HG LYS 27 1HG LYS 27 -6.687 -0.814 -0.814 205 1HD LYS 27 2HD LYS 27 -5.025 1.279 1.279 206 2HD LYS 27 1HD LYS 27 -3.816 0.031 0.031 207 1HE LYS 27 2HE LYS 27 -5.400 -0.530 -0.530 208 2HE LYS 27 1HE LYS 27 -5.765 1.177 1.177 209 1HZ LYS 27 1HZ LYS 27 -3.760 0.584 0.584 210 2HZ LYS 27 2HZ LYS 27 -3.490 1.726 1.726 211 H CYS 28 H CYS 28 -5.754 2.300 2.300 212 HA CYS 28 HA CYS 28 -5.313 1.165 1.165 213 1HB CYS 28 2HB CYS 28 -5.622 3.850 3.850 214 2HB CYS 28 1HB CYS 28 -6.435 3.648 3.648 215 H TYR 29 H TYR 29 -7.278 2.069 2.069 216 HA TYR 29 HA TYR 29 -9.881 2.056 2.056 217 1HB TYR 29 2HB TYR 29 -9.362 -0.293 -0.293 218 2HB TYR 29 1HB TYR 29 -8.635 -0.606 -0.606 219 HD1 TYR 29 HD2 TYR 29 -11.934 0.787 0.787 220 HD2 TYR 29 HD1 TYR 29 -9.884 -2.056 -2.056 221 HE1 TYR 29 HE2 TYR 29 -14.161 -0.080 -0.080 222 HE2 TYR 29 HE1 TYR 29 -12.118 -2.913 -2.913 223 HH TYR 29 HH TYR 29 -14.425 -2.988 -2.988 224 H VAL 30 H VAL 30 -11.506 1.795 1.795 225 HA VAL 30 HA VAL 30 -12.190 2.096 2.096 226 HB VAL 30 HB VAL 30 -9.397 1.564 1.564 227 1HG1 VAL 30 2HG1 VAL 30 -11.300 2.345 2.345 228 2HG1 VAL 30 3HG1 VAL 30 -12.032 0.749 0.749 229 3HG1 VAL 30 1HG1 VAL 30 -10.429 0.867 0.867 230 1HG2 VAL 30 2HG2 VAL 30 -11.435 -0.402 -0.402 231 2HG2 VAL 30 3HG2 VAL 30 -9.711 -0.249 -0.249 232 3HG2 VAL 30 1HG2 VAL 30 -10.190 -0.872 -0.872 233 H LYS 31 H LYS 31 -8.758 3.255 3.255 234 HA LYS 31 HA LYS 31 -9.865 5.961 5.961 235 1HB LYS 31 2HB LYS 31 -8.325 4.393 4.393 236 2HB LYS 31 1HB LYS 31 -7.492 5.877 5.877 237 1HG LYS 31 2HG LYS 31 -9.220 7.249 7.249 238 2HG LYS 31 1HG LYS 31 -10.453 6.029 6.029 239 1HD LYS 31 2HD LYS 31 -8.757 4.808 4.808 240 2HD LYS 31 1HD LYS 31 -8.705 6.490 6.490 241 1HE LYS 31 2HE LYS 31 -11.343 5.071 5.071 242 2HE LYS 31 1HE LYS 31 -10.584 5.011 5.011 243 1HZ LYS 31 1HZ LYS 31 -11.320 7.080 7.080 244 2HZ LYS 31 2HZ LYS 31 -10.660 7.691 7.691 245 H LYS 32 H LYS 32 -9.435 6.722 6.722 246 HA LYS 32 HA LYS 32 -7.455 6.050 6.050 247 1HB LYS 32 2HB LYS 32 -8.209 7.775 7.775 248 2HB LYS 32 1HB LYS 32 -9.409 7.944 7.944 249 1HG LYS 32 2HG LYS 32 -6.710 9.375 9.375 250 2HG LYS 32 1HG LYS 32 -8.198 10.097 10.097 251 1HD LYS 32 2HD LYS 32 -7.893 8.963 8.963 252 2HD LYS 32 1HD LYS 32 -7.564 10.639 10.639 253 1HE LYS 32 2HE LYS 32 -10.084 10.179 10.179 254 2HE LYS 32 1HE LYS 32 -10.157 9.275 9.275 255 1HZ LYS 32 1HZ LYS 32 -8.964 11.819 11.819 256 2HZ LYS 32 2HZ LYS 32 -10.417 12.012 12.012 257 H CYS 33 H CYS 33 -5.395 7.202 7.202 258 HA CYS 33 HA CYS 33 -3.644 7.150 7.150 259 1HB CYS 33 2HB CYS 33 -2.839 6.642 6.642 260 2HB CYS 33 1HB CYS 33 -3.373 8.180 8.180 261 HA PRO 34 HA PRO 34 -4.234 11.224 11.224 262 1HB PRO 34 2HB PRO 34 -2.135 11.373 11.373 263 2HB PRO 34 1HB PRO 34 -3.661 10.610 10.610 264 1HG PRO 34 2HG PRO 34 -1.069 9.345 9.345 265 2HG PRO 34 1HG PRO 34 -2.462 8.645 8.645 266 1HD PRO 34 2HD PRO 34 -1.657 8.226 8.226 267 2HD PRO 34 1HD PRO 34 -3.111 7.620 7.620 268 H ARG 35 H ARG 35 -1.152 10.248 10.248 269 HA ARG 35 HA ARG 35 -1.001 12.322 12.322 270 1HB ARG 35 2HB ARG 35 0.930 13.651 13.651 271 2HB ARG 35 1HB ARG 35 -0.727 14.014 14.014 272 1HG ARG 35 2HG ARG 35 -0.444 12.228 12.228 273 2HG ARG 35 1HG ARG 35 1.274 12.312 12.312 274 1HD ARG 35 2HD ARG 35 1.078 13.930 13.930 275 2HD ARG 35 1HD ARG 35 0.931 14.931 14.931 276 HE ARG 35 HE ARG 35 -1.613 13.867 13.867 277 1HH1 ARG 35 2HH2 ARG 35 0.646 16.596 16.596 278 2HH1 ARG 35 1HH2 ARG 35 -0.533 17.749 17.749 279 HH2 ARG 35 1HH ARG 35 -2.769 17.016 17.016 280 H ASP 36 H ASP 36 0.890 12.100 12.100 281 HA ASP 36 HA ASP 36 2.022 9.730 9.730 282 1HB ASP 36 2HB ASP 36 2.513 11.255 11.255 283 2HB ASP 36 1HB ASP 36 3.022 12.510 12.510 284 HD1 ASP 36 2HD ASP 36 6.271 11.519 11.519 285 H GLY 37 H GLY 37 3.819 8.583 8.583 286 1HA GLY 37 1HA GLY 37 5.752 8.341 8.341 287 2HA GLY 37 2HA GLY 37 5.565 9.959 9.959 288 H ALA 38 H ALA 38 2.575 9.356 9.356 289 HA ALA 38 HA ALA 38 2.706 8.850 8.850 290 1HB ALA 38 2HB ALA 38 0.588 8.395 8.395 291 2HB ALA 38 3HB ALA 38 0.279 7.957 7.957 292 3HB ALA 38 1HB ALA 38 0.665 9.641 9.641 293 H LYS 39 H LYS 39 3.464 7.167 7.167 294 HA LYS 39 HA LYS 39 4.176 4.739 4.739 295 1HB LYS 39 2HB LYS 39 5.228 5.700 5.700 296 2HB LYS 39 1HB LYS 39 3.757 5.422 5.422 297 1HG LYS 39 2HG LYS 39 4.685 3.007 3.007 298 2HG LYS 39 1HG LYS 39 5.867 3.608 3.608 299 1HD LYS 39 2HD LYS 39 2.943 2.995 2.995 300 2HD LYS 39 1HD LYS 39 4.306 1.975 1.975 301 1HE LYS 39 2HE LYS 39 4.518 3.139 3.139 302 2HE LYS 39 1HE LYS 39 5.000 4.538 4.538 303 1HZ LYS 39 1HZ LYS 39 2.489 4.917 4.917 304 2HZ LYS 39 2HZ LYS 39 2.283 3.863 3.863 305 H CYS 40 H CYS 40 3.262 2.619 2.619 306 HA CYS 40 HA CYS 40 0.636 2.389 2.389 307 1HB CYS 40 2HB CYS 40 0.105 1.323 1.323 308 2HB CYS 40 1HB CYS 40 -0.509 2.836 2.836 309 H GLU 41 H GLU 41 -0.127 -0.025 -0.025 310 HA GLU 41 HA GLU 41 2.165 -1.739 -1.739 311 1HB GLU 41 2HB GLU 41 0.860 -2.957 -2.957 312 2HB GLU 41 1HB GLU 41 2.407 -2.137 -2.137 313 1HG GLU 41 2HG GLU 41 -0.244 -0.660 -0.660 314 2HG GLU 41 1HG GLU 41 0.634 -1.317 -1.317 315 HE1 GLU 41 2HE GLU 41 3.261 -0.061 -0.061 316 H PHE 42 H PHE 42 1.622 -3.481 -3.481 317 HA PHE 42 HA PHE 42 -1.210 -3.822 -3.822 318 1HB PHE 42 2HB PHE 42 0.423 -3.557 -3.557 319 2HB PHE 42 1HB PHE 42 1.436 -4.826 -4.826 320 HD1 PHE 42 2HD PHE 42 -2.243 -4.681 -4.681 321 HD2 PHE 42 1HD PHE 42 1.452 -6.582 -6.582 322 HE1 PHE 42 2HE PHE 42 -3.443 -6.374 -6.374 323 HE2 PHE 42 1HE PHE 42 0.252 -8.275 -8.275 324 HZ PHE 42 HZ PHE 42 -2.181 -8.151 -8.151 325 H ASP 43 H ASP 43 -2.346 -5.343 -5.343 326 HA ASP 43 HA ASP 43 -0.982 -7.286 -7.286 327 1HB ASP 43 2HB ASP 43 -3.292 -6.146 -6.146 328 2HB ASP 43 1HB ASP 43 -3.942 -7.308 -7.308 329 HD1 ASP 43 2HD ASP 43 -1.742 -7.679 -7.679 330 H SER 44 H SER 44 -0.611 -9.480 -9.480 331 HA SER 44 HA SER 44 -1.440 -10.219 -10.219 332 1HB SER 44 2HB SER 44 0.495 -11.472 -11.472 333 2HB SER 44 1HB SER 44 1.044 -10.271 -10.271 334 HG SER 44 HG SER 44 1.514 -12.531 -12.531 335 H TYR 45 H TYR 45 -3.015 -10.301 -10.301 336 HA TYR 45 HA TYR 45 -3.542 -13.193 -13.193 337 1HB TYR 45 2HB TYR 45 -4.653 -11.221 -11.221 338 2HB TYR 45 1HB TYR 45 -4.020 -12.828 -12.828 339 HD1 TYR 45 HD1 TYR 45 -1.308 -12.455 -12.455 340 HD2 TYR 45 HD2 TYR 45 -3.489 -10.010 -10.010 341 HE1 TYR 45 HE1 TYR 45 0.868 -11.439 -11.439 342 HE2 TYR 45 HE2 TYR 45 -1.304 -9.003 -9.003 343 HH TYR 45 HH TYR 45 1.748 -10.337 -10.337 344 H LYS 46 H LYS 46 -4.737 -10.108 -10.108 345 HA LYS 46 HA LYS 46 -7.377 -11.327 -11.327 346 1HB LYS 46 2HB LYS 46 -6.930 -8.409 -8.409 347 2HB LYS 46 1HB LYS 46 -8.461 -9.244 -9.244 348 1HG LYS 46 2HG LYS 46 -7.035 -10.778 -10.778 349 2HG LYS 46 1HG LYS 46 -6.662 -9.117 -9.117 350 1HD LYS 46 2HD LYS 46 -8.866 -8.599 -8.599 351 2HD LYS 46 1HD LYS 46 -9.535 -9.718 -9.718 352 1HE LYS 46 2HE LYS 46 -10.013 -10.918 -10.918 353 2HE LYS 46 1HE LYS 46 -8.404 -11.546 -11.546 354 1HZ LYS 46 1HZ LYS 46 -9.236 -10.161 -10.161 355 2HZ LYS 46 2HZ LYS 46 -7.708 -10.604 -10.604 356 H GLY 47 H GLY 47 -5.093 -8.692 -8.692 357 1HA GLY 47 1HA GLY 47 -4.302 -8.617 -8.617 358 2HA GLY 47 2HA GLY 47 -5.819 -9.298 -9.298 359 H LYS 48 H LYS 48 -5.817 -6.830 -6.830 360 HA LYS 48 HA LYS 48 -6.987 -4.973 -4.973 361 1HB LYS 48 2HB LYS 48 -7.466 -5.419 -5.419 362 2HB LYS 48 1HB LYS 48 -7.931 -3.923 -3.923 363 1HG LYS 48 2HG LYS 48 -9.871 -5.018 -5.018 364 2HG LYS 48 1HG LYS 48 -8.940 -5.768 -5.768 365 1HD LYS 48 2HD LYS 48 -9.903 -7.616 -7.616 366 2HD LYS 48 1HD LYS 48 -8.270 -7.562 -7.562 367 1HE LYS 48 2HE LYS 48 -9.933 -7.862 -7.862 368 2HE LYS 48 1HE LYS 48 -9.046 -6.363 -6.363 369 1HZ LYS 48 1HZ LYS 48 -11.534 -6.182 -6.182 370 2HZ LYS 48 2HZ LYS 48 -10.899 -5.136 -5.136 371 H CYS 49 H CYS 49 -6.683 -2.554 -2.554 372 HA CYS 49 HA CYS 49 -3.808 -2.321 -2.321 373 1HB CYS 49 2HB CYS 49 -3.881 -1.201 -1.201 374 2HB CYS 49 1HB CYS 49 -5.621 -1.001 -1.001 375 H TYR 50 H TYR 50 -3.645 -2.085 -2.085 376 HA TYR 50 HA TYR 50 -5.663 -0.692 -0.692 377 1HB TYR 50 2HB TYR 50 -3.015 -2.126 -2.126 378 2HB TYR 50 1HB TYR 50 -3.475 -1.017 -1.017 379 HD1 TYR 50 HD2 TYR 50 -6.204 -2.657 -2.657 380 HD2 TYR 50 HD1 TYR 50 -3.473 -3.012 -3.012 381 HE1 TYR 50 HE2 TYR 50 -7.671 -4.455 -4.455 382 HE2 TYR 50 HE1 TYR 50 -4.950 -4.809 -4.809 383 HH TYR 50 HH TYR 50 -7.330 -5.445 -5.445 384 H CYS 51 H CYS 51 -5.061 1.191 1.191 385 HA CYS 51 HA CYS 51 -2.813 2.754 2.754 386 1HB CYS 51 2HB CYS 51 -5.181 3.915 3.915 387 2HB CYS 51 1HB CYS 51 -3.472 4.212 4.212 Start of MODEL 24 1 H ALA 1 H ALA 1 1.942 -11.692 -11.692 2 HA ALA 1 HA ALA 1 4.401 -10.848 -10.848 3 1HB ALA 1 2HB ALA 1 2.164 -12.572 -12.572 4 2HB ALA 1 3HB ALA 1 2.901 -11.761 -11.761 5 3HB ALA 1 1HB ALA 1 3.905 -12.756 -12.756 6 H THR 2 H THR 2 2.454 -8.639 -8.639 7 HA THR 2 HA THR 2 1.492 -7.397 -7.397 8 HB THR 2 HB THR 2 2.447 -5.764 -5.764 9 HG1 THR 2 1HG THR 2 0.302 -7.762 -7.762 10 1HG2 THR 2 1HG2 THR 2 0.694 -5.115 -5.115 11 2HG2 THR 2 2HG2 THR 2 -0.404 -6.189 -6.189 12 3HG2 THR 2 3HG2 THR 2 0.295 -4.760 -4.760 13 H TYR 3 H TYR 3 2.277 -5.715 -5.715 14 HA TYR 3 HA TYR 3 5.214 -5.517 -5.517 15 1HB TYR 3 2HB TYR 3 3.118 -5.354 -5.354 16 2HB TYR 3 1HB TYR 3 4.841 -5.162 -5.162 17 HD1 TYR 3 HD2 TYR 3 2.156 -7.566 -7.566 18 HD2 TYR 3 HD1 TYR 3 6.339 -7.083 -7.083 19 HE1 TYR 3 HE2 TYR 3 2.391 -10.074 -10.074 20 HE2 TYR 3 HE1 TYR 3 6.560 -9.592 -9.592 21 HH TYR 3 HH TYR 3 5.426 -11.464 -11.464 22 H ASN 4 H ASN 4 5.942 -3.537 -3.537 23 HA ASN 4 HA ASN 4 4.097 -1.352 -1.352 24 1HB ASN 4 2HB ASN 4 7.012 -0.989 -0.989 25 2HB ASN 4 1HB ASN 4 5.601 -0.262 -0.262 26 1HD2 ASN 4 2HD2 ASN 4 4.758 -3.624 -3.624 27 2HD2 ASN 4 1HD2 ASN 4 4.067 -2.656 -2.656 28 H GLY 5 H GLY 5 4.638 0.716 0.716 29 1HA GLY 5 1HA GLY 5 6.874 0.910 0.910 30 2HA GLY 5 2HA GLY 5 5.433 0.442 0.442 31 H LYS 6 H LYS 6 4.607 2.223 2.223 32 HA LYS 6 HA LYS 6 3.947 4.497 4.497 33 1HB LYS 6 2HB LYS 6 5.669 4.759 4.759 34 2HB LYS 6 1HB LYS 6 4.928 6.096 6.096 35 1HG LYS 6 2HG LYS 6 6.181 5.510 5.510 36 2HG LYS 6 1HG LYS 6 6.872 4.108 4.108 37 1HD LYS 6 2HD LYS 6 7.653 5.942 5.942 38 2HD LYS 6 1HD LYS 6 7.474 7.032 7.032 39 1HE LYS 6 2HE LYS 6 9.019 4.442 4.442 40 2HE LYS 6 1HE LYS 6 9.792 5.823 5.823 41 1HZ LYS 6 1HZ LYS 6 10.227 6.089 6.089 42 2HZ LYS 6 2HZ LYS 6 8.959 7.090 7.090 43 H CYS 7 H CYS 7 2.399 5.986 5.986 44 HA CYS 7 HA CYS 7 1.044 4.618 4.618 45 1HB CYS 7 2HB CYS 7 -1.146 5.313 5.313 46 2HB CYS 7 1HB CYS 7 -0.315 3.912 3.912 47 H TYR 8 H TYR 8 -0.482 6.203 6.203 48 HA TYR 8 HA TYR 8 0.407 8.977 8.977 49 1HB TYR 8 2HB TYR 8 -0.140 7.449 7.449 50 2HB TYR 8 1HB TYR 8 0.480 9.084 9.084 51 HD1 TYR 8 HD2 TYR 8 1.358 5.615 5.615 52 HD2 TYR 8 HD1 TYR 8 2.768 9.414 9.414 53 HE1 TYR 8 HE2 TYR 8 3.738 4.724 4.724 54 HE2 TYR 8 HE1 TYR 8 5.144 8.510 8.510 55 HH TYR 8 HH TYR 8 6.131 5.972 5.972 56 H LYS 9 H LYS 9 -1.252 10.401 10.401 57 HA LYS 9 HA LYS 9 -3.880 9.561 9.561 58 1HB LYS 9 2HB LYS 9 -4.370 12.053 12.053 59 2HB LYS 9 1HB LYS 9 -3.294 11.513 11.513 60 1HG LYS 9 2HG LYS 9 -1.811 13.063 13.063 61 2HG LYS 9 1HG LYS 9 -1.536 12.010 12.010 62 1HD LYS 9 2HD LYS 9 -2.129 14.362 14.362 63 2HD LYS 9 1HD LYS 9 -3.227 13.166 13.166 64 1HE LYS 9 2HE LYS 9 -5.000 13.816 13.816 65 2HE LYS 9 1HE LYS 9 -3.948 14.344 14.344 66 1HZ LYS 9 1HZ LYS 9 -3.487 15.948 15.948 67 2HZ LYS 9 2HZ LYS 9 -5.085 15.942 15.942 68 H LYS 10 H LYS 10 -2.254 11.491 11.491 69 HA LYS 10 HA LYS 10 -4.302 11.679 11.679 70 1HB LYS 10 2HB LYS 10 -1.772 12.417 12.417 71 2HB LYS 10 1HB LYS 10 -1.581 10.955 10.955 72 1HG LYS 10 2HG LYS 10 -2.248 12.209 12.209 73 2HG LYS 10 1HG LYS 10 -3.868 12.054 12.054 74 1HD LYS 10 2HD LYS 10 -3.168 14.145 14.145 75 2HD LYS 10 1HD LYS 10 -1.938 14.373 14.373 76 1HE LYS 10 2HE LYS 10 -3.869 15.681 15.681 77 2HE LYS 10 1HE LYS 10 -3.758 14.323 14.323 78 1HZ LYS 10 1HZ LYS 10 -5.589 14.530 14.530 79 2HZ LYS 10 2HZ LYS 10 -6.018 14.512 14.512 80 H ASP 11 H ASP 11 -1.811 9.097 9.097 81 HA ASP 11 HA ASP 11 -3.508 7.588 7.588 82 1HB ASP 11 2HB ASP 11 -0.860 7.296 7.296 83 2HB ASP 11 1HB ASP 11 -1.700 5.765 5.765 84 HD1 ASP 11 2HD ASP 11 -2.092 5.995 5.995 85 H ASN 12 H ASN 12 -3.466 8.160 8.160 86 HA ASN 12 HA ASN 12 -4.208 7.095 7.095 87 1HB ASN 12 2HB ASN 12 -6.291 7.920 7.920 88 2HB ASN 12 1HB ASN 12 -6.480 6.310 6.310 89 1HD2 ASN 12 2HD2 ASN 12 -8.700 5.914 5.914 90 2HD2 ASN 12 1HD2 ASN 12 -8.541 6.329 6.329 91 H ILE 13 H ILE 13 -2.372 5.392 5.392 92 HA ILE 13 HA ILE 13 -3.616 2.770 2.770 93 HB ILE 13 HB ILE 13 -1.741 1.960 1.960 94 1HG1 ILE 13 2HG1 ILE 13 -1.197 3.901 3.901 95 2HG1 ILE 13 3HG1 ILE 13 -1.445 4.926 4.926 96 1HG2 ILE 13 2HG2 ILE 13 -4.338 2.748 2.748 97 2HG2 ILE 13 3HG2 ILE 13 -3.412 3.579 3.579 98 3HG2 ILE 13 1HG2 ILE 13 -3.294 1.812 1.812 99 1HD1 ILE 13 3HD1 ILE 13 0.168 3.344 3.344 100 2HD1 ILE 13 1HD1 ILE 13 0.580 2.682 2.682 101 3HD1 ILE 13 2HD1 ILE 13 0.885 4.399 4.399 102 H CYS 14 H CYS 14 -1.923 1.069 1.069 103 HA CYS 14 HA CYS 14 -0.147 2.376 2.376 104 1HB CYS 14 2HB CYS 14 -1.565 1.381 1.381 105 2HB CYS 14 1HB CYS 14 -2.091 0.171 0.171 106 H LYS 15 H LYS 15 1.973 2.098 2.098 107 HA LYS 15 HA LYS 15 2.595 -0.197 -0.197 108 1HB LYS 15 2HB LYS 15 3.924 2.475 2.475 109 2HB LYS 15 1HB LYS 15 4.776 1.149 1.149 110 1HG LYS 15 2HG LYS 15 2.781 0.967 0.967 111 2HG LYS 15 1HG LYS 15 2.204 2.480 2.480 112 1HD LYS 15 2HD LYS 15 4.413 3.549 3.549 113 2HD LYS 15 1HD LYS 15 4.913 2.043 2.043 114 1HE LYS 15 2HE LYS 15 3.714 2.466 2.466 115 2HE LYS 15 1HE LYS 15 2.269 2.851 2.851 116 1HZ LYS 15 1HZ LYS 15 4.383 4.666 4.666 117 2HZ LYS 15 2HZ LYS 15 2.772 4.900 4.900 118 H TYR 16 H TYR 16 4.035 -1.795 -1.795 119 HA TYR 16 HA TYR 16 5.634 -1.450 -1.450 120 1HB TYR 16 2HB TYR 16 4.457 -3.321 -3.321 121 2HB TYR 16 1HB TYR 16 3.324 -2.025 -2.025 122 HD1 TYR 16 HD1 TYR 16 1.848 -2.240 -2.240 123 HD2 TYR 16 HD2 TYR 16 3.988 -5.511 -5.511 124 HE1 TYR 16 HE1 TYR 16 0.316 -3.885 -3.885 125 HE2 TYR 16 HE2 TYR 16 2.449 -7.144 -7.144 126 HH TYR 16 HH TYR 16 0.688 -6.438 -6.438 127 H LYS 17 H LYS 17 6.968 -3.452 -3.452 128 HA LYS 17 HA LYS 17 7.984 -4.417 -4.417 129 1HB LYS 17 2HB LYS 17 8.517 -5.077 -5.077 130 2HB LYS 17 1HB LYS 17 9.339 -5.905 -5.905 131 1HG LYS 17 2HG LYS 17 9.284 -2.916 -2.916 132 2HG LYS 17 1HG LYS 17 10.241 -3.577 -3.577 133 1HD LYS 17 2HD LYS 17 11.612 -4.871 -4.871 134 2HD LYS 17 1HD LYS 17 10.520 -4.585 -4.585 135 1HE LYS 17 2HE LYS 17 11.207 -1.992 -1.992 136 2HE LYS 17 1HE LYS 17 12.704 -2.895 -2.895 137 1HZ LYS 17 1HZ LYS 17 12.266 -1.886 -1.886 138 2HZ LYS 17 2HZ LYS 17 12.530 -3.492 -3.492 139 H ALA 18 H ALA 18 8.218 -6.784 -6.784 140 HA ALA 18 HA ALA 18 5.759 -8.214 -8.214 141 1HB ALA 18 2HB ALA 18 6.602 -7.262 -7.262 142 2HB ALA 18 3HB ALA 18 6.783 -9.033 -9.033 143 3HB ALA 18 1HB ALA 18 5.208 -8.303 -8.303 144 H GLN 19 H GLN 19 8.169 -8.367 -8.367 145 HA GLN 19 HA GLN 19 9.447 -9.874 -9.874 146 1HB GLN 19 2HB GLN 19 7.855 -11.582 -11.582 147 2HB GLN 19 1HB GLN 19 7.705 -11.660 -11.660 148 1HG GLN 19 2HG GLN 19 9.732 -12.898 -12.898 149 2HG GLN 19 1HG GLN 19 10.314 -12.443 -12.443 150 1HE2 GLN 19 2HE2 GLN 19 9.339 -15.555 -15.555 151 2HE2 GLN 19 1HE2 GLN 19 10.593 -14.400 -14.400 152 H SER 20 H SER 20 9.173 -10.726 -10.726 153 HA SER 20 HA SER 20 11.977 -11.229 -11.229 154 1HB SER 20 2HB SER 20 9.660 -11.838 -11.838 155 2HB SER 20 1HB SER 20 10.831 -11.037 -11.037 156 HG SER 20 HG SER 20 12.399 -12.659 -12.659 157 H GLY 21 H GLY 21 10.380 -8.425 -8.425 158 1HA GLY 21 1HA GLY 21 11.206 -6.307 -6.307 159 2HA GLY 21 2HA GLY 21 12.423 -6.890 -6.890 160 H LYS 22 H LYS 22 9.851 -8.405 -8.405 161 HA LYS 22 HA LYS 22 9.621 -6.979 -6.979 162 1HB LYS 22 2HB LYS 22 7.906 -8.921 -8.921 163 2HB LYS 22 1HB LYS 22 7.094 -7.970 -7.970 164 1HG LYS 22 2HG LYS 22 9.104 -8.575 -8.575 165 2HG LYS 22 1HG LYS 22 9.517 -9.779 -9.779 166 1HD LYS 22 2HD LYS 22 6.802 -10.245 -10.245 167 2HD LYS 22 1HD LYS 22 7.269 -9.746 -9.746 168 1HE LYS 22 2HE LYS 22 8.082 -11.835 -11.835 169 2HE LYS 22 1HE LYS 22 9.333 -11.504 -11.504 170 1HZ LYS 22 1HZ LYS 22 6.893 -13.045 -13.045 171 2HZ LYS 22 2HZ LYS 22 8.333 -13.234 -13.234 172 H THR 23 H THR 23 8.260 -6.191 -6.191 173 HA THR 23 HA THR 23 6.937 -4.526 -4.526 174 HB THR 23 HB THR 23 9.047 -3.440 -3.440 175 HG1 THR 23 1HG THR 23 9.573 -3.171 -3.171 176 1HG2 THR 23 1HG2 THR 23 6.584 -1.811 -1.811 177 2HG2 THR 23 2HG2 THR 23 8.162 -1.071 -1.071 178 3HG2 THR 23 3HG2 THR 23 7.288 -1.966 -1.966 179 H ALA 24 H ALA 24 4.819 -4.955 -4.955 180 HA ALA 24 HA ALA 24 3.779 -4.271 -4.271 181 1HB ALA 24 2HB ALA 24 3.291 -6.423 -6.423 182 2HB ALA 24 3HB ALA 24 1.789 -5.616 -5.616 183 3HB ALA 24 1HB ALA 24 2.876 -6.329 -6.329 184 H ILE 25 H ILE 25 1.304 -3.541 -3.541 185 HA ILE 25 HA ILE 25 1.317 -1.452 -1.452 186 HB ILE 25 HB ILE 25 -0.140 -1.331 -1.331 187 1HG1 ILE 25 2HG1 ILE 25 2.664 -0.355 -0.355 188 2HG1 ILE 25 3HG1 ILE 25 2.226 -1.623 -1.623 189 1HG2 ILE 25 3HG2 ILE 25 0.639 0.741 0.741 190 2HG2 ILE 25 1HG2 ILE 25 -0.050 1.116 1.116 191 3HG2 ILE 25 2HG2 ILE 25 -0.999 0.182 0.182 192 1HD1 ILE 25 3HD1 ILE 25 0.789 0.113 0.113 193 2HD1 ILE 25 1HD1 ILE 25 1.563 1.342 1.342 194 3HD1 ILE 25 2HD1 ILE 25 2.549 0.365 0.365 195 H CYS 26 H CYS 26 -0.821 -0.868 -0.868 196 HA CYS 26 HA CYS 26 -2.805 -2.973 -2.973 197 1HB CYS 26 2HB CYS 26 -1.597 -3.730 -3.730 198 2HB CYS 26 1HB CYS 26 -1.573 -2.129 -2.129 199 H LYS 27 H LYS 27 -4.415 -1.694 -1.694 200 HA LYS 27 HA LYS 27 -4.763 0.957 0.957 201 1HB LYS 27 2HB LYS 27 -7.073 -0.997 -0.997 202 2HB LYS 27 1HB LYS 27 -7.046 0.603 0.603 203 1HG LYS 27 2HG LYS 27 -4.922 -0.545 -0.545 204 2HG LYS 27 1HG LYS 27 -5.918 -1.961 -1.961 205 1HD LYS 27 2HD LYS 27 -7.514 -1.280 -1.280 206 2HD LYS 27 1HD LYS 27 -7.477 0.378 0.378 207 1HE LYS 27 2HE LYS 27 -5.458 0.850 0.850 208 2HE LYS 27 1HE LYS 27 -5.293 -0.838 -0.838 209 1HZ LYS 27 1HZ LYS 27 -6.397 0.065 0.065 210 2HZ LYS 27 2HZ LYS 27 -7.667 -0.502 -0.502 211 H CYS 28 H CYS 28 -5.945 2.454 2.454 212 HA CYS 28 HA CYS 28 -5.823 1.734 1.734 213 1HB CYS 28 2HB CYS 28 -5.782 4.175 4.175 214 2HB CYS 28 1HB CYS 28 -6.915 4.302 4.302 215 H TYR 29 H TYR 29 -7.593 1.136 1.136 216 HA TYR 29 HA TYR 29 -10.244 1.613 1.613 217 1HB TYR 29 2HB TYR 29 -9.284 -0.787 -0.787 218 2HB TYR 29 1HB TYR 29 -9.176 -0.792 -0.792 219 HD1 TYR 29 HD2 TYR 29 -11.961 0.596 0.596 220 HD2 TYR 29 HD1 TYR 29 -10.675 -2.527 -2.527 221 HE1 TYR 29 HE2 TYR 29 -14.347 -0.271 -0.271 222 HE2 TYR 29 HE1 TYR 29 -13.064 -3.384 -3.384 223 HH TYR 29 HH TYR 29 -15.091 -3.300 -3.300 224 H VAL 30 H VAL 30 -11.982 1.920 1.920 225 HA VAL 30 HA VAL 30 -12.925 2.502 2.502 226 HB VAL 30 HB VAL 30 -10.418 1.893 1.893 227 1HG1 VAL 30 3HG1 VAL 30 -13.288 2.244 2.244 228 2HG1 VAL 30 1HG1 VAL 30 -12.560 0.821 0.821 229 3HG1 VAL 30 2HG1 VAL 30 -11.874 2.439 2.439 230 1HG2 VAL 30 2HG2 VAL 30 -12.004 0.011 0.011 231 2HG2 VAL 30 3HG2 VAL 30 -10.354 -0.138 -0.138 232 3HG2 VAL 30 1HG2 VAL 30 -11.756 -0.491 -0.491 233 H LYS 31 H LYS 31 -9.429 3.351 3.351 234 HA LYS 31 HA LYS 31 -10.279 6.162 6.162 235 1HB LYS 31 2HB LYS 31 -8.689 4.667 4.667 236 2HB LYS 31 1HB LYS 31 -8.225 6.319 6.319 237 1HG LYS 31 2HG LYS 31 -10.174 7.210 7.210 238 2HG LYS 31 1HG LYS 31 -11.161 5.861 5.861 239 1HD LYS 31 2HD LYS 31 -9.529 4.630 4.630 240 2HD LYS 31 1HD LYS 31 -9.671 6.236 6.236 241 1HE LYS 31 2HE LYS 31 -11.901 5.974 5.974 242 2HE LYS 31 1HE LYS 31 -12.245 5.133 5.133 243 1HZ LYS 31 1HZ LYS 31 -11.255 3.124 3.124 244 2HZ LYS 31 2HZ LYS 31 -10.885 3.901 3.901 245 H LYS 32 H LYS 32 -9.317 7.294 7.294 246 HA LYS 32 HA LYS 32 -7.420 6.114 6.114 247 1HB LYS 32 2HB LYS 32 -7.681 9.085 9.085 248 2HB LYS 32 1HB LYS 32 -7.633 8.006 8.006 249 1HG LYS 32 2HG LYS 32 -9.971 8.612 8.612 250 2HG LYS 32 1HG LYS 32 -9.897 8.743 8.743 251 1HD LYS 32 2HD LYS 32 -9.304 6.007 6.007 252 2HD LYS 32 1HD LYS 32 -10.727 6.481 6.481 253 1HE LYS 32 2HE LYS 32 -10.865 7.469 7.469 254 2HE LYS 32 1HE LYS 32 -10.629 5.733 5.733 255 1HZ LYS 32 1HZ LYS 32 -13.023 6.778 6.778 256 2HZ LYS 32 2HZ LYS 32 -12.644 5.414 5.414 257 H CYS 33 H CYS 33 -5.333 7.742 7.742 258 HA CYS 33 HA CYS 33 -3.709 7.290 7.290 259 1HB CYS 33 2HB CYS 33 -2.559 6.678 6.678 260 2HB CYS 33 1HB CYS 33 -3.241 7.955 7.955 261 HA PRO 34 HA PRO 34 -3.930 11.428 11.428 262 1HB PRO 34 2HB PRO 34 -1.710 11.563 11.563 263 2HB PRO 34 1HB PRO 34 -3.221 10.851 10.851 264 1HG PRO 34 2HG PRO 34 -0.715 9.501 9.501 265 2HG PRO 34 1HG PRO 34 -2.064 8.859 8.859 266 1HD PRO 34 2HD PRO 34 -1.467 8.352 8.352 267 2HD PRO 34 1HD PRO 34 -2.877 7.804 7.804 268 H ARG 35 H ARG 35 -0.771 10.431 10.431 269 HA ARG 35 HA ARG 35 -0.766 12.507 12.507 270 1HB ARG 35 2HB ARG 35 1.223 13.786 13.786 271 2HB ARG 35 1HB ARG 35 -0.266 14.011 14.011 272 1HG ARG 35 2HG ARG 35 0.784 11.798 11.798 273 2HG ARG 35 1HG ARG 35 2.250 12.638 12.638 274 1HD ARG 35 2HD ARG 35 1.842 14.429 14.429 275 2HD ARG 35 1HD ARG 35 0.109 14.372 14.372 276 HE ARG 35 HE ARG 35 -0.097 12.809 12.809 277 1HH1 ARG 35 2HH2 ARG 35 3.321 13.339 13.339 278 2HH1 ARG 35 1HH2 ARG 35 3.894 12.528 12.528 279 HH2 ARG 35 1HH ARG 35 2.311 11.596 11.596 280 H ASP 36 H ASP 36 1.094 12.319 12.319 281 HA ASP 36 HA ASP 36 1.972 9.862 9.862 282 1HB ASP 36 2HB ASP 36 2.823 11.076 11.076 283 2HB ASP 36 1HB ASP 36 2.714 12.550 12.550 284 HD2 ASP 36 2HD ASP 36 5.006 11.226 11.226 285 H GLY 37 H GLY 37 3.655 8.485 8.485 286 1HA GLY 37 1HA GLY 37 5.634 7.971 7.971 287 2HA GLY 37 2HA GLY 37 5.691 9.572 9.572 288 H ALA 38 H ALA 38 2.696 9.289 9.289 289 HA ALA 38 HA ALA 38 2.898 8.753 8.753 290 1HB ALA 38 1HB ALA 38 0.655 8.243 8.243 291 2HB ALA 38 2HB ALA 38 0.439 7.990 7.990 292 3HB ALA 38 3HB ALA 38 0.857 9.605 9.605 293 H LYS 39 H LYS 39 3.599 7.064 7.064 294 HA LYS 39 HA LYS 39 4.171 4.582 4.582 295 1HB LYS 39 2HB LYS 39 5.414 5.566 5.566 296 2HB LYS 39 1HB LYS 39 4.016 5.342 5.342 297 1HG LYS 39 2HG LYS 39 4.205 2.811 2.811 298 2HG LYS 39 1HG LYS 39 5.882 3.279 3.279 299 1HD LYS 39 2HD LYS 39 5.748 2.341 2.341 300 2HD LYS 39 1HD LYS 39 5.854 4.074 4.074 301 1HE LYS 39 2HE LYS 39 3.104 2.857 2.857 302 2HE LYS 39 1HE LYS 39 3.984 2.587 2.587 303 1HZ LYS 39 1HZ LYS 39 2.866 4.595 4.595 304 2HZ LYS 39 2HZ LYS 39 4.345 5.128 5.128 305 H CYS 40 H CYS 40 3.175 2.523 2.523 306 HA CYS 40 HA CYS 40 0.686 2.380 2.380 307 1HB CYS 40 2HB CYS 40 -0.421 3.233 3.233 308 2HB CYS 40 1HB CYS 40 0.757 2.647 2.647 309 H GLU 41 H GLU 41 -0.135 0.054 0.054 310 HA GLU 41 HA GLU 41 2.051 -1.735 -1.735 311 1HB GLU 41 2HB GLU 41 0.768 -3.061 -3.061 312 2HB GLU 41 1HB GLU 41 2.249 -2.138 -2.138 313 1HG GLU 41 2HG GLU 41 -0.488 -0.822 -0.822 314 2HG GLU 41 1HG GLU 41 0.296 -1.562 -1.562 315 HE2 GLU 41 2HE GLU 41 0.863 1.764 1.764 316 H PHE 42 H PHE 42 1.484 -3.515 -3.515 317 HA PHE 42 HA PHE 42 -1.347 -3.705 -3.705 318 1HB PHE 42 2HB PHE 42 0.181 -3.476 -3.476 319 2HB PHE 42 1HB PHE 42 1.334 -4.592 -4.592 320 HD1 PHE 42 2HD PHE 42 -2.164 -4.513 -4.513 321 HD2 PHE 42 1HD PHE 42 1.383 -6.779 -6.779 322 HE1 PHE 42 2HE PHE 42 -3.158 -6.387 -6.387 323 HE2 PHE 42 1HE PHE 42 0.389 -8.653 -8.653 324 HZ PHE 42 HZ PHE 42 -1.869 -8.435 -8.435 325 H ASP 43 H ASP 43 -2.537 -5.188 -5.188 326 HA ASP 43 HA ASP 43 -1.347 -7.166 -7.166 327 1HB ASP 43 2HB ASP 43 -3.704 -6.098 -6.098 328 2HB ASP 43 1HB ASP 43 -4.197 -7.213 -7.213 329 HD1 ASP 43 2HD ASP 43 -3.558 -6.833 -6.833 330 H SER 44 H SER 44 -0.785 -9.311 -9.311 331 HA SER 44 HA SER 44 -1.233 -10.055 -10.055 332 1HB SER 44 2HB SER 44 0.749 -11.193 -11.193 333 2HB SER 44 1HB SER 44 1.036 -10.156 -10.156 334 HG SER 44 HG SER 44 0.874 -11.835 -11.835 335 H TYR 45 H TYR 45 -3.143 -10.192 -10.192 336 HA TYR 45 HA TYR 45 -3.730 -13.066 -13.066 337 1HB TYR 45 2HB TYR 45 -5.061 -11.218 -11.218 338 2HB TYR 45 1HB TYR 45 -4.410 -12.820 -12.820 339 HD1 TYR 45 HD1 TYR 45 -1.582 -12.379 -12.379 340 HD2 TYR 45 HD2 TYR 45 -4.121 -9.985 -9.985 341 HE1 TYR 45 HE1 TYR 45 0.460 -11.349 -11.349 342 HE2 TYR 45 HE2 TYR 45 -2.071 -8.963 -8.963 343 HH TYR 45 HH TYR 45 0.233 -9.534 -9.534 344 H LYS 46 H LYS 46 -4.866 -9.798 -9.798 345 HA LYS 46 HA LYS 46 -7.409 -10.971 -10.971 346 1HB LYS 46 2HB LYS 46 -7.109 -8.105 -8.105 347 2HB LYS 46 1HB LYS 46 -8.577 -9.031 -9.031 348 1HG LYS 46 2HG LYS 46 -7.146 -10.557 -10.557 349 2HG LYS 46 1HG LYS 46 -6.804 -8.905 -8.905 350 1HD LYS 46 2HD LYS 46 -9.556 -10.176 -10.176 351 2HD LYS 46 1HD LYS 46 -8.828 -9.645 -9.645 352 1HE LYS 46 2HE LYS 46 -8.689 -7.310 -7.310 353 2HE LYS 46 1HE LYS 46 -10.114 -8.024 -8.024 354 1HZ LYS 46 1HZ LYS 46 -10.201 -6.645 -6.645 355 2HZ LYS 46 2HZ LYS 46 -11.281 -7.815 -7.815 356 H GLY 47 H GLY 47 -5.228 -8.094 -8.094 357 1HA GLY 47 1HA GLY 47 -4.126 -7.915 -7.915 358 2HA GLY 47 2HA GLY 47 -5.615 -8.453 -8.453 359 H LYS 48 H LYS 48 -6.128 -6.430 -6.430 360 HA LYS 48 HA LYS 48 -7.181 -4.369 -4.369 361 1HB LYS 48 2HB LYS 48 -7.335 -5.147 -5.147 362 2HB LYS 48 1HB LYS 48 -7.424 -3.424 -3.424 363 1HG LYS 48 2HG LYS 48 -9.182 -3.997 -3.997 364 2HG LYS 48 1HG LYS 48 -9.227 -5.603 -5.603 365 1HD LYS 48 2HD LYS 48 -9.536 -4.206 -4.206 366 2HD LYS 48 1HD LYS 48 -10.148 -2.990 -2.990 367 1HE LYS 48 2HE LYS 48 -12.136 -4.082 -4.082 368 2HE LYS 48 1HE LYS 48 -11.353 -5.414 -5.414 369 1HZ LYS 48 1HZ LYS 48 -11.471 -6.641 -6.641 370 2HZ LYS 48 2HZ LYS 48 -10.790 -5.489 -5.489 371 H CYS 49 H CYS 49 -6.651 -2.026 -2.026 372 HA CYS 49 HA CYS 49 -3.740 -1.844 -1.844 373 1HB CYS 49 2HB CYS 49 -3.967 -0.979 -0.979 374 2HB CYS 49 1HB CYS 49 -5.626 -0.476 -0.476 375 H TYR 50 H TYR 50 -3.579 -1.517 -1.517 376 HA TYR 50 HA TYR 50 -5.461 0.140 0.140 377 1HB TYR 50 2HB TYR 50 -2.854 -1.371 -1.371 378 2HB TYR 50 1HB TYR 50 -3.417 -0.254 -0.254 379 HD1 TYR 50 HD2 TYR 50 -6.143 -1.738 -1.738 380 HD2 TYR 50 HD1 TYR 50 -3.356 -2.438 -2.438 381 HE1 TYR 50 HE2 TYR 50 -7.662 -3.543 -3.543 382 HE2 TYR 50 HE1 TYR 50 -4.884 -4.241 -4.241 383 HH TYR 50 HH TYR 50 -7.758 -5.258 -5.258 384 H CYS 51 H CYS 51 -4.679 1.814 1.814 385 HA CYS 51 HA CYS 51 -2.320 3.216 3.216 386 1HB CYS 51 2HB CYS 51 -4.787 4.507 4.507 387 2HB CYS 51 1HB CYS 51 -3.107 4.787 4.787 Start of MODEL 25 1 H ALA 1 H ALA 1 2.202 -11.142 -11.142 2 HA ALA 1 HA ALA 1 3.929 -10.891 -10.891 3 1HB ALA 1 2HB ALA 1 2.068 -12.131 -12.131 4 2HB ALA 1 3HB ALA 1 3.788 -11.770 -11.770 5 3HB ALA 1 1HB ALA 1 3.321 -12.963 -12.963 6 H THR 2 H THR 2 2.399 -8.710 -8.710 7 HA THR 2 HA THR 2 1.456 -7.256 -7.256 8 HB THR 2 HB THR 2 2.398 -5.852 -5.852 9 HG1 THR 2 1HG THR 2 1.584 -7.579 -7.579 10 1HG2 THR 2 2HG2 THR 2 0.564 -5.235 -5.235 11 2HG2 THR 2 3HG2 THR 2 -0.487 -6.081 -6.081 12 3HG2 THR 2 1HG2 THR 2 0.432 -4.647 -4.647 13 H TYR 3 H TYR 3 2.400 -5.794 -5.794 14 HA TYR 3 HA TYR 3 5.324 -5.633 -5.633 15 1HB TYR 3 2HB TYR 3 3.433 -5.055 -5.055 16 2HB TYR 3 1HB TYR 3 5.167 -5.290 -5.290 17 HD1 TYR 3 HD2 TYR 3 1.919 -6.979 -6.979 18 HD2 TYR 3 HD1 TYR 3 6.141 -7.516 -7.516 19 HE1 TYR 3 HE2 TYR 3 1.565 -9.456 -9.456 20 HE2 TYR 3 HE1 TYR 3 5.773 -9.991 -9.991 21 HH TYR 3 HH TYR 3 3.919 -11.683 -11.683 22 H ASN 4 H ASN 4 6.069 -3.744 -3.744 23 HA ASN 4 HA ASN 4 4.393 -1.503 -1.503 24 1HB ASN 4 2HB ASN 4 7.418 -1.345 -1.345 25 2HB ASN 4 1HB ASN 4 6.207 -0.483 -0.483 26 1HD2 ASN 4 2HD2 ASN 4 5.375 -3.230 -3.230 27 2HD2 ASN 4 1HD2 ASN 4 4.685 -1.906 -1.906 28 H GLY 5 H GLY 5 5.117 0.731 0.731 29 1HA GLY 5 1HA GLY 5 6.933 1.134 1.134 30 2HA GLY 5 2HA GLY 5 5.510 0.515 0.515 31 H LYS 6 H LYS 6 4.908 2.447 2.447 32 HA LYS 6 HA LYS 6 3.851 4.481 4.481 33 1HB LYS 6 2HB LYS 6 5.467 5.095 5.095 34 2HB LYS 6 1HB LYS 6 4.705 6.264 6.264 35 1HG LYS 6 2HG LYS 6 6.152 5.648 5.648 36 2HG LYS 6 1HG LYS 6 6.770 4.253 4.253 37 1HD LYS 6 2HD LYS 6 7.605 5.945 5.945 38 2HD LYS 6 1HD LYS 6 7.277 7.192 7.192 39 1HE LYS 6 2HE LYS 6 8.739 5.817 5.817 40 2HE LYS 6 1HE LYS 6 9.231 4.865 4.865 41 1HZ LYS 6 1HZ LYS 6 10.653 6.886 6.886 42 2HZ LYS 6 2HZ LYS 6 10.238 6.743 6.743 43 H CYS 7 H CYS 7 2.166 5.862 5.862 44 HA CYS 7 HA CYS 7 0.859 4.307 4.307 45 1HB CYS 7 2HB CYS 7 -1.274 5.402 5.402 46 2HB CYS 7 1HB CYS 7 -0.607 3.914 3.914 47 H TYR 8 H TYR 8 -0.627 5.739 5.739 48 HA TYR 8 HA TYR 8 0.475 8.466 8.466 49 1HB TYR 8 2HB TYR 8 -0.409 6.403 6.403 50 2HB TYR 8 1HB TYR 8 -0.074 8.073 8.073 51 HD1 TYR 8 HD2 TYR 8 1.590 5.235 5.235 52 HD2 TYR 8 HD1 TYR 8 2.031 8.557 8.557 53 HE1 TYR 8 HE2 TYR 8 4.050 4.672 4.672 54 HE2 TYR 8 HE1 TYR 8 4.490 7.982 7.982 55 HH TYR 8 HH TYR 8 5.883 5.894 5.894 56 H LYS 9 H LYS 9 -0.975 10.155 10.155 57 HA LYS 9 HA LYS 9 -3.740 9.463 9.463 58 1HB LYS 9 2HB LYS 9 -4.027 11.852 11.852 59 2HB LYS 9 1HB LYS 9 -2.695 11.210 11.210 60 1HG LYS 9 2HG LYS 9 -1.065 12.079 12.079 61 2HG LYS 9 1HG LYS 9 -2.370 12.643 12.643 62 1HD LYS 9 2HD LYS 9 -2.393 13.595 13.595 63 2HD LYS 9 1HD LYS 9 -1.129 14.237 14.237 64 1HE LYS 9 2HE LYS 9 -3.273 14.515 14.515 65 2HE LYS 9 1HE LYS 9 -4.092 14.658 14.658 66 1HZ LYS 9 1HZ LYS 9 -1.632 16.214 16.214 67 2HZ LYS 9 2HZ LYS 9 -3.024 16.755 16.755 68 H LYS 10 H LYS 10 -1.740 11.196 11.196 69 HA LYS 10 HA LYS 10 -3.853 11.834 11.834 70 1HB LYS 10 2HB LYS 10 -1.028 12.085 12.085 71 2HB LYS 10 1HB LYS 10 -1.437 11.310 11.310 72 1HG LYS 10 2HG LYS 10 -2.902 13.099 13.099 73 2HG LYS 10 1HG LYS 10 -2.971 13.750 13.750 74 1HD LYS 10 2HD LYS 10 -1.439 15.220 15.220 75 2HD LYS 10 1HD LYS 10 -0.342 14.027 14.027 76 1HE LYS 10 2HE LYS 10 0.315 13.283 13.283 77 2HE LYS 10 1HE LYS 10 -1.313 13.335 13.335 78 1HZ LYS 10 1HZ LYS 10 0.583 15.099 15.099 79 2HZ LYS 10 2HZ LYS 10 -1.005 15.450 15.450 80 H ASP 11 H ASP 11 -2.260 8.784 8.784 81 HA ASP 11 HA ASP 11 -3.601 7.632 7.632 82 1HB ASP 11 2HB ASP 11 -1.171 6.864 6.864 83 2HB ASP 11 1HB ASP 11 -2.070 5.590 5.590 84 HD1 ASP 11 2HD ASP 11 -1.547 7.314 7.314 85 H ASN 12 H ASN 12 -3.668 8.057 8.057 86 HA ASN 12 HA ASN 12 -4.686 7.096 7.096 87 1HB ASN 12 2HB ASN 12 -6.724 7.822 7.822 88 2HB ASN 12 1HB ASN 12 -6.635 6.562 6.562 89 1HD2 ASN 12 2HD2 ASN 12 -7.822 5.664 5.664 90 2HD2 ASN 12 1HD2 ASN 12 -6.754 6.983 6.983 91 H ILE 13 H ILE 13 -2.680 5.442 5.442 92 HA ILE 13 HA ILE 13 -3.866 2.787 2.787 93 HB ILE 13 HB ILE 13 -1.917 1.988 1.988 94 1HG1 ILE 13 2HG1 ILE 13 -1.475 3.791 3.791 95 2HG1 ILE 13 3HG1 ILE 13 -1.898 4.940 4.940 96 1HG2 ILE 13 2HG2 ILE 13 -4.587 2.823 2.823 97 2HG2 ILE 13 3HG2 ILE 13 -3.557 3.176 3.176 98 3HG2 ILE 13 1HG2 ILE 13 -3.626 1.525 1.525 99 1HD1 ILE 13 1HD1 ILE 13 0.219 2.766 2.766 100 2HD1 ILE 13 2HD1 ILE 13 0.568 4.456 4.456 101 3HD1 ILE 13 3HD1 ILE 13 -0.145 4.074 4.074 102 H CYS 14 H CYS 14 -1.831 1.195 1.195 103 HA CYS 14 HA CYS 14 -0.149 2.627 2.627 104 1HB CYS 14 2HB CYS 14 -1.739 1.761 1.761 105 2HB CYS 14 1HB CYS 14 -1.957 0.293 0.293 106 H LYS 15 H LYS 15 1.925 2.308 2.308 107 HA LYS 15 HA LYS 15 2.473 -0.114 -0.114 108 1HB LYS 15 2HB LYS 15 3.820 2.565 2.565 109 2HB LYS 15 1HB LYS 15 4.709 1.189 1.189 110 1HG LYS 15 2HG LYS 15 2.715 0.847 0.847 111 2HG LYS 15 1HG LYS 15 2.184 2.445 2.445 112 1HD LYS 15 2HD LYS 15 4.608 3.227 3.227 113 2HD LYS 15 1HD LYS 15 4.775 1.685 1.685 114 1HE LYS 15 2HE LYS 15 2.733 2.216 2.216 115 2HE LYS 15 1HE LYS 15 2.625 3.777 3.777 116 1HZ LYS 15 1HZ LYS 15 5.244 3.278 3.278 117 2HZ LYS 15 2HZ LYS 15 4.101 3.251 3.251 118 H TYR 16 H TYR 16 4.610 -1.240 -1.240 119 HA TYR 16 HA TYR 16 5.924 -0.948 -0.948 120 1HB TYR 16 2HB TYR 16 4.880 -2.899 -2.899 121 2HB TYR 16 1HB TYR 16 3.655 -1.691 -1.691 122 HD1 TYR 16 HD2 TYR 16 4.910 -5.036 -5.036 123 HD2 TYR 16 HD1 TYR 16 1.887 -2.104 -2.104 124 HE1 TYR 16 HE2 TYR 16 3.505 -6.783 -6.783 125 HE2 TYR 16 HE1 TYR 16 0.492 -3.860 -3.860 126 HH TYR 16 HH TYR 16 1.733 -7.157 -7.157 127 H LYS 17 H LYS 17 7.336 -2.925 -2.925 128 HA LYS 17 HA LYS 17 8.370 -3.855 -3.855 129 1HB LYS 17 2HB LYS 17 9.285 -3.546 -3.546 130 2HB LYS 17 1HB LYS 17 9.627 -5.175 -5.175 131 1HG LYS 17 2HG LYS 17 10.489 -3.994 -3.994 132 2HG LYS 17 1HG LYS 17 10.546 -2.550 -2.550 133 1HD LYS 17 2HD LYS 17 11.986 -3.785 -3.785 134 2HD LYS 17 1HD LYS 17 11.973 -5.183 -5.183 135 1HE LYS 17 2HE LYS 17 12.918 -3.640 -3.640 136 2HE LYS 17 1HE LYS 17 13.161 -2.438 -2.438 137 1HZ LYS 17 1HZ LYS 17 15.163 -3.724 -3.724 138 2HZ LYS 17 2HZ LYS 17 14.504 -4.150 -4.150 139 H ALA 18 H ALA 18 7.926 -5.732 -5.732 140 HA ALA 18 HA ALA 18 5.839 -7.371 -7.371 141 1HB ALA 18 1HB ALA 18 7.138 -6.867 -6.867 142 2HB ALA 18 2HB ALA 18 7.620 -8.539 -8.539 143 3HB ALA 18 3HB ALA 18 5.895 -8.112 -8.112 144 H GLN 19 H GLN 19 5.896 -9.581 -9.581 145 HA GLN 19 HA GLN 19 7.552 -10.134 -10.134 146 1HB GLN 19 2HB GLN 19 5.593 -11.489 -11.489 147 2HB GLN 19 1HB GLN 19 6.217 -12.047 -12.047 148 1HG GLN 19 2HG GLN 19 8.012 -12.585 -12.585 149 2HG GLN 19 1HG GLN 19 6.470 -13.416 -13.416 150 1HE2 GLN 19 2HE2 GLN 19 8.793 -15.659 -15.659 151 2HE2 GLN 19 1HE2 GLN 19 8.595 -14.952 -14.952 152 H SER 20 H SER 20 8.188 -10.633 -10.633 153 HA SER 20 HA SER 20 10.485 -12.197 -12.197 154 1HB SER 20 2HB SER 20 8.945 -11.188 -11.188 155 2HB SER 20 1HB SER 20 10.624 -10.774 -10.774 156 HG SER 20 HG SER 20 11.092 -12.836 -12.836 157 H GLY 21 H GLY 21 9.909 -8.698 -8.698 158 1HA GLY 21 1HA GLY 21 11.649 -7.457 -7.457 159 2HA GLY 21 2HA GLY 21 12.745 -8.112 -8.112 160 H LYS 22 H LYS 22 10.357 -7.941 -7.941 161 HA LYS 22 HA LYS 22 11.147 -5.522 -5.522 162 1HB LYS 22 2HB LYS 22 10.194 -7.568 -7.568 163 2HB LYS 22 1HB LYS 22 8.611 -7.077 -7.077 164 1HG LYS 22 2HG LYS 22 9.542 -4.709 -4.709 165 2HG LYS 22 1HG LYS 22 10.305 -5.889 -5.889 166 1HD LYS 22 2HD LYS 22 7.869 -6.990 -6.990 167 2HD LYS 22 1HD LYS 22 7.359 -5.384 -5.384 168 1HE LYS 22 2HE LYS 22 9.287 -5.547 -5.547 169 2HE LYS 22 1HE LYS 22 7.660 -6.123 -6.123 170 1HZ LYS 22 1HZ LYS 22 8.499 -3.406 -3.406 171 2HZ LYS 22 2HZ LYS 22 7.517 -3.851 -3.851 172 H THR 23 H THR 23 7.839 -5.341 -5.341 173 HA THR 23 HA THR 23 7.184 -3.961 -3.961 174 HB THR 23 HB THR 23 8.014 -2.441 -2.441 175 HG1 THR 23 1HG THR 23 8.273 -2.043 -2.043 176 1HG2 THR 23 2HG2 THR 23 5.658 -1.720 -1.720 177 2HG2 THR 23 3HG2 THR 23 6.458 -1.262 -1.262 178 3HG2 THR 23 1HG2 THR 23 6.913 -0.458 -0.458 179 H ALA 24 H ALA 24 5.006 -3.879 -3.879 180 HA ALA 24 HA ALA 24 3.371 -4.452 -4.452 181 1HB ALA 24 3HB ALA 24 3.543 -5.903 -5.903 182 2HB ALA 24 1HB ALA 24 1.976 -5.806 -5.806 183 3HB ALA 24 2HB ALA 24 3.372 -6.557 -6.557 184 H ILE 25 H ILE 25 1.470 -3.271 -3.271 185 HA ILE 25 HA ILE 25 1.163 -1.242 -1.242 186 HB ILE 25 HB ILE 25 -0.232 -1.257 -1.257 187 1HG1 ILE 25 2HG1 ILE 25 1.957 0.343 0.343 188 2HG1 ILE 25 3HG1 ILE 25 2.664 -0.978 -0.978 189 1HG2 ILE 25 3HG2 ILE 25 0.457 0.765 0.765 190 2HG2 ILE 25 1HG2 ILE 25 0.235 1.280 1.280 191 3HG2 ILE 25 2HG2 ILE 25 -1.089 0.459 0.459 192 1HD1 ILE 25 1HD1 ILE 25 0.748 -1.721 -1.721 193 2HD1 ILE 25 2HD1 ILE 25 2.342 -1.093 -1.093 194 3HD1 ILE 25 3HD1 ILE 25 2.230 -2.546 -2.546 195 H CYS 26 H CYS 26 -0.881 -0.835 -0.835 196 HA CYS 26 HA CYS 26 -2.901 -2.877 -2.877 197 1HB CYS 26 2HB CYS 26 -1.484 -3.638 -3.638 198 2HB CYS 26 1HB CYS 26 -1.882 -2.170 -2.170 199 H LYS 27 H LYS 27 -4.449 -1.467 -1.467 200 HA LYS 27 HA LYS 27 -4.763 1.157 1.157 201 1HB LYS 27 2HB LYS 27 -7.115 -0.744 -0.744 202 2HB LYS 27 1HB LYS 27 -7.036 0.906 0.906 203 1HG LYS 27 2HG LYS 27 -6.422 0.067 0.067 204 2HG LYS 27 1HG LYS 27 -4.879 -0.349 -0.349 205 1HD LYS 27 2HD LYS 27 -6.725 -2.387 -2.387 206 2HD LYS 27 1HD LYS 27 -7.000 -2.119 -2.119 207 1HE LYS 27 2HE LYS 27 -4.123 -2.190 -2.190 208 2HE LYS 27 1HE LYS 27 -4.956 -3.680 -3.680 209 1HZ LYS 27 1HZ LYS 27 -5.906 -3.463 -3.463 210 2HZ LYS 27 2HZ LYS 27 -4.696 -2.408 -2.408 211 H CYS 28 H CYS 28 -5.842 2.565 2.565 212 HA CYS 28 HA CYS 28 -5.946 1.476 1.476 213 1HB CYS 28 2HB CYS 28 -5.898 4.276 4.276 214 2HB CYS 28 1HB CYS 28 -6.285 3.960 3.960 215 H TYR 29 H TYR 29 -7.883 1.087 1.087 216 HA TYR 29 HA TYR 29 -10.316 1.969 1.969 217 1HB TYR 29 2HB TYR 29 -11.171 -0.163 -0.163 218 2HB TYR 29 1HB TYR 29 -9.470 -0.565 -0.565 219 HD1 TYR 29 HD1 TYR 29 -8.063 -0.431 -0.431 220 HD2 TYR 29 HD2 TYR 29 -12.340 -0.540 -0.540 221 HE1 TYR 29 HE1 TYR 29 -8.084 -1.213 -1.213 222 HE2 TYR 29 HE2 TYR 29 -12.346 -1.322 -1.322 223 HH TYR 29 HH TYR 29 -9.372 -1.445 -1.445 224 H VAL 30 H VAL 30 -11.776 3.239 3.239 225 HA VAL 30 HA VAL 30 -12.683 4.463 4.463 226 HB VAL 30 HB VAL 30 -11.537 2.289 2.289 227 1HG1 VAL 30 1HG1 VAL 30 -13.118 4.740 4.740 228 2HG1 VAL 30 2HG1 VAL 30 -13.497 3.225 3.225 229 3HG1 VAL 30 3HG1 VAL 30 -11.852 3.901 3.901 230 1HG2 VAL 30 3HG2 VAL 30 -14.131 2.705 2.705 231 2HG2 VAL 30 1HG2 VAL 30 -13.143 1.235 1.235 232 3HG2 VAL 30 2HG2 VAL 30 -14.129 1.810 1.810 233 H LYS 31 H LYS 31 -9.799 3.361 3.361 234 HA LYS 31 HA LYS 31 -9.178 6.030 6.030 235 1HB LYS 31 2HB LYS 31 -8.347 3.350 3.350 236 2HB LYS 31 1HB LYS 31 -6.948 4.383 4.383 237 1HG LYS 31 2HG LYS 31 -7.710 5.954 5.954 238 2HG LYS 31 1HG LYS 31 -9.352 5.344 5.344 239 1HD LYS 31 2HD LYS 31 -7.060 3.553 3.553 240 2HD LYS 31 1HD LYS 31 -7.816 4.660 4.660 241 1HE LYS 31 2HE LYS 31 -10.080 3.572 3.572 242 2HE LYS 31 1HE LYS 31 -9.025 2.262 2.262 243 1HZ LYS 31 1HZ LYS 31 -9.777 1.834 1.834 244 2HZ LYS 31 2HZ LYS 31 -8.198 2.211 2.211 245 H LYS 32 H LYS 32 -9.319 6.636 6.636 246 HA LYS 32 HA LYS 32 -7.467 5.956 5.956 247 1HB LYS 32 2HB LYS 32 -8.868 7.413 7.413 248 2HB LYS 32 1HB LYS 32 -9.199 8.251 8.251 249 1HG LYS 32 2HG LYS 32 -7.014 9.462 9.462 250 2HG LYS 32 1HG LYS 32 -6.689 8.627 8.627 251 1HD LYS 32 2HD LYS 32 -7.659 10.963 10.963 252 2HD LYS 32 1HD LYS 32 -8.541 9.706 9.706 253 1HE LYS 32 2HE LYS 32 -10.325 9.712 9.712 254 2HE LYS 32 1HE LYS 32 -9.355 10.473 10.473 255 1HZ LYS 32 1HZ LYS 32 -9.671 12.048 12.048 256 2HZ LYS 32 2HZ LYS 32 -11.047 11.824 11.824 257 H CYS 33 H CYS 33 -5.483 7.153 7.153 258 HA CYS 33 HA CYS 33 -3.617 7.208 7.208 259 1HB CYS 33 2HB CYS 33 -2.938 6.486 6.486 260 2HB CYS 33 1HB CYS 33 -3.444 7.994 7.994 261 HA PRO 34 HA PRO 34 -4.124 11.409 11.409 262 1HB PRO 34 2HB PRO 34 -1.939 11.718 11.718 263 2HB PRO 34 1HB PRO 34 -3.442 11.004 11.004 264 1HG PRO 34 2HG PRO 34 -0.887 9.670 9.670 265 2HG PRO 34 1HG PRO 34 -2.236 9.058 9.058 266 1HD PRO 34 2HD PRO 34 -1.571 8.371 8.371 267 2HD PRO 34 1HD PRO 34 -2.984 7.850 7.850 268 H ARG 35 H ARG 35 -1.120 10.295 10.295 269 HA ARG 35 HA ARG 35 -1.053 12.184 12.184 270 1HB ARG 35 2HB ARG 35 0.955 13.603 13.603 271 2HB ARG 35 1HB ARG 35 -0.691 14.047 14.047 272 1HG ARG 35 2HG ARG 35 -0.553 12.911 12.911 273 2HG ARG 35 1HG ARG 35 0.981 12.174 12.174 274 1HD ARG 35 2HD ARG 35 2.004 13.956 13.956 275 2HD ARG 35 1HD ARG 35 1.447 14.928 14.928 276 HE ARG 35 HE ARG 35 -0.678 14.649 14.649 277 1HH1 ARG 35 2HH2 ARG 35 2.408 16.328 16.328 278 2HH1 ARG 35 1HH2 ARG 35 1.987 17.650 17.650 279 HH2 ARG 35 1HH ARG 35 -0.158 17.667 17.667 280 H ASP 36 H ASP 36 0.670 11.700 11.700 281 HA ASP 36 HA ASP 36 1.838 9.352 9.352 282 1HB ASP 36 2HB ASP 36 3.339 11.858 11.858 283 2HB ASP 36 1HB ASP 36 3.540 10.241 10.241 284 HD1 ASP 36 2HD ASP 36 1.112 12.989 12.989 285 H GLY 37 H GLY 37 3.602 8.321 8.321 286 1HA GLY 37 1HA GLY 37 5.693 8.311 8.311 287 2HA GLY 37 2HA GLY 37 5.472 9.980 9.980 288 H ALA 38 H ALA 38 2.494 9.086 9.086 289 HA ALA 38 HA ALA 38 2.863 8.897 8.897 290 1HB ALA 38 1HB ALA 38 0.557 8.191 8.191 291 2HB ALA 38 2HB ALA 38 0.426 8.134 8.134 292 3HB ALA 38 3HB ALA 38 0.784 9.675 9.675 293 H LYS 39 H LYS 39 3.586 7.271 7.271 294 HA LYS 39 HA LYS 39 4.277 4.784 4.784 295 1HB LYS 39 2HB LYS 39 5.340 5.897 5.897 296 2HB LYS 39 1HB LYS 39 3.905 5.558 5.558 297 1HG LYS 39 2HG LYS 39 4.310 3.056 3.056 298 2HG LYS 39 1HG LYS 39 5.950 3.624 3.624 299 1HD LYS 39 2HD LYS 39 5.752 4.549 4.549 300 2HD LYS 39 1HD LYS 39 4.383 3.464 3.464 301 1HE LYS 39 2HE LYS 39 5.732 1.641 1.641 302 2HE LYS 39 1HE LYS 39 6.649 2.083 2.083 303 1HZ LYS 39 1HZ LYS 39 7.491 2.301 2.301 304 2HZ LYS 39 2HZ LYS 39 8.287 2.839 2.839 305 H CYS 40 H CYS 40 3.378 2.668 2.668 306 HA CYS 40 HA CYS 40 0.875 2.387 2.387 307 1HB CYS 40 2HB CYS 40 -0.274 1.601 1.601 308 2HB CYS 40 1HB CYS 40 -0.273 3.300 3.300 309 H GLU 41 H GLU 41 -0.015 0.007 0.007 310 HA GLU 41 HA GLU 41 2.254 -1.639 -1.639 311 1HB GLU 41 2HB GLU 41 1.361 -3.219 -3.219 312 2HB GLU 41 1HB GLU 41 2.581 -1.993 -1.993 313 1HG GLU 41 2HG GLU 41 1.021 -0.482 -0.482 314 2HG GLU 41 1HG GLU 41 -0.359 -1.291 -1.291 315 HE2 GLU 41 2HE GLU 41 -0.828 -1.084 -1.084 316 H PHE 42 H PHE 42 1.659 -3.553 -3.553 317 HA PHE 42 HA PHE 42 -1.158 -3.627 -3.627 318 1HB PHE 42 2HB PHE 42 0.538 -3.550 -3.550 319 2HB PHE 42 1HB PHE 42 1.466 -4.832 -4.832 320 HD1 PHE 42 2HD PHE 42 -2.158 -4.524 -4.524 321 HD2 PHE 42 1HD PHE 42 1.459 -6.684 -6.684 322 HE1 PHE 42 2HE PHE 42 -3.367 -6.222 -6.222 323 HE2 PHE 42 1HE PHE 42 0.251 -8.381 -8.381 324 HZ PHE 42 HZ PHE 42 -2.148 -8.130 -8.130 325 H ASP 43 H ASP 43 -2.447 -4.955 -4.955 326 HA ASP 43 HA ASP 43 -1.383 -6.973 -6.973 327 1HB ASP 43 2HB ASP 43 -3.905 -5.702 -5.702 328 2HB ASP 43 1HB ASP 43 -4.189 -7.416 -7.416 329 HD2 ASP 43 2HD ASP 43 -3.843 -5.164 -5.164 330 H SER 44 H SER 44 -1.262 -9.253 -9.253 331 HA SER 44 HA SER 44 -1.809 -10.016 -10.016 332 1HB SER 44 2HB SER 44 -0.042 -11.546 -11.546 333 2HB SER 44 1HB SER 44 0.543 -10.237 -10.237 334 HG SER 44 HG SER 44 -0.742 -12.667 -12.667 335 H TYR 45 H TYR 45 -2.667 -10.525 -10.525 336 HA TYR 45 HA TYR 45 -3.660 -13.092 -13.092 337 1HB TYR 45 2HB TYR 45 -4.720 -12.315 -12.315 338 2HB TYR 45 1HB TYR 45 -3.424 -11.152 -11.152 339 HD1 TYR 45 HD1 TYR 45 -4.122 -9.050 -9.050 340 HD2 TYR 45 HD2 TYR 45 -6.822 -11.478 -11.478 341 HE1 TYR 45 HE1 TYR 45 -5.825 -7.162 -7.162 342 HE2 TYR 45 HE2 TYR 45 -8.515 -9.581 -9.581 343 HH TYR 45 HH TYR 45 -7.854 -6.574 -6.574 344 H LYS 46 H LYS 46 -4.840 -10.226 -10.226 345 HA LYS 46 HA LYS 46 -7.038 -11.821 -11.821 346 1HB LYS 46 2HB LYS 46 -8.753 -10.480 -10.480 347 2HB LYS 46 1HB LYS 46 -7.693 -10.303 -10.303 348 1HG LYS 46 2HG LYS 46 -6.833 -8.176 -8.176 349 2HG LYS 46 1HG LYS 46 -7.622 -8.392 -8.392 350 1HD LYS 46 2HD LYS 46 -9.248 -8.331 -8.331 351 2HD LYS 46 1HD LYS 46 -8.756 -6.840 -6.840 352 1HE LYS 46 2HE LYS 46 -10.362 -9.074 -9.074 353 2HE LYS 46 1HE LYS 46 -11.031 -7.569 -7.569 354 1HZ LYS 46 1HZ LYS 46 -9.086 -7.864 -7.864 355 2HZ LYS 46 2HZ LYS 46 -10.612 -7.305 -7.305 356 H GLY 47 H GLY 47 -5.151 -8.741 -8.741 357 1HA GLY 47 1HA GLY 47 -3.923 -8.354 -8.354 358 2HA GLY 47 2HA GLY 47 -5.378 -8.796 -8.796 359 H LYS 48 H LYS 48 -5.911 -7.056 -7.056 360 HA LYS 48 HA LYS 48 -7.131 -4.917 -4.917 361 1HB LYS 48 2HB LYS 48 -7.008 -5.949 -5.949 362 2HB LYS 48 1HB LYS 48 -6.590 -4.249 -4.249 363 1HG LYS 48 2HG LYS 48 -8.647 -3.768 -3.768 364 2HG LYS 48 1HG LYS 48 -9.091 -5.455 -5.455 365 1HD LYS 48 2HD LYS 48 -8.841 -5.015 -5.015 366 2HD LYS 48 1HD LYS 48 -8.936 -3.320 -3.320 367 1HE LYS 48 2HE LYS 48 -11.192 -3.475 -3.475 368 2HE LYS 48 1HE LYS 48 -11.032 -4.662 -4.662 369 1HZ LYS 48 1HZ LYS 48 -10.683 -5.546 -5.546 370 2HZ LYS 48 2HZ LYS 48 -12.195 -5.313 -5.313 371 H CYS 49 H CYS 49 -6.307 -2.631 -2.631 372 HA CYS 49 HA CYS 49 -3.474 -2.382 -2.382 373 1HB CYS 49 2HB CYS 49 -3.968 -1.651 -1.651 374 2HB CYS 49 1HB CYS 49 -5.582 -1.121 -1.121 375 H TYR 50 H TYR 50 -3.335 -2.143 -2.143 376 HA TYR 50 HA TYR 50 -4.991 -0.371 -0.371 377 1HB TYR 50 2HB TYR 50 -2.309 -1.805 -1.805 378 2HB TYR 50 1HB TYR 50 -2.770 -0.646 -0.646 379 HD1 TYR 50 HD2 TYR 50 -5.394 -2.594 -2.594 380 HD2 TYR 50 HD1 TYR 50 -2.749 -2.431 -2.431 381 HE1 TYR 50 HE2 TYR 50 -6.765 -4.383 -4.383 382 HE2 TYR 50 HE1 TYR 50 -4.130 -4.221 -4.221 383 HH TYR 50 HH TYR 50 -7.178 -5.295 -5.295 384 H CYS 51 H CYS 51 -4.763 1.439 1.439 385 HA CYS 51 HA CYS 51 -2.285 2.882 2.882 386 1HB CYS 51 2HB CYS 51 -4.804 3.922 3.922 387 2HB CYS 51 1HB CYS 51 -3.136 4.282 4.282 Start of MODEL 26 1 H ALA 1 H ALA 1 3.094 -12.179 -12.179 2 HA ALA 1 HA ALA 1 4.330 -11.393 -11.393 3 1HB ALA 1 2HB ALA 1 2.003 -12.997 -12.997 4 2HB ALA 1 3HB ALA 1 1.759 -12.015 -12.015 5 3HB ALA 1 1HB ALA 1 3.201 -13.047 -13.047 6 H THR 2 H THR 2 3.418 -8.952 -8.952 7 HA THR 2 HA THR 2 1.900 -7.576 -7.576 8 HB THR 2 HB THR 2 2.901 -6.187 -6.187 9 HG1 THR 2 1HG THR 2 2.233 -7.980 -7.980 10 1HG2 THR 2 3HG2 THR 2 1.005 -5.498 -5.498 11 2HG2 THR 2 1HG2 THR 2 0.005 -6.579 -6.579 12 3HG2 THR 2 2HG2 THR 2 0.788 -5.159 -5.159 13 H TYR 3 H TYR 3 2.656 -5.836 -5.836 14 HA TYR 3 HA TYR 3 5.584 -5.535 -5.535 15 1HB TYR 3 2HB TYR 3 3.671 -5.097 -5.097 16 2HB TYR 3 1HB TYR 3 5.405 -5.340 -5.340 17 HD1 TYR 3 HD2 TYR 3 2.205 -7.072 -7.072 18 HD2 TYR 3 HD1 TYR 3 6.313 -7.503 -7.503 19 HE1 TYR 3 HE2 TYR 3 1.845 -9.558 -9.558 20 HE2 TYR 3 HE1 TYR 3 5.939 -9.988 -9.988 21 HH TYR 3 HH TYR 3 4.368 -11.721 -11.721 22 H ASN 4 H ASN 4 6.313 -3.522 -3.522 23 HA ASN 4 HA ASN 4 4.352 -1.431 -1.431 24 1HB ASN 4 2HB ASN 4 7.274 -1.671 -1.671 25 2HB ASN 4 1HB ASN 4 6.434 -0.135 -0.135 26 1HD2 ASN 4 2HD2 ASN 4 5.033 -3.270 -3.270 27 2HD2 ASN 4 1HD2 ASN 4 5.663 -3.536 -3.536 28 H GLY 5 H GLY 5 5.016 0.814 0.814 29 1HA GLY 5 1HA GLY 5 7.053 1.181 1.181 30 2HA GLY 5 2HA GLY 5 5.660 0.599 0.599 31 H LYS 6 H LYS 6 4.856 2.403 2.403 32 HA LYS 6 HA LYS 6 3.930 4.545 4.545 33 1HB LYS 6 2HB LYS 6 5.453 5.120 5.120 34 2HB LYS 6 1HB LYS 6 4.835 6.280 6.280 35 1HG LYS 6 2HG LYS 6 6.370 5.435 5.435 36 2HG LYS 6 1HG LYS 6 6.921 4.155 4.155 37 1HD LYS 6 2HD LYS 6 7.571 6.102 6.102 38 2HD LYS 6 1HD LYS 6 7.416 7.142 7.142 39 1HE LYS 6 2HE LYS 6 9.166 5.992 5.992 40 2HE LYS 6 1HE LYS 6 9.121 4.622 4.622 41 1HZ LYS 6 1HZ LYS 6 10.024 7.358 7.358 42 2HZ LYS 6 2HZ LYS 6 10.988 6.061 6.061 43 H CYS 7 H CYS 7 2.347 6.005 6.005 44 HA CYS 7 HA CYS 7 1.046 4.490 4.490 45 1HB CYS 7 2HB CYS 7 -1.170 5.197 5.197 46 2HB CYS 7 1HB CYS 7 -0.322 3.793 3.793 47 H TYR 8 H TYR 8 -0.791 6.051 6.051 48 HA TYR 8 HA TYR 8 0.126 8.830 8.830 49 1HB TYR 8 2HB TYR 8 -0.497 7.111 7.111 50 2HB TYR 8 1HB TYR 8 -0.086 8.814 8.814 51 HD1 TYR 8 HD2 TYR 8 1.315 5.586 5.586 52 HD2 TYR 8 HD1 TYR 8 2.116 9.396 9.396 53 HE1 TYR 8 HE2 TYR 8 3.780 4.991 4.991 54 HE2 TYR 8 HE1 TYR 8 4.578 8.788 8.788 55 HH TYR 8 HH TYR 8 6.126 7.367 7.367 56 H LYS 9 H LYS 9 -1.524 10.310 10.310 57 HA LYS 9 HA LYS 9 -4.170 9.309 9.309 58 1HB LYS 9 2HB LYS 9 -4.752 11.668 11.668 59 2HB LYS 9 1HB LYS 9 -3.407 11.145 11.145 60 1HG LYS 9 2HG LYS 9 -2.475 13.106 13.106 61 2HG LYS 9 1HG LYS 9 -1.977 12.058 12.058 62 1HD LYS 9 2HD LYS 9 -2.969 13.807 13.807 63 2HD LYS 9 1HD LYS 9 -4.321 12.700 12.700 64 1HE LYS 9 2HE LYS 9 -5.394 13.989 13.989 65 2HE LYS 9 1HE LYS 9 -3.904 14.744 14.744 66 1HZ LYS 9 1HZ LYS 9 -5.381 16.210 16.210 67 2HZ LYS 9 2HZ LYS 9 -3.875 16.086 16.086 68 H LYS 10 H LYS 10 -2.409 11.316 11.316 69 HA LYS 10 HA LYS 10 -4.537 11.769 11.769 70 1HB LYS 10 2HB LYS 10 -2.001 12.560 12.560 71 2HB LYS 10 1HB LYS 10 -1.811 11.260 11.260 72 1HG LYS 10 2HG LYS 10 -4.144 13.120 13.120 73 2HG LYS 10 1HG LYS 10 -2.548 13.761 13.761 74 1HD LYS 10 2HD LYS 10 -3.258 11.052 11.052 75 2HD LYS 10 1HD LYS 10 -3.957 12.471 12.471 76 1HE LYS 10 2HE LYS 10 -1.829 13.357 13.357 77 2HE LYS 10 1HE LYS 10 -0.975 12.371 12.371 78 1HZ LYS 10 1HZ LYS 10 -2.026 11.579 11.579 79 2HZ LYS 10 2HZ LYS 10 -0.608 11.181 11.181 80 H ASP 11 H ASP 11 -2.138 9.042 9.042 81 HA ASP 11 HA ASP 11 -3.683 7.749 7.749 82 1HB ASP 11 2HB ASP 11 -1.218 7.017 7.017 83 2HB ASP 11 1HB ASP 11 -1.985 5.831 5.831 84 HD2 ASP 11 2HD ASP 11 0.511 8.254 8.254 85 H ASN 12 H ASN 12 -3.890 8.131 8.131 86 HA ASN 12 HA ASN 12 -4.719 6.980 6.980 87 1HB ASN 12 2HB ASN 12 -6.818 7.628 7.628 88 2HB ASN 12 1HB ASN 12 -6.681 6.409 6.409 89 1HD2 ASN 12 2HD2 ASN 12 -7.833 5.407 5.407 90 2HD2 ASN 12 1HD2 ASN 12 -6.913 6.834 6.834 91 H ILE 13 H ILE 13 -2.607 5.490 5.490 92 HA ILE 13 HA ILE 13 -3.613 2.760 2.760 93 HB ILE 13 HB ILE 13 -1.756 2.114 2.114 94 1HG1 ILE 13 2HG1 ILE 13 -1.403 4.008 4.008 95 2HG1 ILE 13 3HG1 ILE 13 -1.819 5.094 5.094 96 1HG2 ILE 13 1HG2 ILE 13 -4.460 2.860 2.860 97 2HG2 ILE 13 2HG2 ILE 13 -3.543 3.436 3.436 98 3HG2 ILE 13 3HG2 ILE 13 -3.475 1.720 1.720 99 1HD1 ILE 13 1HD1 ILE 13 0.369 2.970 2.970 100 2HD1 ILE 13 2HD1 ILE 13 0.649 4.696 4.696 101 3HD1 ILE 13 3HD1 ILE 13 -0.008 4.189 4.189 102 H CYS 14 H CYS 14 -1.626 1.241 1.241 103 HA CYS 14 HA CYS 14 0.162 2.720 2.720 104 1HB CYS 14 2HB CYS 14 -1.221 1.802 1.802 105 2HB CYS 14 1HB CYS 14 -1.609 0.400 0.400 106 H LYS 15 H LYS 15 2.293 2.315 2.315 107 HA LYS 15 HA LYS 15 2.811 -0.017 -0.017 108 1HB LYS 15 2HB LYS 15 4.249 2.629 2.629 109 2HB LYS 15 1HB LYS 15 4.928 1.267 1.267 110 1HG LYS 15 2HG LYS 15 2.947 1.220 1.220 111 2HG LYS 15 1HG LYS 15 2.224 2.548 2.548 112 1HD LYS 15 2HD LYS 15 4.257 3.962 3.962 113 2HD LYS 15 1HD LYS 15 4.844 2.643 2.643 114 1HE LYS 15 2HE LYS 15 2.075 3.170 3.170 115 2HE LYS 15 1HE LYS 15 2.957 4.684 4.684 116 1HZ LYS 15 1HZ LYS 15 3.602 3.972 3.972 117 2HZ LYS 15 2HZ LYS 15 4.671 3.020 3.020 118 H TYR 16 H TYR 16 4.120 -1.655 -1.655 119 HA TYR 16 HA TYR 16 5.930 -1.200 -1.200 120 1HB TYR 16 2HB TYR 16 4.777 -2.905 -2.905 121 2HB TYR 16 1HB TYR 16 3.645 -1.622 -1.622 122 HD1 TYR 16 HD1 TYR 16 1.912 -1.992 -1.992 123 HD2 TYR 16 HD2 TYR 16 4.373 -5.154 -5.154 124 HE1 TYR 16 HE1 TYR 16 0.292 -3.709 -3.709 125 HE2 TYR 16 HE2 TYR 16 2.744 -6.861 -6.861 126 HH TYR 16 HH TYR 16 1.056 -7.138 -7.138 127 H LYS 17 H LYS 17 7.148 -3.293 -3.293 128 HA LYS 17 HA LYS 17 7.872 -4.499 -4.499 129 1HB LYS 17 2HB LYS 17 8.890 -5.297 -5.297 130 2HB LYS 17 1HB LYS 17 9.702 -5.411 -5.411 131 1HG LYS 17 2HG LYS 17 9.002 -2.661 -2.661 132 2HG LYS 17 1HG LYS 17 9.620 -3.169 -3.169 133 1HD LYS 17 2HD LYS 17 11.038 -3.500 -3.500 134 2HD LYS 17 1HD LYS 17 11.461 -2.348 -2.348 135 1HE LYS 17 2HE LYS 17 11.365 -5.302 -5.302 136 2HE LYS 17 1HE LYS 17 12.757 -4.662 -4.662 137 1HZ LYS 17 1HZ LYS 17 13.222 -4.470 -4.470 138 2HZ LYS 17 2HZ LYS 17 12.876 -2.949 -2.949 139 H ALA 18 H ALA 18 7.399 -6.538 -6.538 140 HA ALA 18 HA ALA 18 5.148 -7.825 -7.825 141 1HB ALA 18 1HB ALA 18 6.614 -7.828 -7.828 142 2HB ALA 18 2HB ALA 18 6.220 -9.482 -9.482 143 3HB ALA 18 3HB ALA 18 4.924 -8.277 -8.277 144 H GLN 19 H GLN 19 5.615 -10.540 -10.540 145 HA GLN 19 HA GLN 19 6.912 -11.120 -11.120 146 1HB GLN 19 2HB GLN 19 5.196 -12.453 -12.453 147 2HB GLN 19 1HB GLN 19 6.684 -13.298 -13.298 148 1HG GLN 19 2HG GLN 19 6.821 -14.275 -14.275 149 2HG GLN 19 1HG GLN 19 6.253 -12.839 -12.839 150 1HE2 GLN 19 2HE2 GLN 19 3.702 -15.820 -15.820 151 2HE2 GLN 19 1HE2 GLN 19 5.368 -15.750 -15.750 152 H SER 20 H SER 20 8.081 -10.774 -10.774 153 HA SER 20 HA SER 20 10.469 -12.237 -12.237 154 1HB SER 20 2HB SER 20 9.101 -11.086 -11.086 155 2HB SER 20 1HB SER 20 10.735 -10.454 -10.454 156 HG SER 20 HG SER 20 11.291 -12.325 -12.325 157 H GLY 21 H GLY 21 9.318 -8.888 -8.888 158 1HA GLY 21 1HA GLY 21 10.488 -7.486 -7.486 159 2HA GLY 21 2HA GLY 21 12.006 -8.100 -8.100 160 H LYS 22 H LYS 22 10.200 -7.953 -7.953 161 HA LYS 22 HA LYS 22 11.513 -5.654 -5.654 162 1HB LYS 22 2HB LYS 22 9.440 -7.543 -7.543 163 2HB LYS 22 1HB LYS 22 9.773 -6.053 -6.053 164 1HG LYS 22 2HG LYS 22 12.281 -6.697 -6.697 165 2HG LYS 22 1HG LYS 22 11.739 -8.280 -8.280 166 1HD LYS 22 2HD LYS 22 10.889 -6.936 -6.936 167 2HD LYS 22 1HD LYS 22 12.155 -8.140 -8.140 168 1HE LYS 22 2HE LYS 22 9.359 -8.723 -8.723 169 2HE LYS 22 1HE LYS 22 9.735 -8.921 -8.921 170 1HZ LYS 22 1HZ LYS 22 10.591 -10.908 -10.908 171 2HZ LYS 22 2HZ LYS 22 11.791 -10.171 -10.171 172 H THR 23 H THR 23 8.155 -5.669 -5.669 173 HA THR 23 HA THR 23 7.408 -3.682 -3.682 174 HB THR 23 HB THR 23 7.558 -2.999 -2.999 175 HG1 THR 23 1HG THR 23 9.672 -2.902 -2.902 176 1HG2 THR 23 2HG2 THR 23 6.883 -1.410 -1.410 177 2HG2 THR 23 3HG2 THR 23 7.313 -0.641 -0.641 178 3HG2 THR 23 1HG2 THR 23 5.848 -1.645 -1.645 179 H ALA 24 H ALA 24 5.083 -2.898 -2.898 180 HA ALA 24 HA ALA 24 3.444 -4.428 -4.428 181 1HB ALA 24 1HB ALA 24 4.295 -5.863 -5.863 182 2HB ALA 24 2HB ALA 24 2.657 -5.299 -5.299 183 3HB ALA 24 3HB ALA 24 2.924 -6.262 -6.262 184 H ILE 25 H ILE 25 1.696 -3.144 -3.144 185 HA ILE 25 HA ILE 25 1.235 -1.027 -1.027 186 HB ILE 25 HB ILE 25 -0.151 -1.238 -1.238 187 1HG1 ILE 25 2HG1 ILE 25 2.761 -0.547 -0.547 188 2HG1 ILE 25 3HG1 ILE 25 2.075 -1.728 -1.728 189 1HG2 ILE 25 1HG2 ILE 25 0.839 1.048 1.048 190 2HG2 ILE 25 2HG2 ILE 25 0.114 1.239 1.239 191 3HG2 ILE 25 3HG2 ILE 25 -0.846 0.551 0.551 192 1HD1 ILE 25 3HD1 ILE 25 0.869 0.209 0.209 193 2HD1 ILE 25 1HD1 ILE 25 1.863 1.305 1.305 194 3HD1 ILE 25 2HD1 ILE 25 2.641 0.194 0.194 195 H CYS 26 H CYS 26 -0.592 -0.868 -0.868 196 HA CYS 26 HA CYS 26 -2.674 -2.851 -2.851 197 1HB CYS 26 2HB CYS 26 -1.705 -3.903 -3.903 198 2HB CYS 26 1HB CYS 26 -1.120 -2.417 -2.417 199 H LYS 27 H LYS 27 -4.178 -1.376 -1.376 200 HA LYS 27 HA LYS 27 -4.511 1.222 1.222 201 1HB LYS 27 2HB LYS 27 -6.861 -0.674 -0.674 202 2HB LYS 27 1HB LYS 27 -6.775 0.992 0.992 203 1HG LYS 27 2HG LYS 27 -6.146 0.213 0.213 204 2HG LYS 27 1HG LYS 27 -4.610 -0.228 -0.228 205 1HD LYS 27 2HD LYS 27 -5.698 -2.157 -2.157 206 2HD LYS 27 1HD LYS 27 -5.431 -2.477 -2.477 207 1HE LYS 27 2HE LYS 27 -7.715 -2.319 -2.319 208 2HE LYS 27 1HE LYS 27 -8.074 -1.265 -1.265 209 1HZ LYS 27 1HZ LYS 27 -8.085 -4.128 -4.128 210 2HZ LYS 27 2HZ LYS 27 -8.766 -3.135 -3.135 211 H CYS 28 H CYS 28 -5.563 2.582 2.582 212 HA CYS 28 HA CYS 28 -5.634 1.444 1.444 213 1HB CYS 28 2HB CYS 28 -6.051 4.301 4.301 214 2HB CYS 28 1HB CYS 28 -5.893 3.759 3.759 215 H TYR 29 H TYR 29 -7.518 0.546 0.546 216 HA TYR 29 HA TYR 29 -10.025 1.449 1.449 217 1HB TYR 29 2HB TYR 29 -9.074 -1.029 -1.029 218 2HB TYR 29 1HB TYR 29 -9.457 -0.906 -0.906 219 HD1 TYR 29 HD2 TYR 29 -11.178 -0.162 -0.162 220 HD2 TYR 29 HD1 TYR 29 -11.451 -1.884 -1.884 221 HE1 TYR 29 HE2 TYR 29 -13.567 -0.886 -0.886 222 HE2 TYR 29 HE1 TYR 29 -13.840 -2.602 -2.602 223 HH TYR 29 HH TYR 29 -15.152 -2.440 -2.440 224 H VAL 30 H VAL 30 -11.483 2.632 2.632 225 HA VAL 30 HA VAL 30 -12.485 3.644 3.644 226 HB VAL 30 HB VAL 30 -11.229 1.770 1.770 227 1HG1 VAL 30 1HG1 VAL 30 -13.666 3.453 3.453 228 2HG1 VAL 30 2HG1 VAL 30 -13.878 1.860 1.860 229 3HG1 VAL 30 3HG1 VAL 30 -12.686 3.010 3.010 230 1HG2 VAL 30 3HG2 VAL 30 -13.003 1.046 1.046 231 2HG2 VAL 30 1HG2 VAL 30 -11.769 0.083 0.083 232 3HG2 VAL 30 2HG2 VAL 30 -13.371 0.322 0.322 233 H LYS 31 H LYS 31 -9.469 2.521 2.521 234 HA LYS 31 HA LYS 31 -9.016 5.155 5.155 235 1HB LYS 31 2HB LYS 31 -8.246 2.546 2.546 236 2HB LYS 31 1HB LYS 31 -6.755 3.339 3.339 237 1HG LYS 31 2HG LYS 31 -7.129 5.154 5.154 238 2HG LYS 31 1HG LYS 31 -8.763 4.611 4.611 239 1HD LYS 31 2HD LYS 31 -7.076 2.360 2.360 240 2HD LYS 31 1HD LYS 31 -6.267 3.736 3.736 241 1HE LYS 31 2HE LYS 31 -8.014 4.157 4.157 242 2HE LYS 31 1HE LYS 31 -9.235 3.460 3.460 243 1HZ LYS 31 1HZ LYS 31 -8.996 1.744 1.744 244 2HZ LYS 31 2HZ LYS 31 -7.774 1.297 1.297 245 H LYS 32 H LYS 32 -9.214 5.895 5.895 246 HA LYS 32 HA LYS 32 -7.299 5.476 5.476 247 1HB LYS 32 2HB LYS 32 -8.782 6.884 6.884 248 2HB LYS 32 1HB LYS 32 -9.225 7.573 7.573 249 1HG LYS 32 2HG LYS 32 -7.196 9.013 9.013 250 2HG LYS 32 1HG LYS 32 -6.692 8.293 8.293 251 1HD LYS 32 2HD LYS 32 -7.881 10.530 10.530 252 2HD LYS 32 1HD LYS 32 -8.571 9.234 9.234 253 1HE LYS 32 2HE LYS 32 -10.456 9.003 9.003 254 2HE LYS 32 1HE LYS 32 -9.644 9.731 9.731 255 1HZ LYS 32 1HZ LYS 32 -10.370 11.742 11.742 256 2HZ LYS 32 2HZ LYS 32 -9.778 11.578 11.578 257 H CYS 33 H CYS 33 -5.382 6.796 6.796 258 HA CYS 33 HA CYS 33 -3.563 6.901 6.901 259 1HB CYS 33 2HB CYS 33 -2.779 6.335 6.335 260 2HB CYS 33 1HB CYS 33 -3.417 7.809 7.809 261 HA PRO 34 HA PRO 34 -4.351 11.001 11.001 262 1HB PRO 34 2HB PRO 34 -2.167 11.414 11.414 263 2HB PRO 34 1HB PRO 34 -3.596 10.556 10.556 264 1HG PRO 34 2HG PRO 34 -0.955 9.465 9.465 265 2HG PRO 34 1HG PRO 34 -2.232 8.704 8.704 266 1HD PRO 34 2HD PRO 34 -1.568 8.196 8.196 267 2HD PRO 34 1HD PRO 34 -2.916 7.522 7.522 268 H ARG 35 H ARG 35 -1.098 10.319 10.319 269 HA ARG 35 HA ARG 35 -1.309 12.351 12.351 270 1HB ARG 35 2HB ARG 35 0.630 13.774 13.774 271 2HB ARG 35 1HB ARG 35 -0.934 13.977 13.977 272 1HG ARG 35 2HG ARG 35 -0.237 12.275 12.275 273 2HG ARG 35 1HG ARG 35 1.356 12.234 12.234 274 1HD ARG 35 2HD ARG 35 -0.005 14.622 14.622 275 2HD ARG 35 1HD ARG 35 1.447 13.798 13.798 276 HE ARG 35 HE ARG 35 2.212 14.610 14.610 277 1HH1 ARG 35 2HH2 ARG 35 0.579 16.378 16.378 278 2HH1 ARG 35 1HH2 ARG 35 1.240 17.912 17.912 279 HH2 ARG 35 1HH ARG 35 2.710 18.038 18.038 280 H ASP 36 H ASP 36 0.456 12.219 12.219 281 HA ASP 36 HA ASP 36 1.594 9.894 9.894 282 1HB ASP 36 2HB ASP 36 2.091 11.344 11.344 283 2HB ASP 36 1HB ASP 36 2.327 12.703 12.703 284 HD2 ASP 36 2HD ASP 36 4.032 13.080 13.080 285 H GLY 37 H GLY 37 3.365 8.666 8.666 286 1HA GLY 37 1HA GLY 37 5.405 8.355 8.355 287 2HA GLY 37 2HA GLY 37 5.308 9.954 9.954 288 H ALA 38 H ALA 38 2.367 9.420 9.420 289 HA ALA 38 HA ALA 38 2.634 8.880 8.880 290 1HB ALA 38 3HB ALA 38 0.407 8.165 8.165 291 2HB ALA 38 1HB ALA 38 0.241 7.988 7.988 292 3HB ALA 38 2HB ALA 38 0.533 9.594 9.594 293 H LYS 39 H LYS 39 3.348 7.216 7.216 294 HA LYS 39 HA LYS 39 4.098 4.782 4.782 295 1HB LYS 39 2HB LYS 39 5.395 5.796 5.796 296 2HB LYS 39 1HB LYS 39 4.047 5.601 5.601 297 1HG LYS 39 2HG LYS 39 4.886 3.120 3.120 298 2HG LYS 39 1HG LYS 39 6.056 3.755 3.755 299 1HD LYS 39 2HD LYS 39 3.136 3.388 3.388 300 2HD LYS 39 1HD LYS 39 4.279 2.065 2.065 301 1HE LYS 39 2HE LYS 39 5.757 3.528 3.528 302 2HE LYS 39 1HE LYS 39 4.519 4.767 4.767 303 1HZ LYS 39 1HZ LYS 39 4.613 2.728 2.728 304 2HZ LYS 39 2HZ LYS 39 3.294 3.636 3.636 305 H CYS 40 H CYS 40 3.250 2.661 2.661 306 HA CYS 40 HA CYS 40 0.859 2.355 2.355 307 1HB CYS 40 2HB CYS 40 -0.265 3.318 3.318 308 2HB CYS 40 1HB CYS 40 0.711 2.461 2.461 309 H GLU 41 H GLU 41 0.139 -0.021 -0.021 310 HA GLU 41 HA GLU 41 2.371 -1.662 -1.662 311 1HB GLU 41 2HB GLU 41 1.437 -3.145 -3.145 312 2HB GLU 41 1HB GLU 41 2.744 -1.988 -1.988 313 1HG GLU 41 2HG GLU 41 -0.144 -1.108 -1.108 314 2HG GLU 41 1HG GLU 41 0.726 -1.851 -1.851 315 HE1 GLU 41 2HE GLU 41 3.123 0.887 0.887 316 H PHE 42 H PHE 42 1.816 -3.500 -3.500 317 HA PHE 42 HA PHE 42 -1.009 -3.748 -3.748 318 1HB PHE 42 2HB PHE 42 0.755 -3.612 -3.612 319 2HB PHE 42 1HB PHE 42 1.592 -4.982 -4.982 320 HD1 PHE 42 2HD PHE 42 -1.820 -4.142 -4.142 321 HD2 PHE 42 1HD PHE 42 1.278 -7.029 -7.029 322 HE1 PHE 42 2HE PHE 42 -3.141 -5.699 -5.699 323 HE2 PHE 42 1HE PHE 42 -0.043 -8.586 -8.586 324 HZ PHE 42 HZ PHE 42 -2.237 -7.903 -7.903 325 H ASP 43 H ASP 43 -2.271 -5.234 -5.234 326 HA ASP 43 HA ASP 43 -0.939 -7.294 -7.294 327 1HB ASP 43 2HB ASP 43 -3.909 -6.628 -6.628 328 2HB ASP 43 1HB ASP 43 -3.229 -7.756 -7.756 329 HD1 ASP 43 2HD ASP 43 -2.021 -4.041 -4.041 330 H SER 44 H SER 44 -0.738 -9.388 -9.388 331 HA SER 44 HA SER 44 -1.819 -9.950 -9.950 332 1HB SER 44 2HB SER 44 -0.516 -11.920 -11.920 333 2HB SER 44 1HB SER 44 0.405 -10.783 -10.783 334 HG SER 44 HG SER 44 0.091 -12.981 -12.981 335 H TYR 45 H TYR 45 -2.982 -10.185 -10.185 336 HA TYR 45 HA TYR 45 -4.456 -12.511 -12.511 337 1HB TYR 45 2HB TYR 45 -5.387 -11.456 -11.456 338 2HB TYR 45 1HB TYR 45 -3.988 -10.427 -10.427 339 HD1 TYR 45 HD1 TYR 45 -4.555 -8.510 -8.510 340 HD2 TYR 45 HD2 TYR 45 -7.316 -10.305 -10.305 341 HE1 TYR 45 HE1 TYR 45 -6.085 -6.489 -6.489 342 HE2 TYR 45 HE2 TYR 45 -8.836 -8.279 -8.279 343 HH TYR 45 HH TYR 45 -9.036 -6.257 -6.257 344 H LYS 46 H LYS 46 -4.927 -9.555 -9.555 345 HA LYS 46 HA LYS 46 -7.134 -10.783 -10.783 346 1HB LYS 46 2HB LYS 46 -8.753 -9.865 -9.865 347 2HB LYS 46 1HB LYS 46 -7.627 -8.855 -8.855 348 1HG LYS 46 2HG LYS 46 -7.825 -7.063 -7.063 349 2HG LYS 46 1HG LYS 46 -8.231 -8.095 -8.095 350 1HD LYS 46 2HD LYS 46 -10.236 -8.260 -8.260 351 2HD LYS 46 1HD LYS 46 -10.044 -6.624 -6.624 352 1HE LYS 46 2HE LYS 46 -10.195 -7.717 -7.717 353 2HE LYS 46 1HE LYS 46 -10.850 -9.109 -9.109 354 1HZ LYS 46 1HZ LYS 46 -12.660 -7.809 -7.809 355 2HZ LYS 46 2HZ LYS 46 -11.975 -6.393 -6.393 356 H GLY 47 H GLY 47 -5.156 -7.818 -7.818 357 1HA GLY 47 1HA GLY 47 -3.649 -7.204 -7.204 358 2HA GLY 47 2HA GLY 47 -4.949 -7.528 -7.528 359 H LYS 48 H LYS 48 -6.117 -6.161 -6.161 360 HA LYS 48 HA LYS 48 -6.898 -3.785 -3.785 361 1HB LYS 48 2HB LYS 48 -7.765 -5.252 -5.252 362 2HB LYS 48 1HB LYS 48 -7.183 -3.752 -3.752 363 1HG LYS 48 2HG LYS 48 -8.903 -3.614 -3.614 364 2HG LYS 48 1HG LYS 48 -9.679 -3.966 -3.966 365 1HD LYS 48 2HD LYS 48 -7.959 -1.524 -1.524 366 2HD LYS 48 1HD LYS 48 -9.696 -1.537 -1.537 367 1HE LYS 48 2HE LYS 48 -9.083 -2.606 -2.606 368 2HE LYS 48 1HE LYS 48 -7.507 -1.902 -1.902 369 1HZ LYS 48 1HZ LYS 48 -8.641 -0.178 -0.178 370 2HZ LYS 48 2HZ LYS 48 -8.902 0.220 0.220 371 H CYS 49 H CYS 49 -5.746 -1.955 -1.955 372 HA CYS 49 HA CYS 49 -3.167 -1.740 -1.740 373 1HB CYS 49 2HB CYS 49 -3.184 -0.634 -0.634 374 2HB CYS 49 1HB CYS 49 -4.877 -0.199 -0.199 375 H TYR 50 H TYR 50 -3.223 -1.709 -1.709 376 HA TYR 50 HA TYR 50 -5.107 -0.145 -0.145 377 1HB TYR 50 2HB TYR 50 -2.552 -1.741 -1.741 378 2HB TYR 50 1HB TYR 50 -3.058 -0.679 -0.679 379 HD1 TYR 50 HD2 TYR 50 -5.628 -2.240 -2.240 380 HD2 TYR 50 HD1 TYR 50 -3.319 -2.630 -2.630 381 HE1 TYR 50 HE2 TYR 50 -7.225 -4.030 -4.030 382 HE2 TYR 50 HE1 TYR 50 -4.923 -4.418 -4.418 383 HH TYR 50 HH TYR 50 -6.561 -6.146 -6.146 384 H CYS 51 H CYS 51 -4.414 1.784 1.784 385 HA CYS 51 HA CYS 51 -2.045 3.138 3.138 386 1HB CYS 51 2HB CYS 51 -4.559 4.554 4.554 387 2HB CYS 51 1HB CYS 51 -2.900 4.889 4.889 Start of MODEL 27 1 H ALA 1 H ALA 1 2.983 -11.622 -11.622 2 HA ALA 1 HA ALA 1 4.975 -11.029 -11.029 3 1HB ALA 1 2HB ALA 1 3.558 -13.082 -13.082 4 2HB ALA 1 3HB ALA 1 2.183 -12.122 -12.122 5 3HB ALA 1 1HB ALA 1 3.625 -12.341 -12.341 6 H THR 2 H THR 2 3.109 -8.731 -8.731 7 HA THR 2 HA THR 2 1.910 -7.615 -7.615 8 HB THR 2 HB THR 2 2.649 -5.949 -5.949 9 HG1 THR 2 1HG THR 2 0.892 -7.235 -7.235 10 1HG2 THR 2 1HG2 THR 2 0.887 -5.449 -5.449 11 2HG2 THR 2 2HG2 THR 2 -0.133 -6.595 -6.595 12 3HG2 THR 2 3HG2 THR 2 0.447 -5.109 -5.109 13 H TYR 3 H TYR 3 2.593 -6.002 -6.002 14 HA TYR 3 HA TYR 3 5.487 -5.510 -5.510 15 1HB TYR 3 2HB TYR 3 3.357 -5.353 -5.353 16 2HB TYR 3 1HB TYR 3 5.062 -5.043 -5.043 17 HD1 TYR 3 HD2 TYR 3 2.868 -7.744 -7.744 18 HD2 TYR 3 HD1 TYR 3 6.342 -6.767 -6.767 19 HE1 TYR 3 HE2 TYR 3 3.249 -10.210 -10.210 20 HE2 TYR 3 HE1 TYR 3 6.711 -9.236 -9.236 21 HH TYR 3 HH TYR 3 4.389 -11.519 -11.519 22 H ASN 4 H ASN 4 6.184 -3.490 -3.490 23 HA ASN 4 HA ASN 4 4.183 -1.431 -1.431 24 1HB ASN 4 2HB ASN 4 7.117 -1.586 -1.586 25 2HB ASN 4 1HB ASN 4 6.181 -0.112 -0.112 26 1HD2 ASN 4 1HD2 ASN 4 5.089 -3.455 -3.455 27 2HD2 ASN 4 2HD2 ASN 4 4.647 -3.355 -3.355 28 H GLY 5 H GLY 5 4.605 0.740 0.740 29 1HA GLY 5 1HA GLY 5 6.736 1.182 1.182 30 2HA GLY 5 2HA GLY 5 5.344 0.593 0.593 31 H LYS 6 H LYS 6 4.673 2.467 2.467 32 HA LYS 6 HA LYS 6 3.608 4.532 4.532 33 1HB LYS 6 2HB LYS 6 5.228 5.280 5.280 34 2HB LYS 6 1HB LYS 6 4.628 6.326 6.326 35 1HG LYS 6 2HG LYS 6 6.128 5.222 5.222 36 2HG LYS 6 1HG LYS 6 6.694 4.112 4.112 37 1HD LYS 6 2HD LYS 6 7.259 6.384 6.384 38 2HD LYS 6 1HD LYS 6 7.257 7.063 7.063 39 1HE LYS 6 2HE LYS 6 8.775 4.852 4.852 40 2HE LYS 6 1HE LYS 6 9.142 5.070 5.070 41 1HZ LYS 6 1HZ LYS 6 9.541 7.523 7.523 42 2HZ LYS 6 2HZ LYS 6 9.675 6.935 6.935 43 H CYS 7 H CYS 7 1.946 5.873 5.873 44 HA CYS 7 HA CYS 7 0.834 4.454 4.454 45 1HB CYS 7 2HB CYS 7 -1.388 5.465 5.465 46 2HB CYS 7 1HB CYS 7 -0.811 3.825 3.825 47 H TYR 8 H TYR 8 -0.628 5.932 5.932 48 HA TYR 8 HA TYR 8 0.350 8.702 8.702 49 1HB TYR 8 2HB TYR 8 -0.494 6.837 6.837 50 2HB TYR 8 1HB TYR 8 -0.219 8.549 8.549 51 HD1 TYR 8 HD2 TYR 8 1.589 5.684 5.684 52 HD2 TYR 8 HD1 TYR 8 1.828 9.106 9.106 53 HE1 TYR 8 HE2 TYR 8 4.063 5.237 5.237 54 HE2 TYR 8 HE1 TYR 8 4.302 8.648 8.648 55 HH TYR 8 HH TYR 8 5.742 5.710 5.710 56 H LYS 9 H LYS 9 -1.137 10.413 10.413 57 HA LYS 9 HA LYS 9 -3.873 9.649 9.649 58 1HB LYS 9 2HB LYS 9 -4.177 11.813 11.813 59 2HB LYS 9 1HB LYS 9 -2.502 11.504 11.504 60 1HG LYS 9 2HG LYS 9 -1.761 12.674 12.674 61 2HG LYS 9 1HG LYS 9 -3.430 12.945 12.945 62 1HD LYS 9 2HD LYS 9 -2.777 13.871 13.871 63 2HD LYS 9 1HD LYS 9 -1.882 14.702 14.702 64 1HE LYS 9 2HE LYS 9 -4.388 14.716 14.716 65 2HE LYS 9 1HE LYS 9 -4.819 14.731 14.731 66 1HZ LYS 9 1HZ LYS 9 -2.702 16.568 16.568 67 2HZ LYS 9 2HZ LYS 9 -3.969 16.899 16.899 68 H LYS 10 H LYS 10 -2.018 11.554 11.554 69 HA LYS 10 HA LYS 10 -4.201 12.095 12.095 70 1HB LYS 10 2HB LYS 10 -1.378 12.497 12.497 71 2HB LYS 10 1HB LYS 10 -1.818 11.800 11.800 72 1HG LYS 10 2HG LYS 10 -3.790 13.559 13.559 73 2HG LYS 10 1HG LYS 10 -2.829 14.366 14.366 74 1HD LYS 10 2HD LYS 10 -1.328 15.140 15.140 75 2HD LYS 10 1HD LYS 10 -1.181 13.573 13.573 76 1HE LYS 10 2HE LYS 10 -3.361 13.987 13.987 77 2HE LYS 10 1HE LYS 10 -3.445 15.576 15.576 78 1HZ LYS 10 1HZ LYS 10 -0.911 15.239 15.239 79 2HZ LYS 10 2HZ LYS 10 -2.063 14.888 14.888 80 H ASP 11 H ASP 11 -2.490 9.124 9.124 81 HA ASP 11 HA ASP 11 -3.701 7.962 7.962 82 1HB ASP 11 2HB ASP 11 -1.226 7.429 7.429 83 2HB ASP 11 1HB ASP 11 -2.090 5.987 5.987 84 HD1 ASP 11 2HD ASP 11 -0.377 8.733 8.733 85 H ASN 12 H ASN 12 -3.620 8.107 8.107 86 HA ASN 12 HA ASN 12 -4.720 7.118 7.118 87 1HB ASN 12 2HB ASN 12 -6.772 7.858 7.858 88 2HB ASN 12 1HB ASN 12 -6.651 6.685 6.685 89 1HD2 ASN 12 2HD2 ASN 12 -7.649 5.350 5.350 90 2HD2 ASN 12 1HD2 ASN 12 -6.505 6.627 6.627 91 H ILE 13 H ILE 13 -2.654 5.535 5.535 92 HA ILE 13 HA ILE 13 -3.796 2.852 2.852 93 HB ILE 13 HB ILE 13 -2.041 2.079 2.079 94 1HG1 ILE 13 2HG1 ILE 13 -1.444 4.107 4.107 95 2HG1 ILE 13 3HG1 ILE 13 -1.537 5.017 5.017 96 1HG2 ILE 13 1HG2 ILE 13 -4.585 3.179 3.179 97 2HG2 ILE 13 2HG2 ILE 13 -3.544 3.763 3.763 98 3HG2 ILE 13 3HG2 ILE 13 -3.691 2.017 2.017 99 1HD1 ILE 13 3HD1 ILE 13 0.074 2.442 2.442 100 2HD1 ILE 13 1HD1 ILE 13 0.766 4.040 4.040 101 3HD1 ILE 13 2HD1 ILE 13 0.169 3.687 3.687 102 H CYS 14 H CYS 14 -1.662 1.291 1.291 103 HA CYS 14 HA CYS 14 0.010 2.655 2.655 104 1HB CYS 14 2HB CYS 14 -1.482 1.580 1.580 105 2HB CYS 14 1HB CYS 14 -1.650 0.186 0.186 106 H LYS 15 H LYS 15 2.169 2.301 2.301 107 HA LYS 15 HA LYS 15 2.776 0.088 0.088 108 1HB LYS 15 2HB LYS 15 4.001 2.822 2.822 109 2HB LYS 15 1HB LYS 15 4.888 1.524 1.524 110 1HG LYS 15 2HG LYS 15 2.995 1.224 1.224 111 2HG LYS 15 1HG LYS 15 2.146 2.556 2.556 112 1HD LYS 15 2HD LYS 15 3.786 4.160 4.160 113 2HD LYS 15 1HD LYS 15 4.972 2.920 2.920 114 1HE LYS 15 2HE LYS 15 2.749 2.244 2.244 115 2HE LYS 15 1HE LYS 15 2.832 3.992 3.992 116 1HZ LYS 15 1HZ LYS 15 4.807 3.895 3.895 117 2HZ LYS 15 2HZ LYS 15 5.388 2.633 2.633 118 H TYR 16 H TYR 16 3.821 -1.625 -1.625 119 HA TYR 16 HA TYR 16 5.707 -1.142 -1.142 120 1HB TYR 16 2HB TYR 16 4.580 -2.963 -2.963 121 2HB TYR 16 1HB TYR 16 3.427 -1.685 -1.685 122 HD1 TYR 16 HD1 TYR 16 1.952 -2.000 -2.000 123 HD2 TYR 16 HD2 TYR 16 4.020 -5.173 -5.173 124 HE1 TYR 16 HE1 TYR 16 0.386 -3.697 -3.697 125 HE2 TYR 16 HE2 TYR 16 2.447 -6.859 -6.859 126 HH TYR 16 HH TYR 16 -0.029 -5.802 -5.802 127 H LYS 17 H LYS 17 6.849 -3.347 -3.347 128 HA LYS 17 HA LYS 17 7.801 -4.350 -4.350 129 1HB LYS 17 2HB LYS 17 8.692 -4.246 -4.246 130 2HB LYS 17 1HB LYS 17 8.935 -5.841 -5.841 131 1HG LYS 17 2HG LYS 17 10.142 -4.872 -4.872 132 2HG LYS 17 1HG LYS 17 9.821 -3.250 -3.250 133 1HD LYS 17 2HD LYS 17 11.284 -3.484 -3.484 134 2HD LYS 17 1HD LYS 17 11.254 -5.234 -5.234 135 1HE LYS 17 2HE LYS 17 12.881 -5.336 -5.336 136 2HE LYS 17 1HE LYS 17 12.283 -3.916 -3.916 137 1HZ LYS 17 1HZ LYS 17 13.590 -3.601 -3.601 138 2HZ LYS 17 2HZ LYS 17 14.507 -3.756 -3.756 139 H ALA 18 H ALA 18 7.900 -6.673 -6.673 140 HA ALA 18 HA ALA 18 5.463 -8.014 -8.014 141 1HB ALA 18 3HB ALA 18 6.769 -7.650 -7.650 142 2HB ALA 18 1HB ALA 18 6.223 -9.311 -9.311 143 3HB ALA 18 2HB ALA 18 5.063 -7.963 -7.963 144 H GLN 19 H GLN 19 5.639 -10.480 -10.480 145 HA GLN 19 HA GLN 19 7.338 -11.346 -11.346 146 1HB GLN 19 2HB GLN 19 5.648 -12.848 -12.848 147 2HB GLN 19 1HB GLN 19 6.088 -12.754 -12.754 148 1HG GLN 19 2HG GLN 19 8.257 -13.777 -13.777 149 2HG GLN 19 1HG GLN 19 6.832 -14.796 -14.796 150 1HE2 GLN 19 2HE2 GLN 19 9.399 -15.492 -15.492 151 2HE2 GLN 19 1HE2 GLN 19 9.569 -15.127 -15.127 152 H SER 20 H SER 20 7.967 -12.147 -12.147 153 HA SER 20 HA SER 20 10.439 -13.057 -13.057 154 1HB SER 20 2HB SER 20 8.825 -11.874 -11.874 155 2HB SER 20 1HB SER 20 10.459 -11.269 -11.269 156 HG SER 20 HG SER 20 10.261 -14.039 -14.039 157 H GLY 21 H GLY 21 9.526 -9.552 -9.552 158 1HA GLY 21 1HA GLY 21 11.029 -8.322 -8.322 159 2HA GLY 21 2HA GLY 21 12.304 -8.814 -8.814 160 H LYS 22 H LYS 22 9.960 -8.610 -8.610 161 HA LYS 22 HA LYS 22 10.795 -6.148 -6.148 162 1HB LYS 22 2HB LYS 22 9.882 -8.105 -8.105 163 2HB LYS 22 1HB LYS 22 8.282 -7.687 -7.687 164 1HG LYS 22 2HG LYS 22 8.819 -5.282 -5.282 165 2HG LYS 22 1HG LYS 22 10.096 -6.081 -6.081 166 1HD LYS 22 2HD LYS 22 7.283 -7.207 -7.207 167 2HD LYS 22 1HD LYS 22 7.689 -5.822 -5.822 168 1HE LYS 22 2HE LYS 22 9.517 -8.235 -8.235 169 2HE LYS 22 1HE LYS 22 8.010 -8.300 -8.300 170 1HZ LYS 22 1HZ LYS 22 9.931 -6.066 -6.066 171 2HZ LYS 22 2HZ LYS 22 9.978 -7.400 -7.400 172 H THR 23 H THR 23 7.456 -6.005 -6.005 173 HA THR 23 HA THR 23 6.800 -4.668 -4.668 174 HB THR 23 HB THR 23 7.763 -3.136 -3.136 175 HG1 THR 23 1HG THR 23 9.019 -3.007 -3.007 176 1HG2 THR 23 2HG2 THR 23 5.259 -2.546 -2.546 177 2HG2 THR 23 3HG2 THR 23 5.779 -1.964 -1.964 178 3HG2 THR 23 1HG2 THR 23 6.422 -1.204 -1.204 179 H ALA 24 H ALA 24 4.553 -3.929 -3.929 180 HA ALA 24 HA ALA 24 2.970 -4.860 -4.860 181 1HB ALA 24 1HB ALA 24 2.801 -5.911 -5.911 182 2HB ALA 24 2HB ALA 24 1.457 -6.049 -6.049 183 3HB ALA 24 3HB ALA 24 3.015 -6.838 -6.838 184 H ILE 25 H ILE 25 1.078 -3.662 -3.662 185 HA ILE 25 HA ILE 25 0.816 -1.410 -1.410 186 HB ILE 25 HB ILE 25 -0.439 -1.539 -1.539 187 1HG1 ILE 25 2HG1 ILE 25 2.449 -0.793 -0.793 188 2HG1 ILE 25 3HG1 ILE 25 1.907 -2.211 -2.211 189 1HG2 ILE 25 1HG2 ILE 25 -0.011 0.446 0.446 190 2HG2 ILE 25 2HG2 ILE 25 0.559 0.999 0.999 191 3HG2 ILE 25 3HG2 ILE 25 -1.125 0.460 0.460 192 1HD1 ILE 25 3HD1 ILE 25 0.595 -0.475 -0.475 193 2HD1 ILE 25 1HD1 ILE 25 1.746 0.698 0.698 194 3HD1 ILE 25 2HD1 ILE 25 2.345 -0.699 -0.699 195 H CYS 26 H CYS 26 -1.103 -1.006 -1.006 196 HA CYS 26 HA CYS 26 -3.326 -2.785 -2.785 197 1HB CYS 26 2HB CYS 26 -1.987 -3.766 -3.766 198 2HB CYS 26 1HB CYS 26 -2.310 -2.326 -2.326 199 H LYS 27 H LYS 27 -4.680 -1.159 -1.159 200 HA LYS 27 HA LYS 27 -4.715 1.459 1.459 201 1HB LYS 27 2HB LYS 27 -7.283 1.209 1.209 202 2HB LYS 27 1HB LYS 27 -6.101 0.920 0.920 203 1HG LYS 27 2HG LYS 27 -6.347 -1.428 -1.428 204 2HG LYS 27 1HG LYS 27 -6.955 -1.394 -1.394 205 1HD LYS 27 2HD LYS 27 -9.074 -1.417 -1.417 206 2HD LYS 27 1HD LYS 27 -8.799 0.145 0.145 207 1HE LYS 27 2HE LYS 27 -7.787 -1.045 -1.045 208 2HE LYS 27 1HE LYS 27 -8.215 -2.575 -2.575 209 1HZ LYS 27 1HZ LYS 27 -9.915 -0.736 -0.736 210 2HZ LYS 27 2HZ LYS 27 -10.201 -2.292 -2.292 211 H CYS 28 H CYS 28 -5.665 2.832 2.832 212 HA CYS 28 HA CYS 28 -5.948 1.606 1.606 213 1HB CYS 28 2HB CYS 28 -5.599 4.318 4.318 214 2HB CYS 28 1HB CYS 28 -6.654 4.243 4.243 215 H TYR 29 H TYR 29 -7.864 0.454 0.454 216 HA TYR 29 HA TYR 29 -10.307 1.530 1.530 217 1HB TYR 29 2HB TYR 29 -11.001 -0.720 -0.720 218 2HB TYR 29 1HB TYR 29 -9.267 -0.975 -0.975 219 HD1 TYR 29 HD1 TYR 29 -8.102 -0.673 -0.673 220 HD2 TYR 29 HD2 TYR 29 -12.192 -1.730 -1.730 221 HE1 TYR 29 HE1 TYR 29 -8.221 -1.731 -1.731 222 HE2 TYR 29 HE2 TYR 29 -12.297 -2.785 -2.785 223 HH TYR 29 HH TYR 29 -11.161 -3.399 -3.399 224 H VAL 30 H VAL 30 -8.761 2.791 2.791 225 HA VAL 30 HA VAL 30 -11.101 2.884 2.884 226 HB VAL 30 HB VAL 30 -8.335 3.090 3.090 227 1HG1 VAL 30 1HG1 VAL 30 -11.004 3.098 3.098 228 2HG1 VAL 30 2HG1 VAL 30 -10.195 1.635 1.635 229 3HG1 VAL 30 3HG1 VAL 30 -9.476 3.237 3.237 230 1HG2 VAL 30 1HG2 VAL 30 -9.755 0.508 0.508 231 2HG2 VAL 30 2HG2 VAL 30 -8.123 1.032 1.032 232 3HG2 VAL 30 3HG2 VAL 30 -8.461 0.611 0.611 233 H LYS 31 H LYS 31 -9.336 4.771 4.771 234 HA LYS 31 HA LYS 31 -10.243 7.143 7.143 235 1HB LYS 31 2HB LYS 31 -9.115 6.307 6.307 236 2HB LYS 31 1HB LYS 31 -8.038 7.548 7.548 237 1HG LYS 31 2HG LYS 31 -9.535 9.047 9.047 238 2HG LYS 31 1HG LYS 31 -10.533 8.647 8.647 239 1HD LYS 31 2HD LYS 31 -12.113 7.931 7.931 240 2HD LYS 31 1HD LYS 31 -11.071 6.565 6.565 241 1HE LYS 31 2HE LYS 31 -10.750 7.321 7.321 242 2HE LYS 31 1HE LYS 31 -10.046 8.800 8.800 243 1HZ LYS 31 1HZ LYS 31 -12.899 8.808 8.808 244 2HZ LYS 31 2HZ LYS 31 -12.441 8.612 8.612 245 H LYS 32 H LYS 32 -9.579 7.909 7.909 246 HA LYS 32 HA LYS 32 -7.467 7.248 7.248 247 1HB LYS 32 2HB LYS 32 -9.016 8.708 8.708 248 2HB LYS 32 1HB LYS 32 -8.883 9.881 9.881 249 1HG LYS 32 2HG LYS 32 -6.461 10.278 10.278 250 2HG LYS 32 1HG LYS 32 -6.770 9.256 9.256 251 1HD LYS 32 2HD LYS 32 -7.051 11.748 11.748 252 2HD LYS 32 1HD LYS 32 -8.436 10.769 10.769 253 1HE LYS 32 2HE LYS 32 -9.737 11.534 11.534 254 2HE LYS 32 1HE LYS 32 -8.339 11.920 11.920 255 1HZ LYS 32 1HZ LYS 32 -9.191 13.976 13.976 256 2HZ LYS 32 2HZ LYS 32 -7.876 13.727 13.727 257 H CYS 33 H CYS 33 -5.287 7.998 7.998 258 HA CYS 33 HA CYS 33 -3.807 8.186 8.186 259 1HB CYS 33 2HB CYS 33 -3.219 7.634 7.634 260 2HB CYS 33 1HB CYS 33 -2.677 9.301 9.301 261 HA PRO 34 HA PRO 34 -4.184 12.445 12.445 262 1HB PRO 34 2HB PRO 34 -2.157 12.735 12.735 263 2HB PRO 34 1HB PRO 34 -3.733 12.098 12.098 264 1HG PRO 34 2HG PRO 34 -1.181 10.647 10.647 265 2HG PRO 34 1HG PRO 34 -2.639 10.121 10.121 266 1HD PRO 34 2HD PRO 34 -1.742 9.309 9.309 267 2HD PRO 34 1HD PRO 34 -3.255 8.874 8.874 268 H ARG 35 H ARG 35 -1.378 11.097 11.097 269 HA ARG 35 HA ARG 35 -1.008 13.038 13.038 270 1HB ARG 35 2HB ARG 35 1.154 14.153 14.153 271 2HB ARG 35 1HB ARG 35 -0.442 14.822 14.822 272 1HG ARG 35 2HG ARG 35 -0.568 13.999 13.999 273 2HG ARG 35 1HG ARG 35 0.489 12.641 12.641 274 1HD ARG 35 2HD ARG 35 1.456 14.565 14.565 275 2HD ARG 35 1HD ARG 35 2.462 13.971 13.971 276 HE ARG 35 HE ARG 35 0.741 16.171 16.171 277 1HH1 ARG 35 2HH2 ARG 35 3.811 15.396 15.396 278 2HH1 ARG 35 1HH2 ARG 35 4.538 16.920 16.920 279 HH2 ARG 35 1HH ARG 35 3.278 18.543 18.543 280 H ASP 36 H ASP 36 0.572 12.304 12.304 281 HA ASP 36 HA ASP 36 1.517 9.873 9.873 282 1HB ASP 36 2HB ASP 36 3.136 12.300 12.300 283 2HB ASP 36 1HB ASP 36 3.409 10.656 10.656 284 HD1 ASP 36 2HD ASP 36 -0.117 12.068 12.068 285 H GLY 37 H GLY 37 3.120 8.657 8.657 286 1HA GLY 37 1HA GLY 37 5.297 8.529 8.529 287 2HA GLY 37 2HA GLY 37 5.090 10.144 10.144 288 H ALA 38 H ALA 38 2.140 9.448 9.448 289 HA ALA 38 HA ALA 38 2.389 8.970 8.970 290 1HB ALA 38 1HB ALA 38 0.332 9.284 9.284 291 2HB ALA 38 2HB ALA 38 0.016 7.681 7.681 292 3HB ALA 38 3HB ALA 38 0.139 9.111 9.111 293 H LYS 39 H LYS 39 3.090 7.301 7.301 294 HA LYS 39 HA LYS 39 3.888 4.884 4.884 295 1HB LYS 39 2HB LYS 39 5.052 5.855 5.855 296 2HB LYS 39 1HB LYS 39 3.625 5.668 5.668 297 1HG LYS 39 2HG LYS 39 4.495 3.175 3.175 298 2HG LYS 39 1HG LYS 39 5.646 3.795 3.795 299 1HD LYS 39 2HD LYS 39 2.699 3.500 3.500 300 2HD LYS 39 1HD LYS 39 3.805 2.150 2.150 301 1HE LYS 39 2HE LYS 39 4.416 4.842 4.842 302 2HE LYS 39 1HE LYS 39 3.427 3.647 3.647 303 1HZ LYS 39 1HZ LYS 39 5.941 3.581 3.581 304 2HZ LYS 39 2HZ LYS 39 5.227 2.152 2.152 305 H CYS 40 H CYS 40 3.043 2.743 2.743 306 HA CYS 40 HA CYS 40 0.516 2.433 2.433 307 1HB CYS 40 2HB CYS 40 -0.541 3.246 3.246 308 2HB CYS 40 1HB CYS 40 0.683 2.644 2.644 309 H GLU 41 H GLU 41 -0.152 0.050 0.050 310 HA GLU 41 HA GLU 41 2.163 -1.591 -1.591 311 1HB GLU 41 2HB GLU 41 1.077 -3.010 -3.010 312 2HB GLU 41 1HB GLU 41 2.378 -1.853 -1.853 313 1HG GLU 41 2HG GLU 41 -0.558 -1.046 -1.046 314 2HG GLU 41 1HG GLU 41 0.344 -1.596 -1.596 315 HE1 GLU 41 2HE GLU 41 2.836 0.290 0.290 316 H PHE 42 H PHE 42 1.714 -3.484 -3.484 317 HA PHE 42 HA PHE 42 -1.098 -3.838 -3.838 318 1HB PHE 42 2HB PHE 42 0.301 -3.621 -3.621 319 2HB PHE 42 1HB PHE 42 1.644 -4.445 -4.445 320 HD1 PHE 42 1HD PHE 42 1.506 -6.953 -6.953 321 HD2 PHE 42 2HD PHE 42 -1.232 -4.801 -4.801 322 HE1 PHE 42 1HE PHE 42 0.865 -9.082 -9.082 323 HE2 PHE 42 2HE PHE 42 -1.873 -6.930 -6.930 324 HZ PHE 42 HZ PHE 42 -0.816 -9.045 -9.045 325 H ASP 43 H ASP 43 -2.249 -5.590 -5.590 326 HA ASP 43 HA ASP 43 -0.905 -7.423 -7.423 327 1HB ASP 43 2HB ASP 43 -3.778 -7.618 -7.618 328 2HB ASP 43 1HB ASP 43 -3.117 -8.263 -8.263 329 HD1 ASP 43 2HD ASP 43 -2.641 -6.468 -6.468 330 H SER 44 H SER 44 -0.450 -9.631 -9.631 331 HA SER 44 HA SER 44 -0.695 -10.294 -10.294 332 1HB SER 44 2HB SER 44 0.618 -12.421 -12.421 333 2HB SER 44 1HB SER 44 1.411 -10.995 -10.995 334 HG SER 44 HG SER 44 0.569 -11.356 -11.356 335 H TYR 45 H TYR 45 -2.335 -10.800 -10.800 336 HA TYR 45 HA TYR 45 -3.187 -13.441 -13.441 337 1HB TYR 45 2HB TYR 45 -4.618 -12.734 -12.734 338 2HB TYR 45 1HB TYR 45 -3.382 -11.493 -11.493 339 HD1 TYR 45 HD1 TYR 45 -3.984 -9.571 -9.571 340 HD2 TYR 45 HD2 TYR 45 -6.728 -11.877 -11.877 341 HE1 TYR 45 HE1 TYR 45 -5.768 -7.787 -7.787 342 HE2 TYR 45 HE2 TYR 45 -8.502 -10.086 -10.086 343 HH TYR 45 HH TYR 45 -9.046 -8.272 -8.272 344 H LYS 46 H LYS 46 -4.046 -10.548 -10.548 345 HA LYS 46 HA LYS 46 -5.840 -12.138 -12.138 346 1HB LYS 46 2HB LYS 46 -7.688 -11.458 -11.458 347 2HB LYS 46 1HB LYS 46 -6.829 -10.240 -10.240 348 1HG LYS 46 2HG LYS 46 -7.227 -8.564 -8.564 349 2HG LYS 46 1HG LYS 46 -7.190 -9.667 -9.667 350 1HD LYS 46 2HD LYS 46 -9.483 -8.811 -8.811 351 2HD LYS 46 1HD LYS 46 -9.428 -10.545 -10.545 352 1HE LYS 46 2HE LYS 46 -9.695 -10.375 -10.375 353 2HE LYS 46 1HE LYS 46 -8.977 -8.779 -8.779 354 1HZ LYS 46 1HZ LYS 46 -11.607 -9.282 -9.282 355 2HZ LYS 46 2HZ LYS 46 -11.454 -8.824 -8.824 356 H GLY 47 H GLY 47 -4.395 -8.905 -8.905 357 1HA GLY 47 1HA GLY 47 -2.768 -8.236 -8.236 358 2HA GLY 47 2HA GLY 47 -4.057 -8.532 -8.532 359 H LYS 48 H LYS 48 -5.577 -7.449 -7.449 360 HA LYS 48 HA LYS 48 -6.580 -5.166 -5.166 361 1HB LYS 48 2HB LYS 48 -6.943 -6.495 -6.495 362 2HB LYS 48 1HB LYS 48 -5.927 -5.223 -5.223 363 1HG LYS 48 2HG LYS 48 -8.282 -4.547 -4.547 364 2HG LYS 48 1HG LYS 48 -7.455 -3.499 -3.499 365 1HD LYS 48 2HD LYS 48 -9.766 -4.424 -4.424 366 2HD LYS 48 1HD LYS 48 -8.467 -4.523 -4.523 367 1HE LYS 48 2HE LYS 48 -8.209 -6.853 -6.853 368 2HE LYS 48 1HE LYS 48 -8.883 -6.851 -6.851 369 1HZ LYS 48 1HZ LYS 48 -10.953 -5.960 -5.960 370 2HZ LYS 48 2HZ LYS 48 -10.265 -7.055 -7.055 371 H CYS 49 H CYS 49 -6.168 -2.829 -2.829 372 HA CYS 49 HA CYS 49 -3.278 -2.369 -2.369 373 1HB CYS 49 2HB CYS 49 -3.609 -1.778 -1.778 374 2HB CYS 49 1HB CYS 49 -5.288 -1.339 -1.339 375 H TYR 50 H TYR 50 -3.497 -2.082 -2.082 376 HA TYR 50 HA TYR 50 -5.435 -0.364 -0.364 377 1HB TYR 50 2HB TYR 50 -2.757 -1.638 -1.638 378 2HB TYR 50 1HB TYR 50 -3.461 -0.479 -0.479 379 HD1 TYR 50 HD2 TYR 50 -6.389 -1.205 -1.205 380 HD2 TYR 50 HD1 TYR 50 -2.906 -3.629 -3.629 381 HE1 TYR 50 HE2 TYR 50 -7.820 -3.047 -3.047 382 HE2 TYR 50 HE1 TYR 50 -4.349 -5.464 -5.464 383 HH TYR 50 HH TYR 50 -7.795 -4.936 -4.936 384 H CYS 51 H CYS 51 -4.953 1.354 1.354 385 HA CYS 51 HA CYS 51 -2.619 2.917 2.917 386 1HB CYS 51 2HB CYS 51 -5.043 4.012 4.012 387 2HB CYS 51 1HB CYS 51 -3.348 4.202 4.202 Start of MODEL 28 1 H ALA 1 H ALA 1 2.159 -11.098 -11.098 2 HA ALA 1 HA ALA 1 4.702 -11.073 -11.073 3 1HB ALA 1 2HB ALA 1 2.687 -12.867 -12.867 4 2HB ALA 1 3HB ALA 1 2.112 -11.714 -11.714 5 3HB ALA 1 1HB ALA 1 3.711 -12.477 -12.477 6 H THR 2 H THR 2 2.485 -8.902 -8.902 7 HA THR 2 HA THR 2 1.609 -7.454 -7.454 8 HB THR 2 HB THR 2 2.598 -6.114 -6.114 9 HG1 THR 2 1HG THR 2 0.291 -7.891 -7.891 10 1HG2 THR 2 2HG2 THR 2 0.910 -5.266 -5.266 11 2HG2 THR 2 3HG2 THR 2 -0.252 -6.045 -6.045 12 3HG2 THR 2 1HG2 THR 2 0.779 -4.718 -4.718 13 H TYR 3 H TYR 3 2.388 -5.800 -5.800 14 HA TYR 3 HA TYR 3 5.318 -5.547 -5.547 15 1HB TYR 3 2HB TYR 3 3.299 -5.028 -5.028 16 2HB TYR 3 1HB TYR 3 5.034 -5.190 -5.190 17 HD1 TYR 3 HD1 TYR 3 6.108 -7.399 -7.399 18 HD2 TYR 3 HD2 TYR 3 1.867 -6.991 -6.991 19 HE1 TYR 3 HE1 TYR 3 5.818 -9.881 -9.881 20 HE2 TYR 3 HE2 TYR 3 1.592 -9.475 -9.475 21 HH TYR 3 HH TYR 3 3.712 -11.283 -11.283 22 H ASN 4 H ASN 4 6.001 -3.635 -3.635 23 HA ASN 4 HA ASN 4 4.169 -1.428 -1.428 24 1HB ASN 4 2HB ASN 4 6.965 -1.825 -1.825 25 2HB ASN 4 1HB ASN 4 6.107 -0.301 -0.301 26 1HD2 ASN 4 2HD2 ASN 4 4.042 -3.461 -3.461 27 2HD2 ASN 4 1HD2 ASN 4 4.611 -3.485 -3.485 28 H GLY 5 H GLY 5 4.679 0.635 0.635 29 1HA GLY 5 1HA GLY 5 7.105 1.013 1.013 30 2HA GLY 5 2HA GLY 5 5.786 0.543 0.543 31 H LYS 6 H LYS 6 4.596 2.191 2.191 32 HA LYS 6 HA LYS 6 3.968 4.458 4.458 33 1HB LYS 6 2HB LYS 6 5.550 4.776 4.776 34 2HB LYS 6 1HB LYS 6 4.782 6.087 6.087 35 1HG LYS 6 2HG LYS 6 6.146 5.535 5.535 36 2HG LYS 6 1HG LYS 6 6.914 4.225 4.225 37 1HD LYS 6 2HD LYS 6 7.515 6.105 6.105 38 2HD LYS 6 1HD LYS 6 7.187 7.211 7.211 39 1HE LYS 6 2HE LYS 6 8.992 4.852 4.852 40 2HE LYS 6 1HE LYS 6 9.639 6.183 6.183 41 1HZ LYS 6 1HZ LYS 6 9.380 6.101 6.101 42 2HZ LYS 6 2HZ LYS 6 9.799 7.404 7.404 43 H CYS 7 H CYS 7 2.341 5.915 5.915 44 HA CYS 7 HA CYS 7 0.886 4.408 4.408 45 1HB CYS 7 2HB CYS 7 -1.246 5.062 5.062 46 2HB CYS 7 1HB CYS 7 -0.301 3.844 3.844 47 H TYR 8 H TYR 8 -0.622 5.878 5.878 48 HA TYR 8 HA TYR 8 0.272 8.677 8.677 49 1HB TYR 8 2HB TYR 8 -0.433 6.880 6.880 50 2HB TYR 8 1HB TYR 8 0.043 8.561 8.561 51 HD1 TYR 8 HD2 TYR 8 1.326 5.332 5.332 52 HD2 TYR 8 HD1 TYR 8 2.265 9.045 9.045 53 HE1 TYR 8 HE2 TYR 8 3.764 4.634 4.634 54 HE2 TYR 8 HE1 TYR 8 4.700 8.334 8.334 55 HH TYR 8 HH TYR 8 6.211 6.783 6.783 56 H LYS 9 H LYS 9 -1.332 10.195 10.195 57 HA LYS 9 HA LYS 9 -4.008 9.290 9.290 58 1HB LYS 9 2HB LYS 9 -4.499 11.705 11.705 59 2HB LYS 9 1HB LYS 9 -3.234 11.115 11.115 60 1HG LYS 9 2HG LYS 9 -2.089 12.951 12.951 61 2HG LYS 9 1HG LYS 9 -1.697 11.900 11.900 62 1HD LYS 9 2HD LYS 9 -2.527 13.810 13.810 63 2HD LYS 9 1HD LYS 9 -3.936 12.770 12.770 64 1HE LYS 9 2HE LYS 9 -5.038 14.066 14.066 65 2HE LYS 9 1HE LYS 9 -3.553 14.566 14.566 66 1HZ LYS 9 1HZ LYS 9 -3.160 16.171 16.171 67 2HZ LYS 9 2HZ LYS 9 -4.233 15.527 15.527 68 H LYS 10 H LYS 10 -2.231 11.267 11.267 69 HA LYS 10 HA LYS 10 -4.339 11.725 11.725 70 1HB LYS 10 2HB LYS 10 -1.765 12.426 12.426 71 2HB LYS 10 1HB LYS 10 -1.650 11.130 11.130 72 1HG LYS 10 2HG LYS 10 -3.077 12.199 12.199 73 2HG LYS 10 1HG LYS 10 -3.880 13.146 13.146 74 1HD LYS 10 2HD LYS 10 -2.541 14.815 14.815 75 2HD LYS 10 1HD LYS 10 -1.415 14.186 14.186 76 1HE LYS 10 2HE LYS 10 -0.384 12.719 12.719 77 2HE LYS 10 1HE LYS 10 -1.525 13.311 13.311 78 1HZ LYS 10 1HZ LYS 10 0.358 14.654 14.654 79 2HZ LYS 10 2HZ LYS 10 -0.592 15.614 15.614 80 H ASP 11 H ASP 11 -2.017 8.932 8.932 81 HA ASP 11 HA ASP 11 -3.576 7.656 7.656 82 1HB ASP 11 2HB ASP 11 -1.099 7.027 7.027 83 2HB ASP 11 1HB ASP 11 -1.943 5.678 5.678 84 HD1 ASP 11 2HD ASP 11 -0.551 8.835 8.835 85 H ASN 12 H ASN 12 -3.752 8.056 8.056 86 HA ASN 12 HA ASN 12 -4.663 6.962 6.962 87 1HB ASN 12 2HB ASN 12 -6.744 7.698 7.698 88 2HB ASN 12 1HB ASN 12 -6.633 6.619 6.619 89 1HD2 ASN 12 2HD2 ASN 12 -7.858 5.229 5.229 90 2HD2 ASN 12 1HD2 ASN 12 -6.869 6.641 6.641 91 H ILE 13 H ILE 13 -2.748 5.320 5.320 92 HA ILE 13 HA ILE 13 -3.884 2.672 2.672 93 HB ILE 13 HB ILE 13 -1.947 1.935 1.935 94 1HG1 ILE 13 2HG1 ILE 13 -1.625 3.784 3.784 95 2HG1 ILE 13 3HG1 ILE 13 -2.035 4.897 4.897 96 1HG2 ILE 13 2HG2 ILE 13 -4.631 2.409 2.409 97 2HG2 ILE 13 3HG2 ILE 13 -3.869 3.291 3.291 98 3HG2 ILE 13 1HG2 ILE 13 -3.540 1.557 1.557 99 1HD1 ILE 13 2HD1 ILE 13 0.178 2.797 2.797 100 2HD1 ILE 13 3HD1 ILE 13 0.425 4.532 4.532 101 3HD1 ILE 13 1HD1 ILE 13 -0.214 3.993 3.993 102 H CYS 14 H CYS 14 -2.027 1.036 1.036 103 HA CYS 14 HA CYS 14 -0.269 2.427 2.427 104 1HB CYS 14 2HB CYS 14 -1.688 1.437 1.437 105 2HB CYS 14 1HB CYS 14 -2.104 0.124 0.124 106 H LYS 15 H LYS 15 1.843 2.166 2.166 107 HA LYS 15 HA LYS 15 2.458 -0.161 -0.161 108 1HB LYS 15 2HB LYS 15 3.478 2.630 2.630 109 2HB LYS 15 1HB LYS 15 4.656 1.388 1.388 110 1HG LYS 15 2HG LYS 15 2.495 0.678 0.678 111 2HG LYS 15 1HG LYS 15 2.438 2.430 2.430 112 1HD LYS 15 2HD LYS 15 4.852 0.687 0.687 113 2HD LYS 15 1HD LYS 15 3.880 1.603 1.603 114 1HE LYS 15 2HE LYS 15 4.638 3.719 3.719 115 2HE LYS 15 1HE LYS 15 5.336 2.950 2.950 116 1HZ LYS 15 1HZ LYS 15 6.939 3.546 3.546 117 2HZ LYS 15 2HZ LYS 15 7.053 2.010 2.010 118 H TYR 16 H TYR 16 4.477 -1.351 -1.351 119 HA TYR 16 HA TYR 16 5.911 -0.965 -0.965 120 1HB TYR 16 2HB TYR 16 4.961 -2.946 -2.946 121 2HB TYR 16 1HB TYR 16 3.681 -1.792 -1.792 122 HD1 TYR 16 HD2 TYR 16 5.109 -5.051 -5.051 123 HD2 TYR 16 HD1 TYR 16 1.857 -2.315 -2.315 124 HE1 TYR 16 HE2 TYR 16 3.758 -6.858 -6.858 125 HE2 TYR 16 HE1 TYR 16 0.517 -4.132 -4.132 126 HH TYR 16 HH TYR 16 0.432 -6.217 -6.217 127 H LYS 17 H LYS 17 7.397 -2.901 -2.901 128 HA LYS 17 HA LYS 17 8.401 -3.778 -3.778 129 1HB LYS 17 2HB LYS 17 9.381 -3.428 -3.428 130 2HB LYS 17 1HB LYS 17 9.736 -5.064 -5.064 131 1HG LYS 17 2HG LYS 17 10.386 -3.672 -3.672 132 2HG LYS 17 1HG LYS 17 10.764 -2.470 -2.470 133 1HD LYS 17 2HD LYS 17 12.228 -4.087 -4.087 134 2HD LYS 17 1HD LYS 17 11.800 -5.344 -5.344 135 1HE LYS 17 2HE LYS 17 12.651 -3.507 -3.507 136 2HE LYS 17 1HE LYS 17 13.557 -2.927 -2.927 137 1HZ LYS 17 1HZ LYS 17 14.974 -4.632 -4.632 138 2HZ LYS 17 2HZ LYS 17 13.788 -5.741 -5.741 139 H ALA 18 H ALA 18 7.906 -5.619 -5.619 140 HA ALA 18 HA ALA 18 5.909 -7.324 -7.324 141 1HB ALA 18 1HB ALA 18 7.418 -6.881 -6.881 142 2HB ALA 18 2HB ALA 18 7.677 -8.589 -8.589 143 3HB ALA 18 3HB ALA 18 6.024 -7.969 -7.969 144 H GLN 19 H GLN 19 5.994 -9.545 -9.545 145 HA GLN 19 HA GLN 19 7.598 -10.017 -10.017 146 1HB GLN 19 2HB GLN 19 5.684 -11.415 -11.415 147 2HB GLN 19 1HB GLN 19 6.287 -11.956 -11.956 148 1HG GLN 19 2HG GLN 19 8.087 -13.227 -13.227 149 2HG GLN 19 1HG GLN 19 7.742 -12.526 -12.526 150 1HE2 GLN 19 2HE2 GLN 19 5.645 -15.106 -15.106 151 2HE2 GLN 19 1HE2 GLN 19 6.863 -13.935 -13.935 152 H SER 20 H SER 20 8.304 -10.643 -10.643 153 HA SER 20 HA SER 20 10.617 -12.146 -12.146 154 1HB SER 20 2HB SER 20 9.106 -11.243 -11.243 155 2HB SER 20 1HB SER 20 10.784 -10.816 -10.816 156 HG SER 20 HG SER 20 11.000 -13.249 -13.249 157 H GLY 21 H GLY 21 10.018 -8.691 -8.691 158 1HA GLY 21 1HA GLY 21 11.736 -7.388 -7.388 159 2HA GLY 21 2HA GLY 21 12.831 -8.043 -8.043 160 H LYS 22 H LYS 22 10.454 -7.955 -7.955 161 HA LYS 22 HA LYS 22 11.176 -5.533 -5.533 162 1HB LYS 22 2HB LYS 22 10.252 -7.640 -7.640 163 2HB LYS 22 1HB LYS 22 8.663 -7.124 -7.124 164 1HG LYS 22 2HG LYS 22 9.257 -4.837 -4.837 165 2HG LYS 22 1HG LYS 22 10.537 -5.732 -5.732 166 1HD LYS 22 2HD LYS 22 7.838 -7.023 -7.023 167 2HD LYS 22 1HD LYS 22 7.980 -5.536 -5.536 168 1HE LYS 22 2HE LYS 22 8.994 -6.690 -6.690 169 2HE LYS 22 1HE LYS 22 10.339 -7.022 -7.022 170 1HZ LYS 22 1HZ LYS 22 9.695 -9.161 -9.161 171 2HZ LYS 22 2HZ LYS 22 8.398 -8.805 -8.805 172 H THR 23 H THR 23 7.882 -5.403 -5.403 173 HA THR 23 HA THR 23 7.222 -3.982 -3.982 174 HB THR 23 HB THR 23 7.806 -2.528 -2.528 175 HG1 THR 23 1HG THR 23 9.570 -2.528 -2.528 176 1HG2 THR 23 1HG2 THR 23 5.936 -1.851 -1.851 177 2HG2 THR 23 2HG2 THR 23 7.070 -0.569 -0.569 178 3HG2 THR 23 3HG2 THR 23 5.942 -1.261 -1.261 179 H ALA 24 H ALA 24 5.035 -3.885 -3.885 180 HA ALA 24 HA ALA 24 3.353 -4.624 -4.624 181 1HB ALA 24 3HB ALA 24 3.695 -6.040 -6.040 182 2HB ALA 24 1HB ALA 24 2.087 -6.011 -6.011 183 3HB ALA 24 2HB ALA 24 3.472 -6.716 -6.716 184 H ILE 25 H ILE 25 1.572 -3.333 -3.333 185 HA ILE 25 HA ILE 25 1.187 -1.388 -1.388 186 HB ILE 25 HB ILE 25 -0.170 -1.442 -1.442 187 1HG1 ILE 25 2HG1 ILE 25 2.647 -0.627 -0.627 188 2HG1 ILE 25 3HG1 ILE 25 2.064 -1.582 -1.582 189 1HG2 ILE 25 3HG2 ILE 25 0.514 0.788 0.788 190 2HG2 ILE 25 1HG2 ILE 25 -0.258 0.994 0.994 191 3HG2 ILE 25 2HG2 ILE 25 -1.099 0.098 0.098 192 1HD1 ILE 25 1HD1 ILE 25 0.870 0.469 0.469 193 2HD1 ILE 25 2HD1 ILE 25 1.631 1.409 1.409 194 3HD1 ILE 25 3HD1 ILE 25 2.641 0.640 0.640 195 H CYS 26 H CYS 26 -0.846 -1.042 -1.042 196 HA CYS 26 HA CYS 26 -2.738 -3.240 -3.240 197 1HB CYS 26 2HB CYS 26 -1.387 -3.617 -3.617 198 2HB CYS 26 1HB CYS 26 -1.907 -2.067 -2.067 199 H LYS 27 H LYS 27 -4.371 -2.128 -2.128 200 HA LYS 27 HA LYS 27 -4.932 0.488 0.488 201 1HB LYS 27 2HB LYS 27 -7.106 -1.614 -1.614 202 2HB LYS 27 1HB LYS 27 -7.129 -0.074 -0.074 203 1HG LYS 27 2HG LYS 27 -5.524 -2.560 -2.560 204 2HG LYS 27 1HG LYS 27 -6.643 -1.677 -1.677 205 1HD LYS 27 2HD LYS 27 -4.006 -0.512 -0.512 206 2HD LYS 27 1HD LYS 27 -4.182 -1.305 -1.305 207 1HE LYS 27 2HE LYS 27 -6.133 0.393 0.393 208 2HE LYS 27 1HE LYS 27 -5.481 1.281 1.281 209 1HZ LYS 27 1HZ LYS 27 -4.321 0.906 0.906 210 2HZ LYS 27 2HZ LYS 27 -4.204 2.186 2.186 211 H CYS 28 H CYS 28 -6.111 2.005 2.005 212 HA CYS 28 HA CYS 28 -6.375 1.237 1.237 213 1HB CYS 28 2HB CYS 28 -6.141 3.870 3.870 214 2HB CYS 28 1HB CYS 28 -6.754 3.796 3.796 215 H TYR 29 H TYR 29 -8.380 0.306 0.306 216 HA TYR 29 HA TYR 29 -10.691 1.569 1.569 217 1HB TYR 29 2HB TYR 29 -11.589 -0.637 -0.637 218 2HB TYR 29 1HB TYR 29 -9.881 -1.013 -1.013 219 HD1 TYR 29 HD1 TYR 29 -8.618 -1.425 -1.425 220 HD2 TYR 29 HD2 TYR 29 -12.882 -1.464 -1.464 221 HE1 TYR 29 HE1 TYR 29 -8.790 -2.763 -2.763 222 HE2 TYR 29 HE2 TYR 29 -13.040 -2.802 -2.802 223 HH TYR 29 HH TYR 29 -11.816 -3.262 -3.262 224 H VAL 30 H VAL 30 -9.390 2.799 2.799 225 HA VAL 30 HA VAL 30 -11.576 3.374 3.374 226 HB VAL 30 HB VAL 30 -10.472 2.112 2.112 227 1HG1 VAL 30 2HG1 VAL 30 -12.846 1.901 1.901 228 2HG1 VAL 30 3HG1 VAL 30 -12.353 0.272 0.272 229 3HG1 VAL 30 1HG1 VAL 30 -12.625 1.549 1.549 230 1HG2 VAL 30 1HG2 VAL 30 -9.059 0.895 0.895 231 2HG2 VAL 30 2HG2 VAL 30 -9.548 0.076 0.076 232 3HG2 VAL 30 3HG2 VAL 30 -10.491 -0.162 -0.162 233 H LYS 31 H LYS 31 -11.083 5.042 5.042 234 HA LYS 31 HA LYS 31 -9.889 6.908 6.908 235 1HB LYS 31 2HB LYS 31 -9.278 4.814 4.814 236 2HB LYS 31 1HB LYS 31 -7.690 5.397 5.397 237 1HG LYS 31 2HG LYS 31 -9.739 7.484 7.484 238 2HG LYS 31 1HG LYS 31 -9.148 6.501 6.501 239 1HD LYS 31 2HD LYS 31 -6.829 7.128 7.128 240 2HD LYS 31 1HD LYS 31 -7.299 7.937 7.937 241 1HE LYS 31 2HE LYS 31 -8.386 9.718 9.718 242 2HE LYS 31 1HE LYS 31 -8.488 8.803 8.803 243 1HZ LYS 31 1HZ LYS 31 -5.798 9.289 9.289 244 2HZ LYS 31 2HZ LYS 31 -6.579 10.587 10.587 245 H LYS 32 H LYS 32 -9.512 7.186 7.186 246 HA LYS 32 HA LYS 32 -7.443 6.361 6.361 247 1HB LYS 32 2HB LYS 32 -8.215 9.284 9.284 248 2HB LYS 32 1HB LYS 32 -7.625 8.371 8.371 249 1HG LYS 32 2HG LYS 32 -9.793 7.977 7.977 250 2HG LYS 32 1HG LYS 32 -9.869 6.900 6.900 251 1HD LYS 32 2HD LYS 32 -11.675 8.654 8.654 252 2HD LYS 32 1HD LYS 32 -10.671 8.688 8.688 253 1HE LYS 32 2HE LYS 32 -9.650 10.705 10.705 254 2HE LYS 32 1HE LYS 32 -9.790 10.412 10.412 255 1HZ LYS 32 1HZ LYS 32 -11.709 11.642 11.642 256 2HZ LYS 32 2HZ LYS 32 -11.507 11.865 11.865 257 H CYS 33 H CYS 33 -5.239 6.963 6.963 258 HA CYS 33 HA CYS 33 -3.664 7.121 7.121 259 1HB CYS 33 2HB CYS 33 -2.562 6.511 6.511 260 2HB CYS 33 1HB CYS 33 -3.260 7.801 7.801 261 HA PRO 34 HA PRO 34 -4.015 11.267 11.267 262 1HB PRO 34 2HB PRO 34 -1.813 11.469 11.469 263 2HB PRO 34 1HB PRO 34 -3.315 10.732 10.732 264 1HG PRO 34 2HG PRO 34 -0.774 9.425 9.425 265 2HG PRO 34 1HG PRO 34 -2.119 8.766 8.766 266 1HD PRO 34 2HD PRO 34 -1.483 8.237 8.237 267 2HD PRO 34 1HD PRO 34 -2.890 7.671 7.671 268 H ARG 35 H ARG 35 -0.859 10.298 10.298 269 HA ARG 35 HA ARG 35 -0.869 12.357 12.357 270 1HB ARG 35 2HB ARG 35 1.098 13.681 13.681 271 2HB ARG 35 1HB ARG 35 -0.410 13.906 13.906 272 1HG ARG 35 2HG ARG 35 0.463 11.891 11.891 273 2HG ARG 35 1HG ARG 35 2.030 12.321 12.321 274 1HD ARG 35 2HD ARG 35 2.191 14.104 14.104 275 2HD ARG 35 1HD ARG 35 0.666 14.750 14.750 276 HE ARG 35 HE ARG 35 1.074 13.051 13.051 277 1HH1 ARG 35 2HH2 ARG 35 -1.267 14.494 14.494 278 2HH1 ARG 35 1HH2 ARG 35 -2.598 14.335 14.335 279 HH2 ARG 35 1HH ARG 35 -2.231 13.361 13.361 280 H ASP 36 H ASP 36 0.786 11.979 11.979 281 HA ASP 36 HA ASP 36 1.796 9.577 9.577 282 1HB ASP 36 2HB ASP 36 2.268 10.923 10.923 283 2HB ASP 36 1HB ASP 36 2.672 12.306 12.306 284 HD2 ASP 36 2HD ASP 36 5.092 11.122 11.122 285 H GLY 37 H GLY 37 3.519 8.311 8.311 286 1HA GLY 37 1HA GLY 37 5.604 7.991 7.991 287 2HA GLY 37 2HA GLY 37 5.570 9.619 9.619 288 H ALA 38 H ALA 38 2.626 9.172 9.172 289 HA ALA 38 HA ALA 38 3.008 8.679 8.679 290 1HB ALA 38 2HB ALA 38 0.655 8.276 8.276 291 2HB ALA 38 3HB ALA 38 0.518 7.925 7.925 292 3HB ALA 38 1HB ALA 38 0.934 9.568 9.568 293 H LYS 39 H LYS 39 3.751 6.966 6.966 294 HA LYS 39 HA LYS 39 4.260 4.503 4.503 295 1HB LYS 39 2HB LYS 39 5.515 5.429 5.429 296 2HB LYS 39 1HB LYS 39 4.114 5.215 5.215 297 1HG LYS 39 2HG LYS 39 4.898 2.777 2.777 298 2HG LYS 39 1HG LYS 39 6.099 3.324 3.324 299 1HD LYS 39 2HD LYS 39 3.663 3.544 3.544 300 2HD LYS 39 1HD LYS 39 3.486 2.061 2.061 301 1HE LYS 39 2HE LYS 39 5.281 1.005 1.005 302 2HE LYS 39 1HE LYS 39 6.103 2.513 2.513 303 1HZ LYS 39 1HZ LYS 39 3.595 2.464 2.464 304 2HZ LYS 39 2HZ LYS 39 4.424 1.117 1.117 305 H CYS 40 H CYS 40 3.274 2.423 2.423 306 HA CYS 40 HA CYS 40 0.807 2.236 2.236 307 1HB CYS 40 2HB CYS 40 -0.222 3.300 3.300 308 2HB CYS 40 1HB CYS 40 0.783 2.490 2.490 309 H GLU 41 H GLU 41 -0.059 -0.082 -0.082 310 HA GLU 41 HA GLU 41 2.106 -1.836 -1.836 311 1HB GLU 41 2HB GLU 41 0.294 -2.472 -2.472 312 2HB GLU 41 1HB GLU 41 1.810 -3.235 -3.235 313 1HG GLU 41 2HG GLU 41 2.359 -1.790 -1.790 314 2HG GLU 41 1HG GLU 41 2.935 -0.948 -0.948 315 HE1 GLU 41 2HE GLU 41 0.163 -0.371 -0.371 316 H PHE 42 H PHE 42 1.477 -3.816 -3.816 317 HA PHE 42 HA PHE 42 -1.345 -3.828 -3.828 318 1HB PHE 42 2HB PHE 42 0.321 -3.587 -3.587 319 2HB PHE 42 1HB PHE 42 1.275 -4.910 -4.910 320 HD1 PHE 42 2HD PHE 42 -2.385 -4.627 -4.627 321 HD2 PHE 42 1HD PHE 42 1.264 -6.609 -6.609 322 HE1 PHE 42 2HE PHE 42 -3.613 -6.232 -6.232 323 HE2 PHE 42 1HE PHE 42 0.035 -8.215 -8.215 324 HZ PHE 42 HZ PHE 42 -2.389 -8.007 -8.007 325 H ASP 43 H ASP 43 -2.405 -5.121 -5.121 326 HA ASP 43 HA ASP 43 -1.233 -7.275 -7.275 327 1HB ASP 43 2HB ASP 43 -3.509 -5.941 -5.941 328 2HB ASP 43 1HB ASP 43 -4.197 -7.201 -7.201 329 HD1 ASP 43 2HD ASP 43 -3.025 -7.764 -7.764 330 H SER 44 H SER 44 -0.718 -9.308 -9.308 331 HA SER 44 HA SER 44 -1.714 -9.953 -9.953 332 1HB SER 44 2HB SER 44 0.084 -11.420 -11.420 333 2HB SER 44 1HB SER 44 0.731 -10.250 -10.250 334 HG SER 44 HG SER 44 0.312 -12.920 -12.920 335 H TYR 45 H TYR 45 -3.132 -10.110 -10.110 336 HA TYR 45 HA TYR 45 -3.966 -12.907 -12.907 337 1HB TYR 45 2HB TYR 45 -4.982 -10.883 -10.883 338 2HB TYR 45 1HB TYR 45 -4.501 -12.544 -12.544 339 HD1 TYR 45 HD1 TYR 45 -1.726 -12.308 -12.308 340 HD2 TYR 45 HD2 TYR 45 -3.768 -9.886 -9.886 341 HE1 TYR 45 HE1 TYR 45 0.505 -11.502 -11.502 342 HE2 TYR 45 HE2 TYR 45 -1.530 -9.088 -9.088 343 HH TYR 45 HH TYR 45 1.173 -10.546 -10.546 344 H LYS 46 H LYS 46 -4.937 -9.711 -9.711 345 HA LYS 46 HA LYS 46 -7.548 -10.787 -10.787 346 1HB LYS 46 2HB LYS 46 -8.198 -8.218 -8.218 347 2HB LYS 46 1HB LYS 46 -8.541 -9.664 -9.664 348 1HG LYS 46 2HG LYS 46 -6.281 -9.402 -9.402 349 2HG LYS 46 1HG LYS 46 -6.076 -7.882 -7.882 350 1HD LYS 46 2HD LYS 46 -7.071 -6.987 -6.987 351 2HD LYS 46 1HD LYS 46 -8.559 -7.469 -7.469 352 1HE LYS 46 2HE LYS 46 -8.391 -9.710 -9.710 353 2HE LYS 46 1HE LYS 46 -7.015 -9.076 -9.076 354 1HZ LYS 46 1HZ LYS 46 -8.739 -8.508 -8.508 355 2HZ LYS 46 2HZ LYS 46 -8.706 -7.142 -7.142 356 H GLY 47 H GLY 47 -5.174 -8.064 -8.064 357 1HA GLY 47 1HA GLY 47 -4.233 -7.399 -7.399 358 2HA GLY 47 2HA GLY 47 -5.622 -8.030 -8.030 359 H LYS 48 H LYS 48 -6.220 -6.219 -6.219 360 HA LYS 48 HA LYS 48 -7.828 -4.353 -4.353 361 1HB LYS 48 2HB LYS 48 -6.716 -4.534 -4.534 362 2HB LYS 48 1HB LYS 48 -7.712 -3.187 -3.187 363 1HG LYS 48 2HG LYS 48 -9.395 -5.005 -5.005 364 2HG LYS 48 1HG LYS 48 -8.467 -6.131 -6.131 365 1HD LYS 48 2HD LYS 48 -9.701 -3.558 -3.558 366 2HD LYS 48 1HD LYS 48 -10.464 -5.131 -5.131 367 1HE LYS 48 2HE LYS 48 -9.136 -5.775 -5.775 368 2HE LYS 48 1HE LYS 48 -7.678 -5.215 -5.215 369 1HZ LYS 48 1HZ LYS 48 -8.834 -2.884 -2.884 370 2HZ LYS 48 2HZ LYS 48 -9.368 -3.799 -3.799 371 H CYS 49 H CYS 49 -5.757 -2.689 -2.689 372 HA CYS 49 HA CYS 49 -3.595 -1.949 -1.949 373 1HB CYS 49 2HB CYS 49 -4.565 -1.250 -1.250 374 2HB CYS 49 1HB CYS 49 -6.011 -0.646 -0.646 375 H TYR 50 H TYR 50 -3.261 -1.893 -1.893 376 HA TYR 50 HA TYR 50 -4.641 -0.088 -0.088 377 1HB TYR 50 2HB TYR 50 -1.969 -1.586 -1.586 378 2HB TYR 50 1HB TYR 50 -2.325 -0.508 -0.508 379 HD1 TYR 50 HD2 TYR 50 -5.085 -2.345 -2.345 380 HD2 TYR 50 HD1 TYR 50 -2.169 -2.402 -2.402 381 HE1 TYR 50 HE2 TYR 50 -6.364 -4.207 -4.207 382 HE2 TYR 50 HE1 TYR 50 -3.458 -4.264 -4.264 383 HH TYR 50 HH TYR 50 -5.505 -5.244 -5.244 384 H CYS 51 H CYS 51 -4.565 1.795 1.795 385 HA CYS 51 HA CYS 51 -2.103 3.093 3.093 386 1HB CYS 51 2HB CYS 51 -3.633 5.054 5.054 387 2HB CYS 51 1HB CYS 51 -3.709 3.605 3.605 Start of MODEL 29 1 H ALA 1 H ALA 1 3.791 -11.792 -11.792 2 HA ALA 1 HA ALA 1 4.954 -10.756 -10.756 3 1HB ALA 1 2HB ALA 1 2.912 -12.765 -12.765 4 2HB ALA 1 3HB ALA 1 3.010 -11.769 -11.769 5 3HB ALA 1 1HB ALA 1 4.464 -12.589 -12.589 6 H THR 2 H THR 2 3.747 -8.530 -8.530 7 HA THR 2 HA THR 2 2.040 -7.390 -7.390 8 HB THR 2 HB THR 2 3.009 -5.883 -5.883 9 HG1 THR 2 1HG THR 2 1.025 -8.044 -8.044 10 1HG2 THR 2 3HG2 THR 2 0.959 -5.504 -5.504 11 2HG2 THR 2 1HG2 THR 2 0.115 -6.304 -6.304 12 3HG2 THR 2 2HG2 THR 2 1.000 -4.786 -4.786 13 H TYR 3 H TYR 3 2.709 -6.116 -6.116 14 HA TYR 3 HA TYR 3 5.542 -5.412 -5.412 15 1HB TYR 3 2HB TYR 3 3.382 -5.043 -5.043 16 2HB TYR 3 1HB TYR 3 5.108 -5.194 -5.194 17 HD1 TYR 3 HD1 TYR 3 5.079 -7.599 -7.599 18 HD2 TYR 3 HD2 TYR 3 3.114 -6.804 -6.804 19 HE1 TYR 3 HE1 TYR 3 4.798 -10.095 -10.095 20 HE2 TYR 3 HE2 TYR 3 2.840 -9.303 -9.303 21 HH TYR 3 HH TYR 3 2.845 -11.455 -11.455 22 H ASN 4 H ASN 4 6.133 -3.425 -3.425 23 HA ASN 4 HA ASN 4 4.113 -1.386 -1.386 24 1HB ASN 4 2HB ASN 4 6.976 -0.817 -0.817 25 2HB ASN 4 1HB ASN 4 5.504 -0.316 -0.316 26 1HD2 ASN 4 2HD2 ASN 4 5.034 -3.300 -3.300 27 2HD2 ASN 4 1HD2 ASN 4 4.221 -2.000 -2.000 28 H GLY 5 H GLY 5 4.776 0.903 0.903 29 1HA GLY 5 1HA GLY 5 6.906 1.346 1.346 30 2HA GLY 5 2HA GLY 5 5.542 0.813 0.813 31 H LYS 6 H LYS 6 4.906 2.720 2.720 32 HA LYS 6 HA LYS 6 3.876 4.768 4.768 33 1HB LYS 6 2HB LYS 6 5.689 5.313 5.313 34 2HB LYS 6 1HB LYS 6 4.808 6.536 6.536 35 1HG LYS 6 2HG LYS 6 6.002 5.932 5.932 36 2HG LYS 6 1HG LYS 6 6.818 4.614 4.614 37 1HD LYS 6 2HD LYS 6 7.832 6.317 6.317 38 2HD LYS 6 1HD LYS 6 7.117 7.589 7.589 39 1HE LYS 6 2HE LYS 6 8.841 5.493 5.493 40 2HE LYS 6 1HE LYS 6 9.611 6.796 6.796 41 1HZ LYS 6 1HZ LYS 6 9.053 7.158 7.158 42 2HZ LYS 6 2HZ LYS 6 8.723 8.381 8.381 43 H CYS 7 H CYS 7 2.173 6.098 6.098 44 HA CYS 7 HA CYS 7 1.032 4.789 4.789 45 1HB CYS 7 2HB CYS 7 -1.220 5.493 5.493 46 2HB CYS 7 1HB CYS 7 -0.436 3.984 3.984 47 H TYR 8 H TYR 8 -0.456 6.306 6.306 48 HA TYR 8 HA TYR 8 0.331 9.107 9.107 49 1HB TYR 8 2HB TYR 8 -0.168 7.439 7.439 50 2HB TYR 8 1HB TYR 8 0.116 9.168 9.168 51 HD1 TYR 8 HD2 TYR 8 1.739 6.087 6.087 52 HD2 TYR 8 HD1 TYR 8 2.264 9.869 9.869 53 HE1 TYR 8 HE2 TYR 8 4.245 5.679 5.679 54 HE2 TYR 8 HE1 TYR 8 4.768 9.448 9.448 55 HH TYR 8 HH TYR 8 6.427 8.198 8.198 56 H LYS 9 H LYS 9 -1.284 10.659 10.659 57 HA LYS 9 HA LYS 9 -3.971 9.627 9.627 58 1HB LYS 9 2HB LYS 9 -4.575 11.735 11.735 59 2HB LYS 9 1HB LYS 9 -3.025 11.353 11.353 60 1HG LYS 9 2HG LYS 9 -1.856 12.799 12.799 61 2HG LYS 9 1HG LYS 9 -3.343 13.083 13.083 62 1HD LYS 9 2HD LYS 9 -3.513 13.717 13.717 63 2HD LYS 9 1HD LYS 9 -2.368 14.708 14.708 64 1HE LYS 9 2HE LYS 9 -4.463 14.788 14.788 65 2HE LYS 9 1HE LYS 9 -5.352 14.563 14.563 66 1HZ LYS 9 1HZ LYS 9 -5.050 16.753 16.753 67 2HZ LYS 9 2HZ LYS 9 -3.462 16.489 16.489 68 H LYS 10 H LYS 10 -1.977 11.819 11.819 69 HA LYS 10 HA LYS 10 -4.025 12.502 12.502 70 1HB LYS 10 2HB LYS 10 -1.231 12.968 12.968 71 2HB LYS 10 1HB LYS 10 -1.491 12.408 12.408 72 1HG LYS 10 2HG LYS 10 -3.564 14.119 14.119 73 2HG LYS 10 1HG LYS 10 -2.595 14.861 14.861 74 1HD LYS 10 2HD LYS 10 -1.436 15.915 15.915 75 2HD LYS 10 1HD LYS 10 -0.732 14.361 14.361 76 1HE LYS 10 2HE LYS 10 -3.313 14.348 14.348 77 2HE LYS 10 1HE LYS 10 -2.669 15.948 15.948 78 1HZ LYS 10 1HZ LYS 10 -0.949 13.602 13.602 79 2HZ LYS 10 2HZ LYS 10 -2.051 14.013 14.013 80 H ASP 11 H ASP 11 -2.273 9.519 9.519 81 HA ASP 11 HA ASP 11 -3.350 8.566 8.566 82 1HB ASP 11 2HB ASP 11 -0.846 7.959 7.959 83 2HB ASP 11 1HB ASP 11 -1.595 6.608 6.608 84 HD2 ASP 11 2HD ASP 11 0.472 7.587 7.587 85 H ASN 12 H ASN 12 -3.690 8.601 8.601 86 HA ASN 12 HA ASN 12 -4.530 7.252 7.252 87 1HB ASN 12 2HB ASN 12 -6.618 7.986 7.986 88 2HB ASN 12 1HB ASN 12 -6.430 6.976 6.976 89 1HD2 ASN 12 2HD2 ASN 12 -7.531 5.292 5.292 90 2HD2 ASN 12 1HD2 ASN 12 -6.553 6.719 6.719 91 H ILE 13 H ILE 13 -2.460 5.803 5.803 92 HA ILE 13 HA ILE 13 -3.454 3.107 3.107 93 HB ILE 13 HB ILE 13 -1.271 2.714 2.714 94 1HG1 ILE 13 2HG1 ILE 13 -0.634 4.799 4.799 95 2HG1 ILE 13 3HG1 ILE 13 -1.439 5.730 5.730 96 1HG2 ILE 13 1HG2 ILE 13 -3.875 3.711 3.711 97 2HG2 ILE 13 2HG2 ILE 13 -2.591 4.061 4.061 98 3HG2 ILE 13 3HG2 ILE 13 -2.882 2.386 2.386 99 1HD1 ILE 13 2HD1 ILE 13 0.738 3.682 3.682 100 2HD1 ILE 13 3HD1 ILE 13 1.061 5.414 5.414 101 3HD1 ILE 13 1HD1 ILE 13 0.051 4.888 4.888 102 H CYS 14 H CYS 14 -1.290 1.591 1.591 103 HA CYS 14 HA CYS 14 -0.067 2.677 2.677 104 1HB CYS 14 2HB CYS 14 -2.028 0.606 0.606 105 2HB CYS 14 1HB CYS 14 -0.497 -0.122 -0.122 106 H LYS 15 H LYS 15 2.047 2.849 2.849 107 HA LYS 15 HA LYS 15 3.077 0.702 0.702 108 1HB LYS 15 2HB LYS 15 3.813 3.554 3.554 109 2HB LYS 15 1HB LYS 15 5.092 2.449 2.449 110 1HG LYS 15 2HG LYS 15 4.381 2.393 2.393 111 2HG LYS 15 1HG LYS 15 2.744 1.998 1.998 112 1HD LYS 15 2HD LYS 15 2.257 4.074 4.074 113 2HD LYS 15 1HD LYS 15 2.794 4.633 4.633 114 1HE LYS 15 2HE LYS 15 4.479 4.462 4.462 115 2HE LYS 15 1HE LYS 15 3.937 5.926 5.926 116 1HZ LYS 15 1HZ LYS 15 6.163 4.238 4.238 117 2HZ LYS 15 2HZ LYS 15 5.900 5.794 5.794 118 H TYR 16 H TYR 16 4.778 -0.650 -0.650 119 HA TYR 16 HA TYR 16 6.198 -0.207 -0.207 120 1HB TYR 16 2HB TYR 16 5.223 -2.495 -2.495 121 2HB TYR 16 1HB TYR 16 4.198 -1.083 -1.083 122 HD1 TYR 16 HD2 TYR 16 4.601 -2.354 -2.354 123 HD2 TYR 16 HD1 TYR 16 2.289 -2.708 -2.708 124 HE1 TYR 16 HE2 TYR 16 2.760 -3.536 -3.536 125 HE2 TYR 16 HE1 TYR 16 0.456 -3.888 -3.888 126 HH TYR 16 HH TYR 16 0.767 -5.362 -5.362 127 H LYS 17 H LYS 17 7.093 -2.776 -2.776 128 HA LYS 17 HA LYS 17 8.132 -3.651 -3.651 129 1HB LYS 17 2HB LYS 17 9.554 -2.593 -2.593 130 2HB LYS 17 1HB LYS 17 10.036 -4.255 -4.255 131 1HG LYS 17 2HG LYS 17 10.206 -3.562 -3.562 132 2HG LYS 17 1HG LYS 17 10.189 -1.915 -1.915 133 1HD LYS 17 2HD LYS 17 12.321 -2.058 -2.058 134 2HD LYS 17 1HD LYS 17 12.066 -3.664 -3.664 135 1HE LYS 17 2HE LYS 17 12.660 -4.736 -4.736 136 2HE LYS 17 1HE LYS 17 12.243 -3.349 -3.349 137 1HZ LYS 17 1HZ LYS 17 14.447 -3.055 -3.055 138 2HZ LYS 17 2HZ LYS 17 14.737 -3.878 -3.878 139 H ALA 18 H ALA 18 6.707 -5.369 -5.369 140 HA ALA 18 HA ALA 18 5.572 -7.020 -7.020 141 1HB ALA 18 3HB ALA 18 5.680 -7.013 -7.013 142 2HB ALA 18 1HB ALA 18 6.991 -8.197 -8.197 143 3HB ALA 18 2HB ALA 18 5.362 -8.546 -8.546 144 H GLN 19 H GLN 19 6.078 -9.121 -9.121 145 HA GLN 19 HA GLN 19 8.431 -9.058 -9.058 146 1HB GLN 19 2HB GLN 19 6.113 -10.447 -10.447 147 2HB GLN 19 1HB GLN 19 7.118 -11.715 -11.715 148 1HG GLN 19 2HG GLN 19 8.040 -10.060 -10.060 149 2HG GLN 19 1HG GLN 19 7.037 -11.482 -11.482 150 1HE2 GLN 19 2HE2 GLN 19 9.521 -13.753 -13.753 151 2HE2 GLN 19 1HE2 GLN 19 7.848 -13.342 -13.342 152 H SER 20 H SER 20 7.778 -10.125 -10.125 153 HA SER 20 HA SER 20 10.365 -11.472 -11.472 154 1HB SER 20 2HB SER 20 9.270 -12.322 -12.322 155 2HB SER 20 1HB SER 20 9.027 -13.160 -13.160 156 HG SER 20 HG SER 20 7.166 -11.986 -11.986 157 H GLY 21 H GLY 21 8.740 -8.617 -8.617 158 1HA GLY 21 1HA GLY 21 9.559 -6.785 -6.785 159 2HA GLY 21 2HA GLY 21 10.886 -7.735 -7.735 160 H LYS 22 H LYS 22 7.837 -9.302 -9.302 161 HA LYS 22 HA LYS 22 8.010 -8.819 -8.819 162 1HB LYS 22 2HB LYS 22 7.465 -11.037 -11.037 163 2HB LYS 22 1HB LYS 22 5.827 -10.417 -10.417 164 1HG LYS 22 2HG LYS 22 6.270 -10.033 -10.033 165 2HG LYS 22 1HG LYS 22 7.620 -11.128 -11.128 166 1HD LYS 22 2HD LYS 22 6.206 -12.892 -12.892 167 2HD LYS 22 1HD LYS 22 5.385 -12.342 -12.342 168 1HE LYS 22 2HE LYS 22 3.712 -12.488 -12.488 169 2HE LYS 22 1HE LYS 22 3.995 -10.783 -10.783 170 1HZ LYS 22 1HZ LYS 22 4.608 -12.336 -12.336 171 2HZ LYS 22 2HZ LYS 22 4.327 -10.737 -10.737 172 H THR 23 H THR 23 5.466 -8.430 -8.430 173 HA THR 23 HA THR 23 3.703 -6.997 -6.997 174 HB THR 23 HB THR 23 3.961 -7.907 -7.907 175 HG1 THR 23 1HG THR 23 1.935 -8.361 -8.361 176 1HG2 THR 23 3HG2 THR 23 4.152 -5.232 -5.232 177 2HG2 THR 23 1HG2 THR 23 2.414 -5.313 -5.313 178 3HG2 THR 23 2HG2 THR 23 3.052 -6.137 -6.137 179 H ALA 24 H ALA 24 2.982 -4.640 -4.640 180 HA ALA 24 HA ALA 24 4.746 -2.794 -2.794 181 1HB ALA 24 3HB ALA 24 5.263 -3.556 -3.556 182 2HB ALA 24 1HB ALA 24 5.444 -1.855 -1.855 183 3HB ALA 24 2HB ALA 24 6.415 -3.117 -3.117 184 H ILE 25 H ILE 25 3.436 -1.082 -1.082 185 HA ILE 25 HA ILE 25 1.733 0.315 0.315 186 HB ILE 25 HB ILE 25 1.542 -0.144 -0.144 187 1HG1 ILE 25 2HG1 ILE 25 3.410 1.921 1.921 188 2HG1 ILE 25 3HG1 ILE 25 3.929 0.578 0.578 189 1HG2 ILE 25 2HG2 ILE 25 0.797 1.983 1.983 190 2HG2 ILE 25 3HG2 ILE 25 1.425 2.513 2.513 191 3HG2 ILE 25 1HG2 ILE 25 -0.002 1.453 1.453 192 1HD1 ILE 25 3HD1 ILE 25 3.765 -0.947 -0.947 193 2HD1 ILE 25 1HD1 ILE 25 3.318 0.455 0.455 194 3HD1 ILE 25 2HD1 ILE 25 4.928 0.378 0.378 195 H CYS 26 H CYS 26 -0.369 0.077 0.077 196 HA CYS 26 HA CYS 26 -1.958 -1.930 -1.930 197 1HB CYS 26 2HB CYS 26 -1.198 -3.378 -3.378 198 2HB CYS 26 1HB CYS 26 -1.073 -2.129 -2.129 199 H LYS 27 H LYS 27 -3.577 -0.537 -0.537 200 HA LYS 27 HA LYS 27 -4.265 1.861 1.861 201 1HB LYS 27 2HB LYS 27 -6.383 -0.168 -0.168 202 2HB LYS 27 1HB LYS 27 -6.397 1.562 1.562 203 1HG LYS 27 2HG LYS 27 -5.585 1.067 1.067 204 2HG LYS 27 1HG LYS 27 -4.045 0.828 0.828 205 1HD LYS 27 2HD LYS 27 -5.501 -1.597 -1.597 206 2HD LYS 27 1HD LYS 27 -5.762 -1.143 -1.143 207 1HE LYS 27 2HE LYS 27 -3.066 -0.653 -0.653 208 2HE LYS 27 1HE LYS 27 -3.232 -1.954 -1.954 209 1HZ LYS 27 1HZ LYS 27 -2.963 -3.114 -3.114 210 2HZ LYS 27 2HZ LYS 27 -4.590 -3.048 -3.048 211 H CYS 28 H CYS 28 -5.426 2.846 2.846 212 HA CYS 28 HA CYS 28 -5.771 1.164 1.164 213 1HB CYS 28 2HB CYS 28 -5.542 4.102 4.102 214 2HB CYS 28 1HB CYS 28 -6.379 3.563 3.563 215 H TYR 29 H TYR 29 -7.756 0.252 0.252 216 HA TYR 29 HA TYR 29 -10.083 1.505 1.505 217 1HB TYR 29 2HB TYR 29 -10.936 -0.746 -0.746 218 2HB TYR 29 1HB TYR 29 -9.220 -1.006 -1.006 219 HD1 TYR 29 HD1 TYR 29 -7.772 -1.631 -1.631 220 HD2 TYR 29 HD2 TYR 29 -12.047 -1.611 -1.611 221 HE1 TYR 29 HE1 TYR 29 -7.706 -3.110 -3.110 222 HE2 TYR 29 HE2 TYR 29 -11.967 -3.090 -3.090 223 HH TYR 29 HH TYR 29 -9.202 -3.535 -3.535 224 H VAL 30 H VAL 30 -8.508 1.934 1.934 225 HA VAL 30 HA VAL 30 -11.005 2.039 2.039 226 HB VAL 30 HB VAL 30 -9.823 1.428 1.428 227 1HG1 VAL 30 2HG1 VAL 30 -9.649 -0.338 -0.338 228 2HG1 VAL 30 3HG1 VAL 30 -8.704 -0.835 -0.835 229 3HG1 VAL 30 1HG1 VAL 30 -10.461 -0.591 -0.591 230 1HG2 VAL 30 3HG2 VAL 30 -7.532 2.349 2.349 231 2HG2 VAL 30 1HG2 VAL 30 -7.641 1.780 1.780 232 3HG2 VAL 30 2HG2 VAL 30 -7.249 0.633 0.633 233 H LYS 31 H LYS 31 -9.166 3.273 3.273 234 HA LYS 31 HA LYS 31 -9.775 5.894 5.894 235 1HB LYS 31 2HB LYS 31 -7.470 4.722 4.722 236 2HB LYS 31 1HB LYS 31 -8.043 6.372 6.372 237 1HG LYS 31 2HG LYS 31 -10.410 4.952 4.952 238 2HG LYS 31 1HG LYS 31 -9.265 3.854 3.854 239 1HD LYS 31 2HD LYS 31 -9.379 5.123 5.123 240 2HD LYS 31 1HD LYS 31 -8.530 6.386 6.386 241 1HE LYS 31 2HE LYS 31 -10.816 7.153 7.153 242 2HE LYS 31 1HE LYS 31 -11.553 6.028 6.028 243 1HZ LYS 31 1HZ LYS 31 -9.664 7.551 7.551 244 2HZ LYS 31 2HZ LYS 31 -10.582 8.594 8.594 245 H LYS 32 H LYS 32 -9.396 6.761 6.761 246 HA LYS 32 HA LYS 32 -7.381 6.381 6.381 247 1HB LYS 32 2HB LYS 32 -9.017 7.817 7.817 248 2HB LYS 32 1HB LYS 32 -9.012 8.791 8.791 249 1HG LYS 32 2HG LYS 32 -6.726 9.660 9.660 250 2HG LYS 32 1HG LYS 32 -6.804 8.736 8.736 251 1HD LYS 32 2HD LYS 32 -7.487 11.176 11.176 252 2HD LYS 32 1HD LYS 32 -8.670 10.028 10.028 253 1HE LYS 32 2HE LYS 32 -10.148 10.398 10.398 254 2HE LYS 32 1HE LYS 32 -8.872 10.912 10.912 255 1HZ LYS 32 1HZ LYS 32 -9.003 13.036 13.036 256 2HZ LYS 32 2HZ LYS 32 -9.236 12.613 12.613 257 H CYS 33 H CYS 33 -5.319 7.434 7.434 258 HA CYS 33 HA CYS 33 -3.669 7.496 7.496 259 1HB CYS 33 2HB CYS 33 -2.699 6.820 6.820 260 2HB CYS 33 1HB CYS 33 -3.281 8.229 8.229 261 HA PRO 34 HA PRO 34 -4.220 11.675 11.675 262 1HB PRO 34 2HB PRO 34 -2.093 11.989 11.989 263 2HB PRO 34 1HB PRO 34 -3.601 11.240 11.240 264 1HG PRO 34 2HG PRO 34 -1.004 9.961 9.961 265 2HG PRO 34 1HG PRO 34 -2.372 9.309 9.309 266 1HD PRO 34 2HD PRO 34 -1.610 8.685 8.685 267 2HD PRO 34 1HD PRO 34 -3.041 8.124 8.124 268 H ARG 35 H ARG 35 -1.087 10.670 10.670 269 HA ARG 35 HA ARG 35 -1.041 12.687 12.687 270 1HB ARG 35 2HB ARG 35 0.998 13.965 13.965 271 2HB ARG 35 1HB ARG 35 -0.596 14.361 14.361 272 1HG ARG 35 2HG ARG 35 -0.243 12.769 12.769 273 2HG ARG 35 1HG ARG 35 1.362 12.411 12.411 274 1HD ARG 35 2HD ARG 35 1.463 14.113 14.113 275 2HD ARG 35 1HD ARG 35 2.036 14.783 14.783 276 HE ARG 35 HE ARG 35 -0.479 15.474 15.474 277 1HH1 ARG 35 1HH2 ARG 35 0.572 17.148 17.148 278 2HH1 ARG 35 2HH2 ARG 35 1.434 15.758 15.758 279 HH2 ARG 35 1HH ARG 35 -1.217 18.042 18.042 280 H ASP 36 H ASP 36 0.952 12.565 12.565 281 HA ASP 36 HA ASP 36 1.895 10.079 10.079 282 1HB ASP 36 2HB ASP 36 2.553 11.374 11.374 283 2HB ASP 36 1HB ASP 36 2.726 12.808 12.808 284 HD2 ASP 36 2HD ASP 36 4.612 13.505 13.505 285 H GLY 37 H GLY 37 3.447 8.779 8.779 286 1HA GLY 37 1HA GLY 37 5.532 8.498 8.498 287 2HA GLY 37 2HA GLY 37 5.390 10.092 10.092 288 H ALA 38 H ALA 38 2.430 9.596 9.596 289 HA ALA 38 HA ALA 38 2.562 9.004 9.004 290 1HB ALA 38 3HB ALA 38 0.399 8.323 8.323 291 2HB ALA 38 1HB ALA 38 0.164 8.223 8.223 292 3HB ALA 38 2HB ALA 38 0.531 9.790 9.790 293 H LYS 39 H LYS 39 3.230 7.310 7.310 294 HA LYS 39 HA LYS 39 4.052 4.914 4.914 295 1HB LYS 39 2HB LYS 39 5.036 5.894 5.894 296 2HB LYS 39 1HB LYS 39 3.561 5.538 5.538 297 1HG LYS 39 2HG LYS 39 4.627 3.199 3.199 298 2HG LYS 39 1HG LYS 39 5.742 3.817 3.817 299 1HD LYS 39 2HD LYS 39 3.482 3.873 3.873 300 2HD LYS 39 1HD LYS 39 3.015 2.606 2.606 301 1HE LYS 39 2HE LYS 39 4.790 1.175 1.175 302 2HE LYS 39 1HE LYS 39 5.743 2.493 2.493 303 1HZ LYS 39 1HZ LYS 39 3.871 2.734 2.734 304 2HZ LYS 39 2HZ LYS 39 3.318 1.287 1.287 305 H CYS 40 H CYS 40 3.188 2.759 2.759 306 HA CYS 40 HA CYS 40 0.532 2.490 2.490 307 1HB CYS 40 2HB CYS 40 -0.135 1.429 1.429 308 2HB CYS 40 1HB CYS 40 -0.405 3.121 3.121 309 H GLU 41 H GLU 41 -0.168 0.019 0.019 310 HA GLU 41 HA GLU 41 2.134 -1.650 -1.650 311 1HB GLU 41 2HB GLU 41 1.372 -2.972 -2.972 312 2HB GLU 41 1HB GLU 41 2.396 -1.563 -1.563 313 1HG GLU 41 2HG GLU 41 -0.643 -1.369 -1.369 314 2HG GLU 41 1HG GLU 41 0.318 -1.719 -1.719 315 HE2 GLU 41 2HE GLU 41 -0.123 1.847 1.847 316 H PHE 42 H PHE 42 1.565 -3.826 -3.826 317 HA PHE 42 HA PHE 42 -1.287 -4.080 -4.080 318 1HB PHE 42 2HB PHE 42 0.288 -3.877 -3.877 319 2HB PHE 42 1HB PHE 42 1.300 -5.145 -5.145 320 HD1 PHE 42 2HD PHE 42 -2.378 -4.847 -4.847 321 HD2 PHE 42 1HD PHE 42 1.191 -7.040 -7.040 322 HE1 PHE 42 2HE PHE 42 -3.677 -6.559 -6.559 323 HE2 PHE 42 1HE PHE 42 -0.107 -8.752 -8.752 324 HZ PHE 42 HZ PHE 42 -2.526 -8.491 -8.491 325 H ASP 43 H ASP 43 -2.280 -5.466 -5.466 326 HA ASP 43 HA ASP 43 -0.763 -7.390 -7.390 327 1HB ASP 43 2HB ASP 43 -3.055 -6.102 -6.102 328 2HB ASP 43 1HB ASP 43 -3.776 -7.507 -7.507 329 HD1 ASP 43 2HD ASP 43 -1.815 -9.349 -9.349 330 H SER 44 H SER 44 -0.449 -9.565 -9.565 331 HA SER 44 HA SER 44 -1.640 -10.378 -10.378 332 1HB SER 44 2HB SER 44 0.116 -11.909 -11.909 333 2HB SER 44 1HB SER 44 0.878 -10.614 -10.614 334 HG SER 44 HG SER 44 1.120 -11.905 -11.905 335 H TYR 45 H TYR 45 -2.345 -10.541 -10.541 336 HA TYR 45 HA TYR 45 -3.101 -13.181 -13.181 337 1HB TYR 45 2HB TYR 45 -4.159 -12.192 -12.192 338 2HB TYR 45 1HB TYR 45 -2.944 -10.996 -10.996 339 HD1 TYR 45 HD1 TYR 45 -4.072 -9.487 -9.487 340 HD2 TYR 45 HD2 TYR 45 -6.039 -11.112 -11.112 341 HE1 TYR 45 HE1 TYR 45 -5.887 -7.717 -7.717 342 HE2 TYR 45 HE2 TYR 45 -7.848 -9.337 -9.337 343 HH TYR 45 HH TYR 45 -8.458 -7.499 -7.499 344 H LYS 46 H LYS 46 -4.449 -10.765 -10.765 345 HA LYS 46 HA LYS 46 -6.647 -12.583 -12.583 346 1HB LYS 46 2HB LYS 46 -6.979 -9.687 -9.687 347 2HB LYS 46 1HB LYS 46 -8.182 -10.540 -10.540 348 1HG LYS 46 2HG LYS 46 -7.824 -12.385 -12.385 349 2HG LYS 46 1HG LYS 46 -7.375 -10.950 -10.950 350 1HD LYS 46 2HD LYS 46 -9.687 -11.003 -11.003 351 2HD LYS 46 1HD LYS 46 -9.596 -9.925 -9.925 352 1HE LYS 46 2HE LYS 46 -10.045 -11.854 -11.854 353 2HE LYS 46 1HE LYS 46 -10.141 -12.929 -12.929 354 1HZ LYS 46 1HZ LYS 46 -11.883 -10.546 -10.546 355 2HZ LYS 46 2HZ LYS 46 -12.316 -11.926 -11.926 356 H GLY 47 H GLY 47 -5.285 -9.325 -9.325 357 1HA GLY 47 1HA GLY 47 -3.963 -9.401 -9.401 358 2HA GLY 47 2HA GLY 47 -5.345 -10.221 -10.221 359 H LYS 48 H LYS 48 -5.282 -7.470 -7.470 360 HA LYS 48 HA LYS 48 -6.593 -5.852 -5.852 361 1HB LYS 48 2HB LYS 48 -7.287 -6.197 -6.197 362 2HB LYS 48 1HB LYS 48 -7.761 -4.763 -4.763 363 1HG LYS 48 2HG LYS 48 -8.424 -7.626 -7.626 364 2HG LYS 48 1HG LYS 48 -9.530 -6.550 -6.550 365 1HD LYS 48 2HD LYS 48 -10.151 -5.653 -5.653 366 2HD LYS 48 1HD LYS 48 -8.512 -5.089 -5.089 367 1HE LYS 48 2HE LYS 48 -8.381 -7.854 -7.854 368 2HE LYS 48 1HE LYS 48 -9.917 -7.352 -7.352 369 1HZ LYS 48 1HZ LYS 48 -8.370 -6.897 -6.897 370 2HZ LYS 48 2HZ LYS 48 -8.553 -5.428 -5.428 371 H CYS 49 H CYS 49 -6.070 -3.596 -3.596 372 HA CYS 49 HA CYS 49 -3.413 -3.133 -3.133 373 1HB CYS 49 2HB CYS 49 -3.390 -2.216 -2.216 374 2HB CYS 49 1HB CYS 49 -5.131 -2.024 -2.024 375 H TYR 50 H TYR 50 -3.333 -2.592 -2.592 376 HA TYR 50 HA TYR 50 -5.513 -1.165 -1.165 377 1HB TYR 50 2HB TYR 50 -2.896 -2.521 -2.521 378 2HB TYR 50 1HB TYR 50 -3.380 -1.255 -1.255 379 HD1 TYR 50 HD2 TYR 50 -6.068 -3.081 -3.081 380 HD2 TYR 50 HD1 TYR 50 -3.470 -3.031 -3.031 381 HE1 TYR 50 HE2 TYR 50 -7.597 -4.718 -4.718 382 HE2 TYR 50 HE1 TYR 50 -5.008 -4.667 -4.667 383 HH TYR 50 HH TYR 50 -7.144 -5.469 -5.469 384 H CYS 51 H CYS 51 -5.154 0.693 0.693 385 HA CYS 51 HA CYS 51 -2.877 2.325 2.325 386 1HB CYS 51 2HB CYS 51 -5.405 3.401 3.401 387 2HB CYS 51 1HB CYS 51 -3.740 3.712 3.712 Start of MODEL 30 1 H ALA 1 H ALA 1 1.711 -11.107 -11.107 2 HA ALA 1 HA ALA 1 4.171 -11.156 -11.156 3 1HB ALA 1 1HB ALA 1 1.425 -12.299 -12.299 4 2HB ALA 1 2HB ALA 1 2.209 -11.890 -11.890 5 3HB ALA 1 3HB ALA 1 2.997 -13.022 -13.022 6 H THR 2 H THR 2 2.466 -8.685 -8.685 7 HA THR 2 HA THR 2 1.499 -7.383 -7.383 8 HB THR 2 HB THR 2 2.543 -5.782 -5.782 9 HG1 THR 2 1HG THR 2 1.805 -7.384 -7.384 10 1HG2 THR 2 2HG2 THR 2 0.745 -5.084 -5.084 11 2HG2 THR 2 3HG2 THR 2 -0.335 -6.213 -6.213 12 3HG2 THR 2 1HG2 THR 2 0.347 -4.811 -4.811 13 H TYR 3 H TYR 3 2.367 -5.636 -5.636 14 HA TYR 3 HA TYR 3 5.311 -5.633 -5.633 15 1HB TYR 3 2HB TYR 3 3.227 -5.315 -5.315 16 2HB TYR 3 1HB TYR 3 4.959 -5.233 -5.233 17 HD1 TYR 3 HD2 TYR 3 2.223 -7.517 -7.517 18 HD2 TYR 3 HD1 TYR 3 6.227 -7.196 -7.196 19 HE1 TYR 3 HE2 TYR 3 2.293 -10.030 -10.030 20 HE2 TYR 3 HE1 TYR 3 6.284 -9.710 -9.710 21 HH TYR 3 HH TYR 3 3.395 -11.662 -11.662 22 H ASN 4 H ASN 4 6.228 -3.688 -3.688 23 HA ASN 4 HA ASN 4 4.500 -1.425 -1.425 24 1HB ASN 4 2HB ASN 4 7.458 -1.908 -1.908 25 2HB ASN 4 1HB ASN 4 6.774 -0.297 -0.297 26 1HD2 ASN 4 2HD2 ASN 4 4.981 -3.081 -3.081 27 2HD2 ASN 4 1HD2 ASN 4 5.245 -3.387 -3.387 28 H GLY 5 H GLY 5 4.746 0.529 0.529 29 1HA GLY 5 1HA GLY 5 6.785 0.757 0.757 30 2HA GLY 5 2HA GLY 5 5.258 0.241 0.241 31 H LYS 6 H LYS 6 4.538 2.082 2.082 32 HA LYS 6 HA LYS 6 3.804 4.292 4.292 33 1HB LYS 6 2HB LYS 6 5.355 4.851 4.851 34 2HB LYS 6 1HB LYS 6 4.876 5.981 5.981 35 1HG LYS 6 2HG LYS 6 6.374 4.870 4.870 36 2HG LYS 6 1HG LYS 6 6.795 3.646 3.646 37 1HD LYS 6 2HD LYS 6 7.604 5.603 5.603 38 2HD LYS 6 1HD LYS 6 7.468 6.616 6.616 39 1HE LYS 6 2HE LYS 6 9.693 5.943 5.943 40 2HE LYS 6 1HE LYS 6 8.915 4.696 4.696 41 1HZ LYS 6 1HZ LYS 6 9.866 3.254 3.254 42 2HZ LYS 6 2HZ LYS 6 8.827 3.744 3.744 43 H CYS 7 H CYS 7 2.217 5.756 5.756 44 HA CYS 7 HA CYS 7 0.839 4.304 4.304 45 1HB CYS 7 2HB CYS 7 -1.251 5.452 5.452 46 2HB CYS 7 1HB CYS 7 -0.633 3.962 3.962 47 H TYR 8 H TYR 8 -0.663 5.901 5.901 48 HA TYR 8 HA TYR 8 0.604 8.553 8.553 49 1HB TYR 8 2HB TYR 8 -0.311 6.595 6.595 50 2HB TYR 8 1HB TYR 8 0.139 8.253 8.253 51 HD1 TYR 8 HD2 TYR 8 1.583 5.312 5.312 52 HD2 TYR 8 HD1 TYR 8 2.277 8.582 8.582 53 HE1 TYR 8 HE2 TYR 8 4.013 4.607 4.607 54 HE2 TYR 8 HE1 TYR 8 4.706 7.866 7.866 55 HH TYR 8 HH TYR 8 6.250 6.050 6.050 56 H LYS 9 H LYS 9 -0.779 10.297 10.297 57 HA LYS 9 HA LYS 9 -3.584 9.684 9.684 58 1HB LYS 9 2HB LYS 9 -3.802 12.063 12.063 59 2HB LYS 9 1HB LYS 9 -2.545 11.317 11.317 60 1HG LYS 9 2HG LYS 9 -0.802 12.195 12.195 61 2HG LYS 9 1HG LYS 9 -2.034 12.878 12.878 62 1HD LYS 9 2HD LYS 9 -2.121 13.661 13.661 63 2HD LYS 9 1HD LYS 9 -0.809 14.316 14.316 64 1HE LYS 9 2HE LYS 9 -2.895 14.767 14.767 65 2HE LYS 9 1HE LYS 9 -3.751 14.850 14.850 66 1HZ LYS 9 1HZ LYS 9 -1.460 16.521 16.521 67 2HZ LYS 9 2HZ LYS 9 -2.944 17.021 17.021 68 H LYS 10 H LYS 10 -1.427 11.479 11.479 69 HA LYS 10 HA LYS 10 -3.399 12.329 12.329 70 1HB LYS 10 2HB LYS 10 -0.585 12.352 12.352 71 2HB LYS 10 1HB LYS 10 -0.968 11.602 11.602 72 1HG LYS 10 2HG LYS 10 -2.590 13.531 13.531 73 2HG LYS 10 1HG LYS 10 -1.973 14.303 14.303 74 1HD LYS 10 2HD LYS 10 -0.699 15.245 15.245 75 2HD LYS 10 1HD LYS 10 0.379 14.092 14.092 76 1HE LYS 10 2HE LYS 10 0.613 13.629 13.629 77 2HE LYS 10 1HE LYS 10 -0.473 12.373 12.373 78 1HZ LYS 10 1HZ LYS 10 -1.203 13.595 13.595 79 2HZ LYS 10 2HZ LYS 10 -2.330 13.548 13.548 80 H ASP 11 H ASP 11 -2.029 9.117 9.117 81 HA ASP 11 HA ASP 11 -3.490 8.196 8.196 82 1HB ASP 11 2HB ASP 11 -1.031 7.280 7.280 83 2HB ASP 11 1HB ASP 11 -2.066 6.007 6.007 84 HD2 ASP 11 2HD ASP 11 0.469 6.885 6.885 85 H ASN 12 H ASN 12 -3.439 8.401 8.401 86 HA ASN 12 HA ASN 12 -4.529 7.455 7.455 87 1HB ASN 12 2HB ASN 12 -6.408 8.197 8.197 88 2HB ASN 12 1HB ASN 12 -6.711 6.471 6.471 89 1HD2 ASN 12 2HD2 ASN 12 -8.376 6.254 6.254 90 2HD2 ASN 12 1HD2 ASN 12 -7.798 5.499 5.499 91 H ILE 13 H ILE 13 -2.617 5.726 5.726 92 HA ILE 13 HA ILE 13 -3.916 3.130 3.130 93 HB ILE 13 HB ILE 13 -2.074 2.272 2.272 94 1HG1 ILE 13 2HG1 ILE 13 -1.602 4.137 4.137 95 2HG1 ILE 13 3HG1 ILE 13 -1.858 5.234 5.234 96 1HG2 ILE 13 1HG2 ILE 13 -4.706 3.089 3.089 97 2HG2 ILE 13 2HG2 ILE 13 -3.800 3.772 3.772 98 3HG2 ILE 13 3HG2 ILE 13 -3.731 2.024 2.024 99 1HD1 ILE 13 2HD1 ILE 13 0.047 2.860 2.860 100 2HD1 ILE 13 3HD1 ILE 13 0.560 4.481 4.481 101 3HD1 ILE 13 1HD1 ILE 13 -0.073 4.240 4.240 102 H CYS 14 H CYS 14 -2.256 1.408 1.408 103 HA CYS 14 HA CYS 14 -0.316 2.704 2.704 104 1HB CYS 14 2HB CYS 14 -1.784 1.958 1.958 105 2HB CYS 14 1HB CYS 14 -2.386 0.653 0.653 106 H LYS 15 H LYS 15 1.750 2.155 2.155 107 HA LYS 15 HA LYS 15 2.070 -0.327 -0.327 108 1HB LYS 15 2HB LYS 15 3.869 2.112 2.112 109 2HB LYS 15 1HB LYS 15 4.130 0.692 0.692 110 1HG LYS 15 2HG LYS 15 2.110 1.121 1.121 111 2HG LYS 15 1HG LYS 15 1.593 2.375 2.375 112 1HD LYS 15 2HD LYS 15 2.724 3.914 3.914 113 2HD LYS 15 1HD LYS 15 4.229 3.097 3.097 114 1HE LYS 15 2HE LYS 15 2.367 2.463 2.463 115 2HE LYS 15 1HE LYS 15 3.924 3.261 3.261 116 1HZ LYS 15 1HZ LYS 15 3.750 0.580 0.580 117 2HZ LYS 15 2HZ LYS 15 3.807 0.725 0.725 118 H TYR 16 H TYR 16 3.501 -1.925 -1.925 119 HA TYR 16 HA TYR 16 5.185 -1.402 -1.402 120 1HB TYR 16 2HB TYR 16 4.064 -3.278 -3.278 121 2HB TYR 16 1HB TYR 16 2.915 -1.997 -1.997 122 HD1 TYR 16 HD2 TYR 16 3.983 -5.403 -5.403 123 HD2 TYR 16 HD1 TYR 16 1.018 -2.354 -2.354 124 HE1 TYR 16 HE2 TYR 16 2.433 -7.073 -7.073 125 HE2 TYR 16 HE1 TYR 16 -0.523 -4.035 -4.035 126 HH TYR 16 HH TYR 16 -0.731 -6.042 -6.042 127 H LYS 17 H LYS 17 6.608 -3.308 -3.308 128 HA LYS 17 HA LYS 17 7.468 -4.462 -4.462 129 1HB LYS 17 2HB LYS 17 8.454 -4.454 -4.454 130 2HB LYS 17 1HB LYS 17 9.114 -5.602 -5.602 131 1HG LYS 17 2HG LYS 17 9.891 -3.851 -3.851 132 2HG LYS 17 1HG LYS 17 8.937 -2.632 -2.632 133 1HD LYS 17 2HD LYS 17 11.152 -2.299 -2.299 134 2HD LYS 17 1HD LYS 17 10.334 -3.149 -3.149 135 1HE LYS 17 2HE LYS 17 11.871 -4.811 -4.811 136 2HE LYS 17 1HE LYS 17 11.392 -5.156 -5.156 137 1HZ LYS 17 1HZ LYS 17 13.727 -3.789 -3.789 138 2HZ LYS 17 2HZ LYS 17 13.424 -4.404 -4.404 139 H ALA 18 H ALA 18 7.213 -6.546 -6.546 140 HA ALA 18 HA ALA 18 5.250 -8.128 -8.128 141 1HB ALA 18 1HB ALA 18 5.512 -7.437 -7.437 142 2HB ALA 18 2HB ALA 18 6.207 -9.075 -9.075 143 3HB ALA 18 3HB ALA 18 4.547 -8.801 -8.801 144 H GLN 19 H GLN 19 7.784 -7.959 -7.959 145 HA GLN 19 HA GLN 19 9.246 -9.259 -9.259 146 1HB GLN 19 2HB GLN 19 7.788 -11.030 -11.030 147 2HB GLN 19 1HB GLN 19 7.478 -11.347 -11.347 148 1HG GLN 19 2HG GLN 19 10.296 -11.756 -11.756 149 2HG GLN 19 1HG GLN 19 9.095 -12.919 -12.919 150 1HE2 GLN 19 2HE2 GLN 19 10.796 -13.721 -13.721 151 2HE2 GLN 19 1HE2 GLN 19 11.407 -13.071 -13.071 152 H SER 20 H SER 20 8.698 -10.603 -10.603 153 HA SER 20 HA SER 20 11.390 -11.200 -11.200 154 1HB SER 20 2HB SER 20 8.917 -11.421 -11.421 155 2HB SER 20 1HB SER 20 10.105 -10.698 -10.698 156 HG SER 20 HG SER 20 10.132 -13.042 -13.042 157 H GLY 21 H GLY 21 9.707 -8.208 -8.208 158 1HA GLY 21 1HA GLY 21 10.825 -6.160 -6.160 159 2HA GLY 21 2HA GLY 21 12.034 -6.833 -6.833 160 H LYS 22 H LYS 22 9.577 -8.189 -8.189 161 HA LYS 22 HA LYS 22 9.492 -6.656 -6.656 162 1HB LYS 22 2HB LYS 22 7.593 -8.591 -8.591 163 2HB LYS 22 1HB LYS 22 6.993 -7.632 -7.632 164 1HG LYS 22 2HG LYS 22 9.715 -8.838 -8.838 165 2HG LYS 22 1HG LYS 22 8.373 -9.965 -9.965 166 1HD LYS 22 2HD LYS 22 7.341 -9.009 -9.009 167 2HD LYS 22 1HD LYS 22 8.181 -7.482 -7.482 168 1HE LYS 22 2HE LYS 22 9.707 -10.048 -10.048 169 2HE LYS 22 1HE LYS 22 8.985 -9.110 -9.110 170 1HZ LYS 22 1HZ LYS 22 11.359 -8.547 -8.547 171 2HZ LYS 22 2HZ LYS 22 10.817 -7.834 -7.834 172 H THR 23 H THR 23 7.898 -6.019 -6.019 173 HA THR 23 HA THR 23 6.524 -4.384 -4.384 174 HB THR 23 HB THR 23 8.823 -3.243 -3.243 175 HG1 THR 23 1HG THR 23 7.317 -2.451 -2.451 176 1HG2 THR 23 3HG2 THR 23 6.263 -1.648 -1.648 177 2HG2 THR 23 1HG2 THR 23 7.866 -0.873 -0.873 178 3HG2 THR 23 2HG2 THR 23 7.284 -1.671 -1.671 179 H ALA 24 H ALA 24 4.445 -4.772 -4.772 180 HA ALA 24 HA ALA 24 3.663 -3.878 -3.878 181 1HB ALA 24 1HB ALA 24 3.117 -6.239 -6.239 182 2HB ALA 24 2HB ALA 24 1.593 -5.359 -5.359 183 3HB ALA 24 3HB ALA 24 2.591 -5.847 -5.847 184 H ILE 25 H ILE 25 1.135 -3.208 -3.208 185 HA ILE 25 HA ILE 25 0.998 -1.224 -1.224 186 HB ILE 25 HB ILE 25 -0.433 -1.014 -1.014 187 1HG1 ILE 25 2HG1 ILE 25 1.724 0.630 0.630 188 2HG1 ILE 25 3HG1 ILE 25 2.466 -0.725 -0.725 189 1HG2 ILE 25 1HG2 ILE 25 0.096 0.724 0.724 190 2HG2 ILE 25 2HG2 ILE 25 0.185 1.499 1.499 191 3HG2 ILE 25 3HG2 ILE 25 -1.302 0.659 0.659 192 1HD1 ILE 25 3HD1 ILE 25 0.635 -1.091 -1.091 193 2HD1 ILE 25 1HD1 ILE 25 2.397 -0.888 -0.888 194 3HD1 ILE 25 2HD1 ILE 25 1.732 -2.290 -2.290 195 H CYS 26 H CYS 26 -1.190 -0.727 -0.727 196 HA CYS 26 HA CYS 26 -3.138 -2.817 -2.817 197 1HB CYS 26 2HB CYS 26 -2.269 -3.896 -3.896 198 2HB CYS 26 1HB CYS 26 -1.683 -2.426 -2.426 199 H LYS 27 H LYS 27 -4.700 -1.418 -1.418 200 HA LYS 27 HA LYS 27 -5.051 1.196 1.196 201 1HB LYS 27 2HB LYS 27 -7.377 -0.732 -0.732 202 2HB LYS 27 1HB LYS 27 -7.310 0.929 0.929 203 1HG LYS 27 2HG LYS 27 -5.138 -0.198 -0.198 204 2HG LYS 27 1HG LYS 27 -6.273 -1.533 -1.533 205 1HD LYS 27 2HD LYS 27 -7.599 1.006 1.006 206 2HD LYS 27 1HD LYS 27 -6.290 0.640 0.640 207 1HE LYS 27 2HE LYS 27 -7.919 -1.744 -1.744 208 2HE LYS 27 1HE LYS 27 -8.882 -0.449 -0.449 209 1HZ LYS 27 1HZ LYS 27 -7.982 -0.892 -0.892 210 2HZ LYS 27 2HZ LYS 27 -6.468 -0.643 -0.643 211 H CYS 28 H CYS 28 -6.168 2.561 2.561 212 HA CYS 28 HA CYS 28 -6.254 1.447 1.447 213 1HB CYS 28 2HB CYS 28 -6.468 4.275 4.275 214 2HB CYS 28 1HB CYS 28 -6.646 3.851 3.851 215 H TYR 29 H TYR 29 -8.168 0.097 0.097 216 HA TYR 29 HA TYR 29 -10.649 1.587 1.587 217 1HB TYR 29 2HB TYR 29 -11.508 -0.639 -0.639 218 2HB TYR 29 1HB TYR 29 -9.932 -0.519 -0.519 219 HD1 TYR 29 HD1 TYR 29 -7.951 -1.665 -1.665 220 HD2 TYR 29 HD2 TYR 29 -11.962 -2.291 -2.291 221 HE1 TYR 29 HE1 TYR 29 -7.226 -3.791 -3.791 222 HE2 TYR 29 HE2 TYR 29 -11.223 -4.415 -4.415 223 HH TYR 29 HH TYR 29 -8.772 -6.076 -6.076 224 H VAL 30 H VAL 30 -9.482 2.114 2.114 225 HA VAL 30 HA VAL 30 -11.535 1.202 1.202 226 HB VAL 30 HB VAL 30 -9.564 0.322 0.322 227 1HG1 VAL 30 1HG1 VAL 30 -11.717 -0.810 -0.810 228 2HG1 VAL 30 2HG1 VAL 30 -10.347 -1.945 -1.945 229 3HG1 VAL 30 3HG1 VAL 30 -10.987 -1.393 -1.393 230 1HG2 VAL 30 3HG2 VAL 30 -8.143 0.563 0.563 231 2HG2 VAL 30 1HG2 VAL 30 -7.764 -0.599 -0.599 232 3HG2 VAL 30 2HG2 VAL 30 -8.699 -1.123 -1.123 233 H LYS 31 H LYS 31 -8.050 2.217 2.217 234 HA LYS 31 HA LYS 31 -9.046 4.607 4.607 235 1HB LYS 31 2HB LYS 31 -7.150 2.602 2.602 236 2HB LYS 31 1HB LYS 31 -6.324 4.139 4.139 237 1HG LYS 31 2HG LYS 31 -7.140 4.277 4.277 238 2HG LYS 31 1HG LYS 31 -8.393 5.123 5.123 239 1HD LYS 31 2HD LYS 31 -9.712 2.973 2.973 240 2HD LYS 31 1HD LYS 31 -8.479 2.186 2.186 241 1HE LYS 31 2HE LYS 31 -9.938 4.690 4.690 242 2HE LYS 31 1HE LYS 31 -10.542 3.076 3.076 243 1HZ LYS 31 1HZ LYS 31 -7.756 3.390 3.390 244 2HZ LYS 31 2HZ LYS 31 -8.724 4.369 4.369 245 H LYS 32 H LYS 32 -9.055 6.244 6.244 246 HA LYS 32 HA LYS 32 -7.603 6.337 6.337 247 1HB LYS 32 2HB LYS 32 -9.581 7.763 7.763 248 2HB LYS 32 1HB LYS 32 -8.413 8.776 8.776 249 1HG LYS 32 2HG LYS 32 -7.160 8.823 8.823 250 2HG LYS 32 1HG LYS 32 -8.680 8.256 8.256 251 1HD LYS 32 2HD LYS 32 -9.173 10.493 10.493 252 2HD LYS 32 1HD LYS 32 -9.608 10.305 10.305 253 1HE LYS 32 2HE LYS 32 -7.563 11.237 11.237 254 2HE LYS 32 1HE LYS 32 -6.732 10.921 10.921 255 1HZ LYS 32 1HZ LYS 32 -8.865 12.595 12.595 256 2HZ LYS 32 2HZ LYS 32 -8.195 13.230 13.230 257 H CYS 33 H CYS 33 -5.699 7.554 7.554 258 HA CYS 33 HA CYS 33 -3.633 7.283 7.283 259 1HB CYS 33 2HB CYS 33 -3.276 6.619 6.619 260 2HB CYS 33 1HB CYS 33 -3.553 8.265 8.265 261 HA PRO 34 HA PRO 34 -3.903 11.472 11.472 262 1HB PRO 34 2HB PRO 34 -1.654 11.612 11.612 263 2HB PRO 34 1HB PRO 34 -3.178 10.970 10.970 264 1HG PRO 34 2HG PRO 34 -0.726 9.511 9.511 265 2HG PRO 34 1HG PRO 34 -2.078 8.952 8.952 266 1HD PRO 34 2HD PRO 34 -1.540 8.302 8.302 267 2HD PRO 34 1HD PRO 34 -2.951 7.838 7.838 268 H ARG 35 H ARG 35 -0.959 10.244 10.244 269 HA ARG 35 HA ARG 35 -0.853 12.151 12.151 270 1HB ARG 35 2HB ARG 35 1.180 13.517 13.517 271 2HB ARG 35 1HB ARG 35 -0.421 13.955 13.955 272 1HG ARG 35 2HG ARG 35 -0.056 12.455 12.455 273 2HG ARG 35 1HG ARG 35 1.587 12.186 12.186 274 1HD ARG 35 2HD ARG 35 0.372 14.902 14.902 275 2HD ARG 35 1HD ARG 35 1.495 13.998 13.998 276 HE ARG 35 HE ARG 35 2.134 15.467 15.467 277 1HH1 ARG 35 2HH2 ARG 35 3.259 13.166 13.166 278 2HH1 ARG 35 1HH2 ARG 35 4.935 13.401 13.401 279 HH2 ARG 35 1HH ARG 35 5.550 14.940 14.940 280 H ASP 36 H ASP 36 0.964 11.765 11.765 281 HA ASP 36 HA ASP 36 1.987 9.323 9.323 282 1HB ASP 36 2HB ASP 36 3.610 11.785 11.785 283 2HB ASP 36 1HB ASP 36 3.725 10.190 10.190 284 HD2 ASP 36 2HD ASP 36 1.029 10.458 10.458 285 H GLY 37 H GLY 37 3.777 8.197 8.197 286 1HA GLY 37 1HA GLY 37 5.820 8.036 8.036 287 2HA GLY 37 2HA GLY 37 5.694 9.703 9.703 288 H ALA 38 H ALA 38 2.678 8.983 8.983 289 HA ALA 38 HA ALA 38 3.025 8.724 8.724 290 1HB ALA 38 2HB ALA 38 0.721 8.197 8.197 291 2HB ALA 38 3HB ALA 38 0.549 7.982 7.982 292 3HB ALA 38 1HB ALA 38 0.971 9.578 9.578 293 H LYS 39 H LYS 39 3.790 7.067 7.067 294 HA LYS 39 HA LYS 39 4.302 4.551 4.551 295 1HB LYS 39 2HB LYS 39 5.530 5.615 5.615 296 2HB LYS 39 1HB LYS 39 4.141 5.335 5.335 297 1HG LYS 39 2HG LYS 39 4.405 2.819 2.819 298 2HG LYS 39 1HG LYS 39 6.059 3.336 3.336 299 1HD LYS 39 2HD LYS 39 6.252 4.009 4.009 300 2HD LYS 39 1HD LYS 39 4.578 3.570 3.570 301 1HE LYS 39 2HE LYS 39 5.107 1.373 1.373 302 2HE LYS 39 1HE LYS 39 6.000 1.344 1.344 303 1HZ LYS 39 1HZ LYS 39 7.478 2.785 2.785 304 2HZ LYS 39 2HZ LYS 39 7.074 1.337 1.337 305 H CYS 40 H CYS 40 3.317 2.487 2.487 306 HA CYS 40 HA CYS 40 0.830 2.393 2.393 307 1HB CYS 40 2HB CYS 40 -0.221 3.265 3.265 308 2HB CYS 40 1HB CYS 40 0.877 2.492 2.492 309 H GLU 41 H GLU 41 -0.003 0.067 0.067 310 HA GLU 41 HA GLU 41 2.196 -1.736 -1.736 311 1HB GLU 41 2HB GLU 41 0.532 -2.839 -2.839 312 2HB GLU 41 1HB GLU 41 2.242 -2.457 -2.457 313 1HG GLU 41 2HG GLU 41 0.001 -0.427 -0.427 314 2HG GLU 41 1HG GLU 41 0.896 -1.216 -1.216 315 HE2 GLU 41 2HE GLU 41 2.578 1.888 1.888 316 H PHE 42 H PHE 42 1.660 -3.200 -3.200 317 HA PHE 42 HA PHE 42 -1.119 -3.493 -3.493 318 1HB PHE 42 2HB PHE 42 0.378 -3.362 -3.362 319 2HB PHE 42 1HB PHE 42 1.635 -4.258 -4.258 320 HD1 PHE 42 2HD PHE 42 -1.731 -4.693 -4.693 321 HD2 PHE 42 1HD PHE 42 1.949 -6.519 -6.519 322 HE1 PHE 42 2HE PHE 42 -2.413 -6.779 -6.779 323 HE2 PHE 42 1HE PHE 42 1.266 -8.605 -8.605 324 HZ PHE 42 HZ PHE 42 -0.906 -8.710 -8.710 325 H ASP 43 H ASP 43 -2.343 -4.863 -4.863 326 HA ASP 43 HA ASP 43 -1.215 -6.956 -6.956 327 1HB ASP 43 2HB ASP 43 -3.618 -5.635 -5.635 328 2HB ASP 43 1HB ASP 43 -4.101 -7.120 -7.120 329 HD1 ASP 43 2HD ASP 43 -2.256 -8.172 -8.172 330 H SER 44 H SER 44 -0.908 -9.145 -9.145 331 HA SER 44 HA SER 44 -1.473 -9.767 -9.767 332 1HB SER 44 2HB SER 44 -0.186 -11.964 -11.964 333 2HB SER 44 1HB SER 44 0.520 -10.812 -10.812 334 HG SER 44 HG SER 44 0.485 -10.731 -10.731 335 H TYR 45 H TYR 45 -2.858 -10.157 -10.157 336 HA TYR 45 HA TYR 45 -3.884 -12.764 -12.764 337 1HB TYR 45 2HB TYR 45 -5.065 -12.022 -12.022 338 2HB TYR 45 1HB TYR 45 -3.689 -10.937 -10.937 339 HD1 TYR 45 HD1 TYR 45 -4.504 -9.030 -9.030 340 HD2 TYR 45 HD2 TYR 45 -6.764 -10.764 -10.764 341 HE1 TYR 45 HE1 TYR 45 -6.082 -7.037 -7.037 342 HE2 TYR 45 HE2 TYR 45 -8.334 -8.765 -8.765 343 HH TYR 45 HH TYR 45 -8.931 -6.968 -6.968 344 H LYS 46 H LYS 46 -4.526 -10.003 -10.003 345 HA LYS 46 HA LYS 46 -6.748 -11.318 -11.318 346 1HB LYS 46 2HB LYS 46 -8.493 -10.159 -10.159 347 2HB LYS 46 1HB LYS 46 -7.450 -9.729 -9.729 348 1HG LYS 46 2HG LYS 46 -6.914 -7.603 -7.603 349 2HG LYS 46 1HG LYS 46 -7.380 -8.080 -8.080 350 1HD LYS 46 2HD LYS 46 -9.001 -6.535 -6.535 351 2HD LYS 46 1HD LYS 46 -9.688 -7.866 -7.866 352 1HE LYS 46 2HE LYS 46 -8.855 -8.516 -8.516 353 2HE LYS 46 1HE LYS 46 -10.208 -7.412 -7.412 354 1HZ LYS 46 1HZ LYS 46 -10.175 -10.207 -10.207 355 2HZ LYS 46 2HZ LYS 46 -11.463 -9.214 -9.214 356 H GLY 47 H GLY 47 -4.779 -8.321 -8.321 357 1HA GLY 47 1HA GLY 47 -3.336 -7.705 -7.705 358 2HA GLY 47 2HA GLY 47 -4.579 -8.209 -8.209 359 H LYS 48 H LYS 48 -5.627 -6.565 -6.565 360 HA LYS 48 HA LYS 48 -6.844 -4.510 -4.510 361 1HB LYS 48 2HB LYS 48 -7.223 -5.614 -5.614 362 2HB LYS 48 1HB LYS 48 -6.443 -4.109 -4.109 363 1HG LYS 48 2HG LYS 48 -8.187 -3.134 -3.134 364 2HG LYS 48 1HG LYS 48 -9.091 -4.552 -4.552 365 1HD LYS 48 2HD LYS 48 -8.058 -3.297 -3.297 366 2HD LYS 48 1HD LYS 48 -8.790 -2.046 -2.046 367 1HE LYS 48 2HE LYS 48 -10.885 -3.392 -3.392 368 2HE LYS 48 1HE LYS 48 -10.156 -4.668 -4.668 369 1HZ LYS 48 1HZ LYS 48 -9.905 -2.200 -2.200 370 2HZ LYS 48 2HZ LYS 48 -11.467 -2.423 -2.423 371 H CYS 49 H CYS 49 -6.360 -2.160 -2.160 372 HA CYS 49 HA CYS 49 -3.502 -1.714 -1.714 373 1HB CYS 49 2HB CYS 49 -3.966 -0.882 -0.882 374 2HB CYS 49 1HB CYS 49 -5.637 -0.522 -0.522 375 H TYR 50 H TYR 50 -3.381 -1.546 -1.546 376 HA TYR 50 HA TYR 50 -5.223 0.111 0.111 377 1HB TYR 50 2HB TYR 50 -2.678 -1.503 -1.503 378 2HB TYR 50 1HB TYR 50 -3.097 -0.338 -0.338 379 HD1 TYR 50 HD2 TYR 50 -5.867 -1.893 -1.893 380 HD2 TYR 50 HD1 TYR 50 -3.248 -2.267 -2.267 381 HE1 TYR 50 HE2 TYR 50 -7.450 -3.580 -3.580 382 HE2 TYR 50 HE1 TYR 50 -4.840 -3.953 -3.953 383 HH TYR 50 HH TYR 50 -6.538 -5.522 -5.522 384 H CYS 51 H CYS 51 -4.609 1.915 1.915 385 HA CYS 51 HA CYS 51 -2.180 3.248 3.248 386 1HB CYS 51 2HB CYS 51 -4.730 4.623 4.623 387 2HB CYS 51 1HB CYS 51 -3.091 4.944 4.944 Start of MODEL 31 1 H ALA 1 H ALA 1 1.554 -11.779 -11.779 2 HA ALA 1 HA ALA 1 4.127 -11.160 -11.160 3 1HB ALA 1 3HB ALA 1 2.032 -12.994 -12.994 4 2HB ALA 1 1HB ALA 1 2.078 -11.931 -11.931 5 3HB ALA 1 2HB ALA 1 3.541 -12.812 -12.812 6 H THR 2 H THR 2 2.781 -8.853 -8.853 7 HA THR 2 HA THR 2 1.444 -7.492 -7.492 8 HB THR 2 HB THR 2 2.701 -6.048 -6.048 9 HG1 THR 2 1HG THR 2 1.780 -7.511 -7.511 10 1HG2 THR 2 3HG2 THR 2 0.881 -5.104 -5.104 11 2HG2 THR 2 1HG2 THR 2 -0.225 -6.277 -6.277 12 3HG2 THR 2 2HG2 THR 2 0.530 -5.003 -5.003 13 H TYR 3 H TYR 3 2.168 -5.932 -5.932 14 HA TYR 3 HA TYR 3 5.097 -5.818 -5.818 15 1HB TYR 3 2HB TYR 3 2.752 -5.389 -5.389 16 2HB TYR 3 1HB TYR 3 4.435 -5.225 -5.225 17 HD1 TYR 3 HD2 TYR 3 2.142 -7.744 -7.744 18 HD2 TYR 3 HD1 TYR 3 5.488 -7.044 -7.044 19 HE1 TYR 3 HE2 TYR 3 2.237 -10.222 -10.222 20 HE2 TYR 3 HE1 TYR 3 5.572 -9.524 -9.524 21 HH TYR 3 HH TYR 3 3.453 -11.466 -11.466 22 H ASN 4 H ASN 4 6.019 -3.936 -3.936 23 HA ASN 4 HA ASN 4 4.331 -1.644 -1.644 24 1HB ASN 4 2HB ASN 4 7.329 -1.530 -1.530 25 2HB ASN 4 1HB ASN 4 6.072 -0.750 -0.750 26 1HD2 ASN 4 2HD2 ASN 4 5.127 -4.103 -4.103 27 2HD2 ASN 4 1HD2 ASN 4 4.378 -2.990 -2.990 28 H GLY 5 H GLY 5 4.810 0.442 0.442 29 1HA GLY 5 1HA GLY 5 6.874 0.776 0.776 30 2HA GLY 5 2HA GLY 5 5.431 0.236 0.236 31 H LYS 6 H LYS 6 4.592 2.041 2.041 32 HA LYS 6 HA LYS 6 3.804 4.212 4.212 33 1HB LYS 6 2HB LYS 6 5.444 4.617 4.617 34 2HB LYS 6 1HB LYS 6 4.635 5.896 5.896 35 1HG LYS 6 2HG LYS 6 5.981 5.475 5.475 36 2HG LYS 6 1HG LYS 6 6.657 4.016 4.016 37 1HD LYS 6 2HD LYS 6 7.529 5.579 5.579 38 2HD LYS 6 1HD LYS 6 7.179 6.897 6.897 39 1HE LYS 6 2HE LYS 6 9.236 6.532 6.532 40 2HE LYS 6 1HE LYS 6 8.563 5.086 5.086 41 1HZ LYS 6 1HZ LYS 6 9.364 4.746 4.746 42 2HZ LYS 6 2HZ LYS 6 10.604 5.075 5.075 43 H CYS 7 H CYS 7 2.152 5.650 5.650 44 HA CYS 7 HA CYS 7 0.772 4.200 4.200 45 1HB CYS 7 2HB CYS 7 -1.389 4.913 4.913 46 2HB CYS 7 1HB CYS 7 -0.519 3.539 3.539 47 H TYR 8 H TYR 8 -0.649 5.665 5.665 48 HA TYR 8 HA TYR 8 0.274 8.452 8.452 49 1HB TYR 8 2HB TYR 8 -0.722 6.714 6.714 50 2HB TYR 8 1HB TYR 8 -0.194 8.376 8.376 51 HD1 TYR 8 HD2 TYR 8 2.061 7.508 7.508 52 HD2 TYR 8 HD1 TYR 8 1.015 6.357 6.357 53 HE1 TYR 8 HE2 TYR 8 4.441 6.709 6.709 54 HE2 TYR 8 HE1 TYR 8 3.399 5.563 5.563 55 HH TYR 8 HH TYR 8 5.281 4.711 4.711 56 H LYS 9 H LYS 9 -1.237 10.084 10.084 57 HA LYS 9 HA LYS 9 -3.958 9.252 9.252 58 1HB LYS 9 2HB LYS 9 -4.296 11.374 11.374 59 2HB LYS 9 1HB LYS 9 -2.648 10.980 10.980 60 1HG LYS 9 2HG LYS 9 -1.744 12.368 12.368 61 2HG LYS 9 1HG LYS 9 -3.332 12.593 12.593 62 1HD LYS 9 2HD LYS 9 -3.247 13.397 13.397 63 2HD LYS 9 1HD LYS 9 -2.097 14.289 14.289 64 1HE LYS 9 2HE LYS 9 -4.276 14.393 14.393 65 2HE LYS 9 1HE LYS 9 -5.092 14.297 14.297 66 1HZ LYS 9 1HZ LYS 9 -2.875 16.201 16.201 67 2HZ LYS 9 2HZ LYS 9 -4.280 16.598 16.598 68 H LYS 10 H LYS 10 -2.088 11.243 11.243 69 HA LYS 10 HA LYS 10 -4.257 12.052 12.052 70 1HB LYS 10 2HB LYS 10 -1.456 12.302 12.302 71 2HB LYS 10 1HB LYS 10 -1.881 11.580 11.580 72 1HG LYS 10 2HG LYS 10 -3.105 13.426 13.426 73 2HG LYS 10 1HG LYS 10 -3.634 13.831 13.831 74 1HD LYS 10 2HD LYS 10 -0.725 14.093 14.093 75 2HD LYS 10 1HD LYS 10 -1.523 15.041 15.041 76 1HE LYS 10 2HE LYS 10 -2.893 15.324 15.324 77 2HE LYS 10 1HE LYS 10 -1.197 15.746 15.746 78 1HZ LYS 10 1HZ LYS 10 -3.279 17.139 17.139 79 2HZ LYS 10 2HZ LYS 10 -1.851 17.708 17.708 80 H ASP 11 H ASP 11 -2.572 8.945 8.945 81 HA ASP 11 HA ASP 11 -4.129 8.022 8.022 82 1HB ASP 11 2HB ASP 11 -1.535 7.212 7.212 83 2HB ASP 11 1HB ASP 11 -2.512 5.907 5.907 84 HD1 ASP 11 2HD ASP 11 -2.284 7.495 7.495 85 H ASN 12 H ASN 12 -3.987 8.140 8.140 86 HA ASN 12 HA ASN 12 -4.880 7.021 7.021 87 1HB ASN 12 2HB ASN 12 -6.985 7.800 7.800 88 2HB ASN 12 1HB ASN 12 -6.963 6.586 6.586 89 1HD2 ASN 12 2HD2 ASN 12 -7.394 5.037 5.037 90 2HD2 ASN 12 1HD2 ASN 12 -6.107 6.117 6.117 91 H ILE 13 H ILE 13 -2.880 5.455 5.455 92 HA ILE 13 HA ILE 13 -3.995 2.775 2.775 93 HB ILE 13 HB ILE 13 -2.280 2.074 2.074 94 1HG1 ILE 13 2HG1 ILE 13 -1.893 4.040 4.040 95 2HG1 ILE 13 3HG1 ILE 13 -2.094 5.060 5.060 96 1HG2 ILE 13 2HG2 ILE 13 -4.922 2.802 2.802 97 2HG2 ILE 13 3HG2 ILE 13 -4.150 3.730 3.730 98 3HG2 ILE 13 1HG2 ILE 13 -3.962 1.961 1.961 99 1HD1 ILE 13 2HD1 ILE 13 -0.293 2.701 2.701 100 2HD1 ILE 13 3HD1 ILE 13 0.296 3.976 3.976 101 3HD1 ILE 13 1HD1 ILE 13 -0.116 4.370 4.370 102 H CYS 14 H CYS 14 -2.298 1.150 1.150 103 HA CYS 14 HA CYS 14 -0.250 2.501 2.501 104 1HB CYS 14 2HB CYS 14 -1.538 1.707 1.707 105 2HB CYS 14 1HB CYS 14 -2.228 0.419 0.419 106 H LYS 15 H LYS 15 1.854 1.758 1.758 107 HA LYS 15 HA LYS 15 2.131 -0.716 -0.716 108 1HB LYS 15 2HB LYS 15 4.169 0.546 0.546 109 2HB LYS 15 1HB LYS 15 2.560 0.797 0.797 110 1HG LYS 15 2HG LYS 15 3.366 3.002 3.002 111 2HG LYS 15 1HG LYS 15 2.396 2.785 2.785 112 1HD LYS 15 2HD LYS 15 4.483 3.769 3.769 113 2HD LYS 15 1HD LYS 15 4.509 2.098 2.098 114 1HE LYS 15 2HE LYS 15 5.584 2.144 2.144 115 2HE LYS 15 1HE LYS 15 6.346 3.455 3.455 116 1HZ LYS 15 1HZ LYS 15 7.009 0.803 0.803 117 2HZ LYS 15 2HZ LYS 15 7.506 1.976 1.976 118 H TYR 16 H TYR 16 4.617 -1.393 -1.393 119 HA TYR 16 HA TYR 16 6.204 -0.628 -0.628 120 1HB TYR 16 2HB TYR 16 5.637 -2.676 -2.676 121 2HB TYR 16 1HB TYR 16 4.418 -1.417 -1.417 122 HD1 TYR 16 HD2 TYR 16 5.283 -4.743 -4.743 123 HD2 TYR 16 HD1 TYR 16 2.201 -1.853 -1.853 124 HE1 TYR 16 HE2 TYR 16 3.527 -6.438 -6.438 125 HE2 TYR 16 HE1 TYR 16 0.456 -3.557 -3.557 126 HH TYR 16 HH TYR 16 0.077 -5.573 -5.573 127 H LYS 17 H LYS 17 7.426 -2.985 -2.985 128 HA LYS 17 HA LYS 17 8.315 -4.019 -4.019 129 1HB LYS 17 2HB LYS 17 9.664 -3.206 -3.206 130 2HB LYS 17 1HB LYS 17 10.146 -4.810 -4.810 131 1HG LYS 17 2HG LYS 17 11.029 -4.053 -4.053 132 2HG LYS 17 1HG LYS 17 9.970 -2.659 -2.659 133 1HD LYS 17 2HD LYS 17 12.296 -2.993 -2.993 134 2HD LYS 17 1HD LYS 17 12.346 -2.031 -2.031 135 1HE LYS 17 2HE LYS 17 10.004 -1.250 -1.250 136 2HE LYS 17 1HE LYS 17 11.379 -1.258 -1.258 137 1HZ LYS 17 1HZ LYS 17 12.571 0.100 0.100 138 2HZ LYS 17 2HZ LYS 17 11.181 0.227 0.227 139 H ALA 18 H ALA 18 7.698 -6.024 -6.024 140 HA ALA 18 HA ALA 18 6.207 -7.629 -7.629 141 1HB ALA 18 1HB ALA 18 6.600 -7.386 -7.386 142 2HB ALA 18 2HB ALA 18 7.134 -9.029 -9.029 143 3HB ALA 18 3HB ALA 18 5.490 -8.491 -8.491 144 H GLN 19 H GLN 19 6.835 -10.116 -10.116 145 HA GLN 19 HA GLN 19 9.035 -10.278 -10.278 146 1HB GLN 19 2HB GLN 19 6.957 -11.955 -11.955 147 2HB GLN 19 1HB GLN 19 8.337 -12.788 -12.788 148 1HG GLN 19 2HG GLN 19 9.492 -12.508 -12.508 149 2HG GLN 19 1HG GLN 19 7.944 -11.969 -11.969 150 1HE2 GLN 19 2HE2 GLN 19 6.276 -15.122 -15.122 151 2HE2 GLN 19 1HE2 GLN 19 6.054 -13.412 -13.412 152 H SER 20 H SER 20 8.694 -10.829 -10.829 153 HA SER 20 HA SER 20 11.084 -12.061 -12.061 154 1HB SER 20 2HB SER 20 10.780 -10.476 -10.476 155 2HB SER 20 1HB SER 20 9.979 -12.013 -12.013 156 HG SER 20 HG SER 20 8.083 -11.022 -11.022 157 H GLY 21 H GLY 21 10.294 -8.541 -8.541 158 1HA GLY 21 1HA GLY 21 12.082 -7.278 -7.278 159 2HA GLY 21 2HA GLY 21 13.199 -7.977 -7.977 160 H LYS 22 H LYS 22 10.606 -7.743 -7.743 161 HA LYS 22 HA LYS 22 11.537 -5.341 -5.341 162 1HB LYS 22 2HB LYS 22 10.756 -7.347 -7.347 163 2HB LYS 22 1HB LYS 22 9.128 -7.058 -7.058 164 1HG LYS 22 2HG LYS 22 9.724 -4.568 -4.568 165 2HG LYS 22 1HG LYS 22 10.712 -5.554 -5.554 166 1HD LYS 22 2HD LYS 22 8.692 -6.965 -6.965 167 2HD LYS 22 1HD LYS 22 7.717 -5.919 -5.919 168 1HE LYS 22 2HE LYS 22 7.733 -4.176 -4.176 169 2HE LYS 22 1HE LYS 22 9.356 -4.530 -4.530 170 1HZ LYS 22 1HZ LYS 22 7.253 -5.107 -5.107 171 2HZ LYS 22 2HZ LYS 22 8.574 -6.058 -6.058 172 H THR 23 H THR 23 8.141 -5.481 -5.481 173 HA THR 23 HA THR 23 7.482 -3.934 -3.934 174 HB THR 23 HB THR 23 7.897 -2.589 -2.589 175 HG1 THR 23 1HG THR 23 8.622 -1.996 -1.996 176 1HG2 THR 23 3HG2 THR 23 5.672 -1.941 -1.941 177 2HG2 THR 23 1HG2 THR 23 6.695 -1.320 -1.320 178 3HG2 THR 23 2HG2 THR 23 6.820 -0.616 -0.616 179 H ALA 24 H ALA 24 5.215 -3.558 -3.558 180 HA ALA 24 HA ALA 24 3.566 -4.677 -4.677 181 1HB ALA 24 1HB ALA 24 4.063 -5.900 -5.900 182 2HB ALA 24 2HB ALA 24 2.380 -5.881 -5.881 183 3HB ALA 24 3HB ALA 24 3.647 -6.671 -6.671 184 H ILE 25 H ILE 25 1.714 -3.493 -3.493 185 HA ILE 25 HA ILE 25 1.199 -1.501 -1.501 186 HB ILE 25 HB ILE 25 0.268 -1.427 -1.427 187 1HG1 ILE 25 2HG1 ILE 25 2.906 -0.603 -0.603 188 2HG1 ILE 25 3HG1 ILE 25 2.582 -1.478 -1.478 189 1HG2 ILE 25 2HG2 ILE 25 -0.956 -0.005 -0.005 190 2HG2 ILE 25 3HG2 ILE 25 0.573 0.737 0.737 191 3HG2 ILE 25 1HG2 ILE 25 0.005 0.963 0.963 192 1HD1 ILE 25 3HD1 ILE 25 1.550 0.582 0.582 193 2HD1 ILE 25 1HD1 ILE 25 1.939 1.463 1.463 194 3HD1 ILE 25 2HD1 ILE 25 3.249 0.835 0.835 195 H CYS 26 H CYS 26 -0.964 -1.151 -1.151 196 HA CYS 26 HA CYS 26 -2.910 -3.119 -3.119 197 1HB CYS 26 2HB CYS 26 -2.234 -4.374 -4.374 198 2HB CYS 26 1HB CYS 26 -1.693 -2.991 -2.991 199 H LYS 27 H LYS 27 -4.521 -1.753 -1.753 200 HA LYS 27 HA LYS 27 -4.849 0.852 0.852 201 1HB LYS 27 2HB LYS 27 -7.202 -1.047 -1.047 202 2HB LYS 27 1HB LYS 27 -7.127 0.608 0.608 203 1HG LYS 27 2HG LYS 27 -6.539 -0.215 -0.215 204 2HG LYS 27 1HG LYS 27 -4.987 -0.636 -0.636 205 1HD LYS 27 2HD LYS 27 -6.053 -2.603 -2.603 206 2HD LYS 27 1HD LYS 27 -5.820 -2.872 -2.872 207 1HE LYS 27 2HE LYS 27 -8.114 -2.696 -2.696 208 2HE LYS 27 1HE LYS 27 -8.444 -1.679 -1.679 209 1HZ LYS 27 1HZ LYS 27 -7.826 -3.772 -3.772 210 2HZ LYS 27 2HZ LYS 27 -8.040 -4.603 -4.603 211 H CYS 28 H CYS 28 -5.870 2.244 2.244 212 HA CYS 28 HA CYS 28 -6.058 1.060 1.060 213 1HB CYS 28 2HB CYS 28 -5.561 3.827 3.827 214 2HB CYS 28 1HB CYS 28 -6.223 3.621 3.621 215 H TYR 29 H TYR 29 -8.056 0.752 0.752 216 HA TYR 29 HA TYR 29 -10.388 1.514 1.514 217 1HB TYR 29 2HB TYR 29 -11.438 -0.004 -0.004 218 2HB TYR 29 1HB TYR 29 -9.842 -0.682 -0.682 219 HD1 TYR 29 HD1 TYR 29 -8.590 1.729 1.729 220 HD2 TYR 29 HD2 TYR 29 -11.585 -1.258 -1.258 221 HE1 TYR 29 HE1 TYR 29 -8.159 1.822 1.822 222 HE2 TYR 29 HE2 TYR 29 -11.143 -1.156 -1.156 223 HH TYR 29 HH TYR 29 -9.913 1.145 1.145 224 H VAL 30 H VAL 30 -11.911 1.620 1.620 225 HA VAL 30 HA VAL 30 -12.601 4.149 4.149 226 HB VAL 30 HB VAL 30 -12.029 2.279 2.279 227 1HG1 VAL 30 1HG1 VAL 30 -13.472 4.937 4.937 228 2HG1 VAL 30 2HG1 VAL 30 -13.788 3.705 3.705 229 3HG1 VAL 30 3HG1 VAL 30 -12.160 4.406 4.406 230 1HG2 VAL 30 1HG2 VAL 30 -14.188 2.550 2.550 231 2HG2 VAL 30 2HG2 VAL 30 -13.715 1.158 1.158 232 3HG2 VAL 30 3HG2 VAL 30 -14.752 2.434 2.434 233 H LYS 31 H LYS 31 -10.305 3.218 3.218 234 HA LYS 31 HA LYS 31 -9.338 5.704 5.704 235 1HB LYS 31 2HB LYS 31 -8.861 3.178 3.178 236 2HB LYS 31 1HB LYS 31 -7.315 3.571 3.571 237 1HG LYS 31 2HG LYS 31 -6.985 4.552 4.552 238 2HG LYS 31 1HG LYS 31 -7.710 5.918 5.918 239 1HD LYS 31 2HD LYS 31 -8.791 5.561 5.561 240 2HD LYS 31 1HD LYS 31 -9.943 5.315 5.315 241 1HE LYS 31 2HE LYS 31 -8.631 2.790 2.790 242 2HE LYS 31 1HE LYS 31 -9.157 3.456 3.456 243 1HZ LYS 31 1HZ LYS 31 -10.834 2.840 2.840 244 2HZ LYS 31 2HZ LYS 31 -11.016 2.303 2.303 245 H LYS 32 H LYS 32 -8.979 7.018 7.018 246 HA LYS 32 HA LYS 32 -7.360 6.099 6.099 247 1HB LYS 32 2HB LYS 32 -8.983 7.618 7.618 248 2HB LYS 32 1HB LYS 32 -8.753 8.652 8.652 249 1HG LYS 32 2HG LYS 32 -6.482 9.296 9.296 250 2HG LYS 32 1HG LYS 32 -6.771 8.307 8.307 251 1HD LYS 32 2HD LYS 32 -7.279 10.781 10.781 252 2HD LYS 32 1HD LYS 32 -8.598 9.707 9.707 253 1HE LYS 32 2HE LYS 32 -9.866 10.284 10.284 254 2HE LYS 32 1HE LYS 32 -8.459 10.756 10.756 255 1HZ LYS 32 1HZ LYS 32 -9.463 12.770 12.770 256 2HZ LYS 32 2HZ LYS 32 -8.251 12.638 12.638 257 H CYS 33 H CYS 33 -5.341 7.314 7.314 258 HA CYS 33 HA CYS 33 -3.521 7.234 7.234 259 1HB CYS 33 2HB CYS 33 -2.642 6.446 6.446 260 2HB CYS 33 1HB CYS 33 -3.313 7.758 7.758 261 HA PRO 34 HA PRO 34 -3.777 11.473 11.473 262 1HB PRO 34 2HB PRO 34 -1.503 11.753 11.753 263 2HB PRO 34 1HB PRO 34 -2.994 11.091 11.091 264 1HG PRO 34 2HG PRO 34 -0.512 9.675 9.675 265 2HG PRO 34 1HG PRO 34 -1.826 9.118 9.118 266 1HD PRO 34 2HD PRO 34 -1.322 8.363 8.363 267 2HD PRO 34 1HD PRO 34 -2.699 7.897 7.897 268 H ARG 35 H ARG 35 -0.768 10.303 10.303 269 HA ARG 35 HA ARG 35 -0.800 12.214 12.214 270 1HB ARG 35 2HB ARG 35 1.197 13.606 13.606 271 2HB ARG 35 1HB ARG 35 -0.248 13.895 13.895 272 1HG ARG 35 2HG ARG 35 0.813 11.907 11.907 273 2HG ARG 35 1HG ARG 35 2.299 12.501 12.501 274 1HD ARG 35 2HD ARG 35 1.010 14.867 14.867 275 2HD ARG 35 1HD ARG 35 0.545 13.775 13.775 276 HE ARG 35 HE ARG 35 2.799 13.637 13.637 277 1HH1 ARG 35 2HH2 ARG 35 2.594 15.345 15.345 278 2HH1 ARG 35 1HH2 ARG 35 4.232 15.903 15.903 279 HH2 ARG 35 1HH ARG 35 5.606 15.320 15.320 280 H ASP 36 H ASP 36 0.970 11.858 11.858 281 HA ASP 36 HA ASP 36 1.872 9.368 9.368 282 1HB ASP 36 2HB ASP 36 2.323 10.622 10.622 283 2HB ASP 36 1HB ASP 36 2.813 12.031 12.031 284 HD1 ASP 36 2HD ASP 36 5.919 11.719 11.719 285 H GLY 37 H GLY 37 3.454 8.098 8.098 286 1HA GLY 37 1HA GLY 37 5.603 7.811 7.811 287 2HA GLY 37 2HA GLY 37 5.590 9.468 9.468 288 H ALA 38 H ALA 38 2.575 8.928 8.928 289 HA ALA 38 HA ALA 38 2.952 8.633 8.633 290 1HB ALA 38 1HB ALA 38 0.581 7.893 7.893 291 2HB ALA 38 2HB ALA 38 0.512 8.018 8.018 292 3HB ALA 38 3HB ALA 38 0.885 9.457 9.457 293 H LYS 39 H LYS 39 3.720 6.999 6.999 294 HA LYS 39 HA LYS 39 4.243 4.469 4.469 295 1HB LYS 39 2HB LYS 39 5.549 5.520 5.520 296 2HB LYS 39 1HB LYS 39 4.181 5.364 5.364 297 1HG LYS 39 2HG LYS 39 4.278 2.798 2.798 298 2HG LYS 39 1HG LYS 39 5.926 3.188 3.188 299 1HD LYS 39 2HD LYS 39 5.011 4.127 4.127 300 2HD LYS 39 1HD LYS 39 5.231 2.400 2.400 301 1HE LYS 39 2HE LYS 39 7.548 3.109 3.109 302 2HE LYS 39 1HE LYS 39 7.289 4.610 4.610 303 1HZ LYS 39 1HZ LYS 39 6.897 3.088 3.088 304 2HZ LYS 39 2HZ LYS 39 7.592 1.903 1.903 305 H CYS 40 H CYS 40 3.275 2.412 2.412 306 HA CYS 40 HA CYS 40 0.858 2.290 2.290 307 1HB CYS 40 2HB CYS 40 -0.550 1.539 1.539 308 2HB CYS 40 1HB CYS 40 -0.214 3.257 3.257 309 H GLU 41 H GLU 41 -0.063 -0.065 -0.065 310 HA GLU 41 HA GLU 41 2.076 -1.853 -1.853 311 1HB GLU 41 2HB GLU 41 0.896 -3.109 -3.109 312 2HB GLU 41 1HB GLU 41 2.492 -2.389 -2.389 313 1HG GLU 41 2HG GLU 41 -0.030 -0.793 -0.793 314 2HG GLU 41 1HG GLU 41 0.977 -1.529 -1.529 315 HE1 GLU 41 2HE GLU 41 3.445 -0.253 -0.253 316 H PHE 42 H PHE 42 1.333 -3.426 -3.426 317 HA PHE 42 HA PHE 42 -1.532 -3.639 -3.639 318 1HB PHE 42 2HB PHE 42 -0.295 -3.518 -3.518 319 2HB PHE 42 1HB PHE 42 1.034 -4.465 -4.465 320 HD1 PHE 42 2HD PHE 42 -2.424 -4.681 -4.681 321 HD2 PHE 42 1HD PHE 42 1.098 -6.818 -6.818 322 HE1 PHE 42 2HE PHE 42 -3.344 -6.730 -6.730 323 HE2 PHE 42 1HE PHE 42 0.179 -8.867 -8.867 324 HZ PHE 42 HZ PHE 42 -2.031 -8.799 -8.799 325 H ASP 43 H ASP 43 -2.695 -5.114 -5.114 326 HA ASP 43 HA ASP 43 -1.379 -7.165 -7.165 327 1HB ASP 43 2HB ASP 43 -4.314 -6.557 -6.557 328 2HB ASP 43 1HB ASP 43 -3.816 -7.912 -7.912 329 HD2 ASP 43 2HD ASP 43 -5.113 -6.481 -6.481 330 H SER 44 H SER 44 -0.754 -9.129 -9.129 331 HA SER 44 HA SER 44 -1.722 -9.812 -9.812 332 1HB SER 44 2HB SER 44 0.585 -10.353 -10.353 333 2HB SER 44 1HB SER 44 -0.210 -11.910 -11.910 334 HG SER 44 HG SER 44 0.447 -12.041 -12.041 335 H TYR 45 H TYR 45 -3.166 -10.003 -10.003 336 HA TYR 45 HA TYR 45 -4.001 -12.729 -12.729 337 1HB TYR 45 2HB TYR 45 -5.412 -10.299 -10.299 338 2HB TYR 45 1HB TYR 45 -5.271 -11.902 -11.902 339 HD1 TYR 45 HD1 TYR 45 -2.396 -12.460 -12.460 340 HD2 TYR 45 HD2 TYR 45 -4.427 -8.811 -8.811 341 HE1 TYR 45 HE1 TYR 45 -0.396 -11.687 -11.687 342 HE2 TYR 45 HE2 TYR 45 -2.420 -8.050 -8.050 343 HH TYR 45 HH TYR 45 0.097 -8.577 -8.577 344 H LYS 46 H LYS 46 -5.474 -9.586 -9.586 345 HA LYS 46 HA LYS 46 -7.470 -11.185 -11.185 346 1HB LYS 46 2HB LYS 46 -8.132 -8.444 -8.444 347 2HB LYS 46 1HB LYS 46 -9.197 -9.781 -9.781 348 1HG LYS 46 2HG LYS 46 -7.836 -10.970 -10.970 349 2HG LYS 46 1HG LYS 46 -7.565 -9.308 -9.308 350 1HD LYS 46 2HD LYS 46 -9.580 -9.953 -9.953 351 2HD LYS 46 1HD LYS 46 -10.106 -8.950 -8.950 352 1HE LYS 46 2HE LYS 46 -11.347 -10.655 -10.655 353 2HE LYS 46 1HE LYS 46 -9.920 -11.665 -11.665 354 1HZ LYS 46 1HZ LYS 46 -10.599 -12.823 -12.823 355 2HZ LYS 46 2HZ LYS 46 -10.745 -11.491 -11.491 356 H GLY 47 H GLY 47 -5.509 -8.168 -8.168 357 1HA GLY 47 1HA GLY 47 -4.252 -7.625 -7.625 358 2HA GLY 47 2HA GLY 47 -5.672 -8.025 -8.025 359 H LYS 48 H LYS 48 -6.271 -6.444 -6.444 360 HA LYS 48 HA LYS 48 -7.434 -4.219 -4.219 361 1HB LYS 48 2HB LYS 48 -7.064 -5.053 -5.053 362 2HB LYS 48 1HB LYS 48 -7.639 -3.445 -3.445 363 1HG LYS 48 2HG LYS 48 -9.707 -4.214 -4.214 364 2HG LYS 48 1HG LYS 48 -9.045 -5.452 -5.452 365 1HD LYS 48 2HD LYS 48 -10.152 -6.699 -6.699 366 2HD LYS 48 1HD LYS 48 -8.472 -6.758 -6.758 367 1HE LYS 48 2HE LYS 48 -9.115 -5.910 -5.910 368 2HE LYS 48 1HE LYS 48 -9.433 -4.391 -4.391 369 1HZ LYS 48 1HZ LYS 48 -11.405 -6.583 -6.583 370 2HZ LYS 48 2HZ LYS 48 -11.418 -5.153 -5.153 371 H CYS 49 H CYS 49 -6.867 -1.903 -1.903 372 HA CYS 49 HA CYS 49 -3.947 -1.681 -1.681 373 1HB CYS 49 2HB CYS 49 -4.018 0.026 0.026 374 2HB CYS 49 1HB CYS 49 -5.437 -0.858 -0.858 375 H TYR 50 H TYR 50 -3.122 -0.846 -0.846 376 HA TYR 50 HA TYR 50 -4.992 0.616 0.616 377 1HB TYR 50 2HB TYR 50 -2.501 -1.138 -1.138 378 2HB TYR 50 1HB TYR 50 -2.949 -0.050 -0.050 379 HD1 TYR 50 HD2 TYR 50 -5.822 -1.253 -1.253 380 HD2 TYR 50 HD1 TYR 50 -3.002 -2.300 -2.300 381 HE1 TYR 50 HE2 TYR 50 -7.435 -2.996 -2.996 382 HE2 TYR 50 HE1 TYR 50 -4.625 -4.040 -4.040 383 HH TYR 50 HH TYR 50 -6.715 -4.747 -4.747 384 H CYS 51 H CYS 51 -4.592 2.594 2.594 385 HA CYS 51 HA CYS 51 -1.927 3.634 3.634 386 1HB CYS 51 2HB CYS 51 -4.232 5.393 5.393 387 2HB CYS 51 1HB CYS 51 -2.670 5.247 5.247 Start of MODEL 32 1 H ALA 1 H ALA 1 1.588 -11.405 -11.405 2 HA ALA 1 HA ALA 1 4.245 -11.163 -11.163 3 1HB ALA 1 3HB ALA 1 2.035 -12.908 -12.908 4 2HB ALA 1 1HB ALA 1 2.142 -11.913 -11.913 5 3HB ALA 1 2HB ALA 1 3.550 -12.858 -12.858 6 H THR 2 H THR 2 2.722 -8.830 -8.830 7 HA THR 2 HA THR 2 1.556 -7.494 -7.494 8 HB THR 2 HB THR 2 2.608 -6.089 -6.089 9 HG1 THR 2 1HG THR 2 0.290 -7.875 -7.875 10 1HG2 THR 2 3HG2 THR 2 0.966 -5.160 -5.160 11 2HG2 THR 2 1HG2 THR 2 -0.245 -6.133 -6.133 12 3HG2 THR 2 2HG2 THR 2 0.620 -4.827 -4.827 13 H TYR 3 H TYR 3 2.365 -5.907 -5.907 14 HA TYR 3 HA TYR 3 5.300 -5.728 -5.728 15 1HB TYR 3 2HB TYR 3 3.174 -5.340 -5.340 16 2HB TYR 3 1HB TYR 3 4.903 -5.271 -5.271 17 HD1 TYR 3 HD2 TYR 3 2.111 -7.537 -7.537 18 HD2 TYR 3 HD1 TYR 3 6.185 -7.256 -7.256 19 HE1 TYR 3 HE2 TYR 3 2.146 -10.036 -10.036 20 HE2 TYR 3 HE1 TYR 3 6.206 -9.756 -9.756 21 HH TYR 3 HH TYR 3 3.565 -11.541 -11.541 22 H ASN 4 H ASN 4 6.097 -3.805 -3.805 23 HA ASN 4 HA ASN 4 4.346 -1.585 -1.585 24 1HB ASN 4 2HB ASN 4 7.346 -1.316 -1.316 25 2HB ASN 4 1HB ASN 4 6.079 -0.581 -0.581 26 1HD2 ASN 4 2HD2 ASN 4 5.342 -3.980 -3.980 27 2HD2 ASN 4 1HD2 ASN 4 4.514 -2.939 -2.939 28 H GLY 5 H GLY 5 4.464 0.380 0.380 29 1HA GLY 5 1HA GLY 5 6.528 0.810 0.810 30 2HA GLY 5 2HA GLY 5 5.052 0.221 0.221 31 H LYS 6 H LYS 6 4.816 2.301 2.301 32 HA LYS 6 HA LYS 6 3.706 4.324 4.324 33 1HB LYS 6 2HB LYS 6 5.347 4.983 4.983 34 2HB LYS 6 1HB LYS 6 4.742 6.089 6.089 35 1HG LYS 6 2HG LYS 6 6.208 5.127 5.127 36 2HG LYS 6 1HG LYS 6 6.688 3.826 3.826 37 1HD LYS 6 2HD LYS 6 7.859 5.362 5.362 38 2HD LYS 6 1HD LYS 6 7.184 6.760 6.760 39 1HE LYS 6 2HE LYS 6 8.830 6.740 6.740 40 2HE LYS 6 1HE LYS 6 8.540 5.052 5.052 41 1HZ LYS 6 1HZ LYS 6 10.539 6.193 6.193 42 2HZ LYS 6 2HZ LYS 6 10.550 4.758 4.758 43 H CYS 7 H CYS 7 2.249 5.903 5.903 44 HA CYS 7 HA CYS 7 0.960 4.460 4.460 45 1HB CYS 7 2HB CYS 7 -1.216 5.504 5.504 46 2HB CYS 7 1HB CYS 7 -0.612 3.936 3.936 47 H TYR 8 H TYR 8 -0.706 6.138 6.138 48 HA TYR 8 HA TYR 8 0.410 8.842 8.842 49 1HB TYR 8 2HB TYR 8 -0.163 7.095 7.095 50 2HB TYR 8 1HB TYR 8 0.357 8.767 8.767 51 HD1 TYR 8 HD2 TYR 8 1.467 5.502 5.502 52 HD2 TYR 8 HD1 TYR 8 2.615 9.201 9.201 53 HE1 TYR 8 HE2 TYR 8 3.897 4.754 4.754 54 HE2 TYR 8 HE1 TYR 8 5.041 8.440 8.440 55 HH TYR 8 HH TYR 8 6.444 6.907 6.907 56 H LYS 9 H LYS 9 -1.115 10.458 10.458 57 HA LYS 9 HA LYS 9 -3.793 9.802 9.802 58 1HB LYS 9 2HB LYS 9 -2.155 12.205 12.205 59 2HB LYS 9 1HB LYS 9 -3.732 12.421 12.421 60 1HG LYS 9 2HG LYS 9 -4.795 11.522 11.522 61 2HG LYS 9 1HG LYS 9 -3.204 11.411 11.411 62 1HD LYS 9 2HD LYS 9 -2.990 13.712 13.712 63 2HD LYS 9 1HD LYS 9 -3.916 14.063 14.063 64 1HE LYS 9 2HE LYS 9 -5.615 12.745 12.745 65 2HE LYS 9 1HE LYS 9 -4.833 14.142 14.142 66 1HZ LYS 9 1HZ LYS 9 -7.027 14.440 14.440 67 2HZ LYS 9 2HZ LYS 9 -5.856 15.561 15.561 68 H LYS 10 H LYS 10 -2.432 11.570 11.570 69 HA LYS 10 HA LYS 10 -4.512 11.354 11.354 70 1HB LYS 10 2HB LYS 10 -2.069 12.308 12.308 71 2HB LYS 10 1HB LYS 10 -1.776 10.785 10.785 72 1HG LYS 10 2HG LYS 10 -4.157 11.493 11.493 73 2HG LYS 10 1HG LYS 10 -3.502 13.083 13.083 74 1HD LYS 10 2HD LYS 10 -1.816 10.941 10.941 75 2HD LYS 10 1HD LYS 10 -2.897 11.962 11.962 76 1HE LYS 10 2HE LYS 10 -0.830 13.134 13.134 77 2HE LYS 10 1HE LYS 10 -0.438 12.756 12.756 78 1HZ LYS 10 1HZ LYS 10 -1.156 15.021 15.021 79 2HZ LYS 10 2HZ LYS 10 -2.376 14.209 14.209 80 H ASP 11 H ASP 11 -1.805 8.972 8.972 81 HA ASP 11 HA ASP 11 -3.239 7.180 7.180 82 1HB ASP 11 2HB ASP 11 -0.878 6.966 6.966 83 2HB ASP 11 1HB ASP 11 -1.578 5.480 5.480 84 HD1 ASP 11 2HD ASP 11 -0.600 7.818 7.818 85 H ASN 12 H ASN 12 -3.414 7.989 7.989 86 HA ASN 12 HA ASN 12 -4.348 7.063 7.063 87 1HB ASN 12 2HB ASN 12 -6.390 7.865 7.865 88 2HB ASN 12 1HB ASN 12 -6.388 6.630 6.630 89 1HD2 ASN 12 2HD2 ASN 12 -7.591 5.760 5.760 90 2HD2 ASN 12 1HD2 ASN 12 -6.517 7.072 7.072 91 H ILE 13 H ILE 13 -2.479 5.300 5.300 92 HA ILE 13 HA ILE 13 -3.800 2.708 2.708 93 HB ILE 13 HB ILE 13 -1.897 1.768 1.768 94 1HG1 ILE 13 2HG1 ILE 13 -1.181 3.584 3.584 95 2HG1 ILE 13 3HG1 ILE 13 -1.479 4.703 4.703 96 1HG2 ILE 13 3HG2 ILE 13 -4.432 2.740 2.740 97 2HG2 ILE 13 1HG2 ILE 13 -3.350 3.288 3.288 98 3HG2 ILE 13 2HG2 ILE 13 -3.445 1.558 1.558 99 1HD1 ILE 13 1HD1 ILE 13 0.076 2.287 2.287 100 2HD1 ILE 13 2HD1 ILE 13 0.891 3.366 3.366 101 3HD1 ILE 13 3HD1 ILE 13 0.346 3.997 3.997 102 H CYS 14 H CYS 14 -1.657 1.073 1.073 103 HA CYS 14 HA CYS 14 -0.121 2.426 2.426 104 1HB CYS 14 2HB CYS 14 -1.767 1.483 1.483 105 2HB CYS 14 1HB CYS 14 -1.922 0.054 0.054 106 H LYS 15 H LYS 15 1.948 2.222 2.222 107 HA LYS 15 HA LYS 15 2.603 -0.148 -0.148 108 1HB LYS 15 2HB LYS 15 3.879 2.540 2.540 109 2HB LYS 15 1HB LYS 15 4.839 1.208 1.208 110 1HG LYS 15 2HG LYS 15 2.999 0.860 0.860 111 2HG LYS 15 1HG LYS 15 2.317 2.385 2.385 112 1HD LYS 15 2HD LYS 15 4.867 3.215 3.215 113 2HD LYS 15 1HD LYS 15 4.903 1.860 1.860 114 1HE LYS 15 2HE LYS 15 2.877 2.772 2.772 115 2HE LYS 15 1HE LYS 15 2.859 4.133 4.133 116 1HZ LYS 15 1HZ LYS 15 5.435 3.811 3.811 117 2HZ LYS 15 2HZ LYS 15 4.294 3.981 3.981 118 H TYR 16 H TYR 16 3.776 -1.855 -1.855 119 HA TYR 16 HA TYR 16 5.379 -1.501 -1.501 120 1HB TYR 16 2HB TYR 16 4.146 -3.409 -3.409 121 2HB TYR 16 1HB TYR 16 3.037 -2.093 -2.093 122 HD1 TYR 16 HD1 TYR 16 1.877 -2.250 -2.250 123 HD2 TYR 16 HD2 TYR 16 3.476 -5.556 -5.556 124 HE1 TYR 16 HE1 TYR 16 0.388 -3.846 -3.846 125 HE2 TYR 16 HE2 TYR 16 1.981 -7.141 -7.141 126 HH TYR 16 HH TYR 16 -0.353 -5.884 -5.884 127 H LYS 17 H LYS 17 6.693 -3.509 -3.509 128 HA LYS 17 HA LYS 17 7.782 -4.458 -4.458 129 1HB LYS 17 2HB LYS 17 8.327 -4.962 -4.962 130 2HB LYS 17 1HB LYS 17 9.126 -5.909 -5.909 131 1HG LYS 17 2HG LYS 17 9.121 -2.942 -2.942 132 2HG LYS 17 1HG LYS 17 10.082 -3.519 -3.519 133 1HD LYS 17 2HD LYS 17 11.227 -5.146 -5.146 134 2HD LYS 17 1HD LYS 17 10.310 -4.479 -4.479 135 1HE LYS 17 2HE LYS 17 11.318 -2.238 -2.238 136 2HE LYS 17 1HE LYS 17 12.193 -2.859 -2.859 137 1HZ LYS 17 1HZ LYS 17 13.644 -2.906 -2.906 138 2HZ LYS 17 2HZ LYS 17 13.283 -4.459 -4.459 139 H ALA 18 H ALA 18 7.931 -6.706 -6.706 140 HA ALA 18 HA ALA 18 5.553 -8.221 -8.221 141 1HB ALA 18 1HB ALA 18 5.567 -7.318 -7.318 142 2HB ALA 18 2HB ALA 18 7.019 -8.296 -8.296 143 3HB ALA 18 3HB ALA 18 5.481 -9.094 -9.094 144 H GLN 19 H GLN 19 7.937 -8.318 -8.318 145 HA GLN 19 HA GLN 19 9.227 -9.791 -9.791 146 1HB GLN 19 2HB GLN 19 7.660 -11.523 -11.523 147 2HB GLN 19 1HB GLN 19 7.541 -11.629 -11.629 148 1HG GLN 19 2HG GLN 19 10.219 -12.278 -12.278 149 2HG GLN 19 1HG GLN 19 8.931 -13.423 -13.423 150 1HE2 GLN 19 2HE2 GLN 19 8.292 -13.973 -13.973 151 2HE2 GLN 19 1HE2 GLN 19 7.419 -13.457 -13.457 152 H SER 20 H SER 20 9.021 -10.714 -10.714 153 HA SER 20 HA SER 20 11.786 -11.273 -11.273 154 1HB SER 20 2HB SER 20 9.483 -11.626 -11.626 155 2HB SER 20 1HB SER 20 10.722 -10.822 -10.822 156 HG SER 20 HG SER 20 10.969 -13.114 -13.114 157 H GLY 21 H GLY 21 10.135 -8.387 -8.387 158 1HA GLY 21 1HA GLY 21 11.108 -6.297 -6.297 159 2HA GLY 21 2HA GLY 21 12.391 -6.879 -6.879 160 H LYS 22 H LYS 22 9.878 -8.238 -8.238 161 HA LYS 22 HA LYS 22 9.885 -6.708 -6.708 162 1HB LYS 22 2HB LYS 22 7.952 -8.614 -8.614 163 2HB LYS 22 1HB LYS 22 7.337 -7.608 -7.608 164 1HG LYS 22 2HG LYS 22 10.030 -8.801 -8.801 165 2HG LYS 22 1HG LYS 22 8.718 -9.956 -9.956 166 1HD LYS 22 2HD LYS 22 7.972 -7.610 -7.610 167 2HD LYS 22 1HD LYS 22 9.398 -8.408 -8.408 168 1HE LYS 22 2HE LYS 22 7.391 -9.409 -9.409 169 2HE LYS 22 1HE LYS 22 8.184 -10.596 -10.596 170 1HZ LYS 22 1HZ LYS 22 5.815 -8.979 -8.979 171 2HZ LYS 22 2HZ LYS 22 5.827 -10.580 -10.580 172 H THR 23 H THR 23 8.290 -6.008 -6.008 173 HA THR 23 HA THR 23 6.929 -4.343 -4.343 174 HB THR 23 HB THR 23 9.297 -3.254 -3.254 175 HG1 THR 23 1HG THR 23 9.099 -2.044 -2.044 176 1HG2 THR 23 1HG2 THR 23 6.815 -1.574 -1.574 177 2HG2 THR 23 2HG2 THR 23 8.452 -0.876 -0.876 178 3HG2 THR 23 3HG2 THR 23 7.769 -1.604 -1.604 179 H ALA 24 H ALA 24 4.864 -4.696 -4.696 180 HA ALA 24 HA ALA 24 4.204 -3.686 -3.686 181 1HB ALA 24 1HB ALA 24 3.764 -6.171 -6.171 182 2HB ALA 24 2HB ALA 24 2.258 -5.354 -5.354 183 3HB ALA 24 3HB ALA 24 2.728 -5.412 -5.412 184 H ILE 25 H ILE 25 1.595 -3.106 -3.106 185 HA ILE 25 HA ILE 25 1.474 -1.093 -1.093 186 HB ILE 25 HB ILE 25 -0.057 -1.025 -1.025 187 1HG1 ILE 25 2HG1 ILE 25 2.716 0.098 0.098 188 2HG1 ILE 25 3HG1 ILE 25 2.326 -1.240 -1.240 189 1HG2 ILE 25 2HG2 ILE 25 -0.281 0.480 0.480 190 2HG2 ILE 25 3HG2 ILE 25 0.834 1.461 1.461 191 3HG2 ILE 25 1HG2 ILE 25 -0.758 1.002 1.002 192 1HD1 ILE 25 2HD1 ILE 25 0.824 0.287 0.287 193 2HD1 ILE 25 3HD1 ILE 25 1.346 1.636 1.636 194 3HD1 ILE 25 1HD1 ILE 25 2.527 0.805 0.805 195 H CYS 26 H CYS 26 -0.513 -0.791 -0.791 196 HA CYS 26 HA CYS 26 -2.451 -2.938 -2.938 197 1HB CYS 26 2HB CYS 26 -1.484 -3.879 -3.879 198 2HB CYS 26 1HB CYS 26 -0.863 -2.359 -2.359 199 H LYS 27 H LYS 27 -4.145 -1.690 -1.690 200 HA LYS 27 HA LYS 27 -4.626 0.922 0.922 201 1HB LYS 27 2HB LYS 27 -7.149 0.135 0.135 202 2HB LYS 27 1HB LYS 27 -6.079 -0.058 -0.058 203 1HG LYS 27 2HG LYS 27 -5.842 -2.374 -2.374 204 2HG LYS 27 1HG LYS 27 -6.173 -2.281 -2.281 205 1HD LYS 27 2HD LYS 27 -8.374 -2.698 -2.698 206 2HD LYS 27 1HD LYS 27 -8.504 -1.323 -1.323 207 1HE LYS 27 2HE LYS 27 -7.929 -2.634 -2.634 208 2HE LYS 27 1HE LYS 27 -7.295 -3.946 -3.946 209 1HZ LYS 27 1HZ LYS 27 -10.001 -3.470 -3.470 210 2HZ LYS 27 2HZ LYS 27 -9.342 -4.833 -4.833 211 H CYS 28 H CYS 28 -5.754 2.312 2.312 212 HA CYS 28 HA CYS 28 -5.475 1.497 1.497 213 1HB CYS 28 2HB CYS 28 -6.134 4.041 4.041 214 2HB CYS 28 1HB CYS 28 -6.576 3.890 3.890 215 H TYR 29 H TYR 29 -7.567 2.520 2.520 216 HA TYR 29 HA TYR 29 -10.113 2.223 2.223 217 1HB TYR 29 2HB TYR 29 -9.456 -0.159 -0.159 218 2HB TYR 29 1HB TYR 29 -8.773 -0.214 -0.214 219 HD1 TYR 29 HD2 TYR 29 -12.096 0.977 0.977 220 HD2 TYR 29 HD1 TYR 29 -9.991 -1.705 -1.705 221 HE1 TYR 29 HE2 TYR 29 -14.305 0.109 0.109 222 HE2 TYR 29 HE1 TYR 29 -12.207 -2.564 -2.564 223 HH TYR 29 HH TYR 29 -14.371 -2.201 -2.201 224 H VAL 30 H VAL 30 -11.797 2.349 2.349 225 HA VAL 30 HA VAL 30 -12.620 3.041 3.041 226 HB VAL 30 HB VAL 30 -10.054 2.093 2.093 227 1HG1 VAL 30 3HG1 VAL 30 -12.772 2.852 2.852 228 2HG1 VAL 30 1HG1 VAL 30 -11.933 1.504 1.504 229 3HG1 VAL 30 2HG1 VAL 30 -11.170 3.111 3.111 230 1HG2 VAL 30 3HG2 VAL 30 -12.115 0.578 0.578 231 2HG2 VAL 30 1HG2 VAL 30 -10.541 0.046 0.046 232 3HG2 VAL 30 2HG2 VAL 30 -11.966 0.085 0.085 233 H LYS 31 H LYS 31 -9.102 3.666 3.666 234 HA LYS 31 HA LYS 31 -9.802 6.519 6.519 235 1HB LYS 31 2HB LYS 31 -8.244 4.793 4.793 236 2HB LYS 31 1HB LYS 31 -7.523 6.349 6.349 237 1HG LYS 31 2HG LYS 31 -10.448 6.463 6.463 238 2HG LYS 31 1HG LYS 31 -9.490 5.913 5.913 239 1HD LYS 31 2HD LYS 31 -7.938 7.991 7.991 240 2HD LYS 31 1HD LYS 31 -9.385 8.571 8.571 241 1HE LYS 31 2HE LYS 31 -10.644 8.609 8.609 242 2HE LYS 31 1HE LYS 31 -9.480 7.600 7.600 243 1HZ LYS 31 1HZ LYS 31 -9.415 10.442 10.442 244 2HZ LYS 31 2HZ LYS 31 -8.618 9.549 9.549 245 H LYS 32 H LYS 32 -9.394 6.938 6.938 246 HA LYS 32 HA LYS 32 -7.413 5.992 5.992 247 1HB LYS 32 2HB LYS 32 -7.488 8.446 8.446 248 2HB LYS 32 1HB LYS 32 -8.844 7.349 7.349 249 1HG LYS 32 2HG LYS 32 -8.888 8.871 8.871 250 2HG LYS 32 1HG LYS 32 -8.947 9.901 9.901 251 1HD LYS 32 2HD LYS 32 -10.765 7.474 7.474 252 2HD LYS 32 1HD LYS 32 -11.209 9.044 9.044 253 1HE LYS 32 2HE LYS 32 -10.359 9.602 9.602 254 2HE LYS 32 1HE LYS 32 -11.238 8.094 8.094 255 1HZ LYS 32 1HZ LYS 32 -13.186 9.111 9.111 256 2HZ LYS 32 2HZ LYS 32 -12.524 10.101 10.101 257 H CYS 33 H CYS 33 -5.337 7.092 7.092 258 HA CYS 33 HA CYS 33 -3.563 7.176 7.176 259 1HB CYS 33 2HB CYS 33 -2.837 6.621 6.621 260 2HB CYS 33 1HB CYS 33 -3.326 8.184 8.184 261 HA PRO 34 HA PRO 34 -4.170 11.282 11.282 262 1HB PRO 34 2HB PRO 34 -2.042 11.501 11.501 263 2HB PRO 34 1HB PRO 34 -3.552 10.732 10.732 264 1HG PRO 34 2HG PRO 34 -0.959 9.477 9.477 265 2HG PRO 34 1HG PRO 34 -2.329 8.785 8.785 266 1HD PRO 34 2HD PRO 34 -1.569 8.300 8.300 267 2HD PRO 34 1HD PRO 34 -3.002 7.700 7.700 268 H ARG 35 H ARG 35 -1.080 10.311 10.311 269 HA ARG 35 HA ARG 35 -1.001 12.372 12.372 270 1HB ARG 35 2HB ARG 35 0.924 13.742 13.742 271 2HB ARG 35 1HB ARG 35 -0.681 14.019 14.019 272 1HG ARG 35 2HG ARG 35 0.184 11.917 11.917 273 2HG ARG 35 1HG ARG 35 1.690 12.763 12.763 274 1HD ARG 35 2HD ARG 35 0.131 14.912 14.912 275 2HD ARG 35 1HD ARG 35 -0.759 13.699 13.699 276 HE ARG 35 HE ARG 35 1.990 14.632 14.632 277 1HH1 ARG 35 2HH2 ARG 35 -0.518 12.233 12.233 278 2HH1 ARG 35 1HH2 ARG 35 0.191 11.756 11.756 279 HH2 ARG 35 1HH ARG 35 2.215 12.810 12.810 280 H ASP 36 H ASP 36 0.864 12.159 12.159 281 HA ASP 36 HA ASP 36 1.942 9.782 9.782 282 1HB ASP 36 2HB ASP 36 2.517 11.259 11.259 283 2HB ASP 36 1HB ASP 36 2.902 12.559 12.559 284 HD1 ASP 36 2HD ASP 36 5.919 12.293 12.293 285 H GLY 37 H GLY 37 3.620 8.519 8.519 286 1HA GLY 37 1HA GLY 37 5.601 8.200 8.200 287 2HA GLY 37 2HA GLY 37 5.463 9.797 9.797 288 H ALA 38 H ALA 38 2.492 9.331 9.331 289 HA ALA 38 HA ALA 38 2.581 8.746 8.746 290 1HB ALA 38 3HB ALA 38 0.451 8.095 8.095 291 2HB ALA 38 1HB ALA 38 0.180 7.951 7.951 292 3HB ALA 38 2HB ALA 38 0.565 9.536 9.536 293 H LYS 39 H LYS 39 3.238 7.055 7.055 294 HA LYS 39 HA LYS 39 3.972 4.617 4.617 295 1HB LYS 39 2HB LYS 39 5.164 5.597 5.597 296 2HB LYS 39 1HB LYS 39 3.752 5.364 5.364 297 1HG LYS 39 2HG LYS 39 3.933 2.837 2.837 298 2HG LYS 39 1HG LYS 39 5.586 3.274 3.274 299 1HD LYS 39 2HD LYS 39 5.683 2.440 2.440 300 2HD LYS 39 1HD LYS 39 5.777 4.182 4.182 301 1HE LYS 39 2HE LYS 39 3.576 4.365 4.365 302 2HE LYS 39 1HE LYS 39 3.048 2.882 2.882 303 1HZ LYS 39 1HZ LYS 39 5.143 2.462 2.462 304 2HZ LYS 39 2HZ LYS 39 3.792 3.084 3.084 305 H CYS 40 H CYS 40 3.052 2.513 2.513 306 HA CYS 40 HA CYS 40 0.550 2.267 2.267 307 1HB CYS 40 2HB CYS 40 -0.374 3.261 3.261 308 2HB CYS 40 1HB CYS 40 0.635 2.312 2.312 309 H GLU 41 H GLU 41 -0.210 -0.092 -0.092 310 HA GLU 41 HA GLU 41 2.023 -1.798 -1.798 311 1HB GLU 41 2HB GLU 41 0.904 -3.191 -3.191 312 2HB GLU 41 1HB GLU 41 2.325 -2.174 -2.174 313 1HG GLU 41 2HG GLU 41 -0.501 -1.085 -1.085 314 2HG GLU 41 1HG GLU 41 0.435 -1.725 -1.725 315 HE1 GLU 41 2HE GLU 41 2.968 -0.088 -0.088 316 H PHE 42 H PHE 42 1.459 -3.585 -3.585 317 HA PHE 42 HA PHE 42 -1.369 -3.820 -3.820 318 1HB PHE 42 2HB PHE 42 0.211 -3.667 -3.667 319 2HB PHE 42 1HB PHE 42 1.296 -4.828 -4.828 320 HD1 PHE 42 2HD PHE 42 -2.164 -4.577 -4.577 321 HD2 PHE 42 1HD PHE 42 1.222 -7.041 -7.041 322 HE1 PHE 42 2HE PHE 42 -3.241 -6.422 -6.422 323 HE2 PHE 42 1HE PHE 42 0.145 -8.887 -8.887 324 HZ PHE 42 HZ PHE 42 -2.074 -8.555 -8.555 325 H ASP 43 H ASP 43 -2.488 -5.127 -5.127 326 HA ASP 43 HA ASP 43 -1.262 -7.164 -7.164 327 1HB ASP 43 2HB ASP 43 -3.429 -7.620 -7.620 328 2HB ASP 43 1HB ASP 43 -3.487 -5.913 -5.913 329 HD2 ASP 43 2HD ASP 43 -5.599 -5.596 -5.596 330 H SER 44 H SER 44 -0.644 -9.193 -9.193 331 HA SER 44 HA SER 44 -1.494 -9.975 -9.975 332 1HB SER 44 2HB SER 44 0.363 -11.297 -11.297 333 2HB SER 44 1HB SER 44 0.799 -10.367 -10.367 334 HG SER 44 HG SER 44 0.755 -12.857 -12.857 335 H TYR 45 H TYR 45 -3.068 -10.026 -10.026 336 HA TYR 45 HA TYR 45 -3.903 -12.747 -12.747 337 1HB TYR 45 2HB TYR 45 -5.363 -10.245 -10.245 338 2HB TYR 45 1HB TYR 45 -5.289 -11.812 -11.812 339 HD1 TYR 45 HD1 TYR 45 -2.260 -12.228 -12.228 340 HD2 TYR 45 HD2 TYR 45 -4.605 -8.878 -8.878 341 HE1 TYR 45 HE1 TYR 45 -0.332 -11.411 -11.411 342 HE2 TYR 45 HE2 TYR 45 -2.669 -8.072 -8.072 343 HH TYR 45 HH TYR 45 -0.134 -9.990 -9.990 344 H LYS 46 H LYS 46 -5.143 -9.731 -9.731 345 HA LYS 46 HA LYS 46 -7.142 -11.401 -11.401 346 1HB LYS 46 2HB LYS 46 -7.601 -8.655 -8.655 347 2HB LYS 46 1HB LYS 46 -8.728 -9.485 -9.485 348 1HG LYS 46 2HG LYS 46 -8.294 -11.470 -11.470 349 2HG LYS 46 1HG LYS 46 -7.996 -10.079 -10.079 350 1HD LYS 46 2HD LYS 46 -10.197 -9.178 -9.178 351 2HD LYS 46 1HD LYS 46 -10.479 -10.250 -10.250 352 1HE LYS 46 2HE LYS 46 -11.268 -11.893 -11.893 353 2HE LYS 46 1HE LYS 46 -9.846 -11.817 -11.817 354 1HZ LYS 46 1HZ LYS 46 -11.774 -9.639 -9.639 355 2HZ LYS 46 2HZ LYS 46 -12.225 -11.089 -11.089 356 H GLY 47 H GLY 47 -5.351 -8.249 -8.249 357 1HA GLY 47 1HA GLY 47 -3.893 -7.883 -7.883 358 2HA GLY 47 2HA GLY 47 -5.193 -8.463 -8.463 359 H LYS 48 H LYS 48 -5.620 -6.372 -6.372 360 HA LYS 48 HA LYS 48 -6.839 -4.388 -4.388 361 1HB LYS 48 2HB LYS 48 -6.968 -4.901 -4.901 362 2HB LYS 48 1HB LYS 48 -7.610 -3.444 -3.444 363 1HG LYS 48 2HG LYS 48 -8.835 -5.137 -5.137 364 2HG LYS 48 1HG LYS 48 -8.520 -6.309 -6.309 365 1HD LYS 48 2HD LYS 48 -9.663 -3.695 -3.695 366 2HD LYS 48 1HD LYS 48 -10.731 -4.693 -4.693 367 1HE LYS 48 2HE LYS 48 -9.241 -5.673 -5.673 368 2HE LYS 48 1HE LYS 48 -10.910 -5.138 -5.138 369 1HZ LYS 48 1HZ LYS 48 -9.785 -7.583 -7.583 370 2HZ LYS 48 2HZ LYS 48 -11.202 -7.372 -7.372 371 H CYS 49 H CYS 49 -6.502 -2.046 -2.046 372 HA CYS 49 HA CYS 49 -3.595 -1.773 -1.773 373 1HB CYS 49 2HB CYS 49 -3.771 -0.783 -0.783 374 2HB CYS 49 1HB CYS 49 -5.468 -0.394 -0.394 375 H TYR 50 H TYR 50 -3.367 -1.414 -1.414 376 HA TYR 50 HA TYR 50 -5.404 0.050 0.050 377 1HB TYR 50 2HB TYR 50 -2.823 -1.489 -1.489 378 2HB TYR 50 1HB TYR 50 -3.331 -0.377 -0.377 379 HD1 TYR 50 HD2 TYR 50 -6.270 -0.694 -0.694 380 HD2 TYR 50 HD1 TYR 50 -3.182 -3.631 -3.631 381 HE1 TYR 50 HE2 TYR 50 -7.833 -2.469 -2.469 382 HE2 TYR 50 HE1 TYR 50 -4.756 -5.396 -5.396 383 HH TYR 50 HH TYR 50 -7.766 -4.547 -4.547 384 H CYS 51 H CYS 51 -4.398 1.737 1.737 385 HA CYS 51 HA CYS 51 -2.164 3.187 3.187 386 1HB CYS 51 2HB CYS 51 -4.691 4.449 4.449 387 2HB CYS 51 1HB CYS 51 -3.030 4.902 4.902 Start of MODEL 33 1 H ALA 1 H ALA 1 3.888 -11.412 -11.412 2 HA ALA 1 HA ALA 1 5.559 -10.688 -10.688 3 1HB ALA 1 1HB ALA 1 3.409 -12.521 -12.521 4 2HB ALA 1 2HB ALA 1 3.155 -11.759 -11.759 5 3HB ALA 1 3HB ALA 1 4.687 -12.593 -12.593 6 H THR 2 H THR 2 3.663 -8.473 -8.473 7 HA THR 2 HA THR 2 2.242 -7.477 -7.477 8 HB THR 2 HB THR 2 2.979 -5.697 -5.697 9 HG1 THR 2 1HG THR 2 2.295 -7.221 -7.221 10 1HG2 THR 2 2HG2 THR 2 0.924 -5.742 -5.742 11 2HG2 THR 2 3HG2 THR 2 0.173 -6.583 -6.583 12 3HG2 THR 2 1HG2 THR 2 0.816 -4.936 -4.936 13 H TYR 3 H TYR 3 2.991 -6.413 -6.413 14 HA TYR 3 HA TYR 3 5.758 -5.555 -5.555 15 1HB TYR 3 2HB TYR 3 3.612 -5.299 -5.299 16 2HB TYR 3 1HB TYR 3 5.344 -5.403 -5.403 17 HD1 TYR 3 HD1 TYR 3 6.028 -7.729 -7.729 18 HD2 TYR 3 HD2 TYR 3 2.757 -7.132 -7.132 19 HE1 TYR 3 HE1 TYR 3 5.826 -10.242 -10.242 20 HE2 TYR 3 HE2 TYR 3 2.566 -9.647 -9.647 21 HH TYR 3 HH TYR 3 3.833 -11.817 -11.817 22 H ASN 4 H ASN 4 6.336 -3.528 -3.528 23 HA ASN 4 HA ASN 4 4.284 -1.529 -1.529 24 1HB ASN 4 2HB ASN 4 7.219 -1.608 -1.608 25 2HB ASN 4 1HB ASN 4 6.281 -0.129 -0.129 26 1HD2 ASN 4 2HD2 ASN 4 4.694 -3.266 -3.266 27 2HD2 ASN 4 1HD2 ASN 4 5.115 -3.423 -3.423 28 H GLY 5 H GLY 5 4.801 0.724 0.724 29 1HA GLY 5 1HA GLY 5 6.840 1.075 1.075 30 2HA GLY 5 2HA GLY 5 5.358 0.597 0.597 31 H LYS 6 H LYS 6 4.596 2.476 2.476 32 HA LYS 6 HA LYS 6 3.695 4.520 4.520 33 1HB LYS 6 2HB LYS 6 5.706 5.192 5.192 34 2HB LYS 6 1HB LYS 6 4.819 6.356 6.356 35 1HG LYS 6 2HG LYS 6 5.822 5.312 5.312 36 2HG LYS 6 1HG LYS 6 6.792 4.278 4.278 37 1HD LYS 6 2HD LYS 6 7.730 6.379 6.379 38 2HD LYS 6 1HD LYS 6 6.871 7.329 7.329 39 1HE LYS 6 2HE LYS 6 8.213 6.549 6.549 40 2HE LYS 6 1HE LYS 6 8.691 5.095 5.095 41 1HZ LYS 6 1HZ LYS 6 10.142 7.411 7.411 42 2HZ LYS 6 2HZ LYS 6 10.420 6.186 6.186 43 H CYS 7 H CYS 7 2.007 5.814 5.814 44 HA CYS 7 HA CYS 7 1.116 4.813 4.813 45 1HB CYS 7 2HB CYS 7 -0.343 3.831 3.831 46 2HB CYS 7 1HB CYS 7 -0.474 5.306 5.306 47 H TYR 8 H TYR 8 -0.131 6.444 6.444 48 HA TYR 8 HA TYR 8 0.555 9.183 9.183 49 1HB TYR 8 2HB TYR 8 0.112 7.980 7.980 50 2HB TYR 8 1HB TYR 8 0.766 9.570 9.570 51 HD1 TYR 8 HD1 TYR 8 2.506 8.329 8.329 52 HD2 TYR 8 HD2 TYR 8 2.070 7.491 7.491 53 HE1 TYR 8 HE1 TYR 8 4.860 7.371 7.371 54 HE2 TYR 8 HE2 TYR 8 4.426 6.535 6.535 55 HH TYR 8 HH TYR 8 6.658 7.147 7.147 56 H LYS 9 H LYS 9 -1.145 10.514 10.514 57 HA LYS 9 HA LYS 9 -3.741 9.728 9.728 58 1HB LYS 9 2HB LYS 9 -4.242 12.222 12.222 59 2HB LYS 9 1HB LYS 9 -3.182 11.664 11.664 60 1HG LYS 9 2HG LYS 9 -1.713 13.252 13.252 61 2HG LYS 9 1HG LYS 9 -1.382 12.194 12.194 62 1HD LYS 9 2HD LYS 9 -1.939 14.285 14.285 63 2HD LYS 9 1HD LYS 9 -3.384 13.313 13.313 64 1HE LYS 9 2HE LYS 9 -4.523 14.438 14.438 65 2HE LYS 9 1HE LYS 9 -3.039 15.122 15.122 66 1HZ LYS 9 1HZ LYS 9 -4.672 16.469 16.469 67 2HZ LYS 9 2HZ LYS 9 -3.076 16.781 16.781 68 H LYS 10 H LYS 10 -2.171 11.783 11.783 69 HA LYS 10 HA LYS 10 -4.236 11.892 11.892 70 1HB LYS 10 2HB LYS 10 -1.894 12.945 12.945 71 2HB LYS 10 1HB LYS 10 -1.382 11.473 11.473 72 1HG LYS 10 2HG LYS 10 -2.143 12.339 12.339 73 2HG LYS 10 1HG LYS 10 -3.774 12.185 12.185 74 1HD LYS 10 2HD LYS 10 -2.732 14.529 14.529 75 2HD LYS 10 1HD LYS 10 -2.189 14.605 14.605 76 1HE LYS 10 2HE LYS 10 -4.752 13.861 13.861 77 2HE LYS 10 1HE LYS 10 -4.996 14.633 14.633 78 1HZ LYS 10 1HZ LYS 10 -5.140 16.448 16.448 79 2HZ LYS 10 2HZ LYS 10 -3.527 16.494 16.494 80 H ASP 11 H ASP 11 -1.541 9.521 9.521 81 HA ASP 11 HA ASP 11 -3.074 7.949 7.949 82 1HB ASP 11 2HB ASP 11 -0.690 7.139 7.139 83 2HB ASP 11 1HB ASP 11 -1.279 6.239 6.239 84 HD2 ASP 11 2HD ASP 11 0.976 6.656 6.656 85 H ASN 12 H ASN 12 -3.162 8.399 8.399 86 HA ASN 12 HA ASN 12 -3.799 7.148 7.148 87 1HB ASN 12 2HB ASN 12 -5.895 8.042 8.042 88 2HB ASN 12 1HB ASN 12 -6.151 6.360 6.360 89 1HD2 ASN 12 2HD2 ASN 12 -8.142 6.123 6.123 90 2HD2 ASN 12 1HD2 ASN 12 -8.031 6.144 6.144 91 H ILE 13 H ILE 13 -1.938 5.513 5.513 92 HA ILE 13 HA ILE 13 -3.211 2.892 2.892 93 HB ILE 13 HB ILE 13 -1.356 2.247 2.247 94 1HG1 ILE 13 2HG1 ILE 13 -0.624 4.055 4.055 95 2HG1 ILE 13 3HG1 ILE 13 -1.378 5.243 5.243 96 1HG2 ILE 13 2HG2 ILE 13 -3.937 3.604 3.604 97 2HG2 ILE 13 3HG2 ILE 13 -2.849 3.476 3.476 98 3HG2 ILE 13 1HG2 ILE 13 -3.350 2.009 2.009 99 1HD1 ILE 13 1HD1 ILE 13 0.465 3.346 3.346 100 2HD1 ILE 13 2HD1 ILE 13 1.233 4.464 4.464 101 3HD1 ILE 13 3HD1 ILE 13 0.277 5.104 5.104 102 H CYS 14 H CYS 14 -2.027 1.240 1.240 103 HA CYS 14 HA CYS 14 -0.203 2.281 2.281 104 1HB CYS 14 2HB CYS 14 -1.898 -0.053 -0.053 105 2HB CYS 14 1HB CYS 14 -0.290 -0.511 -0.511 106 H LYS 15 H LYS 15 1.733 2.846 2.846 107 HA LYS 15 HA LYS 15 2.910 0.884 0.884 108 1HB LYS 15 2HB LYS 15 2.789 3.410 3.410 109 2HB LYS 15 1HB LYS 15 4.049 3.574 3.574 110 1HG LYS 15 2HG LYS 15 4.380 1.591 1.591 111 2HG LYS 15 1HG LYS 15 4.712 3.291 3.291 112 1HD LYS 15 2HD LYS 15 6.002 2.643 2.643 113 2HD LYS 15 1HD LYS 15 6.337 1.298 1.298 114 1HE LYS 15 2HE LYS 15 6.764 3.397 3.397 115 2HE LYS 15 1HE LYS 15 7.211 4.152 4.152 116 1HZ LYS 15 1HZ LYS 15 8.391 1.704 1.704 117 2HZ LYS 15 2HZ LYS 15 9.155 3.095 3.095 118 H TYR 16 H TYR 16 3.931 -0.805 -0.805 119 HA TYR 16 HA TYR 16 6.022 -0.201 -0.201 120 1HB TYR 16 2HB TYR 16 5.039 -1.827 -1.827 121 2HB TYR 16 1HB TYR 16 3.905 -0.522 -0.522 122 HD1 TYR 16 HD1 TYR 16 1.847 -0.906 -0.906 123 HD2 TYR 16 HD2 TYR 16 4.574 -4.095 -4.095 124 HE1 TYR 16 HE1 TYR 16 0.067 -2.605 -2.605 125 HE2 TYR 16 HE2 TYR 16 2.785 -5.783 -5.783 126 HH TYR 16 HH TYR 16 -0.218 -4.762 -4.762 127 H LYS 17 H LYS 17 6.940 -2.567 -2.567 128 HA LYS 17 HA LYS 17 7.708 -3.764 -3.764 129 1HB LYS 17 2HB LYS 17 8.430 -4.448 -4.448 130 2HB LYS 17 1HB LYS 17 9.177 -5.140 -5.140 131 1HG LYS 17 2HG LYS 17 9.171 -2.245 -2.245 132 2HG LYS 17 1HG LYS 17 9.837 -2.678 -2.678 133 1HD LYS 17 2HD LYS 17 11.786 -2.944 -2.944 134 2HD LYS 17 1HD LYS 17 11.122 -4.522 -4.522 135 1HE LYS 17 2HE LYS 17 10.091 -3.569 -3.569 136 2HE LYS 17 1HE LYS 17 10.820 -2.018 -2.018 137 1HZ LYS 17 1HZ LYS 17 12.024 -4.068 -4.068 138 2HZ LYS 17 2HZ LYS 17 12.781 -2.745 -2.745 139 H ALA 18 H ALA 18 7.780 -6.344 -6.344 140 HA ALA 18 HA ALA 18 5.317 -7.320 -7.320 141 1HB ALA 18 3HB ALA 18 6.007 -7.356 -7.356 142 2HB ALA 18 1HB ALA 18 5.077 -8.706 -8.706 143 3HB ALA 18 2HB ALA 18 4.444 -7.045 -7.045 144 H GLN 19 H GLN 19 7.911 -7.560 -7.560 145 HA GLN 19 HA GLN 19 9.237 -9.062 -9.062 146 1HB GLN 19 2HB GLN 19 7.573 -10.588 -10.588 147 2HB GLN 19 1HB GLN 19 7.070 -10.856 -10.856 148 1HG GLN 19 2HG GLN 19 8.917 -12.302 -12.302 149 2HG GLN 19 1HG GLN 19 9.828 -11.732 -11.732 150 1HE2 GLN 19 2HE2 GLN 19 7.984 -15.109 -15.109 151 2HE2 GLN 19 1HE2 GLN 19 8.766 -14.407 -14.407 152 H SER 20 H SER 20 8.214 -10.344 -10.344 153 HA SER 20 HA SER 20 11.038 -10.731 -10.731 154 1HB SER 20 2HB SER 20 9.738 -11.883 -11.883 155 2HB SER 20 1HB SER 20 10.186 -12.740 -12.740 156 HG SER 20 HG SER 20 7.637 -11.435 -11.435 157 H GLY 21 H GLY 21 9.143 -8.191 -8.191 158 1HA GLY 21 1HA GLY 21 9.053 -6.325 -6.325 159 2HA GLY 21 2HA GLY 21 10.422 -6.930 -6.930 160 H LYS 22 H LYS 22 7.833 -9.207 -9.207 161 HA LYS 22 HA LYS 22 7.462 -9.082 -9.082 162 1HB LYS 22 2HB LYS 22 7.051 -11.040 -11.040 163 2HB LYS 22 1HB LYS 22 5.574 -10.262 -10.262 164 1HG LYS 22 2HG LYS 22 5.308 -10.093 -10.093 165 2HG LYS 22 1HG LYS 22 6.178 -11.605 -11.605 166 1HD LYS 22 2HD LYS 22 4.470 -12.493 -12.493 167 2HD LYS 22 1HD LYS 22 3.650 -10.945 -10.945 168 1HE LYS 22 2HE LYS 22 2.378 -11.685 -11.685 169 2HE LYS 22 1HE LYS 22 3.792 -11.481 -11.481 170 1HZ LYS 22 1HZ LYS 22 4.423 -13.794 -13.794 171 2HZ LYS 22 2HZ LYS 22 3.064 -13.976 -13.976 172 H THR 23 H THR 23 4.802 -8.470 -8.470 173 HA THR 23 HA THR 23 3.247 -7.010 -7.010 174 HB THR 23 HB THR 23 3.279 -7.818 -7.818 175 HG1 THR 23 1HG THR 23 1.445 -8.276 -8.276 176 1HG2 THR 23 1HG2 THR 23 3.654 -5.197 -5.197 177 2HG2 THR 23 2HG2 THR 23 1.979 -5.099 -5.099 178 3HG2 THR 23 3HG2 THR 23 2.337 -5.960 -5.960 179 H ALA 24 H ALA 24 2.542 -4.598 -4.598 180 HA ALA 24 HA ALA 24 4.353 -2.771 -2.771 181 1HB ALA 24 1HB ALA 24 5.014 -3.803 -3.803 182 2HB ALA 24 2HB ALA 24 4.956 -2.029 -2.029 183 3HB ALA 24 3HB ALA 24 6.040 -2.964 -2.964 184 H ILE 25 H ILE 25 2.907 -1.205 -1.205 185 HA ILE 25 HA ILE 25 1.326 0.323 0.323 186 HB ILE 25 HB ILE 25 1.290 -0.356 -0.356 187 1HG1 ILE 25 2HG1 ILE 25 2.884 1.902 1.902 188 2HG1 ILE 25 3HG1 ILE 25 3.561 0.286 0.286 189 1HG2 ILE 25 3HG2 ILE 25 -0.635 0.959 0.959 190 2HG2 ILE 25 1HG2 ILE 25 0.499 2.190 2.190 191 3HG2 ILE 25 2HG2 ILE 25 0.390 1.863 1.863 192 1HD1 ILE 25 2HD1 ILE 25 2.853 0.257 0.257 193 2HD1 ILE 25 3HD1 ILE 25 2.727 2.023 2.023 194 3HD1 ILE 25 1HD1 ILE 25 4.283 1.207 1.207 195 H CYS 26 H CYS 26 -0.877 0.303 0.303 196 HA CYS 26 HA CYS 26 -2.515 -1.727 -1.727 197 1HB CYS 26 2HB CYS 26 -1.468 -3.066 -3.066 198 2HB CYS 26 1HB CYS 26 -1.850 -1.869 -1.869 199 H LYS 27 H LYS 27 -4.253 -0.441 -0.441 200 HA LYS 27 HA LYS 27 -4.806 2.031 2.031 201 1HB LYS 27 2HB LYS 27 -7.002 -0.012 -0.012 202 2HB LYS 27 1HB LYS 27 -7.046 1.702 1.702 203 1HG LYS 27 2HG LYS 27 -4.904 1.026 1.026 204 2HG LYS 27 1HG LYS 27 -5.714 -0.528 -0.528 205 1HD LYS 27 2HD LYS 27 -6.958 0.300 0.300 206 2HD LYS 27 1HD LYS 27 -7.837 1.185 1.185 207 1HE LYS 27 2HE LYS 27 -6.591 3.189 3.189 208 2HE LYS 27 1HE LYS 27 -5.290 2.343 2.343 209 1HZ LYS 27 1HZ LYS 27 -7.931 2.148 2.148 210 2HZ LYS 27 2HZ LYS 27 -7.193 3.596 3.596 211 H CYS 28 H CYS 28 -5.856 3.130 3.130 212 HA CYS 28 HA CYS 28 -5.892 1.640 1.640 213 1HB CYS 28 2HB CYS 28 -5.524 4.415 4.415 214 2HB CYS 28 1HB CYS 28 -6.669 4.267 4.267 215 H TYR 29 H TYR 29 -7.783 0.317 0.317 216 HA TYR 29 HA TYR 29 -10.229 1.217 1.217 217 1HB TYR 29 2HB TYR 29 -10.947 -0.916 -0.916 218 2HB TYR 29 1HB TYR 29 -9.239 -1.157 -1.157 219 HD1 TYR 29 HD2 TYR 29 -11.679 -0.321 -0.321 220 HD2 TYR 29 HD1 TYR 29 -7.760 -1.755 -1.755 221 HE1 TYR 29 HE2 TYR 29 -11.325 -0.978 -0.978 222 HE2 TYR 29 HE1 TYR 29 -7.419 -2.407 -2.407 223 HH TYR 29 HH TYR 29 -10.006 -2.484 -2.484 224 H VAL 30 H VAL 30 -11.893 2.395 2.395 225 HA VAL 30 HA VAL 30 -13.025 3.670 3.670 226 HB VAL 30 HB VAL 30 -12.065 1.479 1.479 227 1HG1 VAL 30 1HG1 VAL 30 -13.307 4.067 4.067 228 2HG1 VAL 30 2HG1 VAL 30 -13.938 2.585 2.585 229 3HG1 VAL 30 3HG1 VAL 30 -12.210 2.988 2.988 230 1HG2 VAL 30 1HG2 VAL 30 -13.971 1.374 1.374 231 2HG2 VAL 30 2HG2 VAL 30 -14.195 0.608 0.608 232 3HG2 VAL 30 3HG2 VAL 30 -14.929 2.194 2.194 233 H LYS 31 H LYS 31 -10.493 2.862 2.862 234 HA LYS 31 HA LYS 31 -10.092 5.362 5.362 235 1HB LYS 31 2HB LYS 31 -8.794 2.832 2.832 236 2HB LYS 31 1HB LYS 31 -7.548 4.036 4.036 237 1HG LYS 31 2HG LYS 31 -7.952 5.108 5.108 238 2HG LYS 31 1HG LYS 31 -9.677 4.808 4.808 239 1HD LYS 31 2HD LYS 31 -9.497 2.878 2.878 240 2HD LYS 31 1HD LYS 31 -8.145 2.304 2.304 241 1HE LYS 31 2HE LYS 31 -6.625 2.995 2.995 242 2HE LYS 31 1HE LYS 31 -7.351 4.586 4.586 243 1HZ LYS 31 1HZ LYS 31 -7.500 3.250 3.250 244 2HZ LYS 31 2HZ LYS 31 -8.961 3.737 3.737 245 H LYS 32 H LYS 32 -8.134 6.844 6.844 246 HA LYS 32 HA LYS 32 -7.227 6.890 6.890 247 1HB LYS 32 2HB LYS 32 -9.345 8.301 8.301 248 2HB LYS 32 1HB LYS 32 -8.363 9.370 9.370 249 1HG LYS 32 2HG LYS 32 -7.037 10.056 10.056 250 2HG LYS 32 1HG LYS 32 -7.286 8.567 8.567 251 1HD LYS 32 2HD LYS 32 -8.500 10.491 10.491 252 2HD LYS 32 1HD LYS 32 -9.593 9.209 9.209 253 1HE LYS 32 2HE LYS 32 -10.226 10.424 10.424 254 2HE LYS 32 1HE LYS 32 -8.994 11.638 11.638 255 1HZ LYS 32 1HZ LYS 32 -11.101 12.468 12.468 256 2HZ LYS 32 2HZ LYS 32 -10.187 12.196 12.196 257 H CYS 33 H CYS 33 -5.224 8.046 8.046 258 HA CYS 33 HA CYS 33 -3.611 7.919 7.919 259 1HB CYS 33 2HB CYS 33 -3.094 7.432 7.432 260 2HB CYS 33 1HB CYS 33 -2.566 9.102 9.102 261 HA PRO 34 HA PRO 34 -4.046 12.155 12.155 262 1HB PRO 34 2HB PRO 34 -1.971 12.458 12.458 263 2HB PRO 34 1HB PRO 34 -3.521 11.781 11.781 264 1HG PRO 34 2HG PRO 34 -0.953 10.389 10.389 265 2HG PRO 34 1HG PRO 34 -2.374 9.820 9.820 266 1HD PRO 34 2HD PRO 34 -1.539 9.068 9.068 267 2HD PRO 34 1HD PRO 34 -3.019 8.590 8.590 268 H ARG 35 H ARG 35 -0.782 11.097 11.097 269 HA ARG 35 HA ARG 35 -0.640 13.057 13.057 270 1HB ARG 35 2HB ARG 35 1.238 14.398 14.398 271 2HB ARG 35 1HB ARG 35 -0.204 14.556 14.556 272 1HG ARG 35 2HG ARG 35 1.303 12.269 12.269 273 2HG ARG 35 1HG ARG 35 2.395 13.632 13.632 274 1HD ARG 35 2HD ARG 35 0.549 15.004 15.004 275 2HD ARG 35 1HD ARG 35 -0.163 13.453 13.453 276 HE ARG 35 HE ARG 35 1.676 12.962 12.962 277 1HH1 ARG 35 2HH2 ARG 35 2.245 15.975 15.975 278 2HH1 ARG 35 1HH2 ARG 35 3.590 16.446 16.446 279 HH2 ARG 35 1HH ARG 35 4.282 15.025 15.025 280 H ASP 36 H ASP 36 1.132 12.608 12.608 281 HA ASP 36 HA ASP 36 1.983 10.156 10.156 282 1HB ASP 36 2HB ASP 36 3.143 11.140 11.140 283 2HB ASP 36 1HB ASP 36 2.754 12.696 12.696 284 HD2 ASP 36 2HD ASP 36 5.714 13.438 13.438 285 H GLY 37 H GLY 37 3.672 8.769 8.769 286 1HA GLY 37 1HA GLY 37 5.636 8.317 8.317 287 2HA GLY 37 2HA GLY 37 5.521 9.858 9.858 288 H ALA 38 H ALA 38 2.517 9.390 9.390 289 HA ALA 38 HA ALA 38 2.516 8.645 8.645 290 1HB ALA 38 1HB ALA 38 0.610 8.984 8.984 291 2HB ALA 38 2HB ALA 38 0.203 7.457 7.457 292 3HB ALA 38 3HB ALA 38 0.317 8.966 8.966 293 H LYS 39 H LYS 39 3.343 6.929 6.929 294 HA LYS 39 HA LYS 39 4.121 4.582 4.582 295 1HB LYS 39 2HB LYS 39 5.172 5.401 5.401 296 2HB LYS 39 1HB LYS 39 3.684 5.177 5.177 297 1HG LYS 39 2HG LYS 39 4.647 2.768 2.768 298 2HG LYS 39 1HG LYS 39 5.677 3.291 3.291 299 1HD LYS 39 2HD LYS 39 3.128 3.469 3.469 300 2HD LYS 39 1HD LYS 39 2.980 2.065 2.065 301 1HE LYS 39 2HE LYS 39 4.111 0.821 0.821 302 2HE LYS 39 1HE LYS 39 5.521 1.840 1.840 303 1HZ LYS 39 1HZ LYS 39 3.860 3.330 3.330 304 2HZ LYS 39 2HZ LYS 39 3.655 1.821 1.821 305 H CYS 40 H CYS 40 3.260 2.429 2.429 306 HA CYS 40 HA CYS 40 0.628 2.081 2.081 307 1HB CYS 40 2HB CYS 40 0.131 1.131 1.131 308 2HB CYS 40 1HB CYS 40 -0.500 2.613 2.613 309 H GLU 41 H GLU 41 0.008 -0.276 -0.276 310 HA GLU 41 HA GLU 41 2.311 -1.937 -1.937 311 1HB GLU 41 2HB GLU 41 1.578 -3.360 -3.360 312 2HB GLU 41 1HB GLU 41 2.455 -1.875 -1.875 313 1HG GLU 41 2HG GLU 41 0.682 -0.924 -0.924 314 2HG GLU 41 1HG GLU 41 -0.442 -1.394 -1.394 315 HE1 GLU 41 2HE GLU 41 -0.123 -3.517 -3.517 316 H PHE 42 H PHE 42 1.774 -4.156 -4.156 317 HA PHE 42 HA PHE 42 -1.044 -4.400 -4.400 318 1HB PHE 42 2HB PHE 42 0.526 -4.107 -4.107 319 2HB PHE 42 1HB PHE 42 1.612 -5.313 -5.313 320 HD1 PHE 42 2HD PHE 42 -1.562 -4.777 -4.777 321 HD2 PHE 42 1HD PHE 42 1.158 -7.673 -7.673 322 HE1 PHE 42 2HE PHE 42 -2.712 -6.552 -6.552 323 HE2 PHE 42 1HE PHE 42 0.007 -9.448 -9.448 324 HZ PHE 42 HZ PHE 42 -1.914 -8.867 -8.867 325 H ASP 43 H ASP 43 -2.018 -5.811 -5.811 326 HA ASP 43 HA ASP 43 -0.565 -7.727 -7.727 327 1HB ASP 43 2HB ASP 43 -2.965 -6.612 -6.612 328 2HB ASP 43 1HB ASP 43 -3.531 -8.000 -8.000 329 HD2 ASP 43 2HD ASP 43 -4.176 -9.411 -9.411 330 H SER 44 H SER 44 0.102 -9.765 -9.765 331 HA SER 44 HA SER 44 -0.904 -10.640 -10.640 332 1HB SER 44 2HB SER 44 1.077 -11.799 -11.799 333 2HB SER 44 1HB SER 44 1.613 -10.594 -10.594 334 HG SER 44 HG SER 44 1.000 -12.205 -12.205 335 H TYR 45 H TYR 45 -2.372 -10.747 -10.747 336 HA TYR 45 HA TYR 45 -2.773 -13.654 -13.654 337 1HB TYR 45 2HB TYR 45 -3.942 -11.638 -11.638 338 2HB TYR 45 1HB TYR 45 -3.292 -13.227 -13.227 339 HD1 TYR 45 HD1 TYR 45 -0.595 -12.806 -12.806 340 HD2 TYR 45 HD2 TYR 45 -2.777 -10.427 -10.427 341 HE1 TYR 45 HE1 TYR 45 1.573 -11.741 -11.741 342 HE2 TYR 45 HE2 TYR 45 -0.602 -9.369 -9.369 343 HH TYR 45 HH TYR 45 1.537 -9.069 -9.069 344 H LYS 46 H LYS 46 -4.156 -10.645 -10.645 345 HA LYS 46 HA LYS 46 -6.743 -12.006 -12.006 346 1HB LYS 46 2HB LYS 46 -6.378 -9.032 -9.032 347 2HB LYS 46 1HB LYS 46 -7.884 -9.925 -9.925 348 1HG LYS 46 2HG LYS 46 -6.569 -11.316 -11.316 349 2HG LYS 46 1HG LYS 46 -5.898 -9.715 -9.715 350 1HD LYS 46 2HD LYS 46 -8.789 -9.559 -9.559 351 2HD LYS 46 1HD LYS 46 -8.430 -10.657 -10.657 352 1HE LYS 46 2HE LYS 46 -6.736 -8.640 -8.640 353 2HE LYS 46 1HE LYS 46 -7.924 -7.700 -7.700 354 1HZ LYS 46 1HZ LYS 46 -8.190 -8.476 -8.476 355 2HZ LYS 46 2HZ LYS 46 -9.431 -8.000 -8.000 356 H GLY 47 H GLY 47 -4.700 -9.268 -9.268 357 1HA GLY 47 1HA GLY 47 -3.926 -9.447 -9.447 358 2HA GLY 47 2HA GLY 47 -5.488 -10.113 -10.113 359 H LYS 48 H LYS 48 -5.181 -7.465 -7.465 360 HA LYS 48 HA LYS 48 -6.435 -5.703 -5.703 361 1HB LYS 48 2HB LYS 48 -6.793 -6.000 -6.000 362 2HB LYS 48 1HB LYS 48 -7.185 -4.490 -4.490 363 1HG LYS 48 2HG LYS 48 -8.383 -6.347 -6.347 364 2HG LYS 48 1HG LYS 48 -8.584 -7.107 -7.107 365 1HD LYS 48 2HD LYS 48 -9.349 -4.208 -4.208 366 2HD LYS 48 1HD LYS 48 -10.478 -5.545 -5.545 367 1HE LYS 48 2HE LYS 48 -9.143 -4.347 -4.347 368 2HE LYS 48 1HE LYS 48 -10.827 -4.772 -4.772 369 1HZ LYS 48 1HZ LYS 48 -8.855 -6.351 -6.351 370 2HZ LYS 48 2HZ LYS 48 -10.403 -6.772 -6.772 371 H CYS 49 H CYS 49 -5.980 -3.263 -3.263 372 HA CYS 49 HA CYS 49 -3.116 -3.084 -3.084 373 1HB CYS 49 2HB CYS 49 -2.920 -1.285 -1.285 374 2HB CYS 49 1HB CYS 49 -3.566 -2.708 -2.708 375 H TYR 50 H TYR 50 -3.208 -2.431 -2.431 376 HA TYR 50 HA TYR 50 -5.235 -0.663 -0.663 377 1HB TYR 50 2HB TYR 50 -2.590 -1.879 -1.879 378 2HB TYR 50 1HB TYR 50 -3.399 -0.692 -0.692 379 HD1 TYR 50 HD2 TYR 50 -4.058 -3.935 -3.935 380 HD2 TYR 50 HD1 TYR 50 -4.993 -1.397 -1.397 381 HE1 TYR 50 HE2 TYR 50 -5.518 -5.762 -5.762 382 HE2 TYR 50 HE1 TYR 50 -6.450 -3.234 -3.234 383 HH TYR 50 HH TYR 50 -7.345 -5.183 -5.183 384 H CYS 51 H CYS 51 -5.027 1.178 1.178 385 HA CYS 51 HA CYS 51 -2.559 2.607 2.607 386 1HB CYS 51 2HB CYS 51 -5.093 3.904 3.904 387 2HB CYS 51 1HB CYS 51 -3.496 3.951 3.951 Start of MODEL 34 1 H ALA 1 H ALA 1 3.628 -11.895 -11.895 2 HA ALA 1 HA ALA 1 5.317 -11.065 -11.065 3 1HB ALA 1 1HB ALA 1 3.781 -13.174 -13.174 4 2HB ALA 1 2HB ALA 1 2.592 -12.210 -12.210 5 3HB ALA 1 3HB ALA 1 4.169 -12.597 -12.597 6 H THR 2 H THR 2 4.149 -8.702 -8.702 7 HA THR 2 HA THR 2 2.462 -7.653 -7.653 8 HB THR 2 HB THR 2 3.105 -6.116 -6.116 9 HG1 THR 2 1HG THR 2 2.018 -7.660 -7.660 10 1HG2 THR 2 3HG2 THR 2 1.143 -5.986 -5.986 11 2HG2 THR 2 1HG2 THR 2 0.298 -6.709 -6.709 12 3HG2 THR 2 2HG2 THR 2 1.097 -5.126 -5.126 13 H TYR 3 H TYR 3 3.255 -6.395 -6.395 14 HA TYR 3 HA TYR 3 6.020 -5.530 -5.530 15 1HB TYR 3 2HB TYR 3 4.136 -5.094 -5.094 16 2HB TYR 3 1HB TYR 3 5.859 -5.410 -5.410 17 HD1 TYR 3 HD1 TYR 3 5.553 -7.816 -7.816 18 HD2 TYR 3 HD2 TYR 3 3.699 -6.804 -6.804 19 HE1 TYR 3 HE1 TYR 3 5.087 -10.275 -10.275 20 HE2 TYR 3 HE2 TYR 3 3.238 -9.267 -9.267 21 HH TYR 3 HH TYR 3 3.213 -11.272 -11.272 22 H ASN 4 H ASN 4 6.584 -3.473 -3.473 23 HA ASN 4 HA ASN 4 4.456 -1.561 -1.561 24 1HB ASN 4 2HB ASN 4 7.422 -1.489 -1.489 25 2HB ASN 4 1HB ASN 4 6.360 -0.113 -0.113 26 1HD2 ASN 4 2HD2 ASN 4 5.083 -3.492 -3.492 27 2HD2 ASN 4 1HD2 ASN 4 5.396 -3.482 -3.482 28 H GLY 5 H GLY 5 4.983 0.780 0.780 29 1HA GLY 5 1HA GLY 5 6.926 1.307 1.307 30 2HA GLY 5 2HA GLY 5 5.517 0.705 0.705 31 H LYS 6 H LYS 6 4.771 2.602 2.602 32 HA LYS 6 HA LYS 6 3.655 4.541 4.541 33 1HB LYS 6 2HB LYS 6 5.271 5.496 5.496 34 2HB LYS 6 1HB LYS 6 4.637 6.432 6.432 35 1HG LYS 6 2HG LYS 6 6.184 5.372 5.372 36 2HG LYS 6 1HG LYS 6 6.705 4.217 4.217 37 1HD LYS 6 2HD LYS 6 7.356 6.389 6.389 38 2HD LYS 6 1HD LYS 6 7.313 7.179 7.179 39 1HE LYS 6 2HE LYS 6 8.784 4.949 4.949 40 2HE LYS 6 1HE LYS 6 9.238 5.140 5.140 41 1HZ LYS 6 1HZ LYS 6 10.236 7.160 7.160 42 2HZ LYS 6 2HZ LYS 6 9.270 7.539 7.539 43 H CYS 7 H CYS 7 2.008 5.948 5.948 44 HA CYS 7 HA CYS 7 0.993 4.676 4.676 45 1HB CYS 7 2HB CYS 7 -1.331 5.289 5.289 46 2HB CYS 7 1HB CYS 7 -0.552 3.736 3.736 47 H TYR 8 H TYR 8 -0.350 6.181 6.181 48 HA TYR 8 HA TYR 8 0.275 8.985 8.985 49 1HB TYR 8 2HB TYR 8 -0.195 7.431 7.431 50 2HB TYR 8 1HB TYR 8 0.082 9.160 9.160 51 HD1 TYR 8 HD2 TYR 8 2.143 8.310 8.310 52 HD2 TYR 8 HD1 TYR 8 1.797 7.605 7.605 53 HE1 TYR 8 HE2 TYR 8 4.649 7.912 7.912 54 HE2 TYR 8 HE1 TYR 8 4.305 7.209 7.209 55 HH TYR 8 HH TYR 8 6.399 8.196 8.196 56 H LYS 9 H LYS 9 -1.332 10.604 10.604 57 HA LYS 9 HA LYS 9 -4.018 9.515 9.515 58 1HB LYS 9 2HB LYS 9 -4.648 11.788 11.788 59 2HB LYS 9 1HB LYS 9 -3.317 11.215 11.215 60 1HG LYS 9 2HG LYS 9 -2.488 13.309 13.309 61 2HG LYS 9 1HG LYS 9 -1.824 12.371 12.371 62 1HD LYS 9 2HD LYS 9 -2.820 14.052 14.052 63 2HD LYS 9 1HD LYS 9 -4.188 12.961 12.961 64 1HE LYS 9 2HE LYS 9 -5.384 14.384 14.384 65 2HE LYS 9 1HE LYS 9 -4.001 14.745 14.745 66 1HZ LYS 9 1HZ LYS 9 -4.610 16.724 16.724 67 2HZ LYS 9 2HZ LYS 9 -3.198 16.221 16.221 68 H LYS 10 H LYS 10 -2.070 11.733 11.733 69 HA LYS 10 HA LYS 10 -4.081 12.348 12.348 70 1HB LYS 10 2HB LYS 10 -1.305 12.807 12.807 71 2HB LYS 10 1HB LYS 10 -1.519 12.128 12.128 72 1HG LYS 10 2HG LYS 10 -3.640 13.888 13.888 73 2HG LYS 10 1HG LYS 10 -2.482 14.729 14.729 74 1HD LYS 10 2HD LYS 10 -1.018 13.749 13.749 75 2HD LYS 10 1HD LYS 10 -2.498 14.439 14.439 76 1HE LYS 10 2HE LYS 10 -2.032 16.594 16.594 77 2HE LYS 10 1HE LYS 10 -0.927 15.977 15.977 78 1HZ LYS 10 1HZ LYS 10 -0.268 15.652 15.652 79 2HZ LYS 10 2HZ LYS 10 0.042 17.069 17.069 80 H ASP 11 H ASP 11 -2.279 9.369 9.369 81 HA ASP 11 HA ASP 11 -3.454 8.346 8.346 82 1HB ASP 11 2HB ASP 11 -0.821 8.108 8.108 83 2HB ASP 11 1HB ASP 11 -1.550 6.515 6.515 84 HD2 ASP 11 2HD ASP 11 0.414 7.952 7.952 85 H ASN 12 H ASN 12 -3.588 8.412 8.412 86 HA ASN 12 HA ASN 12 -4.439 7.137 7.137 87 1HB ASN 12 2HB ASN 12 -6.433 7.830 7.830 88 2HB ASN 12 1HB ASN 12 -6.491 6.115 6.115 89 1HD2 ASN 12 2HD2 ASN 12 -8.746 5.794 5.794 90 2HD2 ASN 12 1HD2 ASN 12 -8.439 5.734 5.734 91 H ILE 13 H ILE 13 -2.331 5.717 5.717 92 HA ILE 13 HA ILE 13 -3.320 2.986 2.986 93 HB ILE 13 HB ILE 13 -1.371 2.477 2.477 94 1HG1 ILE 13 2HG1 ILE 13 -0.465 4.588 4.588 95 2HG1 ILE 13 3HG1 ILE 13 -0.967 5.453 5.453 96 1HG2 ILE 13 1HG2 ILE 13 -3.835 3.668 3.668 97 2HG2 ILE 13 2HG2 ILE 13 -2.611 4.389 4.389 98 3HG2 ILE 13 3HG2 ILE 13 -2.804 2.621 2.621 99 1HD1 ILE 13 2HD1 ILE 13 0.433 3.026 3.026 100 2HD1 ILE 13 3HD1 ILE 13 1.424 3.960 3.960 101 3HD1 ILE 13 1HD1 ILE 13 0.848 4.720 4.720 102 H CYS 14 H CYS 14 -1.150 1.497 1.497 103 HA CYS 14 HA CYS 14 0.199 2.683 2.683 104 1HB CYS 14 2HB CYS 14 -1.481 1.456 1.456 105 2HB CYS 14 1HB CYS 14 -1.380 0.125 0.125 106 H LYS 15 H LYS 15 2.285 2.769 2.769 107 HA LYS 15 HA LYS 15 3.198 0.509 0.509 108 1HB LYS 15 2HB LYS 15 4.946 1.956 1.956 109 2HB LYS 15 1HB LYS 15 3.424 2.814 2.814 110 1HG LYS 15 2HG LYS 15 3.905 3.933 3.933 111 2HG LYS 15 1HG LYS 15 5.463 3.131 3.131 112 1HD LYS 15 2HD LYS 15 4.497 5.161 5.161 113 2HD LYS 15 1HD LYS 15 5.774 5.386 5.386 114 1HE LYS 15 2HE LYS 15 6.709 3.143 3.143 115 2HE LYS 15 1HE LYS 15 5.821 3.881 3.881 116 1HZ LYS 15 1HZ LYS 15 7.547 5.657 5.657 117 2HZ LYS 15 2HZ LYS 15 8.302 4.584 4.584 118 H TYR 16 H TYR 16 4.590 -0.999 -0.999 119 HA TYR 16 HA TYR 16 6.323 -0.340 -0.340 120 1HB TYR 16 2HB TYR 16 5.297 -2.350 -2.350 121 2HB TYR 16 1HB TYR 16 4.277 -0.926 -0.926 122 HD1 TYR 16 HD1 TYR 16 2.640 -0.868 -0.868 123 HD2 TYR 16 HD2 TYR 16 4.321 -4.401 -4.401 124 HE1 TYR 16 HE1 TYR 16 0.770 -2.263 -2.263 125 HE2 TYR 16 HE2 TYR 16 2.446 -5.783 -5.783 126 HH TYR 16 HH TYR 16 -0.324 -4.313 -4.313 127 H LYS 17 H LYS 17 7.516 -2.516 -2.516 128 HA LYS 17 HA LYS 17 8.172 -3.851 -3.851 129 1HB LYS 17 2HB LYS 17 9.783 -2.549 -2.549 130 2HB LYS 17 1HB LYS 17 10.047 -4.251 -4.251 131 1HG LYS 17 2HG LYS 17 10.111 -3.142 -3.142 132 2HG LYS 17 1HG LYS 17 11.533 -3.111 -3.111 133 1HD LYS 17 2HD LYS 17 11.777 -5.435 -5.435 134 2HD LYS 17 1HD LYS 17 10.061 -5.727 -5.727 135 1HE LYS 17 2HE LYS 17 10.201 -5.698 -5.698 136 2HE LYS 17 1HE LYS 17 11.235 -4.283 -4.283 137 1HZ LYS 17 1HZ LYS 17 11.994 -7.049 -7.049 138 2HZ LYS 17 2HZ LYS 17 12.857 -5.735 -5.735 139 H ALA 18 H ALA 18 6.807 -5.593 -5.593 140 HA ALA 18 HA ALA 18 5.667 -7.008 -7.008 141 1HB ALA 18 3HB ALA 18 5.673 -7.121 -7.121 142 2HB ALA 18 1HB ALA 18 6.622 -8.581 -8.581 143 3HB ALA 18 2HB ALA 18 4.980 -8.396 -8.396 144 H GLN 19 H GLN 19 6.168 -9.347 -9.347 145 HA GLN 19 HA GLN 19 8.554 -9.343 -9.343 146 1HB GLN 19 2HB GLN 19 6.699 -10.681 -10.681 147 2HB GLN 19 1HB GLN 19 6.628 -11.583 -11.583 148 1HG GLN 19 2HG GLN 19 9.253 -11.653 -11.653 149 2HG GLN 19 1HG GLN 19 7.923 -12.480 -12.480 150 1HE2 GLN 19 2HE2 GLN 19 7.346 -14.782 -14.782 151 2HE2 GLN 19 1HE2 GLN 19 6.485 -13.711 -13.711 152 H SER 20 H SER 20 7.676 -10.610 -10.610 153 HA SER 20 HA SER 20 10.430 -11.534 -11.534 154 1HB SER 20 2HB SER 20 9.223 -12.678 -12.678 155 2HB SER 20 1HB SER 20 9.304 -13.450 -13.450 156 HG SER 20 HG SER 20 7.125 -13.349 -13.349 157 H GLY 21 H GLY 21 8.520 -8.903 -8.903 158 1HA GLY 21 1HA GLY 21 8.911 -7.076 -7.076 159 2HA GLY 21 2HA GLY 21 10.240 -7.906 -7.906 160 H LYS 22 H LYS 22 7.610 -10.018 -10.018 161 HA LYS 22 HA LYS 22 7.315 -9.762 -9.762 162 1HB LYS 22 2HB LYS 22 6.881 -11.750 -11.750 163 2HB LYS 22 1HB LYS 22 5.249 -11.114 -11.114 164 1HG LYS 22 2HG LYS 22 6.598 -11.482 -11.482 165 2HG LYS 22 1HG LYS 22 6.047 -12.916 -12.916 166 1HD LYS 22 2HD LYS 22 3.814 -12.396 -12.396 167 2HD LYS 22 1HD LYS 22 4.076 -10.675 -10.675 168 1HE LYS 22 2HE LYS 22 4.357 -10.320 -10.320 169 2HE LYS 22 1HE LYS 22 5.323 -11.767 -11.767 170 1HZ LYS 22 1HZ LYS 22 3.171 -11.963 -11.963 171 2HZ LYS 22 2HZ LYS 22 3.267 -13.081 -13.081 172 H THR 23 H THR 23 5.483 -8.470 -8.470 173 HA THR 23 HA THR 23 3.432 -7.380 -7.380 174 HB THR 23 HB THR 23 3.703 -8.127 -8.127 175 HG1 THR 23 1HG THR 23 1.454 -7.106 -7.106 176 1HG2 THR 23 2HG2 THR 23 4.551 -5.538 -5.538 177 2HG2 THR 23 3HG2 THR 23 2.794 -5.260 -5.260 178 3HG2 THR 23 1HG2 THR 23 3.505 -6.228 -6.228 179 H ALA 24 H ALA 24 2.922 -4.874 -4.874 180 HA ALA 24 HA ALA 24 4.834 -3.061 -3.061 181 1HB ALA 24 3HB ALA 24 5.031 -4.146 -4.146 182 2HB ALA 24 1HB ALA 24 5.303 -2.407 -2.407 183 3HB ALA 24 2HB ALA 24 6.318 -3.603 -3.603 184 H ILE 25 H ILE 25 3.518 -1.392 -1.392 185 HA ILE 25 HA ILE 25 1.845 0.046 0.046 186 HB ILE 25 HB ILE 25 1.699 -0.433 -0.433 187 1HG1 ILE 25 2HG1 ILE 25 3.768 1.009 1.009 188 2HG1 ILE 25 3HG1 ILE 25 3.990 -0.103 -0.103 189 1HG2 ILE 25 1HG2 ILE 25 -0.096 0.940 0.940 190 2HG2 ILE 25 2HG2 ILE 25 1.095 1.999 1.999 191 3HG2 ILE 25 3HG2 ILE 25 1.016 1.921 1.921 192 1HD1 ILE 25 1HD1 ILE 25 2.941 1.599 1.599 193 2HD1 ILE 25 2HD1 ILE 25 2.874 2.733 2.733 194 3HD1 ILE 25 3HD1 ILE 25 4.447 2.166 2.166 195 H CYS 26 H CYS 26 -0.353 0.017 0.017 196 HA CYS 26 HA CYS 26 -1.996 -1.971 -1.971 197 1HB CYS 26 2HB CYS 26 -1.064 -3.397 -3.397 198 2HB CYS 26 1HB CYS 26 -1.251 -2.190 -2.190 199 H LYS 27 H LYS 27 -3.734 -0.684 -0.684 200 HA LYS 27 HA LYS 27 -4.315 1.770 1.770 201 1HB LYS 27 2HB LYS 27 -6.511 -0.298 -0.298 202 2HB LYS 27 1HB LYS 27 -6.575 1.397 1.397 203 1HG LYS 27 2HG LYS 27 -4.533 0.716 0.716 204 2HG LYS 27 1HG LYS 27 -5.222 -0.887 -0.887 205 1HD LYS 27 2HD LYS 27 -7.514 0.370 0.370 206 2HD LYS 27 1HD LYS 27 -6.453 1.585 1.585 207 1HE LYS 27 2HE LYS 27 -5.359 -0.198 -0.198 208 2HE LYS 27 1HE LYS 27 -6.484 -1.375 -1.375 209 1HZ LYS 27 1HZ LYS 27 -8.193 0.482 0.482 210 2HZ LYS 27 2HZ LYS 27 -6.996 0.760 0.760 211 H CYS 28 H CYS 28 -5.242 2.931 2.931 212 HA CYS 28 HA CYS 28 -4.927 1.799 1.799 213 1HB CYS 28 2HB CYS 28 -5.484 4.387 4.387 214 2HB CYS 28 1HB CYS 28 -6.560 4.093 4.093 215 H TYR 29 H TYR 29 -7.235 2.733 2.733 216 HA TYR 29 HA TYR 29 -9.366 1.068 1.068 217 1HB TYR 29 2HB TYR 29 -7.741 0.776 0.776 218 2HB TYR 29 1HB TYR 29 -9.322 1.284 1.284 219 HD1 TYR 29 HD2 TYR 29 -7.837 -1.185 -1.185 220 HD2 TYR 29 HD1 TYR 29 -10.869 -0.372 -0.372 221 HE1 TYR 29 HE2 TYR 29 -8.684 -3.573 -3.573 222 HE2 TYR 29 HE1 TYR 29 -11.705 -2.764 -2.764 223 HH TYR 29 HH TYR 29 -10.666 -4.815 -4.815 224 H VAL 30 H VAL 30 -11.189 1.562 1.562 225 HA VAL 30 HA VAL 30 -12.597 3.670 3.670 226 HB VAL 30 HB VAL 30 -13.198 3.827 3.827 227 1HG1 VAL 30 1HG1 VAL 30 -13.830 1.682 1.682 228 2HG1 VAL 30 2HG1 VAL 30 -14.542 1.632 1.632 229 3HG1 VAL 30 3HG1 VAL 30 -14.841 3.031 3.031 230 1HG2 VAL 30 2HG2 VAL 30 -11.022 2.154 2.154 231 2HG2 VAL 30 3HG2 VAL 30 -12.321 2.279 2.279 232 3HG2 VAL 30 1HG2 VAL 30 -12.379 1.003 1.003 233 H LYS 31 H LYS 31 -10.686 4.024 4.024 234 HA LYS 31 HA LYS 31 -10.636 6.813 6.813 235 1HB LYS 31 2HB LYS 31 -9.519 4.726 4.726 236 2HB LYS 31 1HB LYS 31 -8.541 6.177 6.177 237 1HG LYS 31 2HG LYS 31 -10.981 7.346 7.346 238 2HG LYS 31 1HG LYS 31 -11.333 5.829 5.829 239 1HD LYS 31 2HD LYS 31 -9.115 6.253 6.253 240 2HD LYS 31 1HD LYS 31 -9.235 7.899 7.899 241 1HE LYS 31 2HE LYS 31 -11.359 8.249 8.249 242 2HE LYS 31 1HE LYS 31 -11.570 6.536 6.536 243 1HZ LYS 31 1HZ LYS 31 -10.635 7.004 7.004 244 2HZ LYS 31 2HZ LYS 31 -9.201 7.089 7.089 245 H LYS 32 H LYS 32 -9.918 7.522 7.522 246 HA LYS 32 HA LYS 32 -7.793 6.565 6.565 247 1HB LYS 32 2HB LYS 32 -8.511 9.498 9.498 248 2HB LYS 32 1HB LYS 32 -7.844 8.617 8.617 249 1HG LYS 32 2HG LYS 32 -10.043 7.132 7.132 250 2HG LYS 32 1HG LYS 32 -10.656 8.530 8.530 251 1HD LYS 32 2HD LYS 32 -9.685 8.396 8.396 252 2HD LYS 32 1HD LYS 32 -11.286 8.819 8.819 253 1HE LYS 32 2HE LYS 32 -9.946 10.763 10.763 254 2HE LYS 32 1HE LYS 32 -8.761 10.475 10.475 255 1HZ LYS 32 1HZ LYS 32 -10.059 11.662 11.662 256 2HZ LYS 32 2HZ LYS 32 -11.271 10.584 10.584 257 H CYS 33 H CYS 33 -5.683 7.988 7.988 258 HA CYS 33 HA CYS 33 -4.224 7.791 7.791 259 1HB CYS 33 2HB CYS 33 -3.553 7.467 7.467 260 2HB CYS 33 1HB CYS 33 -3.053 9.136 9.136 261 HA PRO 34 HA PRO 34 -4.715 11.957 11.957 262 1HB PRO 34 2HB PRO 34 -2.672 12.193 12.193 263 2HB PRO 34 1HB PRO 34 -4.215 11.460 11.460 264 1HG PRO 34 2HG PRO 34 -1.612 10.149 10.149 265 2HG PRO 34 1HG PRO 34 -3.034 9.501 9.501 266 1HD PRO 34 2HD PRO 34 -2.146 8.927 8.927 267 2HD PRO 34 1HD PRO 34 -3.627 8.372 8.372 268 H ARG 35 H ARG 35 -1.423 11.009 11.009 269 HA ARG 35 HA ARG 35 -1.282 13.054 13.054 270 1HB ARG 35 2HB ARG 35 0.518 14.430 14.430 271 2HB ARG 35 1HB ARG 35 -0.978 14.519 14.519 272 1HG ARG 35 2HG ARG 35 0.250 12.327 12.327 273 2HG ARG 35 1HG ARG 35 1.634 13.324 13.324 274 1HD ARG 35 2HD ARG 35 -0.621 13.890 13.890 275 2HD ARG 35 1HD ARG 35 1.093 14.202 14.202 276 HE ARG 35 HE ARG 35 0.495 15.929 15.929 277 1HH1 ARG 35 2HH2 ARG 35 -1.192 15.295 15.295 278 2HH1 ARG 35 1HH2 ARG 35 -1.829 16.900 16.900 279 HH2 ARG 35 1HH ARG 35 -1.319 18.502 18.502 280 H ASP 36 H ASP 36 0.438 12.608 12.608 281 HA ASP 36 HA ASP 36 1.452 10.210 10.210 282 1HB ASP 36 2HB ASP 36 2.014 11.634 11.634 283 2HB ASP 36 1HB ASP 36 2.524 12.928 12.928 284 HD2 ASP 36 2HD ASP 36 3.503 10.513 10.513 285 H GLY 37 H GLY 37 3.024 8.903 8.903 286 1HA GLY 37 1HA GLY 37 5.140 8.687 8.687 287 2HA GLY 37 2HA GLY 37 4.877 10.216 10.216 288 H ALA 38 H ALA 38 1.937 9.505 9.505 289 HA ALA 38 HA ALA 38 1.998 8.761 8.761 290 1HB ALA 38 2HB ALA 38 0.065 9.086 9.086 291 2HB ALA 38 3HB ALA 38 -0.181 7.407 7.407 292 3HB ALA 38 1HB ALA 38 -0.247 8.739 8.739 293 H LYS 39 H LYS 39 2.812 7.080 7.080 294 HA LYS 39 HA LYS 39 3.821 4.805 4.805 295 1HB LYS 39 2HB LYS 39 4.770 5.778 5.778 296 2HB LYS 39 1HB LYS 39 3.337 5.296 5.296 297 1HG LYS 39 2HG LYS 39 4.567 3.094 3.094 298 2HG LYS 39 1HG LYS 39 5.614 3.738 3.738 299 1HD LYS 39 2HD LYS 39 2.781 2.668 2.668 300 2HD LYS 39 1HD LYS 39 4.263 1.900 1.900 301 1HE LYS 39 2HE LYS 39 3.952 2.983 2.983 302 2HE LYS 39 1HE LYS 39 4.475 4.434 4.434 303 1HZ LYS 39 1HZ LYS 39 2.368 5.230 5.230 304 2HZ LYS 39 2HZ LYS 39 1.688 3.807 3.807 305 H CYS 40 H CYS 40 3.134 2.576 2.576 306 HA CYS 40 HA CYS 40 0.503 2.093 2.093 307 1HB CYS 40 2HB CYS 40 -0.128 1.029 1.029 308 2HB CYS 40 1HB CYS 40 -0.428 2.726 2.726 309 H GLU 41 H GLU 41 -0.011 -0.405 -0.405 310 HA GLU 41 HA GLU 41 2.443 -1.883 -1.883 311 1HB GLU 41 2HB GLU 41 1.404 -3.293 -3.293 312 2HB GLU 41 1HB GLU 41 2.642 -2.066 -2.066 313 1HG GLU 41 2HG GLU 41 -0.330 -1.396 -1.396 314 2HG GLU 41 1HG GLU 41 0.571 -1.864 -1.864 315 HE1 GLU 41 2HE GLU 41 2.841 0.695 0.695 316 H PHE 42 H PHE 42 2.118 -3.820 -3.820 317 HA PHE 42 HA PHE 42 -0.633 -4.325 -4.325 318 1HB PHE 42 2HB PHE 42 1.164 -4.109 -4.109 319 2HB PHE 42 1HB PHE 42 2.147 -5.296 -5.296 320 HD1 PHE 42 1HD PHE 42 1.602 -7.676 -7.676 321 HD2 PHE 42 2HD PHE 42 -0.702 -4.789 -4.789 322 HE1 PHE 42 1HE PHE 42 0.592 -9.497 -9.497 323 HE2 PHE 42 2HE PHE 42 -1.712 -6.610 -6.610 324 HZ PHE 42 HZ PHE 42 -1.053 -8.942 -8.942 325 H ASP 43 H ASP 43 -1.751 -5.668 -5.668 326 HA ASP 43 HA ASP 43 -0.365 -7.587 -7.587 327 1HB ASP 43 2HB ASP 43 -2.736 -6.266 -6.266 328 2HB ASP 43 1HB ASP 43 -3.337 -7.770 -7.770 329 HD1 ASP 43 2HD ASP 43 -1.319 -9.052 -9.052 330 H SER 44 H SER 44 -0.247 -9.858 -9.858 331 HA SER 44 HA SER 44 -1.153 -10.652 -10.652 332 1HB SER 44 2HB SER 44 0.629 -12.108 -12.108 333 2HB SER 44 1HB SER 44 1.277 -10.977 -10.977 334 HG SER 44 HG SER 44 1.098 -13.510 -13.510 335 H TYR 45 H TYR 45 -2.112 -10.765 -10.765 336 HA TYR 45 HA TYR 45 -3.076 -13.398 -13.398 337 1HB TYR 45 2HB TYR 45 -4.015 -12.479 -12.479 338 2HB TYR 45 1HB TYR 45 -2.682 -11.384 -11.384 339 HD1 TYR 45 HD1 TYR 45 -3.779 -9.682 -9.682 340 HD2 TYR 45 HD2 TYR 45 -5.641 -11.180 -11.180 341 HE1 TYR 45 HE1 TYR 45 -5.399 -7.722 -7.722 342 HE2 TYR 45 HE2 TYR 45 -7.254 -9.215 -9.215 343 HH TYR 45 HH TYR 45 -8.108 -7.618 -7.618 344 H LYS 46 H LYS 46 -4.050 -10.813 -10.813 345 HA LYS 46 HA LYS 46 -6.453 -12.270 -12.270 346 1HB LYS 46 2HB LYS 46 -6.524 -9.422 -9.422 347 2HB LYS 46 1HB LYS 46 -7.811 -10.130 -10.130 348 1HG LYS 46 2HG LYS 46 -7.634 -12.098 -12.098 349 2HG LYS 46 1HG LYS 46 -6.908 -10.842 -10.842 350 1HD LYS 46 2HD LYS 46 -8.929 -9.378 -9.378 351 2HD LYS 46 1HD LYS 46 -9.660 -10.732 -10.732 352 1HE LYS 46 2HE LYS 46 -8.801 -11.780 -11.780 353 2HE LYS 46 1HE LYS 46 -9.499 -10.216 -10.216 354 1HZ LYS 46 1HZ LYS 46 -11.412 -11.021 -11.021 355 2HZ LYS 46 2HZ LYS 46 -10.814 -12.518 -12.518 356 H GLY 47 H GLY 47 -4.589 -9.197 -9.197 357 1HA GLY 47 1HA GLY 47 -3.319 -9.068 -9.068 358 2HA GLY 47 2HA GLY 47 -4.665 -9.832 -9.832 359 H LYS 48 H LYS 48 -5.005 -7.352 -7.352 360 HA LYS 48 HA LYS 48 -6.494 -5.723 -5.723 361 1HB LYS 48 2HB LYS 48 -6.668 -6.299 -6.299 362 2HB LYS 48 1HB LYS 48 -6.227 -4.607 -4.607 363 1HG LYS 48 2HG LYS 48 -8.116 -4.614 -4.614 364 2HG LYS 48 1HG LYS 48 -8.700 -5.991 -5.991 365 1HD LYS 48 2HD LYS 48 -8.034 -3.957 -3.957 366 2HD LYS 48 1HD LYS 48 -8.934 -3.169 -3.169 367 1HE LYS 48 2HE LYS 48 -10.727 -3.909 -3.909 368 2HE LYS 48 1HE LYS 48 -10.521 -5.330 -5.330 369 1HZ LYS 48 1HZ LYS 48 -8.960 -5.191 -5.191 370 2HZ LYS 48 2HZ LYS 48 -10.549 -5.521 -5.521 371 H CYS 49 H CYS 49 -5.889 -3.186 -3.186 372 HA CYS 49 HA CYS 49 -3.069 -2.807 -2.807 373 1HB CYS 49 2HB CYS 49 -3.457 -2.431 -2.431 374 2HB CYS 49 1HB CYS 49 -5.112 -1.909 -1.909 375 H TYR 50 H TYR 50 -3.202 -2.278 -2.278 376 HA TYR 50 HA TYR 50 -5.046 -0.392 -0.392 377 1HB TYR 50 2HB TYR 50 -2.337 -1.589 -1.589 378 2HB TYR 50 1HB TYR 50 -3.096 -0.392 -0.392 379 HD1 TYR 50 HD2 TYR 50 -3.760 -3.702 -3.702 380 HD2 TYR 50 HD1 TYR 50 -4.645 -1.058 -1.058 381 HE1 TYR 50 HE2 TYR 50 -5.131 -5.526 -5.526 382 HE2 TYR 50 HE1 TYR 50 -6.013 -2.890 -2.890 383 HH TYR 50 HH TYR 50 -5.915 -6.140 -6.140 384 H CYS 51 H CYS 51 -4.926 1.395 1.395 385 HA CYS 51 HA CYS 51 -2.446 2.782 2.782 386 1HB CYS 51 2HB CYS 51 -5.022 4.082 4.082 387 2HB CYS 51 1HB CYS 51 -3.479 4.088 4.088 Start of MODEL 35 1 H ALA 1 H ALA 1 3.281 -12.032 -12.032 2 HA ALA 1 HA ALA 1 4.585 -11.116 -11.116 3 1HB ALA 1 1HB ALA 1 2.491 -12.983 -12.983 4 2HB ALA 1 2HB ALA 1 2.898 -11.948 -11.948 5 3HB ALA 1 3HB ALA 1 4.171 -12.894 -12.894 6 H THR 2 H THR 2 3.367 -8.880 -8.880 7 HA THR 2 HA THR 2 1.877 -7.569 -7.569 8 HB THR 2 HB THR 2 2.940 -6.062 -6.062 9 HG1 THR 2 1HG THR 2 1.980 -7.494 -7.494 10 1HG2 THR 2 3HG2 THR 2 0.719 -5.886 -5.886 11 2HG2 THR 2 1HG2 THR 2 0.039 -6.479 -6.479 12 3HG2 THR 2 2HG2 THR 2 0.954 -4.952 -4.952 13 H TYR 3 H TYR 3 2.564 -5.992 -5.992 14 HA TYR 3 HA TYR 3 5.480 -5.622 -5.622 15 1HB TYR 3 2HB TYR 3 3.389 -5.178 -5.178 16 2HB TYR 3 1HB TYR 3 5.114 -5.394 -5.394 17 HD1 TYR 3 HD1 TYR 3 5.792 -7.786 -7.786 18 HD2 TYR 3 HD2 TYR 3 2.252 -6.934 -6.934 19 HE1 TYR 3 HE1 TYR 3 5.425 -10.273 -10.273 20 HE2 TYR 3 HE2 TYR 3 1.898 -9.424 -9.424 21 HH TYR 3 HH TYR 3 3.894 -11.793 -11.793 22 H ASN 4 H ASN 4 6.172 -3.653 -3.653 23 HA ASN 4 HA ASN 4 4.256 -1.523 -1.523 24 1HB ASN 4 2HB ASN 4 7.132 -1.863 -1.863 25 2HB ASN 4 1HB ASN 4 6.360 -0.290 -0.290 26 1HD2 ASN 4 2HD2 ASN 4 4.676 -3.346 -3.346 27 2HD2 ASN 4 1HD2 ASN 4 5.330 -3.636 -3.636 28 H GLY 5 H GLY 5 4.862 0.678 0.678 29 1HA GLY 5 1HA GLY 5 7.011 1.045 1.045 30 2HA GLY 5 2HA GLY 5 5.622 0.515 0.515 31 H LYS 6 H LYS 6 4.681 2.269 2.269 32 HA LYS 6 HA LYS 6 3.900 4.454 4.454 33 1HB LYS 6 2HB LYS 6 5.463 4.887 4.887 34 2HB LYS 6 1HB LYS 6 4.723 6.144 6.144 35 1HG LYS 6 2HG LYS 6 6.158 5.598 5.598 36 2HG LYS 6 1HG LYS 6 6.801 4.192 4.192 37 1HD LYS 6 2HD LYS 6 7.585 5.854 5.854 38 2HD LYS 6 1HD LYS 6 7.244 7.123 7.123 39 1HE LYS 6 2HE LYS 6 9.218 6.739 6.739 40 2HE LYS 6 1HE LYS 6 8.757 5.078 5.078 41 1HZ LYS 6 1HZ LYS 6 10.215 6.119 6.119 42 2HZ LYS 6 2HZ LYS 6 10.661 4.920 4.920 43 H CYS 7 H CYS 7 2.343 5.974 5.974 44 HA CYS 7 HA CYS 7 0.934 4.476 4.476 45 1HB CYS 7 2HB CYS 7 -1.235 5.242 5.242 46 2HB CYS 7 1HB CYS 7 -0.425 3.764 3.764 47 H TYR 8 H TYR 8 -0.494 5.935 5.935 48 HA TYR 8 HA TYR 8 0.333 8.746 8.746 49 1HB TYR 8 2HB TYR 8 -0.448 7.011 7.011 50 2HB TYR 8 1HB TYR 8 -0.013 8.705 8.705 51 HD1 TYR 8 HD1 TYR 8 2.373 9.105 9.105 52 HD2 TYR 8 HD2 TYR 8 1.197 5.618 5.618 53 HE1 TYR 8 HE1 TYR 8 4.813 8.453 8.453 54 HE2 TYR 8 HE2 TYR 8 3.642 4.978 4.978 55 HH TYR 8 HH TYR 8 6.157 7.146 7.146 56 H LYS 9 H LYS 9 -1.271 10.201 10.201 57 HA LYS 9 HA LYS 9 -3.928 9.325 9.325 58 1HB LYS 9 2HB LYS 9 -4.411 11.678 11.678 59 2HB LYS 9 1HB LYS 9 -2.996 11.132 11.132 60 1HG LYS 9 2HG LYS 9 -2.158 13.122 13.122 61 2HG LYS 9 1HG LYS 9 -1.696 12.042 12.042 62 1HD LYS 9 2HD LYS 9 -2.768 13.654 13.654 63 2HD LYS 9 1HD LYS 9 -4.156 12.647 12.647 64 1HE LYS 9 2HE LYS 9 -5.090 14.195 14.195 65 2HE LYS 9 1HE LYS 9 -3.539 14.694 14.694 66 1HZ LYS 9 1HZ LYS 9 -4.234 16.511 16.511 67 2HZ LYS 9 2HZ LYS 9 -3.216 15.765 15.765 68 H LYS 10 H LYS 10 -2.220 11.285 11.285 69 HA LYS 10 HA LYS 10 -4.396 11.851 11.851 70 1HB LYS 10 2HB LYS 10 -1.827 12.496 12.496 71 2HB LYS 10 1HB LYS 10 -1.765 11.178 11.178 72 1HG LYS 10 2HG LYS 10 -3.082 12.283 12.283 73 2HG LYS 10 1HG LYS 10 -4.037 13.103 13.103 74 1HD LYS 10 2HD LYS 10 -1.427 14.137 14.137 75 2HD LYS 10 1HD LYS 10 -1.618 14.021 14.021 76 1HE LYS 10 2HE LYS 10 -3.671 15.341 15.341 77 2HE LYS 10 1HE LYS 10 -2.404 16.224 16.224 78 1HZ LYS 10 1HZ LYS 10 -4.225 14.485 14.485 79 2HZ LYS 10 2HZ LYS 10 -4.686 15.996 15.996 80 H ASP 11 H ASP 11 -2.109 9.047 9.047 81 HA ASP 11 HA ASP 11 -3.893 7.839 7.839 82 1HB ASP 11 2HB ASP 11 -1.195 7.366 7.366 83 2HB ASP 11 1HB ASP 11 -2.089 5.870 5.870 84 HD1 ASP 11 2HD ASP 11 -2.695 7.888 7.888 85 H ASN 12 H ASN 12 -3.937 8.242 8.242 86 HA ASN 12 HA ASN 12 -4.651 7.098 7.098 87 1HB ASN 12 2HB ASN 12 -6.804 7.776 7.776 88 2HB ASN 12 1HB ASN 12 -6.758 6.668 6.668 89 1HD2 ASN 12 2HD2 ASN 12 -7.524 5.224 5.224 90 2HD2 ASN 12 1HD2 ASN 12 -6.499 6.595 6.595 91 H ILE 13 H ILE 13 -2.638 5.543 5.543 92 HA ILE 13 HA ILE 13 -3.739 2.838 2.838 93 HB ILE 13 HB ILE 13 -1.983 2.110 2.110 94 1HG1 ILE 13 2HG1 ILE 13 -1.109 4.039 4.039 95 2HG1 ILE 13 3HG1 ILE 13 -1.435 5.068 5.068 96 1HG2 ILE 13 3HG2 ILE 13 -4.444 3.398 3.398 97 2HG2 ILE 13 1HG2 ILE 13 -3.297 3.903 3.903 98 3HG2 ILE 13 2HG2 ILE 13 -3.596 2.173 2.173 99 1HD1 ILE 13 2HD1 ILE 13 -0.044 2.611 2.611 100 2HD1 ILE 13 3HD1 ILE 13 0.874 3.526 3.526 101 3HD1 ILE 13 1HD1 ILE 13 0.393 4.309 4.309 102 H CYS 14 H CYS 14 -1.618 1.295 1.295 103 HA CYS 14 HA CYS 14 -0.005 2.639 2.639 104 1HB CYS 14 2HB CYS 14 -1.492 1.559 1.559 105 2HB CYS 14 1HB CYS 14 -1.710 0.203 0.203 106 H LYS 15 H LYS 15 2.095 2.487 2.487 107 HA LYS 15 HA LYS 15 2.771 0.261 0.261 108 1HB LYS 15 2HB LYS 15 4.549 1.572 1.572 109 2HB LYS 15 1HB LYS 15 3.215 2.693 2.693 110 1HG LYS 15 2HG LYS 15 4.120 3.334 3.334 111 2HG LYS 15 1HG LYS 15 5.496 2.287 2.287 112 1HD LYS 15 2HD LYS 15 4.816 4.382 4.382 113 2HD LYS 15 1HD LYS 15 5.607 4.891 4.891 114 1HE LYS 15 2HE LYS 15 6.634 2.909 2.909 115 2HE LYS 15 1HE LYS 15 7.364 4.427 4.427 116 1HZ LYS 15 1HZ LYS 15 8.434 2.472 2.472 117 2HZ LYS 15 2HZ LYS 15 7.837 3.483 3.483 118 H TYR 16 H TYR 16 3.863 -1.485 -1.485 119 HA TYR 16 HA TYR 16 5.686 -1.163 -1.163 120 1HB TYR 16 2HB TYR 16 4.487 -2.923 -2.923 121 2HB TYR 16 1HB TYR 16 3.342 -1.650 -1.650 122 HD1 TYR 16 HD1 TYR 16 1.876 -1.983 -1.983 123 HD2 TYR 16 HD2 TYR 16 3.994 -5.146 -5.146 124 HE1 TYR 16 HE1 TYR 16 0.341 -3.692 -3.692 125 HE2 TYR 16 HE2 TYR 16 2.452 -6.845 -6.845 126 HH TYR 16 HH TYR 16 0.142 -5.869 -5.869 127 H LYS 17 H LYS 17 6.702 -3.462 -3.462 128 HA LYS 17 HA LYS 17 7.734 -4.367 -4.367 129 1HB LYS 17 2HB LYS 17 8.396 -4.554 -4.554 130 2HB LYS 17 1HB LYS 17 8.515 -6.131 -6.131 131 1HG LYS 17 2HG LYS 17 10.026 -5.280 -5.280 132 2HG LYS 17 1HG LYS 17 9.762 -3.624 -3.624 133 1HD LYS 17 2HD LYS 17 10.904 -3.993 -3.993 134 2HD LYS 17 1HD LYS 17 10.931 -5.728 -5.728 135 1HE LYS 17 2HE LYS 17 12.807 -5.632 -5.632 136 2HE LYS 17 1HE LYS 17 12.187 -4.295 -4.295 137 1HZ LYS 17 1HZ LYS 17 12.706 -3.042 -3.042 138 2HZ LYS 17 2HZ LYS 17 13.839 -4.208 -4.208 139 H ALA 18 H ALA 18 7.801 -6.759 -6.759 140 HA ALA 18 HA ALA 18 5.132 -7.890 -7.890 141 1HB ALA 18 1HB ALA 18 6.251 -7.119 -7.119 142 2HB ALA 18 2HB ALA 18 6.675 -8.847 -8.847 143 3HB ALA 18 3HB ALA 18 4.972 -8.344 -8.344 144 H GLN 19 H GLN 19 7.312 -8.193 -8.193 145 HA GLN 19 HA GLN 19 8.247 -9.760 -9.760 146 1HB GLN 19 2HB GLN 19 6.401 -11.197 -11.197 147 2HB GLN 19 1HB GLN 19 6.452 -11.455 -11.455 148 1HG GLN 19 2HG GLN 19 8.867 -12.396 -12.396 149 2HG GLN 19 1HG GLN 19 7.388 -13.256 -13.256 150 1HE2 GLN 19 2HE2 GLN 19 6.822 -14.393 -14.393 151 2HE2 GLN 19 1HE2 GLN 19 5.991 -13.666 -13.666 152 H SER 20 H SER 20 8.224 -10.967 -10.967 153 HA SER 20 HA SER 20 10.545 -12.295 -12.295 154 1HB SER 20 2HB SER 20 10.541 -10.869 -10.869 155 2HB SER 20 1HB SER 20 9.913 -12.478 -12.478 156 HG SER 20 HG SER 20 7.856 -11.690 -11.690 157 H GLY 21 H GLY 21 10.045 -8.767 -8.767 158 1HA GLY 21 1HA GLY 21 11.878 -7.558 -7.558 159 2HA GLY 21 2HA GLY 21 12.982 -8.403 -8.403 160 H LYS 22 H LYS 22 10.488 -8.099 -8.099 161 HA LYS 22 HA LYS 22 11.639 -5.839 -5.839 162 1HB LYS 22 2HB LYS 22 10.769 -7.869 -7.869 163 2HB LYS 22 1HB LYS 22 9.143 -7.414 -7.414 164 1HG LYS 22 2HG LYS 22 9.525 -5.168 -5.168 165 2HG LYS 22 1HG LYS 22 11.050 -5.795 -5.795 166 1HD LYS 22 2HD LYS 22 9.919 -7.582 -7.582 167 2HD LYS 22 1HD LYS 22 8.379 -7.185 -7.185 168 1HE LYS 22 2HE LYS 22 9.767 -4.949 -4.949 169 2HE LYS 22 1HE LYS 22 9.152 -6.249 -6.249 170 1HZ LYS 22 1HZ LYS 22 7.177 -5.211 -5.211 171 2HZ LYS 22 2HZ LYS 22 7.103 -5.740 -5.740 172 H THR 23 H THR 23 8.241 -5.802 -5.802 173 HA THR 23 HA THR 23 7.648 -4.022 -4.022 174 HB THR 23 HB THR 23 7.914 -2.947 -2.947 175 HG1 THR 23 1HG THR 23 9.562 -1.662 -1.662 176 1HG2 THR 23 1HG2 THR 23 7.028 -1.650 -1.650 177 2HG2 THR 23 2HG2 THR 23 7.482 -0.735 -0.735 178 3HG2 THR 23 3HG2 THR 23 6.057 -1.802 -1.802 179 H ALA 24 H ALA 24 5.356 -3.161 -3.161 180 HA ALA 24 HA ALA 24 3.646 -4.408 -4.408 181 1HB ALA 24 2HB ALA 24 4.256 -5.815 -5.815 182 2HB ALA 24 3HB ALA 24 2.517 -5.566 -5.566 183 3HB ALA 24 1HB ALA 24 3.505 -6.422 -6.422 184 H ILE 25 H ILE 25 1.946 -3.034 -3.034 185 HA ILE 25 HA ILE 25 1.496 -1.162 -1.162 186 HB ILE 25 HB ILE 25 0.658 -0.870 -0.870 187 1HG1 ILE 25 2HG1 ILE 25 3.279 -0.287 -0.287 188 2HG1 ILE 25 3HG1 ILE 25 2.955 -0.940 -0.940 189 1HG2 ILE 25 2HG2 ILE 25 -0.583 0.491 0.491 190 2HG2 ILE 25 3HG2 ILE 25 0.950 1.158 1.158 191 3HG2 ILE 25 1HG2 ILE 25 0.440 1.491 1.491 192 1HD1 ILE 25 2HD1 ILE 25 1.929 1.355 1.355 193 2HD1 ILE 25 3HD1 ILE 25 2.656 1.943 1.943 194 3HD1 ILE 25 1HD1 ILE 25 3.695 1.306 1.306 195 H CYS 26 H CYS 26 -0.506 -0.985 -0.985 196 HA CYS 26 HA CYS 26 -2.609 -2.679 -2.679 197 1HB CYS 26 2HB CYS 26 -3.232 -3.400 -3.400 198 2HB CYS 26 1HB CYS 26 -1.657 -3.984 -3.984 199 H LYS 27 H LYS 27 -4.161 -1.196 -1.196 200 HA LYS 27 HA LYS 27 -4.353 1.387 1.387 201 1HB LYS 27 2HB LYS 27 -6.785 -0.394 -0.394 202 2HB LYS 27 1HB LYS 27 -6.648 1.304 1.304 203 1HG LYS 27 2HG LYS 27 -4.611 0.348 0.348 204 2HG LYS 27 1HG LYS 27 -5.601 -1.097 -1.097 205 1HD LYS 27 2HD LYS 27 -6.847 1.590 1.590 206 2HD LYS 27 1HD LYS 27 -6.021 0.662 0.662 207 1HE LYS 27 2HE LYS 27 -7.515 -1.331 -1.331 208 2HE LYS 27 1HE LYS 27 -8.438 -0.209 -0.209 209 1HZ LYS 27 1HZ LYS 27 -8.176 -0.257 -0.257 210 2HZ LYS 27 2HZ LYS 27 -9.531 -0.136 -0.136 211 H CYS 28 H CYS 28 -5.681 2.662 2.662 212 HA CYS 28 HA CYS 28 -5.633 1.409 1.409 213 1HB CYS 28 2HB CYS 28 -5.473 4.195 4.195 214 2HB CYS 28 1HB CYS 28 -6.265 3.969 3.969 215 H TYR 29 H TYR 29 -7.543 1.563 1.563 216 HA TYR 29 HA TYR 29 -9.990 1.331 1.331 217 1HB TYR 29 2HB TYR 29 -8.747 0.359 0.359 218 2HB TYR 29 1HB TYR 29 -10.187 1.229 1.229 219 HD1 TYR 29 HD2 TYR 29 -9.609 -0.862 -0.862 220 HD2 TYR 29 HD1 TYR 29 -11.715 -0.419 -0.419 221 HE1 TYR 29 HE2 TYR 29 -11.034 -2.892 -2.892 222 HE2 TYR 29 HE1 TYR 29 -13.133 -2.450 -2.450 223 HH TYR 29 HH TYR 29 -12.502 -4.316 -4.316 224 H VAL 30 H VAL 30 -11.889 2.139 2.139 225 HA VAL 30 HA VAL 30 -12.463 4.656 4.656 226 HB VAL 30 HB VAL 30 -13.336 4.667 4.667 227 1HG1 VAL 30 1HG1 VAL 30 -14.314 3.345 3.345 228 2HG1 VAL 30 2HG1 VAL 30 -15.196 3.032 3.032 229 3HG1 VAL 30 3HG1 VAL 30 -15.003 4.701 4.701 230 1HG2 VAL 30 1HG2 VAL 30 -11.855 2.410 2.410 231 2HG2 VAL 30 2HG2 VAL 30 -13.327 2.677 2.677 232 3HG2 VAL 30 3HG2 VAL 30 -13.408 1.725 1.725 233 H LYS 31 H LYS 31 -10.441 3.717 3.717 234 HA LYS 31 HA LYS 31 -9.863 6.340 6.340 235 1HB LYS 31 2HB LYS 31 -8.839 3.621 3.621 236 2HB LYS 31 1HB LYS 31 -7.745 4.949 4.949 237 1HG LYS 31 2HG LYS 31 -10.534 5.479 5.479 238 2HG LYS 31 1HG LYS 31 -9.809 4.100 4.100 239 1HD LYS 31 2HD LYS 31 -8.000 6.450 6.450 240 2HD LYS 31 1HD LYS 31 -9.445 6.754 6.754 241 1HE LYS 31 2HE LYS 31 -8.062 5.880 5.880 242 2HE LYS 31 1HE LYS 31 -8.849 4.409 4.409 243 1HZ LYS 31 1HZ LYS 31 -6.279 5.318 5.318 244 2HZ LYS 31 2HZ LYS 31 -6.343 4.322 4.322 245 H LYS 32 H LYS 32 -9.501 7.417 7.417 246 HA LYS 32 HA LYS 32 -7.518 6.707 6.707 247 1HB LYS 32 2HB LYS 32 -9.209 8.328 8.328 248 2HB LYS 32 1HB LYS 32 -8.685 9.406 9.406 249 1HG LYS 32 2HG LYS 32 -6.669 9.978 9.978 250 2HG LYS 32 1HG LYS 32 -6.714 8.550 8.550 251 1HD LYS 32 2HD LYS 32 -7.329 10.642 10.642 252 2HD LYS 32 1HD LYS 32 -8.597 9.433 9.433 253 1HE LYS 32 2HE LYS 32 -10.017 10.658 10.658 254 2HE LYS 32 1HE LYS 32 -8.700 11.400 11.400 255 1HZ LYS 32 1HZ LYS 32 -9.474 12.104 12.104 256 2HZ LYS 32 2HZ LYS 32 -9.787 13.007 13.007 257 H CYS 33 H CYS 33 -5.357 7.633 7.633 258 HA CYS 33 HA CYS 33 -3.821 7.481 7.481 259 1HB CYS 33 2HB CYS 33 -2.715 8.747 8.747 260 2HB CYS 33 1HB CYS 33 -1.980 7.602 7.602 261 HA PRO 34 HA PRO 34 -3.906 11.666 11.666 262 1HB PRO 34 2HB PRO 34 -1.597 11.860 11.860 263 2HB PRO 34 1HB PRO 34 -3.073 11.163 11.163 264 1HG PRO 34 2HG PRO 34 -0.612 9.792 9.792 265 2HG PRO 34 1HG PRO 34 -1.902 9.179 9.179 266 1HD PRO 34 2HD PRO 34 -1.465 8.579 8.579 267 2HD PRO 34 1HD PRO 34 -2.818 8.059 8.059 268 H ARG 35 H ARG 35 -0.765 10.671 10.671 269 HA ARG 35 HA ARG 35 -0.881 12.623 12.623 270 1HB ARG 35 2HB ARG 35 1.005 14.088 14.088 271 2HB ARG 35 1HB ARG 35 -0.401 14.219 14.219 272 1HG ARG 35 2HG ARG 35 1.002 12.110 12.110 273 2HG ARG 35 1HG ARG 35 2.296 13.148 13.148 274 1HD ARG 35 2HD ARG 35 0.730 15.064 15.064 275 2HD ARG 35 1HD ARG 35 0.166 13.710 13.710 276 HE ARG 35 HE ARG 35 2.312 13.517 13.517 277 1HH1 ARG 35 2HH2 ARG 35 2.357 15.931 15.931 278 2HH1 ARG 35 1HH2 ARG 35 3.896 16.579 16.579 279 HH2 ARG 35 1HH ARG 35 5.044 15.647 15.647 280 H ASP 36 H ASP 36 0.688 12.147 12.147 281 HA ASP 36 HA ASP 36 1.716 9.796 9.796 282 1HB ASP 36 2HB ASP 36 2.264 11.110 11.110 283 2HB ASP 36 1HB ASP 36 2.622 12.507 12.507 284 HD1 ASP 36 2HD ASP 36 5.922 11.160 11.160 285 H GLY 37 H GLY 37 3.452 8.501 8.501 286 1HA GLY 37 1HA GLY 37 5.522 8.151 8.151 287 2HA GLY 37 2HA GLY 37 5.476 9.757 9.757 288 H ALA 38 H ALA 38 2.536 9.315 9.315 289 HA ALA 38 HA ALA 38 2.828 8.771 8.771 290 1HB ALA 38 3HB ALA 38 0.510 7.986 7.986 291 2HB ALA 38 1HB ALA 38 0.423 8.122 8.122 292 3HB ALA 38 2HB ALA 38 0.753 9.565 9.565 293 H LYS 39 H LYS 39 3.563 7.090 7.090 294 HA LYS 39 HA LYS 39 4.219 4.644 4.644 295 1HB LYS 39 2HB LYS 39 5.456 5.667 5.667 296 2HB LYS 39 1HB LYS 39 4.090 5.356 5.356 297 1HG LYS 39 2HG LYS 39 4.287 2.874 2.874 298 2HG LYS 39 1HG LYS 39 5.812 3.293 3.293 299 1HD LYS 39 2HD LYS 39 6.757 2.916 2.916 300 2HD LYS 39 1HD LYS 39 6.079 4.461 4.461 301 1HE LYS 39 2HE LYS 39 4.119 3.421 3.421 302 2HE LYS 39 1HE LYS 39 4.472 1.880 1.880 303 1HZ LYS 39 1HZ LYS 39 5.127 2.132 2.132 304 2HZ LYS 39 2HZ LYS 39 6.290 1.540 1.540 305 H CYS 40 H CYS 40 3.297 2.552 2.552 306 HA CYS 40 HA CYS 40 0.797 2.363 2.363 307 1HB CYS 40 2HB CYS 40 -0.237 1.325 1.325 308 2HB CYS 40 1HB CYS 40 -0.312 3.051 3.051 309 H GLU 41 H GLU 41 -0.057 -0.100 -0.100 310 HA GLU 41 HA GLU 41 2.216 -1.808 -1.808 311 1HB GLU 41 2HB GLU 41 1.298 -3.143 -3.143 312 2HB GLU 41 1HB GLU 41 2.536 -1.911 -1.911 313 1HG GLU 41 2HG GLU 41 -0.431 -1.260 -1.260 314 2HG GLU 41 1HG GLU 41 0.536 -1.738 -1.738 315 HE2 GLU 41 2HE GLU 41 -0.042 1.581 1.581 316 H PHE 42 H PHE 42 1.627 -3.827 -3.827 317 HA PHE 42 HA PHE 42 -1.225 -4.040 -4.040 318 1HB PHE 42 2HB PHE 42 0.333 -3.925 -3.925 319 2HB PHE 42 1HB PHE 42 1.388 -5.122 -5.122 320 HD1 PHE 42 1HD PHE 42 0.709 -7.501 -7.501 321 HD2 PHE 42 2HD PHE 42 -1.611 -4.576 -4.576 322 HE1 PHE 42 1HE PHE 42 -0.490 -9.316 -9.316 323 HE2 PHE 42 2HE PHE 42 -2.810 -6.391 -6.391 324 HZ PHE 42 HZ PHE 42 -2.235 -8.739 -8.739 325 H ASP 43 H ASP 43 -2.295 -5.341 -5.341 326 HA ASP 43 HA ASP 43 -0.921 -7.337 -7.337 327 1HB ASP 43 2HB ASP 43 -3.193 -5.949 -5.949 328 2HB ASP 43 1HB ASP 43 -3.923 -7.360 -7.360 329 HD2 ASP 43 2HD ASP 43 -3.366 -7.578 -7.578 330 H SER 44 H SER 44 -0.777 -9.568 -9.568 331 HA SER 44 HA SER 44 -1.875 -10.331 -10.331 332 1HB SER 44 2HB SER 44 -0.207 -11.979 -11.979 333 2HB SER 44 1HB SER 44 0.596 -10.687 -10.687 334 HG SER 44 HG SER 44 0.204 -11.775 -11.775 335 H TYR 45 H TYR 45 -2.898 -10.295 -10.295 336 HA TYR 45 HA TYR 45 -3.801 -12.966 -12.966 337 1HB TYR 45 2HB TYR 45 -4.603 -12.013 -12.013 338 2HB TYR 45 1HB TYR 45 -3.391 -10.822 -10.822 339 HD1 TYR 45 HD1 TYR 45 -4.643 -9.197 -9.197 340 HD2 TYR 45 HD2 TYR 45 -6.385 -10.927 -10.927 341 HE1 TYR 45 HE1 TYR 45 -6.427 -7.385 -7.385 342 HE2 TYR 45 HE2 TYR 45 -8.163 -9.110 -9.110 343 HH TYR 45 HH TYR 45 -8.032 -6.454 -6.454 344 H LYS 46 H LYS 46 -4.827 -10.361 -10.361 345 HA LYS 46 HA LYS 46 -7.228 -11.845 -11.845 346 1HB LYS 46 2HB LYS 46 -7.306 -8.973 -8.973 347 2HB LYS 46 1HB LYS 46 -8.617 -9.752 -9.752 348 1HG LYS 46 2HG LYS 46 -8.344 -11.637 -11.637 349 2HG LYS 46 1HG LYS 46 -7.541 -10.366 -10.366 350 1HD LYS 46 2HD LYS 46 -9.634 -8.903 -8.903 351 2HD LYS 46 1HD LYS 46 -10.406 -10.409 -10.409 352 1HE LYS 46 2HE LYS 46 -9.205 -10.970 -10.970 353 2HE LYS 46 1HE LYS 46 -9.843 -9.347 -9.347 354 1HZ LYS 46 1HZ LYS 46 -11.879 -10.244 -10.244 355 2HZ LYS 46 2HZ LYS 46 -11.779 -10.886 -10.886 356 H GLY 47 H GLY 47 -5.610 -8.643 -8.643 357 1HA GLY 47 1HA GLY 47 -4.296 -8.600 -8.600 358 2HA GLY 47 2HA GLY 47 -5.698 -9.313 -9.313 359 H LYS 48 H LYS 48 -5.618 -6.767 -6.767 360 HA LYS 48 HA LYS 48 -7.083 -5.045 -5.045 361 1HB LYS 48 2HB LYS 48 -7.481 -5.768 -5.768 362 2HB LYS 48 1HB LYS 48 -7.153 -4.048 -4.048 363 1HG LYS 48 2HG LYS 48 -9.018 -3.602 -3.602 364 2HG LYS 48 1HG LYS 48 -9.067 -5.229 -5.229 365 1HD LYS 48 2HD LYS 48 -10.848 -5.398 -5.398 366 2HD LYS 48 1HD LYS 48 -9.566 -5.863 -5.863 367 1HE LYS 48 2HE LYS 48 -10.130 -4.120 -4.120 368 2HE LYS 48 1HE LYS 48 -9.614 -3.019 -3.019 369 1HZ LYS 48 1HZ LYS 48 -12.345 -4.079 -4.079 370 2HZ LYS 48 2HZ LYS 48 -11.876 -2.520 -2.520 371 H CYS 49 H CYS 49 -6.596 -2.607 -2.607 372 HA CYS 49 HA CYS 49 -3.706 -2.327 -2.327 373 1HB CYS 49 2HB CYS 49 -4.319 -1.687 -1.687 374 2HB CYS 49 1HB CYS 49 -5.720 -0.792 -0.792 375 H TYR 50 H TYR 50 -3.684 -2.090 -2.090 376 HA TYR 50 HA TYR 50 -5.504 -0.436 -0.436 377 1HB TYR 50 2HB TYR 50 -2.814 -1.803 -1.803 378 2HB TYR 50 1HB TYR 50 -3.284 -0.614 -0.614 379 HD1 TYR 50 HD2 TYR 50 -5.534 -2.987 -2.987 380 HD2 TYR 50 HD1 TYR 50 -3.652 -1.963 -1.963 381 HE1 TYR 50 HE2 TYR 50 -6.926 -4.742 -4.742 382 HE2 TYR 50 HE1 TYR 50 -5.050 -3.722 -3.722 383 HH TYR 50 HH TYR 50 -7.547 -5.521 -5.521 384 H CYS 51 H CYS 51 -5.086 1.308 1.308 385 HA CYS 51 HA CYS 51 -2.806 2.963 2.963 386 1HB CYS 51 2HB CYS 51 -4.932 3.611 3.611 387 2HB CYS 51 1HB CYS 51 -3.275 4.176 4.176 Start of MODEL 36 1 H ALA 1 H ALA 1 2.611 -10.397 -10.397 2 HA ALA 1 HA ALA 1 5.032 -10.843 -10.843 3 1HB ALA 1 2HB ALA 1 2.907 -12.733 -12.733 4 2HB ALA 1 3HB ALA 1 3.382 -11.783 -11.783 5 3HB ALA 1 1HB ALA 1 4.606 -12.714 -12.714 6 H THR 2 H THR 2 3.671 -8.610 -8.610 7 HA THR 2 HA THR 2 2.207 -7.404 -7.404 8 HB THR 2 HB THR 2 3.169 -5.785 -5.785 9 HG1 THR 2 1HG THR 2 2.720 -7.530 -7.530 10 1HG2 THR 2 2HG2 THR 2 1.062 -5.581 -5.581 11 2HG2 THR 2 3HG2 THR 2 0.282 -6.434 -6.434 12 3HG2 THR 2 1HG2 THR 2 1.056 -4.854 -4.854 13 H TYR 3 H TYR 3 2.839 -5.655 -5.655 14 HA TYR 3 HA TYR 3 5.755 -5.249 -5.249 15 1HB TYR 3 2HB TYR 3 3.734 -4.938 -4.938 16 2HB TYR 3 1HB TYR 3 5.469 -5.134 -5.134 17 HD1 TYR 3 HD1 TYR 3 6.220 -7.459 -7.459 18 HD2 TYR 3 HD2 TYR 3 2.567 -6.751 -6.751 19 HE1 TYR 3 HE1 TYR 3 5.904 -9.963 -9.963 20 HE2 TYR 3 HE2 TYR 3 2.264 -9.257 -9.257 21 HH TYR 3 HH TYR 3 3.219 -11.380 -11.380 22 H ASN 4 H ASN 4 6.322 -3.238 -3.238 23 HA ASN 4 HA ASN 4 4.322 -1.197 -1.197 24 1HB ASN 4 2HB ASN 4 7.222 -0.643 -0.643 25 2HB ASN 4 1HB ASN 4 5.780 -0.014 -0.014 26 1HD2 ASN 4 2HD2 ASN 4 5.233 -2.757 -2.757 27 2HD2 ASN 4 1HD2 ASN 4 4.490 -1.456 -1.456 28 H GLY 5 H GLY 5 4.776 0.984 0.984 29 1HA GLY 5 1HA GLY 5 6.917 1.335 1.335 30 2HA GLY 5 2HA GLY 5 5.468 0.831 0.831 31 H LYS 6 H LYS 6 4.760 2.701 2.701 32 HA LYS 6 HA LYS 6 3.879 4.813 4.813 33 1HB LYS 6 2HB LYS 6 5.527 5.519 5.519 34 2HB LYS 6 1HB LYS 6 4.977 6.576 6.576 35 1HG LYS 6 2HG LYS 6 6.433 5.423 5.423 36 2HG LYS 6 1HG LYS 6 6.913 4.250 4.250 37 1HD LYS 6 2HD LYS 6 7.828 6.186 6.186 38 2HD LYS 6 1HD LYS 6 7.499 7.247 7.247 39 1HE LYS 6 2HE LYS 6 9.208 6.353 6.353 40 2HE LYS 6 1HE LYS 6 9.063 4.754 4.754 41 1HZ LYS 6 1HZ LYS 6 10.192 7.086 7.086 42 2HZ LYS 6 2HZ LYS 6 11.096 5.949 5.949 43 H CYS 7 H CYS 7 2.306 6.283 6.283 44 HA CYS 7 HA CYS 7 1.150 5.014 5.014 45 1HB CYS 7 2HB CYS 7 -1.112 5.729 5.729 46 2HB CYS 7 1HB CYS 7 -0.361 4.210 4.210 47 H TYR 8 H TYR 8 -0.604 6.682 6.682 48 HA TYR 8 HA TYR 8 0.292 9.427 9.427 49 1HB TYR 8 2HB TYR 8 -0.050 7.949 7.949 50 2HB TYR 8 1HB TYR 8 0.363 9.645 9.645 51 HD1 TYR 8 HD1 TYR 8 2.572 10.202 10.202 52 HD2 TYR 8 HD2 TYR 8 1.648 6.343 6.343 53 HE1 TYR 8 HE1 TYR 8 5.040 9.592 9.592 54 HE2 TYR 8 HE2 TYR 8 4.119 5.746 5.746 55 HH TYR 8 HH TYR 8 6.540 8.145 8.145 56 H LYS 9 H LYS 9 -1.360 10.916 10.916 57 HA LYS 9 HA LYS 9 -3.979 10.031 10.031 58 1HB LYS 9 2HB LYS 9 -2.539 12.574 12.574 59 2HB LYS 9 1HB LYS 9 -4.119 12.725 12.725 60 1HG LYS 9 2HG LYS 9 -5.129 11.534 11.534 61 2HG LYS 9 1HG LYS 9 -3.544 11.483 11.483 62 1HD LYS 9 2HD LYS 9 -3.584 13.713 13.713 63 2HD LYS 9 1HD LYS 9 -4.350 14.189 14.189 64 1HE LYS 9 2HE LYS 9 -6.404 12.781 12.781 65 2HE LYS 9 1HE LYS 9 -5.596 13.414 13.414 66 1HZ LYS 9 1HZ LYS 9 -5.786 15.467 15.467 67 2HZ LYS 9 2HZ LYS 9 -7.266 14.814 14.814 68 H LYS 10 H LYS 10 -2.701 12.205 12.205 69 HA LYS 10 HA LYS 10 -4.692 11.988 11.988 70 1HB LYS 10 2HB LYS 10 -2.326 13.155 13.155 71 2HB LYS 10 1HB LYS 10 -1.887 11.755 11.755 72 1HG LYS 10 2HG LYS 10 -4.342 12.465 12.465 73 2HG LYS 10 1HG LYS 10 -3.667 14.027 14.027 74 1HD LYS 10 2HD LYS 10 -1.896 13.833 13.833 75 2HD LYS 10 1HD LYS 10 -1.804 12.090 12.090 76 1HE LYS 10 2HE LYS 10 -3.126 11.783 11.783 77 2HE LYS 10 1HE LYS 10 -4.379 12.809 12.809 78 1HZ LYS 10 1HZ LYS 10 -3.750 14.061 14.061 79 2HZ LYS 10 2HZ LYS 10 -2.677 14.679 14.679 80 H ASP 11 H ASP 11 -1.786 9.897 9.897 81 HA ASP 11 HA ASP 11 -3.023 8.150 8.150 82 1HB ASP 11 2HB ASP 11 -0.712 7.914 7.914 83 2HB ASP 11 1HB ASP 11 -1.261 6.464 6.464 84 HD1 ASP 11 2HD ASP 11 -0.677 7.828 7.828 85 H ASN 12 H ASN 12 -3.337 8.564 8.564 86 HA ASN 12 HA ASN 12 -4.248 7.392 7.392 87 1HB ASN 12 2HB ASN 12 -6.328 8.111 8.111 88 2HB ASN 12 1HB ASN 12 -6.178 7.045 7.045 89 1HD2 ASN 12 2HD2 ASN 12 -7.389 5.587 5.587 90 2HD2 ASN 12 1HD2 ASN 12 -6.417 7.013 7.013 91 H ILE 13 H ILE 13 -2.209 5.844 5.844 92 HA ILE 13 HA ILE 13 -3.310 3.150 3.150 93 HB ILE 13 HB ILE 13 -1.404 2.471 2.471 94 1HG1 ILE 13 2HG1 ILE 13 -0.284 4.307 4.307 95 2HG1 ILE 13 3HG1 ILE 13 -0.924 5.456 5.456 96 1HG2 ILE 13 2HG2 ILE 13 -3.832 3.604 3.604 97 2HG2 ILE 13 3HG2 ILE 13 -2.650 4.414 4.414 98 3HG2 ILE 13 1HG2 ILE 13 -2.757 2.638 2.638 99 1HD1 ILE 13 1HD1 ILE 13 0.419 3.124 3.124 100 2HD1 ILE 13 2HD1 ILE 13 1.490 4.145 4.145 101 3HD1 ILE 13 3HD1 ILE 13 0.578 4.859 4.859 102 H CYS 14 H CYS 14 -1.277 1.567 1.567 103 HA CYS 14 HA CYS 14 0.143 2.831 2.831 104 1HB CYS 14 2HB CYS 14 -1.639 1.649 1.649 105 2HB CYS 14 1HB CYS 14 -1.396 0.237 0.237 106 H LYS 15 H LYS 15 2.186 2.904 2.904 107 HA LYS 15 HA LYS 15 3.077 0.543 0.543 108 1HB LYS 15 2HB LYS 15 4.710 1.908 1.908 109 2HB LYS 15 1HB LYS 15 3.286 2.926 2.926 110 1HG LYS 15 2HG LYS 15 4.140 4.215 4.215 111 2HG LYS 15 1HG LYS 15 5.256 2.961 2.961 112 1HD LYS 15 2HD LYS 15 6.027 5.140 5.140 113 2HD LYS 15 1HD LYS 15 6.878 3.609 3.609 114 1HE LYS 15 2HE LYS 15 5.940 2.999 2.999 115 2HE LYS 15 1HE LYS 15 4.541 4.034 4.034 116 1HZ LYS 15 1HZ LYS 15 6.717 5.737 5.737 117 2HZ LYS 15 2HZ LYS 15 7.046 4.685 4.685 118 H TYR 16 H TYR 16 4.712 -0.815 -0.815 119 HA TYR 16 HA TYR 16 6.388 -0.110 -0.110 120 1HB TYR 16 2HB TYR 16 5.399 -1.982 -1.982 121 2HB TYR 16 1HB TYR 16 4.308 -0.626 -0.626 122 HD1 TYR 16 HD1 TYR 16 2.660 -0.852 -0.852 123 HD2 TYR 16 HD2 TYR 16 4.564 -4.127 -4.127 124 HE1 TYR 16 HE1 TYR 16 0.874 -2.433 -2.433 125 HE2 TYR 16 HE2 TYR 16 2.771 -5.697 -5.697 126 HH TYR 16 HH TYR 16 0.832 -5.831 -5.831 127 H LYS 17 H LYS 17 7.368 -2.457 -2.457 128 HA LYS 17 HA LYS 17 8.094 -3.806 -3.806 129 1HB LYS 17 2HB LYS 17 9.704 -2.541 -2.541 130 2HB LYS 17 1HB LYS 17 9.884 -4.246 -4.246 131 1HG LYS 17 2HG LYS 17 10.089 -3.193 -3.193 132 2HG LYS 17 1HG LYS 17 11.477 -3.223 -3.223 133 1HD LYS 17 2HD LYS 17 10.830 -5.752 -5.752 134 2HD LYS 17 1HD LYS 17 9.875 -5.569 -5.569 135 1HE LYS 17 2HE LYS 17 12.057 -4.586 -4.586 136 2HE LYS 17 1HE LYS 17 12.886 -5.269 -5.269 137 1HZ LYS 17 1HZ LYS 17 12.574 -6.718 -6.718 138 2HZ LYS 17 2HZ LYS 17 12.335 -7.425 -7.425 139 H ALA 18 H ALA 18 7.016 -5.684 -5.684 140 HA ALA 18 HA ALA 18 5.679 -6.984 -6.984 141 1HB ALA 18 1HB ALA 18 5.549 -7.045 -7.045 142 2HB ALA 18 2HB ALA 18 6.540 -8.501 -8.501 143 3HB ALA 18 3HB ALA 18 4.935 -8.374 -8.374 144 H GLN 19 H GLN 19 6.113 -9.364 -9.364 145 HA GLN 19 HA GLN 19 8.493 -9.478 -9.478 146 1HB GLN 19 2HB GLN 19 6.164 -10.975 -10.975 147 2HB GLN 19 1HB GLN 19 7.335 -12.111 -12.111 148 1HG GLN 19 2HG GLN 19 8.106 -10.551 -10.551 149 2HG GLN 19 1HG GLN 19 6.918 -11.825 -11.825 150 1HE2 GLN 19 2HE2 GLN 19 10.213 -13.332 -13.332 151 2HE2 GLN 19 1HE2 GLN 19 9.181 -12.125 -12.125 152 H SER 20 H SER 20 7.612 -10.603 -10.603 153 HA SER 20 HA SER 20 10.373 -11.497 -11.497 154 1HB SER 20 2HB SER 20 9.162 -12.599 -12.599 155 2HB SER 20 1HB SER 20 9.274 -13.413 -13.413 156 HG SER 20 HG SER 20 7.087 -13.378 -13.378 157 H GLY 21 H GLY 21 8.477 -8.857 -8.857 158 1HA GLY 21 1HA GLY 21 8.837 -6.996 -6.996 159 2HA GLY 21 2HA GLY 21 10.144 -7.805 -7.805 160 H LYS 22 H LYS 22 7.579 -9.953 -9.953 161 HA LYS 22 HA LYS 22 7.201 -9.612 -9.612 162 1HB LYS 22 2HB LYS 22 6.773 -11.630 -11.630 163 2HB LYS 22 1HB LYS 22 5.152 -10.970 -10.970 164 1HG LYS 22 2HG LYS 22 6.402 -11.272 -11.272 165 2HG LYS 22 1HG LYS 22 5.895 -12.735 -12.735 166 1HD LYS 22 2HD LYS 22 3.612 -12.054 -12.054 167 2HD LYS 22 1HD LYS 22 4.005 -10.367 -10.367 168 1HE LYS 22 2HE LYS 22 4.007 -10.603 -10.603 169 2HE LYS 22 1HE LYS 22 4.953 -12.077 -12.077 170 1HZ LYS 22 1HZ LYS 22 2.659 -13.017 -13.017 171 2HZ LYS 22 2HZ LYS 22 2.045 -11.781 -11.781 172 H THR 23 H THR 23 5.402 -8.378 -8.378 173 HA THR 23 HA THR 23 3.364 -7.205 -7.205 174 HB THR 23 HB THR 23 3.667 -8.020 -8.020 175 HG1 THR 23 1HG THR 23 1.666 -6.323 -6.323 176 1HG2 THR 23 3HG2 THR 23 4.428 -5.442 -5.442 177 2HG2 THR 23 1HG2 THR 23 2.679 -5.163 -5.163 178 3HG2 THR 23 2HG2 THR 23 3.287 -6.129 -6.129 179 H ALA 24 H ALA 24 2.858 -4.735 -4.735 180 HA ALA 24 HA ALA 24 4.760 -2.938 -2.938 181 1HB ALA 24 1HB ALA 24 5.163 -4.074 -4.074 182 2HB ALA 24 2HB ALA 24 5.226 -2.299 -2.299 183 3HB ALA 24 3HB ALA 24 6.326 -3.295 -3.295 184 H ILE 25 H ILE 25 3.363 -1.343 -1.343 185 HA ILE 25 HA ILE 25 1.689 0.091 0.091 186 HB ILE 25 HB ILE 25 1.886 -0.232 -0.232 187 1HG1 ILE 25 2HG1 ILE 25 3.216 2.051 2.051 188 2HG1 ILE 25 3HG1 ILE 25 3.943 0.490 0.490 189 1HG2 ILE 25 1HG2 ILE 25 0.727 1.963 1.963 190 2HG2 ILE 25 2HG2 ILE 25 1.024 2.105 2.105 191 3HG2 ILE 25 3HG2 ILE 25 -0.142 0.907 0.907 192 1HD1 ILE 25 1HD1 ILE 25 3.915 0.041 0.041 193 2HD1 ILE 25 2HD1 ILE 25 3.418 1.736 1.736 194 3HD1 ILE 25 3HD1 ILE 25 4.994 1.358 1.358 195 H CYS 26 H CYS 26 -0.553 0.061 0.061 196 HA CYS 26 HA CYS 26 -2.076 -1.866 -1.866 197 1HB CYS 26 2HB CYS 26 -1.248 -3.375 -3.375 198 2HB CYS 26 1HB CYS 26 -1.579 -2.247 -2.247 199 H LYS 27 H LYS 27 -3.840 -0.628 -0.628 200 HA LYS 27 HA LYS 27 -4.477 1.804 1.804 201 1HB LYS 27 2HB LYS 27 -6.645 -0.247 -0.247 202 2HB LYS 27 1HB LYS 27 -6.663 1.464 1.464 203 1HG LYS 27 2HG LYS 27 -4.522 0.848 0.848 204 2HG LYS 27 1HG LYS 27 -5.188 -0.771 -0.771 205 1HD LYS 27 2HD LYS 27 -6.280 0.011 0.011 206 2HD LYS 27 1HD LYS 27 -7.459 0.454 0.454 207 1HE LYS 27 2HE LYS 27 -7.020 2.722 2.722 208 2HE LYS 27 1HE LYS 27 -5.312 2.479 2.479 209 1HZ LYS 27 1HZ LYS 27 -5.961 1.668 1.668 210 2HZ LYS 27 2HZ LYS 27 -7.509 2.072 2.072 211 H CYS 28 H CYS 28 -5.422 2.863 2.863 212 HA CYS 28 HA CYS 28 -5.648 1.270 1.270 213 1HB CYS 28 2HB CYS 28 -5.568 4.231 4.231 214 2HB CYS 28 1HB CYS 28 -6.023 3.602 3.602 215 H TYR 29 H TYR 29 -7.615 0.741 0.741 216 HA TYR 29 HA TYR 29 -10.007 1.860 1.860 217 1HB TYR 29 2HB TYR 29 -10.882 -0.345 -0.345 218 2HB TYR 29 1HB TYR 29 -9.179 -0.721 -0.721 219 HD1 TYR 29 HD1 TYR 29 -7.811 -1.129 -1.129 220 HD2 TYR 29 HD2 TYR 29 -12.087 -0.981 -0.981 221 HE1 TYR 29 HE1 TYR 29 -7.876 -2.361 -2.361 222 HE2 TYR 29 HE2 TYR 29 -12.137 -2.213 -2.213 223 HH TYR 29 HH TYR 29 -10.441 -3.897 -3.897 224 H VAL 30 H VAL 30 -11.533 2.870 2.870 225 HA VAL 30 HA VAL 30 -12.495 3.763 3.763 226 HB VAL 30 HB VAL 30 -11.450 1.195 1.195 227 1HG1 VAL 30 2HG1 VAL 30 -12.249 3.571 3.571 228 2HG1 VAL 30 3HG1 VAL 30 -13.054 2.050 2.050 229 3HG1 VAL 30 1HG1 VAL 30 -11.277 2.155 2.155 230 1HG2 VAL 30 3HG2 VAL 30 -13.674 1.789 1.789 231 2HG2 VAL 30 1HG2 VAL 30 -13.574 0.449 0.449 232 3HG2 VAL 30 2HG2 VAL 30 -14.297 2.001 2.001 233 H LYS 31 H LYS 31 -9.618 2.395 2.395 234 HA LYS 31 HA LYS 31 -9.072 4.900 4.900 235 1HB LYS 31 2HB LYS 31 -8.083 2.146 2.146 236 2HB LYS 31 1HB LYS 31 -6.806 3.332 3.332 237 1HG LYS 31 2HG LYS 31 -7.659 4.175 4.175 238 2HG LYS 31 1HG LYS 31 -9.325 3.913 3.913 239 1HD LYS 31 2HD LYS 31 -8.065 1.327 1.327 240 2HD LYS 31 1HD LYS 31 -7.642 2.231 2.231 241 1HE LYS 31 2HE LYS 31 -10.470 1.757 1.757 242 2HE LYS 31 1HE LYS 31 -9.756 1.000 1.000 243 1HZ LYS 31 1HZ LYS 31 -11.120 2.908 2.908 244 2HZ LYS 31 2HZ LYS 31 -9.569 3.217 3.217 245 H LYS 32 H LYS 32 -9.182 5.992 5.992 246 HA LYS 32 HA LYS 32 -7.233 5.679 5.679 247 1HB LYS 32 2HB LYS 32 -8.285 7.409 7.409 248 2HB LYS 32 1HB LYS 32 -9.346 7.402 7.402 249 1HG LYS 32 2HG LYS 32 -7.526 8.890 8.890 250 2HG LYS 32 1HG LYS 32 -6.874 9.113 9.113 251 1HD LYS 32 2HD LYS 32 -8.484 10.927 10.927 252 2HD LYS 32 1HD LYS 32 -8.963 10.091 10.091 253 1HE LYS 32 2HE LYS 32 -10.739 8.956 8.956 254 2HE LYS 32 1HE LYS 32 -10.004 9.058 9.058 255 1HZ LYS 32 1HZ LYS 32 -11.946 10.703 10.703 256 2HZ LYS 32 2HZ LYS 32 -10.873 11.123 11.123 257 H CYS 33 H CYS 33 -5.364 7.235 7.235 258 HA CYS 33 HA CYS 33 -3.554 7.041 7.041 259 1HB CYS 33 2HB CYS 33 -2.761 6.799 6.799 260 2HB CYS 33 1HB CYS 33 -3.387 8.368 8.368 261 HA PRO 34 HA PRO 34 -4.492 10.902 10.902 262 1HB PRO 34 2HB PRO 34 -2.410 11.073 11.073 263 2HB PRO 34 1HB PRO 34 -3.865 10.151 10.151 264 1HG PRO 34 2HG PRO 34 -1.177 9.171 9.171 265 2HG PRO 34 1HG PRO 34 -2.504 8.289 8.289 266 1HD PRO 34 2HD PRO 34 -1.672 8.181 8.181 267 2HD PRO 34 1HD PRO 34 -3.068 7.389 7.389 268 H ARG 35 H ARG 35 -1.304 10.318 10.318 269 HA ARG 35 HA ARG 35 -1.371 12.604 12.604 270 1HB ARG 35 2HB ARG 35 0.462 13.930 13.930 271 2HB ARG 35 1HB ARG 35 -1.129 13.981 13.981 272 1HG ARG 35 2HG ARG 35 -0.187 11.804 11.804 273 2HG ARG 35 1HG ARG 35 1.353 12.559 12.559 274 1HD ARG 35 2HD ARG 35 0.623 14.657 14.657 275 2HD ARG 35 1HD ARG 35 -0.973 13.988 13.988 276 HE ARG 35 HE ARG 35 0.564 12.120 12.120 277 1HH1 ARG 35 2HH2 ARG 35 0.688 15.658 15.658 278 2HH1 ARG 35 1HH2 ARG 35 1.311 15.688 15.688 279 HH2 ARG 35 1HH ARG 35 1.714 13.620 13.620 280 H ASP 36 H ASP 36 0.506 12.704 12.704 281 HA ASP 36 HA ASP 36 1.694 10.451 10.451 282 1HB ASP 36 2HB ASP 36 2.212 12.159 12.159 283 2HB ASP 36 1HB ASP 36 2.477 13.328 13.328 284 HD2 ASP 36 2HD ASP 36 5.518 12.157 12.157 285 H GLY 37 H GLY 37 3.478 9.173 9.173 286 1HA GLY 37 1HA GLY 37 5.419 8.710 8.710 287 2HA GLY 37 2HA GLY 37 5.308 10.238 10.238 288 H ALA 38 H ALA 38 2.317 9.651 9.651 289 HA ALA 38 HA ALA 38 2.436 8.903 8.903 290 1HB ALA 38 2HB ALA 38 0.363 8.448 8.448 291 2HB ALA 38 3HB ALA 38 0.072 7.892 7.892 292 3HB ALA 38 1HB ALA 38 0.355 9.619 9.619 293 H LYS 39 H LYS 39 3.167 7.171 7.171 294 HA LYS 39 HA LYS 39 4.002 4.846 4.846 295 1HB LYS 39 2HB LYS 39 5.172 5.774 5.774 296 2HB LYS 39 1HB LYS 39 3.789 5.401 5.401 297 1HG LYS 39 2HG LYS 39 4.766 3.107 3.107 298 2HG LYS 39 1HG LYS 39 5.920 3.693 3.693 299 1HD LYS 39 2HD LYS 39 3.535 3.667 3.667 300 2HD LYS 39 1HD LYS 39 3.360 2.264 2.264 301 1HE LYS 39 2HE LYS 39 4.562 1.235 1.235 302 2HE LYS 39 1HE LYS 39 5.932 1.869 1.869 303 1HZ LYS 39 1HZ LYS 39 6.089 3.699 3.699 304 2HZ LYS 39 2HZ LYS 39 4.631 3.424 3.424 305 H CYS 40 H CYS 40 3.178 2.692 2.692 306 HA CYS 40 HA CYS 40 0.642 2.333 2.333 307 1HB CYS 40 2HB CYS 40 -0.150 3.266 3.266 308 2HB CYS 40 1HB CYS 40 0.888 2.219 2.219 309 H GLU 41 H GLU 41 0.008 -0.063 -0.063 310 HA GLU 41 HA GLU 41 2.335 -1.689 -1.689 311 1HB GLU 41 2HB GLU 41 1.330 -3.066 -3.066 312 2HB GLU 41 1HB GLU 41 2.622 -1.890 -1.890 313 1HG GLU 41 2HG GLU 41 -0.279 -1.009 -1.009 314 2HG GLU 41 1HG GLU 41 0.532 -1.675 -1.675 315 HE2 GLU 41 2HE GLU 41 -0.188 0.770 0.770 316 H PHE 42 H PHE 42 1.869 -3.630 -3.630 317 HA PHE 42 HA PHE 42 -0.950 -4.003 -4.003 318 1HB PHE 42 2HB PHE 42 0.733 -3.775 -3.775 319 2HB PHE 42 1HB PHE 42 1.725 -5.029 -5.029 320 HD1 PHE 42 1HD PHE 42 0.884 -7.395 -7.395 321 HD2 PHE 42 2HD PHE 42 -1.059 -4.317 -4.317 322 HE1 PHE 42 1HE PHE 42 -0.296 -9.123 -9.123 323 HE2 PHE 42 2HE PHE 42 -2.239 -6.044 -6.044 324 HZ PHE 42 HZ PHE 42 -1.844 -8.426 -8.426 325 H ASP 43 H ASP 43 -2.036 -5.416 -5.416 326 HA ASP 43 HA ASP 43 -0.616 -7.353 -7.353 327 1HB ASP 43 2HB ASP 43 -3.014 -6.080 -6.080 328 2HB ASP 43 1HB ASP 43 -3.584 -7.588 -7.588 329 HD2 ASP 43 2HD ASP 43 -3.176 -7.609 -7.609 330 H SER 44 H SER 44 -0.390 -9.585 -9.585 331 HA SER 44 HA SER 44 -1.303 -10.345 -10.345 332 1HB SER 44 2HB SER 44 0.403 -11.971 -11.971 333 2HB SER 44 1HB SER 44 1.123 -10.638 -10.638 334 HG SER 44 HG SER 44 0.436 -13.202 -13.202 335 H TYR 45 H TYR 45 -2.250 -10.575 -10.575 336 HA TYR 45 HA TYR 45 -3.184 -13.213 -13.213 337 1HB TYR 45 2HB TYR 45 -4.123 -12.355 -12.355 338 2HB TYR 45 1HB TYR 45 -2.861 -11.178 -11.178 339 HD1 TYR 45 HD1 TYR 45 -4.056 -9.510 -9.510 340 HD2 TYR 45 HD2 TYR 45 -5.835 -11.183 -11.183 341 HE1 TYR 45 HE1 TYR 45 -5.792 -7.653 -7.653 342 HE2 TYR 45 HE2 TYR 45 -7.566 -9.321 -9.321 343 HH TYR 45 HH TYR 45 -8.489 -7.721 -7.721 344 H LYS 46 H LYS 46 -4.185 -10.620 -10.620 345 HA LYS 46 HA LYS 46 -6.571 -12.107 -12.107 346 1HB LYS 46 2HB LYS 46 -6.648 -9.248 -9.248 347 2HB LYS 46 1HB LYS 46 -7.924 -9.959 -9.959 348 1HG LYS 46 2HG LYS 46 -7.767 -11.913 -11.913 349 2HG LYS 46 1HG LYS 46 -7.072 -10.637 -10.637 350 1HD LYS 46 2HD LYS 46 -9.083 -9.594 -9.594 351 2HD LYS 46 1HD LYS 46 -9.477 -9.721 -9.721 352 1HE LYS 46 2HE LYS 46 -9.899 -12.271 -12.271 353 2HE LYS 46 1HE LYS 46 -9.954 -11.764 -11.764 354 1HZ LYS 46 1HZ LYS 46 -12.154 -11.541 -11.541 355 2HZ LYS 46 2HZ LYS 46 -11.630 -10.012 -10.012 356 H GLY 47 H GLY 47 -4.725 -9.027 -9.027 357 1HA GLY 47 1HA GLY 47 -3.432 -8.902 -8.902 358 2HA GLY 47 2HA GLY 47 -4.738 -9.723 -9.723 359 H LYS 48 H LYS 48 -4.933 -7.073 -7.073 360 HA LYS 48 HA LYS 48 -6.383 -5.512 -5.512 361 1HB LYS 48 2HB LYS 48 -6.892 -6.141 -6.141 362 2HB LYS 48 1HB LYS 48 -6.691 -4.408 -4.408 363 1HG LYS 48 2HG LYS 48 -8.893 -4.447 -4.447 364 2HG LYS 48 1HG LYS 48 -8.247 -4.892 -4.892 365 1HD LYS 48 2HD LYS 48 -9.967 -6.504 -6.504 366 2HD LYS 48 1HD LYS 48 -8.434 -7.336 -7.336 367 1HE LYS 48 2HE LYS 48 -9.382 -7.983 -7.983 368 2HE LYS 48 1HE LYS 48 -8.656 -6.482 -6.482 369 1HZ LYS 48 1HZ LYS 48 -11.440 -6.619 -6.619 370 2HZ LYS 48 2HZ LYS 48 -11.075 -6.749 -6.749 371 H CYS 49 H CYS 49 -6.125 -2.996 -2.996 372 HA CYS 49 HA CYS 49 -3.246 -2.561 -2.561 373 1HB CYS 49 2HB CYS 49 -3.518 -1.861 -1.861 374 2HB CYS 49 1HB CYS 49 -5.211 -1.463 -1.463 375 H TYR 50 H TYR 50 -3.236 -2.160 -2.160 376 HA TYR 50 HA TYR 50 -5.250 -0.514 -0.514 377 1HB TYR 50 2HB TYR 50 -2.635 -1.919 -1.919 378 2HB TYR 50 1HB TYR 50 -3.260 -0.738 -0.738 379 HD1 TYR 50 HD2 TYR 50 -4.504 -3.689 -3.689 380 HD2 TYR 50 HD1 TYR 50 -4.609 -1.517 -1.517 381 HE1 TYR 50 HE2 TYR 50 -6.034 -5.453 -5.453 382 HE2 TYR 50 HE1 TYR 50 -6.138 -3.289 -3.289 383 HH TYR 50 HH TYR 50 -7.193 -5.138 -5.138 384 H CYS 51 H CYS 51 -4.375 1.061 1.061 385 HA CYS 51 HA CYS 51 -2.199 2.694 2.694 386 1HB CYS 51 2HB CYS 51 -4.020 2.990 2.990 387 2HB CYS 51 1HB CYS 51 -2.636 4.007 4.007 Start of MODEL 37 1 H ALA 1 H ALA 1 2.865 -12.149 -12.149 2 HA ALA 1 HA ALA 1 4.891 -11.361 -11.361 3 1HB ALA 1 1HB ALA 1 2.396 -12.939 -12.939 4 2HB ALA 1 2HB ALA 1 2.946 -12.275 -12.275 5 3HB ALA 1 3HB ALA 1 4.029 -13.314 -13.314 6 H THR 2 H THR 2 3.368 -9.037 -9.037 7 HA THR 2 HA THR 2 2.095 -7.834 -7.834 8 HB THR 2 HB THR 2 2.766 -6.397 -6.397 9 HG1 THR 2 1HG THR 2 1.593 -7.942 -7.942 10 1HG2 THR 2 1HG2 THR 2 1.088 -5.828 -5.828 11 2HG2 THR 2 2HG2 THR 2 -0.024 -6.592 -6.592 12 3HG2 THR 2 3HG2 THR 2 0.905 -5.149 -5.149 13 H TYR 3 H TYR 3 2.803 -6.000 -6.000 14 HA TYR 3 HA TYR 3 5.717 -5.672 -5.672 15 1HB TYR 3 2HB TYR 3 3.762 -4.784 -4.784 16 2HB TYR 3 1HB TYR 3 5.468 -5.136 -5.136 17 HD1 TYR 3 HD1 TYR 3 5.288 -7.797 -7.797 18 HD2 TYR 3 HD2 TYR 3 3.081 -6.231 -6.231 19 HE1 TYR 3 HE1 TYR 3 4.716 -10.159 -10.159 20 HE2 TYR 3 HE2 TYR 3 2.517 -8.599 -8.599 21 HH TYR 3 HH TYR 3 2.946 -10.721 -10.721 22 H ASN 4 H ASN 4 6.316 -3.349 -3.349 23 HA ASN 4 HA ASN 4 4.521 -1.381 -1.381 24 1HB ASN 4 2HB ASN 4 7.496 -1.010 -1.010 25 2HB ASN 4 1HB ASN 4 6.172 -0.375 -0.375 26 1HD2 ASN 4 2HD2 ASN 4 5.584 -3.400 -3.400 27 2HD2 ASN 4 1HD2 ASN 4 4.771 -2.090 -2.090 28 H GLY 5 H GLY 5 4.848 0.786 0.786 29 1HA GLY 5 1HA GLY 5 6.870 1.324 1.324 30 2HA GLY 5 2HA GLY 5 5.449 0.730 0.730 31 H LYS 6 H LYS 6 4.780 2.663 2.663 32 HA LYS 6 HA LYS 6 3.613 4.581 4.581 33 1HB LYS 6 2HB LYS 6 5.624 5.349 5.349 34 2HB LYS 6 1HB LYS 6 4.594 6.483 6.483 35 1HG LYS 6 2HG LYS 6 5.567 5.693 5.693 36 2HG LYS 6 1HG LYS 6 6.630 4.614 4.614 37 1HD LYS 6 2HD LYS 6 7.247 6.894 6.894 38 2HD LYS 6 1HD LYS 6 6.700 7.621 7.621 39 1HE LYS 6 2HE LYS 6 8.389 6.555 6.555 40 2HE LYS 6 1HE LYS 6 8.661 5.308 5.308 41 1HZ LYS 6 1HZ LYS 6 10.336 6.616 6.616 42 2HZ LYS 6 2HZ LYS 6 9.231 7.642 7.642 43 H CYS 7 H CYS 7 1.803 5.689 5.689 44 HA CYS 7 HA CYS 7 0.967 4.583 4.583 45 1HB CYS 7 2HB CYS 7 -1.332 4.738 4.738 46 2HB CYS 7 1HB CYS 7 -0.384 3.693 3.693 47 H TYR 8 H TYR 8 -0.295 6.096 6.096 48 HA TYR 8 HA TYR 8 0.333 8.896 8.896 49 1HB TYR 8 2HB TYR 8 -0.197 7.489 7.489 50 2HB TYR 8 1HB TYR 8 0.410 9.122 9.122 51 HD1 TYR 8 HD1 TYR 8 2.255 8.012 8.012 52 HD2 TYR 8 HD2 TYR 8 1.758 7.077 7.077 53 HE1 TYR 8 HE1 TYR 8 4.639 7.135 7.135 54 HE2 TYR 8 HE2 TYR 8 4.144 6.203 6.203 55 HH TYR 8 HH TYR 8 6.280 6.534 6.534 56 H LYS 9 H LYS 9 -1.287 10.447 10.447 57 HA LYS 9 HA LYS 9 -3.962 9.417 9.417 58 1HB LYS 9 2HB LYS 9 -4.577 11.705 11.705 59 2HB LYS 9 1HB LYS 9 -3.263 11.123 11.123 60 1HG LYS 9 2HG LYS 9 -2.414 13.210 13.210 61 2HG LYS 9 1HG LYS 9 -1.731 12.249 12.249 62 1HD LYS 9 2HD LYS 9 -2.687 13.917 13.917 63 2HD LYS 9 1HD LYS 9 -4.069 12.842 12.842 64 1HE LYS 9 2HE LYS 9 -5.246 14.237 14.237 65 2HE LYS 9 1HE LYS 9 -3.809 14.762 14.762 66 1HZ LYS 9 1HZ LYS 9 -3.790 15.660 15.660 67 2HZ LYS 9 2HZ LYS 9 -5.122 16.188 16.188 68 H LYS 10 H LYS 10 -1.975 11.582 11.582 69 HA LYS 10 HA LYS 10 -3.944 12.256 12.256 70 1HB LYS 10 2HB LYS 10 -1.251 12.733 12.733 71 2HB LYS 10 1HB LYS 10 -1.283 11.769 11.769 72 1HG LYS 10 2HG LYS 10 -2.689 13.311 13.311 73 2HG LYS 10 1HG LYS 10 -3.252 14.052 14.052 74 1HD LYS 10 2HD LYS 10 -1.643 15.632 15.632 75 2HD LYS 10 1HD LYS 10 -0.427 14.391 14.391 76 1HE LYS 10 2HE LYS 10 0.257 14.752 14.752 77 2HE LYS 10 1HE LYS 10 -1.257 14.063 14.063 78 1HZ LYS 10 1HZ LYS 10 -1.946 16.609 16.609 79 2HZ LYS 10 2HZ LYS 10 -0.462 16.824 16.824 80 H ASP 11 H ASP 11 -1.951 9.278 9.278 81 HA ASP 11 HA ASP 11 -3.367 8.257 8.257 82 1HB ASP 11 2HB ASP 11 -0.891 7.381 7.381 83 2HB ASP 11 1HB ASP 11 -1.687 6.280 6.280 84 HD1 ASP 11 2HD ASP 11 -0.724 9.305 9.305 85 H ASN 12 H ASN 12 -3.617 8.435 8.435 86 HA ASN 12 HA ASN 12 -4.443 7.184 7.184 87 1HB ASN 12 2HB ASN 12 -6.405 7.816 7.816 88 2HB ASN 12 1HB ASN 12 -6.489 6.078 6.078 89 1HD2 ASN 12 2HD2 ASN 12 -8.705 5.908 5.908 90 2HD2 ASN 12 1HD2 ASN 12 -8.353 5.634 5.634 91 H ILE 13 H ILE 13 -2.293 5.768 5.768 92 HA ILE 13 HA ILE 13 -3.285 3.018 3.018 93 HB ILE 13 HB ILE 13 -1.391 2.490 2.490 94 1HG1 ILE 13 2HG1 ILE 13 -0.939 4.492 4.492 95 2HG1 ILE 13 3HG1 ILE 13 -1.422 5.496 5.496 96 1HG2 ILE 13 3HG2 ILE 13 -4.062 3.499 3.499 97 2HG2 ILE 13 1HG2 ILE 13 -2.987 3.824 3.824 98 3HG2 ILE 13 2HG2 ILE 13 -3.186 2.160 2.160 99 1HD1 ILE 13 3HD1 ILE 13 0.351 3.560 3.560 100 2HD1 ILE 13 1HD1 ILE 13 1.092 4.103 4.103 101 3HD1 ILE 13 2HD1 ILE 13 0.673 5.291 5.291 102 H CYS 14 H CYS 14 -1.733 1.467 1.467 103 HA CYS 14 HA CYS 14 0.008 2.823 2.823 104 1HB CYS 14 2HB CYS 14 -1.542 1.469 1.469 105 2HB CYS 14 1HB CYS 14 -1.362 0.144 0.144 106 H LYS 15 H LYS 15 2.085 3.008 3.008 107 HA LYS 15 HA LYS 15 3.054 0.922 0.922 108 1HB LYS 15 2HB LYS 15 3.185 3.562 3.562 109 2HB LYS 15 1HB LYS 15 4.633 3.375 3.375 110 1HG LYS 15 2HG LYS 15 4.330 1.381 1.381 111 2HG LYS 15 1HG LYS 15 4.539 3.038 3.038 112 1HD LYS 15 2HD LYS 15 6.402 2.480 2.480 113 2HD LYS 15 1HD LYS 15 6.553 1.238 1.238 114 1HE LYS 15 2HE LYS 15 6.314 3.828 3.828 115 2HE LYS 15 1HE LYS 15 7.568 3.917 3.917 116 1HZ LYS 15 1HZ LYS 15 8.241 1.619 1.619 117 2HZ LYS 15 2HZ LYS 15 7.480 2.238 2.238 118 H TYR 16 H TYR 16 4.523 -0.602 -0.602 119 HA TYR 16 HA TYR 16 6.320 -0.151 -0.151 120 1HB TYR 16 2HB TYR 16 5.289 -2.039 -2.039 121 2HB TYR 16 1HB TYR 16 4.226 -0.650 -0.650 122 HD1 TYR 16 HD1 TYR 16 2.600 -0.757 -0.757 123 HD2 TYR 16 HD2 TYR 16 4.329 -4.125 -4.125 124 HE1 TYR 16 HE1 TYR 16 0.759 -2.253 -2.253 125 HE2 TYR 16 HE2 TYR 16 2.482 -5.609 -5.609 126 HH TYR 16 HH TYR 16 -0.309 -4.532 -4.532 127 H LYS 17 H LYS 17 7.788 -2.021 -2.021 128 HA LYS 17 HA LYS 17 8.555 -3.138 -3.138 129 1HB LYS 17 2HB LYS 17 9.275 -3.509 -3.509 130 2HB LYS 17 1HB LYS 17 9.777 -4.760 -4.760 131 1HG LYS 17 2HG LYS 17 10.384 -1.777 -1.777 132 2HG LYS 17 1HG LYS 17 11.529 -3.028 -3.028 133 1HD LYS 17 2HD LYS 17 10.677 -4.089 -4.089 134 2HD LYS 17 1HD LYS 17 10.330 -2.407 -2.407 135 1HE LYS 17 2HE LYS 17 12.695 -1.805 -1.805 136 2HE LYS 17 1HE LYS 17 13.038 -3.493 -3.493 137 1HZ LYS 17 1HZ LYS 17 12.014 -2.588 -2.588 138 2HZ LYS 17 2HZ LYS 17 13.608 -2.678 -2.678 139 H ALA 18 H ALA 18 8.207 -5.596 -5.596 140 HA ALA 18 HA ALA 18 5.844 -6.729 -6.729 141 1HB ALA 18 2HB ALA 18 7.344 -6.991 -6.991 142 2HB ALA 18 3HB ALA 18 6.336 -8.350 -8.350 143 3HB ALA 18 1HB ALA 18 5.604 -6.749 -6.749 144 H GLN 19 H GLN 19 5.848 -9.098 -9.098 145 HA GLN 19 HA GLN 19 7.802 -9.710 -9.710 146 1HB GLN 19 2HB GLN 19 5.445 -10.753 -10.753 147 2HB GLN 19 1HB GLN 19 6.252 -11.837 -11.837 148 1HG GLN 19 2HG GLN 19 7.419 -12.943 -12.943 149 2HG GLN 19 1HG GLN 19 7.523 -11.521 -11.521 150 1HE2 GLN 19 2HE2 GLN 19 5.234 -13.304 -13.304 151 2HE2 GLN 19 1HE2 GLN 19 6.899 -12.918 -12.918 152 H SER 20 H SER 20 7.915 -9.829 -9.829 153 HA SER 20 HA SER 20 10.529 -11.035 -11.035 154 1HB SER 20 2HB SER 20 9.726 -12.229 -12.229 155 2HB SER 20 1HB SER 20 9.664 -13.016 -13.016 156 HG SER 20 HG SER 20 7.635 -13.093 -13.093 157 H GLY 21 H GLY 21 9.063 -8.346 -8.346 158 1HA GLY 21 1HA GLY 21 9.394 -6.553 -6.553 159 2HA GLY 21 2HA GLY 21 10.862 -7.323 -7.323 160 H LYS 22 H LYS 22 7.773 -9.015 -9.015 161 HA LYS 22 HA LYS 22 8.085 -8.790 -8.790 162 1HB LYS 22 2HB LYS 22 7.713 -10.973 -10.973 163 2HB LYS 22 1HB LYS 22 6.038 -10.469 -10.469 164 1HG LYS 22 2HG LYS 22 6.404 -10.075 -10.075 165 2HG LYS 22 1HG LYS 22 7.644 -11.289 -11.289 166 1HD LYS 22 2HD LYS 22 5.688 -12.551 -12.551 167 2HD LYS 22 1HD LYS 22 4.654 -11.534 -11.534 168 1HE LYS 22 2HE LYS 22 6.801 -12.747 -12.747 169 2HE LYS 22 1HE LYS 22 5.852 -13.969 -13.969 170 1HZ LYS 22 1HZ LYS 22 3.891 -13.210 -13.210 171 2HZ LYS 22 2HZ LYS 22 4.532 -11.782 -11.782 172 H THR 23 H THR 23 5.731 -8.050 -8.050 173 HA THR 23 HA THR 23 3.772 -7.008 -7.008 174 HB THR 23 HB THR 23 4.035 -7.708 -7.708 175 HG1 THR 23 1HG THR 23 1.707 -7.253 -7.253 176 1HG2 THR 23 3HG2 THR 23 4.527 -5.036 -5.036 177 2HG2 THR 23 1HG2 THR 23 2.755 -4.983 -4.983 178 3HG2 THR 23 2HG2 THR 23 3.498 -5.828 -5.828 179 H ALA 24 H ALA 24 2.986 -4.571 -4.571 180 HA ALA 24 HA ALA 24 4.798 -2.612 -2.612 181 1HB ALA 24 3HB ALA 24 5.082 -3.739 -3.739 182 2HB ALA 24 1HB ALA 24 4.910 -1.968 -1.968 183 3HB ALA 24 2HB ALA 24 6.220 -2.763 -2.763 184 H ILE 25 H ILE 25 3.462 -0.961 -0.961 185 HA ILE 25 HA ILE 25 1.697 0.362 0.362 186 HB ILE 25 HB ILE 25 1.310 -0.252 -0.252 187 1HG1 ILE 25 2HG1 ILE 25 3.079 1.950 1.950 188 2HG1 ILE 25 3HG1 ILE 25 3.718 0.343 0.343 189 1HG2 ILE 25 1HG2 ILE 25 0.503 2.016 2.016 190 2HG2 ILE 25 2HG2 ILE 25 0.618 2.217 2.217 191 3HG2 ILE 25 3HG2 ILE 25 -0.508 1.023 1.023 192 1HD1 ILE 25 1HD1 ILE 25 2.800 0.452 0.452 193 2HD1 ILE 25 2HD1 ILE 25 2.357 2.147 2.147 194 3HD1 ILE 25 3HD1 ILE 25 4.067 1.654 1.654 195 H CYS 26 H CYS 26 -0.506 0.266 0.266 196 HA CYS 26 HA CYS 26 -2.064 -1.938 -1.938 197 1HB CYS 26 2HB CYS 26 -0.905 -3.131 -3.131 198 2HB CYS 26 1HB CYS 26 -1.147 -1.842 -1.842 199 H LYS 27 H LYS 27 -3.756 -0.609 -0.609 200 HA LYS 27 HA LYS 27 -4.449 1.814 1.814 201 1HB LYS 27 2HB LYS 27 -5.568 0.685 0.685 202 2HB LYS 27 1HB LYS 27 -6.297 -0.475 -0.475 203 1HG LYS 27 2HG LYS 27 -7.653 1.249 1.249 204 2HG LYS 27 1HG LYS 27 -6.778 2.527 2.527 205 1HD LYS 27 2HD LYS 27 -9.092 1.831 1.831 206 2HD LYS 27 1HD LYS 27 -7.769 2.052 2.052 207 1HE LYS 27 2HE LYS 27 -7.488 -0.271 -0.271 208 2HE LYS 27 1HE LYS 27 -8.228 -0.695 -0.695 209 1HZ LYS 27 1HZ LYS 27 -9.761 -1.143 -1.143 210 2HZ LYS 27 2HZ LYS 27 -10.376 0.083 0.083 211 H CYS 28 H CYS 28 -5.908 2.768 2.768 212 HA CYS 28 HA CYS 28 -5.811 1.301 1.301 213 1HB CYS 28 2HB CYS 28 -5.546 4.042 4.042 214 2HB CYS 28 1HB CYS 28 -6.931 3.906 3.906 215 H TYR 29 H TYR 29 -7.548 -0.138 -0.138 216 HA TYR 29 HA TYR 29 -10.131 0.774 0.774 217 1HB TYR 29 2HB TYR 29 -10.282 -1.513 -1.513 218 2HB TYR 29 1HB TYR 29 -8.618 -1.641 -1.641 219 HD1 TYR 29 HD1 TYR 29 -8.096 -2.286 -2.286 220 HD2 TYR 29 HD2 TYR 29 -12.110 -2.244 -2.244 221 HE1 TYR 29 HE1 TYR 29 -8.844 -3.711 -3.711 222 HE2 TYR 29 HE2 TYR 29 -12.845 -3.669 -3.669 223 HH TYR 29 HH TYR 29 -10.745 -5.356 -5.356 224 H VAL 30 H VAL 30 -8.564 1.547 1.547 225 HA VAL 30 HA VAL 30 -10.847 0.964 0.964 226 HB VAL 30 HB VAL 30 -9.026 1.525 1.525 227 1HG1 VAL 30 3HG1 VAL 30 -9.781 -0.949 -0.949 228 2HG1 VAL 30 1HG1 VAL 30 -8.194 -1.050 -1.050 229 3HG1 VAL 30 2HG1 VAL 30 -9.638 -0.603 -0.603 230 1HG2 VAL 30 3HG2 VAL 30 -7.414 2.080 2.080 231 2HG2 VAL 30 1HG2 VAL 30 -6.798 1.294 1.294 232 3HG2 VAL 30 2HG2 VAL 30 -7.137 0.322 0.322 233 H LYS 31 H LYS 31 -8.398 3.232 3.232 234 HA LYS 31 HA LYS 31 -10.302 5.398 5.398 235 1HB LYS 31 2HB LYS 31 -9.200 4.548 4.548 236 2HB LYS 31 1HB LYS 31 -8.196 5.919 5.919 237 1HG LYS 31 2HG LYS 31 -10.436 7.167 7.167 238 2HG LYS 31 1HG LYS 31 -11.217 5.857 5.857 239 1HD LYS 31 2HD LYS 31 -8.857 7.085 7.085 240 2HD LYS 31 1HD LYS 31 -10.263 8.119 8.119 241 1HE LYS 31 2HE LYS 31 -11.619 6.063 6.063 242 2HE LYS 31 1HE LYS 31 -10.061 5.431 5.431 243 1HZ LYS 31 1HZ LYS 31 -9.915 6.961 6.961 244 2HZ LYS 31 2HZ LYS 31 -10.486 8.192 8.192 245 H LYS 32 H LYS 32 -9.754 6.930 6.930 246 HA LYS 32 HA LYS 32 -7.697 6.779 6.779 247 1HB LYS 32 2HB LYS 32 -9.630 8.335 8.335 248 2HB LYS 32 1HB LYS 32 -8.877 9.359 9.359 249 1HG LYS 32 2HG LYS 32 -6.785 9.149 9.149 250 2HG LYS 32 1HG LYS 32 -8.093 8.899 8.899 251 1HD LYS 32 2HD LYS 32 -7.457 11.315 11.315 252 2HD LYS 32 1HD LYS 32 -9.136 11.026 11.026 253 1HE LYS 32 2HE LYS 32 -8.780 11.354 11.354 254 2HE LYS 32 1HE LYS 32 -7.083 10.926 10.926 255 1HZ LYS 32 1HZ LYS 32 -8.337 13.466 13.466 256 2HZ LYS 32 2HZ LYS 32 -7.113 13.257 13.257 257 H CYS 33 H CYS 33 -5.576 7.688 7.688 258 HA CYS 33 HA CYS 33 -4.094 7.542 7.542 259 1HB CYS 33 2HB CYS 33 -3.031 8.709 8.709 260 2HB CYS 33 1HB CYS 33 -2.186 7.793 7.793 261 HA PRO 34 HA PRO 34 -4.271 11.751 11.751 262 1HB PRO 34 2HB PRO 34 -2.052 11.973 11.973 263 2HB PRO 34 1HB PRO 34 -3.565 11.292 11.292 264 1HG PRO 34 2HG PRO 34 -1.060 9.898 9.898 265 2HG PRO 34 1HG PRO 34 -2.411 9.309 9.309 266 1HD PRO 34 2HD PRO 34 -1.811 8.648 8.648 267 2HD PRO 34 1HD PRO 34 -3.222 8.152 8.152 268 H ARG 35 H ARG 35 -0.999 10.788 10.788 269 HA ARG 35 HA ARG 35 -1.004 12.670 12.670 270 1HB ARG 35 2HB ARG 35 0.751 14.204 14.204 271 2HB ARG 35 1HB ARG 35 -0.663 14.269 14.269 272 1HG ARG 35 2HG ARG 35 0.949 12.168 12.168 273 2HG ARG 35 1HG ARG 35 2.063 13.467 13.467 274 1HD ARG 35 2HD ARG 35 0.270 15.009 15.009 275 2HD ARG 35 1HD ARG 35 -0.302 13.506 13.506 276 HE ARG 35 HE ARG 35 2.547 13.623 13.623 277 1HH1 ARG 35 2HH2 ARG 35 -0.378 15.160 15.160 278 2HH1 ARG 35 1HH2 ARG 35 0.345 15.552 15.552 279 HH2 ARG 35 1HH ARG 35 2.626 14.944 14.944 280 H ASP 36 H ASP 36 0.773 12.271 12.271 281 HA ASP 36 HA ASP 36 1.802 9.872 9.872 282 1HB ASP 36 2HB ASP 36 3.114 10.751 10.751 283 2HB ASP 36 1HB ASP 36 2.214 12.216 12.216 284 HD2 ASP 36 2HD ASP 36 4.954 13.909 13.909 285 H GLY 37 H GLY 37 3.231 8.587 8.587 286 1HA GLY 37 1HA GLY 37 5.374 8.373 8.373 287 2HA GLY 37 2HA GLY 37 5.164 9.960 9.960 288 H ALA 38 H ALA 38 2.178 9.303 9.303 289 HA ALA 38 HA ALA 38 2.251 8.729 8.729 290 1HB ALA 38 1HB ALA 38 0.276 9.420 9.420 291 2HB ALA 38 2HB ALA 38 0.117 7.720 7.720 292 3HB ALA 38 3HB ALA 38 -0.090 8.164 8.164 293 H LYS 39 H LYS 39 3.089 7.081 7.081 294 HA LYS 39 HA LYS 39 3.985 4.721 4.721 295 1HB LYS 39 2HB LYS 39 4.876 5.693 5.693 296 2HB LYS 39 1HB LYS 39 3.374 5.332 5.332 297 1HG LYS 39 2HG LYS 39 3.786 2.858 2.858 298 2HG LYS 39 1HG LYS 39 5.433 3.384 3.384 299 1HD LYS 39 2HD LYS 39 4.663 4.357 4.357 300 2HD LYS 39 1HD LYS 39 4.189 2.672 2.672 301 1HE LYS 39 2HE LYS 39 6.676 2.485 2.485 302 2HE LYS 39 1HE LYS 39 6.933 3.882 3.882 303 1HZ LYS 39 1HZ LYS 39 7.049 2.496 2.496 304 2HZ LYS 39 2HZ LYS 39 5.533 1.956 1.956 305 H CYS 40 H CYS 40 3.204 2.536 2.536 306 HA CYS 40 HA CYS 40 0.565 2.094 2.094 307 1HB CYS 40 2HB CYS 40 -0.131 3.061 3.061 308 2HB CYS 40 1HB CYS 40 1.061 2.163 2.163 309 H GLU 41 H GLU 41 0.009 -0.309 -0.309 310 HA GLU 41 HA GLU 41 2.365 -1.881 -1.881 311 1HB GLU 41 2HB GLU 41 1.504 -3.286 -3.286 312 2HB GLU 41 1HB GLU 41 2.725 -2.035 -2.035 313 1HG GLU 41 2HG GLU 41 -0.247 -1.435 -1.435 314 2HG GLU 41 1HG GLU 41 0.760 -1.898 -1.898 315 HE1 GLU 41 2HE GLU 41 2.758 0.596 0.596 316 H PHE 42 H PHE 42 1.897 -3.881 -3.881 317 HA PHE 42 HA PHE 42 -0.925 -4.255 -4.255 318 1HB PHE 42 2HB PHE 42 0.738 -4.126 -4.126 319 2HB PHE 42 1HB PHE 42 1.750 -5.326 -5.326 320 HD1 PHE 42 1HD PHE 42 0.910 -7.700 -7.700 321 HD2 PHE 42 2HD PHE 42 -1.014 -4.770 -4.770 322 HE1 PHE 42 1HE PHE 42 -0.246 -9.514 -9.514 323 HE2 PHE 42 2HE PHE 42 -2.171 -6.584 -6.584 324 HZ PHE 42 HZ PHE 42 -1.773 -8.935 -8.935 325 H ASP 43 H ASP 43 -2.090 -5.742 -5.742 326 HA ASP 43 HA ASP 43 -0.681 -7.600 -7.600 327 1HB ASP 43 2HB ASP 43 -3.585 -6.865 -6.865 328 2HB ASP 43 1HB ASP 43 -3.205 -8.342 -8.342 329 HD2 ASP 43 2HD ASP 43 -4.241 -7.120 -7.120 330 H SER 44 H SER 44 -0.520 -9.860 -9.860 331 HA SER 44 HA SER 44 -1.405 -10.669 -10.669 332 1HB SER 44 2HB SER 44 0.244 -12.369 -12.369 333 2HB SER 44 1HB SER 44 0.999 -10.992 -10.992 334 HG SER 44 HG SER 44 0.214 -11.956 -11.956 335 H TYR 45 H TYR 45 -2.956 -10.430 -10.430 336 HA TYR 45 HA TYR 45 -3.778 -13.168 -13.168 337 1HB TYR 45 2HB TYR 45 -5.093 -10.610 -10.610 338 2HB TYR 45 1HB TYR 45 -4.945 -12.146 -12.146 339 HD1 TYR 45 HD1 TYR 45 -1.878 -12.401 -12.401 340 HD2 TYR 45 HD2 TYR 45 -4.240 -9.362 -9.362 341 HE1 TYR 45 HE1 TYR 45 0.181 -11.539 -11.539 342 HE2 TYR 45 HE2 TYR 45 -2.174 -8.511 -8.511 343 HH TYR 45 HH TYR 45 0.466 -10.195 -10.195 344 H LYS 46 H LYS 46 -4.959 -10.182 -10.182 345 HA LYS 46 HA LYS 46 -7.146 -11.792 -11.792 346 1HB LYS 46 2HB LYS 46 -7.422 -8.950 -8.950 347 2HB LYS 46 1HB LYS 46 -8.670 -9.883 -9.883 348 1HG LYS 46 2HG LYS 46 -8.214 -11.666 -11.666 349 2HG LYS 46 1HG LYS 46 -7.446 -10.335 -10.335 350 1HD LYS 46 2HD LYS 46 -10.002 -9.453 -9.453 351 2HD LYS 46 1HD LYS 46 -10.237 -10.918 -10.918 352 1HE LYS 46 2HE LYS 46 -8.715 -9.724 -9.724 353 2HE LYS 46 1HE LYS 46 -9.101 -8.259 -8.259 354 1HZ LYS 46 1HZ LYS 46 -11.100 -10.121 -10.121 355 2HZ LYS 46 2HZ LYS 46 -10.721 -8.649 -8.649 356 H GLY 47 H GLY 47 -5.079 -8.837 -8.837 357 1HA GLY 47 1HA GLY 47 -3.803 -8.618 -8.618 358 2HA GLY 47 2HA GLY 47 -5.229 -9.117 -9.117 359 H LYS 48 H LYS 48 -5.785 -7.094 -7.094 360 HA LYS 48 HA LYS 48 -6.942 -5.075 -5.075 361 1HB LYS 48 2HB LYS 48 -6.324 -5.203 -5.203 362 2HB LYS 48 1HB LYS 48 -7.240 -3.920 -3.920 363 1HG LYS 48 2HG LYS 48 -8.785 -5.769 -5.769 364 2HG LYS 48 1HG LYS 48 -7.968 -6.877 -6.877 365 1HD LYS 48 2HD LYS 48 -8.529 -5.024 -5.024 366 2HD LYS 48 1HD LYS 48 -9.749 -4.528 -4.528 367 1HE LYS 48 2HE LYS 48 -10.965 -6.523 -6.523 368 2HE LYS 48 1HE LYS 48 -9.556 -7.468 -7.468 369 1HZ LYS 48 1HZ LYS 48 -10.870 -5.474 -5.474 370 2HZ LYS 48 2HZ LYS 48 -10.988 -7.090 -7.090 371 H CYS 49 H CYS 49 -6.160 -2.661 -2.661 372 HA CYS 49 HA CYS 49 -3.293 -2.510 -2.510 373 1HB CYS 49 2HB CYS 49 -3.693 -1.935 -1.935 374 2HB CYS 49 1HB CYS 49 -5.329 -1.393 -1.393 375 H TYR 50 H TYR 50 -3.162 -2.043 -2.043 376 HA TYR 50 HA TYR 50 -4.841 -0.171 -0.171 377 1HB TYR 50 2HB TYR 50 -2.086 -1.445 -1.445 378 2HB TYR 50 1HB TYR 50 -2.714 -0.292 -0.292 379 HD1 TYR 50 HD2 TYR 50 -3.541 -3.530 -3.530 380 HD2 TYR 50 HD1 TYR 50 -4.154 -0.998 -0.998 381 HE1 TYR 50 HE2 TYR 50 -4.821 -5.391 -5.391 382 HE2 TYR 50 HE1 TYR 50 -5.431 -2.868 -2.868 383 HH TYR 50 HH TYR 50 -5.950 -5.979 -5.979 384 H CYS 51 H CYS 51 -4.634 1.485 1.485 385 HA CYS 51 HA CYS 51 -2.184 2.940 2.940 386 1HB CYS 51 2HB CYS 51 -4.834 3.873 3.873 387 2HB CYS 51 1HB CYS 51 -3.223 4.323 4.323 Start of MODEL 38 1 H ALA 1 H ALA 1 4.076 -11.692 -11.692 2 HA ALA 1 HA ALA 1 5.288 -10.858 -10.858 3 1HB ALA 1 1HB ALA 1 2.869 -12.625 -12.625 4 2HB ALA 1 2HB ALA 1 3.510 -12.193 -12.193 5 3HB ALA 1 3HB ALA 1 4.553 -13.020 -13.020 6 H THR 2 H THR 2 4.004 -8.486 -8.486 7 HA THR 2 HA THR 2 2.282 -7.708 -7.708 8 HB THR 2 HB THR 2 2.889 -5.879 -5.879 9 HG1 THR 2 1HG THR 2 1.237 -8.303 -8.303 10 1HG2 THR 2 2HG2 THR 2 0.867 -6.117 -6.117 11 2HG2 THR 2 3HG2 THR 2 0.108 -6.707 -6.707 12 3HG2 THR 2 1HG2 THR 2 0.812 -5.074 -5.074 13 H TYR 3 H TYR 3 3.060 -6.664 -6.664 14 HA TYR 3 HA TYR 3 5.799 -5.765 -5.765 15 1HB TYR 3 2HB TYR 3 3.538 -5.646 -5.646 16 2HB TYR 3 1HB TYR 3 5.229 -5.354 -5.354 17 HD1 TYR 3 HD1 TYR 3 6.385 -7.618 -7.618 18 HD2 TYR 3 HD2 TYR 3 3.152 -7.501 -7.501 19 HE1 TYR 3 HE1 TYR 3 6.706 -10.093 -10.093 20 HE2 TYR 3 HE2 TYR 3 3.484 -9.977 -9.977 21 HH TYR 3 HH TYR 3 5.212 -11.973 -11.973 22 H ASN 4 H ASN 4 6.446 -3.731 -3.731 23 HA ASN 4 HA ASN 4 4.428 -1.746 -1.746 24 1HB ASN 4 2HB ASN 4 7.370 -1.082 -1.082 25 2HB ASN 4 1HB ASN 4 6.071 -0.556 -0.556 26 1HD2 ASN 4 2HD2 ASN 4 5.918 -4.020 -4.020 27 2HD2 ASN 4 1HD2 ASN 4 4.876 -3.076 -3.076 28 H GLY 5 H GLY 5 4.757 0.511 0.511 29 1HA GLY 5 1HA GLY 5 6.491 0.965 0.965 30 2HA GLY 5 2HA GLY 5 4.970 0.368 0.368 31 H LYS 6 H LYS 6 4.568 2.458 2.458 32 HA LYS 6 HA LYS 6 3.443 4.341 4.341 33 1HB LYS 6 2HB LYS 6 5.227 5.247 5.247 34 2HB LYS 6 1HB LYS 6 4.492 6.240 6.240 35 1HG LYS 6 2HG LYS 6 5.832 5.109 5.109 36 2HG LYS 6 1HG LYS 6 6.509 4.015 4.015 37 1HD LYS 6 2HD LYS 6 7.421 6.073 6.073 38 2HD LYS 6 1HD LYS 6 6.914 7.037 7.037 39 1HE LYS 6 2HE LYS 6 8.307 5.001 5.001 40 2HE LYS 6 1HE LYS 6 9.199 5.141 5.141 41 1HZ LYS 6 1HZ LYS 6 9.785 7.326 7.326 42 2HZ LYS 6 2HZ LYS 6 8.529 7.596 7.596 43 H CYS 7 H CYS 7 1.825 5.796 5.796 44 HA CYS 7 HA CYS 7 0.815 4.678 4.678 45 1HB CYS 7 2HB CYS 7 -1.487 5.401 5.401 46 2HB CYS 7 1HB CYS 7 -0.807 3.795 3.795 47 H TYR 8 H TYR 8 -0.359 6.275 6.275 48 HA TYR 8 HA TYR 8 0.339 9.034 9.034 49 1HB TYR 8 2HB TYR 8 -0.065 7.612 7.612 50 2HB TYR 8 1HB TYR 8 0.360 9.304 9.304 51 HD1 TYR 8 HD2 TYR 8 2.201 8.262 8.262 52 HD2 TYR 8 HD1 TYR 8 2.009 7.571 7.571 53 HE1 TYR 8 HE2 TYR 8 4.667 7.643 7.643 54 HE2 TYR 8 HE1 TYR 8 4.476 6.955 6.955 55 HH TYR 8 HH TYR 8 6.535 7.754 7.754 56 H LYS 9 H LYS 9 -1.200 10.693 10.693 57 HA LYS 9 HA LYS 9 -3.917 9.723 9.723 58 1HB LYS 9 2HB LYS 9 -4.477 12.039 12.039 59 2HB LYS 9 1HB LYS 9 -3.242 11.391 11.391 60 1HG LYS 9 2HG LYS 9 -2.166 13.362 13.362 61 2HG LYS 9 1HG LYS 9 -1.628 12.470 12.470 62 1HD LYS 9 2HD LYS 9 -2.508 14.594 14.594 63 2HD LYS 9 1HD LYS 9 -3.635 13.346 13.346 64 1HE LYS 9 2HE LYS 9 -5.315 14.196 14.196 65 2HE LYS 9 1HE LYS 9 -4.269 14.374 14.374 66 1HZ LYS 9 1HZ LYS 9 -3.635 16.274 16.274 67 2HZ LYS 9 2HZ LYS 9 -5.183 16.423 16.423 68 H LYS 10 H LYS 10 -1.778 11.797 11.797 69 HA LYS 10 HA LYS 10 -3.716 12.500 12.500 70 1HB LYS 10 2HB LYS 10 -0.935 12.870 12.870 71 2HB LYS 10 1HB LYS 10 -1.117 12.207 12.207 72 1HG LYS 10 2HG LYS 10 -2.326 14.035 14.035 73 2HG LYS 10 1HG LYS 10 -3.065 14.354 14.354 74 1HD LYS 10 2HD LYS 10 -0.683 15.056 15.056 75 2HD LYS 10 1HD LYS 10 -0.246 15.064 15.064 76 1HE LYS 10 2HE LYS 10 -2.564 16.527 16.527 77 2HE LYS 10 1HE LYS 10 -2.034 16.932 16.932 78 1HZ LYS 10 1HZ LYS 10 -0.033 17.827 17.827 79 2HZ LYS 10 2HZ LYS 10 -0.156 17.094 17.094 80 H ASP 11 H ASP 11 -2.043 9.468 9.468 81 HA ASP 11 HA ASP 11 -3.125 8.474 8.474 82 1HB ASP 11 2HB ASP 11 -0.655 7.898 7.898 83 2HB ASP 11 1HB ASP 11 -1.454 6.477 6.477 84 HD2 ASP 11 2HD ASP 11 1.072 8.457 8.457 85 H ASN 12 H ASN 12 -3.477 8.588 8.588 86 HA ASN 12 HA ASN 12 -4.416 7.321 7.321 87 1HB ASN 12 2HB ASN 12 -6.286 8.102 8.102 88 2HB ASN 12 1HB ASN 12 -6.486 6.369 6.369 89 1HD2 ASN 12 2HD2 ASN 12 -8.520 6.104 6.104 90 2HD2 ASN 12 1HD2 ASN 12 -8.038 5.591 5.591 91 H ILE 13 H ILE 13 -2.344 5.807 5.807 92 HA ILE 13 HA ILE 13 -3.492 3.133 3.133 93 HB ILE 13 HB ILE 13 -1.532 2.546 2.546 94 1HG1 ILE 13 2HG1 ILE 13 -0.640 4.664 4.664 95 2HG1 ILE 13 3HG1 ILE 13 -1.073 5.508 5.508 96 1HG2 ILE 13 2HG2 ILE 13 -3.979 3.818 3.818 97 2HG2 ILE 13 3HG2 ILE 13 -2.732 4.416 4.416 98 3HG2 ILE 13 1HG2 ILE 13 -3.019 2.667 2.667 99 1HD1 ILE 13 3HD1 ILE 13 0.288 3.075 3.075 100 2HD1 ILE 13 1HD1 ILE 13 1.253 3.909 3.909 101 3HD1 ILE 13 2HD1 ILE 13 0.809 4.757 4.757 102 H CYS 14 H CYS 14 -1.630 1.449 1.449 103 HA CYS 14 HA CYS 14 -0.162 2.556 2.556 104 1HB CYS 14 2HB CYS 14 -2.229 0.579 0.579 105 2HB CYS 14 1HB CYS 14 -0.721 -0.197 -0.197 106 H LYS 15 H LYS 15 1.937 2.584 2.584 107 HA LYS 15 HA LYS 15 2.789 0.323 0.323 108 1HB LYS 15 2HB LYS 15 4.521 1.704 1.704 109 2HB LYS 15 1HB LYS 15 3.094 2.720 2.720 110 1HG LYS 15 2HG LYS 15 3.822 3.866 3.866 111 2HG LYS 15 1HG LYS 15 5.005 2.633 2.633 112 1HD LYS 15 2HD LYS 15 5.849 4.867 4.867 113 2HD LYS 15 1HD LYS 15 6.517 3.359 3.359 114 1HE LYS 15 2HE LYS 15 4.838 3.374 3.374 115 2HE LYS 15 1HE LYS 15 4.218 4.906 4.906 116 1HZ LYS 15 1HZ LYS 15 6.789 4.361 4.361 117 2HZ LYS 15 2HZ LYS 15 5.779 5.619 5.619 118 H TYR 16 H TYR 16 4.338 -1.142 -1.142 119 HA TYR 16 HA TYR 16 6.058 -0.661 -0.661 120 1HB TYR 16 2HB TYR 16 4.927 -2.301 -2.301 121 2HB TYR 16 1HB TYR 16 3.863 -0.950 -0.950 122 HD1 TYR 16 HD1 TYR 16 2.311 -1.346 -1.346 123 HD2 TYR 16 HD2 TYR 16 4.005 -4.426 -4.426 124 HE1 TYR 16 HE1 TYR 16 0.516 -2.966 -2.966 125 HE2 TYR 16 HE2 TYR 16 2.205 -6.035 -6.035 126 HH TYR 16 HH TYR 16 0.540 -6.347 -6.347 127 H LYS 17 H LYS 17 7.104 -2.871 -2.871 128 HA LYS 17 HA LYS 17 7.530 -4.353 -4.353 129 1HB LYS 17 2HB LYS 17 9.164 -3.772 -3.772 130 2HB LYS 17 1HB LYS 17 9.481 -5.257 -5.257 131 1HG LYS 17 2HG LYS 17 9.183 -2.778 -2.778 132 2HG LYS 17 1HG LYS 17 10.614 -2.864 -2.864 133 1HD LYS 17 2HD LYS 17 9.762 -5.101 -5.101 134 2HD LYS 17 1HD LYS 17 10.885 -3.833 -3.833 135 1HE LYS 17 2HE LYS 17 12.279 -4.521 -4.521 136 2HE LYS 17 1HE LYS 17 11.249 -5.934 -5.934 137 1HZ LYS 17 1HZ LYS 17 12.165 -6.822 -6.822 138 2HZ LYS 17 2HZ LYS 17 12.410 -5.391 -5.391 139 H ALA 18 H ALA 18 7.008 -6.499 -6.499 140 HA ALA 18 HA ALA 18 5.398 -7.619 -7.619 141 1HB ALA 18 1HB ALA 18 4.932 -7.491 -7.491 142 2HB ALA 18 2HB ALA 18 5.880 -8.998 -8.998 143 3HB ALA 18 3HB ALA 18 4.392 -8.881 -8.881 144 H GLN 19 H GLN 19 8.207 -7.330 -7.330 145 HA GLN 19 HA GLN 19 9.825 -8.477 -8.477 146 1HB GLN 19 2HB GLN 19 8.457 -9.904 -9.904 147 2HB GLN 19 1HB GLN 19 7.730 -10.634 -10.634 148 1HG GLN 19 2HG GLN 19 9.235 -12.259 -12.259 149 2HG GLN 19 1HG GLN 19 9.897 -11.789 -11.789 150 1HE2 GLN 19 2HE2 GLN 19 11.584 -10.231 -10.231 151 2HE2 GLN 19 1HE2 GLN 19 9.883 -10.528 -10.528 152 H SER 20 H SER 20 8.398 -10.615 -10.615 153 HA SER 20 HA SER 20 11.071 -11.150 -11.150 154 1HB SER 20 2HB SER 20 9.424 -12.451 -12.451 155 2HB SER 20 1HB SER 20 10.010 -13.147 -13.147 156 HG SER 20 HG SER 20 7.963 -13.294 -13.294 157 H GLY 21 H GLY 21 9.139 -8.563 -8.563 158 1HA GLY 21 1HA GLY 21 9.186 -6.840 -6.840 159 2HA GLY 21 2HA GLY 21 10.267 -7.751 -7.751 160 H LYS 22 H LYS 22 7.721 -9.834 -9.834 161 HA LYS 22 HA LYS 22 6.754 -9.889 -9.889 162 1HB LYS 22 2HB LYS 22 6.516 -11.685 -11.685 163 2HB LYS 22 1HB LYS 22 5.339 -10.721 -10.721 164 1HG LYS 22 2HG LYS 22 4.231 -10.624 -10.624 165 2HG LYS 22 1HG LYS 22 5.058 -12.165 -12.165 166 1HD LYS 22 2HD LYS 22 3.957 -12.702 -12.702 167 2HD LYS 22 1HD LYS 22 2.906 -11.340 -11.340 168 1HE LYS 22 2HE LYS 22 2.699 -12.646 -12.646 169 2HE LYS 22 1HE LYS 22 3.042 -14.017 -14.017 170 1HZ LYS 22 1HZ LYS 22 0.863 -13.927 -13.927 171 2HZ LYS 22 2HZ LYS 22 1.166 -12.591 -12.591 172 H THR 23 H THR 23 4.473 -9.002 -9.002 173 HA THR 23 HA THR 23 2.826 -7.491 -7.491 174 HB THR 23 HB THR 23 3.059 -8.275 -8.275 175 HG1 THR 23 1HG THR 23 1.166 -6.624 -6.624 176 1HG2 THR 23 1HG2 THR 23 3.894 -5.747 -5.747 177 2HG2 THR 23 2HG2 THR 23 2.182 -5.375 -5.375 178 3HG2 THR 23 3HG2 THR 23 2.636 -6.343 -6.343 179 H ALA 24 H ALA 24 2.361 -5.003 -5.003 180 HA ALA 24 HA ALA 24 4.307 -3.246 -3.246 181 1HB ALA 24 3HB ALA 24 4.645 -4.354 -4.354 182 2HB ALA 24 1HB ALA 24 4.910 -2.610 -2.610 183 3HB ALA 24 2HB ALA 24 5.872 -3.793 -3.793 184 H ILE 25 H ILE 25 3.072 -1.484 -1.484 185 HA ILE 25 HA ILE 25 1.463 0.018 0.018 186 HB ILE 25 HB ILE 25 1.331 -0.553 -0.553 187 1HG1 ILE 25 2HG1 ILE 25 3.499 0.773 0.773 188 2HG1 ILE 25 3HG1 ILE 25 3.636 -0.374 -0.374 189 1HG2 ILE 25 3HG2 ILE 25 -0.362 0.975 0.975 190 2HG2 ILE 25 1HG2 ILE 25 0.902 1.972 1.972 191 3HG2 ILE 25 2HG2 ILE 25 0.818 1.840 1.840 192 1HD1 ILE 25 2HD1 ILE 25 2.746 1.362 1.362 193 2HD1 ILE 25 3HD1 ILE 25 2.701 2.523 2.523 194 3HD1 ILE 25 1HD1 ILE 25 4.258 1.866 1.866 195 H CYS 26 H CYS 26 -0.712 0.040 0.040 196 HA CYS 26 HA CYS 26 -2.435 -1.873 -1.873 197 1HB CYS 26 2HB CYS 26 -1.631 -3.370 -3.370 198 2HB CYS 26 1HB CYS 26 -1.638 -2.155 -2.155 199 H LYS 27 H LYS 27 -4.089 -0.484 -0.484 200 HA LYS 27 HA LYS 27 -4.579 1.978 1.978 201 1HB LYS 27 2HB LYS 27 -6.847 -0.014 -0.014 202 2HB LYS 27 1HB LYS 27 -6.868 1.691 1.691 203 1HG LYS 27 2HG LYS 27 -4.861 0.998 0.998 204 2HG LYS 27 1HG LYS 27 -5.570 -0.597 -0.597 205 1HD LYS 27 2HD LYS 27 -7.469 -0.022 -0.022 206 2HD LYS 27 1HD LYS 27 -7.528 1.596 1.596 207 1HE LYS 27 2HE LYS 27 -5.776 2.374 2.374 208 2HE LYS 27 1HE LYS 27 -5.431 0.741 0.741 209 1HZ LYS 27 1HZ LYS 27 -8.104 1.042 1.042 210 2HZ LYS 27 2HZ LYS 27 -7.504 2.504 2.504 211 H CYS 28 H CYS 28 -5.575 3.174 3.174 212 HA CYS 28 HA CYS 28 -5.358 1.933 1.933 213 1HB CYS 28 2HB CYS 28 -6.039 4.704 4.704 214 2HB CYS 28 1HB CYS 28 -6.250 4.252 4.252 215 H TYR 29 H TYR 29 -7.011 0.251 0.251 216 HA TYR 29 HA TYR 29 -9.643 0.716 0.716 217 1HB TYR 29 2HB TYR 29 -9.907 -1.496 -1.496 218 2HB TYR 29 1HB TYR 29 -8.200 -1.443 -1.443 219 HD1 TYR 29 HD1 TYR 29 -6.861 -0.114 -0.114 220 HD2 TYR 29 HD2 TYR 29 -10.308 -2.635 -2.635 221 HE1 TYR 29 HE1 TYR 29 -6.292 -0.665 -0.665 222 HE2 TYR 29 HE2 TYR 29 -9.728 -3.178 -3.178 223 HH TYR 29 HH TYR 29 -8.467 -2.046 -2.046 224 H VAL 30 H VAL 30 -11.168 2.014 2.014 225 HA VAL 30 HA VAL 30 -12.420 3.043 3.043 226 HB VAL 30 HB VAL 30 -12.987 1.910 1.910 227 1HG1 VAL 30 1HG1 VAL 30 -12.255 0.215 0.215 228 2HG1 VAL 30 2HG1 VAL 30 -11.030 -0.257 -0.257 229 3HG1 VAL 30 3HG1 VAL 30 -12.760 -0.366 -0.366 230 1HG2 VAL 30 3HG2 VAL 30 -10.086 2.088 2.088 231 2HG2 VAL 30 1HG2 VAL 30 -11.510 2.461 2.461 232 3HG2 VAL 30 2HG2 VAL 30 -10.997 0.771 0.771 233 H LYS 31 H LYS 31 -12.314 4.933 4.933 234 HA LYS 31 HA LYS 31 -11.374 6.749 6.749 235 1HB LYS 31 2HB LYS 31 -10.437 4.839 4.839 236 2HB LYS 31 1HB LYS 31 -8.904 5.265 5.265 237 1HG LYS 31 2HG LYS 31 -8.751 7.111 7.111 238 2HG LYS 31 1HG LYS 31 -10.267 7.720 7.720 239 1HD LYS 31 2HD LYS 31 -11.098 5.694 5.694 240 2HD LYS 31 1HD LYS 31 -9.716 6.380 6.380 241 1HE LYS 31 2HE LYS 31 -12.039 8.030 8.030 242 2HE LYS 31 1HE LYS 31 -11.910 7.511 7.511 243 1HZ LYS 31 1HZ LYS 31 -9.643 8.969 8.969 244 2HZ LYS 31 2HZ LYS 31 -10.960 9.823 9.823 245 H LYS 32 H LYS 32 -8.984 7.993 7.993 246 HA LYS 32 HA LYS 32 -7.814 7.526 7.526 247 1HB LYS 32 2HB LYS 32 -9.632 9.158 9.158 248 2HB LYS 32 1HB LYS 32 -8.938 10.197 10.197 249 1HG LYS 32 2HG LYS 32 -6.740 9.779 9.779 250 2HG LYS 32 1HG LYS 32 -8.030 9.701 9.701 251 1HD LYS 32 2HD LYS 32 -7.665 11.978 11.978 252 2HD LYS 32 1HD LYS 32 -7.121 12.030 12.030 253 1HE LYS 32 2HE LYS 32 -9.574 11.507 11.507 254 2HE LYS 32 1HE LYS 32 -9.992 11.843 11.843 255 1HZ LYS 32 1HZ LYS 32 -9.684 14.052 14.052 256 2HZ LYS 32 2HZ LYS 32 -8.327 13.874 13.874 257 H CYS 33 H CYS 33 -5.634 8.239 8.239 258 HA CYS 33 HA CYS 33 -4.207 8.106 8.106 259 1HB CYS 33 2HB CYS 33 -3.583 7.778 7.778 260 2HB CYS 33 1HB CYS 33 -2.936 9.389 9.389 261 HA PRO 34 HA PRO 34 -4.390 12.286 12.286 262 1HB PRO 34 2HB PRO 34 -2.315 12.368 12.368 263 2HB PRO 34 1HB PRO 34 -3.899 11.739 11.739 264 1HG PRO 34 2HG PRO 34 -1.398 10.256 10.256 265 2HG PRO 34 1HG PRO 34 -2.852 9.702 9.702 266 1HD PRO 34 2HD PRO 34 -2.037 9.089 9.089 267 2HD PRO 34 1HD PRO 34 -3.544 8.631 8.631 268 H ARG 35 H ARG 35 -1.153 11.144 11.144 269 HA ARG 35 HA ARG 35 -0.901 13.179 13.179 270 1HB ARG 35 2HB ARG 35 0.992 14.427 14.427 271 2HB ARG 35 1HB ARG 35 -0.486 14.605 14.605 272 1HG ARG 35 2HG ARG 35 0.925 12.241 12.241 273 2HG ARG 35 1HG ARG 35 2.040 13.592 13.592 274 1HD ARG 35 2HD ARG 35 0.122 14.934 14.934 275 2HD ARG 35 1HD ARG 35 -0.587 13.363 13.363 276 HE ARG 35 HE ARG 35 2.261 13.636 13.636 277 1HH1 ARG 35 2HH2 ARG 35 -1.106 13.773 13.773 278 2HH1 ARG 35 1HH2 ARG 35 -0.701 13.569 13.569 279 HH2 ARG 35 1HH ARG 35 1.600 13.332 13.332 280 H ASP 36 H ASP 36 0.810 12.660 12.660 281 HA ASP 36 HA ASP 36 1.650 10.191 10.191 282 1HB ASP 36 2HB ASP 36 2.349 11.507 11.507 283 2HB ASP 36 1HB ASP 36 2.805 12.844 12.844 284 HD2 ASP 36 2HD ASP 36 5.205 11.479 11.479 285 H GLY 37 H GLY 37 2.987 8.765 8.765 286 1HA GLY 37 1HA GLY 37 5.148 8.406 8.406 287 2HA GLY 37 2HA GLY 37 4.981 9.943 9.943 288 H ALA 38 H ALA 38 1.974 9.365 9.365 289 HA ALA 38 HA ALA 38 1.949 8.639 8.639 290 1HB ALA 38 1HB ALA 38 0.072 9.077 9.077 291 2HB ALA 38 2HB ALA 38 -0.231 7.374 7.374 292 3HB ALA 38 3HB ALA 38 -0.302 8.627 8.627 293 H LYS 39 H LYS 39 2.640 6.929 6.929 294 HA LYS 39 HA LYS 39 3.691 4.649 4.649 295 1HB LYS 39 2HB LYS 39 4.282 5.643 5.643 296 2HB LYS 39 1HB LYS 39 2.811 4.936 4.936 297 1HG LYS 39 2HG LYS 39 4.327 2.960 2.960 298 2HG LYS 39 1HG LYS 39 5.326 3.662 3.662 299 1HD LYS 39 2HD LYS 39 2.581 2.381 2.381 300 2HD LYS 39 1HD LYS 39 4.120 1.673 1.673 301 1HE LYS 39 2HE LYS 39 4.276 2.920 2.920 302 2HE LYS 39 1HE LYS 39 3.756 4.389 4.389 303 1HZ LYS 39 1HZ LYS 39 1.865 4.037 4.037 304 2HZ LYS 39 2HZ LYS 39 1.479 2.939 2.939 305 H CYS 40 H CYS 40 2.952 2.415 2.415 306 HA CYS 40 HA CYS 40 0.192 1.980 1.980 307 1HB CYS 40 2HB CYS 40 -0.283 1.019 1.019 308 2HB CYS 40 1HB CYS 40 -0.302 2.763 2.763 309 H GLU 41 H GLU 41 -0.274 -0.504 -0.504 310 HA GLU 41 HA GLU 41 2.102 -2.073 -2.073 311 1HB GLU 41 2HB GLU 41 0.948 -3.320 -3.320 312 2HB GLU 41 1HB GLU 41 2.339 -2.257 -2.257 313 1HG GLU 41 2HG GLU 41 -0.449 -1.070 -1.070 314 2HG GLU 41 1HG GLU 41 0.225 -1.777 -1.777 315 HE1 GLU 41 2HE GLU 41 3.047 0.324 0.324 316 H PHE 42 H PHE 42 1.683 -4.016 -4.016 317 HA PHE 42 HA PHE 42 -1.130 -4.498 -4.498 318 1HB PHE 42 2HB PHE 42 0.422 -4.240 -4.240 319 2HB PHE 42 1HB PHE 42 1.590 -5.317 -5.317 320 HD1 PHE 42 2HD PHE 42 -1.609 -5.141 -5.141 321 HD2 PHE 42 1HD PHE 42 1.351 -7.709 -7.709 322 HE1 PHE 42 2HE PHE 42 -2.592 -7.075 -7.075 323 HE2 PHE 42 1HE PHE 42 0.368 -9.643 -9.643 324 HZ PHE 42 HZ PHE 42 -1.592 -9.302 -9.302 325 H ASP 43 H ASP 43 -1.902 -5.683 -5.683 326 HA ASP 43 HA ASP 43 -0.487 -7.576 -7.576 327 1HB ASP 43 2HB ASP 43 -3.449 -7.205 -7.205 328 2HB ASP 43 1HB ASP 43 -2.902 -8.560 -8.560 329 HD1 ASP 43 2HD ASP 43 -2.180 -4.938 -4.938 330 H SER 44 H SER 44 0.368 -9.517 -9.517 331 HA SER 44 HA SER 44 -0.469 -10.527 -10.527 332 1HB SER 44 2HB SER 44 1.297 -12.130 -12.130 333 2HB SER 44 1HB SER 44 1.886 -10.632 -10.632 334 HG SER 44 HG SER 44 1.558 -11.429 -11.429 335 H TYR 45 H TYR 45 -1.943 -10.618 -10.618 336 HA TYR 45 HA TYR 45 -2.644 -13.399 -13.399 337 1HB TYR 45 2HB TYR 45 -4.133 -11.082 -11.082 338 2HB TYR 45 1HB TYR 45 -3.771 -12.652 -12.652 339 HD1 TYR 45 HD1 TYR 45 -0.790 -12.729 -12.729 340 HD2 TYR 45 HD2 TYR 45 -3.283 -9.654 -9.654 341 HE1 TYR 45 HE1 TYR 45 1.213 -11.733 -11.733 342 HE2 TYR 45 HE2 TYR 45 -1.271 -8.668 -8.668 343 HH TYR 45 HH TYR 45 0.857 -9.352 -9.352 344 H LYS 46 H LYS 46 -3.808 -10.506 -10.506 345 HA LYS 46 HA LYS 46 -6.029 -12.083 -12.083 346 1HB LYS 46 2HB LYS 46 -6.272 -9.449 -9.449 347 2HB LYS 46 1HB LYS 46 -7.426 -9.902 -9.902 348 1HG LYS 46 2HG LYS 46 -7.017 -12.185 -12.185 349 2HG LYS 46 1HG LYS 46 -7.322 -10.782 -10.782 350 1HD LYS 46 2HD LYS 46 -9.072 -11.495 -11.495 351 2HD LYS 46 1HD LYS 46 -9.397 -12.092 -12.092 352 1HE LYS 46 2HE LYS 46 -9.784 -9.879 -9.879 353 2HE LYS 46 1HE LYS 46 -9.046 -9.115 -9.115 354 1HZ LYS 46 1HZ LYS 46 -10.898 -9.640 -9.640 355 2HZ LYS 46 2HZ LYS 46 -11.456 -10.796 -10.796 356 H GLY 47 H GLY 47 -4.078 -9.041 -9.041 357 1HA GLY 47 1HA GLY 47 -2.817 -8.591 -8.591 358 2HA GLY 47 2HA GLY 47 -4.091 -9.313 -9.313 359 H LYS 48 H LYS 48 -4.123 -6.874 -6.874 360 HA LYS 48 HA LYS 48 -6.009 -5.298 -5.298 361 1HB LYS 48 2HB LYS 48 -4.831 -5.062 -5.062 362 2HB LYS 48 1HB LYS 48 -5.903 -3.858 -3.858 363 1HG LYS 48 2HG LYS 48 -6.777 -6.739 -6.739 364 2HG LYS 48 1HG LYS 48 -6.830 -5.956 -5.956 365 1HD LYS 48 2HD LYS 48 -8.380 -4.295 -4.295 366 2HD LYS 48 1HD LYS 48 -8.035 -4.592 -4.592 367 1HE LYS 48 2HE LYS 48 -10.148 -5.642 -5.642 368 2HE LYS 48 1HE LYS 48 -8.997 -6.963 -6.963 369 1HZ LYS 48 1HZ LYS 48 -9.081 -6.125 -6.125 370 2HZ LYS 48 2HZ LYS 48 -10.639 -6.123 -6.123 371 H CYS 49 H CYS 49 -3.755 -3.506 -3.506 372 HA CYS 49 HA CYS 49 -1.638 -2.973 -2.973 373 1HB CYS 49 2HB CYS 49 -2.387 -0.929 -0.929 374 2HB CYS 49 1HB CYS 49 -2.572 -2.543 -2.543 375 H TYR 50 H TYR 50 -4.451 -1.840 -1.840 376 HA TYR 50 HA TYR 50 -4.772 -0.095 -0.095 377 1HB TYR 50 2HB TYR 50 -2.003 -1.247 -1.247 378 2HB TYR 50 1HB TYR 50 -2.858 -0.165 -0.165 379 HD1 TYR 50 HD2 TYR 50 -3.078 -3.489 -3.489 380 HD2 TYR 50 HD1 TYR 50 -4.518 -0.979 -0.979 381 HE1 TYR 50 HE2 TYR 50 -4.298 -5.468 -5.468 382 HE2 TYR 50 HE1 TYR 50 -5.734 -2.967 -2.967 383 HH TYR 50 HH TYR 50 -6.472 -5.030 -5.030 384 H CYS 51 H CYS 51 -4.752 1.763 1.763 385 HA CYS 51 HA CYS 51 -2.254 2.985 2.985 386 1HB CYS 51 2HB CYS 51 -4.805 4.493 4.493 387 2HB CYS 51 1HB CYS 51 -3.433 4.407 4.407 Start of MODEL 39 1 H ALA 1 H ALA 1 2.748 -11.761 -11.761 2 HA ALA 1 HA ALA 1 4.423 -10.738 -10.738 3 1HB ALA 1 1HB ALA 1 2.801 -12.929 -12.929 4 2HB ALA 1 2HB ALA 1 2.710 -11.982 -11.982 5 3HB ALA 1 3HB ALA 1 4.292 -12.499 -12.499 6 H THR 2 H THR 2 2.886 -8.488 -8.488 7 HA THR 2 HA THR 2 1.759 -7.542 -7.542 8 HB THR 2 HB THR 2 2.156 -5.808 -5.808 9 HG1 THR 2 1HG THR 2 1.229 -7.430 -7.430 10 1HG2 THR 2 2HG2 THR 2 0.588 -5.602 -5.602 11 2HG2 THR 2 3HG2 THR 2 -0.540 -6.380 -6.380 12 3HG2 THR 2 1HG2 THR 2 0.202 -4.816 -4.816 13 H TYR 3 H TYR 3 2.618 -6.045 -6.045 14 HA TYR 3 HA TYR 3 5.476 -5.660 -5.660 15 1HB TYR 3 2HB TYR 3 3.372 -4.855 -4.855 16 2HB TYR 3 1HB TYR 3 5.104 -4.768 -4.768 17 HD1 TYR 3 HD2 TYR 3 4.816 -7.627 -7.627 18 HD2 TYR 3 HD1 TYR 3 3.811 -6.173 -6.173 19 HE1 TYR 3 HE2 TYR 3 4.806 -10.007 -10.007 20 HE2 TYR 3 HE1 TYR 3 3.804 -8.558 -8.558 21 HH TYR 3 HH TYR 3 4.463 -10.641 -10.641 22 H ASN 4 H ASN 4 6.074 -3.307 -3.307 23 HA ASN 4 HA ASN 4 4.438 -1.280 -1.280 24 1HB ASN 4 2HB ASN 4 7.418 -1.086 -1.086 25 2HB ASN 4 1HB ASN 4 6.109 -0.392 -0.392 26 1HD2 ASN 4 2HD2 ASN 4 5.280 -3.455 -3.455 27 2HD2 ASN 4 1HD2 ASN 4 4.548 -2.115 -2.115 28 H GLY 5 H GLY 5 4.641 0.736 0.736 29 1HA GLY 5 1HA GLY 5 6.828 1.280 1.280 30 2HA GLY 5 2HA GLY 5 5.434 0.697 0.697 31 H LYS 6 H LYS 6 4.795 2.614 2.614 32 HA LYS 6 HA LYS 6 3.735 4.637 4.637 33 1HB LYS 6 2HB LYS 6 5.346 5.335 5.335 34 2HB LYS 6 1HB LYS 6 4.660 6.444 6.444 35 1HG LYS 6 2HG LYS 6 6.150 5.643 5.643 36 2HG LYS 6 1HG LYS 6 6.699 4.308 4.308 37 1HD LYS 6 2HD LYS 6 7.388 6.279 6.279 38 2HD LYS 6 1HD LYS 6 7.373 7.243 7.243 39 1HE LYS 6 2HE LYS 6 8.821 4.590 4.590 40 2HE LYS 6 1HE LYS 6 9.581 5.935 5.935 41 1HZ LYS 6 1HZ LYS 6 10.047 6.907 6.907 42 2HZ LYS 6 2HZ LYS 6 8.546 6.699 6.699 43 H CYS 7 H CYS 7 2.057 6.015 6.015 44 HA CYS 7 HA CYS 7 0.895 4.660 4.660 45 1HB CYS 7 2HB CYS 7 -1.369 5.196 5.196 46 2HB CYS 7 1HB CYS 7 -0.479 3.786 3.786 47 H TYR 8 H TYR 8 -0.432 6.127 6.127 48 HA TYR 8 HA TYR 8 0.212 8.951 8.951 49 1HB TYR 8 2HB TYR 8 -0.302 7.319 7.319 50 2HB TYR 8 1HB TYR 8 0.014 9.043 9.043 51 HD1 TYR 8 HD2 TYR 8 2.087 8.270 8.270 52 HD2 TYR 8 HD1 TYR 8 1.670 7.348 7.348 53 HE1 TYR 8 HE2 TYR 8 4.583 7.811 7.811 54 HE2 TYR 8 HE1 TYR 8 4.167 6.892 6.892 55 HH TYR 8 HH TYR 8 6.308 7.952 7.952 56 H LYS 9 H LYS 9 -1.428 10.481 10.481 57 HA LYS 9 HA LYS 9 -4.093 9.416 9.416 58 1HB LYS 9 2HB LYS 9 -4.714 11.691 11.691 59 2HB LYS 9 1HB LYS 9 -3.351 11.133 11.133 60 1HG LYS 9 2HG LYS 9 -2.548 13.225 13.225 61 2HG LYS 9 1HG LYS 9 -1.922 12.281 12.281 62 1HD LYS 9 2HD LYS 9 -2.964 13.954 13.954 63 2HD LYS 9 1HD LYS 9 -4.318 12.850 12.850 64 1HE LYS 9 2HE LYS 9 -5.493 14.274 14.274 65 2HE LYS 9 1HE LYS 9 -4.096 14.631 14.631 66 1HZ LYS 9 1HZ LYS 9 -4.118 15.765 15.765 67 2HZ LYS 9 2HZ LYS 9 -5.131 16.436 16.436 68 H LYS 10 H LYS 10 -2.205 11.614 11.614 69 HA LYS 10 HA LYS 10 -4.284 12.189 12.189 70 1HB LYS 10 2HB LYS 10 -1.555 12.785 12.785 71 2HB LYS 10 1HB LYS 10 -1.697 12.009 12.009 72 1HG LYS 10 2HG LYS 10 -2.469 13.981 13.981 73 2HG LYS 10 1HG LYS 10 -3.940 13.708 13.708 74 1HD LYS 10 2HD LYS 10 -3.403 15.276 15.276 75 2HD LYS 10 1HD LYS 10 -1.727 14.770 14.770 76 1HE LYS 10 2HE LYS 10 -1.378 16.816 16.816 77 2HE LYS 10 1HE LYS 10 -1.680 15.893 15.893 78 1HZ LYS 10 1HZ LYS 10 -4.182 16.590 16.590 79 2HZ LYS 10 2HZ LYS 10 -3.323 17.919 17.919 80 H ASP 11 H ASP 11 -2.305 9.288 9.288 81 HA ASP 11 HA ASP 11 -3.479 8.225 8.225 82 1HB ASP 11 2HB ASP 11 -0.940 7.781 7.781 83 2HB ASP 11 1HB ASP 11 -1.694 6.307 6.307 84 HD1 ASP 11 2HD ASP 11 -1.381 8.175 8.175 85 H ASN 12 H ASN 12 -3.769 8.337 8.337 86 HA ASN 12 HA ASN 12 -4.658 7.070 7.070 87 1HB ASN 12 2HB ASN 12 -6.744 7.690 7.690 88 2HB ASN 12 1HB ASN 12 -6.494 6.610 6.610 89 1HD2 ASN 12 2HD2 ASN 12 -7.722 5.152 5.152 90 2HD2 ASN 12 1HD2 ASN 12 -6.835 6.633 6.633 91 H ILE 13 H ILE 13 -2.452 5.713 5.713 92 HA ILE 13 HA ILE 13 -3.363 2.941 2.941 93 HB ILE 13 HB ILE 13 -1.505 2.409 2.409 94 1HG1 ILE 13 2HG1 ILE 13 -0.788 4.511 4.511 95 2HG1 ILE 13 3HG1 ILE 13 -1.155 5.391 5.391 96 1HG2 ILE 13 1HG2 ILE 13 -4.044 3.507 3.507 97 2HG2 ILE 13 2HG2 ILE 13 -2.913 4.180 4.180 98 3HG2 ILE 13 3HG2 ILE 13 -3.061 2.417 2.417 99 1HD1 ILE 13 1HD1 ILE 13 0.310 3.189 3.189 100 2HD1 ILE 13 2HD1 ILE 13 1.118 3.624 3.624 101 3HD1 ILE 13 3HD1 ILE 13 0.936 4.838 4.838 102 H CYS 14 H CYS 14 -1.416 1.441 1.441 103 HA CYS 14 HA CYS 14 0.183 2.835 2.835 104 1HB CYS 14 2HB CYS 14 -1.360 1.742 1.742 105 2HB CYS 14 1HB CYS 14 -1.485 0.362 0.362 106 H LYS 15 H LYS 15 2.204 2.836 2.836 107 HA LYS 15 HA LYS 15 3.001 0.439 0.439 108 1HB LYS 15 2HB LYS 15 4.458 1.758 1.758 109 2HB LYS 15 1HB LYS 15 3.171 2.901 2.901 110 1HG LYS 15 2HG LYS 15 4.449 3.706 3.706 111 2HG LYS 15 1HG LYS 15 5.755 2.617 2.617 112 1HD LYS 15 2HD LYS 15 4.727 4.968 4.968 113 2HD LYS 15 1HD LYS 15 6.288 4.839 4.839 114 1HE LYS 15 2HE LYS 15 6.285 2.555 2.555 115 2HE LYS 15 1HE LYS 15 5.362 3.658 3.658 116 1HZ LYS 15 1HZ LYS 15 7.993 4.377 4.377 117 2HZ LYS 15 2HZ LYS 15 7.824 3.781 3.781 118 H TYR 16 H TYR 16 4.443 -1.017 -1.017 119 HA TYR 16 HA TYR 16 6.273 -0.206 -0.206 120 1HB TYR 16 2HB TYR 16 5.340 -2.207 -2.207 121 2HB TYR 16 1HB TYR 16 4.321 -0.782 -0.782 122 HD1 TYR 16 HD1 TYR 16 2.567 -0.768 -0.768 123 HD2 TYR 16 HD2 TYR 16 4.339 -4.267 -4.267 124 HE1 TYR 16 HE1 TYR 16 0.642 -2.180 -2.180 125 HE2 TYR 16 HE2 TYR 16 2.408 -5.667 -5.667 126 HH TYR 16 HH TYR 16 0.220 -4.474 -4.474 127 H LYS 17 H LYS 17 7.425 -2.439 -2.439 128 HA LYS 17 HA LYS 17 8.090 -3.805 -3.805 129 1HB LYS 17 2HB LYS 17 9.692 -2.545 -2.545 130 2HB LYS 17 1HB LYS 17 10.031 -4.263 -4.263 131 1HG LYS 17 2HG LYS 17 9.827 -3.100 -3.100 132 2HG LYS 17 1HG LYS 17 11.176 -2.514 -2.514 133 1HD LYS 17 2HD LYS 17 10.564 -5.487 -5.487 134 2HD LYS 17 1HD LYS 17 11.593 -4.631 -4.631 135 1HE LYS 17 2HE LYS 17 12.680 -3.828 -3.828 136 2HE LYS 17 1HE LYS 17 12.141 -5.448 -5.448 137 1HZ LYS 17 1HZ LYS 17 13.390 -5.527 -5.527 138 2HZ LYS 17 2HZ LYS 17 14.389 -4.736 -4.736 139 H ALA 18 H ALA 18 6.714 -5.545 -5.545 140 HA ALA 18 HA ALA 18 5.606 -6.919 -6.919 141 1HB ALA 18 2HB ALA 18 5.602 -7.074 -7.074 142 2HB ALA 18 3HB ALA 18 6.451 -8.577 -8.577 143 3HB ALA 18 1HB ALA 18 4.824 -8.259 -8.259 144 H GLN 19 H GLN 19 6.106 -9.226 -9.226 145 HA GLN 19 HA GLN 19 8.530 -9.232 -9.232 146 1HB GLN 19 2HB GLN 19 6.357 -10.581 -10.581 147 2HB GLN 19 1HB GLN 19 6.979 -11.758 -11.758 148 1HG GLN 19 2HG GLN 19 7.708 -12.496 -12.496 149 2HG GLN 19 1HG GLN 19 9.129 -11.834 -11.834 150 1HE2 GLN 19 2HE2 GLN 19 7.836 -10.409 -10.409 151 2HE2 GLN 19 1HE2 GLN 19 7.293 -11.861 -11.861 152 H SER 20 H SER 20 7.582 -10.446 -10.446 153 HA SER 20 HA SER 20 10.318 -11.407 -11.407 154 1HB SER 20 2HB SER 20 9.058 -12.603 -12.603 155 2HB SER 20 1HB SER 20 9.183 -13.341 -13.341 156 HG SER 20 HG SER 20 7.008 -13.443 -13.443 157 H GLY 21 H GLY 21 8.400 -8.788 -8.788 158 1HA GLY 21 1HA GLY 21 8.732 -6.987 -6.987 159 2HA GLY 21 2HA GLY 21 10.035 -7.827 -7.827 160 H LYS 22 H LYS 22 7.456 -9.978 -9.978 161 HA LYS 22 HA LYS 22 7.051 -9.767 -9.767 162 1HB LYS 22 2HB LYS 22 6.662 -11.712 -11.712 163 2HB LYS 22 1HB LYS 22 5.031 -11.073 -11.073 164 1HG LYS 22 2HG LYS 22 4.722 -12.449 -12.449 165 2HG LYS 22 1HG LYS 22 5.429 -11.115 -11.115 166 1HD LYS 22 2HD LYS 22 7.686 -12.477 -12.477 167 2HD LYS 22 1HD LYS 22 6.563 -13.786 -13.786 168 1HE LYS 22 2HE LYS 22 6.841 -11.611 -11.611 169 2HE LYS 22 1HE LYS 22 8.122 -12.799 -12.799 170 1HZ LYS 22 1HZ LYS 22 6.629 -14.532 -14.532 171 2HZ LYS 22 2HZ LYS 22 5.296 -13.650 -13.650 172 H THR 23 H THR 23 5.262 -8.452 -8.452 173 HA THR 23 HA THR 23 3.195 -7.365 -7.365 174 HB THR 23 HB THR 23 3.488 -8.113 -8.113 175 HG1 THR 23 1HG THR 23 1.403 -8.123 -8.123 176 1HG2 THR 23 3HG2 THR 23 4.362 -5.554 -5.554 177 2HG2 THR 23 1HG2 THR 23 2.617 -5.223 -5.223 178 3HG2 THR 23 2HG2 THR 23 3.255 -6.206 -6.206 179 H ALA 24 H ALA 24 2.681 -4.863 -4.863 180 HA ALA 24 HA ALA 24 4.602 -3.046 -3.046 181 1HB ALA 24 2HB ALA 24 4.758 -4.127 -4.127 182 2HB ALA 24 3HB ALA 24 5.049 -2.392 -2.392 183 3HB ALA 24 1HB ALA 24 6.064 -3.602 -3.602 184 H ILE 25 H ILE 25 3.234 -1.439 -1.439 185 HA ILE 25 HA ILE 25 1.544 -0.021 -0.021 186 HB ILE 25 HB ILE 25 1.522 -0.380 -0.380 187 1HG1 ILE 25 2HG1 ILE 25 3.098 1.805 1.805 188 2HG1 ILE 25 3HG1 ILE 25 3.773 0.192 0.192 189 1HG2 ILE 25 1HG2 ILE 25 0.400 1.650 1.650 190 2HG2 ILE 25 2HG2 ILE 25 0.947 2.167 2.167 191 3HG2 ILE 25 3HG2 ILE 25 -0.318 0.923 0.923 192 1HD1 ILE 25 1HD1 ILE 25 2.687 0.877 0.877 193 2HD1 ILE 25 2HD1 ILE 25 4.087 1.847 1.847 194 3HD1 ILE 25 3HD1 ILE 25 4.213 0.073 0.073 195 H CYS 26 H CYS 26 -0.640 -0.126 -0.126 196 HA CYS 26 HA CYS 26 -2.238 -2.072 -2.072 197 1HB CYS 26 2HB CYS 26 -1.497 -3.615 -3.615 198 2HB CYS 26 1HB CYS 26 -1.391 -2.436 -2.436 199 H LYS 27 H LYS 27 -3.800 -0.585 -0.585 200 HA LYS 27 HA LYS 27 -4.433 1.770 1.770 201 1HB LYS 27 2HB LYS 27 -6.607 -0.126 -0.126 202 2HB LYS 27 1HB LYS 27 -6.537 1.615 1.615 203 1HG LYS 27 2HG LYS 27 -4.194 0.843 0.843 204 2HG LYS 27 1HG LYS 27 -5.242 -0.513 -0.513 205 1HD LYS 27 2HD LYS 27 -5.844 0.867 0.867 206 2HD LYS 27 1HD LYS 27 -6.998 1.442 1.442 207 1HE LYS 27 2HE LYS 27 -5.399 3.267 3.267 208 2HE LYS 27 1HE LYS 27 -4.268 2.701 2.701 209 1HZ LYS 27 1HZ LYS 27 -5.978 4.567 4.567 210 2HZ LYS 27 2HZ LYS 27 -5.635 3.433 3.433 211 H CYS 28 H CYS 28 -5.574 2.672 2.672 212 HA CYS 28 HA CYS 28 -5.976 0.872 0.872 213 1HB CYS 28 2HB CYS 28 -4.976 3.378 3.378 214 2HB CYS 28 1HB CYS 28 -6.642 3.748 3.748 215 H TYR 29 H TYR 29 -7.972 0.033 0.033 216 HA TYR 29 HA TYR 29 -10.302 1.287 1.287 217 1HB TYR 29 2HB TYR 29 -11.045 -0.941 -0.941 218 2HB TYR 29 1HB TYR 29 -9.317 -1.233 -1.233 219 HD1 TYR 29 HD1 TYR 29 -8.245 -1.740 -1.740 220 HD2 TYR 29 HD2 TYR 29 -12.406 -2.154 -2.154 221 HE1 TYR 29 HE1 TYR 29 -8.522 -3.337 -3.337 222 HE2 TYR 29 HE2 TYR 29 -12.668 -3.750 -3.750 223 HH TYR 29 HH TYR 29 -9.966 -5.076 -5.076 224 H VAL 30 H VAL 30 -8.776 1.633 1.633 225 HA VAL 30 HA VAL 30 -11.221 1.347 1.347 226 HB VAL 30 HB VAL 30 -8.318 1.071 1.071 227 1HG1 VAL 30 3HG1 VAL 30 -10.568 1.939 1.939 228 2HG1 VAL 30 1HG1 VAL 30 -10.038 0.338 0.338 229 3HG1 VAL 30 2HG1 VAL 30 -8.879 1.687 1.687 230 1HG2 VAL 30 2HG2 VAL 30 -10.592 -0.850 -0.850 231 2HG2 VAL 30 3HG2 VAL 30 -8.879 -0.998 -0.998 232 3HG2 VAL 30 1HG2 VAL 30 -9.362 -1.196 -1.196 233 H LYS 31 H LYS 31 -8.418 2.930 2.930 234 HA LYS 31 HA LYS 31 -9.853 5.458 5.458 235 1HB LYS 31 2HB LYS 31 -8.475 4.147 4.147 236 2HB LYS 31 1HB LYS 31 -7.437 5.484 5.484 237 1HG LYS 31 2HG LYS 31 -9.375 7.057 7.057 238 2HG LYS 31 1HG LYS 31 -10.413 5.720 5.720 239 1HD LYS 31 2HD LYS 31 -8.112 5.593 5.593 240 2HD LYS 31 1HD LYS 31 -8.620 7.270 7.270 241 1HE LYS 31 2HE LYS 31 -11.039 6.341 6.341 242 2HE LYS 31 1HE LYS 31 -10.250 4.839 4.839 243 1HZ LYS 31 1HZ LYS 31 -9.494 5.738 5.738 244 2HZ LYS 31 2HZ LYS 31 -9.139 7.190 7.190 245 H LYS 32 H LYS 32 -9.456 6.360 6.360 246 HA LYS 32 HA LYS 32 -7.375 6.111 6.111 247 1HB LYS 32 2HB LYS 32 -8.590 8.821 8.821 248 2HB LYS 32 1HB LYS 32 -7.942 8.228 8.228 249 1HG LYS 32 2HG LYS 32 -10.048 7.565 7.565 250 2HG LYS 32 1HG LYS 32 -9.872 6.300 6.300 251 1HD LYS 32 2HD LYS 32 -11.929 7.709 7.709 252 2HD LYS 32 1HD LYS 32 -10.863 7.698 7.698 253 1HE LYS 32 2HE LYS 32 -10.226 9.920 9.920 254 2HE LYS 32 1HE LYS 32 -10.383 9.862 9.862 255 1HZ LYS 32 1HZ LYS 32 -12.557 10.148 10.148 256 2HZ LYS 32 2HZ LYS 32 -12.206 11.133 11.133 257 H CYS 33 H CYS 33 -5.325 7.134 7.134 258 HA CYS 33 HA CYS 33 -3.770 7.356 7.356 259 1HB CYS 33 2HB CYS 33 -2.633 6.736 6.736 260 2HB CYS 33 1HB CYS 33 -3.358 7.996 7.996 261 HA PRO 34 HA PRO 34 -4.588 11.506 11.506 262 1HB PRO 34 2HB PRO 34 -2.559 11.928 11.928 263 2HB PRO 34 1HB PRO 34 -4.051 11.110 11.110 264 1HG PRO 34 2HG PRO 34 -1.371 9.953 9.953 265 2HG PRO 34 1HG PRO 34 -2.746 9.241 9.241 266 1HD PRO 34 2HD PRO 34 -1.830 8.643 8.643 267 2HD PRO 34 1HD PRO 34 -3.271 8.018 8.018 268 H ARG 35 H ARG 35 -1.210 10.787 10.787 269 HA ARG 35 HA ARG 35 -1.230 12.815 12.815 270 1HB ARG 35 2HB ARG 35 0.490 14.284 14.284 271 2HB ARG 35 1HB ARG 35 -0.919 14.226 14.226 272 1HG ARG 35 2HG ARG 35 0.558 12.100 12.100 273 2HG ARG 35 1HG ARG 35 1.833 13.191 13.191 274 1HD ARG 35 2HD ARG 35 0.243 14.997 14.997 275 2HD ARG 35 1HD ARG 35 -0.249 13.563 13.563 276 HE ARG 35 HE ARG 35 2.669 13.912 13.912 277 1HH1 ARG 35 2HH2 ARG 35 -0.190 14.464 14.464 278 2HH1 ARG 35 1HH2 ARG 35 0.724 14.668 14.668 279 HH2 ARG 35 1HH ARG 35 3.113 14.497 14.497 280 H ASP 36 H ASP 36 0.439 12.419 12.419 281 HA ASP 36 HA ASP 36 1.526 10.074 10.074 282 1HB ASP 36 2HB ASP 36 2.054 11.499 11.499 283 2HB ASP 36 1HB ASP 36 2.455 12.832 12.832 284 HD1 ASP 36 2HD ASP 36 5.354 11.189 11.189 285 H GLY 37 H GLY 37 3.135 8.781 8.781 286 1HA GLY 37 1HA GLY 37 5.243 8.529 8.529 287 2HA GLY 37 2HA GLY 37 5.055 10.090 10.090 288 H ALA 38 H ALA 38 2.113 9.466 9.466 289 HA ALA 38 HA ALA 38 2.278 8.788 8.788 290 1HB ALA 38 2HB ALA 38 0.126 8.063 8.063 291 2HB ALA 38 3HB ALA 38 -0.089 7.961 7.961 292 3HB ALA 38 1HB ALA 38 0.219 9.536 9.536 293 H LYS 39 H LYS 39 2.933 7.061 7.061 294 HA LYS 39 HA LYS 39 3.830 4.729 4.729 295 1HB LYS 39 2HB LYS 39 4.821 5.750 5.750 296 2HB LYS 39 1HB LYS 39 3.427 5.183 5.183 297 1HG LYS 39 2HG LYS 39 4.044 2.840 2.840 298 2HG LYS 39 1HG LYS 39 5.628 3.574 3.574 299 1HD LYS 39 2HD LYS 39 6.016 2.922 2.922 300 2HD LYS 39 1HD LYS 39 4.915 4.193 4.193 301 1HE LYS 39 2HE LYS 39 3.409 2.663 2.663 302 2HE LYS 39 1HE LYS 39 3.339 1.920 1.920 303 1HZ LYS 39 1HZ LYS 39 5.348 0.637 0.637 304 2HZ LYS 39 2HZ LYS 39 5.362 1.302 1.302 305 H CYS 40 H CYS 40 3.028 2.548 2.548 306 HA CYS 40 HA CYS 40 0.364 2.261 2.261 307 1HB CYS 40 2HB CYS 40 0.012 0.988 0.988 308 2HB CYS 40 1HB CYS 40 -0.662 2.542 2.542 309 H GLU 41 H GLU 41 -0.235 -0.290 -0.290 310 HA GLU 41 HA GLU 41 2.138 -1.883 -1.883 311 1HB GLU 41 2HB GLU 41 0.715 -3.033 -3.033 312 2HB GLU 41 1HB GLU 41 2.252 -2.195 -2.195 313 1HG GLU 41 2HG GLU 41 -0.323 -0.594 -0.594 314 2HG GLU 41 1HG GLU 41 0.201 -1.360 -1.360 315 HE1 GLU 41 2HE GLU 41 2.767 -0.158 -0.158 316 H PHE 42 H PHE 42 1.737 -3.605 -3.605 317 HA PHE 42 HA PHE 42 -1.035 -4.150 -4.150 318 1HB PHE 42 2HB PHE 42 0.393 -3.982 -3.982 319 2HB PHE 42 1HB PHE 42 1.752 -4.707 -4.707 320 HD1 PHE 42 1HD PHE 42 1.838 -7.171 -7.171 321 HD2 PHE 42 2HD PHE 42 -1.175 -5.323 -5.323 322 HE1 PHE 42 1HE PHE 42 1.320 -9.380 -9.380 323 HE2 PHE 42 2HE PHE 42 -1.693 -7.531 -7.531 324 HZ PHE 42 HZ PHE 42 -0.439 -9.534 -9.534 325 H ASP 43 H ASP 43 -2.152 -5.745 -5.745 326 HA ASP 43 HA ASP 43 -0.782 -7.534 -7.534 327 1HB ASP 43 2HB ASP 43 -3.651 -7.132 -7.132 328 2HB ASP 43 1HB ASP 43 -3.230 -8.598 -8.598 329 HD2 ASP 43 2HD ASP 43 -4.763 -7.231 -7.231 330 H SER 44 H SER 44 -0.005 -9.587 -9.587 331 HA SER 44 HA SER 44 -0.289 -10.424 -10.424 332 1HB SER 44 2HB SER 44 1.342 -11.123 -11.123 333 2HB SER 44 1HB SER 44 0.857 -12.546 -12.546 334 HG SER 44 HG SER 44 1.724 -11.544 -11.544 335 H TYR 45 H TYR 45 -2.442 -10.508 -10.508 336 HA TYR 45 HA TYR 45 -3.317 -13.258 -13.258 337 1HB TYR 45 2HB TYR 45 -4.830 -11.217 -11.217 338 2HB TYR 45 1HB TYR 45 -4.404 -12.858 -12.858 339 HD1 TYR 45 HD1 TYR 45 -1.617 -13.106 -13.106 340 HD2 TYR 45 HD2 TYR 45 -3.927 -9.613 -9.613 341 HE1 TYR 45 HE1 TYR 45 0.266 -12.219 -12.219 342 HE2 TYR 45 HE2 TYR 45 -2.037 -8.738 -8.738 343 HH TYR 45 HH TYR 45 0.541 -9.116 -9.116 344 H LYS 46 H LYS 46 -4.360 -9.847 -9.847 345 HA LYS 46 HA LYS 46 -6.539 -10.925 -10.925 346 1HB LYS 46 2HB LYS 46 -6.452 -8.646 -8.646 347 2HB LYS 46 1HB LYS 46 -7.475 -8.497 -8.497 348 1HG LYS 46 2HG LYS 46 -7.759 -11.151 -11.151 349 2HG LYS 46 1HG LYS 46 -8.076 -9.887 -9.887 350 1HD LYS 46 2HD LYS 46 -9.587 -8.806 -8.806 351 2HD LYS 46 1HD LYS 46 -9.462 -10.337 -10.337 352 1HE LYS 46 2HE LYS 46 -10.307 -10.235 -10.235 353 2HE LYS 46 1HE LYS 46 -11.475 -9.980 -9.980 354 1HZ LYS 46 1HZ LYS 46 -9.732 -12.380 -12.380 355 2HZ LYS 46 2HZ LYS 46 -11.254 -12.346 -12.346 356 H GLY 47 H GLY 47 -3.958 -8.457 -8.457 357 1HA GLY 47 1HA GLY 47 -2.622 -7.609 -7.609 358 2HA GLY 47 2HA GLY 47 -3.615 -8.371 -8.371 359 H LYS 48 H LYS 48 -3.985 -5.840 -5.840 360 HA LYS 48 HA LYS 48 -5.664 -4.347 -4.347 361 1HB LYS 48 2HB LYS 48 -5.336 -4.061 -4.061 362 2HB LYS 48 1HB LYS 48 -6.416 -3.115 -3.115 363 1HG LYS 48 2HG LYS 48 -6.583 -6.047 -6.047 364 2HG LYS 48 1HG LYS 48 -7.831 -4.821 -4.821 365 1HD LYS 48 2HD LYS 48 -7.835 -4.715 -4.715 366 2HD LYS 48 1HD LYS 48 -6.698 -6.049 -6.049 367 1HE LYS 48 2HE LYS 48 -8.384 -7.546 -7.546 368 2HE LYS 48 1HE LYS 48 -8.895 -6.767 -6.767 369 1HZ LYS 48 1HZ LYS 48 -9.826 -6.205 -6.205 370 2HZ LYS 48 2HZ LYS 48 -10.720 -6.515 -6.515 371 H CYS 49 H CYS 49 -3.748 -3.037 -3.037 372 HA CYS 49 HA CYS 49 -1.482 -2.234 -2.234 373 1HB CYS 49 2HB CYS 49 -2.041 0.124 0.124 374 2HB CYS 49 1HB CYS 49 -2.180 -1.261 -1.261 375 H TYR 50 H TYR 50 -4.430 -1.536 -1.536 376 HA TYR 50 HA TYR 50 -4.883 -0.200 -0.200 377 1HB TYR 50 2HB TYR 50 -2.198 -1.590 -1.590 378 2HB TYR 50 1HB TYR 50 -3.020 -0.701 -0.701 379 HD1 TYR 50 HD2 TYR 50 -3.512 -3.516 -3.516 380 HD2 TYR 50 HD1 TYR 50 -4.668 -1.747 -1.747 381 HE1 TYR 50 HE2 TYR 50 -4.896 -5.575 -5.575 382 HE2 TYR 50 HE1 TYR 50 -6.049 -3.812 -3.812 383 HH TYR 50 HH TYR 50 -6.963 -6.008 -6.008 384 H CYS 51 H CYS 51 -4.577 1.837 1.837 385 HA CYS 51 HA CYS 51 -2.066 3.181 3.181 386 1HB CYS 51 2HB CYS 51 -4.495 4.031 4.031 387 2HB CYS 51 1HB CYS 51 -3.021 4.966 4.966 Start of MODEL 40 1 H ALA 1 H ALA 1 4.371 -10.846 -10.846 2 HA ALA 1 HA ALA 1 4.923 -11.053 -11.053 3 1HB ALA 1 3HB ALA 1 2.482 -12.524 -12.524 4 2HB ALA 1 1HB ALA 1 2.456 -11.777 -11.777 5 3HB ALA 1 2HB ALA 1 3.808 -12.835 -12.835 6 H THR 2 H THR 2 2.717 -8.784 -8.784 7 HA THR 2 HA THR 2 1.763 -7.566 -7.566 8 HB THR 2 HB THR 2 2.601 -6.075 -6.075 9 HG1 THR 2 1HG THR 2 0.297 -7.832 -7.832 10 1HG2 THR 2 3HG2 THR 2 1.270 -4.961 -4.961 11 2HG2 THR 2 1HG2 THR 2 -0.042 -6.102 -6.102 12 3HG2 THR 2 2HG2 THR 2 0.493 -4.920 -4.920 13 H TYR 3 H TYR 3 2.601 -6.324 -6.324 14 HA TYR 3 HA TYR 3 5.475 -5.876 -5.876 15 1HB TYR 3 2HB TYR 3 3.399 -5.312 -5.312 16 2HB TYR 3 1HB TYR 3 5.125 -5.512 -5.512 17 HD1 TYR 3 HD1 TYR 3 5.921 -7.932 -7.932 18 HD2 TYR 3 HD2 TYR 3 2.165 -7.056 -7.056 19 HE1 TYR 3 HE1 TYR 3 5.566 -10.406 -10.406 20 HE2 TYR 3 HE2 TYR 3 1.823 -9.533 -9.533 21 HH TYR 3 HH TYR 3 2.840 -11.502 -11.502 22 H ASN 4 H ASN 4 6.264 -3.963 -3.963 23 HA ASN 4 HA ASN 4 4.514 -1.779 -1.779 24 1HB ASN 4 2HB ASN 4 7.531 -1.487 -1.487 25 2HB ASN 4 1HB ASN 4 6.337 -0.753 -0.753 26 1HD2 ASN 4 2HD2 ASN 4 5.720 -3.871 -3.871 27 2HD2 ASN 4 1HD2 ASN 4 4.830 -2.672 -2.672 28 H GLY 5 H GLY 5 4.884 0.415 0.415 29 1HA GLY 5 1HA GLY 5 6.653 0.915 0.915 30 2HA GLY 5 2HA GLY 5 5.195 0.260 0.260 31 H LYS 6 H LYS 6 4.615 2.258 2.258 32 HA LYS 6 HA LYS 6 3.368 4.115 4.115 33 1HB LYS 6 2HB LYS 6 4.998 5.302 5.302 34 2HB LYS 6 1HB LYS 6 4.474 6.017 6.017 35 1HG LYS 6 2HG LYS 6 6.769 5.636 5.636 36 2HG LYS 6 1HG LYS 6 6.022 4.246 4.246 37 1HD LYS 6 2HD LYS 6 6.783 2.762 2.762 38 2HD LYS 6 1HD LYS 6 6.693 3.947 3.947 39 1HE LYS 6 2HE LYS 6 8.708 4.527 4.527 40 2HE LYS 6 1HE LYS 6 9.044 3.118 3.118 41 1HZ LYS 6 1HZ LYS 6 8.656 5.896 5.896 42 2HZ LYS 6 2HZ LYS 6 9.987 4.972 4.972 43 H CYS 7 H CYS 7 1.809 5.583 5.583 44 HA CYS 7 HA CYS 7 0.931 4.343 4.343 45 1HB CYS 7 2HB CYS 7 -0.549 3.489 3.489 46 2HB CYS 7 1HB CYS 7 -0.740 5.059 5.059 47 H TYR 8 H TYR 8 -0.335 5.888 5.888 48 HA TYR 8 HA TYR 8 0.399 8.670 8.670 49 1HB TYR 8 2HB TYR 8 -0.111 7.252 7.252 50 2HB TYR 8 1HB TYR 8 0.546 8.865 8.865 51 HD1 TYR 8 HD1 TYR 8 2.323 7.795 7.795 52 HD2 TYR 8 HD2 TYR 8 1.834 6.683 6.683 53 HE1 TYR 8 HE1 TYR 8 4.678 6.837 6.837 54 HE2 TYR 8 HE2 TYR 8 4.190 5.728 5.728 55 HH TYR 8 HH TYR 8 6.418 6.393 6.393 56 H LYS 9 H LYS 9 -1.122 10.332 10.332 57 HA LYS 9 HA LYS 9 -3.848 9.384 9.384 58 1HB LYS 9 2HB LYS 9 -4.403 11.688 11.688 59 2HB LYS 9 1HB LYS 9 -3.070 11.168 11.168 60 1HG LYS 9 2HG LYS 9 -1.459 12.248 12.248 61 2HG LYS 9 1HG LYS 9 -2.815 12.808 12.808 62 1HD LYS 9 2HD LYS 9 -2.826 13.466 13.466 63 2HD LYS 9 1HD LYS 9 -1.694 14.334 14.334 64 1HE LYS 9 2HE LYS 9 -3.945 14.536 14.536 65 2HE LYS 9 1HE LYS 9 -4.688 14.444 14.444 66 1HZ LYS 9 1HZ LYS 9 -2.593 16.213 16.213 67 2HZ LYS 9 2HZ LYS 9 -3.240 16.616 16.616 68 H LYS 10 H LYS 10 -1.786 11.455 11.455 69 HA LYS 10 HA LYS 10 -3.704 12.006 12.006 70 1HB LYS 10 2HB LYS 10 -0.966 12.455 12.455 71 2HB LYS 10 1HB LYS 10 -1.064 11.579 11.579 72 1HG LYS 10 2HG LYS 10 -2.944 13.216 13.216 73 2HG LYS 10 1HG LYS 10 -2.510 14.162 14.162 74 1HD LYS 10 2HD LYS 10 -0.173 14.378 14.378 75 2HD LYS 10 1HD LYS 10 -0.585 13.407 13.407 76 1HE LYS 10 2HE LYS 10 -2.550 15.296 15.296 77 2HE LYS 10 1HE LYS 10 -1.322 16.246 16.246 78 1HZ LYS 10 1HZ LYS 10 -0.001 16.207 16.207 79 2HZ LYS 10 2HZ LYS 10 -0.358 14.670 14.670 80 H ASP 11 H ASP 11 -1.861 9.032 9.032 81 HA ASP 11 HA ASP 11 -3.027 7.902 7.902 82 1HB ASP 11 2HB ASP 11 -0.911 6.716 6.716 83 2HB ASP 11 1HB ASP 11 -1.391 6.077 6.077 84 HD1 ASP 11 2HD ASP 11 -0.749 9.606 9.606 85 H ASN 12 H ASN 12 -3.261 8.097 8.097 86 HA ASN 12 HA ASN 12 -4.295 6.965 6.965 87 1HB ASN 12 2HB ASN 12 -6.148 7.647 7.647 88 2HB ASN 12 1HB ASN 12 -6.332 5.907 5.907 89 1HD2 ASN 12 2HD2 ASN 12 -8.448 5.763 5.763 90 2HD2 ASN 12 1HD2 ASN 12 -7.960 5.224 5.224 91 H ILE 13 H ILE 13 -2.197 5.423 5.423 92 HA ILE 13 HA ILE 13 -3.291 2.736 2.736 93 HB ILE 13 HB ILE 13 -1.409 2.129 2.129 94 1HG1 ILE 13 2HG1 ILE 13 -1.051 3.794 3.794 95 2HG1 ILE 13 3HG1 ILE 13 -2.029 4.964 4.964 96 1HG2 ILE 13 1HG2 ILE 13 -4.163 3.192 3.192 97 2HG2 ILE 13 2HG2 ILE 13 -3.119 2.553 2.553 98 3HG2 ILE 13 3HG2 ILE 13 -3.591 1.508 1.508 99 1HD1 ILE 13 1HD1 ILE 13 0.304 3.691 3.691 100 2HD1 ILE 13 2HD1 ILE 13 0.613 4.983 4.983 101 3HD1 ILE 13 3HD1 ILE 13 -0.419 5.301 5.301 102 H CYS 14 H CYS 14 -1.920 1.249 1.249 103 HA CYS 14 HA CYS 14 0.087 2.606 2.606 104 1HB CYS 14 2HB CYS 14 -1.080 1.442 1.442 105 2HB CYS 14 1HB CYS 14 -1.679 0.285 0.285 106 H LYS 15 H LYS 15 2.154 2.588 2.588 107 HA LYS 15 HA LYS 15 2.893 0.375 0.375 108 1HB LYS 15 2HB LYS 15 3.522 3.226 3.226 109 2HB LYS 15 1HB LYS 15 4.962 2.238 2.238 110 1HG LYS 15 2HG LYS 15 4.475 2.289 2.289 111 2HG LYS 15 1HG LYS 15 3.379 0.982 0.982 112 1HD LYS 15 2HD LYS 15 1.489 2.306 2.306 113 2HD LYS 15 1HD LYS 15 2.289 3.739 3.739 114 1HE LYS 15 2HE LYS 15 3.211 4.299 4.299 115 2HE LYS 15 1HE LYS 15 3.158 2.647 2.647 116 1HZ LYS 15 1HZ LYS 15 1.397 4.246 4.246 117 2HZ LYS 15 2HZ LYS 15 0.844 2.805 2.805 118 H TYR 16 H TYR 16 3.640 -1.362 -1.362 119 HA TYR 16 HA TYR 16 5.747 -0.814 -0.814 120 1HB TYR 16 2HB TYR 16 4.668 -2.606 -2.606 121 2HB TYR 16 1HB TYR 16 3.525 -1.311 -1.311 122 HD1 TYR 16 HD1 TYR 16 1.949 -1.634 -1.634 123 HD2 TYR 16 HD2 TYR 16 4.024 -4.809 -4.809 124 HE1 TYR 16 HE1 TYR 16 0.297 -3.316 -3.316 125 HE2 TYR 16 HE2 TYR 16 2.365 -6.480 -6.480 126 HH TYR 16 HH TYR 16 0.310 -6.645 -6.645 127 H LYS 17 H LYS 17 6.417 -3.403 -3.403 128 HA LYS 17 HA LYS 17 7.641 -4.273 -4.273 129 1HB LYS 17 2HB LYS 17 7.932 -4.911 -4.911 130 2HB LYS 17 1HB LYS 17 8.545 -6.051 -6.051 131 1HG LYS 17 2HG LYS 17 9.241 -3.211 -3.211 132 2HG LYS 17 1HG LYS 17 9.927 -3.836 -3.836 133 1HD LYS 17 2HD LYS 17 10.875 -5.784 -5.784 134 2HD LYS 17 1HD LYS 17 10.185 -5.165 -5.165 135 1HE LYS 17 2HE LYS 17 11.762 -3.482 -3.482 136 2HE LYS 17 1HE LYS 17 11.864 -3.217 -3.217 137 1HZ LYS 17 1HZ LYS 17 12.863 -5.798 -5.798 138 2HZ LYS 17 2HZ LYS 17 13.713 -4.558 -4.558 139 H ALA 18 H ALA 18 7.511 -6.497 -6.497 140 HA ALA 18 HA ALA 18 4.850 -7.626 -7.626 141 1HB ALA 18 1HB ALA 18 5.370 -6.655 -6.655 142 2HB ALA 18 2HB ALA 18 6.546 -7.977 -7.977 143 3HB ALA 18 3HB ALA 18 4.818 -8.347 -8.347 144 H GLN 19 H GLN 19 7.027 -8.152 -8.152 145 HA GLN 19 HA GLN 19 7.961 -9.837 -9.837 146 1HB GLN 19 2HB GLN 19 6.118 -11.266 -11.266 147 2HB GLN 19 1HB GLN 19 6.128 -11.325 -11.325 148 1HG GLN 19 2HG GLN 19 6.883 -13.486 -13.486 149 2HG GLN 19 1HG GLN 19 8.220 -12.702 -12.702 150 1HE2 GLN 19 2HE2 GLN 19 8.135 -12.740 -12.740 151 2HE2 GLN 19 1HE2 GLN 19 6.684 -12.612 -12.612 152 H SER 20 H SER 20 7.901 -10.695 -10.695 153 HA SER 20 HA SER 20 10.252 -12.002 -12.002 154 1HB SER 20 2HB SER 20 10.152 -10.445 -10.445 155 2HB SER 20 1HB SER 20 9.569 -12.082 -12.082 156 HG SER 20 HG SER 20 7.625 -11.268 -11.268 157 H GLY 21 H GLY 21 9.662 -8.521 -8.521 158 1HA GLY 21 1HA GLY 21 11.496 -7.334 -7.334 159 2HA GLY 21 2HA GLY 21 12.586 -8.065 -8.065 160 H LYS 22 H LYS 22 10.083 -7.716 -7.716 161 HA LYS 22 HA LYS 22 11.102 -5.331 -5.331 162 1HB LYS 22 2HB LYS 22 10.261 -7.266 -7.266 163 2HB LYS 22 1HB LYS 22 8.641 -6.957 -6.957 164 1HG LYS 22 2HG LYS 22 9.107 -4.492 -4.492 165 2HG LYS 22 1HG LYS 22 10.312 -5.307 -5.307 166 1HD LYS 22 2HD LYS 22 8.591 -6.837 -6.837 167 2HD LYS 22 1HD LYS 22 7.373 -6.133 -6.133 168 1HE LYS 22 2HE LYS 22 8.936 -4.508 -4.508 169 2HE LYS 22 1HE LYS 22 7.394 -5.263 -5.263 170 1HZ LYS 22 1HZ LYS 22 7.249 -3.764 -3.764 171 2HZ LYS 22 2HZ LYS 22 7.760 -2.810 -2.810 172 H THR 23 H THR 23 7.677 -5.387 -5.387 173 HA THR 23 HA THR 23 7.114 -3.780 -3.780 174 HB THR 23 HB THR 23 7.455 -2.497 -2.497 175 HG1 THR 23 1HG THR 23 9.337 -2.221 -2.221 176 1HG2 THR 23 2HG2 THR 23 5.574 -1.828 -1.828 177 2HG2 THR 23 3HG2 THR 23 6.824 -0.568 -0.568 178 3HG2 THR 23 1HG2 THR 23 5.836 -0.994 -0.994 179 H ALA 24 H ALA 24 4.871 -3.398 -3.398 180 HA ALA 24 HA ALA 24 3.172 -4.648 -4.648 181 1HB ALA 24 1HB ALA 24 3.551 -5.421 -5.421 182 2HB ALA 24 2HB ALA 24 1.910 -5.505 -5.505 183 3HB ALA 24 3HB ALA 24 3.231 -6.442 -6.442 184 H ILE 25 H ILE 25 1.211 -3.596 -3.596 185 HA ILE 25 HA ILE 25 0.819 -1.227 -1.227 186 HB ILE 25 HB ILE 25 -0.193 -1.550 -1.550 187 1HG1 ILE 25 2HG1 ILE 25 2.476 -0.350 -0.350 188 2HG1 ILE 25 3HG1 ILE 25 2.275 -1.915 -1.915 189 1HG2 ILE 25 2HG2 ILE 25 0.106 0.699 0.699 190 2HG2 ILE 25 3HG2 ILE 25 0.137 1.033 1.033 191 3HG2 ILE 25 1HG2 ILE 25 -1.283 0.248 0.248 192 1HD1 ILE 25 3HD1 ILE 25 0.976 -0.683 -0.683 193 2HD1 ILE 25 1HD1 ILE 25 1.609 0.819 0.819 194 3HD1 ILE 25 2HD1 ILE 25 2.733 -0.404 -0.404 195 H CYS 26 H CYS 26 -1.258 -0.787 -0.787 196 HA CYS 26 HA CYS 26 -3.371 -2.627 -2.627 197 1HB CYS 26 2HB CYS 26 -3.839 -3.186 -3.186 198 2HB CYS 26 1HB CYS 26 -2.371 -3.904 -3.904 199 H LYS 27 H LYS 27 -4.870 -1.080 -1.080 200 HA LYS 27 HA LYS 27 -4.939 1.522 1.522 201 1HB LYS 27 2HB LYS 27 -7.445 -0.170 -0.170 202 2HB LYS 27 1HB LYS 27 -7.258 1.513 1.513 203 1HG LYS 27 2HG LYS 27 -5.348 0.513 0.513 204 2HG LYS 27 1HG LYS 27 -6.286 -0.957 -0.957 205 1HD LYS 27 2HD LYS 27 -8.350 0.634 0.634 206 2HD LYS 27 1HD LYS 27 -7.119 1.685 1.685 207 1HE LYS 27 2HE LYS 27 -6.301 -0.228 -0.228 208 2HE LYS 27 1HE LYS 27 -7.589 -1.231 -1.231 209 1HZ LYS 27 1HZ LYS 27 -7.979 0.075 0.075 210 2HZ LYS 27 2HZ LYS 27 -9.193 0.023 0.023 211 H CYS 28 H CYS 28 -5.876 2.903 2.903 212 HA CYS 28 HA CYS 28 -5.732 1.784 1.784 213 1HB CYS 28 2HB CYS 28 -5.183 4.232 4.232 214 2HB CYS 28 1HB CYS 28 -6.772 4.532 4.532 215 H TYR 29 H TYR 29 -7.449 0.840 0.840 216 HA TYR 29 HA TYR 29 -10.119 1.341 1.341 217 1HB TYR 29 2HB TYR 29 -10.532 -0.860 -0.860 218 2HB TYR 29 1HB TYR 29 -8.818 -0.971 -0.971 219 HD1 TYR 29 HD1 TYR 29 -7.152 -0.919 -0.919 220 HD2 TYR 29 HD2 TYR 29 -11.354 -0.865 -0.865 221 HE1 TYR 29 HE1 TYR 29 -6.705 -1.549 -1.549 222 HE2 TYR 29 HE2 TYR 29 -10.893 -1.495 -1.495 223 HH TYR 29 HH TYR 29 -7.680 -2.388 -2.388 224 H VAL 30 H VAL 30 -8.301 2.965 2.965 225 HA VAL 30 HA VAL 30 -10.214 2.960 2.960 226 HB VAL 30 HB VAL 30 -8.534 4.147 4.147 227 1HG1 VAL 30 1HG1 VAL 30 -7.950 1.595 1.595 228 2HG1 VAL 30 2HG1 VAL 30 -6.499 2.430 2.430 229 3HG1 VAL 30 3HG1 VAL 30 -7.836 2.047 2.047 230 1HG2 VAL 30 2HG2 VAL 30 -7.619 4.951 4.951 231 2HG2 VAL 30 3HG2 VAL 30 -7.078 5.516 5.516 232 3HG2 VAL 30 1HG2 VAL 30 -6.280 4.123 4.123 233 H LYS 31 H LYS 31 -9.052 5.862 5.862 234 HA LYS 31 HA LYS 31 -11.158 7.106 7.106 235 1HB LYS 31 2HB LYS 31 -10.201 7.403 7.403 236 2HB LYS 31 1HB LYS 31 -9.943 8.920 8.920 237 1HG LYS 31 2HG LYS 31 -12.356 8.782 8.782 238 2HG LYS 31 1HG LYS 31 -12.573 7.383 7.383 239 1HD LYS 31 2HD LYS 31 -13.069 8.798 8.798 240 2HD LYS 31 1HD LYS 31 -11.393 9.312 9.312 241 1HE LYS 31 2HE LYS 31 -12.752 11.305 11.305 242 2HE LYS 31 1HE LYS 31 -11.979 11.018 11.018 243 1HZ LYS 31 1HZ LYS 31 -14.784 10.881 10.881 244 2HZ LYS 31 2HZ LYS 31 -14.084 11.138 11.138 245 H LYS 32 H LYS 32 -9.094 6.296 6.296 246 HA LYS 32 HA LYS 32 -7.623 7.004 7.004 247 1HB LYS 32 2HB LYS 32 -9.267 8.514 8.514 248 2HB LYS 32 1HB LYS 32 -9.056 9.591 9.591 249 1HG LYS 32 2HG LYS 32 -6.488 9.311 9.311 250 2HG LYS 32 1HG LYS 32 -7.668 9.612 9.612 251 1HD LYS 32 2HD LYS 32 -6.675 11.718 11.718 252 2HD LYS 32 1HD LYS 32 -8.425 11.658 11.658 253 1HE LYS 32 2HE LYS 32 -8.446 11.285 11.285 254 2HE LYS 32 1HE LYS 32 -6.841 10.580 10.580 255 1HZ LYS 32 1HZ LYS 32 -5.861 12.703 12.703 256 2HZ LYS 32 2HZ LYS 32 -7.228 13.432 13.432 257 H CYS 33 H CYS 33 -5.439 7.651 7.651 258 HA CYS 33 HA CYS 33 -4.070 7.800 7.800 259 1HB CYS 33 2HB CYS 33 -3.356 7.168 7.168 260 2HB CYS 33 1HB CYS 33 -2.817 8.835 8.835 261 HA PRO 34 HA PRO 34 -4.348 12.078 12.078 262 1HB PRO 34 2HB PRO 34 -2.369 12.342 12.342 263 2HB PRO 34 1HB PRO 34 -3.973 11.748 11.748 264 1HG PRO 34 2HG PRO 34 -1.448 10.232 10.232 265 2HG PRO 34 1HG PRO 34 -2.942 9.751 9.751 266 1HD PRO 34 2HD PRO 34 -1.987 8.886 8.886 267 2HD PRO 34 1HD PRO 34 -3.532 8.497 8.497 268 H ARG 35 H ARG 35 -1.263 10.726 10.726 269 HA ARG 35 HA ARG 35 -0.868 12.638 12.638 270 1HB ARG 35 2HB ARG 35 1.040 13.934 13.934 271 2HB ARG 35 1HB ARG 35 -0.467 14.241 14.241 272 1HG ARG 35 2HG ARG 35 0.710 11.974 11.974 273 2HG ARG 35 1HG ARG 35 2.009 13.126 13.126 274 1HD ARG 35 2HD ARG 35 0.237 14.888 14.888 275 2HD ARG 35 1HD ARG 35 -0.556 13.468 13.468 276 HE ARG 35 HE ARG 35 2.335 13.636 13.636 277 1HH1 ARG 35 2HH2 ARG 35 -0.935 14.340 14.340 278 2HH1 ARG 35 1HH2 ARG 35 -0.450 14.457 14.457 279 HH2 ARG 35 1HH ARG 35 1.853 14.131 14.131 280 H ASP 36 H ASP 36 1.186 12.248 12.248 281 HA ASP 36 HA ASP 36 1.909 9.640 9.640 282 1HB ASP 36 2HB ASP 36 2.630 10.758 10.758 283 2HB ASP 36 1HB ASP 36 3.030 12.215 12.215 284 HD2 ASP 36 2HD ASP 36 5.814 11.635 11.635 285 H GLY 37 H GLY 37 3.326 8.363 8.363 286 1HA GLY 37 1HA GLY 37 5.460 8.176 8.176 287 2HA GLY 37 2HA GLY 37 5.220 9.770 9.770 288 H ALA 38 H ALA 38 2.216 9.079 9.079 289 HA ALA 38 HA ALA 38 2.238 8.526 8.526 290 1HB ALA 38 2HB ALA 38 0.333 9.156 9.156 291 2HB ALA 38 3HB ALA 38 0.059 7.397 7.397 292 3HB ALA 38 1HB ALA 38 -0.072 8.277 8.277 293 H LYS 39 H LYS 39 3.103 6.870 6.870 294 HA LYS 39 HA LYS 39 3.874 4.467 4.467 295 1HB LYS 39 2HB LYS 39 4.873 5.526 5.526 296 2HB LYS 39 1HB LYS 39 3.456 5.036 5.036 297 1HG LYS 39 2HG LYS 39 4.001 2.630 2.630 298 2HG LYS 39 1HG LYS 39 5.605 3.303 3.303 299 1HD LYS 39 2HD LYS 39 5.622 3.946 3.946 300 2HD LYS 39 1HD LYS 39 4.074 3.147 3.147 301 1HE LYS 39 2HE LYS 39 5.603 1.192 1.192 302 2HE LYS 39 1HE LYS 39 6.782 1.968 1.968 303 1HZ LYS 39 1HZ LYS 39 4.511 1.651 1.651 304 2HZ LYS 39 2HZ LYS 39 4.659 0.241 0.241 305 H CYS 40 H CYS 40 3.040 2.302 2.302 306 HA CYS 40 HA CYS 40 0.503 1.926 1.926 307 1HB CYS 40 2HB CYS 40 -0.647 2.765 2.765 308 2HB CYS 40 1HB CYS 40 0.635 2.445 2.445 309 H GLU 41 H GLU 41 -0.149 -0.442 -0.442 310 HA GLU 41 HA GLU 41 2.133 -2.041 -2.041 311 1HB GLU 41 2HB GLU 41 0.519 -2.954 -2.954 312 2HB GLU 41 1HB GLU 41 2.199 -3.270 -3.270 313 1HG GLU 41 2HG GLU 41 2.819 -0.954 -0.954 314 2HG GLU 41 1HG GLU 41 1.137 -0.528 -0.528 315 HE2 GLU 41 2HE GLU 41 1.939 -0.920 -0.920 316 H PHE 42 H PHE 42 1.616 -4.045 -4.045 317 HA PHE 42 HA PHE 42 -1.205 -4.263 -4.263 318 1HB PHE 42 2HB PHE 42 0.537 -4.100 -4.100 319 2HB PHE 42 1HB PHE 42 1.434 -5.422 -5.422 320 HD1 PHE 42 1HD PHE 42 0.477 -7.733 -7.733 321 HD2 PHE 42 2HD PHE 42 -1.279 -4.509 -4.509 322 HE1 PHE 42 1HE PHE 42 -0.775 -9.365 -9.365 323 HE2 PHE 42 2HE PHE 42 -2.531 -6.141 -6.141 324 HZ PHE 42 HZ PHE 42 -2.264 -8.549 -8.549 325 H ASP 43 H ASP 43 -2.350 -5.583 -5.583 326 HA ASP 43 HA ASP 43 -1.108 -7.564 -7.564 327 1HB ASP 43 2HB ASP 43 -4.038 -7.144 -7.144 328 2HB ASP 43 1HB ASP 43 -3.503 -8.290 -8.290 329 HD2 ASP 43 2HD ASP 43 -3.905 -5.824 -5.824 330 H SER 44 H SER 44 -0.195 -9.371 -9.371 331 HA SER 44 HA SER 44 -1.249 -10.302 -10.302 332 1HB SER 44 2HB SER 44 0.687 -11.549 -11.549 333 2HB SER 44 1HB SER 44 1.215 -10.382 -10.382 334 HG SER 44 HG SER 44 0.448 -11.974 -11.974 335 H TYR 45 H TYR 45 -2.445 -10.528 -10.528 336 HA TYR 45 HA TYR 45 -2.998 -13.328 -13.328 337 1HB TYR 45 2HB TYR 45 -4.531 -11.047 -11.047 338 2HB TYR 45 1HB TYR 45 -4.120 -12.605 -12.605 339 HD1 TYR 45 HD1 TYR 45 -1.158 -12.633 -12.633 340 HD2 TYR 45 HD2 TYR 45 -3.653 -9.595 -9.595 341 HE1 TYR 45 HE1 TYR 45 0.865 -11.592 -11.592 342 HE2 TYR 45 HE2 TYR 45 -1.621 -8.565 -8.565 343 HH TYR 45 HH TYR 45 0.623 -9.418 -9.418 344 H LYS 46 H LYS 46 -4.648 -10.397 -10.397 345 HA LYS 46 HA LYS 46 -6.747 -12.178 -12.178 346 1HB LYS 46 2HB LYS 46 -7.254 -9.351 -9.351 347 2HB LYS 46 1HB LYS 46 -8.433 -10.556 -10.556 348 1HG LYS 46 2HG LYS 46 -7.296 -11.992 -11.992 349 2HG LYS 46 1HG LYS 46 -6.773 -10.421 -10.421 350 1HD LYS 46 2HD LYS 46 -9.346 -9.780 -9.780 351 2HD LYS 46 1HD LYS 46 -9.578 -11.510 -11.510 352 1HE LYS 46 2HE LYS 46 -7.819 -10.293 -10.293 353 2HE LYS 46 1HE LYS 46 -9.486 -9.755 -9.755 354 1HZ LYS 46 1HZ LYS 46 -8.615 -12.596 -12.596 355 2HZ LYS 46 2HZ LYS 46 -9.200 -11.766 -11.766 356 H GLY 47 H GLY 47 -4.923 -9.078 -9.078 357 1HA GLY 47 1HA GLY 47 -3.850 -8.607 -8.607 358 2HA GLY 47 2HA GLY 47 -5.177 -9.377 -9.377 359 H LYS 48 H LYS 48 -5.587 -7.184 -7.184 360 HA LYS 48 HA LYS 48 -7.413 -5.585 -5.585 361 1HB LYS 48 2HB LYS 48 -6.219 -5.380 -5.380 362 2HB LYS 48 1HB LYS 48 -7.355 -4.205 -4.205 363 1HG LYS 48 2HG LYS 48 -7.953 -7.194 -7.194 364 2HG LYS 48 1HG LYS 48 -8.343 -6.166 -6.166 365 1HD LYS 48 2HD LYS 48 -9.808 -4.770 -4.770 366 2HD LYS 48 1HD LYS 48 -9.299 -5.598 -5.598 367 1HE LYS 48 2HE LYS 48 -10.501 -7.225 -7.225 368 2HE LYS 48 1HE LYS 48 -11.568 -6.280 -6.280 369 1HZ LYS 48 1HZ LYS 48 -11.432 -8.212 -8.212 370 2HZ LYS 48 2HZ LYS 48 -10.154 -7.455 -7.455 371 H CYS 49 H CYS 49 -5.562 -3.489 -3.489 372 HA CYS 49 HA CYS 49 -3.356 -2.803 -2.803 373 1HB CYS 49 2HB CYS 49 -4.083 -2.654 -2.654 374 2HB CYS 49 1HB CYS 49 -5.678 -2.080 -2.080 375 H TYR 50 H TYR 50 -3.226 -2.101 -2.101 376 HA TYR 50 HA TYR 50 -5.001 -0.186 -0.186 377 1HB TYR 50 2HB TYR 50 -2.190 -1.276 -1.276 378 2HB TYR 50 1HB TYR 50 -2.829 0.005 0.005 379 HD1 TYR 50 HD2 TYR 50 -4.397 -3.095 -3.095 380 HD2 TYR 50 HD1 TYR 50 -3.391 -0.862 -0.862 381 HE1 TYR 50 HE2 TYR 50 -5.582 -4.818 -4.818 382 HE2 TYR 50 HE1 TYR 50 -4.580 -2.593 -2.593 383 HH TYR 50 HH TYR 50 -6.172 -4.248 -4.248 384 H CYS 51 H CYS 51 -4.715 1.073 1.073 385 HA CYS 51 HA CYS 51 -2.406 2.768 2.768 386 1HB CYS 51 2HB CYS 51 -4.854 3.196 3.196 387 2HB CYS 51 1HB CYS 51 -3.186 3.602 3.602
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