NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
10958 | 1qnd | 4438 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 -3.517 -20.861 -1.340 2 HA SER 1 HA SER 1 -3.833 -18.597 -2.912 3 1HB SER 1 1HB SER 1 -3.168 -18.827 0.047 4 2HB SER 1 2HB SER 1 -3.932 -17.425 -0.719 5 HG SER 1 HG SER 1 -5.726 -18.580 -1.099 6 H SER 2 H SER 2 -0.832 -19.711 -1.334 7 HA SER 2 HA SER 2 0.563 -17.209 -1.593 8 1HB SER 2 1HB SER 2 1.054 -19.248 -0.064 9 2HB SER 2 2HB SER 2 1.840 -19.960 -1.487 10 HG SER 2 HG SER 2 2.702 -18.007 0.226 11 H ALA 3 H ALA 3 1.926 -16.514 -3.228 12 HA ALA 3 HA ALA 3 2.427 -15.978 -5.330 13 1HB ALA 3 2HB ALA 3 2.633 -18.956 -5.882 14 2HB ALA 3 3HB ALA 3 3.230 -17.629 -6.901 15 3HB ALA 3 1HB ALA 3 3.942 -17.892 -5.296 16 H SER 4 H SER 4 0.294 -15.204 -5.140 17 HA SER 4 HA SER 4 -1.675 -16.307 -7.059 18 1HB SER 4 1HB SER 4 -1.954 -14.552 -4.646 19 2HB SER 4 2HB SER 4 -3.152 -14.462 -5.977 20 HG SER 4 HG SER 4 -2.422 -16.672 -4.380 21 H ASP 5 H ASP 5 -0.952 -12.934 -6.058 22 HA ASP 5 HA ASP 5 -0.137 -11.152 -7.292 23 1HB ASP 5 2HB ASP 5 1.726 -11.613 -8.595 24 2HB ASP 5 1HB ASP 5 1.044 -13.061 -9.289 25 H GLY 6 H GLY 6 -2.764 -12.254 -8.188 26 1HA GLY 6 1HA GLY 6 -2.856 -11.499 -11.070 27 2HA GLY 6 2HA GLY 6 -3.669 -12.934 -10.391 28 H PHE 7 H PHE 7 -3.415 -9.449 -10.229 29 HA PHE 7 HA PHE 7 -6.203 -9.087 -9.251 30 1HB PHE 7 1HB PHE 7 -3.614 -8.068 -7.944 31 2HB PHE 7 2HB PHE 7 -5.233 -7.561 -7.490 32 HD1 PHE 7 HD1 PHE 7 -6.763 -9.061 -6.352 33 HD2 PHE 7 HD2 PHE 7 -2.722 -10.191 -7.167 34 HE1 PHE 7 HE1 PHE 7 -7.056 -11.140 -4.958 35 HE2 PHE 7 HE2 PHE 7 -3.016 -12.246 -5.769 36 HZ PHE 7 HZ PHE 7 -5.215 -12.716 -4.725 37 H LYS 8 H LYS 8 -7.074 -7.167 -10.066 38 HA LYS 8 HA LYS 8 -5.769 -5.778 -12.111 39 1HB LYS 8 1HB LYS 8 -8.243 -5.924 -11.534 40 2HB LYS 8 2HB LYS 8 -7.979 -4.622 -10.374 41 1HG LYS 8 1HG LYS 8 -7.248 -3.125 -12.162 42 2HG LYS 8 2HG LYS 8 -7.255 -4.435 -13.338 43 1HD LYS 8 1HD LYS 8 -9.731 -3.456 -11.849 44 2HD LYS 8 2HD LYS 8 -9.274 -2.910 -13.448 45 1HE LYS 8 1HE LYS 8 -9.981 -5.770 -12.695 46 2HE LYS 8 2HE LYS 8 -11.006 -4.631 -13.552 47 1HZ LYS 8 1HZ LYS 8 -9.279 -4.551 -15.295 48 2HZ LYS 8 2HZ LYS 8 -8.495 -5.785 -14.578 49 3HZ LYS 8 3HZ LYS 8 -10.030 -6.011 -15.144 50 H ALA 9 H ALA 9 -5.777 -5.255 -8.653 51 HA ALA 9 HA ALA 9 -4.464 -2.814 -8.322 52 1HB ALA 9 3HB ALA 9 -3.726 -3.819 -6.198 53 2HB ALA 9 2HB ALA 9 -4.115 -5.437 -6.827 54 3HB ALA 9 1HB ALA 9 -5.417 -4.249 -6.550 55 H ASN 10 H ASN 10 -3.122 -5.529 -10.015 56 HA ASN 10 HA ASN 10 -0.557 -5.643 -8.931 57 1HB ASN 10 1HB ASN 10 -1.581 -7.308 -10.484 58 2HB ASN 10 2HB ASN 10 -1.350 -6.186 -11.825 59 2HD2 ASN 10 1HD2 ASN 10 -0.038 -8.876 -10.190 60 1HD2 ASN 10 2HD2 ASN 10 1.614 -8.694 -10.659 61 H LEU 11 H LEU 11 -1.789 -3.398 -11.402 62 HA LEU 11 HA LEU 11 0.793 -2.113 -11.776 63 1HB LEU 11 1HB LEU 11 -0.070 -1.176 -13.470 64 2HB LEU 11 2HB LEU 11 -1.329 -2.354 -13.345 65 HG LEU 11 HG LEU 11 -2.167 -0.189 -13.885 66 1HD1 LEU 11 1HD1 LEU 11 -3.075 -1.161 -11.162 67 2HD1 LEU 11 2HD1 LEU 11 -3.866 0.144 -12.053 68 3HD1 LEU 11 3HD1 LEU 11 -3.769 -1.483 -12.738 69 1HD2 LEU 11 1HD2 LEU 11 -0.249 0.957 -12.551 70 2HD2 LEU 11 2HD2 LEU 11 -1.802 1.778 -12.788 71 3HD2 LEU 11 3HD2 LEU 11 -1.446 1.040 -11.249 72 H VAL 12 H VAL 12 -1.954 -1.583 -9.571 73 HA VAL 12 HA VAL 12 -1.432 1.090 -8.942 74 HB VAL 12 HB VAL 12 -2.927 -1.188 -7.647 75 1HG1 VAL 12 1HG1 VAL 12 -2.327 1.410 -6.265 76 2HG1 VAL 12 2HG1 VAL 12 -3.658 0.310 -5.807 77 3HG1 VAL 12 3HG1 VAL 12 -1.980 -0.220 -5.672 78 1HG2 VAL 12 1HG2 VAL 12 -3.981 0.191 -9.419 79 2HG2 VAL 12 2HG2 VAL 12 -4.809 0.350 -7.864 80 3HG2 VAL 12 3HG2 VAL 12 -3.734 1.640 -8.419 81 H PHE 13 H PHE 13 -0.126 -1.850 -7.333 82 HA PHE 13 HA PHE 13 1.367 -0.337 -5.405 83 1HB PHE 13 1HB PHE 13 1.972 -3.080 -6.509 84 2HB PHE 13 2HB PHE 13 2.588 -2.417 -5.003 85 HD1 PHE 13 HD1 PHE 13 0.967 -2.044 -3.062 86 HD2 PHE 13 HD2 PHE 13 -0.113 -4.189 -6.631 87 HE1 PHE 13 HE1 PHE 13 -0.855 -3.243 -1.815 88 HE2 PHE 13 HE2 PHE 13 -1.927 -5.308 -5.405 89 HZ PHE 13 HZ PHE 13 -2.291 -4.865 -3.005 90 H LYS 14 H LYS 14 1.969 -1.025 -8.789 91 HA LYS 14 HA LYS 14 4.860 -0.681 -8.598 92 1HB LYS 14 1HB LYS 14 3.545 -2.005 -10.291 93 2HB LYS 14 2HB LYS 14 3.156 -0.509 -11.106 94 1HG LYS 14 1HG LYS 14 5.457 0.050 -11.563 95 2HG LYS 14 2HG LYS 14 6.053 -1.122 -10.417 96 1HD LYS 14 1HD LYS 14 6.567 -1.904 -12.568 97 2HD LYS 14 2HD LYS 14 5.367 -2.990 -11.880 98 1HE LYS 14 1HE LYS 14 4.839 -0.819 -13.984 99 2HE LYS 14 2HE LYS 14 5.130 -2.538 -14.313 100 1HZ LYS 14 1HZ LYS 14 3.148 -2.925 -12.801 101 2HZ LYS 14 2HZ LYS 14 2.792 -1.312 -13.108 102 3HZ LYS 14 3HZ LYS 14 2.866 -2.420 -14.323 103 H GLU 15 H GLU 15 2.051 1.252 -9.340 104 HA GLU 15 HA GLU 15 3.357 3.692 -9.995 105 1HB GLU 15 1HB GLU 15 0.995 3.683 -8.106 106 2HB GLU 15 2HB GLU 15 1.467 4.931 -9.245 107 1HG GLU 15 1HG GLU 15 0.352 2.197 -9.927 108 2HG GLU 15 2HG GLU 15 -0.537 3.677 -9.900 109 H ILE 16 H ILE 16 2.624 2.384 -6.703 110 HA ILE 16 HA ILE 16 3.846 4.432 -5.199 111 HB ILE 16 HB ILE 16 3.534 1.453 -4.616 112 1HG1 ILE 16 1HG1 ILE 16 1.573 3.601 -3.710 113 2HG1 ILE 16 2HG1 ILE 16 1.252 2.596 -5.103 114 1HG2 ILE 16 1HG2 ILE 16 5.112 2.564 -3.132 115 2HG2 ILE 16 2HG2 ILE 16 3.867 3.762 -2.701 116 3HG2 ILE 16 3HG2 ILE 16 3.677 2.035 -2.278 117 1HD1 ILE 16 1HD1 ILE 16 1.778 0.581 -3.431 118 2HD1 ILE 16 2HD1 ILE 16 1.293 1.791 -2.226 119 3HD1 ILE 16 3HD1 ILE 16 0.197 1.328 -3.535 120 H GLU 17 H GLU 17 5.084 1.279 -6.455 121 HA GLU 17 HA GLU 17 7.761 1.542 -5.646 122 1HB GLU 17 1HB GLU 17 6.756 -0.523 -6.686 123 2HB GLU 17 2HB GLU 17 6.768 0.307 -8.227 124 1HG GLU 17 1HG GLU 17 9.241 0.602 -8.083 125 2HG GLU 17 2HG GLU 17 9.261 -0.351 -6.608 126 H LYS 18 H LYS 18 6.170 2.847 -8.580 127 HA LYS 18 HA LYS 18 8.530 3.472 -9.898 128 1HB LYS 18 1HB LYS 18 6.319 3.386 -10.949 129 2HB LYS 18 2HB LYS 18 5.799 4.847 -10.127 130 1HG LYS 18 1HG LYS 18 8.243 4.922 -11.914 131 2HG LYS 18 2HG LYS 18 6.642 4.822 -12.634 132 1HD LYS 18 1HD LYS 18 5.976 6.875 -11.357 133 2HD LYS 18 2HD LYS 18 7.675 7.040 -10.823 134 1HE LYS 18 1HE LYS 18 8.376 7.071 -13.224 135 2HE LYS 18 2HE LYS 18 6.680 6.936 -13.710 136 1HZ LYS 18 1HZ LYS 18 6.290 9.073 -12.591 137 2HZ LYS 18 2HZ LYS 18 7.938 9.208 -12.311 138 3HZ LYS 18 3HZ LYS 18 7.312 9.150 -13.847 139 H LYS 19 H LYS 19 6.561 5.501 -7.700 140 HA LYS 19 HA LYS 19 8.298 7.789 -7.693 141 1HB LYS 19 1HB LYS 19 5.996 7.772 -6.737 142 2HB LYS 19 2HB LYS 19 6.519 6.667 -5.490 143 1HG LYS 19 1HG LYS 19 6.321 8.884 -4.647 144 2HG LYS 19 2HG LYS 19 7.989 8.370 -4.487 145 1HD LYS 19 1HD LYS 19 7.005 10.109 -6.779 146 2HD LYS 19 2HD LYS 19 7.311 10.789 -5.186 147 1HE LYS 19 1HE LYS 19 9.630 10.196 -5.231 148 2HE LYS 19 2HE LYS 19 9.463 9.377 -6.797 149 1HZ LYS 19 1HZ LYS 19 8.767 12.224 -6.457 150 2HZ LYS 19 2HZ LYS 19 10.284 11.791 -6.804 151 3HZ LYS 19 3HZ LYS 19 9.092 11.421 -7.859 152 H LEU 20 H LEU 20 8.331 4.750 -5.752 153 HA LEU 20 HA LEU 20 10.402 5.480 -4.031 154 1HB LEU 20 1HB LEU 20 8.791 3.163 -4.608 155 2HB LEU 20 2HB LEU 20 10.445 2.644 -4.486 156 HG LEU 20 HG LEU 20 9.782 4.574 -2.331 157 1HD1 LEU 20 1HD1 LEU 20 7.528 3.739 -2.725 158 2HD1 LEU 20 2HD1 LEU 20 8.094 2.075 -2.431 159 3HD1 LEU 20 3HD1 LEU 20 8.200 3.295 -1.129 160 1HD2 LEU 20 1HD2 LEU 20 11.694 3.009 -2.401 161 2HD2 LEU 20 2HD2 LEU 20 10.731 2.889 -0.925 162 3HD2 LEU 20 3HD2 LEU 20 10.543 1.655 -2.179 163 H GLU 21 H GLU 21 10.581 3.748 -7.125 164 HA GLU 21 HA GLU 21 13.392 3.599 -7.229 165 1HB GLU 21 1HB GLU 21 11.392 3.810 -9.464 166 2HB GLU 21 2HB GLU 21 13.084 3.338 -9.697 167 1HG GLU 21 1HG GLU 21 11.181 1.813 -7.847 168 2HG GLU 21 2HG GLU 21 11.236 1.526 -9.591 169 H GLU 22 H GLU 22 11.243 6.239 -8.610 170 HA GLU 22 HA GLU 22 13.397 7.635 -9.651 171 1HB GLU 22 1HB GLU 22 10.657 8.617 -8.712 172 2HB GLU 22 2HB GLU 22 11.809 9.577 -9.650 173 1HG GLU 22 1HG GLU 22 11.849 7.623 -11.295 174 2HG GLU 22 2HG GLU 22 10.415 7.033 -10.518 175 H GLU 23 H GLU 23 11.822 7.949 -6.440 176 HA GLU 23 HA GLU 23 14.192 8.979 -5.306 177 1HB GLU 23 1HB GLU 23 13.156 11.019 -6.533 178 2HB GLU 23 2HB GLU 23 11.897 10.975 -5.289 179 1HG GLU 23 1HG GLU 23 13.696 10.999 -3.565 180 2HG GLU 23 2HG GLU 23 14.899 10.956 -4.853 181 H GLY 24 H GLY 24 13.025 6.676 -4.502 182 1HA GLY 24 1HA GLY 24 11.034 6.807 -2.547 183 2HA GLY 24 2HA GLY 24 12.317 5.611 -2.650 184 H GLU 25 H GLU 25 14.228 8.136 -2.369 185 HA GLU 25 HA GLU 25 15.058 7.662 0.210 186 1HB GLU 25 1HB GLU 25 15.841 9.175 -1.955 187 2HB GLU 25 2HB GLU 25 15.455 10.459 -0.845 188 1HG GLU 25 1HG GLU 25 17.294 8.141 -0.108 189 2HG GLU 25 2HG GLU 25 17.879 9.519 -1.022 190 H GLN 26 H GLN 26 12.655 10.162 -0.809 191 HA GLN 26 HA GLN 26 12.382 11.137 1.909 192 1HB GLN 26 1HB GLN 26 12.024 12.345 -0.421 193 2HB GLN 26 2HB GLN 26 10.380 11.683 -0.296 194 1HG GLN 26 1HG GLN 26 10.198 12.711 1.971 195 2HG GLN 26 2HG GLN 26 11.842 13.345 1.801 196 2HE2 GLN 26 1HE2 GLN 26 12.216 14.833 -0.221 197 1HE2 GLN 26 2HE2 GLN 26 10.854 15.809 -0.707 198 H PHE 27 H PHE 27 10.920 8.575 -0.005 199 HA PHE 27 HA PHE 27 8.434 8.352 1.504 200 1HB PHE 27 1HB PHE 27 9.788 7.080 -0.835 201 2HB PHE 27 2HB PHE 27 8.891 5.978 0.172 202 HD1 PHE 27 HD1 PHE 27 8.028 9.550 -0.716 203 HD2 PHE 27 HD2 PHE 27 7.129 5.375 -1.264 204 HE1 PHE 27 HE1 PHE 27 6.066 10.151 -2.061 205 HE2 PHE 27 HE2 PHE 27 5.195 5.976 -2.691 206 HZ PHE 27 HZ PHE 27 4.626 8.372 -3.057 207 H VAL 28 H VAL 28 11.746 6.886 1.536 208 HA VAL 28 HA VAL 28 11.327 4.983 3.608 209 HB VAL 28 HB VAL 28 13.760 6.706 2.990 210 1HG1 VAL 28 1HG1 VAL 28 13.823 5.686 5.319 211 2HG1 VAL 28 2HG1 VAL 28 13.636 4.108 4.567 212 3HG1 VAL 28 3HG1 VAL 28 15.082 5.071 4.236 213 1HG2 VAL 28 1HG2 VAL 28 13.104 5.159 1.116 214 2HG2 VAL 28 2HG2 VAL 28 14.643 4.722 1.868 215 3HG2 VAL 28 3HG2 VAL 28 13.182 3.800 2.243 216 H LYS 29 H LYS 29 12.274 8.479 3.832 217 HA LYS 29 HA LYS 29 12.082 8.584 6.651 218 1HB LYS 29 1HB LYS 29 11.711 10.766 4.544 219 2HB LYS 29 2HB LYS 29 11.655 11.082 6.279 220 1HG LYS 29 1HG LYS 29 13.918 10.009 6.507 221 2HG LYS 29 2HG LYS 29 14.021 10.006 4.726 222 1HD LYS 29 1HD LYS 29 13.781 12.444 4.693 223 2HD LYS 29 2HD LYS 29 13.515 12.479 6.456 224 1HE LYS 29 1HE LYS 29 15.771 11.410 6.762 225 2HE LYS 29 2HE LYS 29 16.014 11.535 5.017 226 1HZ LYS 29 1HZ LYS 29 15.796 13.994 5.282 227 2HZ LYS 29 2HZ LYS 29 15.703 13.785 6.914 228 3HZ LYS 29 3HZ LYS 29 17.049 13.357 6.122 229 H LYS 30 H LYS 30 9.340 8.191 4.532 230 HA LYS 30 HA LYS 30 7.556 9.584 6.353 231 1HB LYS 30 1HB LYS 30 7.107 7.958 3.830 232 2HB LYS 30 2HB LYS 30 5.822 8.687 4.768 233 1HG LYS 30 1HG LYS 30 8.010 10.611 4.206 234 2HG LYS 30 2HG LYS 30 7.322 9.927 2.733 235 1HD LYS 30 1HD LYS 30 5.138 10.659 3.296 236 2HD LYS 30 2HD LYS 30 5.546 10.996 4.961 237 1HE LYS 30 1HE LYS 30 6.699 12.544 2.598 238 2HE LYS 30 2HE LYS 30 5.285 13.045 3.544 239 1HZ LYS 30 1HZ LYS 30 6.725 12.982 5.530 240 2HZ LYS 30 2HZ LYS 30 8.043 12.789 4.578 241 3HZ LYS 30 3HZ LYS 30 7.103 14.146 4.454 242 H ILE 31 H ILE 31 8.346 6.177 5.582 243 HA ILE 31 HA ILE 31 6.486 5.268 7.756 244 HB ILE 31 HB ILE 31 7.434 4.039 5.171 245 1HG1 ILE 31 2HG1 ILE 31 4.783 4.692 6.490 246 2HG1 ILE 31 1HG1 ILE 31 4.848 3.308 5.397 247 1HG2 ILE 31 1HG2 ILE 31 6.295 2.531 7.528 248 2HG2 ILE 31 2HG2 ILE 31 6.497 1.917 5.860 249 3HG2 ILE 31 3HG2 ILE 31 7.919 2.319 6.793 250 1HD1 ILE 31 1HD1 ILE 31 5.782 4.693 3.619 251 2HD1 ILE 31 2HD1 ILE 31 4.166 5.220 4.157 252 3HD1 ILE 31 3HD1 ILE 31 5.605 6.129 4.658 253 H GLY 32 H GLY 32 9.729 4.543 6.209 254 1HA GLY 32 1HA GLY 32 11.681 3.878 7.105 255 2HA GLY 32 2HA GLY 32 11.128 4.538 8.631 256 H GLY 33 H GLY 33 10.462 1.677 6.487 257 1HA GLY 33 1HA GLY 33 10.976 -0.256 8.504 258 2HA GLY 33 2HA GLY 33 9.229 -0.020 8.335 259 H ILE 34 H ILE 34 10.128 -2.460 7.622 260 HA ILE 34 HA ILE 34 9.620 -2.359 4.677 261 HB ILE 34 HB ILE 34 10.769 -4.689 6.260 262 1HG1 ILE 34 2HG1 ILE 34 11.913 -2.694 4.418 263 2HG1 ILE 34 1HG1 ILE 34 12.193 -4.342 3.845 264 1HG2 ILE 34 1HG2 ILE 34 9.713 -4.614 3.403 265 2HG2 ILE 34 2HG2 ILE 34 10.575 -5.977 4.152 266 3HG2 ILE 34 3HG2 ILE 34 8.993 -5.499 4.748 267 1HD1 ILE 34 1HD1 ILE 34 12.915 -3.247 6.598 268 2HD1 ILE 34 2HD1 ILE 34 13.218 -4.910 6.016 269 3HD1 ILE 34 3HD1 ILE 34 14.026 -3.526 5.257 270 H PHE 35 H PHE 35 7.548 -2.963 4.206 271 HA PHE 35 HA PHE 35 6.180 -4.551 6.267 272 1HB PHE 35 2HB PHE 35 5.466 -2.290 6.666 273 2HB PHE 35 1HB PHE 35 4.123 -3.263 6.065 274 HD1 PHE 35 HD1 PHE 35 3.586 -3.105 3.511 275 HD2 PHE 35 HD2 PHE 35 6.059 -0.277 5.601 276 HE1 PHE 35 HE1 PHE 35 3.223 -1.485 1.728 277 HE2 PHE 35 HE2 PHE 35 5.545 1.447 3.837 278 HZ PHE 35 HZ PHE 35 4.112 0.834 1.907 279 H ALA 36 H ALA 36 4.203 -5.556 5.480 280 HA ALA 36 HA ALA 36 4.273 -6.185 2.563 281 1HB ALA 36 2HB ALA 36 2.980 -8.259 3.348 282 2HB ALA 36 1HB ALA 36 3.525 -7.869 4.970 283 3HB ALA 36 3HB ALA 36 4.716 -8.224 3.712 284 H PHE 37 H PHE 37 2.401 -5.968 1.466 285 HA PHE 37 HA PHE 37 0.072 -4.661 2.776 286 1HB PHE 37 1HB PHE 37 0.878 -5.179 -0.121 287 2HB PHE 37 2HB PHE 37 -0.675 -4.517 0.354 288 HD1 PHE 37 HD1 PHE 37 -0.127 -2.467 2.345 289 HD2 PHE 37 HD2 PHE 37 2.093 -3.510 -1.196 290 HE1 PHE 37 HE1 PHE 37 0.408 -0.088 1.980 291 HE2 PHE 37 HE2 PHE 37 2.650 -1.148 -1.549 292 HZ PHE 37 HZ PHE 37 1.739 0.601 -0.014 293 H LYS 38 H LYS 38 -0.989 -6.453 3.898 294 HA LYS 38 HA LYS 38 -1.426 -8.898 2.345 295 1HB LYS 38 1HB LYS 38 -1.833 -8.004 5.173 296 2HB LYS 38 2HB LYS 38 -3.069 -9.106 4.583 297 1HG LYS 38 1HG LYS 38 -0.079 -9.687 4.330 298 2HG LYS 38 2HG LYS 38 -1.054 -10.176 5.731 299 1HD LYS 38 1HD LYS 38 -2.587 -11.430 4.219 300 2HD LYS 38 2HD LYS 38 -1.524 -11.057 2.847 301 1HE LYS 38 1HE LYS 38 0.342 -12.239 3.994 302 2HE LYS 38 2HE LYS 38 -0.741 -12.611 5.345 303 1HZ LYS 38 1HZ LYS 38 -2.163 -13.781 3.633 304 2HZ LYS 38 2HZ LYS 38 -1.012 -13.571 2.565 305 3HZ LYS 38 3HZ LYS 38 -0.673 -14.491 3.878 306 H VAL 39 H VAL 39 -2.838 -8.786 0.737 307 HA VAL 39 HA VAL 39 -5.317 -7.209 1.179 308 HB VAL 39 HB VAL 39 -4.150 -7.758 -1.558 309 1HG1 VAL 39 1HG1 VAL 39 -6.078 -5.707 -0.378 310 2HG1 VAL 39 2HG1 VAL 39 -5.545 -5.761 -2.062 311 3HG1 VAL 39 3HG1 VAL 39 -6.503 -7.090 -1.397 312 1HG2 VAL 39 1HG2 VAL 39 -3.272 -5.681 0.427 313 2HG2 VAL 39 2HG2 VAL 39 -2.352 -6.521 -0.823 314 3HG2 VAL 39 3HG2 VAL 39 -3.457 -5.197 -1.249 315 H LYS 40 H LYS 40 -6.816 -8.640 1.763 316 HA LYS 40 HA LYS 40 -7.003 -11.284 0.424 317 1HB LYS 40 1HB LYS 40 -8.933 -11.536 2.193 318 2HB LYS 40 2HB LYS 40 -7.279 -11.695 2.664 319 1HG LYS 40 1HG LYS 40 -7.302 -9.334 3.565 320 2HG LYS 40 2HG LYS 40 -8.978 -9.207 3.026 321 1HD LYS 40 1HD LYS 40 -9.131 -9.564 5.293 322 2HD LYS 40 2HD LYS 40 -9.505 -11.151 4.640 323 1HE LYS 40 1HE LYS 40 -6.675 -10.412 5.490 324 2HE LYS 40 2HE LYS 40 -7.880 -10.816 6.715 325 1HZ LYS 40 1HZ LYS 40 -7.117 -12.623 4.515 326 2HZ LYS 40 2HZ LYS 40 -6.492 -12.695 6.002 327 3HZ LYS 40 3HZ LYS 40 -8.085 -13.009 5.801 328 H ASP 41 H ASP 41 -9.481 -11.843 0.188 329 HA ASP 41 HA ASP 41 -11.455 -11.561 -0.898 330 1HB ASP 41 1HB ASP 41 -11.545 -10.160 1.258 331 2HB ASP 41 2HB ASP 41 -11.358 -8.740 0.247 332 H GLY 42 H GLY 42 -9.545 -11.321 -2.745 333 1HA GLY 42 1HA GLY 42 -9.450 -8.945 -4.277 334 2HA GLY 42 2HA GLY 42 -8.983 -10.550 -4.797 335 HA PRO 43 HA PRO 43 -12.579 -9.685 -7.531 336 1HB PRO 43 1HB PRO 43 -11.170 -9.591 -9.888 337 2HB PRO 43 2HB PRO 43 -11.547 -8.150 -8.893 338 1HG PRO 43 1HG PRO 43 -8.935 -9.622 -9.095 339 2HG PRO 43 2HG PRO 43 -9.239 -7.868 -8.935 340 1HD PRO 43 1HD PRO 43 -8.629 -9.682 -6.863 341 2HD PRO 43 2HD PRO 43 -9.327 -8.040 -6.627 342 H GLY 44 H GLY 44 -12.825 -11.753 -6.466 343 1HA GLY 44 1HA GLY 44 -13.099 -14.083 -7.483 344 2HA GLY 44 2HA GLY 44 -11.334 -14.071 -7.555 345 H GLY 45 H GLY 45 -11.356 -12.400 -4.895 346 1HA GLY 45 1HA GLY 45 -12.030 -12.583 -2.700 347 2HA GLY 45 2HA GLY 45 -12.551 -14.239 -2.938 348 H LYS 46 H LYS 46 -9.853 -14.438 -4.481 349 HA LYS 46 HA LYS 46 -8.121 -15.571 -2.532 350 1HB LYS 46 1HB LYS 46 -7.764 -14.394 -5.305 351 2HB LYS 46 2HB LYS 46 -6.465 -15.289 -4.505 352 1HG LYS 46 1HG LYS 46 -8.018 -17.250 -4.242 353 2HG LYS 46 2HG LYS 46 -9.180 -16.437 -5.295 354 1HD LYS 46 1HD LYS 46 -6.339 -17.230 -6.063 355 2HD LYS 46 2HD LYS 46 -7.777 -18.200 -6.385 356 1HE LYS 46 1HE LYS 46 -8.730 -16.450 -7.807 357 2HE LYS 46 2HE LYS 46 -7.361 -15.380 -7.454 358 1HZ LYS 46 1HZ LYS 46 -5.927 -17.047 -8.503 359 2HZ LYS 46 2HZ LYS 46 -7.243 -17.920 -8.980 360 3HZ LYS 46 3HZ LYS 46 -6.993 -16.407 -9.553 361 H GLU 47 H GLU 47 -5.725 -14.594 -2.775 362 HA GLU 47 HA GLU 47 -5.745 -11.795 -1.853 363 1HB GLU 47 1HB GLU 47 -4.679 -12.220 0.204 364 2HB GLU 47 2HB GLU 47 -6.006 -13.365 0.143 365 1HG GLU 47 1HG GLU 47 -4.597 -15.146 0.266 366 2HG GLU 47 2HG GLU 47 -3.410 -14.490 -0.847 367 H ALA 48 H ALA 48 -3.777 -10.748 -1.778 368 HA ALA 48 HA ALA 48 -1.577 -11.819 -3.526 369 1HB ALA 48 2HB ALA 48 -2.248 -8.884 -3.066 370 2HB ALA 48 1HB ALA 48 -3.081 -9.785 -4.306 371 3HB ALA 48 3HB ALA 48 -1.314 -9.647 -4.364 372 H THR 49 H THR 49 0.515 -10.583 -2.851 373 HA THR 49 HA THR 49 0.181 -8.607 -0.813 374 HB THR 49 HB THR 49 2.036 -10.989 -0.283 375 HG1 THR 49 HG1 THR 49 -0.274 -10.692 0.502 376 1HG2 THR 49 1HG2 THR 49 2.068 -8.283 1.110 377 2HG2 THR 49 2HG2 THR 49 2.882 -9.757 1.701 378 3HG2 THR 49 3HG2 THR 49 3.395 -9.010 0.196 379 H TRP 50 H TRP 50 1.830 -7.011 -0.999 380 HA TRP 50 HA TRP 50 4.053 -7.437 -2.947 381 1HB TRP 50 1HB TRP 50 2.053 -5.194 -2.618 382 2HB TRP 50 2HB TRP 50 3.745 -4.709 -2.688 383 HD1 TRP 50 HD1 TRP 50 4.770 -4.465 -5.091 384 HE1 TRP 50 HE1 TRP 50 3.875 -4.849 -7.474 385 HE3 TRP 50 HE3 TRP 50 0.545 -7.017 -3.884 386 HZ2 TRP 50 HZ2 TRP 50 1.735 -6.397 -8.674 387 HZ3 TRP 50 HZ3 TRP 50 -0.934 -7.940 -5.668 388 HH2 TRP 50 HH2 TRP 50 -0.349 -7.675 -8.027 389 H VAL 51 H VAL 51 6.090 -6.960 -1.828 390 HA VAL 51 HA VAL 51 5.871 -6.112 1.012 391 HB VAL 51 HB VAL 51 8.199 -7.329 -0.516 392 1HG1 VAL 51 1HG1 VAL 51 7.934 -6.620 2.444 393 2HG1 VAL 51 2HG1 VAL 51 9.262 -7.555 1.749 394 3HG1 VAL 51 3HG1 VAL 51 9.044 -5.876 1.276 395 1HG2 VAL 51 1HG2 VAL 51 6.506 -9.045 -0.195 396 2HG2 VAL 51 2HG2 VAL 51 7.903 -9.344 0.816 397 3HG2 VAL 51 3HG2 VAL 51 6.434 -8.671 1.548 398 H VAL 52 H VAL 52 6.908 -4.100 1.589 399 HA VAL 52 HA VAL 52 8.085 -2.535 -0.665 400 HB VAL 52 HB VAL 52 6.270 -1.522 1.554 401 1HG1 VAL 52 1HG1 VAL 52 7.559 -0.045 -0.787 402 2HG1 VAL 52 2HG1 VAL 52 6.386 0.636 0.369 403 3HG1 VAL 52 3HG1 VAL 52 7.981 0.118 0.920 404 1HG2 VAL 52 1HG2 VAL 52 5.726 -1.866 -1.425 405 2HG2 VAL 52 2HG2 VAL 52 4.878 -2.648 -0.072 406 3HG2 VAL 52 3HG2 VAL 52 4.724 -0.905 -0.315 407 H ASP 53 H ASP 53 10.241 -2.321 -0.189 408 HA ASP 53 HA ASP 53 11.076 -2.141 2.614 409 1HB ASP 53 1HB ASP 53 12.443 -3.310 0.694 410 2HB ASP 53 2HB ASP 53 12.914 -1.683 0.258 411 H VAL 54 H VAL 54 10.664 -0.191 3.528 412 HA VAL 54 HA VAL 54 11.638 2.172 2.092 413 HB VAL 54 HB VAL 54 9.761 3.467 3.428 414 1HG1 VAL 54 1HG1 VAL 54 9.210 2.067 0.819 415 2HG1 VAL 54 2HG1 VAL 54 8.338 3.487 1.468 416 3HG1 VAL 54 3HG1 VAL 54 10.054 3.611 1.074 417 1HG2 VAL 54 1HG2 VAL 54 8.324 0.809 3.042 418 2HG2 VAL 54 2HG2 VAL 54 8.701 1.610 4.575 419 3HG2 VAL 54 3HG2 VAL 54 7.578 2.369 3.438 420 H LYS 55 H LYS 55 13.167 0.546 3.587 421 HA LYS 55 HA LYS 55 13.788 2.411 5.838 422 1HB LYS 55 1HB LYS 55 12.675 0.250 6.617 423 2HB LYS 55 2HB LYS 55 14.105 -0.610 6.064 424 1HG LYS 55 1HG LYS 55 15.490 0.821 7.587 425 2HG LYS 55 2HG LYS 55 14.023 1.676 8.101 426 1HD LYS 55 1HD LYS 55 13.078 -0.462 8.936 427 2HD LYS 55 2HD LYS 55 14.563 -1.308 8.463 428 1HE LYS 55 1HE LYS 55 15.878 0.043 10.021 429 2HE LYS 55 2HE LYS 55 14.469 1.053 10.397 430 1HZ LYS 55 1HZ LYS 55 14.643 -1.844 10.951 431 2HZ LYS 55 2HZ LYS 55 14.911 -0.665 12.054 432 3HZ LYS 55 3HZ LYS 55 13.404 -0.842 11.379 433 H ASN 56 H ASN 56 14.901 -0.232 3.691 434 HA ASN 56 HA ASN 56 17.715 0.210 4.372 435 1HB ASN 56 1HB ASN 56 16.119 -1.658 2.582 436 2HB ASN 56 2HB ASN 56 17.794 -1.414 2.249 437 2HD2 ASN 56 1HD2 ASN 56 15.571 -2.549 4.722 438 1HD2 ASN 56 2HD2 ASN 56 16.786 -3.328 5.743 439 H GLY 57 H GLY 57 19.038 1.652 3.260 440 1HA GLY 57 1HA GLY 57 19.936 2.728 1.407 441 2HA GLY 57 2HA GLY 57 18.923 1.722 0.397 442 H LYS 58 H LYS 58 17.700 2.925 -0.883 443 HA LYS 58 HA LYS 58 16.344 5.318 0.155 444 1HB LYS 58 2HB LYS 58 16.419 6.314 -1.851 445 2HB LYS 58 1HB LYS 58 16.472 4.813 -2.773 446 1HG LYS 58 1HG LYS 58 18.799 5.991 -1.240 447 2HG LYS 58 2HG LYS 58 18.855 4.518 -2.254 448 1HD LYS 58 1HD LYS 58 18.188 5.944 -4.211 449 2HD LYS 58 2HD LYS 58 18.367 7.371 -3.168 450 1HE LYS 58 1HE LYS 58 20.740 6.768 -2.754 451 2HE LYS 58 2HE LYS 58 20.549 5.332 -3.774 452 1HZ LYS 58 1HZ LYS 58 19.998 6.870 -5.616 453 2HZ LYS 58 2HZ LYS 58 20.417 8.144 -4.655 454 3HZ LYS 58 3HZ LYS 58 21.541 7.048 -5.075 455 H GLY 59 H GLY 59 15.791 2.055 0.039 456 1HA GLY 59 1HA GLY 59 13.749 1.103 0.223 457 2HA GLY 59 2HA GLY 59 12.945 2.566 -0.356 458 H SER 60 H SER 60 12.363 0.011 -1.157 459 HA SER 60 HA SER 60 11.970 0.434 -3.873 460 1HB SER 60 1HB SER 60 13.784 -1.931 -3.116 461 2HB SER 60 2HB SER 60 12.982 -1.828 -4.679 462 HG SER 60 HG SER 60 14.525 0.365 -3.884 463 H VAL 61 H VAL 61 10.351 -1.073 -4.702 464 HA VAL 61 HA VAL 61 8.886 -2.552 -2.615 465 HB VAL 61 HB VAL 61 8.200 -1.863 -5.481 466 1HG1 VAL 61 1HG1 VAL 61 6.411 -3.121 -3.380 467 2HG1 VAL 61 2HG1 VAL 61 5.896 -2.504 -4.967 468 3HG1 VAL 61 3HG1 VAL 61 6.997 -3.877 -4.887 469 1HG2 VAL 61 1HG2 VAL 61 7.166 -0.711 -2.855 470 2HG2 VAL 61 2HG2 VAL 61 8.190 0.141 -4.026 471 3HG2 VAL 61 3HG2 VAL 61 6.530 -0.302 -4.450 472 H LEU 62 H LEU 62 8.352 -4.747 -3.014 473 HA LEU 62 HA LEU 62 10.372 -6.300 -4.564 474 1HB LEU 62 1HB LEU 62 9.655 -6.347 -1.637 475 2HB LEU 62 2HB LEU 62 10.504 -7.681 -2.416 476 HG LEU 62 HG LEU 62 11.620 -4.853 -2.576 477 1HD1 LEU 62 1HD1 LEU 62 11.791 -6.741 -0.232 478 2HD1 LEU 62 2HD1 LEU 62 12.871 -5.328 -0.491 479 3HD1 LEU 62 3HD1 LEU 62 11.132 -5.098 -0.263 480 1HD2 LEU 62 1HD2 LEU 62 12.665 -6.640 -3.941 481 2HD2 LEU 62 2HD2 LEU 62 13.758 -6.002 -2.707 482 3HD2 LEU 62 3HD2 LEU 62 12.967 -7.582 -2.470 483 HA PRO 63 HA PRO 63 5.976 -7.470 -5.165 484 1HB PRO 63 1HB PRO 63 6.128 -8.365 -7.764 485 2HB PRO 63 2HB PRO 63 5.999 -6.639 -7.316 486 1HG PRO 63 2HG PRO 63 8.007 -6.609 -8.602 487 2HG PRO 63 1HG PRO 63 8.497 -8.215 -7.970 488 1HD PRO 63 1HD PRO 63 9.766 -6.867 -6.551 489 2HD PRO 63 2HD PRO 63 8.560 -5.541 -6.567 490 H ASN 64 H ASN 64 5.067 -9.372 -4.916 491 HA ASN 64 HA ASN 64 4.785 -11.428 -4.124 492 1HB ASN 64 2HB ASN 64 4.659 -13.010 -5.806 493 2HB ASN 64 1HB ASN 64 6.095 -12.403 -6.632 494 2HD2 ASN 64 1HD2 ASN 64 5.543 -11.609 -8.595 495 1HD2 ASN 64 2HD2 ASN 64 4.094 -10.700 -8.910 496 H SER 65 H SER 65 7.088 -10.353 -2.963 497 HA SER 65 HA SER 65 9.289 -12.182 -3.250 498 1HB SER 65 1HB SER 65 9.112 -9.559 -2.692 499 2HB SER 65 2HB SER 65 9.133 -10.163 -1.026 500 HG SER 65 HG SER 65 11.013 -10.374 -3.111 501 H ASP 66 H ASP 66 10.238 -13.344 -1.593 502 HA ASP 66 HA ASP 66 8.531 -14.317 0.639 503 1HB ASP 66 1HB ASP 66 10.685 -15.582 -0.910 504 2HB ASP 66 2HB ASP 66 11.040 -15.585 0.810 505 H LYS 67 H LYS 67 10.638 -11.810 -0.092 506 HA LYS 67 HA LYS 67 12.206 -11.492 2.213 507 1HB LYS 67 1HB LYS 67 12.114 -9.936 0.194 508 2HB LYS 67 2HB LYS 67 10.599 -9.306 0.848 509 1HG LYS 67 2HG LYS 67 12.196 -9.042 3.055 510 2HG LYS 67 1HG LYS 67 11.937 -7.776 1.881 511 1HD LYS 67 1HD LYS 67 14.347 -8.454 2.629 512 2HD LYS 67 2HD LYS 67 14.186 -9.773 1.449 513 1HE LYS 67 1HE LYS 67 13.748 -8.136 -0.347 514 2HE LYS 67 2HE LYS 67 13.674 -6.828 0.851 515 1HZ LYS 67 1HZ LYS 67 16.051 -7.486 1.363 516 2HZ LYS 67 2HZ LYS 67 16.056 -8.203 -0.116 517 3HZ LYS 67 3HZ LYS 67 15.725 -6.579 0.052 518 H LYS 68 H LYS 68 11.701 -11.127 4.288 519 HA LYS 68 HA LYS 68 8.902 -11.309 5.073 520 1HB LYS 68 1HB LYS 68 9.701 -11.512 7.317 521 2HB LYS 68 2HB LYS 68 10.772 -12.450 6.302 522 1HG LYS 68 1HG LYS 68 12.212 -10.193 6.357 523 2HG LYS 68 2HG LYS 68 11.223 -9.860 7.778 524 1HD LYS 68 1HD LYS 68 11.916 -12.208 8.636 525 2HD LYS 68 2HD LYS 68 13.081 -12.234 7.323 526 1HE LYS 68 2HE LYS 68 14.088 -10.113 8.240 527 2HE LYS 68 1HE LYS 68 14.242 -11.514 9.292 528 1HZ LYS 68 1HZ LYS 68 12.318 -10.681 10.563 529 2HZ LYS 68 2HZ LYS 68 13.536 -9.541 10.505 530 3HZ LYS 68 3HZ LYS 68 12.200 -9.392 9.599 531 H ALA 69 H ALA 69 8.557 -9.753 7.079 532 HA ALA 69 HA ALA 69 8.845 -6.918 6.287 533 1HB ALA 69 3HB ALA 69 6.807 -7.710 5.140 534 2HB ALA 69 1HB ALA 69 6.204 -8.422 6.659 535 3HB ALA 69 2HB ALA 69 6.359 -6.678 6.511 536 H ASP 70 H ASP 70 8.715 -5.482 8.060 537 HA ASP 70 HA ASP 70 8.933 -6.697 10.681 538 1HB ASP 70 1HB ASP 70 9.589 -4.633 11.415 539 2HB ASP 70 2HB ASP 70 10.441 -4.962 9.938 540 H CYS 71 H CYS 71 6.506 -5.024 8.854 541 HA CYS 71 HA CYS 71 4.477 -5.881 10.803 542 1HB CYS 71 1HB CYS 71 5.072 -2.997 10.051 543 2HB CYS 71 2HB CYS 71 3.426 -3.482 10.514 544 H THR 72 H THR 72 2.216 -5.519 9.747 545 HA THR 72 HA THR 72 2.353 -5.664 6.798 546 HB THR 72 HB THR 72 1.485 -7.957 8.604 547 HG1 THR 72 HG1 THR 72 3.144 -9.015 7.323 548 1HG2 THR 72 1HG2 THR 72 1.192 -7.482 5.599 549 2HG2 THR 72 2HG2 THR 72 1.076 -9.085 6.360 550 3HG2 THR 72 3HG2 THR 72 -0.072 -7.815 6.793 551 H ILE 73 H ILE 73 0.594 -4.566 6.023 552 HA ILE 73 HA ILE 73 -1.357 -3.697 8.065 553 HB ILE 73 HB ILE 73 -0.035 -2.323 6.158 554 1HG1 ILE 73 1HG1 ILE 73 -2.824 -1.864 7.155 555 2HG1 ILE 73 2HG1 ILE 73 -1.285 -1.300 7.805 556 1HG2 ILE 73 1HG2 ILE 73 -1.009 -3.668 4.318 557 2HG2 ILE 73 2HG2 ILE 73 -2.615 -3.044 4.719 558 3HG2 ILE 73 3HG2 ILE 73 -1.350 -1.930 4.158 559 1HD1 ILE 73 1HD1 ILE 73 -0.921 0.228 5.938 560 2HD1 ILE 73 2HD1 ILE 73 -2.510 -0.206 5.265 561 3HD1 ILE 73 3HD1 ILE 73 -2.399 0.599 6.835 562 H THR 74 H THR 74 -3.642 -4.459 8.055 563 HA THR 74 HA THR 74 -4.296 -6.442 5.877 564 HB THR 74 HB THR 74 -5.443 -6.081 8.691 565 HG1 THR 74 HG1 THR 74 -3.939 -7.278 9.244 566 1HG2 THR 74 1HG2 THR 74 -7.191 -6.886 7.140 567 2HG2 THR 74 2HG2 THR 74 -6.119 -8.209 6.621 568 3HG2 THR 74 3HG2 THR 74 -6.735 -8.124 8.296 569 H MET 75 H MET 75 -5.855 -5.804 4.481 570 HA MET 75 HA MET 75 -8.056 -4.283 5.716 571 1HB MET 75 1HB MET 75 -6.517 -3.220 3.301 572 2HB MET 75 2HB MET 75 -8.220 -2.894 3.587 573 1HG MET 75 2HG MET 75 -7.321 -2.160 5.990 574 2HG MET 75 1HG MET 75 -7.543 -1.076 4.627 575 1HE MET 75 1HE MET 75 -5.271 -1.307 2.673 576 2HE MET 75 2HE MET 75 -5.699 0.245 3.421 577 3HE MET 75 3HE MET 75 -4.003 -0.280 3.368 578 H ALA 76 H ALA 76 -7.805 -4.595 2.311 579 HA ALA 76 HA ALA 76 -8.857 -7.117 1.646 580 1HB ALA 76 3HB ALA 76 -10.868 -6.449 2.993 581 2HB ALA 76 1HB ALA 76 -10.958 -4.922 2.086 582 3HB ALA 76 2HB ALA 76 -11.242 -6.461 1.266 583 H ASP 77 H ASP 77 -9.448 -7.031 -0.692 584 HA ASP 77 HA ASP 77 -8.037 -5.221 -2.298 585 1HB ASP 77 1HB ASP 77 -9.067 -7.428 -2.894 586 2HB ASP 77 2HB ASP 77 -10.613 -6.663 -3.046 587 H SER 78 H SER 78 -11.389 -5.329 -1.518 588 HA SER 78 HA SER 78 -12.187 -2.951 -2.973 589 1HB SER 78 1HB SER 78 -13.626 -4.977 -2.436 590 2HB SER 78 2HB SER 78 -13.791 -4.339 -0.795 591 HG SER 78 HG SER 78 -14.647 -3.178 -3.267 592 H ASP 79 H ASP 79 -10.346 -3.132 -0.274 593 HA ASP 79 HA ASP 79 -11.096 -0.298 0.350 594 1HB ASP 79 1HB ASP 79 -10.927 -1.964 2.372 595 2HB ASP 79 2HB ASP 79 -9.189 -1.756 2.130 596 H PHE 80 H PHE 80 -8.349 -2.479 -0.335 597 HA PHE 80 HA PHE 80 -6.338 -0.498 -0.471 598 1HB PHE 80 1HB PHE 80 -6.657 -3.335 -1.369 599 2HB PHE 80 2HB PHE 80 -5.443 -2.394 -2.201 600 HD1 PHE 80 HD1 PHE 80 -3.491 -1.472 -1.113 601 HD2 PHE 80 HD2 PHE 80 -6.283 -3.932 1.045 602 HE1 PHE 80 HE1 PHE 80 -1.753 -2.029 0.480 603 HE2 PHE 80 HE2 PHE 80 -4.509 -4.486 2.703 604 HZ PHE 80 HZ PHE 80 -2.223 -3.647 2.387 605 H LEU 81 H LEU 81 -7.974 -2.100 -3.248 606 HA LEU 81 HA LEU 81 -7.241 -0.391 -5.375 607 1HB LEU 81 1HB LEU 81 -8.683 -2.424 -5.595 608 2HB LEU 81 2HB LEU 81 -9.948 -1.624 -4.693 609 HG LEU 81 HG LEU 81 -9.839 0.238 -6.606 610 1HD1 LEU 81 1HD1 LEU 81 -8.694 -2.200 -8.043 611 2HD1 LEU 81 2HD1 LEU 81 -9.293 -0.712 -8.791 612 3HD1 LEU 81 3HD1 LEU 81 -7.860 -0.640 -7.758 613 1HD2 LEU 81 1HD2 LEU 81 -11.085 -2.505 -6.940 614 2HD2 LEU 81 2HD2 LEU 81 -11.778 -1.085 -6.118 615 3HD2 LEU 81 3HD2 LEU 81 -11.500 -1.041 -7.882 616 H ALA 82 H ALA 82 -10.087 -0.125 -3.323 617 HA ALA 82 HA ALA 82 -11.046 2.292 -4.372 618 1HB ALA 82 2HB ALA 82 -12.456 2.388 -2.306 619 2HB ALA 82 3HB ALA 82 -12.485 0.806 -3.110 620 3HB ALA 82 1HB ALA 82 -11.496 1.049 -1.641 621 H LEU 83 H LEU 83 -8.421 1.885 -2.101 622 HA LEU 83 HA LEU 83 -8.563 4.431 -0.924 623 1HB LEU 83 1HB LEU 83 -7.340 2.515 0.011 624 2HB LEU 83 2HB LEU 83 -6.164 2.597 -1.286 625 HG LEU 83 HG LEU 83 -6.441 5.173 0.122 626 1HD1 LEU 83 1HD1 LEU 83 -5.441 2.737 1.659 627 2HD1 LEU 83 2HD1 LEU 83 -5.296 4.430 2.180 628 3HD1 LEU 83 3HD1 LEU 83 -6.885 3.682 2.042 629 1HD2 LEU 83 1HD2 LEU 83 -4.616 4.609 -1.478 630 2HD2 LEU 83 2HD2 LEU 83 -3.994 5.052 0.114 631 3HD2 LEU 83 3HD2 LEU 83 -4.052 3.345 -0.383 632 H MET 84 H MET 84 -6.168 3.368 -3.408 633 HA MET 84 HA MET 84 -5.669 6.140 -4.094 634 1HB MET 84 1HB MET 84 -4.242 5.067 -5.903 635 2HB MET 84 2HB MET 84 -3.771 4.880 -4.217 636 1HG MET 84 1HG MET 84 -5.413 2.716 -5.491 637 2HG MET 84 2HG MET 84 -3.714 2.885 -5.916 638 1HE MET 84 1HE MET 84 -1.954 3.577 -3.623 639 2HE MET 84 2HE MET 84 -1.772 2.135 -2.613 640 3HE MET 84 3HE MET 84 -1.666 2.019 -4.364 641 H THR 85 H THR 85 -7.920 3.691 -5.368 642 HA THR 85 HA THR 85 -8.540 5.303 -7.716 643 HB THR 85 HB THR 85 -9.937 3.053 -6.241 644 HG1 THR 85 HG1 THR 85 -8.741 2.960 -8.794 645 1HG2 THR 85 1HG2 THR 85 -11.630 4.230 -7.587 646 2HG2 THR 85 2HG2 THR 85 -10.586 4.049 -9.023 647 3HG2 THR 85 3HG2 THR 85 -11.253 2.616 -8.191 648 H GLY 86 H GLY 86 -9.361 5.570 -4.249 649 1HA GLY 86 1HA GLY 86 -10.430 7.222 -3.161 650 2HA GLY 86 2HA GLY 86 -10.546 8.129 -4.669 651 H LYS 87 H LYS 87 -11.879 4.879 -3.946 652 HA LYS 87 HA LYS 87 -14.289 5.625 -5.363 653 1HB LYS 87 1HB LYS 87 -13.084 3.230 -4.995 654 2HB LYS 87 2HB LYS 87 -14.228 3.153 -3.657 655 1HG LYS 87 2HG LYS 87 -16.008 3.836 -5.442 656 2HG LYS 87 1HG LYS 87 -15.420 2.179 -5.440 657 1HD LYS 87 1HD LYS 87 -14.033 4.228 -7.166 658 2HD LYS 87 2HD LYS 87 -14.108 2.481 -7.367 659 1HE LYS 87 1HE LYS 87 -16.361 4.493 -7.790 660 2HE LYS 87 2HE LYS 87 -15.444 3.675 -9.048 661 1HZ LYS 87 1HZ LYS 87 -16.360 1.576 -8.244 662 2HZ LYS 87 2HZ LYS 87 -17.325 2.394 -7.159 663 3HZ LYS 87 3HZ LYS 87 -17.495 2.612 -8.792 664 H MET 88 H MET 88 -13.478 5.352 -1.934 665 HA MET 88 HA MET 88 -15.322 7.342 -1.157 666 1HB MET 88 1HB MET 88 -15.868 4.473 -0.208 667 2HB MET 88 2HB MET 88 -16.283 5.887 0.753 668 1HG MET 88 1HG MET 88 -17.566 6.677 -1.371 669 2HG MET 88 2HG MET 88 -17.494 4.966 -1.817 670 1HE MET 88 1HE MET 88 -20.186 5.333 -1.948 671 2HE MET 88 2HE MET 88 -21.209 5.641 -0.528 672 3HE MET 88 3HE MET 88 -20.173 6.937 -1.176 673 H ASN 89 H ASN 89 -14.761 7.928 1.079 674 HA ASN 89 HA ASN 89 -12.231 8.143 1.941 675 1HB ASN 89 1HB ASN 89 -14.643 7.572 3.681 676 2HB ASN 89 2HB ASN 89 -13.066 8.021 4.305 677 2HD2 ASN 89 1HD2 ASN 89 -15.107 9.538 5.129 678 1HD2 ASN 89 2HD2 ASN 89 -14.998 11.101 4.404 679 HA PRO 90 HA PRO 90 -11.601 3.648 2.279 680 1HB PRO 90 1HB PRO 90 -9.025 3.429 1.596 681 2HB PRO 90 2HB PRO 90 -10.243 4.033 0.445 682 1HG PRO 90 2HG PRO 90 -8.651 5.886 0.424 683 2HG PRO 90 1HG PRO 90 -8.371 5.724 2.170 684 1HD PRO 90 1HD PRO 90 -9.987 7.387 2.200 685 2HD PRO 90 2HD PRO 90 -10.742 6.822 0.677 686 H GLN 91 H GLN 91 -11.637 2.653 4.296 687 HA GLN 91 HA GLN 91 -9.431 2.828 6.121 688 1HB GLN 91 1HB GLN 91 -10.641 4.034 7.926 689 2HB GLN 91 2HB GLN 91 -10.191 5.013 6.567 690 1HG GLN 91 1HG GLN 91 -12.614 4.671 5.682 691 2HG GLN 91 2HG GLN 91 -13.009 4.116 7.289 692 2HE2 GLN 91 1HE2 GLN 91 -14.058 6.504 5.964 693 1HE2 GLN 91 2HE2 GLN 91 -13.328 7.906 6.767 694 H SER 92 H SER 92 -10.025 0.507 5.343 695 HA SER 92 HA SER 92 -12.175 -0.861 6.489 696 1HB SER 92 1HB SER 92 -10.629 -1.760 4.794 697 2HB SER 92 2HB SER 92 -9.360 -1.847 6.023 698 HG SER 92 HG SER 92 -11.760 -3.379 5.894 699 H ALA 93 H ALA 93 -9.023 -0.052 8.160 700 HA ALA 93 HA ALA 93 -9.656 -1.019 10.711 701 1HB ALA 93 1HB ALA 93 -8.170 1.473 9.796 702 2HB ALA 93 2HB ALA 93 -8.479 1.180 11.522 703 3HB ALA 93 3HB ALA 93 -7.579 0.012 10.638 704 H PHE 94 H PHE 94 -10.106 2.450 10.300 705 HA PHE 94 HA PHE 94 -11.413 3.848 11.529 706 1HB PHE 94 1HB PHE 94 -12.251 3.394 9.206 707 2HB PHE 94 2HB PHE 94 -13.507 2.382 9.877 708 HD1 PHE 94 HD1 PHE 94 -12.043 5.819 10.623 709 HD2 PHE 94 HD2 PHE 94 -15.572 3.517 9.640 710 HE1 PHE 94 HE1 PHE 94 -13.388 7.875 10.649 711 HE2 PHE 94 HE2 PHE 94 -16.898 5.597 9.674 712 HZ PHE 94 HZ PHE 94 -15.835 7.775 10.178 713 H PHE 95 H PHE 95 -14.408 2.961 11.791 714 HA PHE 95 HA PHE 95 -14.264 2.086 14.574 715 1HB PHE 95 1HB PHE 95 -16.142 3.502 12.859 716 2HB PHE 95 2HB PHE 95 -16.957 2.139 13.589 717 HD1 PHE 95 HD1 PHE 95 -17.167 1.921 16.043 718 HD2 PHE 95 HD2 PHE 95 -15.295 5.369 14.243 719 HE1 PHE 95 HE1 PHE 95 -17.392 3.147 18.173 720 HE2 PHE 95 HE2 PHE 95 -15.499 6.589 16.382 721 HZ PHE 95 HZ PHE 95 -16.542 5.490 18.362 722 H GLN 96 H GLN 96 -14.187 0.335 11.645 723 HA GLN 96 HA GLN 96 -15.927 -1.908 12.358 724 1HB GLN 96 1HB GLN 96 -13.586 -1.436 10.439 725 2HB GLN 96 2HB GLN 96 -14.205 -3.042 10.766 726 1HG GLN 96 1HG GLN 96 -16.535 -1.921 10.100 727 2HG GLN 96 2HG GLN 96 -15.468 -0.831 9.202 728 2HE2 GLN 96 1HE2 GLN 96 -13.434 -2.431 8.293 729 1HE2 GLN 96 2HE2 GLN 96 -14.076 -3.680 7.234 730 H GLY 97 H GLY 97 -12.519 -0.937 12.748 731 1HA GLY 97 1HA GLY 97 -10.944 -1.565 14.264 732 2HA GLY 97 2HA GLY 97 -12.127 -2.531 15.141 733 H LYS 98 H LYS 98 -10.924 -2.726 11.726 734 HA LYS 98 HA LYS 98 -10.623 -5.558 11.758 735 1HB LYS 98 1HB LYS 98 -9.740 -3.305 9.957 736 2HB LYS 98 2HB LYS 98 -8.791 -4.750 9.841 737 1HG LYS 98 1HG LYS 98 -11.468 -5.651 9.796 738 2HG LYS 98 2HG LYS 98 -11.436 -4.220 8.754 739 1HD LYS 98 1HD LYS 98 -9.533 -5.183 7.496 740 2HD LYS 98 2HD LYS 98 -9.474 -6.571 8.582 741 1HE LYS 98 1HE LYS 98 -11.802 -5.879 6.743 742 2HE LYS 98 2HE LYS 98 -10.543 -7.079 6.410 743 1HZ LYS 98 1HZ LYS 98 -11.356 -8.059 8.643 744 2HZ LYS 98 2HZ LYS 98 -12.745 -7.189 8.347 745 3HZ LYS 98 3HZ LYS 98 -12.206 -8.325 7.275 746 H LEU 99 H LEU 99 -8.677 -3.300 13.390 747 HA LEU 99 HA LEU 99 -6.657 -3.404 14.363 748 1HB LEU 99 1HB LEU 99 -7.857 -5.333 15.435 749 2HB LEU 99 2HB LEU 99 -7.066 -6.418 14.299 750 HG LEU 99 HG LEU 99 -4.853 -5.835 15.258 751 1HD1 LEU 99 1HD1 LEU 99 -6.497 -4.053 17.102 752 2HD1 LEU 99 2HD1 LEU 99 -4.799 -4.510 17.385 753 3HD1 LEU 99 3HD1 LEU 99 -5.205 -3.528 15.981 754 1HD2 LEU 99 1HD2 LEU 99 -6.197 -7.698 16.205 755 2HD2 LEU 99 2HD2 LEU 99 -5.190 -6.923 17.435 756 3HD2 LEU 99 3HD2 LEU 99 -6.933 -6.573 17.370 757 H LYS 100 H LYS 100 -6.558 -2.901 11.684 758 HA LYS 100 HA LYS 100 -4.657 -4.504 10.331 759 1HB LYS 100 1HB LYS 100 -4.716 -2.793 8.666 760 2HB LYS 100 2HB LYS 100 -6.293 -3.045 9.315 761 1HG LYS 100 1HG LYS 100 -6.364 -0.849 9.175 762 2HG LYS 100 2HG LYS 100 -5.582 -0.874 10.780 763 1HD LYS 100 1HD LYS 100 -3.381 -0.630 9.598 764 2HD LYS 100 2HD LYS 100 -4.254 -0.598 8.055 765 1HE LYS 100 1HE LYS 100 -4.600 1.468 10.246 766 2HE LYS 100 2HE LYS 100 -3.569 1.645 8.818 767 1HZ LYS 100 1HZ LYS 100 -5.702 1.248 7.490 768 2HZ LYS 100 2HZ LYS 100 -6.504 1.516 8.898 769 3HZ LYS 100 3HZ LYS 100 -5.553 2.669 8.264 770 H ILE 101 H ILE 101 -2.669 -4.643 10.688 771 HA ILE 101 HA ILE 101 -1.315 -3.204 12.818 772 HB ILE 101 HB ILE 101 -0.881 -5.544 11.065 773 1HG1 ILE 101 1HG1 ILE 101 -0.003 -6.608 12.920 774 2HG1 ILE 101 2HG1 ILE 101 0.155 -5.115 13.840 775 1HG2 ILE 101 1HG2 ILE 101 1.115 -4.237 10.417 776 2HG2 ILE 101 2HG2 ILE 101 1.613 -4.178 12.128 777 3HG2 ILE 101 3HG2 ILE 101 1.490 -5.740 11.294 778 1HD1 ILE 101 1HD1 ILE 101 -2.493 -6.320 12.955 779 2HD1 ILE 101 2HD1 ILE 101 -1.798 -6.508 14.548 780 3HD1 ILE 101 3HD1 ILE 101 -2.297 -4.902 14.006 781 H THR 102 H THR 102 1.008 -2.276 12.225 782 HA THR 102 HA THR 102 1.031 -0.660 9.824 783 HB THR 102 HB THR 102 1.015 1.479 11.317 784 HG1 THR 102 HG1 THR 102 0.844 0.738 13.342 785 1HG2 THR 102 1HG2 THR 102 -0.783 0.801 9.650 786 2HG2 THR 102 2HG2 THR 102 -1.677 0.100 11.003 787 3HG2 THR 102 3HG2 THR 102 -1.326 1.819 11.008 788 H GLY 103 H GLY 103 3.166 -0.090 9.424 789 1HA GLY 103 1HA GLY 103 5.187 -1.091 11.279 790 2HA GLY 103 2HA GLY 103 5.447 -0.392 9.683 791 H ASN 104 H ASN 104 3.672 1.987 10.876 792 HA ASN 104 HA ASN 104 4.791 3.332 12.948 793 1HB ASN 104 1HB ASN 104 6.340 3.777 10.378 794 2HB ASN 104 2HB ASN 104 6.084 5.145 11.448 795 2HD2 ASN 104 1HD2 ASN 104 8.626 3.823 10.757 796 1HD2 ASN 104 2HD2 ASN 104 9.307 3.288 12.294 797 H MET 105 H MET 105 4.390 5.882 12.331 798 HA MET 105 HA MET 105 1.798 6.313 11.064 799 1HB MET 105 1HB MET 105 4.023 8.071 12.143 800 2HB MET 105 2HB MET 105 2.686 8.774 11.239 801 1HG MET 105 1HG MET 105 1.047 7.798 12.761 802 2HG MET 105 2HG MET 105 2.333 7.016 13.675 803 1HE MET 105 1HE MET 105 2.141 10.723 12.182 804 2HE MET 105 2HE MET 105 0.515 10.412 12.828 805 3HE MET 105 3HE MET 105 1.583 11.602 13.610 806 H GLY 106 H GLY 106 2.262 8.536 9.372 807 1HA GLY 106 1HA GLY 106 3.080 9.179 7.329 808 2HA GLY 106 2HA GLY 106 4.070 7.722 7.221 809 H LEU 107 H LEU 107 2.688 5.676 7.287 810 HA LEU 107 HA LEU 107 1.486 5.336 4.815 811 1HB LEU 107 2HB LEU 107 2.474 3.564 6.072 812 2HB LEU 107 1HB LEU 107 0.846 3.106 5.609 813 HG LEU 107 HG LEU 107 1.367 4.284 8.371 814 1HD1 LEU 107 1HD1 LEU 107 -1.045 3.889 7.700 815 2HD1 LEU 107 2HD1 LEU 107 -0.659 2.185 7.487 816 3HD1 LEU 107 3HD1 LEU 107 -0.519 2.969 9.074 817 1HD2 LEU 107 1HD2 LEU 107 1.763 1.396 7.525 818 2HD2 LEU 107 2HD2 LEU 107 3.015 2.529 8.111 819 3HD2 LEU 107 3HD2 LEU 107 1.733 1.992 9.198 820 H ALA 108 H ALA 108 -0.180 6.868 7.394 821 HA ALA 108 HA ALA 108 -2.815 5.788 6.782 822 1HB ALA 108 1HB ALA 108 -1.967 8.108 8.532 823 2HB ALA 108 3HB ALA 108 -2.305 6.436 9.034 824 3HB ALA 108 2HB ALA 108 -3.614 7.438 8.390 825 H MET 109 H MET 109 -1.781 9.312 6.599 826 HA MET 109 HA MET 109 -2.389 9.350 3.761 827 1HB MET 109 1HB MET 109 -4.221 10.968 3.876 828 2HB MET 109 2HB MET 109 -4.682 9.399 4.478 829 1HG MET 109 1HG MET 109 -3.802 11.578 6.384 830 2HG MET 109 2HG MET 109 -5.423 11.586 5.710 831 1HE MET 109 1HE MET 109 -7.326 10.083 6.257 832 2HE MET 109 2HE MET 109 -6.501 8.605 5.702 833 3HE MET 109 3HE MET 109 -7.254 8.650 7.305 834 H LYS 110 H LYS 110 -0.017 9.860 4.933 835 HA LYS 110 HA LYS 110 0.310 12.587 5.743 836 1HB LYS 110 1HB LYS 110 1.642 10.531 6.362 837 2HB LYS 110 2HB LYS 110 2.419 10.612 4.786 838 1HG LYS 110 1HG LYS 110 3.841 11.434 6.540 839 2HG LYS 110 2HG LYS 110 3.463 12.776 5.454 840 1HD LYS 110 1HD LYS 110 1.938 13.732 7.043 841 2HD LYS 110 2HD LYS 110 1.914 12.271 8.034 842 1HE LYS 110 1HE LYS 110 4.469 13.849 7.591 843 2HE LYS 110 2HE LYS 110 3.301 14.317 8.828 844 1HZ LYS 110 1HZ LYS 110 4.620 11.651 8.751 845 2HZ LYS 110 2HZ LYS 110 5.092 12.904 9.674 846 3HZ LYS 110 3HZ LYS 110 3.649 12.234 9.940 847 H LEU 111 H LEU 111 -0.261 11.490 2.568 848 HA LEU 111 HA LEU 111 0.245 13.983 1.412 849 1HB LEU 111 1HB LEU 111 1.914 13.500 -0.222 850 2HB LEU 111 2HB LEU 111 2.621 13.332 1.337 851 HG LEU 111 HG LEU 111 1.634 10.884 -0.213 852 1HD1 LEU 111 1HD1 LEU 111 3.227 12.154 -1.628 853 2HD1 LEU 111 2HD1 LEU 111 4.415 12.115 -0.318 854 3HD1 LEU 111 3HD1 LEU 111 3.881 10.601 -1.089 855 1HD2 LEU 111 1HD2 LEU 111 3.511 11.385 2.110 856 2HD2 LEU 111 2HD2 LEU 111 2.117 10.294 2.049 857 3HD2 LEU 111 3HD2 LEU 111 3.593 9.882 1.174 858 H GLN 112 H GLN 112 0.232 13.192 -1.348 859 HA GLN 112 HA GLN 112 -1.996 11.227 -1.480 860 1HB GLN 112 1HB GLN 112 -1.729 13.179 -3.691 861 2HB GLN 112 2HB GLN 112 -3.141 12.333 -3.068 862 1HG GLN 112 1HG GLN 112 -3.096 13.874 -1.076 863 2HG GLN 112 2HG GLN 112 -1.745 14.755 -1.818 864 2HE2 GLN 112 1HE2 GLN 112 -2.297 16.503 -3.155 865 1HE2 GLN 112 2HE2 GLN 112 -3.938 16.752 -3.696 866 H ASN 113 H ASN 113 1.102 12.231 -2.946 867 HA ASN 113 HA ASN 113 0.902 10.475 -5.154 868 1HB ASN 113 1HB ASN 113 2.518 12.436 -4.714 869 2HB ASN 113 2HB ASN 113 3.513 11.279 -3.823 870 2HD2 ASN 113 1HD2 ASN 113 5.108 11.978 -5.488 871 1HD2 ASN 113 2HD2 ASN 113 5.053 11.172 -7.066 872 H LEU 114 H LEU 114 1.392 9.546 -1.885 873 HA LEU 114 HA LEU 114 2.686 6.976 -2.443 874 1HB LEU 114 1HB LEU 114 2.304 8.450 -0.128 875 2HB LEU 114 2HB LEU 114 1.012 7.286 -0.002 876 HG LEU 114 HG LEU 114 3.257 5.705 -0.681 877 1HD1 LEU 114 1HD1 LEU 114 4.638 7.793 -0.064 878 2HD1 LEU 114 2HD1 LEU 114 4.054 7.608 1.566 879 3HD1 LEU 114 3HD1 LEU 114 5.023 6.316 0.825 880 1HD2 LEU 114 1HD2 LEU 114 2.054 6.284 2.067 881 2HD2 LEU 114 2HD2 LEU 114 1.563 5.009 0.940 882 3HD2 LEU 114 3HD2 LEU 114 3.154 4.943 1.695 883 H GLN 115 H GLN 115 -0.341 8.205 -3.289 884 HA GLN 115 HA GLN 115 -1.623 5.594 -3.448 885 1HB GLN 115 1HB GLN 115 -3.649 6.487 -2.291 886 2HB GLN 115 2HB GLN 115 -2.262 6.316 -1.224 887 1HG GLN 115 1HG GLN 115 -1.827 8.730 -1.331 888 2HG GLN 115 2HG GLN 115 -3.171 8.942 -2.466 889 2HE2 GLN 115 1HE2 GLN 115 -2.417 9.602 0.610 890 1HE2 GLN 115 2HE2 GLN 115 -4.022 9.493 1.314 891 H LEU 116 H LEU 116 -0.630 6.851 -5.627 892 HA LEU 116 HA LEU 116 -0.822 8.033 -7.447 893 1HB LEU 116 1HB LEU 116 -3.557 6.773 -7.236 894 2HB LEU 116 2HB LEU 116 -3.199 7.808 -8.592 895 HG LEU 116 HG LEU 116 -1.500 5.406 -7.869 896 1HD1 LEU 116 1HD1 LEU 116 -3.719 5.677 -9.956 897 2HD1 LEU 116 2HD1 LEU 116 -2.633 4.282 -9.780 898 3HD1 LEU 116 3HD1 LEU 116 -3.749 4.676 -8.483 899 1HD2 LEU 116 1HD2 LEU 116 -1.450 7.342 -10.196 900 2HD2 LEU 116 2HD2 LEU 116 -0.123 6.823 -9.119 901 3HD2 LEU 116 3HD2 LEU 116 -0.760 5.733 -10.305 902 H GLN 117 H GLN 117 -1.661 9.702 -8.761 903 HA GLN 117 HA GLN 117 -2.632 12.012 -7.281 904 1HB GLN 117 1HB GLN 117 -1.378 11.534 -9.856 905 2HB GLN 117 2HB GLN 117 -2.899 12.394 -10.118 906 1HG GLN 117 1HG GLN 117 -1.105 13.986 -9.800 907 2HG GLN 117 2HG GLN 117 -2.226 14.089 -8.446 908 2HE2 GLN 117 1HE2 GLN 117 -1.285 13.991 -6.378 909 1HE2 GLN 117 2HE2 GLN 117 0.384 13.574 -6.108 910 HA PRO 118 HA PRO 118 -6.870 10.674 -8.087 911 1HB PRO 118 1HB PRO 118 -8.239 12.662 -6.824 912 2HB PRO 118 2HB PRO 118 -7.242 11.489 -5.916 913 1HG PRO 118 2HG PRO 118 -6.302 13.533 -5.160 914 2HG PRO 118 1HG PRO 118 -6.473 14.280 -6.786 915 1HD PRO 118 1HD PRO 118 -4.257 13.608 -6.995 916 2HD PRO 118 2HD PRO 118 -4.446 12.294 -5.794 917 H GLY 119 H GLY 119 -8.876 11.707 -9.138 918 1HA GLY 119 1HA GLY 119 -8.433 14.212 -10.612 919 2HA GLY 119 2HA GLY 119 -8.651 12.757 -11.588 920 H ASN 120 H ASN 120 -10.163 14.932 -9.229 921 HA ASN 120 HA ASN 120 -12.869 14.401 -10.080 922 1HB ASN 120 1HB ASN 120 -12.780 12.376 -8.827 923 2HB ASN 120 2HB ASN 120 -11.764 13.073 -7.575 924 2HD2 ASN 120 1HD2 ASN 120 -15.119 13.184 -8.924 925 1HD2 ASN 120 2HD2 ASN 120 -15.820 13.704 -7.427 926 H ALA 121 H ALA 121 -13.919 16.361 -9.662 927 HA ALA 121 HA ALA 121 -12.792 18.267 -7.703 928 1HB ALA 121 1HB ALA 121 -15.138 18.451 -9.630 929 2HB ALA 121 3HB ALA 121 -13.535 19.221 -9.776 930 3HB ALA 121 2HB ALA 121 -14.646 19.716 -8.487 931 H LYS 122 H LYS 122 -13.215 17.644 -5.657 932 HA LYS 122 HA LYS 122 -15.442 15.889 -5.051 933 1HB LYS 122 1HB LYS 122 -13.167 15.609 -4.131 934 2HB LYS 122 2HB LYS 122 -13.346 17.115 -3.221 935 1HG LYS 122 1HG LYS 122 -15.242 16.163 -1.981 936 2HG LYS 122 2HG LYS 122 -15.180 14.678 -2.944 937 1HD LYS 122 1HD LYS 122 -12.778 15.665 -1.370 938 2HD LYS 122 2HD LYS 122 -14.063 14.762 -0.571 939 1HE LYS 122 1HE LYS 122 -12.751 13.634 -3.066 940 2HE LYS 122 2HE LYS 122 -11.949 13.528 -1.491 941 1HZ LYS 122 1HZ LYS 122 -13.934 12.464 -0.623 942 2HZ LYS 122 2HZ LYS 122 -14.599 12.402 -2.131 943 3HZ LYS 122 3HZ LYS 122 -13.201 11.586 -1.813 944 H LEU 123 H LEU 123 -17.313 16.967 -5.260 945 HA LEU 123 HA LEU 123 -19.123 18.184 -4.804 946 1HB LEU 123 1HB LEU 123 -18.180 18.013 -2.214 947 2HB LEU 123 2HB LEU 123 -18.065 19.727 -2.497 948 HG LEU 123 HG LEU 123 -20.540 19.510 -3.389 949 1HD1 LEU 123 1HD1 LEU 123 -20.607 17.050 -3.459 950 2HD1 LEU 123 2HD1 LEU 123 -20.330 16.981 -1.708 951 3HD1 LEU 123 3HD1 LEU 123 -21.822 17.695 -2.351 952 1HD2 LEU 123 1HD2 LEU 123 -19.779 19.274 -0.449 953 2HD2 LEU 123 2HD2 LEU 123 -20.015 20.744 -1.408 954 3HD2 LEU 123 3HD2 LEU 123 -21.402 19.732 -1.045 No H/Q in entry = 954 Start of MODEL 2 1 H SER 1 H SER 1 -0.132 -18.050 4.664 2 HA SER 1 HA SER 1 -1.271 -18.778 2.858 3 1HB SER 1 1HB SER 1 -3.459 -17.789 4.689 4 2HB SER 1 2HB SER 1 -3.876 -18.245 3.034 5 HG SER 1 HG SER 1 -2.488 -19.953 4.881 6 H SER 2 H SER 2 0.122 -17.096 1.768 7 HA SER 2 HA SER 2 -1.443 -15.422 -0.027 8 1HB SER 2 1HB SER 2 0.402 -14.279 2.106 9 2HB SER 2 2HB SER 2 -0.175 -13.336 0.730 10 HG SER 2 HG SER 2 -2.152 -14.567 2.188 11 H ALA 3 H ALA 3 -0.366 -16.104 -1.850 12 HA ALA 3 HA ALA 3 1.804 -14.491 -2.456 13 1HB ALA 3 3HB ALA 3 3.289 -16.225 -1.477 14 2HB ALA 3 2HB ALA 3 3.511 -16.100 -3.213 15 3HB ALA 3 1HB ALA 3 2.558 -17.446 -2.538 16 H SER 4 H SER 4 -0.722 -14.574 -3.481 17 HA SER 4 HA SER 4 -0.730 -16.431 -5.778 18 1HB SER 4 1HB SER 4 -2.690 -16.232 -4.137 19 2HB SER 4 2HB SER 4 -3.100 -14.755 -5.043 20 HG SER 4 HG SER 4 -2.752 -16.218 -6.948 21 H ASP 5 H ASP 5 -0.082 -13.091 -5.440 22 HA ASP 5 HA ASP 5 0.352 -11.429 -7.038 23 1HB ASP 5 2HB ASP 5 2.223 -12.240 -8.159 24 2HB ASP 5 1HB ASP 5 1.514 -13.821 -8.437 25 H GLY 6 H GLY 6 -2.335 -12.548 -7.781 26 1HA GLY 6 1HA GLY 6 -2.184 -11.984 -10.736 27 2HA GLY 6 2HA GLY 6 -2.974 -13.402 -10.060 28 H PHE 7 H PHE 7 -3.046 -9.826 -9.898 29 HA PHE 7 HA PHE 7 -6.031 -9.800 -10.143 30 1HB PHE 7 2HB PHE 7 -6.297 -8.371 -8.241 31 2HB PHE 7 1HB PHE 7 -4.569 -8.142 -8.062 32 HD1 PHE 7 HD1 PHE 7 -7.355 -10.539 -7.498 33 HD2 PHE 7 HD2 PHE 7 -3.143 -9.765 -7.039 34 HE1 PHE 7 HE1 PHE 7 -7.166 -12.458 -5.926 35 HE2 PHE 7 HE2 PHE 7 -2.937 -11.737 -5.556 36 HZ PHE 7 HZ PHE 7 -4.944 -13.029 -4.946 37 H LYS 8 H LYS 8 -6.826 -7.641 -10.801 38 HA LYS 8 HA LYS 8 -5.015 -5.974 -12.317 39 1HB LYS 8 1HB LYS 8 -7.915 -5.886 -11.494 40 2HB LYS 8 2HB LYS 8 -7.155 -4.373 -11.988 41 1HG LYS 8 1HG LYS 8 -6.311 -5.441 -14.058 42 2HG LYS 8 2HG LYS 8 -7.128 -6.941 -13.631 43 1HD LYS 8 1HD LYS 8 -8.485 -4.239 -14.070 44 2HD LYS 8 2HD LYS 8 -8.333 -5.496 -15.296 45 1HE LYS 8 1HE LYS 8 -9.770 -5.891 -12.630 46 2HE LYS 8 2HE LYS 8 -10.570 -5.432 -14.136 47 1HZ LYS 8 1HZ LYS 8 -9.756 -7.465 -15.139 48 2HZ LYS 8 2HZ LYS 8 -9.068 -7.931 -13.719 49 3HZ LYS 8 3HZ LYS 8 -10.705 -7.773 -13.827 50 H ALA 9 H ALA 9 -5.392 -6.126 -8.921 51 HA ALA 9 HA ALA 9 -4.580 -3.464 -8.326 52 1HB ALA 9 3HB ALA 9 -3.908 -4.378 -6.188 53 2HB ALA 9 2HB ALA 9 -3.930 -6.035 -6.826 54 3HB ALA 9 1HB ALA 9 -5.441 -5.104 -6.659 55 H ASN 10 H ASN 10 -2.888 -5.792 -10.194 56 HA ASN 10 HA ASN 10 -0.296 -5.590 -9.176 57 1HB ASN 10 1HB ASN 10 -1.339 -7.089 -11.106 58 2HB ASN 10 2HB ASN 10 -0.756 -5.811 -12.162 59 2HD2 ASN 10 1HD2 ASN 10 0.026 -8.531 -10.236 60 1HD2 ASN 10 2HD2 ASN 10 1.727 -8.512 -10.229 61 H LEU 11 H LEU 11 -1.979 -3.380 -11.403 62 HA LEU 11 HA LEU 11 0.291 -1.629 -11.872 63 1HB LEU 11 2HB LEU 11 -2.147 -2.111 -13.064 64 2HB LEU 11 1HB LEU 11 -0.931 -0.957 -13.499 65 HG LEU 11 HG LEU 11 -3.135 -0.107 -13.556 66 1HD1 LEU 11 1HD1 LEU 11 -3.901 -1.491 -11.449 67 2HD1 LEU 11 2HD1 LEU 11 -3.537 0.049 -10.627 68 3HD1 LEU 11 3HD1 LEU 11 -4.696 0.021 -11.931 69 1HD2 LEU 11 1HD2 LEU 11 -1.223 1.394 -13.045 70 2HD2 LEU 11 2HD2 LEU 11 -2.790 2.020 -12.514 71 3HD2 LEU 11 3HD2 LEU 11 -1.647 1.352 -11.342 72 H VAL 12 H VAL 12 -2.331 -1.760 -9.474 73 HA VAL 12 HA VAL 12 -2.043 0.794 -8.418 74 HB VAL 12 HB VAL 12 -3.381 -1.754 -7.801 75 1HG1 VAL 12 1HG1 VAL 12 -2.467 -0.204 -5.421 76 2HG1 VAL 12 2HG1 VAL 12 -4.049 -1.004 -5.439 77 3HG1 VAL 12 3HG1 VAL 12 -2.560 -1.934 -5.686 78 1HG2 VAL 12 1HG2 VAL 12 -4.112 1.144 -7.750 79 2HG2 VAL 12 2HG2 VAL 12 -4.649 -0.154 -8.819 80 3HG2 VAL 12 3HG2 VAL 12 -5.198 -0.117 -7.156 81 H PHE 13 H PHE 13 -0.442 -2.241 -7.226 82 HA PHE 13 HA PHE 13 0.949 -0.720 -5.199 83 1HB PHE 13 1HB PHE 13 1.638 -3.418 -6.335 84 2HB PHE 13 2HB PHE 13 2.250 -2.743 -4.822 85 HD1 PHE 13 HD1 PHE 13 0.465 -2.167 -2.968 86 HD2 PHE 13 HD2 PHE 13 -0.178 -4.845 -6.277 87 HE1 PHE 13 HE1 PHE 13 -1.678 -3.064 -1.912 88 HE2 PHE 13 HE2 PHE 13 -2.233 -5.755 -5.127 89 HZ PHE 13 HZ PHE 13 -3.027 -4.737 -3.088 90 H LYS 14 H LYS 14 1.632 -1.252 -8.660 91 HA LYS 14 HA LYS 14 4.389 -0.797 -8.434 92 1HB LYS 14 1HB LYS 14 2.805 -1.762 -10.256 93 2HB LYS 14 2HB LYS 14 2.764 -0.124 -10.875 94 1HG LYS 14 1HG LYS 14 5.291 -0.068 -10.946 95 2HG LYS 14 2HG LYS 14 5.312 -1.713 -10.333 96 1HD LYS 14 1HD LYS 14 3.602 -2.035 -12.477 97 2HD LYS 14 2HD LYS 14 4.548 -0.651 -13.020 98 1HE LYS 14 1HE LYS 14 5.723 -2.527 -13.807 99 2HE LYS 14 2HE LYS 14 6.619 -2.000 -12.361 100 1HZ LYS 14 1HZ LYS 14 4.659 -4.209 -12.443 101 2HZ LYS 14 2HZ LYS 14 6.285 -4.412 -12.474 102 3HZ LYS 14 3HZ LYS 14 5.606 -3.789 -11.141 103 H GLU 15 H GLU 15 1.655 1.470 -8.852 104 HA GLU 15 HA GLU 15 3.207 3.775 -9.483 105 1HB GLU 15 1HB GLU 15 0.627 3.293 -8.084 106 2HB GLU 15 2HB GLU 15 1.420 4.791 -7.605 107 1HG GLU 15 1HG GLU 15 0.998 4.113 -10.523 108 2HG GLU 15 2HG GLU 15 -0.243 4.830 -9.507 109 H ILE 16 H ILE 16 2.551 2.440 -6.201 110 HA ILE 16 HA ILE 16 4.111 4.210 -4.712 111 HB ILE 16 HB ILE 16 3.474 1.233 -4.363 112 1HG1 ILE 16 1HG1 ILE 16 2.165 3.376 -2.767 113 2HG1 ILE 16 2HG1 ILE 16 1.513 3.078 -4.384 114 1HG2 ILE 16 1HG2 ILE 16 4.504 3.217 -2.320 115 2HG2 ILE 16 2HG2 ILE 16 3.956 1.565 -1.961 116 3HG2 ILE 16 3HG2 ILE 16 5.378 1.823 -2.961 117 1HD1 ILE 16 1HD1 ILE 16 1.777 0.923 -2.279 118 2HD1 ILE 16 2HD1 ILE 16 0.334 1.924 -2.526 119 3HD1 ILE 16 3HD1 ILE 16 0.903 0.869 -3.830 120 H GLU 17 H GLU 17 4.975 1.158 -6.386 121 HA GLU 17 HA GLU 17 7.730 1.139 -5.689 122 1HB GLU 17 1HB GLU 17 6.477 -0.811 -6.479 123 2HB GLU 17 2HB GLU 17 6.303 -0.084 -8.023 124 1HG GLU 17 1HG GLU 17 8.612 -0.244 -8.587 125 2HG GLU 17 2HG GLU 17 9.084 -0.567 -6.932 126 H LYS 18 H LYS 18 6.181 2.422 -8.671 127 HA LYS 18 HA LYS 18 8.539 2.981 -9.991 128 1HB LYS 18 1HB LYS 18 5.860 4.408 -10.031 129 2HB LYS 18 2HB LYS 18 7.201 4.990 -11.021 130 1HG LYS 18 1HG LYS 18 7.323 2.908 -12.257 131 2HG LYS 18 2HG LYS 18 6.175 2.147 -11.166 132 1HD LYS 18 1HD LYS 18 4.662 2.682 -12.691 133 2HD LYS 18 2HD LYS 18 4.642 4.270 -11.952 134 1HE LYS 18 1HE LYS 18 6.067 3.358 -14.479 135 2HE LYS 18 2HE LYS 18 4.699 4.449 -14.360 136 1HZ LYS 18 1HZ LYS 18 6.241 6.079 -13.279 137 2HZ LYS 18 2HZ LYS 18 7.492 5.055 -13.605 138 3HZ LYS 18 3HZ LYS 18 6.641 5.697 -14.809 139 H LYS 19 H LYS 19 6.636 5.086 -7.827 140 HA LYS 19 HA LYS 19 8.407 7.305 -7.833 141 1HB LYS 19 1HB LYS 19 6.004 7.244 -7.054 142 2HB LYS 19 2HB LYS 19 6.512 6.352 -5.641 143 1HG LYS 19 1HG LYS 19 6.128 8.759 -5.255 144 2HG LYS 19 2HG LYS 19 7.738 8.223 -4.767 145 1HD LYS 19 1HD LYS 19 8.781 9.332 -6.595 146 2HD LYS 19 2HD LYS 19 7.239 9.601 -7.437 147 1HE LYS 19 1HE LYS 19 7.567 10.692 -4.643 148 2HE LYS 19 2HE LYS 19 8.450 11.510 -5.943 149 1HZ LYS 19 1HZ LYS 19 5.551 11.003 -6.213 150 2HZ LYS 19 2HZ LYS 19 6.147 12.368 -5.471 151 3HZ LYS 19 3HZ LYS 19 6.544 12.101 -6.990 152 H LEU 20 H LEU 20 8.303 4.391 -5.638 153 HA LEU 20 HA LEU 20 10.446 5.257 -4.054 154 1HB LEU 20 1HB LEU 20 8.793 2.890 -4.346 155 2HB LEU 20 2HB LEU 20 10.445 2.417 -4.199 156 HG LEU 20 HG LEU 20 9.797 4.611 -2.300 157 1HD1 LEU 20 1HD1 LEU 20 7.558 3.612 -2.540 158 2HD1 LEU 20 2HD1 LEU 20 8.217 2.097 -1.908 159 3HD1 LEU 20 3HD1 LEU 20 8.237 3.580 -0.908 160 1HD2 LEU 20 1HD2 LEU 20 11.779 3.060 -2.305 161 2HD2 LEU 20 2HD2 LEU 20 10.985 3.312 -0.767 162 3HD2 LEU 20 3HD2 LEU 20 10.673 1.808 -1.656 163 H GLU 21 H GLU 21 10.504 3.569 -7.203 164 HA GLU 21 HA GLU 21 13.370 3.167 -6.974 165 1HB GLU 21 2HB GLU 21 13.437 2.558 -9.270 166 2HB GLU 21 1HB GLU 21 11.891 3.329 -9.580 167 1HG GLU 21 1HG GLU 21 10.767 1.606 -8.129 168 2HG GLU 21 2HG GLU 21 11.472 1.050 -9.604 169 H GLU 22 H GLU 22 11.289 5.667 -8.441 170 HA GLU 22 HA GLU 22 13.275 7.175 -9.753 171 1HB GLU 22 1HB GLU 22 10.544 7.985 -8.722 172 2HB GLU 22 2HB GLU 22 11.484 8.936 -9.851 173 1HG GLU 22 1HG GLU 22 11.014 6.120 -10.722 174 2HG GLU 22 2HG GLU 22 9.555 7.088 -10.507 175 H GLU 23 H GLU 23 11.826 7.625 -6.495 176 HA GLU 23 HA GLU 23 14.178 8.949 -5.586 177 1HB GLU 23 1HB GLU 23 12.701 10.808 -6.680 178 2HB GLU 23 2HB GLU 23 11.679 10.624 -5.254 179 1HG GLU 23 1HG GLU 23 13.893 10.685 -3.919 180 2HG GLU 23 2HG GLU 23 14.648 11.189 -5.428 181 H GLY 24 H GLY 24 13.449 6.545 -4.783 182 1HA GLY 24 1HA GLY 24 11.662 6.190 -2.674 183 2HA GLY 24 2HA GLY 24 13.183 5.326 -2.904 184 H GLU 25 H GLU 25 14.905 7.759 -2.580 185 HA GLU 25 HA GLU 25 15.430 7.432 0.114 186 1HB GLU 25 2HB GLU 25 17.070 8.294 -1.335 187 2HB GLU 25 1HB GLU 25 16.854 9.401 -0.004 188 1HG GLU 25 1HG GLU 25 15.724 9.830 -2.804 189 2HG GLU 25 2HG GLU 25 15.626 10.972 -1.468 190 H GLN 26 H GLN 26 13.259 9.936 -1.369 191 HA GLN 26 HA GLN 26 12.743 11.240 1.153 192 1HB GLN 26 1HB GLN 26 12.775 12.156 -1.218 193 2HB GLN 26 2HB GLN 26 11.160 11.457 -1.437 194 1HG GLN 26 1HG GLN 26 10.392 12.734 0.576 195 2HG GLN 26 2HG GLN 26 12.012 13.410 0.744 196 2HE2 GLN 26 1HE2 GLN 26 12.592 14.129 -1.924 197 1HE2 GLN 26 2HE2 GLN 26 11.519 15.367 -2.386 198 H PHE 27 H PHE 27 11.460 8.457 -0.464 199 HA PHE 27 HA PHE 27 8.845 8.575 0.928 200 1HB PHE 27 1HB PHE 27 10.037 7.177 -1.413 201 2HB PHE 27 2HB PHE 27 9.078 6.154 -0.382 202 HD1 PHE 27 HD1 PHE 27 8.225 9.788 -0.779 203 HD2 PHE 27 HD2 PHE 27 7.464 5.793 -2.218 204 HE1 PHE 27 HE1 PHE 27 6.177 10.574 -1.895 205 HE2 PHE 27 HE2 PHE 27 5.441 6.606 -3.372 206 HZ PHE 27 HZ PHE 27 4.777 9.003 -3.197 207 H VAL 28 H VAL 28 11.969 6.941 1.136 208 HA VAL 28 HA VAL 28 11.516 5.033 3.153 209 HB VAL 28 HB VAL 28 13.843 6.797 2.355 210 1HG1 VAL 28 1HG1 VAL 28 13.803 4.844 4.647 211 2HG1 VAL 28 2HG1 VAL 28 15.303 5.287 3.801 212 3HG1 VAL 28 3HG1 VAL 28 14.369 6.524 4.653 213 1HG2 VAL 28 1HG2 VAL 28 13.150 4.804 0.926 214 2HG2 VAL 28 2HG2 VAL 28 14.827 4.846 1.487 215 3HG2 VAL 28 3HG2 VAL 28 13.676 3.776 2.273 216 H LYS 29 H LYS 29 12.393 8.525 3.478 217 HA LYS 29 HA LYS 29 12.348 8.469 6.275 218 1HB LYS 29 1HB LYS 29 12.454 10.823 6.201 219 2HB LYS 29 2HB LYS 29 13.390 10.208 4.855 220 1HG LYS 29 1HG LYS 29 12.169 11.343 3.349 221 2HG LYS 29 2HG LYS 29 10.637 10.822 4.036 222 1HD LYS 29 1HD LYS 29 12.310 13.105 5.147 223 2HD LYS 29 2HD LYS 29 10.923 13.282 4.048 224 1HE LYS 29 1HE LYS 29 9.471 12.087 5.700 225 2HE LYS 29 2HE LYS 29 10.840 11.962 6.803 226 1HZ LYS 29 1HZ LYS 29 10.897 14.387 6.896 227 2HZ LYS 29 2HZ LYS 29 9.551 14.466 5.933 228 3HZ LYS 29 3HZ LYS 29 9.466 13.749 7.408 229 H LYS 30 H LYS 30 9.615 8.367 4.291 230 HA LYS 30 HA LYS 30 7.815 9.720 6.136 231 1HB LYS 30 1HB LYS 30 7.165 8.046 3.677 232 2HB LYS 30 2HB LYS 30 5.991 8.976 4.620 233 1HG LYS 30 1HG LYS 30 7.147 11.073 4.106 234 2HG LYS 30 2HG LYS 30 8.419 10.195 3.258 235 1HD LYS 30 1HD LYS 30 6.744 9.343 1.631 236 2HD LYS 30 2HD LYS 30 5.509 10.354 2.394 237 1HE LYS 30 1HE LYS 30 8.137 11.502 1.374 238 2HE LYS 30 2HE LYS 30 6.780 11.242 0.280 239 1HZ LYS 30 1HZ LYS 30 6.567 12.930 2.682 240 2HZ LYS 30 2HZ LYS 30 6.879 13.485 1.176 241 3HZ LYS 30 3HZ LYS 30 5.455 12.744 1.453 242 H ILE 31 H ILE 31 8.155 6.343 5.041 243 HA ILE 31 HA ILE 31 6.268 5.214 7.041 244 HB ILE 31 HB ILE 31 8.070 4.142 4.841 245 1HG1 ILE 31 1HG1 ILE 31 5.123 3.761 4.763 246 2HG1 ILE 31 2HG1 ILE 31 5.595 5.445 4.744 247 1HG2 ILE 31 1HG2 ILE 31 6.315 2.688 6.847 248 2HG2 ILE 31 2HG2 ILE 31 6.805 1.986 5.302 249 3HG2 ILE 31 3HG2 ILE 31 8.024 2.405 6.479 250 1HD1 ILE 31 1HD1 ILE 31 7.067 5.016 2.778 251 2HD1 ILE 31 2HD1 ILE 31 6.383 3.370 2.699 252 3HD1 ILE 31 3HD1 ILE 31 5.335 4.764 2.510 253 H GLY 32 H GLY 32 9.833 4.719 6.186 254 1HA GLY 32 1HA GLY 32 11.606 4.064 7.364 255 2HA GLY 32 2HA GLY 32 10.860 4.781 8.789 256 H GLY 33 H GLY 33 10.588 1.792 6.691 257 1HA GLY 33 1HA GLY 33 11.537 -0.060 8.311 258 2HA GLY 33 2HA GLY 33 9.930 0.117 9.031 259 H ILE 34 H ILE 34 10.946 -2.321 7.646 260 HA ILE 34 HA ILE 34 9.716 -2.249 4.977 261 HB ILE 34 HB ILE 34 10.517 -4.713 6.615 262 1HG1 ILE 34 2HG1 ILE 34 11.937 -3.306 4.312 263 2HG1 ILE 34 1HG1 ILE 34 12.194 -4.988 4.652 264 1HG2 ILE 34 1HG2 ILE 34 9.644 -4.468 3.693 265 2HG2 ILE 34 2HG2 ILE 34 10.248 -5.957 4.451 266 3HG2 ILE 34 3HG2 ILE 34 8.724 -5.271 4.975 267 1HD1 ILE 34 1HD1 ILE 34 12.960 -4.529 6.933 268 2HD1 ILE 34 2HD1 ILE 34 13.961 -3.734 5.705 269 3HD1 ILE 34 3HD1 ILE 34 12.810 -2.787 6.653 270 H PHE 35 H PHE 35 7.580 -2.678 4.505 271 HA PHE 35 HA PHE 35 6.106 -4.259 6.516 272 1HB PHE 35 2HB PHE 35 5.361 -1.956 6.797 273 2HB PHE 35 1HB PHE 35 4.071 -3.018 6.254 274 HD1 PHE 35 HD1 PHE 35 3.527 -2.994 3.691 275 HD2 PHE 35 HD2 PHE 35 5.836 0.050 5.660 276 HE1 PHE 35 HE1 PHE 35 3.180 -1.527 1.796 277 HE2 PHE 35 HE2 PHE 35 5.285 1.632 3.796 278 HZ PHE 35 HZ PHE 35 3.960 0.851 1.864 279 H ALA 36 H ALA 36 4.410 -5.485 5.586 280 HA ALA 36 HA ALA 36 4.445 -5.665 2.598 281 1HB ALA 36 2HB ALA 36 3.725 -8.017 2.920 282 2HB ALA 36 3HB ALA 36 5.333 -7.677 3.553 283 3HB ALA 36 1HB ALA 36 3.977 -7.838 4.675 284 H PHE 37 H PHE 37 2.406 -6.060 1.569 285 HA PHE 37 HA PHE 37 0.137 -4.664 2.931 286 1HB PHE 37 1HB PHE 37 0.878 -5.177 0.015 287 2HB PHE 37 2HB PHE 37 -0.665 -4.534 0.508 288 HD1 PHE 37 HD1 PHE 37 -0.051 -2.437 2.496 289 HD2 PHE 37 HD2 PHE 37 1.959 -3.528 -1.163 290 HE1 PHE 37 HE1 PHE 37 0.490 -0.088 2.092 291 HE2 PHE 37 HE2 PHE 37 2.554 -1.213 -1.545 292 HZ PHE 37 HZ PHE 37 1.753 0.594 0.042 293 H LYS 38 H LYS 38 -1.036 -6.406 3.962 294 HA LYS 38 HA LYS 38 -1.370 -8.859 2.418 295 1HB LYS 38 1HB LYS 38 -1.301 -8.590 5.057 296 2HB LYS 38 2HB LYS 38 -2.898 -7.929 4.935 297 1HG LYS 38 1HG LYS 38 -2.943 -10.301 5.605 298 2HG LYS 38 2HG LYS 38 -3.800 -10.034 4.084 299 1HD LYS 38 1HD LYS 38 -2.436 -12.093 4.062 300 2HD LYS 38 2HD LYS 38 -1.964 -10.964 2.799 301 1HE LYS 38 1HE LYS 38 -0.114 -10.163 4.469 302 2HE LYS 38 2HE LYS 38 -0.517 -11.615 5.401 303 1HZ LYS 38 1HZ LYS 38 -0.134 -12.805 3.225 304 2HZ LYS 38 2HZ LYS 38 0.570 -11.442 2.660 305 3HZ LYS 38 3HZ LYS 38 1.210 -12.233 3.971 306 H VAL 39 H VAL 39 -2.746 -8.765 0.616 307 HA VAL 39 HA VAL 39 -5.232 -7.132 0.945 308 HB VAL 39 HB VAL 39 -3.577 -7.493 -1.590 309 1HG1 VAL 39 1HG1 VAL 39 -6.013 -7.049 -1.882 310 2HG1 VAL 39 2HG1 VAL 39 -5.825 -5.570 -0.908 311 3HG1 VAL 39 3HG1 VAL 39 -5.003 -5.734 -2.474 312 1HG2 VAL 39 1HG2 VAL 39 -3.321 -5.543 0.643 313 2HG2 VAL 39 2HG2 VAL 39 -2.139 -6.105 -0.528 314 3HG2 VAL 39 3HG2 VAL 39 -3.296 -4.855 -0.965 315 H LYS 40 H LYS 40 -6.632 -8.774 1.452 316 HA LYS 40 HA LYS 40 -6.673 -11.130 -0.338 317 1HB LYS 40 1HB LYS 40 -8.370 -11.937 1.462 318 2HB LYS 40 2HB LYS 40 -6.645 -12.083 1.724 319 1HG LYS 40 1HG LYS 40 -6.770 -10.023 3.183 320 2HG LYS 40 2HG LYS 40 -8.526 -10.059 2.956 321 1HD LYS 40 2HD LYS 40 -8.013 -11.059 5.056 322 2HD LYS 40 1HD LYS 40 -6.745 -12.073 4.394 323 1HE LYS 40 1HE LYS 40 -9.018 -13.084 5.112 324 2HE LYS 40 2HE LYS 40 -9.658 -12.478 3.581 325 1HZ LYS 40 1HZ LYS 40 -7.343 -14.343 3.855 326 2HZ LYS 40 2HZ LYS 40 -8.871 -14.798 3.535 327 3HZ LYS 40 3HZ LYS 40 -8.077 -13.901 2.439 328 H ASP 41 H ASP 41 -8.985 -11.981 -0.622 329 HA ASP 41 HA ASP 41 -10.923 -11.826 -1.734 330 1HB ASP 41 1HB ASP 41 -11.103 -10.404 0.607 331 2HB ASP 41 2HB ASP 41 -11.406 -9.122 -0.490 332 H GLY 42 H GLY 42 -8.785 -11.061 -3.274 333 1HA GLY 42 1HA GLY 42 -9.039 -8.595 -4.677 334 2HA GLY 42 2HA GLY 42 -8.228 -10.045 -5.233 335 HA PRO 43 HA PRO 43 -12.087 -9.560 -7.853 336 1HB PRO 43 1HB PRO 43 -10.946 -8.680 -10.188 337 2HB PRO 43 2HB PRO 43 -11.584 -7.576 -8.934 338 1HG PRO 43 1HG PRO 43 -8.704 -8.420 -9.373 339 2HG PRO 43 2HG PRO 43 -9.361 -6.775 -9.082 340 1HD PRO 43 1HD PRO 43 -8.275 -8.319 -7.083 341 2HD PRO 43 2HD PRO 43 -9.646 -7.206 -6.800 342 H GLY 44 H GLY 44 -11.855 -11.769 -7.399 343 1HA GLY 44 1HA GLY 44 -10.997 -13.743 -9.085 344 2HA GLY 44 2HA GLY 44 -9.529 -13.255 -8.217 345 H GLY 45 H GLY 45 -10.151 -12.782 -5.639 346 1HA GLY 45 1HA GLY 45 -11.747 -13.355 -3.937 347 2HA GLY 45 2HA GLY 45 -11.859 -14.981 -4.620 348 H LYS 46 H LYS 46 -8.921 -14.821 -5.287 349 HA LYS 46 HA LYS 46 -7.672 -15.701 -2.803 350 1HB LYS 46 1HB LYS 46 -6.731 -15.093 -5.619 351 2HB LYS 46 2HB LYS 46 -5.640 -15.693 -4.352 352 1HG LYS 46 1HG LYS 46 -7.270 -17.681 -4.067 353 2HG LYS 46 2HG LYS 46 -7.938 -17.207 -5.642 354 1HD LYS 46 1HD LYS 46 -5.623 -17.321 -6.595 355 2HD LYS 46 2HD LYS 46 -5.029 -17.803 -5.000 356 1HE LYS 46 1HE LYS 46 -6.435 -19.865 -5.135 357 2HE LYS 46 2HE LYS 46 -6.856 -19.427 -6.802 358 1HZ LYS 46 1HZ LYS 46 -4.121 -19.860 -5.766 359 2HZ LYS 46 2HZ LYS 46 -4.943 -20.929 -6.703 360 3HZ LYS 46 3HZ LYS 46 -4.487 -19.480 -7.326 361 H GLU 47 H GLU 47 -5.263 -14.650 -2.757 362 HA GLU 47 HA GLU 47 -5.617 -11.749 -2.239 363 1HB GLU 47 1HB GLU 47 -4.230 -12.141 -0.173 364 2HB GLU 47 2HB GLU 47 -5.786 -12.964 -0.136 365 1HG GLU 47 1HG GLU 47 -3.281 -14.451 -0.933 366 2HG GLU 47 2HG GLU 47 -3.768 -14.204 0.745 367 H ALA 48 H ALA 48 -3.876 -10.428 -2.345 368 HA ALA 48 HA ALA 48 -1.331 -11.331 -3.659 369 1HB ALA 48 1HB ALA 48 -2.648 -8.588 -3.327 370 2HB ALA 48 3HB ALA 48 -2.396 -9.473 -4.845 371 3HB ALA 48 2HB ALA 48 -1.017 -8.837 -3.941 372 H THR 49 H THR 49 0.655 -10.297 -2.742 373 HA THR 49 HA THR 49 0.293 -8.410 -0.699 374 HB THR 49 HB THR 49 1.816 -10.970 0.063 375 HG1 THR 49 HG1 THR 49 -0.544 -10.522 0.450 376 1HG2 THR 49 1HG2 THR 49 1.792 -8.239 1.437 377 2HG2 THR 49 2HG2 THR 49 2.365 -9.741 2.208 378 3HG2 THR 49 3HG2 THR 49 3.193 -9.075 0.795 379 H TRP 50 H TRP 50 1.481 -6.900 -1.522 380 HA TRP 50 HA TRP 50 4.138 -7.419 -2.837 381 1HB TRP 50 1HB TRP 50 2.138 -5.178 -2.761 382 2HB TRP 50 2HB TRP 50 3.818 -4.691 -2.712 383 HD1 TRP 50 HD1 TRP 50 4.713 -4.089 -5.060 384 HE1 TRP 50 HE1 TRP 50 3.920 -4.496 -7.476 385 HE3 TRP 50 HE3 TRP 50 1.227 -7.726 -4.146 386 HZ2 TRP 50 HZ2 TRP 50 1.926 -6.048 -8.761 387 HZ3 TRP 50 HZ3 TRP 50 -0.207 -8.548 -5.978 388 HH2 TRP 50 HH2 TRP 50 0.039 -7.629 -8.236 389 H VAL 51 H VAL 51 6.044 -6.136 -1.876 390 HA VAL 51 HA VAL 51 5.731 -5.594 1.024 391 HB VAL 51 HB VAL 51 8.107 -6.937 -0.306 392 1HG1 VAL 51 1HG1 VAL 51 8.606 -5.654 1.757 393 2HG1 VAL 51 2HG1 VAL 51 7.379 -6.586 2.631 394 3HG1 VAL 51 3HG1 VAL 51 8.845 -7.364 1.992 395 1HG2 VAL 51 1HG2 VAL 51 5.808 -8.249 1.197 396 2HG2 VAL 51 2HG2 VAL 51 6.296 -8.522 -0.494 397 3HG2 VAL 51 3HG2 VAL 51 7.317 -9.056 0.784 398 H VAL 52 H VAL 52 6.974 -3.737 1.756 399 HA VAL 52 HA VAL 52 8.149 -2.147 -0.456 400 HB VAL 52 HB VAL 52 6.263 -1.194 1.700 401 1HG1 VAL 52 1HG1 VAL 52 7.551 0.240 -0.649 402 2HG1 VAL 52 2HG1 VAL 52 6.264 0.930 0.368 403 3HG1 VAL 52 3HG1 VAL 52 7.840 0.528 1.053 404 1HG2 VAL 52 1HG2 VAL 52 5.693 -1.691 -1.266 405 2HG2 VAL 52 2HG2 VAL 52 4.884 -2.436 0.108 406 3HG2 VAL 52 3HG2 VAL 52 4.658 -0.728 -0.216 407 H ASP 53 H ASP 53 10.317 -2.042 0.017 408 HA ASP 53 HA ASP 53 11.147 -1.831 2.836 409 1HB ASP 53 1HB ASP 53 12.469 -3.169 1.043 410 2HB ASP 53 2HB ASP 53 13.032 -1.616 0.470 411 H VAL 54 H VAL 54 11.296 0.125 3.684 412 HA VAL 54 HA VAL 54 11.934 2.490 2.103 413 HB VAL 54 HB VAL 54 9.881 3.562 3.512 414 1HG1 VAL 54 1HG1 VAL 54 9.562 2.191 0.850 415 2HG1 VAL 54 2HG1 VAL 54 8.468 3.403 1.531 416 3HG1 VAL 54 3HG1 VAL 54 10.130 3.850 1.170 417 1HG2 VAL 54 1HG2 VAL 54 8.877 0.719 3.000 418 2HG2 VAL 54 2HG2 VAL 54 9.144 1.508 4.563 419 3HG2 VAL 54 3HG2 VAL 54 7.905 2.092 3.443 420 H LYS 55 H LYS 55 13.614 1.148 3.591 421 HA LYS 55 HA LYS 55 14.274 3.110 5.655 422 1HB LYS 55 1HB LYS 55 12.802 1.244 6.692 423 2HB LYS 55 2HB LYS 55 14.211 0.213 6.568 424 1HG LYS 55 1HG LYS 55 14.368 2.959 7.872 425 2HG LYS 55 2HG LYS 55 13.681 1.607 8.748 426 1HD LYS 55 1HD LYS 55 15.630 0.695 9.207 427 2HD LYS 55 2HD LYS 55 16.246 0.811 7.562 428 1HE LYS 55 1HE LYS 55 17.037 3.028 7.854 429 2HE LYS 55 2HE LYS 55 16.108 3.268 9.347 430 1HZ LYS 55 1HZ LYS 55 18.263 1.261 9.146 431 2HZ LYS 55 2HZ LYS 55 18.549 2.787 9.618 432 3HZ LYS 55 3HZ LYS 55 17.524 1.812 10.499 433 H ASN 56 H ASN 56 15.098 0.073 3.888 434 HA ASN 56 HA ASN 56 17.947 0.410 4.651 435 1HB ASN 56 1HB ASN 56 16.214 -1.779 3.473 436 2HB ASN 56 2HB ASN 56 17.908 -1.753 3.101 437 2HD2 ASN 56 1HD2 ASN 56 15.592 -2.450 5.532 438 1HD2 ASN 56 2HD2 ASN 56 16.714 -2.864 6.805 439 H GLY 57 H GLY 57 19.432 1.288 3.242 440 1HA GLY 57 1HA GLY 57 20.262 2.297 1.390 441 2HA GLY 57 2HA GLY 57 19.244 1.235 0.387 442 H LYS 58 H LYS 58 18.497 2.814 -0.973 443 HA LYS 58 HA LYS 58 16.924 5.055 0.092 444 1HB LYS 58 2HB LYS 58 16.894 6.050 -1.942 445 2HB LYS 58 1HB LYS 58 17.047 4.546 -2.837 446 1HG LYS 58 1HG LYS 58 19.260 5.836 -1.251 447 2HG LYS 58 2HG LYS 58 19.410 4.335 -2.197 448 1HD LYS 58 2HD LYS 58 18.848 5.660 -4.267 449 2HD LYS 58 1HD LYS 58 20.408 6.048 -3.509 450 1HE LYS 58 1HE LYS 58 17.835 7.612 -3.110 451 2HE LYS 58 2HE LYS 58 19.377 7.999 -2.356 452 1HZ LYS 58 1HZ LYS 58 18.958 7.975 -5.292 453 2HZ LYS 58 2HZ LYS 58 18.771 9.292 -4.332 454 3HZ LYS 58 3HZ LYS 58 20.236 8.651 -4.448 455 H GLY 59 H GLY 59 16.114 1.842 0.068 456 1HA GLY 59 1HA GLY 59 14.071 0.989 0.294 457 2HA GLY 59 2HA GLY 59 13.346 2.550 -0.121 458 H SER 60 H SER 60 12.535 0.027 -1.029 459 HA SER 60 HA SER 60 11.927 0.681 -3.652 460 1HB SER 60 1HB SER 60 13.847 -1.651 -3.278 461 2HB SER 60 2HB SER 60 12.740 -1.643 -4.608 462 HG SER 60 HG SER 60 13.806 0.105 -5.533 463 H VAL 61 H VAL 61 10.137 -0.549 -4.349 464 HA VAL 61 HA VAL 61 8.813 -2.276 -2.378 465 HB VAL 61 HB VAL 61 8.113 -1.485 -5.194 466 1HG1 VAL 61 1HG1 VAL 61 6.303 -2.841 -3.159 467 2HG1 VAL 61 2HG1 VAL 61 5.788 -2.182 -4.721 468 3HG1 VAL 61 3HG1 VAL 61 6.907 -3.536 -4.690 469 1HG2 VAL 61 1HG2 VAL 61 8.000 0.477 -3.723 470 2HG2 VAL 61 2HG2 VAL 61 6.391 -0.020 -4.266 471 3HG2 VAL 61 3HG2 VAL 61 6.916 -0.407 -2.631 472 H LEU 62 H LEU 62 8.308 -4.384 -2.877 473 HA LEU 62 HA LEU 62 10.273 -5.932 -4.471 474 1HB LEU 62 1HB LEU 62 9.648 -5.889 -1.500 475 2HB LEU 62 2HB LEU 62 10.461 -7.241 -2.267 476 HG LEU 62 HG LEU 62 11.625 -4.518 -2.793 477 1HD1 LEU 62 1HD1 LEU 62 11.104 -4.400 -0.389 478 2HD1 LEU 62 2HD1 LEU 62 12.058 -5.870 -0.131 479 3HD1 LEU 62 3HD1 LEU 62 12.844 -4.422 -0.737 480 1HD2 LEU 62 1HD2 LEU 62 12.513 -6.606 -3.783 481 2HD2 LEU 62 2HD2 LEU 62 13.680 -5.742 -2.793 482 3HD2 LEU 62 3HD2 LEU 62 12.882 -7.193 -2.138 483 HA PRO 63 HA PRO 63 5.854 -7.099 -4.965 484 1HB PRO 63 1HB PRO 63 6.054 -8.342 -7.426 485 2HB PRO 63 2HB PRO 63 5.873 -6.578 -7.201 486 1HG PRO 63 2HG PRO 63 7.891 -6.627 -8.450 487 2HG PRO 63 1HG PRO 63 8.418 -8.148 -7.655 488 1HD PRO 63 1HD PRO 63 9.642 -6.623 -6.378 489 2HD PRO 63 2HD PRO 63 8.387 -5.346 -6.509 490 H ASN 64 H ASN 64 4.882 -8.980 -4.398 491 HA ASN 64 HA ASN 64 4.549 -11.012 -3.543 492 1HB ASN 64 2HB ASN 64 4.721 -12.668 -5.151 493 2HB ASN 64 1HB ASN 64 6.268 -12.082 -5.762 494 2HD2 ASN 64 1HD2 ASN 64 5.908 -11.714 -7.868 495 1HD2 ASN 64 2HD2 ASN 64 4.779 -10.551 -8.467 496 H SER 65 H SER 65 7.076 -9.714 -2.519 497 HA SER 65 HA SER 65 9.192 -11.566 -2.750 498 1HB SER 65 1HB SER 65 9.321 -9.114 -2.632 499 2HB SER 65 2HB SER 65 8.960 -9.191 -0.902 500 HG SER 65 HG SER 65 11.060 -9.192 -0.935 501 H ASP 66 H ASP 66 10.281 -12.729 -1.376 502 HA ASP 66 HA ASP 66 8.704 -14.248 0.563 503 1HB ASP 66 2HB ASP 66 10.124 -15.240 -1.362 504 2HB ASP 66 1HB ASP 66 10.016 -16.014 0.204 505 H LYS 67 H LYS 67 10.896 -11.664 0.691 506 HA LYS 67 HA LYS 67 12.412 -12.462 3.047 507 1HB LYS 67 2HB LYS 67 13.212 -10.240 3.164 508 2HB LYS 67 1HB LYS 67 11.850 -9.579 2.308 509 1HG LYS 67 1HG LYS 67 13.875 -11.519 1.104 510 2HG LYS 67 2HG LYS 67 12.599 -10.653 0.229 511 1HD LYS 67 1HD LYS 67 13.737 -8.474 0.890 512 2HD LYS 67 2HD LYS 67 15.071 -9.466 1.522 513 1HE LYS 67 1HE LYS 67 15.115 -10.608 -0.779 514 2HE LYS 67 2HE LYS 67 14.002 -9.363 -1.343 515 1HZ LYS 67 1HZ LYS 67 16.672 -8.838 -0.193 516 2HZ LYS 67 2HZ LYS 67 16.335 -8.928 -1.800 517 3HZ LYS 67 3HZ LYS 67 15.674 -7.715 -0.885 518 H LYS 68 H LYS 68 12.209 -11.283 5.208 519 HA LYS 68 HA LYS 68 9.415 -11.463 6.138 520 1HB LYS 68 1HB LYS 68 10.258 -11.211 8.355 521 2HB LYS 68 2HB LYS 68 11.158 -12.435 7.486 522 1HG LYS 68 1HG LYS 68 12.608 -9.985 7.127 523 2HG LYS 68 2HG LYS 68 12.090 -10.019 8.809 524 1HD LYS 68 1HD LYS 68 13.581 -12.242 7.366 525 2HD LYS 68 2HD LYS 68 14.347 -11.066 8.418 526 1HE LYS 68 1HE LYS 68 13.297 -11.981 10.359 527 2HE LYS 68 2HE LYS 68 12.123 -12.899 9.407 528 1HZ LYS 68 1HZ LYS 68 15.034 -13.440 9.387 529 2HZ LYS 68 2HZ LYS 68 13.925 -14.274 10.255 530 3HZ LYS 68 3HZ LYS 68 13.862 -14.286 8.595 531 H ALA 69 H ALA 69 9.381 -9.382 8.024 532 HA ALA 69 HA ALA 69 9.729 -6.868 6.629 533 1HB ALA 69 1HB ALA 69 7.470 -7.535 5.814 534 2HB ALA 69 2HB ALA 69 6.943 -7.760 7.503 535 3HB ALA 69 3HB ALA 69 7.391 -6.155 6.904 536 H ASP 70 H ASP 70 8.810 -5.088 8.328 537 HA ASP 70 HA ASP 70 9.622 -5.885 11.061 538 1HB ASP 70 1HB ASP 70 9.198 -3.337 9.645 539 2HB ASP 70 2HB ASP 70 8.179 -3.422 11.071 540 H CYS 71 H CYS 71 6.755 -4.912 9.148 541 HA CYS 71 HA CYS 71 5.014 -6.689 10.697 542 1HB CYS 71 1HB CYS 71 4.844 -3.651 10.706 543 2HB CYS 71 2HB CYS 71 3.401 -4.622 10.975 544 H THR 72 H THR 72 2.557 -5.769 9.741 545 HA THR 72 HA THR 72 2.756 -5.680 6.835 546 HB THR 72 HB THR 72 0.769 -7.575 8.106 547 HG1 THR 72 HG1 THR 72 2.134 -9.290 7.497 548 1HG2 THR 72 1HG2 THR 72 0.372 -6.910 5.697 549 2HG2 THR 72 2HG2 THR 72 1.938 -7.547 5.286 550 3HG2 THR 72 3HG2 THR 72 0.694 -8.634 5.896 551 H ILE 73 H ILE 73 0.256 -5.201 6.156 552 HA ILE 73 HA ILE 73 -1.233 -4.099 8.441 553 HB ILE 73 HB ILE 73 -0.064 -2.330 6.888 554 1HG1 ILE 73 1HG1 ILE 73 -2.990 -2.075 7.654 555 2HG1 ILE 73 2HG1 ILE 73 -1.606 -1.980 8.746 556 1HG2 ILE 73 1HG2 ILE 73 -0.930 -3.382 4.775 557 2HG2 ILE 73 2HG2 ILE 73 -2.549 -2.799 5.218 558 3HG2 ILE 73 3HG2 ILE 73 -1.241 -1.645 4.919 559 1HD1 ILE 73 1HD1 ILE 73 -0.694 -0.054 7.499 560 2HD1 ILE 73 2HD1 ILE 73 -2.130 -0.075 6.436 561 3HD1 ILE 73 3HD1 ILE 73 -2.305 0.256 8.167 562 H THR 74 H THR 74 -3.755 -3.978 7.580 563 HA THR 74 HA THR 74 -4.095 -5.969 5.439 564 HB THR 74 HB THR 74 -5.864 -5.747 7.898 565 HG1 THR 74 HG1 THR 74 -4.339 -7.998 7.124 566 1HG2 THR 74 1HG2 THR 74 -5.885 -7.548 5.426 567 2HG2 THR 74 2HG2 THR 74 -6.744 -7.960 6.917 568 3HG2 THR 74 3HG2 THR 74 -7.189 -6.499 6.033 569 H MET 75 H MET 75 -6.098 -5.470 4.189 570 HA MET 75 HA MET 75 -7.741 -3.338 5.050 571 1HB MET 75 1HB MET 75 -5.686 -2.403 3.399 572 2HB MET 75 2HB MET 75 -7.004 -2.645 2.286 573 1HG MET 75 1HG MET 75 -7.881 -0.688 2.890 574 2HG MET 75 2HG MET 75 -8.054 -1.238 4.535 575 1HE MET 75 1HE MET 75 -6.082 0.702 1.885 576 2HE MET 75 2HE MET 75 -4.611 1.238 2.725 577 3HE MET 75 3HE MET 75 -4.813 -0.479 2.295 578 H ALA 76 H ALA 76 -6.829 -5.161 2.163 579 HA ALA 76 HA ALA 76 -7.903 -7.102 1.235 580 1HB ALA 76 1HB ALA 76 -9.960 -7.070 2.688 581 2HB ALA 76 3HB ALA 76 -10.320 -7.184 0.953 582 3HB ALA 76 2HB ALA 76 -10.516 -5.644 1.770 583 H ASP 77 H ASP 77 -8.892 -7.055 -0.986 584 HA ASP 77 HA ASP 77 -7.504 -5.111 -2.483 585 1HB ASP 77 1HB ASP 77 -8.256 -7.356 -3.211 586 2HB ASP 77 2HB ASP 77 -9.872 -6.753 -3.471 587 H SER 78 H SER 78 -10.941 -5.540 -2.130 588 HA SER 78 HA SER 78 -11.768 -3.319 -3.667 589 1HB SER 78 1HB SER 78 -13.172 -5.247 -2.450 590 2HB SER 78 2HB SER 78 -13.402 -4.006 -1.215 591 HG SER 78 HG SER 78 -14.244 -4.152 -3.878 592 H ASP 79 H ASP 79 -10.812 -3.527 -0.299 593 HA ASP 79 HA ASP 79 -11.289 -0.851 0.509 594 1HB ASP 79 1HB ASP 79 -10.137 -3.308 1.538 595 2HB ASP 79 2HB ASP 79 -9.024 -2.013 1.836 596 H PHE 80 H PHE 80 -8.201 -2.372 -0.574 597 HA PHE 80 HA PHE 80 -6.614 0.024 -0.530 598 1HB PHE 80 1HB PHE 80 -6.400 -2.619 -2.003 599 2HB PHE 80 2HB PHE 80 -5.409 -1.282 -2.545 600 HD1 PHE 80 HD1 PHE 80 -6.150 -3.299 0.475 601 HD2 PHE 80 HD2 PHE 80 -3.285 -0.887 -1.571 602 HE1 PHE 80 HE1 PHE 80 -4.498 -3.960 2.115 603 HE2 PHE 80 HE2 PHE 80 -1.551 -1.574 0.040 604 HZ PHE 80 HZ PHE 80 -2.108 -3.163 1.923 605 H LEU 81 H LEU 81 -8.327 -1.542 -3.263 606 HA LEU 81 HA LEU 81 -7.873 0.440 -5.177 607 1HB LEU 81 1HB LEU 81 -9.459 -2.050 -4.821 608 2HB LEU 81 2HB LEU 81 -10.352 -0.887 -5.680 609 HG LEU 81 HG LEU 81 -9.126 -2.378 -7.156 610 1HD1 LEU 81 1HD1 LEU 81 -9.492 -0.036 -7.954 611 2HD1 LEU 81 2HD1 LEU 81 -7.858 0.380 -7.415 612 3HD1 LEU 81 3HD1 LEU 81 -8.088 -0.841 -8.678 613 1HD2 LEU 81 1HD2 LEU 81 -7.339 -2.896 -5.609 614 2HD2 LEU 81 2HD2 LEU 81 -6.655 -2.372 -7.174 615 3HD2 LEU 81 3HD2 LEU 81 -6.650 -1.283 -5.774 616 H ALA 82 H ALA 82 -10.341 0.328 -2.693 617 HA ALA 82 HA ALA 82 -11.798 2.612 -3.860 618 1HB ALA 82 2HB ALA 82 -13.025 2.769 -1.708 619 2HB ALA 82 3HB ALA 82 -13.138 1.162 -2.445 620 3HB ALA 82 1HB ALA 82 -12.046 1.439 -1.067 621 H LEU 83 H LEU 83 -9.093 2.154 -1.691 622 HA LEU 83 HA LEU 83 -9.128 4.802 -0.586 623 1HB LEU 83 1HB LEU 83 -7.915 2.704 0.282 624 2HB LEU 83 2HB LEU 83 -6.647 3.041 -0.868 625 HG LEU 83 HG LEU 83 -7.588 5.075 1.203 626 1HD1 LEU 83 1HD1 LEU 83 -6.776 3.020 2.297 627 2HD1 LEU 83 2HD1 LEU 83 -5.271 3.101 1.341 628 3HD1 LEU 83 3HD1 LEU 83 -5.645 4.364 2.534 629 1HD2 LEU 83 1HD2 LEU 83 -5.050 4.893 -0.497 630 2HD2 LEU 83 2HD2 LEU 83 -6.297 6.155 -0.583 631 3HD2 LEU 83 3HD2 LEU 83 -5.285 6.022 0.848 632 H MET 84 H MET 84 -6.823 3.389 -2.925 633 HA MET 84 HA MET 84 -5.844 6.028 -3.670 634 1HB MET 84 1HB MET 84 -4.197 4.802 -4.883 635 2HB MET 84 2HB MET 84 -4.343 4.216 -3.238 636 1HG MET 84 1HG MET 84 -5.355 2.172 -4.008 637 2HG MET 84 2HG MET 84 -5.613 2.822 -5.611 638 1HE MET 84 1HE MET 84 -2.265 3.310 -3.442 639 2HE MET 84 2HE MET 84 -2.260 1.528 -3.278 640 3HE MET 84 3HE MET 84 -1.141 2.326 -4.386 641 H THR 85 H THR 85 -8.306 6.130 -4.317 642 HA THR 85 HA THR 85 -8.441 6.627 -7.213 643 HB THR 85 HB THR 85 -10.800 5.549 -7.088 644 HG1 THR 85 HG1 THR 85 -10.398 3.657 -5.465 645 1HG2 THR 85 1HG2 THR 85 -8.912 4.515 -8.336 646 2HG2 THR 85 2HG2 THR 85 -8.499 3.578 -6.877 647 3HG2 THR 85 3HG2 THR 85 -10.062 3.345 -7.660 648 H GLY 86 H GLY 86 -9.233 7.317 -3.883 649 1HA GLY 86 1HA GLY 86 -10.532 8.940 -2.894 650 2HA GLY 86 2HA GLY 86 -10.801 9.677 -4.481 651 H LYS 87 H LYS 87 -11.503 6.206 -3.610 652 HA LYS 87 HA LYS 87 -14.391 6.806 -4.060 653 1HB LYS 87 1HB LYS 87 -13.042 4.921 -5.384 654 2HB LYS 87 2HB LYS 87 -13.318 4.035 -3.885 655 1HG LYS 87 1HG LYS 87 -15.809 4.578 -4.135 656 2HG LYS 87 2HG LYS 87 -15.421 5.307 -5.684 657 1HD LYS 87 2HD LYS 87 -14.640 3.099 -6.520 658 2HD LYS 87 1HD LYS 87 -16.327 3.084 -5.975 659 1HE LYS 87 1HE LYS 87 -13.887 2.002 -4.532 660 2HE LYS 87 2HE LYS 87 -15.449 2.221 -3.722 661 1HZ LYS 87 1HZ LYS 87 -15.326 0.663 -6.197 662 2HZ LYS 87 2HZ LYS 87 -14.861 -0.025 -4.765 663 3HZ LYS 87 3HZ LYS 87 -16.378 0.523 -4.940 664 H MET 88 H MET 88 -12.765 7.401 -1.613 665 HA MET 88 HA MET 88 -12.932 7.408 0.575 666 1HB MET 88 1HB MET 88 -15.497 7.306 -0.501 667 2HB MET 88 2HB MET 88 -15.586 6.107 0.762 668 1HG MET 88 1HG MET 88 -14.311 8.751 1.461 669 2HG MET 88 2HG MET 88 -15.990 8.759 1.005 670 1HE MET 88 1HE MET 88 -16.309 9.945 3.323 671 2HE MET 88 2HE MET 88 -17.694 8.922 2.890 672 3HE MET 88 3HE MET 88 -17.080 8.926 4.558 673 H ASN 89 H ASN 89 -11.344 6.106 1.404 674 HA ASN 89 HA ASN 89 -12.414 3.670 2.593 675 1HB ASN 89 1HB ASN 89 -11.154 3.009 0.440 676 2HB ASN 89 2HB ASN 89 -9.694 3.434 1.336 677 2HD2 ASN 89 1HD2 ASN 89 -12.751 1.555 1.611 678 1HD2 ASN 89 2HD2 ASN 89 -12.033 0.225 2.500 679 HA PRO 90 HA PRO 90 -9.970 6.325 5.526 680 1HB PRO 90 1HB PRO 90 -11.991 6.777 7.334 681 2HB PRO 90 2HB PRO 90 -11.767 7.745 5.852 682 1HG PRO 90 2HG PRO 90 -14.053 6.919 5.603 683 2HG PRO 90 1HG PRO 90 -13.562 5.294 6.167 684 1HD PRO 90 1HD PRO 90 -13.470 5.127 3.793 685 2HD PRO 90 2HD PRO 90 -12.758 6.751 3.635 686 H GLN 91 H GLN 91 -8.979 4.102 5.585 687 HA GLN 91 HA GLN 91 -8.175 2.378 6.780 688 1HB GLN 91 1HB GLN 91 -7.898 4.438 8.218 689 2HB GLN 91 2HB GLN 91 -9.247 3.852 9.202 690 1HG GLN 91 1HG GLN 91 -7.980 1.951 9.940 691 2HG GLN 91 2HG GLN 91 -6.768 2.184 8.675 692 2HE2 GLN 91 1HE2 GLN 91 -4.936 3.111 9.388 693 1HE2 GLN 91 2HE2 GLN 91 -4.802 4.364 10.598 694 H SER 92 H SER 92 -10.724 1.907 5.718 695 HA SER 92 HA SER 92 -12.579 0.569 7.299 696 1HB SER 92 1HB SER 92 -12.849 1.240 4.993 697 2HB SER 92 2HB SER 92 -11.575 0.181 4.472 698 HG SER 92 HG SER 92 -12.903 -1.290 4.246 699 H ALA 93 H ALA 93 -9.248 -0.440 6.664 700 HA ALA 93 HA ALA 93 -9.319 -3.176 7.017 701 1HB ALA 93 1HB ALA 93 -7.354 -1.662 6.435 702 2HB ALA 93 3HB ALA 93 -7.013 -2.781 7.748 703 3HB ALA 93 2HB ALA 93 -7.366 -1.058 8.072 704 H PHE 94 H PHE 94 -9.925 -0.577 9.324 705 HA PHE 94 HA PHE 94 -9.998 -2.390 11.664 706 1HB PHE 94 1HB PHE 94 -9.241 -0.092 12.062 707 2HB PHE 94 2HB PHE 94 -10.634 0.561 11.229 708 HD1 PHE 94 HD1 PHE 94 -10.243 -2.050 13.956 709 HD2 PHE 94 HD2 PHE 94 -12.023 1.698 12.732 710 HE1 PHE 94 HE1 PHE 94 -11.430 -1.897 16.119 711 HE2 PHE 94 HE2 PHE 94 -13.228 1.816 14.880 712 HZ PHE 94 HZ PHE 94 -12.947 0.019 16.579 713 H PHE 95 H PHE 95 -12.254 -0.148 10.013 714 HA PHE 95 HA PHE 95 -14.481 -0.712 11.403 715 1HB PHE 95 1HB PHE 95 -13.996 1.046 9.586 716 2HB PHE 95 2HB PHE 95 -14.586 -0.127 8.428 717 HD1 PHE 95 HD1 PHE 95 -17.075 -1.191 9.188 718 HD2 PHE 95 HD2 PHE 95 -15.462 2.664 10.285 719 HE1 PHE 95 HE1 PHE 95 -19.356 -0.346 9.604 720 HE2 PHE 95 HE2 PHE 95 -17.748 3.532 10.563 721 HZ PHE 95 HZ PHE 95 -19.703 2.023 10.274 722 H GLN 96 H GLN 96 -13.642 -2.358 8.296 723 HA GLN 96 HA GLN 96 -16.068 -3.834 8.201 724 1HB GLN 96 1HB GLN 96 -13.391 -3.957 6.783 725 2HB GLN 96 2HB GLN 96 -14.529 -5.274 6.575 726 1HG GLN 96 1HG GLN 96 -16.261 -3.307 6.096 727 2HG GLN 96 2HG GLN 96 -14.788 -2.474 5.634 728 2HE2 GLN 96 1HE2 GLN 96 -13.256 -4.171 4.273 729 1HE2 GLN 96 2HE2 GLN 96 -14.143 -4.822 2.898 730 H GLY 97 H GLY 97 -13.472 -4.375 10.346 731 1HA GLY 97 1HA GLY 97 -13.130 -6.224 11.754 732 2HA GLY 97 2HA GLY 97 -14.400 -7.106 10.921 733 H LYS 98 H LYS 98 -11.747 -5.577 9.028 734 HA LYS 98 HA LYS 98 -10.722 -8.252 8.399 735 1HB LYS 98 1HB LYS 98 -10.269 -5.473 7.267 736 2HB LYS 98 2HB LYS 98 -9.450 -6.917 6.665 737 1HG LYS 98 1HG LYS 98 -12.508 -6.776 6.818 738 2HG LYS 98 2HG LYS 98 -11.597 -6.109 5.504 739 1HD LYS 98 1HD LYS 98 -10.496 -8.404 5.205 740 2HD LYS 98 2HD LYS 98 -11.706 -9.031 6.318 741 1HE LYS 98 1HE LYS 98 -12.268 -7.570 3.683 742 2HE LYS 98 2HE LYS 98 -12.267 -9.325 3.903 743 1HZ LYS 98 1HZ LYS 98 -14.121 -8.997 5.515 744 2HZ LYS 98 2HZ LYS 98 -14.241 -7.434 4.994 745 3HZ LYS 98 3HZ LYS 98 -14.436 -8.714 3.967 746 H LEU 99 H LEU 99 -9.951 -5.953 10.778 747 HA LEU 99 HA LEU 99 -8.290 -5.633 12.160 748 1HB LEU 99 1HB LEU 99 -8.719 -7.983 12.661 749 2HB LEU 99 2HB LEU 99 -7.516 -8.482 11.472 750 HG LEU 99 HG LEU 99 -5.713 -7.460 12.816 751 1HD1 LEU 99 1HD1 LEU 99 -7.966 -6.627 14.707 752 2HD1 LEU 99 2HD1 LEU 99 -6.233 -6.620 15.119 753 3HD1 LEU 99 3HD1 LEU 99 -6.824 -5.560 13.852 754 1HD2 LEU 99 1HD2 LEU 99 -7.594 -9.217 14.456 755 2HD2 LEU 99 2HD2 LEU 99 -6.388 -9.779 13.281 756 3HD2 LEU 99 3HD2 LEU 99 -5.862 -8.963 14.761 757 H LYS 100 H LYS 100 -7.401 -3.958 10.862 758 HA LYS 100 HA LYS 100 -5.109 -4.247 9.241 759 1HB LYS 100 2HB LYS 100 -6.657 -2.248 9.788 760 2HB LYS 100 1HB LYS 100 -5.063 -1.864 9.268 761 1HG LYS 100 1HG LYS 100 -4.527 -1.461 11.730 762 2HG LYS 100 2HG LYS 100 -5.728 -0.395 11.058 763 1HD LYS 100 1HD LYS 100 -7.533 -1.490 12.234 764 2HD LYS 100 2HD LYS 100 -6.498 -2.827 12.753 765 1HE LYS 100 1HE LYS 100 -5.138 -1.432 14.105 766 2HE LYS 100 2HE LYS 100 -5.872 0.052 13.497 767 1HZ LYS 100 1HZ LYS 100 -7.479 -1.942 14.930 768 2HZ LYS 100 2HZ LYS 100 -6.591 -0.841 15.755 769 3HZ LYS 100 3HZ LYS 100 -7.763 -0.322 14.738 770 H ILE 101 H ILE 101 -2.891 -3.259 10.047 771 HA ILE 101 HA ILE 101 -2.176 -4.072 12.776 772 HB ILE 101 HB ILE 101 -1.005 -5.240 10.233 773 1HG1 ILE 101 1HG1 ILE 101 -2.950 -6.457 11.063 774 2HG1 ILE 101 2HG1 ILE 101 -1.486 -7.393 11.125 775 1HG2 ILE 101 1HG2 ILE 101 0.241 -5.447 12.981 776 2HG2 ILE 101 2HG2 ILE 101 0.621 -6.504 11.609 777 3HG2 ILE 101 3HG2 ILE 101 0.972 -4.796 11.504 778 1HD1 ILE 101 1HD1 ILE 101 -2.758 -6.076 13.557 779 2HD1 ILE 101 2HD1 ILE 101 -2.886 -7.781 13.098 780 3HD1 ILE 101 3HD1 ILE 101 -1.314 -7.106 13.555 781 H THR 102 H THR 102 0.567 -3.347 12.609 782 HA THR 102 HA THR 102 0.258 -0.438 12.170 783 HB THR 102 HB THR 102 2.380 -0.467 13.624 784 HG1 THR 102 HG1 THR 102 2.287 -2.555 14.949 785 1HG2 THR 102 1HG2 THR 102 -0.233 -1.508 14.777 786 2HG2 THR 102 2HG2 THR 102 1.100 -0.780 15.714 787 3HG2 THR 102 3HG2 THR 102 0.217 0.185 14.525 788 H GLY 103 H GLY 103 1.977 0.718 11.169 789 1HA GLY 103 1HA GLY 103 4.229 -0.665 9.999 790 2HA GLY 103 2HA GLY 103 3.054 -0.246 8.758 791 H ASN 104 H ASN 104 2.657 2.201 10.918 792 HA ASN 104 HA ASN 104 5.071 3.402 11.226 793 1HB ASN 104 1HB ASN 104 5.147 4.151 8.906 794 2HB ASN 104 2HB ASN 104 3.497 4.763 9.002 795 2HD2 ASN 104 1HD2 ASN 104 6.857 5.334 10.079 796 1HD2 ASN 104 2HD2 ASN 104 6.563 6.959 10.666 797 H MET 105 H MET 105 2.319 5.536 10.499 798 HA MET 105 HA MET 105 1.230 5.240 13.238 799 1HB MET 105 1HB MET 105 3.261 6.701 13.219 800 2HB MET 105 2HB MET 105 2.448 7.824 12.151 801 1HG MET 105 1HG MET 105 0.780 8.329 13.834 802 2HG MET 105 2HG MET 105 1.309 6.981 14.844 803 1HE MET 105 1HE MET 105 3.282 6.884 16.333 804 2HE MET 105 2HE MET 105 4.433 7.033 14.988 805 3HE MET 105 3HE MET 105 4.598 8.060 16.414 806 H GLY 106 H GLY 106 0.643 8.242 11.533 807 1HA GLY 106 1HA GLY 106 -2.157 7.508 11.012 808 2HA GLY 106 2HA GLY 106 -1.420 9.109 10.935 809 H LEU 107 H LEU 107 -0.581 6.009 9.406 810 HA LEU 107 HA LEU 107 0.088 7.363 6.946 811 1HB LEU 107 1HB LEU 107 0.863 5.348 6.109 812 2HB LEU 107 2HB LEU 107 1.371 5.455 7.773 813 HG LEU 107 HG LEU 107 -1.155 3.942 7.562 814 1HD1 LEU 107 1HD1 LEU 107 1.249 2.926 5.988 815 2HD1 LEU 107 2HD1 LEU 107 -0.220 1.995 6.355 816 3HD1 LEU 107 3HD1 LEU 107 -0.314 3.421 5.298 817 1HD2 LEU 107 1HD2 LEU 107 1.669 3.212 8.441 818 2HD2 LEU 107 2HD2 LEU 107 0.361 3.771 9.504 819 3HD2 LEU 107 3HD2 LEU 107 0.240 2.193 8.702 820 H ALA 108 H ALA 108 -2.916 6.216 8.179 821 HA ALA 108 HA ALA 108 -4.279 5.726 5.711 822 1HB ALA 108 1HB ALA 108 -5.281 6.858 8.341 823 2HB ALA 108 2HB ALA 108 -6.303 6.345 6.985 824 3HB ALA 108 3HB ALA 108 -5.288 5.158 7.819 825 H MET 109 H MET 109 -3.077 8.730 7.141 826 HA MET 109 HA MET 109 -4.964 10.338 5.589 827 1HB MET 109 2HB MET 109 -4.186 12.165 6.990 828 2HB MET 109 1HB MET 109 -2.924 11.161 7.691 829 1HG MET 109 1HG MET 109 -5.169 11.518 8.979 830 2HG MET 109 2HG MET 109 -5.852 10.367 7.847 831 1HE MET 109 1HE MET 109 -6.200 9.880 10.806 832 2HE MET 109 2HE MET 109 -6.625 8.608 9.641 833 3HE MET 109 3HE MET 109 -5.658 8.207 11.083 834 H LYS 110 H LYS 110 -1.369 9.746 5.480 835 HA LYS 110 HA LYS 110 -0.984 11.877 3.566 836 1HB LYS 110 1HB LYS 110 0.699 9.778 4.935 837 2HB LYS 110 2HB LYS 110 1.272 10.520 3.457 838 1HG LYS 110 1HG LYS 110 0.707 12.780 4.617 839 2HG LYS 110 2HG LYS 110 0.688 11.808 6.094 840 1HD LYS 110 1HD LYS 110 3.076 11.028 5.350 841 2HD LYS 110 2HD LYS 110 2.974 12.314 4.149 842 1HE LYS 110 2HE LYS 110 2.365 13.877 6.135 843 2HE LYS 110 1HE LYS 110 4.049 13.377 5.978 844 1HZ LYS 110 1HZ LYS 110 2.169 11.894 7.700 845 2HZ LYS 110 2HZ LYS 110 3.790 11.793 7.655 846 3HZ LYS 110 3HZ LYS 110 3.105 13.161 8.253 847 H LEU 111 H LEU 111 -3.138 10.303 2.583 848 HA LEU 111 HA LEU 111 -2.098 8.284 0.791 849 1HB LEU 111 1HB LEU 111 -4.232 8.135 -0.207 850 2HB LEU 111 2HB LEU 111 -4.389 8.128 1.537 851 HG LEU 111 HG LEU 111 -4.973 10.570 -0.200 852 1HD1 LEU 111 1HD1 LEU 111 -6.862 8.446 0.896 853 2HD1 LEU 111 2HD1 LEU 111 -7.345 9.948 0.060 854 3HD1 LEU 111 3HD1 LEU 111 -6.429 8.709 -0.816 855 1HD2 LEU 111 1HD2 LEU 111 -5.516 9.911 2.727 856 2HD2 LEU 111 2HD2 LEU 111 -4.683 11.332 2.027 857 3HD2 LEU 111 3HD2 LEU 111 -6.407 11.167 1.839 858 H GLN 112 H GLN 112 -2.056 11.642 0.574 859 HA GLN 112 HA GLN 112 -2.678 12.532 -1.773 860 1HB GLN 112 1HB GLN 112 0.057 13.397 -0.930 861 2HB GLN 112 2HB GLN 112 -1.286 14.343 -1.524 862 1HG GLN 112 1HG GLN 112 -1.045 13.086 1.274 863 2HG GLN 112 2HG GLN 112 -0.668 14.751 0.852 864 2HE2 GLN 112 1HE2 GLN 112 -3.087 13.157 2.466 865 1HE2 GLN 112 2HE2 GLN 112 -4.417 14.094 1.887 866 H ASN 113 H ASN 113 0.810 11.656 -1.726 867 HA ASN 113 HA ASN 113 0.639 11.207 -4.671 868 1HB ASN 113 1HB ASN 113 2.957 11.848 -2.794 869 2HB ASN 113 2HB ASN 113 3.183 11.296 -4.451 870 2HD2 ASN 113 1HD2 ASN 113 2.054 12.597 -6.245 871 1HD2 ASN 113 2HD2 ASN 113 1.939 14.317 -6.003 872 H LEU 114 H LEU 114 1.914 9.763 -1.661 873 HA LEU 114 HA LEU 114 3.065 7.504 -2.907 874 1HB LEU 114 1HB LEU 114 3.433 8.456 -0.601 875 2HB LEU 114 2HB LEU 114 1.986 7.601 -0.065 876 HG LEU 114 HG LEU 114 4.062 5.943 -1.466 877 1HD1 LEU 114 1HD1 LEU 114 5.414 7.562 -0.057 878 2HD1 LEU 114 2HD1 LEU 114 4.588 6.927 1.376 879 3HD1 LEU 114 3HD1 LEU 114 5.606 5.870 0.365 880 1HD2 LEU 114 1HD2 LEU 114 2.564 5.531 1.164 881 2HD2 LEU 114 2HD2 LEU 114 2.144 4.802 -0.398 882 3HD2 LEU 114 3HD2 LEU 114 3.653 4.357 0.405 883 H GLN 115 H GLN 115 -0.332 8.140 -2.432 884 HA GLN 115 HA GLN 115 -0.854 5.360 -3.295 885 1HB GLN 115 1HB GLN 115 -2.356 6.859 -1.126 886 2HB GLN 115 2HB GLN 115 -2.957 5.397 -1.904 887 1HG GLN 115 1HG GLN 115 -1.112 4.074 -1.094 888 2HG GLN 115 2HG GLN 115 -0.288 5.496 -0.457 889 2HE2 GLN 115 1HE2 GLN 115 -2.209 2.933 0.517 890 1HE2 GLN 115 2HE2 GLN 115 -2.777 3.651 2.026 891 H LEU 116 H LEU 116 -0.336 7.392 -4.980 892 HA LEU 116 HA LEU 116 -0.902 8.575 -6.669 893 1HB LEU 116 1HB LEU 116 -2.501 7.242 -8.261 894 2HB LEU 116 2HB LEU 116 -0.866 6.725 -7.905 895 HG LEU 116 HG LEU 116 -3.180 5.750 -6.322 896 1HD1 LEU 116 1HD1 LEU 116 -3.835 5.220 -8.576 897 2HD1 LEU 116 2HD1 LEU 116 -2.294 4.370 -8.862 898 3HD1 LEU 116 3HD1 LEU 116 -3.452 3.750 -7.684 899 1HD2 LEU 116 1HD2 LEU 116 -0.345 5.191 -6.312 900 2HD2 LEU 116 2HD2 LEU 116 -1.597 4.562 -5.260 901 3HD2 LEU 116 3HD2 LEU 116 -1.197 3.697 -6.744 902 H GLN 117 H GLN 117 -2.375 9.625 -8.193 903 HA GLN 117 HA GLN 117 -4.001 11.246 -6.479 904 1HB GLN 117 2HB GLN 117 -3.872 12.925 -8.022 905 2HB GLN 117 1HB GLN 117 -3.721 11.810 -9.363 906 1HG GLN 117 1HG GLN 117 -1.293 11.300 -8.324 907 2HG GLN 117 2HG GLN 117 -1.639 12.630 -9.409 908 2HE2 GLN 117 1HE2 GLN 117 -1.317 11.961 -5.742 909 1HE2 GLN 117 2HE2 GLN 117 -0.802 13.607 -5.550 910 HA PRO 118 HA PRO 118 -7.687 9.152 -7.251 911 1HB PRO 118 1HB PRO 118 -9.574 10.885 -6.267 912 2HB PRO 118 2HB PRO 118 -8.279 10.187 -5.247 913 1HG PRO 118 1HG PRO 118 -8.268 12.887 -6.649 914 2HG PRO 118 2HG PRO 118 -7.977 12.539 -4.903 915 1HD PRO 118 1HD PRO 118 -5.918 12.782 -6.656 916 2HD PRO 118 2HD PRO 118 -5.885 11.543 -5.357 917 H GLY 119 H GLY 119 -10.081 9.568 -8.040 918 1HA GLY 119 1HA GLY 119 -11.594 10.528 -9.599 919 2HA GLY 119 2HA GLY 119 -10.241 11.199 -10.527 920 H ASN 120 H ASN 120 -12.445 9.435 -11.449 921 HA ASN 120 HA ASN 120 -13.000 7.573 -12.479 922 1HB ASN 120 1HB ASN 120 -10.479 8.030 -13.562 923 2HB ASN 120 2HB ASN 120 -10.406 6.343 -13.093 924 2HD2 ASN 120 1HD2 ASN 120 -11.672 4.784 -14.427 925 1HD2 ASN 120 2HD2 ASN 120 -12.705 5.422 -15.704 926 H ALA 121 H ALA 121 -13.979 6.687 -10.775 927 HA ALA 121 HA ALA 121 -12.700 5.678 -8.438 928 1HB ALA 121 1HB ALA 121 -15.529 5.307 -9.543 929 2HB ALA 121 3HB ALA 121 -14.979 6.577 -8.431 930 3HB ALA 121 2HB ALA 121 -15.009 4.882 -7.907 931 H LYS 122 H LYS 122 -14.558 3.935 -10.914 932 HA LYS 122 HA LYS 122 -12.442 2.313 -11.689 933 1HB LYS 122 1HB LYS 122 -13.047 0.843 -9.701 934 2HB LYS 122 2HB LYS 122 -14.664 0.674 -10.366 935 1HG LYS 122 1HG LYS 122 -13.175 -0.036 -12.573 936 2HG LYS 122 2HG LYS 122 -12.054 -0.470 -11.298 937 1HD LYS 122 2HD LYS 122 -13.908 -1.893 -10.279 938 2HD LYS 122 1HD LYS 122 -13.281 -2.423 -11.847 939 1HE LYS 122 1HE LYS 122 -15.868 -0.858 -11.417 940 2HE LYS 122 2HE LYS 122 -15.183 -1.270 -12.995 941 1HZ LYS 122 1HZ LYS 122 -16.010 -3.267 -10.969 942 2HZ LYS 122 2HZ LYS 122 -16.874 -2.843 -12.323 943 3HZ LYS 122 3HZ LYS 122 -15.433 -3.611 -12.447 944 H LEU 123 H LEU 123 -12.939 2.895 -13.747 945 HA LEU 123 HA LEU 123 -14.075 3.485 -15.589 946 1HB LEU 123 1HB LEU 123 -14.411 0.906 -15.467 947 2HB LEU 123 2HB LEU 123 -16.053 1.287 -14.946 948 HG LEU 123 HG LEU 123 -16.052 2.834 -17.136 949 1HD1 LEU 123 1HD1 LEU 123 -13.638 2.487 -17.623 950 2HD1 LEU 123 2HD1 LEU 123 -13.928 0.743 -17.816 951 3HD1 LEU 123 3HD1 LEU 123 -14.670 1.909 -18.932 952 1HD2 LEU 123 1HD2 LEU 123 -16.232 -0.206 -17.197 953 2HD2 LEU 123 2HD2 LEU 123 -17.534 0.929 -16.772 954 3HD2 LEU 123 3HD2 LEU 123 -16.890 0.909 -18.417 No H/Q in entry = 954 Start of MODEL 3 1 H SER 1 H SER 1 6.784 -20.300 -3.363 2 HA SER 1 HA SER 1 5.832 -20.817 -6.138 3 1HB SER 1 1HB SER 1 3.982 -22.104 -4.783 4 2HB SER 1 2HB SER 1 5.515 -22.856 -5.218 5 HG SER 1 HG SER 1 5.370 -23.355 -3.150 6 H SER 2 H SER 2 5.739 -18.486 -6.352 7 HA SER 2 HA SER 2 4.717 -16.723 -4.598 8 1HB SER 2 1HB SER 2 4.369 -16.497 -7.613 9 2HB SER 2 2HB SER 2 4.516 -15.173 -6.445 10 HG SER 2 HG SER 2 6.553 -15.305 -6.935 11 H ALA 3 H ALA 3 2.761 -18.039 -7.310 12 HA ALA 3 HA ALA 3 0.587 -17.697 -7.867 13 1HB ALA 3 3HB ALA 3 0.626 -19.892 -6.866 14 2HB ALA 3 1HB ALA 3 0.373 -19.206 -5.234 15 3HB ALA 3 2HB ALA 3 -0.904 -19.112 -6.471 16 H SER 4 H SER 4 1.092 -15.223 -7.327 17 HA SER 4 HA SER 4 -1.074 -14.187 -5.593 18 1HB SER 4 1HB SER 4 1.901 -13.525 -5.536 19 2HB SER 4 2HB SER 4 0.661 -12.591 -4.673 20 HG SER 4 HG SER 4 1.329 -15.314 -4.237 21 H ASP 5 H ASP 5 -0.120 -11.519 -5.977 22 HA ASP 5 HA ASP 5 -0.382 -9.746 -7.399 23 1HB ASP 5 1HB ASP 5 1.516 -9.442 -8.748 24 2HB ASP 5 2HB ASP 5 2.013 -10.453 -7.415 25 H GLY 6 H GLY 6 -2.190 -11.980 -8.277 26 1HA GLY 6 1HA GLY 6 -2.655 -11.263 -11.115 27 2HA GLY 6 2HA GLY 6 -3.226 -12.719 -10.290 28 H PHE 7 H PHE 7 -3.403 -9.225 -10.100 29 HA PHE 7 HA PHE 7 -6.308 -9.082 -9.672 30 1HB PHE 7 1HB PHE 7 -4.432 -7.738 -7.691 31 2HB PHE 7 2HB PHE 7 -6.167 -7.871 -7.593 32 HD1 PHE 7 HD1 PHE 7 -2.958 -9.731 -7.250 33 HD2 PHE 7 HD2 PHE 7 -7.145 -9.617 -6.282 34 HE1 PHE 7 HE1 PHE 7 -2.687 -11.736 -5.775 35 HE2 PHE 7 HE2 PHE 7 -6.821 -11.529 -4.712 36 HZ PHE 7 HZ PHE 7 -4.610 -12.602 -4.529 37 H LYS 8 H LYS 8 -6.882 -6.617 -9.560 38 HA LYS 8 HA LYS 8 -5.558 -5.184 -11.663 39 1HB LYS 8 1HB LYS 8 -8.010 -5.002 -10.667 40 2HB LYS 8 2HB LYS 8 -7.270 -3.854 -9.563 41 1HG LYS 8 1HG LYS 8 -8.111 -2.551 -11.302 42 2HG LYS 8 2HG LYS 8 -6.386 -2.612 -11.643 43 1HD LYS 8 1HD LYS 8 -6.710 -4.151 -13.472 44 2HD LYS 8 2HD LYS 8 -8.356 -4.533 -12.961 45 1HE LYS 8 1HE LYS 8 -8.960 -2.100 -13.397 46 2HE LYS 8 2HE LYS 8 -7.361 -1.907 -14.128 47 1HZ LYS 8 1HZ LYS 8 -8.032 -3.654 -15.741 48 2HZ LYS 8 2HZ LYS 8 -9.531 -3.713 -15.073 49 3HZ LYS 8 3HZ LYS 8 -9.037 -2.346 -15.765 50 H ALA 9 H ALA 9 -5.287 -5.260 -8.174 51 HA ALA 9 HA ALA 9 -3.942 -3.148 -7.306 52 1HB ALA 9 1HB ALA 9 -4.545 -5.150 -5.978 53 2HB ALA 9 3HB ALA 9 -2.881 -4.656 -5.670 54 3HB ALA 9 2HB ALA 9 -3.188 -6.045 -6.709 55 H ASN 10 H ASN 10 -2.460 -5.467 -9.472 56 HA ASN 10 HA ASN 10 0.274 -4.989 -8.967 57 1HB ASN 10 1HB ASN 10 -1.019 -6.629 -10.725 58 2HB ASN 10 2HB ASN 10 -0.556 -5.354 -11.839 59 2HD2 ASN 10 1HD2 ASN 10 0.465 -8.320 -10.652 60 1HD2 ASN 10 2HD2 ASN 10 2.173 -8.072 -10.736 61 H LEU 11 H LEU 11 -2.056 -3.269 -10.968 62 HA LEU 11 HA LEU 11 -0.306 -1.473 -12.320 63 1HB LEU 11 1HB LEU 11 -3.273 -1.271 -11.522 64 2HB LEU 11 2HB LEU 11 -2.450 -0.271 -12.676 65 HG LEU 11 HG LEU 11 -3.440 -2.998 -13.001 66 1HD1 LEU 11 1HD1 LEU 11 -3.180 -0.628 -14.872 67 2HD1 LEU 11 2HD1 LEU 11 -3.952 -2.174 -15.289 68 3HD1 LEU 11 3HD1 LEU 11 -4.634 -1.166 -14.021 69 1HD2 LEU 11 1HD2 LEU 11 -1.027 -2.038 -14.584 70 2HD2 LEU 11 2HD2 LEU 11 -1.073 -3.463 -13.530 71 3HD2 LEU 11 3HD2 LEU 11 -2.017 -3.443 -15.010 72 H VAL 12 H VAL 12 -2.064 -1.349 -9.239 73 HA VAL 12 HA VAL 12 -1.529 1.477 -8.777 74 HB VAL 12 HB VAL 12 -3.009 -0.749 -7.324 75 1HG1 VAL 12 1HG1 VAL 12 -2.592 2.107 -6.362 76 2HG1 VAL 12 2HG1 VAL 12 -3.836 0.992 -5.750 77 3HG1 VAL 12 3HG1 VAL 12 -2.139 0.602 -5.510 78 1HG2 VAL 12 1HG2 VAL 12 -3.850 1.872 -8.612 79 2HG2 VAL 12 2HG2 VAL 12 -4.157 0.240 -9.249 80 3HG2 VAL 12 3HG2 VAL 12 -4.939 0.774 -7.750 81 H PHE 13 H PHE 13 -0.530 -1.626 -7.126 82 HA PHE 13 HA PHE 13 1.166 -0.187 -5.299 83 1HB PHE 13 1HB PHE 13 1.302 -3.066 -6.215 84 2HB PHE 13 2HB PHE 13 2.244 -2.351 -4.911 85 HD1 PHE 13 HD1 PHE 13 0.533 -0.928 -3.161 86 HD2 PHE 13 HD2 PHE 13 -0.219 -4.592 -5.304 87 HE1 PHE 13 HE1 PHE 13 -1.157 -1.618 -1.442 88 HE2 PHE 13 HE2 PHE 13 -1.745 -5.336 -3.459 89 HZ PHE 13 HZ PHE 13 -2.281 -3.751 -1.611 90 H LYS 14 H LYS 14 1.601 -1.160 -8.670 91 HA LYS 14 HA LYS 14 4.461 -0.782 -8.646 92 1HB LYS 14 1HB LYS 14 3.076 -1.933 -10.317 93 2HB LYS 14 2HB LYS 14 2.574 -0.415 -11.005 94 1HG LYS 14 1HG LYS 14 4.804 0.173 -11.683 95 2HG LYS 14 2HG LYS 14 5.549 -1.029 -10.637 96 1HD LYS 14 1HD LYS 14 3.786 -1.760 -13.009 97 2HD LYS 14 2HD LYS 14 5.549 -1.591 -13.098 98 1HE LYS 14 1HE LYS 14 5.891 -3.362 -11.470 99 2HE LYS 14 2HE LYS 14 4.152 -3.452 -11.134 100 1HZ LYS 14 1HZ LYS 14 3.842 -4.208 -13.435 101 2HZ LYS 14 2HZ LYS 14 5.467 -4.217 -13.659 102 3HZ LYS 14 3HZ LYS 14 4.825 -5.225 -12.570 103 H GLU 15 H GLU 15 1.740 1.396 -9.359 104 HA GLU 15 HA GLU 15 3.345 3.652 -10.009 105 1HB GLU 15 1HB GLU 15 0.688 3.415 -8.563 106 2HB GLU 15 2HB GLU 15 1.477 4.968 -8.596 107 1HG GLU 15 1HG GLU 15 0.815 3.307 -11.042 108 2HG GLU 15 2HG GLU 15 -0.158 4.612 -10.401 109 H ILE 16 H ILE 16 2.669 2.392 -6.729 110 HA ILE 16 HA ILE 16 3.970 4.477 -5.294 111 HB ILE 16 HB ILE 16 3.591 1.513 -4.656 112 1HG1 ILE 16 1HG1 ILE 16 1.781 3.798 -3.801 113 2HG1 ILE 16 2HG1 ILE 16 1.430 2.794 -5.186 114 1HG2 ILE 16 1HG2 ILE 16 5.245 2.547 -3.221 115 2HG2 ILE 16 2HG2 ILE 16 4.117 3.858 -2.821 116 3HG2 ILE 16 3HG2 ILE 16 3.787 2.169 -2.312 117 1HD1 ILE 16 1HD1 ILE 16 1.903 0.917 -3.155 118 2HD1 ILE 16 2HD1 ILE 16 0.914 2.196 -2.416 119 3HD1 ILE 16 3HD1 ILE 16 0.363 1.383 -3.881 120 H GLU 17 H GLU 17 4.999 1.299 -6.556 121 HA GLU 17 HA GLU 17 7.726 1.413 -5.832 122 1HB GLU 17 1HB GLU 17 6.409 -0.626 -6.577 123 2HB GLU 17 2HB GLU 17 6.405 0.042 -8.160 124 1HG GLU 17 1HG GLU 17 8.988 0.006 -8.097 125 2HG GLU 17 2HG GLU 17 8.796 -1.078 -6.707 126 H LYS 18 H LYS 18 6.274 2.361 -8.966 127 HA LYS 18 HA LYS 18 8.542 3.132 -10.255 128 1HB LYS 18 1HB LYS 18 6.216 3.029 -11.173 129 2HB LYS 18 2HB LYS 18 5.777 4.443 -10.236 130 1HG LYS 18 1HG LYS 18 6.259 5.703 -11.967 131 2HG LYS 18 2HG LYS 18 7.972 5.360 -11.757 132 1HD LYS 18 1HD LYS 18 6.049 3.633 -13.370 133 2HD LYS 18 2HD LYS 18 6.952 4.954 -14.082 134 1HE LYS 18 1HE LYS 18 8.277 2.591 -12.665 135 2HE LYS 18 2HE LYS 18 7.927 2.635 -14.396 136 1HZ LYS 18 1HZ LYS 18 9.261 4.756 -14.432 137 2HZ LYS 18 2HZ LYS 18 9.860 4.296 -12.953 138 3HZ LYS 18 3HZ LYS 18 10.060 3.340 -14.257 139 H LYS 19 H LYS 19 6.539 5.158 -8.036 140 HA LYS 19 HA LYS 19 8.214 7.449 -8.182 141 1HB LYS 19 1HB LYS 19 5.801 6.562 -6.822 142 2HB LYS 19 2HB LYS 19 6.896 7.146 -5.609 143 1HG LYS 19 1HG LYS 19 5.408 8.913 -6.429 144 2HG LYS 19 2HG LYS 19 7.093 9.307 -6.796 145 1HD LYS 19 1HD LYS 19 6.810 8.950 -9.115 146 2HD LYS 19 2HD LYS 19 5.470 7.842 -8.875 147 1HE LYS 19 1HE LYS 19 4.416 9.682 -9.751 148 2HE LYS 19 2HE LYS 19 4.116 9.857 -8.009 149 1HZ LYS 19 1HZ LYS 19 6.040 11.434 -8.001 150 2HZ LYS 19 2HZ LYS 19 6.121 11.307 -9.643 151 3HZ LYS 19 3HZ LYS 19 4.786 11.932 -8.952 152 H LEU 20 H LEU 20 8.250 4.621 -5.916 153 HA LEU 20 HA LEU 20 10.366 5.608 -4.371 154 1HB LEU 20 1HB LEU 20 8.740 3.209 -4.534 155 2HB LEU 20 2HB LEU 20 10.403 2.773 -4.333 156 HG LEU 20 HG LEU 20 9.725 5.050 -2.563 157 1HD1 LEU 20 1HD1 LEU 20 7.476 4.177 -2.727 158 2HD1 LEU 20 2HD1 LEU 20 8.045 2.580 -2.182 159 3HD1 LEU 20 3HD1 LEU 20 8.161 3.990 -1.097 160 1HD2 LEU 20 1HD2 LEU 20 11.673 3.462 -2.403 161 2HD2 LEU 20 2HD2 LEU 20 10.808 3.780 -0.912 162 3HD2 LEU 20 3HD2 LEU 20 10.529 2.245 -1.775 163 H GLU 21 H GLU 21 10.417 3.746 -7.399 164 HA GLU 21 HA GLU 21 13.267 3.456 -7.388 165 1HB GLU 21 1HB GLU 21 11.381 3.412 -9.735 166 2HB GLU 21 2HB GLU 21 13.048 2.830 -9.727 167 1HG GLU 21 1HG GLU 21 10.854 1.659 -7.924 168 2HG GLU 21 2HG GLU 21 11.215 1.076 -9.521 169 H GLU 22 H GLU 22 11.076 5.932 -8.811 170 HA GLU 22 HA GLU 22 13.027 7.434 -10.189 171 1HB GLU 22 1HB GLU 22 10.455 8.434 -8.879 172 2HB GLU 22 2HB GLU 22 11.389 9.295 -10.092 173 1HG GLU 22 1HG GLU 22 10.649 6.691 -11.166 174 2HG GLU 22 2HG GLU 22 9.220 7.458 -10.442 175 H GLU 23 H GLU 23 11.736 7.857 -6.861 176 HA GLU 23 HA GLU 23 14.233 8.749 -5.910 177 1HB GLU 23 1HB GLU 23 13.154 10.867 -7.152 178 2HB GLU 23 2HB GLU 23 12.211 11.002 -5.663 179 1HG GLU 23 1HG GLU 23 14.367 10.700 -4.395 180 2HG GLU 23 2HG GLU 23 15.204 10.713 -5.955 181 H GLY 24 H GLY 24 13.221 6.693 -4.908 182 1HA GLY 24 1HA GLY 24 11.178 7.017 -2.954 183 2HA GLY 24 2HA GLY 24 12.250 5.629 -3.148 184 H GLU 25 H GLU 25 14.573 7.729 -2.748 185 HA GLU 25 HA GLU 25 15.226 7.016 -0.183 186 1HB GLU 25 1HB GLU 25 16.390 8.529 -2.156 187 2HB GLU 25 2HB GLU 25 16.055 9.761 -0.933 188 1HG GLU 25 1HG GLU 25 17.154 7.957 0.699 189 2HG GLU 25 2HG GLU 25 17.841 7.332 -0.812 190 H GLN 26 H GLN 26 13.372 9.896 -1.201 191 HA GLN 26 HA GLN 26 13.127 10.923 1.496 192 1HB GLN 26 1HB GLN 26 13.192 12.081 -0.857 193 2HB GLN 26 2HB GLN 26 11.519 11.617 -1.058 194 1HG GLN 26 1HG GLN 26 12.123 13.034 1.488 195 2HG GLN 26 2HG GLN 26 12.451 13.969 0.027 196 2HE2 GLN 26 1HE2 GLN 26 9.828 12.105 1.639 197 1HE2 GLN 26 2HE2 GLN 26 8.506 13.098 0.995 198 H PHE 27 H PHE 27 11.382 8.552 -0.348 199 HA PHE 27 HA PHE 27 8.933 8.900 1.260 200 1HB PHE 27 1HB PHE 27 9.796 7.590 -1.317 201 2HB PHE 27 2HB PHE 27 8.654 6.680 -0.376 202 HD1 PHE 27 HD1 PHE 27 7.110 9.414 0.675 203 HD2 PHE 27 HD2 PHE 27 8.246 7.736 -3.162 204 HE1 PHE 27 HE1 PHE 27 5.355 10.668 -0.394 205 HE2 PHE 27 HE2 PHE 27 6.371 8.972 -4.207 206 HZ PHE 27 HZ PHE 27 4.905 10.417 -2.836 207 H VAL 28 H VAL 28 11.911 7.199 1.322 208 HA VAL 28 HA VAL 28 11.240 4.905 2.909 209 HB VAL 28 HB VAL 28 13.716 6.519 2.375 210 1HG1 VAL 28 1HG1 VAL 28 13.586 4.231 4.314 211 2HG1 VAL 28 2HG1 VAL 28 15.077 4.921 3.654 212 3HG1 VAL 28 3HG1 VAL 28 14.029 5.889 4.683 213 1HG2 VAL 28 1HG2 VAL 28 12.907 4.814 0.680 214 2HG2 VAL 28 2HG2 VAL 28 14.563 4.615 1.266 215 3HG2 VAL 28 3HG2 VAL 28 13.290 3.569 1.885 216 H LYS 29 H LYS 29 12.584 8.165 3.758 217 HA LYS 29 HA LYS 29 12.637 7.641 6.471 218 1HB LYS 29 1HB LYS 29 13.059 10.015 6.757 219 2HB LYS 29 2HB LYS 29 13.855 9.404 5.310 220 1HG LYS 29 1HG LYS 29 11.776 10.227 4.035 221 2HG LYS 29 2HG LYS 29 11.351 11.132 5.476 222 1HD LYS 29 1HD LYS 29 14.090 11.393 4.177 223 2HD LYS 29 2HD LYS 29 12.717 12.241 3.499 224 1HE LYS 29 1HE LYS 29 13.416 12.509 6.441 225 2HE LYS 29 2HE LYS 29 14.226 13.476 5.200 226 1HZ LYS 29 1HZ LYS 29 12.044 14.275 4.483 227 2HZ LYS 29 2HZ LYS 29 11.320 13.471 5.743 228 3HZ LYS 29 3HZ LYS 29 12.404 14.679 6.015 229 H LYS 30 H LYS 30 9.779 8.388 4.737 230 HA LYS 30 HA LYS 30 8.243 9.483 6.940 231 1HB LYS 30 1HB LYS 30 7.518 8.186 4.288 232 2HB LYS 30 2HB LYS 30 6.279 8.592 5.484 233 1HG LYS 30 1HG LYS 30 7.237 10.930 5.547 234 2HG LYS 30 2HG LYS 30 8.213 10.516 4.134 235 1HD LYS 30 1HD LYS 30 6.344 10.263 2.735 236 2HD LYS 30 2HD LYS 30 5.206 10.047 4.064 237 1HE LYS 30 1HE LYS 30 6.704 12.671 3.704 238 2HE LYS 30 2HE LYS 30 5.251 12.318 2.789 239 1HZ LYS 30 1HZ LYS 30 4.266 11.828 5.160 240 2HZ LYS 30 2HZ LYS 30 5.491 12.791 5.651 241 3HZ LYS 30 3HZ LYS 30 4.422 13.360 4.566 242 H ILE 31 H ILE 31 8.604 6.127 5.696 243 HA ILE 31 HA ILE 31 6.884 5.089 7.925 244 HB ILE 31 HB ILE 31 7.877 3.989 5.282 245 1HG1 ILE 31 2HG1 ILE 31 5.209 4.849 6.435 246 2HG1 ILE 31 1HG1 ILE 31 5.195 3.421 5.408 247 1HG2 ILE 31 1HG2 ILE 31 6.466 2.485 7.505 248 2HG2 ILE 31 2HG2 ILE 31 6.772 1.910 5.855 249 3HG2 ILE 31 3HG2 ILE 31 8.136 2.208 6.925 250 1HD1 ILE 31 1HD1 ILE 31 6.310 4.647 3.601 251 2HD1 ILE 31 2HD1 ILE 31 4.739 5.345 4.057 252 3HD1 ILE 31 3HD1 ILE 31 6.237 6.132 4.582 253 H GLY 32 H GLY 32 10.129 4.650 6.247 254 1HA GLY 32 1HA GLY 32 12.157 4.156 7.047 255 2HA GLY 32 2HA GLY 32 11.575 4.677 8.636 256 H GLY 33 H GLY 33 10.708 1.829 6.514 257 1HA GLY 33 1HA GLY 33 11.712 -0.090 8.382 258 2HA GLY 33 2HA GLY 33 9.954 0.102 8.556 259 H ILE 34 H ILE 34 10.764 -2.352 7.653 260 HA ILE 34 HA ILE 34 9.984 -2.288 4.777 261 HB ILE 34 HB ILE 34 10.924 -4.626 6.505 262 1HG1 ILE 34 2HG1 ILE 34 12.025 -3.466 3.890 263 2HG1 ILE 34 1HG1 ILE 34 12.487 -5.023 4.548 264 1HG2 ILE 34 1HG2 ILE 34 9.603 -4.548 3.754 265 2HG2 ILE 34 2HG2 ILE 34 10.431 -5.967 4.413 266 3HG2 ILE 34 3HG2 ILE 34 8.996 -5.345 5.213 267 1HD1 ILE 34 1HD1 ILE 34 13.312 -3.892 6.627 268 2HD1 ILE 34 2HD1 ILE 34 14.195 -3.487 5.140 269 3HD1 ILE 34 3HD1 ILE 34 13.051 -2.327 5.818 270 H PHE 35 H PHE 35 7.758 -2.696 4.440 271 HA PHE 35 HA PHE 35 6.361 -4.071 6.653 272 1HB PHE 35 2HB PHE 35 5.760 -1.744 6.893 273 2HB PHE 35 1HB PHE 35 4.389 -2.783 6.553 274 HD1 PHE 35 HD1 PHE 35 6.633 -0.142 5.184 275 HD2 PHE 35 HD2 PHE 35 3.098 -2.527 4.538 276 HE1 PHE 35 HE1 PHE 35 5.789 1.505 3.467 277 HE2 PHE 35 HE2 PHE 35 2.382 -1.001 2.771 278 HZ PHE 35 HZ PHE 35 3.687 1.063 2.242 279 H ALA 36 H ALA 36 4.143 -4.849 5.710 280 HA ALA 36 HA ALA 36 4.333 -5.416 2.805 281 1HB ALA 36 2HB ALA 36 3.549 -7.778 3.440 282 2HB ALA 36 3HB ALA 36 5.241 -7.390 3.788 283 3HB ALA 36 1HB ALA 36 4.046 -7.403 5.095 284 H PHE 37 H PHE 37 2.317 -5.771 1.803 285 HA PHE 37 HA PHE 37 -0.063 -4.745 3.288 286 1HB PHE 37 1HB PHE 37 0.466 -5.120 0.307 287 2HB PHE 37 2HB PHE 37 -1.015 -4.496 1.023 288 HD1 PHE 37 HD1 PHE 37 -0.641 -2.340 2.636 289 HD2 PHE 37 HD2 PHE 37 1.874 -3.561 -0.655 290 HE1 PHE 37 HE1 PHE 37 -0.193 0.018 2.121 291 HE2 PHE 37 HE2 PHE 37 2.404 -1.211 -1.134 292 HZ PHE 37 HZ PHE 37 1.368 0.633 0.231 293 H LYS 38 H LYS 38 -1.113 -6.594 4.225 294 HA LYS 38 HA LYS 38 -1.139 -9.135 2.735 295 1HB LYS 38 1HB LYS 38 -1.608 -8.303 5.487 296 2HB LYS 38 2HB LYS 38 -3.095 -8.978 4.988 297 1HG LYS 38 1HG LYS 38 -0.389 -10.413 4.652 298 2HG LYS 38 2HG LYS 38 -1.340 -10.474 6.143 299 1HD LYS 38 1HD LYS 38 -1.832 -12.454 5.033 300 2HD LYS 38 2HD LYS 38 -3.267 -11.445 4.829 301 1HE LYS 38 1HE LYS 38 -2.562 -10.926 2.511 302 2HE LYS 38 2HE LYS 38 -1.056 -11.810 2.759 303 1HZ LYS 38 1HZ LYS 38 -2.367 -13.813 3.099 304 2HZ LYS 38 2HZ LYS 38 -3.760 -13.006 2.733 305 3HZ LYS 38 3HZ LYS 38 -2.544 -13.167 1.619 306 H VAL 39 H VAL 39 -2.445 -9.048 0.916 307 HA VAL 39 HA VAL 39 -4.888 -7.326 1.123 308 HB VAL 39 HB VAL 39 -3.002 -8.071 -1.200 309 1HG1 VAL 39 1HG1 VAL 39 -5.447 -6.291 -1.014 310 2HG1 VAL 39 2HG1 VAL 39 -4.278 -6.200 -2.351 311 3HG1 VAL 39 3HG1 VAL 39 -5.172 -7.689 -2.066 312 1HG2 VAL 39 1HG2 VAL 39 -2.430 -6.195 0.749 313 2HG2 VAL 39 2HG2 VAL 39 -1.841 -6.181 -0.920 314 3HG2 VAL 39 3HG2 VAL 39 -3.253 -5.239 -0.455 315 H LYS 40 H LYS 40 -6.552 -8.978 1.509 316 HA LYS 40 HA LYS 40 -6.796 -11.084 -0.558 317 1HB LYS 40 1HB LYS 40 -8.390 -12.161 1.157 318 2HB LYS 40 2HB LYS 40 -6.671 -12.351 1.316 319 1HG LYS 40 1HG LYS 40 -6.525 -10.780 3.132 320 2HG LYS 40 2HG LYS 40 -8.232 -10.365 2.981 321 1HD LYS 40 1HD LYS 40 -7.208 -13.172 3.608 322 2HD LYS 40 2HD LYS 40 -7.632 -11.982 4.852 323 1HE LYS 40 1HE LYS 40 -9.943 -11.890 4.092 324 2HE LYS 40 2HE LYS 40 -9.582 -12.945 2.710 325 1HZ LYS 40 1HZ LYS 40 -9.373 -13.812 5.545 326 2HZ LYS 40 2HZ LYS 40 -10.627 -14.099 4.574 327 3HZ LYS 40 3HZ LYS 40 -9.171 -14.741 4.175 328 H ASP 41 H ASP 41 -9.172 -11.574 -0.717 329 HA ASP 41 HA ASP 41 -11.212 -11.012 -1.497 330 1HB ASP 41 1HB ASP 41 -11.512 -10.344 0.891 331 2HB ASP 41 2HB ASP 41 -11.204 -8.680 0.425 332 H GLY 42 H GLY 42 -9.559 -10.532 -3.248 333 1HA GLY 42 1HA GLY 42 -9.995 -7.865 -4.488 334 2HA GLY 42 2HA GLY 42 -8.851 -9.114 -4.998 335 HA PRO 43 HA PRO 43 -12.738 -9.340 -7.574 336 1HB PRO 43 1HB PRO 43 -11.717 -8.934 -10.048 337 2HB PRO 43 2HB PRO 43 -11.973 -7.594 -8.899 338 1HG PRO 43 1HG PRO 43 -9.369 -9.009 -9.537 339 2HG PRO 43 2HG PRO 43 -9.661 -7.260 -9.342 340 1HD PRO 43 1HD PRO 43 -8.729 -8.989 -7.367 341 2HD PRO 43 2HD PRO 43 -9.508 -7.427 -7.027 342 H GLY 44 H GLY 44 -12.197 -11.507 -6.435 343 1HA GLY 44 1HA GLY 44 -12.254 -13.799 -8.036 344 2HA GLY 44 2HA GLY 44 -10.555 -13.445 -7.753 345 H GLY 45 H GLY 45 -10.521 -12.439 -5.229 346 1HA GLY 45 1HA GLY 45 -11.367 -12.765 -2.961 347 2HA GLY 45 2HA GLY 45 -11.888 -14.385 -3.414 348 H LYS 46 H LYS 46 -8.986 -13.893 -4.949 349 HA LYS 46 HA LYS 46 -7.464 -15.646 -3.254 350 1HB LYS 46 1HB LYS 46 -6.704 -13.877 -5.605 351 2HB LYS 46 2HB LYS 46 -5.599 -15.014 -4.848 352 1HG LYS 46 1HG LYS 46 -7.037 -16.903 -5.431 353 2HG LYS 46 2HG LYS 46 -8.165 -15.803 -6.275 354 1HD LYS 46 1HD LYS 46 -6.472 -15.163 -7.863 355 2HD LYS 46 2HD LYS 46 -5.192 -15.918 -6.892 356 1HE LYS 46 1HE LYS 46 -6.415 -18.145 -7.304 357 2HE LYS 46 2HE LYS 46 -7.315 -17.273 -8.555 358 1HZ LYS 46 1HZ LYS 46 -5.182 -16.712 -9.574 359 2HZ LYS 46 2HZ LYS 46 -4.377 -17.563 -8.417 360 3HZ LYS 46 3HZ LYS 46 -5.375 -18.317 -9.508 361 H GLU 47 H GLU 47 -5.025 -14.803 -2.988 362 HA GLU 47 HA GLU 47 -5.111 -12.242 -1.529 363 1HB GLU 47 2HB GLU 47 -4.181 -13.097 0.375 364 2HB GLU 47 1HB GLU 47 -3.518 -14.526 -0.406 365 1HG GLU 47 1HG GLU 47 -5.527 -14.713 1.264 366 2HG GLU 47 2HG GLU 47 -6.536 -14.224 -0.088 367 H ALA 48 H ALA 48 -3.396 -10.929 -1.757 368 HA ALA 48 HA ALA 48 -0.931 -11.717 -3.274 369 1HB ALA 48 1HB ALA 48 -2.743 -9.333 -3.504 370 2HB ALA 48 2HB ALA 48 -1.007 -9.023 -3.505 371 3HB ALA 48 3HB ALA 48 -1.681 -10.098 -4.706 372 H THR 49 H THR 49 0.975 -10.514 -2.356 373 HA THR 49 HA THR 49 0.378 -8.495 -0.425 374 HB THR 49 HB THR 49 2.182 -10.847 0.270 375 HG1 THR 49 HG1 THR 49 -0.168 -10.642 0.764 376 1HG2 THR 49 1HG2 THR 49 2.042 -8.179 1.698 377 2HG2 THR 49 2HG2 THR 49 2.863 -9.634 2.311 378 3HG2 THR 49 3HG2 THR 49 3.456 -8.828 0.869 379 H TRP 50 H TRP 50 1.379 -6.776 -1.162 380 HA TRP 50 HA TRP 50 3.919 -7.009 -2.723 381 1HB TRP 50 1HB TRP 50 1.764 -4.954 -2.459 382 2HB TRP 50 2HB TRP 50 3.405 -4.326 -2.374 383 HD1 TRP 50 HD1 TRP 50 4.390 -3.680 -4.680 384 HE1 TRP 50 HE1 TRP 50 3.983 -4.282 -7.134 385 HE3 TRP 50 HE3 TRP 50 0.681 -7.097 -3.978 386 HZ2 TRP 50 HZ2 TRP 50 2.310 -6.100 -8.565 387 HZ3 TRP 50 HZ3 TRP 50 -0.476 -8.079 -5.936 388 HH2 TRP 50 HH2 TRP 50 0.340 -7.596 -8.230 389 H VAL 51 H VAL 51 5.824 -6.702 -1.599 390 HA VAL 51 HA VAL 51 5.735 -5.956 1.287 391 HB VAL 51 HB VAL 51 8.062 -7.083 -0.322 392 1HG1 VAL 51 1HG1 VAL 51 7.657 -6.791 2.685 393 2HG1 VAL 51 2HG1 VAL 51 9.033 -7.586 1.898 394 3HG1 VAL 51 3HG1 VAL 51 8.786 -5.853 1.678 395 1HG2 VAL 51 1HG2 VAL 51 6.020 -8.511 1.421 396 2HG2 VAL 51 2HG2 VAL 51 6.428 -8.833 -0.285 397 3HG2 VAL 51 3HG2 VAL 51 7.588 -9.210 0.989 398 H VAL 52 H VAL 52 6.939 -4.025 1.941 399 HA VAL 52 HA VAL 52 7.759 -2.290 -0.325 400 HB VAL 52 HB VAL 52 6.253 -1.393 2.136 401 1HG1 VAL 52 1HG1 VAL 52 7.569 0.289 0.881 402 2HG1 VAL 52 2HG1 VAL 52 6.685 -0.122 -0.600 403 3HG1 VAL 52 3HG1 VAL 52 5.835 0.618 0.770 404 1HG2 VAL 52 1HG2 VAL 52 5.023 -2.290 -0.498 405 2HG2 VAL 52 2HG2 VAL 52 4.614 -2.787 1.148 406 3HG2 VAL 52 3HG2 VAL 52 4.234 -1.155 0.608 407 H ASP 53 H ASP 53 9.978 -2.149 -0.081 408 HA ASP 53 HA ASP 53 11.112 -2.006 2.640 409 1HB ASP 53 1HB ASP 53 12.249 -3.263 0.655 410 2HB ASP 53 2HB ASP 53 12.670 -1.697 0.039 411 H VAL 54 H VAL 54 10.656 -0.081 3.504 412 HA VAL 54 HA VAL 54 11.606 2.272 2.026 413 HB VAL 54 HB VAL 54 9.744 3.552 3.372 414 1HG1 VAL 54 1HG1 VAL 54 9.156 2.002 0.841 415 2HG1 VAL 54 2HG1 VAL 54 8.153 3.332 1.486 416 3HG1 VAL 54 3HG1 VAL 54 9.819 3.640 1.014 417 1HG2 VAL 54 1HG2 VAL 54 8.894 1.674 4.652 418 2HG2 VAL 54 2HG2 VAL 54 7.669 2.441 3.644 419 3HG2 VAL 54 3HG2 VAL 54 8.350 0.868 3.159 420 H LYS 55 H LYS 55 13.168 0.622 3.460 421 HA LYS 55 HA LYS 55 13.925 2.595 5.558 422 1HB LYS 55 1HB LYS 55 13.114 0.256 6.471 423 2HB LYS 55 2HB LYS 55 14.690 -0.307 5.920 424 1HG LYS 55 1HG LYS 55 15.717 1.647 7.225 425 2HG LYS 55 2HG LYS 55 14.101 2.003 7.826 426 1HD LYS 55 1HD LYS 55 15.077 0.788 9.536 427 2HD LYS 55 2HD LYS 55 14.073 -0.433 8.739 428 1HE LYS 55 1HE LYS 55 16.043 -1.348 7.582 429 2HE LYS 55 2HE LYS 55 17.006 0.055 8.067 430 1HZ LYS 55 1HZ LYS 55 16.690 -0.639 10.372 431 2HZ LYS 55 2HZ LYS 55 16.097 -2.102 9.843 432 3HZ LYS 55 3HZ LYS 55 17.635 -1.605 9.467 433 H ASN 56 H ASN 56 14.972 -0.102 3.467 434 HA ASN 56 HA ASN 56 17.765 0.699 3.989 435 1HB ASN 56 1HB ASN 56 16.294 -1.711 2.911 436 2HB ASN 56 2HB ASN 56 17.934 -1.482 2.391 437 2HD2 ASN 56 1HD2 ASN 56 15.948 -2.586 4.896 438 1HD2 ASN 56 2HD2 ASN 56 17.181 -2.926 6.099 439 H GLY 57 H GLY 57 19.179 1.562 2.467 440 1HA GLY 57 1HA GLY 57 20.040 2.196 0.430 441 2HA GLY 57 2HA GLY 57 18.800 1.253 -0.386 442 H LYS 58 H LYS 58 17.683 2.572 -1.725 443 HA LYS 58 HA LYS 58 16.567 5.069 -0.647 444 1HB LYS 58 2HB LYS 58 16.377 5.940 -2.737 445 2HB LYS 58 1HB LYS 58 16.302 4.374 -3.524 446 1HG LYS 58 1HG LYS 58 18.761 5.644 -2.409 447 2HG LYS 58 2HG LYS 58 18.738 4.052 -3.185 448 1HD LYS 58 1HD LYS 58 17.883 6.591 -4.636 449 2HD LYS 58 2HD LYS 58 19.546 6.055 -4.524 450 1HE LYS 58 2HE LYS 58 18.542 3.736 -5.427 451 2HE LYS 58 1HE LYS 58 19.156 5.034 -6.451 452 1HZ LYS 58 1HZ LYS 58 16.882 5.846 -6.661 453 2HZ LYS 58 2HZ LYS 58 17.155 4.392 -7.337 454 3HZ LYS 58 3HZ LYS 58 16.308 4.457 -5.923 455 H GLY 59 H GLY 59 15.762 1.854 -0.547 456 1HA GLY 59 1HA GLY 59 13.765 0.931 -0.185 457 2HA GLY 59 2HA GLY 59 12.946 2.466 -0.532 458 H SER 60 H SER 60 12.159 -0.045 -1.387 459 HA SER 60 HA SER 60 11.440 0.454 -4.017 460 1HB SER 60 2HB SER 60 12.255 -1.622 -5.086 461 2HB SER 60 1HB SER 60 13.138 -2.069 -3.633 462 HG SER 60 HG SER 60 13.724 0.105 -5.394 463 H VAL 61 H VAL 61 9.813 -1.183 -4.686 464 HA VAL 61 HA VAL 61 8.489 -2.360 -2.312 465 HB VAL 61 HB VAL 61 7.295 -1.763 -5.023 466 1HG1 VAL 61 1HG1 VAL 61 5.982 -3.066 -3.365 467 2HG1 VAL 61 2HG1 VAL 61 5.994 -1.669 -2.301 468 3HG1 VAL 61 3HG1 VAL 61 5.195 -1.584 -3.896 469 1HG2 VAL 61 1HG2 VAL 61 8.265 0.396 -4.243 470 2HG2 VAL 61 2HG2 VAL 61 6.503 0.409 -4.252 471 3HG2 VAL 61 3HG2 VAL 61 7.392 0.235 -2.719 472 H LEU 62 H LEU 62 8.715 -4.654 -2.242 473 HA LEU 62 HA LEU 62 9.920 -5.839 -4.741 474 1HB LEU 62 1HB LEU 62 9.830 -6.762 -1.857 475 2HB LEU 62 2HB LEU 62 10.730 -7.523 -3.154 476 HG LEU 62 HG LEU 62 11.449 -4.659 -2.782 477 1HD1 LEU 62 1HD1 LEU 62 11.777 -6.626 -0.486 478 2HD1 LEU 62 2HD1 LEU 62 12.696 -5.099 -0.654 479 3HD1 LEU 62 3HD1 LEU 62 10.942 -5.064 -0.453 480 1HD2 LEU 62 1HD2 LEU 62 12.696 -6.292 -4.155 481 2HD2 LEU 62 2HD2 LEU 62 13.679 -5.571 -2.873 482 3HD2 LEU 62 3HD2 LEU 62 13.050 -7.237 -2.685 483 HA PRO 63 HA PRO 63 5.771 -7.591 -4.709 484 1HB PRO 63 1HB PRO 63 5.742 -8.789 -7.229 485 2HB PRO 63 2HB PRO 63 5.366 -7.080 -6.862 486 1HG PRO 63 1HG PRO 63 7.960 -8.250 -7.862 487 2HG PRO 63 2HG PRO 63 7.156 -6.710 -8.330 488 1HD PRO 63 1HD PRO 63 9.239 -6.754 -6.612 489 2HD PRO 63 2HD PRO 63 7.880 -5.629 -6.405 490 H ASN 64 H ASN 64 4.895 -9.560 -4.104 491 HA ASN 64 HA ASN 64 4.953 -11.411 -2.953 492 1HB ASN 64 2HB ASN 64 5.015 -13.338 -4.173 493 2HB ASN 64 1HB ASN 64 6.289 -12.768 -5.246 494 2HD2 ASN 64 1HD2 ASN 64 5.343 -12.956 -7.251 495 1HD2 ASN 64 2HD2 ASN 64 3.753 -12.322 -7.643 496 H SER 65 H SER 65 7.389 -9.824 -2.332 497 HA SER 65 HA SER 65 9.663 -11.478 -2.501 498 1HB SER 65 1HB SER 65 9.521 -8.979 -2.117 499 2HB SER 65 2HB SER 65 9.259 -9.324 -0.396 500 HG SER 65 HG SER 65 11.436 -10.638 -1.538 501 H ASP 66 H ASP 66 10.700 -12.768 -1.090 502 HA ASP 66 HA ASP 66 9.201 -14.164 1.026 503 1HB ASP 66 1HB ASP 66 10.771 -15.271 -0.644 504 2HB ASP 66 2HB ASP 66 12.092 -14.394 0.118 505 H LYS 67 H LYS 67 11.302 -11.382 0.665 506 HA LYS 67 HA LYS 67 12.597 -11.364 3.213 507 1HB LYS 67 1HB LYS 67 11.694 -9.099 1.363 508 2HB LYS 67 2HB LYS 67 12.534 -8.841 2.883 509 1HG LYS 67 1HG LYS 67 14.269 -10.609 1.882 510 2HG LYS 67 2HG LYS 67 13.607 -10.079 0.336 511 1HD LYS 67 1HD LYS 67 14.763 -8.244 2.486 512 2HD LYS 67 2HD LYS 67 15.701 -8.898 1.143 513 1HE LYS 67 1HE LYS 67 14.332 -7.710 -0.473 514 2HE LYS 67 2HE LYS 67 13.253 -7.117 0.800 515 1HZ LYS 67 1HZ LYS 67 16.123 -6.490 0.818 516 2HZ LYS 67 2HZ LYS 67 15.102 -5.600 -0.076 517 3HZ LYS 67 3HZ LYS 67 14.900 -5.639 1.545 518 H LYS 68 H LYS 68 11.856 -11.076 5.187 519 HA LYS 68 HA LYS 68 9.079 -11.032 5.808 520 1HB LYS 68 1HB LYS 68 9.877 -11.042 8.094 521 2HB LYS 68 2HB LYS 68 11.032 -11.986 7.165 522 1HG LYS 68 1HG LYS 68 12.235 -9.595 6.911 523 2HG LYS 68 2HG LYS 68 11.339 -9.199 8.353 524 1HD LYS 68 1HD LYS 68 12.534 -10.730 9.668 525 2HD LYS 68 2HD LYS 68 12.980 -11.713 8.268 526 1HE LYS 68 1HE LYS 68 14.364 -9.739 7.447 527 2HE LYS 68 2HE LYS 68 14.076 -8.968 9.016 528 1HZ LYS 68 1HZ LYS 68 15.159 -10.902 10.040 529 2HZ LYS 68 2HZ LYS 68 15.393 -11.567 8.551 530 3HZ LYS 68 3HZ LYS 68 16.158 -10.148 8.949 531 H ALA 69 H ALA 69 8.568 -9.381 7.626 532 HA ALA 69 HA ALA 69 9.261 -6.583 6.903 533 1HB ALA 69 3HB ALA 69 7.183 -7.136 5.666 534 2HB ALA 69 1HB ALA 69 6.427 -7.732 7.162 535 3HB ALA 69 2HB ALA 69 6.822 -6.023 7.000 536 H ASP 70 H ASP 70 8.667 -5.031 8.450 537 HA ASP 70 HA ASP 70 9.174 -5.748 11.221 538 1HB ASP 70 1HB ASP 70 8.988 -3.307 9.777 539 2HB ASP 70 2HB ASP 70 7.684 -3.218 10.939 540 H CYS 71 H CYS 71 6.268 -4.756 9.440 541 HA CYS 71 HA CYS 71 4.491 -6.463 10.978 542 1HB CYS 71 2HB CYS 71 2.902 -4.589 11.351 543 2HB CYS 71 1HB CYS 71 4.035 -3.458 10.638 544 HG CYS 71 HG CYS 71 4.562 -5.325 13.332 545 H THR 72 H THR 72 2.295 -6.264 9.858 546 HA THR 72 HA THR 72 2.535 -5.697 6.957 547 HB THR 72 HB THR 72 0.880 -7.915 8.178 548 HG1 THR 72 HG1 THR 72 2.982 -8.469 8.486 549 1HG2 THR 72 1HG2 THR 72 0.178 -7.179 5.849 550 2HG2 THR 72 2HG2 THR 72 1.796 -7.485 5.287 551 3HG2 THR 72 3HG2 THR 72 0.816 -8.814 5.890 552 H ILE 73 H ILE 73 -0.268 -5.828 6.500 553 HA ILE 73 HA ILE 73 -1.662 -4.364 8.548 554 HB ILE 73 HB ILE 73 -0.217 -2.741 7.099 555 1HG1 ILE 73 1HG1 ILE 73 -3.120 -2.114 7.519 556 2HG1 ILE 73 2HG1 ILE 73 -1.975 -2.360 8.854 557 1HG2 ILE 73 1HG2 ILE 73 -0.951 -3.758 4.973 558 2HG2 ILE 73 2HG2 ILE 73 -2.582 -3.156 5.265 559 3HG2 ILE 73 3HG2 ILE 73 -1.260 -2.007 5.023 560 1HD1 ILE 73 1HD1 ILE 73 -1.532 -0.267 6.710 561 2HD1 ILE 73 2HD1 ILE 73 -2.294 0.049 8.278 562 3HD1 ILE 73 3HD1 ILE 73 -0.620 -0.534 8.213 563 H THR 74 H THR 74 -4.125 -4.010 7.577 564 HA THR 74 HA THR 74 -4.608 -5.938 5.375 565 HB THR 74 HB THR 74 -5.878 -6.112 8.133 566 HG1 THR 74 HG1 THR 74 -3.839 -7.278 7.255 567 1HG2 THR 74 1HG2 THR 74 -6.702 -7.425 5.493 568 2HG2 THR 74 2HG2 THR 74 -7.262 -7.952 7.082 569 3HG2 THR 74 3HG2 THR 74 -7.707 -6.345 6.499 570 H MET 75 H MET 75 -6.205 -5.140 3.907 571 HA MET 75 HA MET 75 -7.971 -3.015 5.139 572 1HB MET 75 1HB MET 75 -6.219 -2.674 2.714 573 2HB MET 75 2HB MET 75 -7.755 -1.848 2.800 574 1HG MET 75 1HG MET 75 -6.341 -0.266 3.573 575 2HG MET 75 2HG MET 75 -6.977 -0.929 5.078 576 1HE MET 75 1HE MET 75 -4.445 0.959 4.437 577 2HE MET 75 2HE MET 75 -4.927 0.602 6.112 578 3HE MET 75 3HE MET 75 -3.240 0.381 5.594 579 H ALA 76 H ALA 76 -7.821 -5.780 3.265 580 HA ALA 76 HA ALA 76 -8.925 -6.877 1.741 581 1HB ALA 76 1HB ALA 76 -11.110 -6.490 2.736 582 2HB ALA 76 2HB ALA 76 -11.232 -4.929 1.886 583 3HB ALA 76 3HB ALA 76 -11.169 -6.429 0.966 584 H ASP 77 H ASP 77 -8.828 -6.868 -0.492 585 HA ASP 77 HA ASP 77 -7.061 -4.965 -1.718 586 1HB ASP 77 1HB ASP 77 -7.323 -7.409 -2.206 587 2HB ASP 77 2HB ASP 77 -8.820 -7.082 -2.965 588 H SER 78 H SER 78 -10.367 -5.852 -2.178 589 HA SER 78 HA SER 78 -11.173 -4.055 -4.235 590 1HB SER 78 1HB SER 78 -13.456 -4.299 -2.910 591 2HB SER 78 2HB SER 78 -12.754 -5.681 -3.759 592 HG SER 78 HG SER 78 -12.211 -6.625 -1.901 593 H ASP 79 H ASP 79 -11.122 -3.669 -0.761 594 HA ASP 79 HA ASP 79 -12.016 -0.954 -0.663 595 1HB ASP 79 1HB ASP 79 -11.674 -2.916 1.164 596 2HB ASP 79 2HB ASP 79 -10.202 -1.987 1.469 597 H PHE 80 H PHE 80 -8.720 -2.357 -0.443 598 HA PHE 80 HA PHE 80 -7.088 -0.109 -0.216 599 1HB PHE 80 1HB PHE 80 -6.838 -2.865 -1.344 600 2HB PHE 80 2HB PHE 80 -5.667 -1.749 -1.933 601 HD1 PHE 80 HD1 PHE 80 -4.623 -0.181 0.186 602 HD2 PHE 80 HD2 PHE 80 -5.853 -4.308 0.115 603 HE1 PHE 80 HE1 PHE 80 -2.881 -0.731 1.869 604 HE2 PHE 80 HE2 PHE 80 -4.131 -4.860 1.760 605 HZ PHE 80 HZ PHE 80 -2.592 -3.105 2.631 606 H LEU 81 H LEU 81 -8.129 -1.722 -3.218 607 HA LEU 81 HA LEU 81 -7.027 -0.047 -5.163 608 1HB LEU 81 1HB LEU 81 -8.168 -2.222 -5.546 609 2HB LEU 81 2HB LEU 81 -9.695 -1.518 -5.099 610 HG LEU 81 HG LEU 81 -9.423 0.109 -7.090 611 1HD1 LEU 81 1HD1 LEU 81 -7.246 -1.914 -7.809 612 2HD1 LEU 81 2HD1 LEU 81 -8.008 -0.797 -8.954 613 3HD1 LEU 81 3HD1 LEU 81 -7.061 -0.148 -7.619 614 1HD2 LEU 81 1HD2 LEU 81 -9.735 -2.882 -7.325 615 2HD2 LEU 81 2HD2 LEU 81 -11.000 -1.664 -7.150 616 3HD2 LEU 81 3HD2 LEU 81 -10.090 -1.776 -8.680 617 H ALA 82 H ALA 82 -10.392 0.022 -3.984 618 HA ALA 82 HA ALA 82 -11.239 2.416 -5.147 619 1HB ALA 82 3HB ALA 82 -12.994 1.235 -4.271 620 2HB ALA 82 2HB ALA 82 -12.759 2.344 -2.903 621 3HB ALA 82 1HB ALA 82 -12.102 0.723 -2.828 622 H LEU 83 H LEU 83 -9.641 1.985 -1.988 623 HA LEU 83 HA LEU 83 -9.750 4.523 -0.930 624 1HB LEU 83 1HB LEU 83 -8.112 2.146 -0.535 625 2HB LEU 83 2HB LEU 83 -7.080 3.560 -0.473 626 HG LEU 83 HG LEU 83 -8.641 4.566 1.198 627 1HD1 LEU 83 1HD1 LEU 83 -10.662 3.228 0.733 628 2HD1 LEU 83 2HD1 LEU 83 -9.846 1.769 1.298 629 3HD1 LEU 83 3HD1 LEU 83 -10.200 3.107 2.421 630 1HD2 LEU 83 1HD2 LEU 83 -6.537 3.429 1.841 631 2HD2 LEU 83 2HD2 LEU 83 -7.789 3.187 3.065 632 3HD2 LEU 83 3HD2 LEU 83 -7.398 1.877 1.931 633 H MET 84 H MET 84 -6.908 3.409 -2.938 634 HA MET 84 HA MET 84 -6.124 6.190 -3.187 635 1HB MET 84 1HB MET 84 -4.235 5.215 -4.515 636 2HB MET 84 2HB MET 84 -4.401 4.857 -2.804 637 1HG MET 84 1HG MET 84 -5.590 2.645 -3.946 638 2HG MET 84 2HG MET 84 -4.291 3.033 -5.063 639 1HE MET 84 1HE MET 84 -2.094 4.009 -4.105 640 2HE MET 84 2HE MET 84 -1.161 3.250 -2.793 641 3HE MET 84 3HE MET 84 -1.495 2.375 -4.295 642 H THR 85 H THR 85 -7.974 3.983 -5.226 643 HA THR 85 HA THR 85 -7.570 5.498 -7.624 644 HB THR 85 HB THR 85 -9.824 3.581 -6.879 645 HG1 THR 85 HG1 THR 85 -8.018 2.480 -6.575 646 1HG2 THR 85 1HG2 THR 85 -8.583 4.167 -9.600 647 2HG2 THR 85 2HG2 THR 85 -9.835 2.959 -9.229 648 3HG2 THR 85 3HG2 THR 85 -10.206 4.685 -9.072 649 H GLY 86 H GLY 86 -9.426 6.168 -4.784 650 1HA GLY 86 1HA GLY 86 -9.800 8.481 -4.429 651 2HA GLY 86 2HA GLY 86 -10.255 8.700 -6.116 652 H LYS 87 H LYS 87 -11.393 6.087 -4.000 653 HA LYS 87 HA LYS 87 -14.160 6.920 -4.630 654 1HB LYS 87 1HB LYS 87 -13.086 4.762 -5.384 655 2HB LYS 87 2HB LYS 87 -13.056 4.261 -3.699 656 1HG LYS 87 1HG LYS 87 -15.661 5.094 -4.933 657 2HG LYS 87 2HG LYS 87 -14.951 3.542 -5.403 658 1HD LYS 87 1HD LYS 87 -15.010 2.725 -3.107 659 2HD LYS 87 2HD LYS 87 -15.575 4.294 -2.526 660 1HE LYS 87 1HE LYS 87 -17.470 3.869 -4.387 661 2HE LYS 87 2HE LYS 87 -17.032 2.182 -4.106 662 1HZ LYS 87 1HZ LYS 87 -17.482 2.571 -1.731 663 2HZ LYS 87 2HZ LYS 87 -17.908 4.136 -2.063 664 3HZ LYS 87 3HZ LYS 87 -18.815 2.898 -2.652 665 H MET 88 H MET 88 -12.045 6.388 -1.773 666 HA MET 88 HA MET 88 -14.055 7.632 -0.188 667 1HB MET 88 1HB MET 88 -14.649 6.006 1.350 668 2HB MET 88 2HB MET 88 -14.796 5.167 -0.181 669 1HG MET 88 1HG MET 88 -12.824 3.932 0.178 670 2HG MET 88 2HG MET 88 -12.307 4.907 1.544 671 1HE MET 88 1HE MET 88 -12.987 4.688 3.953 672 2HE MET 88 2HE MET 88 -14.618 5.290 3.569 673 3HE MET 88 3HE MET 88 -14.422 3.822 4.540 674 H ASN 89 H ASN 89 -13.319 7.587 2.194 675 HA ASN 89 HA ASN 89 -11.090 9.059 2.660 676 1HB ASN 89 1HB ASN 89 -12.239 6.910 4.485 677 2HB ASN 89 2HB ASN 89 -11.115 8.155 5.012 678 2HD2 ASN 89 1HD2 ASN 89 -13.328 7.942 6.441 679 1HD2 ASN 89 2HD2 ASN 89 -14.425 9.289 6.146 680 HA PRO 90 HA PRO 90 -7.680 6.184 2.038 681 1HB PRO 90 1HB PRO 90 -5.562 7.610 2.990 682 2HB PRO 90 2HB PRO 90 -6.505 8.110 1.570 683 1HG PRO 90 1HG PRO 90 -6.875 9.055 4.437 684 2HG PRO 90 2HG PRO 90 -6.642 10.061 2.964 685 1HD PRO 90 1HD PRO 90 -9.109 9.501 3.939 686 2HD PRO 90 2HD PRO 90 -8.810 9.560 2.174 687 H GLN 91 H GLN 91 -9.282 5.420 4.271 688 HA GLN 91 HA GLN 91 -7.404 4.136 6.080 689 1HB GLN 91 1HB GLN 91 -8.404 5.221 8.120 690 2HB GLN 91 2HB GLN 91 -7.265 6.153 7.165 691 1HG GLN 91 1HG GLN 91 -9.264 7.359 6.130 692 2HG GLN 91 2HG GLN 91 -10.249 6.603 7.383 693 2HE2 GLN 91 1HE2 GLN 91 -9.795 9.517 7.001 694 1HE2 GLN 91 2HE2 GLN 91 -9.044 10.063 8.454 695 H SER 92 H SER 92 -8.424 2.364 4.920 696 HA SER 92 HA SER 92 -11.233 1.926 5.272 697 1HB SER 92 1HB SER 92 -11.094 0.204 4.004 698 2HB SER 92 2HB SER 92 -9.563 0.927 3.487 699 HG SER 92 HG SER 92 -9.746 -1.422 4.014 700 H ALA 93 H ALA 93 -8.398 1.063 7.264 701 HA ALA 93 HA ALA 93 -9.793 -0.503 9.146 702 1HB ALA 93 2HB ALA 93 -7.389 1.372 9.527 703 2HB ALA 93 3HB ALA 93 -7.866 0.029 10.573 704 3HB ALA 93 1HB ALA 93 -7.328 -0.253 8.900 705 H PHE 94 H PHE 94 -8.697 2.713 10.267 706 HA PHE 94 HA PHE 94 -9.791 4.299 11.495 707 1HB PHE 94 1HB PHE 94 -10.390 4.663 9.066 708 2HB PHE 94 2HB PHE 94 -11.932 3.887 9.382 709 HD1 PHE 94 HD1 PHE 94 -9.773 6.653 10.707 710 HD2 PHE 94 HD2 PHE 94 -13.758 5.368 9.663 711 HE1 PHE 94 HE1 PHE 94 -10.649 8.945 11.185 712 HE2 PHE 94 HE2 PHE 94 -14.626 7.624 10.203 713 HZ PHE 94 HZ PHE 94 -13.078 9.405 10.991 714 H PHE 95 H PHE 95 -12.673 4.689 11.723 715 HA PHE 95 HA PHE 95 -13.302 3.288 14.110 716 1HB PHE 95 1HB PHE 95 -14.725 5.147 12.187 717 2HB PHE 95 2HB PHE 95 -15.662 4.312 13.384 718 HD1 PHE 95 HD1 PHE 95 -12.892 6.794 13.057 719 HD2 PHE 95 HD2 PHE 95 -15.840 4.970 15.620 720 HE1 PHE 95 HE1 PHE 95 -12.601 8.619 14.725 721 HE2 PHE 95 HE2 PHE 95 -15.566 6.782 17.259 722 HZ PHE 95 HZ PHE 95 -13.977 8.605 16.827 723 H GLN 96 H GLN 96 -13.345 1.858 10.985 724 HA GLN 96 HA GLN 96 -15.871 0.417 11.254 725 1HB GLN 96 1HB GLN 96 -13.518 0.565 9.284 726 2HB GLN 96 2HB GLN 96 -14.671 -0.727 9.255 727 1HG GLN 96 1HG GLN 96 -16.452 1.148 9.256 728 2HG GLN 96 2HG GLN 96 -15.147 2.153 8.628 729 2HE2 GLN 96 1HE2 GLN 96 -14.221 1.624 6.648 730 1HE2 GLN 96 2HE2 GLN 96 -14.918 0.532 5.469 731 H GLY 97 H GLY 97 -13.067 -1.434 10.339 732 1HA GLY 97 1HA GLY 97 -12.332 -2.670 12.766 733 2HA GLY 97 2HA GLY 97 -13.847 -3.409 12.265 734 H LYS 98 H LYS 98 -11.423 -2.502 9.705 735 HA LYS 98 HA LYS 98 -11.159 -5.218 8.911 736 1HB LYS 98 1HB LYS 98 -9.785 -2.608 8.237 737 2HB LYS 98 2HB LYS 98 -9.141 -4.104 7.575 738 1HG LYS 98 1HG LYS 98 -12.080 -3.441 7.327 739 2HG LYS 98 2HG LYS 98 -10.850 -2.846 6.205 740 1HD LYS 98 1HD LYS 98 -10.246 -5.120 5.552 741 2HD LYS 98 2HD LYS 98 -11.231 -5.811 6.842 742 1HE LYS 98 1HE LYS 98 -12.361 -6.053 4.691 743 2HE LYS 98 2HE LYS 98 -13.289 -5.049 5.813 744 1HZ LYS 98 1HZ LYS 98 -11.574 -3.916 3.688 745 2HZ LYS 98 2HZ LYS 98 -13.206 -4.160 3.549 746 3HZ LYS 98 3HZ LYS 98 -12.624 -3.120 4.653 747 H LEU 99 H LEU 99 -10.124 -4.339 11.762 748 HA LEU 99 HA LEU 99 -8.236 -4.498 13.055 749 1HB LEU 99 1HB LEU 99 -9.516 -6.514 13.386 750 2HB LEU 99 2HB LEU 99 -8.697 -7.322 12.057 751 HG LEU 99 HG LEU 99 -6.643 -7.499 13.279 752 1HD1 LEU 99 1HD1 LEU 99 -7.842 -5.647 15.377 753 2HD1 LEU 99 2HD1 LEU 99 -6.328 -6.548 15.564 754 3HD1 LEU 99 3HD1 LEU 99 -6.438 -5.305 14.325 755 1HD2 LEU 99 1HD2 LEU 99 -8.439 -9.071 13.940 756 2HD2 LEU 99 2HD2 LEU 99 -7.281 -8.759 15.244 757 3HD2 LEU 99 3HD2 LEU 99 -8.876 -7.971 15.277 758 H LYS 100 H LYS 100 -7.147 -3.118 11.325 759 HA LYS 100 HA LYS 100 -5.297 -4.420 9.588 760 1HB LYS 100 1HB LYS 100 -4.762 -2.181 8.857 761 2HB LYS 100 2HB LYS 100 -6.410 -2.245 9.247 762 1HG LYS 100 1HG LYS 100 -5.421 -0.140 9.982 763 2HG LYS 100 2HG LYS 100 -5.932 -1.030 11.437 764 1HD LYS 100 1HD LYS 100 -3.667 -1.522 11.949 765 2HD LYS 100 2HD LYS 100 -3.156 -1.154 10.287 766 1HE LYS 100 1HE LYS 100 -3.333 1.179 10.651 767 2HE LYS 100 2HE LYS 100 -4.104 0.939 12.237 768 1HZ LYS 100 1HZ LYS 100 -1.443 -0.159 11.645 769 2HZ LYS 100 2HZ LYS 100 -1.619 1.380 12.267 770 3HZ LYS 100 3HZ LYS 100 -2.145 0.043 13.096 771 H ILE 101 H ILE 101 -2.848 -4.091 9.820 772 HA ILE 101 HA ILE 101 -2.145 -4.782 12.598 773 HB ILE 101 HB ILE 101 -1.070 -5.673 9.929 774 1HG1 ILE 101 2HG1 ILE 101 -2.293 -7.102 12.288 775 2HG1 ILE 101 1HG1 ILE 101 -1.315 -7.936 11.088 776 1HG2 ILE 101 1HG2 ILE 101 0.307 -6.151 12.551 777 2HG2 ILE 101 2HG2 ILE 101 0.683 -6.913 10.982 778 3HG2 ILE 101 3HG2 ILE 101 0.896 -5.183 11.184 779 1HD1 ILE 101 1HD1 ILE 101 -2.862 -7.056 9.289 780 2HD1 ILE 101 2HD1 ILE 101 -3.544 -8.250 10.410 781 3HD1 ILE 101 3HD1 ILE 101 -3.948 -6.552 10.592 782 H THR 102 H THR 102 0.359 -4.199 13.022 783 HA THR 102 HA THR 102 0.249 -1.304 13.230 784 HB THR 102 HB THR 102 2.256 -1.829 14.756 785 HG1 THR 102 HG1 THR 102 2.933 -3.809 14.263 786 1HG2 THR 102 1HG2 THR 102 -0.124 -1.546 15.515 787 2HG2 THR 102 2HG2 THR 102 -0.431 -3.246 15.261 788 3HG2 THR 102 3HG2 THR 102 0.752 -2.747 16.487 789 H GLY 103 H GLY 103 3.068 -0.535 13.141 790 1HA GLY 103 1HA GLY 103 4.275 -1.310 10.723 791 2HA GLY 103 2HA GLY 103 3.115 -0.041 10.323 792 H ASN 104 H ASN 104 3.673 2.053 10.727 793 HA ASN 104 HA ASN 104 5.769 2.776 12.622 794 1HB ASN 104 1HB ASN 104 6.240 3.032 9.645 795 2HB ASN 104 2HB ASN 104 6.857 4.261 10.747 796 2HD2 ASN 104 1HD2 ASN 104 8.383 3.728 12.358 797 1HD2 ASN 104 2HD2 ASN 104 9.465 2.390 12.103 798 H MET 105 H MET 105 4.798 4.841 9.847 799 HA MET 105 HA MET 105 3.044 6.361 11.690 800 1HB MET 105 1HB MET 105 5.625 6.821 11.896 801 2HB MET 105 2HB MET 105 5.463 7.598 10.319 802 1HG MET 105 1HG MET 105 3.717 9.106 11.325 803 2HG MET 105 2HG MET 105 3.964 8.280 12.874 804 1HE MET 105 1HE MET 105 5.033 9.592 14.601 805 2HE MET 105 2HE MET 105 5.922 11.091 14.286 806 3HE MET 105 3HE MET 105 4.246 10.923 13.712 807 H GLY 106 H GLY 106 1.828 8.000 10.645 808 1HA GLY 106 1HA GLY 106 0.994 9.302 8.929 809 2HA GLY 106 2HA GLY 106 2.059 8.505 7.756 810 H LEU 107 H LEU 107 1.485 6.402 7.062 811 HA LEU 107 HA LEU 107 0.144 4.823 6.126 812 1HB LEU 107 1HB LEU 107 -0.405 4.773 9.097 813 2HB LEU 107 2HB LEU 107 -1.111 3.559 8.033 814 HG LEU 107 HG LEU 107 1.823 4.083 7.625 815 1HD1 LEU 107 1HD1 LEU 107 1.675 4.085 10.092 816 2HD1 LEU 107 2HD1 LEU 107 0.859 2.506 10.037 817 3HD1 LEU 107 3HD1 LEU 107 2.537 2.681 9.435 818 1HD2 LEU 107 1HD2 LEU 107 0.469 2.404 6.351 819 2HD2 LEU 107 2HD2 LEU 107 1.841 1.694 7.236 820 3HD2 LEU 107 3HD2 LEU 107 0.181 1.543 7.867 821 H ALA 108 H ALA 108 -2.159 6.058 8.438 822 HA ALA 108 HA ALA 108 -4.476 5.832 6.627 823 1HB ALA 108 1HB ALA 108 -4.093 7.092 9.372 824 2HB ALA 108 2HB ALA 108 -5.650 6.938 8.540 825 3HB ALA 108 3HB ALA 108 -4.742 5.488 9.044 826 H MET 109 H MET 109 -2.018 8.174 7.342 827 HA MET 109 HA MET 109 -3.360 10.239 5.677 828 1HB MET 109 1HB MET 109 -3.286 10.530 8.255 829 2HB MET 109 2HB MET 109 -1.571 10.907 8.025 830 1HG MET 109 1HG MET 109 -2.219 12.729 6.460 831 2HG MET 109 2HG MET 109 -3.904 12.231 6.574 832 1HE MET 109 1HE MET 109 -5.023 14.321 7.085 833 2HE MET 109 2HE MET 109 -4.472 15.551 8.237 834 3HE MET 109 3HE MET 109 -3.497 15.181 6.800 835 H LYS 110 H LYS 110 -1.495 8.122 4.803 836 HA LYS 110 HA LYS 110 1.103 9.130 4.390 837 1HB LYS 110 1HB LYS 110 1.442 7.095 3.393 838 2HB LYS 110 2HB LYS 110 0.293 6.763 4.644 839 1HG LYS 110 1HG LYS 110 -1.490 6.937 2.727 840 2HG LYS 110 2HG LYS 110 -0.114 6.785 1.631 841 1HD LYS 110 1HD LYS 110 0.157 4.704 3.589 842 2HD LYS 110 2HD LYS 110 -1.531 4.752 3.059 843 1HE LYS 110 1HE LYS 110 -0.705 4.743 0.670 844 2HE LYS 110 2HE LYS 110 0.930 4.489 1.286 845 1HZ LYS 110 1HZ LYS 110 -1.331 2.673 1.831 846 2HZ LYS 110 2HZ LYS 110 -0.235 2.447 0.635 847 3HZ LYS 110 3HZ LYS 110 0.255 2.427 2.215 848 H LEU 111 H LEU 111 -0.523 11.174 3.558 849 HA LEU 111 HA LEU 111 -0.874 12.697 1.982 850 1HB LEU 111 1HB LEU 111 0.889 13.229 0.466 851 2HB LEU 111 2HB LEU 111 1.543 12.852 2.025 852 HG LEU 111 HG LEU 111 1.515 10.622 0.007 853 1HD1 LEU 111 1HD1 LEU 111 2.166 12.595 -1.300 854 2HD1 LEU 111 2HD1 LEU 111 3.503 12.882 -0.184 855 3HD1 LEU 111 3HD1 LEU 111 3.432 11.391 -1.163 856 1HD2 LEU 111 1HD2 LEU 111 2.586 10.481 2.387 857 2HD2 LEU 111 2HD2 LEU 111 3.654 10.070 1.049 858 3HD2 LEU 111 3HD2 LEU 111 3.746 11.675 1.805 859 H GLN 112 H GLN 112 -0.729 13.054 -0.724 860 HA GLN 112 HA GLN 112 -2.654 11.024 -1.705 861 1HB GLN 112 1HB GLN 112 -2.169 13.900 -2.373 862 2HB GLN 112 2HB GLN 112 -2.356 12.823 -3.759 863 1HG GLN 112 1HG GLN 112 -4.452 11.878 -2.479 864 2HG GLN 112 2HG GLN 112 -4.361 13.388 -1.573 865 2HE2 GLN 112 1HE2 GLN 112 -5.015 15.365 -2.687 866 1HE2 GLN 112 2HE2 GLN 112 -5.743 15.287 -4.302 867 H ASN 113 H ASN 113 0.396 12.626 -2.832 868 HA ASN 113 HA ASN 113 0.730 10.909 -5.022 869 1HB ASN 113 1HB ASN 113 1.749 13.141 -4.763 870 2HB ASN 113 2HB ASN 113 2.772 12.572 -3.463 871 2HD2 ASN 113 1HD2 ASN 113 4.891 12.194 -4.072 872 1HD2 ASN 113 2HD2 ASN 113 5.366 11.752 -5.701 873 H LEU 114 H LEU 114 1.072 9.599 -1.939 874 HA LEU 114 HA LEU 114 2.970 7.521 -2.964 875 1HB LEU 114 1HB LEU 114 3.224 8.490 -0.575 876 2HB LEU 114 2HB LEU 114 1.742 7.630 -0.215 877 HG LEU 114 HG LEU 114 2.994 5.487 -1.049 878 1HD1 LEU 114 1HD1 LEU 114 4.885 6.623 -2.172 879 2HD1 LEU 114 2HD1 LEU 114 5.401 7.255 -0.610 880 3HD1 LEU 114 3HD1 LEU 114 5.415 5.503 -0.915 881 1HD2 LEU 114 1HD2 LEU 114 3.902 6.900 1.472 882 2HD2 LEU 114 2HD2 LEU 114 2.458 5.899 1.290 883 3HD2 LEU 114 3HD2 LEU 114 4.052 5.151 1.131 884 H GLN 115 H GLN 115 -0.084 8.362 -3.470 885 HA GLN 115 HA GLN 115 -1.218 5.738 -3.767 886 1HB GLN 115 1HB GLN 115 -2.307 7.918 -1.882 887 2HB GLN 115 2HB GLN 115 -3.302 6.624 -2.481 888 1HG GLN 115 1HG GLN 115 -1.451 5.046 -1.484 889 2HG GLN 115 2HG GLN 115 -1.040 6.478 -0.539 890 2HE2 GLN 115 1HE2 GLN 115 -3.368 3.865 -1.012 891 1HE2 GLN 115 2HE2 GLN 115 -4.336 4.251 0.394 892 H LEU 116 H LEU 116 -0.429 7.219 -5.892 893 HA LEU 116 HA LEU 116 -0.848 8.676 -7.545 894 1HB LEU 116 1HB LEU 116 -3.490 7.207 -7.244 895 2HB LEU 116 2HB LEU 116 -3.128 8.167 -8.668 896 HG LEU 116 HG LEU 116 -1.386 5.921 -7.713 897 1HD1 LEU 116 1HD1 LEU 116 -3.551 5.026 -8.319 898 2HD1 LEU 116 2HD1 LEU 116 -3.518 5.874 -9.882 899 3HD1 LEU 116 3HD1 LEU 116 -2.360 4.565 -9.541 900 1HD2 LEU 116 1HD2 LEU 116 -0.823 7.974 -9.575 901 2HD2 LEU 116 2HD2 LEU 116 0.068 6.515 -9.261 902 3HD2 LEU 116 3HD2 LEU 116 -1.164 6.544 -10.544 903 H GLN 117 H GLN 117 -2.691 10.017 -8.659 904 HA GLN 117 HA GLN 117 -4.079 11.815 -6.773 905 1HB GLN 117 1HB GLN 117 -1.744 12.572 -8.431 906 2HB GLN 117 2HB GLN 117 -3.172 13.454 -8.920 907 1HG GLN 117 1HG GLN 117 -3.564 14.081 -6.486 908 2HG GLN 117 2HG GLN 117 -2.012 13.345 -6.118 909 2HE2 GLN 117 1HE2 GLN 117 -0.074 14.377 -7.001 910 1HE2 GLN 117 2HE2 GLN 117 -0.098 16.055 -7.493 911 HA PRO 118 HA PRO 118 -7.021 11.369 -10.234 912 1HB PRO 118 1HB PRO 118 -8.527 13.614 -10.169 913 2HB PRO 118 2HB PRO 118 -8.529 12.468 -8.795 914 1HG PRO 118 2HG PRO 118 -7.928 14.537 -7.707 915 2HG PRO 118 1HG PRO 118 -6.906 15.025 -9.091 916 1HD PRO 118 1HD PRO 118 -5.231 14.115 -7.818 917 2HD PRO 118 2HD PRO 118 -6.334 13.006 -6.945 918 H GLY 119 H GLY 119 -7.737 12.688 -12.311 919 1HA GLY 119 1HA GLY 119 -7.324 14.385 -13.850 920 2HA GLY 119 2HA GLY 119 -5.662 14.568 -13.284 921 H ASN 120 H ASN 120 -7.862 12.197 -14.895 922 HA ASN 120 HA ASN 120 -5.799 11.768 -16.931 923 1HB ASN 120 1HB ASN 120 -5.508 9.935 -15.141 924 2HB ASN 120 2HB ASN 120 -7.102 9.346 -15.614 925 2HD2 ASN 120 1HD2 ASN 120 -3.704 9.748 -16.604 926 1HD2 ASN 120 2HD2 ASN 120 -3.824 8.753 -18.034 927 H ALA 121 H ALA 121 -6.750 11.006 -18.902 928 HA ALA 121 HA ALA 121 -8.178 11.292 -20.576 929 1HB ALA 121 1HB ALA 121 -9.291 9.280 -19.847 930 2HB ALA 121 3HB ALA 121 -10.480 10.445 -20.439 931 3HB ALA 121 2HB ALA 121 -10.296 10.199 -18.698 932 H LYS 122 H LYS 122 -7.960 13.489 -20.852 933 HA LYS 122 HA LYS 122 -10.297 15.076 -20.164 934 1HB LYS 122 1HB LYS 122 -8.940 17.009 -19.389 935 2HB LYS 122 2HB LYS 122 -8.925 15.649 -18.277 936 1HG LYS 122 1HG LYS 122 -6.659 15.022 -18.993 937 2HG LYS 122 2HG LYS 122 -6.668 16.300 -20.227 938 1HD LYS 122 1HD LYS 122 -6.794 18.029 -18.531 939 2HD LYS 122 2HD LYS 122 -6.997 16.815 -17.245 940 1HE LYS 122 1HE LYS 122 -4.756 15.933 -17.709 941 2HE LYS 122 2HE LYS 122 -4.523 17.105 -19.010 942 1HZ LYS 122 1HZ LYS 122 -5.014 17.911 -16.191 943 2HZ LYS 122 2HZ LYS 122 -3.523 17.692 -16.815 944 3HZ LYS 122 3HZ LYS 122 -4.481 18.865 -17.437 945 H LEU 123 H LEU 123 -10.299 17.072 -21.421 946 HA LEU 123 HA LEU 123 -10.379 18.173 -23.367 947 1HB LEU 123 1HB LEU 123 -7.590 17.115 -23.794 948 2HB LEU 123 2HB LEU 123 -8.416 18.131 -24.954 949 HG LEU 123 HG LEU 123 -8.632 19.188 -22.179 950 1HD1 LEU 123 1HD1 LEU 123 -5.910 18.902 -23.435 951 2HD1 LEU 123 2HD1 LEU 123 -6.321 20.076 -22.157 952 3HD1 LEU 123 3HD1 LEU 123 -6.456 18.320 -21.855 953 1HD2 LEU 123 1HD2 LEU 123 -9.359 20.422 -24.162 954 2HD2 LEU 123 2HD2 LEU 123 -8.099 21.292 -23.277 955 3HD2 LEU 123 3HD2 LEU 123 -7.697 20.435 -24.787 No H/Q in entry = 955 Start of MODEL 4 1 H SER 1 H SER 1 -3.545 -17.201 1.952 2 HA SER 1 HA SER 1 -3.616 -19.973 1.337 3 1HB SER 1 1HB SER 1 -4.409 -19.469 -1.109 4 2HB SER 1 2HB SER 1 -5.573 -19.822 0.162 5 HG SER 1 HG SER 1 -4.853 -17.212 -0.641 6 H SER 2 H SER 2 -2.161 -20.178 -0.950 7 HA SER 2 HA SER 2 0.191 -18.609 -0.798 8 1HB SER 2 1HB SER 2 -1.204 -19.876 -3.199 9 2HB SER 2 2HB SER 2 0.456 -19.271 -3.203 10 HG SER 2 HG SER 2 1.092 -21.041 -2.303 11 H ALA 3 H ALA 3 0.863 -16.821 -2.126 12 HA ALA 3 HA ALA 3 -1.033 -14.719 -2.617 13 1HB ALA 3 1HB ALA 3 1.423 -14.414 -2.122 14 2HB ALA 3 2HB ALA 3 1.787 -15.095 -3.723 15 3HB ALA 3 3HB ALA 3 0.895 -13.574 -3.575 16 H SER 4 H SER 4 -1.434 -13.783 -4.832 17 HA SER 4 HA SER 4 -1.322 -15.730 -7.051 18 1HB SER 4 1HB SER 4 -3.648 -15.393 -7.444 19 2HB SER 4 2HB SER 4 -3.411 -16.017 -5.803 20 HG SER 4 HG SER 4 -3.680 -13.888 -5.043 21 H ASP 5 H ASP 5 -1.426 -12.422 -5.968 22 HA ASP 5 HA ASP 5 -1.049 -10.402 -7.028 23 1HB ASP 5 2HB ASP 5 1.118 -10.482 -7.716 24 2HB ASP 5 1HB ASP 5 0.908 -11.984 -8.623 25 H GLY 6 H GLY 6 -3.100 -11.960 -8.575 26 1HA GLY 6 1HA GLY 6 -2.601 -10.981 -11.355 27 2HA GLY 6 2HA GLY 6 -3.693 -12.282 -10.893 28 H PHE 7 H PHE 7 -3.810 -9.388 -8.987 29 HA PHE 7 HA PHE 7 -6.574 -8.900 -9.833 30 1HB PHE 7 1HB PHE 7 -4.980 -7.404 -7.746 31 2HB PHE 7 2HB PHE 7 -6.720 -7.565 -7.847 32 HD1 PHE 7 HD1 PHE 7 -6.769 -10.668 -8.248 33 HD2 PHE 7 HD2 PHE 7 -4.570 -8.104 -5.564 34 HE1 PHE 7 HE1 PHE 7 -6.501 -12.543 -6.684 35 HE2 PHE 7 HE2 PHE 7 -4.387 -9.962 -3.964 36 HZ PHE 7 HZ PHE 7 -5.369 -12.190 -4.500 37 H LYS 8 H LYS 8 -7.165 -6.477 -9.858 38 HA LYS 8 HA LYS 8 -5.350 -5.124 -11.679 39 1HB LYS 8 1HB LYS 8 -8.067 -4.273 -10.664 40 2HB LYS 8 2HB LYS 8 -7.057 -3.363 -11.821 41 1HG LYS 8 1HG LYS 8 -6.843 -5.484 -13.196 42 2HG LYS 8 2HG LYS 8 -8.036 -6.241 -12.137 43 1HD LYS 8 1HD LYS 8 -9.800 -4.963 -12.974 44 2HD LYS 8 2HD LYS 8 -8.709 -3.775 -13.730 45 1HE LYS 8 1HE LYS 8 -9.629 -5.338 -15.437 46 2HE LYS 8 2HE LYS 8 -7.870 -5.442 -15.299 47 1HZ LYS 8 1HZ LYS 8 -8.240 -7.427 -13.853 48 2HZ LYS 8 2HZ LYS 8 -9.831 -7.386 -14.276 49 3HZ LYS 8 3HZ LYS 8 -8.655 -7.615 -15.411 50 H ALA 9 H ALA 9 -5.415 -5.508 -8.369 51 HA ALA 9 HA ALA 9 -4.273 -3.111 -7.434 52 1HB ALA 9 1HB ALA 9 -5.034 -5.119 -6.063 53 2HB ALA 9 2HB ALA 9 -3.531 -5.937 -6.579 54 3HB ALA 9 3HB ALA 9 -3.458 -4.442 -5.628 55 H ASN 10 H ASN 10 -2.907 -5.557 -9.586 56 HA ASN 10 HA ASN 10 -0.235 -5.364 -8.882 57 1HB ASN 10 1HB ASN 10 -1.483 -6.879 -10.661 58 2HB ASN 10 2HB ASN 10 -0.959 -5.650 -11.803 59 2HD2 ASN 10 1HD2 ASN 10 -0.079 -8.606 -10.436 60 1HD2 ASN 10 2HD2 ASN 10 1.586 -8.406 -10.138 61 H LEU 11 H LEU 11 -1.875 -3.351 -11.406 62 HA LEU 11 HA LEU 11 0.429 -1.656 -11.802 63 1HB LEU 11 1HB LEU 11 -0.562 -1.175 -13.590 64 2HB LEU 11 2HB LEU 11 -1.811 -2.293 -13.213 65 HG LEU 11 HG LEU 11 -2.762 -0.393 -14.071 66 1HD1 LEU 11 1HD1 LEU 11 -3.949 -1.358 -12.053 67 2HD1 LEU 11 2HD1 LEU 11 -3.403 0.098 -11.178 68 3HD1 LEU 11 3HD1 LEU 11 -4.429 0.257 -12.596 69 1HD2 LEU 11 1HD2 LEU 11 -0.881 1.145 -13.677 70 2HD2 LEU 11 2HD2 LEU 11 -2.456 1.889 -13.339 71 3HD2 LEU 11 3HD2 LEU 11 -1.410 1.371 -12.010 72 H VAL 12 H VAL 12 -2.281 -1.542 -9.598 73 HA VAL 12 HA VAL 12 -1.982 1.166 -8.759 74 HB VAL 12 HB VAL 12 -3.084 -1.247 -7.243 75 1HG1 VAL 12 1HG1 VAL 12 -3.250 1.702 -6.618 76 2HG1 VAL 12 2HG1 VAL 12 -4.275 0.462 -5.858 77 3HG1 VAL 12 3HG1 VAL 12 -2.522 0.443 -5.598 78 1HG2 VAL 12 1HG2 VAL 12 -4.444 1.018 -8.751 79 2HG2 VAL 12 2HG2 VAL 12 -4.372 -0.690 -9.263 80 3HG2 VAL 12 3HG2 VAL 12 -5.264 -0.245 -7.809 81 H PHE 13 H PHE 13 -0.630 -1.859 -7.237 82 HA PHE 13 HA PHE 13 0.818 -0.322 -5.288 83 1HB PHE 13 1HB PHE 13 1.281 -3.133 -6.325 84 2HB PHE 13 2HB PHE 13 2.110 -2.416 -4.941 85 HD1 PHE 13 HD1 PHE 13 0.265 -1.262 -3.167 86 HD2 PHE 13 HD2 PHE 13 -0.334 -4.693 -5.695 87 HE1 PHE 13 HE1 PHE 13 -1.431 -2.147 -1.565 88 HE2 PHE 13 HE2 PHE 13 -1.938 -5.610 -4.022 89 HZ PHE 13 HZ PHE 13 -2.520 -4.297 -1.995 90 H LYS 14 H LYS 14 1.556 -1.233 -8.634 91 HA LYS 14 HA LYS 14 4.315 -0.573 -8.473 92 1HB LYS 14 1HB LYS 14 2.942 -1.853 -10.184 93 2HB LYS 14 2HB LYS 14 2.628 -0.334 -10.954 94 1HG LYS 14 1HG LYS 14 5.059 0.140 -11.242 95 2HG LYS 14 2HG LYS 14 5.449 -1.328 -10.342 96 1HD LYS 14 1HD LYS 14 4.048 -2.604 -12.122 97 2HD LYS 14 2HD LYS 14 4.151 -1.133 -13.088 98 1HE LYS 14 1HE LYS 14 6.549 -2.624 -11.917 99 2HE LYS 14 2HE LYS 14 5.899 -2.946 -13.529 100 1HZ LYS 14 1HZ LYS 14 6.375 -0.656 -14.112 101 2HZ LYS 14 2HZ LYS 14 7.071 -0.380 -12.634 102 3HZ LYS 14 3HZ LYS 14 7.732 -1.446 -13.675 103 H GLU 15 H GLU 15 1.440 1.397 -9.210 104 HA GLU 15 HA GLU 15 2.843 3.774 -9.898 105 1HB GLU 15 1HB GLU 15 0.279 3.474 -8.262 106 2HB GLU 15 2HB GLU 15 0.896 5.034 -8.757 107 1HG GLU 15 1HG GLU 15 0.271 2.826 -10.731 108 2HG GLU 15 2HG GLU 15 -0.897 4.006 -10.166 109 H ILE 16 H ILE 16 2.441 2.333 -6.701 110 HA ILE 16 HA ILE 16 3.487 4.616 -5.233 111 HB ILE 16 HB ILE 16 3.048 1.660 -4.528 112 1HG1 ILE 16 1HG1 ILE 16 1.121 3.939 -3.931 113 2HG1 ILE 16 2HG1 ILE 16 0.881 2.839 -5.245 114 1HG2 ILE 16 1HG2 ILE 16 3.525 4.010 -2.706 115 2HG2 ILE 16 2HG2 ILE 16 3.074 2.370 -2.182 116 3HG2 ILE 16 3HG2 ILE 16 4.606 2.634 -3.008 117 1HD1 ILE 16 1HD1 ILE 16 1.011 0.924 -3.522 118 2HD1 ILE 16 2HD1 ILE 16 0.657 2.203 -2.334 119 3HD1 ILE 16 3HD1 ILE 16 -0.454 1.882 -3.681 120 H GLU 17 H GLU 17 4.655 1.409 -6.342 121 HA GLU 17 HA GLU 17 7.373 1.578 -5.650 122 1HB GLU 17 1HB GLU 17 6.351 -0.454 -6.642 123 2HB GLU 17 2HB GLU 17 6.100 0.416 -8.114 124 1HG GLU 17 1HG GLU 17 8.587 0.733 -8.373 125 2HG GLU 17 2HG GLU 17 8.822 -0.345 -7.006 126 H LYS 18 H LYS 18 5.834 2.857 -8.649 127 HA LYS 18 HA LYS 18 8.215 3.360 -9.855 128 1HB LYS 18 1HB LYS 18 5.975 3.391 -10.904 129 2HB LYS 18 2HB LYS 18 5.638 4.980 -10.226 130 1HG LYS 18 1HG LYS 18 8.101 4.551 -11.944 131 2HG LYS 18 2HG LYS 18 6.521 4.622 -12.713 132 1HD LYS 18 1HD LYS 18 6.092 6.851 -11.918 133 2HD LYS 18 2HD LYS 18 7.575 6.862 -10.929 134 1HE LYS 18 1HE LYS 18 8.979 6.649 -12.904 135 2HE LYS 18 2HE LYS 18 7.567 6.451 -13.943 136 1HZ LYS 18 1HZ LYS 18 6.918 8.714 -13.409 137 2HZ LYS 18 2HZ LYS 18 8.288 8.913 -12.466 138 3HZ LYS 18 3HZ LYS 18 8.405 8.638 -14.087 139 H LYS 19 H LYS 19 6.520 5.424 -7.557 140 HA LYS 19 HA LYS 19 8.276 7.710 -7.754 141 1HB LYS 19 1HB LYS 19 5.916 7.789 -6.771 142 2HB LYS 19 2HB LYS 19 6.477 6.802 -5.454 143 1HG LYS 19 1HG LYS 19 6.358 9.228 -4.899 144 2HG LYS 19 2HG LYS 19 7.898 8.477 -4.560 145 1HD LYS 19 1HD LYS 19 8.816 9.528 -6.695 146 2HD LYS 19 2HD LYS 19 7.249 10.343 -6.896 147 1HE LYS 19 1HE LYS 19 7.570 11.404 -4.668 148 2HE LYS 19 2HE LYS 19 9.104 10.556 -4.485 149 1HZ LYS 19 1HZ LYS 19 9.950 11.820 -6.394 150 2HZ LYS 19 2HZ LYS 19 8.521 12.616 -6.527 151 3HZ LYS 19 3HZ LYS 19 9.451 12.815 -5.203 152 H LEU 20 H LEU 20 8.108 4.819 -5.587 153 HA LEU 20 HA LEU 20 10.252 5.503 -3.912 154 1HB LEU 20 1HB LEU 20 8.517 3.240 -4.403 155 2HB LEU 20 2HB LEU 20 10.147 2.650 -4.328 156 HG LEU 20 HG LEU 20 9.682 4.620 -2.181 157 1HD1 LEU 20 1HD1 LEU 20 7.349 3.819 -2.543 158 2HD1 LEU 20 2HD1 LEU 20 7.894 2.194 -2.115 159 3HD1 LEU 20 3HD1 LEU 20 8.018 3.506 -0.927 160 1HD2 LEU 20 1HD2 LEU 20 11.493 2.863 -2.333 161 2HD2 LEU 20 2HD2 LEU 20 10.662 2.990 -0.791 162 3HD2 LEU 20 3HD2 LEU 20 10.244 1.672 -1.889 163 H GLU 21 H GLU 21 10.247 3.873 -7.098 164 HA GLU 21 HA GLU 21 13.048 3.391 -7.063 165 1HB GLU 21 1HB GLU 21 11.200 3.737 -9.419 166 2HB GLU 21 2HB GLU 21 12.838 3.052 -9.503 167 1HG GLU 21 1HG GLU 21 10.585 1.867 -7.765 168 2HG GLU 21 2HG GLU 21 10.861 1.414 -9.427 169 H GLU 22 H GLU 22 11.243 6.266 -8.416 170 HA GLU 22 HA GLU 22 13.538 7.589 -9.363 171 1HB GLU 22 1HB GLU 22 10.897 8.719 -8.344 172 2HB GLU 22 2HB GLU 22 12.163 9.612 -9.190 173 1HG GLU 22 1HG GLU 22 11.841 7.757 -11.036 174 2HG GLU 22 2HG GLU 22 10.271 7.545 -10.284 175 H GLU 23 H GLU 23 11.891 7.864 -6.188 176 HA GLU 23 HA GLU 23 14.345 8.847 -4.983 177 1HB GLU 23 1HB GLU 23 13.174 10.825 -6.088 178 2HB GLU 23 2HB GLU 23 11.864 10.609 -4.898 179 1HG GLU 23 1HG GLU 23 13.549 10.772 -3.087 180 2HG GLU 23 2HG GLU 23 14.829 10.863 -4.291 181 H GLY 24 H GLY 24 13.426 6.479 -4.415 182 1HA GLY 24 1HA GLY 24 11.603 6.126 -2.347 183 2HA GLY 24 2HA GLY 24 13.039 5.153 -2.639 184 H GLU 25 H GLU 25 14.988 7.273 -2.156 185 HA GLU 25 HA GLU 25 15.559 7.030 0.543 186 1HB GLU 25 1HB GLU 25 16.172 9.196 -1.493 187 2HB GLU 25 2HB GLU 25 16.810 9.322 0.139 188 1HG GLU 25 1HG GLU 25 17.241 6.669 -1.142 189 2HG GLU 25 2HG GLU 25 18.011 8.006 -1.988 190 H GLN 26 H GLN 26 13.510 9.580 -0.954 191 HA GLN 26 HA GLN 26 13.271 11.025 1.545 192 1HB GLN 26 1HB GLN 26 13.455 11.844 -0.895 193 2HB GLN 26 2HB GLN 26 11.736 11.531 -0.983 194 1HG GLN 26 1HG GLN 26 11.432 12.977 1.048 195 2HG GLN 26 2HG GLN 26 13.163 13.320 1.016 196 2HE2 GLN 26 1HE2 GLN 26 14.039 14.626 -0.741 197 1HE2 GLN 26 2HE2 GLN 26 12.941 15.447 -1.841 198 H PHE 27 H PHE 27 11.533 8.447 -0.053 199 HA PHE 27 HA PHE 27 9.031 8.740 1.483 200 1HB PHE 27 1HB PHE 27 10.131 7.130 -0.809 201 2HB PHE 27 2HB PHE 27 9.114 6.237 0.293 202 HD1 PHE 27 HD1 PHE 27 8.170 9.775 -0.203 203 HD2 PHE 27 HD2 PHE 27 7.719 5.785 -1.686 204 HE1 PHE 27 HE1 PHE 27 6.297 10.523 -1.603 205 HE2 PHE 27 HE2 PHE 27 5.800 6.501 -3.074 206 HZ PHE 27 HZ PHE 27 5.075 8.887 -3.029 207 H VAL 28 H VAL 28 12.026 6.786 1.440 208 HA VAL 28 HA VAL 28 11.526 4.884 3.429 209 HB VAL 28 HB VAL 28 13.968 6.311 2.347 210 1HG1 VAL 28 1HG1 VAL 28 13.966 4.302 4.601 211 2HG1 VAL 28 2HG1 VAL 28 15.369 4.540 3.539 212 3HG1 VAL 28 3HG1 VAL 28 14.773 5.883 4.509 213 1HG2 VAL 28 1HG2 VAL 28 12.648 4.384 1.098 214 2HG2 VAL 28 2HG2 VAL 28 14.406 4.455 1.117 215 3HG2 VAL 28 3HG2 VAL 28 13.589 3.337 2.191 216 H LYS 29 H LYS 29 12.843 8.219 3.671 217 HA LYS 29 HA LYS 29 13.214 8.137 6.418 218 1HB LYS 29 1HB LYS 29 13.095 10.223 4.339 219 2HB LYS 29 2HB LYS 29 12.523 10.834 5.876 220 1HG LYS 29 1HG LYS 29 15.174 9.376 5.592 221 2HG LYS 29 2HG LYS 29 14.986 11.102 5.368 222 1HD LYS 29 1HD LYS 29 15.741 10.882 7.567 223 2HD LYS 29 2HD LYS 29 14.030 11.277 7.698 224 1HE LYS 29 1HE LYS 29 13.539 8.864 8.130 225 2HE LYS 29 2HE LYS 29 15.271 8.497 7.984 226 1HZ LYS 29 1HZ LYS 29 15.611 9.950 9.901 227 2HZ LYS 29 2HZ LYS 29 14.006 10.262 9.979 228 3HZ LYS 29 3HZ LYS 29 14.540 8.734 10.272 229 H LYS 30 H LYS 30 10.121 8.003 4.955 230 HA LYS 30 HA LYS 30 8.811 9.431 7.132 231 1HB LYS 30 1HB LYS 30 7.672 8.258 4.576 232 2HB LYS 30 2HB LYS 30 6.763 9.161 5.800 233 1HG LYS 30 1HG LYS 30 8.278 11.080 5.527 234 2HG LYS 30 2HG LYS 30 9.180 10.228 4.265 235 1HD LYS 30 1HD LYS 30 7.046 10.149 2.915 236 2HD LYS 30 2HD LYS 30 6.323 11.216 4.136 237 1HE LYS 30 1HE LYS 30 8.770 11.817 2.441 238 2HE LYS 30 2HE LYS 30 7.155 12.509 2.220 239 1HZ LYS 30 1HZ LYS 30 7.408 13.566 4.412 240 2HZ LYS 30 2HZ LYS 30 8.900 12.912 4.586 241 3HZ LYS 30 3HZ LYS 30 8.616 14.020 3.421 242 H ILE 31 H ILE 31 8.421 6.241 5.574 243 HA ILE 31 HA ILE 31 6.897 5.143 7.839 244 HB ILE 31 HB ILE 31 7.976 4.158 5.192 245 1HG1 ILE 31 1HG1 ILE 31 5.088 4.048 6.017 246 2HG1 ILE 31 2HG1 ILE 31 5.743 5.658 5.832 247 1HG2 ILE 31 1HG2 ILE 31 6.436 2.536 7.242 248 2HG2 ILE 31 2HG2 ILE 31 6.709 2.050 5.577 249 3HG2 ILE 31 3HG2 ILE 31 8.096 2.193 6.657 250 1HD1 ILE 31 1HD1 ILE 31 5.939 3.535 3.684 251 2HD1 ILE 31 2HD1 ILE 31 4.712 4.807 3.763 252 3HD1 ILE 31 3HD1 ILE 31 6.436 5.230 3.571 253 H GLY 32 H GLY 32 10.306 4.890 6.588 254 1HA GLY 32 1HA GLY 32 12.142 3.889 7.363 255 2HA GLY 32 2HA GLY 32 11.585 4.415 8.947 256 H GLY 33 H GLY 33 10.675 1.724 6.553 257 1HA GLY 33 1HA GLY 33 11.466 -0.284 8.415 258 2HA GLY 33 2HA GLY 33 9.712 -0.073 8.473 259 H ILE 34 H ILE 34 10.153 -2.451 7.627 260 HA ILE 34 HA ILE 34 9.603 -2.261 4.719 261 HB ILE 34 HB ILE 34 10.605 -4.703 6.245 262 1HG1 ILE 34 2HG1 ILE 34 11.928 -2.778 4.428 263 2HG1 ILE 34 1HG1 ILE 34 12.071 -4.430 3.849 264 1HG2 ILE 34 1HG2 ILE 34 9.479 -4.425 3.434 265 2HG2 ILE 34 2HG2 ILE 34 10.300 -5.869 4.070 266 3HG2 ILE 34 3HG2 ILE 34 8.788 -5.343 4.783 267 1HD1 ILE 34 1HD1 ILE 34 12.853 -3.434 6.632 268 2HD1 ILE 34 2HD1 ILE 34 13.010 -5.115 6.045 269 3HD1 ILE 34 3HD1 ILE 34 13.962 -3.817 5.301 270 H PHE 35 H PHE 35 7.449 -2.693 4.305 271 HA PHE 35 HA PHE 35 6.035 -4.252 6.373 272 1HB PHE 35 2HB PHE 35 5.253 -2.053 6.731 273 2HB PHE 35 1HB PHE 35 3.972 -3.033 6.067 274 HD1 PHE 35 HD1 PHE 35 3.921 -2.907 3.261 275 HD2 PHE 35 HD2 PHE 35 5.371 0.118 5.968 276 HE1 PHE 35 HE1 PHE 35 3.412 -1.214 1.622 277 HE2 PHE 35 HE2 PHE 35 4.803 1.856 4.283 278 HZ PHE 35 HZ PHE 35 3.825 1.203 2.098 279 H ALA 36 H ALA 36 4.120 -5.316 5.585 280 HA ALA 36 HA ALA 36 4.154 -6.027 2.682 281 1HB ALA 36 2HB ALA 36 2.749 -7.999 3.568 282 2HB ALA 36 1HB ALA 36 3.266 -7.524 5.185 283 3HB ALA 36 3HB ALA 36 4.477 -8.017 3.981 284 H PHE 37 H PHE 37 2.233 -5.727 1.554 285 HA PHE 37 HA PHE 37 -0.092 -4.434 2.912 286 1HB PHE 37 1HB PHE 37 0.661 -4.901 -0.008 287 2HB PHE 37 2HB PHE 37 -0.895 -4.291 0.492 288 HD1 PHE 37 HD1 PHE 37 -0.127 -2.235 2.602 289 HD2 PHE 37 HD2 PHE 37 1.593 -3.156 -1.247 290 HE1 PHE 37 HE1 PHE 37 0.598 0.082 2.373 291 HE2 PHE 37 HE2 PHE 37 2.291 -0.823 -1.498 292 HZ PHE 37 HZ PHE 37 1.775 0.847 0.284 293 H LYS 38 H LYS 38 -1.273 -6.185 3.957 294 HA LYS 38 HA LYS 38 -1.327 -8.766 2.565 295 1HB LYS 38 1HB LYS 38 -1.385 -8.462 5.166 296 2HB LYS 38 2HB LYS 38 -3.035 -7.917 4.994 297 1HG LYS 38 2HG LYS 38 -3.496 -10.118 3.736 298 2HG LYS 38 1HG LYS 38 -3.239 -10.224 5.465 299 1HD LYS 38 2HD LYS 38 -0.928 -10.686 3.531 300 2HD LYS 38 1HD LYS 38 -2.091 -11.957 3.916 301 1HE LYS 38 1HE LYS 38 -0.523 -10.423 6.034 302 2HE LYS 38 2HE LYS 38 -1.616 -11.800 6.294 303 1HZ LYS 38 1HZ LYS 38 -0.037 -13.088 4.868 304 2HZ LYS 38 2HZ LYS 38 1.002 -11.803 4.946 305 3HZ LYS 38 3HZ LYS 38 0.586 -12.554 6.316 306 H VAL 39 H VAL 39 -2.444 -8.656 0.674 307 HA VAL 39 HA VAL 39 -5.070 -7.352 0.625 308 HB VAL 39 HB VAL 39 -4.067 -9.106 -1.601 309 1HG1 VAL 39 1HG1 VAL 39 -6.316 -7.876 -1.586 310 2HG1 VAL 39 2HG1 VAL 39 -5.417 -6.367 -1.655 311 3HG1 VAL 39 3HG1 VAL 39 -5.278 -7.533 -2.980 312 1HG2 VAL 39 1HG2 VAL 39 -2.999 -6.303 -1.065 313 2HG2 VAL 39 2HG2 VAL 39 -2.044 -7.784 -1.207 314 3HG2 VAL 39 3HG2 VAL 39 -2.880 -7.161 -2.623 315 H LYS 40 H LYS 40 -6.991 -8.571 1.078 316 HA LYS 40 HA LYS 40 -6.807 -11.448 0.478 317 1HB LYS 40 1HB LYS 40 -8.851 -11.755 2.011 318 2HB LYS 40 2HB LYS 40 -7.247 -11.566 2.645 319 1HG LYS 40 2HG LYS 40 -7.726 -9.264 3.377 320 2HG LYS 40 1HG LYS 40 -8.631 -10.517 4.200 321 1HD LYS 40 2HD LYS 40 -9.885 -9.087 1.858 322 2HD LYS 40 1HD LYS 40 -9.794 -8.300 3.441 323 1HE LYS 40 1HE LYS 40 -11.106 -11.004 2.957 324 2HE LYS 40 2HE LYS 40 -11.048 -10.115 4.488 325 1HZ LYS 40 1HZ LYS 40 -12.408 -8.354 3.378 326 2HZ LYS 40 2HZ LYS 40 -12.566 -9.353 2.040 327 3HZ LYS 40 3HZ LYS 40 -13.175 -9.789 3.434 328 H ASP 41 H ASP 41 -9.041 -12.182 -0.084 329 HA ASP 41 HA ASP 41 -10.932 -12.118 -1.451 330 1HB ASP 41 1HB ASP 41 -11.116 -10.646 0.790 331 2HB ASP 41 2HB ASP 41 -11.398 -9.347 -0.318 332 H GLY 42 H GLY 42 -8.916 -11.670 -3.091 333 1HA GLY 42 1HA GLY 42 -8.934 -9.193 -4.516 334 2HA GLY 42 2HA GLY 42 -8.316 -10.731 -5.117 335 HA PRO 43 HA PRO 43 -12.218 -9.555 -7.559 336 1HB PRO 43 1HB PRO 43 -10.836 -9.345 -10.017 337 2HB PRO 43 2HB PRO 43 -11.456 -8.024 -8.999 338 1HG PRO 43 1HG PRO 43 -8.652 -9.124 -9.140 339 2HG PRO 43 2HG PRO 43 -9.153 -7.439 -8.975 340 1HD PRO 43 1HD PRO 43 -8.348 -8.848 -6.797 341 2HD PRO 43 2HD PRO 43 -9.727 -7.725 -6.696 342 H GLY 44 H GLY 44 -10.258 -12.063 -6.959 343 1HA GLY 44 1HA GLY 44 -11.997 -13.865 -8.526 344 2HA GLY 44 2HA GLY 44 -10.285 -14.251 -8.374 345 H GLY 45 H GLY 45 -10.465 -13.037 -5.405 346 1HA GLY 45 1HA GLY 45 -11.647 -13.694 -3.453 347 2HA GLY 45 2HA GLY 45 -11.868 -15.314 -4.120 348 H LYS 46 H LYS 46 -8.945 -14.845 -5.182 349 HA LYS 46 HA LYS 46 -7.442 -16.213 -3.156 350 1HB LYS 46 1HB LYS 46 -6.656 -14.575 -5.603 351 2HB LYS 46 2HB LYS 46 -5.555 -15.653 -4.721 352 1HG LYS 46 1HG LYS 46 -7.022 -17.587 -5.303 353 2HG LYS 46 2HG LYS 46 -8.018 -16.474 -6.273 354 1HD LYS 46 1HD LYS 46 -5.983 -15.912 -7.605 355 2HD LYS 46 2HD LYS 46 -5.106 -17.187 -6.760 356 1HE LYS 46 1HE LYS 46 -7.722 -17.914 -8.041 357 2HE LYS 46 2HE LYS 46 -6.377 -17.546 -9.117 358 1HZ LYS 46 1HZ LYS 46 -6.194 -19.601 -6.998 359 2HZ LYS 46 2HZ LYS 46 -6.580 -19.893 -8.577 360 3HZ LYS 46 3HZ LYS 46 -5.115 -19.309 -8.195 361 H GLU 47 H GLU 47 -5.060 -15.023 -2.839 362 HA GLU 47 HA GLU 47 -5.471 -12.307 -1.737 363 1HB GLU 47 1HB GLU 47 -4.001 -12.776 0.080 364 2HB GLU 47 2HB GLU 47 -5.404 -13.836 0.177 365 1HG GLU 47 1HG GLU 47 -4.089 -15.749 -0.282 366 2HG GLU 47 2HG GLU 47 -2.825 -14.812 -1.080 367 H ALA 48 H ALA 48 -3.246 -11.204 -1.483 368 HA ALA 48 HA ALA 48 -1.053 -12.176 -3.173 369 1HB ALA 48 2HB ALA 48 -2.231 -9.437 -3.675 370 2HB ALA 48 1HB ALA 48 -2.320 -10.837 -4.784 371 3HB ALA 48 3HB ALA 48 -0.753 -10.139 -4.360 372 H THR 49 H THR 49 0.846 -10.545 -2.676 373 HA THR 49 HA THR 49 0.309 -8.569 -0.588 374 HB THR 49 HB THR 49 2.579 -10.636 -0.346 375 HG1 THR 49 HG1 THR 49 0.617 -11.376 0.491 376 1HG2 THR 49 1HG2 THR 49 2.015 -8.169 1.353 377 2HG2 THR 49 2HG2 THR 49 3.148 -9.464 1.796 378 3HG2 THR 49 3HG2 THR 49 3.459 -8.484 0.364 379 H TRP 50 H TRP 50 1.637 -6.757 -0.926 380 HA TRP 50 HA TRP 50 3.920 -7.021 -2.844 381 1HB TRP 50 1HB TRP 50 1.783 -4.932 -2.606 382 2HB TRP 50 2HB TRP 50 3.438 -4.329 -2.639 383 HD1 TRP 50 HD1 TRP 50 4.433 -3.991 -5.021 384 HE1 TRP 50 HE1 TRP 50 3.767 -4.637 -7.394 385 HE3 TRP 50 HE3 TRP 50 0.573 -7.098 -3.854 386 HZ2 TRP 50 HZ2 TRP 50 1.995 -6.613 -8.582 387 HZ3 TRP 50 HZ3 TRP 50 -0.632 -8.340 -5.623 388 HH2 TRP 50 HH2 TRP 50 0.064 -8.166 -7.954 389 H VAL 51 H VAL 51 5.883 -6.377 -1.858 390 HA VAL 51 HA VAL 51 5.732 -5.738 1.048 391 HB VAL 51 HB VAL 51 8.010 -6.953 -0.573 392 1HG1 VAL 51 1HG1 VAL 51 7.705 -6.509 2.430 393 2HG1 VAL 51 2HG1 VAL 51 9.023 -7.414 1.658 394 3HG1 VAL 51 3HG1 VAL 51 8.850 -5.682 1.352 395 1HG2 VAL 51 1HG2 VAL 51 6.074 -8.281 1.373 396 2HG2 VAL 51 2HG2 VAL 51 6.239 -8.630 -0.361 397 3HG2 VAL 51 3HG2 VAL 51 7.550 -9.034 0.743 398 H VAL 52 H VAL 52 6.855 -3.806 1.693 399 HA VAL 52 HA VAL 52 8.053 -2.217 -0.518 400 HB VAL 52 HB VAL 52 6.193 -1.087 1.583 401 1HG1 VAL 52 1HG1 VAL 52 7.559 0.150 -0.844 402 2HG1 VAL 52 2HG1 VAL 52 6.266 0.945 0.083 403 3HG1 VAL 52 3HG1 VAL 52 7.807 0.545 0.855 404 1HG2 VAL 52 1HG2 VAL 52 5.648 -1.754 -1.339 405 2HG2 VAL 52 2HG2 VAL 52 4.792 -2.365 0.076 406 3HG2 VAL 52 3HG2 VAL 52 4.637 -0.662 -0.373 407 H ASP 53 H ASP 53 10.150 -2.136 -0.039 408 HA ASP 53 HA ASP 53 11.029 -1.911 2.749 409 1HB ASP 53 1HB ASP 53 12.419 -2.896 0.561 410 2HB ASP 53 2HB ASP 53 12.829 -1.281 0.472 411 H VAL 54 H VAL 54 10.981 0.010 3.658 412 HA VAL 54 HA VAL 54 11.640 2.402 2.139 413 HB VAL 54 HB VAL 54 9.756 3.516 3.720 414 1HG1 VAL 54 1HG1 VAL 54 9.987 3.893 1.341 415 2HG1 VAL 54 2HG1 VAL 54 9.210 2.333 0.993 416 3HG1 VAL 54 3HG1 VAL 54 8.295 3.636 1.783 417 1HG2 VAL 54 1HG2 VAL 54 8.522 0.799 3.033 418 2HG2 VAL 54 2HG2 VAL 54 8.896 1.423 4.649 419 3HG2 VAL 54 3HG2 VAL 54 7.677 2.212 3.619 420 H LYS 55 H LYS 55 13.259 0.709 3.584 421 HA LYS 55 HA LYS 55 14.045 2.501 5.845 422 1HB LYS 55 1HB LYS 55 12.993 0.258 6.552 423 2HB LYS 55 2HB LYS 55 14.393 -0.516 5.830 424 1HG LYS 55 1HG LYS 55 15.823 0.999 7.392 425 2HG LYS 55 2HG LYS 55 14.295 1.471 8.149 426 1HD LYS 55 2HD LYS 55 13.868 -1.005 8.602 427 2HD LYS 55 1HD LYS 55 15.213 -0.269 9.494 428 1HE LYS 55 1HE LYS 55 15.509 -1.887 6.916 429 2HE LYS 55 2HE LYS 55 16.828 -1.140 7.828 430 1HZ LYS 55 1HZ LYS 55 16.289 -2.604 9.679 431 2HZ LYS 55 2HZ LYS 55 15.065 -3.302 8.840 432 3HZ LYS 55 3HZ LYS 55 16.597 -3.466 8.317 433 H ASN 56 H ASN 56 15.008 0.010 3.466 434 HA ASN 56 HA ASN 56 17.809 0.326 4.215 435 1HB ASN 56 1HB ASN 56 16.203 -1.488 2.362 436 2HB ASN 56 2HB ASN 56 17.922 -1.342 2.211 437 2HD2 ASN 56 1HD2 ASN 56 15.462 -2.882 3.957 438 1HD2 ASN 56 2HD2 ASN 56 16.536 -3.609 5.196 439 H GLY 57 H GLY 57 18.664 2.230 3.392 440 1HA GLY 57 1HA GLY 57 19.440 3.778 1.850 441 2HA GLY 57 2HA GLY 57 19.384 2.490 0.633 442 H LYS 58 H LYS 58 17.962 2.838 -1.009 443 HA LYS 58 HA LYS 58 15.831 4.865 -0.747 444 1HB LYS 58 1HB LYS 58 16.066 3.268 -3.237 445 2HB LYS 58 2HB LYS 58 15.660 4.947 -3.029 446 1HG LYS 58 1HG LYS 58 17.986 5.564 -2.847 447 2HG LYS 58 2HG LYS 58 18.517 3.885 -2.731 448 1HD LYS 58 1HD LYS 58 18.075 3.403 -4.961 449 2HD LYS 58 2HD LYS 58 16.960 4.743 -5.172 450 1HE LYS 58 1HE LYS 58 19.953 5.109 -4.691 451 2HE LYS 58 2HE LYS 58 19.210 5.006 -6.294 452 1HZ LYS 58 1HZ LYS 58 17.825 6.915 -5.701 453 2HZ LYS 58 2HZ LYS 58 18.631 7.088 -4.282 454 3HZ LYS 58 3HZ LYS 58 19.403 7.311 -5.699 455 H GLY 59 H GLY 59 16.080 1.634 -0.021 456 1HA GLY 59 1HA GLY 59 14.690 0.043 0.601 457 2HA GLY 59 2HA GLY 59 13.331 1.138 0.305 458 H SER 60 H SER 60 12.245 0.506 -1.191 459 HA SER 60 HA SER 60 11.661 0.744 -3.700 460 1HB SER 60 1HB SER 60 13.319 -1.817 -3.530 461 2HB SER 60 2HB SER 60 12.162 -1.468 -4.780 462 HG SER 60 HG SER 60 13.371 0.157 -5.595 463 H VAL 61 H VAL 61 9.861 -0.433 -4.368 464 HA VAL 61 HA VAL 61 8.434 -2.136 -2.438 465 HB VAL 61 HB VAL 61 7.882 -1.288 -5.291 466 1HG1 VAL 61 1HG1 VAL 61 6.045 -2.784 -3.393 467 2HG1 VAL 61 2HG1 VAL 61 5.544 -2.043 -4.930 468 3HG1 VAL 61 3HG1 VAL 61 6.710 -3.363 -4.942 469 1HG2 VAL 61 1HG2 VAL 61 7.676 0.625 -3.768 470 2HG2 VAL 61 2HG2 VAL 61 6.092 0.143 -4.381 471 3HG2 VAL 61 3HG2 VAL 61 6.558 -0.295 -2.744 472 H LEU 62 H LEU 62 8.121 -4.381 -2.909 473 HA LEU 62 HA LEU 62 9.854 -5.536 -5.031 474 1HB LEU 62 1HB LEU 62 9.524 -6.682 -2.251 475 2HB LEU 62 2HB LEU 62 10.603 -7.224 -3.516 476 HG LEU 62 HG LEU 62 11.305 -4.475 -2.859 477 1HD1 LEU 62 1HD1 LEU 62 10.991 -6.287 -0.430 478 2HD1 LEU 62 2HD1 LEU 62 11.945 -4.790 -0.468 479 3HD1 LEU 62 3HD1 LEU 62 10.206 -4.728 -0.715 480 1HD2 LEU 62 1HD2 LEU 62 12.740 -7.081 -2.347 481 2HD2 LEU 62 2HD2 LEU 62 12.815 -6.071 -3.813 482 3HD2 LEU 62 3HD2 LEU 62 13.437 -5.418 -2.301 483 HA PRO 63 HA PRO 63 5.604 -7.042 -5.385 484 1HB PRO 63 1HB PRO 63 5.727 -8.408 -7.740 485 2HB PRO 63 2HB PRO 63 5.764 -6.616 -7.657 486 1HG PRO 63 2HG PRO 63 7.776 -7.056 -8.864 487 2HG PRO 63 1HG PRO 63 8.098 -8.528 -7.919 488 1HD PRO 63 1HD PRO 63 9.476 -7.064 -6.705 489 2HD PRO 63 2HD PRO 63 8.450 -5.647 -7.071 490 H ASN 64 H ASN 64 4.601 -8.866 -4.682 491 HA ASN 64 HA ASN 64 4.278 -10.814 -3.652 492 1HB ASN 64 2HB ASN 64 4.305 -12.590 -5.098 493 2HB ASN 64 1HB ASN 64 5.869 -12.163 -5.793 494 2HD2 ASN 64 1HD2 ASN 64 4.768 -12.766 -7.798 495 1HD2 ASN 64 2HD2 ASN 64 3.840 -11.535 -8.632 496 H SER 65 H SER 65 6.821 -9.497 -2.781 497 HA SER 65 HA SER 65 8.912 -11.249 -3.257 498 1HB SER 65 1HB SER 65 9.023 -8.781 -2.880 499 2HB SER 65 2HB SER 65 8.904 -9.083 -1.133 500 HG SER 65 HG SER 65 10.980 -9.684 -2.956 501 H ASP 66 H ASP 66 10.111 -12.575 -2.086 502 HA ASP 66 HA ASP 66 9.147 -13.666 0.486 503 1HB ASP 66 1HB ASP 66 9.678 -15.272 -1.249 504 2HB ASP 66 2HB ASP 66 11.298 -14.599 -1.419 505 H LYS 67 H LYS 67 10.727 -10.951 -0.284 506 HA LYS 67 HA LYS 67 12.619 -10.953 1.970 507 1HB LYS 67 1HB LYS 67 12.377 -9.154 0.032 508 2HB LYS 67 2HB LYS 67 11.066 -8.535 1.048 509 1HG LYS 67 1HG LYS 67 12.765 -8.398 2.960 510 2HG LYS 67 2HG LYS 67 14.009 -8.863 1.783 511 1HD LYS 67 1HD LYS 67 13.103 -6.861 0.371 512 2HD LYS 67 2HD LYS 67 12.339 -6.324 1.867 513 1HE LYS 67 1HE LYS 67 15.315 -6.722 1.308 514 2HE LYS 67 2HE LYS 67 14.470 -5.176 1.457 515 1HZ LYS 67 1HZ LYS 67 14.068 -5.670 3.753 516 2HZ LYS 67 2HZ LYS 67 14.906 -7.133 3.621 517 3HZ LYS 67 3HZ LYS 67 15.669 -5.711 3.415 518 H LYS 68 H LYS 68 11.966 -10.904 4.054 519 HA LYS 68 HA LYS 68 9.131 -11.162 4.731 520 1HB LYS 68 2HB LYS 68 10.914 -12.307 6.027 521 2HB LYS 68 1HB LYS 68 9.944 -11.275 7.050 522 1HG LYS 68 1HG LYS 68 12.351 -9.938 5.899 523 2HG LYS 68 2HG LYS 68 11.670 -9.818 7.508 524 1HD LYS 68 1HD LYS 68 13.155 -12.299 6.512 525 2HD LYS 68 2HD LYS 68 13.963 -10.935 7.303 526 1HE LYS 68 1HE LYS 68 12.595 -11.185 9.287 527 2HE LYS 68 2HE LYS 68 11.636 -12.468 8.539 528 1HZ LYS 68 1HZ LYS 68 14.537 -12.765 8.835 529 2HZ LYS 68 2HZ LYS 68 13.527 -13.044 10.114 530 3HZ LYS 68 3HZ LYS 68 13.406 -13.929 8.691 531 H ALA 69 H ALA 69 8.725 -9.639 6.791 532 HA ALA 69 HA ALA 69 9.339 -6.820 6.223 533 1HB ALA 69 1HB ALA 69 7.197 -7.244 5.011 534 2HB ALA 69 2HB ALA 69 6.487 -7.894 6.518 535 3HB ALA 69 3HB ALA 69 6.951 -6.193 6.419 536 H ASP 70 H ASP 70 8.820 -5.395 8.131 537 HA ASP 70 HA ASP 70 9.116 -6.903 10.648 538 1HB ASP 70 1HB ASP 70 8.872 -4.617 11.621 539 2HB ASP 70 2HB ASP 70 10.386 -5.056 10.873 540 H CYS 71 H CYS 71 6.769 -4.827 8.989 541 HA CYS 71 HA CYS 71 4.625 -6.036 10.670 542 1HB CYS 71 1HB CYS 71 5.046 -3.068 10.166 543 2HB CYS 71 2HB CYS 71 3.569 -3.780 10.839 544 HG CYS 71 HG CYS 71 6.522 -4.436 12.088 545 H THR 72 H THR 72 2.383 -5.117 9.684 546 HA THR 72 HA THR 72 2.386 -5.501 6.772 547 HB THR 72 HB THR 72 0.960 -7.287 8.789 548 HG1 THR 72 HG1 THR 72 3.050 -7.972 8.639 549 1HG2 THR 72 1HG2 THR 72 0.931 -7.363 5.743 550 2HG2 THR 72 2HG2 THR 72 0.410 -8.696 6.794 551 3HG2 THR 72 3HG2 THR 72 -0.459 -7.185 6.849 552 H ILE 73 H ILE 73 -0.312 -5.346 6.211 553 HA ILE 73 HA ILE 73 -1.701 -3.832 8.262 554 HB ILE 73 HB ILE 73 -0.282 -2.272 6.597 555 1HG1 ILE 73 1HG1 ILE 73 -2.798 -1.884 8.027 556 2HG1 ILE 73 2HG1 ILE 73 -1.267 -1.103 8.112 557 1HG2 ILE 73 1HG2 ILE 73 -1.202 -3.361 4.573 558 2HG2 ILE 73 2HG2 ILE 73 -2.797 -2.680 4.938 559 3HG2 ILE 73 3HG2 ILE 73 -1.415 -1.613 4.588 560 1HD1 ILE 73 1HD1 ILE 73 -1.753 0.275 6.101 561 2HD1 ILE 73 2HD1 ILE 73 -3.337 -0.466 5.964 562 3HD1 ILE 73 3HD1 ILE 73 -2.949 0.513 7.389 563 H THR 74 H THR 74 -4.147 -4.127 7.841 564 HA THR 74 HA THR 74 -4.629 -6.264 5.734 565 HB THR 74 HB THR 74 -6.114 -5.388 8.226 566 HG1 THR 74 HG1 THR 74 -4.981 -6.784 9.232 567 1HG2 THR 74 1HG2 THR 74 -6.422 -7.758 6.285 568 2HG2 THR 74 2HG2 THR 74 -7.279 -7.658 7.850 569 3HG2 THR 74 3HG2 THR 74 -7.619 -6.483 6.574 570 H MET 75 H MET 75 -5.548 -5.754 3.958 571 HA MET 75 HA MET 75 -7.969 -4.178 3.974 572 1HB MET 75 1HB MET 75 -5.409 -3.003 2.917 573 2HB MET 75 2HB MET 75 -6.841 -2.882 1.890 574 1HG MET 75 1HG MET 75 -8.069 -2.011 3.994 575 2HG MET 75 2HG MET 75 -6.472 -1.802 4.699 576 1HE MET 75 1HE MET 75 -4.565 -0.586 3.335 577 2HE MET 75 2HE MET 75 -4.901 1.080 2.819 578 3HE MET 75 3HE MET 75 -5.226 0.589 4.492 579 H ALA 76 H ALA 76 -9.138 -5.482 2.976 580 HA ALA 76 HA ALA 76 -8.585 -7.480 1.037 581 1HB ALA 76 1HB ALA 76 -10.918 -6.877 2.005 582 2HB ALA 76 2HB ALA 76 -10.961 -5.590 0.800 583 3HB ALA 76 3HB ALA 76 -10.869 -7.265 0.267 584 H ASP 77 H ASP 77 -8.916 -7.395 -1.395 585 HA ASP 77 HA ASP 77 -7.628 -5.268 -2.823 586 1HB ASP 77 1HB ASP 77 -8.191 -7.476 -3.720 587 2HB ASP 77 2HB ASP 77 -9.889 -7.083 -3.759 588 H SER 78 H SER 78 -10.934 -6.005 -2.289 589 HA SER 78 HA SER 78 -12.041 -3.597 -3.433 590 1HB SER 78 1HB SER 78 -13.149 -5.965 -2.932 591 2HB SER 78 2HB SER 78 -13.675 -5.151 -1.446 592 HG SER 78 HG SER 78 -15.226 -4.714 -2.833 593 H ASP 79 H ASP 79 -10.239 -3.758 -0.881 594 HA ASP 79 HA ASP 79 -11.330 -1.358 0.572 595 1HB ASP 79 1HB ASP 79 -9.904 -3.759 1.484 596 2HB ASP 79 2HB ASP 79 -8.955 -2.329 1.792 597 H PHE 80 H PHE 80 -8.178 -2.817 -0.462 598 HA PHE 80 HA PHE 80 -6.662 -0.452 -0.507 599 1HB PHE 80 1HB PHE 80 -6.415 -3.250 -1.633 600 2HB PHE 80 2HB PHE 80 -5.333 -2.063 -2.257 601 HD1 PHE 80 HD1 PHE 80 -4.515 -0.418 0.060 602 HD2 PHE 80 HD2 PHE 80 -5.137 -4.667 -0.300 603 HE1 PHE 80 HE1 PHE 80 -2.769 -0.826 1.769 604 HE2 PHE 80 HE2 PHE 80 -3.426 -5.073 1.420 605 HZ PHE 80 HZ PHE 80 -2.229 -3.162 2.461 606 H LEU 81 H LEU 81 -8.379 -2.052 -3.220 607 HA LEU 81 HA LEU 81 -7.495 -0.205 -5.239 608 1HB LEU 81 1HB LEU 81 -9.230 -2.580 -5.001 609 2HB LEU 81 2HB LEU 81 -10.052 -1.352 -5.860 610 HG LEU 81 HG LEU 81 -8.876 -2.942 -7.257 611 1HD1 LEU 81 1HD1 LEU 81 -9.205 -0.664 -8.134 612 2HD1 LEU 81 2HD1 LEU 81 -7.555 -0.241 -7.579 613 3HD1 LEU 81 3HD1 LEU 81 -7.803 -1.493 -8.816 614 1HD2 LEU 81 1HD2 LEU 81 -7.030 -3.441 -5.723 615 2HD2 LEU 81 2HD2 LEU 81 -6.488 -3.060 -7.351 616 3HD2 LEU 81 3HD2 LEU 81 -6.291 -1.860 -6.070 617 H ALA 82 H ALA 82 -10.106 -0.351 -2.925 618 HA ALA 82 HA ALA 82 -11.809 1.634 -4.145 619 1HB ALA 82 3HB ALA 82 -13.144 1.472 -2.162 620 2HB ALA 82 1HB ALA 82 -12.616 -0.151 -2.601 621 3HB ALA 82 2HB ALA 82 -11.846 0.706 -1.249 622 H LEU 83 H LEU 83 -9.296 1.652 -1.712 623 HA LEU 83 HA LEU 83 -9.216 4.199 -0.709 624 1HB LEU 83 1HB LEU 83 -7.802 2.248 -0.158 625 2HB LEU 83 2HB LEU 83 -6.838 2.533 -1.590 626 HG LEU 83 HG LEU 83 -7.109 4.724 0.467 627 1HD1 LEU 83 1HD1 LEU 83 -5.214 2.322 0.563 628 2HD1 LEU 83 2HD1 LEU 83 -5.119 3.752 1.618 629 3HD1 LEU 83 3HD1 LEU 83 -6.515 2.686 1.721 630 1HD2 LEU 83 1HD2 LEU 83 -4.852 3.894 -1.403 631 2HD2 LEU 83 2HD2 LEU 83 -5.916 5.301 -1.624 632 3HD2 LEU 83 3HD2 LEU 83 -4.809 5.253 -0.272 633 H MET 84 H MET 84 -7.028 3.423 -3.484 634 HA MET 84 HA MET 84 -7.288 6.135 -4.458 635 1HB MET 84 1HB MET 84 -5.749 5.307 -6.260 636 2HB MET 84 2HB MET 84 -5.147 5.375 -4.626 637 1HG MET 84 1HG MET 84 -6.237 2.742 -5.500 638 2HG MET 84 2HG MET 84 -4.741 3.289 -6.260 639 1HE MET 84 1HE MET 84 -2.743 4.412 -4.695 640 2HE MET 84 2HE MET 84 -2.116 3.394 -3.383 641 3HE MET 84 3HE MET 84 -2.207 2.767 -5.019 642 H THR 85 H THR 85 -9.792 5.295 -4.422 643 HA THR 85 HA THR 85 -10.257 6.035 -7.213 644 HB THR 85 HB THR 85 -12.576 4.814 -7.085 645 HG1 THR 85 HG1 THR 85 -11.846 3.888 -4.918 646 1HG2 THR 85 1HG2 THR 85 -10.751 4.414 -8.775 647 2HG2 THR 85 2HG2 THR 85 -10.133 3.137 -7.705 648 3HG2 THR 85 3HG2 THR 85 -11.758 3.011 -8.407 649 H GLY 86 H GLY 86 -10.557 6.758 -3.943 650 1HA GLY 86 1HA GLY 86 -11.761 8.424 -2.875 651 2HA GLY 86 2HA GLY 86 -12.583 8.814 -4.390 652 H LYS 87 H LYS 87 -12.381 6.260 -1.896 653 HA LYS 87 HA LYS 87 -15.344 6.089 -1.903 654 1HB LYS 87 1HB LYS 87 -14.197 4.274 -3.404 655 2HB LYS 87 2HB LYS 87 -13.607 3.610 -1.888 656 1HG LYS 87 1HG LYS 87 -15.523 2.357 -2.550 657 2HG LYS 87 2HG LYS 87 -16.040 3.323 -1.162 658 1HD LYS 87 1HD LYS 87 -17.029 4.973 -2.734 659 2HD LYS 87 2HD LYS 87 -16.538 3.995 -4.111 660 1HE LYS 87 1HE LYS 87 -18.454 3.059 -1.918 661 2HE LYS 87 2HE LYS 87 -18.964 3.900 -3.387 662 1HZ LYS 87 1HZ LYS 87 -18.002 2.094 -4.675 663 2HZ LYS 87 2HZ LYS 87 -17.692 1.237 -3.286 664 3HZ LYS 87 3HZ LYS 87 -19.238 1.619 -3.728 665 H MET 88 H MET 88 -12.317 5.980 -0.186 666 HA MET 88 HA MET 88 -13.720 5.741 2.387 667 1HB MET 88 1HB MET 88 -11.815 4.349 3.243 668 2HB MET 88 2HB MET 88 -12.960 3.509 2.216 669 1HG MET 88 1HG MET 88 -11.463 3.041 0.605 670 2HG MET 88 2HG MET 88 -10.657 4.593 0.726 671 1HE MET 88 1HE MET 88 -8.580 5.143 1.982 672 2HE MET 88 2HE MET 88 -9.405 4.946 3.529 673 3HE MET 88 3HE MET 88 -7.834 4.156 3.252 674 H ASN 89 H ASN 89 -13.472 8.048 2.424 675 HA ASN 89 HA ASN 89 -10.858 9.235 2.108 676 1HB ASN 89 1HB ASN 89 -12.902 10.555 1.950 677 2HB ASN 89 2HB ASN 89 -13.195 10.366 3.678 678 2HD2 ASN 89 1HD2 ASN 89 -13.099 12.883 2.834 679 1HD2 ASN 89 2HD2 ASN 89 -11.568 13.644 3.257 680 HA PRO 90 HA PRO 90 -10.180 8.448 6.790 681 1HB PRO 90 1HB PRO 90 -11.891 6.809 8.181 682 2HB PRO 90 2HB PRO 90 -12.126 8.580 8.064 683 1HG PRO 90 1HG PRO 90 -13.434 6.421 6.387 684 2HG PRO 90 2HG PRO 90 -14.217 7.787 7.248 685 1HD PRO 90 1HD PRO 90 -13.627 7.947 4.623 686 2HD PRO 90 2HD PRO 90 -13.397 9.359 5.689 687 H GLN 91 H GLN 91 -8.775 6.717 7.339 688 HA GLN 91 HA GLN 91 -8.259 4.661 5.523 689 1HB GLN 91 1HB GLN 91 -6.652 5.424 7.259 690 2HB GLN 91 2HB GLN 91 -7.654 4.678 8.507 691 1HG GLN 91 1HG GLN 91 -7.328 2.449 7.126 692 2HG GLN 91 2HG GLN 91 -6.006 3.305 6.347 693 2HE2 GLN 91 1HE2 GLN 91 -4.708 4.647 8.314 694 1HE2 GLN 91 2HE2 GLN 91 -4.241 3.598 9.624 695 H SER 92 H SER 92 -9.708 3.136 4.924 696 HA SER 92 HA SER 92 -11.923 2.315 6.215 697 1HB SER 92 1HB SER 92 -11.399 1.920 3.858 698 2HB SER 92 2HB SER 92 -10.276 0.620 4.303 699 HG SER 92 HG SER 92 -12.048 -0.475 3.960 700 H ALA 93 H ALA 93 -8.685 0.530 6.573 701 HA ALA 93 HA ALA 93 -9.951 -1.607 7.940 702 1HB ALA 93 1HB ALA 93 -7.639 -1.568 6.814 703 2HB ALA 93 3HB ALA 93 -7.681 -2.360 8.394 704 3HB ALA 93 2HB ALA 93 -7.031 -0.709 8.233 705 H PHE 94 H PHE 94 -8.382 1.329 9.284 706 HA PHE 94 HA PHE 94 -8.755 0.572 12.020 707 1HB PHE 94 1HB PHE 94 -7.287 2.419 11.251 708 2HB PHE 94 2HB PHE 94 -8.687 3.342 10.739 709 HD1 PHE 94 HD1 PHE 94 -10.493 3.896 12.681 710 HD2 PHE 94 HD2 PHE 94 -6.351 2.849 13.356 711 HE1 PHE 94 HE1 PHE 94 -10.574 4.974 14.876 712 HE2 PHE 94 HE2 PHE 94 -6.452 3.962 15.568 713 HZ PHE 94 HZ PHE 94 -8.551 5.035 16.327 714 H PHE 95 H PHE 95 -10.731 2.363 9.640 715 HA PHE 95 HA PHE 95 -12.815 3.190 11.298 716 1HB PHE 95 1HB PHE 95 -12.269 4.152 9.125 717 2HB PHE 95 2HB PHE 95 -12.757 2.674 8.312 718 HD1 PHE 95 HD1 PHE 95 -14.027 5.398 10.538 719 HD2 PHE 95 HD2 PHE 95 -14.991 2.411 7.577 720 HE1 PHE 95 HE1 PHE 95 -16.320 6.333 10.344 721 HE2 PHE 95 HE2 PHE 95 -17.275 3.329 7.401 722 HZ PHE 95 HZ PHE 95 -17.945 5.301 8.778 723 H GLN 96 H GLN 96 -12.940 0.310 8.972 724 HA GLN 96 HA GLN 96 -15.430 -0.550 10.001 725 1HB GLN 96 1HB GLN 96 -14.938 -2.601 8.759 726 2HB GLN 96 2HB GLN 96 -14.634 -1.146 7.834 727 1HG GLN 96 1HG GLN 96 -12.120 -1.638 8.599 728 2HG GLN 96 2HG GLN 96 -12.735 -3.250 8.689 729 2HE2 GLN 96 1HE2 GLN 96 -10.832 -1.940 6.633 730 1HE2 GLN 96 2HE2 GLN 96 -11.543 -2.448 5.137 731 H GLY 97 H GLY 97 -12.078 -1.106 11.042 732 1HA GLY 97 1HA GLY 97 -11.560 -1.598 13.225 733 2HA GLY 97 2HA GLY 97 -13.151 -2.267 13.501 734 H LYS 98 H LYS 98 -11.472 -3.606 10.688 735 HA LYS 98 HA LYS 98 -11.944 -6.197 11.762 736 1HB LYS 98 1HB LYS 98 -10.335 -5.277 9.344 737 2HB LYS 98 2HB LYS 98 -10.546 -6.983 9.739 738 1HG LYS 98 1HG LYS 98 -12.927 -5.173 9.428 739 2HG LYS 98 2HG LYS 98 -12.110 -5.860 8.011 740 1HD LYS 98 1HD LYS 98 -12.850 -8.023 8.508 741 2HD LYS 98 2HD LYS 98 -12.941 -7.700 10.234 742 1HE LYS 98 2HE LYS 98 -14.932 -6.200 9.843 743 2HE LYS 98 1HE LYS 98 -15.176 -7.914 9.613 744 1HZ LYS 98 1HZ LYS 98 -14.765 -6.030 7.358 745 2HZ LYS 98 2HZ LYS 98 -15.061 -7.621 7.253 746 3HZ LYS 98 3HZ LYS 98 -16.187 -6.610 7.891 747 H LEU 99 H LEU 99 -8.715 -5.291 10.618 748 HA LEU 99 HA LEU 99 -7.410 -5.595 13.107 749 1HB LEU 99 1HB LEU 99 -7.953 -7.962 12.862 750 2HB LEU 99 2HB LEU 99 -7.241 -8.022 11.261 751 HG LEU 99 HG LEU 99 -5.047 -7.985 12.095 752 1HD1 LEU 99 1HD1 LEU 99 -6.150 -6.728 14.616 753 2HD1 LEU 99 2HD1 LEU 99 -4.504 -7.391 14.510 754 3HD1 LEU 99 3HD1 LEU 99 -4.975 -6.040 13.490 755 1HD2 LEU 99 1HD2 LEU 99 -6.335 -10.014 12.684 756 2HD2 LEU 99 2HD2 LEU 99 -5.007 -9.694 13.831 757 3HD2 LEU 99 3HD2 LEU 99 -6.679 -9.317 14.281 758 H LYS 100 H LYS 100 -6.874 -3.496 11.877 759 HA LYS 100 HA LYS 100 -5.007 -3.782 9.634 760 1HB LYS 100 2HB LYS 100 -6.576 -1.849 10.139 761 2HB LYS 100 1HB LYS 100 -5.005 -1.484 9.509 762 1HG LYS 100 2HG LYS 100 -5.770 0.113 11.193 763 2HG LYS 100 1HG LYS 100 -4.331 -0.717 11.753 764 1HD LYS 100 1HD LYS 100 -7.177 -1.103 12.723 765 2HD LYS 100 2HD LYS 100 -5.805 -2.124 13.253 766 1HE LYS 100 1HE LYS 100 -4.581 -0.035 13.893 767 2HE LYS 100 2HE LYS 100 -6.029 0.900 13.540 768 1HZ LYS 100 1HZ LYS 100 -5.905 -1.254 15.569 769 2HZ LYS 100 2HZ LYS 100 -5.663 0.327 15.881 770 3HZ LYS 100 3HZ LYS 100 -7.137 -0.159 15.368 771 H ILE 101 H ILE 101 -2.678 -2.759 9.988 772 HA ILE 101 HA ILE 101 -1.613 -3.437 12.623 773 HB ILE 101 HB ILE 101 -0.948 -4.898 10.058 774 1HG1 ILE 101 1HG1 ILE 101 -2.771 -5.911 11.321 775 2HG1 ILE 101 2HG1 ILE 101 -1.372 -6.940 11.190 776 1HG2 ILE 101 1HG2 ILE 101 0.719 -4.966 12.595 777 2HG2 ILE 101 2HG2 ILE 101 0.856 -6.113 11.234 778 3HG2 ILE 101 3HG2 ILE 101 1.231 -4.412 10.997 779 1HD1 ILE 101 1HD1 ILE 101 -2.053 -5.329 13.693 780 2HD1 ILE 101 2HD1 ILE 101 -2.413 -7.037 13.428 781 3HD1 ILE 101 3HD1 ILE 101 -0.732 -6.505 13.506 782 H THR 102 H THR 102 0.898 -2.845 12.537 783 HA THR 102 HA THR 102 2.425 -1.282 12.479 784 HB THR 102 HB THR 102 1.452 -0.211 9.820 785 HG1 THR 102 HG1 THR 102 1.563 -2.391 9.445 786 1HG2 THR 102 1HG2 THR 102 4.248 -0.631 10.989 787 2HG2 THR 102 2HG2 THR 102 3.916 -0.085 9.346 788 3HG2 THR 102 3HG2 THR 102 3.470 0.938 10.707 789 H GLY 103 H GLY 103 2.757 1.233 12.514 790 1HA GLY 103 1HA GLY 103 0.316 2.897 12.711 791 2HA GLY 103 2HA GLY 103 1.168 2.549 14.215 792 H ASN 104 H ASN 104 3.188 2.889 11.365 793 HA ASN 104 HA ASN 104 4.511 5.132 12.681 794 1HB ASN 104 1HB ASN 104 5.256 3.404 10.283 795 2HB ASN 104 2HB ASN 104 6.223 4.763 10.793 796 2HD2 ASN 104 1HD2 ASN 104 6.507 1.612 11.038 797 1HD2 ASN 104 2HD2 ASN 104 7.085 1.426 12.671 798 H MET 105 H MET 105 2.051 6.047 11.845 799 HA MET 105 HA MET 105 0.902 7.369 10.271 800 1HB MET 105 1HB MET 105 2.918 8.916 11.891 801 2HB MET 105 2HB MET 105 1.844 9.748 10.770 802 1HG MET 105 1HG MET 105 0.637 9.899 12.674 803 2HG MET 105 2HG MET 105 -0.109 8.544 11.855 804 1HE MET 105 1HE MET 105 1.490 9.967 14.977 805 2HE MET 105 2HE MET 105 2.158 8.580 15.861 806 3HE MET 105 3HE MET 105 2.956 9.154 14.384 807 H GLY 106 H GLY 106 1.886 6.127 8.379 808 1HA GLY 106 1HA GLY 106 2.162 8.001 6.324 809 2HA GLY 106 2HA GLY 106 3.817 7.497 6.716 810 H LEU 107 H LEU 107 2.641 4.650 7.308 811 HA LEU 107 HA LEU 107 2.443 3.696 4.544 812 1HB LEU 107 2HB LEU 107 3.548 2.333 6.253 813 2HB LEU 107 1HB LEU 107 2.257 1.512 5.418 814 HG LEU 107 HG LEU 107 2.506 0.950 7.785 815 1HD1 LEU 107 1HD1 LEU 107 3.106 3.205 8.641 816 2HD1 LEU 107 2HD1 LEU 107 1.390 3.689 8.469 817 3HD1 LEU 107 3HD1 LEU 107 1.831 2.394 9.575 818 1HD2 LEU 107 1HD2 LEU 107 0.379 0.581 6.623 819 2HD2 LEU 107 2HD2 LEU 107 0.181 0.793 8.356 820 3HD2 LEU 107 3HD2 LEU 107 -0.262 2.101 7.255 821 H ALA 108 H ALA 108 0.303 5.128 6.758 822 HA ALA 108 HA ALA 108 -2.122 3.746 5.888 823 1HB ALA 108 1HB ALA 108 -1.528 6.040 7.783 824 2HB ALA 108 3HB ALA 108 -2.127 4.416 8.166 825 3HB ALA 108 2HB ALA 108 -3.182 5.569 7.332 826 H MET 109 H MET 109 -1.613 7.288 6.106 827 HA MET 109 HA MET 109 -2.039 7.595 3.198 828 1HB MET 109 1HB MET 109 -4.276 7.619 4.414 829 2HB MET 109 2HB MET 109 -3.735 9.043 5.292 830 1HG MET 109 1HG MET 109 -3.489 10.282 3.189 831 2HG MET 109 2HG MET 109 -3.832 8.820 2.252 832 1HE MET 109 1HE MET 109 -5.557 10.214 0.851 833 2HE MET 109 2HE MET 109 -6.974 11.032 1.540 834 3HE MET 109 3HE MET 109 -5.346 11.670 1.852 835 H LYS 110 H LYS 110 0.113 8.310 3.089 836 HA LYS 110 HA LYS 110 1.006 10.406 4.943 837 1HB LYS 110 1HB LYS 110 2.566 8.621 4.134 838 2HB LYS 110 2HB LYS 110 2.508 9.327 2.538 839 1HG LYS 110 1HG LYS 110 4.467 10.119 3.629 840 2HG LYS 110 2HG LYS 110 3.396 11.507 3.558 841 1HD LYS 110 1HD LYS 110 3.415 9.744 6.023 842 2HD LYS 110 2HD LYS 110 4.728 10.869 5.785 843 1HE LYS 110 1HE LYS 110 3.402 12.760 5.993 844 2HE LYS 110 2HE LYS 110 1.897 11.931 5.628 845 1HZ LYS 110 1HZ LYS 110 3.378 11.184 8.051 846 2HZ LYS 110 2HZ LYS 110 2.491 12.558 8.013 847 3HZ LYS 110 3HZ LYS 110 1.753 11.128 7.772 848 H LEU 111 H LEU 111 0.511 10.203 1.374 849 HA LEU 111 HA LEU 111 -0.454 12.904 1.341 850 1HB LEU 111 2HB LEU 111 1.948 13.450 1.321 851 2HB LEU 111 1HB LEU 111 1.145 13.912 -0.146 852 HG LEU 111 HG LEU 111 2.109 11.571 -1.065 853 1HD1 LEU 111 1HD1 LEU 111 2.622 13.809 -1.975 854 2HD1 LEU 111 2HD1 LEU 111 3.828 14.051 -0.696 855 3HD1 LEU 111 3HD1 LEU 111 4.061 12.783 -1.915 856 1HD2 LEU 111 1HD2 LEU 111 4.076 12.277 1.147 857 2HD2 LEU 111 2HD2 LEU 111 3.121 10.785 1.010 858 3HD2 LEU 111 3HD2 LEU 111 4.374 11.134 -0.173 859 H GLN 112 H GLN 112 0.137 13.133 -1.608 860 HA GLN 112 HA GLN 112 -1.898 11.252 -2.551 861 1HB GLN 112 2HB GLN 112 -2.356 12.654 -4.255 862 2HB GLN 112 1HB GLN 112 -0.697 13.214 -4.450 863 1HG GLN 112 1HG GLN 112 -2.417 14.026 -2.081 864 2HG GLN 112 2HG GLN 112 -0.873 14.721 -2.596 865 2HE2 GLN 112 1HE2 GLN 112 -0.871 16.119 -4.539 866 1HE2 GLN 112 2HE2 GLN 112 -2.343 16.885 -5.047 867 H ASN 113 H ASN 113 1.380 12.230 -3.844 868 HA ASN 113 HA ASN 113 1.595 10.227 -5.662 869 1HB ASN 113 2HB ASN 113 4.012 10.588 -5.639 870 2HB ASN 113 1HB ASN 113 3.972 11.191 -3.989 871 2HD2 ASN 113 1HD2 ASN 113 3.976 12.133 -7.292 872 1HD2 ASN 113 2HD2 ASN 113 3.691 13.829 -6.974 873 H LEU 114 H LEU 114 1.832 9.593 -2.249 874 HA LEU 114 HA LEU 114 3.395 7.140 -2.614 875 1HB LEU 114 1HB LEU 114 3.247 8.669 -0.495 876 2HB LEU 114 2HB LEU 114 1.766 7.795 -0.148 877 HG LEU 114 HG LEU 114 3.936 5.927 -0.845 878 1HD1 LEU 114 1HD1 LEU 114 5.364 7.779 -0.011 879 2HD1 LEU 114 2HD1 LEU 114 4.517 7.751 1.520 880 3HD1 LEU 114 3HD1 LEU 114 5.487 6.341 0.965 881 1HD2 LEU 114 1HD2 LEU 114 1.934 5.247 0.442 882 2HD2 LEU 114 2HD2 LEU 114 3.425 4.903 1.327 883 3HD2 LEU 114 3HD2 LEU 114 2.423 6.300 1.778 884 H GLN 115 H GLN 115 0.208 7.970 -3.434 885 HA GLN 115 HA GLN 115 -0.773 5.247 -3.450 886 1HB GLN 115 1HB GLN 115 -1.153 7.150 -1.229 887 2HB GLN 115 2HB GLN 115 -2.710 6.755 -1.884 888 1HG GLN 115 1HG GLN 115 -2.497 4.445 -1.414 889 2HG GLN 115 2HG GLN 115 -0.752 4.567 -1.148 890 2HE2 GLN 115 1HE2 GLN 115 -1.212 3.481 0.968 891 1HE2 GLN 115 2HE2 GLN 115 -1.710 4.554 2.287 892 H LEU 116 H LEU 116 -0.355 6.772 -5.675 893 HA LEU 116 HA LEU 116 -1.136 8.033 -7.331 894 1HB LEU 116 1HB LEU 116 -3.661 6.504 -6.665 895 2HB LEU 116 2HB LEU 116 -3.644 7.672 -7.968 896 HG LEU 116 HG LEU 116 -1.731 5.367 -7.792 897 1HD1 LEU 116 1HD1 LEU 116 -4.078 4.574 -8.008 898 2HD1 LEU 116 2HD1 LEU 116 -4.300 5.618 -9.430 899 3HD1 LEU 116 3HD1 LEU 116 -3.164 4.249 -9.481 900 1HD2 LEU 116 1HD2 LEU 116 -2.133 7.526 -9.820 901 2HD2 LEU 116 2HD2 LEU 116 -0.652 6.686 -9.288 902 3HD2 LEU 116 3HD2 LEU 116 -1.759 5.920 -10.410 903 H GLN 117 H GLN 117 -2.540 9.689 -8.128 904 HA GLN 117 HA GLN 117 -3.147 11.649 -6.020 905 1HB GLN 117 2HB GLN 117 -2.826 13.262 -7.520 906 2HB GLN 117 1HB GLN 117 -3.475 12.357 -8.882 907 1HG GLN 117 1HG GLN 117 -0.793 11.829 -7.555 908 2HG GLN 117 2HG GLN 117 -1.327 11.151 -9.103 909 2HE2 GLN 117 1HE2 GLN 117 1.025 12.784 -8.349 910 1HE2 GLN 117 2HE2 GLN 117 1.040 14.146 -9.475 911 HA PRO 118 HA PRO 118 -7.454 10.963 -6.217 912 1HB PRO 118 1HB PRO 118 -8.684 13.377 -5.976 913 2HB PRO 118 2HB PRO 118 -7.563 12.754 -4.728 914 1HG PRO 118 1HG PRO 118 -6.972 14.735 -6.931 915 2HG PRO 118 2HG PRO 118 -6.545 14.845 -5.199 916 1HD PRO 118 1HD PRO 118 -4.826 13.943 -7.133 917 2HD PRO 118 2HD PRO 118 -4.761 13.371 -5.433 918 H GLY 119 H GLY 119 -9.695 11.568 -7.314 919 1HA GLY 119 1HA GLY 119 -9.851 13.193 -9.561 920 2HA GLY 119 2HA GLY 119 -9.742 11.525 -10.140 921 H ASN 120 H ASN 120 -12.060 12.579 -10.749 922 HA ASN 120 HA ASN 120 -14.084 11.679 -8.756 923 1HB ASN 120 1HB ASN 120 -14.061 13.898 -10.684 924 2HB ASN 120 2HB ASN 120 -15.390 12.803 -10.993 925 2HD2 ASN 120 1HD2 ASN 120 -13.774 14.483 -8.252 926 1HD2 ASN 120 2HD2 ASN 120 -15.222 14.538 -7.265 927 H ALA 121 H ALA 121 -13.186 11.542 -12.166 928 HA ALA 121 HA ALA 121 -13.578 10.104 -13.854 929 1HB ALA 121 2HB ALA 121 -12.933 8.085 -11.684 930 2HB ALA 121 3HB ALA 121 -12.760 7.843 -13.433 931 3HB ALA 121 1HB ALA 121 -11.757 9.045 -12.599 932 H LYS 122 H LYS 122 -15.833 10.747 -13.757 933 HA LYS 122 HA LYS 122 -18.001 10.096 -14.664 934 1HB LYS 122 1HB LYS 122 -17.728 8.086 -12.422 935 2HB LYS 122 2HB LYS 122 -19.193 8.938 -12.527 936 1HG LYS 122 2HG LYS 122 -19.729 8.147 -14.723 937 2HG LYS 122 1HG LYS 122 -19.435 6.846 -13.595 938 1HD LYS 122 1HD LYS 122 -16.965 7.025 -14.732 939 2HD LYS 122 2HD LYS 122 -18.267 5.943 -15.243 940 1HE LYS 122 1HE LYS 122 -19.065 7.629 -16.875 941 2HE LYS 122 2HE LYS 122 -17.675 8.655 -16.491 942 1HZ LYS 122 1HZ LYS 122 -17.530 5.882 -17.523 943 2HZ LYS 122 2HZ LYS 122 -17.305 7.194 -18.456 944 3HZ LYS 122 3HZ LYS 122 -16.243 6.825 -17.227 945 H LEU 123 H LEU 123 -19.940 10.940 -13.376 946 HA LEU 123 HA LEU 123 -19.212 12.488 -11.019 947 1HB LEU 123 1HB LEU 123 -20.871 14.119 -11.387 948 2HB LEU 123 2HB LEU 123 -19.639 14.260 -12.612 949 HG LEU 123 HG LEU 123 -22.302 12.876 -13.173 950 1HD1 LEU 123 1HD1 LEU 123 -21.687 15.839 -13.394 951 2HD1 LEU 123 2HD1 LEU 123 -23.148 15.024 -14.007 952 3HD1 LEU 123 3HD1 LEU 123 -22.834 15.079 -12.262 953 1HD2 LEU 123 1HD2 LEU 123 -20.493 12.619 -14.858 954 2HD2 LEU 123 2HD2 LEU 123 -21.850 13.559 -15.485 955 3HD2 LEU 123 3HD2 LEU 123 -20.367 14.396 -14.963 No H/Q in entry = 955 Start of MODEL 5 1 H SER 1 H SER 1 4.998 -23.049 -4.531 2 HA SER 1 HA SER 1 2.990 -24.018 -4.074 3 1HB SER 1 1HB SER 1 3.841 -24.424 -1.666 4 2HB SER 1 2HB SER 1 2.990 -22.933 -1.229 5 HG SER 1 HG SER 1 1.073 -23.900 -1.592 6 H SER 2 H SER 2 0.790 -23.172 -4.079 7 HA SER 2 HA SER 2 -0.860 -21.754 -4.365 8 1HB SER 2 1HB SER 2 0.774 -20.316 -2.343 9 2HB SER 2 2HB SER 2 -0.335 -19.295 -3.245 10 HG SER 2 HG SER 2 -1.993 -20.348 -2.461 11 H ALA 3 H ALA 3 -1.497 -19.555 -5.252 12 HA ALA 3 HA ALA 3 0.501 -18.207 -6.866 13 1HB ALA 3 2HB ALA 3 -2.130 -19.150 -8.104 14 2HB ALA 3 1HB ALA 3 -0.537 -19.876 -8.437 15 3HB ALA 3 3HB ALA 3 -0.856 -18.188 -8.887 16 H SER 4 H SER 4 -0.025 -16.059 -7.078 17 HA SER 4 HA SER 4 -2.451 -14.905 -5.862 18 1HB SER 4 1HB SER 4 -0.894 -13.552 -4.430 19 2HB SER 4 2HB SER 4 -0.914 -15.278 -4.015 20 HG SER 4 HG SER 4 1.208 -14.999 -4.168 21 H ASP 5 H ASP 5 -1.049 -12.256 -5.903 22 HA ASP 5 HA ASP 5 -0.389 -10.548 -7.369 23 1HB ASP 5 1HB ASP 5 1.485 -12.241 -7.289 24 2HB ASP 5 2HB ASP 5 0.942 -12.838 -8.839 25 H GLY 6 H GLY 6 -2.932 -11.955 -8.106 26 1HA GLY 6 1HA GLY 6 -3.194 -11.106 -10.954 27 2HA GLY 6 2HA GLY 6 -3.933 -12.561 -10.298 28 H PHE 7 H PHE 7 -3.757 -9.078 -9.962 29 HA PHE 7 HA PHE 7 -6.561 -8.714 -9.100 30 1HB PHE 7 1HB PHE 7 -4.016 -7.953 -7.584 31 2HB PHE 7 2HB PHE 7 -5.513 -7.097 -7.360 32 HD1 PHE 7 HD1 PHE 7 -4.049 -10.545 -6.959 33 HD2 PHE 7 HD2 PHE 7 -6.980 -7.667 -5.676 34 HE1 PHE 7 HE1 PHE 7 -4.491 -11.900 -4.955 35 HE2 PHE 7 HE2 PHE 7 -7.339 -8.965 -3.599 36 HZ PHE 7 HZ PHE 7 -6.055 -11.063 -3.210 37 H LYS 8 H LYS 8 -7.192 -6.436 -9.543 38 HA LYS 8 HA LYS 8 -5.621 -4.997 -11.507 39 1HB LYS 8 1HB LYS 8 -8.009 -4.695 -11.446 40 2HB LYS 8 2HB LYS 8 -7.980 -4.174 -9.753 41 1HG LYS 8 1HG LYS 8 -6.844 -2.116 -10.336 42 2HG LYS 8 2HG LYS 8 -6.541 -2.686 -11.990 43 1HD LYS 8 1HD LYS 8 -8.897 -2.615 -12.518 44 2HD LYS 8 2HD LYS 8 -9.326 -2.176 -10.852 45 1HE LYS 8 1HE LYS 8 -8.362 -0.014 -11.028 46 2HE LYS 8 2HE LYS 8 -7.330 -0.490 -12.388 47 1HZ LYS 8 1HZ LYS 8 -10.271 -0.197 -12.596 48 2HZ LYS 8 2HZ LYS 8 -9.164 0.893 -13.110 49 3HZ LYS 8 3HZ LYS 8 -9.196 -0.582 -13.800 50 H ALA 9 H ALA 9 -5.765 -5.109 -7.994 51 HA ALA 9 HA ALA 9 -4.264 -2.886 -7.306 52 1HB ALA 9 3HB ALA 9 -3.637 -4.096 -5.305 53 2HB ALA 9 2HB ALA 9 -4.022 -5.645 -6.066 54 3HB ALA 9 1HB ALA 9 -5.319 -4.468 -5.707 55 H ASN 10 H ASN 10 -3.105 -5.506 -9.309 56 HA ASN 10 HA ASN 10 -0.366 -5.464 -8.655 57 1HB ASN 10 1HB ASN 10 -1.611 -7.056 -10.221 58 2HB ASN 10 2HB ASN 10 -1.514 -5.790 -11.461 59 2HD2 ASN 10 1HD2 ASN 10 -0.038 -8.620 -10.442 60 1HD2 ASN 10 2HD2 ASN 10 1.594 -8.249 -10.727 61 H LEU 11 H LEU 11 -2.168 -3.354 -11.037 62 HA LEU 11 HA LEU 11 0.191 -1.868 -11.672 63 1HB LEU 11 1HB LEU 11 -1.006 -1.233 -13.310 64 2HB LEU 11 2HB LEU 11 -2.255 -2.318 -12.789 65 HG LEU 11 HG LEU 11 -3.005 -0.228 -13.550 66 1HD1 LEU 11 1HD1 LEU 11 -4.450 -1.408 -12.082 67 2HD1 LEU 11 2HD1 LEU 11 -3.757 -0.596 -10.678 68 3HD1 LEU 11 3HD1 LEU 11 -4.658 0.344 -11.880 69 1HD2 LEU 11 1HD2 LEU 11 -1.006 1.089 -12.517 70 2HD2 LEU 11 2HD2 LEU 11 -2.588 1.880 -12.710 71 3HD2 LEU 11 3HD2 LEU 11 -2.079 1.286 -11.121 72 H VAL 12 H VAL 12 -2.344 -1.473 -9.279 73 HA VAL 12 HA VAL 12 -1.793 1.090 -8.337 74 HB VAL 12 HB VAL 12 -2.805 -1.438 -6.974 75 1HG1 VAL 12 1HG1 VAL 12 -2.582 1.304 -5.899 76 2HG1 VAL 12 2HG1 VAL 12 -3.714 0.080 -5.224 77 3HG1 VAL 12 3HG1 VAL 12 -1.974 -0.199 -5.179 78 1HG2 VAL 12 1HG2 VAL 12 -4.170 0.958 -8.203 79 2HG2 VAL 12 2HG2 VAL 12 -4.372 -0.760 -8.619 80 3HG2 VAL 12 3HG2 VAL 12 -5.002 -0.163 -7.092 81 H PHE 13 H PHE 13 -0.351 -2.046 -7.122 82 HA PHE 13 HA PHE 13 1.284 -0.570 -5.279 83 1HB PHE 13 1HB PHE 13 1.439 -3.438 -6.262 84 2HB PHE 13 2HB PHE 13 2.404 -2.784 -4.941 85 HD1 PHE 13 HD1 PHE 13 0.689 -1.206 -3.289 86 HD2 PHE 13 HD2 PHE 13 -0.259 -4.843 -5.388 87 HE1 PHE 13 HE1 PHE 13 -1.108 -1.664 -1.670 88 HE2 PHE 13 HE2 PHE 13 -1.939 -5.397 -3.652 89 HZ PHE 13 HZ PHE 13 -2.432 -3.717 -1.844 90 H LYS 14 H LYS 14 1.794 -1.418 -8.636 91 HA LYS 14 HA LYS 14 4.649 -0.964 -8.494 92 1HB LYS 14 1HB LYS 14 3.240 -2.188 -10.217 93 2HB LYS 14 2HB LYS 14 2.929 -0.646 -10.970 94 1HG LYS 14 1HG LYS 14 5.287 -0.223 -11.453 95 2HG LYS 14 2HG LYS 14 5.811 -1.407 -10.282 96 1HD LYS 14 1HD LYS 14 6.184 -2.577 -12.193 97 2HD LYS 14 2HD LYS 14 4.601 -3.198 -11.787 98 1HE LYS 14 1HE LYS 14 5.290 -1.043 -13.835 99 2HE LYS 14 2HE LYS 14 4.809 -2.699 -14.179 100 1HZ LYS 14 1HZ LYS 14 2.659 -2.100 -13.050 101 2HZ LYS 14 2HZ LYS 14 3.134 -0.505 -13.205 102 3HZ LYS 14 3HZ LYS 14 2.948 -1.460 -14.526 103 H GLU 15 H GLU 15 1.912 1.060 -9.019 104 HA GLU 15 HA GLU 15 3.347 3.482 -9.784 105 1HB GLU 15 1HB GLU 15 0.810 3.184 -8.140 106 2HB GLU 15 2HB GLU 15 1.544 4.765 -8.429 107 1HG GLU 15 1HG GLU 15 0.760 2.934 -10.710 108 2HG GLU 15 2HG GLU 15 -0.326 4.087 -9.937 109 H ILE 16 H ILE 16 2.527 2.292 -6.451 110 HA ILE 16 HA ILE 16 3.959 4.166 -4.988 111 HB ILE 16 HB ILE 16 3.355 1.207 -4.563 112 1HG1 ILE 16 1HG1 ILE 16 2.113 3.533 -3.102 113 2HG1 ILE 16 2HG1 ILE 16 1.429 3.037 -4.636 114 1HG2 ILE 16 1HG2 ILE 16 4.485 3.192 -2.556 115 2HG2 ILE 16 2HG2 ILE 16 3.905 1.540 -2.175 116 3HG2 ILE 16 3HG2 ILE 16 5.302 1.758 -3.202 117 1HD1 ILE 16 1HD1 ILE 16 1.766 1.034 -2.402 118 2HD1 ILE 16 2HD1 ILE 16 0.358 2.096 -2.533 119 3HD1 ILE 16 3HD1 ILE 16 0.731 0.969 -3.843 120 H GLU 17 H GLU 17 5.102 1.086 -6.498 121 HA GLU 17 HA GLU 17 7.815 1.381 -5.724 122 1HB GLU 17 1HB GLU 17 6.777 -0.733 -6.701 123 2HB GLU 17 2HB GLU 17 6.802 0.057 -8.257 124 1HG GLU 17 1HG GLU 17 9.283 0.381 -8.110 125 2HG GLU 17 2HG GLU 17 9.297 -0.471 -6.572 126 H LYS 18 H LYS 18 6.221 2.472 -8.737 127 HA LYS 18 HA LYS 18 8.551 3.119 -10.064 128 1HB LYS 18 1HB LYS 18 5.677 4.020 -10.286 129 2HB LYS 18 2HB LYS 18 6.878 5.078 -11.024 130 1HG LYS 18 1HG LYS 18 7.805 3.176 -12.290 131 2HG LYS 18 2HG LYS 18 6.488 2.140 -11.694 132 1HD LYS 18 1HD LYS 18 4.828 3.540 -12.776 133 2HD LYS 18 2HD LYS 18 6.019 4.772 -13.183 134 1HE LYS 18 1HE LYS 18 6.133 1.933 -14.246 135 2HE LYS 18 2HE LYS 18 5.312 3.248 -15.086 136 1HZ LYS 18 1HZ LYS 18 8.196 3.263 -14.417 137 2HZ LYS 18 2HZ LYS 18 7.545 2.900 -15.894 138 3HZ LYS 18 3HZ LYS 18 7.417 4.413 -15.279 139 H LYS 19 H LYS 19 6.530 5.182 -7.992 140 HA LYS 19 HA LYS 19 8.126 7.536 -8.176 141 1HB LYS 19 1HB LYS 19 5.680 7.207 -7.400 142 2HB LYS 19 2HB LYS 19 6.353 6.643 -5.883 143 1HG LYS 19 1HG LYS 19 5.943 8.815 -5.356 144 2HG LYS 19 2HG LYS 19 7.601 9.006 -5.901 145 1HD LYS 19 1HD LYS 19 5.062 9.522 -7.533 146 2HD LYS 19 2HD LYS 19 5.943 10.733 -6.608 147 1HE LYS 19 1HE LYS 19 7.975 10.239 -8.062 148 2HE LYS 19 2HE LYS 19 6.890 9.308 -9.113 149 1HZ LYS 19 1HZ LYS 19 5.541 11.368 -9.329 150 2HZ LYS 19 2HZ LYS 19 6.634 12.162 -8.408 151 3HZ LYS 19 3HZ LYS 19 7.087 11.591 -9.879 152 H LEU 20 H LEU 20 8.192 4.774 -5.834 153 HA LEU 20 HA LEU 20 10.266 5.718 -4.204 154 1HB LEU 20 1HB LEU 20 8.706 3.295 -4.539 155 2HB LEU 20 2HB LEU 20 10.373 2.858 -4.397 156 HG LEU 20 HG LEU 20 9.736 4.933 -2.413 157 1HD1 LEU 20 1HD1 LEU 20 7.460 4.074 -2.663 158 2HD1 LEU 20 2HD1 LEU 20 8.038 2.439 -2.278 159 3HD1 LEU 20 3HD1 LEU 20 8.153 3.738 -1.060 160 1HD2 LEU 20 1HD2 LEU 20 11.657 3.346 -2.438 161 2HD2 LEU 20 2HD2 LEU 20 10.790 3.472 -0.914 162 3HD2 LEU 20 3HD2 LEU 20 10.509 2.063 -1.955 163 H GLU 21 H GLU 21 10.457 3.915 -7.270 164 HA GLU 21 HA GLU 21 13.263 3.703 -7.246 165 1HB GLU 21 1HB GLU 21 11.398 3.778 -9.579 166 2HB GLU 21 2HB GLU 21 13.078 3.363 -9.711 167 1HG GLU 21 1HG GLU 21 11.226 1.849 -7.784 168 2HG GLU 21 2HG GLU 21 11.268 1.487 -9.516 169 H GLU 22 H GLU 22 11.290 6.454 -8.601 170 HA GLU 22 HA GLU 22 13.589 7.838 -9.534 171 1HB GLU 22 1HB GLU 22 10.898 8.964 -8.631 172 2HB GLU 22 2HB GLU 22 12.098 9.767 -9.670 173 1HG GLU 22 1HG GLU 22 11.832 7.834 -11.293 174 2HG GLU 22 2HG GLU 22 10.520 7.243 -10.323 175 H GLU 23 H GLU 23 11.897 8.071 -6.370 176 HA GLU 23 HA GLU 23 14.165 9.360 -5.111 177 1HB GLU 23 1HB GLU 23 12.907 11.182 -6.332 178 2HB GLU 23 2HB GLU 23 11.478 10.764 -5.377 179 1HG GLU 23 1HG GLU 23 13.077 11.052 -3.337 180 2HG GLU 23 2HG GLU 23 14.140 11.853 -4.489 181 H GLY 24 H GLY 24 13.547 6.981 -4.451 182 1HA GLY 24 1HA GLY 24 11.379 6.599 -2.609 183 2HA GLY 24 2HA GLY 24 12.810 5.562 -2.754 184 H GLU 25 H GLU 25 14.608 7.887 -2.187 185 HA GLU 25 HA GLU 25 15.162 7.316 0.390 186 1HB GLU 25 2HB GLU 25 16.707 8.483 -1.144 187 2HB GLU 25 1HB GLU 25 16.629 9.299 0.420 188 1HG GLU 25 1HG GLU 25 15.156 10.193 -2.105 189 2HG GLU 25 2HG GLU 25 15.097 11.013 -0.547 190 H GLN 26 H GLN 26 12.938 9.856 -0.661 191 HA GLN 26 HA GLN 26 12.674 11.050 1.939 192 1HB GLN 26 1HB GLN 26 12.434 11.968 -0.528 193 2HB GLN 26 2HB GLN 26 10.766 11.418 -0.394 194 1HG GLN 26 1HG GLN 26 10.361 12.904 1.456 195 2HG GLN 26 2HG GLN 26 12.093 13.270 1.606 196 2HE2 GLN 26 1HE2 GLN 26 13.160 14.478 -0.172 197 1HE2 GLN 26 2HE2 GLN 26 12.239 15.427 -1.303 198 H PHE 27 H PHE 27 10.809 8.563 0.024 199 HA PHE 27 HA PHE 27 8.607 8.497 1.813 200 1HB PHE 27 1HB PHE 27 9.725 6.980 -0.565 201 2HB PHE 27 2HB PHE 27 8.649 6.104 0.480 202 HD1 PHE 27 HD1 PHE 27 7.087 9.227 0.782 203 HD2 PHE 27 HD2 PHE 27 8.142 6.416 -2.328 204 HE1 PHE 27 HE1 PHE 27 5.556 10.311 -0.730 205 HE2 PHE 27 HE2 PHE 27 6.515 7.449 -3.795 206 HZ PHE 27 HZ PHE 27 5.211 9.456 -3.040 207 H VAL 28 H VAL 28 11.782 6.859 1.692 208 HA VAL 28 HA VAL 28 11.333 4.893 3.679 209 HB VAL 28 HB VAL 28 13.761 6.603 3.122 210 1HG1 VAL 28 1HG1 VAL 28 13.535 4.106 4.836 211 2HG1 VAL 28 2HG1 VAL 28 15.060 4.845 4.296 212 3HG1 VAL 28 3HG1 VAL 28 13.992 5.734 5.386 213 1HG2 VAL 28 1HG2 VAL 28 13.052 5.047 1.260 214 2HG2 VAL 28 2HG2 VAL 28 14.642 4.696 1.942 215 3HG2 VAL 28 3HG2 VAL 28 13.259 3.691 2.382 216 H LYS 29 H LYS 29 12.307 8.370 4.141 217 HA LYS 29 HA LYS 29 12.104 8.167 6.974 218 1HB LYS 29 2HB LYS 29 12.120 10.621 7.012 219 2HB LYS 29 1HB LYS 29 11.833 10.685 5.266 220 1HG LYS 29 1HG LYS 29 14.218 9.227 6.476 221 2HG LYS 29 2HG LYS 29 13.989 9.734 4.793 222 1HD LYS 29 1HD LYS 29 14.100 12.133 5.556 223 2HD LYS 29 2HD LYS 29 14.407 11.549 7.214 224 1HE LYS 29 1HE LYS 29 16.334 10.191 6.233 225 2HE LYS 29 2HE LYS 29 16.111 11.073 4.723 226 1HZ LYS 29 1HZ LYS 29 16.556 13.126 6.069 227 2HZ LYS 29 2HZ LYS 29 16.956 12.116 7.345 228 3HZ LYS 29 3HZ LYS 29 17.812 12.084 5.959 229 H LYS 30 H LYS 30 9.493 8.293 4.710 230 HA LYS 30 HA LYS 30 7.622 9.611 6.494 231 1HB LYS 30 1HB LYS 30 7.292 8.151 3.868 232 2HB LYS 30 2HB LYS 30 5.988 8.953 4.699 233 1HG LYS 30 1HG LYS 30 8.406 10.667 4.284 234 2HG LYS 30 2HG LYS 30 7.641 10.095 2.809 235 1HD LYS 30 1HD LYS 30 5.461 11.018 3.589 236 2HD LYS 30 2HD LYS 30 6.293 11.663 5.028 237 1HE LYS 30 1HE LYS 30 7.884 12.870 3.468 238 2HE LYS 30 2HE LYS 30 6.903 12.313 2.106 239 1HZ LYS 30 1HZ LYS 30 5.010 13.492 3.205 240 2HZ LYS 30 2HZ LYS 30 6.099 14.175 4.246 241 3HZ LYS 30 3HZ LYS 30 6.241 14.464 2.662 242 H ILE 31 H ILE 31 7.947 6.241 5.253 243 HA ILE 31 HA ILE 31 5.981 5.217 7.257 244 HB ILE 31 HB ILE 31 7.514 4.040 4.925 245 1HG1 ILE 31 1HG1 ILE 31 4.841 3.473 4.546 246 2HG1 ILE 31 2HG1 ILE 31 4.697 4.987 5.431 247 1HG2 ILE 31 1HG2 ILE 31 5.777 2.663 6.977 248 2HG2 ILE 31 2HG2 ILE 31 6.243 1.965 5.404 249 3HG2 ILE 31 3HG2 ILE 31 7.487 2.304 6.582 250 1HD1 ILE 31 1HD1 ILE 31 6.314 4.506 2.888 251 2HD1 ILE 31 2HD1 ILE 31 4.741 5.324 3.000 252 3HD1 ILE 31 3HD1 ILE 31 6.179 6.063 3.736 253 H GLY 32 H GLY 32 9.531 4.828 6.394 254 1HA GLY 32 1HA GLY 32 11.240 3.942 7.499 255 2HA GLY 32 2HA GLY 32 10.489 4.586 8.958 256 H GLY 33 H GLY 33 10.066 1.748 6.675 257 1HA GLY 33 1HA GLY 33 10.727 -0.233 8.518 258 2HA GLY 33 2HA GLY 33 8.993 0.016 8.694 259 H ILE 34 H ILE 34 10.596 -2.325 7.398 260 HA ILE 34 HA ILE 34 9.548 -2.181 4.640 261 HB ILE 34 HB ILE 34 10.654 -4.587 6.180 262 1HG1 ILE 34 2HG1 ILE 34 11.851 -2.524 4.377 263 2HG1 ILE 34 1HG1 ILE 34 12.276 -4.168 3.957 264 1HG2 ILE 34 1HG2 ILE 34 9.726 -4.289 3.280 265 2HG2 ILE 34 2HG2 ILE 34 10.575 -5.689 3.912 266 3HG2 ILE 34 3HG2 ILE 34 8.984 -5.325 4.524 267 1HD1 ILE 34 1HD1 ILE 34 12.698 -2.891 6.701 268 2HD1 ILE 34 2HD1 ILE 34 13.174 -4.536 6.230 269 3HD1 ILE 34 3HD1 ILE 34 13.938 -3.138 5.453 270 H PHE 35 H PHE 35 7.525 -3.006 4.040 271 HA PHE 35 HA PHE 35 6.033 -4.427 6.138 272 1HB PHE 35 2HB PHE 35 5.462 -2.115 6.486 273 2HB PHE 35 1HB PHE 35 4.087 -3.071 5.970 274 HD1 PHE 35 HD1 PHE 35 3.315 -2.916 3.593 275 HD2 PHE 35 HD2 PHE 35 6.254 -0.211 5.145 276 HE1 PHE 35 HE1 PHE 35 2.728 -1.317 1.846 277 HE2 PHE 35 HE2 PHE 35 5.618 1.445 3.353 278 HZ PHE 35 HZ PHE 35 3.840 0.916 1.739 279 H ALA 36 H ALA 36 4.100 -5.478 5.340 280 HA ALA 36 HA ALA 36 4.204 -6.144 2.433 281 1HB ALA 36 2HB ALA 36 2.741 -8.144 3.572 282 2HB ALA 36 3HB ALA 36 4.499 -8.221 3.278 283 3HB ALA 36 1HB ALA 36 3.877 -7.801 4.881 284 H PHE 37 H PHE 37 2.347 -5.911 1.278 285 HA PHE 37 HA PHE 37 -0.036 -4.637 2.522 286 1HB PHE 37 1HB PHE 37 0.796 -5.256 -0.343 287 2HB PHE 37 2HB PHE 37 -0.806 -4.681 0.081 288 HD1 PHE 37 HD1 PHE 37 -0.755 -2.557 1.799 289 HD2 PHE 37 HD2 PHE 37 2.156 -3.551 -1.226 290 HE1 PHE 37 HE1 PHE 37 -0.148 -0.185 1.580 291 HE2 PHE 37 HE2 PHE 37 2.665 -1.184 -1.532 292 HZ PHE 37 HZ PHE 37 1.496 0.549 -0.130 293 H LYS 38 H LYS 38 -0.964 -6.417 3.770 294 HA LYS 38 HA LYS 38 -1.483 -8.919 2.332 295 1HB LYS 38 1HB LYS 38 -1.953 -7.779 5.065 296 2HB LYS 38 2HB LYS 38 -3.155 -8.936 4.563 297 1HG LYS 38 1HG LYS 38 -0.154 -9.513 4.422 298 2HG LYS 38 2HG LYS 38 -1.144 -9.843 5.840 299 1HD LYS 38 1HD LYS 38 -2.679 -11.218 4.238 300 2HD LYS 38 2HD LYS 38 -1.328 -11.131 3.100 301 1HE LYS 38 2HE LYS 38 0.131 -11.994 5.065 302 2HE LYS 38 1HE LYS 38 -0.927 -13.145 4.229 303 1HZ LYS 38 1HZ LYS 38 -1.866 -11.755 6.638 304 2HZ LYS 38 2HZ LYS 38 -2.399 -13.167 5.990 305 3HZ LYS 38 3HZ LYS 38 -0.961 -13.087 6.791 306 H VAL 39 H VAL 39 -2.844 -8.805 0.641 307 HA VAL 39 HA VAL 39 -5.394 -7.305 1.031 308 HB VAL 39 HB VAL 39 -3.775 -7.721 -1.543 309 1HG1 VAL 39 1HG1 VAL 39 -6.276 -6.132 -0.893 310 2HG1 VAL 39 2HG1 VAL 39 -5.345 -5.899 -2.391 311 3HG1 VAL 39 3HG1 VAL 39 -6.103 -7.454 -2.054 312 1HG2 VAL 39 1HG2 VAL 39 -3.248 -5.751 0.507 313 2HG2 VAL 39 2HG2 VAL 39 -2.452 -6.053 -1.037 314 3HG2 VAL 39 3HG2 VAL 39 -3.843 -4.970 -0.949 315 H LYS 40 H LYS 40 -6.965 -8.947 1.226 316 HA LYS 40 HA LYS 40 -7.033 -10.984 -0.916 317 1HB LYS 40 1HB LYS 40 -8.476 -12.312 0.784 318 2HB LYS 40 2HB LYS 40 -6.724 -12.302 0.857 319 1HG LYS 40 1HG LYS 40 -6.698 -10.783 2.750 320 2HG LYS 40 2HG LYS 40 -8.481 -10.687 2.723 321 1HD LYS 40 1HD LYS 40 -8.647 -13.058 3.260 322 2HD LYS 40 2HD LYS 40 -6.925 -13.310 2.972 323 1HE LYS 40 1HE LYS 40 -7.235 -13.294 5.320 324 2HE LYS 40 2HE LYS 40 -6.379 -11.811 4.875 325 1HZ LYS 40 1HZ LYS 40 -8.594 -10.669 5.037 326 2HZ LYS 40 2HZ LYS 40 -9.261 -12.073 5.559 327 3HZ LYS 40 3HZ LYS 40 -8.121 -11.327 6.447 328 H ASP 41 H ASP 41 -9.505 -11.755 -0.826 329 HA ASP 41 HA ASP 41 -11.618 -11.397 -1.411 330 1HB ASP 41 1HB ASP 41 -11.183 -10.272 1.019 331 2HB ASP 41 2HB ASP 41 -11.639 -8.842 0.189 332 H GLY 42 H GLY 42 -9.868 -10.499 -3.331 333 1HA GLY 42 1HA GLY 42 -11.081 -8.026 -4.451 334 2HA GLY 42 2HA GLY 42 -9.482 -8.694 -4.827 335 HA PRO 43 HA PRO 43 -12.347 -10.259 -8.138 336 1HB PRO 43 1HB PRO 43 -10.535 -10.097 -10.185 337 2HB PRO 43 2HB PRO 43 -11.538 -8.714 -9.661 338 1HG PRO 43 1HG PRO 43 -8.652 -9.289 -8.996 339 2HG PRO 43 2HG PRO 43 -9.404 -7.712 -9.369 340 1HD PRO 43 1HD PRO 43 -8.873 -8.593 -6.832 341 2HD PRO 43 2HD PRO 43 -10.187 -7.453 -7.217 342 H GLY 44 H GLY 44 -12.484 -12.382 -7.701 343 1HA GLY 44 1HA GLY 44 -11.523 -14.658 -7.872 344 2HA GLY 44 2HA GLY 44 -9.995 -13.998 -7.282 345 H GLY 45 H GLY 45 -10.221 -12.756 -5.007 346 1HA GLY 45 1HA GLY 45 -10.946 -12.989 -2.788 347 2HA GLY 45 2HA GLY 45 -11.938 -14.379 -3.209 348 H LYS 46 H LYS 46 -8.770 -14.063 -4.573 349 HA LYS 46 HA LYS 46 -7.510 -16.107 -2.843 350 1HB LYS 46 2HB LYS 46 -5.534 -15.692 -4.299 351 2HB LYS 46 1HB LYS 46 -6.411 -14.336 -5.093 352 1HG LYS 46 1HG LYS 46 -7.635 -17.092 -5.181 353 2HG LYS 46 2HG LYS 46 -7.787 -15.702 -6.250 354 1HD LYS 46 2HD LYS 46 -5.245 -16.172 -6.805 355 2HD LYS 46 1HD LYS 46 -6.538 -17.111 -7.571 356 1HE LYS 46 1HE LYS 46 -4.936 -17.964 -5.126 357 2HE LYS 46 2HE LYS 46 -6.344 -18.825 -5.755 358 1HZ LYS 46 1HZ LYS 46 -5.157 -19.140 -7.843 359 2HZ LYS 46 2HZ LYS 46 -3.850 -18.340 -7.221 360 3HZ LYS 46 3HZ LYS 46 -4.344 -19.773 -6.545 361 H GLU 47 H GLU 47 -5.142 -15.146 -2.256 362 HA GLU 47 HA GLU 47 -5.393 -12.353 -1.274 363 1HB GLU 47 1HB GLU 47 -5.269 -14.159 0.487 364 2HB GLU 47 2HB GLU 47 -3.691 -14.641 -0.178 365 1HG GLU 47 1HG GLU 47 -2.762 -12.438 0.370 366 2HG GLU 47 2HG GLU 47 -4.349 -11.854 0.899 367 H ALA 48 H ALA 48 -3.492 -11.069 -1.586 368 HA ALA 48 HA ALA 48 -1.210 -12.184 -3.081 369 1HB ALA 48 1HB ALA 48 -2.504 -9.528 -3.676 370 2HB ALA 48 3HB ALA 48 -2.399 -10.941 -4.768 371 3HB ALA 48 2HB ALA 48 -0.930 -10.093 -4.281 372 H THR 49 H THR 49 0.696 -10.653 -2.645 373 HA THR 49 HA THR 49 0.314 -8.568 -0.722 374 HB THR 49 HB THR 49 2.057 -11.001 -0.043 375 HG1 THR 49 HG1 THR 49 -0.248 -10.588 0.658 376 1HG2 THR 49 1HG2 THR 49 2.118 -8.238 1.247 377 2HG2 THR 49 2HG2 THR 49 2.917 -9.685 1.885 378 3HG2 THR 49 3HG2 THR 49 3.455 -9.025 0.363 379 H TRP 50 H TRP 50 1.993 -7.032 -0.994 380 HA TRP 50 HA TRP 50 4.190 -7.640 -2.935 381 1HB TRP 50 1HB TRP 50 2.279 -5.307 -2.570 382 2HB TRP 50 2HB TRP 50 3.982 -4.908 -2.760 383 HD1 TRP 50 HD1 TRP 50 4.760 -4.636 -5.262 384 HE1 TRP 50 HE1 TRP 50 3.661 -5.164 -7.557 385 HE3 TRP 50 HE3 TRP 50 0.616 -7.183 -3.656 386 HZ2 TRP 50 HZ2 TRP 50 1.501 -6.769 -8.511 387 HZ3 TRP 50 HZ3 TRP 50 -1.013 -8.083 -5.284 388 HH2 TRP 50 HH2 TRP 50 -0.554 -7.950 -7.710 389 H VAL 51 H VAL 51 6.297 -6.950 -1.891 390 HA VAL 51 HA VAL 51 6.036 -6.087 0.954 391 HB VAL 51 HB VAL 51 8.411 -7.296 -0.521 392 1HG1 VAL 51 1HG1 VAL 51 8.104 -6.473 2.397 393 2HG1 VAL 51 2HG1 VAL 51 9.487 -7.349 1.712 394 3HG1 VAL 51 3HG1 VAL 51 9.165 -5.695 1.195 395 1HG2 VAL 51 1HG2 VAL 51 6.685 -8.501 1.638 396 2HG2 VAL 51 2HG2 VAL 51 6.789 -9.028 -0.066 397 3HG2 VAL 51 3HG2 VAL 51 8.190 -9.204 0.974 398 H VAL 52 H VAL 52 6.949 -4.019 1.472 399 HA VAL 52 HA VAL 52 8.014 -2.391 -0.782 400 HB VAL 52 HB VAL 52 6.100 -1.545 1.426 401 1HG1 VAL 52 1HG1 VAL 52 7.471 0.185 -0.697 402 2HG1 VAL 52 2HG1 VAL 52 6.214 0.734 0.437 403 3HG1 VAL 52 3HG1 VAL 52 7.792 0.219 1.032 404 1HG2 VAL 52 1HG2 VAL 52 5.053 -2.606 -0.669 405 2HG2 VAL 52 2HG2 VAL 52 4.539 -0.954 -0.232 406 3HG2 VAL 52 3HG2 VAL 52 5.671 -1.224 -1.560 407 H ASP 53 H ASP 53 10.152 -2.105 -0.265 408 HA ASP 53 HA ASP 53 10.974 -2.112 2.549 409 1HB ASP 53 1HB ASP 53 12.334 -3.183 0.622 410 2HB ASP 53 2HB ASP 53 12.788 -1.544 0.184 411 H VAL 54 H VAL 54 10.614 -0.234 3.560 412 HA VAL 54 HA VAL 54 11.724 2.161 2.346 413 HB VAL 54 HB VAL 54 9.749 3.498 3.472 414 1HG1 VAL 54 1HG1 VAL 54 9.321 2.129 0.820 415 2HG1 VAL 54 2HG1 VAL 54 8.472 3.570 1.421 416 3HG1 VAL 54 3HG1 VAL 54 10.214 3.637 1.145 417 1HG2 VAL 54 1HG2 VAL 54 8.334 0.835 3.053 418 2HG2 VAL 54 2HG2 VAL 54 8.552 1.771 4.540 419 3HG2 VAL 54 3HG2 VAL 54 7.548 2.406 3.231 420 H LYS 55 H LYS 55 13.101 0.576 3.837 421 HA LYS 55 HA LYS 55 13.489 2.290 6.221 422 1HB LYS 55 1HB LYS 55 12.304 -0.175 6.578 423 2HB LYS 55 2HB LYS 55 13.986 -0.625 6.735 424 1HG LYS 55 1HG LYS 55 12.603 1.594 8.302 425 2HG LYS 55 2HG LYS 55 12.840 -0.056 8.866 426 1HD LYS 55 1HD LYS 55 15.319 0.291 8.732 427 2HD LYS 55 2HD LYS 55 15.006 1.967 8.272 428 1HE LYS 55 2HE LYS 55 13.630 2.211 10.382 429 2HE LYS 55 1HE LYS 55 15.372 2.038 10.625 430 1HZ LYS 55 1HZ LYS 55 13.594 -0.292 10.776 431 2HZ LYS 55 2HZ LYS 55 15.097 -0.121 11.390 432 3HZ LYS 55 3HZ LYS 55 13.822 0.696 12.072 433 H ASN 56 H ASN 56 14.618 -0.460 4.299 434 HA ASN 56 HA ASN 56 17.463 0.080 4.878 435 1HB ASN 56 1HB ASN 56 15.876 -2.075 3.567 436 2HB ASN 56 2HB ASN 56 17.438 -1.767 2.852 437 2HD2 ASN 56 1HD2 ASN 56 15.839 -2.376 6.048 438 1HD2 ASN 56 2HD2 ASN 56 17.274 -3.074 6.750 439 H GLY 57 H GLY 57 18.977 0.646 3.296 440 1HA GLY 57 1HA GLY 57 19.799 2.003 1.646 441 2HA GLY 57 2HA GLY 57 18.684 1.094 0.599 442 H LYS 58 H LYS 58 17.828 2.564 -0.675 443 HA LYS 58 HA LYS 58 16.638 5.058 0.409 444 1HB LYS 58 2HB LYS 58 16.833 6.051 -1.590 445 2HB LYS 58 1HB LYS 58 16.641 4.597 -2.524 446 1HG LYS 58 1HG LYS 58 18.915 5.922 -2.335 447 2HG LYS 58 2HG LYS 58 19.188 4.923 -0.940 448 1HD LYS 58 1HD LYS 58 20.019 3.360 -2.308 449 2HD LYS 58 2HD LYS 58 18.415 3.080 -2.980 450 1HE LYS 58 1HE LYS 58 20.367 5.232 -3.946 451 2HE LYS 58 2HE LYS 58 20.252 3.619 -4.666 452 1HZ LYS 58 1HZ LYS 58 17.961 5.479 -4.541 453 2HZ LYS 58 2HZ LYS 58 18.968 5.402 -5.790 454 3HZ LYS 58 3HZ LYS 58 18.105 4.042 -5.413 455 H GLY 59 H GLY 59 15.740 1.959 0.002 456 1HA GLY 59 1HA GLY 59 13.659 1.053 0.248 457 2HA GLY 59 2HA GLY 59 12.902 2.616 -0.166 458 H SER 60 H SER 60 12.221 0.118 -1.244 459 HA SER 60 HA SER 60 11.825 0.681 -3.932 460 1HB SER 60 2HB SER 60 12.976 -1.296 -4.967 461 2HB SER 60 1HB SER 60 13.645 -1.744 -3.395 462 HG SER 60 HG SER 60 14.360 0.760 -3.833 463 H VAL 61 H VAL 61 10.394 -1.126 -4.878 464 HA VAL 61 HA VAL 61 8.982 -2.559 -2.690 465 HB VAL 61 HB VAL 61 8.042 -1.911 -5.469 466 1HG1 VAL 61 1HG1 VAL 61 6.832 -3.851 -4.605 467 2HG1 VAL 61 2HG1 VAL 61 6.371 -2.922 -3.157 468 3HG1 VAL 61 3HG1 VAL 61 5.785 -2.445 -4.759 469 1HG2 VAL 61 1HG2 VAL 61 7.345 -0.579 -2.825 470 2HG2 VAL 61 2HG2 VAL 61 8.256 0.161 -4.135 471 3HG2 VAL 61 3HG2 VAL 61 6.553 -0.231 -4.379 472 H LEU 62 H LEU 62 8.364 -4.700 -3.104 473 HA LEU 62 HA LEU 62 10.345 -6.302 -4.634 474 1HB LEU 62 1HB LEU 62 9.706 -6.168 -1.673 475 2HB LEU 62 2HB LEU 62 10.643 -7.484 -2.385 476 HG LEU 62 HG LEU 62 11.481 -4.552 -2.508 477 1HD1 LEU 62 1HD1 LEU 62 12.194 -6.613 -0.394 478 2HD1 LEU 62 2HD1 LEU 62 12.976 -5.041 -0.604 479 3HD1 LEU 62 3HD1 LEU 62 11.279 -5.112 -0.166 480 1HD2 LEU 62 1HD2 LEU 62 12.558 -6.037 -4.170 481 2HD2 LEU 62 2HD2 LEU 62 13.700 -5.460 -2.955 482 3HD2 LEU 62 3HD2 LEU 62 13.072 -7.125 -2.859 483 HA PRO 63 HA PRO 63 5.879 -7.583 -4.894 484 1HB PRO 63 1HB PRO 63 5.892 -8.551 -7.476 485 2HB PRO 63 2HB PRO 63 5.674 -6.824 -7.057 486 1HG PRO 63 2HG PRO 63 7.557 -6.669 -8.485 487 2HG PRO 63 1HG PRO 63 8.219 -8.225 -7.893 488 1HD PRO 63 1HD PRO 63 9.491 -6.760 -6.579 489 2HD PRO 63 2HD PRO 63 8.188 -5.538 -6.496 490 H ASN 64 H ASN 64 4.991 -9.633 -4.602 491 HA ASN 64 HA ASN 64 4.949 -11.658 -3.761 492 1HB ASN 64 2HB ASN 64 5.108 -13.336 -5.327 493 2HB ASN 64 1HB ASN 64 6.464 -12.585 -6.177 494 2HD2 ASN 64 1HD2 ASN 64 5.821 -11.951 -8.204 495 1HD2 ASN 64 2HD2 ASN 64 4.200 -11.342 -8.528 496 H SER 65 H SER 65 7.371 -10.242 -2.775 497 HA SER 65 HA SER 65 9.599 -11.900 -3.256 498 1HB SER 65 1HB SER 65 9.590 -9.442 -2.736 499 2HB SER 65 2HB SER 65 9.346 -9.853 -1.025 500 HG SER 65 HG SER 65 11.516 -10.576 -2.748 501 H ASP 66 H ASP 66 10.988 -12.750 -1.592 502 HA ASP 66 HA ASP 66 9.654 -14.604 0.296 503 1HB ASP 66 2HB ASP 66 11.478 -15.374 -1.428 504 2HB ASP 66 1HB ASP 66 11.581 -15.910 0.249 505 H LYS 67 H LYS 67 11.326 -11.555 0.113 506 HA LYS 67 HA LYS 67 12.541 -11.427 2.690 507 1HB LYS 67 1HB LYS 67 11.260 -9.333 0.876 508 2HB LYS 67 2HB LYS 67 11.708 -8.945 2.530 509 1HG LYS 67 1HG LYS 67 13.545 -8.257 1.341 510 2HG LYS 67 2HG LYS 67 14.053 -9.799 2.037 511 1HD LYS 67 1HD LYS 67 13.628 -10.872 -0.196 512 2HD LYS 67 2HD LYS 67 13.162 -9.270 -0.832 513 1HE LYS 67 1HE LYS 67 15.358 -8.356 -0.282 514 2HE LYS 67 2HE LYS 67 15.850 -9.894 0.449 515 1HZ LYS 67 1HZ LYS 67 15.664 -10.927 -1.702 516 2HZ LYS 67 2HZ LYS 67 15.227 -9.489 -2.426 517 3HZ LYS 67 3HZ LYS 67 16.698 -9.642 -1.775 518 H LYS 68 H LYS 68 11.687 -11.208 4.688 519 HA LYS 68 HA LYS 68 8.739 -11.393 5.000 520 1HB LYS 68 2HB LYS 68 10.256 -12.838 6.414 521 2HB LYS 68 1HB LYS 68 9.057 -11.880 7.284 522 1HG LYS 68 1HG LYS 68 11.861 -10.831 6.961 523 2HG LYS 68 2HG LYS 68 10.643 -10.390 8.138 524 1HD LYS 68 1HD LYS 68 10.901 -12.511 9.304 525 2HD LYS 68 2HD LYS 68 11.991 -13.122 8.042 526 1HE LYS 68 1HE LYS 68 13.008 -10.583 8.933 527 2HE LYS 68 2HE LYS 68 12.612 -11.491 10.385 528 1HZ LYS 68 1HZ LYS 68 14.236 -12.740 8.232 529 2HZ LYS 68 2HZ LYS 68 14.929 -11.770 9.354 530 3HZ LYS 68 3HZ LYS 68 14.191 -13.109 9.838 531 H ALA 69 H ALA 69 8.286 -9.755 7.075 532 HA ALA 69 HA ALA 69 9.241 -7.077 6.274 533 1HB ALA 69 1HB ALA 69 7.226 -7.561 4.909 534 2HB ALA 69 3HB ALA 69 6.935 -6.290 6.112 535 3HB ALA 69 2HB ALA 69 6.309 -7.921 6.397 536 H ASP 70 H ASP 70 8.832 -5.465 7.821 537 HA ASP 70 HA ASP 70 9.269 -6.417 10.515 538 1HB ASP 70 1HB ASP 70 9.637 -3.965 8.925 539 2HB ASP 70 2HB ASP 70 8.862 -3.585 10.455 540 H CYS 71 H CYS 71 6.705 -4.800 8.729 541 HA CYS 71 HA CYS 71 4.696 -5.503 10.761 542 1HB CYS 71 2HB CYS 71 3.636 -3.259 10.551 543 2HB CYS 71 1HB CYS 71 4.937 -2.742 9.480 544 HG CYS 71 HG CYS 71 5.098 -3.713 12.663 545 H THR 72 H THR 72 2.378 -4.998 9.562 546 HA THR 72 HA THR 72 2.453 -5.348 6.673 547 HB THR 72 HB THR 72 1.561 -7.568 8.575 548 HG1 THR 72 HG1 THR 72 3.744 -7.569 7.849 549 1HG2 THR 72 1HG2 THR 72 0.952 -7.243 5.614 550 2HG2 THR 72 2HG2 THR 72 0.826 -8.767 6.499 551 3HG2 THR 72 3HG2 THR 72 -0.199 -7.410 6.955 552 H ILE 73 H ILE 73 0.603 -4.010 6.065 553 HA ILE 73 HA ILE 73 -1.341 -3.573 8.274 554 HB ILE 73 HB ILE 73 -0.433 -1.863 6.362 555 1HG1 ILE 73 1HG1 ILE 73 -3.181 -1.973 7.626 556 2HG1 ILE 73 2HG1 ILE 73 -1.662 -1.364 8.297 557 1HG2 ILE 73 1HG2 ILE 73 -1.467 -3.326 4.507 558 2HG2 ILE 73 2HG2 ILE 73 -3.050 -2.877 5.147 559 3HG2 ILE 73 3HG2 ILE 73 -1.961 -1.631 4.504 560 1HD1 ILE 73 1HD1 ILE 73 -1.524 0.431 6.670 561 2HD1 ILE 73 2HD1 ILE 73 -3.019 -0.104 5.893 562 3HD1 ILE 73 3HD1 ILE 73 -3.062 0.512 7.554 563 H THR 74 H THR 74 -3.578 -4.505 8.060 564 HA THR 74 HA THR 74 -3.997 -5.985 5.454 565 HB THR 74 HB THR 74 -4.962 -6.722 8.234 566 HG1 THR 74 HG1 THR 74 -2.816 -7.252 7.336 567 1HG2 THR 74 1HG2 THR 74 -5.787 -7.803 5.503 568 2HG2 THR 74 2HG2 THR 74 -5.999 -8.729 6.997 569 3HG2 THR 74 3HG2 THR 74 -6.830 -7.184 6.806 570 H MET 75 H MET 75 -5.807 -5.486 4.301 571 HA MET 75 HA MET 75 -7.992 -4.202 5.832 572 1HB MET 75 1HB MET 75 -6.730 -2.962 3.336 573 2HB MET 75 2HB MET 75 -8.410 -2.766 3.762 574 1HG MET 75 2HG MET 75 -7.267 -2.007 6.122 575 2HG MET 75 1HG MET 75 -7.882 -0.962 4.828 576 1HE MET 75 1HE MET 75 -6.603 1.093 4.977 577 2HE MET 75 2HE MET 75 -5.823 0.610 6.510 578 3HE MET 75 3HE MET 75 -4.846 1.245 5.173 579 H ALA 76 H ALA 76 -8.028 -4.291 2.413 580 HA ALA 76 HA ALA 76 -8.695 -6.939 1.720 581 1HB ALA 76 3HB ALA 76 -10.821 -6.463 2.987 582 2HB ALA 76 1HB ALA 76 -11.023 -4.962 2.056 583 3HB ALA 76 2HB ALA 76 -11.121 -6.535 1.241 584 H ASP 77 H ASP 77 -9.184 -6.867 -0.652 585 HA ASP 77 HA ASP 77 -7.836 -4.945 -2.191 586 1HB ASP 77 1HB ASP 77 -8.852 -7.204 -2.844 587 2HB ASP 77 2HB ASP 77 -10.373 -6.402 -3.046 588 H SER 78 H SER 78 -11.118 -5.178 -1.268 589 HA SER 78 HA SER 78 -12.236 -3.033 -2.776 590 1HB SER 78 1HB SER 78 -13.434 -4.918 -1.480 591 2HB SER 78 2HB SER 78 -13.296 -3.869 -0.053 592 HG SER 78 HG SER 78 -14.752 -3.628 -2.447 593 H ASP 79 H ASP 79 -10.267 -2.928 0.035 594 HA ASP 79 HA ASP 79 -10.904 -0.086 0.638 595 1HB ASP 79 1HB ASP 79 -9.897 -2.141 2.243 596 2HB ASP 79 2HB ASP 79 -8.481 -1.134 1.960 597 H PHE 80 H PHE 80 -7.961 -1.961 -0.181 598 HA PHE 80 HA PHE 80 -6.305 0.243 -0.656 599 1HB PHE 80 1HB PHE 80 -6.159 -2.502 -1.980 600 2HB PHE 80 2HB PHE 80 -4.876 -1.312 -1.971 601 HD1 PHE 80 HD1 PHE 80 -3.817 -0.627 0.270 602 HD2 PHE 80 HD2 PHE 80 -6.347 -4.049 -0.212 603 HE1 PHE 80 HE1 PHE 80 -2.877 -1.600 2.333 604 HE2 PHE 80 HE2 PHE 80 -5.412 -5.053 1.865 605 HZ PHE 80 HZ PHE 80 -3.643 -3.859 3.125 606 H LEU 81 H LEU 81 -8.151 -1.674 -3.087 607 HA LEU 81 HA LEU 81 -7.277 -0.270 -5.370 608 1HB LEU 81 1HB LEU 81 -8.563 -2.440 -5.315 609 2HB LEU 81 2HB LEU 81 -9.994 -1.565 -4.834 610 HG LEU 81 HG LEU 81 -9.998 -0.287 -6.947 611 1HD1 LEU 81 1HD1 LEU 81 -7.664 -2.067 -7.774 612 2HD1 LEU 81 2HD1 LEU 81 -8.582 -0.977 -8.840 613 3HD1 LEU 81 3HD1 LEU 81 -7.598 -0.299 -7.549 614 1HD2 LEU 81 1HD2 LEU 81 -11.240 -2.414 -6.726 615 2HD2 LEU 81 2HD2 LEU 81 -10.699 -2.133 -8.396 616 3HD2 LEU 81 3HD2 LEU 81 -9.807 -3.281 -7.365 617 H ALA 82 H ALA 82 -10.142 0.079 -3.399 618 HA ALA 82 HA ALA 82 -11.360 2.236 -4.772 619 1HB ALA 82 2HB ALA 82 -12.647 2.649 -2.713 620 2HB ALA 82 3HB ALA 82 -12.562 0.936 -3.107 621 3HB ALA 82 1HB ALA 82 -11.553 1.603 -1.792 622 H LEU 83 H LEU 83 -8.982 2.373 -2.075 623 HA LEU 83 HA LEU 83 -9.157 5.142 -1.564 624 1HB LEU 83 1HB LEU 83 -7.124 3.016 -1.022 625 2HB LEU 83 2HB LEU 83 -6.465 4.643 -1.171 626 HG LEU 83 HG LEU 83 -8.218 5.463 0.440 627 1HD1 LEU 83 1HD1 LEU 83 -9.712 3.378 0.169 628 2HD1 LEU 83 2HD1 LEU 83 -8.529 2.518 1.151 629 3HD1 LEU 83 3HD1 LEU 83 -9.403 3.911 1.813 630 1HD2 LEU 83 1HD2 LEU 83 -5.884 5.102 1.110 631 2HD2 LEU 83 2HD2 LEU 83 -6.987 4.656 2.428 632 3HD2 LEU 83 3HD2 LEU 83 -6.233 3.402 1.430 633 H MET 84 H MET 84 -6.636 3.578 -3.567 634 HA MET 84 HA MET 84 -5.898 6.130 -4.626 635 1HB MET 84 1HB MET 84 -4.442 4.718 -6.127 636 2HB MET 84 2HB MET 84 -4.153 4.806 -4.387 637 1HG MET 84 1HG MET 84 -5.768 2.487 -5.123 638 2HG MET 84 2HG MET 84 -4.208 2.550 -5.933 639 1HE MET 84 1HE MET 84 -2.128 3.781 -4.283 640 2HE MET 84 2HE MET 84 -1.754 2.972 -2.753 641 3HE MET 84 3HE MET 84 -1.621 2.094 -4.247 642 H THR 85 H THR 85 -8.245 3.740 -5.844 643 HA THR 85 HA THR 85 -8.389 4.942 -8.455 644 HB THR 85 HB THR 85 -10.356 3.157 -6.959 645 HG1 THR 85 HG1 THR 85 -8.591 2.054 -7.045 646 1HG2 THR 85 1HG2 THR 85 -9.998 3.636 -9.941 647 2HG2 THR 85 2HG2 THR 85 -10.942 2.301 -9.223 648 3HG2 THR 85 3HG2 THR 85 -11.440 3.975 -8.959 649 H GLY 86 H GLY 86 -9.508 6.109 -5.381 650 1HA GLY 86 1HA GLY 86 -10.352 8.289 -5.199 651 2HA GLY 86 2HA GLY 86 -10.945 8.236 -6.849 652 H LYS 87 H LYS 87 -11.708 5.535 -4.778 653 HA LYS 87 HA LYS 87 -14.521 6.492 -4.486 654 1HB LYS 87 1HB LYS 87 -14.119 4.495 -5.927 655 2HB LYS 87 2HB LYS 87 -13.561 3.593 -4.526 656 1HG LYS 87 1HG LYS 87 -15.734 3.535 -3.556 657 2HG LYS 87 2HG LYS 87 -16.229 4.976 -4.425 658 1HD LYS 87 1HD LYS 87 -16.057 3.575 -6.578 659 2HD LYS 87 2HD LYS 87 -16.090 2.168 -5.512 660 1HE LYS 87 1HE LYS 87 -18.170 4.394 -5.335 661 2HE LYS 87 2HE LYS 87 -18.287 3.139 -6.562 662 1HZ LYS 87 1HZ LYS 87 -18.407 1.477 -4.851 663 2HZ LYS 87 2HZ LYS 87 -18.335 2.608 -3.648 664 3HZ LYS 87 3HZ LYS 87 -19.589 2.590 -4.700 665 H MET 88 H MET 88 -11.706 5.498 -2.821 666 HA MET 88 HA MET 88 -11.110 4.918 -0.809 667 1HB MET 88 1HB MET 88 -12.079 7.471 -0.639 668 2HB MET 88 2HB MET 88 -13.023 6.690 0.613 669 1HG MET 88 1HG MET 88 -10.481 5.681 1.077 670 2HG MET 88 2HG MET 88 -10.109 7.286 0.470 671 1HE MET 88 1HE MET 88 -12.376 9.075 1.530 672 2HE MET 88 2HE MET 88 -11.821 9.569 3.135 673 3HE MET 88 3HE MET 88 -10.672 9.518 1.782 674 H ASN 89 H ASN 89 -11.937 4.530 1.646 675 HA ASN 89 HA ASN 89 -14.408 3.109 1.958 676 1HB ASN 89 1HB ASN 89 -11.870 1.605 1.450 677 2HB ASN 89 2HB ASN 89 -12.615 1.226 2.991 678 2HD2 ASN 89 1HD2 ASN 89 -14.057 1.778 -0.323 679 1HD2 ASN 89 2HD2 ASN 89 -14.979 0.288 -0.268 680 HA PRO 90 HA PRO 90 -13.255 4.937 5.837 681 1HB PRO 90 1HB PRO 90 -15.036 3.870 7.604 682 2HB PRO 90 2HB PRO 90 -15.561 4.797 6.176 683 1HG PRO 90 1HG PRO 90 -15.325 1.776 6.418 684 2HG PRO 90 2HG PRO 90 -16.763 2.727 5.911 685 1HD PRO 90 1HD PRO 90 -15.017 1.675 4.093 686 2HD PRO 90 2HD PRO 90 -15.782 3.275 3.839 687 H GLN 91 H GLN 91 -11.387 2.913 5.146 688 HA GLN 91 HA GLN 91 -9.816 1.513 5.810 689 1HB GLN 91 1HB GLN 91 -9.177 3.632 6.882 690 2HB GLN 91 2HB GLN 91 -9.929 3.135 8.393 691 1HG GLN 91 1HG GLN 91 -8.334 1.366 8.707 692 2HG GLN 91 2HG GLN 91 -7.811 1.445 7.026 693 2HE2 GLN 91 1HE2 GLN 91 -6.278 1.794 9.767 694 1HE2 GLN 91 2HE2 GLN 91 -5.398 3.267 9.459 695 H SER 92 H SER 92 -11.192 -0.290 5.651 696 HA SER 92 HA SER 92 -12.997 -1.466 7.193 697 1HB SER 92 1HB SER 92 -11.712 -3.742 6.532 698 2HB SER 92 2HB SER 92 -12.531 -2.734 5.338 699 HG SER 92 HG SER 92 -10.666 -1.826 4.703 700 H ALA 93 H ALA 93 -9.466 -1.853 7.835 701 HA ALA 93 HA ALA 93 -9.368 -3.629 9.865 702 1HB ALA 93 1HB ALA 93 -7.801 -1.143 9.078 703 2HB ALA 93 3HB ALA 93 -7.356 -2.853 8.945 704 3HB ALA 93 2HB ALA 93 -7.420 -2.037 10.517 705 H PHE 94 H PHE 94 -10.126 -0.198 10.211 706 HA PHE 94 HA PHE 94 -10.759 1.084 11.978 707 1HB PHE 94 1HB PHE 94 -12.529 -0.002 10.332 708 2HB PHE 94 2HB PHE 94 -13.096 -0.833 11.749 709 HD1 PHE 94 HD1 PHE 94 -11.896 2.708 11.035 710 HD2 PHE 94 HD2 PHE 94 -15.180 0.199 12.312 711 HE1 PHE 94 HE1 PHE 94 -13.208 4.713 11.618 712 HE2 PHE 94 HE2 PHE 94 -16.531 2.241 12.732 713 HZ PHE 94 HZ PHE 94 -15.521 4.484 12.491 714 H PHE 95 H PHE 95 -12.913 0.335 13.821 715 HA PHE 95 HA PHE 95 -11.550 -0.754 16.140 716 1HB PHE 95 1HB PHE 95 -14.373 0.038 15.415 717 2HB PHE 95 2HB PHE 95 -14.137 -0.989 16.801 718 HD1 PHE 95 HD1 PHE 95 -12.336 -0.312 18.532 719 HD2 PHE 95 HD2 PHE 95 -14.224 2.433 15.780 720 HE1 PHE 95 HE1 PHE 95 -11.737 1.596 20.032 721 HE2 PHE 95 HE2 PHE 95 -13.665 4.330 17.292 722 HZ PHE 95 HZ PHE 95 -12.406 3.898 19.387 723 H GLN 96 H GLN 96 -12.493 -2.304 13.294 724 HA GLN 96 HA GLN 96 -14.060 -4.498 14.364 725 1HB GLN 96 1HB GLN 96 -12.703 -3.786 11.697 726 2HB GLN 96 2HB GLN 96 -13.406 -5.381 11.991 727 1HG GLN 96 1HG GLN 96 -15.524 -3.965 12.794 728 2HG GLN 96 2HG GLN 96 -14.832 -2.754 11.731 729 2HE2 GLN 96 1HE2 GLN 96 -14.441 -3.449 9.400 730 1HE2 GLN 96 2HE2 GLN 96 -15.605 -4.573 8.728 731 H GLY 97 H GLY 97 -10.700 -4.047 13.266 732 1HA GLY 97 1HA GLY 97 -8.761 -5.157 13.979 733 2HA GLY 97 2HA GLY 97 -9.736 -6.273 14.950 734 H LYS 98 H LYS 98 -9.246 -5.337 11.537 735 HA LYS 98 HA LYS 98 -9.541 -8.099 10.497 736 1HB LYS 98 1HB LYS 98 -8.521 -5.587 9.075 737 2HB LYS 98 2HB LYS 98 -8.813 -7.153 8.355 738 1HG LYS 98 1HG LYS 98 -11.263 -6.398 9.589 739 2HG LYS 98 2HG LYS 98 -10.618 -4.981 8.770 740 1HD LYS 98 1HD LYS 98 -11.966 -5.967 7.176 741 2HD LYS 98 2HD LYS 98 -10.324 -6.408 6.687 742 1HE LYS 98 1HE LYS 98 -10.665 -8.653 7.770 743 2HE LYS 98 2HE LYS 98 -12.278 -8.144 8.298 744 1HZ LYS 98 1HZ LYS 98 -12.679 -7.762 5.836 745 2HZ LYS 98 2HZ LYS 98 -11.329 -8.640 5.533 746 3HZ LYS 98 3HZ LYS 98 -12.629 -9.313 6.308 747 H LEU 99 H LEU 99 -7.878 -8.119 12.530 748 HA LEU 99 HA LEU 99 -5.848 -8.086 13.478 749 1HB LEU 99 1HB LEU 99 -4.408 -9.747 12.905 750 2HB LEU 99 2HB LEU 99 -5.996 -10.350 12.472 751 HG LEU 99 HG LEU 99 -3.858 -9.354 10.509 752 1HD1 LEU 99 1HD1 LEU 99 -3.192 -11.321 11.731 753 2HD1 LEU 99 2HD1 LEU 99 -4.699 -12.132 11.243 754 3HD1 LEU 99 3HD1 LEU 99 -3.487 -11.668 10.022 755 1HD2 LEU 99 1HD2 LEU 99 -6.694 -10.135 10.133 756 2HD2 LEU 99 2HD2 LEU 99 -5.567 -9.236 9.077 757 3HD2 LEU 99 3HD2 LEU 99 -5.563 -10.993 9.085 758 H LYS 100 H LYS 100 -6.240 -5.700 11.992 759 HA LYS 100 HA LYS 100 -4.231 -5.275 10.132 760 1HB LYS 100 2HB LYS 100 -6.310 -3.915 10.616 761 2HB LYS 100 1HB LYS 100 -4.974 -3.019 10.020 762 1HG LYS 100 1HG LYS 100 -4.464 -2.342 12.465 763 2HG LYS 100 2HG LYS 100 -5.843 -1.666 11.742 764 1HD LYS 100 1HD LYS 100 -6.894 -3.984 12.999 765 2HD LYS 100 2HD LYS 100 -5.654 -3.362 14.104 766 1HE LYS 100 1HE LYS 100 -6.773 -1.022 13.583 767 2HE LYS 100 2HE LYS 100 -8.139 -1.990 13.023 768 1HZ LYS 100 1HZ LYS 100 -7.944 -3.065 15.332 769 2HZ LYS 100 2HZ LYS 100 -7.012 -1.764 15.711 770 3HZ LYS 100 3HZ LYS 100 -8.570 -1.543 15.196 771 H ILE 101 H ILE 101 -2.186 -4.528 10.299 772 HA ILE 101 HA ILE 101 -1.262 -3.786 12.964 773 HB ILE 101 HB ILE 101 -0.139 -5.726 11.105 774 1HG1 ILE 101 2HG1 ILE 101 0.243 -5.229 14.025 775 2HG1 ILE 101 1HG1 ILE 101 1.167 -6.403 13.101 776 1HG2 ILE 101 1HG2 ILE 101 1.374 -3.831 10.586 777 2HG2 ILE 101 2HG2 ILE 101 1.861 -3.819 12.310 778 3HG2 ILE 101 3HG2 ILE 101 2.167 -5.251 11.319 779 1HD1 ILE 101 1HD1 ILE 101 -0.994 -7.502 12.374 780 2HD1 ILE 101 2HD1 ILE 101 -0.622 -7.594 14.101 781 3HD1 ILE 101 3HD1 ILE 101 -1.826 -6.447 13.516 782 H THR 102 H THR 102 0.828 -2.286 12.453 783 HA THR 102 HA THR 102 0.669 -0.664 10.157 784 HB THR 102 HB THR 102 0.671 1.524 11.356 785 HG1 THR 102 HG1 THR 102 1.048 1.146 13.408 786 1HG2 THR 102 1HG2 THR 102 -1.487 0.635 10.340 787 2HG2 THR 102 2HG2 THR 102 -1.969 0.164 11.980 788 3HG2 THR 102 3HG2 THR 102 -1.665 1.869 11.602 789 H GLY 103 H GLY 103 2.838 0.513 10.068 790 1HA GLY 103 1HA GLY 103 4.725 -0.348 12.222 791 2HA GLY 103 2HA GLY 103 5.189 -0.060 10.559 792 H ASN 104 H ASN 104 2.991 2.391 11.004 793 HA ASN 104 HA ASN 104 4.637 4.121 12.634 794 1HB ASN 104 1HB ASN 104 5.495 4.075 10.118 795 2HB ASN 104 2HB ASN 104 4.097 5.090 9.816 796 2HD2 ASN 104 1HD2 ASN 104 7.255 5.434 10.096 797 1HD2 ASN 104 2HD2 ASN 104 7.405 6.885 11.039 798 H MET 105 H MET 105 3.525 6.161 12.953 799 HA MET 105 HA MET 105 0.663 6.015 13.330 800 1HB MET 105 1HB MET 105 2.922 7.623 14.199 801 2HB MET 105 2HB MET 105 1.780 8.710 13.431 802 1HG MET 105 1HG MET 105 1.114 6.734 15.643 803 2HG MET 105 2HG MET 105 1.487 8.433 15.891 804 1HE MET 105 1HE MET 105 -0.030 10.437 15.382 805 2HE MET 105 2HE MET 105 -0.082 10.045 13.649 806 3HE MET 105 3HE MET 105 -1.586 10.352 14.536 807 H GLY 106 H GLY 106 -0.908 6.741 11.894 808 1HA GLY 106 1HA GLY 106 -1.884 7.855 10.160 809 2HA GLY 106 2HA GLY 106 -0.523 8.971 10.200 810 H LEU 107 H LEU 107 0.194 5.564 9.577 811 HA LEU 107 HA LEU 107 1.555 6.306 7.244 812 1HB LEU 107 2HB LEU 107 2.019 4.352 8.820 813 2HB LEU 107 1HB LEU 107 2.338 4.191 7.107 814 HG LEU 107 HG LEU 107 0.309 2.858 6.770 815 1HD1 LEU 107 1HD1 LEU 107 2.458 1.801 7.281 816 2HD1 LEU 107 2HD1 LEU 107 2.121 1.910 9.012 817 3HD1 LEU 107 3HD1 LEU 107 1.124 0.851 7.967 818 1HD2 LEU 107 1HD2 LEU 107 -0.075 2.951 9.793 819 2HD2 LEU 107 2HD2 LEU 107 -1.178 3.650 8.612 820 3HD2 LEU 107 3HD2 LEU 107 -0.963 1.919 8.635 821 H ALA 108 H ALA 108 -1.766 5.472 7.607 822 HA ALA 108 HA ALA 108 -2.063 4.308 4.939 823 1HB ALA 108 2HB ALA 108 -4.463 4.098 5.633 824 2HB ALA 108 3HB ALA 108 -3.322 3.304 6.742 825 3HB ALA 108 1HB ALA 108 -4.043 4.867 7.178 826 H MET 109 H MET 109 -2.902 7.317 6.649 827 HA MET 109 HA MET 109 -3.643 8.603 4.073 828 1HB MET 109 1HB MET 109 -5.146 8.717 6.171 829 2HB MET 109 2HB MET 109 -3.912 9.786 6.856 830 1HG MET 109 1HG MET 109 -5.471 10.186 4.285 831 2HG MET 109 2HG MET 109 -5.809 10.966 5.810 832 1HE MET 109 1HE MET 109 -6.013 13.069 4.455 833 2HE MET 109 2HE MET 109 -4.704 13.903 3.583 834 3HE MET 109 3HE MET 109 -5.415 12.416 2.923 835 H LYS 110 H LYS 110 -1.216 8.074 3.655 836 HA LYS 110 HA LYS 110 0.591 9.779 5.173 837 1HB LYS 110 1HB LYS 110 0.981 7.429 3.541 838 2HB LYS 110 2HB LYS 110 1.952 8.725 2.884 839 1HG LYS 110 1HG LYS 110 2.073 7.516 5.641 840 2HG LYS 110 2HG LYS 110 3.326 7.606 4.422 841 1HD LYS 110 1HD LYS 110 4.138 9.273 5.710 842 2HD LYS 110 2HD LYS 110 2.944 10.289 4.906 843 1HE LYS 110 1HE LYS 110 1.360 9.715 6.871 844 2HE LYS 110 2HE LYS 110 2.685 8.823 7.576 845 1HZ LYS 110 1HZ LYS 110 3.957 11.019 7.465 846 2HZ LYS 110 2HZ LYS 110 2.472 11.724 7.223 847 3HZ LYS 110 3HZ LYS 110 2.776 10.841 8.577 848 H LEU 111 H LEU 111 -0.237 9.493 1.728 849 HA LEU 111 HA LEU 111 -0.829 12.217 1.396 850 1HB LEU 111 2HB LEU 111 1.536 12.695 1.478 851 2HB LEU 111 1HB LEU 111 0.911 12.920 -0.122 852 HG LEU 111 HG LEU 111 1.793 10.333 -0.341 853 1HD1 LEU 111 1HD1 LEU 111 2.216 12.243 -1.846 854 2HD1 LEU 111 2HD1 LEU 111 3.490 12.810 -0.797 855 3HD1 LEU 111 3HD1 LEU 111 3.652 11.237 -1.614 856 1HD2 LEU 111 1HD2 LEU 111 2.824 10.564 2.021 857 2HD2 LEU 111 2HD2 LEU 111 3.870 9.985 0.736 858 3HD2 LEU 111 3HD2 LEU 111 3.990 11.662 1.279 859 H GLN 112 H GLN 112 -1.416 12.631 -0.960 860 HA GLN 112 HA GLN 112 -2.523 10.237 -2.220 861 1HB GLN 112 1HB GLN 112 -2.660 13.194 -2.689 862 2HB GLN 112 2HB GLN 112 -2.647 12.216 -4.144 863 1HG GLN 112 1HG GLN 112 -4.929 12.593 -3.489 864 2HG GLN 112 2HG GLN 112 -4.543 10.878 -3.337 865 2HE2 GLN 112 1HE2 GLN 112 -5.064 9.909 -1.350 866 1HE2 GLN 112 2HE2 GLN 112 -5.422 10.801 0.100 867 H ASN 113 H ASN 113 0.257 12.445 -2.905 868 HA ASN 113 HA ASN 113 0.820 11.211 -5.386 869 1HB ASN 113 1HB ASN 113 1.735 13.453 -4.154 870 2HB ASN 113 2HB ASN 113 3.141 12.427 -3.912 871 2HD2 ASN 113 1HD2 ASN 113 3.399 10.982 -6.189 872 1HD2 ASN 113 2HD2 ASN 113 3.529 12.026 -7.594 873 H LEU 114 H LEU 114 1.321 9.772 -2.357 874 HA LEU 114 HA LEU 114 3.430 7.872 -3.193 875 1HB LEU 114 1HB LEU 114 3.189 8.495 -0.811 876 2HB LEU 114 2HB LEU 114 1.512 7.966 -0.832 877 HG LEU 114 HG LEU 114 2.388 5.584 -1.272 878 1HD1 LEU 114 1HD1 LEU 114 5.027 6.867 -0.421 879 2HD1 LEU 114 2HD1 LEU 114 4.728 5.129 -0.550 880 3HD1 LEU 114 3HD1 LEU 114 4.694 6.139 -1.998 881 1HD2 LEU 114 1HD2 LEU 114 3.023 7.031 1.317 882 2HD2 LEU 114 2HD2 LEU 114 1.524 6.207 0.883 883 3HD2 LEU 114 3HD2 LEU 114 2.995 5.262 1.127 884 H GLN 115 H GLN 115 -0.073 8.244 -3.364 885 HA GLN 115 HA GLN 115 -0.477 5.442 -4.207 886 1HB GLN 115 1HB GLN 115 -2.020 6.935 -2.025 887 2HB GLN 115 2HB GLN 115 -2.471 5.380 -2.699 888 1HG GLN 115 1HG GLN 115 -0.066 4.626 -1.970 889 2HG GLN 115 2HG GLN 115 -0.120 6.044 -0.925 890 2HE2 GLN 115 1HE2 GLN 115 -2.754 6.047 0.157 891 1HE2 GLN 115 2HE2 GLN 115 -2.958 4.520 0.980 892 H LEU 116 H LEU 116 -0.241 7.451 -6.025 893 HA LEU 116 HA LEU 116 -1.089 9.015 -7.290 894 1HB LEU 116 1HB LEU 116 -2.591 7.801 -8.977 895 2HB LEU 116 2HB LEU 116 -0.983 7.223 -8.667 896 HG LEU 116 HG LEU 116 -3.313 6.078 -7.207 897 1HD1 LEU 116 1HD1 LEU 116 -3.878 5.877 -9.605 898 2HD1 LEU 116 2HD1 LEU 116 -2.320 5.126 -9.918 899 3HD1 LEU 116 3HD1 LEU 116 -3.519 4.279 -8.916 900 1HD2 LEU 116 1HD2 LEU 116 -0.486 5.358 -7.344 901 2HD2 LEU 116 2HD2 LEU 116 -1.752 4.743 -6.287 902 3HD2 LEU 116 3HD2 LEU 116 -1.488 3.984 -7.833 903 H GLN 117 H GLN 117 -3.427 9.648 -8.563 904 HA GLN 117 HA GLN 117 -4.829 10.989 -6.388 905 1HB GLN 117 2HB GLN 117 -4.224 12.967 -7.287 906 2HB GLN 117 1HB GLN 117 -4.086 12.357 -8.916 907 1HG GLN 117 1HG GLN 117 -2.015 11.928 -6.758 908 2HG GLN 117 2HG GLN 117 -1.885 11.354 -8.406 909 2HE2 GLN 117 1HE2 GLN 117 -1.385 14.178 -6.299 910 1HE2 GLN 117 2HE2 GLN 117 -0.810 15.180 -7.609 911 HA PRO 118 HA PRO 118 -8.411 9.912 -8.822 912 1HB PRO 118 1HB PRO 118 -10.333 11.537 -7.805 913 2HB PRO 118 2HB PRO 118 -9.583 10.265 -6.823 914 1HG PRO 118 1HG PRO 118 -8.882 13.197 -6.892 915 2HG PRO 118 2HG PRO 118 -9.175 12.185 -5.451 916 1HD PRO 118 1HD PRO 118 -6.638 12.720 -6.423 917 2HD PRO 118 2HD PRO 118 -7.067 11.176 -5.630 918 H GLY 119 H GLY 119 -10.084 11.090 -10.277 919 1HA GLY 119 1HA GLY 119 -8.810 13.344 -11.722 920 2HA GLY 119 2HA GLY 119 -9.284 11.822 -12.476 921 H ASN 120 H ASN 120 -10.559 13.236 -13.854 922 HA ASN 120 HA ASN 120 -12.987 14.464 -12.648 923 1HB ASN 120 1HB ASN 120 -11.707 15.520 -14.519 924 2HB ASN 120 2HB ASN 120 -12.237 14.222 -15.587 925 2HD2 ASN 120 1HD2 ASN 120 -14.055 14.810 -16.787 926 1HD2 ASN 120 2HD2 ASN 120 -15.223 16.005 -16.254 927 H ALA 121 H ALA 121 -12.102 11.484 -14.313 928 HA ALA 121 HA ALA 121 -13.264 9.794 -15.220 929 1HB ALA 121 1HB ALA 121 -12.982 9.356 -12.802 930 2HB ALA 121 3HB ALA 121 -14.342 8.499 -13.492 931 3HB ALA 121 2HB ALA 121 -14.619 9.965 -12.508 932 H LYS 122 H LYS 122 -15.889 8.884 -14.468 933 HA LYS 122 HA LYS 122 -17.796 10.574 -13.975 934 1HB LYS 122 1HB LYS 122 -17.719 11.314 -16.424 935 2HB LYS 122 2HB LYS 122 -18.332 9.697 -16.828 936 1HG LYS 122 1HG LYS 122 -20.359 10.199 -15.418 937 2HG LYS 122 2HG LYS 122 -19.647 11.761 -14.990 938 1HD LYS 122 1HD LYS 122 -21.302 12.087 -16.673 939 2HD LYS 122 2HD LYS 122 -19.722 12.402 -17.417 940 1HE LYS 122 1HE LYS 122 -19.728 10.158 -18.415 941 2HE LYS 122 2HE LYS 122 -21.228 9.743 -17.582 942 1HZ LYS 122 1HZ LYS 122 -21.011 11.901 -19.582 943 2HZ LYS 122 2HZ LYS 122 -21.518 10.362 -19.907 944 3HZ LYS 122 3HZ LYS 122 -22.383 11.331 -18.877 945 H LEU 123 H LEU 123 -19.802 9.322 -13.619 946 HA LEU 123 HA LEU 123 -20.671 7.635 -12.503 947 1HB LEU 123 2HB LEU 123 -21.835 7.352 -14.551 948 2HB LEU 123 1HB LEU 123 -21.583 5.857 -13.706 949 HG LEU 123 HG LEU 123 -19.534 5.551 -15.387 950 1HD1 LEU 123 1HD1 LEU 123 -22.479 5.185 -16.129 951 2HD1 LEU 123 2HD1 LEU 123 -21.099 4.313 -16.857 952 3HD1 LEU 123 3HD1 LEU 123 -21.490 4.074 -15.162 953 1HD2 LEU 123 1HD2 LEU 123 -21.443 7.357 -16.961 954 2HD2 LEU 123 2HD2 LEU 123 -19.792 7.773 -16.487 955 3HD2 LEU 123 3HD2 LEU 123 -20.037 6.462 -17.618 No H/Q in entry = 955 Start of MODEL 6 1 H SER 1 H SER 1 -6.512 -22.141 -1.426 2 HA SER 1 HA SER 1 -3.798 -21.826 -1.778 3 1HB SER 1 2HB SER 1 -4.297 -21.832 -4.076 4 2HB SER 1 1HB SER 1 -5.863 -21.024 -3.852 5 HG SER 1 HG SER 1 -5.207 -23.614 -2.879 6 H SER 2 H SER 2 -2.724 -20.094 -0.951 7 HA SER 2 HA SER 2 -3.817 -17.350 -1.213 8 1HB SER 2 1HB SER 2 -1.645 -18.564 0.520 9 2HB SER 2 2HB SER 2 -2.227 -16.882 0.618 10 HG SER 2 HG SER 2 -3.888 -19.194 0.918 11 H ALA 3 H ALA 3 -1.528 -15.818 -1.166 12 HA ALA 3 HA ALA 3 -0.436 -14.654 -2.776 13 1HB ALA 3 1HB ALA 3 1.334 -15.802 -1.486 14 2HB ALA 3 3HB ALA 3 1.804 -15.522 -3.169 15 3HB ALA 3 2HB ALA 3 1.305 -17.137 -2.657 16 H SER 4 H SER 4 -2.267 -14.883 -4.288 17 HA SER 4 HA SER 4 -1.767 -16.515 -6.686 18 1HB SER 4 1HB SER 4 -4.065 -15.822 -5.757 19 2HB SER 4 2HB SER 4 -3.729 -14.207 -6.371 20 HG SER 4 HG SER 4 -3.360 -15.361 -8.472 21 H ASP 5 H ASP 5 -1.441 -13.135 -5.557 22 HA ASP 5 HA ASP 5 -0.887 -11.158 -6.579 23 1HB ASP 5 2HB ASP 5 1.351 -11.089 -6.978 24 2HB ASP 5 1HB ASP 5 1.395 -12.669 -7.770 25 H GLY 6 H GLY 6 -2.598 -12.923 -8.290 26 1HA GLY 6 1HA GLY 6 -1.863 -12.203 -11.060 27 2HA GLY 6 2HA GLY 6 -3.118 -13.317 -10.552 28 H PHE 7 H PHE 7 -3.366 -10.543 -8.690 29 HA PHE 7 HA PHE 7 -5.941 -9.889 -9.732 30 1HB PHE 7 1HB PHE 7 -4.079 -8.316 -7.895 31 2HB PHE 7 2HB PHE 7 -5.789 -8.015 -8.099 32 HD1 PHE 7 HD1 PHE 7 -5.259 -11.659 -7.761 33 HD2 PHE 7 HD2 PHE 7 -5.514 -7.911 -5.623 34 HE1 PHE 7 HE1 PHE 7 -5.527 -12.864 -5.641 35 HE2 PHE 7 HE2 PHE 7 -5.775 -9.140 -3.503 36 HZ PHE 7 HZ PHE 7 -5.841 -11.605 -3.511 37 H LYS 8 H LYS 8 -6.569 -8.084 -10.977 38 HA LYS 8 HA LYS 8 -4.773 -6.713 -12.681 39 1HB LYS 8 1HB LYS 8 -7.280 -7.003 -12.877 40 2HB LYS 8 2HB LYS 8 -7.467 -5.751 -11.655 41 1HG LYS 8 1HG LYS 8 -5.688 -4.871 -13.864 42 2HG LYS 8 2HG LYS 8 -7.209 -5.489 -14.469 43 1HD LYS 8 1HD LYS 8 -8.271 -3.940 -12.598 44 2HD LYS 8 2HD LYS 8 -6.712 -3.097 -12.693 45 1HE LYS 8 1HE LYS 8 -7.068 -2.881 -15.177 46 2HE LYS 8 2HE LYS 8 -8.617 -3.722 -15.006 47 1HZ LYS 8 1HZ LYS 8 -9.268 -1.870 -13.470 48 2HZ LYS 8 2HZ LYS 8 -7.918 -1.062 -13.954 49 3HZ LYS 8 3HZ LYS 8 -9.098 -1.463 -15.038 50 H ALA 9 H ALA 9 -5.545 -6.084 -9.331 51 HA ALA 9 HA ALA 9 -4.637 -3.451 -8.900 52 1HB ALA 9 2HB ALA 9 -4.258 -4.307 -6.608 53 2HB ALA 9 1HB ALA 9 -4.515 -5.961 -7.200 54 3HB ALA 9 3HB ALA 9 -5.837 -4.778 -7.264 55 H ASN 10 H ASN 10 -2.725 -5.864 -10.311 56 HA ASN 10 HA ASN 10 -0.327 -5.778 -8.898 57 1HB ASN 10 1HB ASN 10 -1.119 -7.083 -11.114 58 2HB ASN 10 2HB ASN 10 -0.189 -5.831 -11.917 59 2HD2 ASN 10 1HD2 ASN 10 -0.098 -8.571 -9.729 60 1HD2 ASN 10 2HD2 ASN 10 1.596 -8.679 -9.450 61 H LEU 11 H LEU 11 -1.340 -3.720 -11.615 62 HA LEU 11 HA LEU 11 0.922 -2.003 -11.638 63 1HB LEU 11 1HB LEU 11 0.089 -1.162 -13.389 64 2HB LEU 11 2HB LEU 11 -0.960 -2.541 -13.389 65 HG LEU 11 HG LEU 11 -2.070 -0.515 -14.034 66 1HD1 LEU 11 1HD1 LEU 11 -3.434 -2.197 -12.953 67 2HD1 LEU 11 2HD1 LEU 11 -3.137 -1.490 -11.357 68 3HD1 LEU 11 3HD1 LEU 11 -4.037 -0.578 -12.579 69 1HD2 LEU 11 1HD2 LEU 11 -0.511 0.844 -12.369 70 2HD2 LEU 11 2HD2 LEU 11 -2.045 1.478 -12.976 71 3HD2 LEU 11 3HD2 LEU 11 -1.950 0.781 -11.342 72 H VAL 12 H VAL 12 -1.959 -1.864 -9.604 73 HA VAL 12 HA VAL 12 -1.638 0.868 -8.872 74 HB VAL 12 HB VAL 12 -3.108 -1.481 -7.679 75 1HG1 VAL 12 1HG1 VAL 12 -2.700 1.186 -6.341 76 2HG1 VAL 12 2HG1 VAL 12 -4.010 0.044 -5.904 77 3HG1 VAL 12 3HG1 VAL 12 -2.324 -0.407 -5.646 78 1HG2 VAL 12 1HG2 VAL 12 -4.082 -0.108 -9.524 79 2HG2 VAL 12 2HG2 VAL 12 -5.027 -0.001 -8.021 80 3HG2 VAL 12 3HG2 VAL 12 -3.954 1.330 -8.476 81 H PHE 13 H PHE 13 -0.337 -2.082 -7.208 82 HA PHE 13 HA PHE 13 1.053 -0.351 -5.314 83 1HB PHE 13 1HB PHE 13 1.390 -3.266 -5.902 84 2HB PHE 13 2HB PHE 13 2.179 -2.408 -4.577 85 HD1 PHE 13 HD1 PHE 13 0.435 -1.106 -2.913 86 HD2 PHE 13 HD2 PHE 13 -0.380 -4.549 -5.333 87 HE1 PHE 13 HE1 PHE 13 -1.354 -1.814 -1.332 88 HE2 PHE 13 HE2 PHE 13 -2.125 -5.268 -3.739 89 HZ PHE 13 HZ PHE 13 -2.655 -3.852 -1.747 90 H LYS 14 H LYS 14 1.758 -1.351 -8.597 91 HA LYS 14 HA LYS 14 4.622 -1.004 -8.287 92 1HB LYS 14 1HB LYS 14 3.316 -2.309 -10.042 93 2HB LYS 14 2HB LYS 14 2.946 -0.777 -10.812 94 1HG LYS 14 1HG LYS 14 5.226 -0.244 -11.259 95 2HG LYS 14 2HG LYS 14 5.837 -1.412 -10.094 96 1HD LYS 14 1HD LYS 14 5.158 -3.291 -11.392 97 2HD LYS 14 2HD LYS 14 4.157 -2.279 -12.460 98 1HE LYS 14 1HE LYS 14 6.085 -1.152 -13.325 99 2HE LYS 14 2HE LYS 14 7.155 -1.994 -12.180 100 1HZ LYS 14 1HZ LYS 14 5.525 -3.386 -14.221 101 2HZ LYS 14 2HZ LYS 14 7.102 -2.962 -14.447 102 3HZ LYS 14 3HZ LYS 14 6.714 -4.035 -13.253 103 H GLU 15 H GLU 15 1.865 1.011 -9.287 104 HA GLU 15 HA GLU 15 3.386 3.258 -10.000 105 1HB GLU 15 1HB GLU 15 0.774 3.364 -8.424 106 2HB GLU 15 2HB GLU 15 1.534 4.724 -9.251 107 1HG GLU 15 1HG GLU 15 0.331 2.245 -10.483 108 2HG GLU 15 2HG GLU 15 -0.226 3.876 -10.630 109 H ILE 16 H ILE 16 2.777 2.125 -6.756 110 HA ILE 16 HA ILE 16 3.868 4.298 -5.265 111 HB ILE 16 HB ILE 16 3.547 1.324 -4.735 112 1HG1 ILE 16 1HG1 ILE 16 1.796 3.518 -3.613 113 2HG1 ILE 16 2HG1 ILE 16 1.390 2.803 -5.161 114 1HG2 ILE 16 1HG2 ILE 16 4.186 3.524 -2.788 115 2HG2 ILE 16 2HG2 ILE 16 3.705 1.878 -2.318 116 3HG2 ILE 16 3HG2 ILE 16 5.210 2.145 -3.205 117 1HD1 ILE 16 1HD1 ILE 16 1.867 0.610 -3.388 118 2HD1 ILE 16 2HD1 ILE 16 0.900 1.797 -2.486 119 3HD1 ILE 16 3HD1 ILE 16 0.337 1.178 -4.046 120 H GLU 17 H GLU 17 5.282 1.143 -6.365 121 HA GLU 17 HA GLU 17 7.987 1.588 -5.621 122 1HB GLU 17 1HB GLU 17 7.127 -0.593 -6.404 123 2HB GLU 17 2HB GLU 17 6.798 0.073 -7.971 124 1HG GLU 17 1HG GLU 17 9.342 0.568 -8.160 125 2HG GLU 17 2HG GLU 17 9.509 -0.444 -6.721 126 H LYS 18 H LYS 18 6.249 2.355 -8.599 127 HA LYS 18 HA LYS 18 8.418 3.210 -10.072 128 1HB LYS 18 1HB LYS 18 6.038 2.559 -10.785 129 2HB LYS 18 2HB LYS 18 5.550 4.208 -10.352 130 1HG LYS 18 1HG LYS 18 7.309 5.014 -11.983 131 2HG LYS 18 2HG LYS 18 7.567 3.332 -12.455 132 1HD LYS 18 1HD LYS 18 5.242 3.100 -13.176 133 2HD LYS 18 2HD LYS 18 4.833 4.695 -12.548 134 1HE LYS 18 2HE LYS 18 5.037 4.819 -14.945 135 2HE LYS 18 1HE LYS 18 6.638 4.065 -14.906 136 1HZ LYS 18 1HZ LYS 18 6.071 6.641 -13.573 137 2HZ LYS 18 2HZ LYS 18 7.537 5.934 -13.881 138 3HZ LYS 18 3HZ LYS 18 6.649 6.517 -15.124 139 H LYS 19 H LYS 19 6.234 5.079 -7.911 140 HA LYS 19 HA LYS 19 7.568 7.597 -8.414 141 1HB LYS 19 1HB LYS 19 5.227 7.440 -7.519 142 2HB LYS 19 2HB LYS 19 5.861 6.720 -6.039 143 1HG LYS 19 2HG LYS 19 7.161 8.830 -5.605 144 2HG LYS 19 1HG LYS 19 5.415 9.034 -5.600 145 1HD LYS 19 1HD LYS 19 7.116 9.676 -8.049 146 2HD LYS 19 2HD LYS 19 5.404 10.056 -7.772 147 1HE LYS 19 1HE LYS 19 6.162 11.458 -5.776 148 2HE LYS 19 2HE LYS 19 7.835 11.147 -6.283 149 1HZ LYS 19 1HZ LYS 19 7.257 12.174 -8.425 150 2HZ LYS 19 2HZ LYS 19 5.775 12.603 -7.815 151 3HZ LYS 19 3HZ LYS 19 7.193 13.202 -7.178 152 H LEU 20 H LEU 20 8.045 4.877 -6.125 153 HA LEU 20 HA LEU 20 9.905 6.188 -4.460 154 1HB LEU 20 1HB LEU 20 8.742 3.509 -4.825 155 2HB LEU 20 2HB LEU 20 10.440 3.391 -4.523 156 HG LEU 20 HG LEU 20 9.440 5.313 -2.626 157 1HD1 LEU 20 1HD1 LEU 20 7.705 2.816 -2.756 158 2HD1 LEU 20 2HD1 LEU 20 7.729 4.021 -1.445 159 3HD1 LEU 20 3HD1 LEU 20 7.184 4.484 -3.071 160 1HD2 LEU 20 1HD2 LEU 20 11.293 3.700 -2.340 161 2HD2 LEU 20 2HD2 LEU 20 10.145 3.664 -1.004 162 3HD2 LEU 20 3HD2 LEU 20 10.101 2.372 -2.222 163 H GLU 21 H GLU 21 10.407 4.192 -7.414 164 HA GLU 21 HA GLU 21 13.200 4.597 -7.453 165 1HB GLU 21 1HB GLU 21 11.383 4.462 -9.862 166 2HB GLU 21 2HB GLU 21 13.133 4.228 -9.874 167 1HG GLU 21 1HG GLU 21 11.267 2.437 -8.240 168 2HG GLU 21 2HG GLU 21 11.646 2.141 -9.927 169 H GLU 22 H GLU 22 10.678 6.833 -8.816 170 HA GLU 22 HA GLU 22 12.591 8.664 -9.878 171 1HB GLU 22 1HB GLU 22 9.702 9.133 -9.033 172 2HB GLU 22 2HB GLU 22 10.724 10.295 -9.882 173 1HG GLU 22 1HG GLU 22 11.088 8.206 -11.530 174 2HG GLU 22 2HG GLU 22 9.537 7.727 -10.893 175 H GLU 23 H GLU 23 11.034 8.604 -6.648 176 HA GLU 23 HA GLU 23 13.262 10.149 -5.618 177 1HB GLU 23 1HB GLU 23 11.284 11.660 -6.798 178 2HB GLU 23 2HB GLU 23 10.713 11.647 -5.132 179 1HG GLU 23 1HG GLU 23 13.051 12.229 -4.416 180 2HG GLU 23 2HG GLU 23 13.531 12.259 -6.116 181 H GLY 24 H GLY 24 12.481 7.634 -4.861 182 1HA GLY 24 1HA GLY 24 10.644 7.540 -2.679 183 2HA GLY 24 2HA GLY 24 11.751 6.271 -3.174 184 H GLU 25 H GLU 25 14.112 8.207 -2.760 185 HA GLU 25 HA GLU 25 15.045 7.548 -0.331 186 1HB GLU 25 1HB GLU 25 15.858 9.193 -2.308 187 2HB GLU 25 2HB GLU 25 15.493 10.436 -1.131 188 1HG GLU 25 1HG GLU 25 17.161 8.026 -0.299 189 2HG GLU 25 2HG GLU 25 17.878 9.236 -1.358 190 H GLN 26 H GLN 26 12.953 10.407 -0.970 191 HA GLN 26 HA GLN 26 12.998 11.228 1.762 192 1HB GLN 26 1HB GLN 26 12.331 12.382 -0.582 193 2HB GLN 26 2HB GLN 26 10.723 11.929 -0.076 194 1HG GLN 26 2HG GLN 26 11.047 14.176 0.648 195 2HG GLN 26 1HG GLN 26 12.701 13.865 1.154 196 2HE2 GLN 26 1HE2 GLN 26 13.127 12.850 3.205 197 1HE2 GLN 26 2HE2 GLN 26 11.877 12.785 4.438 198 H PHE 27 H PHE 27 10.890 9.019 -0.109 199 HA PHE 27 HA PHE 27 8.757 8.933 1.791 200 1HB PHE 27 1HB PHE 27 9.598 7.659 -0.793 201 2HB PHE 27 2HB PHE 27 8.673 6.620 0.250 202 HD1 PHE 27 HD1 PHE 27 6.603 8.146 1.497 203 HD2 PHE 27 HD2 PHE 27 8.302 8.666 -2.438 204 HE1 PHE 27 HE1 PHE 27 4.633 9.469 0.800 205 HE2 PHE 27 HE2 PHE 27 6.282 9.896 -3.153 206 HZ PHE 27 HZ PHE 27 4.445 10.329 -1.533 207 H VAL 28 H VAL 28 11.862 7.194 1.409 208 HA VAL 28 HA VAL 28 11.425 5.125 3.302 209 HB VAL 28 HB VAL 28 13.956 6.653 2.637 210 1HG1 VAL 28 1HG1 VAL 28 13.730 4.117 4.249 211 2HG1 VAL 28 2HG1 VAL 28 15.216 4.761 3.584 212 3HG1 VAL 28 3HG1 VAL 28 14.338 5.682 4.820 213 1HG2 VAL 28 1HG2 VAL 28 12.997 5.324 0.770 214 2HG2 VAL 28 2HG2 VAL 28 14.548 4.688 1.337 215 3HG2 VAL 28 3HG2 VAL 28 13.044 3.885 1.796 216 H LYS 29 H LYS 29 12.510 8.563 3.895 217 HA LYS 29 HA LYS 29 12.643 8.173 6.737 218 1HB LYS 29 1HB LYS 29 12.309 10.632 4.996 219 2HB LYS 29 2HB LYS 29 12.347 10.764 6.746 220 1HG LYS 29 1HG LYS 29 14.589 9.442 5.164 221 2HG LYS 29 2HG LYS 29 14.505 11.156 5.497 222 1HD LYS 29 1HD LYS 29 15.783 10.606 7.263 223 2HD LYS 29 2HD LYS 29 14.234 10.334 8.046 224 1HE LYS 29 1HE LYS 29 14.431 7.913 7.669 225 2HE LYS 29 2HE LYS 29 15.812 8.179 6.591 226 1HZ LYS 29 1HZ LYS 29 16.931 9.155 8.611 227 2HZ LYS 29 2HZ LYS 29 15.767 8.468 9.526 228 3HZ LYS 29 3HZ LYS 29 16.735 7.525 8.578 229 H LYS 30 H LYS 30 9.793 8.690 4.708 230 HA LYS 30 HA LYS 30 8.159 9.709 6.858 231 1HB LYS 30 1HB LYS 30 7.469 8.326 4.227 232 2HB LYS 30 2HB LYS 30 6.252 8.866 5.388 233 1HG LYS 30 1HG LYS 30 7.156 11.158 5.307 234 2HG LYS 30 2HG LYS 30 8.342 10.681 4.089 235 1HD LYS 30 1HD LYS 30 6.825 10.583 2.406 236 2HD LYS 30 2HD LYS 30 5.522 9.947 3.417 237 1HE LYS 30 1HE LYS 30 6.442 12.860 3.352 238 2HE LYS 30 2HE LYS 30 5.046 12.180 2.515 239 1HZ LYS 30 1HZ LYS 30 4.262 11.464 4.808 240 2HZ LYS 30 2HZ LYS 30 5.372 12.481 5.417 241 3HZ LYS 30 3HZ LYS 30 4.168 13.065 4.448 242 H ILE 31 H ILE 31 9.135 6.419 5.946 243 HA ILE 31 HA ILE 31 7.312 5.295 8.021 244 HB ILE 31 HB ILE 31 8.245 4.358 5.308 245 1HG1 ILE 31 1HG1 ILE 31 5.381 4.125 6.164 246 2HG1 ILE 31 2HG1 ILE 31 5.958 5.777 6.108 247 1HG2 ILE 31 1HG2 ILE 31 6.908 2.727 7.485 248 2HG2 ILE 31 2HG2 ILE 31 7.017 2.260 5.779 249 3HG2 ILE 31 3HG2 ILE 31 8.503 2.438 6.724 250 1HD1 ILE 31 1HD1 ILE 31 6.715 5.509 3.798 251 2HD1 ILE 31 2HD1 ILE 31 6.093 3.840 3.783 252 3HD1 ILE 31 3HD1 ILE 31 4.978 5.201 3.982 253 H GLY 32 H GLY 32 10.512 4.692 6.396 254 1HA GLY 32 1HA GLY 32 12.460 3.887 7.147 255 2HA GLY 32 2HA GLY 32 12.000 4.448 8.762 256 H GLY 33 H GLY 33 11.034 1.805 6.399 257 1HA GLY 33 1HA GLY 33 11.679 -0.250 8.277 258 2HA GLY 33 2HA GLY 33 9.945 0.152 8.301 259 H ILE 34 H ILE 34 10.585 -2.392 7.606 260 HA ILE 34 HA ILE 34 9.794 -2.435 4.738 261 HB ILE 34 HB ILE 34 10.821 -4.755 6.436 262 1HG1 ILE 34 2HG1 ILE 34 11.880 -3.393 3.925 263 2HG1 ILE 34 1HG1 ILE 34 12.302 -5.051 4.287 264 1HG2 ILE 34 1HG2 ILE 34 9.508 -4.735 3.681 265 2HG2 ILE 34 2HG2 ILE 34 10.337 -6.138 4.384 266 3HG2 ILE 34 3HG2 ILE 34 8.883 -5.520 5.142 267 1HD1 ILE 34 1HD1 ILE 34 12.940 -2.680 6.087 268 2HD1 ILE 34 2HD1 ILE 34 13.323 -4.386 6.417 269 3HD1 ILE 34 3HD1 ILE 34 14.047 -3.550 5.032 270 H PHE 35 H PHE 35 7.627 -3.017 4.402 271 HA PHE 35 HA PHE 35 6.315 -4.432 6.591 272 1HB PHE 35 2HB PHE 35 5.634 -2.152 7.021 273 2HB PHE 35 1HB PHE 35 4.269 -3.124 6.501 274 HD1 PHE 35 HD1 PHE 35 3.730 -2.969 3.862 275 HD2 PHE 35 HD2 PHE 35 5.984 -0.040 6.077 276 HE1 PHE 35 HE1 PHE 35 3.040 -1.247 2.282 277 HE2 PHE 35 HE2 PHE 35 5.240 1.714 4.467 278 HZ PHE 35 HZ PHE 35 3.745 1.123 2.584 279 H ALA 36 H ALA 36 4.347 -5.496 5.878 280 HA ALA 36 HA ALA 36 4.291 -6.106 2.953 281 1HB ALA 36 2HB ALA 36 3.172 -8.232 3.703 282 2HB ALA 36 3HB ALA 36 4.848 -8.075 4.244 283 3HB ALA 36 1HB ALA 36 3.520 -7.783 5.379 284 H PHE 37 H PHE 37 2.053 -6.590 2.169 285 HA PHE 37 HA PHE 37 -0.027 -4.749 3.323 286 1HB PHE 37 1HB PHE 37 1.316 -5.076 0.608 287 2HB PHE 37 2HB PHE 37 -0.398 -4.800 0.603 288 HD1 PHE 37 HD1 PHE 37 -0.240 -2.701 3.132 289 HD2 PHE 37 HD2 PHE 37 1.629 -3.157 -0.742 290 HE1 PHE 37 HE1 PHE 37 0.041 -0.310 2.980 291 HE2 PHE 37 HE2 PHE 37 1.927 -0.760 -0.873 292 HZ PHE 37 HZ PHE 37 1.072 0.750 0.953 293 H LYS 38 H LYS 38 -1.543 -6.361 4.148 294 HA LYS 38 HA LYS 38 -1.501 -8.927 2.761 295 1HB LYS 38 1HB LYS 38 -1.503 -8.359 5.332 296 2HB LYS 38 2HB LYS 38 -3.210 -8.121 5.184 297 1HG LYS 38 1HG LYS 38 -2.795 -10.342 5.999 298 2HG LYS 38 2HG LYS 38 -3.391 -10.526 4.338 299 1HD LYS 38 1HD LYS 38 -1.255 -11.118 3.518 300 2HD LYS 38 2HD LYS 38 -0.407 -10.340 4.861 301 1HE LYS 38 1HE LYS 38 -1.249 -12.096 6.409 302 2HE LYS 38 2HE LYS 38 -2.009 -12.925 5.033 303 1HZ LYS 38 1HZ LYS 38 0.878 -12.290 5.182 304 2HZ LYS 38 2HZ LYS 38 0.284 -13.750 5.606 305 3HZ LYS 38 3HZ LYS 38 0.170 -13.185 4.051 306 H VAL 39 H VAL 39 -2.630 -8.789 0.791 307 HA VAL 39 HA VAL 39 -5.153 -7.307 0.866 308 HB VAL 39 HB VAL 39 -3.921 -8.417 -1.678 309 1HG1 VAL 39 1HG1 VAL 39 -5.530 -5.947 -0.913 310 2HG1 VAL 39 2HG1 VAL 39 -4.951 -6.290 -2.547 311 3HG1 VAL 39 3HG1 VAL 39 -6.120 -7.373 -1.780 312 1HG2 VAL 39 1HG2 VAL 39 -2.888 -5.965 -0.205 313 2HG2 VAL 39 2HG2 VAL 39 -1.987 -7.398 -0.747 314 3HG2 VAL 39 3HG2 VAL 39 -2.650 -6.303 -1.929 315 H LYS 40 H LYS 40 -6.975 -8.394 1.144 316 HA LYS 40 HA LYS 40 -7.335 -11.082 -0.080 317 1HB LYS 40 1HB LYS 40 -9.153 -11.271 1.804 318 2HB LYS 40 2HB LYS 40 -7.469 -11.592 2.099 319 1HG LYS 40 1HG LYS 40 -7.234 -9.258 3.127 320 2HG LYS 40 2HG LYS 40 -8.962 -9.043 2.846 321 1HD LYS 40 1HD LYS 40 -8.636 -9.641 5.150 322 2HD LYS 40 2HD LYS 40 -9.348 -11.077 4.366 323 1HE LYS 40 1HE LYS 40 -7.162 -12.117 4.147 324 2HE LYS 40 2HE LYS 40 -6.329 -10.631 4.575 325 1HZ LYS 40 1HZ LYS 40 -7.931 -12.245 6.453 326 2HZ LYS 40 2HZ LYS 40 -6.290 -12.229 6.276 327 3HZ LYS 40 3HZ LYS 40 -7.007 -10.893 6.836 328 H ASP 41 H ASP 41 -9.720 -11.465 -0.343 329 HA ASP 41 HA ASP 41 -11.394 -11.089 -1.946 330 1HB ASP 41 1HB ASP 41 -12.245 -9.963 0.169 331 2HB ASP 41 2HB ASP 41 -11.705 -8.430 -0.492 332 H GLY 42 H GLY 42 -9.066 -10.743 -3.117 333 1HA GLY 42 1HA GLY 42 -8.892 -8.269 -4.646 334 2HA GLY 42 2HA GLY 42 -8.052 -9.792 -4.952 335 HA PRO 43 HA PRO 43 -11.579 -9.216 -8.014 336 1HB PRO 43 1HB PRO 43 -10.037 -8.919 -10.297 337 2HB PRO 43 2HB PRO 43 -10.701 -7.593 -9.316 338 1HG PRO 43 1HG PRO 43 -7.912 -8.731 -9.235 339 2HG PRO 43 2HG PRO 43 -8.418 -7.008 -9.176 340 1HD PRO 43 1HD PRO 43 -7.758 -8.418 -6.929 341 2HD PRO 43 2HD PRO 43 -9.031 -7.176 -6.928 342 H GLY 44 H GLY 44 -12.040 -11.285 -7.524 343 1HA GLY 44 1HA GLY 44 -12.315 -13.402 -8.743 344 2HA GLY 44 2HA GLY 44 -10.576 -13.472 -8.912 345 H GLY 45 H GLY 45 -10.710 -12.368 -5.769 346 1HA GLY 45 1HA GLY 45 -11.697 -13.030 -3.778 347 2HA GLY 45 2HA GLY 45 -12.374 -14.468 -4.558 348 H LYS 46 H LYS 46 -9.103 -13.833 -5.177 349 HA LYS 46 HA LYS 46 -8.080 -16.047 -3.482 350 1HB LYS 46 1HB LYS 46 -7.178 -14.517 -5.908 351 2HB LYS 46 2HB LYS 46 -6.030 -15.565 -5.014 352 1HG LYS 46 1HG LYS 46 -7.497 -17.512 -5.371 353 2HG LYS 46 2HG LYS 46 -8.681 -16.507 -6.189 354 1HD LYS 46 1HD LYS 46 -7.755 -17.382 -8.011 355 2HD LYS 46 2HD LYS 46 -6.627 -16.034 -7.847 356 1HE LYS 46 1HE LYS 46 -5.013 -17.578 -6.754 357 2HE LYS 46 2HE LYS 46 -6.205 -18.891 -6.815 358 1HZ LYS 46 1HZ LYS 46 -5.066 -17.528 -9.191 359 2HZ LYS 46 2HZ LYS 46 -4.591 -18.989 -8.638 360 3HZ LYS 46 3HZ LYS 46 -6.119 -18.783 -9.224 361 H GLU 47 H GLU 47 -5.490 -15.029 -3.180 362 HA GLU 47 HA GLU 47 -5.773 -12.601 -1.536 363 1HB GLU 47 1HB GLU 47 -5.873 -15.103 -0.379 364 2HB GLU 47 2HB GLU 47 -4.123 -14.821 -0.394 365 1HG GLU 47 1HG GLU 47 -4.519 -12.637 0.734 366 2HG GLU 47 2HG GLU 47 -6.257 -12.938 0.677 367 H ALA 48 H ALA 48 -3.730 -11.426 -1.378 368 HA ALA 48 HA ALA 48 -1.354 -12.404 -2.836 369 1HB ALA 48 2HB ALA 48 -2.806 -9.837 -3.579 370 2HB ALA 48 1HB ALA 48 -2.763 -11.312 -4.574 371 3HB ALA 48 3HB ALA 48 -1.265 -10.431 -4.229 372 H THR 49 H THR 49 0.377 -10.547 -2.510 373 HA THR 49 HA THR 49 -0.165 -8.542 -0.515 374 HB THR 49 HB THR 49 1.758 -10.881 0.027 375 HG1 THR 49 HG1 THR 49 -0.551 -10.698 0.733 376 1HG2 THR 49 1HG2 THR 49 1.730 -8.158 1.372 377 2HG2 THR 49 2HG2 THR 49 2.415 -9.599 2.135 378 3HG2 THR 49 3HG2 THR 49 3.100 -8.979 0.629 379 H TRP 50 H TRP 50 1.535 -6.964 -0.463 380 HA TRP 50 HA TRP 50 3.714 -7.244 -2.478 381 1HB TRP 50 1HB TRP 50 1.648 -5.093 -2.042 382 2HB TRP 50 2HB TRP 50 3.314 -4.534 -2.153 383 HD1 TRP 50 HD1 TRP 50 4.184 -4.131 -4.578 384 HE1 TRP 50 HE1 TRP 50 3.540 -4.833 -6.908 385 HE3 TRP 50 HE3 TRP 50 0.264 -7.130 -3.341 386 HZ2 TRP 50 HZ2 TRP 50 1.591 -6.597 -8.090 387 HZ3 TRP 50 HZ3 TRP 50 -0.991 -8.355 -5.093 388 HH2 TRP 50 HH2 TRP 50 -0.433 -8.032 -7.471 389 H VAL 51 H VAL 51 5.724 -6.192 -1.665 390 HA VAL 51 HA VAL 51 5.784 -5.817 1.307 391 HB VAL 51 HB VAL 51 7.965 -7.095 -0.383 392 1HG1 VAL 51 1HG1 VAL 51 8.758 -5.925 1.633 393 2HG1 VAL 51 2HG1 VAL 51 7.621 -6.856 2.634 394 3HG1 VAL 51 3HG1 VAL 51 8.960 -7.670 1.790 395 1HG2 VAL 51 1HG2 VAL 51 5.863 -8.468 1.332 396 2HG2 VAL 51 2HG2 VAL 51 6.272 -8.775 -0.372 397 3HG2 VAL 51 3HG2 VAL 51 7.398 -9.224 0.901 398 H VAL 52 H VAL 52 6.328 -3.695 1.723 399 HA VAL 52 HA VAL 52 7.689 -2.142 -0.438 400 HB VAL 52 HB VAL 52 6.198 -1.181 2.034 401 1HG1 VAL 52 1HG1 VAL 52 7.992 0.356 1.160 402 2HG1 VAL 52 2HG1 VAL 52 7.146 0.429 -0.381 403 3HG1 VAL 52 3HG1 VAL 52 6.360 1.044 1.090 404 1HG2 VAL 52 1HG2 VAL 52 4.607 -2.163 0.373 405 2HG2 VAL 52 2HG2 VAL 52 4.431 -0.409 0.496 406 3HG2 VAL 52 3HG2 VAL 52 5.277 -1.093 -0.878 407 H ASP 53 H ASP 53 9.910 -2.167 -0.176 408 HA ASP 53 HA ASP 53 11.048 -2.068 2.548 409 1HB ASP 53 1HB ASP 53 12.207 -3.211 0.397 410 2HB ASP 53 2HB ASP 53 12.745 -1.586 0.106 411 H VAL 54 H VAL 54 10.873 -0.143 3.475 412 HA VAL 54 HA VAL 54 11.735 2.218 1.975 413 HB VAL 54 HB VAL 54 10.015 3.497 3.529 414 1HG1 VAL 54 1HG1 VAL 54 9.316 2.199 0.897 415 2HG1 VAL 54 2HG1 VAL 54 8.388 3.500 1.682 416 3HG1 VAL 54 3HG1 VAL 54 10.069 3.786 1.201 417 1HG2 VAL 54 1HG2 VAL 54 8.554 0.847 3.209 418 2HG2 VAL 54 2HG2 VAL 54 9.054 1.640 4.701 419 3HG2 VAL 54 3HG2 VAL 54 7.833 2.391 3.666 420 H LYS 55 H LYS 55 13.318 0.478 3.296 421 HA LYS 55 HA LYS 55 14.214 2.103 5.639 422 1HB LYS 55 1HB LYS 55 13.122 -0.212 6.161 423 2HB LYS 55 2HB LYS 55 14.523 -0.915 5.389 424 1HG LYS 55 1HG LYS 55 15.744 0.783 7.186 425 2HG LYS 55 2HG LYS 55 14.209 0.463 8.009 426 1HD LYS 55 1HD LYS 55 14.788 -2.079 7.467 427 2HD LYS 55 2HD LYS 55 16.420 -1.446 7.217 428 1HE LYS 55 1HE LYS 55 16.408 -2.167 9.450 429 2HE LYS 55 2HE LYS 55 16.213 -0.413 9.575 430 1HZ LYS 55 1HZ LYS 55 13.910 -2.291 9.599 431 2HZ LYS 55 2HZ LYS 55 14.662 -1.856 10.951 432 3HZ LYS 55 3HZ LYS 55 13.922 -0.702 10.076 433 H ASN 56 H ASN 56 15.030 -0.316 3.134 434 HA ASN 56 HA ASN 56 17.942 0.250 3.410 435 1HB ASN 56 1HB ASN 56 16.201 -1.950 2.242 436 2HB ASN 56 2HB ASN 56 17.753 -1.667 1.529 437 2HD2 ASN 56 1HD2 ASN 56 16.335 -1.934 4.741 438 1HD2 ASN 56 2HD2 ASN 56 17.489 -3.060 5.414 439 H GLY 57 H GLY 57 19.135 1.008 1.682 440 1HA GLY 57 1HA GLY 57 19.634 2.102 -0.266 441 2HA GLY 57 2HA GLY 57 18.261 1.279 -1.039 442 H LYS 58 H LYS 58 17.063 2.842 -1.943 443 HA LYS 58 HA LYS 58 16.093 5.157 -0.338 444 1HB LYS 58 2HB LYS 58 16.084 6.445 -2.166 445 2HB LYS 58 1HB LYS 58 15.818 5.122 -3.277 446 1HG LYS 58 2HG LYS 58 17.899 6.178 -3.629 447 2HG LYS 58 1HG LYS 58 18.117 4.492 -3.276 448 1HD LYS 58 1HD LYS 58 18.363 6.152 -0.846 449 2HD LYS 58 2HD LYS 58 19.454 4.924 -1.509 450 1HE LYS 58 1HE LYS 58 20.135 6.666 -3.258 451 2HE LYS 58 2HE LYS 58 19.233 7.845 -2.296 452 1HZ LYS 58 1HZ LYS 58 20.704 7.092 -0.394 453 2HZ LYS 58 2HZ LYS 58 21.636 6.342 -1.547 454 3HZ LYS 58 3HZ LYS 58 21.409 7.975 -1.574 455 H GLY 59 H GLY 59 15.307 2.097 -0.838 456 1HA GLY 59 1HA GLY 59 13.347 1.133 -0.324 457 2HA GLY 59 2HA GLY 59 12.459 2.629 -0.651 458 H SER 60 H SER 60 11.779 0.025 -1.575 459 HA SER 60 HA SER 60 10.900 0.651 -4.131 460 1HB SER 60 1HB SER 60 13.154 -1.418 -3.944 461 2HB SER 60 2HB SER 60 11.869 -1.602 -5.135 462 HG SER 60 HG SER 60 13.426 0.750 -4.879 463 H VAL 61 H VAL 61 9.526 -1.309 -4.843 464 HA VAL 61 HA VAL 61 8.462 -2.659 -2.423 465 HB VAL 61 HB VAL 61 6.907 -2.099 -4.962 466 1HG1 VAL 61 1HG1 VAL 61 6.061 -3.801 -3.449 467 2HG1 VAL 61 2HG1 VAL 61 6.081 -2.698 -2.100 468 3HG1 VAL 61 3HG1 VAL 61 4.976 -2.399 -3.472 469 1HG2 VAL 61 1HG2 VAL 61 6.988 -0.326 -2.474 470 2HG2 VAL 61 2HG2 VAL 61 7.578 0.138 -4.068 471 3HG2 VAL 61 3HG2 VAL 61 5.859 -0.159 -3.843 472 H LEU 62 H LEU 62 8.530 -4.858 -2.517 473 HA LEU 62 HA LEU 62 10.230 -5.945 -4.694 474 1HB LEU 62 1HB LEU 62 9.861 -6.498 -1.731 475 2HB LEU 62 2HB LEU 62 10.792 -7.566 -2.783 476 HG LEU 62 HG LEU 62 11.506 -4.631 -2.793 477 1HD1 LEU 62 1HD1 LEU 62 12.296 -6.631 -0.649 478 2HD1 LEU 62 2HD1 LEU 62 13.030 -5.017 -0.886 479 3HD1 LEU 62 3HD1 LEU 62 11.331 -5.166 -0.424 480 1HD2 LEU 62 1HD2 LEU 62 12.533 -6.272 -4.372 481 2HD2 LEU 62 2HD2 LEU 62 13.707 -5.540 -3.304 482 3HD2 LEU 62 3HD2 LEU 62 13.152 -7.202 -2.972 483 HA PRO 63 HA PRO 63 6.079 -7.696 -5.227 484 1HB PRO 63 1HB PRO 63 6.358 -8.865 -7.723 485 2HB PRO 63 2HB PRO 63 5.956 -7.148 -7.400 486 1HG PRO 63 1HG PRO 63 8.605 -8.351 -8.119 487 2HG PRO 63 2HG PRO 63 7.909 -6.764 -8.612 488 1HD PRO 63 1HD PRO 63 9.827 -7.067 -6.649 489 2HD PRO 63 2HD PRO 63 8.626 -5.750 -6.679 490 H ASN 64 H ASN 64 5.223 -9.469 -4.626 491 HA ASN 64 HA ASN 64 4.930 -11.385 -3.597 492 1HB ASN 64 2HB ASN 64 4.908 -13.206 -4.984 493 2HB ASN 64 1HB ASN 64 6.375 -12.784 -5.816 494 2HD2 ASN 64 1HD2 ASN 64 5.394 -13.207 -7.816 495 1HD2 ASN 64 2HD2 ASN 64 4.343 -12.000 -8.561 496 H SER 65 H SER 65 7.074 -10.039 -2.430 497 HA SER 65 HA SER 65 9.479 -11.357 -2.660 498 1HB SER 65 1HB SER 65 8.570 -9.082 -1.319 499 2HB SER 65 2HB SER 65 9.041 -10.145 -0.004 500 HG SER 65 HG SER 65 10.578 -9.345 -2.241 501 H ASP 66 H ASP 66 10.589 -12.585 -1.462 502 HA ASP 66 HA ASP 66 9.404 -14.514 0.495 503 1HB ASP 66 1HB ASP 66 11.059 -15.334 -1.222 504 2HB ASP 66 2HB ASP 66 12.274 -14.253 -0.531 505 H LYS 67 H LYS 67 11.170 -11.447 0.149 506 HA LYS 67 HA LYS 67 12.510 -11.465 2.632 507 1HB LYS 67 1HB LYS 67 12.901 -9.958 0.688 508 2HB LYS 67 2HB LYS 67 11.498 -9.008 1.243 509 1HG LYS 67 1HG LYS 67 12.594 -8.462 3.313 510 2HG LYS 67 2HG LYS 67 13.894 -9.630 3.032 511 1HD LYS 67 1HD LYS 67 13.382 -7.243 1.218 512 2HD LYS 67 2HD LYS 67 14.469 -7.174 2.604 513 1HE LYS 67 1HE LYS 67 16.119 -8.380 1.607 514 2HE LYS 67 2HE LYS 67 14.993 -9.499 0.835 515 1HZ LYS 67 1HZ LYS 67 15.434 -6.764 -0.183 516 2HZ LYS 67 2HZ LYS 67 16.257 -8.116 -0.699 517 3HZ LYS 67 3HZ LYS 67 14.651 -8.050 -0.914 518 H LYS 68 H LYS 68 11.717 -11.503 4.474 519 HA LYS 68 HA LYS 68 8.901 -11.218 5.151 520 1HB LYS 68 1HB LYS 68 9.641 -12.004 7.350 521 2HB LYS 68 2HB LYS 68 10.527 -12.898 6.127 522 1HG LYS 68 1HG LYS 68 12.258 -10.894 6.414 523 2HG LYS 68 2HG LYS 68 11.464 -10.685 7.958 524 1HD LYS 68 1HD LYS 68 12.430 -12.563 8.865 525 2HD LYS 68 2HD LYS 68 12.384 -13.465 7.347 526 1HE LYS 68 1HE LYS 68 14.706 -12.945 7.996 527 2HE LYS 68 2HE LYS 68 14.244 -12.233 6.445 528 1HZ LYS 68 1HZ LYS 68 13.820 -10.133 7.718 529 2HZ LYS 68 2HZ LYS 68 14.613 -10.813 9.008 530 3HZ LYS 68 3HZ LYS 68 15.368 -10.572 7.549 531 H ALA 69 H ALA 69 8.765 -9.952 7.394 532 HA ALA 69 HA ALA 69 9.481 -7.110 6.772 533 1HB ALA 69 1HB ALA 69 7.312 -7.732 5.729 534 2HB ALA 69 2HB ALA 69 6.692 -8.215 7.322 535 3HB ALA 69 3HB ALA 69 7.108 -6.519 7.004 536 H ASP 70 H ASP 70 8.848 -5.577 8.425 537 HA ASP 70 HA ASP 70 9.401 -6.490 11.165 538 1HB ASP 70 1HB ASP 70 9.833 -4.168 9.748 539 2HB ASP 70 2HB ASP 70 8.522 -3.731 10.872 540 H CYS 71 H CYS 71 6.629 -5.435 9.194 541 HA CYS 71 HA CYS 71 4.708 -6.652 10.884 542 1HB CYS 71 1HB CYS 71 5.409 -3.913 11.487 543 2HB CYS 71 2HB CYS 71 3.799 -3.924 10.781 544 H THR 72 H THR 72 2.412 -5.565 9.994 545 HA THR 72 HA THR 72 2.524 -5.528 7.047 546 HB THR 72 HB THR 72 0.905 -7.531 8.706 547 HG1 THR 72 HG1 THR 72 2.946 -8.229 8.829 548 1HG2 THR 72 1HG2 THR 72 1.227 -7.139 5.702 549 2HG2 THR 72 2HG2 THR 72 0.785 -8.706 6.389 550 3HG2 THR 72 3HG2 THR 72 -0.241 -7.299 6.664 551 H ILE 73 H ILE 73 -0.116 -5.355 6.396 552 HA ILE 73 HA ILE 73 -1.640 -4.366 8.642 553 HB ILE 73 HB ILE 73 -0.528 -2.378 7.272 554 1HG1 ILE 73 1HG1 ILE 73 -3.380 -2.544 8.167 555 2HG1 ILE 73 2HG1 ILE 73 -1.968 -2.259 9.186 556 1HG2 ILE 73 1HG2 ILE 73 -1.388 -3.304 5.071 557 2HG2 ILE 73 2HG2 ILE 73 -3.024 -2.858 5.574 558 3HG2 ILE 73 3HG2 ILE 73 -1.778 -1.603 5.368 559 1HD1 ILE 73 1HD1 ILE 73 -1.570 -0.084 8.021 560 2HD1 ILE 73 2HD1 ILE 73 -3.040 -0.338 7.050 561 3HD1 ILE 73 3HD1 ILE 73 -3.154 -0.134 8.803 562 H THR 74 H THR 74 -4.067 -4.541 8.156 563 HA THR 74 HA THR 74 -4.698 -6.452 5.933 564 HB THR 74 HB THR 74 -6.382 -5.661 8.351 565 HG1 THR 74 HG1 THR 74 -5.486 -7.130 9.496 566 1HG2 THR 74 1HG2 THR 74 -6.546 -7.919 6.298 567 2HG2 THR 74 2HG2 THR 74 -7.622 -7.744 7.714 568 3HG2 THR 74 3HG2 THR 74 -7.630 -6.529 6.421 569 H MET 75 H MET 75 -5.507 -5.569 4.174 570 HA MET 75 HA MET 75 -7.720 -3.776 4.460 571 1HB MET 75 1HB MET 75 -5.183 -2.864 3.078 572 2HB MET 75 2HB MET 75 -6.767 -2.428 2.426 573 1HG MET 75 1HG MET 75 -7.273 -1.554 4.794 574 2HG MET 75 2HG MET 75 -5.530 -1.634 5.068 575 1HE MET 75 1HE MET 75 -7.927 0.775 4.900 576 2HE MET 75 2HE MET 75 -6.341 1.144 5.626 577 3HE MET 75 3HE MET 75 -6.987 2.154 4.306 578 H ALA 76 H ALA 76 -9.090 -4.912 3.310 579 HA ALA 76 HA ALA 76 -8.541 -6.812 1.249 580 1HB ALA 76 3HB ALA 76 -10.809 -6.580 2.177 581 2HB ALA 76 1HB ALA 76 -10.945 -4.945 1.456 582 3HB ALA 76 2HB ALA 76 -10.844 -6.373 0.419 583 H ASP 77 H ASP 77 -8.647 -6.650 -1.040 584 HA ASP 77 HA ASP 77 -7.200 -4.695 -2.453 585 1HB ASP 77 1HB ASP 77 -7.912 -6.998 -3.166 586 2HB ASP 77 2HB ASP 77 -9.531 -6.416 -3.396 587 H SER 78 H SER 78 -10.597 -5.168 -2.116 588 HA SER 78 HA SER 78 -11.548 -2.967 -3.656 589 1HB SER 78 1HB SER 78 -12.733 -5.134 -2.918 590 2HB SER 78 2HB SER 78 -13.040 -4.319 -1.375 591 HG SER 78 HG SER 78 -14.771 -3.903 -2.571 592 H ASP 79 H ASP 79 -10.031 -2.930 -0.653 593 HA ASP 79 HA ASP 79 -11.182 -0.269 0.026 594 1HB ASP 79 1HB ASP 79 -10.888 -2.137 1.846 595 2HB ASP 79 2HB ASP 79 -9.224 -1.534 1.876 596 H PHE 80 H PHE 80 -7.957 -1.845 -0.342 597 HA PHE 80 HA PHE 80 -6.380 0.476 -0.480 598 1HB PHE 80 1HB PHE 80 -6.178 -2.148 -2.008 599 2HB PHE 80 2HB PHE 80 -5.016 -0.867 -2.209 600 HD1 PHE 80 HD1 PHE 80 -3.839 0.041 0.014 601 HD2 PHE 80 HD2 PHE 80 -5.658 -3.828 -0.451 602 HE1 PHE 80 HE1 PHE 80 -2.308 -0.884 1.721 603 HE2 PHE 80 HE2 PHE 80 -4.089 -4.769 1.222 604 HZ PHE 80 HZ PHE 80 -2.398 -3.339 2.312 605 H LEU 81 H LEU 81 -8.019 -1.182 -3.199 606 HA LEU 81 HA LEU 81 -7.410 0.550 -5.305 607 1HB LEU 81 1HB LEU 81 -8.579 -1.717 -5.313 608 2HB LEU 81 2HB LEU 81 -10.036 -0.935 -4.786 609 HG LEU 81 HG LEU 81 -10.031 0.466 -6.863 610 1HD1 LEU 81 1HD1 LEU 81 -7.672 -1.299 -7.636 611 2HD1 LEU 81 2HD1 LEU 81 -8.605 -0.298 -8.773 612 3HD1 LEU 81 3HD1 LEU 81 -7.685 0.478 -7.494 613 1HD2 LEU 81 1HD2 LEU 81 -9.987 -2.554 -7.243 614 2HD2 LEU 81 2HD2 LEU 81 -11.372 -1.574 -6.738 615 3HD2 LEU 81 3HD2 LEU 81 -10.719 -1.390 -8.375 616 H ALA 82 H ALA 82 -10.181 0.552 -3.125 617 HA ALA 82 HA ALA 82 -11.515 2.790 -4.259 618 1HB ALA 82 3HB ALA 82 -12.881 2.919 -2.264 619 2HB ALA 82 1HB ALA 82 -12.703 1.253 -2.842 620 3HB ALA 82 2HB ALA 82 -11.777 1.811 -1.419 621 H LEU 83 H LEU 83 -8.813 2.750 -1.987 622 HA LEU 83 HA LEU 83 -8.873 5.656 -1.583 623 1HB LEU 83 1HB LEU 83 -6.616 3.637 -1.218 624 2HB LEU 83 2HB LEU 83 -6.408 5.357 -1.133 625 HG LEU 83 HG LEU 83 -8.079 5.400 0.785 626 1HD1 LEU 83 1HD1 LEU 83 -7.566 2.394 0.702 627 2HD1 LEU 83 2HD1 LEU 83 -8.269 3.258 2.074 628 3HD1 LEU 83 3HD1 LEU 83 -9.138 3.203 0.544 629 1HD2 LEU 83 1HD2 LEU 83 -5.452 3.889 1.070 630 2HD2 LEU 83 2HD2 LEU 83 -5.680 5.660 1.073 631 3HD2 LEU 83 3HD2 LEU 83 -6.339 4.674 2.391 632 H MET 84 H MET 84 -6.488 3.687 -3.338 633 HA MET 84 HA MET 84 -5.628 6.027 -4.770 634 1HB MET 84 2HB MET 84 -4.117 4.522 -3.779 635 2HB MET 84 1HB MET 84 -3.847 4.499 -5.523 636 1HG MET 84 1HG MET 84 -5.713 2.395 -4.648 637 2HG MET 84 2HG MET 84 -4.335 2.323 -5.699 638 1HE MET 84 1HE MET 84 -2.007 3.351 -4.219 639 2HE MET 84 2HE MET 84 -1.424 2.296 -2.912 640 3HE MET 84 3HE MET 84 -1.645 1.662 -4.553 641 H THR 85 H THR 85 -8.170 5.676 -5.676 642 HA THR 85 HA THR 85 -7.684 5.770 -8.538 643 HB THR 85 HB THR 85 -9.429 3.780 -7.090 644 HG1 THR 85 HG1 THR 85 -7.259 3.426 -8.054 645 1HG2 THR 85 1HG2 THR 85 -9.838 4.756 -9.899 646 2HG2 THR 85 2HG2 THR 85 -10.544 3.274 -9.180 647 3HG2 THR 85 3HG2 THR 85 -10.990 4.864 -8.538 648 H GLY 86 H GLY 86 -9.400 6.713 -5.529 649 1HA GLY 86 1HA GLY 86 -10.178 8.853 -5.185 650 2HA GLY 86 2HA GLY 86 -10.310 9.136 -6.926 651 H LYS 87 H LYS 87 -11.817 7.518 -4.156 652 HA LYS 87 HA LYS 87 -14.427 7.644 -5.534 653 1HB LYS 87 1HB LYS 87 -13.600 5.256 -5.578 654 2HB LYS 87 2HB LYS 87 -13.639 5.246 -3.819 655 1HG LYS 87 1HG LYS 87 -16.105 5.567 -3.909 656 2HG LYS 87 2HG LYS 87 -16.001 5.852 -5.660 657 1HD LYS 87 1HD LYS 87 -14.880 3.466 -5.736 658 2HD LYS 87 2HD LYS 87 -15.648 3.241 -4.161 659 1HE LYS 87 1HE LYS 87 -17.855 3.622 -5.146 660 2HE LYS 87 2HE LYS 87 -17.111 4.174 -6.658 661 1HZ LYS 87 1HZ LYS 87 -16.148 1.886 -6.845 662 2HZ LYS 87 2HZ LYS 87 -17.096 1.411 -5.623 663 3HZ LYS 87 3HZ LYS 87 -17.777 1.965 -7.034 664 H MET 88 H MET 88 -12.970 6.705 -2.413 665 HA MET 88 HA MET 88 -14.185 9.086 -1.118 666 1HB MET 88 1HB MET 88 -14.832 6.213 -0.327 667 2HB MET 88 2HB MET 88 -15.027 7.581 0.770 668 1HG MET 88 1HG MET 88 -16.499 8.696 -0.906 669 2HG MET 88 2HG MET 88 -16.472 7.203 -1.863 670 1HE MET 88 1HE MET 88 -19.016 8.825 -0.581 671 2HE MET 88 2HE MET 88 -19.161 7.436 -1.682 672 3HE MET 88 3HE MET 88 -20.029 7.428 -0.131 673 H ASN 89 H ASN 89 -11.480 7.070 -1.414 674 HA ASN 89 HA ASN 89 -9.877 6.305 -0.017 675 1HB ASN 89 1HB ASN 89 -9.845 9.286 0.352 676 2HB ASN 89 2HB ASN 89 -8.764 8.286 1.312 677 2HD2 ASN 89 1HD2 ASN 89 -9.695 8.746 -2.193 678 1HD2 ASN 89 2HD2 ASN 89 -8.138 8.165 -2.744 679 HA PRO 90 HA PRO 90 -12.530 5.836 3.745 680 1HB PRO 90 1HB PRO 90 -13.030 3.146 3.571 681 2HB PRO 90 2HB PRO 90 -13.973 4.360 2.658 682 1HG PRO 90 2HG PRO 90 -13.198 2.930 0.900 683 2HG PRO 90 1HG PRO 90 -11.590 2.743 1.682 684 1HD PRO 90 1HD PRO 90 -11.069 4.452 0.185 685 2HD PRO 90 2HD PRO 90 -12.721 5.129 0.241 686 H GLN 91 H GLN 91 -12.059 3.885 5.485 687 HA GLN 91 HA GLN 91 -9.333 2.886 5.280 688 1HB GLN 91 1HB GLN 91 -9.128 5.100 6.536 689 2HB GLN 91 2HB GLN 91 -10.144 4.415 7.802 690 1HG GLN 91 1HG GLN 91 -8.501 2.553 8.066 691 2HG GLN 91 2HG GLN 91 -7.490 3.268 6.803 692 2HE2 GLN 91 1HE2 GLN 91 -5.701 3.292 8.427 693 1HE2 GLN 91 2HE2 GLN 91 -5.761 4.454 9.732 694 H SER 92 H SER 92 -10.396 0.893 4.948 695 HA SER 92 HA SER 92 -12.499 -0.257 6.344 696 1HB SER 92 1HB SER 92 -11.022 -2.485 6.112 697 2HB SER 92 2HB SER 92 -11.700 -1.698 4.689 698 HG SER 92 HG SER 92 -9.736 -0.706 4.260 699 H ALA 93 H ALA 93 -8.986 -0.446 7.165 700 HA ALA 93 HA ALA 93 -9.039 -1.877 9.369 701 1HB ALA 93 1HB ALA 93 -7.470 0.656 8.583 702 2HB ALA 93 3HB ALA 93 -6.950 -1.030 8.430 703 3HB ALA 93 2HB ALA 93 -7.063 -0.217 10.030 704 H PHE 94 H PHE 94 -10.178 1.468 9.279 705 HA PHE 94 HA PHE 94 -10.346 1.640 12.231 706 1HB PHE 94 1HB PHE 94 -9.474 3.489 10.617 707 2HB PHE 94 2HB PHE 94 -11.154 3.786 10.231 708 HD1 PHE 94 HD1 PHE 94 -12.665 3.844 12.652 709 HD2 PHE 94 HD2 PHE 94 -8.536 4.989 12.093 710 HE1 PHE 94 HE1 PHE 94 -12.773 5.265 14.658 711 HE2 PHE 94 HE2 PHE 94 -8.668 6.409 14.114 712 HZ PHE 94 HZ PHE 94 -10.771 6.523 15.428 713 H PHE 95 H PHE 95 -12.402 2.172 9.330 714 HA PHE 95 HA PHE 95 -14.854 2.277 10.712 715 1HB PHE 95 1HB PHE 95 -14.555 3.270 8.541 716 2HB PHE 95 2HB PHE 95 -14.124 1.730 7.809 717 HD1 PHE 95 HD1 PHE 95 -16.968 3.668 9.304 718 HD2 PHE 95 HD2 PHE 95 -15.791 0.176 7.048 719 HE1 PHE 95 HE1 PHE 95 -19.336 3.262 8.668 720 HE2 PHE 95 HE2 PHE 95 -18.153 -0.218 6.426 721 HZ PHE 95 HZ PHE 95 -19.913 1.324 7.208 722 H GLN 96 H GLN 96 -13.618 -0.490 8.703 723 HA GLN 96 HA GLN 96 -15.826 -2.243 9.497 724 1HB GLN 96 1HB GLN 96 -13.145 -2.624 8.015 725 2HB GLN 96 2HB GLN 96 -14.121 -3.948 8.560 726 1HG GLN 96 1HG GLN 96 -16.077 -2.710 7.268 727 2HG GLN 96 2HG GLN 96 -14.725 -2.009 6.367 728 2HE2 GLN 96 1HE2 GLN 96 -12.887 -3.910 5.971 729 1HE2 GLN 96 2HE2 GLN 96 -13.587 -5.304 5.198 730 H GLY 97 H GLY 97 -12.529 -1.462 10.505 731 1HA GLY 97 1HA GLY 97 -11.410 -1.960 12.442 732 2HA GLY 97 2HA GLY 97 -12.891 -2.646 13.095 733 H LYS 98 H LYS 98 -11.314 -3.684 10.082 734 HA LYS 98 HA LYS 98 -11.435 -6.418 10.633 735 1HB LYS 98 1HB LYS 98 -10.343 -4.604 8.536 736 2HB LYS 98 2HB LYS 98 -9.562 -6.163 8.559 737 1HG LYS 98 1HG LYS 98 -12.582 -6.081 8.729 738 2HG LYS 98 2HG LYS 98 -11.801 -5.714 7.203 739 1HD LYS 98 1HD LYS 98 -10.960 -7.841 6.902 740 2HD LYS 98 2HD LYS 98 -10.754 -8.156 8.609 741 1HE LYS 98 1HE LYS 98 -13.413 -8.215 7.140 742 2HE LYS 98 2HE LYS 98 -12.431 -9.620 7.543 743 1HZ LYS 98 1HZ LYS 98 -12.706 -9.026 9.900 744 2HZ LYS 98 2HZ LYS 98 -13.753 -7.814 9.466 745 3HZ LYS 98 3HZ LYS 98 -14.142 -9.368 9.142 746 H LEU 99 H LEU 99 -9.618 -4.758 12.544 747 HA LEU 99 HA LEU 99 -7.697 -4.676 13.500 748 1HB LEU 99 1HB LEU 99 -8.457 -6.751 14.496 749 2HB LEU 99 2HB LEU 99 -7.609 -7.682 13.249 750 HG LEU 99 HG LEU 99 -5.439 -6.857 14.008 751 1HD1 LEU 99 1HD1 LEU 99 -6.985 -5.108 15.984 752 2HD1 LEU 99 2HD1 LEU 99 -5.231 -5.415 16.050 753 3HD1 LEU 99 3HD1 LEU 99 -5.905 -4.552 14.687 754 1HD2 LEU 99 1HD2 LEU 99 -6.444 -8.773 15.187 755 2HD2 LEU 99 2HD2 LEU 99 -5.399 -7.831 16.257 756 3HD2 LEU 99 3HD2 LEU 99 -7.169 -7.674 16.383 757 H LYS 100 H LYS 100 -6.863 -3.441 12.023 758 HA LYS 100 HA LYS 100 -5.052 -4.335 9.949 759 1HB LYS 100 2HB LYS 100 -6.334 -2.207 10.168 760 2HB LYS 100 1HB LYS 100 -4.750 -1.986 9.603 761 1HG LYS 100 1HG LYS 100 -4.074 -1.281 11.970 762 2HG LYS 100 2HG LYS 100 -5.135 -0.203 11.103 763 1HD LYS 100 1HD LYS 100 -7.104 -1.092 12.380 764 2HD LYS 100 2HD LYS 100 -6.016 -2.154 13.273 765 1HE LYS 100 1HE LYS 100 -6.199 -0.390 14.714 766 2HE LYS 100 2HE LYS 100 -4.676 -0.066 13.885 767 1HZ LYS 100 1HZ LYS 100 -5.838 1.549 12.499 768 2HZ LYS 100 2HZ LYS 100 -7.282 1.214 13.313 769 3HZ LYS 100 3HZ LYS 100 -6.001 1.894 14.074 770 H ILE 101 H ILE 101 -2.823 -4.472 10.239 771 HA ILE 101 HA ILE 101 -1.965 -5.013 13.004 772 HB ILE 101 HB ILE 101 -0.872 -5.582 10.251 773 1HG1 ILE 101 1HG1 ILE 101 -2.562 -7.109 10.800 774 2HG1 ILE 101 2HG1 ILE 101 -1.032 -7.937 10.986 775 1HG2 ILE 101 1HG2 ILE 101 0.597 -6.147 12.825 776 2HG2 ILE 101 2HG2 ILE 101 1.000 -6.796 11.216 777 3HG2 ILE 101 3HG2 ILE 101 1.088 -5.058 11.501 778 1HD1 ILE 101 1HD1 ILE 101 -1.226 -7.560 13.505 779 2HD1 ILE 101 2HD1 ILE 101 -2.874 -6.952 13.207 780 3HD1 ILE 101 3HD1 ILE 101 -2.465 -8.611 12.793 781 H THR 102 H THR 102 0.380 -4.195 13.450 782 HA THR 102 HA THR 102 0.170 -1.263 13.523 783 HB THR 102 HB THR 102 1.870 -1.668 15.390 784 HG1 THR 102 HG1 THR 102 2.682 -3.562 15.333 785 1HG2 THR 102 1HG2 THR 102 -0.805 -3.089 15.691 786 2HG2 THR 102 2HG2 THR 102 0.243 -2.530 17.009 787 3HG2 THR 102 3HG2 THR 102 -0.511 -1.353 15.918 788 H GLY 103 H GLY 103 3.075 -0.926 13.993 789 1HA GLY 103 1HA GLY 103 4.990 -2.208 12.986 790 2HA GLY 103 2HA GLY 103 4.246 -1.867 11.416 791 H ASN 104 H ASN 104 3.334 0.580 11.616 792 HA ASN 104 HA ASN 104 5.186 2.491 12.749 793 1HB ASN 104 1HB ASN 104 5.153 1.974 9.809 794 2HB ASN 104 2HB ASN 104 4.703 3.617 10.255 795 2HD2 ASN 104 1HD2 ASN 104 7.463 1.545 9.838 796 1HD2 ASN 104 2HD2 ASN 104 8.570 2.828 10.302 797 H MET 105 H MET 105 3.598 3.486 13.936 798 HA MET 105 HA MET 105 0.826 3.272 13.149 799 1HB MET 105 1HB MET 105 0.354 4.686 15.057 800 2HB MET 105 2HB MET 105 1.480 3.402 15.492 801 1HG MET 105 1HG MET 105 3.362 5.050 15.348 802 2HG MET 105 2HG MET 105 2.196 6.303 14.927 803 1HE MET 105 1HE MET 105 3.699 4.003 17.611 804 2HE MET 105 2HE MET 105 2.756 4.343 19.075 805 3HE MET 105 3HE MET 105 2.036 3.382 17.766 806 H GLY 106 H GLY 106 -0.577 5.082 12.572 807 1HA GLY 106 1HA GLY 106 -1.065 7.210 11.802 808 2HA GLY 106 2HA GLY 106 0.646 7.636 11.848 809 H LEU 107 H LEU 107 0.592 4.795 10.029 810 HA LEU 107 HA LEU 107 0.254 6.204 7.463 811 1HB LEU 107 1HB LEU 107 0.791 4.183 6.323 812 2HB LEU 107 2HB LEU 107 2.034 4.755 7.398 813 HG LEU 107 HG LEU 107 0.709 2.824 8.959 814 1HD1 LEU 107 1HD1 LEU 107 1.007 1.765 6.099 815 2HD1 LEU 107 2HD1 LEU 107 0.705 0.778 7.546 816 3HD1 LEU 107 3HD1 LEU 107 -0.516 1.916 6.979 817 1HD2 LEU 107 1HD2 LEU 107 3.154 3.257 8.709 818 2HD2 LEU 107 2HD2 LEU 107 2.765 1.529 8.612 819 3HD2 LEU 107 3HD2 LEU 107 3.139 2.455 7.135 820 H ALA 108 H ALA 108 -1.775 6.846 8.431 821 HA ALA 108 HA ALA 108 -4.024 5.090 7.590 822 1HB ALA 108 3HB ALA 108 -4.438 6.292 9.659 823 2HB ALA 108 2HB ALA 108 -5.473 6.913 8.364 824 3HB ALA 108 1HB ALA 108 -4.050 7.850 8.886 825 H MET 109 H MET 109 -3.409 8.625 7.025 826 HA MET 109 HA MET 109 -3.346 8.163 4.104 827 1HB MET 109 1HB MET 109 -5.385 9.652 3.891 828 2HB MET 109 2HB MET 109 -5.650 8.035 4.515 829 1HG MET 109 1HG MET 109 -5.627 9.008 6.870 830 2HG MET 109 2HG MET 109 -5.635 10.603 6.129 831 1HE MET 109 1HE MET 109 -7.729 10.767 7.911 832 2HE MET 109 2HE MET 109 -9.223 9.831 7.740 833 3HE MET 109 3HE MET 109 -7.732 9.026 8.266 834 H LYS 110 H LYS 110 -1.306 9.100 5.767 835 HA LYS 110 HA LYS 110 -1.440 12.005 6.011 836 1HB LYS 110 1HB LYS 110 -0.264 10.301 7.608 837 2HB LYS 110 2HB LYS 110 1.063 10.357 6.423 838 1HG LYS 110 1HG LYS 110 1.145 12.861 6.719 839 2HG LYS 110 2HG LYS 110 -0.177 12.730 7.889 840 1HD LYS 110 1HD LYS 110 1.330 11.250 9.296 841 2HD LYS 110 2HD LYS 110 2.615 11.538 8.131 842 1HE LYS 110 1HE LYS 110 2.941 13.064 9.955 843 2HE LYS 110 2HE LYS 110 2.434 14.001 8.530 844 1HZ LYS 110 1HZ LYS 110 0.667 13.198 10.772 845 2HZ LYS 110 2HZ LYS 110 1.298 14.711 10.517 846 3HZ LYS 110 3HZ LYS 110 0.199 14.088 9.486 847 H LEU 111 H LEU 111 -0.095 9.778 3.666 848 HA LEU 111 HA LEU 111 1.191 12.067 2.261 849 1HB LEU 111 1HB LEU 111 2.562 10.462 1.088 850 2HB LEU 111 2HB LEU 111 2.919 10.551 2.786 851 HG LEU 111 HG LEU 111 2.839 8.295 1.377 852 1HD1 LEU 111 1HD1 LEU 111 3.683 8.482 3.634 853 2HD1 LEU 111 2HD1 LEU 111 2.025 8.432 4.279 854 3HD1 LEU 111 3HD1 LEU 111 2.707 7.027 3.440 855 1HD2 LEU 111 1HD2 LEU 111 0.482 8.275 0.785 856 2HD2 LEU 111 2HD2 LEU 111 0.945 6.889 1.755 857 3HD2 LEU 111 3HD2 LEU 111 0.037 8.195 2.510 858 H GLN 112 H GLN 112 1.032 11.884 -0.152 859 HA GLN 112 HA GLN 112 -1.633 10.816 -0.894 860 1HB GLN 112 1HB GLN 112 -0.716 13.267 -2.309 861 2HB GLN 112 2HB GLN 112 -2.328 12.656 -1.943 862 1HG GLN 112 1HG GLN 112 -1.588 13.217 0.578 863 2HG GLN 112 2HG GLN 112 -0.423 14.266 -0.224 864 2HE2 GLN 112 1HE2 GLN 112 -3.743 13.694 0.621 865 1HE2 GLN 112 2HE2 GLN 112 -4.406 15.229 0.064 866 H ASN 113 H ASN 113 0.837 12.217 -3.019 867 HA ASN 113 HA ASN 113 0.515 10.490 -5.092 868 1HB ASN 113 1HB ASN 113 3.195 11.771 -4.416 869 2HB ASN 113 2HB ASN 113 2.591 11.347 -6.012 870 2HD2 ASN 113 1HD2 ASN 113 3.519 13.999 -4.807 871 1HD2 ASN 113 2HD2 ASN 113 2.202 15.072 -5.230 872 H LEU 114 H LEU 114 1.743 9.256 -2.311 873 HA LEU 114 HA LEU 114 3.660 7.330 -3.372 874 1HB LEU 114 1HB LEU 114 3.372 7.903 -0.878 875 2HB LEU 114 2HB LEU 114 1.830 7.067 -0.934 876 HG LEU 114 HG LEU 114 3.009 4.972 -1.591 877 1HD1 LEU 114 1HD1 LEU 114 5.545 6.639 -1.145 878 2HD1 LEU 114 2HD1 LEU 114 5.503 4.866 -1.300 879 3HD1 LEU 114 3HD1 LEU 114 5.051 5.877 -2.657 880 1HD2 LEU 114 1HD2 LEU 114 2.544 5.374 0.798 881 2HD2 LEU 114 2HD2 LEU 114 4.038 4.479 0.604 882 3HD2 LEU 114 3HD2 LEU 114 4.093 6.207 0.991 883 H GLN 115 H GLN 115 0.143 7.541 -2.668 884 HA GLN 115 HA GLN 115 -0.304 4.937 -3.986 885 1HB GLN 115 1HB GLN 115 -2.258 4.785 -2.609 886 2HB GLN 115 2HB GLN 115 -0.906 5.202 -1.613 887 1HG GLN 115 1HG GLN 115 -2.264 7.651 -2.480 888 2HG GLN 115 2HG GLN 115 -3.468 6.505 -1.924 889 2HE2 GLN 115 1HE2 GLN 115 -3.330 8.775 -0.645 890 1HE2 GLN 115 2HE2 GLN 115 -2.304 8.833 0.782 891 H LEU 116 H LEU 116 0.168 6.646 -5.995 892 HA LEU 116 HA LEU 116 -0.572 7.932 -7.654 893 1HB LEU 116 1HB LEU 116 -3.181 6.448 -7.112 894 2HB LEU 116 2HB LEU 116 -2.953 7.480 -8.501 895 HG LEU 116 HG LEU 116 -0.871 5.430 -7.915 896 1HD1 LEU 116 1HD1 LEU 116 -2.957 4.137 -7.724 897 2HD1 LEU 116 2HD1 LEU 116 -3.453 4.698 -9.337 898 3HD1 LEU 116 3HD1 LEU 116 -2.012 3.665 -9.142 899 1HD2 LEU 116 1HD2 LEU 116 -1.264 7.274 -9.975 900 2HD2 LEU 116 2HD2 LEU 116 -0.084 5.996 -9.867 901 3HD2 LEU 116 3HD2 LEU 116 -1.619 5.688 -10.683 902 H GLN 117 H GLN 117 -2.682 9.434 -8.290 903 HA GLN 117 HA GLN 117 -3.065 11.259 -6.048 904 1HB GLN 117 2HB GLN 117 -2.992 12.961 -7.405 905 2HB GLN 117 1HB GLN 117 -3.569 12.149 -8.836 906 1HG GLN 117 1HG GLN 117 -0.761 11.681 -7.793 907 2HG GLN 117 2HG GLN 117 -1.406 11.364 -9.414 908 2HE2 GLN 117 1HE2 GLN 117 -0.121 13.792 -7.182 909 1HE2 GLN 117 2HE2 GLN 117 -0.260 15.175 -8.274 910 HA PRO 118 HA PRO 118 -7.376 10.075 -6.441 911 1HB PRO 118 1HB PRO 118 -8.574 11.892 -4.788 912 2HB PRO 118 2HB PRO 118 -7.491 10.613 -4.164 913 1HG PRO 118 2HG PRO 118 -6.449 12.602 -3.299 914 2HG PRO 118 1HG PRO 118 -6.768 13.493 -4.823 915 1HD PRO 118 1HD PRO 118 -4.572 12.810 -5.265 916 2HD PRO 118 2HD PRO 118 -4.745 11.307 -4.304 917 H GLY 119 H GLY 119 -9.573 11.233 -6.964 918 1HA GLY 119 1HA GLY 119 -9.220 13.597 -8.685 919 2HA GLY 119 2HA GLY 119 -9.987 12.149 -9.345 920 H ASN 120 H ASN 120 -10.863 15.060 -8.450 921 HA ASN 120 HA ASN 120 -13.548 14.323 -8.046 922 1HB ASN 120 1HB ASN 120 -12.587 14.000 -5.636 923 2HB ASN 120 2HB ASN 120 -12.566 15.750 -5.554 924 2HD2 ASN 120 1HD2 ASN 120 -14.642 12.831 -6.003 925 1HD2 ASN 120 2HD2 ASN 120 -16.123 13.632 -5.604 926 H ALA 121 H ALA 121 -12.971 15.768 -10.046 927 HA ALA 121 HA ALA 121 -13.744 18.541 -9.373 928 1HB ALA 121 1HB ALA 121 -11.262 18.599 -9.389 929 2HB ALA 121 3HB ALA 121 -11.951 19.489 -10.753 930 3HB ALA 121 2HB ALA 121 -11.251 17.878 -11.014 931 H LYS 122 H LYS 122 -15.743 18.389 -10.405 932 HA LYS 122 HA LYS 122 -15.719 18.479 -13.221 933 1HB LYS 122 1HB LYS 122 -15.582 15.876 -12.653 934 2HB LYS 122 2HB LYS 122 -17.270 16.035 -12.301 935 1HG LYS 122 1HG LYS 122 -15.856 16.686 -14.925 936 2HG LYS 122 2HG LYS 122 -16.819 15.269 -14.569 937 1HD LYS 122 1HD LYS 122 -18.315 16.433 -15.788 938 2HD LYS 122 2HD LYS 122 -18.786 16.928 -14.172 939 1HE LYS 122 2HE LYS 122 -17.477 19.066 -14.510 940 2HE LYS 122 1HE LYS 122 -18.835 18.850 -15.620 941 1HZ LYS 122 1HZ LYS 122 -17.207 18.047 -17.282 942 2HZ LYS 122 2HZ LYS 122 -16.957 19.614 -16.835 943 3HZ LYS 122 3HZ LYS 122 -15.985 18.461 -16.240 944 H LEU 123 H LEU 123 -16.576 20.424 -12.320 945 HA LEU 123 HA LEU 123 -17.770 21.789 -11.059 946 1HB LEU 123 1HB LEU 123 -20.183 20.087 -11.804 947 2HB LEU 123 2HB LEU 123 -20.244 21.552 -10.866 948 HG LEU 123 HG LEU 123 -20.910 22.171 -13.006 949 1HD1 LEU 123 1HD1 LEU 123 -19.224 23.698 -11.872 950 2HD1 LEU 123 2HD1 LEU 123 -18.003 23.042 -12.959 951 3HD1 LEU 123 3HD1 LEU 123 -19.401 23.912 -13.626 952 1HD2 LEU 123 1HD2 LEU 123 -20.018 20.215 -14.238 953 2HD2 LEU 123 2HD2 LEU 123 -19.820 21.756 -15.080 954 3HD2 LEU 123 3HD2 LEU 123 -18.419 21.015 -14.274 No H/Q in entry = 954 Start of MODEL 7 1 H SER 1 H SER 1 -4.984 -21.273 -6.230 2 HA SER 1 HA SER 1 -3.825 -23.790 -5.200 3 1HB SER 1 2HB SER 1 -2.050 -23.502 -6.865 4 2HB SER 1 1HB SER 1 -2.782 -21.989 -7.425 5 HG SER 1 HG SER 1 -3.293 -23.716 -8.777 6 H SER 2 H SER 2 -1.549 -23.437 -4.456 7 HA SER 2 HA SER 2 -1.380 -21.284 -2.532 8 1HB SER 2 1HB SER 2 0.918 -22.553 -2.237 9 2HB SER 2 2HB SER 2 -0.599 -23.263 -1.694 10 HG SER 2 HG SER 2 0.483 -23.815 -4.276 11 H ALA 3 H ALA 3 -1.558 -19.723 -4.531 12 HA ALA 3 HA ALA 3 1.130 -18.725 -5.173 13 1HB ALA 3 2HB ALA 3 -1.008 -19.349 -7.273 14 2HB ALA 3 1HB ALA 3 0.541 -20.195 -7.079 15 3HB ALA 3 3HB ALA 3 0.527 -18.503 -7.578 16 H SER 4 H SER 4 0.746 -16.481 -6.380 17 HA SER 4 HA SER 4 -1.396 -15.010 -4.964 18 1HB SER 4 1HB SER 4 0.509 -13.579 -4.109 19 2HB SER 4 2HB SER 4 0.487 -15.219 -3.479 20 HG SER 4 HG SER 4 2.581 -14.842 -4.107 21 H ASP 5 H ASP 5 -0.089 -12.485 -5.668 22 HA ASP 5 HA ASP 5 0.108 -10.921 -7.430 23 1HB ASP 5 1HB ASP 5 2.019 -12.614 -7.755 24 2HB ASP 5 2HB ASP 5 1.112 -13.196 -9.147 25 H GLY 6 H GLY 6 -2.532 -12.355 -7.305 26 1HA GLY 6 1HA GLY 6 -3.392 -12.292 -10.153 27 2HA GLY 6 2HA GLY 6 -4.134 -13.232 -8.853 28 H PHE 7 H PHE 7 -3.331 -9.751 -9.548 29 HA PHE 7 HA PHE 7 -6.078 -8.958 -8.672 30 1HB PHE 7 1HB PHE 7 -3.413 -8.101 -7.427 31 2HB PHE 7 2HB PHE 7 -4.901 -7.186 -7.245 32 HD1 PHE 7 HD1 PHE 7 -3.525 -10.588 -6.599 33 HD2 PHE 7 HD2 PHE 7 -6.266 -7.515 -5.390 34 HE1 PHE 7 HE1 PHE 7 -4.302 -12.018 -4.817 35 HE2 PHE 7 HE2 PHE 7 -6.884 -8.896 -3.421 36 HZ PHE 7 HZ PHE 7 -5.987 -11.140 -3.132 37 H LYS 8 H LYS 8 -6.777 -7.066 -9.565 38 HA LYS 8 HA LYS 8 -5.275 -5.695 -11.572 39 1HB LYS 8 1HB LYS 8 -7.745 -4.822 -10.016 40 2HB LYS 8 2HB LYS 8 -7.033 -3.948 -11.363 41 1HG LYS 8 1HG LYS 8 -7.271 -6.529 -12.407 42 2HG LYS 8 2HG LYS 8 -8.690 -6.387 -11.374 43 1HD LYS 8 2HD LYS 8 -9.375 -4.332 -12.648 44 2HD LYS 8 1HD LYS 8 -9.237 -5.775 -13.635 45 1HE LYS 8 1HE LYS 8 -6.704 -4.820 -13.931 46 2HE LYS 8 2HE LYS 8 -8.044 -4.527 -15.033 47 1HZ LYS 8 1HZ LYS 8 -7.313 -2.629 -12.880 48 2HZ LYS 8 2HZ LYS 8 -6.869 -2.535 -14.459 49 3HZ LYS 8 3HZ LYS 8 -8.463 -2.454 -14.062 50 H ALA 9 H ALA 9 -5.239 -5.492 -8.096 51 HA ALA 9 HA ALA 9 -4.032 -3.067 -7.581 52 1HB ALA 9 1HB ALA 9 -4.712 -4.909 -5.939 53 2HB ALA 9 3HB ALA 9 -3.189 -4.074 -5.610 54 3HB ALA 9 2HB ALA 9 -3.170 -5.697 -6.325 55 H ASN 10 H ASN 10 -2.709 -5.615 -9.594 56 HA ASN 10 HA ASN 10 -0.010 -5.423 -9.032 57 1HB ASN 10 1HB ASN 10 -1.258 -6.961 -10.723 58 2HB ASN 10 2HB ASN 10 -0.995 -5.667 -11.889 59 2HD2 ASN 10 1HD2 ASN 10 0.392 -8.298 -10.095 60 1HD2 ASN 10 2HD2 ASN 10 1.972 -8.238 -10.589 61 H LEU 11 H LEU 11 -1.954 -3.060 -10.956 62 HA LEU 11 HA LEU 11 0.451 -1.494 -11.509 63 1HB LEU 11 1HB LEU 11 -0.602 -0.690 -13.105 64 2HB LEU 11 2HB LEU 11 -1.807 -1.909 -12.919 65 HG LEU 11 HG LEU 11 -2.765 0.098 -13.430 66 1HD1 LEU 11 1HD1 LEU 11 -4.005 -1.241 -11.788 67 2HD1 LEU 11 2HD1 LEU 11 -3.461 -0.107 -10.518 68 3HD1 LEU 11 3HD1 LEU 11 -4.444 0.477 -11.856 69 1HD2 LEU 11 1HD2 LEU 11 -0.797 1.492 -12.491 70 2HD2 LEU 11 2HD2 LEU 11 -2.414 2.221 -12.512 71 3HD2 LEU 11 3HD2 LEU 11 -1.742 1.589 -11.003 72 H VAL 12 H VAL 12 -2.080 -1.591 -9.107 73 HA VAL 12 HA VAL 12 -1.829 1.072 -8.123 74 HB VAL 12 HB VAL 12 -2.716 -1.519 -6.771 75 1HG1 VAL 12 1HG1 VAL 12 -2.781 1.295 -5.706 76 2HG1 VAL 12 2HG1 VAL 12 -3.734 -0.051 -5.027 77 3HG1 VAL 12 3HG1 VAL 12 -1.977 -0.112 -4.971 78 1HG2 VAL 12 1HG2 VAL 12 -4.228 0.900 -7.824 79 2HG2 VAL 12 2HG2 VAL 12 -4.234 -0.745 -8.526 80 3HG2 VAL 12 3HG2 VAL 12 -4.951 -0.462 -6.936 81 H PHE 13 H PHE 13 -0.366 -1.982 -6.775 82 HA PHE 13 HA PHE 13 1.254 -0.427 -5.005 83 1HB PHE 13 1HB PHE 13 1.691 -3.266 -5.932 84 2HB PHE 13 2HB PHE 13 2.434 -2.524 -4.533 85 HD1 PHE 13 HD1 PHE 13 0.435 -1.264 -2.938 86 HD2 PHE 13 HD2 PHE 13 0.021 -4.786 -5.394 87 HE1 PHE 13 HE1 PHE 13 -1.522 -2.028 -1.563 88 HE2 PHE 13 HE2 PHE 13 -1.702 -5.640 -3.868 89 HZ PHE 13 HZ PHE 13 -2.570 -4.137 -2.018 90 H LYS 14 H LYS 14 1.732 -1.390 -8.337 91 HA LYS 14 HA LYS 14 4.594 -0.915 -8.306 92 1HB LYS 14 1HB LYS 14 3.150 -2.228 -9.946 93 2HB LYS 14 2HB LYS 14 2.802 -0.728 -10.750 94 1HG LYS 14 1HG LYS 14 5.053 -0.371 -11.433 95 2HG LYS 14 2HG LYS 14 5.734 -1.360 -10.173 96 1HD LYS 14 1HD LYS 14 3.991 -2.528 -12.397 97 2HD LYS 14 2HD LYS 14 5.762 -2.435 -12.506 98 1HE LYS 14 1HE LYS 14 6.118 -4.033 -10.870 99 2HE LYS 14 2HE LYS 14 4.621 -3.672 -10.020 100 1HZ LYS 14 1HZ LYS 14 3.384 -4.862 -11.720 101 2HZ LYS 14 2HZ LYS 14 4.775 -5.237 -12.538 102 3HZ LYS 14 3HZ LYS 14 4.515 -5.802 -11.035 103 H GLU 15 H GLU 15 1.717 1.077 -9.077 104 HA GLU 15 HA GLU 15 3.201 3.402 -9.829 105 1HB GLU 15 1HB GLU 15 0.455 2.850 -8.819 106 2HB GLU 15 2HB GLU 15 1.015 4.495 -8.547 107 1HG GLU 15 1HG GLU 15 1.133 3.130 -11.250 108 2HG GLU 15 2HG GLU 15 -0.247 4.060 -10.666 109 H ILE 16 H ILE 16 2.570 2.110 -6.561 110 HA ILE 16 HA ILE 16 3.632 4.368 -5.188 111 HB ILE 16 HB ILE 16 3.707 1.436 -4.354 112 1HG1 ILE 16 1HG1 ILE 16 1.356 3.312 -3.854 113 2HG1 ILE 16 2HG1 ILE 16 1.379 2.032 -5.017 114 1HG2 ILE 16 1HG2 ILE 16 4.025 4.076 -2.991 115 2HG2 ILE 16 2HG2 ILE 16 3.494 2.666 -2.086 116 3HG2 ILE 16 3HG2 ILE 16 5.054 2.634 -2.949 117 1HD1 ILE 16 1HD1 ILE 16 1.953 0.438 -3.081 118 2HD1 ILE 16 2HD1 ILE 16 1.353 1.757 -2.040 119 3HD1 ILE 16 3HD1 ILE 16 0.304 1.032 -3.273 120 H GLU 17 H GLU 17 4.966 1.218 -6.267 121 HA GLU 17 HA GLU 17 7.648 1.656 -5.642 122 1HB GLU 17 1HB GLU 17 6.537 -0.515 -6.447 123 2HB GLU 17 2HB GLU 17 6.776 0.065 -8.061 124 1HG GLU 17 1HG GLU 17 9.202 0.251 -7.770 125 2HG GLU 17 2HG GLU 17 9.062 -0.156 -6.057 126 H LYS 18 H LYS 18 6.012 2.519 -8.732 127 HA LYS 18 HA LYS 18 8.352 3.101 -10.088 128 1HB LYS 18 1HB LYS 18 5.634 4.446 -10.483 129 2HB LYS 18 2HB LYS 18 7.040 4.695 -11.512 130 1HG LYS 18 1HG LYS 18 6.962 2.024 -11.709 131 2HG LYS 18 2HG LYS 18 5.260 2.296 -11.323 132 1HD LYS 18 1HD LYS 18 6.814 3.425 -13.673 133 2HD LYS 18 2HD LYS 18 5.490 2.241 -13.707 134 1HE LYS 18 1HE LYS 18 4.046 4.097 -12.626 135 2HE LYS 18 2HE LYS 18 5.363 5.206 -13.000 136 1HZ LYS 18 1HZ LYS 18 5.068 4.519 -15.357 137 2HZ LYS 18 2HZ LYS 18 3.682 3.709 -14.911 138 3HZ LYS 18 3HZ LYS 18 3.807 5.324 -14.709 139 H LYS 19 H LYS 19 6.240 5.212 -8.077 140 HA LYS 19 HA LYS 19 7.895 7.536 -8.373 141 1HB LYS 19 1HB LYS 19 5.382 7.302 -7.575 142 2HB LYS 19 2HB LYS 19 6.083 6.964 -6.004 143 1HG LYS 19 1HG LYS 19 5.677 9.213 -5.865 144 2HG LYS 19 2HG LYS 19 7.369 9.252 -6.346 145 1HD LYS 19 1HD LYS 19 4.898 9.665 -8.107 146 2HD LYS 19 2HD LYS 19 5.958 10.931 -7.475 147 1HE LYS 19 1HE LYS 19 7.878 9.920 -8.737 148 2HE LYS 19 2HE LYS 19 6.750 8.727 -9.413 149 1HZ LYS 19 1HZ LYS 19 5.523 10.674 -10.356 150 2HZ LYS 19 2HZ LYS 19 6.861 11.597 -9.967 151 3HZ LYS 19 3HZ LYS 19 7.017 10.312 -10.966 152 H LEU 20 H LEU 20 7.950 4.809 -5.995 153 HA LEU 20 HA LEU 20 9.913 5.890 -4.316 154 1HB LEU 20 1HB LEU 20 8.559 3.368 -4.753 155 2HB LEU 20 2HB LEU 20 10.238 3.084 -4.456 156 HG LEU 20 HG LEU 20 9.146 5.147 -2.611 157 1HD1 LEU 20 1HD1 LEU 20 7.819 2.452 -2.617 158 2HD1 LEU 20 2HD1 LEU 20 7.674 3.715 -1.355 159 3HD1 LEU 20 3HD1 LEU 20 7.082 4.035 -3.003 160 1HD2 LEU 20 1HD2 LEU 20 11.263 3.738 -2.391 161 2HD2 LEU 20 2HD2 LEU 20 10.265 3.985 -0.961 162 3HD2 LEU 20 3HD2 LEU 20 10.175 2.432 -1.830 163 H GLU 21 H GLU 21 10.228 3.991 -7.316 164 HA GLU 21 HA GLU 21 13.034 4.086 -7.445 165 1HB GLU 21 1HB GLU 21 11.037 4.004 -9.711 166 2HB GLU 21 2HB GLU 21 12.744 3.634 -9.845 167 1HG GLU 21 1HG GLU 21 11.064 2.085 -7.833 168 2HG GLU 21 2HG GLU 21 10.919 1.720 -9.534 169 H GLU 22 H GLU 22 10.671 6.542 -8.806 170 HA GLU 22 HA GLU 22 12.745 8.161 -9.898 171 1HB GLU 22 2HB GLU 22 11.055 9.925 -10.096 172 2HB GLU 22 1HB GLU 22 9.938 9.011 -9.051 173 1HG GLU 22 1HG GLU 22 11.145 7.812 -11.561 174 2HG GLU 22 2HG GLU 22 9.782 7.254 -10.646 175 H GLU 23 H GLU 23 11.131 8.347 -6.692 176 HA GLU 23 HA GLU 23 13.550 9.222 -5.546 177 1HB GLU 23 1HB GLU 23 12.519 11.391 -6.714 178 2HB GLU 23 2HB GLU 23 11.482 11.428 -5.282 179 1HG GLU 23 1HG GLU 23 13.572 11.049 -3.920 180 2HG GLU 23 2HG GLU 23 14.511 11.181 -5.411 181 H GLY 24 H GLY 24 12.513 7.097 -4.692 182 1HA GLY 24 1HA GLY 24 10.594 7.194 -2.575 183 2HA GLY 24 2HA GLY 24 11.806 5.955 -2.894 184 H GLU 25 H GLU 25 14.009 8.064 -2.691 185 HA GLU 25 HA GLU 25 14.927 7.250 -0.255 186 1HB GLU 25 2HB GLU 25 16.310 8.131 -2.013 187 2HB GLU 25 1HB GLU 25 16.731 8.794 -0.449 188 1HG GLU 25 2HG GLU 25 14.903 10.341 -2.309 189 2HG GLU 25 1HG GLU 25 16.624 10.274 -2.648 190 H GLN 26 H GLN 26 13.026 10.264 -0.851 191 HA GLN 26 HA GLN 26 13.306 11.263 1.807 192 1HB GLN 26 1HB GLN 26 12.567 12.444 -0.373 193 2HB GLN 26 2HB GLN 26 10.956 11.786 -0.055 194 1HG GLN 26 1HG GLN 26 10.989 12.854 2.192 195 2HG GLN 26 2HG GLN 26 12.619 13.465 1.863 196 2HE2 GLN 26 1HE2 GLN 26 12.426 14.458 -0.729 197 1HE2 GLN 26 2HE2 GLN 26 11.232 15.711 -0.820 198 H PHE 27 H PHE 27 11.034 8.943 0.290 199 HA PHE 27 HA PHE 27 9.125 9.066 2.476 200 1HB PHE 27 1HB PHE 27 9.347 7.843 -0.229 201 2HB PHE 27 2HB PHE 27 8.598 6.807 0.951 202 HD1 PHE 27 HD1 PHE 27 6.635 7.716 2.385 203 HD2 PHE 27 HD2 PHE 27 8.123 9.667 -1.165 204 HE1 PHE 27 HE1 PHE 27 4.508 8.974 2.169 205 HE2 PHE 27 HE2 PHE 27 5.989 10.907 -1.370 206 HZ PHE 27 HZ PHE 27 4.143 10.482 0.259 207 H VAL 28 H VAL 28 12.009 7.191 1.625 208 HA VAL 28 HA VAL 28 11.753 5.075 3.500 209 HB VAL 28 HB VAL 28 14.130 6.616 2.416 210 1HG1 VAL 28 1HG1 VAL 28 14.830 5.713 4.592 211 2HG1 VAL 28 2HG1 VAL 28 14.239 4.131 4.081 212 3HG1 VAL 28 3HG1 VAL 28 15.613 4.870 3.246 213 1HG2 VAL 28 1HG2 VAL 28 12.796 5.146 0.840 214 2HG2 VAL 28 2HG2 VAL 28 14.478 4.677 1.061 215 3HG2 VAL 28 3HG2 VAL 28 13.211 3.768 1.875 216 H LYS 29 H LYS 29 13.046 8.461 4.021 217 HA LYS 29 HA LYS 29 13.497 8.062 6.815 218 1HB LYS 29 1HB LYS 29 12.804 10.644 5.320 219 2HB LYS 29 2HB LYS 29 13.230 10.550 7.022 220 1HG LYS 29 1HG LYS 29 15.187 11.213 5.997 221 2HG LYS 29 2HG LYS 29 15.450 9.526 6.368 222 1HD LYS 29 1HD LYS 29 15.082 8.898 4.051 223 2HD LYS 29 2HD LYS 29 14.606 10.557 3.618 224 1HE LYS 29 1HE LYS 29 17.352 9.785 4.689 225 2HE LYS 29 2HE LYS 29 16.950 9.769 2.970 226 1HZ LYS 29 1HZ LYS 29 16.770 12.188 4.671 227 2HZ LYS 29 2HZ LYS 29 18.021 11.826 3.678 228 3HZ LYS 29 3HZ LYS 29 16.561 12.105 3.034 229 H LYS 30 H LYS 30 10.522 8.861 5.061 230 HA LYS 30 HA LYS 30 9.039 9.804 7.297 231 1HB LYS 30 1HB LYS 30 8.080 8.583 4.675 232 2HB LYS 30 2HB LYS 30 7.027 9.334 5.860 233 1HG LYS 30 1HG LYS 30 9.340 11.039 5.036 234 2HG LYS 30 2HG LYS 30 8.229 10.643 3.728 235 1HD LYS 30 1HD LYS 30 6.374 11.628 4.802 236 2HD LYS 30 2HD LYS 30 7.173 11.658 6.367 237 1HE LYS 30 1HE LYS 30 7.546 13.825 5.926 238 2HE LYS 30 2HE LYS 30 8.926 13.209 5.018 239 1HZ LYS 30 1HZ LYS 30 7.455 13.273 3.036 240 2HZ LYS 30 2HZ LYS 30 6.287 14.019 3.963 241 3HZ LYS 30 3HZ LYS 30 7.726 14.754 3.697 242 H ILE 31 H ILE 31 8.791 6.543 5.702 243 HA ILE 31 HA ILE 31 7.249 5.542 7.970 244 HB ILE 31 HB ILE 31 8.234 4.341 5.355 245 1HG1 ILE 31 1HG1 ILE 31 5.511 5.168 6.497 246 2HG1 ILE 31 2HG1 ILE 31 6.386 5.962 5.202 247 1HG2 ILE 31 1HG2 ILE 31 6.675 3.038 7.622 248 2HG2 ILE 31 2HG2 ILE 31 6.882 2.346 5.996 249 3HG2 ILE 31 3HG2 ILE 31 8.287 2.577 7.022 250 1HD1 ILE 31 1HD1 ILE 31 6.106 3.817 3.829 251 2HD1 ILE 31 2HD1 ILE 31 4.977 3.291 5.086 252 3HD1 ILE 31 3HD1 ILE 31 4.649 4.763 4.156 253 H GLY 32 H GLY 32 10.458 4.530 6.439 254 1HA GLY 32 1HA GLY 32 12.291 3.637 7.323 255 2HA GLY 32 2HA GLY 32 11.860 4.361 8.868 256 H GLY 33 H GLY 33 10.751 1.666 6.706 257 1HA GLY 33 1HA GLY 33 11.355 -0.318 8.660 258 2HA GLY 33 2HA GLY 33 9.600 -0.044 8.594 259 H ILE 34 H ILE 34 10.034 -2.460 7.882 260 HA ILE 34 HA ILE 34 9.540 -2.328 4.973 261 HB ILE 34 HB ILE 34 10.592 -4.814 6.406 262 1HG1 ILE 34 2HG1 ILE 34 11.826 -3.150 4.155 263 2HG1 ILE 34 1HG1 ILE 34 12.300 -4.790 4.484 264 1HG2 ILE 34 1HG2 ILE 34 8.785 -5.287 4.717 265 2HG2 ILE 34 2HG2 ILE 34 9.711 -4.396 3.510 266 3HG2 ILE 34 3HG2 ILE 34 10.350 -5.904 4.196 267 1HD1 ILE 34 1HD1 ILE 34 12.917 -4.051 6.850 268 2HD1 ILE 34 2HD1 ILE 34 13.928 -3.451 5.519 269 3HD1 ILE 34 3HD1 ILE 34 12.731 -2.379 6.252 270 H PHE 35 H PHE 35 7.381 -2.940 4.514 271 HA PHE 35 HA PHE 35 5.979 -4.481 6.574 272 1HB PHE 35 2HB PHE 35 5.528 -2.206 7.173 273 2HB PHE 35 1HB PHE 35 4.075 -3.106 6.762 274 HD1 PHE 35 HD1 PHE 35 6.567 -0.670 5.205 275 HD2 PHE 35 HD2 PHE 35 2.480 -2.011 5.483 276 HE1 PHE 35 HE1 PHE 35 5.839 1.173 3.730 277 HE2 PHE 35 HE2 PHE 35 1.772 -0.179 3.997 278 HZ PHE 35 HZ PHE 35 3.464 1.437 3.102 279 H ALA 36 H ALA 36 3.886 -5.395 5.636 280 HA ALA 36 HA ALA 36 4.038 -5.545 2.657 281 1HB ALA 36 2HB ALA 36 3.607 -7.879 4.579 282 2HB ALA 36 3HB ALA 36 3.759 -7.937 2.808 283 3HB ALA 36 1HB ALA 36 5.149 -7.480 3.759 284 H PHE 37 H PHE 37 2.192 -5.653 1.516 285 HA PHE 37 HA PHE 37 -0.268 -4.831 2.886 286 1HB PHE 37 1HB PHE 37 0.352 -5.272 -0.064 287 2HB PHE 37 2HB PHE 37 -1.158 -4.681 0.549 288 HD1 PHE 37 HD1 PHE 37 -0.873 -2.548 2.259 289 HD2 PHE 37 HD2 PHE 37 1.805 -3.674 -0.922 290 HE1 PHE 37 HE1 PHE 37 -0.093 -0.213 2.103 291 HE2 PHE 37 HE2 PHE 37 2.553 -1.364 -1.112 292 HZ PHE 37 HZ PHE 37 1.613 0.411 0.390 293 H LYS 38 H LYS 38 -1.381 -6.561 3.895 294 HA LYS 38 HA LYS 38 -1.739 -9.054 2.391 295 1HB LYS 38 1HB LYS 38 -2.489 -7.985 5.089 296 2HB LYS 38 2HB LYS 38 -3.721 -9.017 4.424 297 1HG LYS 38 1HG LYS 38 -0.874 -9.964 4.295 298 2HG LYS 38 2HG LYS 38 -1.632 -9.904 5.873 299 1HD LYS 38 1HD LYS 38 -3.007 -11.656 5.521 300 2HD LYS 38 2HD LYS 38 -3.321 -11.239 3.830 301 1HE LYS 38 1HE LYS 38 -1.171 -12.134 3.129 302 2HE LYS 38 2HE LYS 38 -0.690 -12.423 4.802 303 1HZ LYS 38 1HZ LYS 38 -2.436 -14.079 4.962 304 2HZ LYS 38 2HZ LYS 38 -2.833 -13.863 3.358 305 3HZ LYS 38 3HZ LYS 38 -1.348 -14.398 3.736 306 H VAL 39 H VAL 39 -2.629 -8.610 0.505 307 HA VAL 39 HA VAL 39 -5.279 -7.313 0.492 308 HB VAL 39 HB VAL 39 -3.984 -8.504 -1.995 309 1HG1 VAL 39 1HG1 VAL 39 -6.326 -7.507 -1.874 310 2HG1 VAL 39 2HG1 VAL 39 -5.567 -5.956 -1.558 311 3HG1 VAL 39 3HG1 VAL 39 -5.248 -6.765 -3.086 312 1HG2 VAL 39 1HG2 VAL 39 -3.129 -5.892 -0.730 313 2HG2 VAL 39 2HG2 VAL 39 -2.103 -7.257 -1.226 314 3HG2 VAL 39 3HG2 VAL 39 -2.965 -6.321 -2.446 315 H LYS 40 H LYS 40 -6.780 -8.717 1.130 316 HA LYS 40 HA LYS 40 -6.911 -11.385 -0.132 317 1HB LYS 40 1HB LYS 40 -8.583 -11.801 1.839 318 2HB LYS 40 2HB LYS 40 -6.862 -11.963 2.044 319 1HG LYS 40 1HG LYS 40 -7.675 -10.936 3.993 320 2HG LYS 40 2HG LYS 40 -6.740 -9.726 3.147 321 1HD LYS 40 1HD LYS 40 -8.979 -8.875 2.212 322 2HD LYS 40 2HD LYS 40 -9.763 -10.027 3.298 323 1HE LYS 40 1HE LYS 40 -8.275 -8.954 5.165 324 2HE LYS 40 2HE LYS 40 -8.029 -7.636 4.001 325 1HZ LYS 40 1HZ LYS 40 -10.620 -7.727 3.907 326 2HZ LYS 40 2HZ LYS 40 -10.508 -8.529 5.277 327 3HZ LYS 40 3HZ LYS 40 -9.901 -6.964 5.178 328 H ASP 41 H ASP 41 -9.357 -11.935 -0.141 329 HA ASP 41 HA ASP 41 -11.216 -11.674 -1.448 330 1HB ASP 41 1HB ASP 41 -11.566 -10.294 0.777 331 2HB ASP 41 2HB ASP 41 -11.519 -8.895 -0.277 332 H GLY 42 H GLY 42 -8.978 -11.280 -2.868 333 1HA GLY 42 1HA GLY 42 -9.064 -8.887 -4.534 334 2HA GLY 42 2HA GLY 42 -8.226 -10.424 -4.904 335 HA PRO 43 HA PRO 43 -12.273 -9.510 -7.223 336 1HB PRO 43 1HB PRO 43 -11.247 -9.625 -9.841 337 2HB PRO 43 2HB PRO 43 -11.549 -8.171 -8.857 338 1HG PRO 43 1HG PRO 43 -8.950 -9.655 -9.247 339 2HG PRO 43 2HG PRO 43 -9.221 -7.889 -9.199 340 1HD PRO 43 1HD PRO 43 -8.262 -9.238 -7.056 341 2HD PRO 43 2HD PRO 43 -9.448 -7.917 -6.842 342 H GLY 44 H GLY 44 -13.015 -11.528 -6.436 343 1HA GLY 44 1HA GLY 44 -14.182 -13.447 -7.286 344 2HA GLY 44 2HA GLY 44 -12.850 -13.790 -8.376 345 H GLY 45 H GLY 45 -11.435 -12.940 -5.318 346 1HA GLY 45 1HA GLY 45 -11.562 -14.043 -3.283 347 2HA GLY 45 2HA GLY 45 -12.022 -15.548 -4.066 348 H LYS 46 H LYS 46 -9.391 -13.249 -4.788 349 HA LYS 46 HA LYS 46 -7.365 -15.431 -4.706 350 1HB LYS 46 1HB LYS 46 -7.328 -12.496 -5.393 351 2HB LYS 46 2HB LYS 46 -5.927 -13.545 -5.584 352 1HG LYS 46 1HG LYS 46 -6.501 -13.888 -7.676 353 2HG LYS 46 2HG LYS 46 -7.869 -14.851 -7.129 354 1HD LYS 46 1HD LYS 46 -9.372 -12.994 -7.337 355 2HD LYS 46 2HD LYS 46 -8.057 -11.825 -7.328 356 1HE LYS 46 1HE LYS 46 -8.638 -11.742 -9.511 357 2HE LYS 46 2HE LYS 46 -7.253 -12.845 -9.550 358 1HZ LYS 46 1HZ LYS 46 -10.093 -13.633 -9.532 359 2HZ LYS 46 2HZ LYS 46 -9.235 -13.443 -10.882 360 3HZ LYS 46 3HZ LYS 46 -8.773 -14.650 -9.843 361 H GLU 47 H GLU 47 -5.230 -14.440 -3.841 362 HA GLU 47 HA GLU 47 -5.341 -12.508 -1.713 363 1HB GLU 47 1HB GLU 47 -5.184 -15.308 -0.929 364 2HB GLU 47 2HB GLU 47 -3.629 -14.520 -0.609 365 1HG GLU 47 1HG GLU 47 -4.899 -12.626 0.484 366 2HG GLU 47 2HG GLU 47 -6.371 -13.570 0.286 367 H ALA 48 H ALA 48 -3.315 -11.354 -1.686 368 HA ALA 48 HA ALA 48 -0.935 -12.474 -2.971 369 1HB ALA 48 1HB ALA 48 -2.232 -9.941 -4.021 370 2HB ALA 48 3HB ALA 48 -2.001 -11.475 -4.914 371 3HB ALA 48 2HB ALA 48 -0.601 -10.526 -4.412 372 H THR 49 H THR 49 0.907 -10.820 -2.502 373 HA THR 49 HA THR 49 0.223 -8.765 -0.579 374 HB THR 49 HB THR 49 2.314 -10.977 -0.076 375 HG1 THR 49 HG1 THR 49 0.480 -11.903 0.524 376 1HG2 THR 49 1HG2 THR 49 3.039 -8.809 0.845 377 2HG2 THR 49 2HG2 THR 49 1.513 -8.678 1.758 378 3HG2 THR 49 3HG2 THR 49 2.679 -9.966 2.114 379 H TRP 50 H TRP 50 1.815 -7.096 -0.684 380 HA TRP 50 HA TRP 50 4.118 -7.451 -2.569 381 1HB TRP 50 1HB TRP 50 1.965 -5.346 -2.392 382 2HB TRP 50 2HB TRP 50 3.614 -4.754 -2.471 383 HD1 TRP 50 HD1 TRP 50 4.681 -4.575 -4.876 384 HE1 TRP 50 HE1 TRP 50 3.855 -5.031 -7.156 385 HE3 TRP 50 HE3 TRP 50 0.615 -7.372 -3.582 386 HZ2 TRP 50 HZ2 TRP 50 1.669 -6.620 -8.377 387 HZ3 TRP 50 HZ3 TRP 50 -0.887 -8.312 -5.335 388 HH2 TRP 50 HH2 TRP 50 -0.376 -7.975 -7.722 389 H VAL 51 H VAL 51 6.052 -6.881 -1.454 390 HA VAL 51 HA VAL 51 5.783 -6.079 1.387 391 HB VAL 51 HB VAL 51 8.168 -6.980 -0.254 392 1HG1 VAL 51 1HG1 VAL 51 7.845 -6.613 2.737 393 2HG1 VAL 51 2HG1 VAL 51 9.231 -7.421 1.968 394 3HG1 VAL 51 3HG1 VAL 51 8.925 -5.710 1.651 395 1HG2 VAL 51 1HG2 VAL 51 6.469 -8.639 1.637 396 2HG2 VAL 51 2HG2 VAL 51 6.659 -8.881 -0.117 397 3HG2 VAL 51 3HG2 VAL 51 8.023 -9.147 0.953 398 H VAL 52 H VAL 52 6.830 -4.013 2.052 399 HA VAL 52 HA VAL 52 7.508 -2.187 -0.188 400 HB VAL 52 HB VAL 52 6.119 -1.460 2.413 401 1HG1 VAL 52 1HG1 VAL 52 6.534 0.065 -0.208 402 2HG1 VAL 52 2HG1 VAL 52 5.640 0.655 1.205 403 3HG1 VAL 52 3HG1 VAL 52 7.375 0.362 1.317 404 1HG2 VAL 52 1HG2 VAL 52 4.841 -1.956 -0.289 405 2HG2 VAL 52 2HG2 VAL 52 4.550 -2.853 1.196 406 3HG2 VAL 52 3HG2 VAL 52 4.064 -1.153 1.094 407 H ASP 53 H ASP 53 9.645 -1.944 -0.071 408 HA ASP 53 HA ASP 53 11.147 -2.221 2.433 409 1HB ASP 53 1HB ASP 53 11.708 -3.265 0.073 410 2HB ASP 53 2HB ASP 53 12.202 -1.675 -0.372 411 H VAL 54 H VAL 54 10.934 -0.230 3.594 412 HA VAL 54 HA VAL 54 11.682 2.207 2.107 413 HB VAL 54 HB VAL 54 9.840 3.417 3.444 414 1HG1 VAL 54 1HG1 VAL 54 9.164 1.714 1.042 415 2HG1 VAL 54 2HG1 VAL 54 8.165 3.037 1.639 416 3HG1 VAL 54 3HG1 VAL 54 9.821 3.358 1.072 417 1HG2 VAL 54 1HG2 VAL 54 9.075 1.541 4.854 418 2HG2 VAL 54 2HG2 VAL 54 7.785 2.198 3.848 419 3HG2 VAL 54 3HG2 VAL 54 8.544 0.656 3.412 420 H LYS 55 H LYS 55 13.528 1.035 3.349 421 HA LYS 55 HA LYS 55 14.151 2.785 5.628 422 1HB LYS 55 1HB LYS 55 12.918 0.705 6.514 423 2HB LYS 55 2HB LYS 55 14.365 -0.196 6.164 424 1HG LYS 55 1HG LYS 55 14.576 2.381 7.782 425 2HG LYS 55 2HG LYS 55 13.801 0.995 8.506 426 1HD LYS 55 1HD LYS 55 15.994 -0.299 7.718 427 2HD LYS 55 2HD LYS 55 16.701 1.336 7.740 428 1HE LYS 55 1HE LYS 55 16.059 1.618 10.091 429 2HE LYS 55 2HE LYS 55 15.033 0.179 10.010 430 1HZ LYS 55 1HZ LYS 55 17.182 -1.054 9.546 431 2HZ LYS 55 2HZ LYS 55 17.943 0.267 10.242 432 3HZ LYS 55 3HZ LYS 55 16.811 -0.600 11.058 433 H ASN 56 H ASN 56 15.072 0.022 3.601 434 HA ASN 56 HA ASN 56 17.981 0.406 4.091 435 1HB ASN 56 1HB ASN 56 16.128 -1.777 3.009 436 2HB ASN 56 2HB ASN 56 17.824 -1.703 2.531 437 2HD2 ASN 56 1HD2 ASN 56 15.729 -2.673 5.051 438 1HD2 ASN 56 2HD2 ASN 56 16.890 -3.018 6.288 439 H GLY 57 H GLY 57 18.839 1.999 2.575 440 1HA GLY 57 1HA GLY 57 19.402 2.754 0.445 441 2HA GLY 57 2HA GLY 57 18.419 1.485 -0.268 442 H LYS 58 H LYS 58 17.433 2.807 -1.717 443 HA LYS 58 HA LYS 58 16.122 5.308 -0.852 444 1HB LYS 58 2HB LYS 58 15.983 6.008 -2.972 445 2HB LYS 58 1HB LYS 58 15.733 4.430 -3.663 446 1HG LYS 58 1HG LYS 58 17.945 5.846 -4.034 447 2HG LYS 58 2HG LYS 58 18.457 5.079 -2.544 448 1HD LYS 58 1HD LYS 58 17.476 2.901 -4.009 449 2HD LYS 58 2HD LYS 58 18.026 3.963 -5.287 450 1HE LYS 58 1HE LYS 58 20.241 4.122 -3.923 451 2HE LYS 58 2HE LYS 58 19.632 2.714 -3.027 452 1HZ LYS 58 1HZ LYS 58 19.395 1.707 -5.372 453 2HZ LYS 58 2HZ LYS 58 20.312 2.949 -5.887 454 3HZ LYS 58 3HZ LYS 58 20.942 1.903 -4.814 455 H GLY 59 H GLY 59 15.295 2.027 -0.966 456 1HA GLY 59 1HA GLY 59 13.271 1.186 -0.340 457 2HA GLY 59 2HA GLY 59 12.455 2.715 -0.690 458 H SER 60 H SER 60 11.583 0.210 -1.485 459 HA SER 60 HA SER 60 11.050 0.360 -4.211 460 1HB SER 60 2HB SER 60 12.231 -1.600 -5.003 461 2HB SER 60 1HB SER 60 12.457 -2.215 -3.373 462 HG SER 60 HG SER 60 13.747 0.140 -4.207 463 H VAL 61 H VAL 61 9.650 -1.652 -4.748 464 HA VAL 61 HA VAL 61 8.117 -2.501 -2.310 465 HB VAL 61 HB VAL 61 6.923 -1.860 -4.991 466 1HG1 VAL 61 1HG1 VAL 61 5.686 -3.441 -3.498 467 2HG1 VAL 61 2HG1 VAL 61 5.521 -2.149 -2.331 468 3HG1 VAL 61 3HG1 VAL 61 4.785 -1.995 -3.957 469 1HG2 VAL 61 1HG2 VAL 61 6.979 -0.063 -2.533 470 2HG2 VAL 61 2HG2 VAL 61 7.778 0.249 -4.070 471 3HG2 VAL 61 3HG2 VAL 61 6.021 0.222 -4.021 472 H LEU 62 H LEU 62 9.090 -4.469 -2.182 473 HA LEU 62 HA LEU 62 9.953 -5.947 -4.465 474 1HB LEU 62 1HB LEU 62 9.727 -6.762 -1.559 475 2HB LEU 62 2HB LEU 62 10.604 -7.661 -2.774 476 HG LEU 62 HG LEU 62 11.373 -4.766 -2.395 477 1HD1 LEU 62 1HD1 LEU 62 12.076 -6.906 -0.350 478 2HD1 LEU 62 2HD1 LEU 62 12.767 -5.270 -0.440 479 3HD1 LEU 62 3HD1 LEU 62 11.059 -5.481 -0.075 480 1HD2 LEU 62 1HD2 LEU 62 12.456 -6.273 -4.050 481 2HD2 LEU 62 2HD2 LEU 62 13.582 -5.633 -2.871 482 3HD2 LEU 62 3HD2 LEU 62 13.005 -7.324 -2.724 483 HA PRO 63 HA PRO 63 5.687 -7.380 -4.791 484 1HB PRO 63 1HB PRO 63 5.743 -8.516 -7.281 485 2HB PRO 63 2HB PRO 63 5.746 -6.746 -7.008 486 1HG PRO 63 1HG PRO 63 8.081 -8.558 -7.599 487 2HG PRO 63 2HG PRO 63 7.704 -6.947 -8.310 488 1HD PRO 63 1HD PRO 63 9.485 -7.333 -6.246 489 2HD PRO 63 2HD PRO 63 8.550 -5.848 -6.465 490 H ASN 64 H ASN 64 4.644 -9.262 -4.354 491 HA ASN 64 HA ASN 64 4.267 -11.260 -3.521 492 1HB ASN 64 2HB ASN 64 4.340 -12.945 -5.109 493 2HB ASN 64 1HB ASN 64 5.908 -12.440 -5.744 494 2HD2 ASN 64 1HD2 ASN 64 5.567 -12.112 -7.850 495 1HD2 ASN 64 2HD2 ASN 64 4.185 -11.300 -8.567 496 H SER 65 H SER 65 6.870 -10.091 -2.520 497 HA SER 65 HA SER 65 8.847 -11.998 -3.072 498 1HB SER 65 1HB SER 65 9.218 -9.581 -2.823 499 2HB SER 65 2HB SER 65 8.953 -9.710 -1.075 500 HG SER 65 HG SER 65 11.206 -10.042 -2.379 501 H ASP 66 H ASP 66 10.080 -13.229 -1.753 502 HA ASP 66 HA ASP 66 8.870 -14.500 0.633 503 1HB ASP 66 1HB ASP 66 9.641 -15.964 -1.199 504 2HB ASP 66 2HB ASP 66 11.257 -15.279 -1.065 505 H LYS 67 H LYS 67 10.852 -11.829 -0.095 506 HA LYS 67 HA LYS 67 12.423 -11.860 2.358 507 1HB LYS 67 1HB LYS 67 11.154 -9.653 0.661 508 2HB LYS 67 2HB LYS 67 11.942 -9.306 2.186 509 1HG LYS 67 1HG LYS 67 13.326 -10.654 -0.180 510 2HG LYS 67 2HG LYS 67 13.418 -8.931 0.232 511 1HD LYS 67 1HD LYS 67 14.285 -9.633 2.538 512 2HD LYS 67 2HD LYS 67 14.449 -11.279 1.881 513 1HE LYS 67 1HE LYS 67 15.895 -10.385 0.072 514 2HE LYS 67 2HE LYS 67 15.767 -8.770 0.782 515 1HZ LYS 67 1HZ LYS 67 16.770 -9.741 2.826 516 2HZ LYS 67 2HZ LYS 67 16.998 -11.152 2.024 517 3HZ LYS 67 3HZ LYS 67 17.764 -9.792 1.508 518 H LYS 68 H LYS 68 11.662 -11.613 4.426 519 HA LYS 68 HA LYS 68 8.737 -11.574 4.794 520 1HB LYS 68 2HB LYS 68 10.200 -12.940 6.275 521 2HB LYS 68 1HB LYS 68 9.184 -11.800 7.138 522 1HG LYS 68 1HG LYS 68 11.715 -10.510 6.538 523 2HG LYS 68 2HG LYS 68 10.933 -10.776 8.076 524 1HD LYS 68 1HD LYS 68 12.480 -13.007 6.705 525 2HD LYS 68 2HD LYS 68 13.312 -11.728 7.586 526 1HE LYS 68 1HE LYS 68 12.074 -12.225 9.631 527 2HE LYS 68 2HE LYS 68 11.176 -13.520 8.817 528 1HZ LYS 68 1HZ LYS 68 14.129 -13.501 8.995 529 2HZ LYS 68 2HZ LYS 68 13.203 -14.214 10.138 530 3HZ LYS 68 3HZ LYS 68 13.173 -14.756 8.580 531 H ALA 69 H ALA 69 8.253 -9.876 6.645 532 HA ALA 69 HA ALA 69 9.370 -7.195 6.019 533 1HB ALA 69 1HB ALA 69 7.200 -7.455 4.810 534 2HB ALA 69 3HB ALA 69 7.079 -6.267 6.115 535 3HB ALA 69 2HB ALA 69 6.401 -7.880 6.344 536 H ASP 70 H ASP 70 8.976 -5.647 7.831 537 HA ASP 70 HA ASP 70 9.561 -6.930 10.364 538 1HB ASP 70 1HB ASP 70 9.724 -4.268 9.169 539 2HB ASP 70 2HB ASP 70 8.893 -4.185 10.723 540 H CYS 71 H CYS 71 6.721 -5.477 8.760 541 HA CYS 71 HA CYS 71 4.919 -6.930 10.502 542 1HB CYS 71 1HB CYS 71 5.559 -4.321 11.300 543 2HB CYS 71 2HB CYS 71 4.060 -4.110 10.384 544 H THR 72 H THR 72 2.532 -5.665 9.723 545 HA THR 72 HA THR 72 2.492 -6.063 6.765 546 HB THR 72 HB THR 72 0.433 -7.288 8.605 547 HG1 THR 72 HG1 THR 72 2.726 -8.675 7.707 548 1HG2 THR 72 1HG2 THR 72 1.338 -8.059 5.785 549 2HG2 THR 72 2HG2 THR 72 0.196 -8.973 6.784 550 3HG2 THR 72 3HG2 THR 72 -0.223 -7.369 6.226 551 H ILE 73 H ILE 73 0.020 -5.570 6.032 552 HA ILE 73 HA ILE 73 -1.473 -4.202 8.098 553 HB ILE 73 HB ILE 73 -0.274 -2.447 6.520 554 1HG1 ILE 73 1HG1 ILE 73 -3.172 -2.511 7.342 555 2HG1 ILE 73 2HG1 ILE 73 -1.789 -1.986 8.287 556 1HG2 ILE 73 1HG2 ILE 73 -1.026 -3.636 4.430 557 2HG2 ILE 73 2HG2 ILE 73 -2.686 -3.153 4.792 558 3HG2 ILE 73 3HG2 ILE 73 -1.451 -1.912 4.473 559 1HD1 ILE 73 1HD1 ILE 73 -1.438 -0.106 6.603 560 2HD1 ILE 73 2HD1 ILE 73 -2.986 -0.592 5.870 561 3HD1 ILE 73 3HD1 ILE 73 -2.949 0.006 7.530 562 H THR 74 H THR 74 -3.745 -4.765 7.943 563 HA THR 74 HA THR 74 -4.516 -6.637 5.785 564 HB THR 74 HB THR 74 -6.021 -5.296 8.092 565 HG1 THR 74 HG1 THR 74 -5.288 -6.695 9.353 566 1HG2 THR 74 1HG2 THR 74 -6.711 -7.764 6.406 567 2HG2 THR 74 2HG2 THR 74 -7.636 -7.198 7.812 568 3HG2 THR 74 3HG2 THR 74 -7.552 -6.197 6.360 569 H MET 75 H MET 75 -5.674 -5.717 3.872 570 HA MET 75 HA MET 75 -7.537 -3.667 4.861 571 1HB MET 75 1HB MET 75 -5.582 -2.654 3.276 572 2HB MET 75 2HB MET 75 -6.804 -3.090 2.062 573 1HG MET 75 2HG MET 75 -8.468 -1.870 3.595 574 2HG MET 75 1HG MET 75 -7.354 -0.907 2.643 575 1HE MET 75 1HE MET 75 -5.624 0.669 3.472 576 2HE MET 75 2HE MET 75 -4.921 0.673 5.104 577 3HE MET 75 3HE MET 75 -4.622 -0.697 4.016 578 H ALA 76 H ALA 76 -6.770 -5.424 1.942 579 HA ALA 76 HA ALA 76 -8.054 -7.194 0.883 580 1HB ALA 76 1HB ALA 76 -10.150 -6.984 2.285 581 2HB ALA 76 2HB ALA 76 -10.448 -5.405 1.545 582 3HB ALA 76 3HB ALA 76 -10.467 -6.877 0.566 583 H ASP 77 H ASP 77 -8.750 -6.949 -1.284 584 HA ASP 77 HA ASP 77 -7.539 -4.758 -2.663 585 1HB ASP 77 1HB ASP 77 -8.047 -7.109 -3.506 586 2HB ASP 77 2HB ASP 77 -9.684 -6.615 -3.786 587 H SER 78 H SER 78 -10.838 -5.700 -2.116 588 HA SER 78 HA SER 78 -12.093 -3.597 -3.582 589 1HB SER 78 1HB SER 78 -14.154 -4.379 -2.220 590 2HB SER 78 2HB SER 78 -13.340 -5.554 -3.275 591 HG SER 78 HG SER 78 -13.862 -6.346 -1.181 592 H ASP 79 H ASP 79 -10.436 -3.386 -0.715 593 HA ASP 79 HA ASP 79 -11.678 -0.711 -0.273 594 1HB ASP 79 1HB ASP 79 -11.189 -2.544 1.765 595 2HB ASP 79 2HB ASP 79 -9.862 -1.416 1.873 596 H PHE 80 H PHE 80 -8.409 -2.315 -0.502 597 HA PHE 80 HA PHE 80 -6.915 0.110 -0.552 598 1HB PHE 80 1HB PHE 80 -6.396 -2.523 -1.993 599 2HB PHE 80 2HB PHE 80 -5.294 -1.179 -2.054 600 HD1 PHE 80 HD1 PHE 80 -4.394 -0.292 0.373 601 HD2 PHE 80 HD2 PHE 80 -5.846 -4.208 -0.554 602 HE1 PHE 80 HE1 PHE 80 -2.931 -1.248 2.123 603 HE2 PHE 80 HE2 PHE 80 -4.355 -5.194 1.181 604 HZ PHE 80 HZ PHE 80 -2.880 -3.758 2.528 605 H LEU 81 H LEU 81 -8.251 -1.756 -3.279 606 HA LEU 81 HA LEU 81 -7.611 -0.060 -5.440 607 1HB LEU 81 1HB LEU 81 -8.763 -2.433 -5.360 608 2HB LEU 81 2HB LEU 81 -10.244 -1.556 -5.166 609 HG LEU 81 HG LEU 81 -9.404 -0.208 -7.336 610 1HD1 LEU 81 1HD1 LEU 81 -8.012 -2.908 -7.619 611 2HD1 LEU 81 2HD1 LEU 81 -8.217 -1.699 -8.905 612 3HD1 LEU 81 3HD1 LEU 81 -7.212 -1.327 -7.493 613 1HD2 LEU 81 1HD2 LEU 81 -11.475 -1.512 -7.144 614 2HD2 LEU 81 2HD2 LEU 81 -10.706 -1.714 -8.716 615 3HD2 LEU 81 3HD2 LEU 81 -10.569 -3.003 -7.482 616 H ALA 82 H ALA 82 -10.383 -0.059 -3.295 617 HA ALA 82 HA ALA 82 -11.845 2.057 -4.644 618 1HB ALA 82 3HB ALA 82 -13.228 2.170 -2.624 619 2HB ALA 82 1HB ALA 82 -12.960 0.477 -3.087 620 3HB ALA 82 2HB ALA 82 -12.061 1.191 -1.726 621 H LEU 83 H LEU 83 -9.469 2.048 -2.047 622 HA LEU 83 HA LEU 83 -9.724 4.736 -1.213 623 1HB LEU 83 1HB LEU 83 -8.784 2.917 0.122 624 2HB LEU 83 2HB LEU 83 -7.461 2.708 -0.996 625 HG LEU 83 HG LEU 83 -6.674 5.052 -0.410 626 1HD1 LEU 83 1HD1 LEU 83 -8.677 4.682 1.865 627 2HD1 LEU 83 2HD1 LEU 83 -7.435 5.953 1.736 628 3HD1 LEU 83 3HD1 LEU 83 -8.782 5.902 0.589 629 1HD2 LEU 83 1HD2 LEU 83 -6.801 2.923 1.765 630 2HD2 LEU 83 2HD2 LEU 83 -5.608 3.020 0.459 631 3HD2 LEU 83 3HD2 LEU 83 -5.642 4.270 1.712 632 H MET 84 H MET 84 -6.860 3.357 -2.913 633 HA MET 84 HA MET 84 -5.991 6.036 -3.649 634 1HB MET 84 1HB MET 84 -3.964 4.878 -4.366 635 2HB MET 84 2HB MET 84 -4.446 4.583 -2.694 636 1HG MET 84 1HG MET 84 -5.545 2.408 -3.914 637 2HG MET 84 2HG MET 84 -4.190 2.709 -4.986 638 1HE MET 84 1HE MET 84 -1.950 3.693 -3.671 639 2HE MET 84 2HE MET 84 -1.154 2.640 -2.474 640 3HE MET 84 3HE MET 84 -1.478 2.064 -4.119 641 H THR 85 H THR 85 -8.217 5.948 -4.923 642 HA THR 85 HA THR 85 -7.493 6.066 -7.772 643 HB THR 85 HB THR 85 -9.601 4.770 -8.349 644 HG1 THR 85 HG1 THR 85 -9.900 3.209 -6.355 645 1HG2 THR 85 1HG2 THR 85 -7.346 3.702 -8.538 646 2HG2 THR 85 2HG2 THR 85 -7.582 2.998 -6.926 647 3HG2 THR 85 3HG2 THR 85 -8.686 2.567 -8.237 648 H GLY 86 H GLY 86 -9.889 6.406 -5.199 649 1HA GLY 86 1HA GLY 86 -10.825 8.595 -4.660 650 2HA GLY 86 2HA GLY 86 -10.931 8.936 -6.378 651 H LYS 87 H LYS 87 -12.036 6.664 -3.859 652 HA LYS 87 HA LYS 87 -14.775 6.834 -5.006 653 1HB LYS 87 1HB LYS 87 -13.905 4.444 -4.730 654 2HB LYS 87 2HB LYS 87 -13.849 4.748 -2.988 655 1HG LYS 87 1HG LYS 87 -16.321 5.417 -3.179 656 2HG LYS 87 2HG LYS 87 -16.310 4.796 -4.814 657 1HD LYS 87 1HD LYS 87 -15.439 3.094 -2.444 658 2HD LYS 87 2HD LYS 87 -17.136 3.372 -2.742 659 1HE LYS 87 1HE LYS 87 -15.268 2.088 -4.772 660 2HE LYS 87 2HE LYS 87 -16.296 1.214 -3.637 661 1HZ LYS 87 1HZ LYS 87 -18.214 2.447 -4.686 662 2HZ LYS 87 2HZ LYS 87 -17.175 2.927 -5.856 663 3HZ LYS 87 3HZ LYS 87 -17.461 1.328 -5.639 664 H MET 88 H MET 88 -12.727 6.937 -2.038 665 HA MET 88 HA MET 88 -14.913 8.183 -0.500 666 1HB MET 88 1HB MET 88 -13.807 5.425 -0.561 667 2HB MET 88 2HB MET 88 -13.758 6.104 1.048 668 1HG MET 88 1HG MET 88 -16.278 6.340 -0.620 669 2HG MET 88 2HG MET 88 -15.844 4.864 0.221 670 1HE MET 88 1HE MET 88 -18.146 7.595 0.467 671 2HE MET 88 2HE MET 88 -17.955 8.417 2.030 672 3HE MET 88 3HE MET 88 -16.797 8.731 0.725 673 H ASN 89 H ASN 89 -14.150 8.302 1.850 674 HA ASN 89 HA ASN 89 -12.031 10.182 2.092 675 1HB ASN 89 1HB ASN 89 -12.556 10.215 4.410 676 2HB ASN 89 2HB ASN 89 -14.084 10.002 3.574 677 2HD2 ASN 89 1HD2 ASN 89 -15.110 7.718 3.678 678 1HD2 ASN 89 2HD2 ASN 89 -14.398 6.569 4.773 679 HA PRO 90 HA PRO 90 -8.610 7.561 2.473 680 1HB PRO 90 1HB PRO 90 -6.718 9.072 3.763 681 2HB PRO 90 2HB PRO 90 -7.393 9.507 2.167 682 1HG PRO 90 1HG PRO 90 -8.311 10.466 4.897 683 2HG PRO 90 2HG PRO 90 -7.875 11.474 3.471 684 1HD PRO 90 1HD PRO 90 -10.448 10.837 4.012 685 2HD PRO 90 2HD PRO 90 -9.844 10.837 2.323 686 H GLN 91 H GLN 91 -7.013 6.460 3.787 687 HA GLN 91 HA GLN 91 -6.546 4.857 5.244 688 1HB GLN 91 1HB GLN 91 -7.846 6.503 7.427 689 2HB GLN 91 2HB GLN 91 -6.891 5.041 7.630 690 1HG GLN 91 1HG GLN 91 -4.911 6.228 6.703 691 2HG GLN 91 2HG GLN 91 -5.872 7.711 6.581 692 2HE2 GLN 91 1HE2 GLN 91 -5.369 9.065 8.249 693 1HE2 GLN 91 2HE2 GLN 91 -5.169 8.590 9.946 694 H SER 92 H SER 92 -8.046 3.600 3.872 695 HA SER 92 HA SER 92 -10.601 2.854 4.308 696 1HB SER 92 1HB SER 92 -8.084 1.234 3.871 697 2HB SER 92 2HB SER 92 -9.701 0.507 3.793 698 HG SER 92 HG SER 92 -10.089 1.499 2.029 699 H ALA 93 H ALA 93 -7.853 1.404 6.359 700 HA ALA 93 HA ALA 93 -9.611 -0.083 7.909 701 1HB ALA 93 2HB ALA 93 -6.934 1.167 8.661 702 2HB ALA 93 3HB ALA 93 -7.721 -0.212 9.459 703 3HB ALA 93 1HB ALA 93 -7.162 -0.358 7.777 704 H PHE 94 H PHE 94 -9.095 3.409 8.118 705 HA PHE 94 HA PHE 94 -9.733 3.745 10.925 706 1HB PHE 94 1HB PHE 94 -8.489 5.360 9.426 707 2HB PHE 94 2HB PHE 94 -10.000 5.693 8.596 708 HD1 PHE 94 HD1 PHE 94 -11.863 6.910 9.755 709 HD2 PHE 94 HD2 PHE 94 -7.905 6.520 11.416 710 HE1 PHE 94 HE1 PHE 94 -12.297 8.831 11.233 711 HE2 PHE 94 HE2 PHE 94 -8.358 8.444 12.927 712 HZ PHE 94 HZ PHE 94 -10.564 9.599 12.843 713 H PHE 95 H PHE 95 -11.475 3.634 7.834 714 HA PHE 95 HA PHE 95 -14.155 3.874 8.939 715 1HB PHE 95 1HB PHE 95 -13.644 4.664 6.708 716 2HB PHE 95 2HB PHE 95 -13.002 3.119 6.226 717 HD1 PHE 95 HD1 PHE 95 -16.166 4.834 7.256 718 HD2 PHE 95 HD2 PHE 95 -14.365 1.506 5.172 719 HE1 PHE 95 HE1 PHE 95 -18.390 4.162 6.394 720 HE2 PHE 95 HE2 PHE 95 -16.573 0.850 4.311 721 HZ PHE 95 HZ PHE 95 -18.606 2.148 4.938 722 H GLN 96 H GLN 96 -12.761 1.016 7.139 723 HA GLN 96 HA GLN 96 -14.970 -0.403 7.991 724 1HB GLN 96 1HB GLN 96 -13.913 -2.314 6.882 725 2HB GLN 96 2HB GLN 96 -13.940 -0.854 5.913 726 1HG GLN 96 1HG GLN 96 -11.599 -0.547 6.092 727 2HG GLN 96 2HG GLN 96 -11.451 -1.708 7.417 728 2HE2 GLN 96 1HE2 GLN 96 -9.657 -2.632 5.960 729 1HE2 GLN 96 2HE2 GLN 96 -10.200 -3.698 4.676 730 H GLY 97 H GLY 97 -12.019 -0.153 9.866 731 1HA GLY 97 1HA GLY 97 -11.308 -1.309 11.716 732 2HA GLY 97 2HA GLY 97 -13.015 -1.610 12.019 733 H LYS 98 H LYS 98 -10.786 -2.777 9.481 734 HA LYS 98 HA LYS 98 -11.071 -5.611 10.283 735 1HB LYS 98 1HB LYS 98 -10.595 -4.139 7.669 736 2HB LYS 98 2HB LYS 98 -10.004 -5.774 7.842 737 1HG LYS 98 1HG LYS 98 -12.697 -5.713 8.838 738 2HG LYS 98 2HG LYS 98 -12.692 -4.854 7.318 739 1HD LYS 98 1HD LYS 98 -12.017 -6.706 6.070 740 2HD LYS 98 2HD LYS 98 -11.200 -7.501 7.425 741 1HE LYS 98 1HE LYS 98 -14.200 -7.345 7.115 742 2HE LYS 98 2HE LYS 98 -13.195 -8.682 6.590 743 1HZ LYS 98 1HZ LYS 98 -12.448 -8.968 8.912 744 2HZ LYS 98 2HZ LYS 98 -13.455 -7.806 9.404 745 3HZ LYS 98 3HZ LYS 98 -14.081 -9.158 8.749 746 H LEU 99 H LEU 99 -9.613 -4.413 12.020 747 HA LEU 99 HA LEU 99 -7.529 -4.032 12.874 748 1HB LEU 99 1HB LEU 99 -8.427 -6.211 13.526 749 2HB LEU 99 2HB LEU 99 -7.561 -6.975 12.186 750 HG LEU 99 HG LEU 99 -5.382 -6.318 13.190 751 1HD1 LEU 99 1HD1 LEU 99 -7.078 -5.027 15.376 752 2HD1 LEU 99 2HD1 LEU 99 -5.347 -5.393 15.529 753 3HD1 LEU 99 3HD1 LEU 99 -5.879 -4.232 14.325 754 1HD2 LEU 99 1HD2 LEU 99 -6.427 -8.443 13.831 755 2HD2 LEU 99 2HD2 LEU 99 -5.448 -7.770 15.134 756 3HD2 LEU 99 3HD2 LEU 99 -7.223 -7.651 15.215 757 H LYS 100 H LYS 100 -6.680 -2.629 11.230 758 HA LYS 100 HA LYS 100 -4.726 -3.704 9.396 759 1HB LYS 100 1HB LYS 100 -4.345 -1.452 8.769 760 2HB LYS 100 2HB LYS 100 -5.978 -1.610 9.171 761 1HG LYS 100 2HG LYS 100 -5.705 -0.403 11.277 762 2HG LYS 100 1HG LYS 100 -5.107 0.507 9.900 763 1HD LYS 100 1HD LYS 100 -3.530 -0.750 12.130 764 2HD LYS 100 2HD LYS 100 -2.759 -0.452 10.561 765 1HE LYS 100 1HE LYS 100 -4.191 1.680 12.206 766 2HE LYS 100 2HE LYS 100 -2.460 1.347 12.279 767 1HZ LYS 100 1HZ LYS 100 -2.370 1.797 9.872 768 2HZ LYS 100 2HZ LYS 100 -3.942 2.406 9.992 769 3HZ LYS 100 3HZ LYS 100 -2.723 3.087 10.817 770 H ILE 101 H ILE 101 -2.308 -2.940 9.704 771 HA ILE 101 HA ILE 101 -1.437 -3.593 12.453 772 HB ILE 101 HB ILE 101 -0.782 -5.016 9.864 773 1HG1 ILE 101 2HG1 ILE 101 -2.490 -5.711 12.135 774 2HG1 ILE 101 1HG1 ILE 101 -1.249 -6.927 11.872 775 1HG2 ILE 101 1HG2 ILE 101 0.652 -5.306 12.483 776 2HG2 ILE 101 2HG2 ILE 101 0.839 -6.360 11.049 777 3HG2 ILE 101 3HG2 ILE 101 1.302 -4.661 10.948 778 1HD1 ILE 101 1HD1 ILE 101 -3.154 -5.875 9.760 779 2HD1 ILE 101 2HD1 ILE 101 -1.914 -7.124 9.503 780 3HD1 ILE 101 3HD1 ILE 101 -3.272 -7.434 10.604 781 H THR 102 H THR 102 0.955 -3.053 12.677 782 HA THR 102 HA THR 102 2.096 -1.158 13.126 783 HB THR 102 HB THR 102 2.961 -0.044 10.778 784 HG1 THR 102 HG1 THR 102 1.539 -1.767 9.712 785 1HG2 THR 102 1HG2 THR 102 3.833 -2.586 12.174 786 2HG2 THR 102 2HG2 THR 102 4.767 -1.843 10.850 787 3HG2 THR 102 3HG2 THR 102 4.504 -0.970 12.345 788 H GLY 103 H GLY 103 2.350 1.370 11.987 789 1HA GLY 103 1HA GLY 103 -0.027 2.648 11.140 790 2HA GLY 103 2HA GLY 103 0.056 2.778 12.900 791 H ASN 104 H ASN 104 3.036 2.756 12.825 792 HA ASN 104 HA ASN 104 4.690 4.174 13.096 793 1HB ASN 104 1HB ASN 104 4.243 4.269 10.422 794 2HB ASN 104 2HB ASN 104 4.049 5.984 10.819 795 2HD2 ASN 104 1HD2 ASN 104 6.104 7.109 10.533 796 1HD2 ASN 104 2HD2 ASN 104 7.595 6.189 10.651 797 H MET 105 H MET 105 5.135 6.783 13.176 798 HA MET 105 HA MET 105 3.011 8.016 14.761 799 1HB MET 105 1HB MET 105 5.440 8.393 15.068 800 2HB MET 105 2HB MET 105 5.517 9.271 13.544 801 1HG MET 105 1HG MET 105 3.472 10.058 15.623 802 2HG MET 105 2HG MET 105 5.156 10.462 15.916 803 1HE MET 105 1HE MET 105 6.452 12.340 14.964 804 2HE MET 105 2HE MET 105 6.513 11.418 13.443 805 3HE MET 105 3HE MET 105 6.088 13.140 13.425 806 H GLY 106 H GLY 106 1.295 7.664 13.266 807 1HA GLY 106 1HA GLY 106 -0.191 8.098 11.585 808 2HA GLY 106 2HA GLY 106 0.404 9.766 11.651 809 H LEU 107 H LEU 107 1.226 6.487 10.232 810 HA LEU 107 HA LEU 107 3.147 7.616 8.485 811 1HB LEU 107 2HB LEU 107 2.749 5.121 9.152 812 2HB LEU 107 1HB LEU 107 3.470 5.586 7.624 813 HG LEU 107 HG LEU 107 1.215 5.200 6.545 814 1HD1 LEU 107 1HD1 LEU 107 2.705 2.944 7.935 815 2HD1 LEU 107 2HD1 LEU 107 1.532 2.712 6.618 816 3HD1 LEU 107 3HD1 LEU 107 3.020 3.631 6.330 817 1HD2 LEU 107 1HD2 LEU 107 -0.165 5.246 8.690 818 2HD2 LEU 107 2HD2 LEU 107 -0.446 3.859 7.634 819 3HD2 LEU 107 3HD2 LEU 107 0.551 3.680 9.087 820 H ALA 108 H ALA 108 -0.348 7.112 8.095 821 HA ALA 108 HA ALA 108 -0.428 7.112 5.319 822 1HB ALA 108 2HB ALA 108 -2.612 8.096 7.213 823 2HB ALA 108 3HB ALA 108 -2.820 7.607 5.524 824 3HB ALA 108 1HB ALA 108 -2.313 6.408 6.722 825 H MET 109 H MET 109 -1.273 9.891 7.369 826 HA MET 109 HA MET 109 -1.405 12.142 6.842 827 1HB MET 109 1HB MET 109 1.355 11.118 7.417 828 2HB MET 109 2HB MET 109 1.159 12.837 7.118 829 1HG MET 109 1HG MET 109 -0.443 11.272 9.174 830 2HG MET 109 2HG MET 109 1.018 12.189 9.536 831 1HE MET 109 1HE MET 109 1.252 14.735 9.614 832 2HE MET 109 2HE MET 109 0.771 14.934 7.913 833 3HE MET 109 3HE MET 109 -0.014 15.895 9.172 834 H LYS 110 H LYS 110 1.400 11.141 4.767 835 HA LYS 110 HA LYS 110 0.938 13.572 3.176 836 1HB LYS 110 1HB LYS 110 3.252 12.511 3.596 837 2HB LYS 110 2HB LYS 110 2.832 11.340 2.338 838 1HG LYS 110 1HG LYS 110 2.483 13.224 0.737 839 2HG LYS 110 2HG LYS 110 2.814 14.384 2.034 840 1HD LYS 110 1HD LYS 110 5.139 13.256 2.197 841 2HD LYS 110 2HD LYS 110 4.735 12.507 0.653 842 1HE LYS 110 1HE LYS 110 4.122 15.099 0.093 843 2HE LYS 110 2HE LYS 110 5.397 15.337 1.274 844 1HZ LYS 110 1HZ LYS 110 6.800 13.842 -0.208 845 2HZ LYS 110 2HZ LYS 110 5.608 13.983 -1.353 846 3HZ LYS 110 3HZ LYS 110 6.404 15.283 -0.815 847 H LEU 111 H LEU 111 0.515 10.116 2.776 848 HA LEU 111 HA LEU 111 -0.105 8.756 1.104 849 1HB LEU 111 2HB LEU 111 -1.680 8.750 2.836 850 2HB LEU 111 1HB LEU 111 -2.439 8.376 1.354 851 HG LEU 111 HG LEU 111 -2.606 11.271 2.110 852 1HD1 LEU 111 1HD1 LEU 111 -4.654 9.169 1.218 853 2HD1 LEU 111 2HD1 LEU 111 -4.969 10.901 1.411 854 3HD1 LEU 111 3HD1 LEU 111 -3.836 10.352 0.181 855 1HD2 LEU 111 1HD2 LEU 111 -4.016 9.129 3.771 856 2HD2 LEU 111 2HD2 LEU 111 -2.842 10.335 4.338 857 3HD2 LEU 111 3HD2 LEU 111 -4.419 10.861 3.765 858 H GLN 112 H GLN 112 -0.006 11.729 -0.267 859 HA GLN 112 HA GLN 112 -1.983 11.340 -2.314 860 1HB GLN 112 1HB GLN 112 -1.718 13.493 -1.551 861 2HB GLN 112 2HB GLN 112 0.037 13.413 -1.553 862 1HG GLN 112 1HG GLN 112 0.156 13.713 -3.953 863 2HG GLN 112 2HG GLN 112 -1.608 13.581 -4.071 864 2HE2 GLN 112 1HE2 GLN 112 -0.048 15.486 -1.409 865 1HE2 GLN 112 2HE2 GLN 112 -0.477 17.017 -2.133 866 H ASN 113 H ASN 113 1.369 12.272 -3.245 867 HA ASN 113 HA ASN 113 1.253 10.537 -5.547 868 1HB ASN 113 1HB ASN 113 3.447 12.239 -4.331 869 2HB ASN 113 2HB ASN 113 3.801 11.146 -5.644 870 2HD2 ASN 113 1HD2 ASN 113 2.191 14.186 -4.857 871 1HD2 ASN 113 2HD2 ASN 113 1.798 14.604 -6.502 872 H LEU 114 H LEU 114 1.710 9.553 -2.390 873 HA LEU 114 HA LEU 114 3.632 7.408 -3.012 874 1HB LEU 114 1HB LEU 114 3.370 8.368 -0.659 875 2HB LEU 114 2HB LEU 114 1.781 7.614 -0.611 876 HG LEU 114 HG LEU 114 2.913 5.364 -0.955 877 1HD1 LEU 114 1HD1 LEU 114 5.459 7.003 -0.620 878 2HD1 LEU 114 2HD1 LEU 114 5.374 5.238 -0.513 879 3HD1 LEU 114 3HD1 LEU 114 5.010 6.034 -2.043 880 1HD2 LEU 114 1HD2 LEU 114 2.293 6.125 1.290 881 2HD2 LEU 114 2HD2 LEU 114 3.744 5.120 1.297 882 3HD2 LEU 114 3HD2 LEU 114 3.895 6.869 1.473 883 H GLN 115 H GLN 115 0.226 8.113 -3.459 884 HA GLN 115 HA GLN 115 -0.358 5.274 -4.002 885 1HB GLN 115 1HB GLN 115 -1.948 7.129 -2.165 886 2HB GLN 115 2HB GLN 115 -2.412 5.523 -2.656 887 1HG GLN 115 1HG GLN 115 -0.319 4.644 -1.495 888 2HG GLN 115 2HG GLN 115 -0.118 6.267 -0.833 889 2HE2 GLN 115 1HE2 GLN 115 -2.790 3.820 -1.212 890 1HE2 GLN 115 2HE2 GLN 115 -3.223 3.905 0.482 891 H LEU 116 H LEU 116 0.076 6.811 -6.129 892 HA LEU 116 HA LEU 116 -0.705 8.154 -7.783 893 1HB LEU 116 1HB LEU 116 -2.483 6.937 -9.026 894 2HB LEU 116 2HB LEU 116 -1.004 6.097 -8.668 895 HG LEU 116 HG LEU 116 -3.259 5.717 -6.758 896 1HD1 LEU 116 1HD1 LEU 116 -3.127 4.462 -9.542 897 2HD1 LEU 116 2HD1 LEU 116 -4.156 3.857 -8.222 898 3HD1 LEU 116 3HD1 LEU 116 -4.429 5.474 -8.869 899 1HD2 LEU 116 1HD2 LEU 116 -0.965 4.559 -6.514 900 2HD2 LEU 116 2HD2 LEU 116 -2.397 3.525 -6.460 901 3HD2 LEU 116 3HD2 LEU 116 -1.422 3.616 -7.934 902 H GLN 117 H GLN 117 -3.136 8.746 -8.873 903 HA GLN 117 HA GLN 117 -4.529 10.337 -6.797 904 1HB GLN 117 1HB GLN 117 -2.496 11.450 -8.605 905 2HB GLN 117 2HB GLN 117 -4.065 12.169 -8.944 906 1HG GLN 117 1HG GLN 117 -4.295 12.804 -6.528 907 2HG GLN 117 2HG GLN 117 -2.760 12.024 -6.202 908 2HE2 GLN 117 1HE2 GLN 117 -1.023 13.351 -6.181 909 1HE2 GLN 117 2HE2 GLN 117 -0.959 14.932 -6.946 910 HA PRO 118 HA PRO 118 -7.870 9.670 -9.704 911 1HB PRO 118 1HB PRO 118 -9.639 11.657 -9.211 912 2HB PRO 118 2HB PRO 118 -9.224 10.474 -7.942 913 1HG PRO 118 2HG PRO 118 -8.725 12.559 -6.863 914 2HG PRO 118 1HG PRO 118 -8.019 13.227 -8.364 915 1HD PRO 118 1HD PRO 118 -6.062 12.498 -7.453 916 2HD PRO 118 2HD PRO 118 -6.831 11.198 -6.484 917 H GLY 119 H GLY 119 -9.258 11.337 -11.293 918 1HA GLY 119 1HA GLY 119 -9.071 12.879 -13.114 919 2HA GLY 119 2HA GLY 119 -7.295 12.775 -13.010 920 H ASN 120 H ASN 120 -6.228 10.939 -13.749 921 HA ASN 120 HA ASN 120 -5.815 9.316 -15.269 922 1HB ASN 120 1HB ASN 120 -6.838 7.776 -13.719 923 2HB ASN 120 2HB ASN 120 -8.452 8.170 -14.288 924 2HD2 ASN 120 1HD2 ASN 120 -9.150 7.401 -16.405 925 1HD2 ASN 120 2HD2 ASN 120 -8.396 5.972 -17.044 926 H ALA 121 H ALA 121 -5.889 11.116 -16.784 927 HA ALA 121 HA ALA 121 -8.307 11.648 -18.286 928 1HB ALA 121 1HB ALA 121 -6.531 13.346 -17.953 929 2HB ALA 121 2HB ALA 121 -5.418 12.362 -18.938 930 3HB ALA 121 3HB ALA 121 -6.899 13.037 -19.657 931 H LYS 122 H LYS 122 -9.121 9.930 -19.319 932 HA LYS 122 HA LYS 122 -7.830 8.983 -21.685 933 1HB LYS 122 1HB LYS 122 -6.909 7.308 -20.109 934 2HB LYS 122 2HB LYS 122 -8.525 6.946 -19.500 935 1HG LYS 122 1HG LYS 122 -9.116 5.726 -21.381 936 2HG LYS 122 2HG LYS 122 -8.134 6.715 -22.452 937 1HD LYS 122 2HD LYS 122 -6.076 5.584 -21.510 938 2HD LYS 122 1HD LYS 122 -7.115 4.685 -22.578 939 1HE LYS 122 1HE LYS 122 -8.159 3.541 -20.600 940 2HE LYS 122 2HE LYS 122 -6.471 3.161 -20.955 941 1HZ LYS 122 1HZ LYS 122 -5.892 4.847 -19.202 942 2HZ LYS 122 2HZ LYS 122 -7.506 4.745 -18.738 943 3HZ LYS 122 3HZ LYS 122 -6.530 3.436 -18.701 944 H LEU 123 H LEU 123 -9.544 8.410 -23.170 945 HA LEU 123 HA LEU 123 -12.312 8.494 -22.087 946 1HB LEU 123 1HB LEU 123 -11.279 8.489 -24.943 947 2HB LEU 123 2HB LEU 123 -12.879 7.897 -24.503 948 HG LEU 123 HG LEU 123 -13.155 10.162 -23.193 949 1HD1 LEU 123 1HD1 LEU 123 -10.822 10.963 -23.498 950 2HD1 LEU 123 2HD1 LEU 123 -11.069 10.984 -25.255 951 3HD1 LEU 123 3HD1 LEU 123 -12.009 12.069 -24.208 952 1HD2 LEU 123 1HD2 LEU 123 -13.260 10.077 -26.225 953 2HD2 LEU 123 2HD2 LEU 123 -14.539 9.549 -25.071 954 3HD2 LEU 123 3HD2 LEU 123 -14.089 11.241 -25.169 No H/Q in entry = 954 Start of MODEL 8 1 H SER 1 H SER 1 -7.441 -18.209 2.495 2 HA SER 1 HA SER 1 -8.361 -18.110 -0.174 3 1HB SER 1 1HB SER 1 -6.959 -16.034 -0.766 4 2HB SER 1 2HB SER 1 -8.464 -15.667 0.093 5 HG SER 1 HG SER 1 -6.622 -14.572 0.964 6 H SER 2 H SER 2 -6.410 -18.162 -1.624 7 HA SER 2 HA SER 2 -3.872 -18.858 -0.295 8 1HB SER 2 1HB SER 2 -5.282 -20.286 -2.384 9 2HB SER 2 2HB SER 2 -3.896 -19.482 -3.127 10 HG SER 2 HG SER 2 -2.542 -20.510 -1.865 11 H ALA 3 H ALA 3 -2.062 -17.992 -1.703 12 HA ALA 3 HA ALA 3 -2.321 -15.158 -2.083 13 1HB ALA 3 3HB ALA 3 -0.235 -16.207 -1.349 14 2HB ALA 3 2HB ALA 3 0.042 -15.413 -2.908 15 3HB ALA 3 1HB ALA 3 -0.145 -17.169 -2.835 16 H SER 4 H SER 4 -1.420 -14.190 -4.249 17 HA SER 4 HA SER 4 -2.121 -15.544 -6.715 18 1HB SER 4 1HB SER 4 -3.626 -13.137 -5.606 19 2HB SER 4 2HB SER 4 -3.525 -13.524 -7.319 20 HG SER 4 HG SER 4 -4.213 -15.580 -5.554 21 H ASP 5 H ASP 5 -1.807 -12.138 -5.715 22 HA ASP 5 HA ASP 5 -0.317 -10.509 -6.152 23 1HB ASP 5 2HB ASP 5 1.931 -10.876 -6.122 24 2HB ASP 5 1HB ASP 5 1.828 -12.473 -6.858 25 H GLY 6 H GLY 6 -2.162 -11.176 -8.061 26 1HA GLY 6 1HA GLY 6 -0.966 -10.166 -10.546 27 2HA GLY 6 2HA GLY 6 -1.542 -11.830 -10.594 28 H PHE 7 H PHE 7 -3.033 -9.138 -8.721 29 HA PHE 7 HA PHE 7 -5.578 -9.521 -10.183 30 1HB PHE 7 2HB PHE 7 -6.513 -8.051 -8.553 31 2HB PHE 7 1HB PHE 7 -4.938 -7.531 -7.991 32 HD1 PHE 7 HD1 PHE 7 -6.081 -11.100 -8.540 33 HD2 PHE 7 HD2 PHE 7 -5.151 -7.976 -5.694 34 HE1 PHE 7 HE1 PHE 7 -6.162 -12.729 -6.709 35 HE2 PHE 7 HE2 PHE 7 -5.167 -9.625 -3.875 36 HZ PHE 7 HZ PHE 7 -5.759 -12.022 -4.371 37 H LYS 8 H LYS 8 -6.691 -7.123 -10.431 38 HA LYS 8 HA LYS 8 -5.256 -5.571 -12.351 39 1HB LYS 8 1HB LYS 8 -7.654 -5.413 -12.232 40 2HB LYS 8 2HB LYS 8 -7.608 -4.843 -10.555 41 1HG LYS 8 1HG LYS 8 -6.583 -2.751 -11.205 42 2HG LYS 8 2HG LYS 8 -6.274 -3.341 -12.843 43 1HD LYS 8 1HD LYS 8 -8.758 -3.434 -13.229 44 2HD LYS 8 2HD LYS 8 -8.990 -2.731 -11.616 45 1HE LYS 8 1HE LYS 8 -8.826 -0.699 -12.580 46 2HE LYS 8 2HE LYS 8 -7.096 -1.023 -12.756 47 1HZ LYS 8 1HZ LYS 8 -7.660 -1.996 -14.968 48 2HZ LYS 8 2HZ LYS 8 -9.221 -1.461 -14.743 49 3HZ LYS 8 3HZ LYS 8 -8.004 -0.381 -14.832 50 H ALA 9 H ALA 9 -5.478 -5.442 -8.783 51 HA ALA 9 HA ALA 9 -4.108 -3.097 -8.333 52 1HB ALA 9 3HB ALA 9 -3.528 -4.027 -6.142 53 2HB ALA 9 2HB ALA 9 -3.930 -5.666 -6.705 54 3HB ALA 9 1HB ALA 9 -5.193 -4.416 -6.571 55 H ASN 10 H ASN 10 -2.636 -5.738 -10.030 56 HA ASN 10 HA ASN 10 0.008 -5.470 -8.948 57 1HB ASN 10 1HB ASN 10 -1.020 -7.304 -10.603 58 2HB ASN 10 2HB ASN 10 -0.344 -6.235 -11.828 59 2HD2 ASN 10 1HD2 ASN 10 0.366 -8.847 -9.657 60 1HD2 ASN 10 2HD2 ASN 10 2.056 -8.629 -9.503 61 H LEU 11 H LEU 11 -1.851 -3.423 -11.306 62 HA LEU 11 HA LEU 11 0.521 -1.785 -11.764 63 1HB LEU 11 1HB LEU 11 -0.488 -1.057 -13.458 64 2HB LEU 11 2HB LEU 11 -1.625 -2.344 -13.258 65 HG LEU 11 HG LEU 11 -2.628 -0.326 -13.870 66 1HD1 LEU 11 1HD1 LEU 11 -3.538 -1.113 -11.117 67 2HD1 LEU 11 2HD1 LEU 11 -4.445 -0.086 -12.244 68 3HD1 LEU 11 3HD1 LEU 11 -4.057 -1.761 -12.676 69 1HD2 LEU 11 1HD2 LEU 11 -0.891 1.119 -12.575 70 2HD2 LEU 11 2HD2 LEU 11 -2.553 1.744 -12.816 71 3HD2 LEU 11 3HD2 LEU 11 -2.066 1.070 -11.262 72 H VAL 12 H VAL 12 -2.301 -1.646 -9.568 73 HA VAL 12 HA VAL 12 -1.832 0.968 -8.608 74 HB VAL 12 HB VAL 12 -3.071 -1.494 -7.297 75 1HG1 VAL 12 1HG1 VAL 12 -2.873 1.319 -6.233 76 2HG1 VAL 12 2HG1 VAL 12 -4.006 0.093 -5.591 77 3HG1 VAL 12 3HG1 VAL 12 -2.272 -0.153 -5.457 78 1HG2 VAL 12 1HG2 VAL 12 -4.197 1.108 -8.400 79 2HG2 VAL 12 2HG2 VAL 12 -4.403 -0.508 -9.121 80 3HG2 VAL 12 3HG2 VAL 12 -5.154 -0.121 -7.559 81 H PHE 13 H PHE 13 -0.564 -2.165 -7.278 82 HA PHE 13 HA PHE 13 0.968 -0.746 -5.296 83 1HB PHE 13 1HB PHE 13 1.218 -3.557 -6.366 84 2HB PHE 13 2HB PHE 13 2.156 -2.894 -5.027 85 HD1 PHE 13 HD1 PHE 13 0.979 -2.107 -2.917 86 HD2 PHE 13 HD2 PHE 13 -0.869 -4.635 -5.867 87 HE1 PHE 13 HE1 PHE 13 -0.766 -2.808 -1.258 88 HE2 PHE 13 HE2 PHE 13 -2.618 -5.280 -4.194 89 HZ PHE 13 HZ PHE 13 -2.607 -4.263 -1.946 90 H LYS 14 H LYS 14 1.533 -1.417 -8.684 91 HA LYS 14 HA LYS 14 4.382 -1.057 -8.549 92 1HB LYS 14 1HB LYS 14 3.137 -2.253 -10.258 93 2HB LYS 14 2HB LYS 14 2.572 -0.756 -10.962 94 1HG LYS 14 1HG LYS 14 4.751 -0.028 -11.549 95 2HG LYS 14 2HG LYS 14 5.556 -1.138 -10.463 96 1HD LYS 14 1HD LYS 14 3.911 -2.197 -12.783 97 2HD LYS 14 2HD LYS 14 5.518 -1.540 -13.065 98 1HE LYS 14 1HE LYS 14 4.904 -3.798 -11.116 99 2HE LYS 14 2HE LYS 14 5.507 -4.004 -12.763 100 1HZ LYS 14 1HZ LYS 14 7.362 -2.411 -11.909 101 2HZ LYS 14 2HZ LYS 14 6.929 -2.932 -10.431 102 3HZ LYS 14 3HZ LYS 14 7.452 -4.021 -11.527 103 H GLU 15 H GLU 15 1.673 0.988 -9.198 104 HA GLU 15 HA GLU 15 3.097 3.434 -9.794 105 1HB GLU 15 1HB GLU 15 0.585 3.059 -8.181 106 2HB GLU 15 2HB GLU 15 1.268 4.658 -8.381 107 1HG GLU 15 1HG GLU 15 0.571 2.922 -10.769 108 2HG GLU 15 2HG GLU 15 -0.597 3.948 -9.929 109 H ILE 16 H ILE 16 2.337 2.055 -6.541 110 HA ILE 16 HA ILE 16 3.629 3.994 -4.983 111 HB ILE 16 HB ILE 16 3.281 1.004 -4.479 112 1HG1 ILE 16 1HG1 ILE 16 1.350 3.202 -3.630 113 2HG1 ILE 16 2HG1 ILE 16 1.044 2.182 -5.011 114 1HG2 ILE 16 1HG2 ILE 16 4.861 2.093 -2.967 115 2HG2 ILE 16 2HG2 ILE 16 3.621 3.295 -2.538 116 3HG2 ILE 16 3HG2 ILE 16 3.412 1.574 -2.118 117 1HD1 ILE 16 1HD1 ILE 16 1.302 0.163 -3.450 118 2HD1 ILE 16 2HD1 ILE 16 1.138 1.317 -2.124 119 3HD1 ILE 16 3HD1 ILE 16 -0.152 1.148 -3.328 120 H GLU 17 H GLU 17 4.808 0.875 -6.322 121 HA GLU 17 HA GLU 17 7.543 1.083 -5.637 122 1HB GLU 17 1HB GLU 17 6.650 -0.987 -6.566 123 2HB GLU 17 2HB GLU 17 6.151 -0.166 -8.000 124 1HG GLU 17 1HG GLU 17 8.490 0.259 -8.671 125 2HG GLU 17 2HG GLU 17 9.056 -0.578 -7.234 126 H LYS 18 H LYS 18 5.996 2.256 -8.634 127 HA LYS 18 HA LYS 18 8.355 3.054 -9.862 128 1HB LYS 18 1HB LYS 18 6.279 2.799 -11.060 129 2HB LYS 18 2HB LYS 18 5.483 4.064 -10.139 130 1HG LYS 18 1HG LYS 18 7.933 4.775 -11.771 131 2HG LYS 18 2HG LYS 18 6.412 4.444 -12.595 132 1HD LYS 18 1HD LYS 18 5.271 6.186 -11.158 133 2HD LYS 18 2HD LYS 18 6.845 6.577 -10.467 134 1HE LYS 18 1HE LYS 18 6.613 8.174 -12.148 135 2HE LYS 18 2HE LYS 18 7.672 6.961 -12.860 136 1HZ LYS 18 1HZ LYS 18 5.320 6.069 -13.684 137 2HZ LYS 18 2HZ LYS 18 4.935 7.646 -13.564 138 3HZ LYS 18 3HZ LYS 18 6.206 7.213 -14.517 139 H LYS 19 H LYS 19 6.157 4.982 -7.781 140 HA LYS 19 HA LYS 19 7.722 7.365 -7.815 141 1HB LYS 19 1HB LYS 19 5.398 7.238 -7.035 142 2HB LYS 19 2HB LYS 19 5.872 6.192 -5.702 143 1HG LYS 19 1HG LYS 19 5.427 8.397 -4.964 144 2HG LYS 19 2HG LYS 19 7.126 8.030 -4.642 145 1HD LYS 19 1HD LYS 19 6.293 9.564 -7.113 146 2HD LYS 19 2HD LYS 19 6.282 10.365 -5.541 147 1HE LYS 19 1HE LYS 19 8.676 9.881 -5.205 148 2HE LYS 19 2HE LYS 19 8.734 9.057 -6.768 149 1HZ LYS 19 1HZ LYS 19 8.071 11.918 -6.436 150 2HZ LYS 19 2HZ LYS 19 9.517 11.329 -6.938 151 3HZ LYS 19 3HZ LYS 19 8.158 11.091 -7.853 152 H LEU 20 H LEU 20 7.837 4.526 -5.543 153 HA LEU 20 HA LEU 20 9.917 5.520 -3.941 154 1HB LEU 20 1HB LEU 20 8.423 3.059 -4.286 155 2HB LEU 20 2HB LEU 20 10.102 2.636 -4.219 156 HG LEU 20 HG LEU 20 9.464 4.676 -2.164 157 1HD1 LEU 20 1HD1 LEU 20 7.235 3.670 -2.409 158 2HD1 LEU 20 2HD1 LEU 20 7.922 2.093 -1.976 159 3HD1 LEU 20 3HD1 LEU 20 7.963 3.447 -0.809 160 1HD2 LEU 20 1HD2 LEU 20 11.470 3.188 -2.345 161 2HD2 LEU 20 2HD2 LEU 20 10.701 3.231 -0.771 162 3HD2 LEU 20 3HD2 LEU 20 10.424 1.829 -1.831 163 H GLU 21 H GLU 21 10.106 3.638 -6.930 164 HA GLU 21 HA GLU 21 12.929 3.611 -6.959 165 1HB GLU 21 2HB GLU 21 12.776 2.858 -9.297 166 2HB GLU 21 1HB GLU 21 11.044 3.192 -9.262 167 1HG GLU 21 1HG GLU 21 10.816 1.577 -7.284 168 2HG GLU 21 2HG GLU 21 11.300 0.860 -8.801 169 H GLU 22 H GLU 22 10.658 5.962 -8.402 170 HA GLU 22 HA GLU 22 12.638 7.573 -9.706 171 1HB GLU 22 1HB GLU 22 10.059 8.530 -8.401 172 2HB GLU 22 2HB GLU 22 11.020 9.381 -9.589 173 1HG GLU 22 1HG GLU 22 10.360 6.895 -10.814 174 2HG GLU 22 2HG GLU 22 8.903 7.440 -9.959 175 H GLU 23 H GLU 23 11.314 7.769 -6.369 176 HA GLU 23 HA GLU 23 13.627 9.144 -5.376 177 1HB GLU 23 1HB GLU 23 12.310 10.891 -6.710 178 2HB GLU 23 2HB GLU 23 10.980 10.667 -5.558 179 1HG GLU 23 1HG GLU 23 12.481 11.278 -3.713 180 2HG GLU 23 2HG GLU 23 13.860 11.289 -4.824 181 H GLY 24 H GLY 24 13.040 6.883 -4.437 182 1HA GLY 24 1HA GLY 24 10.986 6.610 -2.472 183 2HA GLY 24 2HA GLY 24 12.446 5.650 -2.639 184 H GLU 25 H GLU 25 14.203 8.102 -2.446 185 HA GLU 25 HA GLU 25 14.934 7.573 0.082 186 1HB GLU 25 2HB GLU 25 16.302 8.819 -1.695 187 2HB GLU 25 1HB GLU 25 16.564 9.263 -0.017 188 1HG GLU 25 1HG GLU 25 15.135 10.807 -2.212 189 2HG GLU 25 2HG GLU 25 14.943 11.260 -0.514 190 H GLN 26 H GLN 26 12.633 10.022 -0.757 191 HA GLN 26 HA GLN 26 12.416 11.246 1.883 192 1HB GLN 26 1HB GLN 26 12.647 12.392 -0.330 193 2HB GLN 26 2HB GLN 26 11.153 11.663 -0.890 194 1HG GLN 26 1HG GLN 26 11.232 13.383 1.602 195 2HG GLN 26 2HG GLN 26 11.302 14.111 -0.005 196 2HE2 GLN 26 1HE2 GLN 26 9.469 12.895 -1.589 197 1HE2 GLN 26 2HE2 GLN 26 7.897 12.978 -0.868 198 H PHE 27 H PHE 27 10.873 8.847 -0.108 199 HA PHE 27 HA PHE 27 8.322 8.697 1.272 200 1HB PHE 27 1HB PHE 27 9.726 7.464 -1.031 201 2HB PHE 27 2HB PHE 27 8.817 6.314 -0.080 202 HD1 PHE 27 HD1 PHE 27 8.020 9.928 -0.822 203 HD2 PHE 27 HD2 PHE 27 7.059 5.779 -1.551 204 HE1 PHE 27 HE1 PHE 27 5.980 10.607 -2.027 205 HE2 PHE 27 HE2 PHE 27 5.046 6.470 -2.800 206 HZ PHE 27 HZ PHE 27 4.467 8.887 -2.967 207 H VAL 28 H VAL 28 11.589 7.268 1.544 208 HA VAL 28 HA VAL 28 11.064 5.116 3.256 209 HB VAL 28 HB VAL 28 13.409 7.008 2.947 210 1HG1 VAL 28 1HG1 VAL 28 13.288 4.561 4.740 211 2HG1 VAL 28 2HG1 VAL 28 14.789 5.321 4.193 212 3HG1 VAL 28 3HG1 VAL 28 13.667 6.222 5.235 213 1HG2 VAL 28 1HG2 VAL 28 12.822 5.292 1.144 214 2HG2 VAL 28 2HG2 VAL 28 14.448 5.159 1.830 215 3HG2 VAL 28 3HG2 VAL 28 13.184 4.032 2.323 216 H LYS 29 H LYS 29 11.383 8.618 4.104 217 HA LYS 29 HA LYS 29 11.058 8.170 6.921 218 1HB LYS 29 1HB LYS 29 10.351 10.529 5.151 219 2HB LYS 29 2HB LYS 29 10.297 10.601 6.912 220 1HG LYS 29 1HG LYS 29 12.794 10.105 5.227 221 2HG LYS 29 2HG LYS 29 12.325 11.643 5.964 222 1HD LYS 29 1HD LYS 29 12.444 10.609 8.227 223 2HD LYS 29 2HD LYS 29 12.944 9.073 7.470 224 1HE LYS 29 1HE LYS 29 14.882 10.253 6.433 225 2HE LYS 29 2HE LYS 29 14.449 11.715 7.324 226 1HZ LYS 29 1HZ LYS 29 15.079 9.119 8.591 227 2HZ LYS 29 2HZ LYS 29 16.163 10.345 8.353 228 3HZ LYS 29 3HZ LYS 29 14.887 10.562 9.371 229 H LYS 30 H LYS 30 8.578 8.130 4.329 230 HA LYS 30 HA LYS 30 6.527 9.098 6.049 231 1HB LYS 30 1HB LYS 30 6.254 7.460 3.522 232 2HB LYS 30 2HB LYS 30 4.997 8.460 4.241 233 1HG LYS 30 1HG LYS 30 7.698 9.656 3.391 234 2HG LYS 30 2HG LYS 30 6.420 9.350 2.265 235 1HD LYS 30 1HD LYS 30 4.872 10.793 3.650 236 2HD LYS 30 2HD LYS 30 6.236 11.095 4.738 237 1HE LYS 30 1HE LYS 30 7.547 11.935 2.758 238 2HE LYS 30 2HE LYS 30 6.099 11.840 1.789 239 1HZ LYS 30 1HZ LYS 30 6.467 13.479 4.224 240 2HZ LYS 30 2HZ LYS 30 6.465 14.041 2.684 241 3HZ LYS 30 3HZ LYS 30 5.079 13.461 3.339 242 H ILE 31 H ILE 31 7.775 5.925 5.530 243 HA ILE 31 HA ILE 31 5.672 4.576 7.271 244 HB ILE 31 HB ILE 31 7.433 3.703 4.982 245 1HG1 ILE 31 1HG1 ILE 31 4.800 2.662 4.802 246 2HG1 ILE 31 2HG1 ILE 31 4.552 4.261 5.450 247 1HG2 ILE 31 1HG2 ILE 31 7.751 2.047 6.788 248 2HG2 ILE 31 2HG2 ILE 31 5.979 1.887 6.935 249 3HG2 ILE 31 3HG2 ILE 31 6.845 1.463 5.450 250 1HD1 ILE 31 1HD1 ILE 31 5.948 5.203 3.564 251 2HD1 ILE 31 2HD1 ILE 31 6.010 3.571 2.869 252 3HD1 ILE 31 3HD1 ILE 31 4.452 4.394 3.062 253 H GLY 32 H GLY 32 9.267 4.557 6.309 254 1HA GLY 32 1HA GLY 32 11.109 4.076 7.440 255 2HA GLY 32 2HA GLY 32 10.295 4.594 8.921 256 H GLY 33 H GLY 33 10.449 1.794 6.572 257 1HA GLY 33 1HA GLY 33 11.235 -0.034 8.529 258 2HA GLY 33 2HA GLY 33 9.465 -0.146 8.386 259 H ILE 34 H ILE 34 10.748 -2.409 7.731 260 HA ILE 34 HA ILE 34 10.095 -2.515 4.825 261 HB ILE 34 HB ILE 34 10.716 -4.831 6.730 262 1HG1 ILE 34 2HG1 ILE 34 12.185 -3.884 4.236 263 2HG1 ILE 34 1HG1 ILE 34 12.487 -5.395 5.053 264 1HG2 ILE 34 1HG2 ILE 34 9.902 -4.787 3.773 265 2HG2 ILE 34 2HG2 ILE 34 10.495 -6.225 4.621 266 3HG2 ILE 34 3HG2 ILE 34 8.983 -5.495 5.107 267 1HD1 ILE 34 1HD1 ILE 34 13.134 -4.132 7.137 268 2HD1 ILE 34 2HD1 ILE 34 14.221 -3.954 5.747 269 3HD1 ILE 34 3HD1 ILE 34 13.101 -2.646 6.150 270 H PHE 35 H PHE 35 7.962 -3.199 4.345 271 HA PHE 35 HA PHE 35 6.485 -4.471 6.503 272 1HB PHE 35 2HB PHE 35 5.561 -2.222 6.626 273 2HB PHE 35 1HB PHE 35 4.366 -3.347 6.007 274 HD1 PHE 35 HD1 PHE 35 3.971 -3.378 3.377 275 HD2 PHE 35 HD2 PHE 35 6.234 -0.411 5.397 276 HE1 PHE 35 HE1 PHE 35 3.583 -1.903 1.520 277 HE2 PHE 35 HE2 PHE 35 5.762 1.207 3.472 278 HZ PHE 35 HZ PHE 35 4.387 0.463 1.573 279 H ALA 36 H ALA 36 4.496 -5.518 5.473 280 HA ALA 36 HA ALA 36 4.659 -5.655 2.541 281 1HB ALA 36 2HB ALA 36 3.968 -8.046 4.289 282 2HB ALA 36 3HB ALA 36 3.982 -7.983 2.518 283 3HB ALA 36 1HB ALA 36 5.482 -7.809 3.413 284 H PHE 37 H PHE 37 2.401 -6.403 1.730 285 HA PHE 37 HA PHE 37 0.238 -4.977 3.254 286 1HB PHE 37 1HB PHE 37 0.739 -5.380 0.280 287 2HB PHE 37 2HB PHE 37 -0.758 -4.795 0.925 288 HD1 PHE 37 HD1 PHE 37 -0.289 -2.687 2.758 289 HD2 PHE 37 HD2 PHE 37 1.993 -3.719 -0.748 290 HE1 PHE 37 HE1 PHE 37 0.334 -0.326 2.452 291 HE2 PHE 37 HE2 PHE 37 2.539 -1.378 -1.108 292 HZ PHE 37 HZ PHE 37 1.678 0.379 0.482 293 H LYS 38 H LYS 38 -1.390 -6.496 3.992 294 HA LYS 38 HA LYS 38 -1.405 -9.108 2.543 295 1HB LYS 38 1HB LYS 38 -1.758 -8.251 5.337 296 2HB LYS 38 2HB LYS 38 -3.156 -9.146 4.845 297 1HG LYS 38 1HG LYS 38 -0.408 -10.282 4.219 298 2HG LYS 38 2HG LYS 38 -1.024 -10.339 5.884 299 1HD LYS 38 1HD LYS 38 -2.914 -11.722 5.173 300 2HD LYS 38 2HD LYS 38 -2.443 -11.535 3.472 301 1HE LYS 38 2HE LYS 38 -0.317 -12.698 3.871 302 2HE LYS 38 1HE LYS 38 -1.701 -13.707 4.281 303 1HZ LYS 38 1HZ LYS 38 -1.276 -13.146 6.655 304 2HZ LYS 38 2HZ LYS 38 0.009 -13.878 5.963 305 3HZ LYS 38 3HZ LYS 38 0.030 -12.271 6.251 306 H VAL 39 H VAL 39 -2.706 -8.979 0.856 307 HA VAL 39 HA VAL 39 -4.927 -7.034 1.007 308 HB VAL 39 HB VAL 39 -3.562 -8.256 -1.481 309 1HG1 VAL 39 1HG1 VAL 39 -5.146 -5.735 -0.968 310 2HG1 VAL 39 2HG1 VAL 39 -4.358 -6.137 -2.514 311 3HG1 VAL 39 3HG1 VAL 39 -5.650 -7.161 -1.872 312 1HG2 VAL 39 1HG2 VAL 39 -2.527 -5.802 -0.087 313 2HG2 VAL 39 2HG2 VAL 39 -1.711 -7.364 -0.247 314 3HG2 VAL 39 3HG2 VAL 39 -2.049 -6.446 -1.680 315 H LYS 40 H LYS 40 -6.721 -8.385 1.630 316 HA LYS 40 HA LYS 40 -7.117 -10.946 0.085 317 1HB LYS 40 1HB LYS 40 -9.095 -11.250 1.725 318 2HB LYS 40 2HB LYS 40 -7.477 -11.590 2.250 319 1HG LYS 40 1HG LYS 40 -7.340 -9.617 3.552 320 2HG LYS 40 2HG LYS 40 -8.786 -8.913 2.796 321 1HD LYS 40 1HD LYS 40 -8.864 -11.489 4.399 322 2HD LYS 40 2HD LYS 40 -9.003 -9.950 5.177 323 1HE LYS 40 1HE LYS 40 -10.891 -10.988 3.012 324 2HE LYS 40 2HE LYS 40 -11.195 -11.018 4.740 325 1HZ LYS 40 1HZ LYS 40 -11.161 -8.546 4.709 326 2HZ LYS 40 2HZ LYS 40 -11.055 -8.574 3.067 327 3HZ LYS 40 3HZ LYS 40 -12.331 -9.203 3.767 328 H ASP 41 H ASP 41 -9.551 -11.301 -0.310 329 HA ASP 41 HA ASP 41 -11.430 -10.766 -1.477 330 1HB ASP 41 1HB ASP 41 -11.685 -9.552 0.703 331 2HB ASP 41 2HB ASP 41 -11.175 -8.077 -0.113 332 H GLY 42 H GLY 42 -8.970 -10.443 -2.842 333 1HA GLY 42 1HA GLY 42 -9.141 -8.209 -4.715 334 2HA GLY 42 2HA GLY 42 -8.103 -9.631 -4.843 335 HA PRO 43 HA PRO 43 -11.874 -9.920 -7.714 336 1HB PRO 43 1HB PRO 43 -10.524 -9.936 -10.130 337 2HB PRO 43 2HB PRO 43 -11.250 -8.518 -9.346 338 1HG PRO 43 1HG PRO 43 -8.351 -9.364 -9.289 339 2HG PRO 43 2HG PRO 43 -9.022 -7.720 -9.492 340 1HD PRO 43 1HD PRO 43 -8.115 -8.588 -7.072 341 2HD PRO 43 2HD PRO 43 -9.539 -7.531 -7.215 342 H GLY 44 H GLY 44 -12.266 -11.849 -6.854 343 1HA GLY 44 1HA GLY 44 -12.316 -14.250 -7.763 344 2HA GLY 44 2HA GLY 44 -10.573 -14.215 -7.469 345 H GLY 45 H GLY 45 -11.287 -12.373 -5.007 346 1HA GLY 45 1HA GLY 45 -11.963 -12.574 -2.812 347 2HA GLY 45 2HA GLY 45 -12.672 -14.165 -3.140 348 H LYS 46 H LYS 46 -9.669 -14.024 -4.453 349 HA LYS 46 HA LYS 46 -8.211 -15.650 -2.556 350 1HB LYS 46 1HB LYS 46 -7.566 -14.150 -5.105 351 2HB LYS 46 2HB LYS 46 -6.420 -15.259 -4.323 352 1HG LYS 46 1HG LYS 46 -7.756 -17.179 -4.755 353 2HG LYS 46 2HG LYS 46 -9.177 -16.233 -5.214 354 1HD LYS 46 1HD LYS 46 -8.070 -15.391 -7.210 355 2HD LYS 46 2HD LYS 46 -6.585 -16.239 -6.793 356 1HE LYS 46 1HE LYS 46 -9.246 -17.572 -7.463 357 2HE LYS 46 2HE LYS 46 -7.862 -17.381 -8.551 358 1HZ LYS 46 1HZ LYS 46 -6.566 -18.673 -6.901 359 2HZ LYS 46 2HZ LYS 46 -8.000 -19.032 -6.122 360 3HZ LYS 46 3HZ LYS 46 -7.751 -19.536 -7.649 361 H GLU 47 H GLU 47 -5.693 -14.563 -2.482 362 HA GLU 47 HA GLU 47 -5.949 -11.783 -1.634 363 1HB GLU 47 1HB GLU 47 -4.692 -11.970 0.369 364 2HB GLU 47 2HB GLU 47 -5.988 -13.140 0.484 365 1HG GLU 47 1HG GLU 47 -4.392 -14.955 -0.025 366 2HG GLU 47 2HG GLU 47 -3.112 -13.782 -0.354 367 H ALA 48 H ALA 48 -3.724 -10.788 -1.381 368 HA ALA 48 HA ALA 48 -1.601 -12.065 -2.915 369 1HB ALA 48 2HB ALA 48 -2.662 -9.285 -3.601 370 2HB ALA 48 1HB ALA 48 -2.778 -10.742 -4.632 371 3HB ALA 48 3HB ALA 48 -1.198 -10.056 -4.249 372 H THR 49 H THR 49 0.444 -10.570 -2.680 373 HA THR 49 HA THR 49 0.266 -8.574 -0.565 374 HB THR 49 HB THR 49 2.044 -11.081 -0.423 375 HG1 THR 49 HG1 THR 49 -0.176 -10.873 0.509 376 1HG2 THR 49 1HG2 THR 49 2.316 -8.484 1.129 377 2HG2 THR 49 2HG2 THR 49 2.991 -10.009 1.710 378 3HG2 THR 49 3HG2 THR 49 3.550 -9.322 0.184 379 H TRP 50 H TRP 50 1.979 -7.088 -0.641 380 HA TRP 50 HA TRP 50 4.107 -7.353 -2.720 381 1HB TRP 50 1HB TRP 50 2.083 -5.183 -2.252 382 2HB TRP 50 2HB TRP 50 3.761 -4.633 -2.308 383 HD1 TRP 50 HD1 TRP 50 4.598 -4.114 -4.771 384 HE1 TRP 50 HE1 TRP 50 3.813 -4.728 -7.126 385 HE3 TRP 50 HE3 TRP 50 0.630 -7.017 -3.477 386 HZ2 TRP 50 HZ2 TRP 50 1.887 -6.528 -8.245 387 HZ3 TRP 50 HZ3 TRP 50 -0.712 -8.172 -5.186 388 HH2 TRP 50 HH2 TRP 50 -0.136 -7.995 -7.573 389 H VAL 51 H VAL 51 6.116 -6.351 -1.786 390 HA VAL 51 HA VAL 51 6.174 -5.999 1.147 391 HB VAL 51 HB VAL 51 8.320 -7.409 -0.467 392 1HG1 VAL 51 1HG1 VAL 51 9.170 -6.185 1.509 393 2HG1 VAL 51 2HG1 VAL 51 8.010 -7.022 2.539 394 3HG1 VAL 51 3HG1 VAL 51 9.318 -7.922 1.735 395 1HG2 VAL 51 1HG2 VAL 51 6.247 -8.725 1.284 396 2HG2 VAL 51 2HG2 VAL 51 6.510 -8.959 -0.456 397 3HG2 VAL 51 3HG2 VAL 51 7.737 -9.495 0.681 398 H VAL 52 H VAL 52 7.285 -4.115 1.689 399 HA VAL 52 HA VAL 52 8.604 -2.638 -0.542 400 HB VAL 52 HB VAL 52 6.646 -1.514 1.469 401 1HG1 VAL 52 1HG1 VAL 52 8.105 -0.234 -0.875 402 2HG1 VAL 52 2HG1 VAL 52 6.763 0.530 0.006 403 3HG1 VAL 52 3HG1 VAL 52 8.276 0.140 0.830 404 1HG2 VAL 52 1HG2 VAL 52 6.233 -2.209 -1.467 405 2HG2 VAL 52 2HG2 VAL 52 5.323 -2.811 -0.077 406 3HG2 VAL 52 3HG2 VAL 52 5.162 -1.122 -0.558 407 H ASP 53 H ASP 53 10.641 -2.356 0.029 408 HA ASP 53 HA ASP 53 11.445 -2.034 2.850 409 1HB ASP 53 1HB ASP 53 12.793 -2.986 0.539 410 2HB ASP 53 2HB ASP 53 13.470 -1.387 0.825 411 H VAL 54 H VAL 54 10.953 -0.062 3.672 412 HA VAL 54 HA VAL 54 11.735 2.341 2.152 413 HB VAL 54 HB VAL 54 9.715 3.420 3.544 414 1HG1 VAL 54 1HG1 VAL 54 9.429 2.123 0.841 415 2HG1 VAL 54 2HG1 VAL 54 8.320 3.334 1.535 416 3HG1 VAL 54 3HG1 VAL 54 10.001 3.769 1.228 417 1HG2 VAL 54 1HG2 VAL 54 8.614 0.638 2.963 418 2HG2 VAL 54 2HG2 VAL 54 8.873 1.398 4.545 419 3HG2 VAL 54 3HG2 VAL 54 7.701 2.081 3.405 420 H LYS 55 H LYS 55 13.465 1.159 3.480 421 HA LYS 55 HA LYS 55 13.993 2.701 5.900 422 1HB LYS 55 1HB LYS 55 12.777 1.154 7.040 423 2HB LYS 55 2HB LYS 55 13.169 -0.201 5.991 424 1HG LYS 55 1HG LYS 55 15.301 1.053 7.746 425 2HG LYS 55 2HG LYS 55 14.094 -0.014 8.444 426 1HD LYS 55 1HD LYS 55 15.074 -1.885 7.661 427 2HD LYS 55 2HD LYS 55 15.142 -1.266 6.030 428 1HE LYS 55 1HE LYS 55 17.377 -1.643 6.591 429 2HE LYS 55 2HE LYS 55 17.171 0.113 6.702 430 1HZ LYS 55 1HZ LYS 55 16.777 -0.360 9.168 431 2HZ LYS 55 2HZ LYS 55 17.424 -1.827 8.896 432 3HZ LYS 55 3HZ LYS 55 18.314 -0.458 8.606 433 H ASN 56 H ASN 56 14.918 -0.120 3.818 434 HA ASN 56 HA ASN 56 17.772 0.268 4.322 435 1HB ASN 56 1HB ASN 56 16.067 -1.349 2.368 436 2HB ASN 56 2HB ASN 56 17.711 -1.042 2.012 437 2HD2 ASN 56 1HD2 ASN 56 15.613 -2.854 4.069 438 1HD2 ASN 56 2HD2 ASN 56 16.878 -3.844 4.811 439 H GLY 57 H GLY 57 19.089 1.684 3.198 440 1HA GLY 57 1HA GLY 57 19.685 3.367 1.789 441 2HA GLY 57 2HA GLY 57 19.073 2.284 0.551 442 H LYS 58 H LYS 58 17.905 3.537 -0.817 443 HA LYS 58 HA LYS 58 16.190 5.682 0.272 444 1HB LYS 58 2HB LYS 58 16.131 6.702 -1.725 445 2HB LYS 58 1HB LYS 58 16.111 5.224 -2.616 446 1HG LYS 58 1HG LYS 58 18.560 4.984 -2.315 447 2HG LYS 58 2HG LYS 58 17.922 6.240 -3.331 448 1HD LYS 58 2HD LYS 58 18.220 7.751 -1.130 449 2HD LYS 58 1HD LYS 58 19.424 7.594 -2.400 450 1HE LYS 58 2HE LYS 58 19.316 5.874 0.114 451 2HE LYS 58 1HE LYS 58 20.338 7.302 -0.083 452 1HZ LYS 58 1HZ LYS 58 20.502 4.872 -1.773 453 2HZ LYS 58 2HZ LYS 58 21.478 6.194 -1.896 454 3HZ LYS 58 3HZ LYS 58 21.542 5.217 -0.579 455 H GLY 59 H GLY 59 15.762 2.380 0.042 456 1HA GLY 59 1HA GLY 59 13.798 1.339 0.258 457 2HA GLY 59 2HA GLY 59 12.904 2.787 -0.211 458 H SER 60 H SER 60 12.383 0.259 -1.151 459 HA SER 60 HA SER 60 12.190 0.469 -3.915 460 1HB SER 60 1HB SER 60 14.038 -1.726 -2.786 461 2HB SER 60 2HB SER 60 13.514 -1.687 -4.458 462 HG SER 60 HG SER 60 14.631 0.682 -3.710 463 H VAL 61 H VAL 61 10.694 -1.070 -4.727 464 HA VAL 61 HA VAL 61 9.211 -2.640 -2.682 465 HB VAL 61 HB VAL 61 8.529 -1.779 -5.510 466 1HG1 VAL 61 1HG1 VAL 61 6.817 -3.323 -3.530 467 2HG1 VAL 61 2HG1 VAL 61 6.195 -2.536 -4.991 468 3HG1 VAL 61 3HG1 VAL 61 7.337 -3.854 -5.152 469 1HG2 VAL 61 1HG2 VAL 61 7.459 -0.908 -2.798 470 2HG2 VAL 61 2HG2 VAL 61 8.405 0.092 -3.916 471 3HG2 VAL 61 3HG2 VAL 61 6.755 -0.422 -4.323 472 H LEU 62 H LEU 62 8.595 -4.800 -3.219 473 HA LEU 62 HA LEU 62 10.676 -6.341 -4.710 474 1HB LEU 62 1HB LEU 62 9.587 -6.679 -1.921 475 2HB LEU 62 2HB LEU 62 10.735 -7.761 -2.661 476 HG LEU 62 HG LEU 62 11.487 -4.838 -2.383 477 1HD1 LEU 62 1HD1 LEU 62 10.504 -5.325 -0.224 478 2HD1 LEU 62 2HD1 LEU 62 11.563 -6.746 -0.040 479 3HD1 LEU 62 3HD1 LEU 62 12.236 -5.090 -0.122 480 1HD2 LEU 62 1HD2 LEU 62 12.959 -6.444 -3.529 481 2HD2 LEU 62 2HD2 LEU 62 13.706 -5.717 -2.119 482 3HD2 LEU 62 3HD2 LEU 62 13.070 -7.396 -2.034 483 HA PRO 63 HA PRO 63 6.186 -7.007 -5.710 484 1HB PRO 63 1HB PRO 63 6.441 -7.921 -8.316 485 2HB PRO 63 2HB PRO 63 6.411 -6.196 -7.820 486 1HG PRO 63 2HG PRO 63 8.500 -6.263 -8.946 487 2HG PRO 63 1HG PRO 63 8.824 -7.930 -8.376 488 1HD PRO 63 1HD PRO 63 10.090 -6.727 -6.797 489 2HD PRO 63 2HD PRO 63 8.951 -5.350 -6.801 490 H ASN 64 H ASN 64 4.969 -8.720 -5.298 491 HA ASN 64 HA ASN 64 4.336 -10.726 -4.634 492 1HB ASN 64 2HB ASN 64 4.238 -12.255 -6.344 493 2HB ASN 64 1HB ASN 64 5.886 -11.960 -6.882 494 2HD2 ASN 64 1HD2 ASN 64 5.575 -11.583 -9.049 495 1HD2 ASN 64 2HD2 ASN 64 4.608 -10.284 -9.664 496 H SER 65 H SER 65 7.029 -9.851 -3.547 497 HA SER 65 HA SER 65 8.797 -12.068 -3.811 498 1HB SER 65 1HB SER 65 9.245 -9.548 -3.599 499 2HB SER 65 2HB SER 65 9.125 -9.773 -1.843 500 HG SER 65 HG SER 65 11.071 -10.253 -3.642 501 H ASP 66 H ASP 66 9.542 -13.495 -2.272 502 HA ASP 66 HA ASP 66 7.767 -14.212 -0.046 503 1HB ASP 66 1HB ASP 66 8.585 -15.918 -1.606 504 2HB ASP 66 2HB ASP 66 10.256 -15.507 -1.199 505 H LYS 67 H LYS 67 10.548 -12.184 -0.442 506 HA LYS 67 HA LYS 67 11.956 -12.651 1.967 507 1HB LYS 67 1HB LYS 67 11.379 -10.118 0.359 508 2HB LYS 67 2HB LYS 67 12.305 -10.089 1.858 509 1HG LYS 67 1HG LYS 67 13.805 -11.884 0.896 510 2HG LYS 67 2HG LYS 67 13.031 -11.593 -0.677 511 1HD LYS 67 1HD LYS 67 13.780 -9.271 -0.658 512 2HD LYS 67 2HD LYS 67 14.355 -9.433 1.021 513 1HE LYS 67 1HE LYS 67 15.983 -11.170 0.280 514 2HE LYS 67 2HE LYS 67 15.444 -10.940 -1.389 515 1HZ LYS 67 1HZ LYS 67 16.591 -8.777 0.248 516 2HZ LYS 67 2HZ LYS 67 17.456 -9.719 -0.807 517 3HZ LYS 67 3HZ LYS 67 16.232 -8.781 -1.386 518 H LYS 68 H LYS 68 11.689 -12.031 4.120 519 HA LYS 68 HA LYS 68 8.995 -11.722 4.974 520 1HB LYS 68 2HB LYS 68 10.876 -12.947 6.129 521 2HB LYS 68 1HB LYS 68 9.846 -11.972 7.156 522 1HG LYS 68 1HG LYS 68 12.487 -10.872 6.135 523 2HG LYS 68 2HG LYS 68 11.493 -10.291 7.483 524 1HD LYS 68 1HD LYS 68 11.835 -12.550 8.582 525 2HD LYS 68 2HD LYS 68 13.056 -12.888 7.346 526 1HE LYS 68 1HE LYS 68 14.515 -11.189 8.134 527 2HE LYS 68 2HE LYS 68 13.243 -10.439 9.123 528 1HZ LYS 68 1HZ LYS 68 14.180 -13.194 9.624 529 2HZ LYS 68 2HZ LYS 68 14.815 -11.883 10.426 530 3HZ LYS 68 3HZ LYS 68 13.225 -12.262 10.557 531 H ALA 69 H ALA 69 8.925 -10.119 7.004 532 HA ALA 69 HA ALA 69 9.705 -7.374 6.401 533 1HB ALA 69 3HB ALA 69 7.573 -7.487 5.161 534 2HB ALA 69 2HB ALA 69 7.316 -6.571 6.650 535 3HB ALA 69 1HB ALA 69 6.768 -8.253 6.554 536 H ASP 70 H ASP 70 9.225 -5.976 8.195 537 HA ASP 70 HA ASP 70 9.245 -6.860 10.866 538 1HB ASP 70 1HB ASP 70 9.245 -4.446 9.495 539 2HB ASP 70 2HB ASP 70 7.727 -4.376 10.343 540 H CYS 71 H CYS 71 6.499 -5.751 8.862 541 HA CYS 71 HA CYS 71 4.537 -7.421 10.219 542 1HB CYS 71 1HB CYS 71 4.800 -4.414 10.632 543 2HB CYS 71 2HB CYS 71 3.213 -5.196 10.699 544 H THR 72 H THR 72 2.361 -6.982 9.319 545 HA THR 72 HA THR 72 2.457 -5.965 6.556 546 HB THR 72 HB THR 72 1.285 -8.636 7.431 547 HG1 THR 72 HG1 THR 72 3.035 -9.542 6.284 548 1HG2 THR 72 1HG2 THR 72 0.233 -7.475 5.454 549 2HG2 THR 72 2HG2 THR 72 1.781 -7.481 4.655 550 3HG2 THR 72 3HG2 THR 72 1.042 -9.005 5.019 551 H ILE 73 H ILE 73 0.670 -4.636 6.238 552 HA ILE 73 HA ILE 73 -1.092 -4.285 8.516 553 HB ILE 73 HB ILE 73 -0.052 -2.535 6.882 554 1HG1 ILE 73 1HG1 ILE 73 -2.858 -2.494 8.032 555 2HG1 ILE 73 2HG1 ILE 73 -1.352 -1.941 8.706 556 1HG2 ILE 73 1HG2 ILE 73 -0.900 -3.761 4.842 557 2HG2 ILE 73 2HG2 ILE 73 -2.527 -3.270 5.243 558 3HG2 ILE 73 3HG2 ILE 73 -1.316 -2.031 4.870 559 1HD1 ILE 73 1HD1 ILE 73 -1.240 -0.181 6.935 560 2HD1 ILE 73 2HD1 ILE 73 -2.847 -0.670 6.362 561 3HD1 ILE 73 3HD1 ILE 73 -2.658 -0.005 7.992 562 H THR 74 H THR 74 -3.691 -4.228 8.228 563 HA THR 74 HA THR 74 -4.495 -6.063 5.988 564 HB THR 74 HB THR 74 -6.025 -5.220 8.439 565 HG1 THR 74 HG1 THR 74 -4.060 -7.259 8.236 566 1HG2 THR 74 1HG2 THR 74 -6.166 -7.576 6.525 567 2HG2 THR 74 2HG2 THR 74 -7.217 -7.314 7.951 568 3HG2 THR 74 3HG2 THR 74 -7.239 -6.162 6.593 569 H MET 75 H MET 75 -5.253 -5.190 4.272 570 HA MET 75 HA MET 75 -7.328 -3.393 4.566 571 1HB MET 75 1HB MET 75 -6.278 -1.911 2.550 572 2HB MET 75 2HB MET 75 -6.531 -1.402 4.209 573 1HG MET 75 1HG MET 75 -4.192 -2.023 4.750 574 2HG MET 75 2HG MET 75 -3.929 -2.392 3.064 575 1HE MET 75 1HE MET 75 -5.240 -0.096 1.445 576 2HE MET 75 2HE MET 75 -6.170 0.695 2.735 577 3HE MET 75 3HE MET 75 -4.841 1.564 1.936 578 H ALA 76 H ALA 76 -8.626 -4.125 3.199 579 HA ALA 76 HA ALA 76 -8.175 -6.340 1.452 580 1HB ALA 76 1HB ALA 76 -10.386 -5.797 2.446 581 2HB ALA 76 2HB ALA 76 -10.515 -4.367 1.398 582 3HB ALA 76 3HB ALA 76 -10.497 -5.989 0.687 583 H ASP 77 H ASP 77 -8.238 -6.511 -0.850 584 HA ASP 77 HA ASP 77 -6.855 -4.766 -2.561 585 1HB ASP 77 1HB ASP 77 -7.589 -7.140 -2.955 586 2HB ASP 77 2HB ASP 77 -9.216 -6.589 -3.151 587 H SER 78 H SER 78 -10.210 -5.149 -2.031 588 HA SER 78 HA SER 78 -11.346 -3.198 -3.777 589 1HB SER 78 1HB SER 78 -12.694 -4.943 -3.009 590 2HB SER 78 2HB SER 78 -12.268 -4.696 -1.316 591 HG SER 78 HG SER 78 -13.753 -2.759 -2.758 592 H ASP 79 H ASP 79 -9.728 -2.813 -0.707 593 HA ASP 79 HA ASP 79 -10.971 -0.132 -0.295 594 1HB ASP 79 1HB ASP 79 -11.376 -1.529 1.540 595 2HB ASP 79 2HB ASP 79 -9.713 -2.108 1.560 596 H PHE 80 H PHE 80 -7.829 -1.753 -0.846 597 HA PHE 80 HA PHE 80 -6.229 0.671 -0.855 598 1HB PHE 80 1HB PHE 80 -6.059 -1.872 -2.530 599 2HB PHE 80 2HB PHE 80 -4.953 -0.536 -2.693 600 HD1 PHE 80 HD1 PHE 80 -3.449 0.128 -0.677 601 HD2 PHE 80 HD2 PHE 80 -5.667 -3.550 -0.897 602 HE1 PHE 80 HE1 PHE 80 -1.884 -0.915 0.918 603 HE2 PHE 80 HE2 PHE 80 -4.118 -4.575 0.739 604 HZ PHE 80 HZ PHE 80 -2.206 -3.335 1.641 605 H LEU 81 H LEU 81 -7.961 -1.060 -3.532 606 HA LEU 81 HA LEU 81 -7.874 0.970 -5.442 607 1HB LEU 81 1HB LEU 81 -9.067 -1.480 -5.323 608 2HB LEU 81 2HB LEU 81 -10.492 -0.487 -5.162 609 HG LEU 81 HG LEU 81 -9.345 0.828 -7.229 610 1HD1 LEU 81 1HD1 LEU 81 -7.376 -0.692 -7.312 611 2HD1 LEU 81 2HD1 LEU 81 -8.462 -2.059 -7.677 612 3HD1 LEU 81 3HD1 LEU 81 -8.312 -0.705 -8.817 613 1HD2 LEU 81 1HD2 LEU 81 -11.062 -1.649 -7.465 614 2HD2 LEU 81 2HD2 LEU 81 -11.561 0.060 -7.394 615 3HD2 LEU 81 3HD2 LEU 81 -10.706 -0.540 -8.803 616 H ALA 82 H ALA 82 -10.111 0.666 -2.726 617 HA ALA 82 HA ALA 82 -11.850 2.785 -3.390 618 1HB ALA 82 3HB ALA 82 -12.469 2.944 -1.099 619 2HB ALA 82 1HB ALA 82 -12.397 1.247 -1.624 620 3HB ALA 82 2HB ALA 82 -11.113 1.968 -0.589 621 H LEU 83 H LEU 83 -8.761 2.903 -1.619 622 HA LEU 83 HA LEU 83 -8.904 5.744 -1.075 623 1HB LEU 83 1HB LEU 83 -6.894 3.542 -0.753 624 2HB LEU 83 2HB LEU 83 -6.241 5.166 -0.893 625 HG LEU 83 HG LEU 83 -8.471 4.559 1.079 626 1HD1 LEU 83 1HD1 LEU 83 -5.472 4.309 1.525 627 2HD1 LEU 83 2HD1 LEU 83 -6.692 4.303 2.812 628 3HD1 LEU 83 3HD1 LEU 83 -6.684 3.011 1.603 629 1HD2 LEU 83 1HD2 LEU 83 -6.319 6.722 0.939 630 2HD2 LEU 83 2HD2 LEU 83 -8.044 6.951 0.602 631 3HD2 LEU 83 3HD2 LEU 83 -7.505 6.558 2.239 632 H MET 84 H MET 84 -6.717 3.866 -3.293 633 HA MET 84 HA MET 84 -5.834 6.349 -4.415 634 1HB MET 84 1HB MET 84 -4.491 4.833 -5.909 635 2HB MET 84 2HB MET 84 -4.155 4.872 -4.198 636 1HG MET 84 1HG MET 84 -5.985 2.698 -4.962 637 2HG MET 84 2HG MET 84 -4.425 2.636 -5.748 638 1HE MET 84 1HE MET 84 -2.271 3.637 -3.968 639 2HE MET 84 2HE MET 84 -1.886 2.448 -2.708 640 3HE MET 84 3HE MET 84 -2.001 1.951 -4.390 641 H THR 85 H THR 85 -7.754 3.657 -6.054 642 HA THR 85 HA THR 85 -8.059 5.339 -8.389 643 HB THR 85 HB THR 85 -9.741 2.961 -7.529 644 HG1 THR 85 HG1 THR 85 -8.091 2.055 -9.206 645 1HG2 THR 85 1HG2 THR 85 -10.551 4.231 -9.523 646 2HG2 THR 85 2HG2 THR 85 -8.986 3.910 -10.312 647 3HG2 THR 85 3HG2 THR 85 -10.067 2.570 -9.846 648 H GLY 86 H GLY 86 -9.690 4.967 -5.291 649 1HA GLY 86 1HA GLY 86 -11.034 6.712 -4.422 650 2HA GLY 86 2HA GLY 86 -11.548 7.162 -6.027 651 H LYS 87 H LYS 87 -11.671 3.694 -5.256 652 HA LYS 87 HA LYS 87 -14.360 3.682 -6.148 653 1HB LYS 87 1HB LYS 87 -12.354 1.808 -5.873 654 2HB LYS 87 2HB LYS 87 -13.345 1.401 -4.493 655 1HG LYS 87 1HG LYS 87 -15.355 1.475 -6.230 656 2HG LYS 87 2HG LYS 87 -14.076 1.482 -7.443 657 1HD LYS 87 1HD LYS 87 -13.230 -0.694 -6.197 658 2HD LYS 87 2HD LYS 87 -14.848 -0.687 -5.475 659 1HE LYS 87 1HE LYS 87 -15.816 -0.470 -7.800 660 2HE LYS 87 2HE LYS 87 -14.183 -0.652 -8.461 661 1HZ LYS 87 1HZ LYS 87 -15.612 -2.645 -6.814 662 2HZ LYS 87 2HZ LYS 87 -15.430 -2.697 -8.446 663 3HZ LYS 87 3HZ LYS 87 -14.116 -2.872 -7.465 664 H MET 88 H MET 88 -13.339 4.625 -3.095 665 HA MET 88 HA MET 88 -14.297 5.110 -1.159 666 1HB MET 88 2HB MET 88 -16.606 5.658 -1.046 667 2HB MET 88 1HB MET 88 -17.004 4.708 -2.459 668 1HG MET 88 1HG MET 88 -15.049 7.021 -2.613 669 2HG MET 88 2HG MET 88 -15.902 6.209 -3.925 670 1HE MET 88 1HE MET 88 -16.614 8.072 -0.516 671 2HE MET 88 2HE MET 88 -15.826 9.239 -1.598 672 3HE MET 88 3HE MET 88 -17.516 9.478 -1.122 673 H ASN 89 H ASN 89 -14.034 3.800 0.566 674 HA ASN 89 HA ASN 89 -15.917 1.720 1.142 675 1HB ASN 89 1HB ASN 89 -14.089 0.574 -0.282 676 2HB ASN 89 2HB ASN 89 -12.965 0.925 1.042 677 2HD2 ASN 89 1HD2 ASN 89 -13.518 -0.128 3.217 678 1HD2 ASN 89 2HD2 ASN 89 -14.586 -1.487 3.279 679 HA PRO 90 HA PRO 90 -14.398 3.577 4.990 680 1HB PRO 90 1HB PRO 90 -15.644 2.002 6.874 681 2HB PRO 90 2HB PRO 90 -16.478 3.254 5.912 682 1HG PRO 90 1HG PRO 90 -16.351 0.282 5.427 683 2HG PRO 90 2HG PRO 90 -17.791 1.345 5.360 684 1HD PRO 90 1HD PRO 90 -16.405 0.555 3.134 685 2HD PRO 90 2HD PRO 90 -17.201 2.145 3.236 686 H GLN 91 H GLN 91 -13.407 2.577 7.143 687 HA GLN 91 HA GLN 91 -10.945 1.397 6.468 688 1HB GLN 91 1HB GLN 91 -10.744 1.014 8.976 689 2HB GLN 91 2HB GLN 91 -10.918 2.661 8.399 690 1HG GLN 91 1HG GLN 91 -13.298 1.102 9.481 691 2HG GLN 91 2HG GLN 91 -12.190 1.996 10.526 692 2HE2 GLN 91 1HE2 GLN 91 -15.196 2.362 9.439 693 1HE2 GLN 91 2HE2 GLN 91 -15.173 4.077 9.067 694 H SER 92 H SER 92 -11.179 -0.540 5.265 695 HA SER 92 HA SER 92 -13.058 -2.500 5.905 696 1HB SER 92 1HB SER 92 -11.470 -4.233 4.765 697 2HB SER 92 2HB SER 92 -12.139 -2.927 3.815 698 HG SER 92 HG SER 92 -10.132 -1.794 3.902 699 H ALA 93 H ALA 93 -9.617 -2.105 7.069 700 HA ALA 93 HA ALA 93 -9.268 -4.665 8.100 701 1HB ALA 93 2HB ALA 93 -8.057 -1.907 8.799 702 2HB ALA 93 3HB ALA 93 -7.246 -3.483 8.993 703 3HB ALA 93 1HB ALA 93 -7.616 -2.843 7.405 704 H PHE 94 H PHE 94 -10.900 -1.831 9.462 705 HA PHE 94 HA PHE 94 -11.151 -2.965 12.168 706 1HB PHE 94 1HB PHE 94 -11.079 -0.503 11.756 707 2HB PHE 94 2HB PHE 94 -12.554 -0.633 10.806 708 HD1 PHE 94 HD1 PHE 94 -14.745 -1.043 11.889 709 HD2 PHE 94 HD2 PHE 94 -11.123 -0.683 14.214 710 HE1 PHE 94 HE1 PHE 94 -16.088 -0.865 13.959 711 HE2 PHE 94 HE2 PHE 94 -12.474 -0.479 16.269 712 HZ PHE 94 HZ PHE 94 -14.958 -0.604 16.164 713 H PHE 95 H PHE 95 -13.169 -2.525 9.209 714 HA PHE 95 HA PHE 95 -15.576 -3.589 10.139 715 1HB PHE 95 1HB PHE 95 -15.840 -2.674 8.093 716 2HB PHE 95 2HB PHE 95 -14.289 -3.177 7.503 717 HD1 PHE 95 HD1 PHE 95 -13.930 -5.369 6.401 718 HD2 PHE 95 HD2 PHE 95 -17.844 -4.122 7.727 719 HE1 PHE 95 HE1 PHE 95 -14.965 -7.155 5.044 720 HE2 PHE 95 HE2 PHE 95 -18.871 -5.856 6.313 721 HZ PHE 95 HZ PHE 95 -17.442 -7.416 4.994 722 H GLN 96 H GLN 96 -12.763 -5.479 8.766 723 HA GLN 96 HA GLN 96 -14.188 -7.957 9.203 724 1HB GLN 96 1HB GLN 96 -12.133 -8.931 8.303 725 2HB GLN 96 2HB GLN 96 -12.796 -7.676 7.321 726 1HG GLN 96 1HG GLN 96 -10.946 -6.203 8.538 727 2HG GLN 96 2HG GLN 96 -10.200 -7.766 8.772 728 2HE2 GLN 96 1HE2 GLN 96 -8.823 -8.273 7.156 729 1HE2 GLN 96 2HE2 GLN 96 -8.866 -7.686 5.521 730 H GLY 97 H GLY 97 -13.113 -6.014 11.541 731 1HA GLY 97 1HA GLY 97 -12.755 -6.356 13.726 732 2HA GLY 97 2HA GLY 97 -12.813 -8.097 13.457 733 H LYS 98 H LYS 98 -10.577 -7.889 11.495 734 HA LYS 98 HA LYS 98 -8.618 -8.859 13.196 735 1HB LYS 98 1HB LYS 98 -8.395 -7.826 10.339 736 2HB LYS 98 2HB LYS 98 -7.139 -8.760 11.127 737 1HG LYS 98 1HG LYS 98 -9.790 -10.091 11.351 738 2HG LYS 98 2HG LYS 98 -9.320 -9.776 9.673 739 1HD LYS 98 1HD LYS 98 -7.188 -10.891 10.039 740 2HD LYS 98 2HD LYS 98 -7.611 -11.241 11.726 741 1HE LYS 98 1HE LYS 98 -9.296 -12.794 11.079 742 2HE LYS 98 2HE LYS 98 -9.389 -12.130 9.436 743 1HZ LYS 98 1HZ LYS 98 -7.173 -12.964 9.021 744 2HZ LYS 98 2HZ LYS 98 -7.107 -13.677 10.503 745 3HZ LYS 98 3HZ LYS 98 -8.198 -14.172 9.361 746 H LEU 99 H LEU 99 -9.103 -5.556 12.398 747 HA LEU 99 HA LEU 99 -8.127 -3.654 12.915 748 1HB LEU 99 1HB LEU 99 -7.550 -4.699 15.140 749 2HB LEU 99 2HB LEU 99 -5.960 -5.090 14.492 750 HG LEU 99 HG LEU 99 -5.374 -2.750 14.326 751 1HD1 LEU 99 1HD1 LEU 99 -8.229 -2.158 15.248 752 2HD1 LEU 99 2HD1 LEU 99 -6.914 -0.967 15.179 753 3HD1 LEU 99 3HD1 LEU 99 -7.505 -1.698 13.694 754 1HD2 LEU 99 1HD2 LEU 99 -5.052 -3.851 16.475 755 2HD2 LEU 99 2HD2 LEU 99 -5.438 -2.137 16.696 756 3HD2 LEU 99 3HD2 LEU 99 -6.678 -3.374 17.000 757 H LYS 100 H LYS 100 -5.266 -3.017 12.723 758 HA LYS 100 HA LYS 100 -4.662 -3.567 9.993 759 1HB LYS 100 2HB LYS 100 -6.438 -1.864 10.140 760 2HB LYS 100 1HB LYS 100 -5.086 -1.241 9.321 761 1HG LYS 100 1HG LYS 100 -5.754 -0.823 12.306 762 2HG LYS 100 2HG LYS 100 -4.421 -0.041 11.470 763 1HD LYS 100 1HD LYS 100 -7.297 0.387 10.588 764 2HD LYS 100 2HD LYS 100 -6.602 1.257 11.970 765 1HE LYS 100 1HE LYS 100 -4.675 1.944 10.499 766 2HE LYS 100 2HE LYS 100 -5.552 1.284 9.111 767 1HZ LYS 100 1HZ LYS 100 -6.561 3.454 10.879 768 2HZ LYS 100 2HZ LYS 100 -5.835 3.628 9.395 769 3HZ LYS 100 3HZ LYS 100 -7.284 2.875 9.510 770 H ILE 101 H ILE 101 -2.538 -3.378 9.927 771 HA ILE 101 HA ILE 101 -1.266 -3.375 12.603 772 HB ILE 101 HB ILE 101 -0.108 -4.768 10.245 773 1HG1 ILE 101 1HG1 ILE 101 -2.411 -5.548 10.035 774 2HG1 ILE 101 2HG1 ILE 101 -1.429 -6.823 10.702 775 1HG2 ILE 101 1HG2 ILE 101 1.142 -4.806 12.333 776 2HG2 ILE 101 2HG2 ILE 101 -0.266 -5.460 13.163 777 3HG2 ILE 101 3HG2 ILE 101 0.560 -6.404 11.896 778 1HD1 ILE 101 1HD1 ILE 101 -3.307 -5.110 12.387 779 2HD1 ILE 101 2HD1 ILE 101 -3.672 -6.700 11.714 780 3HD1 ILE 101 3HD1 ILE 101 -2.391 -6.524 12.911 781 H THR 102 H THR 102 1.412 -3.465 11.474 782 HA THR 102 HA THR 102 3.141 -1.941 11.445 783 HB THR 102 HB THR 102 3.028 -0.296 9.497 784 HG1 THR 102 HG1 THR 102 0.546 -0.547 9.507 785 1HG2 THR 102 1HG2 THR 102 4.020 -2.581 9.283 786 2HG2 THR 102 2HG2 THR 102 2.420 -3.225 8.863 787 3HG2 THR 102 3HG2 THR 102 3.216 -2.048 7.802 788 H GLY 103 H GLY 103 2.320 1.076 10.722 789 1HA GLY 103 1HA GLY 103 0.356 1.970 12.362 790 2HA GLY 103 2HA GLY 103 1.749 1.908 13.457 791 H ASN 104 H ASN 104 3.752 2.968 12.636 792 HA ASN 104 HA ASN 104 4.881 4.802 11.866 793 1HB ASN 104 2HB ASN 104 5.133 4.679 9.453 794 2HB ASN 104 1HB ASN 104 3.664 3.716 9.313 795 2HD2 ASN 104 1HD2 ASN 104 4.431 1.682 8.685 796 1HD2 ASN 104 2HD2 ASN 104 5.575 0.746 9.654 797 H MET 105 H MET 105 3.058 5.988 13.033 798 HA MET 105 HA MET 105 1.594 7.684 13.304 799 1HB MET 105 1HB MET 105 3.739 8.807 12.672 800 2HB MET 105 2HB MET 105 3.120 8.989 11.028 801 1HG MET 105 1HG MET 105 1.207 10.279 11.917 802 2HG MET 105 2HG MET 105 1.815 10.091 13.551 803 1HE MET 105 1HE MET 105 3.668 11.481 14.646 804 2HE MET 105 2HE MET 105 4.827 10.647 13.583 805 3HE MET 105 3HE MET 105 4.882 12.413 13.748 806 H GLY 106 H GLY 106 0.141 5.877 12.335 807 1HA GLY 106 1HA GLY 106 -1.979 5.612 11.587 808 2HA GLY 106 2HA GLY 106 -1.960 7.234 10.904 809 H LEU 107 H LEU 107 0.524 6.480 9.349 810 HA LEU 107 HA LEU 107 0.957 6.315 7.189 811 1HB LEU 107 1HB LEU 107 1.554 4.172 6.640 812 2HB LEU 107 2HB LEU 107 1.550 4.171 8.387 813 HG LEU 107 HG LEU 107 -1.099 3.426 7.520 814 1HD1 LEU 107 1HD1 LEU 107 0.383 2.766 5.400 815 2HD1 LEU 107 2HD1 LEU 107 0.825 1.388 6.425 816 3HD1 LEU 107 3HD1 LEU 107 -0.876 1.707 6.015 817 1HD2 LEU 107 1HD2 LEU 107 1.082 1.813 8.843 818 2HD2 LEU 107 2HD2 LEU 107 -0.255 2.707 9.616 819 3HD2 LEU 107 3HD2 LEU 107 -0.617 1.283 8.650 820 H ALA 108 H ALA 108 -2.003 7.013 7.501 821 HA ALA 108 HA ALA 108 -3.397 5.180 5.802 822 1HB ALA 108 3HB ALA 108 -5.341 6.500 6.234 823 2HB ALA 108 2HB ALA 108 -4.358 7.856 6.860 824 3HB ALA 108 1HB ALA 108 -4.412 6.310 7.731 825 H MET 109 H MET 109 -3.207 8.736 5.294 826 HA MET 109 HA MET 109 -2.134 8.360 2.628 827 1HB MET 109 1HB MET 109 -4.676 8.079 2.362 828 2HB MET 109 2HB MET 109 -4.821 9.784 2.796 829 1HG MET 109 1HG MET 109 -3.215 10.278 0.863 830 2HG MET 109 2HG MET 109 -3.303 8.562 0.451 831 1HE MET 109 1HE MET 109 -4.065 8.992 -2.019 832 2HE MET 109 2HE MET 109 -4.995 7.662 -1.293 833 3HE MET 109 3HE MET 109 -5.817 8.865 -2.296 834 H LYS 110 H LYS 110 -0.623 9.342 4.347 835 HA LYS 110 HA LYS 110 -1.057 12.129 5.118 836 1HB LYS 110 1HB LYS 110 0.937 9.958 5.607 837 2HB LYS 110 2HB LYS 110 1.635 11.559 5.542 838 1HG LYS 110 1HG LYS 110 -0.905 11.290 7.142 839 2HG LYS 110 2HG LYS 110 0.502 10.451 7.777 840 1HD LYS 110 1HD LYS 110 0.750 13.354 6.904 841 2HD LYS 110 2HD LYS 110 0.074 12.943 8.488 842 1HE LYS 110 1HE LYS 110 2.061 11.550 9.002 843 2HE LYS 110 2HE LYS 110 2.777 11.979 7.443 844 1HZ LYS 110 1HZ LYS 110 2.717 14.306 8.192 845 2HZ LYS 110 2HZ LYS 110 2.150 13.842 9.638 846 3HZ LYS 110 3HZ LYS 110 3.661 13.343 9.187 847 H LEU 111 H LEU 111 -0.238 10.728 2.187 848 HA LEU 111 HA LEU 111 0.012 13.298 1.039 849 1HB LEU 111 2HB LEU 111 2.402 13.032 1.433 850 2HB LEU 111 1HB LEU 111 2.021 12.930 -0.269 851 HG LEU 111 HG LEU 111 2.351 10.479 -0.246 852 1HD1 LEU 111 1HD1 LEU 111 4.532 12.274 0.802 853 2HD1 LEU 111 2HD1 LEU 111 4.845 10.592 0.281 854 3HD1 LEU 111 3HD1 LEU 111 4.214 11.778 -0.855 855 1HD2 LEU 111 1HD2 LEU 111 2.895 10.905 2.715 856 2HD2 LEU 111 2HD2 LEU 111 1.859 9.691 1.944 857 3HD2 LEU 111 3HD2 LEU 111 3.598 9.529 1.824 858 H GLN 112 H GLN 112 -1.153 13.116 -0.863 859 HA GLN 112 HA GLN 112 -2.373 10.693 -1.589 860 1HB GLN 112 1HB GLN 112 -2.070 13.417 -2.819 861 2HB GLN 112 2HB GLN 112 -2.336 12.096 -3.943 862 1HG GLN 112 1HG GLN 112 -4.450 12.770 -3.584 863 2HG GLN 112 2HG GLN 112 -4.331 11.390 -2.497 864 2HE2 GLN 112 1HE2 GLN 112 -5.857 12.009 -0.875 865 1HE2 GLN 112 2HE2 GLN 112 -5.856 13.609 -0.151 866 H ASN 113 H ASN 113 0.688 12.116 -2.729 867 HA ASN 113 HA ASN 113 1.240 10.540 -4.923 868 1HB ASN 113 1HB ASN 113 3.204 11.523 -2.803 869 2HB ASN 113 2HB ASN 113 3.706 10.753 -4.302 870 2HD2 ASN 113 1HD2 ASN 113 3.520 13.789 -3.015 871 1HD2 ASN 113 2HD2 ASN 113 3.348 14.624 -4.531 872 H LEU 114 H LEU 114 1.321 9.328 -1.593 873 HA LEU 114 HA LEU 114 2.975 7.034 -2.300 874 1HB LEU 114 1HB LEU 114 2.517 8.186 0.064 875 2HB LEU 114 2HB LEU 114 1.162 7.075 0.106 876 HG LEU 114 HG LEU 114 3.429 5.534 -0.743 877 1HD1 LEU 114 1HD1 LEU 114 4.800 7.506 0.141 878 2HD1 LEU 114 2HD1 LEU 114 4.174 7.128 1.744 879 3HD1 LEU 114 3HD1 LEU 114 5.158 5.936 0.865 880 1HD2 LEU 114 1HD2 LEU 114 1.503 4.850 0.753 881 2HD2 LEU 114 2HD2 LEU 114 3.098 4.282 1.252 882 3HD2 LEU 114 3HD2 LEU 114 2.327 5.662 2.086 883 H GLN 115 H GLN 115 -0.104 7.903 -3.150 884 HA GLN 115 HA GLN 115 -1.081 5.228 -3.693 885 1HB GLN 115 1HB GLN 115 -2.391 7.341 -1.893 886 2HB GLN 115 2HB GLN 115 -3.307 5.997 -2.578 887 1HG GLN 115 1HG GLN 115 -1.778 4.395 -1.484 888 2HG GLN 115 2HG GLN 115 -0.947 5.747 -0.689 889 2HE2 GLN 115 1HE2 GLN 115 -1.615 4.014 1.025 890 1HE2 GLN 115 2HE2 GLN 115 -3.008 4.537 1.966 891 H LEU 116 H LEU 116 -0.038 6.855 -5.601 892 HA LEU 116 HA LEU 116 -0.312 8.360 -7.303 893 1HB LEU 116 1HB LEU 116 -1.973 7.392 -8.949 894 2HB LEU 116 2HB LEU 116 -0.553 6.501 -8.491 895 HG LEU 116 HG LEU 116 -3.152 6.011 -7.113 896 1HD1 LEU 116 1HD1 LEU 116 -2.395 5.224 -9.916 897 2HD1 LEU 116 2HD1 LEU 116 -3.210 4.003 -8.960 898 3HD1 LEU 116 3HD1 LEU 116 -3.983 5.579 -9.222 899 1HD2 LEU 116 1HD2 LEU 116 -0.683 4.852 -6.636 900 2HD2 LEU 116 2HD2 LEU 116 -2.252 4.135 -6.233 901 3HD2 LEU 116 3HD2 LEU 116 -1.430 3.676 -7.710 902 H GLN 117 H GLN 117 -2.366 9.292 -8.848 903 HA GLN 117 HA GLN 117 -3.275 11.389 -6.938 904 1HB GLN 117 1HB GLN 117 -2.484 11.495 -9.733 905 2HB GLN 117 2HB GLN 117 -4.111 12.148 -9.489 906 1HG GLN 117 2HG GLN 117 -2.484 13.917 -9.268 907 2HG GLN 117 1HG GLN 117 -1.607 13.031 -8.064 908 2HE2 GLN 117 1HE2 GLN 117 -2.030 13.463 -5.967 909 1HE2 GLN 117 2HE2 GLN 117 -3.379 14.433 -5.389 910 HA PRO 118 HA PRO 118 -7.393 9.466 -7.362 911 1HB PRO 118 1HB PRO 118 -8.590 10.681 -5.245 912 2HB PRO 118 2HB PRO 118 -7.411 9.355 -5.024 913 1HG PRO 118 2HG PRO 118 -6.436 11.064 -3.697 914 2HG PRO 118 1HG PRO 118 -6.962 12.347 -4.833 915 1HD PRO 118 1HD PRO 118 -4.840 12.128 -5.706 916 2HD PRO 118 2HD PRO 118 -4.644 10.455 -5.090 917 H GLY 119 H GLY 119 -9.610 10.615 -7.336 918 1HA GLY 119 1HA GLY 119 -10.966 12.576 -7.688 919 2HA GLY 119 2HA GLY 119 -9.571 13.397 -8.396 920 H ASN 120 H ASN 120 -11.765 10.595 -8.920 921 HA ASN 120 HA ASN 120 -11.764 11.085 -11.828 922 1HB ASN 120 1HB ASN 120 -9.887 9.429 -10.993 923 2HB ASN 120 2HB ASN 120 -11.212 8.298 -10.747 924 2HD2 ASN 120 1HD2 ASN 120 -12.566 7.750 -12.810 925 1HD2 ASN 120 2HD2 ASN 120 -11.679 7.896 -14.333 926 H ALA 121 H ALA 121 -13.849 10.285 -12.742 927 HA ALA 121 HA ALA 121 -15.495 8.592 -11.007 928 1HB ALA 121 1HB ALA 121 -16.333 11.452 -11.612 929 2HB ALA 121 3HB ALA 121 -16.137 10.673 -10.022 930 3HB ALA 121 2HB ALA 121 -17.450 10.170 -11.086 931 H LYS 122 H LYS 122 -15.531 7.102 -12.592 932 HA LYS 122 HA LYS 122 -16.186 6.005 -14.477 933 1HB LYS 122 1HB LYS 122 -18.546 6.063 -14.946 934 2HB LYS 122 2HB LYS 122 -18.210 6.045 -13.231 935 1HG LYS 122 1HG LYS 122 -18.826 8.408 -13.012 936 2HG LYS 122 2HG LYS 122 -18.980 8.562 -14.765 937 1HD LYS 122 2HD LYS 122 -20.815 6.854 -14.714 938 2HD LYS 122 1HD LYS 122 -21.190 8.361 -13.876 939 1HE LYS 122 1HE LYS 122 -20.176 5.880 -12.443 940 2HE LYS 122 2HE LYS 122 -20.811 7.359 -11.706 941 1HZ LYS 122 1HZ LYS 122 -22.414 5.534 -13.423 942 2HZ LYS 122 2HZ LYS 122 -22.472 5.564 -11.780 943 3HZ LYS 122 3HZ LYS 122 -22.953 6.859 -12.629 944 H LEU 123 H LEU 123 -18.050 7.079 -16.600 945 HA LEU 123 HA LEU 123 -16.687 9.469 -17.478 946 1HB LEU 123 1HB LEU 123 -17.315 9.038 -19.829 947 2HB LEU 123 2HB LEU 123 -15.868 8.239 -19.253 948 HG LEU 123 HG LEU 123 -18.417 6.646 -19.113 949 1HD1 LEU 123 1HD1 LEU 123 -16.964 7.218 -21.728 950 2HD1 LEU 123 2HD1 LEU 123 -18.257 5.999 -21.474 951 3HD1 LEU 123 3HD1 LEU 123 -18.608 7.713 -21.307 952 1HD2 LEU 123 1HD2 LEU 123 -16.228 5.767 -18.348 953 2HD2 LEU 123 2HD2 LEU 123 -16.879 4.816 -19.677 954 3HD2 LEU 123 3HD2 LEU 123 -15.548 5.996 -19.944 No H/Q in entry = 954 Start of MODEL 9 1 H SER 1 H SER 1 -3.925 -20.860 -9.701 2 HA SER 1 HA SER 1 -2.650 -20.837 -7.197 3 1HB SER 1 1HB SER 1 -2.157 -23.268 -7.855 4 2HB SER 1 2HB SER 1 -3.836 -22.750 -7.699 5 HG SER 1 HG SER 1 -4.158 -23.006 -9.827 6 H SER 2 H SER 2 -0.818 -20.001 -6.774 7 HA SER 2 HA SER 2 1.342 -19.759 -6.443 8 1HB SER 2 2HB SER 2 1.780 -22.038 -7.355 9 2HB SER 2 1HB SER 2 3.103 -20.881 -7.517 10 HG SER 2 HG SER 2 1.234 -21.469 -9.567 11 H ALA 3 H ALA 3 3.051 -18.393 -7.118 12 HA ALA 3 HA ALA 3 3.722 -16.344 -7.611 13 1HB ALA 3 1HB ALA 3 4.385 -17.469 -9.697 14 2HB ALA 3 3HB ALA 3 3.979 -15.758 -9.966 15 3HB ALA 3 2HB ALA 3 2.834 -17.030 -10.438 16 H SER 4 H SER 4 2.433 -14.979 -6.386 17 HA SER 4 HA SER 4 -0.243 -14.466 -6.792 18 1HB SER 4 1HB SER 4 1.308 -12.558 -5.162 19 2HB SER 4 2HB SER 4 -0.088 -13.539 -4.763 20 HG SER 4 HG SER 4 2.270 -13.873 -3.937 21 H ASP 5 H ASP 5 0.492 -11.330 -6.276 22 HA ASP 5 HA ASP 5 0.514 -9.428 -7.575 23 1HB ASP 5 1HB ASP 5 2.631 -11.204 -8.449 24 2HB ASP 5 2HB ASP 5 2.049 -10.404 -9.860 25 H GLY 6 H GLY 6 -1.672 -11.352 -8.273 26 1HA GLY 6 1HA GLY 6 -2.077 -10.921 -11.206 27 2HA GLY 6 2HA GLY 6 -2.535 -12.369 -10.304 28 H PHE 7 H PHE 7 -3.073 -8.880 -10.352 29 HA PHE 7 HA PHE 7 -5.976 -9.076 -9.804 30 1HB PHE 7 2HB PHE 7 -5.685 -7.555 -7.850 31 2HB PHE 7 1HB PHE 7 -3.949 -7.566 -8.081 32 HD1 PHE 7 HD1 PHE 7 -2.600 -9.470 -7.382 33 HD2 PHE 7 HD2 PHE 7 -6.817 -9.410 -6.755 34 HE1 PHE 7 HE1 PHE 7 -2.471 -11.739 -6.303 35 HE2 PHE 7 HE2 PHE 7 -6.695 -11.631 -5.605 36 HZ PHE 7 HZ PHE 7 -4.515 -12.809 -5.487 37 H LYS 8 H LYS 8 -6.945 -6.819 -10.087 38 HA LYS 8 HA LYS 8 -5.719 -5.235 -12.180 39 1HB LYS 8 1HB LYS 8 -8.083 -5.150 -12.060 40 2HB LYS 8 2HB LYS 8 -8.095 -4.852 -10.329 41 1HG LYS 8 1HG LYS 8 -7.111 -2.582 -10.707 42 2HG LYS 8 2HG LYS 8 -7.210 -2.880 -12.456 43 1HD LYS 8 1HD LYS 8 -9.683 -3.200 -12.192 44 2HD LYS 8 2HD LYS 8 -9.535 -2.841 -10.459 45 1HE LYS 8 1HE LYS 8 -8.648 -0.604 -10.950 46 2HE LYS 8 2HE LYS 8 -8.610 -0.955 -12.680 47 1HZ LYS 8 1HZ LYS 8 -11.100 -0.810 -11.089 48 2HZ LYS 8 2HZ LYS 8 -10.496 0.359 -12.087 49 3HZ LYS 8 3HZ LYS 8 -10.964 -1.064 -12.721 50 H ALA 9 H ALA 9 -5.870 -5.233 -8.683 51 HA ALA 9 HA ALA 9 -4.592 -2.909 -7.935 52 1HB ALA 9 3HB ALA 9 -3.979 -4.184 -5.908 53 2HB ALA 9 2HB ALA 9 -4.325 -5.699 -6.768 54 3HB ALA 9 1HB ALA 9 -5.636 -4.577 -6.433 55 H ASN 10 H ASN 10 -3.051 -5.341 -9.912 56 HA ASN 10 HA ASN 10 -0.447 -5.266 -8.835 57 1HB ASN 10 1HB ASN 10 -1.210 -6.789 -10.710 58 2HB ASN 10 2HB ASN 10 -1.110 -5.401 -11.807 59 2HD2 ASN 10 1HD2 ASN 10 0.671 -7.916 -10.263 60 1HD2 ASN 10 2HD2 ASN 10 2.278 -7.304 -10.475 61 H LEU 11 H LEU 11 -1.897 -3.083 -11.340 62 HA LEU 11 HA LEU 11 0.452 -1.457 -11.438 63 1HB LEU 11 1HB LEU 11 -0.438 -0.650 -13.170 64 2HB LEU 11 2HB LEU 11 -1.679 -1.845 -13.048 65 HG LEU 11 HG LEU 11 -2.546 0.221 -13.659 66 1HD1 LEU 11 1HD1 LEU 11 -3.974 -1.158 -12.192 67 2HD1 LEU 11 2HD1 LEU 11 -3.530 -0.101 -10.834 68 3HD1 LEU 11 3HD1 LEU 11 -4.378 0.572 -12.222 69 1HD2 LEU 11 1HD2 LEU 11 -0.673 1.559 -12.470 70 2HD2 LEU 11 2HD2 LEU 11 -2.276 2.302 -12.641 71 3HD2 LEU 11 3HD2 LEU 11 -1.774 1.616 -11.092 72 H VAL 12 H VAL 12 -2.360 -1.402 -9.325 73 HA VAL 12 HA VAL 12 -1.949 1.191 -8.223 74 HB VAL 12 HB VAL 12 -3.151 -1.296 -6.921 75 1HG1 VAL 12 1HG1 VAL 12 -3.160 1.581 -6.024 76 2HG1 VAL 12 2HG1 VAL 12 -4.263 0.338 -5.383 77 3HG1 VAL 12 3HG1 VAL 12 -2.527 0.176 -5.143 78 1HG2 VAL 12 1HG2 VAL 12 -4.372 1.078 -8.369 79 2HG2 VAL 12 2HG2 VAL 12 -4.470 -0.635 -8.842 80 3HG2 VAL 12 3HG2 VAL 12 -5.298 -0.074 -7.390 81 H PHE 13 H PHE 13 -0.715 -2.000 -7.011 82 HA PHE 13 HA PHE 13 0.940 -0.691 -5.019 83 1HB PHE 13 1HB PHE 13 0.988 -3.487 -6.160 84 2HB PHE 13 2HB PHE 13 2.011 -2.923 -4.843 85 HD1 PHE 13 HD1 PHE 13 0.838 -1.899 -2.745 86 HD2 PHE 13 HD2 PHE 13 -1.060 -4.507 -5.591 87 HE1 PHE 13 HE1 PHE 13 -0.951 -2.444 -1.083 88 HE2 PHE 13 HE2 PHE 13 -2.834 -5.056 -3.874 89 HZ PHE 13 HZ PHE 13 -2.798 -3.931 -1.687 90 H LYS 14 H LYS 14 1.370 -1.374 -8.452 91 HA LYS 14 HA LYS 14 4.231 -1.096 -8.398 92 1HB LYS 14 1HB LYS 14 2.725 -1.951 -10.264 93 2HB LYS 14 2HB LYS 14 2.468 -0.286 -10.735 94 1HG LYS 14 1HG LYS 14 4.744 0.128 -11.241 95 2HG LYS 14 2HG LYS 14 5.343 -1.252 -10.366 96 1HD LYS 14 1HD LYS 14 3.457 -1.733 -12.703 97 2HD LYS 14 2HD LYS 14 5.132 -1.283 -13.016 98 1HE LYS 14 2HE LYS 14 5.977 -3.198 -11.808 99 2HE LYS 14 1HE LYS 14 4.896 -3.698 -13.098 100 1HZ LYS 14 1HZ LYS 14 3.175 -4.111 -11.401 101 2HZ LYS 14 2HZ LYS 14 4.540 -4.964 -11.131 102 3HZ LYS 14 3HZ LYS 14 4.253 -3.664 -10.208 103 H GLU 15 H GLU 15 1.589 1.302 -8.898 104 HA GLU 15 HA GLU 15 3.385 3.454 -9.300 105 1HB GLU 15 1HB GLU 15 0.739 3.670 -7.847 106 2HB GLU 15 2HB GLU 15 1.644 5.005 -8.573 107 1HG GLU 15 1HG GLU 15 0.361 2.687 -10.026 108 2HG GLU 15 2HG GLU 15 -0.225 4.293 -9.927 109 H ILE 16 H ILE 16 2.238 2.156 -6.099 110 HA ILE 16 HA ILE 16 3.590 3.960 -4.442 111 HB ILE 16 HB ILE 16 3.000 0.978 -4.232 112 1HG1 ILE 16 1HG1 ILE 16 1.613 3.165 -2.701 113 2HG1 ILE 16 2HG1 ILE 16 0.998 2.751 -4.278 114 1HG2 ILE 16 1HG2 ILE 16 4.047 2.898 -2.132 115 2HG2 ILE 16 2HG2 ILE 16 3.386 1.291 -1.762 116 3HG2 ILE 16 3HG2 ILE 16 4.841 1.429 -2.745 117 1HD1 ILE 16 1HD1 ILE 16 1.347 0.469 -2.380 118 2HD1 ILE 16 2HD1 ILE 16 0.011 1.604 -2.135 119 3HD1 ILE 16 3HD1 ILE 16 0.161 0.739 -3.668 120 H GLU 17 H GLU 17 4.786 1.013 -6.099 121 HA GLU 17 HA GLU 17 7.502 1.327 -5.213 122 1HB GLU 17 1HB GLU 17 6.463 -0.798 -6.094 123 2HB GLU 17 2HB GLU 17 6.348 -0.067 -7.638 124 1HG GLU 17 1HG GLU 17 8.924 0.261 -7.567 125 2HG GLU 17 2HG GLU 17 8.892 -0.908 -6.248 126 H LYS 18 H LYS 18 5.782 2.489 -8.102 127 HA LYS 18 HA LYS 18 8.066 3.216 -9.502 128 1HB LYS 18 1HB LYS 18 5.481 3.134 -10.203 129 2HB LYS 18 2HB LYS 18 5.615 4.881 -9.994 130 1HG LYS 18 1HG LYS 18 7.377 3.085 -11.739 131 2HG LYS 18 2HG LYS 18 6.054 4.079 -12.316 132 1HD LYS 18 1HD LYS 18 7.268 6.134 -11.666 133 2HD LYS 18 2HD LYS 18 8.622 5.134 -11.061 134 1HE LYS 18 1HE LYS 18 8.978 4.151 -13.246 135 2HE LYS 18 2HE LYS 18 7.606 5.048 -13.917 136 1HZ LYS 18 1HZ LYS 18 10.043 6.354 -12.820 137 2HZ LYS 18 2HZ LYS 18 9.738 6.040 -14.392 138 3HZ LYS 18 3HZ LYS 18 8.764 7.070 -13.594 139 H LYS 19 H LYS 19 5.942 5.053 -7.241 140 HA LYS 19 HA LYS 19 7.360 7.511 -7.353 141 1HB LYS 19 1HB LYS 19 5.040 6.810 -6.195 142 2HB LYS 19 2HB LYS 19 6.067 6.541 -4.793 143 1HG LYS 19 2HG LYS 19 6.904 8.947 -5.104 144 2HG LYS 19 1HG LYS 19 5.230 8.767 -4.598 145 1HD LYS 19 1HD LYS 19 5.967 9.091 -7.546 146 2HD LYS 19 2HD LYS 19 4.387 9.136 -6.790 147 1HE LYS 19 2HE LYS 19 5.448 11.160 -5.413 148 2HE LYS 19 1HE LYS 19 4.712 11.369 -7.022 149 1HZ LYS 19 1HZ LYS 19 7.596 11.065 -6.558 150 2HZ LYS 19 2HZ LYS 19 6.837 11.321 -8.004 151 3HZ LYS 19 3HZ LYS 19 6.805 12.482 -6.854 152 H LEU 20 H LEU 20 7.994 4.516 -5.480 153 HA LEU 20 HA LEU 20 10.143 5.652 -3.994 154 1HB LEU 20 1HB LEU 20 8.714 3.110 -4.228 155 2HB LEU 20 2HB LEU 20 10.431 2.842 -4.146 156 HG LEU 20 HG LEU 20 9.635 4.918 -2.194 157 1HD1 LEU 20 1HD1 LEU 20 7.490 3.779 -2.367 158 2HD1 LEU 20 2HD1 LEU 20 8.253 2.264 -1.879 159 3HD1 LEU 20 3HD1 LEU 20 8.227 3.661 -0.763 160 1HD2 LEU 20 1HD2 LEU 20 11.725 3.515 -2.240 161 2HD2 LEU 20 2HD2 LEU 20 10.906 3.622 -0.687 162 3HD2 LEU 20 3HD2 LEU 20 10.721 2.151 -1.672 163 H GLU 21 H GLU 21 10.028 3.947 -7.139 164 HA GLU 21 HA GLU 21 12.839 4.074 -7.644 165 1HB GLU 21 1HB GLU 21 10.666 4.653 -9.700 166 2HB GLU 21 2HB GLU 21 12.319 4.216 -10.025 167 1HG GLU 21 1HG GLU 21 10.371 2.355 -8.604 168 2HG GLU 21 2HG GLU 21 10.527 2.433 -10.338 169 H GLU 22 H GLU 22 10.271 6.505 -8.245 170 HA GLU 22 HA GLU 22 11.918 8.253 -9.681 171 1HB GLU 22 1HB GLU 22 9.365 8.869 -8.130 172 2HB GLU 22 2HB GLU 22 10.155 9.958 -9.267 173 1HG GLU 22 1HG GLU 22 9.769 7.479 -10.662 174 2HG GLU 22 2HG GLU 22 8.268 7.817 -9.777 175 H GLU 23 H GLU 23 11.126 8.234 -6.186 176 HA GLU 23 HA GLU 23 13.569 9.406 -5.499 177 1HB GLU 23 1HB GLU 23 12.218 11.458 -6.340 178 2HB GLU 23 2HB GLU 23 11.166 11.205 -4.950 179 1HG GLU 23 1HG GLU 23 13.235 11.183 -3.509 180 2HG GLU 23 2HG GLU 23 14.152 11.591 -4.971 181 H GLY 24 H GLY 24 12.970 7.086 -4.627 182 1HA GLY 24 1HA GLY 24 11.113 6.895 -2.429 183 2HA GLY 24 2HA GLY 24 12.311 5.699 -2.932 184 H GLU 25 H GLU 25 14.431 7.895 -2.776 185 HA GLU 25 HA GLU 25 15.558 6.978 -0.526 186 1HB GLU 25 2HB GLU 25 16.723 8.232 -2.291 187 2HB GLU 25 1HB GLU 25 17.189 8.755 -0.661 188 1HG GLU 25 1HG GLU 25 15.676 10.237 -2.820 189 2HG GLU 25 2HG GLU 25 15.517 10.735 -1.134 190 H GLN 26 H GLN 26 13.371 9.796 -0.644 191 HA GLN 26 HA GLN 26 13.765 10.582 2.111 192 1HB GLN 26 1HB GLN 26 13.252 12.171 0.247 193 2HB GLN 26 2HB GLN 26 11.667 11.394 0.034 194 1HG GLN 26 1HG GLN 26 11.080 11.921 2.357 195 2HG GLN 26 2HG GLN 26 12.671 12.627 2.628 196 2HE2 GLN 26 1HE2 GLN 26 13.168 14.403 0.724 197 1HE2 GLN 26 2HE2 GLN 26 11.900 15.583 0.539 198 H PHE 27 H PHE 27 11.359 8.682 0.122 199 HA PHE 27 HA PHE 27 9.453 8.429 2.138 200 1HB PHE 27 1HB PHE 27 10.137 7.236 -0.525 201 2HB PHE 27 2HB PHE 27 9.263 6.162 0.542 202 HD1 PHE 27 HD1 PHE 27 7.241 7.385 1.910 203 HD2 PHE 27 HD2 PHE 27 8.833 8.642 -1.907 204 HE1 PHE 27 HE1 PHE 27 5.236 8.763 1.515 205 HE2 PHE 27 HE2 PHE 27 6.804 10.020 -2.290 206 HZ PHE 27 HZ PHE 27 5.032 10.125 -0.577 207 H VAL 28 H VAL 28 12.532 6.606 1.523 208 HA VAL 28 HA VAL 28 12.121 4.584 3.488 209 HB VAL 28 HB VAL 28 14.575 6.081 2.494 210 1HG1 VAL 28 1HG1 VAL 28 14.430 3.836 4.534 211 2HG1 VAL 28 2HG1 VAL 28 15.895 4.178 3.589 212 3HG1 VAL 28 3HG1 VAL 28 15.245 5.386 4.697 213 1HG2 VAL 28 1HG2 VAL 28 13.466 4.514 0.922 214 2HG2 VAL 28 2HG2 VAL 28 15.097 3.989 1.434 215 3HG2 VAL 28 3HG2 VAL 28 13.685 3.200 2.110 216 H LYS 29 H LYS 29 13.325 7.979 3.904 217 HA LYS 29 HA LYS 29 13.652 7.624 6.780 218 1HB LYS 29 1HB LYS 29 13.691 10.063 4.979 219 2HB LYS 29 2HB LYS 29 13.930 10.134 6.719 220 1HG LYS 29 2HG LYS 29 16.055 10.186 5.553 221 2HG LYS 29 1HG LYS 29 15.728 8.669 4.738 222 1HD LYS 29 2HD LYS 29 15.645 8.671 7.751 223 2HD LYS 29 1HD LYS 29 17.220 8.890 7.007 224 1HE LYS 29 1HE LYS 29 15.358 6.612 6.286 225 2HE LYS 29 2HE LYS 29 17.049 6.806 5.793 226 1HZ LYS 29 1HZ LYS 29 16.070 6.400 8.561 227 2HZ LYS 29 2HZ LYS 29 16.756 5.251 7.646 228 3HZ LYS 29 3HZ LYS 29 17.661 6.520 8.146 229 H LYS 30 H LYS 30 10.868 8.352 4.791 230 HA LYS 30 HA LYS 30 9.425 9.535 7.009 231 1HB LYS 30 1HB LYS 30 8.483 8.430 4.329 232 2HB LYS 30 2HB LYS 30 7.385 9.039 5.578 233 1HG LYS 30 1HG LYS 30 8.735 11.157 5.652 234 2HG LYS 30 2HG LYS 30 9.670 10.572 4.268 235 1HD LYS 30 1HD LYS 30 7.447 10.463 2.999 236 2HD LYS 30 2HD LYS 30 6.736 11.353 4.351 237 1HE LYS 30 1HE LYS 30 9.015 12.221 2.538 238 2HE LYS 30 2HE LYS 30 7.406 12.917 2.574 239 1HZ LYS 30 1HZ LYS 30 9.383 13.081 4.791 240 2HZ LYS 30 2HZ LYS 30 9.095 14.251 3.703 241 3HZ LYS 30 3HZ LYS 30 7.918 13.809 4.777 242 H ILE 31 H ILE 31 8.967 6.270 5.479 243 HA ILE 31 HA ILE 31 7.331 5.427 7.744 244 HB ILE 31 HB ILE 31 8.483 4.077 5.333 245 1HG1 ILE 31 2HG1 ILE 31 5.808 5.281 6.043 246 2HG1 ILE 31 1HG1 ILE 31 5.809 3.836 5.014 247 1HG2 ILE 31 1HG2 ILE 31 6.700 2.926 7.499 248 2HG2 ILE 31 2HG2 ILE 31 6.966 2.188 5.878 249 3HG2 ILE 31 3HG2 ILE 31 8.308 2.321 6.913 250 1HD1 ILE 31 1HD1 ILE 31 7.394 4.903 3.474 251 2HD1 ILE 31 2HD1 ILE 31 5.796 5.702 3.590 252 3HD1 ILE 31 3HD1 ILE 31 7.198 6.414 4.386 253 H GLY 32 H GLY 32 10.619 4.419 6.469 254 1HA GLY 32 1HA GLY 32 12.377 3.460 7.477 255 2HA GLY 32 2HA GLY 32 11.832 4.230 8.988 256 H GLY 33 H GLY 33 10.818 1.493 6.760 257 1HA GLY 33 1HA GLY 33 11.633 -0.497 8.565 258 2HA GLY 33 2HA GLY 33 9.893 -0.250 8.816 259 H ILE 34 H ILE 34 11.075 -2.676 7.630 260 HA ILE 34 HA ILE 34 9.987 -2.501 4.883 261 HB ILE 34 HB ILE 34 10.788 -4.966 6.499 262 1HG1 ILE 34 2HG1 ILE 34 12.077 -3.437 4.215 263 2HG1 ILE 34 1HG1 ILE 34 12.360 -5.149 4.353 264 1HG2 ILE 34 1HG2 ILE 34 9.723 -4.610 3.662 265 2HG2 ILE 34 2HG2 ILE 34 10.358 -6.129 4.310 266 3HG2 ILE 34 3HG2 ILE 34 8.888 -5.440 4.989 267 1HD1 ILE 34 1HD1 ILE 34 13.098 -3.092 6.478 268 2HD1 ILE 34 2HD1 ILE 34 13.352 -4.853 6.589 269 3HD1 ILE 34 3HD1 ILE 34 14.181 -3.896 5.349 270 H PHE 35 H PHE 35 7.777 -2.888 4.505 271 HA PHE 35 HA PHE 35 6.337 -4.276 6.642 272 1HB PHE 35 2HB PHE 35 5.683 -1.966 7.011 273 2HB PHE 35 1HB PHE 35 4.351 -2.976 6.524 274 HD1 PHE 35 HD1 PHE 35 6.609 -0.213 5.471 275 HD2 PHE 35 HD2 PHE 35 3.222 -2.660 4.393 276 HE1 PHE 35 HE1 PHE 35 5.928 1.435 3.714 277 HE2 PHE 35 HE2 PHE 35 2.602 -1.051 2.653 278 HZ PHE 35 HZ PHE 35 3.938 1.024 2.321 279 H ALA 36 H ALA 36 4.266 -5.196 5.737 280 HA ALA 36 HA ALA 36 4.436 -5.723 2.800 281 1HB ALA 36 2HB ALA 36 3.441 -7.972 3.395 282 2HB ALA 36 3HB ALA 36 5.093 -7.731 3.957 283 3HB ALA 36 1HB ALA 36 3.749 -7.608 5.102 284 H PHE 37 H PHE 37 2.407 -6.082 1.778 285 HA PHE 37 HA PHE 37 0.053 -4.740 3.053 286 1HB PHE 37 1HB PHE 37 0.781 -5.265 0.153 287 2HB PHE 37 2HB PHE 37 -0.755 -4.622 0.686 288 HD1 PHE 37 HD1 PHE 37 -0.650 -2.377 2.111 289 HD2 PHE 37 HD2 PHE 37 2.440 -3.755 -0.543 290 HE1 PHE 37 HE1 PHE 37 -0.038 -0.036 1.609 291 HE2 PHE 37 HE2 PHE 37 3.023 -1.439 -1.075 292 HZ PHE 37 HZ PHE 37 1.792 0.457 0.007 293 H LYS 38 H LYS 38 -1.418 -6.372 3.917 294 HA LYS 38 HA LYS 38 -1.547 -8.886 2.396 295 1HB LYS 38 1HB LYS 38 -2.065 -8.089 5.145 296 2HB LYS 38 2HB LYS 38 -3.591 -8.623 4.509 297 1HG LYS 38 2HG LYS 38 -2.500 -10.756 3.791 298 2HG LYS 38 1HG LYS 38 -2.583 -10.496 5.528 299 1HD LYS 38 1HD LYS 38 -0.001 -9.852 4.050 300 2HD LYS 38 2HD LYS 38 -0.303 -10.195 5.774 301 1HE LYS 38 2HE LYS 38 -1.274 -12.481 4.824 302 2HE LYS 38 1HE LYS 38 0.447 -12.280 5.189 303 1HZ LYS 38 1HZ LYS 38 -0.531 -11.708 2.475 304 2HZ LYS 38 2HZ LYS 38 0.972 -12.151 2.997 305 3HZ LYS 38 3HZ LYS 38 -0.230 -13.251 2.966 306 H VAL 39 H VAL 39 -2.801 -9.195 0.744 307 HA VAL 39 HA VAL 39 -5.267 -7.588 0.507 308 HB VAL 39 HB VAL 39 -3.550 -8.489 -1.857 309 1HG1 VAL 39 1HG1 VAL 39 -5.849 -7.710 -2.240 310 2HG1 VAL 39 2HG1 VAL 39 -5.443 -6.150 -1.489 311 3HG1 VAL 39 3HG1 VAL 39 -4.648 -6.649 -2.997 312 1HG2 VAL 39 1HG2 VAL 39 -3.062 -5.882 -0.401 313 2HG2 VAL 39 2HG2 VAL 39 -1.933 -7.255 -0.547 314 3HG2 VAL 39 3HG2 VAL 39 -2.406 -6.393 -1.977 315 H LYS 40 H LYS 40 -6.835 -9.291 0.957 316 HA LYS 40 HA LYS 40 -6.691 -11.619 -0.910 317 1HB LYS 40 1HB LYS 40 -8.361 -12.719 0.688 318 2HB LYS 40 2HB LYS 40 -6.670 -12.656 1.091 319 1HG LYS 40 1HG LYS 40 -7.034 -10.897 2.776 320 2HG LYS 40 2HG LYS 40 -8.762 -10.912 2.364 321 1HD LYS 40 1HD LYS 40 -8.476 -13.555 2.802 322 2HD LYS 40 2HD LYS 40 -7.091 -13.011 3.762 323 1HE LYS 40 1HE LYS 40 -8.704 -11.516 5.047 324 2HE LYS 40 2HE LYS 40 -10.021 -12.218 4.088 325 1HZ LYS 40 1HZ LYS 40 -9.082 -14.435 4.957 326 2HZ LYS 40 2HZ LYS 40 -8.347 -13.538 6.106 327 3HZ LYS 40 3HZ LYS 40 -9.977 -13.536 5.986 328 H ASP 41 H ASP 41 -9.254 -12.306 -0.931 329 HA ASP 41 HA ASP 41 -11.177 -11.952 -2.014 330 1HB ASP 41 1HB ASP 41 -11.412 -10.808 0.325 331 2HB ASP 41 2HB ASP 41 -11.460 -9.309 -0.581 332 H GLY 42 H GLY 42 -9.010 -11.291 -3.516 333 1HA GLY 42 1HA GLY 42 -9.368 -8.881 -5.065 334 2HA GLY 42 2HA GLY 42 -8.447 -10.304 -5.530 335 HA PRO 43 HA PRO 43 -12.480 -9.641 -7.847 336 1HB PRO 43 1HB PRO 43 -11.365 -9.583 -10.448 337 2HB PRO 43 2HB PRO 43 -11.926 -8.205 -9.467 338 1HG PRO 43 1HG PRO 43 -9.135 -9.157 -9.951 339 2HG PRO 43 2HG PRO 43 -9.706 -7.513 -9.567 340 1HD PRO 43 1HD PRO 43 -8.501 -9.255 -7.790 341 2HD PRO 43 2HD PRO 43 -9.565 -7.914 -7.292 342 H GLY 44 H GLY 44 -10.077 -12.050 -7.832 343 1HA GLY 44 1HA GLY 44 -11.976 -14.042 -8.984 344 2HA GLY 44 2HA GLY 44 -10.241 -14.219 -9.024 345 H GLY 45 H GLY 45 -11.055 -12.891 -5.965 346 1HA GLY 45 1HA GLY 45 -11.741 -13.790 -3.934 347 2HA GLY 45 2HA GLY 45 -11.863 -15.397 -4.662 348 H LYS 46 H LYS 46 -9.063 -14.048 -5.578 349 HA LYS 46 HA LYS 46 -7.386 -15.920 -4.119 350 1HB LYS 46 1HB LYS 46 -7.113 -14.014 -6.448 351 2HB LYS 46 2HB LYS 46 -5.784 -15.089 -5.961 352 1HG LYS 46 1HG LYS 46 -6.850 -17.018 -6.684 353 2HG LYS 46 2HG LYS 46 -8.455 -16.417 -6.368 354 1HD LYS 46 1HD LYS 46 -8.220 -14.918 -8.429 355 2HD LYS 46 2HD LYS 46 -6.770 -15.858 -8.821 356 1HE LYS 46 1HE LYS 46 -8.190 -17.962 -8.496 357 2HE LYS 46 2HE LYS 46 -9.607 -16.922 -8.372 358 1HZ LYS 46 1HZ LYS 46 -9.079 -16.145 -10.675 359 2HZ LYS 46 2HZ LYS 46 -7.891 -17.276 -10.738 360 3HZ LYS 46 3HZ LYS 46 -9.465 -17.715 -10.544 361 H GLU 47 H GLU 47 -4.952 -14.662 -4.103 362 HA GLU 47 HA GLU 47 -5.215 -12.180 -2.587 363 1HB GLU 47 2HB GLU 47 -5.508 -13.745 -0.800 364 2HB GLU 47 1HB GLU 47 -3.958 -12.942 -0.627 365 1HG GLU 47 1HG GLU 47 -4.409 -15.794 -1.615 366 2HG GLU 47 2HG GLU 47 -2.834 -14.978 -1.592 367 H ALA 48 H ALA 48 -3.381 -11.037 -2.275 368 HA ALA 48 HA ALA 48 -0.826 -11.543 -3.778 369 1HB ALA 48 1HB ALA 48 -2.897 -9.460 -4.188 370 2HB ALA 48 2HB ALA 48 -1.300 -8.807 -3.811 371 3HB ALA 48 3HB ALA 48 -1.470 -9.926 -5.163 372 H THR 49 H THR 49 0.891 -10.169 -2.783 373 HA THR 49 HA THR 49 0.230 -8.379 -0.670 374 HB THR 49 HB THR 49 1.786 -10.944 -0.060 375 HG1 THR 49 HG1 THR 49 0.028 -9.226 1.284 376 1HG2 THR 49 1HG2 THR 49 2.315 -8.273 1.329 377 2HG2 THR 49 2HG2 THR 49 2.732 -9.863 2.001 378 3HG2 THR 49 3HG2 THR 49 3.495 -9.297 0.520 379 H TRP 50 H TRP 50 1.941 -6.731 -0.827 380 HA TRP 50 HA TRP 50 4.319 -7.279 -2.590 381 1HB TRP 50 1HB TRP 50 2.367 -5.001 -2.374 382 2HB TRP 50 2HB TRP 50 4.055 -4.545 -2.373 383 HD1 TRP 50 HD1 TRP 50 4.842 -3.841 -4.718 384 HE1 TRP 50 HE1 TRP 50 4.057 -4.180 -7.103 385 HE3 TRP 50 HE3 TRP 50 1.247 -7.341 -3.829 386 HZ2 TRP 50 HZ2 TRP 50 1.873 -5.527 -8.409 387 HZ3 TRP 50 HZ3 TRP 50 -0.178 -8.134 -5.662 388 HH2 TRP 50 HH2 TRP 50 -0.037 -7.117 -7.899 389 H VAL 51 H VAL 51 6.327 -6.365 -1.594 390 HA VAL 51 HA VAL 51 6.098 -5.754 1.332 391 HB VAL 51 HB VAL 51 8.328 -7.213 -0.143 392 1HG1 VAL 51 1HG1 VAL 51 7.992 -6.558 2.803 393 2HG1 VAL 51 2HG1 VAL 51 9.267 -7.589 2.118 394 3HG1 VAL 51 3HG1 VAL 51 9.211 -5.874 1.700 395 1HG2 VAL 51 1HG2 VAL 51 6.251 -8.299 1.791 396 2HG2 VAL 51 2HG2 VAL 51 6.489 -8.747 0.084 397 3HG2 VAL 51 3HG2 VAL 51 7.709 -9.167 1.275 398 H VAL 52 H VAL 52 6.822 -3.721 1.855 399 HA VAL 52 HA VAL 52 8.081 -2.101 -0.314 400 HB VAL 52 HB VAL 52 6.441 -1.296 2.115 401 1HG1 VAL 52 1HG1 VAL 52 8.064 0.443 1.328 402 2HG1 VAL 52 2HG1 VAL 52 7.305 0.419 -0.261 403 3HG1 VAL 52 3HG1 VAL 52 6.380 0.949 1.153 404 1HG2 VAL 52 1HG2 VAL 52 5.011 -2.430 0.417 405 2HG2 VAL 52 2HG2 VAL 52 4.648 -0.710 0.565 406 3HG2 VAL 52 3HG2 VAL 52 5.583 -1.271 -0.808 407 H ASP 53 H ASP 53 10.299 -2.009 -0.008 408 HA ASP 53 HA ASP 53 11.430 -2.339 2.640 409 1HB ASP 53 1HB ASP 53 12.248 -3.263 0.251 410 2HB ASP 53 2HB ASP 53 13.167 -1.812 0.238 411 H VAL 54 H VAL 54 10.081 -0.050 2.877 412 HA VAL 54 HA VAL 54 11.755 2.261 2.204 413 HB VAL 54 HB VAL 54 10.012 3.516 3.576 414 1HG1 VAL 54 1HG1 VAL 54 9.442 2.141 0.961 415 2HG1 VAL 54 2HG1 VAL 54 8.338 3.340 1.681 416 3HG1 VAL 54 3HG1 VAL 54 10.001 3.795 1.296 417 1HG2 VAL 54 1HG2 VAL 54 8.543 0.846 3.399 418 2HG2 VAL 54 2HG2 VAL 54 9.062 1.709 4.833 419 3HG2 VAL 54 3HG2 VAL 54 7.839 2.428 3.788 420 H LYS 55 H LYS 55 13.378 0.731 3.403 421 HA LYS 55 HA LYS 55 14.048 2.145 5.916 422 1HB LYS 55 1HB LYS 55 12.917 0.054 6.618 423 2HB LYS 55 2HB LYS 55 14.025 -0.909 5.681 424 1HG LYS 55 1HG LYS 55 15.485 0.917 7.470 425 2HG LYS 55 2HG LYS 55 14.289 0.006 8.380 426 1HD LYS 55 1HD LYS 55 15.224 -2.102 7.738 427 2HD LYS 55 2HD LYS 55 16.190 -1.375 6.457 428 1HE LYS 55 1HE LYS 55 17.579 -1.979 8.388 429 2HE LYS 55 2HE LYS 55 17.634 -0.252 8.017 430 1HZ LYS 55 1HZ LYS 55 15.992 -1.435 10.188 431 2HZ LYS 55 2HZ LYS 55 17.442 -0.669 10.379 432 3HZ LYS 55 3HZ LYS 55 16.148 0.154 9.874 433 H ASN 56 H ASN 56 14.958 -0.289 3.448 434 HA ASN 56 HA ASN 56 17.812 0.080 4.043 435 1HB ASN 56 1HB ASN 56 16.140 -1.692 2.234 436 2HB ASN 56 2HB ASN 56 17.807 -1.482 1.914 437 2HD2 ASN 56 1HD2 ASN 56 15.584 -3.046 3.885 438 1HD2 ASN 56 2HD2 ASN 56 16.723 -3.898 4.960 439 H GLY 57 H GLY 57 19.301 1.163 2.689 440 1HA GLY 57 1HA GLY 57 20.158 2.273 0.874 441 2HA GLY 57 2HA GLY 57 19.020 1.328 -0.098 442 H LYS 58 H LYS 58 18.009 2.732 -1.412 443 HA LYS 58 HA LYS 58 16.837 5.224 -0.320 444 1HB LYS 58 2HB LYS 58 16.733 6.102 -2.427 445 2HB LYS 58 1HB LYS 58 16.633 4.553 -3.196 446 1HG LYS 58 1HG LYS 58 19.014 4.185 -2.890 447 2HG LYS 58 2HG LYS 58 18.498 5.471 -3.975 448 1HD LYS 58 1HD LYS 58 19.682 6.019 -1.238 449 2HD LYS 58 2HD LYS 58 20.600 5.943 -2.757 450 1HE LYS 58 1HE LYS 58 18.680 7.628 -3.591 451 2HE LYS 58 2HE LYS 58 18.581 7.950 -1.858 452 1HZ LYS 58 1HZ LYS 58 20.982 8.501 -1.953 453 2HZ LYS 58 2HZ LYS 58 20.872 8.463 -3.604 454 3HZ LYS 58 3HZ LYS 58 19.940 9.506 -2.748 455 H GLY 59 H GLY 59 15.992 1.977 -0.468 456 1HA GLY 59 1HA GLY 59 13.959 1.084 -0.217 457 2HA GLY 59 2HA GLY 59 13.182 2.641 -0.557 458 H SER 60 H SER 60 12.427 0.112 -1.510 459 HA SER 60 HA SER 60 11.779 0.537 -4.177 460 1HB SER 60 1HB SER 60 13.542 -1.857 -3.322 461 2HB SER 60 2HB SER 60 12.687 -1.793 -4.852 462 HG SER 60 HG SER 60 13.960 0.180 -5.286 463 H VAL 61 H VAL 61 10.247 -1.354 -4.705 464 HA VAL 61 HA VAL 61 9.112 -2.601 -2.251 465 HB VAL 61 HB VAL 61 7.592 -2.028 -4.793 466 1HG1 VAL 61 1HG1 VAL 61 6.628 -2.785 -2.015 467 2HG1 VAL 61 2HG1 VAL 61 5.574 -2.339 -3.379 468 3HG1 VAL 61 3HG1 VAL 61 6.575 -3.792 -3.459 469 1HG2 VAL 61 1HG2 VAL 61 8.208 0.156 -3.730 470 2HG2 VAL 61 2HG2 VAL 61 6.470 -0.158 -3.705 471 3HG2 VAL 61 3HG2 VAL 61 7.441 -0.393 -2.240 472 H LEU 62 H LEU 62 8.330 -4.803 -2.703 473 HA LEU 62 HA LEU 62 9.937 -6.136 -4.830 474 1HB LEU 62 1HB LEU 62 9.457 -6.983 -1.962 475 2HB LEU 62 2HB LEU 62 10.487 -7.801 -3.126 476 HG LEU 62 HG LEU 62 11.281 -4.957 -2.543 477 1HD1 LEU 62 1HD1 LEU 62 11.278 -7.013 -0.314 478 2HD1 LEU 62 2HD1 LEU 62 12.331 -5.575 -0.349 479 3HD1 LEU 62 3HD1 LEU 62 10.584 -5.392 -0.319 480 1HD2 LEU 62 1HD2 LEU 62 12.593 -6.496 -3.931 481 2HD2 LEU 62 2HD2 LEU 62 13.479 -5.861 -2.550 482 3HD2 LEU 62 3HD2 LEU 62 12.856 -7.538 -2.513 483 HA PRO 63 HA PRO 63 5.683 -7.848 -5.141 484 1HB PRO 63 1HB PRO 63 5.787 -8.774 -7.688 485 2HB PRO 63 2HB PRO 63 5.730 -7.019 -7.329 486 1HG PRO 63 1HG PRO 63 8.125 -8.727 -8.029 487 2HG PRO 63 2HG PRO 63 7.707 -7.097 -8.634 488 1HD PRO 63 1HD PRO 63 9.485 -7.607 -6.552 489 2HD PRO 63 2HD PRO 63 8.594 -6.085 -6.748 490 H ASN 64 H ASN 64 4.878 -9.989 -4.919 491 HA ASN 64 HA ASN 64 5.086 -11.892 -3.751 492 1HB ASN 64 2HB ASN 64 5.276 -13.748 -5.062 493 2HB ASN 64 1HB ASN 64 6.519 -13.028 -6.116 494 2HD2 ASN 64 1HD2 ASN 64 5.656 -13.105 -8.149 495 1HD2 ASN 64 2HD2 ASN 64 4.091 -12.400 -8.517 496 H SER 65 H SER 65 6.988 -10.407 -2.662 497 HA SER 65 HA SER 65 9.645 -11.538 -2.842 498 1HB SER 65 1HB SER 65 8.855 -9.143 -2.181 499 2HB SER 65 2HB SER 65 8.587 -9.842 -0.576 500 HG SER 65 HG SER 65 10.743 -8.881 -1.135 501 H ASP 66 H ASP 66 10.654 -12.650 -1.199 502 HA ASP 66 HA ASP 66 9.016 -14.324 0.640 503 1HB ASP 66 1HB ASP 66 10.604 -15.607 -0.727 504 2HB ASP 66 2HB ASP 66 11.937 -14.612 -0.141 505 H LYS 67 H LYS 67 11.077 -11.524 0.398 506 HA LYS 67 HA LYS 67 12.295 -11.476 2.928 507 1HB LYS 67 1HB LYS 67 11.232 -9.224 1.184 508 2HB LYS 67 2HB LYS 67 11.908 -8.913 2.775 509 1HG LYS 67 1HG LYS 67 14.051 -9.925 2.172 510 2HG LYS 67 2HG LYS 67 13.443 -10.275 0.533 511 1HD LYS 67 1HD LYS 67 13.230 -7.986 -0.007 512 2HD LYS 67 2HD LYS 67 13.389 -7.455 1.683 513 1HE LYS 67 1HE LYS 67 15.749 -8.140 1.674 514 2HE LYS 67 2HE LYS 67 15.578 -8.743 0.015 515 1HZ LYS 67 1HZ LYS 67 15.014 -6.448 -0.652 516 2HZ LYS 67 2HZ LYS 67 15.287 -5.904 0.846 517 3HZ LYS 67 3HZ LYS 67 16.505 -6.571 -0.065 518 H LYS 68 H LYS 68 11.540 -11.448 4.907 519 HA LYS 68 HA LYS 68 8.767 -11.261 5.569 520 1HB LYS 68 1HB LYS 68 9.617 -11.393 7.870 521 2HB LYS 68 2HB LYS 68 10.654 -12.415 6.867 522 1HG LYS 68 1HG LYS 68 12.042 -10.128 6.608 523 2HG LYS 68 2HG LYS 68 11.219 -9.704 8.085 524 1HD LYS 68 1HD LYS 68 12.151 -11.681 9.196 525 2HD LYS 68 2HD LYS 68 12.950 -12.179 7.687 526 1HE LYS 68 1HE LYS 68 14.280 -10.132 7.635 527 2HE LYS 68 2HE LYS 68 13.395 -9.484 9.025 528 1HZ LYS 68 1HZ LYS 68 15.107 -11.893 9.119 529 2HZ LYS 68 2HZ LYS 68 15.555 -10.394 9.641 530 3HZ LYS 68 3HZ LYS 68 14.329 -11.183 10.378 531 H ALA 69 H ALA 69 8.423 -9.622 7.460 532 HA ALA 69 HA ALA 69 9.126 -6.847 6.679 533 1HB ALA 69 3HB ALA 69 7.164 -7.394 5.316 534 2HB ALA 69 2HB ALA 69 6.690 -6.291 6.625 535 3HB ALA 69 1HB ALA 69 6.304 -8.001 6.747 536 H ASP 70 H ASP 70 8.728 -5.277 8.291 537 HA ASP 70 HA ASP 70 8.974 -6.391 10.966 538 1HB ASP 70 1HB ASP 70 9.810 -4.018 9.699 539 2HB ASP 70 2HB ASP 70 8.633 -3.499 10.899 540 H CYS 71 H CYS 71 6.563 -4.589 9.135 541 HA CYS 71 HA CYS 71 4.443 -5.317 11.077 542 1HB CYS 71 1HB CYS 71 4.973 -2.584 9.819 543 2HB CYS 71 2HB CYS 71 3.343 -3.073 10.263 544 H THR 72 H THR 72 2.230 -4.873 9.816 545 HA THR 72 HA THR 72 2.470 -5.375 6.960 546 HB THR 72 HB THR 72 0.557 -7.112 8.526 547 HG1 THR 72 HG1 THR 72 2.235 -7.960 9.286 548 1HG2 THR 72 1HG2 THR 72 1.634 -7.141 5.689 549 2HG2 THR 72 2HG2 THR 72 0.948 -8.576 6.446 550 3HG2 THR 72 3HG2 THR 72 -0.048 -7.146 6.227 551 H ILE 73 H ILE 73 -0.285 -5.455 6.409 552 HA ILE 73 HA ILE 73 -1.763 -3.748 8.118 553 HB ILE 73 HB ILE 73 -0.336 -2.194 6.682 554 1HG1 ILE 73 1HG1 ILE 73 -2.788 -1.877 7.589 555 2HG1 ILE 73 2HG1 ILE 73 -1.800 -0.651 6.828 556 1HG2 ILE 73 1HG2 ILE 73 -0.229 -3.568 4.695 557 2HG2 ILE 73 2HG2 ILE 73 -1.943 -3.340 4.379 558 3HG2 ILE 73 3HG2 ILE 73 -0.831 -1.945 4.312 559 1HD1 ILE 73 1HD1 ILE 73 -3.923 -2.268 5.353 560 2HD1 ILE 73 2HD1 ILE 73 -4.108 -0.605 5.935 561 3HD1 ILE 73 3HD1 ILE 73 -2.943 -0.952 4.662 562 H THR 74 H THR 74 -4.104 -4.024 7.448 563 HA THR 74 HA THR 74 -4.405 -6.136 5.318 564 HB THR 74 HB THR 74 -6.005 -5.764 7.880 565 HG1 THR 74 HG1 THR 74 -4.013 -6.593 8.348 566 1HG2 THR 74 1HG2 THR 74 -7.319 -6.737 5.991 567 2HG2 THR 74 2HG2 THR 74 -6.053 -7.964 5.765 568 3HG2 THR 74 3HG2 THR 74 -7.007 -7.918 7.270 569 H MET 75 H MET 75 -5.694 -5.452 3.570 570 HA MET 75 HA MET 75 -7.947 -3.737 4.396 571 1HB MET 75 1HB MET 75 -5.896 -2.696 2.484 572 2HB MET 75 2HB MET 75 -7.584 -2.366 2.137 573 1HG MET 75 1HG MET 75 -7.755 -1.615 4.600 574 2HG MET 75 2HG MET 75 -6.000 -1.661 4.598 575 1HE MET 75 1HE MET 75 -4.570 -0.188 2.742 576 2HE MET 75 2HE MET 75 -5.735 -0.358 1.407 577 3HE MET 75 3HE MET 75 -5.248 1.257 1.946 578 H ALA 76 H ALA 76 -6.562 -5.976 2.072 579 HA ALA 76 HA ALA 76 -7.567 -7.503 0.724 580 1HB ALA 76 1HB ALA 76 -9.596 -7.626 2.294 581 2HB ALA 76 3HB ALA 76 -9.910 -7.943 0.577 582 3HB ALA 76 2HB ALA 76 -10.342 -6.388 1.262 583 H ASP 77 H ASP 77 -8.341 -7.442 -1.447 584 HA ASP 77 HA ASP 77 -7.358 -5.326 -2.975 585 1HB ASP 77 1HB ASP 77 -7.912 -7.723 -3.571 586 2HB ASP 77 2HB ASP 77 -9.588 -7.257 -3.676 587 H SER 78 H SER 78 -10.532 -6.159 -2.043 588 HA SER 78 HA SER 78 -12.195 -4.400 -3.449 589 1HB SER 78 1HB SER 78 -12.815 -6.491 -2.267 590 2HB SER 78 2HB SER 78 -12.469 -5.750 -0.723 591 HG SER 78 HG SER 78 -14.726 -5.940 -1.815 592 H ASP 79 H ASP 79 -10.495 -3.999 -0.374 593 HA ASP 79 HA ASP 79 -11.749 -1.324 0.041 594 1HB ASP 79 1HB ASP 79 -11.269 -3.206 1.813 595 2HB ASP 79 2HB ASP 79 -9.675 -2.449 1.857 596 H PHE 80 H PHE 80 -8.492 -2.757 -0.561 597 HA PHE 80 HA PHE 80 -6.943 -0.375 -0.518 598 1HB PHE 80 1HB PHE 80 -6.659 -3.024 -1.956 599 2HB PHE 80 2HB PHE 80 -5.627 -1.694 -2.422 600 HD1 PHE 80 HD1 PHE 80 -4.090 -0.584 -0.659 601 HD2 PHE 80 HD2 PHE 80 -5.965 -4.425 -0.186 602 HE1 PHE 80 HE1 PHE 80 -2.420 -1.197 1.051 603 HE2 PHE 80 HE2 PHE 80 -4.285 -5.035 1.491 604 HZ PHE 80 HZ PHE 80 -2.511 -3.497 2.166 605 H LEU 81 H LEU 81 -8.646 -1.913 -3.332 606 HA LEU 81 HA LEU 81 -7.851 0.134 -5.184 607 1HB LEU 81 1HB LEU 81 -8.938 -2.175 -5.728 608 2HB LEU 81 2HB LEU 81 -10.446 -1.414 -5.297 609 HG LEU 81 HG LEU 81 -9.634 0.471 -7.021 610 1HD1 LEU 81 1HD1 LEU 81 -7.446 -0.692 -7.420 611 2HD1 LEU 81 2HD1 LEU 81 -8.337 -2.037 -8.164 612 3HD1 LEU 81 3HD1 LEU 81 -8.387 -0.404 -8.884 613 1HD2 LEU 81 1HD2 LEU 81 -11.718 -0.800 -7.245 614 2HD2 LEU 81 2HD2 LEU 81 -10.907 -0.598 -8.800 615 3HD2 LEU 81 3HD2 LEU 81 -10.821 -2.161 -7.938 616 H ALA 82 H ALA 82 -10.867 -0.385 -3.383 617 HA ALA 82 HA ALA 82 -12.196 1.988 -4.121 618 1HB ALA 82 3HB ALA 82 -13.579 1.619 -2.083 619 2HB ALA 82 1HB ALA 82 -13.337 0.124 -2.986 620 3HB ALA 82 2HB ALA 82 -12.407 0.443 -1.493 621 H LEU 83 H LEU 83 -9.502 1.660 -1.953 622 HA LEU 83 HA LEU 83 -9.838 4.167 -0.595 623 1HB LEU 83 1HB LEU 83 -8.295 2.044 -0.048 624 2HB LEU 83 2HB LEU 83 -7.125 2.852 -1.050 625 HG LEU 83 HG LEU 83 -6.625 3.447 1.144 626 1HD1 LEU 83 1HD1 LEU 83 -6.600 5.419 -0.362 627 2HD1 LEU 83 2HD1 LEU 83 -8.249 5.830 0.162 628 3HD1 LEU 83 3HD1 LEU 83 -6.925 5.836 1.328 629 1HD2 LEU 83 1HD2 LEU 83 -9.584 3.976 1.552 630 2HD2 LEU 83 2HD2 LEU 83 -8.620 2.684 2.244 631 3HD2 LEU 83 3HD2 LEU 83 -8.319 4.399 2.714 632 H MET 84 H MET 84 -7.247 3.267 -2.963 633 HA MET 84 HA MET 84 -6.879 6.072 -3.461 634 1HB MET 84 1HB MET 84 -5.011 5.238 -4.936 635 2HB MET 84 2HB MET 84 -4.958 4.950 -3.201 636 1HG MET 84 1HG MET 84 -6.059 2.654 -4.638 637 2HG MET 84 2HG MET 84 -4.461 3.097 -5.206 638 1HE MET 84 1HE MET 84 -2.433 3.619 -3.561 639 2HE MET 84 2HE MET 84 -2.064 2.543 -2.202 640 3HE MET 84 3HE MET 84 -2.142 1.925 -3.839 641 H THR 85 H THR 85 -8.576 3.560 -5.371 642 HA THR 85 HA THR 85 -8.768 5.308 -7.693 643 HB THR 85 HB THR 85 -10.127 2.714 -6.875 644 HG1 THR 85 HG1 THR 85 -7.781 2.880 -7.578 645 1HG2 THR 85 1HG2 THR 85 -10.333 4.176 -9.514 646 2HG2 THR 85 2HG2 THR 85 -10.779 2.472 -9.243 647 3HG2 THR 85 3HG2 THR 85 -11.664 3.760 -8.404 648 H GLY 86 H GLY 86 -10.228 5.298 -4.554 649 1HA GLY 86 1HA GLY 86 -11.536 6.930 -3.684 650 2HA GLY 86 2HA GLY 86 -11.692 7.637 -5.289 651 H LYS 87 H LYS 87 -12.874 4.933 -3.276 652 HA LYS 87 HA LYS 87 -15.588 5.309 -4.439 653 1HB LYS 87 1HB LYS 87 -14.164 3.424 -5.519 654 2HB LYS 87 2HB LYS 87 -14.403 2.556 -3.996 655 1HG LYS 87 1HG LYS 87 -16.862 2.705 -4.326 656 2HG LYS 87 2HG LYS 87 -16.585 3.627 -5.813 657 1HD LYS 87 2HD LYS 87 -15.204 1.571 -6.608 658 2HD LYS 87 1HD LYS 87 -16.957 1.503 -6.671 659 1HE LYS 87 2HE LYS 87 -15.327 0.375 -4.351 660 2HE LYS 87 1HE LYS 87 -15.831 -0.568 -5.758 661 1HZ LYS 87 1HZ LYS 87 -18.101 0.720 -4.725 662 2HZ LYS 87 2HZ LYS 87 -17.740 -0.889 -4.831 663 3HZ LYS 87 3HZ LYS 87 -17.347 -0.086 -3.495 664 H MET 88 H MET 88 -13.597 4.450 -1.620 665 HA MET 88 HA MET 88 -16.042 4.565 0.067 666 1HB MET 88 1HB MET 88 -13.770 2.562 0.042 667 2HB MET 88 2HB MET 88 -14.535 2.976 1.570 668 1HG MET 88 1HG MET 88 -16.224 2.179 -0.804 669 2HG MET 88 2HG MET 88 -15.456 0.964 0.215 670 1HE MET 88 1HE MET 88 -18.313 0.434 0.082 671 2HE MET 88 2HE MET 88 -19.465 1.387 1.043 672 3HE MET 88 3HE MET 88 -18.762 2.075 -0.430 673 H ASN 89 H ASN 89 -15.613 5.316 2.163 674 HA ASN 89 HA ASN 89 -14.121 7.646 2.390 675 1HB ASN 89 1HB ASN 89 -15.410 5.795 4.385 676 2HB ASN 89 2HB ASN 89 -14.236 6.942 5.005 677 2HD2 ASN 89 1HD2 ASN 89 -14.652 9.229 4.897 678 1HD2 ASN 89 2HD2 ASN 89 -16.182 9.861 4.266 679 HA PRO 90 HA PRO 90 -10.153 5.831 2.375 680 1HB PRO 90 1HB PRO 90 -8.530 8.011 2.539 681 2HB PRO 90 2HB PRO 90 -9.646 7.753 1.190 682 1HG PRO 90 2HG PRO 90 -10.329 9.918 1.959 683 2HG PRO 90 1HG PRO 90 -10.136 9.424 3.679 684 1HD PRO 90 1HD PRO 90 -12.436 9.027 3.434 685 2HD PRO 90 2HD PRO 90 -12.269 8.619 1.703 686 H GLN 91 H GLN 91 -11.297 5.307 4.862 687 HA GLN 91 HA GLN 91 -9.136 5.719 6.843 688 1HB GLN 91 1HB GLN 91 -11.082 7.602 6.643 689 2HB GLN 91 2HB GLN 91 -11.970 6.460 7.617 690 1HG GLN 91 2HG GLN 91 -9.953 6.494 9.240 691 2HG GLN 91 1HG GLN 91 -10.933 7.961 9.152 692 2HE2 GLN 91 1HE2 GLN 91 -10.070 9.338 7.031 693 1HE2 GLN 91 2HE2 GLN 91 -8.325 9.479 6.930 694 H SER 92 H SER 92 -9.771 3.246 5.639 695 HA SER 92 HA SER 92 -11.975 1.912 6.639 696 1HB SER 92 1HB SER 92 -11.312 0.172 5.470 697 2HB SER 92 2HB SER 92 -10.144 1.289 4.784 698 HG SER 92 HG SER 92 -9.660 -0.962 5.840 699 H ALA 93 H ALA 93 -8.622 1.424 8.064 700 HA ALA 93 HA ALA 93 -9.318 0.140 10.204 701 1HB ALA 93 2HB ALA 93 -7.524 2.441 11.020 702 2HB ALA 93 3HB ALA 93 -7.167 0.707 10.978 703 3HB ALA 93 1HB ALA 93 -7.064 1.738 9.526 704 H PHE 94 H PHE 94 -10.743 3.221 9.838 705 HA PHE 94 HA PHE 94 -11.475 3.554 12.710 706 1HB PHE 94 1HB PHE 94 -10.441 5.500 11.536 707 2HB PHE 94 2HB PHE 94 -11.658 5.411 10.292 708 HD1 PHE 94 HD1 PHE 94 -14.115 5.899 10.835 709 HD2 PHE 94 HD2 PHE 94 -10.795 6.940 13.408 710 HE1 PHE 94 HE1 PHE 94 -15.503 7.580 11.964 711 HE2 PHE 94 HE2 PHE 94 -12.197 8.626 14.511 712 HZ PHE 94 HZ PHE 94 -14.594 8.924 13.812 713 H PHE 95 H PHE 95 -12.765 3.741 9.363 714 HA PHE 95 HA PHE 95 -15.514 3.749 10.120 715 1HB PHE 95 1HB PHE 95 -14.669 4.855 8.132 716 2HB PHE 95 2HB PHE 95 -14.009 3.354 7.496 717 HD1 PHE 95 HD1 PHE 95 -17.284 4.902 8.558 718 HD2 PHE 95 HD2 PHE 95 -15.279 2.105 5.934 719 HE1 PHE 95 HE1 PHE 95 -19.413 4.450 7.393 720 HE2 PHE 95 HE2 PHE 95 -17.417 1.671 4.779 721 HZ PHE 95 HZ PHE 95 -19.497 2.826 5.528 722 H GLN 96 H GLN 96 -13.615 1.279 8.344 723 HA GLN 96 HA GLN 96 -15.469 -0.911 8.651 724 1HB GLN 96 1HB GLN 96 -12.650 -0.366 7.680 725 2HB GLN 96 2HB GLN 96 -12.983 -1.959 8.236 726 1HG GLN 96 1HG GLN 96 -14.997 -0.872 6.324 727 2HG GLN 96 2HG GLN 96 -13.357 -0.877 5.686 728 2HE2 GLN 96 1HE2 GLN 96 -12.122 -3.010 6.623 729 1HE2 GLN 96 2HE2 GLN 96 -12.990 -4.499 6.172 730 H GLY 97 H GLY 97 -12.613 0.347 10.412 731 1HA GLY 97 1HA GLY 97 -12.012 0.029 12.623 732 2HA GLY 97 2HA GLY 97 -13.513 -0.859 12.877 733 H LYS 98 H LYS 98 -11.524 -2.182 10.327 734 HA LYS 98 HA LYS 98 -11.108 -4.660 11.593 735 1HB LYS 98 1HB LYS 98 -10.030 -3.225 9.177 736 2HB LYS 98 2HB LYS 98 -9.147 -4.634 9.686 737 1HG LYS 98 1HG LYS 98 -12.134 -4.907 9.324 738 2HG LYS 98 2HG LYS 98 -11.084 -4.749 7.914 739 1HD LYS 98 1HD LYS 98 -9.703 -6.691 8.768 740 2HD LYS 98 2HD LYS 98 -10.949 -6.946 10.013 741 1HE LYS 98 1HE LYS 98 -12.661 -7.198 8.260 742 2HE LYS 98 2HE LYS 98 -11.468 -6.845 7.000 743 1HZ LYS 98 1HZ LYS 98 -11.394 -9.201 8.775 744 2HZ LYS 98 2HZ LYS 98 -11.945 -9.208 7.234 745 3HZ LYS 98 3HZ LYS 98 -10.361 -8.922 7.529 746 H LEU 99 H LEU 99 -9.493 -1.877 12.556 747 HA LEU 99 HA LEU 99 -7.365 -1.259 13.086 748 1HB LEU 99 1HB LEU 99 -8.115 -2.513 15.090 749 2HB LEU 99 2HB LEU 99 -7.370 -3.974 14.447 750 HG LEU 99 HG LEU 99 -5.116 -2.882 14.589 751 1HD1 LEU 99 1HD1 LEU 99 -6.650 -0.601 15.881 752 2HD1 LEU 99 2HD1 LEU 99 -4.881 -0.803 15.920 753 3HD1 LEU 99 3HD1 LEU 99 -5.691 -0.524 14.378 754 1HD2 LEU 99 1HD2 LEU 99 -6.733 -2.853 17.166 755 2HD2 LEU 99 2HD2 LEU 99 -5.936 -4.263 16.431 756 3HD2 LEU 99 3HD2 LEU 99 -4.960 -2.918 17.049 757 H LYS 100 H LYS 100 -7.103 -1.631 10.515 758 HA LYS 100 HA LYS 100 -5.221 -3.615 9.753 759 1HB LYS 100 1HB LYS 100 -5.093 -2.292 7.731 760 2HB LYS 100 2HB LYS 100 -6.725 -2.219 8.289 761 1HG LYS 100 1HG LYS 100 -5.800 0.066 9.367 762 2HG LYS 100 2HG LYS 100 -4.535 -0.168 8.181 763 1HD LYS 100 1HD LYS 100 -6.368 -0.446 6.405 764 2HD LYS 100 2HD LYS 100 -7.503 -0.026 7.666 765 1HE LYS 100 2HE LYS 100 -6.178 2.204 7.905 766 2HE LYS 100 1HE LYS 100 -7.273 1.963 6.538 767 1HZ LYS 100 1HZ LYS 100 -5.328 1.390 5.220 768 2HZ LYS 100 2HZ LYS 100 -5.299 2.920 5.790 769 3HZ LYS 100 3HZ LYS 100 -4.338 1.781 6.516 770 H ILE 101 H ILE 101 -3.071 -3.479 9.906 771 HA ILE 101 HA ILE 101 -2.049 -1.696 11.939 772 HB ILE 101 HB ILE 101 -0.913 -4.043 10.439 773 1HG1 ILE 101 1HG1 ILE 101 -2.625 -4.587 12.095 774 2HG1 ILE 101 2HG1 ILE 101 -1.059 -5.170 12.605 775 1HG2 ILE 101 1HG2 ILE 101 0.545 -2.444 12.547 776 2HG2 ILE 101 2HG2 ILE 101 0.947 -4.128 12.091 777 3HG2 ILE 101 3HG2 ILE 101 1.085 -2.853 10.902 778 1HD1 ILE 101 1HD1 ILE 101 -0.874 -3.244 14.200 779 2HD1 ILE 101 2HD1 ILE 101 -2.523 -2.747 13.733 780 3HD1 ILE 101 3HD1 ILE 101 -2.254 -4.308 14.506 781 H THR 102 H THR 102 0.622 -1.160 11.127 782 HA THR 102 HA THR 102 0.431 0.810 9.015 783 HB THR 102 HB THR 102 1.098 2.532 10.991 784 HG1 THR 102 HG1 THR 102 0.705 1.483 12.782 785 1HG2 THR 102 1HG2 THR 102 -0.775 2.857 9.348 786 2HG2 THR 102 2HG2 THR 102 -1.844 1.969 10.458 787 3HG2 THR 102 3HG2 THR 102 -1.090 3.496 10.942 788 H GLY 103 H GLY 103 2.550 1.659 8.589 789 1HA GLY 103 1HA GLY 103 4.823 0.137 9.722 790 2HA GLY 103 2HA GLY 103 4.845 1.220 8.316 791 H ASN 104 H ASN 104 4.902 3.564 8.679 792 HA ASN 104 HA ASN 104 4.485 4.641 11.270 793 1HB ASN 104 1HB ASN 104 7.120 3.811 10.941 794 2HB ASN 104 2HB ASN 104 7.198 5.455 10.326 795 2HD2 ASN 104 1HD2 ASN 104 7.234 3.589 13.175 796 1HD2 ASN 104 2HD2 ASN 104 6.984 4.870 14.334 797 H MET 105 H MET 105 5.054 7.065 11.127 798 HA MET 105 HA MET 105 4.460 9.053 10.299 799 1HB MET 105 1HB MET 105 6.817 8.722 9.750 800 2HB MET 105 2HB MET 105 6.360 8.244 8.098 801 1HG MET 105 1HG MET 105 5.479 10.891 9.296 802 2HG MET 105 2HG MET 105 7.087 10.706 8.620 803 1HE MET 105 1HE MET 105 3.675 11.934 7.952 804 2HE MET 105 2HE MET 105 5.071 12.970 7.570 805 3HE MET 105 3HE MET 105 3.959 12.491 6.282 806 H GLY 106 H GLY 106 2.242 8.843 9.933 807 1HA GLY 106 1HA GLY 106 0.572 9.799 8.798 808 2HA GLY 106 2HA GLY 106 1.677 10.100 7.470 809 H LEU 107 H LEU 107 2.262 7.993 6.327 810 HA LEU 107 HA LEU 107 1.551 6.829 4.526 811 1HB LEU 107 1HB LEU 107 1.728 4.630 5.056 812 2HB LEU 107 2HB LEU 107 2.700 5.508 6.209 813 HG LEU 107 HG LEU 107 0.312 5.071 7.629 814 1HD1 LEU 107 1HD1 LEU 107 -0.402 3.491 5.710 815 2HD1 LEU 107 2HD1 LEU 107 0.986 2.494 6.137 816 3HD1 LEU 107 3HD1 LEU 107 -0.327 2.742 7.294 817 1HD2 LEU 107 1HD2 LEU 107 2.846 3.444 7.612 818 2HD2 LEU 107 2HD2 LEU 107 2.431 4.867 8.614 819 3HD2 LEU 107 3HD2 LEU 107 1.558 3.372 8.843 820 H ALA 108 H ALA 108 -0.904 5.819 6.821 821 HA ALA 108 HA ALA 108 -2.804 4.906 4.948 822 1HB ALA 108 2HB ALA 108 -3.084 5.779 7.856 823 2HB ALA 108 3HB ALA 108 -4.186 4.725 6.978 824 3HB ALA 108 1HB ALA 108 -2.538 4.179 7.332 825 H MET 109 H MET 109 -2.485 7.924 6.864 826 HA MET 109 HA MET 109 -4.792 9.182 5.552 827 1HB MET 109 1HB MET 109 -3.971 9.520 7.988 828 2HB MET 109 2HB MET 109 -2.668 10.482 7.288 829 1HG MET 109 1HG MET 109 -4.553 11.823 6.127 830 2HG MET 109 2HG MET 109 -5.661 11.012 7.216 831 1HE MET 109 1HE MET 109 -4.364 10.852 10.008 832 2HE MET 109 2HE MET 109 -4.723 12.442 10.708 833 3HE MET 109 3HE MET 109 -5.955 11.598 9.739 834 H LYS 110 H LYS 110 -1.303 9.119 5.273 835 HA LYS 110 HA LYS 110 -1.068 11.545 3.696 836 1HB LYS 110 1HB LYS 110 0.573 10.098 5.378 837 2HB LYS 110 2HB LYS 110 1.271 9.678 3.842 838 1HG LYS 110 1HG LYS 110 0.844 12.457 5.037 839 2HG LYS 110 2HG LYS 110 2.353 11.553 4.926 840 1HD LYS 110 1HD LYS 110 1.983 11.624 2.351 841 2HD LYS 110 2HD LYS 110 0.807 12.901 2.689 842 1HE LYS 110 1HE LYS 110 2.408 14.427 3.227 843 2HE LYS 110 2HE LYS 110 3.338 13.259 4.179 844 1HZ LYS 110 1HZ LYS 110 3.385 13.411 1.241 845 2HZ LYS 110 2HZ LYS 110 4.533 14.031 2.204 846 3HZ LYS 110 3HZ LYS 110 4.275 12.386 2.182 847 H LEU 111 H LEU 111 -2.898 10.075 2.356 848 HA LEU 111 HA LEU 111 -1.580 8.512 0.213 849 1HB LEU 111 2HB LEU 111 -3.485 7.483 1.280 850 2HB LEU 111 1HB LEU 111 -3.809 7.824 -0.400 851 HG LEU 111 HG LEU 111 -4.801 10.086 1.131 852 1HD1 LEU 111 1HD1 LEU 111 -5.656 9.223 -1.033 853 2HD1 LEU 111 2HD1 LEU 111 -6.350 7.832 -0.211 854 3HD1 LEU 111 3HD1 LEU 111 -6.938 9.474 0.165 855 1HD2 LEU 111 1HD2 LEU 111 -5.699 7.435 2.268 856 2HD2 LEU 111 2HD2 LEU 111 -4.883 8.772 3.100 857 3HD2 LEU 111 3HD2 LEU 111 -6.509 9.004 2.495 858 H GLN 112 H GLN 112 -0.441 10.416 -0.758 859 HA GLN 112 HA GLN 112 -2.366 12.047 -2.322 860 1HB GLN 112 1HB GLN 112 0.270 13.246 -1.766 861 2HB GLN 112 2HB GLN 112 -1.284 13.972 -2.138 862 1HG GLN 112 1HG GLN 112 -1.965 13.104 0.251 863 2HG GLN 112 2HG GLN 112 -0.222 12.889 0.507 864 2HE2 GLN 112 1HE2 GLN 112 -1.326 14.643 2.271 865 1HE2 GLN 112 2HE2 GLN 112 -0.998 16.267 1.775 866 H ASN 113 H ASN 113 1.060 11.167 -2.534 867 HA ASN 113 HA ASN 113 0.634 10.451 -5.368 868 1HB ASN 113 1HB ASN 113 3.006 10.788 -5.754 869 2HB ASN 113 2HB ASN 113 2.168 12.283 -5.355 870 2HD2 ASN 113 1HD2 ASN 113 4.113 13.456 -4.671 871 1HD2 ASN 113 2HD2 ASN 113 4.992 12.911 -3.260 872 H LEU 114 H LEU 114 2.454 9.414 -2.516 873 HA LEU 114 HA LEU 114 3.526 7.150 -3.571 874 1HB LEU 114 1HB LEU 114 3.873 8.001 -1.220 875 2HB LEU 114 2HB LEU 114 2.325 7.314 -0.767 876 HG LEU 114 HG LEU 114 3.346 5.043 -1.671 877 1HD1 LEU 114 1HD1 LEU 114 5.881 6.646 -1.111 878 2HD1 LEU 114 2HD1 LEU 114 5.812 4.900 -1.285 879 3HD1 LEU 114 3HD1 LEU 114 5.408 5.951 -2.658 880 1HD2 LEU 114 1HD2 LEU 114 2.736 5.440 0.669 881 2HD2 LEU 114 2HD2 LEU 114 4.219 4.509 0.537 882 3HD2 LEU 114 3HD2 LEU 114 4.320 6.219 0.959 883 H GLN 115 H GLN 115 0.345 7.272 -1.963 884 HA GLN 115 HA GLN 115 -0.316 4.616 -3.104 885 1HB GLN 115 1HB GLN 115 -1.636 6.289 -0.902 886 2HB GLN 115 2HB GLN 115 -2.280 4.757 -1.480 887 1HG GLN 115 1HG GLN 115 -0.085 3.663 -0.833 888 2HG GLN 115 2HG GLN 115 0.371 5.170 -0.037 889 2HE2 GLN 115 1HE2 GLN 115 -1.241 5.982 1.756 890 1HE2 GLN 115 2HE2 GLN 115 -2.098 4.742 2.608 891 H LEU 116 H LEU 116 -0.043 6.542 -5.029 892 HA LEU 116 HA LEU 116 -0.971 7.755 -6.561 893 1HB LEU 116 1HB LEU 116 -3.011 5.548 -6.245 894 2HB LEU 116 2HB LEU 116 -3.412 6.878 -7.292 895 HG LEU 116 HG LEU 116 -1.156 4.942 -7.648 896 1HD1 LEU 116 1HD1 LEU 116 -3.404 4.264 -8.358 897 2HD1 LEU 116 2HD1 LEU 116 -3.538 5.732 -9.367 898 3HD1 LEU 116 3HD1 LEU 116 -2.350 4.480 -9.764 899 1HD2 LEU 116 1HD2 LEU 116 -1.514 7.633 -8.961 900 2HD2 LEU 116 2HD2 LEU 116 -0.038 6.853 -8.313 901 3HD2 LEU 116 3HD2 LEU 116 -0.736 6.296 -9.814 902 H GLN 117 H GLN 117 -3.254 8.776 -7.289 903 HA GLN 117 HA GLN 117 -3.585 10.793 -5.243 904 1HB GLN 117 2HB GLN 117 -3.620 12.359 -6.824 905 2HB GLN 117 1HB GLN 117 -4.240 11.325 -8.087 906 1HG GLN 117 1HG GLN 117 -1.468 10.627 -7.154 907 2HG GLN 117 2HG GLN 117 -2.179 10.592 -8.773 908 2HE2 GLN 117 1HE2 GLN 117 -1.206 12.754 -6.141 909 1HE2 GLN 117 2HE2 GLN 117 -1.273 14.178 -7.143 910 HA PRO 118 HA PRO 118 -7.559 8.925 -4.849 911 1HB PRO 118 1HB PRO 118 -8.592 10.372 -2.756 912 2HB PRO 118 2HB PRO 118 -7.234 9.231 -2.594 913 1HG PRO 118 1HG PRO 118 -7.063 12.250 -3.040 914 2HG PRO 118 2HG PRO 118 -6.284 11.304 -1.734 915 1HD PRO 118 1HD PRO 118 -5.006 11.993 -4.011 916 2HD PRO 118 2HD PRO 118 -4.737 10.384 -3.279 917 H GLY 119 H GLY 119 -9.924 9.577 -4.597 918 1HA GLY 119 1HA GLY 119 -10.601 11.687 -6.569 919 2HA GLY 119 2HA GLY 119 -11.479 10.203 -6.294 920 H ASN 120 H ASN 120 -10.703 13.410 -4.930 921 HA ASN 120 HA ASN 120 -12.779 13.383 -2.878 922 1HB ASN 120 1HB ASN 120 -11.269 15.518 -4.418 923 2HB ASN 120 2HB ASN 120 -12.728 15.964 -3.549 924 2HD2 ASN 120 1HD2 ASN 120 -9.941 16.766 -3.107 925 1HD2 ASN 120 2HD2 ASN 120 -9.574 16.381 -1.431 926 H ALA 121 H ALA 121 -14.883 14.171 -3.114 927 HA ALA 121 HA ALA 121 -16.927 14.223 -4.098 928 1HB ALA 121 1HB ALA 121 -16.202 16.536 -3.858 929 2HB ALA 121 3HB ALA 121 -17.254 16.347 -5.269 930 3HB ALA 121 2HB ALA 121 -15.500 16.509 -5.494 931 H LYS 122 H LYS 122 -17.024 12.188 -5.200 932 HA LYS 122 HA LYS 122 -17.437 12.506 -8.067 933 1HB LYS 122 1HB LYS 122 -15.054 11.617 -7.637 934 2HB LYS 122 2HB LYS 122 -15.850 10.199 -6.961 935 1HG LYS 122 1HG LYS 122 -16.995 10.674 -9.569 936 2HG LYS 122 2HG LYS 122 -15.260 10.855 -9.732 937 1HD LYS 122 1HD LYS 122 -14.868 8.651 -8.744 938 2HD LYS 122 2HD LYS 122 -16.595 8.483 -8.374 939 1HE LYS 122 1HE LYS 122 -17.135 8.592 -10.784 940 2HE LYS 122 2HE LYS 122 -15.415 8.710 -11.168 941 1HZ LYS 122 1HZ LYS 122 -16.617 6.423 -9.735 942 2HZ LYS 122 2HZ LYS 122 -16.361 6.493 -11.365 943 3HZ LYS 122 3HZ LYS 122 -15.082 6.530 -10.317 944 H LEU 123 H LEU 123 -18.541 10.203 -8.770 945 HA LEU 123 HA LEU 123 -20.693 9.753 -6.825 946 1HB LEU 123 1HB LEU 123 -20.901 10.153 -9.428 947 2HB LEU 123 2HB LEU 123 -20.434 8.448 -9.548 948 HG LEU 123 HG LEU 123 -22.456 7.881 -8.125 949 1HD1 LEU 123 1HD1 LEU 123 -23.104 10.835 -8.523 950 2HD1 LEU 123 2HD1 LEU 123 -24.195 9.593 -7.861 951 3HD1 LEU 123 3HD1 LEU 123 -22.760 10.057 -6.967 952 1HD2 LEU 123 1HD2 LEU 123 -22.827 9.365 -10.738 953 2HD2 LEU 123 2HD2 LEU 123 -22.613 7.627 -10.487 954 3HD2 LEU 123 3HD2 LEU 123 -24.106 8.409 -9.953 No H/Q in entry = 954 Start of MODEL 10 1 H SER 1 H SER 1 -3.142 -16.158 4.862 2 HA SER 1 HA SER 1 -1.138 -14.125 4.324 3 1HB SER 1 1HB SER 1 -0.744 -15.356 6.668 4 2HB SER 1 2HB SER 1 -0.072 -16.620 5.626 5 HG SER 1 HG SER 1 0.797 -14.108 6.275 6 H SER 2 H SER 2 -1.495 -14.390 2.160 7 HA SER 2 HA SER 2 -0.064 -16.631 1.004 8 1HB SER 2 1HB SER 2 -2.916 -16.127 0.052 9 2HB SER 2 2HB SER 2 -1.780 -17.346 -0.551 10 HG SER 2 HG SER 2 -1.936 -17.642 2.058 11 H ALA 3 H ALA 3 -0.179 -16.128 -1.671 12 HA ALA 3 HA ALA 3 -0.433 -13.318 -2.289 13 1HB ALA 3 3HB ALA 3 1.888 -13.310 -1.425 14 2HB ALA 3 2HB ALA 3 1.886 -13.106 -3.185 15 3HB ALA 3 1HB ALA 3 2.296 -14.681 -2.482 16 H SER 4 H SER 4 -0.802 -13.160 -4.631 17 HA SER 4 HA SER 4 -0.317 -15.568 -6.267 18 1HB SER 4 1HB SER 4 -3.015 -14.297 -5.671 19 2HB SER 4 2HB SER 4 -2.714 -15.372 -7.028 20 HG SER 4 HG SER 4 -2.122 -17.009 -5.572 21 H ASP 5 H ASP 5 -0.499 -12.030 -6.169 22 HA ASP 5 HA ASP 5 -0.396 -10.485 -7.816 23 1HB ASP 5 2HB ASP 5 1.752 -11.766 -7.978 24 2HB ASP 5 1HB ASP 5 1.342 -10.570 -9.182 25 H GLY 6 H GLY 6 -2.856 -12.147 -8.091 26 1HA GLY 6 1HA GLY 6 -3.503 -11.465 -10.926 27 2HA GLY 6 2HA GLY 6 -4.208 -12.810 -10.046 28 H PHE 7 H PHE 7 -3.811 -9.261 -9.877 29 HA PHE 7 HA PHE 7 -6.599 -8.863 -8.950 30 1HB PHE 7 2HB PHE 7 -5.770 -7.443 -7.099 31 2HB PHE 7 1HB PHE 7 -4.106 -7.742 -7.576 32 HD1 PHE 7 HD1 PHE 7 -3.040 -9.922 -7.202 33 HD2 PHE 7 HD2 PHE 7 -6.915 -8.952 -5.629 34 HE1 PHE 7 HE1 PHE 7 -3.004 -12.013 -5.843 35 HE2 PHE 7 HE2 PHE 7 -6.852 -11.004 -4.204 36 HZ PHE 7 HZ PHE 7 -4.932 -12.593 -4.459 37 H LYS 8 H LYS 8 -7.214 -6.511 -9.074 38 HA LYS 8 HA LYS 8 -5.619 -5.055 -11.081 39 1HB LYS 8 1HB LYS 8 -8.294 -4.515 -9.817 40 2HB LYS 8 2HB LYS 8 -7.299 -3.168 -10.379 41 1HG LYS 8 1HG LYS 8 -7.092 -4.368 -12.613 42 2HG LYS 8 2HG LYS 8 -8.440 -5.382 -12.074 43 1HD LYS 8 1HD LYS 8 -9.929 -3.497 -11.959 44 2HD LYS 8 2HD LYS 8 -8.588 -2.337 -11.977 45 1HE LYS 8 1HE LYS 8 -8.040 -3.191 -14.316 46 2HE LYS 8 2HE LYS 8 -9.609 -4.004 -14.296 47 1HZ LYS 8 1HZ LYS 8 -9.166 -1.085 -13.938 48 2HZ LYS 8 2HZ LYS 8 -9.744 -1.803 -15.312 49 3HZ LYS 8 3HZ LYS 8 -10.630 -1.801 -13.942 50 H ALA 9 H ALA 9 -5.669 -5.415 -7.602 51 HA ALA 9 HA ALA 9 -4.532 -3.131 -6.653 52 1HB ALA 9 3HB ALA 9 -3.422 -4.470 -5.024 53 2HB ALA 9 1HB ALA 9 -4.885 -5.370 -5.416 54 3HB ALA 9 2HB ALA 9 -3.333 -5.886 -6.092 55 H ASN 10 H ASN 10 -3.083 -5.339 -8.908 56 HA ASN 10 HA ASN 10 -0.322 -4.904 -8.746 57 1HB ASN 10 1HB ASN 10 -1.990 -6.410 -10.281 58 2HB ASN 10 2HB ASN 10 -1.665 -5.149 -11.436 59 2HD2 ASN 10 1HD2 ASN 10 -0.904 -8.086 -11.381 60 1HD2 ASN 10 2HD2 ASN 10 0.823 -8.131 -11.480 61 H LEU 11 H LEU 11 -2.864 -3.098 -10.565 62 HA LEU 11 HA LEU 11 -1.172 -1.459 -12.075 63 1HB LEU 11 1HB LEU 11 -4.061 -1.128 -11.137 64 2HB LEU 11 2HB LEU 11 -3.254 -0.043 -12.227 65 HG LEU 11 HG LEU 11 -4.555 -1.386 -13.599 66 1HD1 LEU 11 1HD1 LEU 11 -2.215 -1.072 -14.394 67 2HD1 LEU 11 2HD1 LEU 11 -1.831 -2.706 -13.789 68 3HD1 LEU 11 3HD1 LEU 11 -3.045 -2.508 -15.063 69 1HD2 LEU 11 1HD2 LEU 11 -5.054 -3.177 -12.069 70 2HD2 LEU 11 2HD2 LEU 11 -4.518 -3.844 -13.617 71 3HD2 LEU 11 3HD2 LEU 11 -3.414 -3.859 -12.262 72 H VAL 12 H VAL 12 -2.455 -1.236 -8.854 73 HA VAL 12 HA VAL 12 -1.839 1.572 -8.406 74 HB VAL 12 HB VAL 12 -3.346 -0.707 -7.069 75 1HG1 VAL 12 1HG1 VAL 12 -2.597 1.901 -5.802 76 2HG1 VAL 12 2HG1 VAL 12 -3.924 0.853 -5.210 77 3HG1 VAL 12 3HG1 VAL 12 -2.255 0.275 -5.167 78 1HG2 VAL 12 1HG2 VAL 12 -4.092 2.121 -7.921 79 2HG2 VAL 12 2HG2 VAL 12 -4.486 0.625 -8.797 80 3HG2 VAL 12 3HG2 VAL 12 -5.190 0.929 -7.203 81 H PHE 13 H PHE 13 -0.735 -1.651 -7.131 82 HA PHE 13 HA PHE 13 1.043 -0.492 -5.222 83 1HB PHE 13 1HB PHE 13 1.032 -3.207 -6.605 84 2HB PHE 13 2HB PHE 13 2.183 -2.738 -5.353 85 HD1 PHE 13 HD1 PHE 13 0.688 -1.363 -3.319 86 HD2 PHE 13 HD2 PHE 13 -0.342 -4.871 -5.617 87 HE1 PHE 13 HE1 PHE 13 -0.730 -2.125 -1.513 88 HE2 PHE 13 HE2 PHE 13 -1.696 -5.706 -3.701 89 HZ PHE 13 HZ PHE 13 -1.816 -4.367 -1.607 90 H LYS 14 H LYS 14 1.520 -1.438 -8.628 91 HA LYS 14 HA LYS 14 4.264 -1.009 -8.891 92 1HB LYS 14 1HB LYS 14 2.595 -1.864 -10.427 93 2HB LYS 14 2HB LYS 14 2.009 -0.245 -10.758 94 1HG LYS 14 1HG LYS 14 4.192 0.424 -11.696 95 2HG LYS 14 2HG LYS 14 4.960 -1.046 -11.174 96 1HD LYS 14 1HD LYS 14 3.711 -2.419 -12.734 97 2HD LYS 14 2HD LYS 14 2.451 -1.193 -12.926 98 1HE LYS 14 1HE LYS 14 3.759 -1.294 -14.917 99 2HE LYS 14 2HE LYS 14 3.960 0.278 -14.112 100 1HZ LYS 14 1HZ LYS 14 6.073 -0.555 -13.220 101 2HZ LYS 14 2HZ LYS 14 5.873 -1.980 -14.014 102 3HZ LYS 14 3HZ LYS 14 6.061 -0.581 -14.855 103 H GLU 15 H GLU 15 1.645 1.350 -8.847 104 HA GLU 15 HA GLU 15 3.242 3.561 -9.642 105 1HB GLU 15 1HB GLU 15 0.987 3.893 -7.624 106 2HB GLU 15 2HB GLU 15 1.526 5.053 -8.831 107 1HG GLU 15 1HG GLU 15 0.158 2.398 -9.396 108 2HG GLU 15 2HG GLU 15 -0.642 3.924 -9.304 109 H ILE 16 H ILE 16 2.646 2.298 -6.378 110 HA ILE 16 HA ILE 16 4.126 4.252 -4.930 111 HB ILE 16 HB ILE 16 3.357 1.337 -4.393 112 1HG1 ILE 16 1HG1 ILE 16 2.076 3.813 -3.189 113 2HG1 ILE 16 2HG1 ILE 16 1.435 3.095 -4.659 114 1HG2 ILE 16 1HG2 ILE 16 5.283 1.990 -2.999 115 2HG2 ILE 16 2HG2 ILE 16 4.349 3.371 -2.377 116 3HG2 ILE 16 3HG2 ILE 16 3.842 1.704 -2.038 117 1HD1 ILE 16 1HD1 ILE 16 1.639 1.622 -2.013 118 2HD1 ILE 16 2HD1 ILE 16 0.189 2.300 -2.748 119 3HD1 ILE 16 3HD1 ILE 16 1.025 0.971 -3.553 120 H GLU 17 H GLU 17 4.928 1.006 -6.252 121 HA GLU 17 HA GLU 17 7.683 0.930 -5.591 122 1HB GLU 17 1HB GLU 17 6.443 -1.014 -6.197 123 2HB GLU 17 2HB GLU 17 5.915 -0.354 -7.662 124 1HG GLU 17 1HG GLU 17 8.877 -0.656 -7.500 125 2HG GLU 17 2HG GLU 17 7.956 -2.154 -7.395 126 H LYS 18 H LYS 18 6.083 2.178 -8.457 127 HA LYS 18 HA LYS 18 8.381 2.593 -9.975 128 1HB LYS 18 1HB LYS 18 6.134 2.476 -10.867 129 2HB LYS 18 2HB LYS 18 5.673 3.983 -10.074 130 1HG LYS 18 1HG LYS 18 7.113 5.269 -11.531 131 2HG LYS 18 2HG LYS 18 7.877 3.789 -12.183 132 1HD LYS 18 1HD LYS 18 5.787 3.034 -13.135 133 2HD LYS 18 2HD LYS 18 4.886 4.306 -12.314 134 1HE LYS 18 1HE LYS 18 6.159 6.012 -13.668 135 2HE LYS 18 2HE LYS 18 6.880 4.676 -14.582 136 1HZ LYS 18 1HZ LYS 18 4.597 3.995 -15.169 137 2HZ LYS 18 2HZ LYS 18 3.983 5.243 -14.340 138 3HZ LYS 18 3HZ LYS 18 4.921 5.532 -15.680 139 H LYS 19 H LYS 19 6.400 4.833 -7.918 140 HA LYS 19 HA LYS 19 8.142 7.075 -8.158 141 1HB LYS 19 1HB LYS 19 5.866 7.313 -7.341 142 2HB LYS 19 2HB LYS 19 6.216 6.339 -5.921 143 1HG LYS 19 1HG LYS 19 6.144 8.753 -5.416 144 2HG LYS 19 2HG LYS 19 7.725 8.063 -5.048 145 1HD LYS 19 1HD LYS 19 8.600 9.042 -7.176 146 2HD LYS 19 2HD LYS 19 7.003 9.725 -7.492 147 1HE LYS 19 1HE LYS 19 7.213 11.046 -5.360 148 2HE LYS 19 2HE LYS 19 8.790 10.300 -5.091 149 1HZ LYS 19 1HZ LYS 19 9.496 11.370 -7.252 150 2HZ LYS 19 2HZ LYS 19 8.102 12.188 -7.281 151 3HZ LYS 19 3HZ LYS 19 9.173 12.405 -6.051 152 H LEU 20 H LEU 20 8.161 4.237 -5.895 153 HA LEU 20 HA LEU 20 10.171 5.222 -4.260 154 1HB LEU 20 1HB LEU 20 8.768 2.727 -4.674 155 2HB LEU 20 2HB LEU 20 10.452 2.377 -4.533 156 HG LEU 20 HG LEU 20 9.584 4.416 -2.538 157 1HD1 LEU 20 1HD1 LEU 20 7.457 3.333 -2.795 158 2HD1 LEU 20 2HD1 LEU 20 8.190 1.761 -2.414 159 3HD1 LEU 20 3HD1 LEU 20 8.171 3.054 -1.194 160 1HD2 LEU 20 1HD2 LEU 20 11.687 2.998 -2.640 161 2HD2 LEU 20 2HD2 LEU 20 10.919 3.220 -1.091 162 3HD2 LEU 20 3HD2 LEU 20 10.671 1.682 -1.964 163 H GLU 21 H GLU 21 10.500 3.487 -7.377 164 HA GLU 21 HA GLU 21 13.364 3.751 -7.296 165 1HB GLU 21 2HB GLU 21 13.293 3.339 -9.737 166 2HB GLU 21 1HB GLU 21 11.539 3.488 -9.678 167 1HG GLU 21 1HG GLU 21 11.495 1.552 -8.006 168 2HG GLU 21 2HG GLU 21 11.986 1.171 -9.648 169 H GLU 22 H GLU 22 10.847 5.943 -8.634 170 HA GLU 22 HA GLU 22 12.595 7.727 -9.943 171 1HB GLU 22 1HB GLU 22 9.897 8.209 -8.658 172 2HB GLU 22 2HB GLU 22 10.644 9.313 -9.774 173 1HG GLU 22 1HG GLU 22 10.299 6.532 -10.822 174 2HG GLU 22 2HG GLU 22 8.808 7.362 -10.417 175 H GLU 23 H GLU 23 11.375 7.786 -6.568 176 HA GLU 23 HA GLU 23 13.528 9.323 -5.529 177 1HB GLU 23 1HB GLU 23 12.219 11.092 -6.636 178 2HB GLU 23 2HB GLU 23 10.772 10.560 -5.770 179 1HG GLU 23 1HG GLU 23 11.793 11.179 -3.643 180 2HG GLU 23 2HG GLU 23 13.323 11.485 -4.470 181 H GLY 24 H GLY 24 13.190 6.942 -4.707 182 1HA GLY 24 1HA GLY 24 11.073 6.396 -2.820 183 2HA GLY 24 2HA GLY 24 12.592 5.514 -2.992 184 H GLU 25 H GLU 25 14.184 8.005 -2.606 185 HA GLU 25 HA GLU 25 14.870 7.671 0.040 186 1HB GLU 25 1HB GLU 25 15.947 9.892 -0.094 187 2HB GLU 25 2HB GLU 25 16.342 8.838 -1.441 188 1HG GLU 25 1HG GLU 25 15.626 10.337 -2.947 189 2HG GLU 25 2HG GLU 25 14.071 10.532 -2.176 190 H GLN 26 H GLN 26 12.483 10.090 -1.197 191 HA GLN 26 HA GLN 26 12.074 11.190 1.437 192 1HB GLN 26 1HB GLN 26 11.763 12.187 -0.999 193 2HB GLN 26 2HB GLN 26 10.115 11.596 -0.739 194 1HG GLN 26 1HG GLN 26 10.368 12.725 1.648 195 2HG GLN 26 2HG GLN 26 11.780 13.528 0.954 196 2HE2 GLN 26 1HE2 GLN 26 11.328 14.733 -1.245 197 1HE2 GLN 26 2HE2 GLN 26 9.732 15.452 -1.325 198 H PHE 27 H PHE 27 10.817 8.386 -0.292 199 HA PHE 27 HA PHE 27 8.229 8.234 1.073 200 1HB PHE 27 1HB PHE 27 9.735 6.767 -1.072 201 2HB PHE 27 2HB PHE 27 8.800 5.773 0.002 202 HD1 PHE 27 HD1 PHE 27 8.046 9.175 -1.430 203 HD2 PHE 27 HD2 PHE 27 7.018 4.995 -1.302 204 HE1 PHE 27 HE1 PHE 27 6.188 9.588 -2.978 205 HE2 PHE 27 HE2 PHE 27 5.206 5.392 -2.941 206 HZ PHE 27 HZ PHE 27 4.746 7.674 -3.760 207 H VAL 28 H VAL 28 11.589 7.003 1.433 208 HA VAL 28 HA VAL 28 11.137 5.093 3.469 209 HB VAL 28 HB VAL 28 13.521 6.919 2.967 210 1HG1 VAL 28 1HG1 VAL 28 13.298 4.427 4.704 211 2HG1 VAL 28 2HG1 VAL 28 14.818 5.201 4.236 212 3HG1 VAL 28 3HG1 VAL 28 13.675 6.066 5.273 213 1HG2 VAL 28 1HG2 VAL 28 12.987 5.310 1.108 214 2HG2 VAL 28 2HG2 VAL 28 14.517 4.963 1.903 215 3HG2 VAL 28 3HG2 VAL 28 13.094 3.979 2.263 216 H LYS 29 H LYS 29 11.329 8.670 3.683 217 HA LYS 29 HA LYS 29 11.018 8.687 6.550 218 1HB LYS 29 1HB LYS 29 10.657 10.787 4.395 219 2HB LYS 29 2HB LYS 29 10.287 11.125 6.077 220 1HG LYS 29 1HG LYS 29 12.961 9.956 5.287 221 2HG LYS 29 2HG LYS 29 12.686 11.682 5.163 222 1HD LYS 29 1HD LYS 29 12.103 10.311 7.797 223 2HD LYS 29 2HD LYS 29 13.762 10.597 7.312 224 1HE LYS 29 1HE LYS 29 13.078 12.405 8.718 225 2HE LYS 29 2HE LYS 29 13.340 13.012 7.078 226 1HZ LYS 29 1HZ LYS 29 10.692 12.412 8.266 227 2HZ LYS 29 2HZ LYS 29 11.345 13.914 8.102 228 3HZ LYS 29 3HZ LYS 29 10.951 13.056 6.772 229 H LYS 30 H LYS 30 8.568 7.900 4.146 230 HA LYS 30 HA LYS 30 6.417 8.930 5.774 231 1HB LYS 30 1HB LYS 30 6.488 7.018 3.415 232 2HB LYS 30 2HB LYS 30 5.010 7.526 4.204 233 1HG LYS 30 1HG LYS 30 6.864 9.778 3.485 234 2HG LYS 30 2HG LYS 30 6.243 8.861 2.131 235 1HD LYS 30 1HD LYS 30 3.925 9.298 2.842 236 2HD LYS 30 2HD LYS 30 4.482 9.933 4.388 237 1HE LYS 30 1HE LYS 30 3.746 11.741 2.961 238 2HE LYS 30 2HE LYS 30 5.460 11.884 3.344 239 1HZ LYS 30 1HZ LYS 30 4.562 10.745 0.767 240 2HZ LYS 30 2HZ LYS 30 4.806 12.345 0.999 241 3HZ LYS 30 3HZ LYS 30 6.046 11.328 1.197 242 H ILE 31 H ILE 31 7.488 5.557 5.074 243 HA ILE 31 HA ILE 31 5.911 4.523 7.421 244 HB ILE 31 HB ILE 31 7.305 3.287 5.071 245 1HG1 ILE 31 1HG1 ILE 31 4.838 2.163 5.154 246 2HG1 ILE 31 2HG1 ILE 31 4.446 3.612 6.045 247 1HG2 ILE 31 1HG2 ILE 31 6.621 2.075 7.697 248 2HG2 ILE 31 2HG2 ILE 31 6.313 1.144 6.230 249 3HG2 ILE 31 3HG2 ILE 31 7.940 1.720 6.555 250 1HD1 ILE 31 1HD1 ILE 31 5.854 3.519 3.351 251 2HD1 ILE 31 2HD1 ILE 31 4.104 3.721 3.579 252 3HD1 ILE 31 3HD1 ILE 31 5.232 4.970 4.159 253 H GLY 32 H GLY 32 9.341 4.279 6.049 254 1HA GLY 32 1HA GLY 32 11.348 4.053 6.959 255 2HA GLY 32 2HA GLY 32 10.717 4.645 8.482 256 H GLY 33 H GLY 33 10.529 1.698 6.410 257 1HA GLY 33 1HA GLY 33 11.138 -0.173 8.423 258 2HA GLY 33 2HA GLY 33 9.377 -0.011 8.310 259 H ILE 34 H ILE 34 10.474 -2.370 7.701 260 HA ILE 34 HA ILE 34 10.034 -2.586 4.762 261 HB ILE 34 HB ILE 34 11.006 -4.732 6.713 262 1HG1 ILE 34 2HG1 ILE 34 12.274 -3.437 4.268 263 2HG1 ILE 34 1HG1 ILE 34 12.745 -5.027 4.801 264 1HG2 ILE 34 1HG2 ILE 34 9.268 -5.574 5.103 265 2HG2 ILE 34 2HG2 ILE 34 10.220 -4.924 3.761 266 3HG2 ILE 34 3HG2 ILE 34 10.846 -6.241 4.803 267 1HD1 ILE 34 1HD1 ILE 34 13.456 -4.132 6.980 268 2HD1 ILE 34 2HD1 ILE 34 14.325 -3.391 5.627 269 3HD1 ILE 34 3HD1 ILE 34 13.044 -2.485 6.442 270 H PHE 35 H PHE 35 7.917 -3.028 4.314 271 HA PHE 35 HA PHE 35 6.370 -4.421 6.423 272 1HB PHE 35 1HB PHE 35 4.428 -3.100 6.025 273 2HB PHE 35 2HB PHE 35 5.752 -2.076 6.540 274 HD1 PHE 35 HD1 PHE 35 3.712 -3.126 3.604 275 HD2 PHE 35 HD2 PHE 35 6.746 -0.432 4.963 276 HE1 PHE 35 HE1 PHE 35 3.157 -1.611 1.791 277 HE2 PHE 35 HE2 PHE 35 6.026 1.212 3.206 278 HZ PHE 35 HZ PHE 35 4.191 0.654 1.652 279 H ALA 36 H ALA 36 4.625 -5.623 5.647 280 HA ALA 36 HA ALA 36 4.622 -6.310 2.739 281 1HB ALA 36 2HB ALA 36 3.324 -8.362 3.691 282 2HB ALA 36 1HB ALA 36 3.983 -7.880 5.256 283 3HB ALA 36 3HB ALA 36 5.082 -8.295 3.934 284 H PHE 37 H PHE 37 2.405 -6.718 1.896 285 HA PHE 37 HA PHE 37 0.340 -4.877 3.069 286 1HB PHE 37 1HB PHE 37 1.639 -5.194 0.342 287 2HB PHE 37 2HB PHE 37 -0.072 -4.913 0.360 288 HD1 PHE 37 HD1 PHE 37 -0.011 -2.864 2.867 289 HD2 PHE 37 HD2 PHE 37 2.003 -3.250 -0.944 290 HE1 PHE 37 HE1 PHE 37 0.149 -0.447 2.700 291 HE2 PHE 37 HE2 PHE 37 2.170 -0.841 -1.106 292 HZ PHE 37 HZ PHE 37 1.203 0.639 0.707 293 H LYS 38 H LYS 38 -1.010 -6.571 4.030 294 HA LYS 38 HA LYS 38 -1.479 -8.945 2.368 295 1HB LYS 38 1HB LYS 38 -1.661 -8.298 5.196 296 2HB LYS 38 2HB LYS 38 -3.237 -8.854 4.665 297 1HG LYS 38 2HG LYS 38 -2.139 -10.861 3.682 298 2HG LYS 38 1HG LYS 38 -1.959 -10.751 5.437 299 1HD LYS 38 1HD LYS 38 0.199 -9.814 3.497 300 2HD LYS 38 2HD LYS 38 0.336 -10.042 5.255 301 1HE LYS 38 1HE LYS 38 0.146 -12.412 5.061 302 2HE LYS 38 2HE LYS 38 -0.450 -12.299 3.395 303 1HZ LYS 38 1HZ LYS 38 1.682 -11.449 2.726 304 2HZ LYS 38 2HZ LYS 38 2.325 -11.681 4.246 305 3HZ LYS 38 3HZ LYS 38 1.803 -12.942 3.320 306 H VAL 39 H VAL 39 -2.665 -8.611 0.650 307 HA VAL 39 HA VAL 39 -5.239 -7.136 0.956 308 HB VAL 39 HB VAL 39 -3.065 -6.996 -1.136 309 1HG1 VAL 39 1HG1 VAL 39 -6.007 -6.567 -1.676 310 2HG1 VAL 39 2HG1 VAL 39 -4.728 -5.813 -2.659 311 3HG1 VAL 39 3HG1 VAL 39 -4.889 -7.567 -2.604 312 1HG2 VAL 39 1HG2 VAL 39 -4.937 -5.055 0.302 313 2HG2 VAL 39 2HG2 VAL 39 -3.187 -5.256 0.555 314 3HG2 VAL 39 3HG2 VAL 39 -3.816 -4.587 -0.964 315 H LYS 40 H LYS 40 -6.692 -8.645 1.205 316 HA LYS 40 HA LYS 40 -6.722 -11.054 -0.566 317 1HB LYS 40 1HB LYS 40 -8.814 -11.581 0.874 318 2HB LYS 40 2HB LYS 40 -7.253 -11.805 1.562 319 1HG LYS 40 1HG LYS 40 -7.410 -9.775 2.886 320 2HG LYS 40 2HG LYS 40 -8.892 -9.276 2.058 321 1HD LYS 40 1HD LYS 40 -8.639 -11.846 3.658 322 2HD LYS 40 2HD LYS 40 -9.160 -10.327 4.375 323 1HE LYS 40 1HE LYS 40 -10.623 -11.648 2.033 324 2HE LYS 40 2HE LYS 40 -10.962 -11.992 3.721 325 1HZ LYS 40 1HZ LYS 40 -11.233 -9.425 3.870 326 2HZ LYS 40 2HZ LYS 40 -11.629 -9.540 2.264 327 3HZ LYS 40 3HZ LYS 40 -12.443 -10.387 3.384 328 H ASP 41 H ASP 41 -9.336 -11.361 -0.984 329 HA ASP 41 HA ASP 41 -11.326 -10.529 -1.794 330 1HB ASP 41 1HB ASP 41 -10.918 -9.994 0.599 331 2HB ASP 41 2HB ASP 41 -10.438 -8.372 0.171 332 H GLY 42 H GLY 42 -9.757 -10.184 -3.680 333 1HA GLY 42 1HA GLY 42 -10.517 -7.634 -4.988 334 2HA GLY 42 2HA GLY 42 -8.949 -8.412 -5.305 335 HA PRO 43 HA PRO 43 -12.284 -9.818 -8.223 336 1HB PRO 43 1HB PRO 43 -10.898 -9.769 -10.581 337 2HB PRO 43 2HB PRO 43 -11.528 -8.301 -9.783 338 1HG PRO 43 2HG PRO 43 -9.197 -7.754 -9.965 339 2HG PRO 43 1HG PRO 43 -8.723 -9.450 -9.646 340 1HD PRO 43 1HD PRO 43 -8.457 -8.621 -7.484 341 2HD PRO 43 2HD PRO 43 -9.700 -7.365 -7.705 342 H GLY 44 H GLY 44 -12.243 -11.831 -7.058 343 1HA GLY 44 1HA GLY 44 -12.150 -14.209 -7.994 344 2HA GLY 44 2HA GLY 44 -10.405 -13.961 -8.038 345 H GLY 45 H GLY 45 -10.494 -12.352 -5.354 346 1HA GLY 45 1HA GLY 45 -11.071 -12.662 -3.114 347 2HA GLY 45 2HA GLY 45 -11.904 -14.170 -3.516 348 H LYS 46 H LYS 46 -8.714 -13.581 -4.755 349 HA LYS 46 HA LYS 46 -7.413 -15.675 -3.109 350 1HB LYS 46 1HB LYS 46 -6.675 -13.926 -5.447 351 2HB LYS 46 2HB LYS 46 -5.462 -14.974 -4.664 352 1HG LYS 46 1HG LYS 46 -6.709 -16.966 -5.156 353 2HG LYS 46 2HG LYS 46 -8.069 -16.043 -5.807 354 1HD LYS 46 1HD LYS 46 -6.694 -15.257 -7.682 355 2HD LYS 46 2HD LYS 46 -5.287 -16.160 -7.061 356 1HE LYS 46 1HE LYS 46 -6.347 -18.258 -7.350 357 2HE LYS 46 2HE LYS 46 -7.950 -17.547 -7.476 358 1HZ LYS 46 1HZ LYS 46 -5.882 -17.312 -9.571 359 2HZ LYS 46 2HZ LYS 46 -7.140 -18.366 -9.539 360 3HZ LYS 46 3HZ LYS 46 -7.424 -16.746 -9.650 361 H GLU 47 H GLU 47 -4.906 -14.534 -2.783 362 HA GLU 47 HA GLU 47 -5.279 -11.921 -1.556 363 1HB GLU 47 1HB GLU 47 -5.474 -13.526 0.329 364 2HB GLU 47 2HB GLU 47 -3.907 -14.231 -0.113 365 1HG GLU 47 1HG GLU 47 -2.771 -12.159 0.329 366 2HG GLU 47 2HG GLU 47 -4.302 -11.312 0.570 367 H ALA 48 H ALA 48 -3.538 -10.600 -1.767 368 HA ALA 48 HA ALA 48 -1.261 -11.407 -3.516 369 1HB ALA 48 1HB ALA 48 -2.558 -8.723 -2.779 370 2HB ALA 48 3HB ALA 48 -2.596 -9.499 -4.369 371 3HB ALA 48 2HB ALA 48 -1.070 -8.879 -3.714 372 H THR 49 H THR 49 0.863 -10.520 -2.679 373 HA THR 49 HA THR 49 0.585 -8.664 -0.516 374 HB THR 49 HB THR 49 2.649 -10.886 -0.205 375 HG1 THR 49 HG1 THR 49 0.280 -11.151 0.459 376 1HG2 THR 49 1HG2 THR 49 1.970 -8.449 1.513 377 2HG2 THR 49 2HG2 THR 49 3.138 -9.723 1.947 378 3HG2 THR 49 3HG2 THR 49 3.461 -8.661 0.587 379 H TRP 50 H TRP 50 2.040 -6.946 -0.913 380 HA TRP 50 HA TRP 50 4.322 -7.365 -2.808 381 1HB TRP 50 1HB TRP 50 2.305 -5.134 -2.457 382 2HB TRP 50 2HB TRP 50 3.981 -4.649 -2.545 383 HD1 TRP 50 HD1 TRP 50 4.658 -3.921 -4.894 384 HE1 TRP 50 HE1 TRP 50 3.740 -4.269 -7.303 385 HE3 TRP 50 HE3 TRP 50 1.072 -7.379 -3.884 386 HZ2 TRP 50 HZ2 TRP 50 1.925 -6.040 -8.603 387 HZ3 TRP 50 HZ3 TRP 50 -0.307 -8.350 -5.764 388 HH2 TRP 50 HH2 TRP 50 0.161 -7.705 -8.084 389 H VAL 51 H VAL 51 6.381 -6.821 -1.706 390 HA VAL 51 HA VAL 51 6.124 -5.938 1.127 391 HB VAL 51 HB VAL 51 8.396 -7.431 -0.218 392 1HG1 VAL 51 1HG1 VAL 51 9.208 -5.927 1.571 393 2HG1 VAL 51 2HG1 VAL 51 8.040 -6.640 2.700 394 3HG1 VAL 51 3HG1 VAL 51 9.360 -7.617 2.048 395 1HG2 VAL 51 1HG2 VAL 51 6.389 -8.526 1.755 396 2HG2 VAL 51 2HG2 VAL 51 6.570 -8.977 0.040 397 3HG2 VAL 51 3HG2 VAL 51 7.856 -9.340 1.170 398 H VAL 52 H VAL 52 7.260 -4.040 1.679 399 HA VAL 52 HA VAL 52 8.421 -2.446 -0.566 400 HB VAL 52 HB VAL 52 6.437 -1.588 1.551 401 1HG1 VAL 52 1HG1 VAL 52 7.971 0.255 0.947 402 2HG1 VAL 52 2HG1 VAL 52 7.564 0.076 -0.751 403 3HG1 VAL 52 3HG1 VAL 52 6.333 0.598 0.399 404 1HG2 VAL 52 1HG2 VAL 52 6.012 -1.953 -1.443 405 2HG2 VAL 52 2HG2 VAL 52 5.229 -2.863 -0.133 406 3HG2 VAL 52 3HG2 VAL 52 4.863 -1.155 -0.354 407 H ASP 53 H ASP 53 10.515 -2.088 -0.028 408 HA ASP 53 HA ASP 53 11.392 -2.502 2.704 409 1HB ASP 53 1HB ASP 53 12.295 -3.427 0.355 410 2HB ASP 53 2HB ASP 53 13.295 -2.018 0.410 411 H VAL 54 H VAL 54 10.095 -0.105 2.684 412 HA VAL 54 HA VAL 54 11.831 2.131 1.956 413 HB VAL 54 HB VAL 54 9.916 3.446 3.116 414 1HG1 VAL 54 1HG1 VAL 54 9.575 1.875 0.576 415 2HG1 VAL 54 2HG1 VAL 54 8.437 3.136 1.130 416 3HG1 VAL 54 3HG1 VAL 54 10.121 3.554 0.839 417 1HG2 VAL 54 1HG2 VAL 54 8.517 0.747 2.970 418 2HG2 VAL 54 2HG2 VAL 54 8.883 1.702 4.408 419 3HG2 VAL 54 3HG2 VAL 54 7.779 2.341 3.179 420 H LYS 55 H LYS 55 13.457 0.946 3.395 421 HA LYS 55 HA LYS 55 13.775 2.545 5.859 422 1HB LYS 55 1HB LYS 55 12.703 0.173 6.328 423 2HB LYS 55 2HB LYS 55 14.316 -0.446 6.006 424 1HG LYS 55 1HG LYS 55 15.170 1.198 7.785 425 2HG LYS 55 2HG LYS 55 13.469 1.587 8.101 426 1HD LYS 55 1HD LYS 55 13.134 -0.961 8.481 427 2HD LYS 55 2HD LYS 55 14.885 -1.087 8.459 428 1HE LYS 55 2HE LYS 55 15.011 0.550 10.343 429 2HE LYS 55 1HE LYS 55 14.161 -0.945 10.748 430 1HZ LYS 55 1HZ LYS 55 12.052 0.262 10.454 431 2HZ LYS 55 2HZ LYS 55 12.972 0.891 11.621 432 3HZ LYS 55 3HZ LYS 55 12.858 1.660 10.171 433 H ASN 56 H ASN 56 15.066 0.054 3.616 434 HA ASN 56 HA ASN 56 17.863 0.547 4.416 435 1HB ASN 56 1HB ASN 56 16.356 -1.220 2.439 436 2HB ASN 56 2HB ASN 56 18.035 -0.917 2.194 437 2HD2 ASN 56 1HD2 ASN 56 15.877 -2.866 3.875 438 1HD2 ASN 56 2HD2 ASN 56 17.060 -3.678 4.905 439 H GLY 57 H GLY 57 19.306 1.809 3.123 440 1HA GLY 57 1HA GLY 57 19.921 3.375 1.557 441 2HA GLY 57 2HA GLY 57 19.159 2.264 0.432 442 H LYS 58 H LYS 58 17.884 3.349 -0.915 443 HA LYS 58 HA LYS 58 16.324 5.697 -0.013 444 1HB LYS 58 1HB LYS 58 16.267 4.787 -2.830 445 2HB LYS 58 2HB LYS 58 16.160 6.414 -2.182 446 1HG LYS 58 1HG LYS 58 18.630 6.339 -1.792 447 2HG LYS 58 2HG LYS 58 18.684 4.742 -2.570 448 1HD LYS 58 1HD LYS 58 17.795 7.367 -3.819 449 2HD LYS 58 2HD LYS 58 19.307 6.536 -4.161 450 1HE LYS 58 1HE LYS 58 16.549 5.347 -4.730 451 2HE LYS 58 2HE LYS 58 17.427 6.323 -5.887 452 1HZ LYS 58 1HZ LYS 58 18.624 3.857 -4.796 453 2HZ LYS 58 2HZ LYS 58 17.677 3.897 -6.143 454 3HZ LYS 58 3HZ LYS 58 19.076 4.781 -6.100 455 H GLY 59 H GLY 59 15.904 2.349 0.064 456 1HA GLY 59 1HA GLY 59 14.008 1.192 0.221 457 2HA GLY 59 2HA GLY 59 13.046 2.621 -0.171 458 H SER 60 H SER 60 12.687 0.017 -1.182 459 HA SER 60 HA SER 60 11.988 0.573 -3.811 460 1HB SER 60 1HB SER 60 14.167 -1.534 -3.378 461 2HB SER 60 2HB SER 60 13.137 -1.551 -4.788 462 HG SER 60 HG SER 60 13.979 0.563 -5.377 463 H VAL 61 H VAL 61 10.892 -1.450 -4.753 464 HA VAL 61 HA VAL 61 9.394 -2.798 -2.570 465 HB VAL 61 HB VAL 61 8.578 -1.918 -5.343 466 1HG1 VAL 61 1HG1 VAL 61 6.875 -3.298 -3.226 467 2HG1 VAL 61 2HG1 VAL 61 6.228 -2.490 -4.645 468 3HG1 VAL 61 3HG1 VAL 61 7.249 -3.903 -4.860 469 1HG2 VAL 61 1HG2 VAL 61 7.837 -0.893 -2.608 470 2HG2 VAL 61 2HG2 VAL 61 8.684 -0.016 -3.906 471 3HG2 VAL 61 3HG2 VAL 61 6.973 -0.434 -4.081 472 H LEU 62 H LEU 62 8.588 -4.818 -2.998 473 HA LEU 62 HA LEU 62 10.353 -6.659 -4.517 474 1HB LEU 62 1HB LEU 62 9.631 -6.590 -1.581 475 2HB LEU 62 2HB LEU 62 10.666 -7.801 -2.328 476 HG LEU 62 HG LEU 62 11.387 -4.828 -2.170 477 1HD1 LEU 62 1HD1 LEU 62 11.794 -6.983 -0.103 478 2HD1 LEU 62 2HD1 LEU 62 12.743 -5.487 -0.191 479 3HD1 LEU 62 3HD1 LEU 62 11.001 -5.411 0.058 480 1HD2 LEU 62 1HD2 LEU 62 12.673 -6.215 -3.776 481 2HD2 LEU 62 2HD2 LEU 62 13.657 -5.589 -2.455 482 3HD2 LEU 62 3HD2 LEU 62 13.119 -7.297 -2.433 483 HA PRO 63 HA PRO 63 5.698 -7.198 -4.683 484 1HB PRO 63 1HB PRO 63 5.498 -8.118 -7.274 485 2HB PRO 63 2HB PRO 63 5.587 -6.388 -6.827 486 1HG PRO 63 1HG PRO 63 7.841 -8.168 -7.748 487 2HG PRO 63 2HG PRO 63 7.424 -6.518 -8.313 488 1HD PRO 63 1HD PRO 63 9.359 -6.928 -6.450 489 2HD PRO 63 2HD PRO 63 8.260 -5.525 -6.338 490 H ASN 64 H ASN 64 4.562 -9.129 -4.252 491 HA ASN 64 HA ASN 64 4.310 -11.181 -3.458 492 1HB ASN 64 2HB ASN 64 4.311 -12.798 -5.111 493 2HB ASN 64 1HB ASN 64 5.786 -12.200 -5.874 494 2HD2 ASN 64 1HD2 ASN 64 5.375 -11.381 -7.881 495 1HD2 ASN 64 2HD2 ASN 64 3.922 -10.535 -8.284 496 H SER 65 H SER 65 6.992 -9.945 -2.695 497 HA SER 65 HA SER 65 8.855 -12.029 -3.007 498 1HB SER 65 1HB SER 65 9.377 -9.604 -2.898 499 2HB SER 65 2HB SER 65 9.049 -9.632 -1.150 500 HG SER 65 HG SER 65 11.148 -10.713 -2.642 501 H ASP 66 H ASP 66 9.754 -13.406 -1.662 502 HA ASP 66 HA ASP 66 8.534 -14.209 0.906 503 1HB ASP 66 1HB ASP 66 10.620 -15.353 -0.940 504 2HB ASP 66 2HB ASP 66 10.778 -15.746 0.763 505 H LYS 67 H LYS 67 10.362 -11.548 0.138 506 HA LYS 67 HA LYS 67 12.139 -11.580 2.372 507 1HB LYS 67 1HB LYS 67 10.665 -9.400 0.873 508 2HB LYS 67 2HB LYS 67 11.675 -9.061 2.270 509 1HG LYS 67 1HG LYS 67 12.873 -10.690 0.014 510 2HG LYS 67 2HG LYS 67 12.633 -8.982 -0.236 511 1HD LYS 67 1HD LYS 67 14.800 -9.117 0.484 512 2HD LYS 67 2HD LYS 67 13.973 -8.546 1.915 513 1HE LYS 67 1HE LYS 67 14.523 -11.507 1.449 514 2HE LYS 67 2HE LYS 67 15.791 -10.451 2.019 515 1HZ LYS 67 1HZ LYS 67 13.804 -9.909 3.754 516 2HZ LYS 67 2HZ LYS 67 13.718 -11.584 3.532 517 3HZ LYS 67 3HZ LYS 67 15.095 -10.860 4.002 518 H LYS 68 H LYS 68 11.752 -11.368 4.500 519 HA LYS 68 HA LYS 68 9.143 -11.368 5.663 520 1HB LYS 68 2HB LYS 68 11.210 -12.393 6.642 521 2HB LYS 68 1HB LYS 68 10.313 -11.373 7.743 522 1HG LYS 68 1HG LYS 68 12.665 -10.264 6.210 523 2HG LYS 68 2HG LYS 68 11.927 -9.642 7.687 524 1HD LYS 68 1HD LYS 68 12.798 -11.561 8.967 525 2HD LYS 68 2HD LYS 68 13.479 -12.258 7.475 526 1HE LYS 68 1HE LYS 68 14.865 -10.214 7.164 527 2HE LYS 68 2HE LYS 68 14.243 -9.563 8.680 528 1HZ LYS 68 1HZ LYS 68 15.764 -12.091 8.485 529 2HZ LYS 68 2HZ LYS 68 16.421 -10.630 8.855 530 3HZ LYS 68 3HZ LYS 68 15.311 -11.311 9.869 531 H ALA 69 H ALA 69 9.298 -9.564 7.688 532 HA ALA 69 HA ALA 69 9.757 -6.905 6.731 533 1HB ALA 69 3HB ALA 69 7.548 -7.313 5.643 534 2HB ALA 69 1HB ALA 69 6.873 -7.849 7.203 535 3HB ALA 69 2HB ALA 69 7.381 -6.172 6.990 536 H ASP 70 H ASP 70 9.182 -5.247 8.503 537 HA ASP 70 HA ASP 70 9.320 -6.437 11.152 538 1HB ASP 70 1HB ASP 70 9.265 -4.244 11.934 539 2HB ASP 70 2HB ASP 70 10.599 -4.474 10.853 540 H CYS 71 H CYS 71 6.983 -4.571 9.115 541 HA CYS 71 HA CYS 71 4.800 -5.708 10.812 542 1HB CYS 71 1HB CYS 71 5.275 -2.828 10.000 543 2HB CYS 71 2HB CYS 71 3.748 -3.408 10.681 544 H THR 72 H THR 72 2.571 -4.696 9.614 545 HA THR 72 HA THR 72 2.645 -5.115 6.777 546 HB THR 72 HB THR 72 1.096 -7.151 8.423 547 HG1 THR 72 HG1 THR 72 3.530 -7.337 8.316 548 1HG2 THR 72 1HG2 THR 72 0.773 -6.506 5.659 549 2HG2 THR 72 2HG2 THR 72 1.743 -7.943 5.651 550 3HG2 THR 72 3HG2 THR 72 0.211 -7.950 6.507 551 H ILE 73 H ILE 73 -0.152 -5.477 6.470 552 HA ILE 73 HA ILE 73 -1.606 -4.182 8.520 553 HB ILE 73 HB ILE 73 -0.643 -2.348 6.867 554 1HG1 ILE 73 1HG1 ILE 73 -3.549 -2.448 7.668 555 2HG1 ILE 73 2HG1 ILE 73 -2.169 -2.046 8.703 556 1HG2 ILE 73 1HG2 ILE 73 -1.369 -3.604 4.802 557 2HG2 ILE 73 2HG2 ILE 73 -3.051 -3.214 5.217 558 3HG2 ILE 73 3HG2 ILE 73 -1.894 -1.911 4.882 559 1HD1 ILE 73 1HD1 ILE 73 -1.636 -0.115 7.212 560 2HD1 ILE 73 2HD1 ILE 73 -3.110 -0.446 6.284 561 3HD1 ILE 73 3HD1 ILE 73 -3.226 0.010 7.994 562 H THR 74 H THR 74 -3.990 -4.580 8.040 563 HA THR 74 HA THR 74 -4.496 -6.369 5.648 564 HB THR 74 HB THR 74 -5.940 -6.299 8.326 565 HG1 THR 74 HG1 THR 74 -4.469 -7.661 8.768 566 1HG2 THR 74 1HG2 THR 74 -6.591 -8.057 5.919 567 2HG2 THR 74 2HG2 THR 74 -7.342 -8.161 7.541 568 3HG2 THR 74 3HG2 THR 74 -7.589 -6.742 6.566 569 H MET 75 H MET 75 -5.951 -5.544 4.247 570 HA MET 75 HA MET 75 -8.324 -4.355 5.451 571 1HB MET 75 1HB MET 75 -6.764 -2.939 3.265 572 2HB MET 75 2HB MET 75 -8.504 -2.784 3.403 573 1HG MET 75 1HG MET 75 -7.813 -0.927 4.444 574 2HG MET 75 2HG MET 75 -8.157 -2.009 5.801 575 1HE MET 75 1HE MET 75 -6.997 -0.134 7.274 576 2HE MET 75 2HE MET 75 -5.354 0.477 6.991 577 3HE MET 75 3HE MET 75 -6.641 0.827 5.819 578 H ALA 76 H ALA 76 -7.753 -4.269 2.000 579 HA ALA 76 HA ALA 76 -8.432 -6.837 1.056 580 1HB ALA 76 3HB ALA 76 -10.665 -6.527 2.023 581 2HB ALA 76 1HB ALA 76 -10.729 -4.839 1.446 582 3HB ALA 76 2HB ALA 76 -10.788 -6.171 0.292 583 H ASP 77 H ASP 77 -8.503 -6.659 -1.324 584 HA ASP 77 HA ASP 77 -7.099 -4.536 -2.604 585 1HB ASP 77 1HB ASP 77 -7.603 -6.951 -3.390 586 2HB ASP 77 2HB ASP 77 -9.156 -6.361 -3.852 587 H SER 78 H SER 78 -10.419 -5.359 -2.265 588 HA SER 78 HA SER 78 -11.581 -3.505 -4.012 589 1HB SER 78 1HB SER 78 -13.724 -3.961 -2.757 590 2HB SER 78 2HB SER 78 -12.797 -5.451 -2.995 591 HG SER 78 HG SER 78 -13.341 -5.479 -0.864 592 H ASP 79 H ASP 79 -10.228 -2.941 -1.000 593 HA ASP 79 HA ASP 79 -11.298 -0.108 -0.869 594 1HB ASP 79 1HB ASP 79 -11.828 -1.250 1.102 595 2HB ASP 79 2HB ASP 79 -10.235 -1.992 1.228 596 H PHE 80 H PHE 80 -8.307 -2.116 -0.734 597 HA PHE 80 HA PHE 80 -6.398 -0.088 -0.541 598 1HB PHE 80 1HB PHE 80 -6.410 -2.923 -1.280 599 2HB PHE 80 2HB PHE 80 -5.266 -2.034 -2.232 600 HD1 PHE 80 HD1 PHE 80 -6.346 -2.073 1.364 601 HD2 PHE 80 HD2 PHE 80 -3.110 -1.946 -1.448 602 HE1 PHE 80 HE1 PHE 80 -4.684 -2.392 3.236 603 HE2 PHE 80 HE2 PHE 80 -1.494 -2.298 0.402 604 HZ PHE 80 HZ PHE 80 -2.282 -2.619 2.720 605 H LEU 81 H LEU 81 -7.692 -1.616 -3.565 606 HA LEU 81 HA LEU 81 -6.252 0.088 -5.380 607 1HB LEU 81 1HB LEU 81 -7.376 -2.004 -5.985 608 2HB LEU 81 2HB LEU 81 -8.941 -1.312 -5.644 609 HG LEU 81 HG LEU 81 -7.549 0.518 -7.400 610 1HD1 LEU 81 1HD1 LEU 81 -7.467 -2.292 -8.415 611 2HD1 LEU 81 2HD1 LEU 81 -7.162 -0.823 -9.378 612 3HD1 LEU 81 3HD1 LEU 81 -6.086 -1.245 -8.046 613 1HD2 LEU 81 1HD2 LEU 81 -9.969 -1.255 -7.731 614 2HD2 LEU 81 2HD2 LEU 81 -9.928 0.464 -7.336 615 3HD2 LEU 81 3HD2 LEU 81 -9.452 -0.077 -8.955 616 H ALA 82 H ALA 82 -9.491 0.099 -4.096 617 HA ALA 82 HA ALA 82 -10.433 2.359 -5.499 618 1HB ALA 82 3HB ALA 82 -12.442 2.160 -4.170 619 2HB ALA 82 1HB ALA 82 -11.843 0.555 -4.619 620 3HB ALA 82 2HB ALA 82 -11.584 1.173 -2.966 621 H LEU 83 H LEU 83 -8.570 2.368 -2.575 622 HA LEU 83 HA LEU 83 -9.187 4.939 -1.543 623 1HB LEU 83 1HB LEU 83 -6.744 3.145 -1.577 624 2HB LEU 83 2HB LEU 83 -6.542 4.802 -1.032 625 HG LEU 83 HG LEU 83 -8.748 3.126 0.135 626 1HD1 LEU 83 1HD1 LEU 83 -5.853 3.014 0.992 627 2HD1 LEU 83 2HD1 LEU 83 -7.235 2.455 1.984 628 3HD1 LEU 83 3HD1 LEU 83 -6.888 1.695 0.439 629 1HD2 LEU 83 1HD2 LEU 83 -8.488 5.661 0.509 630 2HD2 LEU 83 2HD2 LEU 83 -8.595 4.666 1.964 631 3HD2 LEU 83 3HD2 LEU 83 -7.016 5.282 1.412 632 H MET 84 H MET 84 -6.263 4.256 -3.485 633 HA MET 84 HA MET 84 -6.066 6.963 -4.372 634 1HB MET 84 1HB MET 84 -4.386 5.969 -5.983 635 2HB MET 84 2HB MET 84 -4.088 5.822 -4.258 636 1HG MET 84 1HG MET 84 -5.353 3.492 -5.597 637 2HG MET 84 2HG MET 84 -3.651 3.829 -5.927 638 1HE MET 84 1HE MET 84 -1.819 4.105 -4.378 639 2HE MET 84 2HE MET 84 -1.791 3.621 -2.664 640 3HE MET 84 3HE MET 84 -1.726 2.405 -3.922 641 H THR 85 H THR 85 -7.595 4.097 -5.855 642 HA THR 85 HA THR 85 -8.064 5.451 -8.361 643 HB THR 85 HB THR 85 -9.363 2.955 -7.220 644 HG1 THR 85 HG1 THR 85 -7.257 2.575 -7.135 645 1HG2 THR 85 1HG2 THR 85 -10.366 3.726 -9.368 646 2HG2 THR 85 2HG2 THR 85 -8.743 3.687 -10.101 647 3HG2 THR 85 3HG2 THR 85 -9.497 2.193 -9.514 648 H GLY 86 H GLY 86 -9.590 5.708 -5.186 649 1HA GLY 86 1HA GLY 86 -10.652 7.554 -4.598 650 2HA GLY 86 2HA GLY 86 -10.771 8.036 -6.296 651 H LYS 87 H LYS 87 -12.107 4.977 -5.242 652 HA LYS 87 HA LYS 87 -14.726 6.049 -6.214 653 1HB LYS 87 1HB LYS 87 -13.609 4.203 -7.459 654 2HB LYS 87 2HB LYS 87 -13.874 3.134 -6.087 655 1HG LYS 87 1HG LYS 87 -16.379 4.492 -6.809 656 2HG LYS 87 2HG LYS 87 -15.642 3.787 -8.252 657 1HD LYS 87 1HD LYS 87 -15.514 1.594 -7.168 658 2HD LYS 87 2HD LYS 87 -16.182 2.265 -5.665 659 1HE LYS 87 1HE LYS 87 -18.298 2.802 -6.772 660 2HE LYS 87 2HE LYS 87 -17.620 2.364 -8.345 661 1HZ LYS 87 1HZ LYS 87 -17.418 0.110 -7.620 662 2HZ LYS 87 2HZ LYS 87 -18.056 0.457 -6.122 663 3HZ LYS 87 3HZ LYS 87 -18.975 0.601 -7.474 664 H MET 88 H MET 88 -13.603 3.625 -3.786 665 HA MET 88 HA MET 88 -15.571 4.483 -1.845 666 1HB MET 88 1HB MET 88 -16.018 1.884 -3.384 667 2HB MET 88 2HB MET 88 -16.507 2.081 -1.699 668 1HG MET 88 1HG MET 88 -17.696 4.227 -2.452 669 2HG MET 88 2HG MET 88 -17.588 3.567 -4.087 670 1HE MET 88 1HE MET 88 -20.024 4.399 -2.036 671 2HE MET 88 2HE MET 88 -20.362 4.013 -3.739 672 3HE MET 88 3HE MET 88 -21.273 3.211 -2.439 673 H ASN 89 H ASN 89 -14.046 4.626 -0.361 674 HA ASN 89 HA ASN 89 -12.609 2.172 0.481 675 1HB ASN 89 1HB ASN 89 -10.655 3.648 0.923 676 2HB ASN 89 2HB ASN 89 -11.010 3.400 -0.784 677 2HD2 ASN 89 1HD2 ASN 89 -10.938 5.796 1.810 678 1HD2 ASN 89 2HD2 ASN 89 -11.321 7.175 0.795 679 HA PRO 90 HA PRO 90 -14.995 4.651 3.775 680 1HB PRO 90 1HB PRO 90 -16.671 2.660 4.662 681 2HB PRO 90 2HB PRO 90 -17.077 3.703 3.268 682 1HG PRO 90 1HG PRO 90 -15.846 0.935 3.209 683 2HG PRO 90 2HG PRO 90 -17.234 1.555 2.251 684 1HD PRO 90 1HD PRO 90 -14.741 1.471 1.214 685 2HD PRO 90 2HD PRO 90 -15.853 2.833 0.872 686 H GLN 91 H GLN 91 -14.555 4.474 5.985 687 HA GLN 91 HA GLN 91 -12.148 3.809 6.869 688 1HB GLN 91 1HB GLN 91 -14.817 3.902 8.285 689 2HB GLN 91 2HB GLN 91 -13.464 3.328 9.197 690 1HG GLN 91 2HG GLN 91 -12.235 5.508 8.484 691 2HG GLN 91 1HG GLN 91 -13.412 5.508 9.793 692 2HE2 GLN 91 1HE2 GLN 91 -14.771 7.321 9.710 693 1HE2 GLN 91 2HE2 GLN 91 -15.368 8.023 8.241 694 H SER 92 H SER 92 -11.197 1.801 6.109 695 HA SER 92 HA SER 92 -12.704 -0.549 6.081 696 1HB SER 92 1HB SER 92 -10.260 -1.489 5.510 697 2HB SER 92 2HB SER 92 -11.213 -0.551 4.391 698 HG SER 92 HG SER 92 -9.382 0.362 4.256 699 H ALA 93 H ALA 93 -9.368 -0.940 7.534 700 HA ALA 93 HA ALA 93 -10.451 -2.746 9.431 701 1HB ALA 93 2HB ALA 93 -7.792 -1.203 9.476 702 2HB ALA 93 3HB ALA 93 -8.226 -2.654 10.405 703 3HB ALA 93 1HB ALA 93 -8.075 -2.744 8.650 704 H PHE 94 H PHE 94 -10.298 0.703 9.344 705 HA PHE 94 HA PHE 94 -10.159 1.348 12.086 706 1HB PHE 94 1HB PHE 94 -9.759 2.766 10.000 707 2HB PHE 94 2HB PHE 94 -11.481 2.913 9.830 708 HD1 PHE 94 HD1 PHE 94 -12.740 3.842 12.133 709 HD2 PHE 94 HD2 PHE 94 -8.606 4.421 11.045 710 HE1 PHE 94 HE1 PHE 94 -12.591 5.777 13.665 711 HE2 PHE 94 HE2 PHE 94 -8.482 6.389 12.548 712 HZ PHE 94 HZ PHE 94 -10.451 7.035 13.885 713 H PHE 95 H PHE 95 -13.082 0.905 9.901 714 HA PHE 95 HA PHE 95 -14.882 1.081 12.217 715 1HB PHE 95 1HB PHE 95 -15.616 1.809 9.940 716 2HB PHE 95 2HB PHE 95 -15.327 0.182 9.343 717 HD1 PHE 95 HD1 PHE 95 -17.540 2.106 11.718 718 HD2 PHE 95 HD2 PHE 95 -16.968 -1.473 9.358 719 HE1 PHE 95 HE1 PHE 95 -19.861 1.427 12.166 720 HE2 PHE 95 HE2 PHE 95 -19.316 -2.115 9.800 721 HZ PHE 95 HZ PHE 95 -20.763 -0.680 11.206 722 H GLN 96 H GLN 96 -13.667 -1.424 9.965 723 HA GLN 96 HA GLN 96 -15.381 -3.378 11.014 724 1HB GLN 96 1HB GLN 96 -12.903 -3.496 9.217 725 2HB GLN 96 2HB GLN 96 -13.728 -4.913 9.766 726 1HG GLN 96 1HG GLN 96 -15.927 -3.712 8.866 727 2HG GLN 96 2HG GLN 96 -14.750 -2.844 7.864 728 2HE2 GLN 96 1HE2 GLN 96 -14.479 -3.914 5.874 729 1HE2 GLN 96 2HE2 GLN 96 -14.607 -5.652 5.678 730 H GLY 97 H GLY 97 -12.112 -2.534 12.193 731 1HA GLY 97 1HA GLY 97 -10.905 -3.413 13.906 732 2HA GLY 97 2HA GLY 97 -12.416 -4.139 14.471 733 H LYS 98 H LYS 98 -11.054 -5.064 11.315 734 HA LYS 98 HA LYS 98 -11.115 -7.828 12.040 735 1HB LYS 98 1HB LYS 98 -10.046 -6.313 9.628 736 2HB LYS 98 2HB LYS 98 -9.904 -8.071 9.755 737 1HG LYS 98 1HG LYS 98 -12.580 -6.704 10.117 738 2HG LYS 98 2HG LYS 98 -11.940 -7.046 8.508 739 1HD LYS 98 1HD LYS 98 -11.801 -9.461 9.063 740 2HD LYS 98 2HD LYS 98 -12.390 -9.112 10.707 741 1HE LYS 98 1HE LYS 98 -14.462 -8.137 9.740 742 2HE LYS 98 2HE LYS 98 -13.911 -8.582 8.120 743 1HZ LYS 98 1HZ LYS 98 -14.413 -10.480 10.344 744 2HZ LYS 98 2HZ LYS 98 -15.432 -10.183 9.082 745 3HZ LYS 98 3HZ LYS 98 -13.996 -10.908 8.811 746 H LEU 99 H LEU 99 -8.185 -6.401 10.642 747 HA LEU 99 HA LEU 99 -6.512 -7.096 12.911 748 1HB LEU 99 1HB LEU 99 -7.170 -9.380 11.889 749 2HB LEU 99 2HB LEU 99 -6.298 -8.881 10.450 750 HG LEU 99 HG LEU 99 -4.302 -8.400 12.197 751 1HD1 LEU 99 1HD1 LEU 99 -5.731 -8.664 14.182 752 2HD1 LEU 99 2HD1 LEU 99 -6.031 -10.354 13.738 753 3HD1 LEU 99 3HD1 LEU 99 -4.386 -9.807 14.156 754 1HD2 LEU 99 1HD2 LEU 99 -5.221 -11.165 11.363 755 2HD2 LEU 99 2HD2 LEU 99 -4.221 -10.025 10.418 756 3HD2 LEU 99 3HD2 LEU 99 -3.583 -10.732 11.911 757 H LYS 100 H LYS 100 -6.392 -4.694 11.929 758 HA LYS 100 HA LYS 100 -4.445 -4.628 9.690 759 1HB LYS 100 2HB LYS 100 -6.273 -3.077 9.787 760 2HB LYS 100 1HB LYS 100 -4.825 -2.353 9.452 761 1HG LYS 100 1HG LYS 100 -4.623 -1.532 11.816 762 2HG LYS 100 2HG LYS 100 -5.987 -0.887 10.951 763 1HD LYS 100 2HD LYS 100 -7.062 -3.106 12.385 764 2HD LYS 100 1HD LYS 100 -7.282 -1.383 12.673 765 1HE LYS 100 1HE LYS 100 -4.956 -3.016 13.787 766 2HE LYS 100 2HE LYS 100 -5.251 -1.302 14.053 767 1HZ LYS 100 1HZ LYS 100 -7.453 -2.052 15.042 768 2HZ LYS 100 2HZ LYS 100 -6.780 -3.573 15.117 769 3HZ LYS 100 3HZ LYS 100 -6.075 -2.338 15.895 770 H ILE 101 H ILE 101 -2.524 -3.021 10.201 771 HA ILE 101 HA ILE 101 -1.488 -3.594 12.811 772 HB ILE 101 HB ILE 101 -0.416 -4.737 10.257 773 1HG1 ILE 101 2HG1 ILE 101 -1.495 -5.852 12.754 774 2HG1 ILE 101 1HG1 ILE 101 0.038 -6.574 12.325 775 1HG2 ILE 101 1HG2 ILE 101 1.300 -4.331 12.700 776 2HG2 ILE 101 2HG2 ILE 101 1.691 -5.367 11.304 777 3HG2 ILE 101 3HG2 ILE 101 1.527 -3.624 11.085 778 1HD1 ILE 101 1HD1 ILE 101 -2.259 -6.333 10.354 779 2HD1 ILE 101 2HD1 ILE 101 -0.735 -7.219 10.147 780 3HD1 ILE 101 3HD1 ILE 101 -1.924 -7.761 11.351 781 H THR 102 H THR 102 0.918 -2.394 12.786 782 HA THR 102 HA THR 102 1.112 -0.095 11.154 783 HB THR 102 HB THR 102 1.179 1.585 12.946 784 HG1 THR 102 HG1 THR 102 0.292 1.204 14.922 785 1HG2 THR 102 1HG2 THR 102 -0.906 1.292 11.609 786 2HG2 THR 102 2HG2 THR 102 -1.580 0.363 12.986 787 3HG2 THR 102 3HG2 THR 102 -1.116 2.066 13.178 788 H GLY 103 H GLY 103 3.124 1.248 12.259 789 1HA GLY 103 1HA GLY 103 4.700 0.231 14.247 790 2HA GLY 103 2HA GLY 103 5.315 -0.577 12.796 791 H ASN 104 H ASN 104 4.112 2.757 13.658 792 HA ASN 104 HA ASN 104 6.434 4.075 12.713 793 1HB ASN 104 2HB ASN 104 5.741 3.231 10.474 794 2HB ASN 104 1HB ASN 104 5.682 4.974 10.593 795 2HD2 ASN 104 1HD2 ASN 104 3.876 5.882 9.656 796 1HD2 ASN 104 2HD2 ASN 104 2.322 5.070 9.550 797 H MET 105 H MET 105 2.869 4.521 12.453 798 HA MET 105 HA MET 105 2.321 6.211 14.514 799 1HB MET 105 1HB MET 105 2.174 8.456 13.317 800 2HB MET 105 2HB MET 105 3.729 7.924 13.911 801 1HG MET 105 1HG MET 105 4.175 7.069 11.482 802 2HG MET 105 2HG MET 105 2.798 8.058 11.033 803 1HE MET 105 1HE MET 105 3.125 10.556 12.988 804 2HE MET 105 2HE MET 105 4.173 11.628 12.041 805 3HE MET 105 3HE MET 105 2.837 10.774 11.247 806 H GLY 106 H GLY 106 1.034 7.584 11.521 807 1HA GLY 106 1HA GLY 106 -1.260 5.659 11.619 808 2HA GLY 106 2HA GLY 106 -1.450 7.411 11.710 809 H LEU 107 H LEU 107 -0.352 4.740 9.664 810 HA LEU 107 HA LEU 107 0.502 6.317 7.428 811 1HB LEU 107 2HB LEU 107 1.484 4.177 8.171 812 2HB LEU 107 1HB LEU 107 1.100 4.262 6.471 813 HG LEU 107 HG LEU 107 -0.731 2.710 6.686 814 1HD1 LEU 107 1HD1 LEU 107 1.642 1.919 6.589 815 2HD1 LEU 107 2HD1 LEU 107 1.674 1.833 8.350 816 3HD1 LEU 107 3HD1 LEU 107 0.586 0.765 7.432 817 1HD2 LEU 107 1HD2 LEU 107 -0.254 2.692 9.703 818 2HD2 LEU 107 2HD2 LEU 107 -1.743 3.236 8.861 819 3HD2 LEU 107 3HD2 LEU 107 -1.282 1.555 8.812 820 H ALA 108 H ALA 108 -2.451 6.581 8.096 821 HA ALA 108 HA ALA 108 -3.913 4.998 6.171 822 1HB ALA 108 2HB ALA 108 -5.862 6.209 7.096 823 2HB ALA 108 3HB ALA 108 -4.811 5.519 8.347 824 3HB ALA 108 1HB ALA 108 -4.763 7.261 8.026 825 H MET 109 H MET 109 -4.761 8.395 6.408 826 HA MET 109 HA MET 109 -4.415 8.713 3.462 827 1HB MET 109 1HB MET 109 -6.347 9.912 5.475 828 2HB MET 109 2HB MET 109 -6.147 10.549 3.849 829 1HG MET 109 1HG MET 109 -6.845 8.509 2.840 830 2HG MET 109 2HG MET 109 -6.758 7.612 4.352 831 1HE MET 109 1HE MET 109 -9.011 8.733 1.864 832 2HE MET 109 2HE MET 109 -9.246 7.172 2.689 833 3HE MET 109 3HE MET 109 -10.525 8.411 2.731 834 H LYS 110 H LYS 110 -2.647 9.242 6.007 835 HA LYS 110 HA LYS 110 -2.068 12.052 5.997 836 1HB LYS 110 1HB LYS 110 -1.936 10.011 7.767 837 2HB LYS 110 2HB LYS 110 -0.277 9.952 7.256 838 1HG LYS 110 1HG LYS 110 -1.711 12.423 8.329 839 2HG LYS 110 2HG LYS 110 -0.873 11.246 9.325 840 1HD LYS 110 1HD LYS 110 1.206 11.818 7.790 841 2HD LYS 110 2HD LYS 110 0.297 13.301 7.465 842 1HE LYS 110 2HE LYS 110 1.784 13.716 9.313 843 2HE LYS 110 1HE LYS 110 1.321 12.222 10.129 844 1HZ LYS 110 1HZ LYS 110 -0.555 14.458 9.697 845 2HZ LYS 110 2HZ LYS 110 -0.827 13.155 10.607 846 3HZ LYS 110 3HZ LYS 110 0.314 14.240 11.087 847 H LEU 111 H LEU 111 -1.740 11.003 3.282 848 HA LEU 111 HA LEU 111 0.946 11.730 2.654 849 1HB LEU 111 1HB LEU 111 1.582 9.650 1.526 850 2HB LEU 111 2HB LEU 111 1.559 9.541 3.263 851 HG LEU 111 HG LEU 111 0.850 7.514 2.163 852 1HD1 LEU 111 1HD1 LEU 111 -0.041 8.102 4.459 853 2HD1 LEU 111 2HD1 LEU 111 -1.580 8.479 3.645 854 3HD1 LEU 111 3HD1 LEU 111 -0.907 6.861 3.543 855 1HD2 LEU 111 1HD2 LEU 111 -0.358 8.557 0.194 856 2HD2 LEU 111 2HD2 LEU 111 -1.177 7.208 1.002 857 3HD2 LEU 111 3HD2 LEU 111 -1.725 8.861 1.288 858 H GLN 112 H GLN 112 1.270 11.758 0.244 859 HA GLN 112 HA GLN 112 -1.332 12.085 -1.190 860 1HB GLN 112 1HB GLN 112 1.070 13.837 -0.941 861 2HB GLN 112 2HB GLN 112 0.503 13.617 -2.590 862 1HG GLN 112 1HG GLN 112 -1.344 14.498 -0.358 863 2HG GLN 112 2HG GLN 112 -0.408 15.602 -1.347 864 2HE2 GLN 112 1HE2 GLN 112 -2.957 12.981 -1.751 865 1HE2 GLN 112 2HE2 GLN 112 -3.741 13.864 -3.027 866 H ASN 113 H ASN 113 1.989 11.958 -2.629 867 HA ASN 113 HA ASN 113 1.451 10.476 -4.739 868 1HB ASN 113 1HB ASN 113 3.976 10.181 -3.043 869 2HB ASN 113 2HB ASN 113 3.826 9.642 -4.707 870 2HD2 ASN 113 1HD2 ASN 113 4.639 11.037 -6.259 871 1HD2 ASN 113 2HD2 ASN 113 5.086 12.694 -5.909 872 H LEU 114 H LEU 114 2.028 9.001 -1.544 873 HA LEU 114 HA LEU 114 2.395 6.298 -2.410 874 1HB LEU 114 1HB LEU 114 1.842 7.692 0.159 875 2HB LEU 114 2HB LEU 114 1.165 6.083 0.064 876 HG LEU 114 HG LEU 114 3.632 5.443 -0.781 877 1HD1 LEU 114 1HD1 LEU 114 4.451 7.814 -0.642 878 2HD1 LEU 114 2HD1 LEU 114 4.078 7.814 1.096 879 3HD1 LEU 114 3HD1 LEU 114 5.321 6.729 0.452 880 1HD2 LEU 114 1HD2 LEU 114 2.915 5.920 2.146 881 2HD2 LEU 114 2HD2 LEU 114 2.501 4.482 1.188 882 3HD2 LEU 114 3HD2 LEU 114 4.195 4.850 1.517 883 H GLN 115 H GLN 115 -0.463 8.249 -2.531 884 HA GLN 115 HA GLN 115 -2.037 5.865 -3.211 885 1HB GLN 115 1HB GLN 115 -2.826 8.041 -1.271 886 2HB GLN 115 2HB GLN 115 -4.053 7.140 -2.178 887 1HG GLN 115 1HG GLN 115 -3.253 5.011 -1.335 888 2HG GLN 115 2HG GLN 115 -1.932 5.771 -0.477 889 2HE2 GLN 115 1HE2 GLN 115 -3.839 8.076 0.582 890 1HE2 GLN 115 2HE2 GLN 115 -4.593 7.190 1.869 891 H LEU 116 H LEU 116 -0.561 7.107 -5.073 892 HA LEU 116 HA LEU 116 -0.449 8.346 -6.880 893 1HB LEU 116 1HB LEU 116 -3.354 7.492 -6.984 894 2HB LEU 116 2HB LEU 116 -2.691 8.440 -8.275 895 HG LEU 116 HG LEU 116 -1.328 5.900 -7.410 896 1HD1 LEU 116 1HD1 LEU 116 -3.606 6.141 -9.431 897 2HD1 LEU 116 2HD1 LEU 116 -2.562 4.732 -9.302 898 3HD1 LEU 116 3HD1 LEU 116 -3.579 5.152 -7.952 899 1HD2 LEU 116 1HD2 LEU 116 -1.309 7.599 -9.933 900 2HD2 LEU 116 2HD2 LEU 116 0.026 7.330 -8.779 901 3HD2 LEU 116 3HD2 LEU 116 -0.532 6.033 -9.819 902 H GLN 117 H GLN 117 -1.745 10.208 -8.204 903 HA GLN 117 HA GLN 117 -1.820 12.403 -6.250 904 1HB GLN 117 2HB GLN 117 -0.704 13.656 -7.717 905 2HB GLN 117 1HB GLN 117 -1.393 12.910 -9.150 906 1HG GLN 117 1HG GLN 117 0.508 11.271 -7.476 907 2HG GLN 117 2HG GLN 117 0.213 11.267 -9.231 908 2HE2 GLN 117 1HE2 GLN 117 2.604 11.784 -7.147 909 1HE2 GLN 117 2HE2 GLN 117 3.432 12.987 -8.136 910 HA PRO 118 HA PRO 118 -5.954 13.664 -7.597 911 1HB PRO 118 1HB PRO 118 -5.723 16.406 -7.803 912 2HB PRO 118 2HB PRO 118 -5.893 15.493 -6.275 913 1HG PRO 118 2HG PRO 118 -3.855 16.606 -5.826 914 2HG PRO 118 1HG PRO 118 -3.358 16.544 -7.552 915 1HD PRO 118 1HD PRO 118 -2.129 14.768 -6.728 916 2HD PRO 118 2HD PRO 118 -3.309 14.395 -5.451 917 H GLY 119 H GLY 119 -7.007 15.009 -9.471 918 1HA GLY 119 1HA GLY 119 -7.077 15.629 -11.729 919 2HA GLY 119 2HA GLY 119 -5.366 15.237 -11.912 920 H ASN 120 H ASN 120 -8.636 13.815 -11.599 921 HA ASN 120 HA ASN 120 -7.968 11.580 -13.305 922 1HB ASN 120 1HB ASN 120 -7.016 10.772 -11.142 923 2HB ASN 120 2HB ASN 120 -8.591 10.944 -10.382 924 2HD2 ASN 120 1HD2 ASN 120 -6.609 8.656 -11.682 925 1HD2 ASN 120 2HD2 ASN 120 -7.833 7.535 -12.240 926 H ALA 121 H ALA 121 -10.324 12.029 -10.638 927 HA ALA 121 HA ALA 121 -12.565 11.726 -10.570 928 1HB ALA 121 2HB ALA 121 -12.356 13.814 -12.754 929 2HB ALA 121 1HB ALA 121 -12.256 14.100 -11.007 930 3HB ALA 121 3HB ALA 121 -13.774 13.524 -11.717 931 H LYS 122 H LYS 122 -11.602 9.504 -12.023 932 HA LYS 122 HA LYS 122 -13.918 8.984 -13.817 933 1HB LYS 122 1HB LYS 122 -11.876 9.514 -15.124 934 2HB LYS 122 2HB LYS 122 -10.988 8.247 -14.274 935 1HG LYS 122 1HG LYS 122 -12.334 6.516 -15.254 936 2HG LYS 122 2HG LYS 122 -13.495 7.686 -15.909 937 1HD LYS 122 1HD LYS 122 -10.575 7.727 -16.690 938 2HD LYS 122 2HD LYS 122 -11.712 6.629 -17.491 939 1HE LYS 122 1HE LYS 122 -12.988 8.402 -18.415 940 2HE LYS 122 2HE LYS 122 -12.296 9.600 -17.308 941 1HZ LYS 122 1HZ LYS 122 -10.693 8.248 -19.397 942 2HZ LYS 122 2HZ LYS 122 -11.395 9.715 -19.572 943 3HZ LYS 122 3HZ LYS 122 -10.256 9.521 -18.438 944 H LEU 123 H LEU 123 -14.350 6.609 -13.957 945 HA LEU 123 HA LEU 123 -13.694 5.184 -11.450 946 1HB LEU 123 2HB LEU 123 -15.952 6.119 -11.261 947 2HB LEU 123 1HB LEU 123 -15.940 4.370 -11.238 948 HG LEU 123 HG LEU 123 -16.455 5.755 -13.883 949 1HD1 LEU 123 1HD1 LEU 123 -17.531 3.202 -12.596 950 2HD1 LEU 123 2HD1 LEU 123 -18.005 3.817 -14.186 951 3HD1 LEU 123 3HD1 LEU 123 -16.349 3.287 -13.918 952 1HD2 LEU 123 1HD2 LEU 123 -18.503 5.407 -11.668 953 2HD2 LEU 123 2HD2 LEU 123 -17.903 6.946 -12.320 954 3HD2 LEU 123 3HD2 LEU 123 -18.866 5.871 -13.341 No H/Q in entry = 954 Start of MODEL 11 1 H SER 1 H SER 1 -3.335 -20.234 -0.565 2 HA SER 1 HA SER 1 -3.929 -22.330 -2.401 3 1HB SER 1 1HB SER 1 -3.955 -19.514 -3.569 4 2HB SER 1 2HB SER 1 -3.969 -21.031 -4.495 5 HG SER 1 HG SER 1 -5.901 -20.856 -2.551 6 H SER 2 H SER 2 -2.048 -19.489 -1.580 7 HA SER 2 HA SER 2 0.187 -20.212 -0.805 8 1HB SER 2 1HB SER 2 0.749 -21.723 -2.678 9 2HB SER 2 2HB SER 2 0.742 -20.349 -3.798 10 HG SER 2 HG SER 2 2.817 -20.679 -3.183 11 H ALA 3 H ALA 3 0.117 -18.387 -3.884 12 HA ALA 3 HA ALA 3 -0.372 -15.821 -2.584 13 1HB ALA 3 3HB ALA 3 2.079 -16.007 -2.413 14 2HB ALA 3 1HB ALA 3 2.201 -16.484 -4.118 15 3HB ALA 3 2HB ALA 3 1.673 -14.852 -3.690 16 H SER 4 H SER 4 -0.276 -14.122 -4.601 17 HA SER 4 HA SER 4 -1.259 -15.317 -7.084 18 1HB SER 4 1HB SER 4 -2.863 -13.496 -5.266 19 2HB SER 4 2HB SER 4 -3.178 -13.732 -6.993 20 HG SER 4 HG SER 4 -2.883 -16.115 -6.121 21 H ASP 5 H ASP 5 -1.364 -11.977 -5.789 22 HA ASP 5 HA ASP 5 -0.422 -10.033 -6.625 23 1HB ASP 5 1HB ASP 5 1.966 -11.624 -7.433 24 2HB ASP 5 2HB ASP 5 1.880 -10.015 -6.723 25 H GLY 6 H GLY 6 -2.116 -11.516 -8.439 26 1HA GLY 6 1HA GLY 6 -1.137 -10.335 -11.009 27 2HA GLY 6 2HA GLY 6 -1.974 -11.886 -10.943 28 H PHE 7 H PHE 7 -3.296 -9.756 -8.601 29 HA PHE 7 HA PHE 7 -5.837 -9.615 -9.956 30 1HB PHE 7 2HB PHE 7 -6.468 -8.220 -8.018 31 2HB PHE 7 1HB PHE 7 -4.791 -7.988 -7.612 32 HD1 PHE 7 HD1 PHE 7 -5.630 -11.491 -8.509 33 HD2 PHE 7 HD2 PHE 7 -5.570 -8.611 -5.292 34 HE1 PHE 7 HE1 PHE 7 -5.467 -13.301 -6.865 35 HE2 PHE 7 HE2 PHE 7 -5.316 -10.413 -3.667 36 HZ PHE 7 HZ PHE 7 -5.270 -12.799 -4.434 37 H LYS 8 H LYS 8 -6.913 -7.564 -10.625 38 HA LYS 8 HA LYS 8 -5.222 -6.031 -12.234 39 1HB LYS 8 1HB LYS 8 -7.997 -6.402 -12.015 40 2HB LYS 8 2HB LYS 8 -7.781 -4.664 -11.752 41 1HG LYS 8 1HG LYS 8 -6.472 -4.505 -13.863 42 2HG LYS 8 2HG LYS 8 -6.540 -6.260 -14.039 43 1HD LYS 8 2HD LYS 8 -9.007 -6.158 -14.214 44 2HD LYS 8 1HD LYS 8 -8.135 -5.416 -15.548 45 1HE LYS 8 2HE LYS 8 -9.428 -3.908 -13.241 46 2HE LYS 8 1HE LYS 8 -10.123 -4.134 -14.852 47 1HZ LYS 8 1HZ LYS 8 -8.213 -2.928 -15.750 48 2HZ LYS 8 2HZ LYS 8 -9.121 -2.037 -14.746 49 3HZ LYS 8 3HZ LYS 8 -7.693 -2.602 -14.191 50 H ALA 9 H ALA 9 -5.486 -5.612 -8.936 51 HA ALA 9 HA ALA 9 -4.803 -2.808 -8.803 52 1HB ALA 9 3HB ALA 9 -4.216 -3.383 -6.482 53 2HB ALA 9 2HB ALA 9 -4.377 -5.105 -6.869 54 3HB ALA 9 1HB ALA 9 -5.806 -4.050 -6.903 55 H ASN 10 H ASN 10 -3.099 -5.414 -10.178 56 HA ASN 10 HA ASN 10 -0.585 -5.314 -9.128 57 1HB ASN 10 1HB ASN 10 -1.502 -6.751 -11.104 58 2HB ASN 10 2HB ASN 10 -0.915 -5.456 -12.147 59 2HD2 ASN 10 1HD2 ASN 10 -0.055 -8.352 -10.570 60 1HD2 ASN 10 2HD2 ASN 10 1.597 -8.116 -10.202 61 H LEU 11 H LEU 11 -1.651 -3.224 -11.840 62 HA LEU 11 HA LEU 11 0.580 -1.456 -11.873 63 1HB LEU 11 2HB LEU 11 -1.413 -1.911 -13.511 64 2HB LEU 11 1HB LEU 11 -0.356 -0.556 -13.532 65 HG LEU 11 HG LEU 11 -2.558 0.123 -13.982 66 1HD1 LEU 11 1HD1 LEU 11 -3.420 -0.983 -11.294 67 2HD1 LEU 11 2HD1 LEU 11 -4.335 0.212 -12.224 68 3HD1 LEU 11 3HD1 LEU 11 -4.016 -1.382 -12.910 69 1HD2 LEU 11 1HD2 LEU 11 -0.854 1.471 -12.542 70 2HD2 LEU 11 2HD2 LEU 11 -2.490 2.092 -12.842 71 3HD2 LEU 11 3HD2 LEU 11 -2.095 1.352 -11.291 72 H VAL 12 H VAL 12 -2.244 -1.384 -9.711 73 HA VAL 12 HA VAL 12 -1.826 1.197 -8.694 74 HB VAL 12 HB VAL 12 -3.457 -1.204 -8.196 75 1HG1 VAL 12 1HG1 VAL 12 -2.698 0.334 -5.736 76 2HG1 VAL 12 2HG1 VAL 12 -4.213 -0.577 -5.910 77 3HG1 VAL 12 3HG1 VAL 12 -2.657 -1.401 -6.015 78 1HG2 VAL 12 1HG2 VAL 12 -3.910 1.710 -8.243 79 2HG2 VAL 12 2HG2 VAL 12 -4.456 0.447 -9.334 80 3HG2 VAL 12 3HG2 VAL 12 -5.152 0.570 -7.698 81 H PHE 13 H PHE 13 -0.495 -1.986 -7.546 82 HA PHE 13 HA PHE 13 1.035 -0.606 -5.483 83 1HB PHE 13 1HB PHE 13 1.422 -3.350 -6.692 84 2HB PHE 13 2HB PHE 13 2.263 -2.730 -5.266 85 HD1 PHE 13 HD1 PHE 13 1.027 -2.338 -3.130 86 HD2 PHE 13 HD2 PHE 13 -0.810 -4.214 -6.530 87 HE1 PHE 13 HE1 PHE 13 -0.882 -3.140 -1.696 88 HE2 PHE 13 HE2 PHE 13 -2.752 -4.828 -5.139 89 HZ PHE 13 HZ PHE 13 -2.855 -4.166 -2.759 90 H LYS 14 H LYS 14 1.678 -1.572 -8.871 91 HA LYS 14 HA LYS 14 4.469 -1.000 -8.615 92 1HB LYS 14 1HB LYS 14 3.103 -2.268 -10.409 93 2HB LYS 14 2HB LYS 14 3.115 -0.760 -11.303 94 1HG LYS 14 1HG LYS 14 5.575 -0.575 -11.188 95 2HG LYS 14 2HG LYS 14 5.680 -1.933 -10.100 96 1HD LYS 14 2HD LYS 14 4.826 -3.437 -11.944 97 2HD LYS 14 1HD LYS 14 6.448 -2.750 -12.121 98 1HE LYS 14 1HE LYS 14 3.926 -1.762 -13.517 99 2HE LYS 14 2HE LYS 14 5.500 -0.943 -13.577 100 1HZ LYS 14 1HZ LYS 14 4.981 -3.696 -14.507 101 2HZ LYS 14 2HZ LYS 14 5.133 -2.384 -15.481 102 3HZ LYS 14 3HZ LYS 14 6.430 -2.897 -14.619 103 H GLU 15 H GLU 15 1.773 1.045 -9.385 104 HA GLU 15 HA GLU 15 3.211 3.450 -9.958 105 1HB GLU 15 1HB GLU 15 0.580 2.741 -8.808 106 2HB GLU 15 2HB GLU 15 1.196 4.246 -8.144 107 1HG GLU 15 1HG GLU 15 1.110 3.629 -11.107 108 2HG GLU 15 2HG GLU 15 -0.212 4.319 -10.238 109 H ILE 16 H ILE 16 2.530 2.032 -6.696 110 HA ILE 16 HA ILE 16 3.754 4.062 -5.199 111 HB ILE 16 HB ILE 16 3.410 1.084 -4.578 112 1HG1 ILE 16 1HG1 ILE 16 1.612 3.436 -3.939 113 2HG1 ILE 16 2HG1 ILE 16 1.240 2.260 -5.177 114 1HG2 ILE 16 1HG2 ILE 16 3.934 3.450 -2.794 115 2HG2 ILE 16 2HG2 ILE 16 3.544 1.802 -2.225 116 3HG2 ILE 16 3HG2 ILE 16 5.031 2.096 -3.123 117 1HD1 ILE 16 1HD1 ILE 16 1.256 0.446 -3.410 118 2HD1 ILE 16 2HD1 ILE 16 1.285 1.750 -2.199 119 3HD1 ILE 16 3HD1 ILE 16 -0.064 1.626 -3.330 120 H GLU 17 H GLU 17 4.953 0.993 -6.489 121 HA GLU 17 HA GLU 17 7.681 1.208 -5.758 122 1HB GLU 17 1HB GLU 17 6.517 -0.854 -6.639 123 2HB GLU 17 2HB GLU 17 6.424 -0.079 -8.180 124 1HG GLU 17 1HG GLU 17 9.042 0.126 -8.050 125 2HG GLU 17 2HG GLU 17 8.910 -1.073 -6.769 126 H LYS 18 H LYS 18 6.125 2.186 -8.870 127 HA LYS 18 HA LYS 18 8.530 2.836 -10.047 128 1HB LYS 18 1HB LYS 18 6.564 2.400 -11.318 129 2HB LYS 18 2HB LYS 18 5.733 3.834 -10.684 130 1HG LYS 18 1HG LYS 18 7.144 5.316 -11.870 131 2HG LYS 18 2HG LYS 18 8.355 4.084 -12.203 132 1HD LYS 18 1HD LYS 18 5.583 3.648 -13.336 133 2HD LYS 18 2HD LYS 18 6.570 4.931 -14.019 134 1HE LYS 18 1HE LYS 18 7.208 3.273 -15.392 135 2HE LYS 18 2HE LYS 18 8.475 3.155 -14.178 136 1HZ LYS 18 1HZ LYS 18 6.057 1.448 -14.353 137 2HZ LYS 18 2HZ LYS 18 7.559 1.048 -14.807 138 3HZ LYS 18 3HZ LYS 18 7.287 1.265 -13.218 139 H LYS 19 H LYS 19 6.352 4.836 -8.067 140 HA LYS 19 HA LYS 19 7.825 7.320 -8.287 141 1HB LYS 19 1HB LYS 19 5.373 6.954 -7.577 142 2HB LYS 19 2HB LYS 19 5.993 6.359 -6.063 143 1HG LYS 19 1HG LYS 19 5.519 8.555 -5.514 144 2HG LYS 19 2HG LYS 19 7.221 8.736 -5.955 145 1HD LYS 19 1HD LYS 19 6.493 9.407 -8.252 146 2HD LYS 19 2HD LYS 19 4.809 9.243 -7.760 147 1HE LYS 19 1HE LYS 19 5.226 11.017 -5.987 148 2HE LYS 19 2HE LYS 19 6.835 11.255 -6.700 149 1HZ LYS 19 1HZ LYS 19 5.737 11.819 -8.783 150 2HZ LYS 19 2HZ LYS 19 4.258 11.662 -8.124 151 3HZ LYS 19 3HZ LYS 19 5.247 12.853 -7.595 152 H LEU 20 H LEU 20 7.986 4.500 -5.993 153 HA LEU 20 HA LEU 20 9.976 5.634 -4.339 154 1HB LEU 20 1HB LEU 20 8.550 3.124 -4.628 155 2HB LEU 20 2HB LEU 20 10.222 2.747 -4.503 156 HG LEU 20 HG LEU 20 9.495 4.819 -2.534 157 1HD1 LEU 20 1HD1 LEU 20 7.290 3.861 -2.756 158 2HD1 LEU 20 2HD1 LEU 20 7.911 2.249 -2.452 159 3HD1 LEU 20 3HD1 LEU 20 7.988 3.497 -1.172 160 1HD2 LEU 20 1HD2 LEU 20 10.573 1.995 -2.335 161 2HD2 LEU 20 2HD2 LEU 20 11.530 3.466 -2.449 162 3HD2 LEU 20 3HD2 LEU 20 10.555 3.177 -1.007 163 H GLU 21 H GLU 21 10.251 3.783 -7.353 164 HA GLU 21 HA GLU 21 13.059 3.490 -7.225 165 1HB GLU 21 1HB GLU 21 11.335 3.644 -9.677 166 2HB GLU 21 2HB GLU 21 13.034 3.146 -9.678 167 1HG GLU 21 1HG GLU 21 10.856 1.736 -8.040 168 2HG GLU 21 2HG GLU 21 11.290 1.273 -9.687 169 H GLU 22 H GLU 22 11.135 6.217 -8.588 170 HA GLU 22 HA GLU 22 13.494 7.385 -9.622 171 1HB GLU 22 1HB GLU 22 12.238 9.532 -9.661 172 2HB GLU 22 2HB GLU 22 11.701 8.175 -10.679 173 1HG GLU 22 1HG GLU 22 10.012 7.638 -9.026 174 2HG GLU 22 2HG GLU 22 10.560 8.976 -8.003 175 H GLU 23 H GLU 23 11.762 8.036 -6.537 176 HA GLU 23 HA GLU 23 14.279 8.785 -5.330 177 1HB GLU 23 1HB GLU 23 13.277 10.815 -6.743 178 2HB GLU 23 2HB GLU 23 12.190 11.000 -5.345 179 1HG GLU 23 1HG GLU 23 14.148 11.016 -3.865 180 2HG GLU 23 2HG GLU 23 15.209 10.630 -5.213 181 H GLY 24 H GLY 24 12.585 6.761 -4.804 182 1HA GLY 24 1HA GLY 24 10.877 6.924 -2.590 183 2HA GLY 24 2HA GLY 24 11.996 5.589 -2.912 184 H GLU 25 H GLU 25 14.353 7.575 -2.590 185 HA GLU 25 HA GLU 25 15.049 6.762 -0.054 186 1HB GLU 25 2HB GLU 25 16.661 7.472 -1.676 187 2HB GLU 25 1HB GLU 25 16.918 8.237 -0.122 188 1HG GLU 25 1HG GLU 25 15.543 9.592 -2.485 189 2HG GLU 25 2HG GLU 25 16.025 10.351 -0.963 190 H GLN 26 H GLN 26 13.094 9.641 -0.829 191 HA GLN 26 HA GLN 26 13.458 10.636 1.902 192 1HB GLN 26 1HB GLN 26 13.356 11.902 -0.461 193 2HB GLN 26 2HB GLN 26 11.639 11.948 -0.118 194 1HG GLN 26 1HG GLN 26 13.603 12.783 2.032 195 2HG GLN 26 2HG GLN 26 13.420 13.787 0.621 196 2HE2 GLN 26 1HE2 GLN 26 10.331 12.305 1.783 197 1HE2 GLN 26 2HE2 GLN 26 9.837 13.847 2.460 198 H PHE 27 H PHE 27 11.147 8.716 -0.007 199 HA PHE 27 HA PHE 27 8.945 8.953 1.842 200 1HB PHE 27 1HB PHE 27 9.677 7.474 -0.669 201 2HB PHE 27 2HB PHE 27 8.658 6.581 0.422 202 HD1 PHE 27 HD1 PHE 27 6.766 8.526 1.549 203 HD2 PHE 27 HD2 PHE 27 8.344 8.197 -2.454 204 HE1 PHE 27 HE1 PHE 27 4.865 9.843 0.678 205 HE2 PHE 27 HE2 PHE 27 6.402 9.437 -3.327 206 HZ PHE 27 HZ PHE 27 4.680 10.338 -1.739 207 H VAL 28 H VAL 28 11.771 6.892 1.367 208 HA VAL 28 HA VAL 28 11.508 4.994 3.436 209 HB VAL 28 HB VAL 28 13.804 6.474 2.149 210 1HG1 VAL 28 1HG1 VAL 28 14.029 4.416 4.340 211 2HG1 VAL 28 2HG1 VAL 28 15.352 4.798 3.225 212 3HG1 VAL 28 3HG1 VAL 28 14.725 6.048 4.307 213 1HG2 VAL 28 1HG2 VAL 28 12.557 4.602 0.897 214 2HG2 VAL 28 2HG2 VAL 28 14.317 4.501 1.022 215 3HG2 VAL 28 3HG2 VAL 28 13.339 3.496 2.063 216 H LYS 29 H LYS 29 12.428 8.503 3.587 217 HA LYS 29 HA LYS 29 12.875 8.336 6.459 218 1HB LYS 29 1HB LYS 29 12.453 10.755 4.653 219 2HB LYS 29 2HB LYS 29 12.847 10.842 6.355 220 1HG LYS 29 1HG LYS 29 14.581 9.402 4.314 221 2HG LYS 29 2HG LYS 29 14.777 11.107 4.727 222 1HD LYS 29 1HD LYS 29 15.643 10.694 6.804 223 2HD LYS 29 2HD LYS 29 14.720 9.226 7.059 224 1HE LYS 29 1HE LYS 29 16.454 8.692 4.853 225 2HE LYS 29 2HE LYS 29 17.438 9.523 6.064 226 1HZ LYS 29 1HZ LYS 29 15.761 7.133 6.616 227 2HZ LYS 29 2HZ LYS 29 17.380 7.101 6.334 228 3HZ LYS 29 3HZ LYS 29 16.766 7.877 7.663 229 H LYS 30 H LYS 30 10.062 9.159 4.417 230 HA LYS 30 HA LYS 30 8.441 10.114 6.528 231 1HB LYS 30 1HB LYS 30 7.617 8.723 3.945 232 2HB LYS 30 2HB LYS 30 6.479 9.356 5.131 233 1HG LYS 30 1HG LYS 30 7.488 11.599 4.915 234 2HG LYS 30 2HG LYS 30 8.542 11.005 3.623 235 1HD LYS 30 1HD LYS 30 6.901 11.166 2.073 236 2HD LYS 30 2HD LYS 30 5.747 10.307 3.084 237 1HE LYS 30 1HE LYS 30 4.885 12.499 2.563 238 2HE LYS 30 2HE LYS 30 5.190 12.369 4.291 239 1HZ LYS 30 1HZ LYS 30 6.957 13.772 2.350 240 2HZ LYS 30 2HZ LYS 30 5.946 14.466 3.442 241 3HZ LYS 30 3HZ LYS 30 7.224 13.645 3.970 242 H ILE 31 H ILE 31 8.455 6.782 5.120 243 HA ILE 31 HA ILE 31 6.693 5.850 7.220 244 HB ILE 31 HB ILE 31 7.913 4.580 4.796 245 1HG1 ILE 31 1HG1 ILE 31 5.045 5.310 5.623 246 2HG1 ILE 31 2HG1 ILE 31 6.058 6.314 4.591 247 1HG2 ILE 31 1HG2 ILE 31 6.159 3.425 7.017 248 2HG2 ILE 31 2HG2 ILE 31 6.392 2.637 5.447 249 3HG2 ILE 31 3HG2 ILE 31 7.773 2.867 6.520 250 1HD1 ILE 31 1HD1 ILE 31 6.141 4.520 2.887 251 2HD1 ILE 31 2HD1 ILE 31 5.013 3.561 3.888 252 3HD1 ILE 31 3HD1 ILE 31 4.507 5.116 3.222 253 H GLY 32 H GLY 32 10.109 5.010 6.161 254 1HA GLY 32 1HA GLY 32 11.883 4.287 7.325 255 2HA GLY 32 2HA GLY 32 11.132 4.973 8.767 256 H GLY 33 H GLY 33 10.296 2.142 6.579 257 1HA GLY 33 1HA GLY 33 11.172 0.160 8.305 258 2HA GLY 33 2HA GLY 33 9.516 0.488 8.825 259 H ILE 34 H ILE 34 10.777 -1.895 7.302 260 HA ILE 34 HA ILE 34 9.430 -1.752 4.707 261 HB ILE 34 HB ILE 34 10.566 -4.132 6.251 262 1HG1 ILE 34 2HG1 ILE 34 11.719 -2.139 4.363 263 2HG1 ILE 34 1HG1 ILE 34 12.037 -3.797 3.885 264 1HG2 ILE 34 1HG2 ILE 34 8.799 -4.902 4.685 265 2HG2 ILE 34 2HG2 ILE 34 9.589 -4.023 3.364 266 3HG2 ILE 34 3HG2 ILE 34 10.392 -5.405 4.146 267 1HD1 ILE 34 1HD1 ILE 34 13.020 -4.222 6.149 268 2HD1 ILE 34 2HD1 ILE 34 13.857 -2.945 5.240 269 3HD1 ILE 34 3HD1 ILE 34 12.742 -2.506 6.550 270 H PHE 35 H PHE 35 7.340 -2.672 4.216 271 HA PHE 35 HA PHE 35 6.083 -4.119 6.373 272 1HB PHE 35 2HB PHE 35 5.358 -1.875 6.899 273 2HB PHE 35 1HB PHE 35 4.024 -2.920 6.466 274 HD1 PHE 35 HD1 PHE 35 6.331 -0.353 4.859 275 HD2 PHE 35 HD2 PHE 35 2.370 -2.055 5.096 276 HE1 PHE 35 HE1 PHE 35 5.485 1.377 3.333 277 HE2 PHE 35 HE2 PHE 35 1.527 -0.261 3.635 278 HZ PHE 35 HZ PHE 35 3.075 1.459 2.715 279 H ALA 36 H ALA 36 4.050 -5.115 5.673 280 HA ALA 36 HA ALA 36 4.082 -5.800 2.756 281 1HB ALA 36 2HB ALA 36 3.175 -8.030 3.616 282 2HB ALA 36 1HB ALA 36 3.649 -7.514 5.237 283 3HB ALA 36 3HB ALA 36 4.874 -7.689 3.975 284 H PHE 37 H PHE 37 2.265 -5.409 1.681 285 HA PHE 37 HA PHE 37 -0.209 -4.531 3.002 286 1HB PHE 37 1HB PHE 37 0.537 -4.968 0.078 287 2HB PHE 37 2HB PHE 37 -1.021 -4.424 0.615 288 HD1 PHE 37 HD1 PHE 37 -0.725 -2.252 2.398 289 HD2 PHE 37 HD2 PHE 37 1.762 -3.301 -0.958 290 HE1 PHE 37 HE1 PHE 37 -0.218 0.139 2.029 291 HE2 PHE 37 HE2 PHE 37 2.266 -0.926 -1.328 292 HZ PHE 37 HZ PHE 37 1.285 0.826 0.164 293 H LYS 38 H LYS 38 -1.325 -6.384 3.968 294 HA LYS 38 HA LYS 38 -1.380 -8.873 2.419 295 1HB LYS 38 1HB LYS 38 -1.940 -8.044 5.173 296 2HB LYS 38 2HB LYS 38 -3.392 -8.775 4.554 297 1HG LYS 38 1HG LYS 38 -1.903 -10.761 3.863 298 2HG LYS 38 2HG LYS 38 -0.632 -9.970 4.815 299 1HD LYS 38 1HD LYS 38 -1.501 -10.551 6.802 300 2HD LYS 38 2HD LYS 38 -3.145 -10.198 6.298 301 1HE LYS 38 1HE LYS 38 -3.198 -12.323 4.988 302 2HE LYS 38 2HE LYS 38 -1.603 -12.745 5.626 303 1HZ LYS 38 1HZ LYS 38 -3.827 -12.112 7.450 304 2HZ LYS 38 2HZ LYS 38 -3.682 -13.620 6.789 305 3HZ LYS 38 3HZ LYS 38 -2.510 -13.036 7.744 306 H VAL 39 H VAL 39 -2.507 -8.769 0.544 307 HA VAL 39 HA VAL 39 -5.040 -7.218 0.496 308 HB VAL 39 HB VAL 39 -3.361 -8.296 -1.832 309 1HG1 VAL 39 1HG1 VAL 39 -5.593 -6.242 -1.579 310 2HG1 VAL 39 2HG1 VAL 39 -4.639 -6.464 -3.041 311 3HG1 VAL 39 3HG1 VAL 39 -5.649 -7.784 -2.443 312 1HG2 VAL 39 1HG2 VAL 39 -2.005 -6.638 -0.500 313 2HG2 VAL 39 2HG2 VAL 39 -2.310 -6.262 -2.165 314 3HG2 VAL 39 3HG2 VAL 39 -3.230 -5.423 -0.901 315 H LYS 40 H LYS 40 -6.475 -8.762 1.311 316 HA LYS 40 HA LYS 40 -6.570 -11.428 -0.016 317 1HB LYS 40 1HB LYS 40 -8.339 -11.913 1.807 318 2HB LYS 40 2HB LYS 40 -6.659 -11.918 2.161 319 1HG LYS 40 1HG LYS 40 -7.692 -10.956 3.987 320 2HG LYS 40 2HG LYS 40 -6.866 -9.625 3.185 321 1HD LYS 40 1HD LYS 40 -8.981 -8.840 2.270 322 2HD LYS 40 2HD LYS 40 -9.843 -10.246 2.918 323 1HE LYS 40 1HE LYS 40 -9.436 -9.636 5.195 324 2HE LYS 40 2HE LYS 40 -8.266 -8.405 4.732 325 1HZ LYS 40 1HZ LYS 40 -11.135 -8.171 4.060 326 2HZ LYS 40 2HZ LYS 40 -10.481 -7.556 5.414 327 3HZ LYS 40 3HZ LYS 40 -10.010 -6.987 3.947 328 H ASP 41 H ASP 41 -8.791 -12.314 -0.297 329 HA ASP 41 HA ASP 41 -10.758 -12.454 -1.293 330 1HB ASP 41 1HB ASP 41 -11.157 -10.758 0.748 331 2HB ASP 41 2HB ASP 41 -11.343 -9.581 -0.508 332 H GLY 42 H GLY 42 -8.516 -11.334 -2.891 333 1HA GLY 42 1HA GLY 42 -9.252 -9.075 -4.365 334 2HA GLY 42 2HA GLY 42 -8.085 -10.292 -4.897 335 HA PRO 43 HA PRO 43 -11.877 -10.315 -7.752 336 1HB PRO 43 1HB PRO 43 -10.383 -9.811 -10.092 337 2HB PRO 43 2HB PRO 43 -11.403 -8.664 -9.185 338 1HG PRO 43 1HG PRO 43 -8.415 -8.957 -9.109 339 2HG PRO 43 2HG PRO 43 -9.386 -7.476 -8.931 340 1HD PRO 43 1HD PRO 43 -8.249 -8.805 -6.800 341 2HD PRO 43 2HD PRO 43 -9.768 -7.888 -6.662 342 H GLY 44 H GLY 44 -12.009 -12.436 -7.176 343 1HA GLY 44 1HA GLY 44 -11.314 -14.774 -8.260 344 2HA GLY 44 2HA GLY 44 -9.769 -14.234 -7.588 345 H GLY 45 H GLY 45 -9.985 -13.407 -5.181 346 1HA GLY 45 1HA GLY 45 -11.256 -13.742 -3.134 347 2HA GLY 45 2HA GLY 45 -11.593 -15.401 -3.646 348 H LYS 46 H LYS 46 -8.557 -15.031 -4.681 349 HA LYS 46 HA LYS 46 -7.204 -16.303 -2.444 350 1HB LYS 46 1HB LYS 46 -6.268 -15.130 -5.085 351 2HB LYS 46 2HB LYS 46 -5.208 -15.964 -3.939 352 1HG LYS 46 1HG LYS 46 -6.760 -17.977 -4.102 353 2HG LYS 46 2HG LYS 46 -7.506 -17.189 -5.505 354 1HD LYS 46 1HD LYS 46 -5.314 -17.123 -6.662 355 2HD LYS 46 2HD LYS 46 -4.529 -17.736 -5.193 356 1HE LYS 46 2HE LYS 46 -6.290 -19.736 -5.534 357 2HE LYS 46 1HE LYS 46 -4.645 -19.714 -6.165 358 1HZ LYS 46 1HZ LYS 46 -5.492 -18.875 -8.227 359 2HZ LYS 46 2HZ LYS 46 -6.031 -20.348 -7.873 360 3HZ LYS 46 3HZ LYS 46 -7.077 -19.076 -7.695 361 H GLU 47 H GLU 47 -4.759 -15.099 -2.243 362 HA GLU 47 HA GLU 47 -5.235 -12.344 -1.415 363 1HB GLU 47 1HB GLU 47 -5.473 -13.663 0.604 364 2HB GLU 47 2HB GLU 47 -3.977 -14.534 0.272 365 1HG GLU 47 1HG GLU 47 -2.611 -12.652 0.779 366 2HG GLU 47 2HG GLU 47 -3.972 -11.533 0.650 367 H ALA 48 H ALA 48 -3.418 -11.054 -1.576 368 HA ALA 48 HA ALA 48 -1.016 -12.037 -3.005 369 1HB ALA 48 1HB ALA 48 -2.701 -9.570 -3.651 370 2HB ALA 48 3HB ALA 48 -2.552 -11.014 -4.665 371 3HB ALA 48 2HB ALA 48 -1.138 -9.974 -4.378 372 H THR 49 H THR 49 0.744 -10.253 -2.723 373 HA THR 49 HA THR 49 0.255 -8.245 -0.699 374 HB THR 49 HB THR 49 2.107 -10.631 -0.139 375 HG1 THR 49 HG1 THR 49 -0.211 -10.389 0.560 376 1HG2 THR 49 1HG2 THR 49 2.076 -7.985 1.399 377 2HG2 THR 49 2HG2 THR 49 2.964 -9.449 1.834 378 3HG2 THR 49 3HG2 THR 49 3.435 -8.592 0.409 379 H TRP 50 H TRP 50 1.790 -6.578 -0.902 380 HA TRP 50 HA TRP 50 4.102 -6.988 -2.770 381 1HB TRP 50 1HB TRP 50 1.911 -4.920 -2.655 382 2HB TRP 50 2HB TRP 50 3.552 -4.316 -2.837 383 HD1 TRP 50 HD1 TRP 50 4.655 -4.479 -5.277 384 HE1 TRP 50 HE1 TRP 50 3.667 -5.007 -7.514 385 HE3 TRP 50 HE3 TRP 50 0.405 -6.840 -3.680 386 HZ2 TRP 50 HZ2 TRP 50 1.370 -6.498 -8.529 387 HZ3 TRP 50 HZ3 TRP 50 -1.193 -7.790 -5.309 388 HH2 TRP 50 HH2 TRP 50 -0.791 -7.626 -7.709 389 H VAL 51 H VAL 51 5.964 -6.759 -1.513 390 HA VAL 51 HA VAL 51 5.759 -5.731 1.234 391 HB VAL 51 HB VAL 51 8.085 -6.818 -0.389 392 1HG1 VAL 51 1HG1 VAL 51 7.817 -6.073 2.526 393 2HG1 VAL 51 2HG1 VAL 51 9.113 -7.103 1.939 394 3HG1 VAL 51 3HG1 VAL 51 8.983 -5.444 1.337 395 1HG2 VAL 51 1HG2 VAL 51 6.326 -8.283 1.594 396 2HG2 VAL 51 2HG2 VAL 51 6.535 -8.640 -0.141 397 3HG2 VAL 51 3HG2 VAL 51 7.866 -8.898 0.971 398 H VAL 52 H VAL 52 6.311 -3.537 1.676 399 HA VAL 52 HA VAL 52 7.525 -1.952 -0.558 400 HB VAL 52 HB VAL 52 5.730 -1.160 1.755 401 1HG1 VAL 52 1HG1 VAL 52 7.463 0.601 1.163 402 2HG1 VAL 52 2HG1 VAL 52 6.757 0.666 -0.447 403 3HG1 VAL 52 3HG1 VAL 52 5.772 1.115 0.955 404 1HG2 VAL 52 1HG2 VAL 52 4.567 -2.207 -0.237 405 2HG2 VAL 52 2HG2 VAL 52 4.122 -0.521 0.089 406 3HG2 VAL 52 3HG2 VAL 52 5.224 -0.914 -1.243 407 H ASP 53 H ASP 53 9.718 -1.869 -0.203 408 HA ASP 53 HA ASP 53 10.721 -1.785 2.585 409 1HB ASP 53 1HB ASP 53 12.030 -3.095 0.876 410 2HB ASP 53 2HB ASP 53 12.452 -1.554 0.112 411 H VAL 54 H VAL 54 10.456 0.115 3.489 412 HA VAL 54 HA VAL 54 11.507 2.480 2.109 413 HB VAL 54 HB VAL 54 9.627 3.826 3.316 414 1HG1 VAL 54 1HG1 VAL 54 9.054 2.270 0.794 415 2HG1 VAL 54 2HG1 VAL 54 8.151 3.687 1.372 416 3HG1 VAL 54 3HG1 VAL 54 9.858 3.852 0.958 417 1HG2 VAL 54 1HG2 VAL 54 8.247 1.101 3.144 418 2HG2 VAL 54 2HG2 VAL 54 8.625 2.060 4.577 419 3HG2 VAL 54 3HG2 VAL 54 7.451 2.654 3.393 420 H LYS 55 H LYS 55 12.988 0.864 3.664 421 HA LYS 55 HA LYS 55 13.574 2.830 5.812 422 1HB LYS 55 1HB LYS 55 12.577 0.460 6.621 423 2HB LYS 55 2HB LYS 55 14.238 -0.047 6.438 424 1HG LYS 55 1HG LYS 55 13.339 2.351 8.104 425 2HG LYS 55 2HG LYS 55 13.586 0.732 8.753 426 1HD LYS 55 1HD LYS 55 15.988 0.843 8.156 427 2HD LYS 55 2HD LYS 55 15.723 2.429 7.430 428 1HE LYS 55 2HE LYS 55 15.078 3.401 9.573 429 2HE LYS 55 1HE LYS 55 16.736 2.803 9.504 430 1HZ LYS 55 1HZ LYS 55 15.754 0.717 10.588 431 2HZ LYS 55 2HZ LYS 55 15.952 2.059 11.530 432 3HZ LYS 55 3HZ LYS 55 14.477 1.645 10.981 433 H ASN 56 H ASN 56 14.683 0.043 3.826 434 HA ASN 56 HA ASN 56 17.471 0.795 4.394 435 1HB ASN 56 1HB ASN 56 16.019 -1.605 3.290 436 2HB ASN 56 2HB ASN 56 17.658 -1.322 2.758 437 2HD2 ASN 56 1HD2 ASN 56 15.747 -2.449 5.365 438 1HD2 ASN 56 2HD2 ASN 56 17.011 -2.598 6.560 439 H GLY 57 H GLY 57 18.897 1.639 2.980 440 1HA GLY 57 1HA GLY 57 19.671 2.791 1.174 441 2HA GLY 57 2HA GLY 57 18.800 1.593 0.209 442 H LYS 58 H LYS 58 18.074 2.915 -1.329 443 HA LYS 58 HA LYS 58 16.374 5.208 -0.732 444 1HB LYS 58 2HB LYS 58 16.398 5.803 -2.973 445 2HB LYS 58 1HB LYS 58 16.672 4.152 -3.498 446 1HG LYS 58 1HG LYS 58 18.813 5.653 -2.009 447 2HG LYS 58 2HG LYS 58 18.962 4.147 -2.904 448 1HD LYS 58 2HD LYS 58 18.179 5.615 -4.973 449 2HD LYS 58 1HD LYS 58 19.874 5.655 -4.438 450 1HE LYS 58 1HE LYS 58 17.872 7.540 -3.219 451 2HE LYS 58 2HE LYS 58 19.622 7.695 -3.252 452 1HZ LYS 58 1HZ LYS 58 17.772 8.006 -5.529 453 2HZ LYS 58 2HZ LYS 58 18.463 9.224 -4.668 454 3HZ LYS 58 3HZ LYS 58 19.410 8.225 -5.628 455 H GLY 59 H GLY 59 15.745 1.895 -0.572 456 1HA GLY 59 1HA GLY 59 13.775 0.883 -0.293 457 2HA GLY 59 2HA GLY 59 12.933 2.392 -0.641 458 H SER 60 H SER 60 12.273 -0.180 -1.542 459 HA SER 60 HA SER 60 11.303 0.421 -4.064 460 1HB SER 60 1HB SER 60 13.507 -1.655 -4.023 461 2HB SER 60 2HB SER 60 12.205 -1.785 -5.189 462 HG SER 60 HG SER 60 13.108 -0.312 -6.352 463 H VAL 61 H VAL 61 9.773 -1.230 -4.740 464 HA VAL 61 HA VAL 61 8.579 -2.577 -2.423 465 HB VAL 61 HB VAL 61 7.492 -2.062 -5.201 466 1HG1 VAL 61 1HG1 VAL 61 6.328 -3.888 -3.963 467 2HG1 VAL 61 2HG1 VAL 61 5.911 -2.729 -2.687 468 3HG1 VAL 61 3HG1 VAL 61 5.284 -2.509 -4.333 469 1HG2 VAL 61 1HG2 VAL 61 7.895 0.104 -4.053 470 2HG2 VAL 61 2HG2 VAL 61 6.180 -0.211 -4.299 471 3HG2 VAL 61 3HG2 VAL 61 6.912 -0.436 -2.691 472 H LEU 62 H LEU 62 8.655 -4.755 -2.350 473 HA LEU 62 HA LEU 62 10.240 -6.151 -4.456 474 1HB LEU 62 1HB LEU 62 9.860 -6.710 -1.515 475 2HB LEU 62 2HB LEU 62 10.816 -7.693 -2.599 476 HG LEU 62 HG LEU 62 11.495 -4.756 -2.525 477 1HD1 LEU 62 1HD1 LEU 62 11.065 -5.164 -0.152 478 2HD1 LEU 62 2HD1 LEU 62 12.214 -6.528 -0.176 479 3HD1 LEU 62 3HD1 LEU 62 12.772 -4.884 -0.482 480 1HD2 LEU 62 1HD2 LEU 62 13.171 -7.288 -2.518 481 2HD2 LEU 62 2HD2 LEU 62 12.750 -6.297 -3.937 482 3HD2 LEU 62 3HD2 LEU 62 13.783 -5.631 -2.664 483 HA PRO 63 HA PRO 63 5.921 -7.483 -4.995 484 1HB PRO 63 1HB PRO 63 6.076 -8.558 -7.478 485 2HB PRO 63 2HB PRO 63 6.189 -6.797 -7.227 486 1HG PRO 63 2HG PRO 63 8.238 -7.246 -8.404 487 2HG PRO 63 1HG PRO 63 8.469 -8.791 -7.540 488 1HD PRO 63 1HD PRO 63 9.812 -7.436 -6.203 489 2HD PRO 63 2HD PRO 63 8.847 -5.978 -6.530 490 H ASN 64 H ASN 64 4.861 -9.511 -4.844 491 HA ASN 64 HA ASN 64 4.584 -11.557 -3.979 492 1HB ASN 64 2HB ASN 64 5.012 -13.226 -5.498 493 2HB ASN 64 1HB ASN 64 6.532 -12.534 -6.050 494 2HD2 ASN 64 1HD2 ASN 64 4.685 -13.595 -7.804 495 1HD2 ASN 64 2HD2 ASN 64 3.965 -12.298 -8.750 496 H SER 65 H SER 65 7.070 -10.184 -2.877 497 HA SER 65 HA SER 65 9.152 -11.990 -2.935 498 1HB SER 65 1HB SER 65 9.213 -9.516 -2.803 499 2HB SER 65 2HB SER 65 8.733 -9.613 -1.102 500 HG SER 65 HG SER 65 10.781 -9.566 -0.880 501 H ASP 66 H ASP 66 10.354 -12.923 -1.276 502 HA ASP 66 HA ASP 66 8.772 -14.285 0.818 503 1HB ASP 66 2HB ASP 66 10.626 -15.399 -0.759 504 2HB ASP 66 1HB ASP 66 10.309 -15.916 0.888 505 H LYS 67 H LYS 67 11.043 -11.615 0.367 506 HA LYS 67 HA LYS 67 12.245 -12.000 2.923 507 1HB LYS 67 1HB LYS 67 13.498 -11.084 1.107 508 2HB LYS 67 2HB LYS 67 12.529 -9.629 1.042 509 1HG LYS 67 1HG LYS 67 13.978 -10.421 3.580 510 2HG LYS 67 2HG LYS 67 14.847 -9.628 2.279 511 1HD LYS 67 1HD LYS 67 13.664 -7.632 2.485 512 2HD LYS 67 2HD LYS 67 12.307 -8.369 3.311 513 1HE LYS 67 1HE LYS 67 13.906 -8.931 5.241 514 2HE LYS 67 2HE LYS 67 15.075 -7.846 4.456 515 1HZ LYS 67 1HZ LYS 67 12.352 -7.101 5.310 516 2HZ LYS 67 2HZ LYS 67 13.750 -6.714 6.120 517 3HZ LYS 67 3HZ LYS 67 13.465 -6.092 4.609 518 H LYS 68 H LYS 68 11.791 -11.236 4.847 519 HA LYS 68 HA LYS 68 9.077 -10.680 5.297 520 1HB LYS 68 1HB LYS 68 9.704 -11.080 7.598 521 2HB LYS 68 2HB LYS 68 10.754 -12.082 6.610 522 1HG LYS 68 1HG LYS 68 12.363 -9.911 6.760 523 2HG LYS 68 2HG LYS 68 11.405 -9.588 8.181 524 1HD LYS 68 1HD LYS 68 12.004 -12.103 8.826 525 2HD LYS 68 2HD LYS 68 13.240 -11.913 7.588 526 1HE LYS 68 2HE LYS 68 13.989 -9.807 8.809 527 2HE LYS 68 1HE LYS 68 14.337 -11.348 9.594 528 1HZ LYS 68 1HZ LYS 68 11.904 -9.821 10.270 529 2HZ LYS 68 2HZ LYS 68 12.601 -11.037 11.096 530 3HZ LYS 68 3HZ LYS 68 13.353 -9.569 11.034 531 H ALA 69 H ALA 69 8.731 -9.209 7.333 532 HA ALA 69 HA ALA 69 8.955 -6.467 6.176 533 1HB ALA 69 1HB ALA 69 6.690 -7.706 6.209 534 2HB ALA 69 2HB ALA 69 6.712 -7.456 7.975 535 3HB ALA 69 3HB ALA 69 6.744 -6.078 6.854 536 H ASP 70 H ASP 70 8.469 -4.675 7.972 537 HA ASP 70 HA ASP 70 9.588 -5.482 10.602 538 1HB ASP 70 1HB ASP 70 9.292 -2.865 9.367 539 2HB ASP 70 2HB ASP 70 8.355 -2.972 10.869 540 H CYS 71 H CYS 71 6.574 -4.292 9.093 541 HA CYS 71 HA CYS 71 4.937 -6.006 10.848 542 1HB CYS 71 1HB CYS 71 4.639 -2.988 10.560 543 2HB CYS 71 2HB CYS 71 3.466 -4.050 11.350 544 H THR 72 H THR 72 2.409 -5.254 9.982 545 HA THR 72 HA THR 72 2.561 -5.556 7.016 546 HB THR 72 HB THR 72 1.017 -7.371 8.890 547 HG1 THR 72 HG1 THR 72 2.906 -8.136 9.177 548 1HG2 THR 72 1HG2 THR 72 1.492 -7.603 5.881 549 2HG2 THR 72 2HG2 THR 72 0.918 -8.924 6.891 550 3HG2 THR 72 3HG2 THR 72 -0.068 -7.480 6.713 551 H ILE 73 H ILE 73 -0.075 -5.608 6.324 552 HA ILE 73 HA ILE 73 -1.707 -4.236 8.286 553 HB ILE 73 HB ILE 73 -0.234 -2.540 6.808 554 1HG1 ILE 73 1HG1 ILE 73 -3.163 -2.101 7.414 555 2HG1 ILE 73 2HG1 ILE 73 -1.822 -2.033 8.578 556 1HG2 ILE 73 1HG2 ILE 73 -0.960 -3.554 4.681 557 2HG2 ILE 73 2HG2 ILE 73 -2.609 -2.978 4.982 558 3HG2 ILE 73 3HG2 ILE 73 -1.278 -1.815 4.766 559 1HD1 ILE 73 1HD1 ILE 73 -0.731 -0.249 7.203 560 2HD1 ILE 73 2HD1 ILE 73 -2.170 -0.197 6.160 561 3HD1 ILE 73 3HD1 ILE 73 -2.292 0.230 7.872 562 H THR 74 H THR 74 -4.057 -4.615 7.743 563 HA THR 74 HA THR 74 -4.430 -6.547 5.485 564 HB THR 74 HB THR 74 -5.950 -6.144 8.095 565 HG1 THR 74 HG1 THR 74 -4.603 -7.469 8.856 566 1HG2 THR 74 1HG2 THR 74 -6.363 -8.171 5.843 567 2HG2 THR 74 2HG2 THR 74 -7.112 -8.305 7.445 568 3HG2 THR 74 3HG2 THR 74 -7.515 -6.933 6.410 569 H MET 75 H MET 75 -5.782 -5.713 3.845 570 HA MET 75 HA MET 75 -8.001 -3.988 4.789 571 1HB MET 75 1HB MET 75 -5.911 -3.077 2.891 572 2HB MET 75 2HB MET 75 -7.573 -2.731 2.416 573 1HG MET 75 1HG MET 75 -8.010 -1.606 4.503 574 2HG MET 75 2HG MET 75 -6.483 -2.149 5.177 575 1HE MET 75 1HE MET 75 -4.137 -1.413 4.361 576 2HE MET 75 2HE MET 75 -3.901 0.349 4.326 577 3HE MET 75 3HE MET 75 -4.707 -0.417 5.713 578 H ALA 76 H ALA 76 -6.791 -5.708 1.924 579 HA ALA 76 HA ALA 76 -7.970 -7.488 0.758 580 1HB ALA 76 1HB ALA 76 -10.271 -7.206 1.907 581 2HB ALA 76 2HB ALA 76 -10.449 -5.697 1.005 582 3HB ALA 76 3HB ALA 76 -10.325 -7.242 0.162 583 H ASP 77 H ASP 77 -8.499 -7.291 -1.500 584 HA ASP 77 HA ASP 77 -7.224 -5.075 -2.833 585 1HB ASP 77 1HB ASP 77 -7.863 -7.575 -3.575 586 2HB ASP 77 2HB ASP 77 -9.262 -6.784 -4.243 587 H SER 78 H SER 78 -10.564 -6.031 -2.154 588 HA SER 78 HA SER 78 -11.936 -4.103 -3.658 589 1HB SER 78 2HB SER 78 -13.855 -4.510 -2.373 590 2HB SER 78 1HB SER 78 -12.961 -4.504 -0.840 591 HG SER 78 HG SER 78 -13.000 -6.618 -2.721 592 H ASP 79 H ASP 79 -10.306 -3.776 -0.627 593 HA ASP 79 HA ASP 79 -11.571 -1.117 -0.090 594 1HB ASP 79 1HB ASP 79 -11.606 -2.603 1.798 595 2HB ASP 79 2HB ASP 79 -9.904 -2.987 1.607 596 H PHE 80 H PHE 80 -8.264 -2.595 -0.335 597 HA PHE 80 HA PHE 80 -6.747 -0.226 -0.202 598 1HB PHE 80 1HB PHE 80 -6.337 -2.877 -1.650 599 2HB PHE 80 2HB PHE 80 -5.185 -1.576 -1.823 600 HD1 PHE 80 HD1 PHE 80 -4.455 -0.466 0.613 601 HD2 PHE 80 HD2 PHE 80 -5.532 -4.532 -0.239 602 HE1 PHE 80 HE1 PHE 80 -2.902 -1.234 2.353 603 HE2 PHE 80 HE2 PHE 80 -3.964 -5.309 1.513 604 HZ PHE 80 HZ PHE 80 -2.643 -3.708 2.817 605 H LEU 81 H LEU 81 -8.366 -1.767 -3.017 606 HA LEU 81 HA LEU 81 -7.239 -0.079 -5.024 607 1HB LEU 81 1HB LEU 81 -8.338 -2.292 -5.354 608 2HB LEU 81 2HB LEU 81 -9.884 -1.603 -4.900 609 HG LEU 81 HG LEU 81 -9.814 -0.132 -6.914 610 1HD1 LEU 81 1HD1 LEU 81 -7.327 -1.783 -7.612 611 2HD1 LEU 81 2HD1 LEU 81 -8.223 -0.753 -8.746 612 3HD1 LEU 81 3HD1 LEU 81 -7.391 -0.008 -7.375 613 1HD2 LEU 81 1HD2 LEU 81 -10.872 -2.427 -6.849 614 2HD2 LEU 81 2HD2 LEU 81 -10.306 -1.956 -8.460 615 3HD2 LEU 81 3HD2 LEU 81 -9.337 -3.084 -7.491 616 H ALA 82 H ALA 82 -10.450 -0.154 -3.499 617 HA ALA 82 HA ALA 82 -11.442 2.279 -4.528 618 1HB ALA 82 3HB ALA 82 -13.090 2.169 -2.680 619 2HB ALA 82 1HB ALA 82 -12.857 0.589 -3.448 620 3HB ALA 82 2HB ALA 82 -12.105 0.924 -1.887 621 H LEU 83 H LEU 83 -9.445 1.750 -1.638 622 HA LEU 83 HA LEU 83 -9.581 4.246 -0.389 623 1HB LEU 83 1HB LEU 83 -8.500 2.191 0.477 624 2HB LEU 83 2HB LEU 83 -7.152 2.420 -0.627 625 HG LEU 83 HG LEU 83 -7.950 4.279 1.647 626 1HD1 LEU 83 1HD1 LEU 83 -7.101 2.032 2.314 627 2HD1 LEU 83 2HD1 LEU 83 -5.623 2.342 1.413 628 3HD1 LEU 83 3HD1 LEU 83 -6.039 3.351 2.819 629 1HD2 LEU 83 1HD2 LEU 83 -5.488 4.371 -0.158 630 2HD2 LEU 83 2HD2 LEU 83 -6.726 5.634 0.037 631 3HD2 LEU 83 3HD2 LEU 83 -5.652 5.262 1.373 632 H MET 84 H MET 84 -6.867 3.253 -2.677 633 HA MET 84 HA MET 84 -6.050 5.993 -2.797 634 1HB MET 84 1HB MET 84 -4.612 5.128 -4.678 635 2HB MET 84 2HB MET 84 -4.323 4.476 -3.052 636 1HG MET 84 1HG MET 84 -5.011 2.371 -3.629 637 2HG MET 84 2HG MET 84 -6.206 2.943 -4.796 638 1HE MET 84 1HE MET 84 -2.378 2.217 -4.174 639 2HE MET 84 2HE MET 84 -1.684 2.567 -5.770 640 3HE MET 84 3HE MET 84 -2.289 3.887 -4.776 641 H THR 85 H THR 85 -8.123 3.994 -4.863 642 HA THR 85 HA THR 85 -7.976 5.659 -7.180 643 HB THR 85 HB THR 85 -10.003 3.532 -6.357 644 HG1 THR 85 HG1 THR 85 -8.179 2.527 -6.262 645 1HG2 THR 85 1HG2 THR 85 -9.176 4.456 -9.127 646 2HG2 THR 85 2HG2 THR 85 -10.076 2.962 -8.784 647 3HG2 THR 85 3HG2 THR 85 -10.800 4.535 -8.411 648 H GLY 86 H GLY 86 -9.627 6.209 -4.236 649 1HA GLY 86 1HA GLY 86 -10.519 8.435 -3.964 650 2HA GLY 86 2HA GLY 86 -11.225 8.345 -5.578 651 H LYS 87 H LYS 87 -11.327 6.579 -2.462 652 HA LYS 87 HA LYS 87 -14.221 7.074 -2.381 653 1HB LYS 87 1HB LYS 87 -13.670 4.680 -3.328 654 2HB LYS 87 2HB LYS 87 -13.087 4.353 -1.699 655 1HG LYS 87 2HG LYS 87 -15.442 5.233 -0.932 656 2HG LYS 87 1HG LYS 87 -15.321 3.606 -1.595 657 1HD LYS 87 1HD LYS 87 -17.184 5.304 -2.428 658 2HD LYS 87 2HD LYS 87 -15.919 5.892 -3.505 659 1HE LYS 87 1HE LYS 87 -15.631 3.582 -4.404 660 2HE LYS 87 2HE LYS 87 -16.806 2.981 -3.223 661 1HZ LYS 87 1HZ LYS 87 -18.470 4.458 -4.326 662 2HZ LYS 87 2HZ LYS 87 -17.392 4.679 -5.567 663 3HZ LYS 87 3HZ LYS 87 -17.941 3.189 -5.188 664 H MET 88 H MET 88 -11.311 5.715 -0.696 665 HA MET 88 HA MET 88 -12.160 7.131 1.781 666 1HB MET 88 1HB MET 88 -11.241 4.288 1.307 667 2HB MET 88 2HB MET 88 -10.801 5.096 2.818 668 1HG MET 88 1HG MET 88 -13.654 5.026 1.796 669 2HG MET 88 2HG MET 88 -12.977 3.771 2.828 670 1HE MET 88 1HE MET 88 -15.419 4.721 4.071 671 2HE MET 88 2HE MET 88 -15.466 6.273 4.932 672 3HE MET 88 3HE MET 88 -15.477 6.249 3.159 673 H ASN 89 H ASN 89 -10.906 8.860 1.711 674 HA ASN 89 HA ASN 89 -8.121 8.890 0.970 675 1HB ASN 89 1HB ASN 89 -10.109 10.827 1.883 676 2HB ASN 89 2HB ASN 89 -8.660 10.982 2.846 677 2HD2 ASN 89 1HD2 ASN 89 -9.833 10.956 -0.546 678 1HD2 ASN 89 2HD2 ASN 89 -8.521 11.936 -1.168 679 HA PRO 90 HA PRO 90 -7.155 8.738 5.575 680 1HB PRO 90 1HB PRO 90 -8.915 8.217 7.566 681 2HB PRO 90 2HB PRO 90 -9.021 9.726 6.627 682 1HG PRO 90 2HG PRO 90 -11.224 8.779 6.385 683 2HG PRO 90 1HG PRO 90 -10.548 7.147 6.108 684 1HD PRO 90 1HD PRO 90 -10.758 7.810 3.900 685 2HD PRO 90 2HD PRO 90 -10.499 9.544 4.272 686 H GLN 91 H GLN 91 -7.590 6.881 7.668 687 HA GLN 91 HA GLN 91 -6.369 4.481 6.756 688 1HB GLN 91 1HB GLN 91 -6.115 5.515 9.004 689 2HB GLN 91 2HB GLN 91 -7.792 5.094 9.385 690 1HG GLN 91 1HG GLN 91 -7.215 2.676 9.106 691 2HG GLN 91 2HG GLN 91 -5.583 3.132 8.660 692 2HE2 GLN 91 1HE2 GLN 91 -4.380 4.482 10.429 693 1HE2 GLN 91 2HE2 GLN 91 -4.645 3.969 12.086 694 H SER 92 H SER 92 -7.877 3.839 4.970 695 HA SER 92 HA SER 92 -10.562 3.303 5.298 696 1HB SER 92 1HB SER 92 -9.116 3.164 3.185 697 2HB SER 92 2HB SER 92 -8.804 1.476 3.641 698 HG SER 92 HG SER 92 -10.815 0.971 3.255 699 H ALA 93 H ALA 93 -7.833 1.077 6.309 700 HA ALA 93 HA ALA 93 -9.480 -1.086 6.883 701 1HB ALA 93 1HB ALA 93 -6.881 -0.794 6.759 702 2HB ALA 93 3HB ALA 93 -7.655 -2.030 7.761 703 3HB ALA 93 2HB ALA 93 -7.044 -0.491 8.482 704 H PHE 94 H PHE 94 -9.369 1.948 8.547 705 HA PHE 94 HA PHE 94 -10.267 1.020 11.173 706 1HB PHE 94 1HB PHE 94 -8.978 3.176 10.720 707 2HB PHE 94 2HB PHE 94 -10.401 3.788 9.895 708 HD1 PHE 94 HD1 PHE 94 -9.223 2.485 13.180 709 HD2 PHE 94 HD2 PHE 94 -12.133 4.871 11.081 710 HE1 PHE 94 HE1 PHE 94 -10.018 3.415 15.339 711 HE2 PHE 94 HE2 PHE 94 -12.945 5.775 13.227 712 HZ PHE 94 HZ PHE 94 -11.893 5.019 15.377 713 H PHE 95 H PHE 95 -11.594 2.446 8.178 714 HA PHE 95 HA PHE 95 -14.280 2.741 9.007 715 1HB PHE 95 1HB PHE 95 -13.597 4.010 7.175 716 2HB PHE 95 2HB PHE 95 -12.823 2.678 6.369 717 HD1 PHE 95 HD1 PHE 95 -16.301 3.636 7.517 718 HD2 PHE 95 HD2 PHE 95 -13.822 1.835 4.471 719 HE1 PHE 95 HE1 PHE 95 -18.294 3.289 6.086 720 HE2 PHE 95 HE2 PHE 95 -15.835 1.458 3.068 721 HZ PHE 95 HZ PHE 95 -18.062 2.201 3.870 722 H GLN 96 H GLN 96 -12.776 0.003 7.027 723 HA GLN 96 HA GLN 96 -15.119 -1.641 7.334 724 1HB GLN 96 1HB GLN 96 -13.572 -3.422 6.640 725 2HB GLN 96 2HB GLN 96 -13.585 -2.066 5.528 726 1HG GLN 96 1HG GLN 96 -11.467 -1.313 6.283 727 2HG GLN 96 2HG GLN 96 -11.459 -2.403 7.684 728 2HE2 GLN 96 1HE2 GLN 96 -11.106 -2.178 4.180 729 1HE2 GLN 96 2HE2 GLN 96 -10.358 -3.760 3.982 730 H GLY 97 H GLY 97 -12.598 -0.723 9.492 731 1HA GLY 97 1HA GLY 97 -11.845 -1.373 11.485 732 2HA GLY 97 2HA GLY 97 -13.560 -1.593 11.815 733 H LYS 98 H LYS 98 -11.455 -3.618 9.670 734 HA LYS 98 HA LYS 98 -12.216 -6.033 11.003 735 1HB LYS 98 1HB LYS 98 -10.459 -5.100 8.706 736 2HB LYS 98 2HB LYS 98 -10.397 -6.761 9.160 737 1HG LYS 98 1HG LYS 98 -12.991 -5.336 8.397 738 2HG LYS 98 2HG LYS 98 -11.963 -6.223 7.290 739 1HD LYS 98 1HD LYS 98 -12.244 -8.282 8.685 740 2HD LYS 98 2HD LYS 98 -13.316 -7.389 9.739 741 1HE LYS 98 1HE LYS 98 -14.672 -8.733 8.371 742 2HE LYS 98 2HE LYS 98 -14.920 -7.055 7.875 743 1HZ LYS 98 1HZ LYS 98 -13.062 -8.898 6.486 744 2HZ LYS 98 2HZ LYS 98 -14.634 -8.695 6.030 745 3HZ LYS 98 3HZ LYS 98 -13.626 -7.421 5.963 746 H LEU 99 H LEU 99 -8.933 -5.621 10.122 747 HA LEU 99 HA LEU 99 -7.854 -5.443 12.806 748 1HB LEU 99 1HB LEU 99 -6.974 -7.613 13.082 749 2HB LEU 99 2HB LEU 99 -8.717 -7.665 12.971 750 HG LEU 99 HG LEU 99 -6.613 -8.814 11.111 751 1HD1 LEU 99 1HD1 LEU 99 -9.060 -9.849 12.612 752 2HD1 LEU 99 2HD1 LEU 99 -8.178 -10.834 11.470 753 3HD1 LEU 99 3HD1 LEU 99 -7.355 -10.215 12.924 754 1HD2 LEU 99 1HD2 LEU 99 -9.547 -8.509 10.368 755 2HD2 LEU 99 2HD2 LEU 99 -8.161 -7.753 9.534 756 3HD2 LEU 99 3HD2 LEU 99 -8.358 -9.504 9.512 757 H LYS 100 H LYS 100 -6.996 -3.702 11.541 758 HA LYS 100 HA LYS 100 -4.933 -4.404 9.565 759 1HB LYS 100 2HB LYS 100 -6.503 -2.476 9.408 760 2HB LYS 100 1HB LYS 100 -4.865 -2.134 8.984 761 1HG LYS 100 1HG LYS 100 -4.660 -1.075 11.361 762 2HG LYS 100 2HG LYS 100 -5.610 -0.265 10.157 763 1HD LYS 100 2HD LYS 100 -7.661 -1.583 11.276 764 2HD LYS 100 1HD LYS 100 -7.060 -0.016 11.809 765 1HE LYS 100 1HE LYS 100 -6.453 -2.717 13.093 766 2HE LYS 100 2HE LYS 100 -5.499 -1.268 13.405 767 1HZ LYS 100 1HZ LYS 100 -8.399 -1.423 13.912 768 2HZ LYS 100 2HZ LYS 100 -7.197 -1.533 15.034 769 3HZ LYS 100 3HZ LYS 100 -7.385 -0.145 14.198 770 H ILE 101 H ILE 101 -2.677 -3.621 9.979 771 HA ILE 101 HA ILE 101 -2.015 -4.406 12.758 772 HB ILE 101 HB ILE 101 -0.851 -4.987 10.046 773 1HG1 ILE 101 1HG1 ILE 101 -0.959 -7.376 11.300 774 2HG1 ILE 101 2HG1 ILE 101 -2.307 -6.558 12.094 775 1HG2 ILE 101 1HG2 ILE 101 0.534 -5.539 12.665 776 2HG2 ILE 101 2HG2 ILE 101 0.980 -6.220 11.084 777 3HG2 ILE 101 3HG2 ILE 101 1.081 -4.476 11.329 778 1HD1 ILE 101 1HD1 ILE 101 -3.266 -6.102 9.803 779 2HD1 ILE 101 2HD1 ILE 101 -1.906 -7.006 9.101 780 3HD1 ILE 101 3HD1 ILE 101 -3.072 -7.818 10.169 781 H THR 102 H THR 102 0.332 -3.577 13.291 782 HA THR 102 HA THR 102 0.093 -0.620 13.101 783 HB THR 102 HB THR 102 1.661 -0.659 15.087 784 HG1 THR 102 HG1 THR 102 0.752 -3.292 15.510 785 1HG2 THR 102 1HG2 THR 102 -0.755 -0.207 15.305 786 2HG2 THR 102 2HG2 THR 102 -1.054 -1.946 15.500 787 3HG2 THR 102 3HG2 THR 102 -0.100 -1.063 16.712 788 H GLY 103 H GLY 103 2.823 0.023 13.647 789 1HA GLY 103 1HA GLY 103 4.956 -0.225 12.681 790 2HA GLY 103 2HA GLY 103 4.261 -1.035 11.266 791 H ASN 104 H ASN 104 5.376 1.815 12.407 792 HA ASN 104 HA ASN 104 5.435 3.939 11.850 793 1HB ASN 104 1HB ASN 104 5.686 3.381 9.499 794 2HB ASN 104 2HB ASN 104 3.932 3.240 9.305 795 2HD2 ASN 104 1HD2 ASN 104 2.684 5.363 10.128 796 1HD2 ASN 104 2HD2 ASN 104 3.414 6.876 9.626 797 H MET 105 H MET 105 4.427 5.249 13.145 798 HA MET 105 HA MET 105 1.800 5.144 14.059 799 1HB MET 105 2HB MET 105 2.175 7.440 14.795 800 2HB MET 105 1HB MET 105 3.612 7.587 13.780 801 1HG MET 105 2HG MET 105 3.385 5.524 15.978 802 2HG MET 105 1HG MET 105 3.907 7.178 16.267 803 1HE MET 105 1HE MET 105 5.124 3.920 16.283 804 2HE MET 105 2HE MET 105 4.963 3.702 14.536 805 3HE MET 105 3HE MET 105 6.578 3.779 15.267 806 H GLY 106 H GLY 106 0.136 5.089 12.647 807 1HA GLY 106 1HA GLY 106 -1.486 5.784 11.201 808 2HA GLY 106 2HA GLY 106 -1.087 7.393 11.792 809 H LEU 107 H LEU 107 0.222 4.990 9.423 810 HA LEU 107 HA LEU 107 1.482 7.045 7.864 811 1HB LEU 107 2HB LEU 107 2.345 4.710 7.984 812 2HB LEU 107 1HB LEU 107 2.249 5.429 6.406 813 HG LEU 107 HG LEU 107 0.210 4.009 5.954 814 1HD1 LEU 107 1HD1 LEU 107 2.812 2.634 6.802 815 2HD1 LEU 107 2HD1 LEU 107 1.596 1.951 5.701 816 3HD1 LEU 107 3HD1 LEU 107 2.501 3.400 5.240 817 1HD2 LEU 107 1HD2 LEU 107 0.972 2.776 8.643 818 2HD2 LEU 107 2HD2 LEU 107 -0.584 3.541 8.224 819 3HD2 LEU 107 3HD2 LEU 107 -0.112 2.033 7.452 820 H ALA 108 H ALA 108 -1.773 6.750 8.017 821 HA ALA 108 HA ALA 108 -2.496 6.539 5.256 822 1HB ALA 108 2HB ALA 108 -4.066 7.773 7.550 823 2HB ALA 108 3HB ALA 108 -4.689 7.373 5.942 824 3HB ALA 108 1HB ALA 108 -4.115 6.085 7.015 825 H MET 109 H MET 109 -2.929 9.602 7.190 826 HA MET 109 HA MET 109 -2.948 10.975 4.626 827 1HB MET 109 1HB MET 109 -3.974 12.723 5.679 828 2HB MET 109 2HB MET 109 -4.514 11.356 6.639 829 1HG MET 109 1HG MET 109 -2.688 11.951 8.321 830 2HG MET 109 2HG MET 109 -2.355 13.388 7.357 831 1HE MET 109 1HE MET 109 -2.900 13.642 10.380 832 2HE MET 109 2HE MET 109 -2.694 15.056 9.323 833 3HE MET 109 3HE MET 109 -4.067 14.983 10.439 834 H LYS 110 H LYS 110 -0.285 10.080 6.306 835 HA LYS 110 HA LYS 110 0.989 12.626 6.689 836 1HB LYS 110 1HB LYS 110 1.350 10.527 8.018 837 2HB LYS 110 2HB LYS 110 2.335 9.893 6.706 838 1HG LYS 110 1HG LYS 110 2.955 12.647 7.798 839 2HG LYS 110 2HG LYS 110 3.299 11.278 8.837 840 1HD LYS 110 1HD LYS 110 5.074 10.537 7.584 841 2HD LYS 110 2HD LYS 110 4.360 11.012 6.058 842 1HE LYS 110 1HE LYS 110 6.253 12.431 6.405 843 2HE LYS 110 2HE LYS 110 4.791 13.416 6.597 844 1HZ LYS 110 1HZ LYS 110 5.098 13.173 9.027 845 2HZ LYS 110 2HZ LYS 110 6.467 12.310 8.768 846 3HZ LYS 110 3HZ LYS 110 6.397 13.882 8.296 847 H LEU 111 H LEU 111 0.456 11.036 3.792 848 HA LEU 111 HA LEU 111 2.785 12.315 2.477 849 1HB LEU 111 1HB LEU 111 2.582 10.605 0.708 850 2HB LEU 111 2HB LEU 111 3.121 9.998 2.253 851 HG LEU 111 HG LEU 111 1.517 8.610 0.835 852 1HD1 LEU 111 1HD1 LEU 111 2.143 7.991 3.089 853 2HD1 LEU 111 2HD1 LEU 111 0.809 8.959 3.758 854 3HD1 LEU 111 3HD1 LEU 111 0.476 7.556 2.736 855 1HD2 LEU 111 1HD2 LEU 111 -0.193 10.315 0.358 856 2HD2 LEU 111 2HD2 LEU 111 -0.843 8.852 1.074 857 3HD2 LEU 111 3HD2 LEU 111 -0.668 10.298 2.075 858 H GLN 112 H GLN 112 2.118 12.449 -0.048 859 HA GLN 112 HA GLN 112 -0.641 13.583 -0.266 860 1HB GLN 112 1HB GLN 112 1.982 14.700 -1.242 861 2HB GLN 112 2HB GLN 112 0.688 14.635 -2.416 862 1HG GLN 112 1HG GLN 112 0.318 16.706 -1.599 863 2HG GLN 112 2HG GLN 112 -0.818 15.781 -0.630 864 2HE2 GLN 112 1HE2 GLN 112 -0.817 16.906 1.384 865 1HE2 GLN 112 2HE2 GLN 112 0.656 17.272 2.263 866 H ASN 113 H ASN 113 2.008 12.414 -2.448 867 HA ASN 113 HA ASN 113 0.098 10.759 -3.996 868 1HB ASN 113 1HB ASN 113 3.142 11.099 -4.168 869 2HB ASN 113 2HB ASN 113 2.153 10.110 -5.246 870 2HD2 ASN 113 1HD2 ASN 113 1.556 11.109 -7.147 871 1HD2 ASN 113 2HD2 ASN 113 1.552 12.863 -7.375 872 H LEU 114 H LEU 114 3.233 9.562 -3.180 873 HA LEU 114 HA LEU 114 3.938 7.509 -2.806 874 1HB LEU 114 1HB LEU 114 3.229 7.925 -0.422 875 2HB LEU 114 2HB LEU 114 1.692 7.145 -0.820 876 HG LEU 114 HG LEU 114 3.222 5.147 -1.612 877 1HD1 LEU 114 1HD1 LEU 114 5.372 6.479 -1.245 878 2HD1 LEU 114 2HD1 LEU 114 5.037 6.426 0.485 879 3HD1 LEU 114 3HD1 LEU 114 5.320 4.915 -0.406 880 1HD2 LEU 114 1HD2 LEU 114 2.760 5.799 1.324 881 2HD2 LEU 114 2HD2 LEU 114 1.622 4.994 0.224 882 3HD2 LEU 114 3HD2 LEU 114 3.133 4.187 0.663 883 H GLN 115 H GLN 115 0.358 7.364 -2.698 884 HA GLN 115 HA GLN 115 0.329 5.171 -4.663 885 1HB GLN 115 1HB GLN 115 -1.049 3.915 -3.097 886 2HB GLN 115 2HB GLN 115 0.479 4.346 -2.374 887 1HG GLN 115 1HG GLN 115 -0.600 6.127 -1.055 888 2HG GLN 115 2HG GLN 115 -2.153 5.646 -1.694 889 2HE2 GLN 115 1HE2 GLN 115 -1.843 5.540 1.078 890 1HE2 GLN 115 2HE2 GLN 115 -1.757 3.842 1.512 891 H LEU 116 H LEU 116 -0.177 7.287 -5.900 892 HA LEU 116 HA LEU 116 -1.545 8.737 -6.872 893 1HB LEU 116 1HB LEU 116 -3.944 7.450 -7.371 894 2HB LEU 116 2HB LEU 116 -2.528 7.547 -8.388 895 HG LEU 116 HG LEU 116 -3.057 5.290 -6.427 896 1HD1 LEU 116 1HD1 LEU 116 -3.657 5.422 -9.408 897 2HD1 LEU 116 2HD1 LEU 116 -3.761 3.970 -8.404 898 3HD1 LEU 116 3HD1 LEU 116 -4.853 5.330 -8.089 899 1HD2 LEU 116 1HD2 LEU 116 -1.121 5.636 -8.734 900 2HD2 LEU 116 2HD2 LEU 116 -0.711 5.262 -7.057 901 3HD2 LEU 116 3HD2 LEU 116 -1.503 4.042 -8.025 902 H GLN 117 H GLN 117 -4.148 9.484 -7.010 903 HA GLN 117 HA GLN 117 -5.477 9.525 -4.538 904 1HB GLN 117 1HB GLN 117 -3.605 11.729 -4.994 905 2HB GLN 117 2HB GLN 117 -5.244 12.339 -5.068 906 1HG GLN 117 1HG GLN 117 -5.676 11.024 -2.872 907 2HG GLN 117 2HG GLN 117 -3.945 10.751 -2.808 908 2HE2 GLN 117 1HE2 GLN 117 -2.523 12.706 -2.597 909 1HE2 GLN 117 2HE2 GLN 117 -3.230 14.183 -1.934 910 HA PRO 118 HA PRO 118 -8.714 10.300 -7.472 911 1HB PRO 118 1HB PRO 118 -10.624 11.880 -6.328 912 2HB PRO 118 2HB PRO 118 -10.214 10.270 -5.685 913 1HG PRO 118 1HG PRO 118 -9.204 12.965 -4.728 914 2HG PRO 118 2HG PRO 118 -9.891 11.626 -3.752 915 1HD PRO 118 1HD PRO 118 -7.216 12.013 -4.091 916 2HD PRO 118 2HD PRO 118 -7.920 10.374 -3.915 917 H GLY 119 H GLY 119 -10.035 11.952 -8.718 918 1HA GLY 119 1HA GLY 119 -9.205 14.749 -8.710 919 2HA GLY 119 2HA GLY 119 -8.736 13.861 -10.169 920 H ASN 120 H ASN 120 -10.475 12.642 -11.297 921 HA ASN 120 HA ASN 120 -13.255 13.490 -10.779 922 1HB ASN 120 1HB ASN 120 -11.617 14.399 -13.127 923 2HB ASN 120 2HB ASN 120 -13.228 13.798 -13.483 924 2HD2 ASN 120 1HD2 ASN 120 -11.616 16.657 -12.575 925 1HD2 ASN 120 2HD2 ASN 120 -12.991 17.447 -11.844 926 H ALA 121 H ALA 121 -13.341 11.333 -10.049 927 HA ALA 121 HA ALA 121 -13.443 9.138 -11.969 928 1HB ALA 121 3HB ALA 121 -13.307 8.677 -9.551 929 2HB ALA 121 2HB ALA 121 -14.842 8.076 -10.208 930 3HB ALA 121 1HB ALA 121 -14.811 9.594 -9.289 931 H LYS 122 H LYS 122 -15.576 8.273 -12.676 932 HA LYS 122 HA LYS 122 -17.879 10.005 -12.325 933 1HB LYS 122 1HB LYS 122 -16.867 10.696 -14.517 934 2HB LYS 122 2HB LYS 122 -17.199 9.089 -15.158 935 1HG LYS 122 1HG LYS 122 -19.460 10.565 -13.821 936 2HG LYS 122 2HG LYS 122 -18.885 11.232 -15.341 937 1HD LYS 122 1HD LYS 122 -19.656 8.310 -15.138 938 2HD LYS 122 2HD LYS 122 -20.871 9.576 -15.321 939 1HE LYS 122 1HE LYS 122 -19.733 10.404 -17.368 940 2HE LYS 122 2HE LYS 122 -18.553 9.081 -17.235 941 1HZ LYS 122 1HZ LYS 122 -21.485 8.707 -17.541 942 2HZ LYS 122 2HZ LYS 122 -20.411 8.549 -18.757 943 3HZ LYS 122 3HZ LYS 122 -20.364 7.519 -17.474 944 H LEU 123 H LEU 123 -18.937 8.678 -11.158 945 HA LEU 123 HA LEU 123 -19.506 6.921 -9.975 946 1HB LEU 123 1HB LEU 123 -21.098 6.859 -12.082 947 2HB LEU 123 2HB LEU 123 -20.271 5.369 -12.430 948 HG LEU 123 HG LEU 123 -22.245 4.802 -11.246 949 1HD1 LEU 123 1HD1 LEU 123 -20.297 3.552 -10.381 950 2HD1 LEU 123 2HD1 LEU 123 -20.079 4.771 -9.113 951 3HD1 LEU 123 3HD1 LEU 123 -21.550 3.771 -9.159 952 1HD2 LEU 123 1HD2 LEU 123 -22.736 7.071 -10.359 953 2HD2 LEU 123 2HD2 LEU 123 -23.005 5.782 -9.180 954 3HD2 LEU 123 3HD2 LEU 123 -21.557 6.796 -9.060 No H/Q in entry = 954 Start of MODEL 12 1 H SER 1 H SER 1 -6.433 -18.142 3.223 2 HA SER 1 HA SER 1 -6.184 -18.485 1.016 3 1HB SER 1 1HB SER 1 -5.638 -15.517 1.283 4 2HB SER 1 2HB SER 1 -5.678 -16.299 -0.308 5 HG SER 1 HG SER 1 -7.757 -16.403 1.637 6 H SER 2 H SER 2 -3.796 -16.591 -0.292 7 HA SER 2 HA SER 2 -1.606 -18.450 0.044 8 1HB SER 2 1HB SER 2 -1.789 -19.104 -2.408 9 2HB SER 2 2HB SER 2 -3.029 -19.797 -1.368 10 HG SER 2 HG SER 2 -4.550 -18.521 -2.259 11 H ALA 3 H ALA 3 -0.659 -17.594 -2.687 12 HA ALA 3 HA ALA 3 -1.253 -14.806 -2.820 13 1HB ALA 3 1HB ALA 3 0.957 -14.649 -1.662 14 2HB ALA 3 3HB ALA 3 0.990 -14.001 -3.311 15 3HB ALA 3 2HB ALA 3 1.692 -15.590 -2.991 16 H SER 4 H SER 4 -1.331 -14.183 -4.942 17 HA SER 4 HA SER 4 -0.313 -15.991 -7.062 18 1HB SER 4 2HB SER 4 -2.459 -15.735 -8.196 19 2HB SER 4 1HB SER 4 -3.085 -14.729 -6.887 20 HG SER 4 HG SER 4 -2.207 -17.413 -6.480 21 H ASP 5 H ASP 5 -0.624 -12.761 -5.786 22 HA ASP 5 HA ASP 5 -0.352 -10.644 -6.708 23 1HB ASP 5 2HB ASP 5 1.825 -10.471 -7.493 24 2HB ASP 5 1HB ASP 5 1.885 -12.180 -7.972 25 H GLY 6 H GLY 6 -2.401 -12.023 -7.988 26 1HA GLY 6 1HA GLY 6 -2.284 -11.075 -10.801 27 2HA GLY 6 2HA GLY 6 -2.730 -12.740 -10.362 28 H PHE 7 H PHE 7 -3.503 -9.366 -9.991 29 HA PHE 7 HA PHE 7 -6.395 -9.729 -10.134 30 1HB PHE 7 2HB PHE 7 -6.856 -8.384 -8.217 31 2HB PHE 7 1HB PHE 7 -5.159 -8.078 -7.908 32 HD1 PHE 7 HD1 PHE 7 -3.711 -9.877 -6.963 33 HD2 PHE 7 HD2 PHE 7 -7.972 -10.386 -7.378 34 HE1 PHE 7 HE1 PHE 7 -3.672 -11.748 -5.350 35 HE2 PHE 7 HE2 PHE 7 -7.925 -12.150 -5.637 36 HZ PHE 7 HZ PHE 7 -5.719 -12.792 -4.599 37 H LYS 8 H LYS 8 -7.227 -7.273 -10.400 38 HA LYS 8 HA LYS 8 -5.548 -6.157 -12.411 39 1HB LYS 8 1HB LYS 8 -8.149 -5.945 -12.063 40 2HB LYS 8 2HB LYS 8 -7.713 -4.513 -11.131 41 1HG LYS 8 1HG LYS 8 -6.149 -4.423 -13.533 42 2HG LYS 8 2HG LYS 8 -7.726 -4.995 -14.033 43 1HD LYS 8 1HD LYS 8 -7.151 -2.388 -12.555 44 2HD LYS 8 2HD LYS 8 -7.372 -2.602 -14.277 45 1HE LYS 8 1HE LYS 8 -9.441 -1.833 -13.683 46 2HE LYS 8 2HE LYS 8 -9.703 -3.576 -13.744 47 1HZ LYS 8 1HZ LYS 8 -9.097 -2.092 -11.260 48 2HZ LYS 8 2HZ LYS 8 -10.621 -2.353 -11.765 49 3HZ LYS 8 3HZ LYS 8 -9.671 -3.638 -11.374 50 H ALA 9 H ALA 9 -5.932 -5.528 -8.988 51 HA ALA 9 HA ALA 9 -4.539 -3.198 -8.564 52 1HB ALA 9 2HB ALA 9 -3.974 -4.213 -6.334 53 2HB ALA 9 1HB ALA 9 -4.536 -5.771 -6.930 54 3HB ALA 9 3HB ALA 9 -5.684 -4.421 -6.781 55 H ASN 10 H ASN 10 -3.049 -5.993 -9.996 56 HA ASN 10 HA ASN 10 -0.422 -5.752 -8.980 57 1HB ASN 10 1HB ASN 10 -1.364 -7.492 -10.664 58 2HB ASN 10 2HB ASN 10 -0.986 -6.299 -11.913 59 2HD2 ASN 10 1HD2 ASN 10 0.267 -8.722 -9.763 60 1HD2 ASN 10 2HD2 ASN 10 1.947 -8.454 -9.950 61 H LEU 11 H LEU 11 -2.132 -3.782 -11.464 62 HA LEU 11 HA LEU 11 0.179 -2.167 -12.091 63 1HB LEU 11 1HB LEU 11 -0.986 -1.394 -13.676 64 2HB LEU 11 2HB LEU 11 -2.097 -2.686 -13.369 65 HG LEU 11 HG LEU 11 -3.176 -0.645 -13.868 66 1HD1 LEU 11 1HD1 LEU 11 -3.737 -1.525 -11.042 67 2HD1 LEU 11 2HD1 LEU 11 -4.732 -0.349 -11.919 68 3HD1 LEU 11 3HD1 LEU 11 -4.534 -1.994 -12.542 69 1HD2 LEU 11 1HD2 LEU 11 -1.279 0.761 -12.816 70 2HD2 LEU 11 2HD2 LEU 11 -2.928 1.407 -12.850 71 3HD2 LEU 11 3HD2 LEU 11 -2.276 0.744 -11.354 72 H VAL 12 H VAL 12 -2.258 -1.978 -9.551 73 HA VAL 12 HA VAL 12 -1.852 0.773 -8.936 74 HB VAL 12 HB VAL 12 -3.134 -1.556 -7.508 75 1HG1 VAL 12 1HG1 VAL 12 -2.233 0.973 -6.184 76 2HG1 VAL 12 2HG1 VAL 12 -3.754 0.207 -5.682 77 3HG1 VAL 12 3HG1 VAL 12 -2.216 -0.669 -5.576 78 1HG2 VAL 12 1HG2 VAL 12 -4.119 1.189 -8.362 79 2HG2 VAL 12 2HG2 VAL 12 -4.459 -0.357 -9.166 80 3HG2 VAL 12 3HG2 VAL 12 -5.091 -0.037 -7.544 81 H PHE 13 H PHE 13 -0.477 -2.124 -7.200 82 HA PHE 13 HA PHE 13 0.927 -0.430 -5.375 83 1HB PHE 13 1HB PHE 13 1.735 -3.216 -6.229 84 2HB PHE 13 2HB PHE 13 2.198 -2.409 -4.740 85 HD1 PHE 13 HD1 PHE 13 0.447 -2.007 -2.942 86 HD2 PHE 13 HD2 PHE 13 -0.284 -4.411 -6.435 87 HE1 PHE 13 HE1 PHE 13 -1.440 -3.177 -1.761 88 HE2 PHE 13 HE2 PHE 13 -2.177 -5.521 -5.270 89 HZ PHE 13 HZ PHE 13 -2.757 -4.902 -2.998 90 H LYS 14 H LYS 14 1.684 -1.427 -8.631 91 HA LYS 14 HA LYS 14 4.488 -0.966 -8.575 92 1HB LYS 14 1HB LYS 14 3.004 -2.204 -10.148 93 2HB LYS 14 2HB LYS 14 2.589 -0.690 -10.902 94 1HG LYS 14 1HG LYS 14 4.789 -0.250 -11.707 95 2HG LYS 14 2HG LYS 14 5.541 -1.380 -10.603 96 1HD LYS 14 1HD LYS 14 4.608 -3.319 -11.682 97 2HD LYS 14 2HD LYS 14 3.344 -2.376 -12.462 98 1HE LYS 14 1HE LYS 14 5.216 -1.263 -13.808 99 2HE LYS 14 2HE LYS 14 6.212 -2.660 -13.308 100 1HZ LYS 14 1HZ LYS 14 4.421 -4.078 -14.215 101 2HZ LYS 14 2HZ LYS 14 3.576 -2.738 -14.638 102 3HZ LYS 14 3HZ LYS 14 4.987 -3.017 -15.403 103 H GLU 15 H GLU 15 1.712 1.081 -9.016 104 HA GLU 15 HA GLU 15 3.144 3.431 -9.995 105 1HB GLU 15 1HB GLU 15 0.575 3.344 -8.354 106 2HB GLU 15 2HB GLU 15 1.225 4.761 -9.167 107 1HG GLU 15 1HG GLU 15 0.386 2.179 -10.534 108 2HG GLU 15 2HG GLU 15 -0.576 3.616 -10.478 109 H ILE 16 H ILE 16 2.375 2.278 -6.703 110 HA ILE 16 HA ILE 16 3.528 4.436 -5.243 111 HB ILE 16 HB ILE 16 3.101 1.490 -4.558 112 1HG1 ILE 16 1HG1 ILE 16 1.216 3.841 -4.125 113 2HG1 ILE 16 2HG1 ILE 16 0.957 2.542 -5.271 114 1HG2 ILE 16 1HG2 ILE 16 4.670 2.734 -3.039 115 2HG2 ILE 16 2HG2 ILE 16 3.300 3.777 -2.603 116 3HG2 ILE 16 3HG2 ILE 16 3.268 2.014 -2.288 117 1HD1 ILE 16 1HD1 ILE 16 0.965 0.893 -3.364 118 2HD1 ILE 16 2HD1 ILE 16 0.953 2.281 -2.249 119 3HD1 ILE 16 3HD1 ILE 16 -0.387 2.043 -3.374 120 H GLU 17 H GLU 17 4.703 1.194 -6.286 121 HA GLU 17 HA GLU 17 7.434 1.423 -5.610 122 1HB GLU 17 1HB GLU 17 6.521 -0.669 -6.477 123 2HB GLU 17 2HB GLU 17 6.041 0.122 -7.931 124 1HG GLU 17 1HG GLU 17 8.348 0.476 -8.653 125 2HG GLU 17 2HG GLU 17 8.944 -0.264 -7.170 126 H LYS 18 H LYS 18 5.776 2.517 -8.604 127 HA LYS 18 HA LYS 18 8.062 3.064 -9.883 128 1HB LYS 18 1HB LYS 18 5.611 3.193 -10.804 129 2HB LYS 18 2HB LYS 18 5.621 4.866 -10.272 130 1HG LYS 18 2HG LYS 18 7.880 4.873 -11.755 131 2HG LYS 18 1HG LYS 18 6.284 5.205 -12.406 132 1HD LYS 18 1HD LYS 18 6.051 2.934 -13.236 133 2HD LYS 18 2HD LYS 18 7.513 3.706 -13.861 134 1HE LYS 18 1HE LYS 18 8.808 2.492 -12.027 135 2HE LYS 18 2HE LYS 18 7.330 1.576 -11.685 136 1HZ LYS 18 1HZ LYS 18 7.419 0.779 -14.010 137 2HZ LYS 18 2HZ LYS 18 8.779 1.649 -14.268 138 3HZ LYS 18 3HZ LYS 18 8.838 0.433 -13.195 139 H LYS 19 H LYS 19 6.246 5.184 -7.689 140 HA LYS 19 HA LYS 19 7.923 7.514 -7.833 141 1HB LYS 19 1HB LYS 19 5.591 7.536 -6.965 142 2HB LYS 19 2HB LYS 19 6.065 6.511 -5.618 143 1HG LYS 19 1HG LYS 19 5.851 8.808 -4.927 144 2HG LYS 19 2HG LYS 19 7.507 8.302 -4.707 145 1HD LYS 19 1HD LYS 19 7.108 9.473 -7.375 146 2HD LYS 19 2HD LYS 19 6.477 10.563 -6.167 147 1HE LYS 19 1HE LYS 19 9.257 9.373 -5.863 148 2HE LYS 19 2HE LYS 19 8.960 10.726 -6.956 149 1HZ LYS 19 1HZ LYS 19 7.961 11.906 -5.019 150 2HZ LYS 19 2HZ LYS 19 8.631 10.715 -4.041 151 3HZ LYS 19 3HZ LYS 19 9.561 11.675 -4.989 152 H LEU 20 H LEU 20 7.872 4.651 -5.604 153 HA LEU 20 HA LEU 20 9.979 5.507 -3.958 154 1HB LEU 20 1HB LEU 20 8.377 3.132 -4.357 155 2HB LEU 20 2HB LEU 20 10.041 2.657 -4.244 156 HG LEU 20 HG LEU 20 9.396 4.706 -2.203 157 1HD1 LEU 20 1HD1 LEU 20 7.145 3.771 -2.516 158 2HD1 LEU 20 2HD1 LEU 20 7.765 2.174 -2.076 159 3HD1 LEU 20 3HD1 LEU 20 7.815 3.503 -0.891 160 1HD2 LEU 20 1HD2 LEU 20 11.360 3.128 -2.199 161 2HD2 LEU 20 2HD2 LEU 20 10.452 3.210 -0.696 162 3HD2 LEU 20 3HD2 LEU 20 10.215 1.827 -1.769 163 H GLU 21 H GLU 21 10.044 3.806 -7.123 164 HA GLU 21 HA GLU 21 12.867 3.627 -7.209 165 1HB GLU 21 1HB GLU 21 10.961 3.850 -9.535 166 2HB GLU 21 2HB GLU 21 12.640 3.297 -9.588 167 1HG GLU 21 1HG GLU 21 10.513 1.885 -7.912 168 2HG GLU 21 2HG GLU 21 10.841 1.506 -9.587 169 H GLU 22 H GLU 22 10.736 6.383 -8.318 170 HA GLU 22 HA GLU 22 12.797 7.903 -9.482 171 1HB GLU 22 1HB GLU 22 10.430 9.052 -7.935 172 2HB GLU 22 2HB GLU 22 11.426 9.852 -9.140 173 1HG GLU 22 1HG GLU 22 10.520 8.138 -10.818 174 2HG GLU 22 2HG GLU 22 9.344 7.712 -9.577 175 H GLU 23 H GLU 23 11.611 7.889 -6.099 176 HA GLU 23 HA GLU 23 14.137 8.930 -5.104 177 1HB GLU 23 1HB GLU 23 12.689 10.879 -6.118 178 2HB GLU 23 2HB GLU 23 11.664 10.667 -4.684 179 1HG GLU 23 1HG GLU 23 13.760 10.804 -3.296 180 2HG GLU 23 2HG GLU 23 14.671 11.052 -4.780 181 H GLY 24 H GLY 24 13.100 6.499 -4.419 182 1HA GLY 24 1HA GLY 24 11.206 6.324 -2.415 183 2HA GLY 24 2HA GLY 24 12.546 5.195 -2.632 184 H GLU 25 H GLU 25 14.549 7.338 -2.060 185 HA GLU 25 HA GLU 25 14.917 6.852 0.688 186 1HB GLU 25 1HB GLU 25 16.682 8.551 0.531 187 2HB GLU 25 2HB GLU 25 16.755 7.259 -0.661 188 1HG GLU 25 1HG GLU 25 15.632 8.903 -2.319 189 2HG GLU 25 2HG GLU 25 15.992 10.159 -1.122 190 H GLN 26 H GLN 26 13.013 9.516 -0.813 191 HA GLN 26 HA GLN 26 12.849 11.017 1.664 192 1HB GLN 26 1HB GLN 26 12.737 11.829 -0.745 193 2HB GLN 26 2HB GLN 26 11.168 11.071 -0.877 194 1HG GLN 26 1HG GLN 26 11.841 13.111 1.255 195 2HG GLN 26 2HG GLN 26 11.368 13.576 -0.382 196 2HE2 GLN 26 1HE2 GLN 26 9.848 14.271 2.057 197 1HE2 GLN 26 2HE2 GLN 26 8.299 13.462 1.869 198 H PHE 27 H PHE 27 10.932 8.590 -0.117 199 HA PHE 27 HA PHE 27 8.562 8.651 1.505 200 1HB PHE 27 1HB PHE 27 9.812 7.074 -0.747 201 2HB PHE 27 2HB PHE 27 8.727 6.170 0.282 202 HD1 PHE 27 HD1 PHE 27 8.166 9.781 -0.338 203 HD2 PHE 27 HD2 PHE 27 7.208 5.790 -1.623 204 HE1 PHE 27 HE1 PHE 27 6.347 10.677 -1.683 205 HE2 PHE 27 HE2 PHE 27 5.398 6.695 -3.043 206 HZ PHE 27 HZ PHE 27 4.899 9.151 -2.991 207 H VAL 28 H VAL 28 11.549 6.793 1.516 208 HA VAL 28 HA VAL 28 11.233 4.996 3.605 209 HB VAL 28 HB VAL 28 13.499 6.610 2.464 210 1HG1 VAL 28 1HG1 VAL 28 13.750 4.685 4.762 211 2HG1 VAL 28 2HG1 VAL 28 15.098 5.120 3.693 212 3HG1 VAL 28 3HG1 VAL 28 14.308 6.374 4.659 213 1HG2 VAL 28 1HG2 VAL 28 12.426 4.505 1.297 214 2HG2 VAL 28 2HG2 VAL 28 14.170 4.743 1.343 215 3HG2 VAL 28 3HG2 VAL 28 13.436 3.607 2.453 216 H LYS 29 H LYS 29 11.935 8.559 3.825 217 HA LYS 29 HA LYS 29 12.347 8.344 6.705 218 1HB LYS 29 1HB LYS 29 11.804 10.760 4.934 219 2HB LYS 29 2HB LYS 29 12.280 10.836 6.621 220 1HG LYS 29 1HG LYS 29 14.157 9.137 5.085 221 2HG LYS 29 2HG LYS 29 13.971 10.710 4.336 222 1HD LYS 29 2HD LYS 29 14.574 11.808 6.476 223 2HD LYS 29 1HD LYS 29 15.838 10.746 5.861 224 1HE LYS 29 1HE LYS 29 13.811 9.931 8.004 225 2HE LYS 29 2HE LYS 29 15.182 8.970 7.413 226 1HZ LYS 29 1HZ LYS 29 16.644 10.683 8.258 227 2HZ LYS 29 2HZ LYS 29 15.420 11.567 8.844 228 3HZ LYS 29 3HZ LYS 29 15.750 10.054 9.470 229 H LYS 30 H LYS 30 9.517 8.657 4.645 230 HA LYS 30 HA LYS 30 7.832 9.722 6.749 231 1HB LYS 30 1HB LYS 30 7.436 8.892 3.851 232 2HB LYS 30 2HB LYS 30 6.119 9.480 4.845 233 1HG LYS 30 1HG LYS 30 8.576 11.198 4.914 234 2HG LYS 30 2HG LYS 30 7.812 11.051 3.345 235 1HD LYS 30 1HD LYS 30 5.643 11.759 4.299 236 2HD LYS 30 2HD LYS 30 6.329 11.788 5.928 237 1HE LYS 30 1HE LYS 30 7.130 13.599 3.610 238 2HE LYS 30 2HE LYS 30 6.059 14.035 4.936 239 1HZ LYS 30 1HZ LYS 30 8.010 13.582 6.442 240 2HZ LYS 30 2HZ LYS 30 8.964 13.516 5.096 241 3HZ LYS 30 3HZ LYS 30 8.171 14.872 5.405 242 H ILE 31 H ILE 31 8.624 6.455 5.769 243 HA ILE 31 HA ILE 31 6.426 5.417 7.534 244 HB ILE 31 HB ILE 31 7.756 4.285 5.076 245 1HG1 ILE 31 1HG1 ILE 31 5.030 3.742 5.000 246 2HG1 ILE 31 2HG1 ILE 31 5.022 5.277 5.845 247 1HG2 ILE 31 1HG2 ILE 31 6.255 2.858 7.286 248 2HG2 ILE 31 2HG2 ILE 31 6.539 2.201 5.666 249 3HG2 ILE 31 3HG2 ILE 31 7.916 2.551 6.695 250 1HD1 ILE 31 1HD1 ILE 31 6.335 4.699 3.160 251 2HD1 ILE 31 2HD1 ILE 31 4.805 5.563 3.423 252 3HD1 ILE 31 3HD1 ILE 31 6.333 6.282 3.972 253 H GLY 32 H GLY 32 9.898 4.873 6.422 254 1HA GLY 32 1HA GLY 32 11.724 4.262 7.525 255 2HA GLY 32 2HA GLY 32 10.961 4.814 9.018 256 H GLY 33 H GLY 33 10.488 1.986 6.623 257 1HA GLY 33 1HA GLY 33 11.222 0.090 8.585 258 2HA GLY 33 2HA GLY 33 9.453 0.232 8.553 259 H ILE 34 H ILE 34 10.018 -2.141 7.764 260 HA ILE 34 HA ILE 34 9.704 -2.014 4.819 261 HB ILE 34 HB ILE 34 10.548 -4.458 6.452 262 1HG1 ILE 34 2HG1 ILE 34 12.055 -3.011 4.242 263 2HG1 ILE 34 1HG1 ILE 34 12.477 -4.585 4.893 264 1HG2 ILE 34 1HG2 ILE 34 9.926 -4.116 3.472 265 2HG2 ILE 34 2HG2 ILE 34 10.538 -5.603 4.221 266 3HG2 ILE 34 3HG2 ILE 34 8.936 -5.011 4.630 267 1HD1 ILE 34 1HD1 ILE 34 12.770 -3.477 7.173 268 2HD1 ILE 34 2HD1 ILE 34 13.948 -3.050 5.918 269 3HD1 ILE 34 3HD1 ILE 34 12.679 -1.917 6.311 270 H PHE 35 H PHE 35 7.599 -2.634 4.265 271 HA PHE 35 HA PHE 35 6.137 -4.095 6.359 272 1HB PHE 35 2HB PHE 35 5.328 -1.854 6.592 273 2HB PHE 35 1HB PHE 35 4.082 -2.916 5.986 274 HD1 PHE 35 HD1 PHE 35 3.817 -2.918 3.274 275 HD2 PHE 35 HD2 PHE 35 5.683 0.198 5.581 276 HE1 PHE 35 HE1 PHE 35 3.339 -1.324 1.493 277 HE2 PHE 35 HE2 PHE 35 5.144 1.839 3.752 278 HZ PHE 35 HZ PHE 35 3.949 1.072 1.722 279 H ALA 36 H ALA 36 4.366 -5.282 5.541 280 HA ALA 36 HA ALA 36 4.430 -5.810 2.609 281 1HB ALA 36 2HB ALA 36 3.509 -8.056 3.200 282 2HB ALA 36 1HB ALA 36 3.756 -7.683 4.914 283 3HB ALA 36 3HB ALA 36 5.144 -7.789 3.820 284 H PHE 37 H PHE 37 2.285 -6.315 1.744 285 HA PHE 37 HA PHE 37 0.019 -4.896 3.106 286 1HB PHE 37 1HB PHE 37 0.896 -5.098 0.196 287 2HB PHE 37 2HB PHE 37 -0.718 -4.602 0.661 288 HD1 PHE 37 HD1 PHE 37 0.324 -2.806 3.130 289 HD2 PHE 37 HD2 PHE 37 1.251 -3.108 -1.067 290 HE1 PHE 37 HE1 PHE 37 0.585 -0.387 3.028 291 HE2 PHE 37 HE2 PHE 37 1.541 -0.656 -1.162 292 HZ PHE 37 HZ PHE 37 1.119 0.729 0.875 293 H LYS 38 H LYS 38 -1.203 -6.663 3.993 294 HA LYS 38 HA LYS 38 -1.603 -9.039 2.305 295 1HB LYS 38 1HB LYS 38 -2.005 -8.321 5.125 296 2HB LYS 38 2HB LYS 38 -3.544 -8.784 4.493 297 1HG LYS 38 2HG LYS 38 -2.510 -10.968 3.775 298 2HG LYS 38 1HG LYS 38 -2.693 -10.658 5.493 299 1HD LYS 38 1HD LYS 38 -0.300 -10.267 5.744 300 2HD LYS 38 2HD LYS 38 -0.697 -11.867 5.130 301 1HE LYS 38 1HE LYS 38 -0.349 -11.035 2.799 302 2HE LYS 38 2HE LYS 38 0.336 -9.543 3.452 303 1HZ LYS 38 1HZ LYS 38 1.368 -12.280 3.895 304 2HZ LYS 38 2HZ LYS 38 1.970 -11.263 2.824 305 3HZ LYS 38 3HZ LYS 38 2.117 -10.890 4.433 306 H VAL 39 H VAL 39 -2.816 -8.788 0.527 307 HA VAL 39 HA VAL 39 -5.234 -7.042 0.748 308 HB VAL 39 HB VAL 39 -3.513 -7.562 -1.712 309 1HG1 VAL 39 1HG1 VAL 39 -5.892 -6.955 -2.103 310 2HG1 VAL 39 2HG1 VAL 39 -5.659 -5.486 -1.131 311 3HG1 VAL 39 3HG1 VAL 39 -4.794 -5.696 -2.660 312 1HG2 VAL 39 1HG2 VAL 39 -2.896 -5.781 0.505 313 2HG2 VAL 39 2HG2 VAL 39 -2.003 -6.107 -0.973 314 3HG2 VAL 39 3HG2 VAL 39 -3.247 -4.842 -0.924 315 H LYS 40 H LYS 40 -6.634 -8.623 1.263 316 HA LYS 40 HA LYS 40 -6.959 -11.027 -0.445 317 1HB LYS 40 1HB LYS 40 -8.722 -11.582 1.437 318 2HB LYS 40 2HB LYS 40 -7.028 -11.803 1.730 319 1HG LYS 40 1HG LYS 40 -6.905 -9.691 2.989 320 2HG LYS 40 2HG LYS 40 -8.608 -9.361 2.644 321 1HD LYS 40 1HD LYS 40 -7.612 -11.802 4.193 322 2HD LYS 40 2HD LYS 40 -8.027 -10.260 4.934 323 1HE LYS 40 1HE LYS 40 -10.333 -10.555 3.687 324 2HE LYS 40 2HE LYS 40 -9.869 -12.262 3.600 325 1HZ LYS 40 1HZ LYS 40 -9.595 -12.167 6.052 326 2HZ LYS 40 2HZ LYS 40 -10.151 -10.610 6.043 327 3HZ LYS 40 3HZ LYS 40 -11.142 -11.832 5.602 328 H ASP 41 H ASP 41 -9.317 -11.642 -0.667 329 HA ASP 41 HA ASP 41 -11.473 -11.299 -1.285 330 1HB ASP 41 1HB ASP 41 -11.229 -10.139 1.019 331 2HB ASP 41 2HB ASP 41 -11.326 -8.623 0.125 332 H GLY 42 H GLY 42 -9.309 -10.246 -3.027 333 1HA GLY 42 1HA GLY 42 -10.409 -8.019 -4.570 334 2HA GLY 42 2HA GLY 42 -8.988 -9.008 -4.943 335 HA PRO 43 HA PRO 43 -12.474 -10.214 -7.835 336 1HB PRO 43 1HB PRO 43 -11.020 -10.029 -10.175 337 2HB PRO 43 2HB PRO 43 -11.971 -8.709 -9.452 338 1HG PRO 43 1HG PRO 43 -8.982 -9.140 -9.275 339 2HG PRO 43 2HG PRO 43 -9.866 -7.614 -9.517 340 1HD PRO 43 1HD PRO 43 -8.904 -8.401 -7.093 341 2HD PRO 43 2HD PRO 43 -10.393 -7.435 -7.253 342 H GLY 44 H GLY 44 -12.529 -12.264 -7.019 343 1HA GLY 44 1HA GLY 44 -12.169 -14.570 -7.667 344 2HA GLY 44 2HA GLY 44 -10.433 -14.267 -7.714 345 H GLY 45 H GLY 45 -10.973 -12.474 -5.156 346 1HA GLY 45 1HA GLY 45 -11.816 -12.589 -3.017 347 2HA GLY 45 2HA GLY 45 -12.229 -14.288 -3.246 348 H LYS 46 H LYS 46 -9.544 -14.774 -4.284 349 HA LYS 46 HA LYS 46 -7.859 -15.614 -2.202 350 1HB LYS 46 1HB LYS 46 -7.449 -14.627 -5.043 351 2HB LYS 46 2HB LYS 46 -6.137 -15.424 -4.133 352 1HG LYS 46 1HG LYS 46 -7.633 -17.422 -3.798 353 2HG LYS 46 2HG LYS 46 -8.805 -16.666 -4.894 354 1HD LYS 46 1HD LYS 46 -7.153 -16.684 -6.716 355 2HD LYS 46 2HD LYS 46 -5.929 -17.356 -5.618 356 1HE LYS 46 2HE LYS 46 -7.263 -19.392 -5.308 357 2HE LYS 46 1HE LYS 46 -6.861 -19.134 -7.009 358 1HZ LYS 46 1HZ LYS 46 -9.458 -18.413 -5.783 359 2HZ LYS 46 2HZ LYS 46 -9.076 -18.339 -7.396 360 3HZ LYS 46 3HZ LYS 46 -9.208 -19.775 -6.625 361 H GLU 47 H GLU 47 -5.397 -14.567 -2.525 362 HA GLU 47 HA GLU 47 -5.571 -11.713 -2.106 363 1HB GLU 47 1HB GLU 47 -4.586 -11.549 -0.014 364 2HB GLU 47 2HB GLU 47 -5.766 -12.840 0.188 365 1HG GLU 47 1HG GLU 47 -3.985 -14.492 0.160 366 2HG GLU 47 2HG GLU 47 -2.801 -13.243 -0.266 367 H ALA 48 H ALA 48 -3.601 -10.687 -2.180 368 HA ALA 48 HA ALA 48 -1.174 -12.121 -3.108 369 1HB ALA 48 1HB ALA 48 -2.381 -9.598 -4.302 370 2HB ALA 48 2HB ALA 48 -0.648 -9.949 -4.394 371 3HB ALA 48 3HB ALA 48 -1.781 -11.051 -5.134 372 H THR 49 H THR 49 0.713 -10.516 -2.742 373 HA THR 49 HA THR 49 0.199 -8.484 -0.725 374 HB THR 49 HB THR 49 2.276 -10.707 -0.368 375 HG1 THR 49 HG1 THR 49 0.392 -11.495 0.337 376 1HG2 THR 49 1HG2 THR 49 1.752 -8.235 1.329 377 2HG2 THR 49 2HG2 THR 49 2.672 -9.639 1.886 378 3HG2 THR 49 3HG2 THR 49 3.260 -8.699 0.533 379 H TRP 50 H TRP 50 1.999 -6.899 -0.722 380 HA TRP 50 HA TRP 50 4.159 -7.300 -2.732 381 1HB TRP 50 1HB TRP 50 2.216 -4.997 -2.364 382 2HB TRP 50 2HB TRP 50 3.914 -4.575 -2.491 383 HD1 TRP 50 HD1 TRP 50 4.849 -4.321 -4.930 384 HE1 TRP 50 HE1 TRP 50 3.929 -4.865 -7.274 385 HE3 TRP 50 HE3 TRP 50 0.659 -6.874 -3.570 386 HZ2 TRP 50 HZ2 TRP 50 1.764 -6.403 -8.383 387 HZ3 TRP 50 HZ3 TRP 50 -0.815 -7.905 -5.258 388 HH2 TRP 50 HH2 TRP 50 -0.316 -7.705 -7.654 389 H VAL 51 H VAL 51 6.220 -6.516 -1.754 390 HA VAL 51 HA VAL 51 6.033 -5.750 1.110 391 HB VAL 51 HB VAL 51 8.357 -7.034 -0.372 392 1HG1 VAL 51 1HG1 VAL 51 8.009 -6.350 2.580 393 2HG1 VAL 51 2HG1 VAL 51 9.366 -7.255 1.890 394 3HG1 VAL 51 3HG1 VAL 51 9.132 -5.564 1.448 395 1HG2 VAL 51 1HG2 VAL 51 6.410 -8.256 1.617 396 2HG2 VAL 51 2HG2 VAL 51 6.690 -8.735 -0.073 397 3HG2 VAL 51 3HG2 VAL 51 7.948 -8.994 1.130 398 H VAL 52 H VAL 52 7.056 -3.786 1.662 399 HA VAL 52 HA VAL 52 8.171 -2.182 -0.580 400 HB VAL 52 HB VAL 52 6.263 -1.236 1.575 401 1HG1 VAL 52 1HG1 VAL 52 7.593 0.248 -0.723 402 2HG1 VAL 52 2HG1 VAL 52 6.235 0.894 0.226 403 3HG1 VAL 52 3HG1 VAL 52 7.778 0.532 1.004 404 1HG2 VAL 52 1HG2 VAL 52 5.785 -1.762 -1.386 405 2HG2 VAL 52 2HG2 VAL 52 4.941 -2.474 -0.002 406 3HG2 VAL 52 3HG2 VAL 52 4.711 -0.764 -0.382 407 H ASP 53 H ASP 53 10.309 -1.935 -0.066 408 HA ASP 53 HA ASP 53 11.101 -1.748 2.754 409 1HB ASP 53 1HB ASP 53 12.572 -2.635 0.627 410 2HB ASP 53 2HB ASP 53 12.906 -0.985 0.503 411 H VAL 54 H VAL 54 10.854 0.159 3.734 412 HA VAL 54 HA VAL 54 11.493 2.591 2.264 413 HB VAL 54 HB VAL 54 9.531 3.639 3.778 414 1HG1 VAL 54 1HG1 VAL 54 9.798 3.984 1.400 415 2HG1 VAL 54 2HG1 VAL 54 9.080 2.398 1.061 416 3HG1 VAL 54 3HG1 VAL 54 8.104 3.679 1.809 417 1HG2 VAL 54 1HG2 VAL 54 8.407 0.870 3.141 418 2HG2 VAL 54 2HG2 VAL 54 8.699 1.570 4.742 419 3HG2 VAL 54 3HG2 VAL 54 7.485 2.273 3.647 420 H LYS 55 H LYS 55 13.173 1.019 3.683 421 HA LYS 55 HA LYS 55 13.818 2.875 5.927 422 1HB LYS 55 1HB LYS 55 12.828 0.421 6.419 423 2HB LYS 55 2HB LYS 55 14.503 -0.041 6.222 424 1HG LYS 55 1HG LYS 55 13.470 2.133 8.115 425 2HG LYS 55 2HG LYS 55 13.733 0.443 8.553 426 1HD LYS 55 1HD LYS 55 16.148 0.701 7.881 427 2HD LYS 55 2HD LYS 55 15.871 2.455 7.725 428 1HE LYS 55 1HE LYS 55 15.215 2.660 10.037 429 2HE LYS 55 2HE LYS 55 15.082 0.909 10.199 430 1HZ LYS 55 1HZ LYS 55 17.460 0.748 9.873 431 2HZ LYS 55 2HZ LYS 55 17.579 2.423 9.944 432 3HZ LYS 55 3HZ LYS 55 17.002 1.541 11.228 433 H ASN 56 H ASN 56 14.957 0.354 3.681 434 HA ASN 56 HA ASN 56 17.705 0.700 4.581 435 1HB ASN 56 1HB ASN 56 16.229 -1.083 2.578 436 2HB ASN 56 2HB ASN 56 17.954 -0.949 2.570 437 2HD2 ASN 56 1HD2 ASN 56 15.349 -2.455 4.055 438 1HD2 ASN 56 2HD2 ASN 56 16.222 -3.293 5.344 439 H GLY 57 H GLY 57 18.647 2.615 3.806 440 1HA GLY 57 1HA GLY 57 19.317 4.283 2.347 441 2HA GLY 57 2HA GLY 57 19.438 3.033 1.103 442 H LYS 58 H LYS 58 18.110 3.393 -0.628 443 HA LYS 58 HA LYS 58 15.854 5.230 -0.494 444 1HB LYS 58 2HB LYS 58 15.721 5.211 -2.795 445 2HB LYS 58 1HB LYS 58 16.336 3.568 -2.897 446 1HG LYS 58 1HG LYS 58 17.935 6.087 -2.548 447 2HG LYS 58 2HG LYS 58 18.660 4.494 -2.286 448 1HD LYS 58 1HD LYS 58 18.612 3.898 -4.468 449 2HD LYS 58 2HD LYS 58 17.136 4.739 -4.843 450 1HE LYS 58 1HE LYS 58 19.807 6.161 -4.471 451 2HE LYS 58 2HE LYS 58 19.210 5.549 -6.012 452 1HZ LYS 58 1HZ LYS 58 17.214 6.994 -5.648 453 2HZ LYS 58 2HZ LYS 58 18.012 7.700 -4.389 454 3HZ LYS 58 3HZ LYS 58 18.659 7.807 -5.868 455 H GLY 59 H GLY 59 16.106 2.037 0.360 456 1HA GLY 59 1HA GLY 59 14.739 0.413 0.851 457 2HA GLY 59 2HA GLY 59 13.363 1.489 0.523 458 H SER 60 H SER 60 12.365 0.819 -1.010 459 HA SER 60 HA SER 60 11.760 1.169 -3.438 460 1HB SER 60 1HB SER 60 14.028 -0.828 -3.670 461 2HB SER 60 2HB SER 60 12.705 -0.754 -4.782 462 HG SER 60 HG SER 60 13.503 1.011 -5.635 463 H VAL 61 H VAL 61 10.422 -0.501 -4.475 464 HA VAL 61 HA VAL 61 8.997 -2.108 -2.477 465 HB VAL 61 HB VAL 61 8.378 -1.309 -5.329 466 1HG1 VAL 61 1HG1 VAL 61 6.656 -2.992 -3.462 467 2HG1 VAL 61 2HG1 VAL 61 6.063 -2.223 -4.940 468 3HG1 VAL 61 3HG1 VAL 61 7.300 -3.459 -5.062 469 1HG2 VAL 61 1HG2 VAL 61 7.112 -0.536 -2.677 470 2HG2 VAL 61 2HG2 VAL 61 8.073 0.522 -3.726 471 3HG2 VAL 61 3HG2 VAL 61 6.477 -0.060 -4.241 472 H LEU 62 H LEU 62 8.483 -4.237 -3.027 473 HA LEU 62 HA LEU 62 10.505 -5.796 -4.514 474 1HB LEU 62 1HB LEU 62 9.759 -5.914 -1.563 475 2HB LEU 62 2HB LEU 62 10.790 -7.089 -2.382 476 HG LEU 62 HG LEU 62 11.507 -4.119 -2.218 477 1HD1 LEU 62 1HD1 LEU 62 12.031 -6.260 -0.206 478 2HD1 LEU 62 2HD1 LEU 62 12.929 -4.711 -0.317 479 3HD1 LEU 62 3HD1 LEU 62 11.193 -4.698 -0.003 480 1HD2 LEU 62 1HD2 LEU 62 13.199 -6.599 -2.675 481 2HD2 LEU 62 2HD2 LEU 62 12.711 -5.409 -3.911 482 3HD2 LEU 62 3HD2 LEU 62 13.764 -4.910 -2.598 483 HA PRO 63 HA PRO 63 6.013 -6.867 -4.903 484 1HB PRO 63 1HB PRO 63 5.970 -7.775 -7.460 485 2HB PRO 63 2HB PRO 63 6.046 -6.023 -7.102 486 1HG PRO 63 2HG PRO 63 7.946 -6.336 -8.510 487 2HG PRO 63 1HG PRO 63 8.381 -7.868 -7.710 488 1HD PRO 63 1HD PRO 63 9.762 -6.413 -6.471 489 2HD PRO 63 2HD PRO 63 8.597 -5.058 -6.572 490 H ASN 64 H ASN 64 5.054 -8.945 -4.872 491 HA ASN 64 HA ASN 64 4.874 -11.120 -4.411 492 1HB ASN 64 2HB ASN 64 5.461 -12.445 -6.205 493 2HB ASN 64 1HB ASN 64 7.031 -11.682 -6.408 494 2HD2 ASN 64 1HD2 ASN 64 7.139 -10.879 -8.461 495 1HD2 ASN 64 2HD2 ASN 64 5.896 -9.792 -9.063 496 H SER 65 H SER 65 7.043 -9.737 -2.783 497 HA SER 65 HA SER 65 9.399 -11.261 -3.196 498 1HB SER 65 1HB SER 65 9.128 -8.781 -2.456 499 2HB SER 65 2HB SER 65 9.057 -9.433 -0.805 500 HG SER 65 HG SER 65 11.053 -9.598 -2.784 501 H ASP 66 H ASP 66 10.558 -12.535 -1.809 502 HA ASP 66 HA ASP 66 9.115 -13.785 0.456 503 1HB ASP 66 1HB ASP 66 10.318 -15.235 -1.318 504 2HB ASP 66 2HB ASP 66 11.811 -14.745 -0.497 505 H LYS 67 H LYS 67 10.951 -11.026 -0.025 506 HA LYS 67 HA LYS 67 12.760 -11.216 2.184 507 1HB LYS 67 1HB LYS 67 12.686 -9.362 0.390 508 2HB LYS 67 2HB LYS 67 11.352 -8.658 1.317 509 1HG LYS 67 1HG LYS 67 12.910 -8.623 3.347 510 2HG LYS 67 2HG LYS 67 14.193 -9.219 2.291 511 1HD LYS 67 1HD LYS 67 13.822 -7.128 0.868 512 2HD LYS 67 2HD LYS 67 12.766 -6.529 2.166 513 1HE LYS 67 1HE LYS 67 15.195 -7.449 3.381 514 2HE LYS 67 2HE LYS 67 15.684 -6.591 1.924 515 1HZ LYS 67 1HZ LYS 67 14.021 -5.443 4.082 516 2HZ LYS 67 2HZ LYS 67 15.607 -5.136 3.814 517 3HZ LYS 67 3HZ LYS 67 14.494 -4.618 2.744 518 H LYS 68 H LYS 68 12.401 -10.792 4.437 519 HA LYS 68 HA LYS 68 9.668 -11.087 5.354 520 1HB LYS 68 1HB LYS 68 10.627 -11.205 7.523 521 2HB LYS 68 2HB LYS 68 11.779 -12.007 6.468 522 1HG LYS 68 1HG LYS 68 12.879 -9.531 6.412 523 2HG LYS 68 2HG LYS 68 11.973 -9.362 7.912 524 1HD LYS 68 1HD LYS 68 14.073 -10.060 8.619 525 2HD LYS 68 2HD LYS 68 13.151 -11.567 8.665 526 1HE LYS 68 1HE LYS 68 14.175 -12.389 6.680 527 2HE LYS 68 2HE LYS 68 14.627 -10.771 6.139 528 1HZ LYS 68 1HZ LYS 68 15.898 -12.144 8.419 529 2HZ LYS 68 2HZ LYS 68 16.513 -12.009 6.874 530 3HZ LYS 68 3HZ LYS 68 16.319 -10.679 7.787 531 H ALA 69 H ALA 69 9.355 -9.360 7.327 532 HA ALA 69 HA ALA 69 9.745 -6.607 6.354 533 1HB ALA 69 1HB ALA 69 7.689 -7.343 5.169 534 2HB ALA 69 3HB ALA 69 7.335 -6.080 6.356 535 3HB ALA 69 2HB ALA 69 6.946 -7.771 6.730 536 H ASP 70 H ASP 70 9.017 -4.961 7.915 537 HA ASP 70 HA ASP 70 9.596 -5.735 10.650 538 1HB ASP 70 1HB ASP 70 9.868 -3.385 9.139 539 2HB ASP 70 2HB ASP 70 8.567 -3.004 10.256 540 H CYS 71 H CYS 71 6.730 -4.873 8.734 541 HA CYS 71 HA CYS 71 5.006 -6.201 10.622 542 1HB CYS 71 1HB CYS 71 4.919 -3.182 10.304 543 2HB CYS 71 2HB CYS 71 3.408 -4.071 10.478 544 H THR 72 H THR 72 2.579 -5.577 9.577 545 HA THR 72 HA THR 72 2.701 -5.659 6.679 546 HB THR 72 HB THR 72 1.234 -7.829 8.253 547 HG1 THR 72 HG1 THR 72 2.915 -9.049 6.844 548 1HG2 THR 72 1HG2 THR 72 1.457 -7.215 5.295 549 2HG2 THR 72 2HG2 THR 72 1.288 -8.874 5.847 550 3HG2 THR 72 3HG2 THR 72 0.036 -7.696 6.248 551 H ILE 73 H ILE 73 -0.049 -5.695 6.151 552 HA ILE 73 HA ILE 73 -1.504 -4.546 8.356 553 HB ILE 73 HB ILE 73 -0.300 -2.688 7.037 554 1HG1 ILE 73 1HG1 ILE 73 -2.547 -2.707 8.499 555 2HG1 ILE 73 2HG1 ILE 73 -1.711 -1.293 7.907 556 1HG2 ILE 73 1HG2 ILE 73 -0.710 -3.687 4.825 557 2HG2 ILE 73 2HG2 ILE 73 -2.427 -3.333 4.950 558 3HG2 ILE 73 3HG2 ILE 73 -1.247 -1.996 4.921 559 1HD1 ILE 73 1HD1 ILE 73 -4.037 -2.598 6.429 560 2HD1 ILE 73 2HD1 ILE 73 -4.214 -1.249 7.568 561 3HD1 ILE 73 3HD1 ILE 73 -3.277 -1.033 6.082 562 H THR 74 H THR 74 -3.841 -5.023 8.029 563 HA THR 74 HA THR 74 -4.393 -6.669 5.610 564 HB THR 74 HB THR 74 -5.999 -6.486 8.189 565 HG1 THR 74 HG1 THR 74 -4.789 -7.946 8.978 566 1HG2 THR 74 1HG2 THR 74 -6.123 -8.311 5.730 567 2HG2 THR 74 2HG2 THR 74 -7.031 -8.603 7.215 568 3HG2 THR 74 3HG2 THR 74 -7.360 -7.153 6.273 569 H MET 75 H MET 75 -5.718 -5.602 4.169 570 HA MET 75 HA MET 75 -7.572 -3.545 5.264 571 1HB MET 75 1HB MET 75 -5.198 -2.924 3.744 572 2HB MET 75 2HB MET 75 -6.618 -2.540 2.762 573 1HG MET 75 1HG MET 75 -7.464 -1.078 4.524 574 2HG MET 75 2HG MET 75 -6.264 -1.717 5.655 575 1HE MET 75 1HE MET 75 -5.858 -0.572 1.992 576 2HE MET 75 2HE MET 75 -6.772 0.824 2.615 577 3HE MET 75 3HE MET 75 -5.056 0.996 2.154 578 H ALA 76 H ALA 76 -6.540 -5.286 2.376 579 HA ALA 76 HA ALA 76 -7.708 -6.977 1.209 580 1HB ALA 76 1HB ALA 76 -9.784 -6.921 2.644 581 2HB ALA 76 2HB ALA 76 -10.294 -5.463 1.740 582 3HB ALA 76 3HB ALA 76 -10.105 -6.990 0.904 583 H ASP 77 H ASP 77 -8.561 -6.796 -0.977 584 HA ASP 77 HA ASP 77 -7.446 -4.794 -2.597 585 1HB ASP 77 1HB ASP 77 -8.373 -7.159 -3.065 586 2HB ASP 77 2HB ASP 77 -9.939 -6.429 -3.179 587 H SER 78 H SER 78 -10.715 -5.264 -1.457 588 HA SER 78 HA SER 78 -12.025 -3.051 -2.641 589 1HB SER 78 1HB SER 78 -12.761 -4.307 0.018 590 2HB SER 78 2HB SER 78 -13.846 -3.598 -1.192 591 HG SER 78 HG SER 78 -13.803 -5.899 -1.203 592 H ASP 79 H ASP 79 -9.844 -3.132 0.010 593 HA ASP 79 HA ASP 79 -10.795 -0.469 0.981 594 1HB ASP 79 1HB ASP 79 -10.426 -2.729 2.424 595 2HB ASP 79 2HB ASP 79 -8.810 -2.037 2.560 596 H PHE 80 H PHE 80 -7.924 -2.192 -0.145 597 HA PHE 80 HA PHE 80 -6.114 0.048 -0.037 598 1HB PHE 80 1HB PHE 80 -6.196 -2.648 -1.406 599 2HB PHE 80 2HB PHE 80 -5.073 -1.439 -1.982 600 HD1 PHE 80 HD1 PHE 80 -3.529 -0.247 -0.287 601 HD2 PHE 80 HD2 PHE 80 -5.538 -3.975 0.512 602 HE1 PHE 80 HE1 PHE 80 -1.870 -0.772 1.459 603 HE2 PHE 80 HE2 PHE 80 -3.850 -4.506 2.256 604 HZ PHE 80 HZ PHE 80 -2.012 -2.920 2.705 605 H LEU 81 H LEU 81 -8.046 -1.362 -2.733 606 HA LEU 81 HA LEU 81 -7.193 0.560 -4.647 607 1HB LEU 81 1HB LEU 81 -8.605 -1.698 -4.817 608 2HB LEU 81 2HB LEU 81 -9.975 -0.607 -4.702 609 HG LEU 81 HG LEU 81 -8.415 0.715 -6.568 610 1HD1 LEU 81 1HD1 LEU 81 -6.810 -1.269 -6.504 611 2HD1 LEU 81 2HD1 LEU 81 -8.106 -2.245 -7.229 612 3HD1 LEU 81 3HD1 LEU 81 -7.453 -0.814 -8.090 613 1HD2 LEU 81 1HD2 LEU 81 -10.825 0.176 -6.735 614 2HD2 LEU 81 2HD2 LEU 81 -9.940 -0.093 -8.238 615 3HD2 LEU 81 3HD2 LEU 81 -10.406 -1.481 -7.220 616 H ALA 82 H ALA 82 -9.840 0.510 -2.353 617 HA ALA 82 HA ALA 82 -11.515 2.556 -3.145 618 1HB ALA 82 2HB ALA 82 -12.010 3.019 -0.752 619 2HB ALA 82 1HB ALA 82 -10.618 2.062 -0.277 620 3HB ALA 82 3HB ALA 82 -11.997 1.281 -1.109 621 H LEU 83 H LEU 83 -8.390 2.937 -1.563 622 HA LEU 83 HA LEU 83 -8.495 5.726 -0.985 623 1HB LEU 83 1HB LEU 83 -6.250 3.782 -1.487 624 2HB LEU 83 2HB LEU 83 -5.940 5.472 -1.230 625 HG LEU 83 HG LEU 83 -6.207 5.391 0.990 626 1HD1 LEU 83 1HD1 LEU 83 -8.426 3.330 0.806 627 2HD1 LEU 83 2HD1 LEU 83 -7.720 3.917 2.312 628 3HD1 LEU 83 3HD1 LEU 83 -8.533 5.054 1.269 629 1HD2 LEU 83 1HD2 LEU 83 -4.655 3.502 0.422 630 2HD2 LEU 83 2HD2 LEU 83 -5.466 3.299 1.977 631 3HD2 LEU 83 3HD2 LEU 83 -6.025 2.391 0.548 632 H MET 84 H MET 84 -6.626 4.175 -3.651 633 HA MET 84 HA MET 84 -6.913 6.575 -5.294 634 1HB MET 84 1HB MET 84 -5.475 5.341 -6.835 635 2HB MET 84 2HB MET 84 -4.819 5.543 -5.215 636 1HG MET 84 1HG MET 84 -5.413 3.167 -4.682 637 2HG MET 84 2HG MET 84 -5.973 2.993 -6.355 638 1HE MET 84 1HE MET 84 -2.929 4.299 -4.206 639 2HE MET 84 2HE MET 84 -2.713 2.545 -4.070 640 3HE MET 84 3HE MET 84 -1.547 3.495 -4.991 641 H THR 85 H THR 85 -9.427 5.616 -4.768 642 HA THR 85 HA THR 85 -10.201 5.848 -7.585 643 HB THR 85 HB THR 85 -12.250 4.452 -7.229 644 HG1 THR 85 HG1 THR 85 -11.557 2.727 -5.566 645 1HG2 THR 85 1HG2 THR 85 -10.265 3.584 -8.484 646 2HG2 THR 85 2HG2 THR 85 -9.735 2.768 -7.008 647 3HG2 THR 85 3HG2 THR 85 -11.290 2.340 -7.758 648 H GLY 86 H GLY 86 -10.087 7.136 -4.537 649 1HA GLY 86 1HA GLY 86 -10.876 9.204 -3.964 650 2HA GLY 86 2HA GLY 86 -12.073 9.143 -5.260 651 H LYS 87 H LYS 87 -12.494 6.258 -3.628 652 HA LYS 87 HA LYS 87 -14.724 7.225 -2.000 653 1HB LYS 87 1HB LYS 87 -14.622 4.885 -2.994 654 2HB LYS 87 2HB LYS 87 -13.377 4.503 -1.794 655 1HG LYS 87 1HG LYS 87 -15.070 5.385 -0.043 656 2HG LYS 87 2HG LYS 87 -16.278 5.349 -1.319 657 1HD LYS 87 1HD LYS 87 -14.658 2.924 -0.386 658 2HD LYS 87 2HD LYS 87 -16.214 3.413 0.279 659 1HE LYS 87 1HE LYS 87 -17.066 3.300 -2.198 660 2HE LYS 87 2HE LYS 87 -15.612 2.329 -2.485 661 1HZ LYS 87 1HZ LYS 87 -16.385 0.846 -0.703 662 2HZ LYS 87 2HZ LYS 87 -17.715 1.765 -0.482 663 3HZ LYS 87 3HZ LYS 87 -17.561 0.957 -1.884 664 H MET 88 H MET 88 -11.574 5.801 -1.347 665 HA MET 88 HA MET 88 -10.209 5.833 0.402 666 1HB MET 88 1HB MET 88 -8.938 7.760 0.267 667 2HB MET 88 2HB MET 88 -9.685 7.500 -1.297 668 1HG MET 88 1HG MET 88 -11.215 9.338 -1.001 669 2HG MET 88 2HG MET 88 -10.729 9.547 0.676 670 1HE MET 88 1HE MET 88 -9.814 11.738 1.060 671 2HE MET 88 2HE MET 88 -8.988 12.733 -0.158 672 3HE MET 88 3HE MET 88 -10.656 12.186 -0.435 673 H ASN 89 H ASN 89 -12.393 5.333 1.766 674 HA ASN 89 HA ASN 89 -13.098 7.205 3.747 675 1HB ASN 89 1HB ASN 89 -13.256 4.178 3.683 676 2HB ASN 89 2HB ASN 89 -13.836 5.135 5.047 677 2HD2 ASN 89 1HD2 ASN 89 -15.987 3.996 4.330 678 1HD2 ASN 89 2HD2 ASN 89 -16.890 4.846 3.090 679 HA PRO 90 HA PRO 90 -9.360 7.582 5.724 680 1HB PRO 90 1HB PRO 90 -9.972 8.788 8.115 681 2HB PRO 90 2HB PRO 90 -10.233 9.559 6.517 682 1HG PRO 90 1HG PRO 90 -12.256 8.011 8.155 683 2HG PRO 90 2HG PRO 90 -12.438 9.662 7.474 684 1HD PRO 90 1HD PRO 90 -13.398 7.503 6.153 685 2HD PRO 90 2HD PRO 90 -12.562 8.797 5.261 686 H GLN 91 H GLN 91 -8.005 6.138 6.527 687 HA GLN 91 HA GLN 91 -7.224 4.222 7.455 688 1HB GLN 91 1HB GLN 91 -8.019 5.929 9.812 689 2HB GLN 91 2HB GLN 91 -7.177 4.396 10.045 690 1HG GLN 91 1HG GLN 91 -5.986 6.303 8.041 691 2HG GLN 91 2HG GLN 91 -5.901 6.746 9.737 692 2HE2 GLN 91 1HE2 GLN 91 -4.263 5.913 10.928 693 1HE2 GLN 91 2HE2 GLN 91 -3.263 4.541 10.503 694 H SER 92 H SER 92 -9.241 3.314 6.282 695 HA SER 92 HA SER 92 -11.580 2.719 7.626 696 1HB SER 92 1HB SER 92 -11.566 0.902 5.655 697 2HB SER 92 2HB SER 92 -11.879 2.618 5.395 698 HG SER 92 HG SER 92 -10.257 1.336 4.097 699 H ALA 93 H ALA 93 -8.505 0.678 7.492 700 HA ALA 93 HA ALA 93 -9.948 -1.631 8.317 701 1HB ALA 93 1HB ALA 93 -7.862 -1.585 7.003 702 2HB ALA 93 3HB ALA 93 -7.788 -2.632 8.397 703 3HB ALA 93 2HB ALA 93 -6.960 -1.041 8.442 704 H PHE 94 H PHE 94 -8.660 1.113 10.059 705 HA PHE 94 HA PHE 94 -8.865 -0.134 12.703 706 1HB PHE 94 1HB PHE 94 -7.349 1.733 12.367 707 2HB PHE 94 2HB PHE 94 -8.643 2.755 11.768 708 HD1 PHE 94 HD1 PHE 94 -7.398 0.974 14.816 709 HD2 PHE 94 HD2 PHE 94 -10.004 4.046 13.267 710 HE1 PHE 94 HE1 PHE 94 -7.800 1.802 17.117 711 HE2 PHE 94 HE2 PHE 94 -10.398 4.866 15.570 712 HZ PHE 94 HZ PHE 94 -9.304 3.740 17.503 713 H PHE 95 H PHE 95 -10.898 1.908 10.552 714 HA PHE 95 HA PHE 95 -13.010 2.375 12.389 715 1HB PHE 95 1HB PHE 95 -12.540 3.599 10.241 716 2HB PHE 95 2HB PHE 95 -13.182 2.239 9.350 717 HD1 PHE 95 HD1 PHE 95 -15.692 1.490 9.991 718 HD2 PHE 95 HD2 PHE 95 -13.970 5.381 10.777 719 HE1 PHE 95 HE1 PHE 95 -17.942 2.462 10.125 720 HE2 PHE 95 HE2 PHE 95 -16.245 6.352 10.832 721 HZ PHE 95 HZ PHE 95 -18.232 4.901 10.508 722 H GLN 96 H GLN 96 -13.029 0.086 9.589 723 HA GLN 96 HA GLN 96 -15.306 -1.405 10.559 724 1HB GLN 96 1HB GLN 96 -13.218 -1.793 8.361 725 2HB GLN 96 2HB GLN 96 -14.304 -3.093 8.815 726 1HG GLN 96 1HG GLN 96 -16.175 -1.184 8.522 727 2HG GLN 96 2HG GLN 96 -14.959 -0.534 7.419 728 2HE2 GLN 96 1HE2 GLN 96 -14.095 -2.224 5.765 729 1HE2 GLN 96 2HE2 GLN 96 -15.305 -3.265 5.081 730 H GLY 97 H GLY 97 -11.873 -1.542 11.258 731 1HA GLY 97 1HA GLY 97 -10.738 -2.757 12.795 732 2HA GLY 97 2HA GLY 97 -12.321 -3.048 13.524 733 H LYS 98 H LYS 98 -11.129 -4.232 10.311 734 HA LYS 98 HA LYS 98 -12.177 -6.838 10.808 735 1HB LYS 98 1HB LYS 98 -10.079 -5.895 8.838 736 2HB LYS 98 2HB LYS 98 -10.839 -7.463 8.747 737 1HG LYS 98 1HG LYS 98 -12.311 -4.813 8.453 738 2HG LYS 98 2HG LYS 98 -11.631 -5.763 7.141 739 1HD LYS 98 1HD LYS 98 -13.101 -7.714 7.838 740 2HD LYS 98 2HD LYS 98 -13.815 -6.665 9.062 741 1HE LYS 98 2HE LYS 98 -14.514 -5.081 7.198 742 2HE LYS 98 1HE LYS 98 -15.336 -6.640 7.265 743 1HZ LYS 98 1HZ LYS 98 -13.867 -7.433 5.507 744 2HZ LYS 98 2HZ LYS 98 -14.772 -6.147 5.045 745 3HZ LYS 98 3HZ LYS 98 -13.174 -5.925 5.372 746 H LEU 99 H LEU 99 -8.701 -6.213 10.177 747 HA LEU 99 HA LEU 99 -7.758 -7.158 12.685 748 1HB LEU 99 2HB LEU 99 -8.378 -9.364 12.024 749 2HB LEU 99 1HB LEU 99 -6.646 -9.201 12.049 750 HG LEU 99 HG LEU 99 -6.552 -9.233 9.577 751 1HD1 LEU 99 1HD1 LEU 99 -6.484 -11.319 10.922 752 2HD1 LEU 99 2HD1 LEU 99 -8.245 -11.491 10.713 753 3HD1 LEU 99 3HD1 LEU 99 -7.164 -11.569 9.311 754 1HD2 LEU 99 1HD2 LEU 99 -9.584 -9.525 9.760 755 2HD2 LEU 99 2HD2 LEU 99 -8.661 -8.311 8.838 756 3HD2 LEU 99 3HD2 LEU 99 -8.641 -9.993 8.334 757 H LYS 100 H LYS 100 -7.192 -4.789 11.588 758 HA LYS 100 HA LYS 100 -5.141 -4.919 9.602 759 1HB LYS 100 2HB LYS 100 -6.702 -3.016 10.117 760 2HB LYS 100 1HB LYS 100 -5.136 -2.575 9.584 761 1HG LYS 100 1HG LYS 100 -4.592 -2.031 12.041 762 2HG LYS 100 2HG LYS 100 -5.759 -1.055 11.225 763 1HD LYS 100 2HD LYS 100 -7.586 -2.619 12.332 764 2HD LYS 100 1HD LYS 100 -6.836 -1.280 13.210 765 1HE LYS 100 1HE LYS 100 -6.004 -4.196 13.422 766 2HE LYS 100 2HE LYS 100 -5.193 -2.833 14.209 767 1HZ LYS 100 1HZ LYS 100 -7.301 -2.402 15.390 768 2HZ LYS 100 2HZ LYS 100 -7.967 -3.730 14.731 769 3HZ LYS 100 3HZ LYS 100 -6.651 -3.875 15.712 770 H ILE 101 H ILE 101 -2.884 -3.882 10.004 771 HA ILE 101 HA ILE 101 -1.746 -4.614 12.610 772 HB ILE 101 HB ILE 101 -0.696 -5.546 9.943 773 1HG1 ILE 101 2HG1 ILE 101 -2.006 -6.925 12.224 774 2HG1 ILE 101 1HG1 ILE 101 -0.591 -7.718 11.553 775 1HG2 ILE 101 1HG2 ILE 101 1.206 -4.702 11.236 776 2HG2 ILE 101 2HG2 ILE 101 0.708 -5.715 12.617 777 3HG2 ILE 101 3HG2 ILE 101 1.242 -6.440 11.080 778 1HD1 ILE 101 1HD1 ILE 101 -2.962 -6.867 9.860 779 2HD1 ILE 101 2HD1 ILE 101 -1.534 -7.766 9.320 780 3HD1 ILE 101 3HD1 ILE 101 -2.662 -8.500 10.476 781 H THR 102 H THR 102 0.560 -3.412 12.617 782 HA THR 102 HA THR 102 -0.163 -0.600 12.092 783 HB THR 102 HB THR 102 1.819 -0.278 13.668 784 HG1 THR 102 HG1 THR 102 2.587 -1.938 14.735 785 1HG2 THR 102 1HG2 THR 102 -0.580 -0.226 14.419 786 2HG2 THR 102 2HG2 THR 102 -0.456 -1.957 14.811 787 3HG2 THR 102 3HG2 THR 102 0.543 -0.770 15.674 788 H GLY 103 H GLY 103 1.827 0.798 11.444 789 1HA GLY 103 1HA GLY 103 3.966 -0.721 10.109 790 2HA GLY 103 2HA GLY 103 2.905 0.140 8.997 791 H ASN 104 H ASN 104 2.738 2.362 11.247 792 HA ASN 104 HA ASN 104 5.169 3.470 11.902 793 1HB ASN 104 1HB ASN 104 5.944 3.778 9.695 794 2HB ASN 104 2HB ASN 104 4.370 4.304 9.087 795 2HD2 ASN 104 1HD2 ASN 104 4.818 6.552 8.437 796 1HD2 ASN 104 2HD2 ASN 104 5.387 7.668 9.623 797 H MET 105 H MET 105 2.705 5.183 10.036 798 HA MET 105 HA MET 105 0.879 5.687 12.186 799 1HB MET 105 1HB MET 105 2.785 7.901 11.352 800 2HB MET 105 2HB MET 105 1.095 8.278 11.689 801 1HG MET 105 1HG MET 105 1.336 7.135 13.917 802 2HG MET 105 2HG MET 105 3.084 7.134 13.636 803 1HE MET 105 1HE MET 105 1.346 8.407 16.049 804 2HE MET 105 2HE MET 105 3.124 8.489 16.088 805 3HE MET 105 3HE MET 105 2.157 9.959 16.339 806 H GLY 106 H GLY 106 1.427 7.974 9.479 807 1HA GLY 106 1HA GLY 106 -1.237 7.368 8.549 808 2HA GLY 106 2HA GLY 106 -0.186 8.695 8.071 809 H LEU 107 H LEU 107 0.505 5.213 7.849 810 HA LEU 107 HA LEU 107 1.663 5.317 5.247 811 1HB LEU 107 1HB LEU 107 0.956 2.768 5.233 812 2HB LEU 107 2HB LEU 107 2.306 3.337 6.167 813 HG LEU 107 HG LEU 107 -0.367 3.304 7.573 814 1HD1 LEU 107 1HD1 LEU 107 1.147 0.723 7.020 815 2HD1 LEU 107 2HD1 LEU 107 -0.201 0.939 8.165 816 3HD1 LEU 107 3HD1 LEU 107 -0.485 1.140 6.445 817 1HD2 LEU 107 1HD2 LEU 107 1.793 4.049 8.630 818 2HD2 LEU 107 2HD2 LEU 107 1.082 2.633 9.436 819 3HD2 LEU 107 3HD2 LEU 107 2.462 2.454 8.318 820 H ALA 108 H ALA 108 -1.702 4.503 6.206 821 HA ALA 108 HA ALA 108 -2.458 3.760 3.558 822 1HB ALA 108 3HB ALA 108 -4.648 3.483 4.513 823 2HB ALA 108 2HB ALA 108 -4.247 4.524 5.897 824 3HB ALA 108 1HB ALA 108 -3.475 2.928 5.708 825 H MET 109 H MET 109 -1.720 6.903 4.484 826 HA MET 109 HA MET 109 -3.012 7.966 2.185 827 1HB MET 109 1HB MET 109 -4.958 7.864 3.867 828 2HB MET 109 2HB MET 109 -4.136 9.117 4.779 829 1HG MET 109 1HG MET 109 -4.355 10.655 2.952 830 2HG MET 109 2HG MET 109 -4.831 9.386 1.824 831 1HE MET 109 1HE MET 109 -7.154 8.681 1.343 832 2HE MET 109 2HE MET 109 -7.078 7.706 2.831 833 3HE MET 109 3HE MET 109 -8.494 8.729 2.505 834 H LYS 110 H LYS 110 -0.367 7.902 2.773 835 HA LYS 110 HA LYS 110 0.452 10.049 4.463 836 1HB LYS 110 1HB LYS 110 1.770 7.946 3.964 837 2HB LYS 110 2HB LYS 110 2.138 8.618 2.381 838 1HG LYS 110 2HG LYS 110 3.397 10.471 3.433 839 2HG LYS 110 1HG LYS 110 3.991 8.890 3.917 840 1HD LYS 110 1HD LYS 110 2.399 9.232 6.011 841 2HD LYS 110 2HD LYS 110 4.023 9.933 5.961 842 1HE LYS 110 1HE LYS 110 3.166 12.120 5.292 843 2HE LYS 110 2HE LYS 110 1.553 11.473 5.081 844 1HZ LYS 110 1HZ LYS 110 1.749 10.896 7.580 845 2HZ LYS 110 2HZ LYS 110 2.868 12.090 7.608 846 3HZ LYS 110 3HZ LYS 110 1.363 12.398 7.041 847 H LEU 111 H LEU 111 0.380 9.803 0.834 848 HA LEU 111 HA LEU 111 -0.275 12.533 0.548 849 1HB LEU 111 1HB LEU 111 1.597 13.365 -0.682 850 2HB LEU 111 2HB LEU 111 2.144 12.962 0.916 851 HG LEU 111 HG LEU 111 2.491 10.817 -1.202 852 1HD1 LEU 111 1HD1 LEU 111 4.138 13.352 -1.172 853 2HD1 LEU 111 2HD1 LEU 111 4.509 11.875 -2.094 854 3HD1 LEU 111 3HD1 LEU 111 3.061 12.805 -2.465 855 1HD2 LEU 111 1HD2 LEU 111 4.200 11.868 1.079 856 2HD2 LEU 111 2HD2 LEU 111 3.245 10.374 1.057 857 3HD2 LEU 111 3HD2 LEU 111 4.643 10.524 0.004 858 H GLN 112 H GLN 112 -0.142 13.041 -1.936 859 HA GLN 112 HA GLN 112 -1.617 11.248 -3.372 860 1HB GLN 112 1HB GLN 112 0.063 12.771 -5.241 861 2HB GLN 112 2HB GLN 112 -1.653 12.664 -5.051 862 1HG GLN 112 1HG GLN 112 -1.206 14.896 -4.761 863 2HG GLN 112 2HG GLN 112 -1.418 14.338 -3.111 864 2HE2 GLN 112 1HE2 GLN 112 1.676 13.969 -5.176 865 1HE2 GLN 112 2HE2 GLN 112 2.525 15.136 -4.238 866 H ASN 113 H ASN 113 1.789 11.771 -4.457 867 HA ASN 113 HA ASN 113 1.761 9.512 -6.002 868 1HB ASN 113 1HB ASN 113 4.210 10.877 -4.841 869 2HB ASN 113 2HB ASN 113 4.182 9.757 -6.214 870 2HD2 ASN 113 1HD2 ASN 113 4.148 10.683 -8.235 871 1HD2 ASN 113 2HD2 ASN 113 3.499 12.279 -8.542 872 H LEU 114 H LEU 114 1.704 9.215 -2.709 873 HA LEU 114 HA LEU 114 3.300 6.719 -2.650 874 1HB LEU 114 1HB LEU 114 3.141 8.549 -0.752 875 2HB LEU 114 2HB LEU 114 1.635 7.758 -0.343 876 HG LEU 114 HG LEU 114 3.868 5.834 -0.770 877 1HD1 LEU 114 1HD1 LEU 114 5.117 7.865 0.067 878 2HD1 LEU 114 2HD1 LEU 114 4.210 7.747 1.569 879 3HD1 LEU 114 3HD1 LEU 114 5.281 6.415 1.042 880 1HD2 LEU 114 1HD2 LEU 114 1.768 5.221 0.381 881 2HD2 LEU 114 2HD2 LEU 114 3.182 4.946 1.392 882 3HD2 LEU 114 3HD2 LEU 114 2.151 6.356 1.693 883 H GLN 115 H GLN 115 0.316 7.750 -3.723 884 HA GLN 115 HA GLN 115 -0.950 5.164 -3.546 885 1HB GLN 115 1HB GLN 115 -1.100 6.842 -1.352 886 2HB GLN 115 2HB GLN 115 -2.519 7.371 -2.208 887 1HG GLN 115 1HG GLN 115 -3.472 5.142 -2.144 888 2HG GLN 115 2HG GLN 115 -1.918 4.422 -1.677 889 2HE2 GLN 115 1HE2 GLN 115 -4.297 6.888 -0.459 890 1HE2 GLN 115 2HE2 GLN 115 -4.097 6.320 1.214 891 H LEU 116 H LEU 116 -0.264 6.365 -5.872 892 HA LEU 116 HA LEU 116 -0.818 7.230 -7.805 893 1HB LEU 116 1HB LEU 116 -3.224 5.744 -6.970 894 2HB LEU 116 2HB LEU 116 -3.569 6.910 -8.204 895 HG LEU 116 HG LEU 116 -1.640 4.579 -8.395 896 1HD1 LEU 116 1HD1 LEU 116 -4.072 4.115 -8.753 897 2HD1 LEU 116 2HD1 LEU 116 -4.112 5.354 -10.008 898 3HD1 LEU 116 3HD1 LEU 116 -3.128 3.888 -10.228 899 1HD2 LEU 116 1HD2 LEU 116 -1.904 7.038 -10.133 900 2HD2 LEU 116 2HD2 LEU 116 -0.449 6.169 -9.623 901 3HD2 LEU 116 3HD2 LEU 116 -1.493 5.492 -10.870 902 H GLN 117 H GLN 117 -2.705 8.662 -9.095 903 HA GLN 117 HA GLN 117 -2.499 11.242 -7.658 904 1HB GLN 117 1HB GLN 117 -2.982 10.381 -10.461 905 2HB GLN 117 2HB GLN 117 -4.152 11.552 -9.909 906 1HG GLN 117 2HG GLN 117 -2.029 12.905 -9.035 907 2HG GLN 117 1HG GLN 117 -2.596 12.989 -10.706 908 2HE2 GLN 117 1HE2 GLN 117 0.150 11.968 -8.698 909 1HE2 GLN 117 2HE2 GLN 117 1.047 11.311 -10.051 910 HA PRO 118 HA PRO 118 -6.774 10.767 -6.242 911 1HB PRO 118 1HB PRO 118 -7.579 13.386 -6.041 912 2HB PRO 118 2HB PRO 118 -6.481 12.601 -4.870 913 1HG PRO 118 1HG PRO 118 -5.735 14.358 -7.222 914 2HG PRO 118 2HG PRO 118 -5.135 14.451 -5.538 915 1HD PRO 118 1HD PRO 118 -3.767 13.195 -7.541 916 2HD PRO 118 2HD PRO 118 -3.735 12.590 -5.854 917 H GLY 119 H GLY 119 -9.007 11.626 -7.039 918 1HA GLY 119 1HA GLY 119 -9.637 12.786 -9.440 919 2HA GLY 119 2HA GLY 119 -9.173 11.139 -9.902 920 H ASN 120 H ASN 120 -11.054 12.797 -7.328 921 HA ASN 120 HA ASN 120 -12.838 10.576 -6.811 922 1HB ASN 120 1HB ASN 120 -12.385 12.342 -5.128 923 2HB ASN 120 2HB ASN 120 -13.099 13.554 -6.202 924 2HD2 ASN 120 1HD2 ASN 120 -13.817 10.976 -3.869 925 1HD2 ASN 120 2HD2 ASN 120 -15.540 11.187 -3.960 926 H ALA 121 H ALA 121 -14.412 9.937 -8.077 927 HA ALA 121 HA ALA 121 -15.511 9.667 -10.076 928 1HB ALA 121 3HB ALA 121 -17.590 10.990 -10.032 929 2HB ALA 121 2HB ALA 121 -16.854 12.122 -8.878 930 3HB ALA 121 1HB ALA 121 -17.135 10.436 -8.401 931 H LYS 122 H LYS 122 -13.252 10.591 -11.099 932 HA LYS 122 HA LYS 122 -13.484 13.249 -12.240 933 1HB LYS 122 1HB LYS 122 -11.381 12.048 -11.396 934 2HB LYS 122 2HB LYS 122 -11.341 11.204 -12.928 935 1HG LYS 122 1HG LYS 122 -11.242 14.220 -12.475 936 2HG LYS 122 2HG LYS 122 -9.867 13.174 -12.818 937 1HD LYS 122 1HD LYS 122 -10.743 12.727 -15.097 938 2HD LYS 122 2HD LYS 122 -12.139 13.757 -14.748 939 1HE LYS 122 2HE LYS 122 -10.652 15.681 -14.342 940 2HE LYS 122 1HE LYS 122 -10.671 15.094 -16.001 941 1HZ LYS 122 1HZ LYS 122 -8.526 14.375 -14.087 942 2HZ LYS 122 2HZ LYS 122 -8.543 14.151 -15.732 943 3HZ LYS 122 3HZ LYS 122 -8.464 15.656 -15.095 944 H LEU 123 H LEU 123 -15.579 12.671 -13.262 945 HA LEU 123 HA LEU 123 -15.077 12.139 -16.150 946 1HB LEU 123 1HB LEU 123 -17.581 12.992 -14.617 947 2HB LEU 123 2HB LEU 123 -17.405 13.152 -16.346 948 HG LEU 123 HG LEU 123 -18.750 11.234 -15.847 949 1HD1 LEU 123 1HD1 LEU 123 -17.212 11.157 -17.808 950 2HD1 LEU 123 2HD1 LEU 123 -16.044 10.256 -16.838 951 3HD1 LEU 123 3HD1 LEU 123 -17.656 9.564 -17.189 952 1HD2 LEU 123 1HD2 LEU 123 -17.819 10.694 -13.596 953 2HD2 LEU 123 2HD2 LEU 123 -18.034 9.286 -14.641 954 3HD2 LEU 123 3HD2 LEU 123 -16.407 9.962 -14.378 No H/Q in entry = 954 Start of MODEL 13 1 H SER 1 H SER 1 -0.293 -16.010 -0.539 2 HA SER 1 HA SER 1 2.366 -16.909 0.281 3 1HB SER 1 2HB SER 1 1.975 -19.154 -0.598 4 2HB SER 1 1HB SER 1 0.295 -18.756 -0.993 5 HG SER 1 HG SER 1 0.174 -19.795 0.888 6 H SER 2 H SER 2 3.678 -17.293 -1.644 7 HA SER 2 HA SER 2 3.470 -15.426 -3.632 8 1HB SER 2 2HB SER 2 5.448 -16.443 -4.415 9 2HB SER 2 1HB SER 2 4.877 -18.071 -4.022 10 HG SER 2 HG SER 2 6.226 -16.249 -2.465 11 H ALA 3 H ALA 3 3.325 -15.746 -5.996 12 HA ALA 3 HA ALA 3 2.959 -16.650 -7.938 13 1HB ALA 3 1HB ALA 3 3.537 -18.920 -7.025 14 2HB ALA 3 3HB ALA 3 2.368 -18.942 -8.360 15 3HB ALA 3 2HB ALA 3 1.804 -19.177 -6.702 16 H SER 4 H SER 4 0.581 -15.884 -5.737 17 HA SER 4 HA SER 4 -1.660 -16.118 -7.635 18 1HB SER 4 1HB SER 4 -1.540 -14.937 -4.865 19 2HB SER 4 2HB SER 4 -2.928 -14.788 -5.970 20 HG SER 4 HG SER 4 -1.859 -17.187 -4.923 21 H ASP 5 H ASP 5 -0.687 -13.103 -5.936 22 HA ASP 5 HA ASP 5 -0.215 -10.973 -6.933 23 1HB ASP 5 1HB ASP 5 2.123 -11.474 -8.117 24 2HB ASP 5 2HB ASP 5 1.829 -11.390 -6.402 25 H GLY 6 H GLY 6 -2.102 -12.297 -8.861 26 1HA GLY 6 1HA GLY 6 -1.286 -10.846 -11.326 27 2HA GLY 6 2HA GLY 6 -2.546 -12.052 -11.168 28 H PHE 7 H PHE 7 -2.704 -9.695 -8.739 29 HA PHE 7 HA PHE 7 -5.428 -9.260 -9.431 30 1HB PHE 7 1HB PHE 7 -3.619 -8.168 -7.241 31 2HB PHE 7 2HB PHE 7 -5.342 -7.862 -7.299 32 HD1 PHE 7 HD1 PHE 7 -2.917 -10.786 -7.278 33 HD2 PHE 7 HD2 PHE 7 -6.724 -9.215 -6.099 34 HE1 PHE 7 HE1 PHE 7 -3.350 -12.818 -6.021 35 HE2 PHE 7 HE2 PHE 7 -7.142 -11.294 -4.742 36 HZ PHE 7 HZ PHE 7 -5.426 -13.081 -4.720 37 H LYS 8 H LYS 8 -6.524 -7.081 -9.226 38 HA LYS 8 HA LYS 8 -5.475 -4.954 -10.857 39 1HB LYS 8 1HB LYS 8 -7.650 -5.123 -8.722 40 2HB LYS 8 2HB LYS 8 -7.206 -3.594 -9.496 41 1HG LYS 8 1HG LYS 8 -7.646 -4.506 -11.718 42 2HG LYS 8 2HG LYS 8 -8.103 -6.068 -11.007 43 1HD LYS 8 1HD LYS 8 -10.029 -5.092 -9.920 44 2HD LYS 8 2HD LYS 8 -9.495 -3.446 -10.340 45 1HE LYS 8 1HE LYS 8 -9.709 -3.999 -12.741 46 2HE LYS 8 2HE LYS 8 -10.330 -5.604 -12.333 47 1HZ LYS 8 1HZ LYS 8 -11.597 -3.054 -11.533 48 2HZ LYS 8 2HZ LYS 8 -12.048 -3.922 -12.852 49 3HZ LYS 8 3HZ LYS 8 -12.242 -4.550 -11.332 50 H ALA 9 H ALA 9 -4.845 -5.809 -7.446 51 HA ALA 9 HA ALA 9 -3.691 -3.411 -6.555 52 1HB ALA 9 2HB ALA 9 -2.402 -4.883 -5.052 53 2HB ALA 9 1HB ALA 9 -2.877 -6.291 -5.995 54 3HB ALA 9 3HB ALA 9 -4.105 -5.341 -5.119 55 H ASN 10 H ASN 10 -2.595 -5.392 -9.093 56 HA ASN 10 HA ASN 10 0.273 -5.000 -8.806 57 1HB ASN 10 1HB ASN 10 -1.198 -6.934 -9.966 58 2HB ASN 10 2HB ASN 10 -1.054 -5.892 -11.378 59 2HD2 ASN 10 1HD2 ASN 10 0.299 -8.404 -9.553 60 1HD2 ASN 10 2HD2 ASN 10 1.947 -8.302 -9.904 61 H LEU 11 H LEU 11 -2.371 -3.232 -10.101 62 HA LEU 11 HA LEU 11 -0.847 -1.434 -11.829 63 1HB LEU 11 1HB LEU 11 -3.669 -1.359 -10.627 64 2HB LEU 11 2HB LEU 11 -2.999 -0.191 -11.711 65 HG LEU 11 HG LEU 11 -4.618 -1.737 -12.727 66 1HD1 LEU 11 1HD1 LEU 11 -2.949 -0.536 -14.079 67 2HD1 LEU 11 2HD1 LEU 11 -1.887 -1.958 -13.990 68 3HD1 LEU 11 3HD1 LEU 11 -3.475 -2.073 -14.791 69 1HD2 LEU 11 1HD2 LEU 11 -3.815 -3.896 -11.616 70 2HD2 LEU 11 2HD2 LEU 11 -4.218 -3.949 -13.331 71 3HD2 LEU 11 3HD2 LEU 11 -2.514 -3.916 -12.814 72 H VAL 12 H VAL 12 -2.737 -1.250 -8.796 73 HA VAL 12 HA VAL 12 -1.992 1.334 -8.144 74 HB VAL 12 HB VAL 12 -3.235 -0.966 -6.619 75 1HG1 VAL 12 1HG1 VAL 12 -2.201 1.572 -5.422 76 2HG1 VAL 12 2HG1 VAL 12 -3.738 0.926 -4.829 77 3HG1 VAL 12 3HG1 VAL 12 -2.237 -0.028 -4.742 78 1HG2 VAL 12 1HG2 VAL 12 -4.191 1.795 -7.477 79 2HG2 VAL 12 2HG2 VAL 12 -4.550 0.252 -8.290 80 3HG2 VAL 12 3HG2 VAL 12 -5.168 0.560 -6.651 81 H PHE 13 H PHE 13 -0.554 -1.663 -6.596 82 HA PHE 13 HA PHE 13 1.073 0.054 -4.928 83 1HB PHE 13 1HB PHE 13 1.437 -2.865 -5.657 84 2HB PHE 13 2HB PHE 13 2.294 -2.026 -4.375 85 HD1 PHE 13 HD1 PHE 13 -0.013 -0.470 -3.068 86 HD2 PHE 13 HD2 PHE 13 0.236 -4.486 -4.572 87 HE1 PHE 13 HE1 PHE 13 -1.693 -1.229 -1.378 88 HE2 PHE 13 HE2 PHE 13 -1.280 -5.257 -2.832 89 HZ PHE 13 HZ PHE 13 -2.262 -3.606 -1.191 90 H LYS 14 H LYS 14 1.408 -1.054 -8.208 91 HA LYS 14 HA LYS 14 4.264 -0.747 -8.348 92 1HB LYS 14 1HB LYS 14 2.749 -1.895 -9.934 93 2HB LYS 14 2HB LYS 14 2.277 -0.345 -10.596 94 1HG LYS 14 1HG LYS 14 4.582 0.237 -11.187 95 2HG LYS 14 2HG LYS 14 5.207 -1.186 -10.375 96 1HD LYS 14 1HD LYS 14 5.188 -1.346 -12.822 97 2HD LYS 14 2HD LYS 14 4.318 -2.648 -12.037 98 1HE LYS 14 1HE LYS 14 2.778 -0.215 -12.933 99 2HE LYS 14 2HE LYS 14 3.415 -1.280 -14.189 100 1HZ LYS 14 1HZ LYS 14 1.646 -2.224 -12.023 101 2HZ LYS 14 2HZ LYS 14 1.194 -1.851 -13.567 102 3HZ LYS 14 3HZ LYS 14 2.237 -3.107 -13.272 103 H GLU 15 H GLU 15 1.520 1.425 -8.823 104 HA GLU 15 HA GLU 15 3.027 3.709 -9.645 105 1HB GLU 15 1HB GLU 15 0.682 3.806 -7.688 106 2HB GLU 15 2HB GLU 15 1.342 5.175 -8.579 107 1HG GLU 15 1HG GLU 15 0.045 2.755 -9.859 108 2HG GLU 15 2HG GLU 15 -0.737 4.266 -9.505 109 H ILE 16 H ILE 16 2.730 2.371 -6.370 110 HA ILE 16 HA ILE 16 4.065 4.566 -5.039 111 HB ILE 16 HB ILE 16 3.354 1.701 -4.266 112 1HG1 ILE 16 1HG1 ILE 16 2.053 4.345 -3.483 113 2HG1 ILE 16 2HG1 ILE 16 1.435 3.266 -4.725 114 1HG2 ILE 16 1HG2 ILE 16 5.287 2.525 -2.954 115 2HG2 ILE 16 2HG2 ILE 16 4.280 3.878 -2.390 116 3HG2 ILE 16 3HG2 ILE 16 3.854 2.200 -1.988 117 1HD1 ILE 16 1HD1 ILE 16 1.232 1.443 -3.030 118 2HD1 ILE 16 2HD1 ILE 16 1.589 2.656 -1.771 119 3HD1 ILE 16 3HD1 ILE 16 0.153 2.825 -2.801 120 H GLU 17 H GLU 17 4.929 1.284 -6.238 121 HA GLU 17 HA GLU 17 7.687 1.359 -5.684 122 1HB GLU 17 1HB GLU 17 6.417 -0.644 -6.345 123 2HB GLU 17 2HB GLU 17 6.211 0.000 -7.954 124 1HG GLU 17 1HG GLU 17 8.531 -0.143 -8.479 125 2HG GLU 17 2HG GLU 17 8.970 -0.465 -6.803 126 H LYS 18 H LYS 18 5.996 2.489 -8.634 127 HA LYS 18 HA LYS 18 8.329 3.075 -10.042 128 1HB LYS 18 1HB LYS 18 6.957 3.616 -11.696 129 2HB LYS 18 2HB LYS 18 5.700 3.018 -10.683 130 1HG LYS 18 2HG LYS 18 5.438 5.557 -9.913 131 2HG LYS 18 1HG LYS 18 4.764 4.957 -11.427 132 1HD LYS 18 1HD LYS 18 7.426 6.413 -11.174 133 2HD LYS 18 2HD LYS 18 6.795 5.668 -12.644 134 1HE LYS 18 1HE LYS 18 4.796 7.163 -12.484 135 2HE LYS 18 2HE LYS 18 5.599 8.033 -11.161 136 1HZ LYS 18 1HZ LYS 18 6.781 7.637 -13.856 137 2HZ LYS 18 2HZ LYS 18 5.987 9.008 -13.399 138 3HZ LYS 18 3HZ LYS 18 7.400 8.558 -12.680 139 H LYS 19 H LYS 19 6.511 5.046 -7.697 140 HA LYS 19 HA LYS 19 8.162 7.382 -8.126 141 1HB LYS 19 1HB LYS 19 5.924 7.674 -7.244 142 2HB LYS 19 2HB LYS 19 6.266 6.608 -5.877 143 1HG LYS 19 1HG LYS 19 6.265 8.930 -5.170 144 2HG LYS 19 2HG LYS 19 7.852 8.213 -4.951 145 1HD LYS 19 1HD LYS 19 8.336 9.397 -7.323 146 2HD LYS 19 2HD LYS 19 6.923 10.360 -6.868 147 1HE LYS 19 1HE LYS 19 8.106 10.788 -4.632 148 2HE LYS 19 2HE LYS 19 9.503 9.941 -5.302 149 1HZ LYS 19 1HZ LYS 19 9.458 11.664 -7.105 150 2HZ LYS 19 2HZ LYS 19 8.364 12.509 -6.215 151 3HZ LYS 19 3HZ LYS 19 9.883 12.244 -5.650 152 H LEU 20 H LEU 20 8.346 4.526 -5.915 153 HA LEU 20 HA LEU 20 10.488 5.469 -4.363 154 1HB LEU 20 1HB LEU 20 8.986 3.010 -4.759 155 2HB LEU 20 2HB LEU 20 10.677 2.657 -4.640 156 HG LEU 20 HG LEU 20 9.900 4.674 -2.611 157 1HD1 LEU 20 1HD1 LEU 20 7.722 3.626 -2.908 158 2HD1 LEU 20 2HD1 LEU 20 8.432 2.048 -2.488 159 3HD1 LEU 20 3HD1 LEU 20 8.419 3.364 -1.296 160 1HD2 LEU 20 1HD2 LEU 20 11.944 3.209 -2.627 161 2HD2 LEU 20 2HD2 LEU 20 11.041 3.234 -1.113 162 3HD2 LEU 20 3HD2 LEU 20 10.872 1.847 -2.196 163 H GLU 21 H GLU 21 10.401 3.607 -7.345 164 HA GLU 21 HA GLU 21 13.182 3.515 -7.771 165 1HB GLU 21 2HB GLU 21 12.610 2.913 -10.079 166 2HB GLU 21 1HB GLU 21 10.933 3.397 -9.791 167 1HG GLU 21 1HG GLU 21 10.854 1.615 -7.920 168 2HG GLU 21 2HG GLU 21 10.924 1.046 -9.575 169 H GLU 22 H GLU 22 10.807 6.043 -9.016 170 HA GLU 22 HA GLU 22 12.753 7.590 -10.325 171 1HB GLU 22 1HB GLU 22 10.084 8.190 -9.013 172 2HB GLU 22 2HB GLU 22 11.062 9.435 -9.758 173 1HG GLU 22 1HG GLU 22 10.982 7.286 -11.648 174 2HG GLU 22 2HG GLU 22 9.371 7.433 -11.002 175 H GLU 23 H GLU 23 11.595 7.760 -6.922 176 HA GLU 23 HA GLU 23 13.973 9.073 -5.990 177 1HB GLU 23 1HB GLU 23 12.566 10.826 -7.300 178 2HB GLU 23 2HB GLU 23 11.400 10.676 -5.981 179 1HG GLU 23 1HG GLU 23 13.206 11.181 -4.380 180 2HG GLU 23 2HG GLU 23 14.352 11.273 -5.737 181 H GLY 24 H GLY 24 13.293 6.796 -5.009 182 1HA GLY 24 1HA GLY 24 11.333 6.675 -2.971 183 2HA GLY 24 2HA GLY 24 12.688 5.568 -3.224 184 H GLU 25 H GLU 25 14.605 7.922 -2.915 185 HA GLU 25 HA GLU 25 15.435 7.432 -0.379 186 1HB GLU 25 1HB GLU 25 16.675 9.629 -0.510 187 2HB GLU 25 2HB GLU 25 16.837 8.638 -1.954 188 1HG GLU 25 1HG GLU 25 15.941 10.215 -3.295 189 2HG GLU 25 2HG GLU 25 14.558 10.498 -2.251 190 H GLN 26 H GLN 26 13.005 9.860 -1.227 191 HA GLN 26 HA GLN 26 12.830 10.915 1.463 192 1HB GLN 26 1HB GLN 26 12.874 12.160 -0.681 193 2HB GLN 26 2HB GLN 26 11.355 11.465 -1.134 194 1HG GLN 26 1HG GLN 26 11.793 13.077 1.378 195 2HG GLN 26 2HG GLN 26 11.411 13.816 -0.181 196 2HE2 GLN 26 1HE2 GLN 26 9.383 11.882 -1.090 197 1HE2 GLN 26 2HE2 GLN 26 7.992 12.247 -0.124 198 H PHE 27 H PHE 27 10.834 8.740 -0.712 199 HA PHE 27 HA PHE 27 8.663 8.339 1.034 200 1HB PHE 27 1HB PHE 27 9.985 7.048 -1.320 201 2HB PHE 27 2HB PHE 27 9.165 5.944 -0.249 202 HD1 PHE 27 HD1 PHE 27 8.241 9.442 -1.298 203 HD2 PHE 27 HD2 PHE 27 7.239 5.257 -1.418 204 HE1 PHE 27 HE1 PHE 27 6.251 9.964 -2.639 205 HE2 PHE 27 HE2 PHE 27 5.289 5.772 -2.847 206 HZ PHE 27 HZ PHE 27 4.757 8.103 -3.439 207 H VAL 28 H VAL 28 12.067 6.962 0.997 208 HA VAL 28 HA VAL 28 11.688 5.179 3.186 209 HB VAL 28 HB VAL 28 14.088 6.751 2.208 210 1HG1 VAL 28 1HG1 VAL 28 13.952 4.736 4.459 211 2HG1 VAL 28 2HG1 VAL 28 15.463 5.153 3.604 212 3HG1 VAL 28 3HG1 VAL 28 14.589 6.391 4.521 213 1HG2 VAL 28 1HG2 VAL 28 13.250 4.919 0.728 214 2HG2 VAL 28 2HG2 VAL 28 14.884 4.681 1.353 215 3HG2 VAL 28 3HG2 VAL 28 13.548 3.781 2.048 216 H LYS 29 H LYS 29 12.935 8.570 3.215 217 HA LYS 29 HA LYS 29 13.049 8.626 5.999 218 1HB LYS 29 1HB LYS 29 13.927 10.697 5.802 219 2HB LYS 29 2HB LYS 29 14.125 10.118 4.169 220 1HG LYS 29 2HG LYS 29 11.782 11.321 3.788 221 2HG LYS 29 1HG LYS 29 13.312 12.180 3.719 222 1HD LYS 29 1HD LYS 29 12.423 12.168 6.473 223 2HD LYS 29 2HD LYS 29 12.742 13.513 5.394 224 1HE LYS 29 1HE LYS 29 10.422 13.321 4.483 225 2HE LYS 29 2HE LYS 29 10.145 11.938 5.553 226 1HZ LYS 29 1HZ LYS 29 10.687 13.473 7.436 227 2HZ LYS 29 2HZ LYS 29 10.672 14.721 6.426 228 3HZ LYS 29 3HZ LYS 29 9.295 13.865 6.672 229 H LYS 30 H LYS 30 10.226 9.075 4.078 230 HA LYS 30 HA LYS 30 8.531 10.200 6.132 231 1HB LYS 30 1HB LYS 30 7.988 8.608 3.593 232 2HB LYS 30 2HB LYS 30 6.706 9.124 4.696 233 1HG LYS 30 1HG LYS 30 7.446 11.464 4.422 234 2HG LYS 30 2HG LYS 30 8.666 10.982 3.269 235 1HD LYS 30 1HD LYS 30 7.057 10.218 1.683 236 2HD LYS 30 2HD LYS 30 5.741 10.274 2.846 237 1HE LYS 30 1HE LYS 30 7.251 12.749 1.929 238 2HE LYS 30 2HE LYS 30 5.808 12.156 1.121 239 1HZ LYS 30 1HZ LYS 30 5.876 12.954 3.970 240 2HZ LYS 30 2HZ LYS 30 5.361 13.911 2.739 241 3HZ LYS 30 3HZ LYS 30 4.550 12.512 3.046 242 H ILE 31 H ILE 31 8.739 6.732 4.946 243 HA ILE 31 HA ILE 31 7.060 5.932 7.210 244 HB ILE 31 HB ILE 31 8.296 4.486 4.849 245 1HG1 ILE 31 2HG1 ILE 31 5.600 5.689 5.509 246 2HG1 ILE 31 1HG1 ILE 31 5.562 4.128 4.709 247 1HG2 ILE 31 1HG2 ILE 31 6.469 3.448 7.016 248 2HG2 ILE 31 2HG2 ILE 31 6.957 2.551 5.570 249 3HG2 ILE 31 3HG2 ILE 31 8.166 2.942 6.766 250 1HD1 ILE 31 1HD1 ILE 31 6.956 4.973 2.881 251 2HD1 ILE 31 2HD1 ILE 31 5.431 5.868 3.068 252 3HD1 ILE 31 3HD1 ILE 31 6.946 6.584 3.637 253 H GLY 32 H GLY 32 10.384 5.033 6.001 254 1HA GLY 32 1HA GLY 32 12.201 4.221 6.996 255 2HA GLY 32 2HA GLY 32 11.633 4.937 8.491 256 H GLY 33 H GLY 33 10.689 2.128 6.366 257 1HA GLY 33 1HA GLY 33 11.448 0.173 8.240 258 2HA GLY 33 2HA GLY 33 9.699 0.398 8.378 259 H ILE 34 H ILE 34 10.389 -2.048 7.589 260 HA ILE 34 HA ILE 34 9.631 -2.077 4.713 261 HB ILE 34 HB ILE 34 10.625 -4.346 6.481 262 1HG1 ILE 34 1HG1 ILE 34 11.921 -3.851 3.834 263 2HG1 ILE 34 2HG1 ILE 34 12.175 -2.558 5.003 264 1HG2 ILE 34 1HG2 ILE 34 9.656 -4.425 3.586 265 2HG2 ILE 34 2HG2 ILE 34 10.426 -5.775 4.441 266 3HG2 ILE 34 3HG2 ILE 34 8.847 -5.181 4.957 267 1HD1 ILE 34 1HD1 ILE 34 12.967 -4.273 6.672 268 2HD1 ILE 34 2HD1 ILE 34 12.814 -5.510 5.405 269 3HD1 ILE 34 3HD1 ILE 34 13.967 -4.171 5.215 270 H PHE 35 H PHE 35 7.528 -2.758 4.291 271 HA PHE 35 HA PHE 35 6.079 -4.080 6.494 272 1HB PHE 35 2HB PHE 35 5.477 -1.818 6.796 273 2HB PHE 35 1HB PHE 35 4.095 -2.724 6.200 274 HD1 PHE 35 HD1 PHE 35 3.738 -2.615 3.559 275 HD2 PHE 35 HD2 PHE 35 6.075 0.240 5.781 276 HE1 PHE 35 HE1 PHE 35 3.523 -1.023 1.734 277 HE2 PHE 35 HE2 PHE 35 5.690 1.918 3.964 278 HZ PHE 35 HZ PHE 35 4.411 1.302 1.954 279 H ALA 36 H ALA 36 4.273 -5.305 5.817 280 HA ALA 36 HA ALA 36 4.268 -6.042 2.925 281 1HB ALA 36 2HB ALA 36 3.237 -8.167 3.712 282 2HB ALA 36 3HB ALA 36 4.880 -7.907 4.316 283 3HB ALA 36 1HB ALA 36 3.492 -7.632 5.385 284 H PHE 37 H PHE 37 2.099 -6.637 2.105 285 HA PHE 37 HA PHE 37 -0.214 -5.228 3.370 286 1HB PHE 37 1HB PHE 37 0.583 -5.418 0.426 287 2HB PHE 37 2HB PHE 37 -0.995 -4.891 0.985 288 HD1 PHE 37 HD1 PHE 37 -0.154 -3.037 3.268 289 HD2 PHE 37 HD2 PHE 37 1.328 -3.541 -0.752 290 HE1 PHE 37 HE1 PHE 37 0.369 -0.637 3.164 291 HE2 PHE 37 HE2 PHE 37 1.963 -1.192 -0.824 292 HZ PHE 37 HZ PHE 37 1.427 0.331 1.129 293 H LYS 38 H LYS 38 -1.519 -7.042 4.126 294 HA LYS 38 HA LYS 38 -1.674 -9.413 2.351 295 1HB LYS 38 1HB LYS 38 -2.110 -9.858 4.761 296 2HB LYS 38 2HB LYS 38 -3.288 -8.539 4.824 297 1HG LYS 38 1HG LYS 38 -4.978 -9.740 3.920 298 2HG LYS 38 2HG LYS 38 -3.950 -10.454 2.702 299 1HD LYS 38 1HD LYS 38 -3.156 -12.023 4.697 300 2HD LYS 38 2HD LYS 38 -4.765 -11.598 5.332 301 1HE LYS 38 1HE LYS 38 -5.636 -12.132 2.935 302 2HE LYS 38 2HE LYS 38 -4.027 -12.774 2.607 303 1HZ LYS 38 1HZ LYS 38 -4.521 -14.337 4.540 304 2HZ LYS 38 2HZ LYS 38 -6.088 -13.874 4.414 305 3HZ LYS 38 3HZ LYS 38 -5.367 -14.589 3.145 306 H VAL 39 H VAL 39 -2.864 -9.188 0.470 307 HA VAL 39 HA VAL 39 -5.232 -7.381 0.638 308 HB VAL 39 HB VAL 39 -3.803 -8.165 -1.946 309 1HG1 VAL 39 1HG1 VAL 39 -5.872 -6.112 -1.083 310 2HG1 VAL 39 2HG1 VAL 39 -5.068 -6.066 -2.668 311 3HG1 VAL 39 3HG1 VAL 39 -6.060 -7.451 -2.221 312 1HG2 VAL 39 1HG2 VAL 39 -3.070 -5.961 -0.056 313 2HG2 VAL 39 2HG2 VAL 39 -2.052 -6.982 -1.071 314 3HG2 VAL 39 3HG2 VAL 39 -3.038 -5.692 -1.801 315 H LYS 40 H LYS 40 -7.021 -8.661 0.823 316 HA LYS 40 HA LYS 40 -7.078 -11.302 -0.576 317 1HB LYS 40 1HB LYS 40 -8.855 -11.861 1.234 318 2HB LYS 40 2HB LYS 40 -7.169 -11.942 1.618 319 1HG LYS 40 1HG LYS 40 -7.310 -9.712 2.777 320 2HG LYS 40 2HG LYS 40 -9.040 -9.663 2.373 321 1HD LYS 40 1HD LYS 40 -9.246 -11.903 3.608 322 2HD LYS 40 2HD LYS 40 -7.564 -11.688 4.104 323 1HE LYS 40 2HE LYS 40 -8.274 -9.447 5.118 324 2HE LYS 40 1HE LYS 40 -8.771 -10.933 5.922 325 1HZ LYS 40 1HZ LYS 40 -10.937 -10.732 4.780 326 2HZ LYS 40 2HZ LYS 40 -10.608 -9.571 5.870 327 3HZ LYS 40 3HZ LYS 40 -10.543 -9.257 4.227 328 H ASP 41 H ASP 41 -9.373 -11.973 -0.859 329 HA ASP 41 HA ASP 41 -11.396 -11.764 -1.867 330 1HB ASP 41 1HB ASP 41 -11.693 -10.348 0.350 331 2HB ASP 41 2HB ASP 41 -11.573 -8.957 -0.684 332 H GLY 42 H GLY 42 -9.005 -10.750 -3.282 333 1HA GLY 42 1HA GLY 42 -9.887 -8.516 -4.924 334 2HA GLY 42 2HA GLY 42 -8.492 -9.555 -5.197 335 HA PRO 43 HA PRO 43 -11.969 -10.241 -8.245 336 1HB PRO 43 1HB PRO 43 -10.551 -9.575 -10.549 337 2HB PRO 43 2HB PRO 43 -11.463 -8.437 -9.534 338 1HG PRO 43 1HG PRO 43 -8.489 -8.981 -9.526 339 2HG PRO 43 2HG PRO 43 -9.335 -7.404 -9.464 340 1HD PRO 43 1HD PRO 43 -8.393 -8.597 -7.238 341 2HD PRO 43 2HD PRO 43 -9.915 -7.678 -7.233 342 H GLY 44 H GLY 44 -10.673 -12.294 -6.986 343 1HA GLY 44 1HA GLY 44 -10.693 -14.406 -8.880 344 2HA GLY 44 2HA GLY 44 -9.032 -14.091 -8.356 345 H GLY 45 H GLY 45 -10.143 -13.248 -5.468 346 1HA GLY 45 1HA GLY 45 -11.315 -14.181 -3.712 347 2HA GLY 45 2HA GLY 45 -11.576 -15.676 -4.618 348 H LYS 46 H LYS 46 -8.499 -15.190 -5.168 349 HA LYS 46 HA LYS 46 -7.169 -16.483 -2.906 350 1HB LYS 46 1HB LYS 46 -6.423 -15.033 -5.472 351 2HB LYS 46 2HB LYS 46 -5.160 -15.582 -4.381 352 1HG LYS 46 1HG LYS 46 -7.097 -17.424 -5.815 353 2HG LYS 46 2HG LYS 46 -5.417 -17.059 -6.216 354 1HD LYS 46 1HD LYS 46 -5.029 -18.984 -5.099 355 2HD LYS 46 2HD LYS 46 -4.954 -17.887 -3.723 356 1HE LYS 46 1HE LYS 46 -7.478 -18.392 -3.401 357 2HE LYS 46 2HE LYS 46 -7.289 -19.632 -4.635 358 1HZ LYS 46 1HZ LYS 46 -5.601 -20.665 -3.181 359 2HZ LYS 46 2HZ LYS 46 -5.942 -19.551 -2.000 360 3HZ LYS 46 3HZ LYS 46 -7.120 -20.556 -2.487 361 H GLU 47 H GLU 47 -5.045 -15.081 -2.532 362 HA GLU 47 HA GLU 47 -5.562 -12.266 -2.079 363 1HB GLU 47 1HB GLU 47 -4.285 -12.317 0.057 364 2HB GLU 47 2HB GLU 47 -5.822 -13.145 0.180 365 1HG GLU 47 1HG GLU 47 -3.284 -14.691 -0.404 366 2HG GLU 47 2HG GLU 47 -3.647 -14.134 1.222 367 H ALA 48 H ALA 48 -3.539 -11.090 -2.056 368 HA ALA 48 HA ALA 48 -1.129 -12.417 -3.221 369 1HB ALA 48 1HB ALA 48 -2.247 -9.676 -3.878 370 2HB ALA 48 2HB ALA 48 -0.604 -10.254 -4.275 371 3HB ALA 48 3HB ALA 48 -1.990 -11.062 -4.971 372 H THR 49 H THR 49 0.805 -10.895 -2.554 373 HA THR 49 HA THR 49 0.249 -8.860 -0.582 374 HB THR 49 HB THR 49 2.023 -11.236 0.086 375 HG1 THR 49 HG1 THR 49 -0.312 -10.897 0.587 376 1HG2 THR 49 1HG2 THR 49 1.999 -8.525 1.478 377 2HG2 THR 49 2HG2 THR 49 2.710 -10.006 2.146 378 3HG2 THR 49 3HG2 THR 49 3.385 -9.286 0.684 379 H TRP 50 H TRP 50 1.905 -7.267 -0.532 380 HA TRP 50 HA TRP 50 4.117 -7.484 -2.541 381 1HB TRP 50 1HB TRP 50 2.038 -5.347 -2.012 382 2HB TRP 50 2HB TRP 50 3.697 -4.788 -2.120 383 HD1 TRP 50 HD1 TRP 50 4.446 -4.115 -4.523 384 HE1 TRP 50 HE1 TRP 50 3.466 -4.502 -6.915 385 HE3 TRP 50 HE3 TRP 50 0.613 -7.300 -3.387 386 HZ2 TRP 50 HZ2 TRP 50 1.736 -6.350 -8.117 387 HZ3 TRP 50 HZ3 TRP 50 -0.842 -8.196 -5.198 388 HH2 TRP 50 HH2 TRP 50 -0.261 -7.803 -7.564 389 H VAL 51 H VAL 51 6.129 -6.535 -1.597 390 HA VAL 51 HA VAL 51 6.006 -5.877 1.306 391 HB VAL 51 HB VAL 51 8.335 -7.043 -0.246 392 1HG1 VAL 51 1HG1 VAL 51 7.934 -6.579 2.739 393 2HG1 VAL 51 2HG1 VAL 51 9.328 -7.392 2.009 394 3HG1 VAL 51 3HG1 VAL 51 9.042 -5.687 1.671 395 1HG2 VAL 51 1HG2 VAL 51 6.502 -8.556 1.637 396 2HG2 VAL 51 2HG2 VAL 51 6.667 -8.805 -0.122 397 3HG2 VAL 51 3HG2 VAL 51 8.019 -9.153 0.929 398 H VAL 52 H VAL 52 6.838 -3.750 1.746 399 HA VAL 52 HA VAL 52 8.084 -2.323 -0.565 400 HB VAL 52 HB VAL 52 6.313 -1.248 1.632 401 1HG1 VAL 52 1HG1 VAL 52 8.111 0.334 1.097 402 2HG1 VAL 52 2HG1 VAL 52 7.712 0.275 -0.608 403 3HG1 VAL 52 3HG1 VAL 52 6.556 0.960 0.552 404 1HG2 VAL 52 1HG2 VAL 52 5.834 -1.350 -1.380 405 2HG2 VAL 52 2HG2 VAL 52 4.972 -2.292 -0.162 406 3HG2 VAL 52 3HG2 VAL 52 4.795 -0.534 -0.208 407 H ASP 53 H ASP 53 10.259 -1.969 -0.118 408 HA ASP 53 HA ASP 53 11.062 -1.739 2.725 409 1HB ASP 53 1HB ASP 53 12.470 -3.042 0.897 410 2HB ASP 53 2HB ASP 53 12.976 -1.440 0.415 411 H VAL 54 H VAL 54 10.809 0.275 3.482 412 HA VAL 54 HA VAL 54 11.755 2.514 1.841 413 HB VAL 54 HB VAL 54 9.901 3.899 3.105 414 1HG1 VAL 54 1HG1 VAL 54 9.353 2.247 0.643 415 2HG1 VAL 54 2HG1 VAL 54 8.361 3.622 1.194 416 3HG1 VAL 54 3HG1 VAL 54 10.052 3.875 0.758 417 1HG2 VAL 54 1HG2 VAL 54 8.515 1.178 3.038 418 2HG2 VAL 54 2HG2 VAL 54 8.946 2.131 4.457 419 3HG2 VAL 54 3HG2 VAL 54 7.742 2.743 3.302 420 H LYS 55 H LYS 55 13.334 1.049 3.333 421 HA LYS 55 HA LYS 55 14.020 2.916 5.554 422 1HB LYS 55 1HB LYS 55 12.774 0.846 6.293 423 2HB LYS 55 2HB LYS 55 14.112 -0.122 5.744 424 1HG LYS 55 1HG LYS 55 14.642 2.159 7.688 425 2HG LYS 55 2HG LYS 55 13.813 0.707 8.257 426 1HD LYS 55 1HD LYS 55 15.723 -0.662 7.262 427 2HD LYS 55 2HD LYS 55 16.627 0.853 7.118 428 1HE LYS 55 1HE LYS 55 15.294 -0.051 9.712 429 2HE LYS 55 2HE LYS 55 16.899 -0.605 9.258 430 1HZ LYS 55 1HZ LYS 55 16.209 2.250 9.642 431 2HZ LYS 55 2HZ LYS 55 17.019 1.299 10.702 432 3HZ LYS 55 3HZ LYS 55 17.668 1.648 9.232 433 H ASN 56 H ASN 56 15.026 0.148 3.477 434 HA ASN 56 HA ASN 56 17.848 0.466 4.268 435 1HB ASN 56 1HB ASN 56 16.182 -1.450 2.564 436 2HB ASN 56 2HB ASN 56 17.895 -1.413 2.396 437 2HD2 ASN 56 1HD2 ASN 56 15.412 -2.737 4.146 438 1HD2 ASN 56 2HD2 ASN 56 16.380 -3.532 5.397 439 H GLY 57 H GLY 57 19.397 1.424 2.857 440 1HA GLY 57 1HA GLY 57 20.244 2.533 1.035 441 2HA GLY 57 2HA GLY 57 19.205 1.508 0.023 442 H LYS 58 H LYS 58 18.169 2.847 -1.308 443 HA LYS 58 HA LYS 58 16.910 5.328 -0.367 444 1HB LYS 58 2HB LYS 58 16.882 6.154 -2.505 445 2HB LYS 58 1HB LYS 58 16.866 4.562 -3.244 446 1HG LYS 58 1HG LYS 58 19.264 5.934 -2.027 447 2HG LYS 58 2HG LYS 58 19.265 4.260 -2.599 448 1HD LYS 58 1HD LYS 58 20.204 5.271 -4.372 449 2HD LYS 58 2HD LYS 58 18.522 5.199 -4.893 450 1HE LYS 58 1HE LYS 58 18.213 7.567 -4.426 451 2HE LYS 58 2HE LYS 58 19.763 7.649 -3.554 452 1HZ LYS 58 1HZ LYS 58 19.517 7.058 -6.439 453 2HZ LYS 58 2HZ LYS 58 19.982 8.512 -5.827 454 3HZ LYS 58 3HZ LYS 58 20.909 7.182 -5.611 455 H GLY 59 H GLY 59 16.089 2.113 -0.274 456 1HA GLY 59 1HA GLY 59 13.971 1.295 0.063 457 2HA GLY 59 2HA GLY 59 13.250 2.747 -0.636 458 H SER 60 H SER 60 12.614 0.082 -1.282 459 HA SER 60 HA SER 60 12.021 0.587 -3.928 460 1HB SER 60 1HB SER 60 14.090 -1.636 -3.589 461 2HB SER 60 2HB SER 60 12.877 -1.744 -4.839 462 HG SER 60 HG SER 60 13.697 0.037 -5.866 463 H VAL 61 H VAL 61 10.316 -0.824 -4.499 464 HA VAL 61 HA VAL 61 9.050 -2.337 -2.318 465 HB VAL 61 HB VAL 61 8.209 -1.801 -5.178 466 1HG1 VAL 61 1HG1 VAL 61 6.508 -2.882 -2.905 467 2HG1 VAL 61 2HG1 VAL 61 5.912 -2.369 -4.496 468 3HG1 VAL 61 3HG1 VAL 61 6.986 -3.748 -4.385 469 1HG2 VAL 61 1HG2 VAL 61 7.398 -0.396 -2.618 470 2HG2 VAL 61 2HG2 VAL 61 8.279 0.301 -3.980 471 3HG2 VAL 61 3HG2 VAL 61 6.582 -0.158 -4.164 472 H LEU 62 H LEU 62 8.475 -4.579 -2.752 473 HA LEU 62 HA LEU 62 10.354 -6.075 -4.506 474 1HB LEU 62 1HB LEU 62 9.849 -6.508 -1.558 475 2HB LEU 62 2HB LEU 62 10.806 -7.555 -2.591 476 HG LEU 62 HG LEU 62 11.700 -4.687 -2.434 477 1HD1 LEU 62 1HD1 LEU 62 11.888 -6.551 -0.056 478 2HD1 LEU 62 2HD1 LEU 62 12.827 -5.059 -0.267 479 3HD1 LEU 62 3HD1 LEU 62 11.070 -4.974 -0.152 480 1HD2 LEU 62 1HD2 LEU 62 13.142 -7.349 -2.315 481 2HD2 LEU 62 2HD2 LEU 62 12.956 -6.306 -3.741 482 3HD2 LEU 62 3HD2 LEU 62 13.895 -5.734 -2.363 483 HA PRO 63 HA PRO 63 5.832 -7.088 -4.714 484 1HB PRO 63 1HB PRO 63 5.722 -7.734 -7.391 485 2HB PRO 63 2HB PRO 63 5.608 -6.062 -6.765 486 1HG PRO 63 2HG PRO 63 7.443 -5.826 -8.223 487 2HG PRO 63 1HG PRO 63 8.046 -7.472 -7.847 488 1HD PRO 63 1HD PRO 63 9.425 -6.249 -6.410 489 2HD PRO 63 2HD PRO 63 8.201 -4.971 -6.159 490 H ASN 64 H ASN 64 4.891 -9.091 -4.734 491 HA ASN 64 HA ASN 64 4.704 -11.213 -4.147 492 1HB ASN 64 2HB ASN 64 4.931 -12.675 -5.889 493 2HB ASN 64 1HB ASN 64 6.505 -12.043 -6.372 494 2HD2 ASN 64 1HD2 ASN 64 5.514 -12.414 -8.560 495 1HD2 ASN 64 2HD2 ASN 64 4.874 -10.982 -9.278 496 H SER 65 H SER 65 7.113 -9.921 -2.814 497 HA SER 65 HA SER 65 9.265 -11.858 -3.189 498 1HB SER 65 1HB SER 65 9.524 -9.357 -3.134 499 2HB SER 65 2HB SER 65 9.188 -9.412 -1.391 500 HG SER 65 HG SER 65 11.379 -9.455 -1.712 501 H ASP 66 H ASP 66 10.033 -13.276 -1.675 502 HA ASP 66 HA ASP 66 8.302 -14.178 0.459 503 1HB ASP 66 1HB ASP 66 9.619 -15.842 -0.575 504 2HB ASP 66 2HB ASP 66 11.101 -14.913 -0.416 505 H LYS 67 H LYS 67 10.751 -11.705 0.306 506 HA LYS 67 HA LYS 67 11.864 -12.025 2.872 507 1HB LYS 67 1HB LYS 67 12.702 -10.541 1.011 508 2HB LYS 67 2HB LYS 67 11.482 -9.356 1.469 509 1HG LYS 67 1HG LYS 67 12.589 -8.704 3.366 510 2HG LYS 67 2HG LYS 67 13.163 -10.324 3.750 511 1HD LYS 67 1HD LYS 67 14.316 -8.604 1.535 512 2HD LYS 67 2HD LYS 67 15.005 -8.728 3.157 513 1HE LYS 67 1HE LYS 67 15.674 -10.962 2.897 514 2HE LYS 67 2HE LYS 67 14.468 -11.275 1.665 515 1HZ LYS 67 1HZ LYS 67 15.804 -9.692 0.239 516 2HZ LYS 67 2HZ LYS 67 17.030 -9.913 1.299 517 3HZ LYS 67 3HZ LYS 67 16.379 -11.209 0.500 518 H LYS 68 H LYS 68 11.188 -11.690 4.799 519 HA LYS 68 HA LYS 68 8.597 -11.022 5.566 520 1HB LYS 68 1HB LYS 68 9.552 -11.120 7.841 521 2HB LYS 68 2HB LYS 68 10.292 -12.350 6.848 522 1HG LYS 68 1HG LYS 68 12.035 -10.241 6.430 523 2HG LYS 68 2HG LYS 68 11.485 -9.877 8.050 524 1HD LYS 68 1HD LYS 68 12.259 -11.982 8.891 525 2HD LYS 68 2HD LYS 68 12.516 -12.643 7.276 526 1HE LYS 68 1HE LYS 68 14.082 -10.310 8.462 527 2HE LYS 68 2HE LYS 68 14.613 -11.991 8.435 528 1HZ LYS 68 1HZ LYS 68 14.313 -11.792 5.905 529 2HZ LYS 68 2HZ LYS 68 14.381 -10.154 6.178 530 3HZ LYS 68 3HZ LYS 68 15.614 -11.096 6.608 531 H ALA 69 H ALA 69 8.563 -9.369 7.508 532 HA ALA 69 HA ALA 69 9.226 -6.639 6.514 533 1HB ALA 69 1HB ALA 69 6.970 -7.243 5.673 534 2HB ALA 69 2HB ALA 69 6.453 -7.627 7.333 535 3HB ALA 69 3HB ALA 69 6.887 -5.969 6.897 536 H ASP 70 H ASP 70 8.519 -4.926 8.241 537 HA ASP 70 HA ASP 70 9.253 -5.878 10.941 538 1HB ASP 70 1HB ASP 70 9.174 -3.288 9.641 539 2HB ASP 70 2HB ASP 70 8.135 -3.267 11.069 540 H CYS 71 H CYS 71 6.376 -4.675 9.144 541 HA CYS 71 HA CYS 71 4.606 -6.292 10.821 542 1HB CYS 71 2HB CYS 71 3.082 -4.435 11.319 543 2HB CYS 71 1HB CYS 71 4.141 -3.298 10.490 544 HG CYS 71 HG CYS 71 4.979 -5.169 13.109 545 H THR 72 H THR 72 2.145 -5.580 9.865 546 HA THR 72 HA THR 72 2.315 -5.634 6.924 547 HB THR 72 HB THR 72 0.797 -7.746 8.499 548 HG1 THR 72 HG1 THR 72 2.545 -9.018 7.301 549 1HG2 THR 72 1HG2 THR 72 1.004 -7.057 5.578 550 2HG2 THR 72 2HG2 THR 72 1.107 -8.763 5.974 551 3HG2 THR 72 3HG2 THR 72 -0.300 -7.849 6.471 552 H ILE 73 H ILE 73 -0.457 -6.034 6.482 553 HA ILE 73 HA ILE 73 -1.893 -4.386 8.369 554 HB ILE 73 HB ILE 73 -0.623 -2.926 6.524 555 1HG1 ILE 73 1HG1 ILE 73 -3.485 -2.542 7.364 556 2HG1 ILE 73 2HG1 ILE 73 -2.063 -2.264 8.386 557 1HG2 ILE 73 1HG2 ILE 73 -1.671 -4.282 4.634 558 2HG2 ILE 73 2HG2 ILE 73 -3.224 -3.553 5.038 559 3HG2 ILE 73 3HG2 ILE 73 -1.888 -2.514 4.537 560 1HD1 ILE 73 1HD1 ILE 73 -1.250 -0.573 6.759 561 2HD1 ILE 73 2HD1 ILE 73 -2.733 -0.750 5.833 562 3HD1 ILE 73 3HD1 ILE 73 -2.816 -0.138 7.497 563 H THR 74 H THR 74 -4.354 -4.248 7.580 564 HA THR 74 HA THR 74 -4.994 -6.380 5.599 565 HB THR 74 HB THR 74 -6.699 -5.611 8.007 566 HG1 THR 74 HG1 THR 74 -5.995 -7.514 8.960 567 1HG2 THR 74 1HG2 THR 74 -6.641 -7.994 6.050 568 2HG2 THR 74 2HG2 THR 74 -7.819 -7.787 7.368 569 3HG2 THR 74 3HG2 THR 74 -7.809 -6.661 5.991 570 H MET 75 H MET 75 -5.771 -5.522 3.852 571 HA MET 75 HA MET 75 -7.938 -3.659 3.991 572 1HB MET 75 1HB MET 75 -5.271 -2.691 3.252 573 2HB MET 75 2HB MET 75 -6.362 -2.700 1.851 574 1HG MET 75 1HG MET 75 -7.855 -1.258 2.783 575 2HG MET 75 2HG MET 75 -7.205 -1.413 4.417 576 1HE MET 75 1HE MET 75 -4.546 -0.925 4.718 577 2HE MET 75 2HE MET 75 -4.215 0.823 4.590 578 3HE MET 75 3HE MET 75 -5.654 0.246 5.461 579 H ALA 76 H ALA 76 -9.289 -4.790 2.853 580 HA ALA 76 HA ALA 76 -8.642 -7.020 1.159 581 1HB ALA 76 1HB ALA 76 -10.949 -6.428 2.116 582 2HB ALA 76 2HB ALA 76 -11.091 -5.253 0.796 583 3HB ALA 76 3HB ALA 76 -10.903 -6.969 0.422 584 H ASP 77 H ASP 77 -8.932 -7.095 -1.232 585 HA ASP 77 HA ASP 77 -7.330 -5.266 -2.699 586 1HB ASP 77 1HB ASP 77 -8.113 -7.644 -3.266 587 2HB ASP 77 2HB ASP 77 -9.628 -6.931 -3.729 588 H SER 78 H SER 78 -10.809 -5.669 -2.566 589 HA SER 78 HA SER 78 -11.452 -3.292 -4.105 590 1HB SER 78 1HB SER 78 -13.266 -4.874 -2.242 591 2HB SER 78 2HB SER 78 -13.769 -3.767 -3.537 592 HG SER 78 HG SER 78 -12.437 -5.177 -4.942 593 H ASP 79 H ASP 79 -10.075 -3.416 -1.212 594 HA ASP 79 HA ASP 79 -11.299 -0.915 -0.147 595 1HB ASP 79 1HB ASP 79 -10.723 -3.142 1.273 596 2HB ASP 79 2HB ASP 79 -9.163 -2.349 1.385 597 H PHE 80 H PHE 80 -8.022 -2.404 -0.701 598 HA PHE 80 HA PHE 80 -6.523 -0.004 -0.729 599 1HB PHE 80 1HB PHE 80 -6.110 -2.717 -2.029 600 2HB PHE 80 2HB PHE 80 -5.005 -1.406 -2.337 601 HD1 PHE 80 HD1 PHE 80 -4.069 -0.142 -0.117 602 HD2 PHE 80 HD2 PHE 80 -5.433 -4.208 -0.364 603 HE1 PHE 80 HE1 PHE 80 -2.495 -0.787 1.695 604 HE2 PHE 80 HE2 PHE 80 -3.931 -4.827 1.510 605 HZ PHE 80 HZ PHE 80 -2.389 -3.179 2.464 606 H LEU 81 H LEU 81 -8.157 -1.684 -3.491 607 HA LEU 81 HA LEU 81 -6.996 -0.008 -5.483 608 1HB LEU 81 1HB LEU 81 -8.896 -2.277 -5.273 609 2HB LEU 81 2HB LEU 81 -9.478 -1.109 -6.376 610 HG LEU 81 HG LEU 81 -8.143 -2.938 -7.381 611 1HD1 LEU 81 1HD1 LEU 81 -7.152 -0.108 -7.827 612 2HD1 LEU 81 2HD1 LEU 81 -6.589 -1.504 -8.786 613 3HD1 LEU 81 3HD1 LEU 81 -8.309 -1.098 -8.764 614 1HD2 LEU 81 1HD2 LEU 81 -5.880 -1.795 -5.698 615 2HD2 LEU 81 2HD2 LEU 81 -6.504 -3.448 -5.793 616 3HD2 LEU 81 3HD2 LEU 81 -5.626 -2.716 -7.144 617 H ALA 82 H ALA 82 -10.065 0.027 -3.744 618 HA ALA 82 HA ALA 82 -11.241 2.153 -5.294 619 1HB ALA 82 3HB ALA 82 -12.971 2.071 -3.539 620 2HB ALA 82 1HB ALA 82 -12.543 0.440 -4.060 621 3HB ALA 82 2HB ALA 82 -11.911 1.070 -2.520 622 H LEU 83 H LEU 83 -9.189 2.042 -2.476 623 HA LEU 83 HA LEU 83 -9.564 4.552 -1.283 624 1HB LEU 83 1HB LEU 83 -8.297 2.924 -0.168 625 2HB LEU 83 2HB LEU 83 -7.254 2.632 -1.536 626 HG LEU 83 HG LEU 83 -5.994 4.663 -1.171 627 1HD1 LEU 83 1HD1 LEU 83 -7.947 5.220 1.085 628 2HD1 LEU 83 2HD1 LEU 83 -6.399 6.067 0.842 629 3HD1 LEU 83 3HD1 LEU 83 -7.688 6.214 -0.352 630 1HD2 LEU 83 1HD2 LEU 83 -6.455 2.998 1.320 631 2HD2 LEU 83 2HD2 LEU 83 -5.347 2.645 -0.006 632 3HD2 LEU 83 3HD2 LEU 83 -5.035 4.050 1.028 633 H MET 84 H MET 84 -6.709 3.885 -3.401 634 HA MET 84 HA MET 84 -6.519 6.753 -3.932 635 1HB MET 84 1HB MET 84 -4.485 6.127 -5.089 636 2HB MET 84 2HB MET 84 -4.530 5.496 -3.444 637 1HG MET 84 1HG MET 84 -4.647 3.291 -4.147 638 2HG MET 84 2HG MET 84 -5.420 3.709 -5.678 639 1HE MET 84 1HE MET 84 -2.160 3.718 -3.607 640 2HE MET 84 2HE MET 84 -0.920 3.508 -4.865 641 3HE MET 84 3HE MET 84 -1.479 5.119 -4.477 642 H THR 85 H THR 85 -8.942 5.949 -4.914 643 HA THR 85 HA THR 85 -8.645 6.928 -7.663 644 HB THR 85 HB THR 85 -10.298 5.322 -8.572 645 HG1 THR 85 HG1 THR 85 -11.146 4.634 -6.528 646 1HG2 THR 85 1HG2 THR 85 -7.861 4.891 -8.904 647 2HG2 THR 85 2HG2 THR 85 -7.902 3.784 -7.516 648 3HG2 THR 85 3HG2 THR 85 -8.872 3.445 -8.957 649 H GLY 86 H GLY 86 -9.643 7.714 -4.809 650 1HA GLY 86 1HA GLY 86 -11.263 9.017 -3.930 651 2HA GLY 86 2HA GLY 86 -11.839 9.318 -5.573 652 H LYS 87 H LYS 87 -11.941 5.948 -4.966 653 HA LYS 87 HA LYS 87 -14.870 6.184 -5.046 654 1HB LYS 87 1HB LYS 87 -13.467 4.670 -6.545 655 2HB LYS 87 2HB LYS 87 -13.242 3.604 -5.160 656 1HG LYS 87 1HG LYS 87 -15.991 4.526 -6.035 657 2HG LYS 87 2HG LYS 87 -15.199 3.234 -6.910 658 1HD LYS 87 1HD LYS 87 -15.414 1.692 -5.201 659 2HD LYS 87 2HD LYS 87 -15.436 2.901 -3.921 660 1HE LYS 87 1HE LYS 87 -17.655 3.689 -4.694 661 2HE LYS 87 2HE LYS 87 -17.667 2.441 -5.942 662 1HZ LYS 87 1HZ LYS 87 -17.602 1.932 -3.015 663 2HZ LYS 87 2HZ LYS 87 -18.912 1.869 -3.928 664 3HZ LYS 87 3HZ LYS 87 -17.721 0.769 -4.196 665 H MET 88 H MET 88 -12.355 5.211 -2.788 666 HA MET 88 HA MET 88 -14.413 5.125 -0.632 667 1HB MET 88 1HB MET 88 -11.796 3.610 -0.917 668 2HB MET 88 2HB MET 88 -12.568 3.856 0.649 669 1HG MET 88 1HG MET 88 -13.964 2.513 -1.682 670 2HG MET 88 2HG MET 88 -13.039 1.668 -0.442 671 1HE MET 88 1HE MET 88 -15.153 0.203 -0.418 672 2HE MET 88 2HE MET 88 -14.358 0.308 1.162 673 3HE MET 88 3HE MET 88 -16.128 0.371 1.064 674 H ASN 89 H ASN 89 -13.074 5.741 1.507 675 HA ASN 89 HA ASN 89 -11.821 8.356 0.951 676 1HB ASN 89 1HB ASN 89 -12.386 8.850 3.311 677 2HB ASN 89 2HB ASN 89 -13.800 8.478 2.336 678 2HD2 ASN 89 1HD2 ASN 89 -12.408 7.869 5.329 679 1HD2 ASN 89 2HD2 ASN 89 -13.269 6.371 5.670 680 HA PRO 90 HA PRO 90 -7.948 6.802 2.596 681 1HB PRO 90 1HB PRO 90 -6.817 9.026 3.693 682 2HB PRO 90 2HB PRO 90 -7.016 8.826 1.926 683 1HG PRO 90 2HG PRO 90 -8.154 10.906 2.305 684 2HG PRO 90 1HG PRO 90 -8.865 10.306 3.830 685 1HD PRO 90 1HD PRO 90 -10.650 9.869 2.369 686 2HD PRO 90 2HD PRO 90 -9.563 9.519 0.999 687 H GLN 91 H GLN 91 -6.797 6.599 4.737 688 HA GLN 91 HA GLN 91 -6.946 5.399 6.547 689 1HB GLN 91 1HB GLN 91 -8.499 7.806 7.358 690 2HB GLN 91 2HB GLN 91 -8.697 6.404 8.366 691 1HG GLN 91 1HG GLN 91 -5.860 6.832 7.793 692 2HG GLN 91 2HG GLN 91 -6.603 8.280 8.464 693 2HE2 GLN 91 1HE2 GLN 91 -7.757 8.079 10.526 694 1HE2 GLN 91 2HE2 GLN 91 -7.245 6.869 11.680 695 H SER 92 H SER 92 -7.831 4.076 4.761 696 HA SER 92 HA SER 92 -10.617 3.416 4.743 697 1HB SER 92 2HB SER 92 -10.050 1.807 3.155 698 2HB SER 92 1HB SER 92 -8.363 1.709 3.663 699 HG SER 92 HG SER 92 -9.589 4.066 2.593 700 H ALA 93 H ALA 93 -7.651 1.582 6.189 701 HA ALA 93 HA ALA 93 -9.086 -0.427 7.391 702 1HB ALA 93 1HB ALA 93 -6.548 1.090 7.908 703 2HB ALA 93 3HB ALA 93 -6.820 -0.616 7.555 704 3HB ALA 93 2HB ALA 93 -7.206 0.066 9.165 705 H PHE 94 H PHE 94 -8.925 2.958 8.455 706 HA PHE 94 HA PHE 94 -10.145 2.519 11.004 707 1HB PHE 94 1HB PHE 94 -8.841 4.523 10.266 708 2HB PHE 94 2HB PHE 94 -10.188 4.960 9.234 709 HD1 PHE 94 HD1 PHE 94 -10.282 3.785 12.841 710 HD2 PHE 94 HD2 PHE 94 -10.797 7.031 10.035 711 HE1 PHE 94 HE1 PHE 94 -11.133 5.236 14.642 712 HE2 PHE 94 HE2 PHE 94 -11.599 8.475 11.851 713 HZ PHE 94 HZ PHE 94 -11.771 7.576 14.186 714 H PHE 95 H PHE 95 -11.484 3.510 7.807 715 HA PHE 95 HA PHE 95 -14.235 3.479 8.463 716 1HB PHE 95 1HB PHE 95 -13.324 4.590 6.515 717 2HB PHE 95 2HB PHE 95 -12.765 3.081 5.839 718 HD1 PHE 95 HD1 PHE 95 -15.895 4.891 6.855 719 HD2 PHE 95 HD2 PHE 95 -14.150 1.823 4.383 720 HE1 PHE 95 HE1 PHE 95 -17.984 4.734 5.541 721 HE2 PHE 95 HE2 PHE 95 -16.232 1.685 3.072 722 HZ PHE 95 HZ PHE 95 -18.159 3.181 3.622 723 H GLN 96 H GLN 96 -12.521 0.831 6.534 724 HA GLN 96 HA GLN 96 -14.770 -0.819 6.707 725 1HB GLN 96 1HB GLN 96 -13.091 -2.621 6.024 726 2HB GLN 96 2HB GLN 96 -13.356 -1.279 4.928 727 1HG GLN 96 1HG GLN 96 -11.270 -0.444 5.180 728 2HG GLN 96 2HG GLN 96 -11.119 -0.998 6.855 729 2HE2 GLN 96 1HE2 GLN 96 -8.931 -1.293 5.881 730 1HE2 GLN 96 2HE2 GLN 96 -8.521 -2.960 5.573 731 H GLY 97 H GLY 97 -12.446 -0.260 9.255 732 1HA GLY 97 1HA GLY 97 -12.488 -1.085 11.408 733 2HA GLY 97 2HA GLY 97 -14.004 -1.885 11.005 734 H LYS 98 H LYS 98 -11.726 -2.946 8.877 735 HA LYS 98 HA LYS 98 -11.712 -5.636 9.766 736 1HB LYS 98 1HB LYS 98 -10.541 -4.024 7.516 737 2HB LYS 98 2HB LYS 98 -9.957 -5.646 7.670 738 1HG LYS 98 1HG LYS 98 -12.924 -5.373 7.866 739 2HG LYS 98 2HG LYS 98 -12.249 -4.933 6.309 740 1HD LYS 98 1HD LYS 98 -11.078 -7.146 6.206 741 2HD LYS 98 2HD LYS 98 -11.915 -7.614 7.698 742 1HE LYS 98 2HE LYS 98 -13.077 -8.505 5.710 743 2HE LYS 98 1HE LYS 98 -13.202 -6.877 5.033 744 1HZ LYS 98 1HZ LYS 98 -14.501 -7.661 7.585 745 2HZ LYS 98 2HZ LYS 98 -14.630 -6.247 6.803 746 3HZ LYS 98 3HZ LYS 98 -15.257 -7.555 6.125 747 H LEU 99 H LEU 99 -10.344 -3.828 11.663 748 HA LEU 99 HA LEU 99 -8.448 -3.572 12.887 749 1HB LEU 99 1HB LEU 99 -9.634 -5.405 13.860 750 2HB LEU 99 2HB LEU 99 -8.815 -6.571 12.815 751 HG LEU 99 HG LEU 99 -6.700 -6.241 13.925 752 1HD1 LEU 99 1HD1 LEU 99 -8.001 -3.916 15.406 753 2HD1 LEU 99 2HD1 LEU 99 -6.449 -4.658 15.859 754 3HD1 LEU 99 3HD1 LEU 99 -6.597 -3.849 14.299 755 1HD2 LEU 99 1HD2 LEU 99 -8.416 -7.644 15.053 756 2HD2 LEU 99 2HD2 LEU 99 -7.237 -6.927 16.159 757 3HD2 LEU 99 3HD2 LEU 99 -8.882 -6.244 16.034 758 H LYS 100 H LYS 100 -7.198 -2.609 11.219 759 HA LYS 100 HA LYS 100 -5.483 -4.103 9.517 760 1HB LYS 100 2HB LYS 100 -6.378 -1.805 9.383 761 2HB LYS 100 1HB LYS 100 -4.850 -1.883 8.744 762 1HG LYS 100 1HG LYS 100 -3.869 -0.876 10.849 763 2HG LYS 100 2HG LYS 100 -4.914 0.156 9.952 764 1HD LYS 100 1HD LYS 100 -6.747 -0.156 11.584 765 2HD LYS 100 2HD LYS 100 -5.781 -1.343 12.478 766 1HE LYS 100 1HE LYS 100 -4.004 0.453 12.781 767 2HE LYS 100 2HE LYS 100 -5.181 1.613 12.141 768 1HZ LYS 100 1HZ LYS 100 -6.670 0.879 13.972 769 2HZ LYS 100 2HZ LYS 100 -5.447 0.012 14.614 770 3HZ LYS 100 3HZ LYS 100 -5.322 1.634 14.493 771 H ILE 101 H ILE 101 -3.246 -4.529 9.804 772 HA ILE 101 HA ILE 101 -2.337 -4.763 12.593 773 HB ILE 101 HB ILE 101 -1.265 -5.614 9.895 774 1HG1 ILE 101 2HG1 ILE 101 -1.433 -7.882 10.820 775 2HG1 ILE 101 1HG1 ILE 101 -2.972 -7.073 10.601 776 1HG2 ILE 101 1HG2 ILE 101 0.205 -5.941 12.493 777 2HG2 ILE 101 2HG2 ILE 101 0.606 -6.720 10.938 778 3HG2 ILE 101 3HG2 ILE 101 0.681 -4.958 11.085 779 1HD1 ILE 101 1HD1 ILE 101 -1.563 -7.326 13.296 780 2HD1 ILE 101 2HD1 ILE 101 -3.217 -6.735 12.981 781 3HD1 ILE 101 3HD1 ILE 101 -2.818 -8.423 12.694 782 H THR 102 H THR 102 -0.060 -3.853 13.061 783 HA THR 102 HA THR 102 -0.363 -0.957 12.624 784 HB THR 102 HB THR 102 1.288 -0.785 14.455 785 HG1 THR 102 HG1 THR 102 2.475 -2.413 14.870 786 1HG2 THR 102 1HG2 THR 102 -1.126 -0.908 14.977 787 2HG2 THR 102 2HG2 THR 102 -1.006 -2.673 15.147 788 3HG2 THR 102 3HG2 THR 102 -0.125 -1.599 16.255 789 H GLY 103 H GLY 103 2.266 -0.016 12.775 790 1HA GLY 103 1HA GLY 103 4.255 -1.334 11.483 791 2HA GLY 103 2HA GLY 103 3.289 -0.683 10.142 792 H ASN 104 H ASN 104 2.485 1.827 10.984 793 HA ASN 104 HA ASN 104 4.878 3.195 11.992 794 1HB ASN 104 1HB ASN 104 4.005 3.331 9.094 795 2HB ASN 104 2HB ASN 104 4.759 4.730 9.861 796 2HD2 ASN 104 1HD2 ASN 104 5.338 1.525 8.560 797 1HD2 ASN 104 2HD2 ASN 104 6.990 1.393 9.153 798 H MET 105 H MET 105 4.554 5.324 12.509 799 HA MET 105 HA MET 105 2.293 5.582 14.080 800 1HB MET 105 1HB MET 105 4.324 7.624 13.134 801 2HB MET 105 2HB MET 105 3.173 7.968 14.419 802 1HG MET 105 1HG MET 105 5.012 5.563 14.632 803 2HG MET 105 2HG MET 105 5.592 7.184 14.973 804 1HE MET 105 1HE MET 105 3.850 4.091 16.325 805 2HE MET 105 2HE MET 105 2.928 4.664 17.731 806 3HE MET 105 3HE MET 105 2.300 4.947 16.102 807 H GLY 106 H GLY 106 2.985 8.025 11.526 808 1HA GLY 106 1HA GLY 106 0.046 8.298 11.075 809 2HA GLY 106 2HA GLY 106 1.213 9.618 11.121 810 H LEU 107 H LEU 107 1.992 6.561 9.463 811 HA LEU 107 HA LEU 107 2.557 8.007 7.044 812 1HB LEU 107 1HB LEU 107 3.299 6.099 6.073 813 2HB LEU 107 2HB LEU 107 3.697 5.892 7.752 814 HG LEU 107 HG LEU 107 3.152 3.823 6.955 815 1HD1 LEU 107 1HD1 LEU 107 1.891 4.491 9.110 816 2HD1 LEU 107 2HD1 LEU 107 0.426 4.291 8.133 817 3HD1 LEU 107 3HD1 LEU 107 1.554 2.943 8.342 818 1HD2 LEU 107 1HD2 LEU 107 2.047 4.416 4.849 819 2HD2 LEU 107 2HD2 LEU 107 1.272 3.074 5.701 820 3HD2 LEU 107 3HD2 LEU 107 0.515 4.660 5.720 821 H ALA 108 H ALA 108 -0.245 6.255 8.246 822 HA ALA 108 HA ALA 108 -1.731 6.395 5.756 823 1HB ALA 108 3HB ALA 108 -3.515 5.395 7.102 824 2HB ALA 108 2HB ALA 108 -2.647 5.759 8.600 825 3HB ALA 108 1HB ALA 108 -1.991 4.576 7.445 826 H MET 109 H MET 109 -0.841 8.849 7.772 827 HA MET 109 HA MET 109 -3.416 10.324 7.519 828 1HB MET 109 1HB MET 109 -2.430 9.990 9.795 829 2HB MET 109 2HB MET 109 -1.032 10.922 9.285 830 1HG MET 109 1HG MET 109 -2.361 12.907 9.009 831 2HG MET 109 2HG MET 109 -3.861 12.002 9.183 832 1HE MET 109 1HE MET 109 -0.833 11.088 11.571 833 2HE MET 109 2HE MET 109 -0.448 12.805 11.261 834 3HE MET 109 3HE MET 109 -1.006 12.274 12.859 835 H LYS 110 H LYS 110 0.092 10.481 6.701 836 HA LYS 110 HA LYS 110 -0.375 12.987 5.214 837 1HB LYS 110 1HB LYS 110 2.015 11.591 6.203 838 2HB LYS 110 2HB LYS 110 2.146 12.056 4.501 839 1HG LYS 110 1HG LYS 110 1.347 14.356 5.102 840 2HG LYS 110 2HG LYS 110 1.375 13.898 6.809 841 1HD LYS 110 1HD LYS 110 3.783 13.669 6.764 842 2HD LYS 110 2HD LYS 110 3.791 13.761 4.990 843 1HE LYS 110 2HE LYS 110 2.762 16.067 5.191 844 2HE LYS 110 1HE LYS 110 4.458 15.915 5.625 845 1HZ LYS 110 1HZ LYS 110 2.392 15.797 7.725 846 2HZ LYS 110 2HZ LYS 110 3.992 16.158 7.845 847 3HZ LYS 110 3HZ LYS 110 2.994 17.230 7.147 848 H LEU 111 H LEU 111 0.639 9.715 4.406 849 HA LEU 111 HA LEU 111 0.809 8.551 2.567 850 1HB LEU 111 2HB LEU 111 -1.297 7.875 3.524 851 2HB LEU 111 1HB LEU 111 -1.248 7.661 1.803 852 HG LEU 111 HG LEU 111 -2.576 9.953 1.728 853 1HD1 LEU 111 1HD1 LEU 111 -3.375 7.634 1.110 854 2HD1 LEU 111 2HD1 LEU 111 -3.975 7.447 2.754 855 3HD1 LEU 111 3HD1 LEU 111 -4.638 8.715 1.693 856 1HD2 LEU 111 1HD2 LEU 111 -3.276 8.964 4.519 857 2HD2 LEU 111 2HD2 LEU 111 -2.604 10.554 4.124 858 3HD2 LEU 111 3HD2 LEU 111 -4.217 10.145 3.597 859 H GLN 112 H GLN 112 1.043 11.542 1.713 860 HA GLN 112 HA GLN 112 -0.573 12.425 -0.112 861 1HB GLN 112 1HB GLN 112 2.378 12.838 0.329 862 2HB GLN 112 2HB GLN 112 1.757 13.407 -1.199 863 1HG GLN 112 1HG GLN 112 1.557 15.287 0.009 864 2HG GLN 112 2HG GLN 112 -0.091 14.645 0.056 865 2HE2 GLN 112 1HE2 GLN 112 -0.783 15.443 2.040 866 1HE2 GLN 112 2HE2 GLN 112 0.032 15.190 3.574 867 H ASN 113 H ASN 113 2.326 11.752 -2.024 868 HA ASN 113 HA ASN 113 1.096 10.476 -4.190 869 1HB ASN 113 1HB ASN 113 3.969 10.272 -3.155 870 2HB ASN 113 2HB ASN 113 3.463 9.976 -4.811 871 2HD2 ASN 113 1HD2 ASN 113 3.870 11.669 -6.196 872 1HD2 ASN 113 2HD2 ASN 113 4.052 13.327 -5.696 873 H LEU 114 H LEU 114 1.454 9.025 -1.160 874 HA LEU 114 HA LEU 114 1.992 6.333 -2.228 875 1HB LEU 114 1HB LEU 114 1.543 7.465 0.527 876 2HB LEU 114 2HB LEU 114 0.978 5.837 0.202 877 HG LEU 114 HG LEU 114 3.386 5.427 -0.769 878 1HD1 LEU 114 1HD1 LEU 114 4.202 7.786 -0.594 879 2HD1 LEU 114 2HD1 LEU 114 4.020 7.722 1.168 880 3HD1 LEU 114 3HD1 LEU 114 5.193 6.677 0.344 881 1HD2 LEU 114 1HD2 LEU 114 2.406 4.308 1.177 882 2HD2 LEU 114 2HD2 LEU 114 4.111 4.668 1.438 883 3HD2 LEU 114 3HD2 LEU 114 2.864 5.671 2.212 884 H GLN 115 H GLN 115 -0.659 8.507 -2.295 885 HA GLN 115 HA GLN 115 -2.396 6.227 -3.020 886 1HB GLN 115 2HB GLN 115 -3.243 7.134 -0.930 887 2HB GLN 115 1HB GLN 115 -4.358 7.509 -2.218 888 1HG GLN 115 1HG GLN 115 -2.685 9.357 -0.572 889 2HG GLN 115 2HG GLN 115 -2.756 9.732 -2.282 890 2HE2 GLN 115 1HE2 GLN 115 -3.715 11.709 -1.901 891 1HE2 GLN 115 2HE2 GLN 115 -5.422 11.830 -1.592 892 H LEU 116 H LEU 116 -0.835 7.117 -5.082 893 HA LEU 116 HA LEU 116 -0.874 8.231 -7.039 894 1HB LEU 116 1HB LEU 116 -3.769 7.401 -6.742 895 2HB LEU 116 2HB LEU 116 -3.352 8.344 -8.156 896 HG LEU 116 HG LEU 116 -1.844 5.833 -7.330 897 1HD1 LEU 116 1HD1 LEU 116 -4.272 5.308 -7.991 898 2HD1 LEU 116 2HD1 LEU 116 -3.927 6.020 -9.611 899 3HD1 LEU 116 3HD1 LEU 116 -3.045 4.571 -9.033 900 1HD2 LEU 116 1HD2 LEU 116 -1.532 7.827 -9.514 901 2HD2 LEU 116 2HD2 LEU 116 -0.380 6.697 -8.722 902 3HD2 LEU 116 3HD2 LEU 116 -1.473 6.129 -9.989 903 H GLN 117 H GLN 117 -2.291 10.080 -8.361 904 HA GLN 117 HA GLN 117 -2.615 12.376 -6.610 905 1HB GLN 117 2HB GLN 117 -1.230 13.536 -7.856 906 2HB GLN 117 1HB GLN 117 -1.492 12.686 -9.368 907 1HG GLN 117 1HG GLN 117 0.164 11.423 -7.126 908 2HG GLN 117 2HG GLN 117 0.170 11.059 -8.868 909 2HE2 GLN 117 1HE2 GLN 117 1.348 13.147 -6.269 910 1HE2 GLN 117 2HE2 GLN 117 2.549 13.957 -7.300 911 HA PRO 118 HA PRO 118 -6.443 12.046 -8.957 912 1HB PRO 118 1HB PRO 118 -7.752 14.284 -8.088 913 2HB PRO 118 2HB PRO 118 -7.545 12.822 -7.092 914 1HG PRO 118 2HG PRO 118 -6.563 14.430 -5.667 915 2HG PRO 118 1HG PRO 118 -5.919 15.366 -7.047 916 1HD PRO 118 1HD PRO 118 -3.970 14.207 -6.552 917 2HD PRO 118 2HD PRO 118 -4.851 12.833 -5.828 918 H GLY 119 H GLY 119 -7.694 13.555 -10.529 919 1HA GLY 119 1HA GLY 119 -5.696 15.079 -12.141 920 2HA GLY 119 2HA GLY 119 -6.887 13.943 -12.777 921 H ASN 120 H ASN 120 -7.385 15.753 -14.142 922 HA ASN 120 HA ASN 120 -8.762 18.059 -13.046 923 1HB ASN 120 1HB ASN 120 -7.353 18.074 -15.151 924 2HB ASN 120 2HB ASN 120 -8.595 17.114 -15.945 925 2HD2 ASN 120 1HD2 ASN 120 -8.348 20.041 -13.858 926 1HD2 ASN 120 2HD2 ASN 120 -9.568 20.985 -14.684 927 H ALA 121 H ALA 121 -10.095 16.446 -11.817 928 HA ALA 121 HA ALA 121 -11.743 14.555 -12.942 929 1HB ALA 121 1HB ALA 121 -11.072 14.703 -10.553 930 2HB ALA 121 2HB ALA 121 -12.155 16.095 -10.334 931 3HB ALA 121 3HB ALA 121 -12.825 14.501 -10.723 932 H LYS 122 H LYS 122 -14.022 14.311 -13.168 933 HA LYS 122 HA LYS 122 -15.840 16.506 -12.894 934 1HB LYS 122 1HB LYS 122 -16.624 16.179 -15.320 935 2HB LYS 122 2HB LYS 122 -15.241 17.222 -14.993 936 1HG LYS 122 1HG LYS 122 -13.683 15.476 -15.757 937 2HG LYS 122 2HG LYS 122 -15.045 14.381 -16.072 938 1HD LYS 122 1HD LYS 122 -15.921 15.918 -17.772 939 2HD LYS 122 2HD LYS 122 -14.653 17.108 -17.379 940 1HE LYS 122 1HE LYS 122 -12.909 15.479 -18.050 941 2HE LYS 122 2HE LYS 122 -14.164 14.301 -18.457 942 1HZ LYS 122 1HZ LYS 122 -13.973 16.948 -19.754 943 2HZ LYS 122 2HZ LYS 122 -13.308 15.572 -20.364 944 3HZ LYS 122 3HZ LYS 122 -14.942 15.702 -20.183 945 H LEU 123 H LEU 123 -17.635 15.651 -12.192 946 HA LEU 123 HA LEU 123 -19.310 14.313 -11.644 947 1HB LEU 123 1HB LEU 123 -18.811 13.434 -14.495 948 2HB LEU 123 2HB LEU 123 -20.053 12.666 -13.540 949 HG LEU 123 HG LEU 123 -20.916 14.448 -14.996 950 1HD1 LEU 123 1HD1 LEU 123 -22.098 13.779 -12.924 951 2HD1 LEU 123 2HD1 LEU 123 -21.317 15.107 -12.050 952 3HD1 LEU 123 3HD1 LEU 123 -22.425 15.454 -13.398 953 1HD2 LEU 123 1HD2 LEU 123 -19.035 16.068 -14.834 954 2HD2 LEU 123 2HD2 LEU 123 -20.624 16.793 -14.534 955 3HD2 LEU 123 3HD2 LEU 123 -19.549 16.458 -13.174 No H/Q in entry = 955 Start of MODEL 14 1 H SER 1 H SER 1 -1.352 -16.684 3.777 2 HA SER 1 HA SER 1 -0.944 -14.068 2.688 3 1HB SER 1 1HB SER 1 0.747 -16.596 2.401 4 2HB SER 1 2HB SER 1 1.295 -14.931 2.156 5 HG SER 1 HG SER 1 1.868 -15.579 4.188 6 H SER 2 H SER 2 -1.118 -17.307 1.190 7 HA SER 2 HA SER 2 -1.600 -18.155 -0.737 8 1HB SER 2 1HB SER 2 -3.667 -16.649 -0.346 9 2HB SER 2 2HB SER 2 -3.025 -15.692 -1.685 10 HG SER 2 HG SER 2 -3.048 -17.664 -2.952 11 H ALA 3 H ALA 3 -0.811 -14.737 -1.577 12 HA ALA 3 HA ALA 3 0.513 -13.793 -3.112 13 1HB ALA 3 1HB ALA 3 2.391 -15.007 -2.109 14 2HB ALA 3 3HB ALA 3 2.567 -14.824 -3.865 15 3HB ALA 3 2HB ALA 3 2.090 -16.387 -3.189 16 H SER 4 H SER 4 -0.489 -13.296 -4.957 17 HA SER 4 HA SER 4 -1.102 -15.374 -6.960 18 1HB SER 4 2HB SER 4 -3.358 -14.517 -7.110 19 2HB SER 4 1HB SER 4 -3.075 -13.368 -5.801 20 HG SER 4 HG SER 4 -3.178 -14.854 -4.363 21 H ASP 5 H ASP 5 -1.085 -11.929 -5.982 22 HA ASP 5 HA ASP 5 -0.239 -10.040 -7.114 23 1HB ASP 5 2HB ASP 5 2.015 -10.486 -7.435 24 2HB ASP 5 1HB ASP 5 1.708 -12.159 -7.911 25 H GLY 6 H GLY 6 -2.313 -11.281 -8.742 26 1HA GLY 6 1HA GLY 6 -1.632 -9.847 -11.233 27 2HA GLY 6 2HA GLY 6 -2.073 -11.562 -11.334 28 H PHE 7 H PHE 7 -3.287 -9.069 -9.106 29 HA PHE 7 HA PHE 7 -6.105 -9.448 -10.015 30 1HB PHE 7 2HB PHE 7 -6.725 -8.202 -8.079 31 2HB PHE 7 1HB PHE 7 -5.053 -7.738 -7.749 32 HD1 PHE 7 HD1 PHE 7 -5.701 -11.278 -8.675 33 HD2 PHE 7 HD2 PHE 7 -5.414 -8.451 -5.416 34 HE1 PHE 7 HE1 PHE 7 -5.316 -13.119 -7.121 35 HE2 PHE 7 HE2 PHE 7 -5.134 -10.323 -3.841 36 HZ PHE 7 HZ PHE 7 -5.101 -12.675 -4.675 37 H LYS 8 H LYS 8 -7.230 -7.022 -9.983 38 HA LYS 8 HA LYS 8 -5.814 -5.635 -12.120 39 1HB LYS 8 1HB LYS 8 -8.360 -5.784 -11.806 40 2HB LYS 8 2HB LYS 8 -8.182 -4.469 -10.623 41 1HG LYS 8 1HG LYS 8 -7.288 -2.988 -12.316 42 2HG LYS 8 2HG LYS 8 -6.972 -4.322 -13.416 43 1HD LYS 8 1HD LYS 8 -9.361 -4.704 -13.762 44 2HD LYS 8 2HD LYS 8 -9.769 -3.452 -12.590 45 1HE LYS 8 1HE LYS 8 -9.998 -2.688 -14.930 46 2HE LYS 8 2HE LYS 8 -8.820 -1.712 -14.038 47 1HZ LYS 8 1HZ LYS 8 -7.899 -4.010 -15.617 48 2HZ LYS 8 2HZ LYS 8 -8.253 -2.619 -16.392 49 3HZ LYS 8 3HZ LYS 8 -7.088 -2.621 -15.237 50 H ALA 9 H ALA 9 -5.867 -5.351 -8.605 51 HA ALA 9 HA ALA 9 -4.548 -2.914 -8.340 52 1HB ALA 9 3HB ALA 9 -3.738 -3.829 -6.188 53 2HB ALA 9 2HB ALA 9 -4.240 -5.453 -6.692 54 3HB ALA 9 1HB ALA 9 -5.453 -4.163 -6.450 55 H ASN 10 H ASN 10 -3.263 -5.523 -10.152 56 HA ASN 10 HA ASN 10 -0.612 -5.638 -9.231 57 1HB ASN 10 1HB ASN 10 -1.697 -7.225 -10.855 58 2HB ASN 10 2HB ASN 10 -1.529 -5.996 -12.115 59 2HD2 ASN 10 1HD2 ASN 10 0.107 -8.507 -10.290 60 1HD2 ASN 10 2HD2 ASN 10 1.703 -8.166 -10.772 61 H LEU 11 H LEU 11 -1.970 -3.480 -11.762 62 HA LEU 11 HA LEU 11 0.516 -2.040 -12.175 63 1HB LEU 11 2HB LEU 11 -1.600 -2.462 -13.698 64 2HB LEU 11 1HB LEU 11 -0.396 -1.242 -13.903 65 HG LEU 11 HG LEU 11 -2.537 -0.402 -14.360 66 1HD1 LEU 11 1HD1 LEU 11 -4.011 -1.720 -12.999 67 2HD1 LEU 11 2HD1 LEU 11 -3.405 -0.982 -11.513 68 3HD1 LEU 11 3HD1 LEU 11 -4.279 0.002 -12.686 69 1HD2 LEU 11 1HD2 LEU 11 -0.677 0.949 -13.220 70 2HD2 LEU 11 2HD2 LEU 11 -2.288 1.674 -13.384 71 3HD2 LEU 11 3HD2 LEU 11 -1.765 1.026 -11.826 72 H VAL 12 H VAL 12 -2.167 -1.639 -9.963 73 HA VAL 12 HA VAL 12 -1.652 0.967 -9.058 74 HB VAL 12 HB VAL 12 -3.123 -1.459 -8.119 75 1HG1 VAL 12 1HG1 VAL 12 -2.512 0.765 -6.190 76 2HG1 VAL 12 2HG1 VAL 12 -3.783 -0.471 -5.970 77 3HG1 VAL 12 3HG1 VAL 12 -2.094 -0.960 -5.965 78 1HG2 VAL 12 1HG2 VAL 12 -4.196 0.246 -9.481 79 2HG2 VAL 12 2HG2 VAL 12 -4.938 0.159 -7.857 80 3HG2 VAL 12 3HG2 VAL 12 -3.792 1.462 -8.244 81 H PHE 13 H PHE 13 -0.428 -2.191 -7.722 82 HA PHE 13 HA PHE 13 0.988 -0.803 -5.659 83 1HB PHE 13 1HB PHE 13 1.122 -3.609 -6.763 84 2HB PHE 13 2HB PHE 13 2.235 -3.052 -5.510 85 HD1 PHE 13 HD1 PHE 13 1.058 -1.708 -3.488 86 HD2 PHE 13 HD2 PHE 13 -0.783 -4.747 -5.930 87 HE1 PHE 13 HE1 PHE 13 -0.676 -2.063 -1.752 88 HE2 PHE 13 HE2 PHE 13 -2.435 -5.172 -4.128 89 HZ PHE 13 HZ PHE 13 -2.467 -3.671 -2.099 90 H LYS 14 H LYS 14 1.834 -1.396 -8.995 91 HA LYS 14 HA LYS 14 4.647 -0.909 -8.570 92 1HB LYS 14 1HB LYS 14 3.293 -1.956 -10.523 93 2HB LYS 14 2HB LYS 14 3.291 -0.344 -11.186 94 1HG LYS 14 1HG LYS 14 5.772 -0.165 -11.046 95 2HG LYS 14 2HG LYS 14 5.851 -1.740 -10.269 96 1HD LYS 14 1HD LYS 14 4.554 -2.497 -12.509 97 2HD LYS 14 2HD LYS 14 5.375 -1.073 -13.157 98 1HE LYS 14 1HE LYS 14 6.621 -3.486 -11.770 99 2HE LYS 14 2HE LYS 14 6.683 -3.144 -13.493 100 1HZ LYS 14 1HZ LYS 14 7.900 -1.422 -11.403 101 2HZ LYS 14 2HZ LYS 14 8.726 -2.492 -12.314 102 3HZ LYS 14 3HZ LYS 14 7.994 -1.189 -13.027 103 H GLU 15 H GLU 15 1.854 1.192 -9.187 104 HA GLU 15 HA GLU 15 3.337 3.583 -9.694 105 1HB GLU 15 1HB GLU 15 0.868 3.282 -7.964 106 2HB GLU 15 2HB GLU 15 1.503 4.833 -8.476 107 1HG GLU 15 1HG GLU 15 0.615 2.645 -10.392 108 2HG GLU 15 2HG GLU 15 -0.436 3.890 -9.779 109 H ILE 16 H ILE 16 2.681 1.968 -6.541 110 HA ILE 16 HA ILE 16 3.912 3.934 -4.922 111 HB ILE 16 HB ILE 16 3.474 0.941 -4.545 112 1HG1 ILE 16 1HG1 ILE 16 1.867 3.192 -3.297 113 2HG1 ILE 16 2HG1 ILE 16 1.325 2.416 -4.792 114 1HG2 ILE 16 1HG2 ILE 16 4.245 3.083 -2.547 115 2HG2 ILE 16 2HG2 ILE 16 3.797 1.409 -2.124 116 3HG2 ILE 16 3HG2 ILE 16 5.240 1.704 -3.082 117 1HD1 ILE 16 1HD1 ILE 16 1.851 0.543 -2.609 118 2HD1 ILE 16 2HD1 ILE 16 0.457 1.618 -2.490 119 3HD1 ILE 16 3HD1 ILE 16 0.638 0.566 -3.901 120 H GLU 17 H GLU 17 5.148 0.941 -6.511 121 HA GLU 17 HA GLU 17 7.867 1.204 -5.675 122 1HB GLU 17 1HB GLU 17 6.872 -0.854 -6.723 123 2HB GLU 17 2HB GLU 17 6.736 0.004 -8.203 124 1HG GLU 17 1HG GLU 17 9.449 0.359 -7.706 125 2HG GLU 17 2HG GLU 17 9.182 -1.199 -6.967 126 H LYS 18 H LYS 18 6.284 2.345 -8.651 127 HA LYS 18 HA LYS 18 8.456 3.344 -9.977 128 1HB LYS 18 1HB LYS 18 6.174 2.986 -10.846 129 2HB LYS 18 2HB LYS 18 5.535 4.295 -9.872 130 1HG LYS 18 1HG LYS 18 7.442 4.649 -12.211 131 2HG LYS 18 2HG LYS 18 5.688 4.696 -12.283 132 1HD LYS 18 1HD LYS 18 5.817 6.623 -10.535 133 2HD LYS 18 2HD LYS 18 7.536 6.714 -11.006 134 1HE LYS 18 1HE LYS 18 6.676 6.701 -13.434 135 2HE LYS 18 2HE LYS 18 5.062 6.986 -12.781 136 1HZ LYS 18 1HZ LYS 18 7.396 8.763 -12.368 137 2HZ LYS 18 2HZ LYS 18 6.218 9.008 -13.476 138 3HZ LYS 18 3HZ LYS 18 5.869 9.067 -11.863 139 H LYS 19 H LYS 19 6.262 5.033 -7.726 140 HA LYS 19 HA LYS 19 7.619 7.538 -7.625 141 1HB LYS 19 1HB LYS 19 5.292 7.134 -6.951 142 2HB LYS 19 2HB LYS 19 5.809 6.015 -5.696 143 1HG LYS 19 2HG LYS 19 6.802 7.826 -4.418 144 2HG LYS 19 1HG LYS 19 5.093 8.046 -4.720 145 1HD LYS 19 1HD LYS 19 6.010 9.531 -6.789 146 2HD LYS 19 2HD LYS 19 5.667 10.178 -5.184 147 1HE LYS 19 1HE LYS 19 8.405 9.356 -6.197 148 2HE LYS 19 2HE LYS 19 7.815 10.998 -5.985 149 1HZ LYS 19 1HZ LYS 19 8.081 9.062 -3.768 150 2HZ LYS 19 2HZ LYS 19 9.203 10.165 -4.131 151 3HZ LYS 19 3HZ LYS 19 7.702 10.682 -3.654 152 H LEU 20 H LEU 20 8.274 4.439 -5.894 153 HA LEU 20 HA LEU 20 10.120 5.641 -4.054 154 1HB LEU 20 1HB LEU 20 8.856 3.018 -4.527 155 2HB LEU 20 2HB LEU 20 10.551 2.877 -4.181 156 HG LEU 20 HG LEU 20 9.449 4.828 -2.317 157 1HD1 LEU 20 1HD1 LEU 20 7.866 2.249 -2.409 158 2HD1 LEU 20 2HD1 LEU 20 7.824 3.493 -1.128 159 3HD1 LEU 20 3HD1 LEU 20 7.269 3.883 -2.766 160 1HD2 LEU 20 1HD2 LEU 20 11.400 3.365 -2.012 161 2HD2 LEU 20 2HD2 LEU 20 10.276 3.322 -0.665 162 3HD2 LEU 20 3HD2 LEU 20 10.296 1.969 -1.813 163 H GLU 21 H GLU 21 10.415 3.842 -7.154 164 HA GLU 21 HA GLU 21 13.215 3.909 -7.315 165 1HB GLU 21 1HB GLU 21 11.281 4.249 -9.616 166 2HB GLU 21 2HB GLU 21 12.965 3.797 -9.771 167 1HG GLU 21 1HG GLU 21 10.891 2.128 -8.254 168 2HG GLU 21 2HG GLU 21 11.259 1.931 -9.959 169 H GLU 22 H GLU 22 10.917 6.434 -8.572 170 HA GLU 22 HA GLU 22 12.948 8.158 -9.445 171 1HB GLU 22 1HB GLU 22 10.107 8.769 -8.505 172 2HB GLU 22 2HB GLU 22 11.140 9.877 -9.413 173 1HG GLU 22 1HG GLU 22 11.351 8.038 -11.162 174 2HG GLU 22 2HG GLU 22 10.102 7.173 -10.346 175 H GLU 23 H GLU 23 11.167 8.104 -6.327 176 HA GLU 23 HA GLU 23 13.164 9.784 -5.037 177 1HB GLU 23 1HB GLU 23 11.609 11.135 -6.518 178 2HB GLU 23 2HB GLU 23 10.270 10.509 -5.581 179 1HG GLU 23 1HG GLU 23 10.738 12.603 -4.698 180 2HG GLU 23 2HG GLU 23 11.438 11.475 -3.532 181 H GLY 24 H GLY 24 12.912 7.263 -4.377 182 1HA GLY 24 1HA GLY 24 11.003 6.730 -2.331 183 2HA GLY 24 2HA GLY 24 12.478 5.831 -2.662 184 H GLU 25 H GLU 25 14.106 8.452 -2.215 185 HA GLU 25 HA GLU 25 14.926 7.704 0.332 186 1HB GLU 25 1HB GLU 25 15.413 10.246 -1.241 187 2HB GLU 25 2HB GLU 25 15.981 10.070 0.419 188 1HG GLU 25 1HG GLU 25 16.976 7.767 -0.476 189 2HG GLU 25 2HG GLU 25 16.884 8.593 -2.039 190 H GLN 26 H GLN 26 12.747 10.522 -0.458 191 HA GLN 26 HA GLN 26 12.416 11.244 2.250 192 1HB GLN 26 1HB GLN 26 11.786 12.531 0.049 193 2HB GLN 26 2HB GLN 26 10.260 11.648 0.128 194 1HG GLN 26 1HG GLN 26 9.794 12.519 2.333 195 2HG GLN 26 2HG GLN 26 11.425 13.180 2.486 196 2HE2 GLN 26 1HE2 GLN 26 11.956 14.809 0.511 197 1HE2 GLN 26 2HE2 GLN 26 10.765 16.075 0.365 198 H PHE 27 H PHE 27 10.943 8.698 0.326 199 HA PHE 27 HA PHE 27 8.496 8.412 1.870 200 1HB PHE 27 1HB PHE 27 9.801 7.305 -0.591 201 2HB PHE 27 2HB PHE 27 8.864 6.151 0.326 202 HD1 PHE 27 HD1 PHE 27 7.999 9.801 0.055 203 HD2 PHE 27 HD2 PHE 27 7.233 5.807 -1.399 204 HE1 PHE 27 HE1 PHE 27 6.029 10.618 -1.154 205 HE2 PHE 27 HE2 PHE 27 5.273 6.648 -2.647 206 HZ PHE 27 HZ PHE 27 4.640 9.050 -2.503 207 H VAL 28 H VAL 28 11.718 6.829 1.694 208 HA VAL 28 HA VAL 28 11.420 4.864 3.701 209 HB VAL 28 HB VAL 28 13.713 6.653 2.843 210 1HG1 VAL 28 1HG1 VAL 28 13.856 4.427 4.887 211 2HG1 VAL 28 2HG1 VAL 28 15.256 5.075 4.020 212 3HG1 VAL 28 3HG1 VAL 28 14.332 6.120 5.106 213 1HG2 VAL 28 1HG2 VAL 28 12.831 4.823 1.326 214 2HG2 VAL 28 2HG2 VAL 28 14.548 4.724 1.765 215 3HG2 VAL 28 3HG2 VAL 28 13.386 3.655 2.539 216 H LYS 29 H LYS 29 12.136 8.394 4.067 217 HA LYS 29 HA LYS 29 12.007 8.186 6.945 218 1HB LYS 29 1HB LYS 29 11.867 10.596 5.092 219 2HB LYS 29 2HB LYS 29 11.969 10.713 6.845 220 1HG LYS 29 1HG LYS 29 14.013 9.362 5.081 221 2HG LYS 29 2HG LYS 29 14.112 11.028 5.644 222 1HD LYS 29 1HD LYS 29 14.593 10.449 7.841 223 2HD LYS 29 2HD LYS 29 13.834 8.853 7.727 224 1HE LYS 29 1HE LYS 29 15.560 8.067 6.205 225 2HE LYS 29 2HE LYS 29 16.367 9.638 6.235 226 1HZ LYS 29 1HZ LYS 29 15.938 7.972 8.627 227 2HZ LYS 29 2HZ LYS 29 17.321 7.943 7.710 228 3HZ LYS 29 3HZ LYS 29 16.875 9.313 8.511 229 H LYS 30 H LYS 30 9.400 8.088 4.703 230 HA LYS 30 HA LYS 30 7.546 9.347 6.555 231 1HB LYS 30 1HB LYS 30 7.056 7.918 3.908 232 2HB LYS 30 2HB LYS 30 5.796 8.596 4.924 233 1HG LYS 30 1HG LYS 30 7.139 10.840 4.725 234 2HG LYS 30 2HG LYS 30 7.922 10.040 3.363 235 1HD LYS 30 1HD LYS 30 6.166 11.067 2.274 236 2HD LYS 30 2HD LYS 30 5.499 9.470 2.557 237 1HE LYS 30 1HE LYS 30 3.801 11.064 3.146 238 2HE LYS 30 2HE LYS 30 4.381 10.364 4.659 239 1HZ LYS 30 1HZ LYS 30 5.374 12.933 3.581 240 2HZ LYS 30 2HZ LYS 30 4.150 12.811 4.704 241 3HZ LYS 30 3HZ LYS 30 5.661 12.321 5.064 242 H ILE 31 H ILE 31 8.570 6.065 5.725 243 HA ILE 31 HA ILE 31 6.470 4.924 7.548 244 HB ILE 31 HB ILE 31 7.729 3.921 4.993 245 1HG1 ILE 31 2HG1 ILE 31 4.942 4.510 6.032 246 2HG1 ILE 31 1HG1 ILE 31 5.109 3.142 4.950 247 1HG2 ILE 31 1HG2 ILE 31 6.590 2.322 7.255 248 2HG2 ILE 31 2HG2 ILE 31 6.586 1.728 5.586 249 3HG2 ILE 31 3HG2 ILE 31 8.116 2.079 6.394 250 1HD1 ILE 31 1HD1 ILE 31 6.226 4.520 3.278 251 2HD1 ILE 31 2HD1 ILE 31 4.576 5.060 3.659 252 3HD1 ILE 31 3HD1 ILE 31 5.969 5.948 4.304 253 H GLY 32 H GLY 32 9.900 4.474 6.383 254 1HA GLY 32 1HA GLY 32 11.792 3.872 7.373 255 2HA GLY 32 2HA GLY 32 11.048 4.322 8.902 256 H GLY 33 H GLY 33 10.670 1.509 6.518 257 1HA GLY 33 1HA GLY 33 11.435 -0.422 8.476 258 2HA GLY 33 2HA GLY 33 9.670 -0.277 8.431 259 H ILE 34 H ILE 34 10.045 -2.606 7.732 260 HA ILE 34 HA ILE 34 9.663 -2.556 4.804 261 HB ILE 34 HB ILE 34 10.685 -4.989 6.337 262 1HG1 ILE 34 2HG1 ILE 34 11.900 -3.273 4.168 263 2HG1 ILE 34 1HG1 ILE 34 12.318 -4.965 4.258 264 1HG2 ILE 34 1HG2 ILE 34 9.601 -4.698 3.505 265 2HG2 ILE 34 2HG2 ILE 34 10.416 -6.144 4.124 266 3HG2 ILE 34 3HG2 ILE 34 8.893 -5.642 4.822 267 1HD1 ILE 34 1HD1 ILE 34 13.052 -4.649 6.622 268 2HD1 ILE 34 2HD1 ILE 34 14.001 -3.733 5.435 269 3HD1 ILE 34 3HD1 ILE 34 12.809 -2.893 6.429 270 H PHE 35 H PHE 35 7.531 -2.885 4.423 271 HA PHE 35 HA PHE 35 6.032 -4.480 6.441 272 1HB PHE 35 2HB PHE 35 5.431 -2.131 6.669 273 2HB PHE 35 1HB PHE 35 4.079 -3.151 6.209 274 HD1 PHE 35 HD1 PHE 35 6.448 -0.507 5.059 275 HD2 PHE 35 HD2 PHE 35 2.956 -2.836 4.095 276 HE1 PHE 35 HE1 PHE 35 5.838 1.112 3.235 277 HE2 PHE 35 HE2 PHE 35 2.412 -1.277 2.282 278 HZ PHE 35 HZ PHE 35 3.828 0.731 1.860 279 H ALA 36 H ALA 36 4.005 -5.362 5.381 280 HA ALA 36 HA ALA 36 4.312 -5.811 2.452 281 1HB ALA 36 3HB ALA 36 3.582 -8.095 2.824 282 2HB ALA 36 1HB ALA 36 5.023 -7.802 3.788 283 3HB ALA 36 2HB ALA 36 3.407 -7.832 4.551 284 H PHE 37 H PHE 37 2.437 -5.666 1.282 285 HA PHE 37 HA PHE 37 0.064 -4.460 2.555 286 1HB PHE 37 1HB PHE 37 0.888 -5.043 -0.318 287 2HB PHE 37 2HB PHE 37 -0.707 -4.447 0.113 288 HD1 PHE 37 HD1 PHE 37 -0.750 -2.300 1.667 289 HD2 PHE 37 HD2 PHE 37 2.423 -3.421 -1.028 290 HE1 PHE 37 HE1 PHE 37 -0.204 0.083 1.328 291 HE2 PHE 37 HE2 PHE 37 2.959 -1.080 -1.379 292 HZ PHE 37 HZ PHE 37 1.658 0.728 -0.199 293 H LYS 38 H LYS 38 -0.979 -6.250 3.715 294 HA LYS 38 HA LYS 38 -1.416 -8.729 2.231 295 1HB LYS 38 1HB LYS 38 -1.146 -8.443 4.820 296 2HB LYS 38 2HB LYS 38 -2.730 -7.728 4.850 297 1HG LYS 38 2HG LYS 38 -3.196 -10.089 3.444 298 2HG LYS 38 1HG LYS 38 -3.554 -9.816 5.134 299 1HD LYS 38 1HD LYS 38 -2.233 -11.930 4.547 300 2HD LYS 38 2HD LYS 38 -0.853 -10.873 4.221 301 1HE LYS 38 1HE LYS 38 -1.053 -9.950 6.539 302 2HE LYS 38 2HE LYS 38 -2.429 -11.012 6.851 303 1HZ LYS 38 1HZ LYS 38 0.295 -11.931 6.182 304 2HZ LYS 38 2HZ LYS 38 -0.327 -11.840 7.704 305 3HZ LYS 38 3HZ LYS 38 -0.948 -12.914 6.639 306 H VAL 39 H VAL 39 -2.575 -8.207 0.373 307 HA VAL 39 HA VAL 39 -5.268 -7.017 0.720 308 HB VAL 39 HB VAL 39 -3.514 -7.844 -1.674 309 1HG1 VAL 39 1HG1 VAL 39 -6.385 -6.845 -1.725 310 2HG1 VAL 39 2HG1 VAL 39 -5.304 -6.806 -3.136 311 3HG1 VAL 39 3HG1 VAL 39 -5.712 -8.354 -2.401 312 1HG2 VAL 39 1HG2 VAL 39 -3.064 -5.601 -0.514 313 2HG2 VAL 39 2HG2 VAL 39 -3.423 -5.599 -2.251 314 3HG2 VAL 39 3HG2 VAL 39 -4.667 -5.108 -1.139 315 H LYS 40 H LYS 40 -6.921 -8.509 1.072 316 HA LYS 40 HA LYS 40 -6.938 -11.002 -0.484 317 1HB LYS 40 1HB LYS 40 -8.718 -11.652 1.344 318 2HB LYS 40 2HB LYS 40 -6.991 -11.856 1.571 319 1HG LYS 40 1HG LYS 40 -6.792 -9.984 3.026 320 2HG LYS 40 2HG LYS 40 -8.461 -9.467 2.710 321 1HD LYS 40 1HD LYS 40 -9.359 -11.077 4.054 322 2HD LYS 40 2HD LYS 40 -8.094 -12.267 3.764 323 1HE LYS 40 1HE LYS 40 -7.527 -9.732 5.332 324 2HE LYS 40 2HE LYS 40 -8.265 -11.137 6.112 325 1HZ LYS 40 1HZ LYS 40 -5.744 -11.423 4.600 326 2HZ LYS 40 2HZ LYS 40 -5.780 -11.002 6.206 327 3HZ LYS 40 3HZ LYS 40 -6.381 -12.432 5.704 328 H ASP 41 H ASP 41 -9.240 -11.606 -0.859 329 HA ASP 41 HA ASP 41 -11.315 -11.282 -1.678 330 1HB ASP 41 1HB ASP 41 -11.228 -10.554 0.866 331 2HB ASP 41 2HB ASP 41 -11.584 -8.987 0.277 332 H GLY 42 H GLY 42 -10.118 -10.424 -3.652 333 1HA GLY 42 1HA GLY 42 -11.063 -7.714 -4.461 334 2HA GLY 42 2HA GLY 42 -9.555 -8.465 -4.946 335 HA PRO 43 HA PRO 43 -12.692 -8.949 -8.203 336 1HB PRO 43 1HB PRO 43 -11.091 -8.776 -10.413 337 2HB PRO 43 2HB PRO 43 -11.601 -7.396 -9.419 338 1HG PRO 43 1HG PRO 43 -8.979 -8.903 -9.268 339 2HG PRO 43 2HG PRO 43 -9.241 -7.127 -9.333 340 1HD PRO 43 1HD PRO 43 -8.844 -8.481 -6.995 341 2HD PRO 43 2HD PRO 43 -9.911 -7.052 -7.091 342 H GLY 44 H GLY 44 -10.817 -11.180 -6.949 343 1HA GLY 44 1HA GLY 44 -12.141 -13.240 -8.548 344 2HA GLY 44 2HA GLY 44 -10.462 -13.557 -8.073 345 H GLY 45 H GLY 45 -10.336 -12.427 -5.467 346 1HA GLY 45 1HA GLY 45 -11.845 -12.565 -3.441 347 2HA GLY 45 2HA GLY 45 -12.182 -14.214 -3.971 348 H LYS 46 H LYS 46 -9.375 -14.450 -5.048 349 HA LYS 46 HA LYS 46 -8.057 -15.640 -2.845 350 1HB LYS 46 1HB LYS 46 -6.936 -14.716 -5.523 351 2HB LYS 46 2HB LYS 46 -6.123 -15.827 -4.429 352 1HG LYS 46 1HG LYS 46 -7.244 -17.609 -5.186 353 2HG LYS 46 2HG LYS 46 -8.789 -16.841 -4.944 354 1HD LYS 46 1HD LYS 46 -8.763 -17.358 -7.203 355 2HD LYS 46 2HD LYS 46 -8.422 -15.620 -7.178 356 1HE LYS 46 1HE LYS 46 -5.964 -16.201 -7.417 357 2HE LYS 46 2HE LYS 46 -6.420 -17.906 -7.523 358 1HZ LYS 46 1HZ LYS 46 -7.685 -17.349 -9.561 359 2HZ LYS 46 2HZ LYS 46 -7.182 -15.774 -9.435 360 3HZ LYS 46 3HZ LYS 46 -6.097 -16.940 -9.700 361 H GLU 47 H GLU 47 -5.544 -14.974 -2.615 362 HA GLU 47 HA GLU 47 -5.549 -12.137 -1.706 363 1HB GLU 47 1HB GLU 47 -4.103 -14.335 -0.218 364 2HB GLU 47 2HB GLU 47 -4.621 -12.752 0.318 365 1HG GLU 47 2HG GLU 47 -7.066 -13.716 -0.013 366 2HG GLU 47 1HG GLU 47 -6.121 -14.009 1.440 367 H ALA 48 H ALA 48 -3.547 -11.007 -1.639 368 HA ALA 48 HA ALA 48 -1.252 -12.094 -3.173 369 1HB ALA 48 1HB ALA 48 -2.751 -9.523 -3.831 370 2HB ALA 48 3HB ALA 48 -2.606 -10.979 -4.857 371 3HB ALA 48 2HB ALA 48 -1.175 -10.010 -4.485 372 H THR 49 H THR 49 0.585 -10.410 -2.935 373 HA THR 49 HA THR 49 0.259 -8.365 -0.909 374 HB THR 49 HB THR 49 2.011 -10.814 -0.416 375 HG1 THR 49 HG1 THR 49 -0.255 -10.352 0.323 376 1HG2 THR 49 1HG2 THR 49 2.246 -8.099 0.928 377 2HG2 THR 49 2HG2 THR 49 2.976 -9.641 1.498 378 3HG2 THR 49 3HG2 THR 49 3.500 -8.933 -0.016 379 H TRP 50 H TRP 50 1.937 -6.806 -1.182 380 HA TRP 50 HA TRP 50 4.184 -7.395 -3.068 381 1HB TRP 50 1HB TRP 50 2.213 -5.099 -2.854 382 2HB TRP 50 2HB TRP 50 3.906 -4.675 -3.012 383 HD1 TRP 50 HD1 TRP 50 4.810 -4.508 -5.473 384 HE1 TRP 50 HE1 TRP 50 3.724 -4.864 -7.749 385 HE3 TRP 50 HE3 TRP 50 0.670 -7.139 -3.995 386 HZ2 TRP 50 HZ2 TRP 50 1.537 -6.423 -8.814 387 HZ3 TRP 50 HZ3 TRP 50 -0.921 -8.023 -5.643 388 HH2 TRP 50 HH2 TRP 50 -0.525 -7.713 -8.055 389 H VAL 51 H VAL 51 6.196 -6.992 -1.898 390 HA VAL 51 HA VAL 51 5.916 -6.239 0.963 391 HB VAL 51 HB VAL 51 8.369 -7.246 -0.534 392 1HG1 VAL 51 1HG1 VAL 51 7.694 -6.985 2.430 393 2HG1 VAL 51 2HG1 VAL 51 9.124 -7.819 1.810 394 3HG1 VAL 51 3HG1 VAL 51 8.933 -6.088 1.532 395 1HG2 VAL 51 1HG2 VAL 51 6.400 -8.927 1.066 396 2HG2 VAL 51 2HG2 VAL 51 6.737 -9.057 -0.677 397 3HG2 VAL 51 3HG2 VAL 51 7.984 -9.466 0.476 398 H VAL 52 H VAL 52 6.929 -4.195 1.701 399 HA VAL 52 HA VAL 52 8.076 -2.555 -0.516 400 HB VAL 52 HB VAL 52 6.330 -1.589 1.761 401 1HG1 VAL 52 1HG1 VAL 52 7.416 -0.213 -0.742 402 2HG1 VAL 52 2HG1 VAL 52 6.291 0.507 0.429 403 3HG1 VAL 52 3HG1 VAL 52 7.943 0.086 0.908 404 1HG2 VAL 52 1HG2 VAL 52 5.567 -2.024 -1.149 405 2HG2 VAL 52 2HG2 VAL 52 4.880 -2.851 0.268 406 3HG2 VAL 52 3HG2 VAL 52 4.635 -1.116 0.057 407 H ASP 53 H ASP 53 10.221 -2.280 -0.102 408 HA ASP 53 HA ASP 53 11.078 -2.096 2.700 409 1HB ASP 53 1HB ASP 53 12.453 -3.217 0.709 410 2HB ASP 53 2HB ASP 53 12.955 -1.559 0.416 411 H VAL 54 H VAL 54 11.094 -0.233 3.673 412 HA VAL 54 HA VAL 54 11.721 2.226 2.247 413 HB VAL 54 HB VAL 54 9.823 3.233 3.925 414 1HG1 VAL 54 1HG1 VAL 54 10.148 3.768 1.562 415 2HG1 VAL 54 2HG1 VAL 54 9.267 2.286 1.114 416 3HG1 VAL 54 3HG1 VAL 54 8.451 3.603 2.003 417 1HG2 VAL 54 1HG2 VAL 54 8.931 1.035 4.606 418 2HG2 VAL 54 2HG2 VAL 54 7.759 1.999 3.678 419 3HG2 VAL 54 3HG2 VAL 54 8.577 0.634 2.927 420 H LYS 55 H LYS 55 13.269 0.402 3.743 421 HA LYS 55 HA LYS 55 14.244 2.436 5.696 422 1HB LYS 55 1HB LYS 55 13.452 0.306 6.856 423 2HB LYS 55 2HB LYS 55 14.718 -0.559 5.964 424 1HG LYS 55 1HG LYS 55 16.373 1.117 6.939 425 2HG LYS 55 2HG LYS 55 15.070 1.734 7.949 426 1HD LYS 55 1HD LYS 55 14.971 -0.359 9.170 427 2HD LYS 55 2HD LYS 55 16.067 -1.150 7.999 428 1HE LYS 55 1HE LYS 55 17.868 0.439 8.546 429 2HE LYS 55 2HE LYS 55 16.799 1.316 9.637 430 1HZ LYS 55 1HZ LYS 55 16.709 -0.712 11.021 431 2HZ LYS 55 2HZ LYS 55 17.862 -1.408 10.062 432 3HZ LYS 55 3HZ LYS 55 18.187 -0.038 10.905 433 H ASN 56 H ASN 56 14.937 -0.062 3.273 434 HA ASN 56 HA ASN 56 17.801 0.203 3.655 435 1HB ASN 56 1HB ASN 56 15.933 -1.618 2.101 436 2HB ASN 56 2HB ASN 56 17.594 -1.571 1.688 437 2HD2 ASN 56 1HD2 ASN 56 15.390 -2.857 3.904 438 1HD2 ASN 56 2HD2 ASN 56 16.521 -3.343 5.193 439 H GLY 57 H GLY 57 18.986 1.720 2.591 440 1HA GLY 57 1HA GLY 57 19.736 3.129 0.967 441 2HA GLY 57 2HA GLY 57 18.985 2.071 -0.248 442 H LYS 58 H LYS 58 17.794 3.458 -1.474 443 HA LYS 58 HA LYS 58 16.199 5.613 -0.309 444 1HB LYS 58 1HB LYS 58 15.505 4.714 -3.046 445 2HB LYS 58 2HB LYS 58 15.668 6.312 -2.378 446 1HG LYS 58 1HG LYS 58 17.265 6.232 -3.936 447 2HG LYS 58 2HG LYS 58 18.214 5.941 -2.486 448 1HD LYS 58 1HD LYS 58 18.570 3.620 -3.123 449 2HD LYS 58 2HD LYS 58 17.188 3.653 -4.240 450 1HE LYS 58 1HE LYS 58 18.449 5.371 -5.605 451 2HE LYS 58 2HE LYS 58 19.864 5.068 -4.588 452 1HZ LYS 58 1HZ LYS 58 19.736 2.730 -5.333 453 2HZ LYS 58 2HZ LYS 58 18.476 3.148 -6.345 454 3HZ LYS 58 3HZ LYS 58 19.974 3.809 -6.555 455 H GLY 59 H GLY 59 15.659 2.241 -0.382 456 1HA GLY 59 1HA GLY 59 13.706 1.166 0.252 457 2HA GLY 59 2HA GLY 59 12.767 2.641 -0.033 458 H SER 60 H SER 60 12.178 0.095 -1.159 459 HA SER 60 HA SER 60 11.864 0.557 -3.886 460 1HB SER 60 1HB SER 60 13.565 -1.858 -2.974 461 2HB SER 60 2HB SER 60 13.179 -1.464 -4.645 462 HG SER 60 HG SER 60 14.601 0.244 -4.560 463 H VAL 61 H VAL 61 10.093 -0.776 -4.475 464 HA VAL 61 HA VAL 61 8.834 -2.474 -2.422 465 HB VAL 61 HB VAL 61 8.044 -1.871 -5.263 466 1HG1 VAL 61 1HG1 VAL 61 6.994 -3.964 -4.443 467 2HG1 VAL 61 2HG1 VAL 61 6.289 -3.062 -3.088 468 3HG1 VAL 61 3HG1 VAL 61 5.833 -2.685 -4.761 469 1HG2 VAL 61 1HG2 VAL 61 7.923 0.196 -3.820 470 2HG2 VAL 61 2HG2 VAL 61 6.358 -0.341 -4.450 471 3HG2 VAL 61 3HG2 VAL 61 6.782 -0.662 -2.775 472 H LEU 62 H LEU 62 8.609 -4.704 -2.786 473 HA LEU 62 HA LEU 62 10.538 -5.961 -4.683 474 1HB LEU 62 1HB LEU 62 10.038 -6.470 -1.738 475 2HB LEU 62 2HB LEU 62 10.931 -7.581 -2.773 476 HG LEU 62 HG LEU 62 11.832 -4.693 -2.750 477 1HD1 LEU 62 1HD1 LEU 62 11.443 -5.122 -0.379 478 2HD1 LEU 62 2HD1 LEU 62 12.459 -6.594 -0.490 479 3HD1 LEU 62 3HD1 LEU 62 13.158 -4.965 -0.772 480 1HD2 LEU 62 1HD2 LEU 62 12.933 -6.364 -4.191 481 2HD2 LEU 62 2HD2 LEU 62 14.033 -5.702 -2.988 482 3HD2 LEU 62 3HD2 LEU 62 13.353 -7.336 -2.762 483 HA PRO 63 HA PRO 63 6.180 -7.217 -5.251 484 1HB PRO 63 1HB PRO 63 6.204 -7.890 -7.880 485 2HB PRO 63 2HB PRO 63 6.262 -6.190 -7.351 486 1HG PRO 63 2HG PRO 63 8.266 -6.326 -8.692 487 2HG PRO 63 1HG PRO 63 8.571 -7.987 -8.118 488 1HD PRO 63 1HD PRO 63 9.998 -6.858 -6.648 489 2HD PRO 63 2HD PRO 63 8.999 -5.380 -6.645 490 H ASN 64 H ASN 64 5.152 -9.219 -5.426 491 HA ASN 64 HA ASN 64 4.854 -11.296 -4.834 492 1HB ASN 64 2HB ASN 64 5.289 -12.852 -6.444 493 2HB ASN 64 1HB ASN 64 6.850 -12.211 -6.866 494 2HD2 ASN 64 1HD2 ASN 64 3.884 -12.655 -8.020 495 1HD2 ASN 64 2HD2 ASN 64 3.899 -11.488 -9.329 496 H SER 65 H SER 65 7.240 -10.074 -3.380 497 HA SER 65 HA SER 65 9.270 -12.072 -3.721 498 1HB SER 65 1HB SER 65 9.263 -9.376 -3.246 499 2HB SER 65 2HB SER 65 9.678 -9.984 -1.642 500 HG SER 65 HG SER 65 11.009 -10.209 -4.122 501 H ASP 66 H ASP 66 10.227 -13.406 -2.244 502 HA ASP 66 HA ASP 66 8.656 -14.311 0.013 503 1HB ASP 66 1HB ASP 66 10.111 -15.711 -1.600 504 2HB ASP 66 2HB ASP 66 11.478 -15.221 -0.591 505 H LYS 67 H LYS 67 10.765 -11.753 -0.404 506 HA LYS 67 HA LYS 67 12.202 -11.384 1.905 507 1HB LYS 67 1HB LYS 67 11.995 -9.763 -0.005 508 2HB LYS 67 2HB LYS 67 10.401 -9.345 0.598 509 1HG LYS 67 2HG LYS 67 11.688 -8.644 2.781 510 2HG LYS 67 1HG LYS 67 11.614 -7.586 1.385 511 1HD LYS 67 1HD LYS 67 13.943 -9.355 2.194 512 2HD LYS 67 2HD LYS 67 13.914 -8.410 0.701 513 1HE LYS 67 1HE LYS 67 13.389 -7.090 3.388 514 2HE LYS 67 2HE LYS 67 15.045 -7.437 2.905 515 1HZ LYS 67 1HZ LYS 67 13.266 -5.821 1.183 516 2HZ LYS 67 2HZ LYS 67 14.172 -5.141 2.350 517 3HZ LYS 67 3HZ LYS 67 14.918 -5.919 1.161 518 H LYS 68 H LYS 68 11.774 -11.176 3.985 519 HA LYS 68 HA LYS 68 9.070 -11.594 5.008 520 1HB LYS 68 1HB LYS 68 10.073 -11.624 7.188 521 2HB LYS 68 2HB LYS 68 11.150 -12.496 6.095 522 1HG LYS 68 1HG LYS 68 12.382 -10.208 5.866 523 2HG LYS 68 2HG LYS 68 11.496 -9.726 7.308 524 1HD LYS 68 1HD LYS 68 12.490 -11.529 8.599 525 2HD LYS 68 2HD LYS 68 13.313 -12.170 7.150 526 1HE LYS 68 1HE LYS 68 14.629 -10.132 6.929 527 2HE LYS 68 2HE LYS 68 13.719 -9.358 8.235 528 1HZ LYS 68 1HZ LYS 68 14.653 -10.990 9.768 529 2HZ LYS 68 2HZ LYS 68 15.529 -11.677 8.571 530 3HZ LYS 68 3HZ LYS 68 15.815 -10.123 9.043 531 H ALA 69 H ALA 69 8.835 -9.941 7.061 532 HA ALA 69 HA ALA 69 9.206 -7.166 6.324 533 1HB ALA 69 1HB ALA 69 7.115 -7.658 5.058 534 2HB ALA 69 3HB ALA 69 6.838 -6.518 6.378 535 3HB ALA 69 2HB ALA 69 6.343 -8.208 6.565 536 H ASP 70 H ASP 70 8.804 -5.709 8.155 537 HA ASP 70 HA ASP 70 9.196 -7.089 10.684 538 1HB ASP 70 1HB ASP 70 9.769 -5.024 11.524 539 2HB ASP 70 2HB ASP 70 10.518 -5.129 9.955 540 H CYS 71 H CYS 71 6.653 -5.452 8.967 541 HA CYS 71 HA CYS 71 4.596 -6.267 10.899 542 1HB CYS 71 1HB CYS 71 5.438 -3.448 10.183 543 2HB CYS 71 2HB CYS 71 3.719 -3.777 10.372 544 H THR 72 H THR 72 2.323 -5.602 9.684 545 HA THR 72 HA THR 72 2.550 -5.756 6.766 546 HB THR 72 HB THR 72 1.784 -8.152 8.476 547 HG1 THR 72 HG1 THR 72 3.941 -7.555 7.494 548 1HG2 THR 72 1HG2 THR 72 1.095 -7.570 5.561 549 2HG2 THR 72 2HG2 THR 72 1.083 -9.200 6.263 550 3HG2 THR 72 3HG2 THR 72 -0.028 -7.960 6.876 551 H ILE 73 H ILE 73 0.935 -4.449 6.107 552 HA ILE 73 HA ILE 73 -1.141 -3.776 8.085 553 HB ILE 73 HB ILE 73 0.337 -2.169 6.689 554 1HG1 ILE 73 1HG1 ILE 73 -1.819 -1.641 8.046 555 2HG1 ILE 73 2HG1 ILE 73 -1.035 -0.454 7.044 556 1HG2 ILE 73 1HG2 ILE 73 -0.035 -3.325 4.528 557 2HG2 ILE 73 2HG2 ILE 73 -1.711 -2.785 4.560 558 3HG2 ILE 73 3HG2 ILE 73 -0.411 -1.584 4.459 559 1HD1 ILE 73 1HD1 ILE 73 -3.499 -1.981 6.192 560 2HD1 ILE 73 2HD1 ILE 73 -3.459 -0.310 6.794 561 3HD1 ILE 73 3HD1 ILE 73 -2.692 -0.689 5.264 562 H THR 74 H THR 74 -3.384 -4.172 7.668 563 HA THR 74 HA THR 74 -3.981 -5.915 5.285 564 HB THR 74 HB THR 74 -5.121 -5.925 8.105 565 HG1 THR 74 HG1 THR 74 -3.754 -7.477 8.460 566 1HG2 THR 74 1HG2 THR 74 -5.741 -7.674 5.669 567 2HG2 THR 74 2HG2 THR 74 -6.371 -7.954 7.319 568 3HG2 THR 74 3HG2 THR 74 -6.844 -6.510 6.436 569 H MET 75 H MET 75 -5.592 -5.005 3.887 570 HA MET 75 HA MET 75 -7.598 -3.343 5.336 571 1HB MET 75 1HB MET 75 -5.847 -2.311 3.128 572 2HB MET 75 2HB MET 75 -7.491 -1.753 3.247 573 1HG MET 75 1HG MET 75 -5.457 -1.578 5.459 574 2HG MET 75 2HG MET 75 -5.852 -0.281 4.366 575 1HE MET 75 1HE MET 75 -8.097 0.861 4.194 576 2HE MET 75 2HE MET 75 -8.866 1.405 5.701 577 3HE MET 75 3HE MET 75 -7.134 1.706 5.417 578 H ALA 76 H ALA 76 -6.988 -5.724 2.970 579 HA ALA 76 HA ALA 76 -8.273 -6.919 1.567 580 1HB ALA 76 1HB ALA 76 -10.279 -6.671 3.135 581 2HB ALA 76 2HB ALA 76 -10.735 -5.242 2.175 582 3HB ALA 76 3HB ALA 76 -10.647 -6.825 1.409 583 H ASP 77 H ASP 77 -8.976 -6.723 -0.635 584 HA ASP 77 HA ASP 77 -7.817 -4.573 -2.071 585 1HB ASP 77 1HB ASP 77 -8.744 -7.100 -2.597 586 2HB ASP 77 2HB ASP 77 -10.002 -6.166 -3.318 587 H SER 78 H SER 78 -11.116 -5.275 -0.962 588 HA SER 78 HA SER 78 -12.373 -3.240 -2.570 589 1HB SER 78 1HB SER 78 -13.283 -4.355 0.121 590 2HB SER 78 2HB SER 78 -14.255 -3.258 -0.875 591 HG SER 78 HG SER 78 -14.021 -5.879 -1.050 592 H ASP 79 H ASP 79 -10.503 -2.962 0.355 593 HA ASP 79 HA ASP 79 -11.301 -0.067 0.525 594 1HB ASP 79 1HB ASP 79 -10.617 -1.738 2.607 595 2HB ASP 79 2HB ASP 79 -9.120 -0.847 2.305 596 H PHE 80 H PHE 80 -8.304 -2.051 0.202 597 HA PHE 80 HA PHE 80 -6.533 0.035 -0.294 598 1HB PHE 80 1HB PHE 80 -6.571 -2.814 -1.320 599 2HB PHE 80 2HB PHE 80 -5.280 -1.711 -1.726 600 HD1 PHE 80 HD1 PHE 80 -4.165 -0.444 0.433 601 HD2 PHE 80 HD2 PHE 80 -6.053 -4.307 0.363 602 HE1 PHE 80 HE1 PHE 80 -2.657 -1.211 2.230 603 HE2 PHE 80 HE2 PHE 80 -4.478 -5.113 2.077 604 HZ PHE 80 HZ PHE 80 -2.746 -3.640 2.982 605 H LEU 81 H LEU 81 -8.291 -1.839 -2.911 606 HA LEU 81 HA LEU 81 -7.154 -0.381 -5.074 607 1HB LEU 81 1HB LEU 81 -8.495 -2.459 -5.287 608 2HB LEU 81 2HB LEU 81 -9.934 -1.626 -4.783 609 HG LEU 81 HG LEU 81 -9.955 -0.221 -6.757 610 1HD1 LEU 81 1HD1 LEU 81 -7.400 -1.651 -7.636 611 2HD1 LEU 81 2HD1 LEU 81 -8.387 -0.534 -8.616 612 3HD1 LEU 81 3HD1 LEU 81 -7.547 0.072 -7.211 613 1HD2 LEU 81 1HD2 LEU 81 -10.977 -2.457 -6.865 614 2HD2 LEU 81 2HD2 LEU 81 -10.352 -1.969 -8.450 615 3HD2 LEU 81 3HD2 LEU 81 -9.441 -3.138 -7.453 616 H ALA 82 H ALA 82 -10.240 -0.010 -3.429 617 HA ALA 82 HA ALA 82 -11.119 2.283 -4.835 618 1HB ALA 82 3HB ALA 82 -12.785 2.564 -3.114 619 2HB ALA 82 1HB ALA 82 -12.534 0.832 -3.367 620 3HB ALA 82 2HB ALA 82 -11.824 1.629 -1.947 621 H LEU 83 H LEU 83 -9.181 2.104 -1.898 622 HA LEU 83 HA LEU 83 -9.019 4.779 -1.086 623 1HB LEU 83 1HB LEU 83 -8.371 2.876 0.208 624 2HB LEU 83 2HB LEU 83 -7.116 2.411 -0.862 625 HG LEU 83 HG LEU 83 -6.826 5.123 0.261 626 1HD1 LEU 83 1HD1 LEU 83 -6.493 2.565 1.904 627 2HD1 LEU 83 2HD1 LEU 83 -5.877 4.166 2.387 628 3HD1 LEU 83 3HD1 LEU 83 -7.631 3.897 2.234 629 1HD2 LEU 83 1HD2 LEU 83 -5.086 4.134 -1.221 630 2HD2 LEU 83 2HD2 LEU 83 -4.487 4.509 0.391 631 3HD2 LEU 83 3HD2 LEU 83 -4.854 2.816 -0.046 632 H MET 84 H MET 84 -6.683 2.940 -3.142 633 HA MET 84 HA MET 84 -5.391 5.408 -3.900 634 1HB MET 84 1HB MET 84 -4.060 3.931 -5.398 635 2HB MET 84 2HB MET 84 -3.954 3.713 -3.669 636 1HG MET 84 1HG MET 84 -5.830 1.815 -4.657 637 2HG MET 84 2HG MET 84 -4.426 1.786 -5.681 638 1HE MET 84 1HE MET 84 -2.067 2.490 -4.146 639 2HE MET 84 2HE MET 84 -1.672 1.607 -2.670 640 3HE MET 84 3HE MET 84 -1.588 0.799 -4.231 641 H THR 85 H THR 85 -7.952 3.538 -5.437 642 HA THR 85 HA THR 85 -7.653 4.678 -7.988 643 HB THR 85 HB THR 85 -9.776 3.161 -6.477 644 HG1 THR 85 HG1 THR 85 -9.121 1.898 -8.590 645 1HG2 THR 85 1HG2 THR 85 -11.167 4.447 -7.977 646 2HG2 THR 85 2HG2 THR 85 -10.170 3.915 -9.370 647 3HG2 THR 85 3HG2 THR 85 -11.111 2.743 -8.396 648 H GLY 86 H GLY 86 -8.933 6.321 -5.209 649 1HA GLY 86 1HA GLY 86 -9.957 8.460 -5.141 650 2HA GLY 86 2HA GLY 86 -10.016 8.489 -6.909 651 H LYS 87 H LYS 87 -11.185 6.365 -4.330 652 HA LYS 87 HA LYS 87 -14.002 6.613 -5.181 653 1HB LYS 87 1HB LYS 87 -12.915 4.759 -6.486 654 2HB LYS 87 2HB LYS 87 -12.625 3.910 -4.975 655 1HG LYS 87 1HG LYS 87 -15.020 3.668 -4.613 656 2HG LYS 87 2HG LYS 87 -15.390 4.761 -5.962 657 1HD LYS 87 1HD LYS 87 -14.530 3.212 -7.582 658 2HD LYS 87 2HD LYS 87 -13.865 2.140 -6.333 659 1HE LYS 87 1HE LYS 87 -15.977 1.317 -5.704 660 2HE LYS 87 2HE LYS 87 -16.804 2.773 -6.277 661 1HZ LYS 87 1HZ LYS 87 -16.380 2.119 -8.519 662 2HZ LYS 87 2HZ LYS 87 -15.708 0.684 -8.061 663 3HZ LYS 87 3HZ LYS 87 -17.304 1.032 -7.734 664 H MET 88 H MET 88 -11.592 5.478 -2.897 665 HA MET 88 HA MET 88 -11.460 5.195 -0.717 666 1HB MET 88 2HB MET 88 -12.797 6.460 0.836 667 2HB MET 88 1HB MET 88 -14.019 6.815 -0.380 668 1HG MET 88 1HG MET 88 -11.186 7.639 -0.902 669 2HG MET 88 2HG MET 88 -12.673 8.359 -1.484 670 1HE MET 88 1HE MET 88 -11.258 10.670 -1.029 671 2HE MET 88 2HE MET 88 -10.660 11.137 0.578 672 3HE MET 88 3HE MET 88 -9.938 9.751 -0.271 673 H ASN 89 H ASN 89 -12.460 4.119 1.224 674 HA ASN 89 HA ASN 89 -15.156 3.348 0.972 675 1HB ASN 89 1HB ASN 89 -13.128 1.214 0.736 676 2HB ASN 89 2HB ASN 89 -14.119 1.008 2.171 677 2HD2 ASN 89 1HD2 ASN 89 -14.055 -0.608 -0.383 678 1HD2 ASN 89 2HD2 ASN 89 -15.764 -0.698 -0.791 679 HA PRO 90 HA PRO 90 -14.796 4.612 5.198 680 1HB PRO 90 1HB PRO 90 -16.488 2.389 6.162 681 2HB PRO 90 2HB PRO 90 -16.782 4.121 6.273 682 1HG PRO 90 1HG PRO 90 -18.142 2.478 4.511 683 2HG PRO 90 2HG PRO 90 -17.813 4.210 4.176 684 1HD PRO 90 1HD PRO 90 -16.447 1.759 3.121 685 2HD PRO 90 2HD PRO 90 -16.800 3.315 2.312 686 H GLN 91 H GLN 91 -13.200 4.246 6.496 687 HA GLN 91 HA GLN 91 -11.101 2.787 6.125 688 1HB GLN 91 1HB GLN 91 -11.756 4.650 7.827 689 2HB GLN 91 2HB GLN 91 -11.914 3.362 8.994 690 1HG GLN 91 1HG GLN 91 -9.562 2.825 8.805 691 2HG GLN 91 2HG GLN 91 -9.373 3.875 7.387 692 2HE2 GLN 91 1HE2 GLN 91 -10.090 6.218 7.746 693 1HE2 GLN 91 2HE2 GLN 91 -9.778 7.004 9.282 694 H SER 92 H SER 92 -11.260 0.637 5.554 695 HA SER 92 HA SER 92 -12.722 -1.271 6.638 696 1HB SER 92 1HB SER 92 -11.766 -2.341 4.968 697 2HB SER 92 2HB SER 92 -10.431 -1.198 4.946 698 HG SER 92 HG SER 92 -9.809 -3.284 5.106 699 H ALA 93 H ALA 93 -9.280 -0.812 7.946 700 HA ALA 93 HA ALA 93 -9.428 -2.558 9.947 701 1HB ALA 93 2HB ALA 93 -8.346 0.268 10.359 702 2HB ALA 93 3HB ALA 93 -7.722 -1.260 11.015 703 3HB ALA 93 1HB ALA 93 -7.601 -0.902 9.268 704 H PHE 94 H PHE 94 -11.550 0.202 9.932 705 HA PHE 94 HA PHE 94 -12.210 -0.046 12.799 706 1HB PHE 94 1HB PHE 94 -12.109 2.201 11.838 707 2HB PHE 94 2HB PHE 94 -13.282 1.768 10.614 708 HD1 PHE 94 HD1 PHE 94 -13.977 0.519 14.062 709 HD2 PHE 94 HD2 PHE 94 -14.513 3.773 11.253 710 HE1 PHE 94 HE1 PHE 94 -15.807 1.417 15.433 711 HE2 PHE 94 HE2 PHE 94 -16.310 4.685 12.673 712 HZ PHE 94 HZ PHE 94 -16.971 3.508 14.766 713 H PHE 95 H PHE 95 -14.091 -0.004 9.718 714 HA PHE 95 HA PHE 95 -16.347 -1.257 10.830 715 1HB PHE 95 1HB PHE 95 -16.385 0.184 8.882 716 2HB PHE 95 2HB PHE 95 -15.382 -0.927 7.967 717 HD1 PHE 95 HD1 PHE 95 -18.779 -0.495 9.494 718 HD2 PHE 95 HD2 PHE 95 -16.329 -2.744 6.738 719 HE1 PHE 95 HE1 PHE 95 -20.818 -1.513 8.467 720 HE2 PHE 95 HE2 PHE 95 -18.348 -3.785 5.785 721 HZ PHE 95 HZ PHE 95 -20.603 -3.167 6.646 722 H GLN 96 H GLN 96 -13.662 -2.755 9.017 723 HA GLN 96 HA GLN 96 -14.918 -5.390 8.776 724 1HB GLN 96 1HB GLN 96 -12.093 -4.257 8.327 725 2HB GLN 96 2HB GLN 96 -12.402 -5.933 8.317 726 1HG GLN 96 1HG GLN 96 -14.293 -4.554 6.543 727 2HG GLN 96 2HG GLN 96 -12.605 -4.270 6.113 728 2HE2 GLN 96 1HE2 GLN 96 -11.201 -6.365 6.375 729 1HE2 GLN 96 2HE2 GLN 96 -11.892 -7.829 5.667 730 H GLY 97 H GLY 97 -13.451 -3.686 11.404 731 1HA GLY 97 1HA GLY 97 -12.543 -4.240 13.396 732 2HA GLY 97 2HA GLY 97 -13.289 -5.820 13.224 733 H LYS 98 H LYS 98 -11.407 -5.862 10.618 734 HA LYS 98 HA LYS 98 -9.856 -7.864 11.511 735 1HB LYS 98 1HB LYS 98 -10.146 -6.243 9.035 736 2HB LYS 98 2HB LYS 98 -8.631 -7.090 9.107 737 1HG LYS 98 1HG LYS 98 -11.242 -8.542 9.757 738 2HG LYS 98 2HG LYS 98 -10.744 -8.271 8.089 739 1HD LYS 98 1HD LYS 98 -8.609 -9.416 8.457 740 2HD LYS 98 2HD LYS 98 -8.939 -9.589 10.176 741 1HE LYS 98 1HE LYS 98 -10.472 -10.977 7.934 742 2HE LYS 98 2HE LYS 98 -9.217 -11.697 8.944 743 1HZ LYS 98 1HZ LYS 98 -10.725 -11.067 10.869 744 2HZ LYS 98 2HZ LYS 98 -11.907 -10.866 9.725 745 3HZ LYS 98 3HZ LYS 98 -11.213 -12.319 9.892 746 H LEU 99 H LEU 99 -8.956 -4.867 12.443 747 HA LEU 99 HA LEU 99 -7.070 -3.846 13.130 748 1HB LEU 99 1HB LEU 99 -7.125 -5.656 14.730 749 2HB LEU 99 2HB LEU 99 -6.257 -6.719 13.628 750 HG LEU 99 HG LEU 99 -4.243 -5.250 13.780 751 1HD1 LEU 99 1HD1 LEU 99 -5.363 -3.092 14.366 752 2HD1 LEU 99 2HD1 LEU 99 -5.827 -3.783 15.938 753 3HD1 LEU 99 3HD1 LEU 99 -4.115 -3.533 15.518 754 1HD2 LEU 99 1HD2 LEU 99 -4.547 -7.208 15.283 755 2HD2 LEU 99 2HD2 LEU 99 -3.608 -5.913 16.032 756 3HD2 LEU 99 3HD2 LEU 99 -5.309 -6.154 16.488 757 H LYS 100 H LYS 100 -6.425 -2.800 11.250 758 HA LYS 100 HA LYS 100 -4.401 -3.965 9.499 759 1HB LYS 100 1HB LYS 100 -4.276 -1.795 8.523 760 2HB LYS 100 2HB LYS 100 -5.908 -2.025 8.908 761 1HG LYS 100 1HG LYS 100 -5.611 -0.613 11.019 762 2HG LYS 100 2HG LYS 100 -3.900 -0.514 10.676 763 1HD LYS 100 1HD LYS 100 -4.681 0.607 8.418 764 2HD LYS 100 2HD LYS 100 -6.116 1.009 9.352 765 1HE LYS 100 1HE LYS 100 -3.223 1.572 10.185 766 2HE LYS 100 2HE LYS 100 -4.282 2.749 9.405 767 1HZ LYS 100 1HZ LYS 100 -4.803 1.525 12.057 768 2HZ LYS 100 2HZ LYS 100 -4.202 3.024 11.808 769 3HZ LYS 100 3HZ LYS 100 -5.717 2.696 11.339 770 H ILE 101 H ILE 101 -2.197 -2.641 9.630 771 HA ILE 101 HA ILE 101 -1.333 -2.455 12.433 772 HB ILE 101 HB ILE 101 -0.366 -4.283 10.281 773 1HG1 ILE 101 1HG1 ILE 101 -0.285 -5.690 12.698 774 2HG1 ILE 101 2HG1 ILE 101 -1.622 -4.586 12.958 775 1HG2 ILE 101 1HG2 ILE 101 1.365 -3.603 12.643 776 2HG2 ILE 101 2HG2 ILE 101 1.534 -5.067 11.652 777 3HG2 ILE 101 3HG2 ILE 101 1.727 -3.515 10.881 778 1HD1 ILE 101 1HD1 ILE 101 -2.552 -5.464 10.715 779 2HD1 ILE 101 2HD1 ILE 101 -1.279 -6.689 10.799 780 3HD1 ILE 101 3HD1 ILE 101 -2.494 -6.602 12.083 781 H THR 102 H THR 102 1.389 -1.959 11.668 782 HA THR 102 HA THR 102 2.741 -0.183 11.391 783 HB THR 102 HB THR 102 2.627 0.794 9.041 784 HG1 THR 102 HG1 THR 102 0.261 0.086 8.901 785 1HG2 THR 102 1HG2 THR 102 3.957 -1.272 9.675 786 2HG2 THR 102 2HG2 THR 102 2.536 -2.260 9.231 787 3HG2 THR 102 3HG2 THR 102 3.358 -1.302 8.008 788 H GLY 103 H GLY 103 2.629 2.415 10.304 789 1HA GLY 103 1HA GLY 103 0.740 4.168 10.600 790 2HA GLY 103 2HA GLY 103 0.864 3.719 12.303 791 H ASN 104 H ASN 104 1.859 5.936 10.146 792 HA ASN 104 HA ASN 104 4.125 6.812 11.853 793 1HB ASN 104 1HB ASN 104 4.648 6.975 9.438 794 2HB ASN 104 2HB ASN 104 3.221 8.007 9.196 795 2HD2 ASN 104 1HD2 ASN 104 6.218 7.740 11.190 796 1HD2 ASN 104 2HD2 ASN 104 6.462 9.463 11.364 797 H MET 105 H MET 105 1.186 8.097 10.204 798 HA MET 105 HA MET 105 -0.091 8.997 12.523 799 1HB MET 105 1HB MET 105 1.785 10.723 12.442 800 2HB MET 105 2HB MET 105 1.114 11.332 10.948 801 1HG MET 105 1HG MET 105 -0.779 12.187 12.024 802 2HG MET 105 2HG MET 105 -0.727 10.977 13.306 803 1HE MET 105 1HE MET 105 1.909 10.904 14.652 804 2HE MET 105 2HE MET 105 1.796 12.187 15.866 805 3HE MET 105 3HE MET 105 0.398 11.146 15.546 806 H GLY 106 H GLY 106 -1.573 7.654 11.103 807 1HA GLY 106 1HA GLY 106 -3.583 7.619 10.002 808 2HA GLY 106 2HA GLY 106 -3.441 9.338 9.688 809 H LEU 107 H LEU 107 -2.090 6.172 8.566 810 HA LEU 107 HA LEU 107 -1.497 7.359 5.943 811 1HB LEU 107 2HB LEU 107 0.355 6.235 7.007 812 2HB LEU 107 1HB LEU 107 -0.051 5.669 5.431 813 HG LEU 107 HG LEU 107 -0.657 3.561 6.068 814 1HD1 LEU 107 1HD1 LEU 107 1.767 4.019 6.376 815 2HD1 LEU 107 2HD1 LEU 107 1.485 4.381 8.088 816 3HD1 LEU 107 3HD1 LEU 107 1.209 2.746 7.454 817 1HD2 LEU 107 1HD2 LEU 107 -2.266 4.014 7.898 818 2HD2 LEU 107 2HD2 LEU 107 -1.147 2.702 8.261 819 3HD2 LEU 107 3HD2 LEU 107 -0.902 4.279 9.014 820 H ALA 108 H ALA 108 -4.327 7.041 6.423 821 HA ALA 108 HA ALA 108 -4.939 4.804 4.540 822 1HB ALA 108 2HB ALA 108 -7.273 5.439 4.745 823 2HB ALA 108 3HB ALA 108 -6.561 4.980 6.287 824 3HB ALA 108 1HB ALA 108 -6.850 6.706 5.920 825 H MET 109 H MET 109 -6.126 8.211 4.504 826 HA MET 109 HA MET 109 -5.248 8.406 1.649 827 1HB MET 109 1HB MET 109 -8.007 8.769 2.866 828 2HB MET 109 2HB MET 109 -7.559 9.449 1.290 829 1HG MET 109 1HG MET 109 -6.889 7.298 0.444 830 2HG MET 109 2HG MET 109 -7.231 6.525 1.992 831 1HE MET 109 1HE MET 109 -9.438 5.998 2.972 832 2HE MET 109 2HE MET 109 -10.083 7.652 2.888 833 3HE MET 109 3HE MET 109 -11.026 6.303 2.234 834 H LYS 110 H LYS 110 -4.147 9.500 4.163 835 HA LYS 110 HA LYS 110 -4.496 12.421 3.933 836 1HB LYS 110 1HB LYS 110 -3.894 11.204 6.047 837 2HB LYS 110 2HB LYS 110 -2.336 10.771 5.322 838 1HG LYS 110 1HG LYS 110 -1.753 13.145 5.089 839 2HG LYS 110 2HG LYS 110 -3.333 13.632 5.718 840 1HD LYS 110 1HD LYS 110 -1.264 12.007 7.271 841 2HD LYS 110 2HD LYS 110 -1.505 13.756 7.400 842 1HE LYS 110 1HE LYS 110 -3.926 13.302 8.002 843 2HE LYS 110 2HE LYS 110 -3.526 11.575 8.105 844 1HZ LYS 110 1HZ LYS 110 -2.330 13.749 9.681 845 2HZ LYS 110 2HZ LYS 110 -3.458 12.667 10.231 846 3HZ LYS 110 3HZ LYS 110 -1.945 12.127 9.821 847 H LEU 111 H LEU 111 -2.282 9.885 2.924 848 HA LEU 111 HA LEU 111 -0.301 11.493 1.704 849 1HB LEU 111 1HB LEU 111 0.437 9.291 0.804 850 2HB LEU 111 2HB LEU 111 0.346 9.395 2.532 851 HG LEU 111 HG LEU 111 -0.453 7.287 1.169 852 1HD1 LEU 111 1HD1 LEU 111 -0.299 7.345 3.504 853 2HD1 LEU 111 2HD1 LEU 111 -1.839 8.218 3.649 854 3HD1 LEU 111 3HD1 LEU 111 -1.803 6.562 3.023 855 1HD2 LEU 111 1HD2 LEU 111 -2.231 8.324 -0.204 856 2HD2 LEU 111 2HD2 LEU 111 -2.845 7.039 0.812 857 3HD2 LEU 111 3HD2 LEU 111 -3.135 8.718 1.268 858 H GLN 112 H GLN 112 0.335 11.355 -0.540 859 HA GLN 112 HA GLN 112 -2.010 12.043 -2.196 860 1HB GLN 112 1HB GLN 112 0.520 13.539 -2.446 861 2HB GLN 112 2HB GLN 112 -1.133 14.063 -2.807 862 1HG GLN 112 1HG GLN 112 -1.505 14.228 -0.316 863 2HG GLN 112 2HG GLN 112 0.184 13.761 -0.052 864 2HE2 GLN 112 1HE2 GLN 112 0.756 15.513 -2.714 865 1HE2 GLN 112 2HE2 GLN 112 1.044 17.040 -1.920 866 H ASN 113 H ASN 113 1.371 11.006 -2.402 867 HA ASN 113 HA ASN 113 0.824 9.925 -5.149 868 1HB ASN 113 1HB ASN 113 3.500 10.564 -3.818 869 2HB ASN 113 2HB ASN 113 3.300 9.615 -5.294 870 2HD2 ASN 113 1HD2 ASN 113 3.774 12.772 -4.122 871 1HD2 ASN 113 2HD2 ASN 113 3.508 13.594 -5.643 872 H LEU 114 H LEU 114 1.851 9.146 -1.863 873 HA LEU 114 HA LEU 114 2.623 6.417 -2.552 874 1HB LEU 114 1HB LEU 114 3.171 8.029 -0.453 875 2HB LEU 114 2HB LEU 114 1.797 7.202 0.252 876 HG LEU 114 HG LEU 114 4.096 5.621 -0.933 877 1HD1 LEU 114 1HD1 LEU 114 5.042 7.359 0.602 878 2HD1 LEU 114 2HD1 LEU 114 3.995 6.755 1.897 879 3HD1 LEU 114 3HD1 LEU 114 5.264 5.718 1.198 880 1HD2 LEU 114 1HD2 LEU 114 2.120 5.038 1.309 881 2HD2 LEU 114 2HD2 LEU 114 2.247 4.233 -0.277 882 3HD2 LEU 114 3HD2 LEU 114 3.523 4.034 0.933 883 H GLN 115 H GLN 115 0.999 5.128 -3.347 884 HA GLN 115 HA GLN 115 -0.858 3.953 -3.457 885 1HB GLN 115 2HB GLN 115 -2.575 3.777 -1.780 886 2HB GLN 115 1HB GLN 115 -2.136 5.306 -1.052 887 1HG GLN 115 1HG GLN 115 -0.526 2.724 -0.924 888 2HG GLN 115 2HG GLN 115 0.010 4.267 -0.259 889 2HE2 GLN 115 1HE2 GLN 115 -2.063 5.324 1.072 890 1HE2 GLN 115 2HE2 GLN 115 -2.577 4.247 2.349 891 H LEU 116 H LEU 116 -0.325 6.125 -5.002 892 HA LEU 116 HA LEU 116 -1.129 7.744 -6.280 893 1HB LEU 116 1HB LEU 116 -3.608 6.013 -6.150 894 2HB LEU 116 2HB LEU 116 -3.461 7.343 -7.285 895 HG LEU 116 HG LEU 116 -1.631 5.002 -7.154 896 1HD1 LEU 116 1HD1 LEU 116 -3.886 4.391 -7.934 897 2HD1 LEU 116 2HD1 LEU 116 -3.780 5.616 -9.209 898 3HD1 LEU 116 3HD1 LEU 116 -2.693 4.208 -9.222 899 1HD2 LEU 116 1HD2 LEU 116 -1.595 7.414 -8.932 900 2HD2 LEU 116 2HD2 LEU 116 -0.249 6.585 -8.093 901 3HD2 LEU 116 3HD2 LEU 116 -0.973 5.877 -9.522 902 H GLN 117 H GLN 117 -3.402 9.014 -6.683 903 HA GLN 117 HA GLN 117 -3.430 10.767 -4.326 904 1HB GLN 117 2HB GLN 117 -3.743 12.487 -5.660 905 2HB GLN 117 1HB GLN 117 -4.683 11.657 -6.865 906 1HG GLN 117 1HG GLN 117 -1.753 10.953 -6.754 907 2HG GLN 117 2HG GLN 117 -2.859 11.051 -8.127 908 2HE2 GLN 117 1HE2 GLN 117 -1.065 12.922 -5.710 909 1HE2 GLN 117 2HE2 GLN 117 -0.961 14.438 -6.623 910 HA PRO 118 HA PRO 118 -7.644 9.124 -3.766 911 1HB PRO 118 1HB PRO 118 -8.107 10.163 -1.256 912 2HB PRO 118 2HB PRO 118 -7.143 8.687 -1.552 913 1HG PRO 118 2HG PRO 118 -5.562 10.001 -0.357 914 2HG PRO 118 1HG PRO 118 -6.177 11.518 -1.092 915 1HD PRO 118 1HD PRO 118 -4.361 11.189 -2.492 916 2HD PRO 118 2HD PRO 118 -4.399 9.418 -2.303 917 H GLY 119 H GLY 119 -9.787 10.284 -3.183 918 1HA GLY 119 1HA GLY 119 -11.138 12.230 -3.067 919 2HA GLY 119 2HA GLY 119 -9.788 13.220 -3.626 920 H ASN 120 H ASN 120 -12.465 11.225 -4.552 921 HA ASN 120 HA ASN 120 -11.830 10.377 -7.061 922 1HB ASN 120 2HB ASN 120 -13.767 9.594 -5.840 923 2HB ASN 120 1HB ASN 120 -14.138 10.030 -7.501 924 2HD2 ASN 120 1HD2 ASN 120 -15.974 11.235 -7.807 925 1HD2 ASN 120 2HD2 ASN 120 -16.871 11.987 -6.507 926 H ALA 121 H ALA 121 -11.382 11.179 -8.879 927 HA ALA 121 HA ALA 121 -10.806 13.901 -9.105 928 1HB ALA 121 2HB ALA 121 -10.758 11.707 -11.232 929 2HB ALA 121 1HB ALA 121 -9.468 12.020 -10.045 930 3HB ALA 121 3HB ALA 121 -9.848 13.225 -11.285 931 H LYS 122 H LYS 122 -11.194 15.196 -11.130 932 HA LYS 122 HA LYS 122 -14.023 15.083 -12.085 933 1HB LYS 122 1HB LYS 122 -11.801 17.141 -12.274 934 2HB LYS 122 2HB LYS 122 -13.064 17.070 -13.478 935 1HG LYS 122 1HG LYS 122 -13.581 18.738 -11.817 936 2HG LYS 122 2HG LYS 122 -14.810 17.484 -11.836 937 1HD LYS 122 1HD LYS 122 -12.533 17.360 -9.835 938 2HD LYS 122 2HD LYS 122 -13.904 18.444 -9.557 939 1HE LYS 122 1HE LYS 122 -15.477 16.650 -9.517 940 2HE LYS 122 2HE LYS 122 -14.323 15.496 -10.149 941 1HZ LYS 122 1HZ LYS 122 -13.297 16.583 -7.777 942 2HZ LYS 122 2HZ LYS 122 -14.827 16.007 -7.514 943 3HZ LYS 122 3HZ LYS 122 -13.703 15.011 -8.114 944 H LEU 123 H LEU 123 -14.393 14.297 -14.013 945 HA LEU 123 HA LEU 123 -14.237 13.286 -15.994 946 1HB LEU 123 1HB LEU 123 -11.925 14.648 -16.268 947 2HB LEU 123 2HB LEU 123 -11.259 13.034 -16.016 948 HG LEU 123 HG LEU 123 -12.995 12.325 -17.879 949 1HD1 LEU 123 1HD1 LEU 123 -14.170 14.546 -17.868 950 2HD1 LEU 123 2HD1 LEU 123 -12.699 15.292 -18.483 951 3HD1 LEU 123 3HD1 LEU 123 -13.554 14.083 -19.471 952 1HD2 LEU 123 1HD2 LEU 123 -10.543 12.266 -18.164 953 2HD2 LEU 123 2HD2 LEU 123 -11.355 12.822 -19.634 954 3HD2 LEU 123 3HD2 LEU 123 -10.543 13.995 -18.568 No H/Q in entry = 954 Start of MODEL 15 1 H SER 1 H SER 1 -3.734 -19.430 1.532 2 HA SER 1 HA SER 1 -1.059 -18.418 1.710 3 1HB SER 1 2HB SER 1 0.200 -20.397 1.380 4 2HB SER 1 1HB SER 1 -1.230 -21.369 1.025 5 HG SER 1 HG SER 1 -1.829 -21.321 3.116 6 H SER 2 H SER 2 -1.244 -17.222 -0.242 7 HA SER 2 HA SER 2 -1.249 -18.868 -2.617 8 1HB SER 2 1HB SER 2 -3.723 -18.221 -2.176 9 2HB SER 2 2HB SER 2 -3.254 -16.587 -2.662 10 HG SER 2 HG SER 2 -2.852 -17.319 -4.677 11 H ALA 3 H ALA 3 0.598 -18.253 -3.484 12 HA ALA 3 HA ALA 3 1.474 -15.452 -3.650 13 1HB ALA 3 1HB ALA 3 3.129 -17.293 -3.509 14 2HB ALA 3 3HB ALA 3 3.277 -16.407 -5.023 15 3HB ALA 3 2HB ALA 3 2.477 -18.001 -5.001 16 H SER 4 H SER 4 -0.877 -15.069 -4.426 17 HA SER 4 HA SER 4 -1.548 -15.841 -7.138 18 1HB SER 4 1HB SER 4 -3.189 -15.333 -5.233 19 2HB SER 4 2HB SER 4 -2.937 -13.621 -5.633 20 HG SER 4 HG SER 4 -3.597 -14.227 -7.823 21 H ASP 5 H ASP 5 -1.241 -12.534 -5.817 22 HA ASP 5 HA ASP 5 -0.357 -10.585 -6.772 23 1HB ASP 5 2HB ASP 5 1.868 -10.719 -6.727 24 2HB ASP 5 1HB ASP 5 1.955 -12.301 -7.521 25 H GLY 6 H GLY 6 -2.243 -11.279 -8.472 26 1HA GLY 6 1HA GLY 6 -1.166 -10.444 -11.097 27 2HA GLY 6 2HA GLY 6 -1.994 -11.998 -11.010 28 H PHE 7 H PHE 7 -3.101 -9.348 -8.940 29 HA PHE 7 HA PHE 7 -5.734 -9.302 -10.297 30 1HB PHE 7 2HB PHE 7 -6.408 -7.997 -8.366 31 2HB PHE 7 1HB PHE 7 -4.755 -7.671 -7.933 32 HD1 PHE 7 HD1 PHE 7 -5.838 -11.120 -8.873 33 HD2 PHE 7 HD2 PHE 7 -4.994 -8.380 -5.652 34 HE1 PHE 7 HE1 PHE 7 -5.684 -13.013 -7.325 35 HE2 PHE 7 HE2 PHE 7 -4.741 -10.299 -4.114 36 HZ PHE 7 HZ PHE 7 -5.103 -12.623 -4.931 37 H LYS 8 H LYS 8 -6.693 -6.808 -10.419 38 HA LYS 8 HA LYS 8 -4.856 -5.519 -12.166 39 1HB LYS 8 1HB LYS 8 -7.427 -5.230 -12.192 40 2HB LYS 8 2HB LYS 8 -7.105 -3.860 -11.100 41 1HG LYS 8 1HG LYS 8 -5.571 -2.882 -12.729 42 2HG LYS 8 2HG LYS 8 -5.711 -4.305 -13.776 43 1HD LYS 8 1HD LYS 8 -8.032 -3.801 -14.270 44 2HD LYS 8 2HD LYS 8 -7.991 -2.420 -13.150 45 1HE LYS 8 1HE LYS 8 -6.168 -1.388 -14.477 46 2HE LYS 8 2HE LYS 8 -6.161 -2.766 -15.589 47 1HZ LYS 8 1HZ LYS 8 -8.465 -0.983 -15.147 48 2HZ LYS 8 2HZ LYS 8 -7.431 -0.817 -16.406 49 3HZ LYS 8 3HZ LYS 8 -8.393 -2.158 -16.272 50 H ALA 9 H ALA 9 -5.409 -5.271 -8.735 51 HA ALA 9 HA ALA 9 -4.037 -3.102 -7.889 52 1HB ALA 9 1HB ALA 9 -4.992 -4.844 -6.396 53 2HB ALA 9 3HB ALA 9 -3.337 -4.421 -5.948 54 3HB ALA 9 2HB ALA 9 -3.639 -5.929 -6.824 55 H ASN 10 H ASN 10 -2.592 -5.573 -9.856 56 HA ASN 10 HA ASN 10 0.074 -5.580 -8.988 57 1HB ASN 10 1HB ASN 10 -1.181 -6.923 -10.911 58 2HB ASN 10 2HB ASN 10 -0.573 -5.631 -11.948 59 2HD2 ASN 10 1HD2 ASN 10 0.075 -8.499 -10.220 60 1HD2 ASN 10 2HD2 ASN 10 1.797 -8.532 -10.202 61 H LEU 11 H LEU 11 -1.601 -3.306 -11.205 62 HA LEU 11 HA LEU 11 0.851 -1.758 -11.556 63 1HB LEU 11 1HB LEU 11 0.117 -1.318 -13.459 64 2HB LEU 11 2HB LEU 11 -1.141 -2.465 -13.229 65 HG LEU 11 HG LEU 11 -2.019 -0.621 -14.254 66 1HD1 LEU 11 1HD1 LEU 11 -3.455 -1.557 -12.408 67 2HD1 LEU 11 2HD1 LEU 11 -3.037 -0.101 -11.464 68 3HD1 LEU 11 3HD1 LEU 11 -3.861 0.050 -13.006 69 1HD2 LEU 11 1HD2 LEU 11 -0.175 0.950 -13.588 70 2HD2 LEU 11 2HD2 LEU 11 -1.799 1.660 -13.657 71 3HD2 LEU 11 3HD2 LEU 11 -1.063 1.269 -12.093 72 H VAL 12 H VAL 12 -2.131 -1.463 -9.718 73 HA VAL 12 HA VAL 12 -1.806 1.132 -8.687 74 HB VAL 12 HB VAL 12 -2.891 -1.422 -7.455 75 1HG1 VAL 12 1HG1 VAL 12 -3.117 1.355 -6.337 76 2HG1 VAL 12 2HG1 VAL 12 -4.032 -0.053 -5.759 77 3HG1 VAL 12 3HG1 VAL 12 -2.281 -0.012 -5.562 78 1HG2 VAL 12 1HG2 VAL 12 -4.203 -0.508 -9.365 79 2HG2 VAL 12 2HG2 VAL 12 -5.077 -0.345 -7.840 80 3HG2 VAL 12 3HG2 VAL 12 -4.283 1.068 -8.538 81 H PHE 13 H PHE 13 -0.418 -1.950 -7.291 82 HA PHE 13 HA PHE 13 1.142 -0.424 -5.383 83 1HB PHE 13 1HB PHE 13 1.488 -3.269 -6.378 84 2HB PHE 13 2HB PHE 13 2.330 -2.562 -5.004 85 HD1 PHE 13 HD1 PHE 13 0.379 -1.205 -3.378 86 HD2 PHE 13 HD2 PHE 13 -0.028 -4.867 -5.613 87 HE1 PHE 13 HE1 PHE 13 -1.445 -1.946 -1.854 88 HE2 PHE 13 HE2 PHE 13 -1.738 -5.651 -4.004 89 HZ PHE 13 HZ PHE 13 -2.530 -4.106 -2.183 90 H LYS 14 H LYS 14 1.597 -1.167 -8.754 91 HA LYS 14 HA LYS 14 4.473 -0.826 -8.710 92 1HB LYS 14 1HB LYS 14 2.996 -2.024 -10.308 93 2HB LYS 14 2HB LYS 14 2.713 -0.515 -11.132 94 1HG LYS 14 1HG LYS 14 5.078 -0.183 -11.649 95 2HG LYS 14 2HG LYS 14 5.573 -1.489 -10.611 96 1HD LYS 14 1HD LYS 14 3.773 -1.840 -13.075 97 2HD LYS 14 2HD LYS 14 5.510 -2.168 -13.055 98 1HE LYS 14 1HE LYS 14 5.257 -4.000 -11.493 99 2HE LYS 14 2HE LYS 14 3.592 -3.575 -11.135 100 1HZ LYS 14 1HZ LYS 14 3.132 -4.124 -13.537 101 2HZ LYS 14 2HZ LYS 14 4.600 -4.851 -13.542 102 3HZ LYS 14 3HZ LYS 14 3.453 -5.361 -12.476 103 H GLU 15 H GLU 15 1.704 1.320 -9.347 104 HA GLU 15 HA GLU 15 3.263 3.682 -9.821 105 1HB GLU 15 1HB GLU 15 0.636 3.101 -8.525 106 2HB GLU 15 2HB GLU 15 1.347 4.667 -8.130 107 1HG GLU 15 1HG GLU 15 0.863 3.591 -10.907 108 2HG GLU 15 2HG GLU 15 -0.174 4.694 -10.025 109 H ILE 16 H ILE 16 2.301 2.227 -6.677 110 HA ILE 16 HA ILE 16 3.672 4.059 -5.058 111 HB ILE 16 HB ILE 16 2.860 1.147 -4.621 112 1HG1 ILE 16 1HG1 ILE 16 1.527 3.725 -3.697 113 2HG1 ILE 16 2HG1 ILE 16 0.866 2.793 -5.014 114 1HG2 ILE 16 1HG2 ILE 16 4.703 1.814 -3.137 115 2HG2 ILE 16 2HG2 ILE 16 3.784 3.237 -2.620 116 3HG2 ILE 16 3HG2 ILE 16 3.229 1.589 -2.223 117 1HD1 ILE 16 1HD1 ILE 16 1.116 1.511 -2.299 118 2HD1 ILE 16 2HD1 ILE 16 -0.253 2.481 -2.833 119 3HD1 ILE 16 3HD1 ILE 16 0.183 1.026 -3.730 120 H GLU 17 H GLU 17 4.802 0.972 -6.521 121 HA GLU 17 HA GLU 17 7.536 1.182 -5.738 122 1HB GLU 17 1HB GLU 17 6.621 -0.892 -6.726 123 2HB GLU 17 2HB GLU 17 6.283 -0.039 -8.191 124 1HG GLU 17 1HG GLU 17 9.089 0.318 -7.772 125 2HG GLU 17 2HG GLU 17 8.738 -1.346 -7.420 126 H LYS 18 H LYS 18 5.971 2.402 -8.714 127 HA LYS 18 HA LYS 18 8.260 3.073 -9.981 128 1HB LYS 18 1HB LYS 18 6.161 2.994 -11.122 129 2HB LYS 18 2HB LYS 18 5.559 4.432 -10.276 130 1HG LYS 18 1HG LYS 18 7.190 5.845 -11.369 131 2HG LYS 18 2HG LYS 18 8.063 4.464 -12.029 132 1HD LYS 18 1HD LYS 18 5.205 5.229 -12.759 133 2HD LYS 18 2HD LYS 18 6.621 5.713 -13.684 134 1HE LYS 18 1HE LYS 18 5.682 2.845 -13.225 135 2HE LYS 18 2HE LYS 18 5.453 3.792 -14.686 136 1HZ LYS 18 1HZ LYS 18 7.904 3.855 -14.921 137 2HZ LYS 18 2HZ LYS 18 8.020 2.813 -13.624 138 3HZ LYS 18 3HZ LYS 18 7.249 2.354 -14.994 139 H LYS 19 H LYS 19 6.217 4.929 -7.768 140 HA LYS 19 HA LYS 19 7.595 7.407 -7.681 141 1HB LYS 19 1HB LYS 19 5.230 7.031 -7.022 142 2HB LYS 19 2HB LYS 19 5.758 6.026 -5.676 143 1HG LYS 19 1HG LYS 19 5.088 8.216 -4.886 144 2HG LYS 19 2HG LYS 19 6.812 7.968 -4.597 145 1HD LYS 19 1HD LYS 19 7.272 9.256 -6.698 146 2HD LYS 19 2HD LYS 19 5.553 9.660 -6.816 147 1HE LYS 19 1HE LYS 19 5.698 10.949 -4.746 148 2HE LYS 19 2HE LYS 19 7.269 10.228 -4.367 149 1HZ LYS 19 1HZ LYS 19 8.116 11.320 -6.417 150 2HZ LYS 19 2HZ LYS 19 6.745 12.206 -6.511 151 3HZ LYS 19 3HZ LYS 19 7.741 12.342 -5.212 152 H LEU 20 H LEU 20 8.135 4.318 -5.888 153 HA LEU 20 HA LEU 20 10.150 5.516 -4.209 154 1HB LEU 20 1HB LEU 20 8.780 2.929 -4.526 155 2HB LEU 20 2HB LEU 20 10.493 2.697 -4.365 156 HG LEU 20 HG LEU 20 9.615 4.735 -2.428 157 1HD1 LEU 20 1HD1 LEU 20 7.449 3.659 -2.708 158 2HD1 LEU 20 2HD1 LEU 20 8.165 2.098 -2.248 159 3HD1 LEU 20 3HD1 LEU 20 8.132 3.446 -1.080 160 1HD2 LEU 20 1HD2 LEU 20 11.674 3.320 -2.364 161 2HD2 LEU 20 2HD2 LEU 20 10.744 3.333 -0.864 162 3HD2 LEU 20 3HD2 LEU 20 10.632 1.929 -1.940 163 H GLU 21 H GLU 21 10.243 3.719 -7.271 164 HA GLU 21 HA GLU 21 13.014 3.643 -7.532 165 1HB GLU 21 1HB GLU 21 11.153 4.294 -9.838 166 2HB GLU 21 2HB GLU 21 12.782 3.669 -9.972 167 1HG GLU 21 1HG GLU 21 10.504 2.153 -8.634 168 2HG GLU 21 2HG GLU 21 10.891 2.041 -10.343 169 H GLU 22 H GLU 22 10.876 6.412 -8.416 170 HA GLU 22 HA GLU 22 12.964 7.896 -9.664 171 1HB GLU 22 1HB GLU 22 11.475 9.926 -9.275 172 2HB GLU 22 2HB GLU 22 10.965 8.667 -10.411 173 1HG GLU 22 1HG GLU 22 9.295 7.932 -9.082 174 2HG GLU 22 2HG GLU 22 10.135 8.364 -7.599 175 H GLU 23 H GLU 23 11.593 8.207 -6.368 176 HA GLU 23 HA GLU 23 14.108 9.140 -5.390 177 1HB GLU 23 1HB GLU 23 12.496 11.163 -6.467 178 2HB GLU 23 2HB GLU 23 12.093 11.215 -4.767 179 1HG GLU 23 1HG GLU 23 14.700 11.022 -4.393 180 2HG GLU 23 2HG GLU 23 14.836 11.306 -6.113 181 H GLY 24 H GLY 24 12.912 6.944 -4.815 182 1HA GLY 24 1HA GLY 24 11.136 6.689 -2.651 183 2HA GLY 24 2HA GLY 24 12.458 5.599 -2.976 184 H GLU 25 H GLU 25 14.421 8.052 -2.467 185 HA GLU 25 HA GLU 25 15.215 7.370 0.110 186 1HB GLU 25 1HB GLU 25 15.784 9.558 -1.777 187 2HB GLU 25 2HB GLU 25 15.927 10.059 -0.091 188 1HG GLU 25 1HG GLU 25 17.413 8.026 0.289 189 2HG GLU 25 2HG GLU 25 17.437 7.827 -1.466 190 H GLN 26 H GLN 26 13.159 10.260 -0.790 191 HA GLN 26 HA GLN 26 12.697 10.964 1.914 192 1HB GLN 26 1HB GLN 26 12.366 12.310 -0.269 193 2HB GLN 26 2HB GLN 26 10.735 11.612 -0.289 194 1HG GLN 26 1HG GLN 26 10.419 12.466 2.051 195 2HG GLN 26 2HG GLN 26 12.053 13.139 2.009 196 2HE2 GLN 26 1HE2 GLN 26 11.933 14.197 -0.736 197 1HE2 GLN 26 2HE2 GLN 26 10.904 15.595 -0.615 198 H PHE 27 H PHE 27 11.150 8.530 -0.109 199 HA PHE 27 HA PHE 27 8.708 8.325 1.483 200 1HB PHE 27 1HB PHE 27 9.931 7.117 -0.952 201 2HB PHE 27 2HB PHE 27 9.029 5.993 0.027 202 HD1 PHE 27 HD1 PHE 27 8.224 9.643 -0.403 203 HD2 PHE 27 HD2 PHE 27 7.242 5.598 -1.534 204 HE1 PHE 27 HE1 PHE 27 6.210 10.457 -1.563 205 HE2 PHE 27 HE2 PHE 27 5.259 6.417 -2.738 206 HZ PHE 27 HZ PHE 27 4.711 8.863 -2.719 207 H VAL 28 H VAL 28 11.901 6.722 1.329 208 HA VAL 28 HA VAL 28 11.555 4.878 3.461 209 HB VAL 28 HB VAL 28 13.950 6.322 2.294 210 1HG1 VAL 28 1HG1 VAL 28 13.966 4.467 4.668 211 2HG1 VAL 28 2HG1 VAL 28 15.370 4.658 3.591 212 3HG1 VAL 28 3HG1 VAL 28 14.761 6.060 4.443 213 1HG2 VAL 28 1HG2 VAL 28 12.853 4.445 1.006 214 2HG2 VAL 28 2HG2 VAL 28 14.580 4.302 1.372 215 3HG2 VAL 28 3HG2 VAL 28 13.433 3.362 2.308 216 H LYS 29 H LYS 29 12.364 8.425 3.494 217 HA LYS 29 HA LYS 29 12.448 8.432 6.399 218 1HB LYS 29 1HB LYS 29 12.284 10.586 4.295 219 2HB LYS 29 2HB LYS 29 11.979 10.996 5.967 220 1HG LYS 29 1HG LYS 29 14.549 9.599 5.132 221 2HG LYS 29 2HG LYS 29 14.326 11.342 5.044 222 1HD LYS 29 2HD LYS 29 13.621 11.204 7.559 223 2HD LYS 29 1HD LYS 29 15.322 11.200 7.094 224 1HE LYS 29 1HE LYS 29 13.800 8.625 7.585 225 2HE LYS 29 2HE LYS 29 15.545 8.839 7.396 226 1HZ LYS 29 1HZ LYS 29 13.919 9.956 9.597 227 2HZ LYS 29 2HZ LYS 29 14.753 8.550 9.705 228 3HZ LYS 29 3HZ LYS 29 15.560 9.974 9.521 229 H LYS 30 H LYS 30 9.711 8.761 4.147 230 HA LYS 30 HA LYS 30 7.977 9.821 6.149 231 1HB LYS 30 1HB LYS 30 7.391 8.418 3.518 232 2HB LYS 30 2HB LYS 30 6.110 8.971 4.607 233 1HG LYS 30 1HG LYS 30 7.071 11.269 4.594 234 2HG LYS 30 2HG LYS 30 8.287 10.747 3.438 235 1HD LYS 30 1HD LYS 30 6.429 10.154 1.830 236 2HD LYS 30 2HD LYS 30 5.280 10.888 2.980 237 1HE LYS 30 1HE LYS 30 6.596 13.033 2.864 238 2HE LYS 30 2HE LYS 30 7.709 12.262 1.737 239 1HZ LYS 30 1HZ LYS 30 5.555 11.932 0.346 240 2HZ LYS 30 2HZ LYS 30 5.020 13.250 1.194 241 3HZ LYS 30 3HZ LYS 30 6.423 13.292 0.312 242 H ILE 31 H ILE 31 8.385 6.335 5.167 243 HA ILE 31 HA ILE 31 6.606 5.595 7.451 244 HB ILE 31 HB ILE 31 7.516 4.220 4.930 245 1HG1 ILE 31 2HG1 ILE 31 4.833 4.912 6.237 246 2HG1 ILE 31 1HG1 ILE 31 4.933 3.647 5.022 247 1HG2 ILE 31 1HG2 ILE 31 7.811 2.543 6.690 248 2HG2 ILE 31 2HG2 ILE 31 6.151 2.887 7.279 249 3HG2 ILE 31 3HG2 ILE 31 6.430 2.199 5.669 250 1HD1 ILE 31 1HD1 ILE 31 5.978 5.190 3.446 251 2HD1 ILE 31 2HD1 ILE 31 4.308 5.605 3.915 252 3HD1 ILE 31 3HD1 ILE 31 5.672 6.521 4.598 253 H GLY 32 H GLY 32 9.972 4.850 6.168 254 1HA GLY 32 1HA GLY 32 11.830 4.202 7.243 255 2HA GLY 32 2HA GLY 32 11.111 4.809 8.724 256 H GLY 33 H GLY 33 10.337 1.944 6.555 257 1HA GLY 33 1HA GLY 33 10.962 -0.001 8.553 258 2HA GLY 33 2HA GLY 33 9.212 0.250 8.454 259 H ILE 34 H ILE 34 10.044 -2.233 7.750 260 HA ILE 34 HA ILE 34 9.601 -2.235 4.805 261 HB ILE 34 HB ILE 34 10.746 -4.535 6.475 262 1HG1 ILE 34 2HG1 ILE 34 11.832 -2.992 4.092 263 2HG1 ILE 34 1HG1 ILE 34 12.416 -4.579 4.486 264 1HG2 ILE 34 1HG2 ILE 34 9.758 -4.437 3.575 265 2HG2 ILE 34 2HG2 ILE 34 10.560 -5.833 4.341 266 3HG2 ILE 34 3HG2 ILE 34 8.980 -5.315 4.884 267 1HD1 ILE 34 1HD1 ILE 34 12.585 -2.258 6.452 268 2HD1 ILE 34 2HD1 ILE 34 13.376 -3.849 6.548 269 3HD1 ILE 34 3HD1 ILE 34 13.851 -2.679 5.305 270 H PHE 35 H PHE 35 7.543 -2.870 4.308 271 HA PHE 35 HA PHE 35 6.024 -4.293 6.402 272 1HB PHE 35 2HB PHE 35 5.379 -1.993 6.612 273 2HB PHE 35 1HB PHE 35 4.061 -2.976 6.035 274 HD1 PHE 35 HD1 PHE 35 3.777 -3.018 3.336 275 HD2 PHE 35 HD2 PHE 35 5.856 0.023 5.552 276 HE1 PHE 35 HE1 PHE 35 3.342 -1.444 1.542 277 HE2 PHE 35 HE2 PHE 35 5.338 1.672 3.726 278 HZ PHE 35 HZ PHE 35 4.060 0.946 1.731 279 H ALA 36 H ALA 36 4.125 -5.360 5.569 280 HA ALA 36 HA ALA 36 4.234 -6.133 2.687 281 1HB ALA 36 2HB ALA 36 3.144 -8.267 3.544 282 2HB ALA 36 3HB ALA 36 4.840 -8.051 4.019 283 3HB ALA 36 1HB ALA 36 3.534 -7.741 5.186 284 H PHE 37 H PHE 37 2.332 -5.863 1.569 285 HA PHE 37 HA PHE 37 -0.029 -4.654 2.921 286 1HB PHE 37 1HB PHE 37 0.695 -5.214 0.009 287 2HB PHE 37 2HB PHE 37 -0.853 -4.584 0.510 288 HD1 PHE 37 HD1 PHE 37 -0.139 -2.445 2.492 289 HD2 PHE 37 HD2 PHE 37 1.668 -3.539 -1.269 290 HE1 PHE 37 HE1 PHE 37 0.497 -0.114 2.111 291 HE2 PHE 37 HE2 PHE 37 2.342 -1.217 -1.622 292 HZ PHE 37 HZ PHE 37 1.709 0.552 0.044 293 H LYS 38 H LYS 38 -1.392 -6.303 3.888 294 HA LYS 38 HA LYS 38 -1.419 -8.941 2.545 295 1HB LYS 38 1HB LYS 38 -2.297 -7.795 5.219 296 2HB LYS 38 2HB LYS 38 -3.369 -8.989 4.577 297 1HG LYS 38 1HG LYS 38 -1.416 -10.567 4.298 298 2HG LYS 38 2HG LYS 38 -0.407 -9.355 5.079 299 1HD LYS 38 1HD LYS 38 -2.095 -9.492 7.056 300 2HD LYS 38 2HD LYS 38 -2.719 -10.943 6.260 301 1HE LYS 38 1HE LYS 38 0.056 -10.463 7.414 302 2HE LYS 38 2HE LYS 38 -1.129 -11.664 7.916 303 1HZ LYS 38 1HZ LYS 38 0.270 -11.686 5.290 304 2HZ LYS 38 2HZ LYS 38 0.713 -12.536 6.600 305 3HZ LYS 38 3HZ LYS 38 -0.725 -12.869 5.918 306 H VAL 39 H VAL 39 -2.626 -8.936 0.667 307 HA VAL 39 HA VAL 39 -5.108 -7.298 0.661 308 HB VAL 39 HB VAL 39 -3.601 -8.386 -1.792 309 1HG1 VAL 39 1HG1 VAL 39 -5.921 -7.567 -2.103 310 2HG1 VAL 39 2HG1 VAL 39 -5.458 -6.009 -1.446 311 3HG1 VAL 39 3HG1 VAL 39 -4.736 -6.574 -2.963 312 1HG2 VAL 39 1HG2 VAL 39 -2.965 -5.733 -0.533 313 2HG2 VAL 39 2HG2 VAL 39 -1.909 -7.158 -0.643 314 3HG2 VAL 39 3HG2 VAL 39 -2.432 -6.371 -2.096 315 H LYS 40 H LYS 40 -6.693 -8.872 1.328 316 HA LYS 40 HA LYS 40 -6.922 -11.383 -0.266 317 1HB LYS 40 1HB LYS 40 -8.833 -11.753 1.529 318 2HB LYS 40 2HB LYS 40 -7.166 -12.178 1.803 319 1HG LYS 40 1HG LYS 40 -8.153 -9.504 2.781 320 2HG LYS 40 2HG LYS 40 -8.562 -10.985 3.645 321 1HD LYS 40 1HD LYS 40 -6.225 -11.567 3.955 322 2HD LYS 40 2HD LYS 40 -5.677 -10.198 3.004 323 1HE LYS 40 1HE LYS 40 -5.422 -9.774 5.389 324 2HE LYS 40 2HE LYS 40 -6.553 -8.630 4.669 325 1HZ LYS 40 1HZ LYS 40 -7.464 -11.085 6.018 326 2HZ LYS 40 2HZ LYS 40 -7.195 -9.711 6.855 327 3HZ LYS 40 3HZ LYS 40 -8.350 -9.742 5.672 328 H ASP 41 H ASP 41 -9.260 -11.951 -0.734 329 HA ASP 41 HA ASP 41 -11.231 -11.618 -1.752 330 1HB ASP 41 1HB ASP 41 -11.483 -10.612 0.588 331 2HB ASP 41 2HB ASP 41 -11.422 -9.070 -0.124 332 H GLY 42 H GLY 42 -9.102 -10.911 -3.324 333 1HA GLY 42 1HA GLY 42 -9.555 -8.390 -4.657 334 2HA GLY 42 2HA GLY 42 -8.447 -9.664 -5.151 335 HA PRO 43 HA PRO 43 -11.934 -9.036 -8.198 336 1HB PRO 43 2HB PRO 43 -10.935 -8.391 -10.190 337 2HB PRO 43 1HB PRO 43 -9.717 -9.699 -10.107 338 1HG PRO 43 1HG PRO 43 -8.346 -7.851 -9.540 339 2HG PRO 43 2HG PRO 43 -9.697 -7.015 -8.740 340 1HD PRO 43 1HD PRO 43 -8.136 -9.381 -7.699 341 2HD PRO 43 2HD PRO 43 -8.645 -7.894 -6.843 342 H GLY 44 H GLY 44 -9.879 -11.726 -7.356 343 1HA GLY 44 1HA GLY 44 -11.734 -13.595 -8.770 344 2HA GLY 44 2HA GLY 44 -10.010 -13.911 -8.547 345 H GLY 45 H GLY 45 -10.679 -12.434 -5.708 346 1HA GLY 45 1HA GLY 45 -11.694 -13.010 -3.692 347 2HA GLY 45 2HA GLY 45 -12.230 -14.560 -4.368 348 H LYS 46 H LYS 46 -9.232 -14.379 -5.417 349 HA LYS 46 HA LYS 46 -7.838 -15.977 -3.429 350 1HB LYS 46 1HB LYS 46 -7.065 -14.411 -5.926 351 2HB LYS 46 2HB LYS 46 -5.903 -15.402 -5.024 352 1HG LYS 46 1HG LYS 46 -7.376 -17.402 -5.432 353 2HG LYS 46 2HG LYS 46 -8.353 -16.410 -6.534 354 1HD LYS 46 1HD LYS 46 -6.383 -15.980 -7.939 355 2HD LYS 46 2HD LYS 46 -5.343 -16.845 -6.782 356 1HE LYS 46 1HE LYS 46 -6.502 -18.931 -7.196 357 2HE LYS 46 2HE LYS 46 -7.610 -18.146 -8.326 358 1HZ LYS 46 1HZ LYS 46 -4.683 -18.128 -8.712 359 2HZ LYS 46 2HZ LYS 46 -5.611 -19.335 -9.279 360 3HZ LYS 46 3HZ LYS 46 -5.825 -17.795 -9.845 361 H GLU 47 H GLU 47 -5.449 -14.902 -3.158 362 HA GLU 47 HA GLU 47 -5.691 -12.227 -1.968 363 1HB GLU 47 1HB GLU 47 -6.169 -13.786 -0.151 364 2HB GLU 47 2HB GLU 47 -4.847 -14.848 -0.635 365 1HG GLU 47 1HG GLU 47 -3.183 -13.190 0.047 366 2HG GLU 47 2HG GLU 47 -4.461 -12.025 0.403 367 H ALA 48 H ALA 48 -3.606 -11.170 -1.736 368 HA ALA 48 HA ALA 48 -1.244 -12.375 -3.007 369 1HB ALA 48 2HB ALA 48 -2.462 -9.703 -3.846 370 2HB ALA 48 1HB ALA 48 -2.390 -11.201 -4.843 371 3HB ALA 48 3HB ALA 48 -0.912 -10.350 -4.358 372 H THR 49 H THR 49 0.650 -10.754 -2.612 373 HA THR 49 HA THR 49 0.196 -8.664 -0.626 374 HB THR 49 HB THR 49 2.208 -10.953 -0.236 375 HG1 THR 49 HG1 THR 49 0.229 -11.456 0.614 376 1HG2 THR 49 1HG2 THR 49 1.999 -8.359 1.329 377 2HG2 THR 49 2HG2 THR 49 2.910 -9.777 1.849 378 3HG2 THR 49 3HG2 THR 49 3.387 -8.921 0.377 379 H TRP 50 H TRP 50 1.791 -7.004 -0.890 380 HA TRP 50 HA TRP 50 4.065 -7.468 -2.776 381 1HB TRP 50 1HB TRP 50 2.066 -5.221 -2.629 382 2HB TRP 50 2HB TRP 50 3.748 -4.726 -2.649 383 HD1 TRP 50 HD1 TRP 50 4.580 -4.207 -5.056 384 HE1 TRP 50 HE1 TRP 50 3.787 -4.772 -7.460 385 HE3 TRP 50 HE3 TRP 50 0.867 -7.445 -3.869 386 HZ2 TRP 50 HZ2 TRP 50 2.020 -6.679 -8.632 387 HZ3 TRP 50 HZ3 TRP 50 -0.418 -8.596 -5.608 388 HH2 TRP 50 HH2 TRP 50 0.072 -8.203 -8.009 389 H VAL 51 H VAL 51 6.072 -6.760 -1.751 390 HA VAL 51 HA VAL 51 5.840 -5.911 1.099 391 HB VAL 51 HB VAL 51 8.189 -7.177 -0.344 392 1HG1 VAL 51 1HG1 VAL 51 8.895 -5.774 1.565 393 2HG1 VAL 51 2HG1 VAL 51 7.773 -6.646 2.624 394 3HG1 VAL 51 3HG1 VAL 51 9.161 -7.482 1.909 395 1HG2 VAL 51 1HG2 VAL 51 6.232 -8.543 1.526 396 2HG2 VAL 51 2HG2 VAL 51 6.496 -8.901 -0.199 397 3HG2 VAL 51 3HG2 VAL 51 7.766 -9.228 0.953 398 H VAL 52 H VAL 52 6.938 -3.944 1.644 399 HA VAL 52 HA VAL 52 8.144 -2.429 -0.631 400 HB VAL 52 HB VAL 52 6.298 -1.374 1.525 401 1HG1 VAL 52 1HG1 VAL 52 7.640 0.075 -0.794 402 2HG1 VAL 52 2HG1 VAL 52 6.417 0.775 0.290 403 3HG1 VAL 52 3HG1 VAL 52 7.986 0.277 0.924 404 1HG2 VAL 52 1HG2 VAL 52 5.805 -1.731 -1.464 405 2HG2 VAL 52 2HG2 VAL 52 4.955 -2.554 -0.143 406 3HG2 VAL 52 3HG2 VAL 52 4.755 -0.814 -0.374 407 H ASP 53 H ASP 53 10.259 -2.039 -0.170 408 HA ASP 53 HA ASP 53 11.095 -1.839 2.643 409 1HB ASP 53 1HB ASP 53 12.522 -3.020 0.802 410 2HB ASP 53 2HB ASP 53 12.935 -1.402 0.277 411 H VAL 54 H VAL 54 10.592 0.024 3.543 412 HA VAL 54 HA VAL 54 11.579 2.426 2.204 413 HB VAL 54 HB VAL 54 9.619 3.656 3.472 414 1HG1 VAL 54 1HG1 VAL 54 9.227 2.217 0.846 415 2HG1 VAL 54 2HG1 VAL 54 8.215 3.548 1.458 416 3HG1 VAL 54 3HG1 VAL 54 9.927 3.825 1.133 417 1HG2 VAL 54 1HG2 VAL 54 8.304 0.928 3.062 418 2HG2 VAL 54 2HG2 VAL 54 8.619 1.750 4.601 419 3HG2 VAL 54 3HG2 VAL 54 7.485 2.444 3.431 420 H LYS 55 H LYS 55 13.067 0.751 3.797 421 HA LYS 55 HA LYS 55 13.498 2.644 6.070 422 1HB LYS 55 1HB LYS 55 12.476 0.366 6.739 423 2HB LYS 55 2HB LYS 55 14.017 -0.347 6.363 424 1HG LYS 55 1HG LYS 55 13.915 2.078 8.171 425 2HG LYS 55 2HG LYS 55 13.366 0.539 8.822 426 1HD LYS 55 1HD LYS 55 15.417 -0.440 8.786 427 2HD LYS 55 2HD LYS 55 16.012 0.476 7.418 428 1HE LYS 55 1HE LYS 55 15.646 1.615 10.225 429 2HE LYS 55 2HE LYS 55 17.170 1.022 9.542 430 1HZ LYS 55 1HZ LYS 55 16.795 2.712 7.731 431 2HZ LYS 55 2HZ LYS 55 15.644 3.390 8.696 432 3HZ LYS 55 3HZ LYS 55 17.175 3.332 9.229 433 H ASN 56 H ASN 56 14.890 0.143 3.906 434 HA ASN 56 HA ASN 56 17.606 0.988 4.715 435 1HB ASN 56 1HB ASN 56 16.338 -1.449 3.450 436 2HB ASN 56 2HB ASN 56 17.986 -1.048 3.002 437 2HD2 ASN 56 1HD2 ASN 56 16.093 -2.495 5.445 438 1HD2 ASN 56 2HD2 ASN 56 17.196 -2.355 6.794 439 H GLY 57 H GLY 57 19.108 1.750 3.249 440 1HA GLY 57 1HA GLY 57 19.916 2.780 1.364 441 2HA GLY 57 2HA GLY 57 18.918 1.653 0.468 442 H LYS 58 H LYS 58 17.812 2.760 -0.994 443 HA LYS 58 HA LYS 58 16.523 5.312 -0.300 444 1HB LYS 58 2HB LYS 58 16.677 6.047 -2.390 445 2HB LYS 58 1HB LYS 58 16.698 4.474 -3.121 446 1HG LYS 58 1HG LYS 58 18.694 6.085 -3.179 447 2HG LYS 58 2HG LYS 58 19.175 5.328 -1.689 448 1HD LYS 58 1HD LYS 58 18.586 3.897 -4.336 449 2HD LYS 58 2HD LYS 58 20.190 4.406 -3.852 450 1HE LYS 58 1HE LYS 58 20.331 2.784 -2.109 451 2HE LYS 58 2HE LYS 58 18.594 2.416 -2.223 452 1HZ LYS 58 1HZ LYS 58 20.364 1.919 -4.490 453 2HZ LYS 58 2HZ LYS 58 20.054 0.795 -3.295 454 3HZ LYS 58 3HZ LYS 58 18.820 1.381 -4.197 455 H GLY 59 H GLY 59 15.926 2.113 -0.383 456 1HA GLY 59 1HA GLY 59 13.845 1.148 -0.052 457 2HA GLY 59 2HA GLY 59 13.047 2.641 -0.577 458 H SER 60 H SER 60 12.408 0.107 -1.356 459 HA SER 60 HA SER 60 11.874 0.474 -4.054 460 1HB SER 60 1HB SER 60 13.862 -1.779 -3.331 461 2HB SER 60 2HB SER 60 12.920 -1.820 -4.820 462 HG SER 60 HG SER 60 14.257 0.543 -4.316 463 H VAL 61 H VAL 61 10.397 -1.218 -4.784 464 HA VAL 61 HA VAL 61 8.935 -2.557 -2.567 465 HB VAL 61 HB VAL 61 8.190 -1.949 -5.442 466 1HG1 VAL 61 1HG1 VAL 61 6.417 -3.080 -3.251 467 2HG1 VAL 61 2HG1 VAL 61 5.876 -2.499 -4.835 468 3HG1 VAL 61 3HG1 VAL 61 6.931 -3.912 -4.739 469 1HG2 VAL 61 1HG2 VAL 61 7.272 -0.664 -2.840 470 2HG2 VAL 61 2HG2 VAL 61 8.253 0.106 -4.093 471 3HG2 VAL 61 3HG2 VAL 61 6.569 -0.331 -4.423 472 H LEU 62 H LEU 62 8.364 -4.829 -2.945 473 HA LEU 62 HA LEU 62 10.325 -6.297 -4.648 474 1HB LEU 62 1HB LEU 62 9.640 -6.874 -1.771 475 2HB LEU 62 2HB LEU 62 10.709 -7.815 -2.785 476 HG LEU 62 HG LEU 62 11.445 -4.917 -2.458 477 1HD1 LEU 62 1HD1 LEU 62 10.658 -5.409 -0.217 478 2HD1 LEU 62 2HD1 LEU 62 11.739 -6.826 -0.131 479 3HD1 LEU 62 3HD1 LEU 62 12.397 -5.167 -0.296 480 1HD2 LEU 62 1HD2 LEU 62 12.843 -6.453 -3.737 481 2HD2 LEU 62 2HD2 LEU 62 13.688 -5.818 -2.323 482 3HD2 LEU 62 3HD2 LEU 62 13.054 -7.487 -2.307 483 HA PRO 63 HA PRO 63 5.971 -7.395 -5.401 484 1HB PRO 63 1HB PRO 63 6.212 -8.455 -7.921 485 2HB PRO 63 2HB PRO 63 6.209 -6.696 -7.587 486 1HG PRO 63 1HG PRO 63 8.587 -8.506 -8.032 487 2HG PRO 63 2HG PRO 63 8.288 -6.881 -8.720 488 1HD PRO 63 1HD PRO 63 9.881 -7.295 -6.534 489 2HD PRO 63 2HD PRO 63 8.900 -5.811 -6.718 490 H ASN 64 H ASN 64 4.883 -9.300 -5.065 491 HA ASN 64 HA ASN 64 4.449 -11.314 -4.299 492 1HB ASN 64 2HB ASN 64 4.852 -12.995 -5.852 493 2HB ASN 64 1HB ASN 64 6.508 -12.504 -6.143 494 2HD2 ASN 64 1HD2 ASN 64 6.396 -12.581 -8.419 495 1HD2 ASN 64 2HD2 ASN 64 5.420 -11.422 -9.293 496 H SER 65 H SER 65 6.894 -10.004 -3.016 497 HA SER 65 HA SER 65 8.893 -11.981 -3.050 498 1HB SER 65 1HB SER 65 8.943 -9.344 -2.688 499 2HB SER 65 2HB SER 65 9.024 -9.812 -0.977 500 HG SER 65 HG SER 65 10.738 -10.306 -3.159 501 H ASP 66 H ASP 66 9.431 -13.545 -1.737 502 HA ASP 66 HA ASP 66 7.994 -14.202 0.730 503 1HB ASP 66 1HB ASP 66 8.945 -15.870 -0.931 504 2HB ASP 66 2HB ASP 66 10.553 -15.402 -0.385 505 H LYS 67 H LYS 67 10.393 -11.924 -0.089 506 HA LYS 67 HA LYS 67 12.108 -11.928 2.175 507 1HB LYS 67 1HB LYS 67 12.161 -10.356 0.103 508 2HB LYS 67 2HB LYS 67 10.910 -9.431 0.921 509 1HG LYS 67 2HG LYS 67 12.691 -9.511 2.946 510 2HG LYS 67 1HG LYS 67 12.716 -8.268 1.711 511 1HD LYS 67 1HD LYS 67 14.943 -9.384 2.307 512 2HD LYS 67 2HD LYS 67 14.366 -10.816 1.436 513 1HE LYS 67 1HE LYS 67 14.107 -9.492 -0.627 514 2HE LYS 67 2HE LYS 67 14.479 -7.999 0.246 515 1HZ LYS 67 1HZ LYS 67 16.731 -8.879 0.613 516 2HZ LYS 67 2HZ LYS 67 16.359 -10.207 -0.323 517 3HZ LYS 67 3HZ LYS 67 16.365 -8.720 -0.962 518 H LYS 68 H LYS 68 11.750 -11.370 4.295 519 HA LYS 68 HA LYS 68 8.975 -11.252 5.118 520 1HB LYS 68 1HB LYS 68 9.797 -11.511 7.320 521 2HB LYS 68 2HB LYS 68 10.888 -12.456 6.310 522 1HG LYS 68 1HG LYS 68 12.396 -10.335 6.287 523 2HG LYS 68 2HG LYS 68 11.373 -9.731 7.586 524 1HD LYS 68 1HD LYS 68 11.874 -11.732 8.941 525 2HD LYS 68 2HD LYS 68 13.012 -12.301 7.701 526 1HE LYS 68 1HE LYS 68 13.225 -9.489 8.798 527 2HE LYS 68 2HE LYS 68 13.791 -10.827 9.793 528 1HZ LYS 68 1HZ LYS 68 14.806 -10.351 7.052 529 2HZ LYS 68 2HZ LYS 68 15.515 -9.816 8.447 530 3HZ LYS 68 3HZ LYS 68 15.375 -11.415 8.168 531 H ALA 69 H ALA 69 8.809 -9.635 7.110 532 HA ALA 69 HA ALA 69 9.529 -6.872 6.420 533 1HB ALA 69 1HB ALA 69 7.397 -7.267 5.178 534 2HB ALA 69 3HB ALA 69 7.176 -6.133 6.523 535 3HB ALA 69 2HB ALA 69 6.626 -7.810 6.689 536 H ASP 70 H ASP 70 9.245 -5.411 8.281 537 HA ASP 70 HA ASP 70 9.462 -6.806 10.802 538 1HB ASP 70 1HB ASP 70 10.067 -4.771 11.690 539 2HB ASP 70 2HB ASP 70 10.830 -4.903 10.149 540 H CYS 71 H CYS 71 6.932 -5.247 8.990 541 HA CYS 71 HA CYS 71 4.982 -6.181 10.913 542 1HB CYS 71 1HB CYS 71 5.913 -3.567 11.300 543 2HB CYS 71 2HB CYS 71 4.482 -3.325 10.303 544 H THR 72 H THR 72 2.688 -5.067 9.937 545 HA THR 72 HA THR 72 2.713 -5.620 7.020 546 HB THR 72 HB THR 72 0.959 -7.082 9.039 547 HG1 THR 72 HG1 THR 72 2.867 -7.976 9.343 548 1HG2 THR 72 1HG2 THR 72 1.357 -7.428 6.034 549 2HG2 THR 72 2HG2 THR 72 0.734 -8.699 7.074 550 3HG2 THR 72 3HG2 THR 72 -0.174 -7.209 6.920 551 H ILE 73 H ILE 73 0.127 -5.386 6.347 552 HA ILE 73 HA ILE 73 -1.408 -3.917 8.267 553 HB ILE 73 HB ILE 73 -0.224 -2.206 6.604 554 1HG1 ILE 73 1HG1 ILE 73 -3.098 -2.164 7.437 555 2HG1 ILE 73 2HG1 ILE 73 -1.653 -1.598 8.284 556 1HG2 ILE 73 1HG2 ILE 73 -0.951 -3.468 4.536 557 2HG2 ILE 73 2HG2 ILE 73 -2.618 -2.997 4.879 558 3HG2 ILE 73 3HG2 ILE 73 -1.387 -1.759 4.530 559 1HD1 ILE 73 1HD1 ILE 73 -1.292 0.136 6.552 560 2HD1 ILE 73 2HD1 ILE 73 -2.805 -0.359 5.761 561 3HD1 ILE 73 3HD1 ILE 73 -2.843 0.325 7.396 562 H THR 74 H THR 74 -3.706 -4.693 7.934 563 HA THR 74 HA THR 74 -4.117 -6.333 5.473 564 HB THR 74 HB THR 74 -5.366 -6.306 8.212 565 HG1 THR 74 HG1 THR 74 -4.730 -8.311 7.987 566 1HG2 THR 74 1HG2 THR 74 -6.982 -6.916 5.708 567 2HG2 THR 74 2HG2 THR 74 -7.428 -7.405 7.358 568 3HG2 THR 74 3HG2 THR 74 -7.348 -5.695 6.943 569 H MET 75 H MET 75 -5.546 -5.432 3.903 570 HA MET 75 HA MET 75 -7.306 -3.326 4.980 571 1HB MET 75 1HB MET 75 -5.507 -2.924 2.618 572 2HB MET 75 2HB MET 75 -7.097 -2.202 2.577 573 1HG MET 75 1HG MET 75 -6.646 -0.909 4.523 574 2HG MET 75 2HG MET 75 -5.108 -1.734 4.802 575 1HE MET 75 1HE MET 75 -4.701 0.765 5.382 576 2HE MET 75 2HE MET 75 -4.248 1.985 4.177 577 3HE MET 75 3HE MET 75 -5.968 1.638 4.496 578 H ALA 76 H ALA 76 -6.572 -5.261 2.132 579 HA ALA 76 HA ALA 76 -7.791 -7.137 1.266 580 1HB ALA 76 1HB ALA 76 -9.738 -7.017 2.882 581 2HB ALA 76 2HB ALA 76 -10.345 -5.625 1.952 582 3HB ALA 76 3HB ALA 76 -10.201 -7.207 1.179 583 H ASP 77 H ASP 77 -8.971 -7.006 -0.892 584 HA ASP 77 HA ASP 77 -7.608 -5.012 -2.419 585 1HB ASP 77 1HB ASP 77 -8.487 -7.385 -3.005 586 2HB ASP 77 2HB ASP 77 -9.983 -6.596 -3.421 587 H SER 78 H SER 78 -11.018 -5.521 -1.665 588 HA SER 78 HA SER 78 -12.144 -3.300 -3.065 589 1HB SER 78 1HB SER 78 -13.101 -4.496 -0.435 590 2HB SER 78 2HB SER 78 -14.033 -3.387 -1.454 591 HG SER 78 HG SER 78 -14.415 -5.734 -1.761 592 H ASP 79 H ASP 79 -10.519 -3.447 -0.003 593 HA ASP 79 HA ASP 79 -11.161 -0.747 0.891 594 1HB ASP 79 1HB ASP 79 -10.757 -2.992 2.182 595 2HB ASP 79 2HB ASP 79 -9.075 -2.646 1.970 596 H PHE 80 H PHE 80 -8.102 -2.401 -0.035 597 HA PHE 80 HA PHE 80 -6.376 -0.233 -0.125 598 1HB PHE 80 1HB PHE 80 -6.454 -2.868 -1.603 599 2HB PHE 80 2HB PHE 80 -5.291 -1.662 -2.089 600 HD1 PHE 80 HD1 PHE 80 -3.883 -0.532 -0.083 601 HD2 PHE 80 HD2 PHE 80 -5.627 -4.461 -0.061 602 HE1 PHE 80 HE1 PHE 80 -2.224 -1.257 1.582 603 HE2 PHE 80 HE2 PHE 80 -3.919 -5.210 1.586 604 HZ PHE 80 HZ PHE 80 -2.235 -3.618 2.435 605 H LEU 81 H LEU 81 -8.193 -1.557 -2.995 606 HA LEU 81 HA LEU 81 -7.075 0.295 -4.842 607 1HB LEU 81 1HB LEU 81 -9.051 -1.851 -4.754 608 2HB LEU 81 2HB LEU 81 -9.709 -0.550 -5.651 609 HG LEU 81 HG LEU 81 -8.648 -2.302 -6.995 610 1HD1 LEU 81 1HD1 LEU 81 -8.819 -0.058 -7.927 611 2HD1 LEU 81 2HD1 LEU 81 -7.238 0.380 -7.254 612 3HD1 LEU 81 3HD1 LEU 81 -7.369 -0.884 -8.511 613 1HD2 LEU 81 1HD2 LEU 81 -6.904 -2.930 -5.394 614 2HD2 LEU 81 2HD2 LEU 81 -6.252 -2.637 -7.015 615 3HD2 LEU 81 3HD2 LEU 81 -6.026 -1.425 -5.730 616 H ALA 82 H ALA 82 -10.039 0.324 -2.906 617 HA ALA 82 HA ALA 82 -11.326 2.472 -4.247 618 1HB ALA 82 2HB ALA 82 -12.693 2.614 -2.106 619 2HB ALA 82 3HB ALA 82 -12.608 1.007 -2.833 620 3HB ALA 82 1HB ALA 82 -11.598 1.399 -1.422 621 H LEU 83 H LEU 83 -8.754 2.550 -1.887 622 HA LEU 83 HA LEU 83 -9.060 5.279 -1.012 623 1HB LEU 83 1HB LEU 83 -6.744 3.321 -1.076 624 2HB LEU 83 2HB LEU 83 -6.526 4.957 -0.512 625 HG LEU 83 HG LEU 83 -8.827 3.445 0.707 626 1HD1 LEU 83 1HD1 LEU 83 -5.923 2.761 1.312 627 2HD1 LEU 83 2HD1 LEU 83 -7.319 2.363 2.368 628 3HD1 LEU 83 3HD1 LEU 83 -7.205 1.695 0.752 629 1HD2 LEU 83 1HD2 LEU 83 -6.674 5.315 1.819 630 2HD2 LEU 83 2HD2 LEU 83 -8.316 5.770 1.347 631 3HD2 LEU 83 3HD2 LEU 83 -8.075 4.672 2.714 632 H MET 84 H MET 84 -6.975 3.781 -3.663 633 HA MET 84 HA MET 84 -6.209 6.467 -4.509 634 1HB MET 84 1HB MET 84 -5.152 5.217 -6.395 635 2HB MET 84 2HB MET 84 -4.455 5.096 -4.792 636 1HG MET 84 1HG MET 84 -6.267 2.908 -5.716 637 2HG MET 84 2HG MET 84 -4.655 3.017 -6.393 638 1HE MET 84 1HE MET 84 -2.625 3.940 -4.205 639 2HE MET 84 2HE MET 84 -2.400 2.674 -2.998 640 3HE MET 84 3HE MET 84 -2.164 2.317 -4.693 641 H THR 85 H THR 85 -8.276 3.846 -5.896 642 HA THR 85 HA THR 85 -9.001 5.412 -8.144 643 HB THR 85 HB THR 85 -10.146 2.880 -6.894 644 HG1 THR 85 HG1 THR 85 -8.677 2.218 -8.868 645 1HG2 THR 85 1HG2 THR 85 -10.447 3.942 -9.724 646 2HG2 THR 85 2HG2 THR 85 -10.771 2.259 -9.224 647 3HG2 THR 85 3HG2 THR 85 -11.730 3.554 -8.553 648 H GLY 86 H GLY 86 -9.877 6.108 -5.038 649 1HA GLY 86 1HA GLY 86 -11.451 7.511 -4.165 650 2HA GLY 86 2HA GLY 86 -11.851 7.956 -5.830 651 H LYS 87 H LYS 87 -12.240 4.604 -5.015 652 HA LYS 87 HA LYS 87 -15.133 4.827 -5.319 653 1HB LYS 87 1HB LYS 87 -13.788 2.930 -6.287 654 2HB LYS 87 2HB LYS 87 -13.675 2.252 -4.655 655 1HG LYS 87 1HG LYS 87 -16.074 1.983 -4.520 656 2HG LYS 87 2HG LYS 87 -16.333 3.059 -5.901 657 1HD LYS 87 1HD LYS 87 -15.212 1.319 -7.352 658 2HD LYS 87 2HD LYS 87 -15.274 0.210 -5.961 659 1HE LYS 87 1HE LYS 87 -17.708 0.391 -5.837 660 2HE LYS 87 2HE LYS 87 -17.705 1.742 -6.978 661 1HZ LYS 87 1HZ LYS 87 -16.900 0.203 -8.678 662 2HZ LYS 87 2HZ LYS 87 -17.147 -1.077 -7.628 663 3HZ LYS 87 3HZ LYS 87 -18.395 -0.169 -8.124 664 H MET 88 H MET 88 -13.119 5.413 -2.699 665 HA MET 88 HA MET 88 -13.635 6.285 -0.848 666 1HB MET 88 1HB MET 88 -15.965 6.630 -2.010 667 2HB MET 88 2HB MET 88 -16.529 5.411 -0.843 668 1HG MET 88 1HG MET 88 -15.216 6.803 0.863 669 2HG MET 88 2HG MET 88 -15.135 8.053 -0.366 670 1HE MET 88 1HE MET 88 -17.694 8.654 -1.671 671 2HE MET 88 2HE MET 88 -18.352 7.018 -1.437 672 3HE MET 88 3HE MET 88 -19.234 8.415 -0.803 673 H ASN 89 H ASN 89 -12.278 5.001 0.270 674 HA ASN 89 HA ASN 89 -13.670 3.492 2.320 675 1HB ASN 89 1HB ASN 89 -11.586 2.168 0.613 676 2HB ASN 89 2HB ASN 89 -11.423 1.983 2.342 677 2HD2 ASN 89 1HD2 ASN 89 -12.826 0.339 -0.247 678 1HD2 ASN 89 2HD2 ASN 89 -14.078 -0.452 0.664 679 HA PRO 90 HA PRO 90 -10.662 6.161 4.521 680 1HB PRO 90 2HB PRO 90 -11.624 6.460 6.652 681 2HB PRO 90 1HB PRO 90 -12.046 4.726 6.795 682 1HG PRO 90 1HG PRO 90 -14.180 5.628 6.325 683 2HG PRO 90 2HG PRO 90 -13.477 6.868 5.231 684 1HD PRO 90 1HD PRO 90 -13.779 3.889 4.730 685 2HD PRO 90 2HD PRO 90 -14.194 5.254 3.651 686 H GLN 91 H GLN 91 -9.349 5.255 6.640 687 HA GLN 91 HA GLN 91 -7.788 2.922 6.119 688 1HB GLN 91 1HB GLN 91 -8.793 4.006 8.794 689 2HB GLN 91 2HB GLN 91 -7.474 2.862 8.582 690 1HG GLN 91 1HG GLN 91 -6.066 4.578 7.584 691 2HG GLN 91 2HG GLN 91 -7.409 5.746 7.611 692 2HE2 GLN 91 1HE2 GLN 91 -7.682 6.946 9.500 693 1HE2 GLN 91 2HE2 GLN 91 -7.366 6.354 11.094 694 H SER 92 H SER 92 -8.276 0.686 6.492 695 HA SER 92 HA SER 92 -10.891 -0.206 6.731 696 1HB SER 92 2HB SER 92 -9.925 -2.318 6.973 697 2HB SER 92 1HB SER 92 -8.524 -1.731 7.883 698 HG SER 92 HG SER 92 -9.029 -1.122 5.115 699 H ALA 93 H ALA 93 -8.528 0.571 9.177 700 HA ALA 93 HA ALA 93 -9.543 -0.723 11.451 701 1HB ALA 93 1HB ALA 93 -7.821 1.796 11.150 702 2HB ALA 93 2HB ALA 93 -8.019 0.861 12.656 703 3HB ALA 93 3HB ALA 93 -7.293 0.116 11.232 704 H PHE 94 H PHE 94 -9.624 2.856 11.405 705 HA PHE 94 HA PHE 94 -11.173 4.299 12.174 706 1HB PHE 94 1HB PHE 94 -11.780 3.251 9.743 707 2HB PHE 94 2HB PHE 94 -13.276 2.898 10.557 708 HD1 PHE 94 HD1 PHE 94 -10.819 5.809 10.550 709 HD2 PHE 94 HD2 PHE 94 -14.883 4.500 9.844 710 HE1 PHE 94 HE1 PHE 94 -11.465 8.114 9.926 711 HE2 PHE 94 HE2 PHE 94 -15.503 6.805 9.232 712 HZ PHE 94 HZ PHE 94 -13.779 8.616 9.230 713 H PHE 95 H PHE 95 -14.212 3.489 12.304 714 HA PHE 95 HA PHE 95 -14.133 2.379 15.057 715 1HB PHE 95 1HB PHE 95 -15.750 4.323 13.862 716 2HB PHE 95 2HB PHE 95 -16.780 2.915 13.893 717 HD1 PHE 95 HD1 PHE 95 -17.148 1.701 16.153 718 HD2 PHE 95 HD2 PHE 95 -15.231 5.562 15.886 719 HE1 PHE 95 HE1 PHE 95 -17.524 2.089 18.557 720 HE2 PHE 95 HE2 PHE 95 -15.678 5.956 18.264 721 HZ PHE 95 HZ PHE 95 -16.820 4.228 19.614 722 H GLN 96 H GLN 96 -13.957 1.072 12.057 723 HA GLN 96 HA GLN 96 -16.034 -0.955 12.050 724 1HB GLN 96 1HB GLN 96 -13.508 -0.234 10.472 725 2HB GLN 96 2HB GLN 96 -14.297 -1.787 10.263 726 1HG GLN 96 1HG GLN 96 -16.467 -0.319 9.907 727 2HG GLN 96 2HG GLN 96 -15.307 0.944 9.510 728 2HE2 GLN 96 1HE2 GLN 96 -13.630 0.275 7.901 729 1HE2 GLN 96 2HE2 GLN 96 -14.132 -0.671 6.534 730 H GLY 97 H GLY 97 -12.500 -1.007 12.381 731 1HA GLY 97 1HA GLY 97 -11.070 -2.352 13.591 732 2HA GLY 97 2HA GLY 97 -12.442 -3.176 14.331 733 H LYS 98 H LYS 98 -11.214 -2.758 10.943 734 HA LYS 98 HA LYS 98 -11.675 -5.485 10.160 735 1HB LYS 98 1HB LYS 98 -10.199 -3.087 9.136 736 2HB LYS 98 2HB LYS 98 -9.584 -4.578 8.547 737 1HG LYS 98 1HG LYS 98 -12.429 -4.776 8.294 738 2HG LYS 98 2HG LYS 98 -11.994 -3.149 7.770 739 1HD LYS 98 1HD LYS 98 -10.327 -4.186 6.164 740 2HD LYS 98 2HD LYS 98 -10.853 -5.770 6.713 741 1HE LYS 98 2HE LYS 98 -13.112 -5.373 5.831 742 2HE LYS 98 1HE LYS 98 -11.874 -5.207 4.583 743 1HZ LYS 98 1HZ LYS 98 -12.058 -2.762 4.871 744 2HZ LYS 98 2HZ LYS 98 -13.398 -3.499 4.314 745 3HZ LYS 98 3HZ LYS 98 -13.357 -3.023 5.878 746 H LEU 99 H LEU 99 -9.622 -4.643 12.633 747 HA LEU 99 HA LEU 99 -7.559 -4.974 13.267 748 1HB LEU 99 1HB LEU 99 -8.760 -7.012 13.935 749 2HB LEU 99 2HB LEU 99 -8.164 -7.839 12.496 750 HG LEU 99 HG LEU 99 -5.836 -7.625 13.287 751 1HD1 LEU 99 1HD1 LEU 99 -7.081 -5.993 15.537 752 2HD1 LEU 99 2HD1 LEU 99 -5.477 -6.742 15.660 753 3HD1 LEU 99 3HD1 LEU 99 -5.765 -5.521 14.440 754 1HD2 LEU 99 1HD2 LEU 99 -7.158 -9.547 14.068 755 2HD2 LEU 99 2HD2 LEU 99 -5.983 -9.039 15.289 756 3HD2 LEU 99 3HD2 LEU 99 -7.701 -8.614 15.483 757 H LYS 100 H LYS 100 -6.819 -3.626 11.569 758 HA LYS 100 HA LYS 100 -5.057 -4.750 9.551 759 1HB LYS 100 1HB LYS 100 -4.443 -2.507 9.090 760 2HB LYS 100 2HB LYS 100 -6.169 -2.496 9.324 761 1HG LYS 100 1HG LYS 100 -5.904 -1.499 11.547 762 2HG LYS 100 2HG LYS 100 -4.165 -1.731 11.512 763 1HD LYS 100 1HD LYS 100 -3.903 -0.199 9.626 764 2HD LYS 100 2HD LYS 100 -5.656 0.118 9.618 765 1HE LYS 100 1HE LYS 100 -5.459 0.861 12.021 766 2HE LYS 100 2HE LYS 100 -3.729 0.575 11.948 767 1HZ LYS 100 1HZ LYS 100 -3.659 2.278 10.169 768 2HZ LYS 100 2HZ LYS 100 -5.235 2.666 10.477 769 3HZ LYS 100 3HZ LYS 100 -4.139 2.864 11.631 770 H ILE 101 H ILE 101 -2.763 -3.638 9.928 771 HA ILE 101 HA ILE 101 -1.772 -4.136 12.635 772 HB ILE 101 HB ILE 101 -0.635 -5.173 10.004 773 1HG1 ILE 101 1HG1 ILE 101 -0.255 -7.233 11.563 774 2HG1 ILE 101 2HG1 ILE 101 -1.439 -6.481 12.624 775 1HG2 ILE 101 1HG2 ILE 101 0.834 -4.822 12.625 776 2HG2 ILE 101 2HG2 ILE 101 1.404 -5.811 11.255 777 3HG2 ILE 101 3HG2 ILE 101 1.192 -4.087 11.047 778 1HD1 ILE 101 1HD1 ILE 101 -1.919 -7.214 9.694 779 2HD1 ILE 101 2HD1 ILE 101 -2.277 -8.270 11.075 780 3HD1 ILE 101 3HD1 ILE 101 -3.156 -6.757 10.893 781 H THR 102 H THR 102 0.430 -2.737 12.670 782 HA THR 102 HA THR 102 1.058 -0.627 12.993 783 HB THR 102 HB THR 102 1.881 0.516 10.979 784 HG1 THR 102 HG1 THR 102 1.551 -1.068 9.052 785 1HG2 THR 102 1HG2 THR 102 3.161 -1.339 12.017 786 2HG2 THR 102 2HG2 THR 102 2.476 -2.421 10.785 787 3HG2 THR 102 3HG2 THR 102 3.495 -1.060 10.300 788 H GLY 103 H GLY 103 0.715 1.774 11.519 789 1HA GLY 103 1HA GLY 103 -1.791 2.728 10.988 790 2HA GLY 103 2HA GLY 103 -1.749 2.644 12.761 791 H ASN 104 H ASN 104 1.128 3.462 10.802 792 HA ASN 104 HA ASN 104 1.653 5.501 12.675 793 1HB ASN 104 1HB ASN 104 3.159 3.991 10.860 794 2HB ASN 104 2HB ASN 104 3.231 5.597 10.151 795 2HD2 ASN 104 1HD2 ASN 104 5.466 5.969 10.763 796 1HD2 ASN 104 2HD2 ASN 104 5.869 6.370 12.435 797 H MET 105 H MET 105 1.823 7.748 12.493 798 HA MET 105 HA MET 105 -0.183 9.188 11.144 799 1HB MET 105 1HB MET 105 0.843 9.953 13.179 800 2HB MET 105 2HB MET 105 2.449 9.977 12.450 801 1HG MET 105 2HG MET 105 1.549 11.807 10.886 802 2HG MET 105 1HG MET 105 1.881 12.214 12.553 803 1HE MET 105 1HE MET 105 0.314 13.271 14.163 804 2HE MET 105 2HE MET 105 -1.441 13.009 14.164 805 3HE MET 105 3HE MET 105 -0.343 11.635 14.394 806 H GLY 106 H GLY 106 -0.277 9.085 8.896 807 1HA GLY 106 1HA GLY 106 1.002 10.300 6.946 808 2HA GLY 106 2HA GLY 106 2.236 9.096 7.346 809 H LEU 107 H LEU 107 1.684 6.830 7.178 810 HA LEU 107 HA LEU 107 0.316 6.097 4.907 811 1HB LEU 107 1HB LEU 107 0.552 3.813 5.530 812 2HB LEU 107 2HB LEU 107 1.954 4.707 6.075 813 HG LEU 107 HG LEU 107 0.742 4.739 8.407 814 1HD1 LEU 107 1HD1 LEU 107 -0.701 2.393 7.101 815 2HD1 LEU 107 2HD1 LEU 107 -0.546 2.593 8.850 816 3HD1 LEU 107 3HD1 LEU 107 -1.456 3.767 7.916 817 1HD2 LEU 107 1HD2 LEU 107 1.949 2.215 7.245 818 2HD2 LEU 107 2HD2 LEU 107 2.835 3.586 7.951 819 3HD2 LEU 107 3HD2 LEU 107 1.800 2.578 8.975 820 H ALA 108 H ALA 108 -1.250 6.778 7.922 821 HA ALA 108 HA ALA 108 -3.667 5.287 7.376 822 1HB ALA 108 1HB ALA 108 -2.902 7.475 9.341 823 2HB ALA 108 2HB ALA 108 -4.548 6.851 9.226 824 3HB ALA 108 3HB ALA 108 -3.204 5.763 9.650 825 H MET 109 H MET 109 -2.576 8.521 6.403 826 HA MET 109 HA MET 109 -4.391 8.730 4.345 827 1HB MET 109 1HB MET 109 -5.859 9.345 6.667 828 2HB MET 109 2HB MET 109 -5.406 10.925 6.084 829 1HG MET 109 1HG MET 109 -6.693 8.773 4.350 830 2HG MET 109 2HG MET 109 -7.598 9.984 5.247 831 1HE MET 109 1HE MET 109 -7.943 9.449 2.089 832 2HE MET 109 2HE MET 109 -8.898 10.652 2.996 833 3HE MET 109 3HE MET 109 -8.075 11.123 1.498 834 H LYS 110 H LYS 110 -2.044 10.299 6.479 835 HA LYS 110 HA LYS 110 -1.985 12.763 4.910 836 1HB LYS 110 1HB LYS 110 -0.840 11.815 7.493 837 2HB LYS 110 2HB LYS 110 0.187 12.871 6.546 838 1HG LYS 110 1HG LYS 110 -1.153 14.259 7.976 839 2HG LYS 110 2HG LYS 110 -1.622 14.527 6.313 840 1HD LYS 110 1HD LYS 110 -3.658 14.484 7.465 841 2HD LYS 110 2HD LYS 110 -3.582 12.905 6.732 842 1HE LYS 110 2HE LYS 110 -2.514 12.105 8.968 843 2HE LYS 110 1HE LYS 110 -4.249 12.451 8.922 844 1HZ LYS 110 1HZ LYS 110 -3.786 14.625 9.819 845 2HZ LYS 110 2HZ LYS 110 -3.319 13.421 10.838 846 3HZ LYS 110 3HZ LYS 110 -2.185 14.284 9.973 847 H LEU 111 H LEU 111 -1.793 11.500 2.936 848 HA LEU 111 HA LEU 111 0.853 11.977 1.955 849 1HB LEU 111 1HB LEU 111 1.229 9.849 0.910 850 2HB LEU 111 2HB LEU 111 1.215 9.682 2.640 851 HG LEU 111 HG LEU 111 0.261 7.753 1.747 852 1HD1 LEU 111 1HD1 LEU 111 -0.929 8.677 3.735 853 2HD1 LEU 111 2HD1 LEU 111 -2.236 9.172 2.631 854 3HD1 LEU 111 3HD1 LEU 111 -1.802 7.465 2.796 855 1HD2 LEU 111 1HD2 LEU 111 -0.404 8.601 -0.485 856 2HD2 LEU 111 2HD2 LEU 111 -1.589 7.540 0.293 857 3HD2 LEU 111 3HD2 LEU 111 -1.883 9.269 0.229 858 H GLN 112 H GLN 112 0.790 11.994 -0.471 859 HA GLN 112 HA GLN 112 -1.930 11.609 -1.607 860 1HB GLN 112 1HB GLN 112 -0.209 14.048 -1.935 861 2HB GLN 112 2HB GLN 112 -0.791 13.318 -3.430 862 1HG GLN 112 1HG GLN 112 -3.111 13.253 -1.975 863 2HG GLN 112 2HG GLN 112 -2.352 14.680 -1.306 864 2HE2 GLN 112 1HE2 GLN 112 -4.567 13.767 -3.505 865 1HE2 GLN 112 2HE2 GLN 112 -4.370 15.018 -4.725 866 H ASN 113 H ASN 113 1.207 12.202 -3.206 867 HA ASN 113 HA ASN 113 0.943 10.372 -5.161 868 1HB ASN 113 1HB ASN 113 3.580 10.988 -3.750 869 2HB ASN 113 2HB ASN 113 3.418 10.311 -5.357 870 2HD2 ASN 113 1HD2 ASN 113 2.555 11.667 -7.083 871 1HD2 ASN 113 2HD2 ASN 113 2.804 13.411 -6.974 872 H LEU 114 H LEU 114 1.817 9.537 -1.880 873 HA LEU 114 HA LEU 114 3.159 7.058 -2.428 874 1HB LEU 114 1HB LEU 114 3.301 8.555 -0.362 875 2HB LEU 114 2HB LEU 114 1.759 7.876 0.117 876 HG LEU 114 HG LEU 114 3.720 5.774 -0.516 877 1HD1 LEU 114 1HD1 LEU 114 5.254 7.577 0.353 878 2HD1 LEU 114 2HD1 LEU 114 4.346 7.572 1.865 879 3HD1 LEU 114 3HD1 LEU 114 5.222 6.111 1.329 880 1HD2 LEU 114 1HD2 LEU 114 1.530 5.519 0.783 881 2HD2 LEU 114 2HD2 LEU 114 2.952 4.841 1.582 882 3HD2 LEU 114 3HD2 LEU 114 2.284 6.400 2.116 883 H GLN 115 H GLN 115 -0.178 7.831 -2.682 884 HA GLN 115 HA GLN 115 -0.689 5.014 -3.283 885 1HB GLN 115 1HB GLN 115 -2.520 6.677 -1.482 886 2HB GLN 115 2HB GLN 115 -3.014 5.197 -2.287 887 1HG GLN 115 1HG GLN 115 -1.379 3.862 -1.110 888 2HG GLN 115 2HG GLN 115 -0.689 5.304 -0.356 889 2HE2 GLN 115 1HE2 GLN 115 -0.960 4.248 1.669 890 1HE2 GLN 115 2HE2 GLN 115 -2.504 4.349 2.500 891 H LEU 116 H LEU 116 0.091 6.602 -5.161 892 HA LEU 116 HA LEU 116 -0.200 8.141 -6.731 893 1HB LEU 116 1HB LEU 116 -1.651 7.228 -8.551 894 2HB LEU 116 2HB LEU 116 -0.393 6.207 -7.923 895 HG LEU 116 HG LEU 116 -3.064 5.921 -6.672 896 1HD1 LEU 116 1HD1 LEU 116 -2.433 4.757 -9.433 897 2HD1 LEU 116 2HD1 LEU 116 -3.844 4.323 -8.452 898 3HD1 LEU 116 3HD1 LEU 116 -3.687 5.970 -9.090 899 1HD2 LEU 116 1HD2 LEU 116 -1.055 4.478 -6.045 900 2HD2 LEU 116 2HD2 LEU 116 -2.505 3.592 -6.543 901 3HD2 LEU 116 3HD2 LEU 116 -1.172 3.769 -7.652 902 H GLN 117 H GLN 117 -2.230 9.009 -8.329 903 HA GLN 117 HA GLN 117 -3.221 11.112 -6.530 904 1HB GLN 117 2HB GLN 117 -2.721 12.603 -8.128 905 2HB GLN 117 1HB GLN 117 -3.060 11.524 -9.477 906 1HG GLN 117 1HG GLN 117 -0.608 11.166 -7.704 907 2HG GLN 117 2HG GLN 117 -0.911 10.472 -9.315 908 2HE2 GLN 117 1HE2 GLN 117 0.813 12.789 -7.698 909 1HE2 GLN 117 2HE2 GLN 117 1.076 13.910 -9.027 910 HA PRO 118 HA PRO 118 -7.074 9.216 -7.217 911 1HB PRO 118 1HB PRO 118 -8.840 10.990 -6.121 912 2HB PRO 118 2HB PRO 118 -7.564 10.196 -5.137 913 1HG PRO 118 2HG PRO 118 -7.138 12.541 -4.730 914 2HG PRO 118 1HG PRO 118 -7.438 12.942 -6.458 915 1HD PRO 118 1HD PRO 118 -5.095 12.732 -6.510 916 2HD PRO 118 2HD PRO 118 -5.094 11.464 -5.243 917 H GLY 119 H GLY 119 -9.327 9.552 -8.227 918 1HA GLY 119 1HA GLY 119 -10.136 11.824 -9.606 919 2HA GLY 119 2HA GLY 119 -9.247 10.832 -10.777 920 H ASN 120 H ASN 120 -12.235 11.459 -10.387 921 HA ASN 120 HA ASN 120 -13.410 8.766 -10.113 922 1HB ASN 120 1HB ASN 120 -14.627 11.344 -11.199 923 2HB ASN 120 2HB ASN 120 -15.451 9.807 -10.986 924 2HD2 ASN 120 1HD2 ASN 120 -14.613 12.751 -9.400 925 1HD2 ASN 120 2HD2 ASN 120 -15.032 12.270 -7.768 926 H ALA 121 H ALA 121 -13.177 7.338 -11.729 927 HA ALA 121 HA ALA 121 -13.039 8.150 -14.564 928 1HB ALA 121 1HB ALA 121 -10.971 6.396 -13.141 929 2HB ALA 121 3HB ALA 121 -10.681 8.010 -13.823 930 3HB ALA 121 2HB ALA 121 -11.067 6.653 -14.896 931 H LYS 122 H LYS 122 -13.803 6.438 -15.969 932 HA LYS 122 HA LYS 122 -15.488 4.513 -14.506 933 1HB LYS 122 1HB LYS 122 -16.225 6.106 -16.408 934 2HB LYS 122 2HB LYS 122 -15.451 4.965 -17.510 935 1HG LYS 122 1HG LYS 122 -16.945 3.159 -16.714 936 2HG LYS 122 2HG LYS 122 -17.631 4.241 -15.482 937 1HD LYS 122 1HD LYS 122 -18.479 5.740 -17.266 938 2HD LYS 122 2HD LYS 122 -17.795 4.650 -18.488 939 1HE LYS 122 1HE LYS 122 -19.253 2.818 -17.659 940 2HE LYS 122 2HE LYS 122 -19.986 3.934 -16.489 941 1HZ LYS 122 1HZ LYS 122 -20.009 4.334 -19.421 942 2HZ LYS 122 2HZ LYS 122 -21.249 3.651 -18.590 943 3HZ LYS 122 3HZ LYS 122 -20.848 5.224 -18.320 944 H LEU 123 H LEU 123 -15.358 2.382 -14.586 945 HA LEU 123 HA LEU 123 -14.519 0.363 -14.588 946 1HB LEU 123 1HB LEU 123 -15.301 0.848 -17.154 947 2HB LEU 123 2HB LEU 123 -13.629 0.450 -17.448 948 HG LEU 123 HG LEU 123 -14.995 -1.496 -17.728 949 1HD1 LEU 123 1HD1 LEU 123 -12.811 -1.961 -16.732 950 2HD1 LEU 123 2HD1 LEU 123 -13.494 -1.801 -15.095 951 3HD1 LEU 123 3HD1 LEU 123 -14.024 -3.110 -16.162 952 1HD2 LEU 123 1HD2 LEU 123 -16.892 -0.748 -16.281 953 2HD2 LEU 123 2HD2 LEU 123 -16.436 -2.449 -16.046 954 3HD2 LEU 123 3HD2 LEU 123 -15.948 -1.226 -14.861 No H/Q in entry = 954 Start of MODEL 16 1 H SER 1 H SER 1 -6.253 -19.216 -1.472 2 HA SER 1 HA SER 1 -3.823 -20.372 -0.622 3 1HB SER 1 1HB SER 1 -4.362 -18.147 -2.638 4 2HB SER 1 2HB SER 1 -2.851 -19.064 -2.521 5 HG SER 1 HG SER 1 -3.920 -20.937 -3.006 6 H SER 2 H SER 2 -1.699 -19.056 -0.500 7 HA SER 2 HA SER 2 -2.038 -16.640 1.213 8 1HB SER 2 1HB SER 2 0.381 -16.886 1.622 9 2HB SER 2 2HB SER 2 -0.587 -18.217 2.242 10 HG SER 2 HG SER 2 1.493 -18.388 0.743 11 H ALA 3 H ALA 3 -0.020 -17.804 -1.539 12 HA ALA 3 HA ALA 3 0.148 -15.021 -2.502 13 1HB ALA 3 1HB ALA 3 2.286 -16.121 -1.878 14 2HB ALA 3 3HB ALA 3 2.202 -15.713 -3.596 15 3HB ALA 3 2HB ALA 3 1.962 -17.403 -3.058 16 H SER 4 H SER 4 0.039 -14.528 -4.649 17 HA SER 4 HA SER 4 -1.054 -16.119 -6.750 18 1HB SER 4 1HB SER 4 -2.779 -14.382 -4.998 19 2HB SER 4 2HB SER 4 -3.158 -14.745 -6.662 20 HG SER 4 HG SER 4 -3.026 -17.044 -5.911 21 H ASP 5 H ASP 5 -1.561 -12.830 -5.412 22 HA ASP 5 HA ASP 5 -0.995 -10.711 -6.227 23 1HB ASP 5 1HB ASP 5 1.532 -12.312 -6.683 24 2HB ASP 5 2HB ASP 5 1.392 -10.576 -6.468 25 H GLY 6 H GLY 6 -2.618 -11.868 -8.154 26 1HA GLY 6 1HA GLY 6 -1.575 -10.347 -10.497 27 2HA GLY 6 2HA GLY 6 -2.305 -11.942 -10.691 28 H PHE 7 H PHE 7 -3.313 -9.171 -8.557 29 HA PHE 7 HA PHE 7 -6.045 -9.255 -9.733 30 1HB PHE 7 2HB PHE 7 -6.642 -7.785 -7.931 31 2HB PHE 7 1HB PHE 7 -4.986 -7.441 -7.549 32 HD1 PHE 7 HD1 PHE 7 -6.348 -10.929 -8.091 33 HD2 PHE 7 HD2 PHE 7 -5.095 -7.921 -5.258 34 HE1 PHE 7 HE1 PHE 7 -6.439 -12.584 -6.274 35 HE2 PHE 7 HE2 PHE 7 -5.123 -9.637 -3.453 36 HZ PHE 7 HZ PHE 7 -5.828 -11.944 -3.933 37 H LYS 8 H LYS 8 -6.917 -6.722 -9.824 38 HA LYS 8 HA LYS 8 -5.123 -5.349 -11.663 39 1HB LYS 8 1HB LYS 8 -7.625 -5.274 -11.849 40 2HB LYS 8 2HB LYS 8 -7.628 -4.149 -10.475 41 1HG LYS 8 1HG LYS 8 -6.247 -2.560 -11.723 42 2HG LYS 8 2HG LYS 8 -6.072 -3.699 -13.064 43 1HD LYS 8 1HD LYS 8 -8.685 -2.401 -12.163 44 2HD LYS 8 2HD LYS 8 -7.682 -1.896 -13.536 45 1HE LYS 8 1HE LYS 8 -7.985 -4.195 -14.538 46 2HE LYS 8 2HE LYS 8 -9.133 -4.558 -13.236 47 1HZ LYS 8 1HZ LYS 8 -10.470 -2.655 -14.053 48 2HZ LYS 8 2HZ LYS 8 -9.464 -2.485 -15.329 49 3HZ LYS 8 3HZ LYS 8 -10.314 -3.869 -15.140 50 H ALA 9 H ALA 9 -5.531 -5.466 -8.194 51 HA ALA 9 HA ALA 9 -4.426 -3.080 -7.291 52 1HB ALA 9 1HB ALA 9 -5.128 -4.918 -5.781 53 2HB ALA 9 3HB ALA 9 -3.465 -4.414 -5.441 54 3HB ALA 9 2HB ALA 9 -3.746 -5.901 -6.335 55 H ASN 10 H ASN 10 -2.882 -5.506 -9.240 56 HA ASN 10 HA ASN 10 -0.165 -5.225 -8.548 57 1HB ASN 10 1HB ASN 10 -1.599 -6.761 -10.338 58 2HB ASN 10 2HB ASN 10 -0.827 -5.645 -11.448 59 2HD2 ASN 10 1HD2 ASN 10 -0.503 -8.538 -9.760 60 1HD2 ASN 10 2HD2 ASN 10 1.202 -8.689 -9.646 61 H LEU 11 H LEU 11 -2.217 -3.397 -10.865 62 HA LEU 11 HA LEU 11 -0.187 -1.724 -11.921 63 1HB LEU 11 2HB LEU 11 -1.991 -0.505 -12.822 64 2HB LEU 11 1HB LEU 11 -3.139 -1.053 -11.653 65 HG LEU 11 HG LEU 11 -3.677 -2.883 -12.804 66 1HD1 LEU 11 1HD1 LEU 11 -4.077 -0.939 -14.273 67 2HD1 LEU 11 2HD1 LEU 11 -2.491 -1.184 -15.038 68 3HD1 LEU 11 3HD1 LEU 11 -3.758 -2.399 -15.229 69 1HD2 LEU 11 1HD2 LEU 11 -0.932 -2.999 -14.094 70 2HD2 LEU 11 2HD2 LEU 11 -1.611 -4.172 -12.951 71 3HD2 LEU 11 3HD2 LEU 11 -2.274 -4.058 -14.560 72 H VAL 12 H VAL 12 -2.610 -1.369 -9.318 73 HA VAL 12 HA VAL 12 -2.021 1.281 -8.627 74 HB VAL 12 HB VAL 12 -3.607 -1.001 -7.589 75 1HG1 VAL 12 1HG1 VAL 12 -2.737 1.148 -5.652 76 2HG1 VAL 12 2HG1 VAL 12 -4.169 0.121 -5.438 77 3HG1 VAL 12 3HG1 VAL 12 -2.563 -0.606 -5.455 78 1HG2 VAL 12 1HG2 VAL 12 -4.469 0.778 -9.022 79 2HG2 VAL 12 2HG2 VAL 12 -5.283 0.806 -7.440 80 3HG2 VAL 12 3HG2 VAL 12 -4.029 1.997 -7.798 81 H PHE 13 H PHE 13 -0.718 -1.728 -7.001 82 HA PHE 13 HA PHE 13 0.834 -0.161 -5.186 83 1HB PHE 13 1HB PHE 13 1.194 -2.976 -6.234 84 2HB PHE 13 2HB PHE 13 2.213 -2.255 -4.991 85 HD1 PHE 13 HD1 PHE 13 0.792 -1.038 -2.994 86 HD2 PHE 13 HD2 PHE 13 -0.408 -4.446 -5.368 87 HE1 PHE 13 HE1 PHE 13 -0.608 -1.878 -1.116 88 HE2 PHE 13 HE2 PHE 13 -1.717 -5.303 -3.442 89 HZ PHE 13 HZ PHE 13 -1.801 -3.993 -1.327 90 H LYS 14 H LYS 14 1.405 -1.027 -8.530 91 HA LYS 14 HA LYS 14 4.246 -0.631 -8.381 92 1HB LYS 14 1HB LYS 14 2.822 -1.966 -9.949 93 2HB LYS 14 2HB LYS 14 2.566 -0.541 -10.899 94 1HG LYS 14 1HG LYS 14 4.926 -0.264 -11.381 95 2HG LYS 14 2HG LYS 14 5.413 -1.355 -10.112 96 1HD LYS 14 1HD LYS 14 3.691 -2.846 -11.911 97 2HD LYS 14 2HD LYS 14 4.882 -1.996 -12.881 98 1HE LYS 14 1HE LYS 14 5.708 -3.556 -10.416 99 2HE LYS 14 2HE LYS 14 5.395 -4.398 -11.930 100 1HZ LYS 14 1HZ LYS 14 7.301 -2.155 -11.808 101 2HZ LYS 14 2HZ LYS 14 7.752 -3.680 -11.459 102 3HZ LYS 14 3HZ LYS 14 7.206 -3.344 -12.963 103 H GLU 15 H GLU 15 1.577 1.378 -8.917 104 HA GLU 15 HA GLU 15 2.969 3.748 -9.856 105 1HB GLU 15 1HB GLU 15 1.160 5.049 -9.364 106 2HB GLU 15 2HB GLU 15 0.392 3.490 -9.361 107 1HG GLU 15 2HG GLU 15 0.805 3.593 -6.744 108 2HG GLU 15 1HG GLU 15 -0.537 4.340 -7.528 109 H ILE 16 H ILE 16 2.474 2.686 -6.440 110 HA ILE 16 HA ILE 16 4.126 4.563 -5.227 111 HB ILE 16 HB ILE 16 3.396 1.694 -4.477 112 1HG1 ILE 16 1HG1 ILE 16 2.263 4.158 -3.179 113 2HG1 ILE 16 2HG1 ILE 16 1.586 3.647 -4.696 114 1HG2 ILE 16 1HG2 ILE 16 4.758 3.836 -2.858 115 2HG2 ILE 16 2HG2 ILE 16 3.973 2.406 -2.127 116 3HG2 ILE 16 3HG2 ILE 16 5.347 2.199 -3.228 117 1HD1 ILE 16 1HD1 ILE 16 1.796 1.732 -2.338 118 2HD1 ILE 16 2HD1 ILE 16 0.369 2.714 -2.710 119 3HD1 ILE 16 3HD1 ILE 16 0.909 1.518 -3.868 120 H GLU 17 H GLU 17 4.877 1.279 -6.498 121 HA GLU 17 HA GLU 17 7.648 1.359 -5.918 122 1HB GLU 17 1HB GLU 17 6.406 -0.695 -6.705 123 2HB GLU 17 2HB GLU 17 6.346 0.021 -8.297 124 1HG GLU 17 1HG GLU 17 8.889 0.155 -8.272 125 2HG GLU 17 2HG GLU 17 8.838 -0.762 -6.770 126 H LYS 18 H LYS 18 5.954 2.542 -8.866 127 HA LYS 18 HA LYS 18 8.337 3.036 -10.250 128 1HB LYS 18 1HB LYS 18 5.467 3.902 -10.515 129 2HB LYS 18 2HB LYS 18 6.622 4.987 -11.259 130 1HG LYS 18 1HG LYS 18 6.546 2.008 -11.812 131 2HG LYS 18 2HG LYS 18 5.734 3.223 -12.795 132 1HD LYS 18 1HD LYS 18 7.607 3.741 -13.905 133 2HD LYS 18 2HD LYS 18 8.476 4.075 -12.419 134 1HE LYS 18 2HE LYS 18 9.118 1.709 -12.222 135 2HE LYS 18 1HE LYS 18 9.674 2.451 -13.725 136 1HZ LYS 18 1HZ LYS 18 7.764 1.394 -14.834 137 2HZ LYS 18 2HZ LYS 18 8.779 0.285 -14.104 138 3HZ LYS 18 3HZ LYS 18 7.355 0.655 -13.417 139 H LYS 19 H LYS 19 6.370 5.190 -8.150 140 HA LYS 19 HA LYS 19 8.111 7.443 -8.498 141 1HB LYS 19 1HB LYS 19 5.673 7.402 -7.709 142 2HB LYS 19 2HB LYS 19 6.267 6.825 -6.161 143 1HG LYS 19 1HG LYS 19 5.857 9.194 -6.043 144 2HG LYS 19 2HG LYS 19 7.595 8.960 -5.923 145 1HD LYS 19 1HD LYS 19 6.621 9.363 -8.715 146 2HD LYS 19 2HD LYS 19 6.237 10.704 -7.638 147 1HE LYS 19 1HE LYS 19 8.540 11.023 -7.023 148 2HE LYS 19 2HE LYS 19 9.051 9.567 -7.903 149 1HZ LYS 19 1HZ LYS 19 7.698 11.772 -9.315 150 2HZ LYS 19 2HZ LYS 19 9.309 11.847 -9.034 151 3HZ LYS 19 3HZ LYS 19 8.674 10.618 -9.938 152 H LEU 20 H LEU 20 8.123 4.681 -6.125 153 HA LEU 20 HA LEU 20 10.135 5.654 -4.460 154 1HB LEU 20 1HB LEU 20 8.703 3.165 -4.900 155 2HB LEU 20 2HB LEU 20 10.372 2.838 -4.661 156 HG LEU 20 HG LEU 20 9.382 4.908 -2.762 157 1HD1 LEU 20 1HD1 LEU 20 8.018 2.248 -2.739 158 2HD1 LEU 20 2HD1 LEU 20 7.962 3.482 -1.444 159 3HD1 LEU 20 3HD1 LEU 20 7.306 3.854 -3.057 160 1HD2 LEU 20 1HD2 LEU 20 11.517 3.512 -2.674 161 2HD2 LEU 20 2HD2 LEU 20 10.606 3.804 -1.200 162 3HD2 LEU 20 3HD2 LEU 20 10.472 2.217 -2.015 163 H GLU 21 H GLU 21 10.315 3.796 -7.505 164 HA GLU 21 HA GLU 21 13.135 3.587 -7.502 165 1HB GLU 21 1HB GLU 21 11.252 3.656 -9.851 166 2HB GLU 21 2HB GLU 21 12.943 3.159 -9.908 167 1HG GLU 21 1HG GLU 21 10.878 1.785 -8.083 168 2HG GLU 21 2HG GLU 21 11.164 1.295 -9.756 169 H GLU 22 H GLU 22 11.073 6.208 -9.032 170 HA GLU 22 HA GLU 22 13.313 7.615 -9.988 171 1HB GLU 22 1HB GLU 22 10.611 8.690 -9.101 172 2HB GLU 22 2HB GLU 22 11.809 9.562 -10.065 173 1HG GLU 22 1HG GLU 22 11.652 7.574 -11.721 174 2HG GLU 22 2HG GLU 22 10.187 7.130 -10.870 175 H GLU 23 H GLU 23 11.580 7.933 -6.856 176 HA GLU 23 HA GLU 23 13.913 9.152 -5.619 177 1HB GLU 23 1HB GLU 23 12.818 10.923 -7.033 178 2HB GLU 23 2HB GLU 23 11.344 10.740 -6.084 179 1HG GLU 23 1HG GLU 23 12.268 11.771 -4.264 180 2HG GLU 23 2HG GLU 23 13.857 11.047 -4.541 181 H GLY 24 H GLY 24 12.907 6.803 -4.800 182 1HA GLY 24 1HA GLY 24 10.886 6.905 -2.818 183 2HA GLY 24 2HA GLY 24 12.171 5.706 -2.954 184 H GLU 25 H GLU 25 14.124 8.146 -2.716 185 HA GLU 25 HA GLU 25 14.972 7.555 -0.195 186 1HB GLU 25 1HB GLU 25 16.254 9.764 -0.277 187 2HB GLU 25 2HB GLU 25 16.503 8.662 -1.620 188 1HG GLU 25 1HG GLU 25 15.485 10.011 -3.173 189 2HG GLU 25 2HG GLU 25 14.392 10.763 -2.028 190 H GLN 26 H GLN 26 12.835 10.297 -1.050 191 HA GLN 26 HA GLN 26 12.673 11.293 1.639 192 1HB GLN 26 1HB GLN 26 12.369 12.481 -0.666 193 2HB GLN 26 2HB GLN 26 10.697 11.862 -0.591 194 1HG GLN 26 1HG GLN 26 10.405 12.958 1.614 195 2HG GLN 26 2HG GLN 26 12.078 13.510 1.558 196 2HE2 GLN 26 1HE2 GLN 26 12.282 14.445 -1.150 197 1HE2 GLN 26 2HE2 GLN 26 11.156 15.737 -1.344 198 H PHE 27 H PHE 27 10.867 8.864 -0.301 199 HA PHE 27 HA PHE 27 8.514 8.919 1.355 200 1HB PHE 27 1HB PHE 27 9.649 7.418 -1.007 201 2HB PHE 27 2HB PHE 27 8.580 6.501 0.013 202 HD1 PHE 27 HD1 PHE 27 6.643 9.129 0.575 203 HD2 PHE 27 HD2 PHE 27 8.206 7.025 -2.877 204 HE1 PHE 27 HE1 PHE 27 4.759 9.901 -0.771 205 HE2 PHE 27 HE2 PHE 27 6.234 7.745 -4.162 206 HZ PHE 27 HZ PHE 27 4.534 9.205 -3.156 207 H VAL 28 H VAL 28 11.677 7.256 1.385 208 HA VAL 28 HA VAL 28 11.048 5.181 3.220 209 HB VAL 28 HB VAL 28 13.580 6.693 2.500 210 1HG1 VAL 28 1HG1 VAL 28 13.292 4.447 4.501 211 2HG1 VAL 28 2HG1 VAL 28 14.836 4.865 3.709 212 3HG1 VAL 28 3HG1 VAL 28 14.044 6.042 4.758 213 1HG2 VAL 28 1HG2 VAL 28 12.637 5.064 0.852 214 2HG2 VAL 28 2HG2 VAL 28 14.208 4.553 1.495 215 3HG2 VAL 28 3HG2 VAL 28 12.728 3.801 2.084 216 H LYS 29 H LYS 29 11.474 8.670 3.727 217 HA LYS 29 HA LYS 29 11.813 8.436 6.594 218 1HB LYS 29 1HB LYS 29 10.809 10.732 4.851 219 2HB LYS 29 2HB LYS 29 11.058 10.870 6.565 220 1HG LYS 29 1HG LYS 29 13.287 10.028 4.674 221 2HG LYS 29 2HG LYS 29 12.960 11.708 5.088 222 1HD LYS 29 1HD LYS 29 13.213 9.845 7.420 223 2HD LYS 29 2HD LYS 29 14.680 10.076 6.485 224 1HE LYS 29 1HE LYS 29 13.025 12.450 7.414 225 2HE LYS 29 2HE LYS 29 14.158 11.641 8.514 226 1HZ LYS 29 1HZ LYS 29 15.930 12.075 6.974 227 2HZ LYS 29 2HZ LYS 29 14.907 12.844 5.924 228 3HZ LYS 29 3HZ LYS 29 15.209 13.476 7.408 229 H LYS 30 H LYS 30 8.993 7.994 4.520 230 HA LYS 30 HA LYS 30 7.131 8.929 6.498 231 1HB LYS 30 1HB LYS 30 6.668 7.102 4.122 232 2HB LYS 30 2HB LYS 30 5.403 7.919 5.034 233 1HG LYS 30 1HG LYS 30 7.620 9.579 3.781 234 2HG LYS 30 2HG LYS 30 6.432 8.831 2.766 235 1HD LYS 30 2HD LYS 30 4.602 9.964 3.991 236 2HD LYS 30 1HD LYS 30 5.750 11.091 3.240 237 1HE LYS 30 1HE LYS 30 5.808 10.305 6.180 238 2HE LYS 30 2HE LYS 30 6.823 11.528 5.375 239 1HZ LYS 30 1HZ LYS 30 4.742 12.725 4.896 240 2HZ LYS 30 2HZ LYS 30 3.885 11.590 5.726 241 3HZ LYS 30 3HZ LYS 30 4.979 12.523 6.515 242 H ILE 31 H ILE 31 7.537 5.574 5.326 243 HA ILE 31 HA ILE 31 6.137 4.377 7.622 244 HB ILE 31 HB ILE 31 7.598 3.358 5.161 245 1HG1 ILE 31 1HG1 ILE 31 4.943 2.457 5.125 246 2HG1 ILE 31 2HG1 ILE 31 4.780 4.043 5.854 247 1HG2 ILE 31 1HG2 ILE 31 7.883 1.694 6.977 248 2HG2 ILE 31 2HG2 ILE 31 6.118 1.698 7.230 249 3HG2 ILE 31 3HG2 ILE 31 6.825 1.141 5.710 250 1HD1 ILE 31 1HD1 ILE 31 6.101 4.958 3.854 251 2HD1 ILE 31 2HD1 ILE 31 5.950 3.344 3.135 252 3HD1 ILE 31 3HD1 ILE 31 4.499 4.288 3.490 253 H GLY 32 H GLY 32 9.491 4.153 6.158 254 1HA GLY 32 1HA GLY 32 11.526 3.890 7.011 255 2HA GLY 32 2HA GLY 32 10.913 4.488 8.558 256 H GLY 33 H GLY 33 10.509 1.509 6.493 257 1HA GLY 33 1HA GLY 33 11.488 -0.308 8.450 258 2HA GLY 33 2HA GLY 33 9.710 -0.300 8.445 259 H ILE 34 H ILE 34 10.800 -2.628 7.631 260 HA ILE 34 HA ILE 34 10.136 -2.675 4.734 261 HB ILE 34 HB ILE 34 10.735 -4.955 6.690 262 1HG1 ILE 34 2HG1 ILE 34 12.199 -3.880 4.240 263 2HG1 ILE 34 1HG1 ILE 34 12.429 -5.522 4.790 264 1HG2 ILE 34 1HG2 ILE 34 9.915 -5.085 3.746 265 2HG2 ILE 34 2HG2 ILE 34 10.392 -6.460 4.776 266 3HG2 ILE 34 3HG2 ILE 34 8.917 -5.601 5.120 267 1HD1 ILE 34 1HD1 ILE 34 13.200 -4.701 7.030 268 2HD1 ILE 34 2HD1 ILE 34 14.233 -4.185 5.692 269 3HD1 ILE 34 3HD1 ILE 34 13.125 -3.039 6.436 270 H PHE 35 H PHE 35 7.908 -3.317 4.309 271 HA PHE 35 HA PHE 35 6.565 -4.443 6.575 272 1HB PHE 35 2HB PHE 35 5.952 -2.109 6.865 273 2HB PHE 35 1HB PHE 35 4.567 -3.153 6.626 274 HD1 PHE 35 HD1 PHE 35 6.857 -0.854 4.647 275 HD2 PHE 35 HD2 PHE 35 2.870 -2.390 5.240 276 HE1 PHE 35 HE1 PHE 35 5.973 0.751 2.987 277 HE2 PHE 35 HE2 PHE 35 2.006 -0.801 3.607 278 HZ PHE 35 HZ PHE 35 3.576 0.773 2.412 279 H ALA 36 H ALA 36 4.269 -5.126 5.782 280 HA ALA 36 HA ALA 36 4.338 -5.943 2.925 281 1HB ALA 36 2HB ALA 36 3.187 -8.078 3.711 282 2HB ALA 36 3HB ALA 36 4.905 -7.948 4.129 283 3HB ALA 36 1HB ALA 36 3.663 -7.654 5.355 284 H PHE 37 H PHE 37 2.210 -6.352 2.102 285 HA PHE 37 HA PHE 37 0.044 -4.697 3.329 286 1HB PHE 37 1HB PHE 37 0.963 -5.243 0.478 287 2HB PHE 37 2HB PHE 37 -0.612 -4.612 0.819 288 HD1 PHE 37 HD1 PHE 37 -0.398 -2.423 2.647 289 HD2 PHE 37 HD2 PHE 37 2.331 -3.631 -0.444 290 HE1 PHE 37 HE1 PHE 37 0.008 -0.086 2.091 291 HE2 PHE 37 HE2 PHE 37 2.757 -1.298 -1.004 292 HZ PHE 37 HZ PHE 37 1.569 0.532 0.208 293 H LYS 38 H LYS 38 -1.364 -6.321 4.284 294 HA LYS 38 HA LYS 38 -1.868 -8.736 2.766 295 1HB LYS 38 1HB LYS 38 -2.597 -7.747 5.395 296 2HB LYS 38 2HB LYS 38 -4.087 -8.147 4.593 297 1HG LYS 38 1HG LYS 38 -3.158 -10.394 4.009 298 2HG LYS 38 2HG LYS 38 -1.671 -9.987 4.857 299 1HD LYS 38 1HD LYS 38 -2.898 -9.798 6.983 300 2HD LYS 38 2HD LYS 38 -4.431 -10.136 6.141 301 1HE LYS 38 1HE LYS 38 -3.682 -12.347 5.475 302 2HE LYS 38 2HE LYS 38 -2.035 -12.002 6.007 303 1HZ LYS 38 1HZ LYS 38 -4.295 -12.154 7.896 304 2HZ LYS 38 2HZ LYS 38 -3.291 -13.389 7.518 305 3HZ LYS 38 3HZ LYS 38 -2.654 -12.080 8.227 306 H VAL 39 H VAL 39 -2.804 -8.745 0.894 307 HA VAL 39 HA VAL 39 -5.145 -7.002 0.456 308 HB VAL 39 HB VAL 39 -3.724 -8.770 -1.617 309 1HG1 VAL 39 1HG1 VAL 39 -5.914 -7.848 -2.206 310 2HG1 VAL 39 2HG1 VAL 39 -5.327 -6.217 -1.866 311 3HG1 VAL 39 3HG1 VAL 39 -4.631 -7.132 -3.206 312 1HG2 VAL 39 1HG2 VAL 39 -1.915 -7.357 -0.722 313 2HG2 VAL 39 2HG2 VAL 39 -2.308 -7.105 -2.405 314 3HG2 VAL 39 3HG2 VAL 39 -2.864 -5.928 -1.191 315 H LYS 40 H LYS 40 -6.850 -8.229 1.423 316 HA LYS 40 HA LYS 40 -7.129 -11.070 0.490 317 1HB LYS 40 1HB LYS 40 -9.156 -11.107 2.075 318 2HB LYS 40 2HB LYS 40 -7.549 -11.243 2.698 319 1HG LYS 40 1HG LYS 40 -8.697 -9.909 4.239 320 2HG LYS 40 2HG LYS 40 -7.612 -8.822 3.392 321 1HD LYS 40 2HD LYS 40 -9.617 -8.204 1.911 322 2HD LYS 40 1HD LYS 40 -9.613 -7.644 3.599 323 1HE LYS 40 1HE LYS 40 -11.194 -10.028 2.501 324 2HE LYS 40 2HE LYS 40 -11.157 -9.508 4.189 325 1HZ LYS 40 1HZ LYS 40 -12.173 -7.805 1.970 326 2HZ LYS 40 2HZ LYS 40 -13.097 -8.690 2.997 327 3HZ LYS 40 3HZ LYS 40 -12.173 -7.418 3.526 328 H ASP 41 H ASP 41 -9.438 -11.532 -0.005 329 HA ASP 41 HA ASP 41 -11.116 -11.435 -1.515 330 1HB ASP 41 1HB ASP 41 -11.774 -10.013 0.566 331 2HB ASP 41 2HB ASP 41 -11.566 -8.619 -0.461 332 H GLY 42 H GLY 42 -9.021 -11.165 -2.980 333 1HA GLY 42 1HA GLY 42 -8.825 -8.949 -4.729 334 2HA GLY 42 2HA GLY 42 -8.404 -10.619 -5.100 335 HA PRO 43 HA PRO 43 -12.067 -9.776 -7.909 336 1HB PRO 43 1HB PRO 43 -10.482 -9.934 -10.196 337 2HB PRO 43 2HB PRO 43 -11.041 -8.409 -9.450 338 1HG PRO 43 1HG PRO 43 -8.354 -9.783 -9.140 339 2HG PRO 43 2HG PRO 43 -8.673 -8.053 -9.404 340 1HD PRO 43 1HD PRO 43 -8.206 -8.992 -6.914 341 2HD PRO 43 2HD PRO 43 -9.447 -7.753 -7.208 342 H GLY 44 H GLY 44 -12.435 -11.806 -6.848 343 1HA GLY 44 1HA GLY 44 -12.362 -14.272 -7.901 344 2HA GLY 44 2HA GLY 44 -10.685 -14.093 -7.382 345 H GLY 45 H GLY 45 -10.336 -13.326 -5.054 346 1HA GLY 45 1HA GLY 45 -11.762 -13.031 -2.948 347 2HA GLY 45 2HA GLY 45 -12.290 -14.679 -3.277 348 H LYS 46 H LYS 46 -9.244 -15.048 -4.355 349 HA LYS 46 HA LYS 46 -8.177 -16.005 -1.834 350 1HB LYS 46 1HB LYS 46 -7.082 -15.745 -4.645 351 2HB LYS 46 2HB LYS 46 -6.096 -16.328 -3.295 352 1HG LYS 46 1HG LYS 46 -7.744 -18.115 -2.893 353 2HG LYS 46 2HG LYS 46 -8.622 -17.633 -4.352 354 1HD LYS 46 1HD LYS 46 -5.644 -18.085 -4.600 355 2HD LYS 46 2HD LYS 46 -6.639 -19.487 -4.253 356 1HE LYS 46 1HE LYS 46 -7.547 -17.731 -6.494 357 2HE LYS 46 2HE LYS 46 -6.043 -18.632 -6.741 358 1HZ LYS 46 1HZ LYS 46 -8.602 -19.863 -5.936 359 2HZ LYS 46 2HZ LYS 46 -8.024 -19.862 -7.452 360 3HZ LYS 46 3HZ LYS 46 -7.199 -20.664 -6.250 361 H GLU 47 H GLU 47 -5.513 -15.241 -1.872 362 HA GLU 47 HA GLU 47 -5.694 -12.439 -0.928 363 1HB GLU 47 1HB GLU 47 -5.717 -14.361 0.753 364 2HB GLU 47 2HB GLU 47 -4.084 -14.772 0.228 365 1HG GLU 47 1HG GLU 47 -3.226 -12.651 1.057 366 2HG GLU 47 2HG GLU 47 -4.873 -12.052 1.340 367 H ALA 48 H ALA 48 -3.548 -11.314 -0.938 368 HA ALA 48 HA ALA 48 -1.368 -12.351 -2.628 369 1HB ALA 48 2HB ALA 48 -2.819 -9.762 -3.304 370 2HB ALA 48 1HB ALA 48 -2.837 -11.265 -4.259 371 3HB ALA 48 3HB ALA 48 -1.333 -10.385 -4.011 372 H THR 49 H THR 49 0.511 -10.663 -2.263 373 HA THR 49 HA THR 49 0.091 -8.654 -0.213 374 HB THR 49 HB THR 49 1.935 -11.043 0.255 375 HG1 THR 49 HG1 THR 49 -0.042 -11.256 1.208 376 1HG2 THR 49 1HG2 THR 49 2.093 -8.292 1.536 377 2HG2 THR 49 2HG2 THR 49 2.825 -9.761 2.235 378 3HG2 THR 49 3HG2 THR 49 3.379 -9.172 0.684 379 H TRP 50 H TRP 50 1.308 -6.908 -0.764 380 HA TRP 50 HA TRP 50 3.667 -7.291 -2.568 381 1HB TRP 50 1HB TRP 50 1.688 -5.068 -2.044 382 2HB TRP 50 2HB TRP 50 3.386 -4.580 -2.148 383 HD1 TRP 50 HD1 TRP 50 4.090 -3.926 -4.644 384 HE1 TRP 50 HE1 TRP 50 3.334 -4.634 -6.981 385 HE3 TRP 50 HE3 TRP 50 0.357 -7.156 -3.310 386 HZ2 TRP 50 HZ2 TRP 50 1.735 -6.792 -8.051 387 HZ3 TRP 50 HZ3 TRP 50 -0.790 -8.515 -5.006 388 HH2 TRP 50 HH2 TRP 50 -0.124 -8.384 -7.367 389 H VAL 51 H VAL 51 5.671 -7.231 -1.480 390 HA VAL 51 HA VAL 51 5.788 -6.357 1.361 391 HB VAL 51 HB VAL 51 7.941 -7.517 -0.448 392 1HG1 VAL 51 1HG1 VAL 51 7.971 -7.015 2.569 393 2HG1 VAL 51 2HG1 VAL 51 9.223 -7.878 1.653 394 3HG1 VAL 51 3HG1 VAL 51 8.954 -6.169 1.361 395 1HG2 VAL 51 1HG2 VAL 51 6.183 -8.880 1.588 396 2HG2 VAL 51 2HG2 VAL 51 6.352 -9.247 -0.142 397 3HG2 VAL 51 3HG2 VAL 51 7.693 -9.579 0.947 398 H VAL 52 H VAL 52 7.064 -4.410 1.905 399 HA VAL 52 HA VAL 52 7.889 -2.768 -0.443 400 HB VAL 52 HB VAL 52 6.573 -1.663 2.032 401 1HG1 VAL 52 1HG1 VAL 52 7.921 -0.150 0.578 402 2HG1 VAL 52 2HG1 VAL 52 6.870 -0.551 -0.789 403 3HG1 VAL 52 3HG1 VAL 52 6.212 0.314 0.613 404 1HG2 VAL 52 1HG2 VAL 52 5.094 -2.387 -0.522 405 2HG2 VAL 52 2HG2 VAL 52 4.815 -3.064 1.101 406 3HG2 VAL 52 3HG2 VAL 52 4.478 -1.369 0.803 407 H ASP 53 H ASP 53 10.029 -2.278 -0.238 408 HA ASP 53 HA ASP 53 11.293 -2.449 2.418 409 1HB ASP 53 1HB ASP 53 12.120 -3.312 -0.134 410 2HB ASP 53 2HB ASP 53 12.959 -1.803 0.060 411 H VAL 54 H VAL 54 10.903 -0.470 3.491 412 HA VAL 54 HA VAL 54 11.874 1.875 2.057 413 HB VAL 54 HB VAL 54 9.923 3.222 3.166 414 1HG1 VAL 54 1HG1 VAL 54 10.298 3.089 0.797 415 2HG1 VAL 54 2HG1 VAL 54 9.360 1.584 0.691 416 3HG1 VAL 54 3HG1 VAL 54 8.560 3.103 1.182 417 1HG2 VAL 54 1HG2 VAL 54 8.926 1.371 4.439 418 2HG2 VAL 54 2HG2 VAL 54 7.789 2.085 3.286 419 3HG2 VAL 54 3HG2 VAL 54 8.533 0.528 2.929 420 H LYS 55 H LYS 55 13.481 0.703 3.527 421 HA LYS 55 HA LYS 55 13.880 2.749 5.603 422 1HB LYS 55 1HB LYS 55 13.090 0.478 6.713 423 2HB LYS 55 2HB LYS 55 14.719 -0.068 6.342 424 1HG LYS 55 1HG LYS 55 15.444 2.219 7.412 425 2HG LYS 55 2HG LYS 55 13.825 2.229 8.113 426 1HD LYS 55 1HD LYS 55 15.825 -0.039 8.415 427 2HD LYS 55 2HD LYS 55 15.732 1.341 9.503 428 1HE LYS 55 1HE LYS 55 13.415 0.741 10.131 429 2HE LYS 55 2HE LYS 55 13.465 -0.642 9.005 430 1HZ LYS 55 1HZ LYS 55 15.272 -0.307 11.325 431 2HZ LYS 55 2HZ LYS 55 13.987 -1.359 11.263 432 3HZ LYS 55 3HZ LYS 55 15.256 -1.561 10.273 433 H ASN 56 H ASN 56 15.244 -0.095 4.016 434 HA ASN 56 HA ASN 56 18.037 0.721 4.266 435 1HB ASN 56 1HB ASN 56 16.467 -1.543 3.010 436 2HB ASN 56 2HB ASN 56 18.078 -1.263 2.454 437 2HD2 ASN 56 1HD2 ASN 56 16.192 -2.392 5.122 438 1HD2 ASN 56 2HD2 ASN 56 17.531 -3.081 6.015 439 H GLY 57 H GLY 57 19.297 1.788 2.588 440 1HA GLY 57 1HA GLY 57 19.786 2.654 0.502 441 2HA GLY 57 2HA GLY 57 18.508 1.637 -0.184 442 H LYS 58 H LYS 58 17.356 3.044 -1.371 443 HA LYS 58 HA LYS 58 16.152 5.432 -0.096 444 1HB LYS 58 2HB LYS 58 16.014 6.470 -2.105 445 2HB LYS 58 1HB LYS 58 15.939 4.994 -3.029 446 1HG LYS 58 2HG LYS 58 17.827 6.244 -3.596 447 2HG LYS 58 1HG LYS 58 18.323 4.689 -2.915 448 1HD LYS 58 1HD LYS 58 18.341 7.345 -1.429 449 2HD LYS 58 2HD LYS 58 18.978 5.820 -0.806 450 1HE LYS 58 1HE LYS 58 20.730 5.741 -2.448 451 2HE LYS 58 2HE LYS 58 19.965 7.002 -3.418 452 1HZ LYS 58 1HZ LYS 58 21.061 7.516 -0.729 453 2HZ LYS 58 2HZ LYS 58 21.850 7.802 -2.154 454 3HZ LYS 58 3HZ LYS 58 20.490 8.621 -1.819 455 H GLY 59 H GLY 59 15.530 2.222 -0.501 456 1HA GLY 59 1HA GLY 59 13.437 1.267 -0.151 457 2HA GLY 59 2HA GLY 59 12.626 2.735 -0.654 458 H SER 60 H SER 60 12.072 0.180 -1.561 459 HA SER 60 HA SER 60 11.667 0.445 -4.287 460 1HB SER 60 1HB SER 60 13.764 -1.608 -3.381 461 2HB SER 60 2HB SER 60 12.765 -1.943 -4.762 462 HG SER 60 HG SER 60 13.586 -0.052 -5.797 463 H VAL 61 H VAL 61 10.367 -1.562 -4.947 464 HA VAL 61 HA VAL 61 8.867 -2.583 -2.581 465 HB VAL 61 HB VAL 61 7.716 -2.084 -5.333 466 1HG1 VAL 61 1HG1 VAL 61 6.483 -2.600 -2.595 467 2HG1 VAL 61 2HG1 VAL 61 5.550 -2.029 -4.001 468 3HG1 VAL 61 3HG1 VAL 61 6.374 -3.582 -4.083 469 1HG2 VAL 61 1HG2 VAL 61 7.610 -0.216 -2.916 470 2HG2 VAL 61 2HG2 VAL 61 8.413 0.107 -4.459 471 3HG2 VAL 61 3HG2 VAL 61 6.653 -0.041 -4.403 472 H LEU 62 H LEU 62 7.974 -4.794 -2.896 473 HA LEU 62 HA LEU 62 9.984 -6.443 -4.371 474 1HB LEU 62 1HB LEU 62 9.262 -6.230 -1.454 475 2HB LEU 62 2HB LEU 62 10.069 -7.660 -2.097 476 HG LEU 62 HG LEU 62 11.182 -4.820 -2.329 477 1HD1 LEU 62 1HD1 LEU 62 11.727 -6.976 -0.267 478 2HD1 LEU 62 2HD1 LEU 62 12.693 -5.499 -0.505 479 3HD1 LEU 62 3HD1 LEU 62 11.006 -5.364 -0.008 480 1HD2 LEU 62 1HD2 LEU 62 12.361 -7.584 -2.812 481 2HD2 LEU 62 2HD2 LEU 62 12.135 -6.278 -3.998 482 3HD2 LEU 62 3HD2 LEU 62 13.320 -6.058 -2.722 483 HA PRO 63 HA PRO 63 5.575 -7.746 -4.858 484 1HB PRO 63 1HB PRO 63 5.588 -8.336 -7.543 485 2HB PRO 63 2HB PRO 63 5.340 -6.693 -6.884 486 1HG PRO 63 2HG PRO 63 7.219 -6.282 -8.263 487 2HG PRO 63 1HG PRO 63 7.893 -7.913 -7.954 488 1HD PRO 63 1HD PRO 63 9.188 -6.736 -6.425 489 2HD PRO 63 2HD PRO 63 7.938 -5.482 -6.182 490 H ASN 64 H ASN 64 4.768 -9.771 -4.807 491 HA ASN 64 HA ASN 64 4.675 -11.856 -4.320 492 1HB ASN 64 2HB ASN 64 5.169 -13.334 -6.013 493 2HB ASN 64 1HB ASN 64 6.724 -12.566 -6.396 494 2HD2 ASN 64 1HD2 ASN 64 6.694 -11.937 -8.513 495 1HD2 ASN 64 2HD2 ASN 64 5.390 -10.956 -9.133 496 H SER 65 H SER 65 6.919 -10.339 -2.890 497 HA SER 65 HA SER 65 9.150 -12.223 -3.075 498 1HB SER 65 1HB SER 65 9.539 -9.793 -3.066 499 2HB SER 65 2HB SER 65 8.969 -9.725 -1.383 500 HG SER 65 HG SER 65 11.280 -11.027 -2.439 501 H ASP 66 H ASP 66 9.827 -13.596 -1.665 502 HA ASP 66 HA ASP 66 8.240 -14.423 0.663 503 1HB ASP 66 1HB ASP 66 10.794 -15.495 -0.603 504 2HB ASP 66 2HB ASP 66 10.047 -16.195 0.829 505 H LYS 67 H LYS 67 10.630 -11.959 0.263 506 HA LYS 67 HA LYS 67 12.010 -12.457 2.763 507 1HB LYS 67 1HB LYS 67 11.549 -9.889 1.192 508 2HB LYS 67 2HB LYS 67 12.305 -9.933 2.792 509 1HG LYS 67 1HG LYS 67 13.959 -11.663 1.827 510 2HG LYS 67 2HG LYS 67 13.352 -11.147 0.235 511 1HD LYS 67 1HD LYS 67 13.934 -8.798 0.828 512 2HD LYS 67 2HD LYS 67 14.618 -9.342 2.363 513 1HE LYS 67 1HE LYS 67 15.547 -10.391 -0.336 514 2HE LYS 67 2HE LYS 67 16.221 -8.924 0.364 515 1HZ LYS 67 1HZ LYS 67 16.348 -11.568 1.700 516 2HZ LYS 67 2HZ LYS 67 17.525 -10.916 0.782 517 3HZ LYS 67 3HZ LYS 67 17.138 -10.185 2.160 518 H LYS 68 H LYS 68 11.560 -11.649 4.765 519 HA LYS 68 HA LYS 68 8.836 -11.797 5.569 520 1HB LYS 68 1HB LYS 68 9.820 -11.947 7.731 521 2HB LYS 68 2HB LYS 68 10.981 -12.691 6.676 522 1HG LYS 68 1HG LYS 68 12.149 -10.395 6.528 523 2HG LYS 68 2HG LYS 68 11.111 -9.887 7.865 524 1HD LYS 68 1HD LYS 68 11.991 -11.642 9.300 525 2HD LYS 68 2HD LYS 68 13.011 -12.259 7.972 526 1HE LYS 68 1HE LYS 68 14.461 -10.496 8.003 527 2HE LYS 68 2HE LYS 68 13.228 -9.343 8.543 528 1HZ LYS 68 1HZ LYS 68 14.254 -11.401 10.371 529 2HZ LYS 68 2HZ LYS 68 15.000 -9.945 10.162 530 3HZ LYS 68 3HZ LYS 68 13.467 -9.992 10.722 531 H ALA 69 H ALA 69 8.591 -9.997 7.606 532 HA ALA 69 HA ALA 69 9.212 -7.321 6.690 533 1HB ALA 69 3HB ALA 69 7.186 -7.530 5.378 534 2HB ALA 69 2HB ALA 69 6.795 -6.559 6.809 535 3HB ALA 69 1HB ALA 69 6.299 -8.249 6.752 536 H ASP 70 H ASP 70 9.531 -6.086 8.305 537 HA ASP 70 HA ASP 70 9.778 -6.619 10.945 538 1HB ASP 70 1HB ASP 70 9.901 -4.337 9.267 539 2HB ASP 70 2HB ASP 70 8.820 -3.849 10.552 540 H CYS 71 H CYS 71 6.976 -5.178 9.425 541 HA CYS 71 HA CYS 71 5.062 -6.376 11.218 542 1HB CYS 71 1HB CYS 71 5.469 -3.357 11.116 543 2HB CYS 71 2HB CYS 71 3.910 -4.087 11.554 544 H THR 72 H THR 72 2.789 -5.731 10.232 545 HA THR 72 HA THR 72 3.055 -5.454 7.268 546 HB THR 72 HB THR 72 1.413 -7.463 8.864 547 HG1 THR 72 HG1 THR 72 3.617 -8.009 8.719 548 1HG2 THR 72 1HG2 THR 72 1.360 -6.769 5.924 549 2HG2 THR 72 2HG2 THR 72 1.301 -8.446 6.385 550 3HG2 THR 72 3HG2 THR 72 0.073 -7.345 6.991 551 H ILE 73 H ILE 73 0.416 -5.257 6.543 552 HA ILE 73 HA ILE 73 -1.123 -3.917 8.573 553 HB ILE 73 HB ILE 73 0.135 -2.167 6.963 554 1HG1 ILE 73 1HG1 ILE 73 -2.541 -2.317 8.236 555 2HG1 ILE 73 2HG1 ILE 73 -1.131 -1.405 8.646 556 1HG2 ILE 73 1HG2 ILE 73 -0.646 -3.332 4.883 557 2HG2 ILE 73 2HG2 ILE 73 -2.295 -2.846 5.243 558 3HG2 ILE 73 3HG2 ILE 73 -1.072 -1.610 4.941 559 1HD1 ILE 73 1HD1 ILE 73 -1.726 0.076 6.522 560 2HD1 ILE 73 2HD1 ILE 73 -3.296 -0.773 6.588 561 3HD1 ILE 73 3HD1 ILE 73 -2.769 0.229 7.954 562 H THR 74 H THR 74 -3.618 -3.980 7.681 563 HA THR 74 HA THR 74 -3.780 -5.882 5.367 564 HB THR 74 HB THR 74 -4.895 -6.298 7.880 565 HG1 THR 74 HG1 THR 74 -6.270 -7.699 6.832 566 1HG2 THR 74 1HG2 THR 74 -6.342 -4.344 7.565 567 2HG2 THR 74 2HG2 THR 74 -7.060 -5.111 6.123 568 3HG2 THR 74 3HG2 THR 74 -7.254 -5.851 7.720 569 H MET 75 H MET 75 -5.417 -5.178 3.736 570 HA MET 75 HA MET 75 -6.975 -2.848 4.400 571 1HB MET 75 1HB MET 75 -4.781 -2.483 2.477 572 2HB MET 75 2HB MET 75 -6.319 -1.888 1.929 573 1HG MET 75 1HG MET 75 -6.099 -0.060 3.126 574 2HG MET 75 2HG MET 75 -5.965 -0.968 4.617 575 1HE MET 75 1HE MET 75 -4.885 1.342 5.238 576 2HE MET 75 2HE MET 75 -3.268 1.884 4.757 577 3HE MET 75 3HE MET 75 -4.635 2.003 3.620 578 H ALA 76 H ALA 76 -6.088 -5.158 1.837 579 HA ALA 76 HA ALA 76 -7.605 -6.740 0.890 580 1HB ALA 76 1HB ALA 76 -9.687 -5.890 2.166 581 2HB ALA 76 2HB ALA 76 -9.836 -4.672 0.899 582 3HB ALA 76 3HB ALA 76 -9.938 -6.375 0.475 583 H ASP 77 H ASP 77 -8.325 -6.827 -1.314 584 HA ASP 77 HA ASP 77 -6.948 -5.156 -3.185 585 1HB ASP 77 1HB ASP 77 -7.877 -7.464 -3.499 586 2HB ASP 77 2HB ASP 77 -9.487 -6.815 -3.526 587 H SER 78 H SER 78 -10.235 -5.389 -2.135 588 HA SER 78 HA SER 78 -11.506 -3.525 -3.787 589 1HB SER 78 2HB SER 78 -13.366 -3.767 -2.374 590 2HB SER 78 1HB SER 78 -12.386 -3.703 -0.904 591 HG SER 78 HG SER 78 -12.579 -5.903 -2.713 592 H ASP 79 H ASP 79 -9.875 -3.056 -0.768 593 HA ASP 79 HA ASP 79 -10.301 -0.210 -0.360 594 1HB ASP 79 1HB ASP 79 -9.998 -1.995 1.364 595 2HB ASP 79 2HB ASP 79 -8.316 -2.112 0.871 596 H PHE 80 H PHE 80 -7.283 -2.093 -0.946 597 HA PHE 80 HA PHE 80 -5.620 0.086 -1.407 598 1HB PHE 80 1HB PHE 80 -5.508 -2.704 -2.623 599 2HB PHE 80 2HB PHE 80 -4.252 -1.499 -2.851 600 HD1 PHE 80 HD1 PHE 80 -3.402 -0.368 -0.479 601 HD2 PHE 80 HD2 PHE 80 -4.930 -4.323 -1.078 602 HE1 PHE 80 HE1 PHE 80 -2.148 -1.149 1.485 603 HE2 PHE 80 HE2 PHE 80 -3.633 -5.135 0.867 604 HZ PHE 80 HZ PHE 80 -2.237 -3.582 2.184 605 H LEU 81 H LEU 81 -7.629 -1.668 -3.840 606 HA LEU 81 HA LEU 81 -6.751 -0.060 -6.048 607 1HB LEU 81 1HB LEU 81 -8.033 -2.262 -6.205 608 2HB LEU 81 2HB LEU 81 -9.468 -1.394 -5.727 609 HG LEU 81 HG LEU 81 -8.791 0.228 -7.739 610 1HD1 LEU 81 1HD1 LEU 81 -6.615 -1.004 -8.195 611 2HD1 LEU 81 2HD1 LEU 81 -7.580 -2.397 -8.714 612 3HD1 LEU 81 3HD1 LEU 81 -7.685 -0.867 -9.592 613 1HD2 LEU 81 1HD2 LEU 81 -10.022 -2.520 -8.236 614 2HD2 LEU 81 2HD2 LEU 81 -10.873 -1.056 -7.663 615 3HD2 LEU 81 3HD2 LEU 81 -10.167 -1.089 -9.287 616 H ALA 82 H ALA 82 -9.825 0.053 -4.237 617 HA ALA 82 HA ALA 82 -10.866 2.232 -5.631 618 1HB ALA 82 2HB ALA 82 -12.497 2.443 -3.751 619 2HB ALA 82 3HB ALA 82 -12.254 0.754 -4.222 620 3HB ALA 82 1HB ALA 82 -11.467 1.381 -2.774 621 H LEU 83 H LEU 83 -9.023 2.290 -2.587 622 HA LEU 83 HA LEU 83 -9.489 4.895 -1.740 623 1HB LEU 83 1HB LEU 83 -8.306 3.155 -0.443 624 2HB LEU 83 2HB LEU 83 -6.971 3.177 -1.587 625 HG LEU 83 HG LEU 83 -6.614 5.652 -0.952 626 1HD1 LEU 83 1HD1 LEU 83 -8.487 4.843 1.322 627 2HD1 LEU 83 2HD1 LEU 83 -7.478 6.307 1.270 628 3HD1 LEU 83 3HD1 LEU 83 -8.796 6.099 0.103 629 1HD2 LEU 83 1HD2 LEU 83 -6.278 3.529 1.193 630 2HD2 LEU 83 2HD2 LEU 83 -5.166 3.862 -0.166 631 3HD2 LEU 83 3HD2 LEU 83 -5.407 5.081 1.096 632 H MET 84 H MET 84 -6.590 3.845 -3.611 633 HA MET 84 HA MET 84 -6.016 6.593 -4.339 634 1HB MET 84 1HB MET 84 -3.997 5.598 -5.348 635 2HB MET 84 2HB MET 84 -4.261 5.340 -3.640 636 1HG MET 84 1HG MET 84 -5.209 3.021 -4.489 637 2HG MET 84 2HG MET 84 -4.128 3.339 -5.836 638 1HE MET 84 1HE MET 84 -1.839 4.700 -5.150 639 2HE MET 84 2HE MET 84 -0.712 3.951 -4.038 640 3HE MET 84 3HE MET 84 -1.247 3.059 -5.480 641 H THR 85 H THR 85 -7.884 4.050 -5.883 642 HA THR 85 HA THR 85 -7.670 5.242 -8.518 643 HB THR 85 HB THR 85 -9.477 3.128 -7.319 644 HG1 THR 85 HG1 THR 85 -7.455 2.463 -7.330 645 1HG2 THR 85 1HG2 THR 85 -9.161 3.956 -10.215 646 2HG2 THR 85 2HG2 THR 85 -9.650 2.311 -9.725 647 3HG2 THR 85 3HG2 THR 85 -10.647 3.697 -9.283 648 H GLY 86 H GLY 86 -8.770 6.854 -5.951 649 1HA GLY 86 1HA GLY 86 -10.333 8.533 -5.665 650 2HA GLY 86 2HA GLY 86 -10.384 8.613 -7.438 651 H LYS 87 H LYS 87 -11.300 6.035 -5.163 652 HA LYS 87 HA LYS 87 -14.129 6.174 -6.013 653 1HB LYS 87 1HB LYS 87 -12.744 4.503 -7.315 654 2HB LYS 87 2HB LYS 87 -12.585 3.595 -5.811 655 1HG LYS 87 1HG LYS 87 -14.935 3.139 -5.718 656 2HG LYS 87 2HG LYS 87 -15.311 4.402 -6.901 657 1HD LYS 87 1HD LYS 87 -14.261 3.140 -8.688 658 2HD LYS 87 2HD LYS 87 -13.723 1.885 -7.567 659 1HE LYS 87 1HE LYS 87 -16.643 2.646 -8.049 660 2HE LYS 87 2HE LYS 87 -15.815 1.340 -8.896 661 1HZ LYS 87 1HZ LYS 87 -15.445 0.264 -6.724 662 2HZ LYS 87 2HZ LYS 87 -16.323 1.435 -5.983 663 3HZ LYS 87 3HZ LYS 87 -17.039 0.474 -7.081 664 H MET 88 H MET 88 -12.695 7.106 -3.681 665 HA MET 88 HA MET 88 -12.981 7.442 -1.502 666 1HB MET 88 1HB MET 88 -15.286 5.463 -1.605 667 2HB MET 88 2HB MET 88 -14.855 6.491 -0.247 668 1HG MET 88 1HG MET 88 -15.465 8.482 -1.505 669 2HG MET 88 2HG MET 88 -15.657 7.517 -2.969 670 1HE MET 88 1HE MET 88 -16.583 7.452 0.713 671 2HE MET 88 2HE MET 88 -17.753 8.725 0.330 672 3HE MET 88 3HE MET 88 -18.314 7.094 0.766 673 H ASN 89 H ASN 89 -13.784 4.044 -1.766 674 HA ASN 89 HA ASN 89 -14.086 2.679 -0.214 675 1HB ASN 89 1HB ASN 89 -11.436 2.183 -0.768 676 2HB ASN 89 2HB ASN 89 -11.459 2.295 0.994 677 2HD2 ASN 89 1HD2 ASN 89 -12.113 0.082 -1.576 678 1HD2 ASN 89 2HD2 ASN 89 -13.399 -0.806 -0.810 679 HA PRO 90 HA PRO 90 -14.583 5.818 3.000 680 1HB PRO 90 1HB PRO 90 -17.071 5.069 3.903 681 2HB PRO 90 2HB PRO 90 -16.794 6.067 2.455 682 1HG PRO 90 2HG PRO 90 -18.013 4.297 1.461 683 2HG PRO 90 1HG PRO 90 -17.334 3.096 2.606 684 1HD PRO 90 1HD PRO 90 -15.922 2.635 0.842 685 2HD PRO 90 2HD PRO 90 -16.088 4.271 0.144 686 H GLN 91 H GLN 91 -13.018 5.114 4.303 687 HA GLN 91 HA GLN 91 -11.994 4.323 6.159 688 1HB GLN 91 1HB GLN 91 -14.494 2.649 6.726 689 2HB GLN 91 2HB GLN 91 -13.059 2.652 7.693 690 1HG GLN 91 1HG GLN 91 -13.352 4.930 8.369 691 2HG GLN 91 2HG GLN 91 -14.573 5.215 7.123 692 2HE2 GLN 91 1HE2 GLN 91 -16.472 5.625 8.221 693 1HE2 GLN 91 2HE2 GLN 91 -17.073 4.670 9.536 694 H SER 92 H SER 92 -10.254 3.119 5.640 695 HA SER 92 HA SER 92 -10.345 1.020 3.723 696 1HB SER 92 1HB SER 92 -8.300 2.143 5.687 697 2HB SER 92 2HB SER 92 -7.855 0.852 4.612 698 HG SER 92 HG SER 92 -8.493 2.096 2.848 699 H ALA 93 H ALA 93 -8.287 -0.029 6.421 700 HA ALA 93 HA ALA 93 -9.739 -2.485 6.488 701 1HB ALA 93 2HB ALA 93 -7.589 -1.343 8.355 702 2HB ALA 93 3HB ALA 93 -8.011 -3.050 8.196 703 3HB ALA 93 1HB ALA 93 -7.215 -2.184 6.851 704 H PHE 94 H PHE 94 -10.157 0.406 8.254 705 HA PHE 94 HA PHE 94 -11.356 -0.674 10.587 706 1HB PHE 94 1HB PHE 94 -12.395 1.938 9.634 707 2HB PHE 94 2HB PHE 94 -11.777 1.475 11.192 708 HD1 PHE 94 HD1 PHE 94 -9.330 1.630 11.699 709 HD2 PHE 94 HD2 PHE 94 -10.904 2.764 7.861 710 HE1 PHE 94 HE1 PHE 94 -7.181 2.725 11.129 711 HE2 PHE 94 HE2 PHE 94 -8.752 3.840 7.275 712 HZ PHE 94 HZ PHE 94 -6.872 3.806 8.904 713 H PHE 95 H PHE 95 -12.674 0.054 7.276 714 HA PHE 95 HA PHE 95 -15.415 -0.194 7.893 715 1HB PHE 95 1HB PHE 95 -14.869 0.634 5.766 716 2HB PHE 95 2HB PHE 95 -13.741 -0.674 5.434 717 HD1 PHE 95 HD1 PHE 95 -17.439 -0.396 6.236 718 HD2 PHE 95 HD2 PHE 95 -14.362 -2.095 3.731 719 HE1 PHE 95 HE1 PHE 95 -19.161 -1.583 4.910 720 HE2 PHE 95 HE2 PHE 95 -16.100 -3.275 2.402 721 HZ PHE 95 HZ PHE 95 -18.509 -2.997 2.971 722 H GLN 96 H GLN 96 -13.219 -2.812 6.560 723 HA GLN 96 HA GLN 96 -15.131 -4.835 7.105 724 1HB GLN 96 1HB GLN 96 -13.273 -6.350 6.589 725 2HB GLN 96 2HB GLN 96 -13.464 -5.038 5.434 726 1HG GLN 96 1HG GLN 96 -11.570 -3.902 6.778 727 2HG GLN 96 2HG GLN 96 -11.204 -5.544 7.294 728 2HE2 GLN 96 1HE2 GLN 96 -9.493 -3.881 5.716 729 1HE2 GLN 96 2HE2 GLN 96 -9.494 -4.432 4.087 730 H GLY 97 H GLY 97 -12.618 -3.350 9.159 731 1HA GLY 97 1HA GLY 97 -12.087 -3.716 11.342 732 2HA GLY 97 2HA GLY 97 -13.453 -4.839 11.452 733 H LYS 98 H LYS 98 -10.955 -5.342 9.039 734 HA LYS 98 HA LYS 98 -10.249 -7.942 10.235 735 1HB LYS 98 1HB LYS 98 -9.336 -6.657 7.628 736 2HB LYS 98 2HB LYS 98 -8.718 -8.177 8.226 737 1HG LYS 98 1HG LYS 98 -11.602 -8.374 8.214 738 2HG LYS 98 2HG LYS 98 -11.063 -7.730 6.673 739 1HD LYS 98 1HD LYS 98 -11.099 -10.073 6.388 740 2HD LYS 98 2HD LYS 98 -9.412 -9.593 6.460 741 1HE LYS 98 1HE LYS 98 -9.802 -11.671 7.691 742 2HE LYS 98 2HE LYS 98 -9.233 -10.400 8.786 743 1HZ LYS 98 1HZ LYS 98 -12.068 -11.203 8.434 744 2HZ LYS 98 2HZ LYS 98 -11.104 -11.657 9.702 745 3HZ LYS 98 3HZ LYS 98 -11.537 -10.096 9.504 746 H LEU 99 H LEU 99 -9.636 -5.896 11.912 747 HA LEU 99 HA LEU 99 -7.945 -4.810 13.075 748 1HB LEU 99 2HB LEU 99 -8.491 -6.847 14.183 749 2HB LEU 99 1HB LEU 99 -6.781 -6.520 14.325 750 HG LEU 99 HG LEU 99 -6.617 -8.238 12.227 751 1HD1 LEU 99 1HD1 LEU 99 -7.038 -9.024 15.125 752 2HD1 LEU 99 2HD1 LEU 99 -6.238 -10.018 13.866 753 3HD1 LEU 99 3HD1 LEU 99 -5.516 -8.486 14.369 754 1HD2 LEU 99 1HD2 LEU 99 -9.138 -8.567 12.109 755 2HD2 LEU 99 2HD2 LEU 99 -8.201 -10.043 12.362 756 3HD2 LEU 99 3HD2 LEU 99 -9.067 -9.269 13.711 757 H LYS 100 H LYS 100 -6.892 -3.525 11.307 758 HA LYS 100 HA LYS 100 -4.836 -4.709 9.816 759 1HB LYS 100 2HB LYS 100 -6.171 -2.725 9.324 760 2HB LYS 100 1HB LYS 100 -4.548 -2.525 8.865 761 1HG LYS 100 2HG LYS 100 -5.643 -1.405 11.470 762 2HG LYS 100 1HG LYS 100 -5.730 -0.530 9.939 763 1HD LYS 100 1HD LYS 100 -3.399 -1.009 11.754 764 2HD LYS 100 2HD LYS 100 -3.067 -1.106 10.041 765 1HE LYS 100 1HE LYS 100 -2.596 1.112 10.663 766 2HE LYS 100 2HE LYS 100 -4.092 1.160 9.721 767 1HZ LYS 100 1HZ LYS 100 -5.295 1.280 11.834 768 2HZ LYS 100 2HZ LYS 100 -3.901 1.261 12.677 769 3HZ LYS 100 3HZ LYS 100 -4.210 2.534 11.679 770 H ILE 101 H ILE 101 -2.725 -4.846 10.034 771 HA ILE 101 HA ILE 101 -1.728 -5.005 12.682 772 HB ILE 101 HB ILE 101 -0.560 -5.503 9.913 773 1HG1 ILE 101 1HG1 ILE 101 -0.550 -7.897 10.789 774 2HG1 ILE 101 2HG1 ILE 101 -1.575 -7.345 12.111 775 1HG2 ILE 101 1HG2 ILE 101 0.751 -5.982 12.591 776 2HG2 ILE 101 2HG2 ILE 101 1.318 -6.653 11.046 777 3HG2 ILE 101 3HG2 ILE 101 1.307 -4.902 11.309 778 1HD1 ILE 101 1HD1 ILE 101 -2.271 -7.157 9.134 779 2HD1 ILE 101 2HD1 ILE 101 -2.761 -8.479 10.216 780 3HD1 ILE 101 3HD1 ILE 101 -3.369 -6.861 10.504 781 H THR 102 H THR 102 0.463 -3.982 13.315 782 HA THR 102 HA THR 102 0.619 -1.152 12.516 783 HB THR 102 HB THR 102 0.506 -0.719 15.109 784 HG1 THR 102 HG1 THR 102 -1.341 -2.832 15.017 785 1HG2 THR 102 1HG2 THR 102 -1.116 0.095 13.390 786 2HG2 THR 102 2HG2 THR 102 -2.038 -1.403 13.574 787 3HG2 THR 102 3HG2 THR 102 -1.884 -0.282 14.946 788 H GLY 103 H GLY 103 2.442 -0.146 14.114 789 1HA GLY 103 1HA GLY 103 4.624 -0.916 15.148 790 2HA GLY 103 2HA GLY 103 4.823 -1.907 13.697 791 H ASN 104 H ASN 104 4.206 -0.556 11.648 792 HA ASN 104 HA ASN 104 6.108 1.485 11.208 793 1HB ASN 104 2HB ASN 104 4.970 1.877 9.117 794 2HB ASN 104 1HB ASN 104 3.494 1.115 9.686 795 2HD2 ASN 104 1HD2 ASN 104 3.225 -1.120 9.062 796 1HD2 ASN 104 2HD2 ASN 104 4.616 -2.084 8.618 797 H MET 105 H MET 105 3.116 1.719 12.851 798 HA MET 105 HA MET 105 1.532 3.252 13.283 799 1HB MET 105 1HB MET 105 3.989 5.023 13.584 800 2HB MET 105 2HB MET 105 2.353 5.471 14.069 801 1HG MET 105 1HG MET 105 2.299 3.250 15.382 802 2HG MET 105 2HG MET 105 4.055 3.261 15.201 803 1HE MET 105 1HE MET 105 5.112 6.012 15.604 804 2HE MET 105 2HE MET 105 5.129 6.326 17.357 805 3HE MET 105 3HE MET 105 5.659 4.757 16.735 806 H GLY 106 H GLY 106 0.994 5.872 12.661 807 1HA GLY 106 1HA GLY 106 0.128 7.204 11.033 808 2HA GLY 106 2HA GLY 106 1.524 6.773 10.037 809 H LEU 107 H LEU 107 1.175 5.645 8.273 810 HA LEU 107 HA LEU 107 0.287 4.576 6.550 811 1HB LEU 107 1HB LEU 107 -0.980 2.960 8.762 812 2HB LEU 107 2HB LEU 107 -1.336 2.606 7.091 813 HG LEU 107 HG LEU 107 1.574 2.898 7.861 814 1HD1 LEU 107 1HD1 LEU 107 -0.182 0.524 8.508 815 2HD1 LEU 107 2HD1 LEU 107 1.592 0.399 8.325 816 3HD1 LEU 107 3HD1 LEU 107 0.882 1.418 9.601 817 1HD2 LEU 107 1HD2 LEU 107 0.444 2.409 5.498 818 2HD2 LEU 107 2HD2 LEU 107 1.972 1.630 5.984 819 3HD2 LEU 107 3HD2 LEU 107 0.421 0.761 6.080 820 H ALA 108 H ALA 108 -2.225 5.715 8.736 821 HA ALA 108 HA ALA 108 -4.355 5.905 6.845 822 1HB ALA 108 1HB ALA 108 -3.694 7.288 9.482 823 2HB ALA 108 2HB ALA 108 -5.213 7.536 8.605 824 3HB ALA 108 3HB ALA 108 -4.796 5.921 9.177 825 H MET 109 H MET 109 -2.475 8.733 8.194 826 HA MET 109 HA MET 109 -2.921 10.195 5.703 827 1HB MET 109 1HB MET 109 -1.430 10.868 8.264 828 2HB MET 109 2HB MET 109 -1.367 11.877 6.812 829 1HG MET 109 1HG MET 109 -3.972 11.712 6.852 830 2HG MET 109 2HG MET 109 -3.752 11.318 8.557 831 1HE MET 109 1HE MET 109 -4.982 13.898 6.565 832 2HE MET 109 2HE MET 109 -5.513 13.642 8.238 833 3HE MET 109 3HE MET 109 -4.856 15.222 7.737 834 H LYS 110 H LYS 110 -1.952 8.296 4.532 835 HA LYS 110 HA LYS 110 0.944 8.436 4.088 836 1HB LYS 110 1HB LYS 110 -1.343 6.715 3.276 837 2HB LYS 110 2HB LYS 110 -0.183 6.980 1.987 838 1HG LYS 110 1HG LYS 110 1.672 6.269 3.385 839 2HG LYS 110 2HG LYS 110 0.592 6.036 4.776 840 1HD LYS 110 1HD LYS 110 -0.542 4.224 3.746 841 2HD LYS 110 2HD LYS 110 0.010 4.692 2.135 842 1HE LYS 110 1HE LYS 110 2.385 4.142 2.928 843 2HE LYS 110 2HE LYS 110 1.642 3.371 4.331 844 1HZ LYS 110 1HZ LYS 110 0.304 2.076 2.706 845 2HZ LYS 110 2HZ LYS 110 1.134 2.739 1.491 846 3HZ LYS 110 3HZ LYS 110 1.929 1.747 2.555 847 H LEU 111 H LEU 111 -0.312 10.983 3.905 848 HA LEU 111 HA LEU 111 -0.717 12.752 2.615 849 1HB LEU 111 1HB LEU 111 0.992 13.443 1.115 850 2HB LEU 111 2HB LEU 111 1.682 12.796 2.568 851 HG LEU 111 HG LEU 111 1.479 10.943 0.181 852 1HD1 LEU 111 1HD1 LEU 111 3.480 13.184 0.475 853 2HD1 LEU 111 2HD1 LEU 111 3.649 11.817 -0.641 854 3HD1 LEU 111 3HD1 LEU 111 2.313 12.949 -0.843 855 1HD2 LEU 111 1HD2 LEU 111 2.506 10.311 2.518 856 2HD2 LEU 111 2HD2 LEU 111 3.503 9.997 1.091 857 3HD2 LEU 111 3HD2 LEU 111 3.796 11.439 2.099 858 H GLN 112 H GLN 112 -0.316 13.053 -0.377 859 HA GLN 112 HA GLN 112 -2.481 11.247 -1.276 860 1HB GLN 112 1HB GLN 112 -1.624 13.452 -3.010 861 2HB GLN 112 2HB GLN 112 -3.157 12.631 -2.947 862 1HG GLN 112 1HG GLN 112 -2.517 14.386 -0.572 863 2HG GLN 112 2HG GLN 112 -2.606 15.193 -2.123 864 2HE2 GLN 112 1HE2 GLN 112 -4.553 12.695 -0.279 865 1HE2 GLN 112 2HE2 GLN 112 -6.079 13.399 -0.761 866 H ASN 113 H ASN 113 0.689 12.569 -2.511 867 HA ASN 113 HA ASN 113 0.904 10.853 -4.527 868 1HB ASN 113 1HB ASN 113 3.178 11.977 -2.885 869 2HB ASN 113 2HB ASN 113 3.488 10.936 -4.258 870 2HD2 ASN 113 1HD2 ASN 113 3.237 11.696 -6.419 871 1HD2 ASN 113 2HD2 ASN 113 2.931 13.377 -6.735 872 H LEU 114 H LEU 114 1.372 9.432 -1.336 873 HA LEU 114 HA LEU 114 2.518 7.047 -2.691 874 1HB LEU 114 1HB LEU 114 3.171 7.942 -0.304 875 2HB LEU 114 2HB LEU 114 1.680 7.151 0.191 876 HG LEU 114 HG LEU 114 2.746 5.063 -1.159 877 1HD1 LEU 114 1HD1 LEU 114 5.230 6.610 -0.351 878 2HD1 LEU 114 2HD1 LEU 114 5.193 4.944 -0.919 879 3HD1 LEU 114 3HD1 LEU 114 4.730 6.242 -2.017 880 1HD2 LEU 114 1HD2 LEU 114 2.179 5.132 1.178 881 2HD2 LEU 114 2HD2 LEU 114 3.707 4.267 0.910 882 3HD2 LEU 114 3HD2 LEU 114 3.725 5.931 1.576 883 H GLN 115 H GLN 115 -0.425 8.300 -2.849 884 HA GLN 115 HA GLN 115 -1.792 5.790 -3.144 885 1HB GLN 115 1HB GLN 115 -3.715 6.494 -1.713 886 2HB GLN 115 2HB GLN 115 -2.257 6.041 -0.849 887 1HG GLN 115 1HG GLN 115 -1.718 8.376 -0.380 888 2HG GLN 115 2HG GLN 115 -3.069 8.922 -1.376 889 2HE2 GLN 115 1HE2 GLN 115 -5.014 9.196 -0.385 890 1HE2 GLN 115 2HE2 GLN 115 -5.421 8.657 1.245 891 H LEU 116 H LEU 116 -0.886 7.353 -5.134 892 HA LEU 116 HA LEU 116 -1.283 8.388 -6.960 893 1HB LEU 116 1HB LEU 116 -4.063 7.332 -6.559 894 2HB LEU 116 2HB LEU 116 -3.631 8.162 -8.025 895 HG LEU 116 HG LEU 116 -2.090 5.774 -7.053 896 1HD1 LEU 116 1HD1 LEU 116 -4.393 5.006 -7.566 897 2HD1 LEU 116 2HD1 LEU 116 -4.285 5.756 -9.172 898 3HD1 LEU 116 3HD1 LEU 116 -3.231 4.388 -8.732 899 1HD2 LEU 116 1HD2 LEU 116 -2.233 7.165 -9.754 900 2HD2 LEU 116 2HD2 LEU 116 -0.857 7.142 -8.644 901 3HD2 LEU 116 3HD2 LEU 116 -1.337 5.662 -9.427 902 H GLN 117 H GLN 117 -2.445 9.983 -8.273 903 HA GLN 117 HA GLN 117 -3.076 12.363 -6.753 904 1HB GLN 117 2HB GLN 117 -3.047 13.534 -8.731 905 2HB GLN 117 1HB GLN 117 -3.521 12.145 -9.674 906 1HG GLN 117 1HG GLN 117 -1.012 11.287 -9.084 907 2HG GLN 117 2HG GLN 117 -1.454 12.263 -10.466 908 2HE2 GLN 117 1HE2 GLN 117 -0.530 12.947 -6.895 909 1HE2 GLN 117 2HE2 GLN 117 0.357 14.355 -7.414 910 HA PRO 118 HA PRO 118 -7.426 11.136 -6.815 911 1HB PRO 118 1HB PRO 118 -8.581 13.463 -6.004 912 2HB PRO 118 2HB PRO 118 -7.633 12.440 -4.889 913 1HG PRO 118 2HG PRO 118 -6.502 14.548 -4.675 914 2HG PRO 118 1HG PRO 118 -6.708 14.894 -6.424 915 1HD PRO 118 1HD PRO 118 -4.551 14.035 -6.513 916 2HD PRO 118 2HD PRO 118 -4.805 12.971 -5.093 917 H GLY 119 H GLY 119 -9.423 11.990 -8.045 918 1HA GLY 119 1HA GLY 119 -10.348 13.370 -9.832 919 2HA GLY 119 2HA GLY 119 -8.713 13.637 -10.451 920 H ASN 120 H ASN 120 -11.255 11.240 -9.978 921 HA ASN 120 HA ASN 120 -10.724 10.022 -12.555 922 1HB ASN 120 1HB ASN 120 -9.442 8.536 -11.055 923 2HB ASN 120 2HB ASN 120 -10.818 8.412 -9.965 924 2HD2 ASN 120 1HD2 ASN 120 -11.039 6.150 -10.145 925 1HD2 ASN 120 2HD2 ASN 120 -11.581 5.359 -11.620 926 H ALA 121 H ALA 121 -12.820 8.381 -12.712 927 HA ALA 121 HA ALA 121 -15.113 9.361 -11.153 928 1HB ALA 121 2HB ALA 121 -15.094 9.520 -14.201 929 2HB ALA 121 3HB ALA 121 -16.465 9.871 -13.121 930 3HB ALA 121 1HB ALA 121 -15.029 10.904 -13.093 931 H LYS 122 H LYS 122 -14.217 7.367 -13.998 932 HA LYS 122 HA LYS 122 -14.238 5.234 -14.457 933 1HB LYS 122 1HB LYS 122 -13.507 4.877 -12.097 934 2HB LYS 122 2HB LYS 122 -15.164 4.546 -11.646 935 1HG LYS 122 1HG LYS 122 -14.103 2.988 -13.991 936 2HG LYS 122 2HG LYS 122 -13.324 2.676 -12.435 937 1HD LYS 122 1HD LYS 122 -15.480 2.179 -11.391 938 2HD LYS 122 2HD LYS 122 -16.315 2.439 -12.942 939 1HE LYS 122 1HE LYS 122 -15.280 0.554 -13.956 940 2HE LYS 122 2HE LYS 122 -14.039 0.461 -12.691 941 1HZ LYS 122 1HZ LYS 122 -16.911 -0.101 -12.277 942 2HZ LYS 122 2HZ LYS 122 -15.714 -1.256 -12.403 943 3HZ LYS 122 3HZ LYS 122 -15.748 -0.231 -11.150 944 H LEU 123 H LEU 123 -15.698 5.293 -15.982 945 HA LEU 123 HA LEU 123 -17.266 4.220 -17.178 946 1HB LEU 123 1HB LEU 123 -17.454 2.566 -15.234 947 2HB LEU 123 2HB LEU 123 -18.776 3.552 -14.627 948 HG LEU 123 HG LEU 123 -19.441 1.511 -15.793 949 1HD1 LEU 123 1HD1 LEU 123 -20.996 3.446 -15.615 950 2HD1 LEU 123 2HD1 LEU 123 -20.550 3.905 -17.265 951 3HD1 LEU 123 3HD1 LEU 123 -21.324 2.352 -16.960 952 1HD2 LEU 123 1HD2 LEU 123 -17.689 1.462 -17.520 953 2HD2 LEU 123 2HD2 LEU 123 -19.312 1.278 -18.193 954 3HD2 LEU 123 3HD2 LEU 123 -18.480 2.832 -18.340 No H/Q in entry = 954 Start of MODEL 17 1 H SER 1 H SER 1 -7.910 -19.499 0.035 2 HA SER 1 HA SER 1 -5.168 -20.412 0.248 3 1HB SER 1 1HB SER 1 -6.855 -21.946 1.679 4 2HB SER 1 2HB SER 1 -7.199 -22.644 0.103 5 HG SER 1 HG SER 1 -4.752 -22.768 -0.016 6 H SER 2 H SER 2 -4.866 -19.440 -1.806 7 HA SER 2 HA SER 2 -5.504 -21.199 -3.940 8 1HB SER 2 1HB SER 2 -7.558 -19.785 -4.020 9 2HB SER 2 2HB SER 2 -6.554 -18.336 -4.122 10 HG SER 2 HG SER 2 -7.495 -19.645 -6.145 11 H ALA 3 H ALA 3 -4.641 -19.212 -5.859 12 HA ALA 3 HA ALA 3 -1.818 -18.827 -5.281 13 1HB ALA 3 2HB ALA 3 -3.603 -17.606 -7.429 14 2HB ALA 3 3HB ALA 3 -1.831 -17.628 -7.407 15 3HB ALA 3 1HB ALA 3 -2.725 -19.152 -7.567 16 H SER 4 H SER 4 -0.995 -16.547 -5.610 17 HA SER 4 HA SER 4 -2.344 -14.608 -3.871 18 1HB SER 4 1HB SER 4 0.091 -13.742 -3.665 19 2HB SER 4 2HB SER 4 -0.394 -15.169 -2.774 20 HG SER 4 HG SER 4 0.574 -16.484 -4.270 21 H ASP 5 H ASP 5 -0.275 -12.736 -5.172 22 HA ASP 5 HA ASP 5 0.214 -11.615 -7.202 23 1HB ASP 5 2HB ASP 5 1.576 -13.618 -6.414 24 2HB ASP 5 1HB ASP 5 1.783 -13.076 -8.066 25 H GLY 6 H GLY 6 -2.629 -12.492 -7.604 26 1HA GLY 6 1HA GLY 6 -2.682 -12.173 -10.586 27 2HA GLY 6 2HA GLY 6 -3.550 -13.473 -9.793 28 H PHE 7 H PHE 7 -3.211 -9.974 -9.987 29 HA PHE 7 HA PHE 7 -5.991 -9.438 -9.038 30 1HB PHE 7 1HB PHE 7 -3.364 -8.686 -7.686 31 2HB PHE 7 2HB PHE 7 -4.752 -7.654 -7.532 32 HD1 PHE 7 HD1 PHE 7 -3.511 -11.088 -6.729 33 HD2 PHE 7 HD2 PHE 7 -6.484 -8.073 -5.956 34 HE1 PHE 7 HE1 PHE 7 -4.340 -12.399 -4.813 35 HE2 PHE 7 HE2 PHE 7 -7.212 -9.319 -3.961 36 HZ PHE 7 HZ PHE 7 -6.164 -11.472 -3.377 37 H LYS 8 H LYS 8 -6.475 -6.988 -9.352 38 HA LYS 8 HA LYS 8 -5.054 -6.034 -11.757 39 1HB LYS 8 1HB LYS 8 -6.482 -4.147 -11.805 40 2HB LYS 8 2HB LYS 8 -7.300 -5.664 -12.082 41 1HG LYS 8 1HG LYS 8 -7.428 -4.231 -9.387 42 2HG LYS 8 2HG LYS 8 -8.431 -3.764 -10.755 43 1HD LYS 8 1HD LYS 8 -9.056 -6.366 -10.815 44 2HD LYS 8 2HD LYS 8 -8.548 -6.285 -9.135 45 1HE LYS 8 2HE LYS 8 -10.125 -4.081 -9.192 46 2HE LYS 8 1HE LYS 8 -10.712 -5.693 -8.762 47 1HZ LYS 8 1HZ LYS 8 -10.801 -4.712 -11.552 48 2HZ LYS 8 2HZ LYS 8 -11.582 -6.008 -10.877 49 3HZ LYS 8 3HZ LYS 8 -12.031 -4.494 -10.478 50 H ALA 9 H ALA 9 -5.211 -5.486 -8.332 51 HA ALA 9 HA ALA 9 -3.892 -3.134 -7.941 52 1HB ALA 9 1HB ALA 9 -4.799 -4.604 -6.179 53 2HB ALA 9 3HB ALA 9 -3.148 -4.092 -5.821 54 3HB ALA 9 2HB ALA 9 -3.435 -5.732 -6.430 55 H ASN 10 H ASN 10 -2.479 -5.743 -9.650 56 HA ASN 10 HA ASN 10 0.251 -5.523 -9.005 57 1HB ASN 10 1HB ASN 10 -1.150 -7.057 -10.775 58 2HB ASN 10 2HB ASN 10 -0.493 -5.848 -11.890 59 2HD2 ASN 10 1HD2 ASN 10 0.127 -8.850 -10.490 60 1HD2 ASN 10 2HD2 ASN 10 1.864 -8.807 -10.354 61 H LEU 11 H LEU 11 -1.778 -3.496 -11.182 62 HA LEU 11 HA LEU 11 0.463 -1.800 -11.922 63 1HB LEU 11 2HB LEU 11 -1.987 -2.424 -12.986 64 2HB LEU 11 1HB LEU 11 -0.795 -1.316 -13.575 65 HG LEU 11 HG LEU 11 -3.020 -0.522 -13.685 66 1HD1 LEU 11 1HD1 LEU 11 -3.856 -1.547 -11.476 67 2HD1 LEU 11 2HD1 LEU 11 -3.346 0.028 -10.780 68 3HD1 LEU 11 3HD1 LEU 11 -4.522 -0.022 -12.069 69 1HD2 LEU 11 1HD2 LEU 11 -1.098 1.016 -13.518 70 2HD2 LEU 11 2HD2 LEU 11 -2.618 1.745 -12.982 71 3HD2 LEU 11 3HD2 LEU 11 -1.417 1.225 -11.792 72 H VAL 12 H VAL 12 -2.094 -1.689 -9.460 73 HA VAL 12 HA VAL 12 -1.823 0.988 -8.653 74 HB VAL 12 HB VAL 12 -2.632 -1.515 -7.094 75 1HG1 VAL 12 1HG1 VAL 12 -2.621 1.368 -6.219 76 2HG1 VAL 12 2HG1 VAL 12 -3.682 0.124 -5.482 77 3HG1 VAL 12 3HG1 VAL 12 -1.938 -0.035 -5.376 78 1HG2 VAL 12 1HG2 VAL 12 -4.241 0.768 -8.269 79 2HG2 VAL 12 2HG2 VAL 12 -4.203 -0.908 -8.876 80 3HG2 VAL 12 3HG2 VAL 12 -4.904 -0.557 -7.295 81 H PHE 13 H PHE 13 -0.352 -1.923 -7.122 82 HA PHE 13 HA PHE 13 1.134 -0.311 -5.286 83 1HB PHE 13 1HB PHE 13 1.472 -3.182 -6.170 84 2HB PHE 13 2HB PHE 13 2.303 -2.461 -4.793 85 HD1 PHE 13 HD1 PHE 13 0.340 -1.052 -3.236 86 HD2 PHE 13 HD2 PHE 13 -0.159 -4.699 -5.450 87 HE1 PHE 13 HE1 PHE 13 -1.410 -1.777 -1.642 88 HE2 PHE 13 HE2 PHE 13 -1.767 -5.504 -3.743 89 HZ PHE 13 HZ PHE 13 -2.479 -3.968 -1.892 90 H LYS 14 H LYS 14 1.740 -1.138 -8.604 91 HA LYS 14 HA LYS 14 4.591 -0.669 -8.479 92 1HB LYS 14 1HB LYS 14 3.187 -1.956 -10.161 93 2HB LYS 14 2HB LYS 14 2.880 -0.443 -10.958 94 1HG LYS 14 1HG LYS 14 5.244 0.032 -11.291 95 2HG LYS 14 2HG LYS 14 5.736 -1.279 -10.260 96 1HD LYS 14 1HD LYS 14 4.056 -1.889 -12.711 97 2HD LYS 14 2HD LYS 14 5.782 -1.593 -12.885 98 1HE LYS 14 1HE LYS 14 4.663 -3.685 -10.972 99 2HE LYS 14 2HE LYS 14 5.113 -4.017 -12.651 100 1HZ LYS 14 1HZ LYS 14 7.336 -3.253 -12.164 101 2HZ LYS 14 2HZ LYS 14 6.995 -3.051 -10.567 102 3HZ LYS 14 3HZ LYS 14 6.935 -4.555 -11.262 103 H GLU 15 H GLU 15 1.751 1.306 -9.124 104 HA GLU 15 HA GLU 15 3.287 3.648 -9.904 105 1HB GLU 15 2HB GLU 15 1.488 5.096 -9.226 106 2HB GLU 15 1HB GLU 15 0.758 3.821 -8.248 107 1HG GLU 15 2HG GLU 15 -0.434 4.191 -10.289 108 2HG GLU 15 1HG GLU 15 0.136 2.574 -10.173 109 H ILE 16 H ILE 16 2.683 2.282 -6.694 110 HA ILE 16 HA ILE 16 3.807 4.434 -5.167 111 HB ILE 16 HB ILE 16 3.578 1.476 -4.539 112 1HG1 ILE 16 1HG1 ILE 16 1.523 3.593 -3.759 113 2HG1 ILE 16 2HG1 ILE 16 1.263 2.574 -5.152 114 1HG2 ILE 16 1HG2 ILE 16 5.055 2.683 -3.057 115 2HG2 ILE 16 2HG2 ILE 16 3.793 3.901 -2.761 116 3HG2 ILE 16 3HG2 ILE 16 3.581 2.216 -2.203 117 1HD1 ILE 16 1HD1 ILE 16 1.932 0.660 -3.271 118 2HD1 ILE 16 2HD1 ILE 16 1.046 1.869 -2.317 119 3HD1 ILE 16 3HD1 ILE 16 0.321 1.129 -3.769 120 H GLU 17 H GLU 17 5.004 1.264 -6.338 121 HA GLU 17 HA GLU 17 7.726 1.426 -5.713 122 1HB GLU 17 1HB GLU 17 6.497 -0.553 -6.734 123 2HB GLU 17 2HB GLU 17 6.439 0.337 -8.220 124 1HG GLU 17 1HG GLU 17 9.100 0.386 -7.928 125 2HG GLU 17 2HG GLU 17 8.777 -1.073 -7.014 126 H LYS 18 H LYS 18 6.179 2.542 -8.746 127 HA LYS 18 HA LYS 18 8.410 3.381 -9.976 128 1HB LYS 18 1HB LYS 18 5.527 4.251 -10.109 129 2HB LYS 18 2HB LYS 18 6.658 5.269 -10.967 130 1HG LYS 18 1HG LYS 18 6.907 2.309 -11.436 131 2HG LYS 18 2HG LYS 18 5.480 3.122 -12.058 132 1HD LYS 18 1HD LYS 18 7.170 3.017 -13.748 133 2HD LYS 18 2HD LYS 18 6.828 4.692 -13.362 134 1HE LYS 18 1HE LYS 18 9.205 3.208 -12.148 135 2HE LYS 18 2HE LYS 18 9.257 3.842 -13.788 136 1HZ LYS 18 1HZ LYS 18 8.711 6.052 -12.869 137 2HZ LYS 18 2HZ LYS 18 9.057 5.459 -11.340 138 3HZ LYS 18 3HZ LYS 18 10.179 5.449 -12.545 139 H LYS 19 H LYS 19 6.438 5.312 -7.694 140 HA LYS 19 HA LYS 19 7.966 7.741 -8.007 141 1HB LYS 19 1HB LYS 19 5.595 7.440 -7.144 142 2HB LYS 19 2HB LYS 19 6.271 6.885 -5.605 143 1HG LYS 19 1HG LYS 19 6.752 9.605 -6.908 144 2HG LYS 19 2HG LYS 19 5.517 9.275 -5.713 145 1HD LYS 19 1HD LYS 19 6.922 9.763 -4.063 146 2HD LYS 19 2HD LYS 19 7.937 8.409 -4.510 147 1HE LYS 19 1HE LYS 19 9.369 10.292 -4.549 148 2HE LYS 19 2HE LYS 19 9.037 9.937 -6.248 149 1HZ LYS 19 1HZ LYS 19 7.358 11.748 -6.164 150 2HZ LYS 19 2HZ LYS 19 7.846 12.102 -4.605 151 3HZ LYS 19 3HZ LYS 19 8.854 12.283 -5.848 152 H LEU 20 H LEU 20 8.113 4.919 -5.734 153 HA LEU 20 HA LEU 20 10.138 5.926 -4.077 154 1HB LEU 20 1HB LEU 20 8.684 3.393 -4.562 155 2HB LEU 20 2HB LEU 20 10.352 3.140 -4.187 156 HG LEU 20 HG LEU 20 9.444 5.119 -2.294 157 1HD1 LEU 20 1HD1 LEU 20 7.138 4.486 -2.866 158 2HD1 LEU 20 2HD1 LEU 20 7.504 2.785 -2.503 159 3HD1 LEU 20 3HD1 LEU 20 7.566 4.012 -1.210 160 1HD2 LEU 20 1HD2 LEU 20 11.143 3.415 -1.926 161 2HD2 LEU 20 2HD2 LEU 20 9.925 3.406 -0.653 162 3HD2 LEU 20 3HD2 LEU 20 9.893 2.137 -1.903 163 H GLU 21 H GLU 21 10.316 4.120 -7.171 164 HA GLU 21 HA GLU 21 13.139 3.966 -7.180 165 1HB GLU 21 1HB GLU 21 11.298 4.228 -9.554 166 2HB GLU 21 2HB GLU 21 12.977 3.671 -9.619 167 1HG GLU 21 1HG GLU 21 10.761 2.227 -8.072 168 2HG GLU 21 2HG GLU 21 11.158 1.901 -9.759 169 H GLU 22 H GLU 22 11.047 6.650 -8.535 170 HA GLU 22 HA GLU 22 13.253 8.189 -9.463 171 1HB GLU 22 1HB GLU 22 10.379 8.986 -8.819 172 2HB GLU 22 2HB GLU 22 11.548 9.939 -9.729 173 1HG GLU 22 1HG GLU 22 11.771 7.869 -11.263 174 2HG GLU 22 2HG GLU 22 10.314 7.306 -10.528 175 H GLU 23 H GLU 23 11.346 8.489 -6.423 176 HA GLU 23 HA GLU 23 13.594 9.648 -5.116 177 1HB GLU 23 1HB GLU 23 12.523 11.683 -6.208 178 2HB GLU 23 2HB GLU 23 11.096 11.405 -5.202 179 1HG GLU 23 1HG GLU 23 12.565 11.412 -3.169 180 2HG GLU 23 2HG GLU 23 13.945 11.636 -4.242 181 H GLY 24 H GLY 24 12.842 7.274 -4.507 182 1HA GLY 24 1HA GLY 24 10.885 7.158 -2.392 183 2HA GLY 24 2HA GLY 24 12.130 5.953 -2.772 184 H GLU 25 H GLU 25 14.227 8.202 -2.625 185 HA GLU 25 HA GLU 25 15.257 7.520 -0.188 186 1HB GLU 25 1HB GLU 25 16.859 9.359 -0.521 187 2HB GLU 25 2HB GLU 25 16.494 8.596 -2.076 188 1HG GLU 25 1HG GLU 25 14.794 10.456 -2.457 189 2HG GLU 25 2HG GLU 25 15.399 11.226 -0.999 190 H GLN 26 H GLN 26 13.110 10.241 -0.870 191 HA GLN 26 HA GLN 26 13.236 11.404 1.783 192 1HB GLN 26 1HB GLN 26 12.575 12.317 -0.674 193 2HB GLN 26 2HB GLN 26 10.956 11.881 -0.185 194 1HG GLN 26 1HG GLN 26 12.829 13.751 1.351 195 2HG GLN 26 2HG GLN 26 11.686 14.253 0.122 196 2HE2 GLN 26 1HE2 GLN 26 9.661 14.816 0.773 197 1HE2 GLN 26 2HE2 GLN 26 9.023 14.542 2.386 198 H PHE 27 H PHE 27 11.077 9.122 0.021 199 HA PHE 27 HA PHE 27 9.050 9.184 2.062 200 1HB PHE 27 1HB PHE 27 9.460 7.989 -0.618 201 2HB PHE 27 2HB PHE 27 8.645 6.922 0.493 202 HD1 PHE 27 HD1 PHE 27 6.706 8.060 1.978 203 HD2 PHE 27 HD2 PHE 27 8.154 9.578 -1.793 204 HE1 PHE 27 HE1 PHE 27 4.661 9.471 1.753 205 HE2 PHE 27 HE2 PHE 27 6.075 10.921 -2.042 206 HZ PHE 27 HZ PHE 27 4.356 10.897 -0.249 207 H VAL 28 H VAL 28 12.062 7.351 1.597 208 HA VAL 28 HA VAL 28 11.547 5.284 3.440 209 HB VAL 28 HB VAL 28 14.023 6.875 2.716 210 1HG1 VAL 28 1HG1 VAL 28 13.764 4.710 4.760 211 2HG1 VAL 28 2HG1 VAL 28 15.179 4.694 3.693 212 3HG1 VAL 28 3HG1 VAL 28 14.844 6.107 4.716 213 1HG2 VAL 28 1HG2 VAL 28 12.914 5.324 1.045 214 2HG2 VAL 28 2HG2 VAL 28 14.622 5.002 1.408 215 3HG2 VAL 28 3HG2 VAL 28 13.342 3.985 2.102 216 H LYS 29 H LYS 29 12.291 8.769 4.032 217 HA LYS 29 HA LYS 29 12.443 8.256 6.902 218 1HB LYS 29 1HB LYS 29 12.420 10.830 5.293 219 2HB LYS 29 2HB LYS 29 12.564 10.745 7.053 220 1HG LYS 29 1HG LYS 29 14.501 9.017 6.581 221 2HG LYS 29 2HG LYS 29 14.466 9.658 4.938 222 1HD LYS 29 2HD LYS 29 14.901 11.945 5.891 223 2HD LYS 29 1HD LYS 29 16.188 10.745 6.153 224 1HE LYS 29 1HE LYS 29 14.122 11.681 8.194 225 2HE LYS 29 2HE LYS 29 15.213 10.312 8.454 226 1HZ LYS 29 1HZ LYS 29 16.157 13.042 7.843 227 2HZ LYS 29 2HZ LYS 29 16.005 12.428 9.366 228 3HZ LYS 29 3HZ LYS 29 17.069 11.746 8.289 229 H LYS 30 H LYS 30 9.744 8.210 4.896 230 HA LYS 30 HA LYS 30 8.015 9.367 6.935 231 1HB LYS 30 2HB LYS 30 6.138 8.863 5.445 232 2HB LYS 30 1HB LYS 30 7.221 8.094 4.303 233 1HG LYS 30 1HG LYS 30 8.274 10.745 4.846 234 2HG LYS 30 2HG LYS 30 7.707 10.044 3.352 235 1HD LYS 30 2HD LYS 30 5.312 10.655 4.156 236 2HD LYS 30 1HD LYS 30 6.398 11.867 3.476 237 1HE LYS 30 1HE LYS 30 7.107 12.480 5.837 238 2HE LYS 30 2HE LYS 30 5.507 12.964 5.306 239 1HZ LYS 30 1HZ LYS 30 4.627 10.987 6.493 240 2HZ LYS 30 2HZ LYS 30 6.121 10.772 7.184 241 3HZ LYS 30 3HZ LYS 30 5.330 12.138 7.460 242 H ILE 31 H ILE 31 8.110 6.093 5.248 243 HA ILE 31 HA ILE 31 6.647 4.891 7.508 244 HB ILE 31 HB ILE 31 7.750 3.863 4.886 245 1HG1 ILE 31 2HG1 ILE 31 5.131 4.859 5.877 246 2HG1 ILE 31 1HG1 ILE 31 5.009 3.291 5.095 247 1HG2 ILE 31 1HG2 ILE 31 6.489 2.353 7.193 248 2HG2 ILE 31 2HG2 ILE 31 6.592 1.718 5.548 249 3HG2 ILE 31 3HG2 ILE 31 8.075 2.063 6.422 250 1HD1 ILE 31 1HD1 ILE 31 6.300 5.739 3.836 251 2HD1 ILE 31 2HD1 ILE 31 6.051 4.146 3.072 252 3HD1 ILE 31 3HD1 ILE 31 4.654 5.144 3.527 253 H GLY 32 H GLY 32 9.891 4.348 5.827 254 1HA GLY 32 1HA GLY 32 11.914 3.745 6.598 255 2HA GLY 32 2HA GLY 32 11.438 4.393 8.159 256 H GLY 33 H GLY 33 10.605 1.395 6.115 257 1HA GLY 33 1HA GLY 33 11.478 -0.373 8.169 258 2HA GLY 33 2HA GLY 33 9.713 -0.214 8.177 259 H ILE 34 H ILE 34 10.069 -2.601 7.519 260 HA ILE 34 HA ILE 34 9.510 -2.542 4.609 261 HB ILE 34 HB ILE 34 10.542 -5.021 6.073 262 1HG1 ILE 34 2HG1 ILE 34 11.911 -3.098 4.200 263 2HG1 ILE 34 1HG1 ILE 34 12.275 -4.813 4.059 264 1HG2 ILE 34 1HG2 ILE 34 8.800 -5.415 4.331 265 2HG2 ILE 34 2HG2 ILE 34 9.764 -4.504 3.166 266 3HG2 ILE 34 3HG2 ILE 34 10.363 -6.050 3.831 267 1HD1 ILE 34 1HD1 ILE 34 12.667 -3.161 6.594 268 2HD1 ILE 34 2HD1 ILE 34 13.002 -4.898 6.410 269 3HD1 ILE 34 3HD1 ILE 34 13.924 -3.703 5.480 270 H PHE 35 H PHE 35 7.371 -2.942 4.312 271 HA PHE 35 HA PHE 35 5.969 -4.435 6.456 272 1HB PHE 35 2HB PHE 35 5.395 -2.098 6.706 273 2HB PHE 35 1HB PHE 35 4.024 -3.126 6.339 274 HD1 PHE 35 HD1 PHE 35 6.436 -0.638 4.846 275 HD2 PHE 35 HD2 PHE 35 2.629 -2.632 4.522 276 HE1 PHE 35 HE1 PHE 35 5.681 1.014 3.115 277 HE2 PHE 35 HE2 PHE 35 1.916 -0.998 2.829 278 HZ PHE 35 HZ PHE 35 3.449 0.812 2.086 279 H ALA 36 H ALA 36 3.884 -5.269 5.543 280 HA ALA 36 HA ALA 36 4.072 -6.098 2.691 281 1HB ALA 36 2HB ALA 36 2.959 -8.264 3.712 282 2HB ALA 36 1HB ALA 36 3.717 -7.727 5.217 283 3HB ALA 36 3HB ALA 36 4.728 -8.050 3.791 284 H PHE 37 H PHE 37 2.264 -5.679 1.580 285 HA PHE 37 HA PHE 37 -0.147 -4.619 2.869 286 1HB PHE 37 1HB PHE 37 0.648 -5.245 -0.013 287 2HB PHE 37 2HB PHE 37 -0.935 -4.650 0.430 288 HD1 PHE 37 HD1 PHE 37 -0.637 -2.400 2.175 289 HD2 PHE 37 HD2 PHE 37 1.874 -3.598 -1.110 290 HE1 PHE 37 HE1 PHE 37 -0.214 -0.036 1.629 291 HE2 PHE 37 HE2 PHE 37 2.352 -1.252 -1.611 292 HZ PHE 37 HZ PHE 37 1.290 0.565 -0.252 293 H LYS 38 H LYS 38 -1.103 -6.490 4.086 294 HA LYS 38 HA LYS 38 -1.431 -8.982 2.583 295 1HB LYS 38 1HB LYS 38 -1.692 -8.253 5.353 296 2HB LYS 38 2HB LYS 38 -3.213 -8.952 4.849 297 1HG LYS 38 1HG LYS 38 -1.873 -10.841 3.781 298 2HG LYS 38 2HG LYS 38 -0.432 -10.153 4.536 299 1HD LYS 38 1HD LYS 38 -1.316 -10.638 6.776 300 2HD LYS 38 2HD LYS 38 -2.892 -11.067 6.086 301 1HE LYS 38 1HE LYS 38 -1.788 -13.145 6.541 302 2HE LYS 38 2HE LYS 38 -1.789 -12.914 4.786 303 1HZ LYS 38 1HZ LYS 38 0.540 -12.036 5.107 304 2HZ LYS 38 2HZ LYS 38 0.471 -12.652 6.655 305 3HZ LYS 38 3HZ LYS 38 0.350 -13.624 5.331 306 H VAL 39 H VAL 39 -2.676 -8.865 0.811 307 HA VAL 39 HA VAL 39 -5.211 -7.288 0.992 308 HB VAL 39 HB VAL 39 -3.628 -8.551 -1.379 309 1HG1 VAL 39 1HG1 VAL 39 -5.980 -6.640 -1.396 310 2HG1 VAL 39 2HG1 VAL 39 -5.077 -7.140 -2.832 311 3HG1 VAL 39 3HG1 VAL 39 -5.991 -8.342 -1.926 312 1HG2 VAL 39 1HG2 VAL 39 -2.504 -6.471 -0.259 313 2HG2 VAL 39 2HG2 VAL 39 -2.663 -6.603 -2.005 314 3HG2 VAL 39 3HG2 VAL 39 -3.787 -5.584 -1.113 315 H LYS 40 H LYS 40 -7.003 -8.688 1.368 316 HA LYS 40 HA LYS 40 -7.104 -11.253 -0.075 317 1HB LYS 40 1HB LYS 40 -8.962 -11.667 1.761 318 2HB LYS 40 2HB LYS 40 -7.259 -12.003 2.007 319 1HG LYS 40 1HG LYS 40 -6.943 -10.027 3.350 320 2HG LYS 40 2HG LYS 40 -8.574 -9.463 3.010 321 1HD LYS 40 1HD LYS 40 -9.553 -11.047 4.416 322 2HD LYS 40 2HD LYS 40 -8.212 -12.196 4.250 323 1HE LYS 40 1HE LYS 40 -6.767 -10.921 5.643 324 2HE LYS 40 2HE LYS 40 -7.844 -9.512 5.626 325 1HZ LYS 40 1HZ LYS 40 -8.592 -12.098 6.825 326 2HZ LYS 40 2HZ LYS 40 -7.956 -10.838 7.672 327 3HZ LYS 40 3HZ LYS 40 -9.412 -10.666 6.916 328 H ASP 41 H ASP 41 -9.559 -11.730 -0.367 329 HA ASP 41 HA ASP 41 -11.603 -11.157 -1.362 330 1HB ASP 41 1HB ASP 41 -11.649 -10.414 1.056 331 2HB ASP 41 2HB ASP 41 -11.342 -8.776 0.511 332 H GLY 42 H GLY 42 -9.871 -10.639 -3.151 333 1HA GLY 42 1HA GLY 42 -10.814 -8.150 -4.499 334 2HA GLY 42 2HA GLY 42 -9.203 -8.851 -4.758 335 HA PRO 43 HA PRO 43 -12.006 -10.487 -8.074 336 1HB PRO 43 2HB PRO 43 -10.866 -10.068 -9.960 337 2HB PRO 43 1HB PRO 43 -9.552 -11.184 -9.510 338 1HG PRO 43 2HG PRO 43 -9.495 -8.307 -9.463 339 2HG PRO 43 1HG PRO 43 -8.231 -9.412 -8.905 340 1HD PRO 43 1HD PRO 43 -8.681 -8.757 -6.792 341 2HD PRO 43 2HD PRO 43 -10.131 -7.858 -7.315 342 H GLY 44 H GLY 44 -12.846 -12.381 -7.481 343 1HA GLY 44 1HA GLY 44 -13.057 -14.650 -7.272 344 2HA GLY 44 2HA GLY 44 -11.347 -14.861 -7.634 345 H GLY 45 H GLY 45 -11.053 -12.708 -5.107 346 1HA GLY 45 1HA GLY 45 -11.346 -12.786 -2.833 347 2HA GLY 45 2HA GLY 45 -12.116 -14.363 -2.955 348 H LYS 46 H LYS 46 -9.178 -13.996 -4.630 349 HA LYS 46 HA LYS 46 -7.584 -15.795 -3.026 350 1HB LYS 46 1HB LYS 46 -7.072 -13.799 -5.247 351 2HB LYS 46 2HB LYS 46 -5.766 -14.783 -4.590 352 1HG LYS 46 2HG LYS 46 -7.617 -16.743 -5.094 353 2HG LYS 46 1HG LYS 46 -6.241 -16.320 -6.103 354 1HD LYS 46 1HD LYS 46 -9.115 -15.390 -6.454 355 2HD LYS 46 2HD LYS 46 -7.744 -14.789 -7.424 356 1HE LYS 46 1HE LYS 46 -7.187 -17.114 -8.080 357 2HE LYS 46 2HE LYS 46 -8.546 -17.720 -7.114 358 1HZ LYS 46 1HZ LYS 46 -8.800 -15.944 -9.450 359 2HZ LYS 46 2HZ LYS 46 -9.017 -17.544 -9.474 360 3HZ LYS 46 3HZ LYS 46 -10.057 -16.652 -8.581 361 H GLU 47 H GLU 47 -5.190 -14.672 -2.731 362 HA GLU 47 HA GLU 47 -5.425 -12.376 -0.969 363 1HB GLU 47 1HB GLU 47 -6.242 -14.143 0.438 364 2HB GLU 47 2HB GLU 47 -4.859 -15.174 0.024 365 1HG GLU 47 1HG GLU 47 -3.346 -13.631 1.147 366 2HG GLU 47 2HG GLU 47 -4.685 -12.511 1.457 367 H ALA 48 H ALA 48 -3.697 -11.224 -1.388 368 HA ALA 48 HA ALA 48 -1.171 -12.432 -2.508 369 1HB ALA 48 1HB ALA 48 -2.589 -9.874 -3.302 370 2HB ALA 48 3HB ALA 48 -2.339 -11.342 -4.285 371 3HB ALA 48 2HB ALA 48 -0.961 -10.359 -3.825 372 H THR 49 H THR 49 0.667 -10.792 -2.268 373 HA THR 49 HA THR 49 0.246 -8.572 -0.508 374 HB THR 49 HB THR 49 2.129 -10.894 0.166 375 HG1 THR 49 HG1 THR 49 -0.051 -10.542 1.094 376 1HG2 THR 49 1HG2 THR 49 2.403 -8.094 1.325 377 2HG2 THR 49 2HG2 THR 49 3.234 -9.570 1.904 378 3HG2 THR 49 3HG2 THR 49 3.586 -8.944 0.308 379 H TRP 50 H TRP 50 1.725 -6.947 -0.850 380 HA TRP 50 HA TRP 50 3.880 -7.343 -2.881 381 1HB TRP 50 1HB TRP 50 1.762 -5.230 -2.546 382 2HB TRP 50 2HB TRP 50 3.406 -4.628 -2.733 383 HD1 TRP 50 HD1 TRP 50 4.188 -4.304 -5.190 384 HE1 TRP 50 HE1 TRP 50 3.285 -4.967 -7.494 385 HE3 TRP 50 HE3 TRP 50 0.403 -7.377 -3.673 386 HZ2 TRP 50 HZ2 TRP 50 1.609 -7.099 -8.460 387 HZ3 TRP 50 HZ3 TRP 50 -0.865 -8.727 -5.336 388 HH2 TRP 50 HH2 TRP 50 -0.310 -8.582 -7.739 389 H VAL 51 H VAL 51 5.823 -7.271 -1.654 390 HA VAL 51 HA VAL 51 5.800 -6.269 1.109 391 HB VAL 51 HB VAL 51 8.117 -7.174 -0.630 392 1HG1 VAL 51 1HG1 VAL 51 7.850 -6.986 2.397 393 2HG1 VAL 51 2HG1 VAL 51 9.262 -7.617 1.528 394 3HG1 VAL 51 3HG1 VAL 51 8.818 -5.920 1.359 395 1HG2 VAL 51 1HG2 VAL 51 6.522 -8.978 1.212 396 2HG2 VAL 51 2HG2 VAL 51 6.607 -9.082 -0.565 397 3HG2 VAL 51 3HG2 VAL 51 8.040 -9.382 0.387 398 H VAL 52 H VAL 52 6.354 -4.057 1.577 399 HA VAL 52 HA VAL 52 7.580 -2.501 -0.670 400 HB VAL 52 HB VAL 52 5.769 -1.535 1.545 401 1HG1 VAL 52 1HG1 VAL 52 7.683 0.054 0.701 402 2HG1 VAL 52 2HG1 VAL 52 6.776 0.161 -0.784 403 3HG1 VAL 52 3HG1 VAL 52 6.024 0.669 0.734 404 1HG2 VAL 52 1HG2 VAL 52 4.558 -2.651 -0.397 405 2HG2 VAL 52 2HG2 VAL 52 4.177 -0.931 -0.130 406 3HG2 VAL 52 3HG2 VAL 52 5.243 -1.436 -1.455 407 H ASP 53 H ASP 53 9.714 -2.371 -0.244 408 HA ASP 53 HA ASP 53 10.678 -2.216 2.539 409 1HB ASP 53 1HB ASP 53 11.870 -3.383 0.479 410 2HB ASP 53 2HB ASP 53 12.382 -1.750 0.083 411 H VAL 54 H VAL 54 10.926 -0.215 3.453 412 HA VAL 54 HA VAL 54 11.189 2.140 1.677 413 HB VAL 54 HB VAL 54 9.739 2.818 4.128 414 1HG1 VAL 54 1HG1 VAL 54 10.053 4.195 2.065 415 2HG1 VAL 54 2HG1 VAL 54 8.835 3.155 1.289 416 3HG1 VAL 54 3HG1 VAL 54 8.409 4.133 2.704 417 1HG2 VAL 54 1HG2 VAL 54 8.319 0.725 2.569 418 2HG2 VAL 54 2HG2 VAL 54 8.690 0.818 4.301 419 3HG2 VAL 54 3HG2 VAL 54 7.546 1.964 3.559 420 H LYS 55 H LYS 55 13.110 0.395 3.138 421 HA LYS 55 HA LYS 55 14.343 2.704 4.548 422 1HB LYS 55 1HB LYS 55 13.160 1.235 6.172 423 2HB LYS 55 2HB LYS 55 14.244 -0.082 5.766 424 1HG LYS 55 1HG LYS 55 15.490 2.576 6.475 425 2HG LYS 55 2HG LYS 55 14.647 1.754 7.776 426 1HD LYS 55 1HD LYS 55 16.073 -0.020 7.855 427 2HD LYS 55 2HD LYS 55 16.536 0.068 6.155 428 1HE LYS 55 1HE LYS 55 17.303 2.218 8.152 429 2HE LYS 55 2HE LYS 55 18.292 0.765 7.940 430 1HZ LYS 55 1HZ LYS 55 17.626 2.610 5.709 431 2HZ LYS 55 2HZ LYS 55 19.034 2.667 6.551 432 3HZ LYS 55 3HZ LYS 55 18.648 1.372 5.649 433 H ASN 56 H ASN 56 14.721 -0.217 2.697 434 HA ASN 56 HA ASN 56 17.647 -0.235 2.944 435 1HB ASN 56 1HB ASN 56 15.549 -1.797 1.383 436 2HB ASN 56 2HB ASN 56 17.179 -1.822 0.885 437 2HD2 ASN 56 1HD2 ASN 56 15.048 -2.753 3.455 438 1HD2 ASN 56 2HD2 ASN 56 16.183 -3.755 4.364 439 H GLY 57 H GLY 57 18.729 1.489 1.940 440 1HA GLY 57 1HA GLY 57 19.553 2.738 0.178 441 2HA GLY 57 2HA GLY 57 18.630 1.730 -0.940 442 H LYS 58 H LYS 58 17.037 2.844 -2.052 443 HA LYS 58 HA LYS 58 15.963 5.360 -0.898 444 1HB LYS 58 2HB LYS 58 15.156 5.947 -2.935 445 2HB LYS 58 1HB LYS 58 14.859 4.295 -3.435 446 1HG LYS 58 1HG LYS 58 17.561 5.635 -3.391 447 2HG LYS 58 2HG LYS 58 17.239 3.953 -3.919 448 1HD LYS 58 1HD LYS 58 15.477 5.019 -5.545 449 2HD LYS 58 2HD LYS 58 16.264 6.540 -5.138 450 1HE LYS 58 1HE LYS 58 17.327 5.942 -7.093 451 2HE LYS 58 2HE LYS 58 18.484 5.377 -5.884 452 1HZ LYS 58 1HZ LYS 58 16.435 3.631 -7.162 453 2HZ LYS 58 2HZ LYS 58 17.907 3.825 -7.774 454 3HZ LYS 58 3HZ LYS 58 17.712 3.136 -6.290 455 H GLY 59 H GLY 59 15.270 2.076 -0.494 456 1HA GLY 59 1HA GLY 59 13.337 1.043 0.158 457 2HA GLY 59 2HA GLY 59 12.417 2.521 -0.128 458 H SER 60 H SER 60 11.778 -0.031 -1.300 459 HA SER 60 HA SER 60 11.157 0.654 -3.908 460 1HB SER 60 1HB SER 60 13.281 -1.539 -3.674 461 2HB SER 60 2HB SER 60 12.251 -1.354 -5.084 462 HG SER 60 HG SER 60 13.287 0.525 -5.648 463 H VAL 61 H VAL 61 9.723 -1.042 -4.767 464 HA VAL 61 HA VAL 61 8.478 -2.632 -2.623 465 HB VAL 61 HB VAL 61 7.458 -1.995 -5.410 466 1HG1 VAL 61 1HG1 VAL 61 6.015 -3.017 -2.932 467 2HG1 VAL 61 2HG1 VAL 61 5.239 -2.526 -4.449 468 3HG1 VAL 61 3HG1 VAL 61 6.327 -3.919 -4.430 469 1HG2 VAL 61 1HG2 VAL 61 7.707 0.131 -4.114 470 2HG2 VAL 61 2HG2 VAL 61 6.006 -0.276 -4.360 471 3HG2 VAL 61 3HG2 VAL 61 6.796 -0.581 -2.798 472 H LEU 62 H LEU 62 8.203 -4.831 -2.933 473 HA LEU 62 HA LEU 62 10.032 -6.127 -4.908 474 1HB LEU 62 1HB LEU 62 9.618 -6.787 -1.991 475 2HB LEU 62 2HB LEU 62 10.710 -7.596 -3.082 476 HG LEU 62 HG LEU 62 11.172 -4.640 -2.651 477 1HD1 LEU 62 1HD1 LEU 62 11.611 -6.747 -0.523 478 2HD1 LEU 62 2HD1 LEU 62 12.441 -5.172 -0.571 479 3HD1 LEU 62 3HD1 LEU 62 10.670 -5.237 -0.420 480 1HD2 LEU 62 1HD2 LEU 62 13.000 -7.067 -2.808 481 2HD2 LEU 62 2HD2 LEU 62 12.661 -5.881 -4.093 482 3HD2 LEU 62 3HD2 LEU 62 13.526 -5.381 -2.646 483 HA PRO 63 HA PRO 63 5.619 -7.542 -5.064 484 1HB PRO 63 1HB PRO 63 5.431 -8.014 -7.754 485 2HB PRO 63 2HB PRO 63 5.252 -6.393 -7.019 486 1HG PRO 63 1HG PRO 63 7.684 -7.572 -8.306 487 2HG PRO 63 2HG PRO 63 6.998 -5.938 -8.542 488 1HD PRO 63 1HD PRO 63 9.097 -6.439 -6.865 489 2HD PRO 63 2HD PRO 63 7.874 -5.183 -6.493 490 H ASN 64 H ASN 64 4.843 -9.574 -5.129 491 HA ASN 64 HA ASN 64 5.003 -11.649 -4.352 492 1HB ASN 64 2HB ASN 64 4.933 -13.237 -6.019 493 2HB ASN 64 1HB ASN 64 6.142 -12.432 -7.001 494 2HD2 ASN 64 1HD2 ASN 64 5.202 -11.875 -8.902 495 1HD2 ASN 64 2HD2 ASN 64 3.716 -10.952 -8.970 496 H SER 65 H SER 65 7.066 -10.356 -3.245 497 HA SER 65 HA SER 65 9.558 -11.806 -3.747 498 1HB SER 65 1HB SER 65 9.590 -9.407 -3.401 499 2HB SER 65 2HB SER 65 8.879 -9.585 -1.780 500 HG SER 65 HG SER 65 11.295 -10.856 -2.575 501 H ASP 66 H ASP 66 10.558 -13.060 -2.348 502 HA ASP 66 HA ASP 66 8.989 -14.625 -0.385 503 1HB ASP 66 1HB ASP 66 10.562 -15.783 -1.915 504 2HB ASP 66 2HB ASP 66 11.890 -14.822 -1.251 505 H LYS 67 H LYS 67 11.013 -11.770 -0.429 506 HA LYS 67 HA LYS 67 12.230 -12.048 2.141 507 1HB LYS 67 1HB LYS 67 12.707 -10.268 0.334 508 2HB LYS 67 2HB LYS 67 11.231 -9.460 0.902 509 1HG LYS 67 1HG LYS 67 12.289 -9.411 3.222 510 2HG LYS 67 2HG LYS 67 13.769 -10.040 2.495 511 1HD LYS 67 1HD LYS 67 13.910 -8.039 1.040 512 2HD LYS 67 2HD LYS 67 12.383 -7.421 1.729 513 1HE LYS 67 1HE LYS 67 13.372 -7.297 3.959 514 2HE LYS 67 2HE LYS 67 14.854 -8.064 3.379 515 1HZ LYS 67 1HZ LYS 67 15.202 -6.094 1.950 516 2HZ LYS 67 2HZ LYS 67 13.913 -5.349 2.610 517 3HZ LYS 67 3HZ LYS 67 15.187 -5.739 3.557 518 H LYS 68 H LYS 68 11.374 -11.917 4.081 519 HA LYS 68 HA LYS 68 8.586 -11.599 4.646 520 1HB LYS 68 2HB LYS 68 10.284 -12.722 6.114 521 2HB LYS 68 1HB LYS 68 9.275 -11.577 6.982 522 1HG LYS 68 1HG LYS 68 11.917 -10.638 5.846 523 2HG LYS 68 2HG LYS 68 11.005 -9.970 7.195 524 1HD LYS 68 1HD LYS 68 11.635 -11.798 8.636 525 2HD LYS 68 2HD LYS 68 12.320 -12.715 7.268 526 1HE LYS 68 1HE LYS 68 13.996 -10.931 6.898 527 2HE LYS 68 2HE LYS 68 13.358 -10.048 8.297 528 1HZ LYS 68 1HZ LYS 68 14.543 -12.767 8.388 529 2HZ LYS 68 2HZ LYS 68 15.276 -11.370 8.894 530 3HZ LYS 68 3HZ LYS 68 13.948 -11.920 9.671 531 H ALA 69 H ALA 69 8.318 -9.865 6.527 532 HA ALA 69 HA ALA 69 9.325 -7.221 5.819 533 1HB ALA 69 3HB ALA 69 7.123 -7.285 4.676 534 2HB ALA 69 2HB ALA 69 7.092 -6.211 6.086 535 3HB ALA 69 1HB ALA 69 6.349 -7.800 6.189 536 H ASP 70 H ASP 70 9.248 -5.787 7.768 537 HA ASP 70 HA ASP 70 9.512 -7.288 10.209 538 1HB ASP 70 1HB ASP 70 10.233 -5.343 11.167 539 2HB ASP 70 2HB ASP 70 10.973 -5.431 9.594 540 H CYS 71 H CYS 71 7.023 -5.419 8.564 541 HA CYS 71 HA CYS 71 5.101 -6.432 10.566 542 1HB CYS 71 1HB CYS 71 4.041 -4.221 10.727 543 2HB CYS 71 2HB CYS 71 5.652 -4.252 11.419 544 H THR 72 H THR 72 2.711 -5.340 9.686 545 HA THR 72 HA THR 72 2.567 -5.882 6.805 546 HB THR 72 HB THR 72 0.572 -7.292 8.580 547 HG1 THR 72 HG1 THR 72 2.192 -8.388 9.277 548 1HG2 THR 72 1HG2 THR 72 0.095 -7.176 6.089 549 2HG2 THR 72 2HG2 THR 72 1.587 -8.013 5.786 550 3HG2 THR 72 3HG2 THR 72 0.280 -8.803 6.685 551 H ILE 73 H ILE 73 -0.084 -5.588 6.366 552 HA ILE 73 HA ILE 73 -1.370 -3.894 8.326 553 HB ILE 73 HB ILE 73 -0.029 -2.532 6.478 554 1HG1 ILE 73 1HG1 ILE 73 -2.834 -1.970 7.378 555 2HG1 ILE 73 2HG1 ILE 73 -1.347 -1.707 8.293 556 1HG2 ILE 73 1HG2 ILE 73 -1.182 -3.863 4.627 557 2HG2 ILE 73 2HG2 ILE 73 -2.628 -2.908 4.988 558 3HG2 ILE 73 3HG2 ILE 73 -1.143 -2.097 4.454 559 1HD1 ILE 73 1HD1 ILE 73 -0.602 -0.034 6.607 560 2HD1 ILE 73 2HD1 ILE 73 -2.133 -0.249 5.726 561 3HD1 ILE 73 3HD1 ILE 73 -2.144 0.419 7.363 562 H THR 74 H THR 74 -3.894 -3.823 7.462 563 HA THR 74 HA THR 74 -4.474 -6.094 5.644 564 HB THR 74 HB THR 74 -5.452 -5.923 8.494 565 HG1 THR 74 HG1 THR 74 -3.520 -7.130 7.534 566 1HG2 THR 74 1HG2 THR 74 -6.602 -7.577 6.190 567 2HG2 THR 74 2HG2 THR 74 -6.953 -7.832 7.916 568 3HG2 THR 74 3HG2 THR 74 -7.464 -6.339 7.138 569 H MET 75 H MET 75 -6.167 -5.403 4.118 570 HA MET 75 HA MET 75 -8.261 -3.888 5.523 571 1HB MET 75 1HB MET 75 -8.516 -2.114 3.749 572 2HB MET 75 2HB MET 75 -7.251 -1.924 4.949 573 1HG MET 75 1HG MET 75 -5.595 -2.807 3.217 574 2HG MET 75 2HG MET 75 -6.926 -2.701 2.052 575 1HE MET 75 1HE MET 75 -4.104 -0.957 3.922 576 2HE MET 75 2HE MET 75 -4.548 0.762 3.949 577 3HE MET 75 3HE MET 75 -5.413 -0.390 4.992 578 H ALA 76 H ALA 76 -7.322 -5.490 2.591 579 HA ALA 76 HA ALA 76 -8.677 -7.118 1.422 580 1HB ALA 76 1HB ALA 76 -10.912 -6.542 2.481 581 2HB ALA 76 2HB ALA 76 -10.881 -5.026 1.561 582 3HB ALA 76 3HB ALA 76 -10.941 -6.551 0.704 583 H ASP 77 H ASP 77 -8.796 -6.965 -0.796 584 HA ASP 77 HA ASP 77 -7.354 -4.992 -2.247 585 1HB ASP 77 1HB ASP 77 -7.894 -7.452 -2.819 586 2HB ASP 77 2HB ASP 77 -9.474 -6.919 -3.254 587 H SER 78 H SER 78 -10.747 -5.799 -1.936 588 HA SER 78 HA SER 78 -11.719 -3.901 -3.821 589 1HB SER 78 2HB SER 78 -13.940 -4.520 -2.966 590 2HB SER 78 1HB SER 78 -13.202 -5.316 -1.556 591 HG SER 78 HG SER 78 -12.481 -6.918 -2.815 592 H ASP 79 H ASP 79 -10.530 -3.362 -0.721 593 HA ASP 79 HA ASP 79 -11.740 -0.631 -0.695 594 1HB ASP 79 1HB ASP 79 -11.966 -2.210 1.415 595 2HB ASP 79 2HB ASP 79 -10.362 -1.579 1.777 596 H PHE 80 H PHE 80 -8.599 -2.364 -0.395 597 HA PHE 80 HA PHE 80 -6.793 -0.231 -0.327 598 1HB PHE 80 1HB PHE 80 -6.795 -2.944 -1.642 599 2HB PHE 80 2HB PHE 80 -5.592 -1.814 -2.177 600 HD1 PHE 80 HD1 PHE 80 -4.292 -0.541 -0.145 601 HD2 PHE 80 HD2 PHE 80 -5.909 -4.518 -0.179 602 HE1 PHE 80 HE1 PHE 80 -2.540 -1.254 1.432 603 HE2 PHE 80 HE2 PHE 80 -4.115 -5.274 1.333 604 HZ PHE 80 HZ PHE 80 -2.377 -3.687 2.143 605 H LEU 81 H LEU 81 -8.254 -1.742 -3.195 606 HA LEU 81 HA LEU 81 -7.363 -0.184 -5.281 607 1HB LEU 81 1HB LEU 81 -8.857 -2.231 -5.357 608 2HB LEU 81 2HB LEU 81 -10.193 -1.250 -4.850 609 HG LEU 81 HG LEU 81 -9.641 0.217 -6.974 610 1HD1 LEU 81 1HD1 LEU 81 -7.492 -0.919 -7.542 611 2HD1 LEU 81 2HD1 LEU 81 -8.361 -2.451 -7.764 612 3HD1 LEU 81 3HD1 LEU 81 -8.670 -1.062 -8.842 613 1HD2 LEU 81 1HD2 LEU 81 -10.849 -2.573 -7.189 614 2HD2 LEU 81 2HD2 LEU 81 -11.693 -1.084 -6.717 615 3HD2 LEU 81 3HD2 LEU 81 -11.074 -1.247 -8.361 616 H ALA 82 H ALA 82 -10.375 0.321 -3.448 617 HA ALA 82 HA ALA 82 -11.109 2.721 -4.714 618 1HB ALA 82 3HB ALA 82 -12.761 2.961 -2.958 619 2HB ALA 82 1HB ALA 82 -12.627 1.247 -3.391 620 3HB ALA 82 2HB ALA 82 -11.871 1.856 -1.899 621 H LEU 83 H LEU 83 -9.186 2.271 -1.736 622 HA LEU 83 HA LEU 83 -9.017 4.949 -0.912 623 1HB LEU 83 1HB LEU 83 -7.511 2.451 -0.434 624 2HB LEU 83 2HB LEU 83 -6.450 3.844 -0.426 625 HG LEU 83 HG LEU 83 -7.225 3.275 1.796 626 1HD1 LEU 83 1HD1 LEU 83 -6.660 5.621 1.270 627 2HD1 LEU 83 2HD1 LEU 83 -8.374 5.955 0.942 628 3HD1 LEU 83 3HD1 LEU 83 -7.867 5.462 2.565 629 1HD2 LEU 83 1HD2 LEU 83 -10.027 3.876 0.766 630 2HD2 LEU 83 2HD2 LEU 83 -9.416 2.332 1.340 631 3HD2 LEU 83 3HD2 LEU 83 -9.604 3.700 2.460 632 H MET 84 H MET 84 -6.548 3.279 -2.948 633 HA MET 84 HA MET 84 -5.372 5.864 -3.516 634 1HB MET 84 1HB MET 84 -3.713 4.494 -4.782 635 2HB MET 84 2HB MET 84 -3.885 4.260 -3.054 636 1HG MET 84 1HG MET 84 -5.541 2.281 -4.147 637 2HG MET 84 2HG MET 84 -4.168 2.357 -5.210 638 1HE MET 84 1HE MET 84 -1.511 2.291 -4.144 639 2HE MET 84 2HE MET 84 -1.896 3.400 -2.818 640 3HE MET 84 3HE MET 84 -1.216 1.835 -2.447 641 H THR 85 H THR 85 -7.667 3.846 -5.344 642 HA THR 85 HA THR 85 -6.935 5.011 -7.856 643 HB THR 85 HB THR 85 -9.513 3.620 -6.998 644 HG1 THR 85 HG1 THR 85 -7.894 2.272 -6.570 645 1HG2 THR 85 1HG2 THR 85 -8.207 3.841 -9.738 646 2HG2 THR 85 2HG2 THR 85 -9.548 2.750 -9.326 647 3HG2 THR 85 3HG2 THR 85 -9.792 4.502 -9.261 648 H GLY 86 H GLY 86 -8.364 6.521 -5.211 649 1HA GLY 86 1HA GLY 86 -9.086 8.728 -5.072 650 2HA GLY 86 2HA GLY 86 -9.217 8.819 -6.822 651 H LYS 87 H LYS 87 -10.592 6.962 -4.123 652 HA LYS 87 HA LYS 87 -13.351 7.449 -5.042 653 1HB LYS 87 1HB LYS 87 -12.363 5.408 -6.192 654 2HB LYS 87 2HB LYS 87 -12.274 4.640 -4.615 655 1HG LYS 87 1HG LYS 87 -14.643 4.594 -4.391 656 2HG LYS 87 2HG LYS 87 -14.854 5.630 -5.831 657 1HD LYS 87 1HD LYS 87 -14.057 3.902 -7.298 658 2HD LYS 87 2HD LYS 87 -13.450 2.932 -5.946 659 1HE LYS 87 1HE LYS 87 -15.530 2.011 -6.924 660 2HE LYS 87 2HE LYS 87 -15.657 2.382 -5.204 661 1HZ LYS 87 1HZ LYS 87 -16.637 4.163 -7.352 662 2HZ LYS 87 2HZ LYS 87 -17.585 3.111 -6.521 663 3HZ LYS 87 3HZ LYS 87 -16.871 4.374 -5.749 664 H MET 88 H MET 88 -11.117 7.206 -2.458 665 HA MET 88 HA MET 88 -13.257 7.253 -0.457 666 1HB MET 88 1HB MET 88 -11.272 4.983 -0.717 667 2HB MET 88 2HB MET 88 -11.903 5.466 0.866 668 1HG MET 88 1HG MET 88 -14.236 5.298 -0.190 669 2HG MET 88 2HG MET 88 -13.458 4.414 -1.502 670 1HE MET 88 1HE MET 88 -15.466 4.213 1.394 671 2HE MET 88 2HE MET 88 -15.841 3.099 0.059 672 3HE MET 88 3HE MET 88 -15.478 2.469 1.683 673 H ASN 89 H ASN 89 -12.627 7.997 1.572 674 HA ASN 89 HA ASN 89 -10.455 9.940 1.395 675 1HB ASN 89 1HB ASN 89 -12.921 9.821 2.733 676 2HB ASN 89 2HB ASN 89 -11.757 9.612 4.038 677 2HD2 ASN 89 1HD2 ASN 89 -13.027 11.783 4.543 678 1HD2 ASN 89 2HD2 ASN 89 -12.284 13.216 3.862 679 HA PRO 90 HA PRO 90 -7.313 7.650 2.999 680 1HB PRO 90 1HB PRO 90 -5.737 9.209 4.618 681 2HB PRO 90 2HB PRO 90 -5.983 9.485 2.864 682 1HG PRO 90 1HG PRO 90 -7.388 10.836 5.178 683 2HG PRO 90 2HG PRO 90 -6.666 11.594 3.725 684 1HD PRO 90 1HD PRO 90 -9.321 11.033 3.954 685 2HD PRO 90 2HD PRO 90 -8.484 10.923 2.377 686 H GLN 91 H GLN 91 -6.112 6.605 4.689 687 HA GLN 91 HA GLN 91 -6.063 5.003 6.126 688 1HB GLN 91 1HB GLN 91 -6.246 6.982 7.880 689 2HB GLN 91 2HB GLN 91 -7.811 6.235 8.214 690 1HG GLN 91 1HG GLN 91 -6.122 4.022 8.147 691 2HG GLN 91 2HG GLN 91 -5.051 5.266 8.777 692 2HE2 GLN 91 1HE2 GLN 91 -6.550 6.700 10.621 693 1HE2 GLN 91 2HE2 GLN 91 -7.209 5.600 11.822 694 H SER 92 H SER 92 -7.053 3.380 5.091 695 HA SER 92 HA SER 92 -9.854 3.116 4.506 696 1HB SER 92 1HB SER 92 -8.126 1.831 3.305 697 2HB SER 92 2HB SER 92 -7.581 1.105 4.815 698 HG SER 92 HG SER 92 -10.026 0.632 3.410 699 H ALA 93 H ALA 93 -7.829 1.502 6.952 700 HA ALA 93 HA ALA 93 -9.789 -0.076 7.958 701 1HB ALA 93 2HB ALA 93 -7.388 1.111 9.461 702 2HB ALA 93 3HB ALA 93 -8.217 -0.405 9.886 703 3HB ALA 93 1HB ALA 93 -7.327 -0.258 8.346 704 H PHE 94 H PHE 94 -8.746 2.843 9.817 705 HA PHE 94 HA PHE 94 -10.028 3.828 11.536 706 1HB PHE 94 1HB PHE 94 -9.413 5.278 9.723 707 2HB PHE 94 2HB PHE 94 -10.845 4.839 8.817 708 HD1 PHE 94 HD1 PHE 94 -10.910 5.519 12.558 709 HD2 PHE 94 HD2 PHE 94 -11.659 7.073 8.598 710 HE1 PHE 94 HE1 PHE 94 -12.159 7.392 13.531 711 HE2 PHE 94 HE2 PHE 94 -12.892 8.985 9.606 712 HZ PHE 94 HZ PHE 94 -13.165 9.135 12.069 713 H PHE 95 H PHE 95 -12.567 3.750 9.100 714 HA PHE 95 HA PHE 95 -14.644 3.425 11.069 715 1HB PHE 95 1HB PHE 95 -14.375 4.327 8.336 716 2HB PHE 95 2HB PHE 95 -15.560 3.044 8.358 717 HD1 PHE 95 HD1 PHE 95 -14.722 5.873 10.757 718 HD2 PHE 95 HD2 PHE 95 -17.688 3.896 8.341 719 HE1 PHE 95 HE1 PHE 95 -16.478 7.401 11.651 720 HE2 PHE 95 HE2 PHE 95 -19.415 5.454 9.178 721 HZ PHE 95 HZ PHE 95 -18.829 7.171 10.885 722 H GLN 96 H GLN 96 -13.801 1.335 8.194 723 HA GLN 96 HA GLN 96 -15.436 -0.750 8.950 724 1HB GLN 96 1HB GLN 96 -14.051 -2.074 7.314 725 2HB GLN 96 2HB GLN 96 -14.713 -0.566 6.740 726 1HG GLN 96 1HG GLN 96 -12.265 0.319 7.322 727 2HG GLN 96 2HG GLN 96 -11.851 -1.376 7.077 728 2HE2 GLN 96 1HE2 GLN 96 -12.071 1.553 5.506 729 1HE2 GLN 96 2HE2 GLN 96 -12.265 0.910 3.873 730 H GLY 97 H GLY 97 -12.502 -0.005 10.488 731 1HA GLY 97 1HA GLY 97 -11.431 -1.006 12.242 732 2HA GLY 97 2HA GLY 97 -12.993 -1.785 12.497 733 H LYS 98 H LYS 98 -11.127 -2.456 9.640 734 HA LYS 98 HA LYS 98 -11.201 -5.237 9.907 735 1HB LYS 98 1HB LYS 98 -9.699 -3.327 8.067 736 2HB LYS 98 2HB LYS 98 -9.618 -5.063 7.832 737 1HG LYS 98 1HG LYS 98 -12.232 -3.504 7.865 738 2HG LYS 98 2HG LYS 98 -11.305 -3.959 6.429 739 1HD LYS 98 1HD LYS 98 -11.473 -6.391 7.314 740 2HD LYS 98 2HD LYS 98 -12.736 -5.792 8.402 741 1HE LYS 98 1HE LYS 98 -14.197 -5.256 6.632 742 2HE LYS 98 2HE LYS 98 -12.898 -5.194 5.434 743 1HZ LYS 98 1HZ LYS 98 -13.739 -7.690 6.768 744 2HZ LYS 98 2HZ LYS 98 -14.268 -7.224 5.284 745 3HZ LYS 98 3HZ LYS 98 -12.675 -7.521 5.523 746 H LEU 99 H LEU 99 -9.543 -3.888 12.076 747 HA LEU 99 HA LEU 99 -7.560 -4.087 13.202 748 1HB LEU 99 1HB LEU 99 -8.761 -6.162 13.730 749 2HB LEU 99 2HB LEU 99 -7.989 -6.972 12.376 750 HG LEU 99 HG LEU 99 -5.771 -6.769 13.467 751 1HD1 LEU 99 1HD1 LEU 99 -7.299 -5.406 15.724 752 2HD1 LEU 99 2HD1 LEU 99 -5.625 -5.991 15.818 753 3HD1 LEU 99 3HD1 LEU 99 -6.021 -4.684 14.710 754 1HD2 LEU 99 1HD2 LEU 99 -7.209 -8.722 13.908 755 2HD2 LEU 99 2HD2 LEU 99 -6.195 -8.318 15.310 756 3HD2 LEU 99 3HD2 LEU 99 -7.920 -7.888 15.310 757 H LYS 100 H LYS 100 -6.784 -2.772 11.276 758 HA LYS 100 HA LYS 100 -4.928 -4.068 9.478 759 1HB LYS 100 1HB LYS 100 -4.425 -1.882 8.699 760 2HB LYS 100 2HB LYS 100 -6.115 -1.959 9.009 761 1HG LYS 100 2HG LYS 100 -5.655 -0.645 11.177 762 2HG LYS 100 1HG LYS 100 -5.369 0.194 9.642 763 1HD LYS 100 1HD LYS 100 -3.250 -0.890 11.456 764 2HD LYS 100 2HD LYS 100 -2.941 -0.291 9.819 765 1HE LYS 100 1HE LYS 100 -3.610 1.933 10.446 766 2HE LYS 100 2HE LYS 100 -4.309 1.347 11.978 767 1HZ LYS 100 1HZ LYS 100 -1.413 1.228 11.354 768 2HZ LYS 100 2HZ LYS 100 -2.138 2.340 12.332 769 3HZ LYS 100 3HZ LYS 100 -2.143 0.743 12.728 770 H ILE 101 H ILE 101 -2.721 -4.237 9.728 771 HA ILE 101 HA ILE 101 -1.804 -4.365 12.475 772 HB ILE 101 HB ILE 101 -0.739 -5.298 9.803 773 1HG1 ILE 101 1HG1 ILE 101 -0.731 -7.507 11.263 774 2HG1 ILE 101 2HG1 ILE 101 -1.879 -6.627 12.262 775 1HG2 ILE 101 1HG2 ILE 101 0.731 -5.506 12.426 776 2HG2 ILE 101 2HG2 ILE 101 1.167 -6.305 10.887 777 3HG2 ILE 101 3HG2 ILE 101 1.221 -4.555 11.001 778 1HD1 ILE 101 1HD1 ILE 101 -2.179 -7.156 9.273 779 2HD1 ILE 101 2HD1 ILE 101 -2.918 -8.117 10.566 780 3HD1 ILE 101 3HD1 ILE 101 -3.414 -6.436 10.342 781 H THR 102 H THR 102 0.586 -3.471 12.863 782 HA THR 102 HA THR 102 0.414 -0.566 12.410 783 HB THR 102 HB THR 102 2.759 -0.943 13.702 784 HG1 THR 102 HG1 THR 102 2.462 -3.285 13.834 785 1HG2 THR 102 1HG2 THR 102 0.824 0.414 14.477 786 2HG2 THR 102 2HG2 THR 102 0.091 -1.062 15.149 787 3HG2 THR 102 3HG2 THR 102 1.628 -0.462 15.782 788 H GLY 103 H GLY 103 1.627 0.477 10.880 789 1HA GLY 103 1HA GLY 103 3.641 -1.095 9.309 790 2HA GLY 103 2HA GLY 103 2.464 -0.013 8.574 791 H ASN 104 H ASN 104 4.818 0.112 11.317 792 HA ASN 104 HA ASN 104 6.040 1.747 12.182 793 1HB ASN 104 1HB ASN 104 6.173 3.023 9.422 794 2HB ASN 104 2HB ASN 104 7.052 3.571 10.835 795 2HD2 ASN 104 1HD2 ASN 104 9.065 2.705 11.264 796 1HD2 ASN 104 2HD2 ASN 104 9.711 1.356 10.361 797 H MET 105 H MET 105 5.644 4.699 11.320 798 HA MET 105 HA MET 105 2.970 5.103 12.530 799 1HB MET 105 1HB MET 105 5.111 4.914 14.119 800 2HB MET 105 2HB MET 105 5.416 6.564 13.584 801 1HG MET 105 1HG MET 105 3.320 7.285 14.563 802 2HG MET 105 2HG MET 105 2.764 5.611 14.740 803 1HE MET 105 1HE MET 105 4.760 8.554 16.294 804 2HE MET 105 2HE MET 105 5.825 7.757 17.470 805 3HE MET 105 3HE MET 105 6.136 7.570 15.730 806 H GLY 106 H GLY 106 2.155 7.299 12.074 807 1HA GLY 106 1HA GLY 106 1.796 9.112 10.774 808 2HA GLY 106 2HA GLY 106 3.554 9.252 10.605 809 H LEU 107 H LEU 107 2.446 6.259 9.479 810 HA LEU 107 HA LEU 107 3.706 6.584 7.075 811 1HB LEU 107 1HB LEU 107 2.975 4.372 6.541 812 2HB LEU 107 2HB LEU 107 3.206 4.464 8.278 813 HG LEU 107 HG LEU 107 0.545 5.070 8.172 814 1HD1 LEU 107 1HD1 LEU 107 0.519 4.807 5.612 815 2HD1 LEU 107 2HD1 LEU 107 0.954 3.139 5.850 816 3HD1 LEU 107 3HD1 LEU 107 -0.606 3.764 6.474 817 1HD2 LEU 107 1HD2 LEU 107 1.607 3.278 9.457 818 2HD2 LEU 107 2HD2 LEU 107 0.058 2.789 8.729 819 3HD2 LEU 107 3HD2 LEU 107 1.602 2.253 8.013 820 H ALA 108 H ALA 108 0.196 7.125 7.642 821 HA ALA 108 HA ALA 108 -0.336 6.987 4.774 822 1HB ALA 108 2HB ALA 108 -2.196 7.728 7.053 823 2HB ALA 108 1HB ALA 108 -2.018 6.126 6.323 824 3HB ALA 108 3HB ALA 108 -2.657 7.475 5.362 825 H MET 109 H MET 109 -1.563 9.538 6.819 826 HA MET 109 HA MET 109 -1.696 11.814 6.389 827 1HB MET 109 1HB MET 109 1.086 11.081 7.326 828 2HB MET 109 2HB MET 109 0.530 12.753 7.280 829 1HG MET 109 1HG MET 109 -1.055 10.603 8.714 830 2HG MET 109 2HG MET 109 0.272 11.446 9.495 831 1HE MET 109 1HE MET 109 -2.180 11.627 11.123 832 2HE MET 109 2HE MET 109 -3.477 12.747 10.640 833 3HE MET 109 3HE MET 109 -3.235 11.252 9.744 834 H LYS 110 H LYS 110 1.542 11.155 5.068 835 HA LYS 110 HA LYS 110 1.200 13.504 3.276 836 1HB LYS 110 1HB LYS 110 3.335 12.656 4.851 837 2HB LYS 110 2HB LYS 110 3.853 12.194 3.239 838 1HG LYS 110 1HG LYS 110 2.740 14.962 3.850 839 2HG LYS 110 2HG LYS 110 4.422 14.562 4.191 840 1HD LYS 110 1HD LYS 110 4.962 14.162 1.935 841 2HD LYS 110 2HD LYS 110 3.280 14.129 1.409 842 1HE LYS 110 1HE LYS 110 4.589 16.604 2.623 843 2HE LYS 110 2HE LYS 110 4.596 16.248 0.892 844 1HZ LYS 110 1HZ LYS 110 2.173 16.187 0.965 845 2HZ LYS 110 2HZ LYS 110 2.145 16.700 2.506 846 3HZ LYS 110 3HZ LYS 110 2.792 17.665 1.335 847 H LEU 111 H LEU 111 -0.387 11.301 2.638 848 HA LEU 111 HA LEU 111 0.815 9.973 0.293 849 1HB LEU 111 1HB LEU 111 -1.363 8.980 -0.069 850 2HB LEU 111 2HB LEU 111 -0.744 8.649 1.530 851 HG LEU 111 HG LEU 111 -2.373 10.971 1.842 852 1HD1 LEU 111 1HD1 LEU 111 -3.413 10.433 -0.380 853 2HD1 LEU 111 2HD1 LEU 111 -3.860 8.832 0.243 854 3HD1 LEU 111 3HD1 LEU 111 -4.553 10.299 0.966 855 1HD2 LEU 111 1HD2 LEU 111 -2.016 9.099 3.432 856 2HD2 LEU 111 2HD2 LEU 111 -3.679 9.662 3.283 857 3HD2 LEU 111 3HD2 LEU 111 -3.187 8.141 2.498 858 H GLN 112 H GLN 112 1.370 11.527 -1.180 859 HA GLN 112 HA GLN 112 -0.915 13.152 -2.245 860 1HB GLN 112 1HB GLN 112 1.941 13.912 -1.748 861 2HB GLN 112 2HB GLN 112 1.302 14.327 -3.331 862 1HG GLN 112 1HG GLN 112 0.728 16.218 -2.208 863 2HG GLN 112 2HG GLN 112 -0.766 15.312 -2.075 864 2HE2 GLN 112 1HE2 GLN 112 -0.747 17.228 -0.216 865 1HE2 GLN 112 2HE2 GLN 112 -0.249 16.588 1.340 866 H ASN 113 H ASN 113 2.173 11.634 -3.394 867 HA ASN 113 HA ASN 113 0.605 10.420 -5.645 868 1HB ASN 113 1HB ASN 113 3.615 10.707 -5.234 869 2HB ASN 113 2HB ASN 113 2.873 9.717 -6.482 870 2HD2 ASN 113 1HD2 ASN 113 3.276 13.062 -5.362 871 1HD2 ASN 113 2HD2 ASN 113 2.785 13.820 -6.867 872 H LEU 114 H LEU 114 2.002 9.579 -2.581 873 HA LEU 114 HA LEU 114 2.778 6.933 -3.229 874 1HB LEU 114 1HB LEU 114 3.407 8.442 -1.189 875 2HB LEU 114 2HB LEU 114 1.949 7.784 -0.457 876 HG LEU 114 HG LEU 114 3.072 5.427 -1.097 877 1HD1 LEU 114 1HD1 LEU 114 5.492 7.246 -1.005 878 2HD1 LEU 114 2HD1 LEU 114 5.522 5.479 -0.926 879 3HD1 LEU 114 3HD1 LEU 114 4.947 6.288 -2.391 880 1HD2 LEU 114 1HD2 LEU 114 3.999 7.135 1.212 881 2HD2 LEU 114 2HD2 LEU 114 2.536 6.143 1.129 882 3HD2 LEU 114 3HD2 LEU 114 4.120 5.366 1.094 883 H GLN 115 H GLN 115 -0.384 8.064 -3.053 884 HA GLN 115 HA GLN 115 -1.344 5.328 -3.193 885 1HB GLN 115 1HB GLN 115 -2.593 7.449 -1.364 886 2HB GLN 115 2HB GLN 115 -3.423 5.980 -1.859 887 1HG GLN 115 1HG GLN 115 -1.501 4.661 -0.862 888 2HG GLN 115 2HG GLN 115 -0.913 6.169 -0.162 889 2HE2 GLN 115 1HE2 GLN 115 -1.321 6.045 2.062 890 1HE2 GLN 115 2HE2 GLN 115 -2.901 5.569 2.701 891 H LEU 116 H LEU 116 -0.638 6.653 -5.454 892 HA LEU 116 HA LEU 116 -1.244 7.676 -7.251 893 1HB LEU 116 1HB LEU 116 -3.466 5.830 -6.551 894 2HB LEU 116 2HB LEU 116 -3.772 6.893 -7.911 895 HG LEU 116 HG LEU 116 -1.325 5.113 -7.623 896 1HD1 LEU 116 1HD1 LEU 116 -3.403 3.807 -7.835 897 2HD1 LEU 116 2HD1 LEU 116 -3.831 4.706 -9.299 898 3HD1 LEU 116 3HD1 LEU 116 -2.403 3.651 -9.281 899 1HD2 LEU 116 1HD2 LEU 116 -1.968 7.310 -9.461 900 2HD2 LEU 116 2HD2 LEU 116 -0.474 6.358 -9.279 901 3HD2 LEU 116 3HD2 LEU 116 -1.784 5.803 -10.338 902 H GLN 117 H GLN 117 -3.456 8.763 -8.407 903 HA GLN 117 HA GLN 117 -4.158 11.005 -6.692 904 1HB GLN 117 1HB GLN 117 -1.852 11.190 -8.330 905 2HB GLN 117 2HB GLN 117 -3.104 12.078 -9.215 906 1HG GLN 117 1HG GLN 117 -3.603 13.400 -7.194 907 2HG GLN 117 2HG GLN 117 -2.452 12.443 -6.267 908 2HE2 GLN 117 1HE2 GLN 117 -0.236 12.707 -6.587 909 1HE2 GLN 117 2HE2 GLN 117 0.398 14.199 -7.288 910 HA PRO 118 HA PRO 118 -7.701 10.600 -9.447 911 1HB PRO 118 1HB PRO 118 -9.280 12.589 -8.440 912 2HB PRO 118 2HB PRO 118 -8.985 11.072 -7.540 913 1HG PRO 118 2HG PRO 118 -8.278 12.776 -5.957 914 2HG PRO 118 1HG PRO 118 -7.516 13.720 -7.267 915 1HD PRO 118 1HD PRO 118 -5.647 12.555 -6.500 916 2HD PRO 118 2HD PRO 118 -6.600 11.100 -6.060 917 H GLY 119 H GLY 119 -8.902 12.196 -10.870 918 1HA GLY 119 1HA GLY 119 -8.557 14.501 -12.035 919 2HA GLY 119 2HA GLY 119 -6.903 13.888 -12.267 920 H ASN 120 H ASN 120 -10.309 12.706 -12.625 921 HA ASN 120 HA ASN 120 -9.672 11.666 -15.276 922 1HB ASN 120 1HB ASN 120 -9.352 9.904 -13.152 923 2HB ASN 120 2HB ASN 120 -11.046 9.653 -13.556 924 2HD2 ASN 120 1HD2 ASN 120 -7.892 8.783 -14.309 925 1HD2 ASN 120 2HD2 ASN 120 -8.112 8.145 -15.930 926 H ALA 121 H ALA 121 -11.754 10.710 -16.222 927 HA ALA 121 HA ALA 121 -14.204 12.082 -15.284 928 1HB ALA 121 1HB ALA 121 -12.798 13.825 -16.420 929 2HB ALA 121 2HB ALA 121 -12.826 12.843 -17.901 930 3HB ALA 121 3HB ALA 121 -14.331 13.533 -17.240 931 H LYS 122 H LYS 122 -13.253 9.173 -16.216 932 HA LYS 122 HA LYS 122 -15.325 8.848 -18.330 933 1HB LYS 122 1HB LYS 122 -12.439 7.874 -18.461 934 2HB LYS 122 2HB LYS 122 -13.727 7.345 -19.539 935 1HG LYS 122 1HG LYS 122 -14.053 9.697 -20.311 936 2HG LYS 122 2HG LYS 122 -12.699 10.201 -19.279 937 1HD LYS 122 1HD LYS 122 -11.176 8.683 -20.528 938 2HD LYS 122 2HD LYS 122 -12.529 8.156 -21.539 939 1HE LYS 122 2HE LYS 122 -12.813 10.442 -22.417 940 2HE LYS 122 1HE LYS 122 -11.201 9.788 -22.745 941 1HZ LYS 122 1HZ LYS 122 -10.361 11.065 -20.885 942 2HZ LYS 122 2HZ LYS 122 -11.049 12.047 -22.012 943 3HZ LYS 122 3HZ LYS 122 -11.876 11.753 -20.655 944 H LEU 123 H LEU 123 -16.177 6.931 -18.534 945 HA LEU 123 HA LEU 123 -17.397 5.253 -17.681 946 1HB LEU 123 1HB LEU 123 -15.224 4.535 -19.082 947 2HB LEU 123 2HB LEU 123 -14.870 3.624 -17.624 948 HG LEU 123 HG LEU 123 -17.578 3.545 -19.025 949 1HD1 LEU 123 1HD1 LEU 123 -15.823 2.900 -20.625 950 2HD1 LEU 123 2HD1 LEU 123 -15.273 1.632 -19.504 951 3HD1 LEU 123 3HD1 LEU 123 -16.904 1.561 -20.212 952 1HD2 LEU 123 1HD2 LEU 123 -16.238 1.617 -17.083 953 2HD2 LEU 123 2HD2 LEU 123 -17.659 2.642 -16.775 954 3HD2 LEU 123 3HD2 LEU 123 -17.770 1.309 -17.933 No H/Q in entry = 954 Start of MODEL 18 1 H SER 1 H SER 1 3.529 -19.776 -11.164 2 HA SER 1 HA SER 1 2.216 -21.293 -10.135 3 1HB SER 1 2HB SER 1 2.539 -21.666 -7.786 4 2HB SER 1 1HB SER 1 3.135 -20.023 -7.532 5 HG SER 1 HG SER 1 4.746 -21.705 -7.741 6 H SER 2 H SER 2 0.427 -20.320 -11.077 7 HA SER 2 HA SER 2 -0.637 -17.926 -10.532 8 1HB SER 2 1HB SER 2 -0.892 -19.588 -12.490 9 2HB SER 2 2HB SER 2 -2.293 -20.234 -11.632 10 HG SER 2 HG SER 2 -3.290 -18.277 -11.812 11 H ALA 3 H ALA 3 -0.984 -17.448 -8.377 12 HA ALA 3 HA ALA 3 -3.439 -18.540 -7.081 13 1HB ALA 3 2HB ALA 3 -0.667 -18.199 -5.840 14 2HB ALA 3 1HB ALA 3 -1.339 -19.744 -6.371 15 3HB ALA 3 3HB ALA 3 -2.113 -18.851 -5.036 16 H SER 4 H SER 4 -1.264 -15.827 -7.650 17 HA SER 4 HA SER 4 -2.600 -14.044 -5.719 18 1HB SER 4 1HB SER 4 0.226 -15.188 -5.661 19 2HB SER 4 2HB SER 4 -0.261 -13.772 -4.717 20 HG SER 4 HG SER 4 -1.880 -15.097 -3.751 21 H ASP 5 H ASP 5 -0.335 -12.280 -5.801 22 HA ASP 5 HA ASP 5 0.975 -10.806 -7.112 23 1HB ASP 5 2HB ASP 5 2.390 -12.077 -8.592 24 2HB ASP 5 1HB ASP 5 1.114 -13.176 -8.995 25 H GLY 6 H GLY 6 -1.851 -10.871 -8.162 26 1HA GLY 6 1HA GLY 6 -1.295 -9.558 -10.808 27 2HA GLY 6 2HA GLY 6 -2.099 -11.121 -10.778 28 H PHE 7 H PHE 7 -3.008 -8.996 -8.161 29 HA PHE 7 HA PHE 7 -5.769 -9.001 -9.162 30 1HB PHE 7 2HB PHE 7 -6.322 -8.306 -6.957 31 2HB PHE 7 1HB PHE 7 -4.708 -7.802 -6.590 32 HD1 PHE 7 HD1 PHE 7 -4.535 -11.131 -8.113 33 HD2 PHE 7 HD2 PHE 7 -5.542 -9.018 -4.485 34 HE1 PHE 7 HE1 PHE 7 -4.285 -13.175 -6.885 35 HE2 PHE 7 HE2 PHE 7 -5.335 -11.121 -3.227 36 HZ PHE 7 HZ PHE 7 -4.766 -13.261 -4.457 37 H LYS 8 H LYS 8 -6.900 -6.667 -8.419 38 HA LYS 8 HA LYS 8 -5.620 -4.878 -10.377 39 1HB LYS 8 1HB LYS 8 -8.182 -5.184 -9.922 40 2HB LYS 8 2HB LYS 8 -7.927 -3.894 -8.738 41 1HG LYS 8 1HG LYS 8 -6.884 -2.498 -10.579 42 2HG LYS 8 2HG LYS 8 -7.102 -3.860 -11.689 43 1HD LYS 8 1HD LYS 8 -9.629 -3.682 -11.076 44 2HD LYS 8 2HD LYS 8 -9.231 -2.064 -10.501 45 1HE LYS 8 1HE LYS 8 -8.691 -3.191 -13.302 46 2HE LYS 8 2HE LYS 8 -10.059 -2.170 -12.860 47 1HZ LYS 8 1HZ LYS 8 -7.240 -1.246 -12.768 48 2HZ LYS 8 2HZ LYS 8 -8.347 -0.910 -13.913 49 3HZ LYS 8 3HZ LYS 8 -8.605 -0.357 -12.440 50 H ALA 9 H ALA 9 -5.468 -5.230 -6.866 51 HA ALA 9 HA ALA 9 -4.124 -2.937 -6.105 52 1HB ALA 9 3HB ALA 9 -2.865 -4.405 -4.598 53 2HB ALA 9 2HB ALA 9 -3.254 -5.822 -5.564 54 3HB ALA 9 1HB ALA 9 -4.537 -4.972 -4.672 55 H ASN 10 H ASN 10 -3.008 -5.322 -8.479 56 HA ASN 10 HA ASN 10 -0.189 -5.044 -8.238 57 1HB ASN 10 1HB ASN 10 -1.558 -6.857 -9.390 58 2HB ASN 10 2HB ASN 10 -1.879 -5.713 -10.688 59 2HD2 ASN 10 1HD2 ASN 10 0.258 -8.098 -9.460 60 1HD2 ASN 10 2HD2 ASN 10 1.572 -7.889 -10.541 61 H LEU 11 H LEU 11 -2.646 -3.264 -10.099 62 HA LEU 11 HA LEU 11 -0.985 -1.576 -11.656 63 1HB LEU 11 1HB LEU 11 -3.795 -1.214 -10.478 64 2HB LEU 11 2HB LEU 11 -3.085 -0.172 -11.666 65 HG LEU 11 HG LEU 11 -4.779 -1.707 -12.547 66 1HD1 LEU 11 1HD1 LEU 11 -3.062 -0.769 -13.999 67 2HD1 LEU 11 2HD1 LEU 11 -2.028 -2.192 -13.712 68 3HD1 LEU 11 3HD1 LEU 11 -3.594 -2.366 -14.549 69 1HD2 LEU 11 1HD2 LEU 11 -4.116 -3.764 -11.204 70 2HD2 LEU 11 2HD2 LEU 11 -4.517 -4.001 -12.909 71 3HD2 LEU 11 3HD2 LEU 11 -2.822 -4.010 -12.379 72 H VAL 12 H VAL 12 -2.628 -1.210 -8.556 73 HA VAL 12 HA VAL 12 -1.941 1.490 -8.070 74 HB VAL 12 HB VAL 12 -3.477 -0.764 -6.870 75 1HG1 VAL 12 1HG1 VAL 12 -2.438 1.384 -5.040 76 2HG1 VAL 12 2HG1 VAL 12 -3.897 0.422 -4.728 77 3HG1 VAL 12 3HG1 VAL 12 -2.325 -0.369 -4.849 78 1HG2 VAL 12 1HG2 VAL 12 -3.942 2.218 -7.181 79 2HG2 VAL 12 2HG2 VAL 12 -4.510 0.931 -8.267 80 3HG2 VAL 12 3HG2 VAL 12 -5.146 1.051 -6.616 81 H PHE 13 H PHE 13 -0.536 -1.571 -6.738 82 HA PHE 13 HA PHE 13 1.213 -0.102 -4.964 83 1HB PHE 13 1HB PHE 13 1.430 -2.918 -6.063 84 2HB PHE 13 2HB PHE 13 2.375 -2.267 -4.738 85 HD1 PHE 13 HD1 PHE 13 0.004 -0.789 -3.246 86 HD2 PHE 13 HD2 PHE 13 0.450 -4.708 -4.961 87 HE1 PHE 13 HE1 PHE 13 -1.498 -1.750 -1.520 88 HE2 PHE 13 HE2 PHE 13 -0.896 -5.673 -3.145 89 HZ PHE 13 HZ PHE 13 -1.929 -4.157 -1.425 90 H LYS 14 H LYS 14 1.503 -1.109 -8.375 91 HA LYS 14 HA LYS 14 4.337 -0.833 -8.455 92 1HB LYS 14 1HB LYS 14 2.766 -1.935 -9.985 93 2HB LYS 14 2HB LYS 14 2.398 -0.415 -10.754 94 1HG LYS 14 1HG LYS 14 4.752 -0.066 -11.479 95 2HG LYS 14 2HG LYS 14 5.304 -1.355 -10.469 96 1HD LYS 14 1HD LYS 14 5.200 -2.465 -12.522 97 2HD LYS 14 2HD LYS 14 3.658 -2.916 -11.842 98 1HE LYS 14 2HE LYS 14 2.894 -0.698 -13.141 99 2HE LYS 14 1HE LYS 14 2.932 -2.293 -13.913 100 1HZ LYS 14 1HZ LYS 14 5.290 -0.528 -14.050 101 2HZ LYS 14 2HZ LYS 14 4.924 -1.810 -14.967 102 3HZ LYS 14 3HZ LYS 14 4.082 -0.400 -15.147 103 H GLU 15 H GLU 15 1.730 1.450 -8.861 104 HA GLU 15 HA GLU 15 3.322 3.750 -9.515 105 1HB GLU 15 1HB GLU 15 0.699 3.233 -8.215 106 2HB GLU 15 2HB GLU 15 1.495 4.738 -7.726 107 1HG GLU 15 1HG GLU 15 1.086 3.899 -10.615 108 2HG GLU 15 2HG GLU 15 -0.040 4.852 -9.689 109 H ILE 16 H ILE 16 2.661 2.346 -6.244 110 HA ILE 16 HA ILE 16 4.195 4.286 -4.846 111 HB ILE 16 HB ILE 16 3.364 1.422 -4.180 112 1HG1 ILE 16 1HG1 ILE 16 2.165 4.094 -3.341 113 2HG1 ILE 16 2HG1 ILE 16 1.422 3.032 -4.527 114 1HG2 ILE 16 1HG2 ILE 16 5.342 2.115 -2.894 115 2HG2 ILE 16 2HG2 ILE 16 4.486 3.576 -2.365 116 3HG2 ILE 16 3HG2 ILE 16 3.930 1.951 -1.867 117 1HD1 ILE 16 1HD1 ILE 16 1.269 1.243 -2.759 118 2HD1 ILE 16 2HD1 ILE 16 1.752 2.475 -1.564 119 3HD1 ILE 16 3HD1 ILE 16 0.268 2.690 -2.496 120 H GLU 17 H GLU 17 4.967 1.056 -6.223 121 HA GLU 17 HA GLU 17 7.757 1.130 -5.725 122 1HB GLU 17 1HB GLU 17 6.644 -0.896 -6.642 123 2HB GLU 17 2HB GLU 17 6.311 -0.034 -8.095 124 1HG GLU 17 1HG GLU 17 8.761 0.304 -8.512 125 2HG GLU 17 2HG GLU 17 9.121 -0.563 -7.053 126 H LYS 18 H LYS 18 6.038 2.418 -8.620 127 HA LYS 18 HA LYS 18 8.328 2.943 -10.017 128 1HB LYS 18 1HB LYS 18 5.604 4.273 -10.082 129 2HB LYS 18 2HB LYS 18 6.924 5.134 -10.847 130 1HG LYS 18 1HG LYS 18 7.431 3.124 -12.251 131 2HG LYS 18 2HG LYS 18 5.996 2.348 -11.571 132 1HD LYS 18 2HD LYS 18 4.653 4.353 -12.406 133 2HD LYS 18 1HD LYS 18 5.303 3.257 -13.635 134 1HE LYS 18 1HE LYS 18 6.501 5.941 -12.814 135 2HE LYS 18 2HE LYS 18 7.172 4.840 -14.040 136 1HZ LYS 18 1HZ LYS 18 5.061 5.089 -15.254 137 2HZ LYS 18 2HZ LYS 18 4.536 6.171 -14.140 138 3HZ LYS 18 3HZ LYS 18 5.839 6.533 -15.088 139 H LYS 19 H LYS 19 6.592 5.121 -7.768 140 HA LYS 19 HA LYS 19 8.412 7.274 -8.027 141 1HB LYS 19 1HB LYS 19 6.009 7.318 -7.220 142 2HB LYS 19 2HB LYS 19 6.539 6.616 -5.692 143 1HG LYS 19 1HG LYS 19 6.168 9.080 -5.635 144 2HG LYS 19 2HG LYS 19 7.786 8.589 -5.145 145 1HD LYS 19 1HD LYS 19 8.731 9.301 -7.270 146 2HD LYS 19 2HD LYS 19 7.141 9.523 -7.977 147 1HE LYS 19 1HE LYS 19 8.267 11.121 -5.659 148 2HE LYS 19 2HE LYS 19 8.344 11.618 -7.350 149 1HZ LYS 19 1HZ LYS 19 5.928 11.580 -7.424 150 2HZ LYS 19 2HZ LYS 19 5.834 11.253 -5.838 151 3HZ LYS 19 3HZ LYS 19 6.504 12.679 -6.365 152 H LEU 20 H LEU 20 8.608 4.328 -6.007 153 HA LEU 20 HA LEU 20 10.651 5.373 -4.299 154 1HB LEU 20 1HB LEU 20 9.158 2.865 -4.668 155 2HB LEU 20 2HB LEU 20 10.838 2.575 -4.412 156 HG LEU 20 HG LEU 20 9.901 4.669 -2.564 157 1HD1 LEU 20 1HD1 LEU 20 7.795 3.601 -2.932 158 2HD1 LEU 20 2HD1 LEU 20 8.489 2.020 -2.469 159 3HD1 LEU 20 3HD1 LEU 20 8.395 3.352 -1.277 160 1HD2 LEU 20 1HD2 LEU 20 11.942 3.258 -2.293 161 2HD2 LEU 20 2HD2 LEU 20 10.898 3.323 -0.875 162 3HD2 LEU 20 3HD2 LEU 20 10.858 1.881 -1.911 163 H GLU 21 H GLU 21 10.507 3.552 -7.380 164 HA GLU 21 HA GLU 21 13.312 3.279 -7.608 165 1HB GLU 21 2HB GLU 21 12.981 2.848 -9.931 166 2HB GLU 21 1HB GLU 21 11.382 3.587 -9.915 167 1HG GLU 21 1HG GLU 21 10.698 1.736 -8.247 168 2HG GLU 21 2HG GLU 21 10.972 1.269 -9.905 169 H GLU 22 H GLU 22 11.114 5.954 -8.658 170 HA GLU 22 HA GLU 22 13.046 7.450 -10.058 171 1HB GLU 22 1HB GLU 22 10.564 8.454 -8.600 172 2HB GLU 22 2HB GLU 22 11.513 9.369 -9.768 173 1HG GLU 22 1HG GLU 22 10.992 7.326 -11.356 174 2HG GLU 22 2HG GLU 22 9.659 7.054 -10.244 175 H GLU 23 H GLU 23 12.070 7.654 -6.612 176 HA GLU 23 HA GLU 23 14.610 8.727 -5.853 177 1HB GLU 23 1HB GLU 23 13.339 10.715 -6.939 178 2HB GLU 23 2HB GLU 23 12.266 10.625 -5.549 179 1HG GLU 23 1HG GLU 23 14.292 10.725 -4.119 180 2HG GLU 23 2HG GLU 23 15.245 10.891 -5.589 181 H GLY 24 H GLY 24 13.831 6.503 -4.850 182 1HA GLY 24 1HA GLY 24 11.780 6.259 -2.974 183 2HA GLY 24 2HA GLY 24 13.217 5.290 -3.093 184 H GLU 25 H GLU 25 15.147 7.426 -2.278 185 HA GLU 25 HA GLU 25 15.162 7.429 0.452 186 1HB GLU 25 1HB GLU 25 16.403 9.571 0.470 187 2HB GLU 25 2HB GLU 25 17.008 8.445 -0.704 188 1HG GLU 25 2HG GLU 25 15.206 9.972 -2.209 189 2HG GLU 25 1HG GLU 25 16.953 10.078 -2.218 190 H GLN 26 H GLN 26 13.112 9.578 -1.483 191 HA GLN 26 HA GLN 26 12.251 11.117 0.834 192 1HB GLN 26 1HB GLN 26 12.444 11.721 -1.766 193 2HB GLN 26 2HB GLN 26 10.782 11.136 -1.789 194 1HG GLN 26 1HG GLN 26 10.383 12.671 0.280 195 2HG GLN 26 2HG GLN 26 11.996 13.340 -0.037 196 2HE2 GLN 26 1HE2 GLN 26 12.333 14.059 -2.394 197 1HE2 GLN 26 2HE2 GLN 26 10.979 14.804 -3.177 198 H PHE 27 H PHE 27 11.279 8.117 -0.537 199 HA PHE 27 HA PHE 27 8.529 8.230 0.564 200 1HB PHE 27 1HB PHE 27 9.970 6.740 -1.557 201 2HB PHE 27 2HB PHE 27 8.962 5.751 -0.513 202 HD1 PHE 27 HD1 PHE 27 8.545 9.251 -1.880 203 HD2 PHE 27 HD2 PHE 27 6.952 5.245 -1.675 204 HE1 PHE 27 HE1 PHE 27 6.596 9.949 -3.217 205 HE2 PHE 27 HE2 PHE 27 5.042 5.944 -3.087 206 HZ PHE 27 HZ PHE 27 4.847 8.282 -3.843 207 H VAL 28 H VAL 28 11.721 6.711 0.927 208 HA VAL 28 HA VAL 28 11.239 4.884 2.986 209 HB VAL 28 HB VAL 28 13.665 6.534 2.235 210 1HG1 VAL 28 1HG1 VAL 28 13.488 4.329 4.308 211 2HG1 VAL 28 2HG1 VAL 28 15.002 4.903 3.596 212 3HG1 VAL 28 3HG1 VAL 28 14.020 6.009 4.579 213 1HG2 VAL 28 1HG2 VAL 28 12.880 4.655 0.659 214 2HG2 VAL 28 2HG2 VAL 28 14.519 4.482 1.280 215 3HG2 VAL 28 3HG2 VAL 28 13.226 3.514 1.961 216 H LYS 29 H LYS 29 11.876 8.510 3.301 217 HA LYS 29 HA LYS 29 11.751 8.307 6.144 218 1HB LYS 29 2HB LYS 29 12.678 10.225 5.023 219 2HB LYS 29 1HB LYS 29 11.474 10.682 6.220 220 1HG LYS 29 1HG LYS 29 11.002 10.646 3.233 221 2HG LYS 29 2HG LYS 29 9.857 11.222 4.461 222 1HD LYS 29 1HD LYS 29 11.541 12.970 5.133 223 2HD LYS 29 2HD LYS 29 12.642 12.342 3.893 224 1HE LYS 29 1HE LYS 29 10.599 12.766 2.280 225 2HE LYS 29 2HE LYS 29 10.049 13.865 3.555 226 1HZ LYS 29 1HZ LYS 29 12.279 14.940 3.369 227 2HZ LYS 29 2HZ LYS 29 12.640 13.964 2.127 228 3HZ LYS 29 3HZ LYS 29 11.402 15.064 1.962 229 H LYS 30 H LYS 30 9.144 8.122 3.894 230 HA LYS 30 HA LYS 30 7.211 9.535 5.512 231 1HB LYS 30 2HB LYS 30 5.565 8.802 3.850 232 2HB LYS 30 1HB LYS 30 6.720 7.639 3.204 233 1HG LYS 30 1HG LYS 30 8.182 9.946 2.950 234 2HG LYS 30 2HG LYS 30 7.146 9.233 1.727 235 1HD LYS 30 1HD LYS 30 5.324 10.738 2.228 236 2HD LYS 30 2HD LYS 30 6.280 11.483 3.552 237 1HE LYS 30 1HE LYS 30 7.908 12.350 2.054 238 2HE LYS 30 2HE LYS 30 7.457 11.224 0.774 239 1HZ LYS 30 1HZ LYS 30 5.419 12.434 0.453 240 2HZ LYS 30 2HZ LYS 30 5.837 13.565 1.594 241 3HZ LYS 30 3HZ LYS 30 6.698 13.386 0.219 242 H ILE 31 H ILE 31 8.166 6.147 5.320 243 HA ILE 31 HA ILE 31 6.165 5.320 7.395 244 HB ILE 31 HB ILE 31 7.293 4.002 4.959 245 1HG1 ILE 31 1HG1 ILE 31 4.498 3.483 5.397 246 2HG1 ILE 31 2HG1 ILE 31 4.730 5.161 5.791 247 1HG2 ILE 31 1HG2 ILE 31 7.629 2.391 6.800 248 2HG2 ILE 31 2HG2 ILE 31 5.907 2.558 7.229 249 3HG2 ILE 31 3HG2 ILE 31 6.412 1.874 5.666 250 1HD1 ILE 31 1HD1 ILE 31 5.857 5.517 3.555 251 2HD1 ILE 31 2HD1 ILE 31 5.463 3.841 3.143 252 3HD1 ILE 31 3HD1 ILE 31 4.165 5.008 3.462 253 H GLY 32 H GLY 32 9.591 4.781 6.119 254 1HA GLY 32 1HA GLY 32 11.499 4.326 7.129 255 2HA GLY 32 2HA GLY 32 10.775 4.853 8.653 256 H GLY 33 H GLY 33 10.232 1.888 6.468 257 1HA GLY 33 1HA GLY 33 11.352 0.057 8.178 258 2HA GLY 33 2HA GLY 33 9.660 0.115 8.653 259 H ILE 34 H ILE 34 10.828 -2.194 7.360 260 HA ILE 34 HA ILE 34 9.569 -2.157 4.680 261 HB ILE 34 HB ILE 34 10.458 -4.566 6.319 262 1HG1 ILE 34 2HG1 ILE 34 11.895 -2.773 4.418 263 2HG1 ILE 34 1HG1 ILE 34 12.003 -4.461 3.960 264 1HG2 ILE 34 1HG2 ILE 34 9.519 -4.323 3.426 265 2HG2 ILE 34 2HG2 ILE 34 10.173 -5.797 4.171 266 3HG2 ILE 34 3HG2 ILE 34 8.642 -5.137 4.729 267 1HD1 ILE 34 1HD1 ILE 34 12.809 -4.969 6.309 268 2HD1 ILE 34 2HD1 ILE 34 13.887 -3.978 5.311 269 3HD1 ILE 34 3HD1 ILE 34 12.901 -3.205 6.563 270 H PHE 35 H PHE 35 7.374 -2.709 4.319 271 HA PHE 35 HA PHE 35 6.081 -4.169 6.518 272 1HB PHE 35 2HB PHE 35 5.168 -2.032 6.845 273 2HB PHE 35 1HB PHE 35 3.930 -3.126 6.269 274 HD1 PHE 35 HD1 PHE 35 3.696 -3.099 3.512 275 HD2 PHE 35 HD2 PHE 35 5.164 0.115 5.991 276 HE1 PHE 35 HE1 PHE 35 3.393 -1.561 1.692 277 HE2 PHE 35 HE2 PHE 35 4.689 1.719 4.132 278 HZ PHE 35 HZ PHE 35 3.805 0.896 1.974 279 H ALA 36 H ALA 36 4.261 -5.446 5.761 280 HA ALA 36 HA ALA 36 4.427 -6.200 2.877 281 1HB ALA 36 2HB ALA 36 3.534 -8.398 3.622 282 2HB ALA 36 1HB ALA 36 3.628 -7.858 5.301 283 3HB ALA 36 3HB ALA 36 5.117 -8.040 4.346 284 H PHE 37 H PHE 37 2.421 -6.634 1.877 285 HA PHE 37 HA PHE 37 0.034 -5.281 3.065 286 1HB PHE 37 1HB PHE 37 1.080 -5.632 0.223 287 2HB PHE 37 2HB PHE 37 -0.568 -5.185 0.535 288 HD1 PHE 37 HD1 PHE 37 0.245 -3.225 2.992 289 HD2 PHE 37 HD2 PHE 37 1.504 -3.669 -1.110 290 HE1 PHE 37 HE1 PHE 37 0.525 -0.823 2.826 291 HE2 PHE 37 HE2 PHE 37 1.968 -1.297 -1.230 292 HZ PHE 37 HZ PHE 37 1.411 0.212 0.745 293 H LYS 38 H LYS 38 -1.350 -6.924 3.913 294 HA LYS 38 HA LYS 38 -1.426 -9.472 2.382 295 1HB LYS 38 1HB LYS 38 -1.427 -9.667 4.784 296 2HB LYS 38 2HB LYS 38 -2.716 -8.475 4.955 297 1HG LYS 38 1HG LYS 38 -4.419 -9.926 4.381 298 2HG LYS 38 2HG LYS 38 -3.400 -10.855 3.272 299 1HD LYS 38 1HD LYS 38 -3.943 -12.272 5.116 300 2HD LYS 38 2HD LYS 38 -2.218 -11.884 5.185 301 1HE LYS 38 1HE LYS 38 -2.751 -10.085 6.883 302 2HE LYS 38 2HE LYS 38 -4.438 -10.627 6.857 303 1HZ LYS 38 1HZ LYS 38 -3.503 -12.877 7.502 304 2HZ LYS 38 2HZ LYS 38 -2.061 -12.138 7.739 305 3HZ LYS 38 3HZ LYS 38 -3.343 -11.686 8.642 306 H VAL 39 H VAL 39 -2.383 -9.020 0.421 307 HA VAL 39 HA VAL 39 -4.939 -7.537 0.362 308 HB VAL 39 HB VAL 39 -3.641 -8.999 -1.983 309 1HG1 VAL 39 1HG1 VAL 39 -5.431 -6.550 -1.762 310 2HG1 VAL 39 2HG1 VAL 39 -4.826 -7.239 -3.274 311 3HG1 VAL 39 3HG1 VAL 39 -5.940 -8.173 -2.255 312 1HG2 VAL 39 1HG2 VAL 39 -2.931 -6.174 -1.176 313 2HG2 VAL 39 2HG2 VAL 39 -1.826 -7.565 -1.196 314 3HG2 VAL 39 3HG2 VAL 39 -2.536 -6.981 -2.704 315 H LYS 40 H LYS 40 -6.706 -8.832 0.951 316 HA LYS 40 HA LYS 40 -6.767 -11.576 -0.207 317 1HB LYS 40 1HB LYS 40 -8.696 -11.926 1.455 318 2HB LYS 40 2HB LYS 40 -7.023 -12.051 1.938 319 1HG LYS 40 1HG LYS 40 -7.139 -9.809 3.039 320 2HG LYS 40 2HG LYS 40 -8.847 -9.723 2.560 321 1HD LYS 40 1HD LYS 40 -9.047 -12.052 3.817 322 2HD LYS 40 2HD LYS 40 -7.479 -11.624 4.496 323 1HE LYS 40 2HE LYS 40 -8.648 -9.353 5.144 324 2HE LYS 40 1HE LYS 40 -8.891 -10.807 6.126 325 1HZ LYS 40 1HZ LYS 40 -10.794 -10.088 3.980 326 2HZ LYS 40 2HZ LYS 40 -10.960 -11.189 5.179 327 3HZ LYS 40 3HZ LYS 40 -10.996 -9.603 5.537 328 H ASP 41 H ASP 41 -9.123 -12.123 -0.631 329 HA ASP 41 HA ASP 41 -10.685 -11.965 -2.278 330 1HB ASP 41 1HB ASP 41 -11.600 -10.505 -0.287 331 2HB ASP 41 2HB ASP 41 -11.286 -9.155 -1.325 332 H GLY 42 H GLY 42 -8.361 -11.618 -3.501 333 1HA GLY 42 1HA GLY 42 -8.293 -9.315 -5.277 334 2HA GLY 42 2HA GLY 42 -7.551 -10.907 -5.556 335 HA PRO 43 HA PRO 43 -11.459 -10.275 -8.318 336 1HB PRO 43 2HB PRO 43 -10.778 -9.642 -10.469 337 2HB PRO 43 1HB PRO 43 -9.244 -10.533 -10.354 338 1HG PRO 43 1HG PRO 43 -8.418 -8.347 -9.929 339 2HG PRO 43 2HG PRO 43 -9.909 -7.858 -9.104 340 1HD PRO 43 1HD PRO 43 -7.687 -9.617 -8.088 341 2HD PRO 43 2HD PRO 43 -8.633 -8.367 -7.225 342 H GLY 44 H GLY 44 -12.264 -12.291 -7.693 343 1HA GLY 44 1HA GLY 44 -12.647 -14.551 -8.648 344 2HA GLY 44 2HA GLY 44 -10.910 -14.802 -8.617 345 H GLY 45 H GLY 45 -10.411 -13.532 -6.031 346 1HA GLY 45 1HA GLY 45 -11.679 -13.461 -3.968 347 2HA GLY 45 2HA GLY 45 -11.952 -15.195 -4.112 348 H LYS 46 H LYS 46 -8.883 -14.915 -5.189 349 HA LYS 46 HA LYS 46 -7.735 -16.183 -2.900 350 1HB LYS 46 1HB LYS 46 -6.600 -14.955 -5.437 351 2HB LYS 46 2HB LYS 46 -5.589 -15.839 -4.334 352 1HG LYS 46 1HG LYS 46 -8.013 -17.175 -5.500 353 2HG LYS 46 2HG LYS 46 -6.519 -17.039 -6.418 354 1HD LYS 46 1HD LYS 46 -5.288 -18.284 -4.685 355 2HD LYS 46 2HD LYS 46 -6.779 -18.425 -3.710 356 1HE LYS 46 1HE LYS 46 -7.880 -19.618 -5.539 357 2HE LYS 46 2HE LYS 46 -6.493 -19.370 -6.600 358 1HZ LYS 46 1HZ LYS 46 -6.430 -21.012 -4.144 359 2HZ LYS 46 2HZ LYS 46 -6.676 -21.581 -5.655 360 3HZ LYS 46 3HZ LYS 46 -5.219 -20.891 -5.277 361 H GLU 47 H GLU 47 -5.303 -15.377 -2.491 362 HA GLU 47 HA GLU 47 -5.337 -12.574 -1.568 363 1HB GLU 47 1HB GLU 47 -4.243 -13.177 0.501 364 2HB GLU 47 2HB GLU 47 -5.809 -13.980 0.353 365 1HG GLU 47 1HG GLU 47 -4.644 -16.085 -0.330 366 2HG GLU 47 2HG GLU 47 -3.087 -15.283 -0.113 367 H ALA 48 H ALA 48 -3.264 -11.522 -1.521 368 HA ALA 48 HA ALA 48 -0.938 -12.659 -3.053 369 1HB ALA 48 1HB ALA 48 -2.362 -10.073 -3.673 370 2HB ALA 48 3HB ALA 48 -2.301 -11.533 -4.689 371 3HB ALA 48 2HB ALA 48 -0.812 -10.661 -4.320 372 H THR 49 H THR 49 1.041 -11.203 -2.457 373 HA THR 49 HA THR 49 0.447 -9.058 -0.618 374 HB THR 49 HB THR 49 2.252 -11.385 0.120 375 HG1 THR 49 HG1 THR 49 0.276 -9.801 1.373 376 1HG2 THR 49 1HG2 THR 49 2.326 -8.600 1.385 377 2HG2 THR 49 2HG2 THR 49 3.078 -10.067 2.052 378 3HG2 THR 49 3HG2 THR 49 3.660 -9.384 0.536 379 H TRP 50 H TRP 50 1.971 -7.429 -0.620 380 HA TRP 50 HA TRP 50 4.189 -7.512 -2.610 381 1HB TRP 50 1HB TRP 50 1.960 -5.527 -2.205 382 2HB TRP 50 2HB TRP 50 3.574 -4.844 -2.240 383 HD1 TRP 50 HD1 TRP 50 4.228 -4.046 -4.609 384 HE1 TRP 50 HE1 TRP 50 3.523 -4.615 -7.058 385 HE3 TRP 50 HE3 TRP 50 0.949 -7.757 -3.568 386 HZ2 TRP 50 HZ2 TRP 50 1.768 -6.444 -8.282 387 HZ3 TRP 50 HZ3 TRP 50 -0.340 -8.851 -5.357 388 HH2 TRP 50 HH2 TRP 50 -0.059 -8.171 -7.668 389 H VAL 51 H VAL 51 5.983 -6.209 -1.714 390 HA VAL 51 HA VAL 51 5.958 -5.822 1.234 391 HB VAL 51 HB VAL 51 8.282 -6.838 -0.457 392 1HG1 VAL 51 1HG1 VAL 51 7.891 -6.658 2.559 393 2HG1 VAL 51 2HG1 VAL 51 9.295 -7.381 1.749 394 3HG1 VAL 51 3HG1 VAL 51 8.973 -5.655 1.555 395 1HG2 VAL 51 1HG2 VAL 51 6.413 -8.502 1.280 396 2HG2 VAL 51 2HG2 VAL 51 6.728 -8.681 -0.457 397 3HG2 VAL 51 3HG2 VAL 51 8.002 -9.050 0.672 398 H VAL 52 H VAL 52 6.744 -3.698 1.763 399 HA VAL 52 HA VAL 52 7.901 -2.139 -0.526 400 HB VAL 52 HB VAL 52 5.957 -1.133 1.541 401 1HG1 VAL 52 1HG1 VAL 52 7.247 0.314 -0.807 402 2HG1 VAL 52 2HG1 VAL 52 5.982 0.976 0.251 403 3HG1 VAL 52 3HG1 VAL 52 7.568 0.580 0.912 404 1HG2 VAL 52 1HG2 VAL 52 5.595 -1.594 -1.455 405 2HG2 VAL 52 2HG2 VAL 52 4.755 -2.461 -0.152 406 3HG2 VAL 52 3HG2 VAL 52 4.437 -0.739 -0.417 407 H ASP 53 H ASP 53 9.959 -1.787 -0.058 408 HA ASP 53 HA ASP 53 10.916 -1.980 2.702 409 1HB ASP 53 1HB ASP 53 11.966 -3.307 0.809 410 2HB ASP 53 2HB ASP 53 12.477 -1.803 0.096 411 H VAL 54 H VAL 54 9.908 0.098 3.297 412 HA VAL 54 HA VAL 54 11.346 2.399 2.062 413 HB VAL 54 HB VAL 54 9.451 3.709 3.360 414 1HG1 VAL 54 1HG1 VAL 54 9.070 2.213 0.758 415 2HG1 VAL 54 2HG1 VAL 54 8.005 3.528 1.331 416 3HG1 VAL 54 3HG1 VAL 54 9.714 3.842 1.013 417 1HG2 VAL 54 1HG2 VAL 54 8.109 0.971 3.079 418 2HG2 VAL 54 2HG2 VAL 54 8.445 1.906 4.550 419 3HG2 VAL 54 3HG2 VAL 54 7.282 2.488 3.348 420 H LYS 55 H LYS 55 12.951 0.962 3.303 421 HA LYS 55 HA LYS 55 13.629 2.580 5.683 422 1HB LYS 55 1HB LYS 55 12.375 0.554 6.372 423 2HB LYS 55 2HB LYS 55 13.596 -0.480 5.709 424 1HG LYS 55 1HG LYS 55 14.451 1.675 7.675 425 2HG LYS 55 2HG LYS 55 13.551 0.293 8.312 426 1HD LYS 55 1HD LYS 55 15.105 -1.283 7.392 427 2HD LYS 55 2HD LYS 55 16.019 0.014 6.579 428 1HE LYS 55 1HE LYS 55 16.413 0.999 8.905 429 2HE LYS 55 2HE LYS 55 15.776 -0.520 9.558 430 1HZ LYS 55 1HZ LYS 55 17.531 -1.651 8.231 431 2HZ LYS 55 2HZ LYS 55 18.127 -0.177 7.799 432 3HZ LYS 55 3HZ LYS 55 18.147 -0.636 9.369 433 H ASN 56 H ASN 56 14.572 -0.140 3.580 434 HA ASN 56 HA ASN 56 17.416 0.398 4.245 435 1HB ASN 56 1HB ASN 56 15.834 -1.889 3.107 436 2HB ASN 56 2HB ASN 56 17.465 -1.754 2.622 437 2HD2 ASN 56 1HD2 ASN 56 15.342 -2.713 5.067 438 1HD2 ASN 56 2HD2 ASN 56 16.509 -3.031 6.358 439 H GLY 57 H GLY 57 18.940 1.142 2.810 440 1HA GLY 57 1HA GLY 57 19.863 2.063 0.999 441 2HA GLY 57 2HA GLY 57 18.824 1.030 -0.020 442 H LYS 58 H LYS 58 18.125 2.569 -1.478 443 HA LYS 58 HA LYS 58 16.718 4.976 -0.452 444 1HB LYS 58 1HB LYS 58 17.661 4.024 -3.160 445 2HB LYS 58 2HB LYS 58 16.123 4.846 -3.134 446 1HG LYS 58 1HG LYS 58 17.260 6.566 -1.642 447 2HG LYS 58 2HG LYS 58 18.773 5.901 -2.206 448 1HD LYS 58 1HD LYS 58 16.545 7.087 -3.947 449 2HD LYS 58 2HD LYS 58 18.043 7.911 -3.522 450 1HE LYS 58 1HE LYS 58 19.389 6.409 -4.833 451 2HE LYS 58 2HE LYS 58 18.063 5.244 -4.985 452 1HZ LYS 58 1HZ LYS 58 18.000 7.941 -6.196 453 2HZ LYS 58 2HZ LYS 58 18.309 6.500 -6.997 454 3HZ LYS 58 3HZ LYS 58 16.863 6.751 -6.301 455 H GLY 59 H GLY 59 15.890 1.741 -0.364 456 1HA GLY 59 1HA GLY 59 14.012 0.725 -0.206 457 2HA GLY 59 2HA GLY 59 13.138 2.235 -0.462 458 H SER 60 H SER 60 12.410 -0.270 -1.446 459 HA SER 60 HA SER 60 11.668 0.199 -4.081 460 1HB SER 60 1HB SER 60 13.871 -1.888 -3.611 461 2HB SER 60 2HB SER 60 12.727 -2.119 -4.900 462 HG SER 60 HG SER 60 13.369 -0.104 -5.838 463 H VAL 61 H VAL 61 10.503 -1.853 -4.894 464 HA VAL 61 HA VAL 61 8.764 -2.860 -2.700 465 HB VAL 61 HB VAL 61 8.109 -1.946 -5.500 466 1HG1 VAL 61 1HG1 VAL 61 6.261 -3.048 -3.338 467 2HG1 VAL 61 2HG1 VAL 61 5.715 -2.194 -4.800 468 3HG1 VAL 61 3HG1 VAL 61 6.580 -3.709 -4.968 469 1HG2 VAL 61 1HG2 VAL 61 7.489 -0.715 -2.796 470 2HG2 VAL 61 2HG2 VAL 61 8.489 -0.019 -4.093 471 3HG2 VAL 61 3HG2 VAL 61 6.746 -0.207 -4.317 472 H LEU 62 H LEU 62 9.690 -4.852 -2.491 473 HA LEU 62 HA LEU 62 10.822 -6.404 -4.606 474 1HB LEU 62 1HB LEU 62 10.136 -6.948 -1.684 475 2HB LEU 62 2HB LEU 62 11.140 -7.994 -2.671 476 HG LEU 62 HG LEU 62 11.951 -5.095 -2.415 477 1HD1 LEU 62 1HD1 LEU 62 11.480 -5.900 -0.043 478 2HD1 LEU 62 2HD1 LEU 62 12.805 -7.044 -0.259 479 3HD1 LEU 62 3HD1 LEU 62 13.090 -5.297 -0.407 480 1HD2 LEU 62 1HD2 LEU 62 13.449 -7.722 -2.640 481 2HD2 LEU 62 2HD2 LEU 62 13.144 -6.538 -3.927 482 3HD2 LEU 62 3HD2 LEU 62 14.187 -6.106 -2.557 483 HA PRO 63 HA PRO 63 6.466 -7.482 -5.453 484 1HB PRO 63 1HB PRO 63 6.633 -8.683 -7.870 485 2HB PRO 63 2HB PRO 63 6.881 -6.927 -7.638 486 1HG PRO 63 2HG PRO 63 8.954 -7.566 -8.710 487 2HG PRO 63 1HG PRO 63 9.012 -9.099 -7.800 488 1HD PRO 63 1HD PRO 63 10.414 -7.785 -6.423 489 2HD PRO 63 2HD PRO 63 9.525 -6.303 -6.831 490 H ASN 64 H ASN 64 5.229 -9.111 -4.762 491 HA ASN 64 HA ASN 64 4.669 -10.935 -3.631 492 1HB ASN 64 2HB ASN 64 4.363 -12.775 -4.941 493 2HB ASN 64 1HB ASN 64 5.974 -12.656 -5.661 494 2HD2 ASN 64 1HD2 ASN 64 5.491 -12.809 -7.756 495 1HD2 ASN 64 2HD2 ASN 64 4.592 -11.575 -8.640 496 H SER 65 H SER 65 7.398 -9.912 -2.926 497 HA SER 65 HA SER 65 9.169 -12.132 -3.048 498 1HB SER 65 1HB SER 65 9.514 -9.540 -3.074 499 2HB SER 65 2HB SER 65 9.726 -9.732 -1.326 500 HG SER 65 HG SER 65 11.337 -10.308 -3.452 501 H ASP 66 H ASP 66 10.090 -13.366 -1.513 502 HA ASP 66 HA ASP 66 8.297 -14.224 0.600 503 1HB ASP 66 1HB ASP 66 9.758 -15.729 -0.866 504 2HB ASP 66 2HB ASP 66 11.139 -15.120 0.045 505 H LYS 67 H LYS 67 10.880 -11.786 0.376 506 HA LYS 67 HA LYS 67 11.979 -12.319 2.950 507 1HB LYS 67 1HB LYS 67 11.837 -9.809 1.269 508 2HB LYS 67 2HB LYS 67 12.316 -9.710 2.963 509 1HG LYS 67 1HG LYS 67 13.999 -11.577 2.541 510 2HG LYS 67 2HG LYS 67 13.718 -11.339 0.808 511 1HD LYS 67 1HD LYS 67 14.458 -8.973 1.033 512 2HD LYS 67 2HD LYS 67 14.565 -9.184 2.796 513 1HE LYS 67 1HE LYS 67 16.219 -11.059 2.372 514 2HE LYS 67 2HE LYS 67 16.272 -10.544 0.675 515 1HZ LYS 67 1HZ LYS 67 16.832 -8.768 2.966 516 2HZ LYS 67 2HZ LYS 67 18.011 -9.548 2.108 517 3HZ LYS 67 3HZ LYS 67 17.091 -8.439 1.359 518 H LYS 68 H LYS 68 11.543 -11.650 4.993 519 HA LYS 68 HA LYS 68 8.871 -11.282 5.796 520 1HB LYS 68 1HB LYS 68 9.810 -11.037 8.007 521 2HB LYS 68 2HB LYS 68 10.860 -12.155 7.142 522 1HG LYS 68 1HG LYS 68 12.282 -10.040 6.552 523 2HG LYS 68 2HG LYS 68 11.387 -9.221 7.826 524 1HD LYS 68 1HD LYS 68 12.992 -11.775 8.197 525 2HD LYS 68 2HD LYS 68 13.598 -10.147 8.523 526 1HE LYS 68 1HE LYS 68 11.864 -9.794 10.245 527 2HE LYS 68 2HE LYS 68 11.179 -11.397 9.891 528 1HZ LYS 68 1HZ LYS 68 13.279 -12.373 10.513 529 2HZ LYS 68 2HZ LYS 68 13.909 -10.915 10.931 530 3HZ LYS 68 3HZ LYS 68 12.667 -11.538 11.786 531 H ALA 69 H ALA 69 8.739 -9.343 7.522 532 HA ALA 69 HA ALA 69 9.355 -6.748 6.337 533 1HB ALA 69 3HB ALA 69 7.155 -7.282 5.343 534 2HB ALA 69 2HB ALA 69 7.022 -5.985 6.546 535 3HB ALA 69 1HB ALA 69 6.493 -7.625 6.959 536 H ASP 70 H ASP 70 8.713 -4.989 7.964 537 HA ASP 70 HA ASP 70 9.425 -5.834 10.663 538 1HB ASP 70 1HB ASP 70 9.679 -3.451 9.088 539 2HB ASP 70 2HB ASP 70 8.589 -3.044 10.409 540 H CYS 71 H CYS 71 6.605 -4.829 8.847 541 HA CYS 71 HA CYS 71 4.772 -5.783 10.891 542 1HB CYS 71 1HB CYS 71 4.819 -2.857 10.003 543 2HB CYS 71 2HB CYS 71 3.436 -3.640 10.792 544 H THR 72 H THR 72 2.376 -4.955 9.782 545 HA THR 72 HA THR 72 2.503 -5.827 6.933 546 HB THR 72 HB THR 72 0.544 -6.978 8.939 547 HG1 THR 72 HG1 THR 72 2.869 -8.384 8.201 548 1HG2 THR 72 1HG2 THR 72 1.496 -7.838 6.173 549 2HG2 THR 72 2HG2 THR 72 0.621 -8.934 7.278 550 3HG2 THR 72 3HG2 THR 72 -0.151 -7.492 6.699 551 H ILE 73 H ILE 73 -0.124 -5.737 6.227 552 HA ILE 73 HA ILE 73 -1.655 -3.991 7.905 553 HB ILE 73 HB ILE 73 -0.427 -2.588 5.947 554 1HG1 ILE 73 1HG1 ILE 73 -3.287 -2.297 6.925 555 2HG1 ILE 73 2HG1 ILE 73 -1.793 -1.636 7.601 556 1HG2 ILE 73 1HG2 ILE 73 -1.384 -4.169 4.212 557 2HG2 ILE 73 2HG2 ILE 73 -2.976 -3.471 4.526 558 3HG2 ILE 73 3HG2 ILE 73 -1.673 -2.441 3.914 559 1HD1 ILE 73 1HD1 ILE 73 -1.483 -0.240 5.562 560 2HD1 ILE 73 2HD1 ILE 73 -3.067 -0.796 4.968 561 3HD1 ILE 73 3HD1 ILE 73 -2.958 0.150 6.458 562 H THR 74 H THR 74 -4.083 -4.299 7.228 563 HA THR 74 HA THR 74 -4.508 -6.425 5.159 564 HB THR 74 HB THR 74 -6.042 -5.981 7.734 565 HG1 THR 74 HG1 THR 74 -4.987 -7.801 8.499 566 1HG2 THR 74 1HG2 THR 74 -6.066 -8.147 5.538 567 2HG2 THR 74 2HG2 THR 74 -6.972 -8.292 7.050 568 3HG2 THR 74 3HG2 THR 74 -7.373 -6.998 5.899 569 H MET 75 H MET 75 -5.457 -5.644 3.547 570 HA MET 75 HA MET 75 -7.991 -4.594 4.006 571 1HB MET 75 1HB MET 75 -7.417 -2.852 1.954 572 2HB MET 75 2HB MET 75 -7.763 -2.440 3.626 573 1HG MET 75 1HG MET 75 -5.326 -2.367 4.106 574 2HG MET 75 2HG MET 75 -5.013 -2.778 2.429 575 1HE MET 75 1HE MET 75 -5.990 -0.082 5.031 576 2HE MET 75 2HE MET 75 -6.590 1.271 4.041 577 3HE MET 75 3HE MET 75 -7.558 -0.207 4.194 578 H ALA 76 H ALA 76 -9.141 -5.571 2.629 579 HA ALA 76 HA ALA 76 -8.309 -7.511 0.712 580 1HB ALA 76 1HB ALA 76 -10.619 -7.471 1.598 581 2HB ALA 76 2HB ALA 76 -10.925 -5.926 0.739 582 3HB ALA 76 3HB ALA 76 -10.636 -7.409 -0.174 583 H ASP 77 H ASP 77 -8.561 -7.403 -1.736 584 HA ASP 77 HA ASP 77 -7.040 -5.436 -3.002 585 1HB ASP 77 1HB ASP 77 -7.775 -7.642 -3.937 586 2HB ASP 77 2HB ASP 77 -9.351 -6.982 -4.244 587 H SER 78 H SER 78 -10.479 -5.763 -3.014 588 HA SER 78 HA SER 78 -11.298 -3.458 -4.414 589 1HB SER 78 1HB SER 78 -12.620 -5.499 -3.224 590 2HB SER 78 2HB SER 78 -12.905 -4.285 -1.986 591 HG SER 78 HG SER 78 -14.590 -4.272 -3.435 592 H ASP 79 H ASP 79 -10.162 -3.769 -1.182 593 HA ASP 79 HA ASP 79 -11.195 -1.194 -0.163 594 1HB ASP 79 1HB ASP 79 -11.314 -3.539 0.951 595 2HB ASP 79 2HB ASP 79 -9.629 -3.305 1.365 596 H PHE 80 H PHE 80 -8.064 -2.800 -0.899 597 HA PHE 80 HA PHE 80 -6.325 -0.629 -0.110 598 1HB PHE 80 1HB PHE 80 -6.125 -3.032 -1.934 599 2HB PHE 80 2HB PHE 80 -5.005 -1.723 -2.199 600 HD1 PHE 80 HD1 PHE 80 -3.718 -0.816 -0.017 601 HD2 PHE 80 HD2 PHE 80 -5.398 -4.743 -0.507 602 HE1 PHE 80 HE1 PHE 80 -2.041 -1.725 1.554 603 HE2 PHE 80 HE2 PHE 80 -3.733 -5.653 1.083 604 HZ PHE 80 HZ PHE 80 -2.037 -4.187 2.095 605 H LEU 81 H LEU 81 -7.780 -1.646 -3.247 606 HA LEU 81 HA LEU 81 -6.764 0.470 -4.790 607 1HB LEU 81 1HB LEU 81 -8.209 -1.757 -5.346 608 2HB LEU 81 2HB LEU 81 -9.500 -0.599 -5.411 609 HG LEU 81 HG LEU 81 -7.691 0.760 -6.949 610 1HD1 LEU 81 1HD1 LEU 81 -5.990 -1.111 -6.838 611 2HD1 LEU 81 2HD1 LEU 81 -7.170 -2.175 -7.604 612 3HD1 LEU 81 3HD1 LEU 81 -6.545 -0.773 -8.485 613 1HD2 LEU 81 1HD2 LEU 81 -9.509 -1.456 -7.973 614 2HD2 LEU 81 2HD2 LEU 81 -9.966 0.216 -7.605 615 3HD2 LEU 81 3HD2 LEU 81 -8.842 -0.106 -8.928 616 H ALA 82 H ALA 82 -9.585 0.262 -2.790 617 HA ALA 82 HA ALA 82 -11.211 2.341 -3.490 618 1HB ALA 82 3HB ALA 82 -11.873 2.669 -1.153 619 2HB ALA 82 2HB ALA 82 -10.420 1.882 -0.589 620 3HB ALA 82 1HB ALA 82 -11.652 0.936 -1.471 621 H LEU 83 H LEU 83 -8.138 2.814 -1.744 622 HA LEU 83 HA LEU 83 -8.691 5.452 -0.889 623 1HB LEU 83 1HB LEU 83 -6.066 4.026 -1.292 624 2HB LEU 83 2HB LEU 83 -6.133 5.729 -0.872 625 HG LEU 83 HG LEU 83 -7.488 5.178 1.157 626 1HD1 LEU 83 1HD1 LEU 83 -6.713 2.302 0.498 627 2HD1 LEU 83 2HD1 LEU 83 -7.359 2.865 2.049 628 3HD1 LEU 83 3HD1 LEU 83 -8.360 2.958 0.605 629 1HD2 LEU 83 1HD2 LEU 83 -5.072 5.634 1.270 630 2HD2 LEU 83 2HD2 LEU 83 -5.554 4.417 2.469 631 3HD2 LEU 83 3HD2 LEU 83 -4.727 3.915 0.985 632 H MET 84 H MET 84 -6.328 4.689 -3.438 633 HA MET 84 HA MET 84 -6.549 7.370 -4.517 634 1HB MET 84 1HB MET 84 -4.844 6.486 -6.050 635 2HB MET 84 2HB MET 84 -4.440 6.289 -4.345 636 1HG MET 84 1HG MET 84 -5.766 3.923 -5.523 637 2HG MET 84 2HG MET 84 -4.216 4.305 -6.234 638 1HE MET 84 1HE MET 84 -2.048 4.998 -4.491 639 2HE MET 84 2HE MET 84 -1.544 3.518 -3.656 640 3HE MET 84 3HE MET 84 -1.977 3.473 -5.361 641 H THR 85 H THR 85 -9.102 6.388 -4.789 642 HA THR 85 HA THR 85 -9.397 6.435 -7.729 643 HB THR 85 HB THR 85 -10.962 4.472 -7.648 644 HG1 THR 85 HG1 THR 85 -10.063 3.067 -5.762 645 1HG2 THR 85 1HG2 THR 85 -8.612 4.193 -8.501 646 2HG2 THR 85 2HG2 THR 85 -8.136 3.589 -6.920 647 3HG2 THR 85 3HG2 THR 85 -9.347 2.712 -7.863 648 H GLY 86 H GLY 86 -10.936 6.503 -4.495 649 1HA GLY 86 1HA GLY 86 -11.956 8.782 -4.258 650 2HA GLY 86 2HA GLY 86 -12.963 8.389 -5.641 651 H LYS 87 H LYS 87 -12.939 5.471 -4.080 652 HA LYS 87 HA LYS 87 -15.306 6.027 -2.416 653 1HB LYS 87 1HB LYS 87 -14.763 3.781 -3.541 654 2HB LYS 87 2HB LYS 87 -13.509 3.576 -2.334 655 1HG LYS 87 1HG LYS 87 -15.196 2.505 -1.217 656 2HG LYS 87 2HG LYS 87 -15.544 4.120 -0.645 657 1HD LYS 87 1HD LYS 87 -17.635 3.215 -1.325 658 2HD LYS 87 2HD LYS 87 -17.189 4.365 -2.577 659 1HE LYS 87 1HE LYS 87 -18.019 2.386 -3.682 660 2HE LYS 87 2HE LYS 87 -16.276 2.444 -3.950 661 1HZ LYS 87 1HZ LYS 87 -16.126 0.828 -2.002 662 2HZ LYS 87 2HZ LYS 87 -17.760 0.680 -2.100 663 3HZ LYS 87 3HZ LYS 87 -16.849 0.224 -3.344 664 H MET 88 H MET 88 -11.883 5.241 -1.912 665 HA MET 88 HA MET 88 -10.549 5.146 -0.180 666 1HB MET 88 1HB MET 88 -11.793 7.771 0.072 667 2HB MET 88 2HB MET 88 -11.388 7.115 1.653 668 1HG MET 88 1HG MET 88 -9.084 6.688 0.897 669 2HG MET 88 2HG MET 88 -9.480 7.385 -0.677 670 1HE MET 88 1HE MET 88 -9.253 9.714 -1.332 671 2HE MET 88 2HE MET 88 -10.813 9.997 -0.518 672 3HE MET 88 3HE MET 88 -9.447 11.100 -0.242 673 H ASN 89 H ASN 89 -10.363 4.876 2.211 674 HA ASN 89 HA ASN 89 -12.312 4.715 4.009 675 1HB ASN 89 1HB ASN 89 -12.238 2.143 2.498 676 2HB ASN 89 2HB ASN 89 -12.090 1.911 4.217 677 2HD2 ASN 89 1HD2 ASN 89 -14.410 1.241 2.397 678 1HD2 ASN 89 2HD2 ASN 89 -15.750 2.044 3.184 679 HA PRO 90 HA PRO 90 -7.738 4.128 5.032 680 1HB PRO 90 1HB PRO 90 -7.063 6.619 5.902 681 2HB PRO 90 2HB PRO 90 -7.073 6.204 4.157 682 1HG PRO 90 1HG PRO 90 -9.267 7.549 5.763 683 2HG PRO 90 2HG PRO 90 -8.565 8.093 4.204 684 1HD PRO 90 1HD PRO 90 -10.868 6.641 4.398 685 2HD PRO 90 2HD PRO 90 -9.724 6.422 3.034 686 H GLN 91 H GLN 91 -7.039 3.797 7.180 687 HA GLN 91 HA GLN 91 -7.242 3.146 9.276 688 1HB GLN 91 1HB GLN 91 -7.938 5.879 9.318 689 2HB GLN 91 2HB GLN 91 -9.140 5.103 10.329 690 1HG GLN 91 2HG GLN 91 -7.357 4.087 11.697 691 2HG GLN 91 1HG GLN 91 -7.225 5.839 11.651 692 2HE2 GLN 91 1HE2 GLN 91 -5.023 4.613 12.493 693 1HE2 GLN 91 2HE2 GLN 91 -3.752 4.608 11.258 694 H SER 92 H SER 92 -10.330 3.529 7.679 695 HA SER 92 HA SER 92 -12.102 2.245 9.259 696 1HB SER 92 1HB SER 92 -12.315 3.265 6.901 697 2HB SER 92 2HB SER 92 -11.848 1.659 6.311 698 HG SER 92 HG SER 92 -14.150 2.474 7.709 699 H ALA 93 H ALA 93 -9.309 0.661 7.666 700 HA ALA 93 HA ALA 93 -10.253 -1.919 7.670 701 1HB ALA 93 3HB ALA 93 -8.219 -1.179 6.461 702 2HB ALA 93 2HB ALA 93 -7.786 -2.482 7.567 703 3HB ALA 93 1HB ALA 93 -7.399 -0.790 7.958 704 H PHE 94 H PHE 94 -9.224 0.014 10.465 705 HA PHE 94 HA PHE 94 -9.331 -2.400 12.199 706 1HB PHE 94 2HB PHE 94 -7.724 -0.434 12.772 707 2HB PHE 94 1HB PHE 94 -8.639 -1.252 13.993 708 HD1 PHE 94 HD1 PHE 94 -10.417 -0.298 15.273 709 HD2 PHE 94 HD2 PHE 94 -8.210 2.010 12.377 710 HE1 PHE 94 HE1 PHE 94 -11.352 1.786 16.218 711 HE2 PHE 94 HE2 PHE 94 -9.193 4.100 13.311 712 HZ PHE 94 HZ PHE 94 -10.753 3.986 15.232 713 H PHE 95 H PHE 95 -10.973 0.695 11.633 714 HA PHE 95 HA PHE 95 -12.789 0.613 13.622 715 1HB PHE 95 1HB PHE 95 -12.194 2.516 12.029 716 2HB PHE 95 2HB PHE 95 -13.388 1.859 10.916 717 HD1 PHE 95 HD1 PHE 95 -15.841 1.513 11.849 718 HD2 PHE 95 HD2 PHE 95 -12.866 4.088 13.643 719 HE1 PHE 95 HE1 PHE 95 -17.607 2.702 13.107 720 HE2 PHE 95 HE2 PHE 95 -14.678 5.307 14.815 721 HZ PHE 95 HZ PHE 95 -17.032 4.598 14.581 722 H GLN 96 H GLN 96 -13.415 -0.460 10.272 723 HA GLN 96 HA GLN 96 -16.118 -1.400 10.782 724 1HB GLN 96 1HB GLN 96 -14.101 -1.465 8.470 725 2HB GLN 96 2HB GLN 96 -15.571 -2.434 8.453 726 1HG GLN 96 1HG GLN 96 -16.786 -0.211 9.166 727 2HG GLN 96 2HG GLN 96 -15.377 0.579 8.511 728 2HE2 GLN 96 1HE2 GLN 96 -15.040 0.448 6.269 729 1HE2 GLN 96 2HE2 GLN 96 -16.387 0.113 5.187 730 H GLY 97 H GLY 97 -13.231 -3.259 9.682 731 1HA GLY 97 1HA GLY 97 -12.617 -4.851 11.748 732 2HA GLY 97 2HA GLY 97 -14.166 -5.570 11.288 733 H LYS 98 H LYS 98 -11.190 -4.389 9.533 734 HA LYS 98 HA LYS 98 -11.063 -7.041 8.193 735 1HB LYS 98 1HB LYS 98 -9.727 -4.399 7.448 736 2HB LYS 98 2HB LYS 98 -9.428 -5.970 6.698 737 1HG LYS 98 1HG LYS 98 -12.073 -6.007 6.488 738 2HG LYS 98 2HG LYS 98 -11.923 -4.264 6.561 739 1HD LYS 98 1HD LYS 98 -10.658 -4.176 4.520 740 2HD LYS 98 2HD LYS 98 -10.252 -5.891 4.622 741 1HE LYS 98 1HE LYS 98 -11.829 -5.767 2.881 742 2HE LYS 98 2HE LYS 98 -12.671 -6.478 4.263 743 1HZ LYS 98 1HZ LYS 98 -12.898 -3.644 3.414 744 2HZ LYS 98 2HZ LYS 98 -13.986 -4.851 3.113 745 3HZ LYS 98 3HZ LYS 98 -13.735 -4.374 4.642 746 H LEU 99 H LEU 99 -9.884 -5.344 10.853 747 HA LEU 99 HA LEU 99 -8.160 -5.392 12.196 748 1HB LEU 99 1HB LEU 99 -8.756 -7.683 12.657 749 2HB LEU 99 2HB LEU 99 -7.801 -8.267 11.294 750 HG LEU 99 HG LEU 99 -5.715 -7.609 12.353 751 1HD1 LEU 99 1HD1 LEU 99 -7.416 -6.316 14.510 752 2HD1 LEU 99 2HD1 LEU 99 -5.664 -6.632 14.648 753 3HD1 LEU 99 3HD1 LEU 99 -6.252 -5.540 13.414 754 1HD2 LEU 99 1HD2 LEU 99 -6.710 -9.754 13.018 755 2HD2 LEU 99 2HD2 LEU 99 -5.714 -9.036 14.298 756 3HD2 LEU 99 3HD2 LEU 99 -7.484 -8.956 14.408 757 H LYS 100 H LYS 100 -7.209 -3.754 10.964 758 HA LYS 100 HA LYS 100 -5.244 -4.350 8.929 759 1HB LYS 100 2HB LYS 100 -6.645 -2.288 9.314 760 2HB LYS 100 1HB LYS 100 -5.049 -1.977 8.748 761 1HG LYS 100 1HG LYS 100 -6.104 -1.764 11.622 762 2HG LYS 100 2HG LYS 100 -4.449 -1.380 11.164 763 1HD LYS 100 1HD LYS 100 -6.692 0.136 9.822 764 2HD LYS 100 2HD LYS 100 -6.302 0.483 11.486 765 1HE LYS 100 1HE LYS 100 -5.252 2.044 9.949 766 2HE LYS 100 2HE LYS 100 -4.159 1.256 11.069 767 1HZ LYS 100 1HZ LYS 100 -4.473 0.286 8.311 768 2HZ LYS 100 2HZ LYS 100 -3.506 1.529 8.656 769 3HZ LYS 100 3HZ LYS 100 -3.182 0.054 9.349 770 H ILE 101 H ILE 101 -2.976 -3.231 9.416 771 HA ILE 101 HA ILE 101 -2.081 -3.644 12.151 772 HB ILE 101 HB ILE 101 -0.841 -4.913 9.691 773 1HG1 ILE 101 1HG1 ILE 101 -0.603 -6.774 11.648 774 2HG1 ILE 101 2HG1 ILE 101 -2.022 -5.946 12.246 775 1HG2 ILE 101 1HG2 ILE 101 0.580 -4.510 12.328 776 2HG2 ILE 101 2HG2 ILE 101 1.121 -5.508 10.978 777 3HG2 ILE 101 3HG2 ILE 101 1.006 -3.766 10.765 778 1HD1 ILE 101 1HD1 ILE 101 -1.679 -7.179 9.463 779 2HD1 ILE 101 2HD1 ILE 101 -2.550 -7.901 10.825 780 3HD1 ILE 101 3HD1 ILE 101 -3.169 -6.429 10.065 781 H THR 102 H THR 102 0.033 -2.443 12.291 782 HA THR 102 HA THR 102 0.473 -0.053 10.730 783 HB THR 102 HB THR 102 0.121 1.340 12.940 784 HG1 THR 102 HG1 THR 102 -0.617 -0.237 14.361 785 1HG2 THR 102 1HG2 THR 102 -1.099 1.577 10.733 786 2HG2 THR 102 2HG2 THR 102 -2.342 0.493 11.413 787 3HG2 THR 102 3HG2 THR 102 -2.009 2.052 12.163 788 H GLY 103 H GLY 103 1.754 0.854 13.533 789 1HA GLY 103 1HA GLY 103 3.519 -0.102 14.866 790 2HA GLY 103 2HA GLY 103 4.006 -1.117 13.519 791 H ASN 104 H ASN 104 4.297 0.495 11.363 792 HA ASN 104 HA ASN 104 6.591 2.100 11.894 793 1HB ASN 104 1HB ASN 104 4.713 1.936 9.498 794 2HB ASN 104 2HB ASN 104 6.082 3.033 9.568 795 2HD2 ASN 104 1HD2 ASN 104 5.198 -0.263 8.990 796 1HD2 ASN 104 2HD2 ASN 104 6.846 -0.811 8.654 797 H MET 105 H MET 105 3.172 2.916 11.827 798 HA MET 105 HA MET 105 1.994 4.834 11.922 799 1HB MET 105 1HB MET 105 3.899 5.298 13.869 800 2HB MET 105 2HB MET 105 4.165 6.660 12.799 801 1HG MET 105 1HG MET 105 2.638 7.414 14.380 802 2HG MET 105 2HG MET 105 1.616 7.071 12.983 803 1HE MET 105 1HE MET 105 -0.365 7.392 14.825 804 2HE MET 105 2HE MET 105 -0.524 6.374 16.274 805 3HE MET 105 3HE MET 105 0.815 7.536 16.144 806 H GLY 106 H GLY 106 2.813 7.541 11.126 807 1HA GLY 106 1HA GLY 106 3.480 8.772 9.410 808 2HA GLY 106 2HA GLY 106 4.449 7.421 8.821 809 H LEU 107 H LEU 107 2.617 5.531 8.182 810 HA LEU 107 HA LEU 107 1.999 6.104 5.601 811 1HB LEU 107 2HB LEU 107 2.092 3.828 6.345 812 2HB LEU 107 1HB LEU 107 0.645 4.152 5.422 813 HG LEU 107 HG LEU 107 -0.672 4.159 7.618 814 1HD1 LEU 107 1HD1 LEU 107 -0.698 2.228 6.100 815 2HD1 LEU 107 2HD1 LEU 107 0.739 1.579 6.920 816 3HD1 LEU 107 3HD1 LEU 107 -0.809 1.751 7.784 817 1HD2 LEU 107 1HD2 LEU 107 1.979 3.087 8.659 818 2HD2 LEU 107 2HD2 LEU 107 1.075 4.495 9.257 819 3HD2 LEU 107 3HD2 LEU 107 0.418 2.880 9.487 820 H ALA 108 H ALA 108 -0.577 6.046 8.112 821 HA ALA 108 HA ALA 108 -2.513 7.014 6.213 822 1HB ALA 108 3HB ALA 108 -4.076 6.727 8.029 823 2HB ALA 108 2HB ALA 108 -2.781 6.700 9.222 824 3HB ALA 108 1HB ALA 108 -2.951 5.347 8.070 825 H MET 109 H MET 109 -0.176 8.738 7.872 826 HA MET 109 HA MET 109 -1.896 11.008 8.586 827 1HB MET 109 1HB MET 109 1.113 10.556 8.751 828 2HB MET 109 2HB MET 109 0.297 12.051 9.203 829 1HG MET 109 1HG MET 109 0.605 10.803 11.211 830 2HG MET 109 2HG MET 109 -1.107 10.791 10.819 831 1HE MET 109 1HE MET 109 -0.810 9.083 12.966 832 2HE MET 109 2HE MET 109 -2.214 8.796 11.922 833 3HE MET 109 3HE MET 109 -1.245 7.424 12.508 834 H LYS 110 H LYS 110 0.671 10.227 6.160 835 HA LYS 110 HA LYS 110 0.120 12.700 4.725 836 1HB LYS 110 1HB LYS 110 2.405 11.575 4.857 837 2HB LYS 110 2HB LYS 110 1.800 10.336 3.765 838 1HG LYS 110 2HG LYS 110 1.262 12.206 2.112 839 2HG LYS 110 1HG LYS 110 2.971 11.906 2.422 840 1HD LYS 110 1HD LYS 110 1.403 14.104 3.832 841 2HD LYS 110 2HD LYS 110 3.147 13.811 3.895 842 1HE LYS 110 1HE LYS 110 3.228 14.269 1.410 843 2HE LYS 110 2HE LYS 110 1.496 14.652 1.462 844 1HZ LYS 110 1HZ LYS 110 2.045 16.426 3.062 845 2HZ LYS 110 2HZ LYS 110 3.646 16.074 2.905 846 3HZ LYS 110 3HZ LYS 110 2.812 16.635 1.623 847 H LEU 111 H LEU 111 -0.047 9.372 3.643 848 HA LEU 111 HA LEU 111 -0.733 8.490 1.732 849 1HB LEU 111 2HB LEU 111 -2.410 7.740 3.302 850 2HB LEU 111 1HB LEU 111 -3.022 7.848 1.676 851 HG LEU 111 HG LEU 111 -3.877 10.277 2.621 852 1HD1 LEU 111 1HD1 LEU 111 -5.273 7.602 3.040 853 2HD1 LEU 111 2HD1 LEU 111 -6.056 9.198 3.004 854 3HD1 LEU 111 3HD1 LEU 111 -5.273 8.563 1.546 855 1HD2 LEU 111 1HD2 LEU 111 -2.979 9.901 4.904 856 2HD2 LEU 111 2HD2 LEU 111 -4.733 10.001 4.896 857 3HD2 LEU 111 3HD2 LEU 111 -3.959 8.419 5.032 858 H GLN 112 H GLN 112 0.036 11.080 0.854 859 HA GLN 112 HA GLN 112 -2.314 11.978 -0.773 860 1HB GLN 112 1HB GLN 112 -0.194 13.309 0.809 861 2HB GLN 112 2HB GLN 112 -0.458 14.041 -0.769 862 1HG GLN 112 1HG GLN 112 -2.615 14.704 -0.326 863 2HG GLN 112 2HG GLN 112 -2.919 13.367 0.789 864 2HE2 GLN 112 1HE2 GLN 112 -3.851 14.799 2.358 865 1HE2 GLN 112 2HE2 GLN 112 -2.829 15.836 3.327 866 H ASN 113 H ASN 113 1.021 12.877 -1.693 867 HA ASN 113 HA ASN 113 0.592 11.786 -4.367 868 1HB ASN 113 1HB ASN 113 2.034 13.800 -3.650 869 2HB ASN 113 2HB ASN 113 3.236 12.638 -3.110 870 2HD2 ASN 113 1HD2 ASN 113 2.916 10.792 -5.544 871 1HD2 ASN 113 2HD2 ASN 113 3.540 11.743 -6.869 872 H LEU 114 H LEU 114 1.774 10.516 -1.362 873 HA LEU 114 HA LEU 114 3.231 8.282 -2.382 874 1HB LEU 114 1HB LEU 114 2.935 9.199 0.093 875 2HB LEU 114 2HB LEU 114 1.544 8.126 0.117 876 HG LEU 114 HG LEU 114 3.563 6.488 -0.972 877 1HD1 LEU 114 1HD1 LEU 114 5.249 8.221 -0.543 878 2HD1 LEU 114 2HD1 LEU 114 4.837 8.217 1.186 879 3HD1 LEU 114 3HD1 LEU 114 5.545 6.781 0.411 880 1HD2 LEU 114 1HD2 LEU 114 2.807 6.763 1.957 881 2HD2 LEU 114 2HD2 LEU 114 1.952 5.809 0.721 882 3HD2 LEU 114 3HD2 LEU 114 3.598 5.362 1.177 883 H GLN 115 H GLN 115 -0.141 8.990 -2.725 884 HA GLN 115 HA GLN 115 -0.540 6.315 -3.811 885 1HB GLN 115 1HB GLN 115 -2.127 7.492 -1.494 886 2HB GLN 115 2HB GLN 115 -2.905 6.415 -2.628 887 1HG GLN 115 2HG GLN 115 -0.527 5.045 -1.904 888 2HG GLN 115 1HG GLN 115 -2.196 4.642 -1.589 889 2HE2 GLN 115 1HE2 GLN 115 -2.206 3.872 0.561 890 1HE2 GLN 115 2HE2 GLN 115 -1.530 4.820 1.854 891 H LEU 116 H LEU 116 -0.036 8.084 -5.624 892 HA LEU 116 HA LEU 116 -0.770 9.421 -7.256 893 1HB LEU 116 1HB LEU 116 -3.050 8.178 -8.176 894 2HB LEU 116 2HB LEU 116 -1.398 7.870 -8.605 895 HG LEU 116 HG LEU 116 -2.817 6.358 -6.403 896 1HD1 LEU 116 1HD1 LEU 116 -2.497 5.618 -9.346 897 2HD1 LEU 116 2HD1 LEU 116 -3.123 4.537 -8.098 898 3HD1 LEU 116 3HD1 LEU 116 -4.033 5.986 -8.537 899 1HD2 LEU 116 1HD2 LEU 116 -0.256 6.012 -7.855 900 2HD2 LEU 116 2HD2 LEU 116 -0.515 5.928 -6.125 901 3HD2 LEU 116 3HD2 LEU 116 -1.055 4.593 -7.132 902 H GLN 117 H GLN 117 -3.084 10.235 -8.428 903 HA GLN 117 HA GLN 117 -4.785 11.323 -6.337 904 1HB GLN 117 1HB GLN 117 -2.691 12.968 -7.395 905 2HB GLN 117 2HB GLN 117 -4.214 13.625 -7.973 906 1HG GLN 117 1HG GLN 117 -5.040 14.038 -5.827 907 2HG GLN 117 2HG GLN 117 -3.980 12.865 -5.041 908 2HE2 GLN 117 1HE2 GLN 117 -1.743 13.348 -4.771 909 1HE2 GLN 117 2HE2 GLN 117 -1.146 15.018 -4.854 910 HA PRO 118 HA PRO 118 -7.542 10.701 -9.887 911 1HB PRO 118 1HB PRO 118 -9.920 10.855 -8.594 912 2HB PRO 118 2HB PRO 118 -8.843 9.443 -8.400 913 1HG PRO 118 2HG PRO 118 -9.116 10.082 -6.133 914 2HG PRO 118 1HG PRO 118 -9.151 11.825 -6.551 915 1HD PRO 118 1HD PRO 118 -6.912 11.756 -6.009 916 2HD PRO 118 2HD PRO 118 -6.786 9.997 -6.313 917 H GLY 119 H GLY 119 -9.453 12.049 -10.735 918 1HA GLY 119 1HA GLY 119 -8.551 14.876 -10.686 919 2HA GLY 119 2HA GLY 119 -9.463 14.061 -11.956 920 H ASN 120 H ASN 120 -10.528 16.288 -11.550 921 HA ASN 120 HA ASN 120 -13.146 15.667 -10.547 922 1HB ASN 120 1HB ASN 120 -12.318 16.520 -8.419 923 2HB ASN 120 2HB ASN 120 -11.609 17.933 -9.206 924 2HD2 ASN 120 1HD2 ASN 120 -12.955 19.556 -7.998 925 1HD2 ASN 120 2HD2 ASN 120 -14.682 19.423 -8.050 926 H ALA 121 H ALA 121 -14.371 16.439 -12.125 927 HA ALA 121 HA ALA 121 -15.127 17.354 -13.986 928 1HB ALA 121 1HB ALA 121 -14.222 19.900 -12.625 929 2HB ALA 121 2HB ALA 121 -15.317 19.812 -14.020 930 3HB ALA 121 3HB ALA 121 -15.796 19.072 -12.487 931 H LYS 122 H LYS 122 -14.012 16.505 -15.605 932 HA LYS 122 HA LYS 122 -12.862 16.388 -17.497 933 1HB LYS 122 1HB LYS 122 -13.239 18.979 -17.525 934 2HB LYS 122 2HB LYS 122 -11.536 19.102 -17.139 935 1HG LYS 122 1HG LYS 122 -12.504 17.470 -19.509 936 2HG LYS 122 2HG LYS 122 -12.488 19.220 -19.617 937 1HD LYS 122 1HD LYS 122 -10.036 17.515 -19.089 938 2HD LYS 122 2HD LYS 122 -10.517 18.135 -20.658 939 1HE LYS 122 1HE LYS 122 -10.030 20.375 -20.087 940 2HE LYS 122 2HE LYS 122 -10.076 20.027 -18.355 941 1HZ LYS 122 1HZ LYS 122 -8.088 18.725 -18.578 942 2HZ LYS 122 2HZ LYS 122 -7.949 19.043 -20.174 943 3HZ LYS 122 3HZ LYS 122 -7.820 20.267 -19.081 944 H LEU 123 H LEU 123 -10.659 15.898 -18.146 945 HA LEU 123 HA LEU 123 -9.066 14.761 -16.009 946 1HB LEU 123 1HB LEU 123 -7.487 14.209 -17.805 947 2HB LEU 123 2HB LEU 123 -9.079 13.500 -18.008 948 HG LEU 123 HG LEU 123 -8.285 16.014 -19.533 949 1HD1 LEU 123 1HD1 LEU 123 -6.572 14.268 -19.924 950 2HD1 LEU 123 2HD1 LEU 123 -7.845 13.127 -20.406 951 3HD1 LEU 123 3HD1 LEU 123 -7.529 14.594 -21.366 952 1HD2 LEU 123 1HD2 LEU 123 -10.218 13.727 -20.184 953 2HD2 LEU 123 2HD2 LEU 123 -10.722 15.352 -19.702 954 3HD2 LEU 123 3HD2 LEU 123 -9.881 15.127 -21.220 No H/Q in entry = 954 Start of MODEL 19 1 H SER 1 H SER 1 -4.260 -18.840 0.821 2 HA SER 1 HA SER 1 -3.207 -20.533 -1.124 3 1HB SER 1 1HB SER 1 -4.673 -19.049 -2.643 4 2HB SER 1 2HB SER 1 -3.665 -17.684 -2.143 5 HG SER 1 HG SER 1 -2.838 -20.101 -3.426 6 H SER 2 H SER 2 -1.117 -18.690 -1.950 7 HA SER 2 HA SER 2 -0.270 -17.225 0.421 8 1HB SER 2 1HB SER 2 0.575 -19.642 0.657 9 2HB SER 2 2HB SER 2 1.636 -19.301 -0.716 10 HG SER 2 HG SER 2 1.548 -17.883 1.787 11 H ALA 3 H ALA 3 -0.627 -15.485 -0.807 12 HA ALA 3 HA ALA 3 -0.629 -13.952 -2.370 13 1HB ALA 3 1HB ALA 3 1.719 -13.658 -1.806 14 2HB ALA 3 3HB ALA 3 1.451 -13.326 -3.512 15 3HB ALA 3 2HB ALA 3 2.188 -14.858 -3.030 16 H SER 4 H SER 4 0.007 -13.625 -4.983 17 HA SER 4 HA SER 4 -0.429 -15.732 -6.702 18 1HB SER 4 1HB SER 4 -2.777 -15.659 -5.372 19 2HB SER 4 2HB SER 4 -3.116 -14.377 -6.529 20 HG SER 4 HG SER 4 -2.884 -15.785 -8.185 21 H ASP 5 H ASP 5 -1.159 -12.342 -5.956 22 HA ASP 5 HA ASP 5 -0.525 -10.413 -7.031 23 1HB ASP 5 2HB ASP 5 1.686 -10.520 -7.655 24 2HB ASP 5 1HB ASP 5 1.568 -12.188 -8.230 25 H GLY 6 H GLY 6 -2.610 -11.874 -8.424 26 1HA GLY 6 1HA GLY 6 -2.472 -10.706 -11.133 27 2HA GLY 6 2HA GLY 6 -3.206 -12.277 -10.747 28 H PHE 7 H PHE 7 -3.355 -8.868 -10.134 29 HA PHE 7 HA PHE 7 -6.227 -8.803 -9.313 30 1HB PHE 7 1HB PHE 7 -3.825 -7.774 -7.696 31 2HB PHE 7 2HB PHE 7 -5.473 -7.264 -7.410 32 HD1 PHE 7 HD1 PHE 7 -3.341 -10.319 -7.430 33 HD2 PHE 7 HD2 PHE 7 -6.685 -8.309 -5.699 34 HE1 PHE 7 HE1 PHE 7 -3.768 -12.300 -6.001 35 HE2 PHE 7 HE2 PHE 7 -6.944 -10.156 -4.068 36 HZ PHE 7 HZ PHE 7 -5.599 -12.205 -4.332 37 H LYS 8 H LYS 8 -7.123 -6.582 -9.653 38 HA LYS 8 HA LYS 8 -5.464 -4.985 -11.453 39 1HB LYS 8 1HB LYS 8 -8.162 -5.340 -11.321 40 2HB LYS 8 2HB LYS 8 -8.014 -3.783 -10.490 41 1HG LYS 8 1HG LYS 8 -6.785 -2.868 -12.460 42 2HG LYS 8 2HG LYS 8 -6.728 -4.460 -13.180 43 1HD LYS 8 2HD LYS 8 -9.253 -4.463 -13.275 44 2HD LYS 8 1HD LYS 8 -8.434 -3.353 -14.367 45 1HE LYS 8 1HE LYS 8 -10.523 -2.597 -12.888 46 2HE LYS 8 2HE LYS 8 -9.291 -2.347 -11.647 47 1HZ LYS 8 1HZ LYS 8 -8.139 -0.947 -13.422 48 2HZ LYS 8 2HZ LYS 8 -9.578 -1.005 -14.249 49 3HZ LYS 8 3HZ LYS 8 -9.498 -0.346 -12.742 50 H ALA 9 H ALA 9 -5.669 -5.192 -8.051 51 HA ALA 9 HA ALA 9 -4.655 -2.630 -7.357 52 1HB ALA 9 3HB ALA 9 -3.677 -3.826 -5.445 53 2HB ALA 9 2HB ALA 9 -4.013 -5.387 -6.218 54 3HB ALA 9 1HB ALA 9 -5.355 -4.330 -5.705 55 H ASN 10 H ASN 10 -3.237 -5.109 -9.414 56 HA ASN 10 HA ASN 10 -0.621 -5.073 -8.510 57 1HB ASN 10 1HB ASN 10 -1.685 -6.709 -10.092 58 2HB ASN 10 2HB ASN 10 -1.470 -5.534 -11.399 59 2HD2 ASN 10 1HD2 ASN 10 -0.153 -8.376 -10.177 60 1HD2 ASN 10 2HD2 ASN 10 1.507 -8.055 -10.329 61 H LEU 11 H LEU 11 -1.826 -3.165 -11.337 62 HA LEU 11 HA LEU 11 0.565 -1.593 -11.520 63 1HB LEU 11 1HB LEU 11 -0.169 -0.907 -13.354 64 2HB LEU 11 2HB LEU 11 -1.340 -2.173 -13.231 65 HG LEU 11 HG LEU 11 -2.308 -0.214 -14.102 66 1HD1 LEU 11 1HD1 LEU 11 -3.368 -0.669 -11.293 67 2HD1 LEU 11 2HD1 LEU 11 -4.167 0.282 -12.538 68 3HD1 LEU 11 3HD1 LEU 11 -3.868 -1.454 -12.795 69 1HD2 LEU 11 1HD2 LEU 11 -0.576 1.269 -12.872 70 2HD2 LEU 11 2HD2 LEU 11 -2.176 1.928 -13.300 71 3HD2 LEU 11 3HD2 LEU 11 -1.829 1.434 -11.633 72 H VAL 12 H VAL 12 -2.329 -1.084 -9.581 73 HA VAL 12 HA VAL 12 -1.901 1.506 -8.650 74 HB VAL 12 HB VAL 12 -3.503 -0.902 -8.150 75 1HG1 VAL 12 1HG1 VAL 12 -2.869 0.780 -5.749 76 2HG1 VAL 12 2HG1 VAL 12 -4.289 -0.280 -5.878 77 3HG1 VAL 12 3HG1 VAL 12 -2.666 -0.972 -5.868 78 1HG2 VAL 12 1HG2 VAL 12 -4.215 1.102 -9.247 79 2HG2 VAL 12 2HG2 VAL 12 -5.211 0.767 -7.808 80 3HG2 VAL 12 3HG2 VAL 12 -3.959 2.034 -7.743 81 H PHE 13 H PHE 13 -0.694 -1.628 -7.142 82 HA PHE 13 HA PHE 13 0.918 -0.201 -5.231 83 1HB PHE 13 1HB PHE 13 1.171 -3.012 -6.328 84 2HB PHE 13 2HB PHE 13 2.125 -2.374 -4.997 85 HD1 PHE 13 HD1 PHE 13 0.542 -1.195 -3.043 86 HD2 PHE 13 HD2 PHE 13 -0.455 -4.497 -5.623 87 HE1 PHE 13 HE1 PHE 13 -1.115 -2.014 -1.377 88 HE2 PHE 13 HE2 PHE 13 -1.984 -5.382 -3.893 89 HZ PHE 13 HZ PHE 13 -2.376 -4.088 -1.794 90 H LYS 14 H LYS 14 1.469 -1.265 -8.548 91 HA LYS 14 HA LYS 14 4.280 -0.885 -8.496 92 1HB LYS 14 1HB LYS 14 2.674 -1.970 -10.164 93 2HB LYS 14 2HB LYS 14 2.583 -0.425 -10.969 94 1HG LYS 14 1HG LYS 14 4.982 -0.316 -11.374 95 2HG LYS 14 2HG LYS 14 5.279 -1.673 -10.331 96 1HD LYS 14 1HD LYS 14 3.500 -2.831 -12.124 97 2HD LYS 14 2HD LYS 14 4.307 -1.660 -13.173 98 1HE LYS 14 1HE LYS 14 5.667 -3.709 -11.372 99 2HE LYS 14 2HE LYS 14 5.379 -3.952 -13.085 100 1HZ LYS 14 1HZ LYS 14 6.986 -1.706 -12.019 101 2HZ LYS 14 2HZ LYS 14 7.644 -3.105 -12.478 102 3HZ LYS 14 3HZ LYS 14 6.861 -2.180 -13.599 103 H GLU 15 H GLU 15 1.684 1.384 -8.919 104 HA GLU 15 HA GLU 15 3.413 3.493 -9.931 105 1HB GLU 15 1HB GLU 15 1.683 4.910 -10.005 106 2HB GLU 15 2HB GLU 15 0.772 3.443 -9.804 107 1HG GLU 15 1HG GLU 15 -0.285 4.679 -8.381 108 2HG GLU 15 2HG GLU 15 0.892 4.090 -7.217 109 H ILE 16 H ILE 16 2.396 2.623 -6.551 110 HA ILE 16 HA ILE 16 3.921 4.442 -5.119 111 HB ILE 16 HB ILE 16 3.194 1.523 -4.552 112 1HG1 ILE 16 1HG1 ILE 16 1.927 3.926 -3.253 113 2HG1 ILE 16 2HG1 ILE 16 1.206 3.204 -4.701 114 1HG2 ILE 16 1HG2 ILE 16 4.374 3.591 -2.713 115 2HG2 ILE 16 2HG2 ILE 16 3.737 2.004 -2.200 116 3HG2 ILE 16 3HG2 ILE 16 5.133 2.079 -3.252 117 1HD1 ILE 16 1HD1 ILE 16 1.659 1.603 -2.164 118 2HD1 ILE 16 2HD1 ILE 16 0.200 2.497 -2.563 119 3HD1 ILE 16 3HD1 ILE 16 0.740 1.179 -3.619 120 H GLU 17 H GLU 17 4.839 1.145 -6.329 121 HA GLU 17 HA GLU 17 7.548 1.323 -5.561 122 1HB GLU 17 1HB GLU 17 6.512 -0.821 -6.356 123 2HB GLU 17 2HB GLU 17 6.431 -0.157 -7.964 124 1HG GLU 17 1HG GLU 17 8.956 0.110 -7.965 125 2HG GLU 17 2HG GLU 17 9.013 -0.712 -6.424 126 H LYS 18 H LYS 18 6.039 2.335 -8.622 127 HA LYS 18 HA LYS 18 8.442 2.684 -9.971 128 1HB LYS 18 1HB LYS 18 6.271 2.707 -11.128 129 2HB LYS 18 2HB LYS 18 5.825 4.203 -10.312 130 1HG LYS 18 1HG LYS 18 8.276 4.774 -11.647 131 2HG LYS 18 2HG LYS 18 7.349 3.796 -12.772 132 1HD LYS 18 1HD LYS 18 6.331 6.300 -11.363 133 2HD LYS 18 2HD LYS 18 7.057 6.298 -12.964 134 1HE LYS 18 1HE LYS 18 5.271 5.247 -13.985 135 2HE LYS 18 2HE LYS 18 4.798 4.375 -12.514 136 1HZ LYS 18 1HZ LYS 18 3.980 6.445 -11.614 137 2HZ LYS 18 2HZ LYS 18 4.308 7.248 -12.999 138 3HZ LYS 18 3HZ LYS 18 3.191 6.029 -12.978 139 H LYS 19 H LYS 19 6.585 5.008 -7.953 140 HA LYS 19 HA LYS 19 8.494 7.145 -8.296 141 1HB LYS 19 1HB LYS 19 5.994 7.314 -7.482 142 2HB LYS 19 2HB LYS 19 6.616 6.819 -5.923 143 1HG LYS 19 1HG LYS 19 6.697 9.094 -5.663 144 2HG LYS 19 2HG LYS 19 8.326 8.841 -6.242 145 1HD LYS 19 1HD LYS 19 5.971 9.645 -8.014 146 2HD LYS 19 2HD LYS 19 7.094 10.790 -7.279 147 1HE LYS 19 1HE LYS 19 8.984 9.739 -8.496 148 2HE LYS 19 2HE LYS 19 7.854 8.598 -9.251 149 1HZ LYS 19 1HZ LYS 19 6.753 10.445 -10.291 150 2HZ LYS 19 2HZ LYS 19 7.857 11.516 -9.685 151 3HZ LYS 19 3HZ LYS 19 8.323 10.322 -10.726 152 H LEU 20 H LEU 20 8.083 4.585 -5.731 153 HA LEU 20 HA LEU 20 10.201 5.392 -4.143 154 1HB LEU 20 1HB LEU 20 8.456 3.142 -4.455 155 2HB LEU 20 2HB LEU 20 10.042 2.465 -4.510 156 HG LEU 20 HG LEU 20 9.841 4.485 -2.366 157 1HD1 LEU 20 1HD1 LEU 20 7.860 2.202 -2.317 158 2HD1 LEU 20 2HD1 LEU 20 8.248 3.302 -0.964 159 3HD1 LEU 20 3HD1 LEU 20 7.494 3.936 -2.449 160 1HD2 LEU 20 1HD2 LEU 20 11.564 2.701 -2.706 161 2HD2 LEU 20 2HD2 LEU 20 10.885 2.792 -1.091 162 3HD2 LEU 20 3HD2 LEU 20 10.334 1.507 -2.188 163 H GLU 21 H GLU 21 10.374 3.553 -7.214 164 HA GLU 21 HA GLU 21 13.203 3.289 -7.036 165 1HB GLU 21 1HB GLU 21 11.467 3.060 -9.443 166 2HB GLU 21 2HB GLU 21 13.169 2.588 -9.328 167 1HG GLU 21 1HG GLU 21 11.003 1.425 -7.483 168 2HG GLU 21 2HG GLU 21 11.439 0.718 -9.018 169 H GLU 22 H GLU 22 11.210 5.822 -8.645 170 HA GLU 22 HA GLU 22 13.476 7.157 -9.729 171 1HB GLU 22 1HB GLU 22 10.753 8.286 -8.990 172 2HB GLU 22 2HB GLU 22 11.975 9.074 -10.000 173 1HG GLU 22 1HG GLU 22 11.829 6.890 -11.449 174 2HG GLU 22 2HG GLU 22 10.273 6.683 -10.662 175 H GLU 23 H GLU 23 11.824 7.626 -6.574 176 HA GLU 23 HA GLU 23 14.161 8.868 -5.499 177 1HB GLU 23 1HB GLU 23 12.838 10.726 -6.823 178 2HB GLU 23 2HB GLU 23 11.659 10.632 -5.512 179 1HG GLU 23 1HG GLU 23 13.494 10.920 -3.891 180 2HG GLU 23 2HG GLU 23 14.644 11.018 -5.226 181 H GLY 24 H GLY 24 13.360 6.591 -4.608 182 1HA GLY 24 1HA GLY 24 11.264 6.598 -2.619 183 2HA GLY 24 2HA GLY 24 12.565 5.423 -2.792 184 H GLU 25 H GLU 25 14.707 7.494 -2.633 185 HA GLU 25 HA GLU 25 15.489 7.025 -0.079 186 1HB GLU 25 2HB GLU 25 17.025 7.760 -1.728 187 2HB GLU 25 1HB GLU 25 17.162 8.727 -0.278 188 1HG GLU 25 1HG GLU 25 15.908 9.578 -2.929 189 2HG GLU 25 2HG GLU 25 15.862 10.561 -1.452 190 H GLN 26 H GLN 26 13.368 9.733 -1.083 191 HA GLN 26 HA GLN 26 13.566 11.159 1.420 192 1HB GLN 26 1HB GLN 26 13.139 12.018 -0.980 193 2HB GLN 26 2HB GLN 26 11.494 11.424 -0.784 194 1HG GLN 26 1HG GLN 26 11.231 12.846 1.234 195 2HG GLN 26 2HG GLN 26 12.897 13.417 1.035 196 2HE2 GLN 26 1HE2 GLN 26 13.287 14.238 -1.416 197 1HE2 GLN 26 2HE2 GLN 26 12.007 15.194 -2.084 198 H PHE 27 H PHE 27 11.345 8.609 0.059 199 HA PHE 27 HA PHE 27 9.383 9.160 2.162 200 1HB PHE 27 1HB PHE 27 9.608 7.459 -0.294 201 2HB PHE 27 2HB PHE 27 8.775 6.756 1.059 202 HD1 PHE 27 HD1 PHE 27 6.805 8.029 2.177 203 HD2 PHE 27 HD2 PHE 27 8.526 9.131 -1.611 204 HE1 PHE 27 HE1 PHE 27 4.797 9.404 1.651 205 HE2 PHE 27 HE2 PHE 27 6.522 10.496 -2.140 206 HZ PHE 27 HZ PHE 27 4.649 10.632 -0.508 207 H VAL 28 H VAL 28 12.301 7.203 1.670 208 HA VAL 28 HA VAL 28 11.963 5.265 3.685 209 HB VAL 28 HB VAL 28 14.456 6.801 2.870 210 1HG1 VAL 28 1HG1 VAL 28 14.180 4.149 4.327 211 2HG1 VAL 28 2HG1 VAL 28 15.699 4.828 3.717 212 3HG1 VAL 28 3HG1 VAL 28 14.837 5.647 5.023 213 1HG2 VAL 28 1HG2 VAL 28 13.368 5.525 0.998 214 2HG2 VAL 28 2HG2 VAL 28 14.900 4.827 1.450 215 3HG2 VAL 28 3HG2 VAL 28 13.376 4.085 1.990 216 H LYS 29 H LYS 29 12.949 8.764 4.029 217 HA LYS 29 HA LYS 29 13.234 8.417 6.860 218 1HB LYS 29 1HB LYS 29 13.846 10.580 6.974 219 2HB LYS 29 2HB LYS 29 14.299 10.131 5.337 220 1HG LYS 29 1HG LYS 29 11.857 11.215 4.833 221 2HG LYS 29 2HG LYS 29 12.204 12.060 6.333 222 1HD LYS 29 1HD LYS 29 14.036 11.952 3.890 223 2HD LYS 29 2HD LYS 29 13.001 13.324 4.319 224 1HE LYS 29 1HE LYS 29 14.221 13.820 6.275 225 2HE LYS 29 2HE LYS 29 15.005 12.235 6.325 226 1HZ LYS 29 1HZ LYS 29 15.575 14.208 4.220 227 2HZ LYS 29 2HZ LYS 29 16.484 13.992 5.592 228 3HZ LYS 29 3HZ LYS 29 16.353 12.781 4.529 229 H LYS 30 H LYS 30 10.404 8.895 4.935 230 HA LYS 30 HA LYS 30 8.709 9.885 7.050 231 1HB LYS 30 1HB LYS 30 8.031 8.403 4.484 232 2HB LYS 30 2HB LYS 30 6.869 9.155 5.548 233 1HG LYS 30 1HG LYS 30 9.198 10.864 4.587 234 2HG LYS 30 2HG LYS 30 7.983 10.407 3.430 235 1HD LYS 30 1HD LYS 30 6.220 11.441 4.732 236 2HD LYS 30 2HD LYS 30 7.265 11.533 6.169 237 1HE LYS 30 1HE LYS 30 8.763 13.100 4.868 238 2HE LYS 30 2HE LYS 30 7.509 13.155 3.614 239 1HZ LYS 30 1HZ LYS 30 5.975 13.940 5.343 240 2HZ LYS 30 2HZ LYS 30 7.171 13.964 6.453 241 3HZ LYS 30 3HZ LYS 30 7.240 14.957 5.111 242 H ILE 31 H ILE 31 8.958 6.671 5.528 243 HA ILE 31 HA ILE 31 7.181 5.477 7.473 244 HB ILE 31 HB ILE 31 8.866 4.301 5.224 245 1HG1 ILE 31 2HG1 ILE 31 6.700 4.416 3.910 246 2HG1 ILE 31 1HG1 ILE 31 7.544 5.928 4.113 247 1HG2 ILE 31 1HG2 ILE 31 6.410 3.286 6.695 248 2HG2 ILE 31 2HG2 ILE 31 6.993 2.607 5.192 249 3HG2 ILE 31 3HG2 ILE 31 8.036 2.534 6.616 250 1HD1 ILE 31 1HD1 ILE 31 5.391 5.249 6.111 251 2HD1 ILE 31 2HD1 ILE 31 5.888 6.822 5.431 252 3HD1 ILE 31 3HD1 ILE 31 4.922 5.668 4.489 253 H GLY 32 H GLY 32 10.669 4.950 6.564 254 1HA GLY 32 1HA GLY 32 12.313 3.763 7.540 255 2HA GLY 32 2HA GLY 32 11.710 4.367 9.091 256 H GLY 33 H GLY 33 10.616 1.869 6.537 257 1HA GLY 33 1HA GLY 33 10.909 -0.138 8.587 258 2HA GLY 33 2HA GLY 33 9.203 0.231 8.282 259 H ILE 34 H ILE 34 9.832 -2.212 7.815 260 HA ILE 34 HA ILE 34 9.623 -2.359 4.871 261 HB ILE 34 HB ILE 34 10.604 -4.610 6.686 262 1HG1 ILE 34 2HG1 ILE 34 11.831 -3.356 4.188 263 2HG1 ILE 34 1HG1 ILE 34 12.389 -4.850 4.936 264 1HG2 ILE 34 1HG2 ILE 34 9.634 -4.622 3.794 265 2HG2 ILE 34 2HG2 ILE 34 10.401 -6.016 4.625 266 3HG2 ILE 34 3HG2 ILE 34 8.847 -5.400 5.160 267 1HD1 ILE 34 1HD1 ILE 34 12.775 -3.577 7.075 268 2HD1 ILE 34 2HD1 ILE 34 13.849 -3.148 5.717 269 3HD1 ILE 34 3HD1 ILE 34 12.519 -2.084 6.151 270 H PHE 35 H PHE 35 7.494 -2.649 4.456 271 HA PHE 35 HA PHE 35 5.944 -4.088 6.481 272 1HB PHE 35 2HB PHE 35 5.569 -1.752 6.927 273 2HB PHE 35 1HB PHE 35 4.115 -2.604 6.444 274 HD1 PHE 35 HD1 PHE 35 6.881 -0.480 4.912 275 HD2 PHE 35 HD2 PHE 35 2.703 -1.587 4.922 276 HE1 PHE 35 HE1 PHE 35 6.343 1.435 3.405 277 HE2 PHE 35 HE2 PHE 35 2.184 0.390 3.526 278 HZ PHE 35 HZ PHE 35 3.983 1.916 2.808 279 H ALA 36 H ALA 36 3.875 -4.957 5.538 280 HA ALA 36 HA ALA 36 3.987 -5.021 2.571 281 1HB ALA 36 2HB ALA 36 3.074 -7.468 4.048 282 2HB ALA 36 1HB ALA 36 4.821 -7.163 3.887 283 3HB ALA 36 3HB ALA 36 3.816 -7.295 2.448 284 H PHE 37 H PHE 37 2.021 -5.818 1.607 285 HA PHE 37 HA PHE 37 -0.357 -4.442 2.750 286 1HB PHE 37 1HB PHE 37 0.648 -4.950 -0.079 287 2HB PHE 37 2HB PHE 37 -0.916 -4.265 0.264 288 HD1 PHE 37 HD1 PHE 37 -0.346 -2.233 2.400 289 HD2 PHE 37 HD2 PHE 37 1.884 -3.275 -1.135 290 HE1 PHE 37 HE1 PHE 37 0.456 0.052 2.228 291 HE2 PHE 37 HE2 PHE 37 2.718 -0.985 -1.294 292 HZ PHE 37 HZ PHE 37 1.994 0.739 0.393 293 H LYS 38 H LYS 38 -1.578 -6.139 3.740 294 HA LYS 38 HA LYS 38 -1.453 -8.762 2.479 295 1HB LYS 38 1HB LYS 38 -1.507 -8.054 5.055 296 2HB LYS 38 2HB LYS 38 -3.226 -8.050 4.861 297 1HG LYS 38 2HG LYS 38 -2.947 -10.418 3.837 298 2HG LYS 38 1HG LYS 38 -2.757 -10.256 5.582 299 1HD LYS 38 1HD LYS 38 -0.334 -10.128 3.733 300 2HD LYS 38 2HD LYS 38 -0.394 -10.411 5.484 301 1HE LYS 38 1HE LYS 38 -1.521 -12.576 5.089 302 2HE LYS 38 2HE LYS 38 -1.490 -12.278 3.344 303 1HZ LYS 38 1HZ LYS 38 0.944 -12.293 3.458 304 2HZ LYS 38 2HZ LYS 38 0.899 -12.612 5.060 305 3HZ LYS 38 3HZ LYS 38 0.291 -13.697 3.984 306 H VAL 39 H VAL 39 -2.526 -8.624 0.505 307 HA VAL 39 HA VAL 39 -5.250 -7.567 0.498 308 HB VAL 39 HB VAL 39 -3.876 -9.008 -1.826 309 1HG1 VAL 39 1HG1 VAL 39 -6.253 -8.356 -2.078 310 2HG1 VAL 39 2HG1 VAL 39 -5.804 -6.666 -1.747 311 3HG1 VAL 39 3HG1 VAL 39 -5.203 -7.487 -3.204 312 1HG2 VAL 39 1HG2 VAL 39 -3.370 -6.121 -1.048 313 2HG2 VAL 39 2HG2 VAL 39 -2.167 -7.423 -1.187 314 3HG2 VAL 39 3HG2 VAL 39 -2.991 -6.847 -2.626 315 H LYS 40 H LYS 40 -7.002 -8.937 0.961 316 HA LYS 40 HA LYS 40 -6.892 -11.681 -0.173 317 1HB LYS 40 1HB LYS 40 -8.832 -12.141 1.493 318 2HB LYS 40 2HB LYS 40 -7.167 -12.149 2.011 319 1HG LYS 40 1HG LYS 40 -7.356 -10.100 3.202 320 2HG LYS 40 2HG LYS 40 -8.942 -9.760 2.480 321 1HD LYS 40 1HD LYS 40 -9.145 -10.522 4.801 322 2HD LYS 40 2HD LYS 40 -9.952 -11.636 3.685 323 1HE LYS 40 1HE LYS 40 -8.149 -13.261 3.864 324 2HE LYS 40 2HE LYS 40 -7.127 -12.092 4.715 325 1HZ LYS 40 1HZ LYS 40 -8.637 -12.165 6.560 326 2HZ LYS 40 2HZ LYS 40 -9.601 -13.291 5.841 327 3HZ LYS 40 3HZ LYS 40 -8.052 -13.657 6.244 328 H ASP 41 H ASP 41 -9.428 -12.247 -0.408 329 HA ASP 41 HA ASP 41 -11.194 -12.049 -1.815 330 1HB ASP 41 1HB ASP 41 -11.496 -10.705 0.504 331 2HB ASP 41 2HB ASP 41 -11.770 -9.369 -0.568 332 H GLY 42 H GLY 42 -9.357 -11.702 -3.410 333 1HA GLY 42 1HA GLY 42 -9.012 -9.265 -4.767 334 2HA GLY 42 2HA GLY 42 -8.741 -10.870 -5.451 335 HA PRO 43 HA PRO 43 -12.220 -9.198 -8.041 336 1HB PRO 43 1HB PRO 43 -10.779 -9.123 -10.381 337 2HB PRO 43 2HB PRO 43 -11.016 -7.736 -9.286 338 1HG PRO 43 1HG PRO 43 -8.611 -9.529 -9.505 339 2HG PRO 43 2HG PRO 43 -8.687 -7.748 -9.282 340 1HD PRO 43 1HD PRO 43 -8.272 -9.571 -7.249 341 2HD PRO 43 2HD PRO 43 -9.003 -7.966 -7.011 342 H GLY 44 H GLY 44 -10.844 -11.758 -7.011 343 1HA GLY 44 1HA GLY 44 -12.673 -13.344 -8.433 344 2HA GLY 44 2HA GLY 44 -11.084 -14.094 -8.493 345 H GLY 45 H GLY 45 -10.306 -12.934 -5.707 346 1HA GLY 45 1HA GLY 45 -11.370 -13.407 -3.508 347 2HA GLY 45 2HA GLY 45 -11.778 -14.975 -4.184 348 H LYS 46 H LYS 46 -8.878 -14.517 -5.602 349 HA LYS 46 HA LYS 46 -7.365 -16.155 -3.890 350 1HB LYS 46 2HB LYS 46 -5.467 -15.515 -5.308 351 2HB LYS 46 1HB LYS 46 -6.387 -14.140 -5.958 352 1HG LYS 46 1HG LYS 46 -7.400 -16.997 -6.218 353 2HG LYS 46 2HG LYS 46 -7.893 -15.567 -7.131 354 1HD LYS 46 1HD LYS 46 -5.561 -15.507 -8.130 355 2HD LYS 46 2HD LYS 46 -5.226 -17.010 -7.259 356 1HE LYS 46 2HE LYS 46 -7.184 -18.076 -8.442 357 2HE LYS 46 1HE LYS 46 -5.776 -17.698 -9.440 358 1HZ LYS 46 1HZ LYS 46 -8.145 -15.936 -9.272 359 2HZ LYS 46 2HZ LYS 46 -6.858 -15.778 -10.269 360 3HZ LYS 46 3HZ LYS 46 -7.892 -17.063 -10.443 361 H GLU 47 H GLU 47 -4.920 -15.046 -3.363 362 HA GLU 47 HA GLU 47 -5.376 -12.510 -1.926 363 1HB GLU 47 1HB GLU 47 -4.010 -13.074 -0.121 364 2HB GLU 47 2HB GLU 47 -5.317 -14.238 -0.171 365 1HG GLU 47 1HG GLU 47 -3.837 -16.002 -0.628 366 2HG GLU 47 2HG GLU 47 -2.638 -14.949 -1.393 367 H ALA 48 H ALA 48 -3.246 -11.341 -1.575 368 HA ALA 48 HA ALA 48 -0.968 -12.095 -3.197 369 1HB ALA 48 1HB ALA 48 -2.564 -9.562 -3.794 370 2HB ALA 48 3HB ALA 48 -2.132 -10.879 -4.919 371 3HB ALA 48 2HB ALA 48 -0.872 -9.843 -4.269 372 H THR 49 H THR 49 0.819 -10.530 -2.653 373 HA THR 49 HA THR 49 0.236 -8.565 -0.636 374 HB THR 49 HB THR 49 2.193 -10.838 -0.033 375 HG1 THR 49 HG1 THR 49 0.523 -11.582 0.859 376 1HG2 THR 49 1HG2 THR 49 1.791 -8.200 1.413 377 2HG2 THR 49 2HG2 THR 49 2.669 -9.587 2.095 378 3HG2 THR 49 3HG2 THR 49 3.275 -8.795 0.638 379 H TRP 50 H TRP 50 1.706 -6.875 -0.771 380 HA TRP 50 HA TRP 50 4.039 -7.107 -2.642 381 1HB TRP 50 1HB TRP 50 1.848 -5.085 -2.330 382 2HB TRP 50 2HB TRP 50 3.485 -4.442 -2.376 383 HD1 TRP 50 HD1 TRP 50 4.494 -4.035 -4.729 384 HE1 TRP 50 HE1 TRP 50 3.677 -4.426 -7.108 385 HE3 TRP 50 HE3 TRP 50 0.540 -7.091 -3.672 386 HZ2 TRP 50 HZ2 TRP 50 1.666 -6.044 -8.397 387 HZ3 TRP 50 HZ3 TRP 50 -0.888 -7.978 -5.504 388 HH2 TRP 50 HH2 TRP 50 -0.360 -7.478 -7.849 389 H VAL 51 H VAL 51 6.003 -6.615 -1.487 390 HA VAL 51 HA VAL 51 5.741 -5.756 1.348 391 HB VAL 51 HB VAL 51 7.997 -7.202 -0.097 392 1HG1 VAL 51 1HG1 VAL 51 7.704 -6.444 2.837 393 2HG1 VAL 51 2HG1 VAL 51 9.007 -7.443 2.152 394 3HG1 VAL 51 3HG1 VAL 51 8.862 -5.747 1.682 395 1HG2 VAL 51 1HG2 VAL 51 6.146 -8.773 0.276 396 2HG2 VAL 51 2HG2 VAL 51 7.570 -9.168 1.206 397 3HG2 VAL 51 3HG2 VAL 51 6.186 -8.391 2.009 398 H VAL 52 H VAL 52 6.720 -3.715 1.833 399 HA VAL 52 HA VAL 52 7.932 -2.230 -0.448 400 HB VAL 52 HB VAL 52 6.377 -1.194 1.957 401 1HG1 VAL 52 1HG1 VAL 52 8.132 0.338 0.874 402 2HG1 VAL 52 2HG1 VAL 52 7.127 0.327 -0.576 403 3HG1 VAL 52 3HG1 VAL 52 6.495 0.971 0.951 404 1HG2 VAL 52 1HG2 VAL 52 4.795 -2.357 0.428 405 2HG2 VAL 52 2HG2 VAL 52 4.532 -0.623 0.495 406 3HG2 VAL 52 3HG2 VAL 52 5.340 -1.330 -0.914 407 H ASP 53 H ASP 53 10.153 -1.982 -0.065 408 HA ASP 53 HA ASP 53 11.082 -1.884 2.742 409 1HB ASP 53 1HB ASP 53 12.329 -3.140 0.704 410 2HB ASP 53 2HB ASP 53 12.980 -1.540 0.420 411 H VAL 54 H VAL 54 10.976 0.061 3.639 412 HA VAL 54 HA VAL 54 12.245 2.258 2.220 413 HB VAL 54 HB VAL 54 10.454 3.827 3.373 414 1HG1 VAL 54 1HG1 VAL 54 10.996 3.730 0.961 415 2HG1 VAL 54 2HG1 VAL 54 9.745 2.468 0.787 416 3HG1 VAL 54 3HG1 VAL 54 9.314 4.109 1.332 417 1HG2 VAL 54 1HG2 VAL 54 9.127 2.041 4.392 418 2HG2 VAL 54 2HG2 VAL 54 8.182 3.010 3.206 419 3HG2 VAL 54 3HG2 VAL 54 8.737 1.392 2.792 420 H LYS 55 H LYS 55 13.461 0.616 3.771 421 HA LYS 55 HA LYS 55 14.292 2.542 5.853 422 1HB LYS 55 1HB LYS 55 13.145 0.712 7.129 423 2HB LYS 55 2HB LYS 55 14.238 -0.456 6.370 424 1HG LYS 55 1HG LYS 55 16.176 0.977 7.317 425 2HG LYS 55 2HG LYS 55 14.945 1.815 8.265 426 1HD LYS 55 1HD LYS 55 14.405 -0.248 9.443 427 2HD LYS 55 2HD LYS 55 15.402 -1.200 8.303 428 1HE LYS 55 1HE LYS 55 17.360 0.319 8.997 429 2HE LYS 55 2HE LYS 55 16.341 0.865 10.334 430 1HZ LYS 55 1HZ LYS 55 17.165 -1.946 9.825 431 2HZ LYS 55 2HZ LYS 55 17.808 -0.924 10.942 432 3HZ LYS 55 3HZ LYS 55 16.243 -1.446 11.077 433 H ASN 56 H ASN 56 15.023 -0.458 4.018 434 HA ASN 56 HA ASN 56 17.907 -0.147 4.476 435 1HB ASN 56 1HB ASN 56 16.067 -2.202 3.213 436 2HB ASN 56 2HB ASN 56 17.712 -2.134 2.678 437 2HD2 ASN 56 1HD2 ASN 56 16.039 -1.896 5.824 438 1HD2 ASN 56 2HD2 ASN 56 16.979 -3.130 6.615 439 H GLY 57 H GLY 57 18.885 1.434 3.355 440 1HA GLY 57 1HA GLY 57 19.831 2.475 1.538 441 2HA GLY 57 2HA GLY 57 19.058 1.298 0.479 442 H LYS 58 H LYS 58 18.378 2.734 -0.999 443 HA LYS 58 HA LYS 58 16.890 5.149 -0.406 444 1HB LYS 58 1HB LYS 58 17.332 4.179 -3.183 445 2HB LYS 58 2HB LYS 58 17.218 5.828 -2.609 446 1HG LYS 58 1HG LYS 58 19.406 5.734 -1.721 447 2HG LYS 58 2HG LYS 58 19.584 3.993 -2.003 448 1HD LYS 58 1HD LYS 58 19.332 6.057 -4.199 449 2HD LYS 58 2HD LYS 58 20.865 5.412 -3.592 450 1HE LYS 58 1HE LYS 58 20.069 3.076 -4.231 451 2HE LYS 58 2HE LYS 58 18.641 3.832 -4.947 452 1HZ LYS 58 1HZ LYS 58 20.279 5.139 -6.327 453 2HZ LYS 58 2HZ LYS 58 21.433 4.048 -5.901 454 3HZ LYS 58 3HZ LYS 58 20.110 3.571 -6.709 455 H GLY 59 H GLY 59 15.802 2.102 -0.148 456 1HA GLY 59 1HA GLY 59 13.568 1.598 0.001 457 2HA GLY 59 2HA GLY 59 13.154 2.912 -1.105 458 H SER 60 H SER 60 12.344 0.106 -1.292 459 HA SER 60 HA SER 60 12.045 0.308 -4.029 460 1HB SER 60 1HB SER 60 13.760 -2.111 -3.210 461 2HB SER 60 2HB SER 60 12.782 -2.051 -4.674 462 HG SER 60 HG SER 60 14.033 -0.196 -5.323 463 H VAL 61 H VAL 61 10.395 -1.386 -4.731 464 HA VAL 61 HA VAL 61 9.041 -2.625 -2.403 465 HB VAL 61 HB VAL 61 7.827 -2.076 -5.097 466 1HG1 VAL 61 1HG1 VAL 61 6.557 -3.702 -3.724 467 2HG1 VAL 61 2HG1 VAL 61 6.495 -2.534 -2.395 468 3HG1 VAL 61 3HG1 VAL 61 5.668 -2.201 -3.927 469 1HG2 VAL 61 1HG2 VAL 61 7.710 -0.326 -2.598 470 2HG2 VAL 61 2HG2 VAL 61 8.441 0.115 -4.144 471 3HG2 VAL 61 3HG2 VAL 61 6.689 -0.104 -4.034 472 H LEU 62 H LEU 62 8.101 -4.729 -2.892 473 HA LEU 62 HA LEU 62 9.976 -6.491 -4.397 474 1HB LEU 62 1HB LEU 62 9.231 -6.352 -1.477 475 2HB LEU 62 2HB LEU 62 10.053 -7.740 -2.168 476 HG LEU 62 HG LEU 62 11.243 -4.929 -2.309 477 1HD1 LEU 62 1HD1 LEU 62 11.471 -6.863 0.017 478 2HD1 LEU 62 2HD1 LEU 62 12.455 -5.402 -0.227 479 3HD1 LEU 62 3HD1 LEU 62 10.724 -5.251 0.032 480 1HD2 LEU 62 1HD2 LEU 62 12.250 -6.738 -3.687 481 2HD2 LEU 62 2HD2 LEU 62 13.337 -6.114 -2.430 482 3HD2 LEU 62 3HD2 LEU 62 12.518 -7.692 -2.213 483 HA PRO 63 HA PRO 63 5.518 -7.724 -4.777 484 1HB PRO 63 1HB PRO 63 5.453 -8.373 -7.396 485 2HB PRO 63 2HB PRO 63 5.425 -6.679 -6.850 486 1HG PRO 63 1HG PRO 63 7.785 -8.243 -7.907 487 2HG PRO 63 2HG PRO 63 7.315 -6.554 -8.260 488 1HD PRO 63 1HD PRO 63 9.232 -7.330 -6.382 489 2HD PRO 63 2HD PRO 63 8.343 -5.787 -6.318 490 H ASN 64 H ASN 64 4.625 -9.899 -4.837 491 HA ASN 64 HA ASN 64 4.614 -12.040 -4.382 492 1HB ASN 64 2HB ASN 64 5.113 -13.443 -6.070 493 2HB ASN 64 1HB ASN 64 6.556 -12.600 -6.592 494 2HD2 ASN 64 1HD2 ASN 64 5.108 -13.464 -8.606 495 1HD2 ASN 64 2HD2 ASN 64 4.125 -12.195 -9.314 496 H SER 65 H SER 65 6.684 -10.584 -2.848 497 HA SER 65 HA SER 65 9.053 -12.332 -2.883 498 1HB SER 65 1HB SER 65 9.374 -9.900 -3.042 499 2HB SER 65 2HB SER 65 8.521 -9.672 -1.498 500 HG SER 65 HG SER 65 10.872 -11.267 -1.797 501 H ASP 66 H ASP 66 9.799 -13.250 -1.065 502 HA ASP 66 HA ASP 66 7.785 -14.196 0.880 503 1HB ASP 66 1HB ASP 66 9.345 -15.743 -0.394 504 2HB ASP 66 2HB ASP 66 10.677 -15.055 0.559 505 H LYS 67 H LYS 67 10.483 -12.038 0.644 506 HA LYS 67 HA LYS 67 11.649 -12.202 3.168 507 1HB LYS 67 1HB LYS 67 11.352 -9.834 1.275 508 2HB LYS 67 2HB LYS 67 12.208 -9.710 2.817 509 1HG LYS 67 1HG LYS 67 13.678 -11.612 2.154 510 2HG LYS 67 2HG LYS 67 12.898 -11.629 0.558 511 1HD LYS 67 1HD LYS 67 13.705 -9.341 0.130 512 2HD LYS 67 2HD LYS 67 14.398 -9.277 1.769 513 1HE LYS 67 1HE LYS 67 15.917 -11.154 1.228 514 2HE LYS 67 2HE LYS 67 15.221 -11.264 -0.387 515 1HZ LYS 67 1HZ LYS 67 16.043 -9.009 -0.811 516 2HZ LYS 67 2HZ LYS 67 16.784 -8.951 0.653 517 3HZ LYS 67 3HZ LYS 67 17.253 -10.057 -0.459 518 H LYS 68 H LYS 68 10.866 -11.903 5.233 519 HA LYS 68 HA LYS 68 8.171 -11.031 5.436 520 1HB LYS 68 1HB LYS 68 8.414 -11.503 7.771 521 2HB LYS 68 2HB LYS 68 9.299 -12.715 6.870 522 1HG LYS 68 1HG LYS 68 11.305 -10.852 7.405 523 2HG LYS 68 2HG LYS 68 10.249 -10.666 8.803 524 1HD LYS 68 1HD LYS 68 10.365 -13.331 8.866 525 2HD LYS 68 2HD LYS 68 11.757 -13.080 7.818 526 1HE LYS 68 1HE LYS 68 12.856 -13.149 9.783 527 2HE LYS 68 2HE LYS 68 12.542 -11.409 9.743 528 1HZ LYS 68 1HZ LYS 68 10.807 -13.396 11.100 529 2HZ LYS 68 2HZ LYS 68 11.988 -12.564 11.866 530 3HZ LYS 68 3HZ LYS 68 10.708 -11.755 11.251 531 H ALA 69 H ALA 69 7.849 -9.480 7.394 532 HA ALA 69 HA ALA 69 9.149 -6.832 6.838 533 1HB ALA 69 3HB ALA 69 7.094 -7.163 5.388 534 2HB ALA 69 2HB ALA 69 6.839 -5.939 6.633 535 3HB ALA 69 1HB ALA 69 6.146 -7.541 6.845 536 H ASP 70 H ASP 70 8.657 -5.237 8.494 537 HA ASP 70 HA ASP 70 8.726 -6.431 11.118 538 1HB ASP 70 1HB ASP 70 9.168 -4.294 11.894 539 2HB ASP 70 2HB ASP 70 10.099 -4.510 10.435 540 H CYS 71 H CYS 71 6.287 -4.885 9.069 541 HA CYS 71 HA CYS 71 4.226 -6.193 10.624 542 1HB CYS 71 1HB CYS 71 4.698 -3.253 10.775 543 2HB CYS 71 2HB CYS 71 3.024 -3.712 10.508 544 H THR 72 H THR 72 1.949 -5.497 9.501 545 HA THR 72 HA THR 72 2.192 -5.252 6.615 546 HB THR 72 HB THR 72 1.740 -7.901 8.009 547 HG1 THR 72 HG1 THR 72 3.752 -7.707 7.360 548 1HG2 THR 72 1HG2 THR 72 0.788 -7.106 5.245 549 2HG2 THR 72 2HG2 THR 72 1.125 -8.789 5.721 550 3HG2 THR 72 3HG2 THR 72 -0.090 -7.859 6.609 551 H ILE 73 H ILE 73 0.331 -4.153 6.042 552 HA ILE 73 HA ILE 73 -1.704 -3.858 8.142 553 HB ILE 73 HB ILE 73 -0.677 -1.940 6.847 554 1HG1 ILE 73 1HG1 ILE 73 -3.702 -2.044 6.560 555 2HG1 ILE 73 2HG1 ILE 73 -2.882 -1.903 8.109 556 1HG2 ILE 73 1HG2 ILE 73 -0.743 -3.077 4.598 557 2HG2 ILE 73 2HG2 ILE 73 -2.502 -2.879 4.578 558 3HG2 ILE 73 3HG2 ILE 73 -1.452 -1.449 4.579 559 1HD1 ILE 73 1HD1 ILE 73 -1.785 0.209 7.335 560 2HD1 ILE 73 2HD1 ILE 73 -2.736 0.117 5.835 561 3HD1 ILE 73 3HD1 ILE 73 -3.547 0.287 7.401 562 H THR 74 H THR 74 -4.095 -4.137 7.684 563 HA THR 74 HA THR 74 -4.593 -6.344 5.716 564 HB THR 74 HB THR 74 -6.115 -5.239 8.118 565 HG1 THR 74 HG1 THR 74 -4.898 -6.532 9.179 566 1HG2 THR 74 1HG2 THR 74 -6.566 -7.601 6.198 567 2HG2 THR 74 2HG2 THR 74 -7.426 -7.433 7.749 568 3HG2 THR 74 3HG2 THR 74 -7.645 -6.231 6.472 569 H MET 75 H MET 75 -5.534 -5.807 3.805 570 HA MET 75 HA MET 75 -8.003 -4.629 4.064 571 1HB MET 75 1HB MET 75 -7.553 -2.852 2.153 572 2HB MET 75 2HB MET 75 -7.559 -2.468 3.866 573 1HG MET 75 1HG MET 75 -4.862 -3.122 3.133 574 2HG MET 75 2HG MET 75 -5.534 -2.031 1.933 575 1HE MET 75 1HE MET 75 -6.257 0.337 2.267 576 2HE MET 75 2HE MET 75 -7.471 -0.120 3.477 577 3HE MET 75 3HE MET 75 -6.323 1.196 3.822 578 H ALA 76 H ALA 76 -9.064 -5.895 2.834 579 HA ALA 76 HA ALA 76 -8.264 -7.633 0.811 580 1HB ALA 76 1HB ALA 76 -10.541 -7.635 1.777 581 2HB ALA 76 2HB ALA 76 -10.887 -6.091 0.956 582 3HB ALA 76 3HB ALA 76 -10.620 -7.553 0.005 583 H ASP 77 H ASP 77 -8.712 -7.536 -1.620 584 HA ASP 77 HA ASP 77 -7.439 -5.390 -2.984 585 1HB ASP 77 1HB ASP 77 -7.965 -7.624 -3.919 586 2HB ASP 77 2HB ASP 77 -9.642 -7.214 -4.048 587 H SER 78 H SER 78 -10.785 -6.158 -2.645 588 HA SER 78 HA SER 78 -11.794 -3.814 -4.000 589 1HB SER 78 1HB SER 78 -13.000 -6.067 -3.516 590 2HB SER 78 2HB SER 78 -13.456 -5.331 -1.968 591 HG SER 78 HG SER 78 -13.939 -4.269 -4.579 592 H ASP 79 H ASP 79 -10.258 -3.975 -1.092 593 HA ASP 79 HA ASP 79 -11.526 -1.519 0.033 594 1HB ASP 79 1HB ASP 79 -11.683 -3.302 1.528 595 2HB ASP 79 2HB ASP 79 -10.049 -3.838 1.241 596 H PHE 80 H PHE 80 -8.200 -2.947 -0.546 597 HA PHE 80 HA PHE 80 -6.697 -0.567 -0.436 598 1HB PHE 80 1HB PHE 80 -6.420 -3.173 -1.956 599 2HB PHE 80 2HB PHE 80 -5.443 -1.826 -2.487 600 HD1 PHE 80 HD1 PHE 80 -4.161 -0.468 -0.526 601 HD2 PHE 80 HD2 PHE 80 -5.349 -4.616 -0.469 602 HE1 PHE 80 HE1 PHE 80 -2.466 -0.938 1.227 603 HE2 PHE 80 HE2 PHE 80 -3.650 -5.084 1.262 604 HZ PHE 80 HZ PHE 80 -2.250 -3.246 2.153 605 H LEU 81 H LEU 81 -8.214 -2.066 -3.305 606 HA LEU 81 HA LEU 81 -7.527 -0.149 -5.235 607 1HB LEU 81 1HB LEU 81 -8.565 -2.477 -5.521 608 2HB LEU 81 2HB LEU 81 -10.102 -1.774 -5.072 609 HG LEU 81 HG LEU 81 -9.833 -0.161 -7.040 610 1HD1 LEU 81 1HD1 LEU 81 -7.640 -2.165 -7.778 611 2HD1 LEU 81 2HD1 LEU 81 -8.349 -0.972 -8.886 612 3HD1 LEU 81 3HD1 LEU 81 -7.423 -0.420 -7.487 613 1HD2 LEU 81 1HD2 LEU 81 -9.980 -3.149 -7.593 614 2HD2 LEU 81 2HD2 LEU 81 -11.335 -2.109 -7.106 615 3HD2 LEU 81 3HD2 LEU 81 -10.565 -1.871 -8.684 616 H ALA 82 H ALA 82 -10.413 -0.518 -3.240 617 HA ALA 82 HA ALA 82 -11.780 1.852 -4.054 618 1HB ALA 82 2HB ALA 82 -13.079 1.505 -1.940 619 2HB ALA 82 3HB ALA 82 -12.937 0.046 -2.944 620 3HB ALA 82 1HB ALA 82 -11.948 0.253 -1.471 621 H LEU 83 H LEU 83 -9.128 1.479 -1.749 622 HA LEU 83 HA LEU 83 -9.558 4.020 -0.448 623 1HB LEU 83 1HB LEU 83 -8.247 1.844 0.341 624 2HB LEU 83 2HB LEU 83 -6.911 2.540 -0.528 625 HG LEU 83 HG LEU 83 -7.744 4.745 0.925 626 1HD1 LEU 83 1HD1 LEU 83 -8.338 2.237 2.572 627 2HD1 LEU 83 2HD1 LEU 83 -8.037 3.818 3.276 628 3HD1 LEU 83 3HD1 LEU 83 -9.448 3.573 2.207 629 1HD2 LEU 83 1HD2 LEU 83 -5.459 3.861 0.744 630 2HD2 LEU 83 2HD2 LEU 83 -5.879 4.295 2.403 631 3HD2 LEU 83 3HD2 LEU 83 -5.836 2.585 1.899 632 H MET 84 H MET 84 -6.901 2.853 -2.605 633 HA MET 84 HA MET 84 -5.996 5.544 -3.008 634 1HB MET 84 1HB MET 84 -4.320 4.487 -4.491 635 2HB MET 84 2HB MET 84 -4.380 3.963 -2.830 636 1HG MET 84 1HG MET 84 -5.956 2.077 -4.199 637 2HG MET 84 2HG MET 84 -4.627 2.430 -5.292 638 1HE MET 84 1HE MET 84 -2.146 2.478 -4.646 639 2HE MET 84 2HE MET 84 -1.994 2.935 -2.950 640 3HE MET 84 3HE MET 84 -1.464 1.338 -3.495 641 H THR 85 H THR 85 -8.039 3.379 -5.045 642 HA THR 85 HA THR 85 -8.103 5.282 -7.222 643 HB THR 85 HB THR 85 -10.172 3.144 -6.814 644 HG1 THR 85 HG1 THR 85 -8.418 2.018 -6.419 645 1HG2 THR 85 1HG2 THR 85 -10.245 4.587 -8.858 646 2HG2 THR 85 2HG2 THR 85 -8.603 4.043 -9.264 647 3HG2 THR 85 3HG2 THR 85 -9.944 2.876 -9.222 648 H GLY 86 H GLY 86 -9.175 5.597 -4.078 649 1HA GLY 86 1HA GLY 86 -10.449 7.149 -3.078 650 2HA GLY 86 2HA GLY 86 -10.501 7.978 -4.641 651 H LYS 87 H LYS 87 -11.923 4.834 -3.577 652 HA LYS 87 HA LYS 87 -14.539 5.630 -4.715 653 1HB LYS 87 1HB LYS 87 -13.507 3.290 -4.948 654 2HB LYS 87 2HB LYS 87 -13.884 3.085 -3.228 655 1HG LYS 87 1HG LYS 87 -16.304 3.578 -3.767 656 2HG LYS 87 2HG LYS 87 -15.849 3.702 -5.463 657 1HD LYS 87 2HD LYS 87 -15.071 1.318 -5.398 658 2HD LYS 87 1HD LYS 87 -16.808 1.536 -5.133 659 1HE LYS 87 1HE LYS 87 -14.779 1.215 -2.898 660 2HE LYS 87 2HE LYS 87 -16.526 1.313 -2.705 661 1HZ LYS 87 1HZ LYS 87 -15.272 -0.848 -4.286 662 2HZ LYS 87 2HZ LYS 87 -15.480 -0.978 -2.662 663 3HZ LYS 87 3HZ LYS 87 -16.777 -0.798 -3.648 664 H MET 88 H MET 88 -12.925 5.240 -1.543 665 HA MET 88 HA MET 88 -15.452 6.006 -0.186 666 1HB MET 88 1HB MET 88 -15.324 4.045 1.229 667 2HB MET 88 2HB MET 88 -15.409 3.577 -0.458 668 1HG MET 88 1HG MET 88 -13.031 3.065 -0.489 669 2HG MET 88 2HG MET 88 -12.806 3.708 1.124 670 1HE MET 88 1HE MET 88 -15.037 0.938 -0.755 671 2HE MET 88 2HE MET 88 -15.433 -0.110 0.620 672 3HE MET 88 3HE MET 88 -16.089 1.535 0.550 673 H ASN 89 H ASN 89 -14.846 5.658 2.370 674 HA ASN 89 HA ASN 89 -13.338 7.880 3.189 675 1HB ASN 89 1HB ASN 89 -15.139 6.595 4.468 676 2HB ASN 89 2HB ASN 89 -13.921 5.370 4.807 677 2HD2 ASN 89 1HD2 ASN 89 -14.589 8.901 5.137 678 1HD2 ASN 89 2HD2 ASN 89 -13.613 9.107 6.573 679 HA PRO 90 HA PRO 90 -9.507 5.934 2.090 680 1HB PRO 90 1HB PRO 90 -7.776 8.009 2.222 681 2HB PRO 90 2HB PRO 90 -9.170 8.011 1.118 682 1HG PRO 90 2HG PRO 90 -9.494 10.060 2.389 683 2HG PRO 90 1HG PRO 90 -9.045 9.225 3.911 684 1HD PRO 90 1HD PRO 90 -11.397 9.008 4.003 685 2HD PRO 90 2HD PRO 90 -11.526 8.879 2.220 686 H GLN 91 H GLN 91 -10.266 5.218 4.696 687 HA GLN 91 HA GLN 91 -7.676 4.391 5.660 688 1HB GLN 91 2HB GLN 91 -7.829 6.539 6.822 689 2HB GLN 91 1HB GLN 91 -7.847 5.200 7.955 690 1HG GLN 91 1HG GLN 91 -10.499 6.292 7.046 691 2HG GLN 91 2HG GLN 91 -10.063 5.583 8.601 692 2HE2 GLN 91 1HE2 GLN 91 -8.017 7.095 9.612 693 1HE2 GLN 91 2HE2 GLN 91 -8.368 8.816 9.497 694 H SER 92 H SER 92 -10.055 3.160 4.439 695 HA SER 92 HA SER 92 -12.001 2.404 6.159 696 1HB SER 92 1HB SER 92 -11.809 2.035 3.618 697 2HB SER 92 2HB SER 92 -11.173 0.432 4.068 698 HG SER 92 HG SER 92 -13.722 1.572 4.440 699 H ALA 93 H ALA 93 -8.790 0.733 5.937 700 HA ALA 93 HA ALA 93 -9.422 -1.584 7.282 701 1HB ALA 93 1HB ALA 93 -7.297 -0.854 6.044 702 2HB ALA 93 3HB ALA 93 -7.021 -1.726 7.518 703 3HB ALA 93 2HB ALA 93 -6.824 0.049 7.503 704 H PHE 94 H PHE 94 -8.852 1.682 8.559 705 HA PHE 94 HA PHE 94 -9.036 0.835 11.385 706 1HB PHE 94 1HB PHE 94 -7.340 2.510 10.953 707 2HB PHE 94 2HB PHE 94 -8.460 3.487 10.007 708 HD1 PHE 94 HD1 PHE 94 -10.200 4.871 11.078 709 HD2 PHE 94 HD2 PHE 94 -7.412 2.554 13.432 710 HE1 PHE 94 HE1 PHE 94 -10.973 6.013 13.120 711 HE2 PHE 94 HE2 PHE 94 -8.159 3.753 15.469 712 HZ PHE 94 HZ PHE 94 -9.957 5.470 15.317 713 H PHE 95 H PHE 95 -10.838 2.797 8.989 714 HA PHE 95 HA PHE 95 -12.839 3.696 10.780 715 1HB PHE 95 1HB PHE 95 -12.688 4.838 8.786 716 2HB PHE 95 2HB PHE 95 -12.550 3.403 7.821 717 HD1 PHE 95 HD1 PHE 95 -15.055 5.362 9.822 718 HD2 PHE 95 HD2 PHE 95 -14.384 2.559 6.606 719 HE1 PHE 95 HE1 PHE 95 -17.403 5.620 9.092 720 HE2 PHE 95 HE2 PHE 95 -16.739 2.828 5.889 721 HZ PHE 95 HZ PHE 95 -18.259 4.353 7.144 722 H GLN 96 H GLN 96 -12.772 0.703 8.753 723 HA GLN 96 HA GLN 96 -15.239 -0.326 9.950 724 1HB GLN 96 1HB GLN 96 -13.039 -1.451 8.122 725 2HB GLN 96 2HB GLN 96 -14.246 -2.470 8.866 726 1HG GLN 96 1HG GLN 96 -15.973 -0.705 7.913 727 2HG GLN 96 2HG GLN 96 -14.675 -0.387 6.761 728 2HE2 GLN 96 1HE2 GLN 96 -14.447 -1.895 5.034 729 1HE2 GLN 96 2HE2 GLN 96 -15.441 -3.342 4.959 730 H GLY 97 H GLY 97 -11.964 -0.090 11.038 731 1HA GLY 97 1HA GLY 97 -10.779 -1.048 12.747 732 2HA GLY 97 2HA GLY 97 -12.360 -1.395 13.461 733 H LYS 98 H LYS 98 -10.760 -2.674 10.513 734 HA LYS 98 HA LYS 98 -11.810 -5.322 10.986 735 1HB LYS 98 1HB LYS 98 -10.005 -4.021 8.937 736 2HB LYS 98 2HB LYS 98 -10.015 -5.770 9.004 737 1HG LYS 98 1HG LYS 98 -12.729 -4.498 8.959 738 2HG LYS 98 2HG LYS 98 -11.749 -4.274 7.528 739 1HD LYS 98 1HD LYS 98 -13.103 -6.273 7.237 740 2HD LYS 98 2HD LYS 98 -11.400 -6.694 7.294 741 1HE LYS 98 2HE LYS 98 -11.697 -7.332 9.740 742 2HE LYS 98 1HE LYS 98 -12.548 -8.350 8.569 743 1HZ LYS 98 1HZ LYS 98 -13.820 -6.150 10.076 744 2HZ LYS 98 2HZ LYS 98 -14.562 -7.196 9.037 745 3HZ LYS 98 3HZ LYS 98 -13.945 -7.710 10.479 746 H LEU 99 H LEU 99 -8.406 -4.785 10.378 747 HA LEU 99 HA LEU 99 -7.404 -5.206 12.937 748 1HB LEU 99 2HB LEU 99 -7.892 -7.539 12.844 749 2HB LEU 99 1HB LEU 99 -6.182 -7.239 12.758 750 HG LEU 99 HG LEU 99 -6.355 -7.666 10.210 751 1HD1 LEU 99 1HD1 LEU 99 -5.352 -9.164 11.832 752 2HD1 LEU 99 2HD1 LEU 99 -6.949 -9.888 12.162 753 3HD1 LEU 99 3HD1 LEU 99 -6.175 -10.036 10.557 754 1HD2 LEU 99 1HD2 LEU 99 -9.092 -8.671 11.003 755 2HD2 LEU 99 2HD2 LEU 99 -8.687 -7.498 9.749 756 3HD2 LEU 99 3HD2 LEU 99 -8.223 -9.180 9.547 757 H LYS 100 H LYS 100 -7.032 -3.157 11.475 758 HA LYS 100 HA LYS 100 -5.013 -3.470 9.435 759 1HB LYS 100 2HB LYS 100 -6.775 -1.725 9.621 760 2HB LYS 100 1HB LYS 100 -5.238 -1.191 9.093 761 1HG LYS 100 1HG LYS 100 -4.829 -0.288 11.476 762 2HG LYS 100 2HG LYS 100 -6.114 0.459 10.577 763 1HD LYS 100 1HD LYS 100 -7.347 0.294 12.344 764 2HD LYS 100 2HD LYS 100 -7.563 -1.421 12.047 765 1HE LYS 100 1HE LYS 100 -5.175 -0.431 13.629 766 2HE LYS 100 2HE LYS 100 -6.764 -0.213 14.356 767 1HZ LYS 100 1HZ LYS 100 -7.095 -2.623 14.251 768 2HZ LYS 100 2HZ LYS 100 -5.546 -2.796 13.622 769 3HZ LYS 100 3HZ LYS 100 -5.748 -2.200 15.082 770 H ILE 101 H ILE 101 -2.774 -2.708 9.622 771 HA ILE 101 HA ILE 101 -1.678 -2.661 12.340 772 HB ILE 101 HB ILE 101 -1.418 -4.767 10.268 773 1HG1 ILE 101 2HG1 ILE 101 -1.179 -4.712 13.270 774 2HG1 ILE 101 1HG1 ILE 101 -0.556 -6.082 12.349 775 1HG2 ILE 101 1HG2 ILE 101 0.809 -3.831 10.051 776 2HG2 ILE 101 2HG2 ILE 101 1.053 -3.984 11.833 777 3HG2 ILE 101 3HG2 ILE 101 0.845 -5.416 10.826 778 1HD1 ILE 101 1HD1 ILE 101 -2.812 -6.409 11.328 779 2HD1 ILE 101 2HD1 ILE 101 -2.679 -6.719 13.065 780 3HD1 ILE 101 3HD1 ILE 101 -3.438 -5.231 12.512 781 H THR 102 H THR 102 0.883 -2.124 11.860 782 HA THR 102 HA THR 102 1.224 0.010 9.921 783 HB THR 102 HB THR 102 1.648 1.631 11.936 784 HG1 THR 102 HG1 THR 102 0.114 1.180 13.664 785 1HG2 THR 102 1HG2 THR 102 -0.286 1.871 10.310 786 2HG2 THR 102 2HG2 THR 102 -1.288 0.987 11.475 787 3HG2 THR 102 3HG2 THR 102 -0.540 2.529 11.935 788 H GLY 103 H GLY 103 3.606 0.467 9.780 789 1HA GLY 103 1HA GLY 103 5.286 -1.380 11.360 790 2HA GLY 103 2HA GLY 103 5.803 -0.307 10.062 791 H ASN 104 H ASN 104 4.217 1.944 11.381 792 HA ASN 104 HA ASN 104 5.598 2.599 13.881 793 1HB ASN 104 1HB ASN 104 7.248 3.099 12.131 794 2HB ASN 104 2HB ASN 104 6.035 3.948 11.179 795 2HD2 ASN 104 1HD2 ASN 104 7.960 5.425 11.260 796 1HD2 ASN 104 2HD2 ASN 104 7.923 6.700 12.441 797 H MET 105 H MET 105 4.373 4.436 14.842 798 HA MET 105 HA MET 105 1.561 4.384 14.199 799 1HB MET 105 1HB MET 105 3.234 6.167 16.015 800 2HB MET 105 2HB MET 105 1.473 6.278 15.900 801 1HG MET 105 1HG MET 105 1.089 4.381 17.049 802 2HG MET 105 2HG MET 105 2.449 3.528 16.333 803 1HE MET 105 1HE MET 105 4.642 3.131 17.231 804 2HE MET 105 2HE MET 105 5.064 4.840 16.958 805 3HE MET 105 3HE MET 105 5.437 4.062 18.509 806 H GLY 106 H GLY 106 0.352 5.718 12.835 807 1HA GLY 106 1HA GLY 106 0.275 8.005 11.738 808 2HA GLY 106 2HA GLY 106 1.912 7.630 11.167 809 H LEU 107 H LEU 107 1.438 7.466 8.999 810 HA LEU 107 HA LEU 107 0.664 6.871 7.048 811 1HB LEU 107 1HB LEU 107 1.122 4.661 6.380 812 2HB LEU 107 2HB LEU 107 2.312 5.183 7.530 813 HG LEU 107 HG LEU 107 0.157 3.810 8.967 814 1HD1 LEU 107 1HD1 LEU 107 1.266 2.232 6.640 815 2HD1 LEU 107 2HD1 LEU 107 0.534 1.511 8.078 816 3HD1 LEU 107 3HD1 LEU 107 -0.448 2.547 7.057 817 1HD2 LEU 107 1HD2 LEU 107 3.055 3.154 8.403 818 2HD2 LEU 107 2HD2 LEU 107 2.448 4.153 9.721 819 3HD2 LEU 107 3HD2 LEU 107 2.076 2.422 9.690 820 H ALA 108 H ALA 108 -1.660 7.068 9.039 821 HA ALA 108 HA ALA 108 -3.720 5.392 7.878 822 1HB ALA 108 2HB ALA 108 -5.248 6.994 9.012 823 2HB ALA 108 3HB ALA 108 -4.024 6.294 10.093 824 3HB ALA 108 1HB ALA 108 -3.849 7.967 9.511 825 H MET 109 H MET 109 -3.341 8.969 7.637 826 HA MET 109 HA MET 109 -4.435 8.830 4.841 827 1HB MET 109 1HB MET 109 -6.015 9.376 6.798 828 2HB MET 109 2HB MET 109 -5.098 10.871 6.989 829 1HG MET 109 1HG MET 109 -5.701 11.312 4.493 830 2HG MET 109 2HG MET 109 -6.851 9.999 4.673 831 1HE MET 109 1HE MET 109 -9.107 10.189 5.993 832 2HE MET 109 2HE MET 109 -8.154 10.299 7.487 833 3HE MET 109 3HE MET 109 -9.464 11.458 7.177 834 H LYS 110 H LYS 110 -1.671 9.739 6.500 835 HA LYS 110 HA LYS 110 -1.429 12.492 5.599 836 1HB LYS 110 1HB LYS 110 -0.354 11.573 7.659 837 2HB LYS 110 2HB LYS 110 0.739 10.624 6.647 838 1HG LYS 110 1HG LYS 110 1.775 12.584 5.759 839 2HG LYS 110 2HG LYS 110 0.498 13.654 6.341 840 1HD LYS 110 1HD LYS 110 2.302 12.083 8.220 841 2HD LYS 110 2HD LYS 110 2.710 13.695 7.608 842 1HE LYS 110 1HE LYS 110 0.617 14.611 8.565 843 2HE LYS 110 2HE LYS 110 0.238 13.021 9.239 844 1HZ LYS 110 1HZ LYS 110 2.308 13.176 10.538 845 2HZ LYS 110 2HZ LYS 110 2.580 14.682 9.937 846 3HZ LYS 110 3HZ LYS 110 1.263 14.386 10.884 847 H LEU 111 H LEU 111 -0.480 9.360 4.218 848 HA LEU 111 HA LEU 111 1.123 10.718 2.136 849 1HB LEU 111 2HB LEU 111 1.999 8.662 3.038 850 2HB LEU 111 1HB LEU 111 1.725 8.554 1.321 851 HG LEU 111 HG LEU 111 -0.586 7.532 2.829 852 1HD1 LEU 111 1HD1 LEU 111 -0.024 7.129 0.405 853 2HD1 LEU 111 2HD1 LEU 111 1.233 6.021 0.971 854 3HD1 LEU 111 3HD1 LEU 111 -0.465 5.694 1.352 855 1HD2 LEU 111 1HD2 LEU 111 1.236 6.957 4.486 856 2HD2 LEU 111 2HD2 LEU 111 0.370 5.562 3.794 857 3HD2 LEU 111 3HD2 LEU 111 1.982 5.974 3.218 858 H GLN 112 H GLN 112 0.138 11.562 0.393 859 HA GLN 112 HA GLN 112 -2.467 10.407 -0.476 860 1HB GLN 112 1HB GLN 112 -1.779 13.134 -1.383 861 2HB GLN 112 2HB GLN 112 -3.323 12.405 -1.054 862 1HG GLN 112 1HG GLN 112 -3.109 12.833 1.313 863 2HG GLN 112 2HG GLN 112 -1.389 13.215 1.173 864 2HE2 GLN 112 1HE2 GLN 112 -1.040 15.382 1.451 865 1HE2 GLN 112 2HE2 GLN 112 -1.940 16.632 0.613 866 H ASN 113 H ASN 113 -0.096 12.472 -2.281 867 HA ASN 113 HA ASN 113 -0.447 11.063 -4.663 868 1HB ASN 113 1HB ASN 113 0.542 13.420 -4.149 869 2HB ASN 113 2HB ASN 113 2.081 12.610 -3.844 870 2HD2 ASN 113 1HD2 ASN 113 3.331 11.931 -5.717 871 1HD2 ASN 113 2HD2 ASN 113 2.761 12.200 -7.344 872 H LEU 114 H LEU 114 1.293 9.684 -2.073 873 HA LEU 114 HA LEU 114 3.129 8.085 -3.719 874 1HB LEU 114 1HB LEU 114 3.297 8.375 -1.169 875 2HB LEU 114 2HB LEU 114 1.871 7.352 -1.063 876 HG LEU 114 HG LEU 114 3.367 5.661 -2.513 877 1HD1 LEU 114 1HD1 LEU 114 5.310 7.234 -2.743 878 2HD1 LEU 114 2HD1 LEU 114 5.517 7.157 -0.972 879 3HD1 LEU 114 3HD1 LEU 114 5.719 5.702 -1.951 880 1HD2 LEU 114 1HD2 LEU 114 3.641 6.157 0.464 881 2HD2 LEU 114 2HD2 LEU 114 2.606 4.963 -0.355 882 3HD2 LEU 114 3HD2 LEU 114 4.350 4.767 -0.346 883 H GLN 115 H GLN 115 -0.323 8.092 -2.925 884 HA GLN 115 HA GLN 115 -0.709 5.400 -4.089 885 1HB GLN 115 1HB GLN 115 -2.375 5.020 -2.409 886 2HB GLN 115 2HB GLN 115 -0.837 5.357 -1.635 887 1HG GLN 115 1HG GLN 115 -1.612 7.565 -0.927 888 2HG GLN 115 2HG GLN 115 -3.017 7.492 -1.938 889 2HE2 GLN 115 1HE2 GLN 115 -2.734 7.796 1.069 890 1HE2 GLN 115 2HE2 GLN 115 -3.831 6.567 1.681 891 H LEU 116 H LEU 116 -0.885 7.327 -5.958 892 HA LEU 116 HA LEU 116 -1.971 8.795 -7.150 893 1HB LEU 116 1HB LEU 116 -4.113 7.694 -8.112 894 2HB LEU 116 2HB LEU 116 -2.515 7.080 -8.455 895 HG LEU 116 HG LEU 116 -4.159 5.923 -6.260 896 1HD1 LEU 116 1HD1 LEU 116 -5.499 5.726 -8.376 897 2HD1 LEU 116 2HD1 LEU 116 -4.101 4.942 -9.144 898 3HD1 LEU 116 3HD1 LEU 116 -4.943 4.139 -7.807 899 1HD2 LEU 116 1HD2 LEU 116 -1.676 5.151 -6.558 900 2HD2 LEU 116 2HD2 LEU 116 -2.933 3.932 -6.366 901 3HD2 LEU 116 3HD2 LEU 116 -2.293 4.288 -7.965 902 H GLN 117 H GLN 117 -4.248 10.040 -7.677 903 HA GLN 117 HA GLN 117 -4.878 11.222 -5.078 904 1HB GLN 117 2HB GLN 117 -4.973 13.192 -6.008 905 2HB GLN 117 1HB GLN 117 -5.491 12.641 -7.588 906 1HG GLN 117 1HG GLN 117 -2.656 12.124 -6.687 907 2HG GLN 117 2HG GLN 117 -3.301 12.236 -8.337 908 2HE2 GLN 117 1HE2 GLN 117 -1.169 13.824 -6.494 909 1HE2 GLN 117 2HE2 GLN 117 -1.634 15.493 -6.810 910 HA PRO 118 HA PRO 118 -9.085 9.867 -5.637 911 1HB PRO 118 1HB PRO 118 -10.358 11.166 -3.631 912 2HB PRO 118 2HB PRO 118 -9.067 9.982 -3.271 913 1HG PRO 118 1HG PRO 118 -8.822 12.990 -3.490 914 2HG PRO 118 2HG PRO 118 -8.265 11.964 -2.153 915 1HD PRO 118 1HD PRO 118 -6.608 12.762 -4.185 916 2HD PRO 118 2HD PRO 118 -6.436 11.169 -3.396 917 H GLY 119 H GLY 119 -11.388 11.045 -5.703 918 1HA GLY 119 1HA GLY 119 -12.742 12.730 -6.646 919 2HA GLY 119 2HA GLY 119 -11.304 13.505 -7.352 920 H ASN 120 H ASN 120 -13.284 10.503 -7.459 921 HA ASN 120 HA ASN 120 -12.793 10.250 -10.360 922 1HB ASN 120 1HB ASN 120 -11.050 8.818 -9.215 923 2HB ASN 120 2HB ASN 120 -12.342 7.958 -8.376 924 2HD2 ASN 120 1HD2 ASN 120 -11.084 8.782 -11.602 925 1HD2 ASN 120 2HD2 ASN 120 -11.727 7.411 -12.472 926 H ALA 121 H ALA 121 -14.538 9.261 -11.409 927 HA ALA 121 HA ALA 121 -16.548 7.773 -9.898 928 1HB ALA 121 1HB ALA 121 -17.217 10.395 -11.308 929 2HB ALA 121 2HB ALA 121 -18.411 9.223 -10.729 930 3HB ALA 121 3HB ALA 121 -17.372 10.049 -9.575 931 H LYS 122 H LYS 122 -16.166 9.486 -12.992 932 HA LYS 122 HA LYS 122 -16.696 8.967 -15.106 933 1HB LYS 122 1HB LYS 122 -14.400 7.970 -14.912 934 2HB LYS 122 2HB LYS 122 -15.161 6.394 -14.665 935 1HG LYS 122 1HG LYS 122 -16.336 6.655 -16.877 936 2HG LYS 122 2HG LYS 122 -15.524 8.204 -17.107 937 1HD LYS 122 1HD LYS 122 -13.378 7.161 -17.312 938 2HD LYS 122 2HD LYS 122 -13.973 5.637 -16.644 939 1HE LYS 122 1HE LYS 122 -13.634 5.450 -19.042 940 2HE LYS 122 2HE LYS 122 -15.318 5.177 -18.585 941 1HZ LYS 122 1HZ LYS 122 -14.245 7.694 -19.711 942 2HZ LYS 122 2HZ LYS 122 -15.080 6.570 -20.545 943 3HZ LYS 122 3HZ LYS 122 -15.835 7.393 -19.345 944 H LEU 123 H LEU 123 -18.823 8.914 -14.283 945 HA LEU 123 HA LEU 123 -20.899 8.263 -13.937 946 1HB LEU 123 1HB LEU 123 -20.138 6.185 -15.913 947 2HB LEU 123 2HB LEU 123 -21.274 5.613 -14.729 948 HG LEU 123 HG LEU 123 -22.373 6.434 -16.742 949 1HD1 LEU 123 1HD1 LEU 123 -23.556 6.461 -14.583 950 2HD1 LEU 123 2HD1 LEU 123 -23.060 8.150 -14.323 951 3HD1 LEU 123 3HD1 LEU 123 -24.108 7.720 -15.692 952 1HD2 LEU 123 1HD2 LEU 123 -20.876 8.198 -17.425 953 2HD2 LEU 123 2HD2 LEU 123 -22.525 8.810 -17.265 954 3HD2 LEU 123 3HD2 LEU 123 -21.336 9.196 -16.003 No H/Q in entry = 954 Start of MODEL 20 1 H SER 1 H SER 1 -3.137 -16.584 3.043 2 HA SER 1 HA SER 1 -0.557 -15.651 2.873 3 1HB SER 1 1HB SER 1 -0.725 -18.484 3.987 4 2HB SER 1 2HB SER 1 0.674 -17.883 3.085 5 HG SER 1 HG SER 1 -0.398 -16.494 5.288 6 H SER 2 H SER 2 -0.492 -15.592 0.642 7 HA SER 2 HA SER 2 -0.133 -18.093 -0.634 8 1HB SER 2 1HB SER 2 -2.732 -16.793 -1.122 9 2HB SER 2 2HB SER 2 -1.800 -16.937 -2.618 10 HG SER 2 HG SER 2 -1.830 -19.107 -2.440 11 H ALA 3 H ALA 3 0.518 -17.543 -3.066 12 HA ALA 3 HA ALA 3 1.468 -14.743 -3.317 13 1HB ALA 3 3HB ALA 3 3.351 -16.327 -3.589 14 2HB ALA 3 2HB ALA 3 2.925 -15.569 -5.135 15 3HB ALA 3 1HB ALA 3 2.413 -17.236 -4.801 16 H SER 4 H SER 4 0.615 -13.675 -5.107 17 HA SER 4 HA SER 4 -0.902 -15.134 -7.096 18 1HB SER 4 1HB SER 4 -2.610 -14.594 -5.347 19 2HB SER 4 2HB SER 4 -2.391 -12.872 -5.767 20 HG SER 4 HG SER 4 -2.796 -13.735 -8.028 21 H ASP 5 H ASP 5 -0.603 -11.692 -6.142 22 HA ASP 5 HA ASP 5 0.232 -9.871 -7.396 23 1HB ASP 5 1HB ASP 5 2.193 -10.826 -6.653 24 2HB ASP 5 2HB ASP 5 2.268 -11.987 -7.997 25 H GLY 6 H GLY 6 -1.886 -10.265 -8.521 26 1HA GLY 6 1HA GLY 6 -1.522 -9.624 -11.301 27 2HA GLY 6 2HA GLY 6 -2.102 -11.269 -11.134 28 H PHE 7 H PHE 7 -3.061 -8.939 -8.700 29 HA PHE 7 HA PHE 7 -5.876 -8.904 -9.616 30 1HB PHE 7 2HB PHE 7 -6.203 -7.638 -7.549 31 2HB PHE 7 1HB PHE 7 -4.465 -7.501 -7.336 32 HD1 PHE 7 HD1 PHE 7 -5.507 -10.872 -8.360 33 HD2 PHE 7 HD2 PHE 7 -4.974 -8.250 -4.970 34 HE1 PHE 7 HE1 PHE 7 -5.241 -12.804 -6.890 35 HE2 PHE 7 HE2 PHE 7 -4.819 -10.232 -3.482 36 HZ PHE 7 HZ PHE 7 -4.904 -12.507 -4.451 37 H LYS 8 H LYS 8 -6.869 -6.449 -9.598 38 HA LYS 8 HA LYS 8 -5.152 -4.914 -11.395 39 1HB LYS 8 1HB LYS 8 -7.872 -4.993 -11.030 40 2HB LYS 8 2HB LYS 8 -7.441 -3.532 -10.131 41 1HG LYS 8 1HG LYS 8 -7.538 -2.478 -12.123 42 2HG LYS 8 2HG LYS 8 -5.970 -3.212 -12.478 43 1HD LYS 8 1HD LYS 8 -7.330 -5.236 -13.384 44 2HD LYS 8 2HD LYS 8 -8.743 -4.160 -13.236 45 1HE LYS 8 1HE LYS 8 -7.557 -2.507 -14.718 46 2HE LYS 8 2HE LYS 8 -6.252 -3.682 -14.923 47 1HZ LYS 8 1HZ LYS 8 -7.876 -5.195 -15.935 48 2HZ LYS 8 2HZ LYS 8 -9.059 -4.044 -15.790 49 3HZ LYS 8 3HZ LYS 8 -7.762 -3.793 -16.737 50 H ALA 9 H ALA 9 -5.655 -5.154 -7.937 51 HA ALA 9 HA ALA 9 -4.426 -2.838 -6.979 52 1HB ALA 9 3HB ALA 9 -3.671 -4.247 -5.096 53 2HB ALA 9 2HB ALA 9 -3.991 -5.716 -6.018 54 3HB ALA 9 1HB ALA 9 -5.336 -4.663 -5.554 55 H ASN 10 H ASN 10 -2.961 -5.343 -9.004 56 HA ASN 10 HA ASN 10 -0.261 -4.986 -8.304 57 1HB ASN 10 1HB ASN 10 -1.229 -6.759 -9.810 58 2HB ASN 10 2HB ASN 10 -1.475 -5.523 -11.047 59 2HD2 ASN 10 1HD2 ASN 10 0.612 -7.976 -10.058 60 1HD2 ASN 10 2HD2 ASN 10 2.049 -7.410 -10.733 61 H LEU 11 H LEU 11 -2.338 -3.114 -10.577 62 HA LEU 11 HA LEU 11 -0.310 -1.408 -11.561 63 1HB LEU 11 2HB LEU 11 -2.117 -0.147 -12.419 64 2HB LEU 11 1HB LEU 11 -3.254 -0.734 -11.257 65 HG LEU 11 HG LEU 11 -3.744 -2.567 -12.461 66 1HD1 LEU 11 1HD1 LEU 11 -4.175 -0.561 -13.846 67 2HD1 LEU 11 2HD1 LEU 11 -2.588 -0.769 -14.637 68 3HD1 LEU 11 3HD1 LEU 11 -3.861 -1.999 -14.838 69 1HD2 LEU 11 1HD2 LEU 11 -0.958 -2.551 -13.704 70 2HD2 LEU 11 2HD2 LEU 11 -1.662 -3.810 -12.677 71 3HD2 LEU 11 3HD2 LEU 11 -2.281 -3.575 -14.299 72 H VAL 12 H VAL 12 -2.459 -1.266 -8.792 73 HA VAL 12 HA VAL 12 -1.971 1.467 -8.037 74 HB VAL 12 HB VAL 12 -3.299 -0.986 -6.879 75 1HG1 VAL 12 1HG1 VAL 12 -2.357 1.318 -5.248 76 2HG1 VAL 12 2HG1 VAL 12 -3.960 0.618 -4.898 77 3HG1 VAL 12 3HG1 VAL 12 -2.492 -0.389 -4.829 78 1HG2 VAL 12 1HG2 VAL 12 -4.515 0.414 -8.459 79 2HG2 VAL 12 2HG2 VAL 12 -5.241 0.506 -6.837 80 3HG2 VAL 12 3HG2 VAL 12 -4.235 1.845 -7.437 81 H PHE 13 H PHE 13 -0.764 -1.677 -6.644 82 HA PHE 13 HA PHE 13 1.087 -0.302 -4.943 83 1HB PHE 13 1HB PHE 13 1.037 -3.172 -5.943 84 2HB PHE 13 2HB PHE 13 2.085 -2.573 -4.660 85 HD1 PHE 13 HD1 PHE 13 0.209 -0.855 -3.048 86 HD2 PHE 13 HD2 PHE 13 -0.334 -4.725 -4.837 87 HE1 PHE 13 HE1 PHE 13 -1.414 -1.442 -1.292 88 HE2 PHE 13 HE2 PHE 13 -1.824 -5.392 -2.948 89 HZ PHE 13 HZ PHE 13 -2.370 -3.688 -1.176 90 H LYS 14 H LYS 14 1.274 -1.202 -8.331 91 HA LYS 14 HA LYS 14 4.155 -1.205 -8.515 92 1HB LYS 14 1HB LYS 14 2.762 -2.030 -10.370 93 2HB LYS 14 2HB LYS 14 1.981 -0.501 -10.544 94 1HG LYS 14 1HG LYS 14 4.254 0.576 -11.162 95 2HG LYS 14 2HG LYS 14 4.923 -1.028 -10.987 96 1HD LYS 14 1HD LYS 14 4.587 -0.798 -13.279 97 2HD LYS 14 2HD LYS 14 3.179 -1.761 -12.774 98 1HE LYS 14 1HE LYS 14 2.219 -0.137 -14.174 99 2HE LYS 14 2HE LYS 14 1.958 0.542 -12.572 100 1HZ LYS 14 1HZ LYS 14 4.054 1.832 -12.975 101 2HZ LYS 14 2HZ LYS 14 4.054 1.291 -14.529 102 3HZ LYS 14 3HZ LYS 14 2.817 2.225 -13.962 103 H GLU 15 H GLU 15 1.637 1.299 -9.194 104 HA GLU 15 HA GLU 15 3.342 3.410 -9.801 105 1HB GLU 15 1HB GLU 15 0.653 3.213 -8.535 106 2HB GLU 15 2HB GLU 15 1.514 4.716 -8.255 107 1HG GLU 15 1HG GLU 15 1.046 3.537 -11.009 108 2HG GLU 15 2HG GLU 15 0.006 4.710 -10.197 109 H ILE 16 H ILE 16 2.579 2.273 -6.481 110 HA ILE 16 HA ILE 16 3.925 4.310 -5.071 111 HB ILE 16 HB ILE 16 3.399 1.370 -4.399 112 1HG1 ILE 16 1HG1 ILE 16 1.835 3.906 -3.750 113 2HG1 ILE 16 2HG1 ILE 16 1.302 2.663 -4.855 114 1HG2 ILE 16 1HG2 ILE 16 5.199 2.323 -3.029 115 2HG2 ILE 16 2HG2 ILE 16 4.141 3.687 -2.595 116 3HG2 ILE 16 3HG2 ILE 16 3.760 2.017 -2.069 117 1HD1 ILE 16 1HD1 ILE 16 1.358 1.023 -2.912 118 2HD1 ILE 16 2HD1 ILE 16 1.510 2.442 -1.852 119 3HD1 ILE 16 3HD1 ILE 16 0.089 2.258 -2.890 120 H GLU 17 H GLU 17 5.036 1.117 -6.337 121 HA GLU 17 HA GLU 17 7.751 1.420 -5.623 122 1HB GLU 17 1HB GLU 17 6.830 -0.743 -6.258 123 2HB GLU 17 2HB GLU 17 6.422 -0.203 -7.818 124 1HG GLU 17 1HG GLU 17 8.352 -1.571 -7.996 125 2HG GLU 17 2HG GLU 17 8.753 0.065 -8.512 126 H LYS 18 H LYS 18 6.168 2.124 -8.764 127 HA LYS 18 HA LYS 18 8.495 2.726 -10.053 128 1HB LYS 18 1HB LYS 18 6.159 2.509 -11.080 129 2HB LYS 18 2HB LYS 18 5.860 4.190 -10.631 130 1HG LYS 18 1HG LYS 18 7.908 4.820 -12.003 131 2HG LYS 18 2HG LYS 18 7.995 3.115 -12.524 132 1HD LYS 18 1HD LYS 18 5.625 3.406 -13.391 133 2HD LYS 18 2HD LYS 18 5.785 5.126 -13.051 134 1HE LYS 18 1HE LYS 18 7.529 3.474 -14.945 135 2HE LYS 18 2HE LYS 18 6.221 4.569 -15.419 136 1HZ LYS 18 1HZ LYS 18 7.567 6.359 -14.298 137 2HZ LYS 18 2HZ LYS 18 8.830 5.296 -14.337 138 3HZ LYS 18 3HZ LYS 18 8.134 5.765 -15.727 139 H LYS 19 H LYS 19 6.531 4.837 -8.055 140 HA LYS 19 HA LYS 19 8.022 7.277 -8.494 141 1HB LYS 19 1HB LYS 19 5.550 6.745 -7.565 142 2HB LYS 19 2HB LYS 19 6.356 6.675 -6.019 143 1HG LYS 19 1HG LYS 19 5.460 8.872 -6.314 144 2HG LYS 19 2HG LYS 19 7.212 9.071 -6.512 145 1HD LYS 19 1HD LYS 19 7.012 9.361 -8.867 146 2HD LYS 19 2HD LYS 19 5.420 8.566 -8.901 147 1HE LYS 19 1HE LYS 19 4.390 10.453 -7.736 148 2HE LYS 19 2HE LYS 19 5.939 11.332 -7.778 149 1HZ LYS 19 1HZ LYS 19 4.488 10.350 -10.174 150 2HZ LYS 19 2HZ LYS 19 4.375 11.878 -9.635 151 3HZ LYS 19 3HZ LYS 19 5.823 11.326 -10.152 152 H LEU 20 H LEU 20 8.107 4.655 -5.990 153 HA LEU 20 HA LEU 20 10.162 5.728 -4.387 154 1HB LEU 20 1HB LEU 20 8.650 3.244 -4.658 155 2HB LEU 20 2HB LEU 20 10.323 2.848 -4.511 156 HG LEU 20 HG LEU 20 9.722 4.929 -2.564 157 1HD1 LEU 20 1HD1 LEU 20 7.374 4.247 -2.754 158 2HD1 LEU 20 2HD1 LEU 20 7.826 2.564 -2.419 159 3HD1 LEU 20 3HD1 LEU 20 8.058 3.817 -1.175 160 1HD2 LEU 20 1HD2 LEU 20 11.513 3.219 -2.497 161 2HD2 LEU 20 2HD2 LEU 20 10.572 3.324 -1.015 162 3HD2 LEU 20 3HD2 LEU 20 10.281 1.978 -2.148 163 H GLU 21 H GLU 21 10.363 3.634 -7.279 164 HA GLU 21 HA GLU 21 13.156 3.499 -7.308 165 1HB GLU 21 1HB GLU 21 11.324 3.439 -9.681 166 2HB GLU 21 2HB GLU 21 13.002 2.904 -9.690 167 1HG GLU 21 1HG GLU 21 10.904 1.670 -7.839 168 2HG GLU 21 2HG GLU 21 11.139 1.127 -9.486 169 H GLU 22 H GLU 22 11.067 6.125 -8.768 170 HA GLU 22 HA GLU 22 13.374 7.523 -9.804 171 1HB GLU 22 1HB GLU 22 10.558 8.441 -9.086 172 2HB GLU 22 2HB GLU 22 11.789 9.474 -9.811 173 1HG GLU 22 1HG GLU 22 11.870 7.242 -11.463 174 2HG GLU 22 2HG GLU 22 10.176 7.300 -11.022 175 H GLU 23 H GLU 23 11.535 8.010 -6.744 176 HA GLU 23 HA GLU 23 13.855 9.314 -5.597 177 1HB GLU 23 1HB GLU 23 12.576 11.016 -6.969 178 2HB GLU 23 2HB GLU 23 11.251 10.898 -5.809 179 1HG GLU 23 1HG GLU 23 12.713 11.557 -4.016 180 2HG GLU 23 2HG GLU 23 14.146 11.311 -5.008 181 H GLY 24 H GLY 24 13.121 6.964 -4.797 182 1HA GLY 24 1HA GLY 24 11.202 6.851 -2.751 183 2HA GLY 24 2HA GLY 24 12.505 5.702 -3.024 184 H GLU 25 H GLU 25 14.411 8.213 -2.705 185 HA GLU 25 HA GLU 25 15.267 7.262 -0.279 186 1HB GLU 25 2HB GLU 25 16.749 8.374 -1.736 187 2HB GLU 25 1HB GLU 25 16.838 9.066 -0.115 188 1HG GLU 25 1HG GLU 25 15.626 10.295 -2.634 189 2HG GLU 25 2HG GLU 25 15.444 11.017 -1.037 190 H GLN 26 H GLN 26 13.280 10.263 -0.814 191 HA GLN 26 HA GLN 26 13.088 10.893 1.963 192 1HB GLN 26 1HB GLN 26 12.893 12.368 -0.092 193 2HB GLN 26 2HB GLN 26 11.281 11.743 -0.340 194 1HG GLN 26 1HG GLN 26 11.805 12.711 2.423 195 2HG GLN 26 2HG GLN 26 11.973 13.943 1.189 196 2HE2 GLN 26 1HE2 GLN 26 9.663 11.273 1.702 197 1HE2 GLN 26 2HE2 GLN 26 8.422 12.151 0.855 198 H PHE 27 H PHE 27 11.256 8.731 -0.252 199 HA PHE 27 HA PHE 27 8.863 8.640 1.329 200 1HB PHE 27 1HB PHE 27 10.160 7.248 -1.006 201 2HB PHE 27 2HB PHE 27 9.046 6.282 -0.102 202 HD1 PHE 27 HD1 PHE 27 7.061 8.909 0.417 203 HD2 PHE 27 HD2 PHE 27 8.914 6.992 -2.997 204 HE1 PHE 27 HE1 PHE 27 5.350 9.815 -1.063 205 HE2 PHE 27 HE2 PHE 27 7.207 7.934 -4.445 206 HZ PHE 27 HZ PHE 27 5.371 9.334 -3.504 207 H VAL 28 H VAL 28 11.978 6.828 1.261 208 HA VAL 28 HA VAL 28 11.465 4.959 3.328 209 HB VAL 28 HB VAL 28 13.971 6.435 2.465 210 1HG1 VAL 28 1HG1 VAL 28 13.726 4.254 4.528 211 2HG1 VAL 28 2HG1 VAL 28 15.224 4.610 3.686 212 3HG1 VAL 28 3HG1 VAL 28 14.484 5.851 4.716 213 1HG2 VAL 28 1HG2 VAL 28 12.904 4.753 0.900 214 2HG2 VAL 28 2HG2 VAL 28 14.576 4.435 1.379 215 3HG2 VAL 28 3HG2 VAL 28 13.268 3.512 2.117 216 H LYS 29 H LYS 29 12.416 8.441 3.533 217 HA LYS 29 HA LYS 29 12.532 8.414 6.381 218 1HB LYS 29 1HB LYS 29 13.290 10.456 6.164 219 2HB LYS 29 2HB LYS 29 13.155 10.247 4.435 220 1HG LYS 29 2HG LYS 29 10.735 11.194 4.740 221 2HG LYS 29 1HG LYS 29 12.123 12.273 4.726 222 1HD LYS 29 1HD LYS 29 11.325 11.264 7.430 223 2HD LYS 29 2HD LYS 29 11.932 12.847 6.922 224 1HE LYS 29 1HE LYS 29 9.733 13.296 5.817 225 2HE LYS 29 2HE LYS 29 9.155 11.708 6.368 226 1HZ LYS 29 1HZ LYS 29 9.582 12.506 8.652 227 2HZ LYS 29 2HZ LYS 29 9.869 14.005 8.066 228 3HZ LYS 29 3HZ LYS 29 8.380 13.304 7.890 229 H LYS 30 H LYS 30 9.719 8.703 4.197 230 HA LYS 30 HA LYS 30 7.975 9.608 6.287 231 1HB LYS 30 1HB LYS 30 7.486 8.400 3.549 232 2HB LYS 30 2HB LYS 30 6.179 8.963 4.577 233 1HG LYS 30 1HG LYS 30 8.469 10.885 4.174 234 2HG LYS 30 2HG LYS 30 7.477 10.525 2.774 235 1HD LYS 30 1HD LYS 30 5.554 11.524 3.714 236 2HD LYS 30 2HD LYS 30 6.077 11.179 5.357 237 1HE LYS 30 2HE LYS 30 7.689 12.956 5.340 238 2HE LYS 30 1HE LYS 30 6.081 13.575 4.958 239 1HZ LYS 30 1HZ LYS 30 8.091 13.012 2.856 240 2HZ LYS 30 2HZ LYS 30 6.687 13.864 2.730 241 3HZ LYS 30 3HZ LYS 30 7.951 14.450 3.598 242 H ILE 31 H ILE 31 8.609 6.162 5.151 243 HA ILE 31 HA ILE 31 6.762 5.282 7.349 244 HB ILE 31 HB ILE 31 7.891 3.918 4.935 245 1HG1 ILE 31 1HG1 ILE 31 5.350 3.046 5.100 246 2HG1 ILE 31 2HG1 ILE 31 5.130 4.372 6.226 247 1HG2 ILE 31 1HG2 ILE 31 6.721 2.622 7.406 248 2HG2 ILE 31 2HG2 ILE 31 6.968 1.835 5.831 249 3HG2 ILE 31 3HG2 ILE 31 8.373 2.392 6.724 250 1HD1 ILE 31 1HD1 ILE 31 5.888 5.917 4.418 251 2HD1 ILE 31 2HD1 ILE 31 6.044 4.496 3.348 252 3HD1 ILE 31 3HD1 ILE 31 4.442 4.957 4.006 253 H GLY 32 H GLY 32 10.154 4.530 6.068 254 1HA GLY 32 1HA GLY 32 11.999 3.858 7.140 255 2HA GLY 32 2HA GLY 32 11.382 4.633 8.589 256 H GLY 33 H GLY 33 10.918 1.673 6.573 257 1HA GLY 33 1HA GLY 33 11.753 -0.270 8.184 258 2HA GLY 33 2HA GLY 33 10.214 0.042 8.963 259 H ILE 34 H ILE 34 11.128 -2.411 7.434 260 HA ILE 34 HA ILE 34 9.773 -2.314 4.848 261 HB ILE 34 HB ILE 34 10.793 -4.721 6.464 262 1HG1 ILE 34 2HG1 ILE 34 11.986 -3.177 4.130 263 2HG1 ILE 34 1HG1 ILE 34 12.413 -4.839 4.367 264 1HG2 ILE 34 1HG2 ILE 34 9.797 -4.581 3.576 265 2HG2 ILE 34 2HG2 ILE 34 10.520 -6.008 4.353 266 3HG2 ILE 34 3HG2 ILE 34 8.969 -5.402 4.907 267 1HD1 ILE 34 1HD1 ILE 34 13.272 -4.290 6.659 268 2HD1 ILE 34 2HD1 ILE 34 14.113 -3.445 5.347 269 3HD1 ILE 34 3HD1 ILE 34 12.947 -2.566 6.332 270 H PHE 35 H PHE 35 7.636 -2.985 4.433 271 HA PHE 35 HA PHE 35 6.224 -4.375 6.603 272 1HB PHE 35 2HB PHE 35 5.634 -2.028 6.878 273 2HB PHE 35 1HB PHE 35 4.252 -3.039 6.479 274 HD1 PHE 35 HD1 PHE 35 3.258 -2.900 4.191 275 HD2 PHE 35 HD2 PHE 35 6.421 -0.264 5.435 276 HE1 PHE 35 HE1 PHE 35 2.783 -1.435 2.293 277 HE2 PHE 35 HE2 PHE 35 5.821 1.308 3.586 278 HZ PHE 35 HZ PHE 35 4.000 0.720 2.007 279 H ALA 36 H ALA 36 4.173 -5.348 5.764 280 HA ALA 36 HA ALA 36 4.381 -6.113 2.874 281 1HB ALA 36 2HB ALA 36 3.156 -8.190 3.711 282 2HB ALA 36 1HB ALA 36 3.467 -7.624 5.352 283 3HB ALA 36 3HB ALA 36 4.829 -8.013 4.280 284 H PHE 37 H PHE 37 2.590 -5.776 1.598 285 HA PHE 37 HA PHE 37 0.108 -4.675 2.811 286 1HB PHE 37 1HB PHE 37 0.974 -5.171 -0.064 287 2HB PHE 37 2HB PHE 37 -0.627 -4.627 0.397 288 HD1 PHE 37 HD1 PHE 37 -0.350 -2.516 2.292 289 HD2 PHE 37 HD2 PHE 37 2.136 -3.442 -1.099 290 HE1 PHE 37 HE1 PHE 37 0.168 -0.137 2.016 291 HE2 PHE 37 HE2 PHE 37 2.674 -1.113 -1.388 292 HZ PHE 37 HZ PHE 37 1.692 0.628 0.142 293 H LYS 38 H LYS 38 -0.940 -6.489 3.885 294 HA LYS 38 HA LYS 38 -1.297 -8.928 2.281 295 1HB LYS 38 1HB LYS 38 -1.637 -8.255 5.080 296 2HB LYS 38 2HB LYS 38 -3.188 -8.798 4.460 297 1HG LYS 38 2HG LYS 38 -2.033 -10.804 3.490 298 2HG LYS 38 1HG LYS 38 -2.015 -10.736 5.257 299 1HD LYS 38 1HD LYS 38 0.328 -9.854 3.522 300 2HD LYS 38 2HD LYS 38 0.298 -10.103 5.273 301 1HE LYS 38 1HE LYS 38 -0.077 -12.487 4.992 302 2HE LYS 38 2HE LYS 38 -0.272 -12.302 3.239 303 1HZ LYS 38 1HZ LYS 38 2.226 -11.614 4.655 304 2HZ LYS 38 2HZ LYS 38 1.963 -13.078 3.952 305 3HZ LYS 38 3HZ LYS 38 1.979 -11.726 3.024 306 H VAL 39 H VAL 39 -2.551 -8.844 0.550 307 HA VAL 39 HA VAL 39 -5.207 -7.532 0.859 308 HB VAL 39 HB VAL 39 -3.279 -7.531 -1.523 309 1HG1 VAL 39 1HG1 VAL 39 -6.284 -7.037 -1.622 310 2HG1 VAL 39 2HG1 VAL 39 -5.146 -6.583 -2.907 311 3HG1 VAL 39 3HG1 VAL 39 -5.406 -8.276 -2.510 312 1HG2 VAL 39 1HG2 VAL 39 -4.992 -5.443 -0.135 313 2HG2 VAL 39 2HG2 VAL 39 -3.227 -5.601 0.021 314 3HG2 VAL 39 3HG2 VAL 39 -3.962 -5.125 -1.527 315 H LYS 40 H LYS 40 -6.431 -9.220 1.278 316 HA LYS 40 HA LYS 40 -6.486 -11.513 -0.595 317 1HB LYS 40 1HB LYS 40 -8.246 -12.351 1.144 318 2HB LYS 40 2HB LYS 40 -6.543 -12.561 1.436 319 1HG LYS 40 1HG LYS 40 -6.592 -10.478 2.916 320 2HG LYS 40 2HG LYS 40 -8.323 -10.386 2.661 321 1HD LYS 40 1HD LYS 40 -6.930 -12.816 3.844 322 2HD LYS 40 2HD LYS 40 -7.468 -11.462 4.806 323 1HE LYS 40 2HE LYS 40 -9.749 -12.178 3.270 324 2HE LYS 40 1HE LYS 40 -9.468 -12.346 5.013 325 1HZ LYS 40 1HZ LYS 40 -8.149 -14.485 4.066 326 2HZ LYS 40 2HZ LYS 40 -9.681 -14.497 4.576 327 3HZ LYS 40 3HZ LYS 40 -9.410 -14.382 2.984 328 H ASP 41 H ASP 41 -8.866 -12.056 -0.880 329 HA ASP 41 HA ASP 41 -10.798 -11.558 -1.994 330 1HB ASP 41 1HB ASP 41 -11.178 -10.766 0.390 331 2HB ASP 41 2HB ASP 41 -11.105 -9.167 -0.248 332 H GLY 42 H GLY 42 -9.109 -11.140 -3.664 333 1HA GLY 42 1HA GLY 42 -9.219 -8.447 -4.897 334 2HA GLY 42 2HA GLY 42 -8.167 -9.782 -5.361 335 HA PRO 43 HA PRO 43 -11.754 -9.460 -8.345 336 1HB PRO 43 1HB PRO 43 -10.292 -9.952 -10.648 337 2HB PRO 43 2HB PRO 43 -10.644 -8.365 -9.932 338 1HG PRO 43 1HG PRO 43 -8.126 -9.979 -9.725 339 2HG PRO 43 2HG PRO 43 -8.322 -8.201 -9.843 340 1HD PRO 43 1HD PRO 43 -7.824 -9.579 -7.501 341 2HD PRO 43 2HD PRO 43 -8.651 -8.003 -7.558 342 H GLY 44 H GLY 44 -10.113 -11.983 -7.031 343 1HA GLY 44 1HA GLY 44 -12.272 -13.714 -7.850 344 2HA GLY 44 2HA GLY 44 -10.706 -14.346 -8.348 345 H GLY 45 H GLY 45 -9.904 -12.751 -5.493 346 1HA GLY 45 1HA GLY 45 -10.814 -13.024 -3.289 347 2HA GLY 45 2HA GLY 45 -11.454 -14.583 -3.729 348 H LYS 46 H LYS 46 -8.383 -14.203 -5.002 349 HA LYS 46 HA LYS 46 -7.083 -16.109 -3.220 350 1HB LYS 46 1HB LYS 46 -6.106 -14.359 -5.479 351 2HB LYS 46 2HB LYS 46 -5.127 -15.645 -4.742 352 1HG LYS 46 1HG LYS 46 -6.988 -17.275 -5.447 353 2HG LYS 46 2HG LYS 46 -7.675 -15.936 -6.387 354 1HD LYS 46 1HD LYS 46 -5.392 -15.744 -7.543 355 2HD LYS 46 2HD LYS 46 -4.984 -17.301 -6.782 356 1HE LYS 46 1HE LYS 46 -6.992 -18.326 -7.852 357 2HE LYS 46 2HE LYS 46 -7.387 -16.778 -8.573 358 1HZ LYS 46 1HZ LYS 46 -4.996 -17.021 -9.586 359 2HZ LYS 46 2HZ LYS 46 -5.232 -18.626 -9.284 360 3HZ LYS 46 3HZ LYS 46 -6.299 -17.836 -10.224 361 H GLU 47 H GLU 47 -4.580 -15.199 -2.742 362 HA GLU 47 HA GLU 47 -4.774 -12.567 -1.423 363 1HB GLU 47 1HB GLU 47 -4.577 -14.619 0.190 364 2HB GLU 47 2HB GLU 47 -2.947 -14.793 -0.466 365 1HG GLU 47 1HG GLU 47 -2.811 -12.195 0.029 366 2HG GLU 47 2HG GLU 47 -4.141 -12.539 1.094 367 H ALA 48 H ALA 48 -3.095 -11.230 -1.855 368 HA ALA 48 HA ALA 48 -0.717 -12.182 -3.362 369 1HB ALA 48 2HB ALA 48 -2.064 -9.492 -3.665 370 2HB ALA 48 1HB ALA 48 -2.114 -10.818 -4.853 371 3HB ALA 48 3HB ALA 48 -0.566 -10.065 -4.452 372 H THR 49 H THR 49 1.193 -10.693 -2.670 373 HA THR 49 HA THR 49 0.624 -8.690 -0.699 374 HB THR 49 HB THR 49 2.605 -10.943 -0.073 375 HG1 THR 49 HG1 THR 49 0.235 -11.016 0.506 376 1HG2 THR 49 1HG2 THR 49 2.202 -8.289 1.371 377 2HG2 THR 49 2HG2 THR 49 3.099 -9.680 2.036 378 3HG2 THR 49 3HG2 THR 49 3.675 -8.848 0.597 379 H TRP 50 H TRP 50 2.232 -7.077 -0.713 380 HA TRP 50 HA TRP 50 4.422 -7.261 -2.748 381 1HB TRP 50 1HB TRP 50 2.227 -5.245 -2.231 382 2HB TRP 50 2HB TRP 50 3.853 -4.595 -2.386 383 HD1 TRP 50 HD1 TRP 50 4.627 -4.108 -4.876 384 HE1 TRP 50 HE1 TRP 50 3.634 -4.482 -7.146 385 HE3 TRP 50 HE3 TRP 50 0.763 -7.106 -3.458 386 HZ2 TRP 50 HZ2 TRP 50 1.617 -6.246 -8.262 387 HZ3 TRP 50 HZ3 TRP 50 -0.820 -7.945 -5.131 388 HH2 TRP 50 HH2 TRP 50 -0.364 -7.572 -7.597 389 H VAL 51 H VAL 51 6.445 -6.724 -1.627 390 HA VAL 51 HA VAL 51 6.169 -6.170 1.303 391 HB VAL 51 HB VAL 51 8.524 -7.327 -0.244 392 1HG1 VAL 51 1HG1 VAL 51 7.976 -7.074 2.748 393 2HG1 VAL 51 2HG1 VAL 51 9.366 -7.914 2.027 394 3HG1 VAL 51 3HG1 VAL 51 9.181 -6.162 1.809 395 1HG2 VAL 51 1HG2 VAL 51 6.477 -8.813 1.454 396 2HG2 VAL 51 2HG2 VAL 51 6.754 -9.009 -0.294 397 3HG2 VAL 51 3HG2 VAL 51 8.004 -9.483 0.868 398 H VAL 52 H VAL 52 6.532 -3.980 1.740 399 HA VAL 52 HA VAL 52 7.827 -2.379 -0.389 400 HB VAL 52 HB VAL 52 6.208 -1.560 2.016 401 1HG1 VAL 52 1HG1 VAL 52 7.393 0.064 -0.292 402 2HG1 VAL 52 2HG1 VAL 52 6.212 0.701 0.860 403 3HG1 VAL 52 3HG1 VAL 52 7.812 0.173 1.404 404 1HG2 VAL 52 1HG2 VAL 52 4.810 -2.655 0.243 405 2HG2 VAL 52 2HG2 VAL 52 4.455 -0.931 0.427 406 3HG2 VAL 52 3HG2 VAL 52 5.414 -1.458 -0.929 407 H ASP 53 H ASP 53 10.083 -2.466 -0.116 408 HA ASP 53 HA ASP 53 11.086 -2.203 2.622 409 1HB ASP 53 1HB ASP 53 12.405 -3.414 0.689 410 2HB ASP 53 2HB ASP 53 12.859 -1.790 0.231 411 H VAL 54 H VAL 54 11.003 -0.321 3.508 412 HA VAL 54 HA VAL 54 11.778 2.042 1.996 413 HB VAL 54 HB VAL 54 9.976 3.370 3.385 414 1HG1 VAL 54 1HG1 VAL 54 9.286 1.867 0.854 415 2HG1 VAL 54 2HG1 VAL 54 8.333 3.193 1.556 416 3HG1 VAL 54 3HG1 VAL 54 9.999 3.487 1.050 417 1HG2 VAL 54 1HG2 VAL 54 8.648 0.616 3.312 418 2HG2 VAL 54 2HG2 VAL 54 9.122 1.574 4.713 419 3HG2 VAL 54 3HG2 VAL 54 7.839 2.158 3.608 420 H LYS 55 H LYS 55 13.411 0.535 3.369 421 HA LYS 55 HA LYS 55 14.195 2.410 5.520 422 1HB LYS 55 1HB LYS 55 13.009 0.279 6.452 423 2HB LYS 55 2HB LYS 55 14.450 -0.587 5.936 424 1HG LYS 55 1HG LYS 55 15.411 1.695 7.321 425 2HG LYS 55 2HG LYS 55 14.015 1.191 8.268 426 1HD LYS 55 1HD LYS 55 16.313 -0.631 7.399 427 2HD LYS 55 2HD LYS 55 16.285 0.237 8.924 428 1HE LYS 55 1HE LYS 55 14.042 -1.674 8.167 429 2HE LYS 55 2HE LYS 55 15.560 -2.242 8.886 430 1HZ LYS 55 1HZ LYS 55 15.155 -0.787 10.778 431 2HZ LYS 55 2HZ LYS 55 13.668 -0.378 10.171 432 3HZ LYS 55 3HZ LYS 55 13.998 -1.914 10.596 433 H ASN 56 H ASN 56 15.058 -0.410 3.456 434 HA ASN 56 HA ASN 56 17.953 -0.035 3.872 435 1HB ASN 56 1HB ASN 56 16.152 -1.912 2.278 436 2HB ASN 56 2HB ASN 56 17.795 -1.715 1.818 437 2HD2 ASN 56 1HD2 ASN 56 15.721 -3.054 4.200 438 1HD2 ASN 56 2HD2 ASN 56 16.980 -3.902 5.128 439 H GLY 57 H GLY 57 19.105 1.448 2.576 440 1HA GLY 57 1HA GLY 57 19.655 2.757 0.841 441 2HA GLY 57 2HA GLY 57 18.855 1.617 -0.176 442 H LYS 58 H LYS 58 17.721 3.033 -1.499 443 HA LYS 58 HA LYS 58 16.171 5.193 -0.358 444 1HB LYS 58 2HB LYS 58 15.995 6.081 -2.442 445 2HB LYS 58 1HB LYS 58 15.995 4.591 -3.226 446 1HG LYS 58 1HG LYS 58 18.479 4.452 -2.745 447 2HG LYS 58 2HG LYS 58 17.864 5.499 -4.008 448 1HD LYS 58 1HD LYS 58 18.331 7.477 -2.828 449 2HD LYS 58 2HD LYS 58 18.595 6.589 -1.291 450 1HE LYS 58 1HE LYS 58 20.503 5.404 -2.400 451 2HE LYS 58 2HE LYS 58 20.300 6.401 -3.836 452 1HZ LYS 58 1HZ LYS 58 20.950 7.426 -1.124 453 2HZ LYS 58 2HZ LYS 58 22.028 7.174 -2.320 454 3HZ LYS 58 3HZ LYS 58 20.878 8.341 -2.497 455 H GLY 59 H GLY 59 15.584 1.864 -0.475 456 1HA GLY 59 1HA GLY 59 13.619 0.913 -0.017 457 2HA GLY 59 2HA GLY 59 12.746 2.392 -0.450 458 H SER 60 H SER 60 12.067 -0.189 -1.311 459 HA SER 60 HA SER 60 11.344 0.312 -3.931 460 1HB SER 60 1HB SER 60 13.283 -2.040 -3.567 461 2HB SER 60 2HB SER 60 12.234 -1.932 -4.939 462 HG SER 60 HG SER 60 13.320 -0.005 -5.575 463 H VAL 61 H VAL 61 9.517 -0.861 -4.246 464 HA VAL 61 HA VAL 61 8.518 -2.718 -2.212 465 HB VAL 61 HB VAL 61 7.130 -2.124 -4.802 466 1HG1 VAL 61 1HG1 VAL 61 6.231 -3.060 -2.081 467 2HG1 VAL 61 2HG1 VAL 61 5.126 -2.610 -3.407 468 3HG1 VAL 61 3HG1 VAL 61 6.272 -3.946 -3.593 469 1HG2 VAL 61 1HG2 VAL 61 6.857 -0.384 -2.320 470 2HG2 VAL 61 2HG2 VAL 61 7.547 0.118 -3.867 471 3HG2 VAL 61 3HG2 VAL 61 5.847 -0.300 -3.785 472 H LEU 62 H LEU 62 9.149 -4.657 -2.345 473 HA LEU 62 HA LEU 62 10.327 -5.844 -4.786 474 1HB LEU 62 1HB LEU 62 9.972 -6.749 -1.911 475 2HB LEU 62 2HB LEU 62 10.877 -7.624 -3.143 476 HG LEU 62 HG LEU 62 11.822 -4.816 -2.734 477 1HD1 LEU 62 1HD1 LEU 62 11.874 -6.707 -0.340 478 2HD1 LEU 62 2HD1 LEU 62 12.872 -5.236 -0.524 479 3HD1 LEU 62 3HD1 LEU 62 11.126 -5.099 -0.445 480 1HD2 LEU 62 1HD2 LEU 62 13.154 -7.529 -2.628 481 2HD2 LEU 62 2HD2 LEU 62 13.069 -6.418 -4.012 482 3HD2 LEU 62 3HD2 LEU 62 13.994 -5.940 -2.579 483 HA PRO 63 HA PRO 63 6.087 -7.589 -5.037 484 1HB PRO 63 1HB PRO 63 6.213 -8.792 -7.476 485 2HB PRO 63 2HB PRO 63 6.069 -7.025 -7.288 486 1HG PRO 63 1HG PRO 63 8.584 -8.620 -7.806 487 2HG PRO 63 2HG PRO 63 8.036 -7.124 -8.625 488 1HD PRO 63 1HD PRO 63 9.850 -7.059 -6.571 489 2HD PRO 63 2HD PRO 63 8.620 -5.779 -6.780 490 H ASN 64 H ASN 64 5.431 -9.516 -4.202 491 HA ASN 64 HA ASN 64 5.735 -11.241 -2.822 492 1HB ASN 64 2HB ASN 64 5.613 -13.262 -3.896 493 2HB ASN 64 1HB ASN 64 6.709 -12.792 -5.205 494 2HD2 ASN 64 1HD2 ASN 64 5.028 -13.754 -6.577 495 1HD2 ASN 64 2HD2 ASN 64 3.748 -12.674 -7.129 496 H SER 65 H SER 65 7.933 -9.767 -2.239 497 HA SER 65 HA SER 65 10.359 -11.293 -2.554 498 1HB SER 65 1HB SER 65 9.732 -8.791 -1.503 499 2HB SER 65 2HB SER 65 10.134 -9.702 -0.059 500 HG SER 65 HG SER 65 11.742 -9.541 -2.410 501 H ASP 66 H ASP 66 11.180 -12.882 -1.270 502 HA ASP 66 HA ASP 66 9.306 -14.250 0.552 503 1HB ASP 66 1HB ASP 66 11.545 -15.108 -1.141 504 2HB ASP 66 2HB ASP 66 11.746 -15.641 0.523 505 H LYS 67 H LYS 67 11.725 -11.818 0.713 506 HA LYS 67 HA LYS 67 12.689 -12.303 3.378 507 1HB LYS 67 1HB LYS 67 11.920 -9.591 2.219 508 2HB LYS 67 2HB LYS 67 13.014 -9.913 3.567 509 1HG LYS 67 1HG LYS 67 14.466 -11.210 1.830 510 2HG LYS 67 2HG LYS 67 13.431 -10.431 0.612 511 1HD LYS 67 1HD LYS 67 14.043 -8.200 1.932 512 2HD LYS 67 2HD LYS 67 15.363 -9.182 2.584 513 1HE LYS 67 2HE LYS 67 16.041 -9.733 0.207 514 2HE LYS 67 1HE LYS 67 16.226 -8.041 0.676 515 1HZ LYS 67 1HZ LYS 67 14.094 -7.589 -0.418 516 2HZ LYS 67 2HZ LYS 67 15.260 -8.118 -1.430 517 3HZ LYS 67 3HZ LYS 67 14.028 -9.137 -0.972 518 H LYS 68 H LYS 68 11.740 -11.809 5.390 519 HA LYS 68 HA LYS 68 8.822 -11.570 5.410 520 1HB LYS 68 2HB LYS 68 9.952 -13.016 7.013 521 2HB LYS 68 1HB LYS 68 9.014 -11.777 7.802 522 1HG LYS 68 1HG LYS 68 11.793 -10.864 7.462 523 2HG LYS 68 2HG LYS 68 10.787 -10.957 8.895 524 1HD LYS 68 1HD LYS 68 12.606 -12.424 9.360 525 2HD LYS 68 2HD LYS 68 11.264 -13.499 8.935 526 1HE LYS 68 1HE LYS 68 12.147 -13.383 6.527 527 2HE LYS 68 2HE LYS 68 13.589 -12.590 7.166 528 1HZ LYS 68 1HZ LYS 68 12.646 -15.314 7.838 529 2HZ LYS 68 2HZ LYS 68 13.891 -14.939 6.862 530 3HZ LYS 68 3HZ LYS 68 14.024 -14.581 8.459 531 H ALA 69 H ALA 69 8.228 -9.844 7.235 532 HA ALA 69 HA ALA 69 9.456 -7.217 6.573 533 1HB ALA 69 1HB ALA 69 7.420 -7.523 5.179 534 2HB ALA 69 3HB ALA 69 7.193 -6.273 6.417 535 3HB ALA 69 2HB ALA 69 6.473 -7.878 6.649 536 H ASP 70 H ASP 70 9.002 -5.582 8.233 537 HA ASP 70 HA ASP 70 9.355 -6.696 10.897 538 1HB ASP 70 1HB ASP 70 9.575 -4.102 9.534 539 2HB ASP 70 2HB ASP 70 8.701 -3.920 11.044 540 H CYS 71 H CYS 71 6.713 -5.392 8.983 541 HA CYS 71 HA CYS 71 4.642 -5.932 10.965 542 1HB CYS 71 1HB CYS 71 3.903 -3.542 10.823 543 2HB CYS 71 2HB CYS 71 5.422 -3.762 11.669 544 H THR 72 H THR 72 2.437 -5.016 9.769 545 HA THR 72 HA THR 72 2.580 -5.581 6.884 546 HB THR 72 HB THR 72 1.031 -7.275 8.888 547 HG1 THR 72 HG1 THR 72 3.063 -8.042 8.760 548 1HG2 THR 72 1HG2 THR 72 0.961 -7.383 5.830 549 2HG2 THR 72 2HG2 THR 72 0.504 -8.718 6.892 550 3HG2 THR 72 3HG2 THR 72 -0.412 -7.241 6.961 551 H ILE 73 H ILE 73 -0.073 -5.507 6.221 552 HA ILE 73 HA ILE 73 -1.570 -3.969 8.129 553 HB ILE 73 HB ILE 73 -0.242 -2.393 6.381 554 1HG1 ILE 73 1HG1 ILE 73 -2.986 -2.196 7.509 555 2HG1 ILE 73 2HG1 ILE 73 -1.484 -1.455 8.013 556 1HG2 ILE 73 1HG2 ILE 73 -1.087 -3.667 4.421 557 2HG2 ILE 73 2HG2 ILE 73 -2.720 -3.069 4.781 558 3HG2 ILE 73 3HG2 ILE 73 -1.431 -1.932 4.353 559 1HD1 ILE 73 1HD1 ILE 73 -1.577 0.042 5.996 560 2HD1 ILE 73 2HD1 ILE 73 -3.172 -0.641 5.611 561 3HD1 ILE 73 3HD1 ILE 73 -2.933 0.263 7.112 562 H THR 74 H THR 74 -4.007 -4.415 7.632 563 HA THR 74 HA THR 74 -4.421 -6.457 5.490 564 HB THR 74 HB THR 74 -5.720 -6.202 8.238 565 HG1 THR 74 HG1 THR 74 -4.785 -8.118 8.707 566 1HG2 THR 74 1HG2 THR 74 -7.405 -6.966 6.641 567 2HG2 THR 74 2HG2 THR 74 -6.326 -8.291 6.126 568 3HG2 THR 74 3HG2 THR 74 -6.981 -8.235 7.775 569 H MET 75 H MET 75 -6.130 -5.751 4.044 570 HA MET 75 HA MET 75 -8.153 -4.069 5.271 571 1HB MET 75 1HB MET 75 -6.012 -2.687 3.911 572 2HB MET 75 2HB MET 75 -7.476 -2.478 2.970 573 1HG MET 75 1HG MET 75 -8.437 -1.147 4.550 574 2HG MET 75 2HG MET 75 -7.888 -2.147 5.891 575 1HE MET 75 1HE MET 75 -6.123 0.036 3.093 576 2HE MET 75 2HE MET 75 -7.365 1.052 3.832 577 3HE MET 75 3HE MET 75 -5.651 1.448 4.079 578 H ALA 76 H ALA 76 -7.004 -5.304 2.210 579 HA ALA 76 HA ALA 76 -8.020 -7.127 1.032 580 1HB ALA 76 1HB ALA 76 -10.159 -7.168 2.394 581 2HB ALA 76 3HB ALA 76 -10.396 -7.254 0.636 582 3HB ALA 76 2HB ALA 76 -10.698 -5.735 1.461 583 H ASP 77 H ASP 77 -8.707 -7.042 -1.222 584 HA ASP 77 HA ASP 77 -7.544 -4.837 -2.549 585 1HB ASP 77 1HB ASP 77 -8.181 -7.330 -3.246 586 2HB ASP 77 2HB ASP 77 -9.581 -6.552 -3.941 587 H SER 78 H SER 78 -10.944 -5.737 -2.030 588 HA SER 78 HA SER 78 -12.015 -3.624 -3.668 589 1HB SER 78 1HB SER 78 -13.291 -5.641 -2.838 590 2HB SER 78 2HB SER 78 -13.462 -4.824 -1.271 591 HG SER 78 HG SER 78 -14.441 -3.086 -2.517 592 H ASP 79 H ASP 79 -10.588 -3.512 -0.503 593 HA ASP 79 HA ASP 79 -11.634 -0.746 -0.009 594 1HB ASP 79 1HB ASP 79 -11.438 -2.016 1.970 595 2HB ASP 79 2HB ASP 79 -9.856 -2.644 1.564 596 H PHE 80 H PHE 80 -8.384 -2.281 -0.195 597 HA PHE 80 HA PHE 80 -6.858 -0.062 -0.406 598 1HB PHE 80 1HB PHE 80 -6.513 -2.830 -1.514 599 2HB PHE 80 2HB PHE 80 -5.376 -1.609 -2.032 600 HD1 PHE 80 HD1 PHE 80 -3.723 -0.627 -0.558 601 HD2 PHE 80 HD2 PHE 80 -6.412 -3.667 0.832 602 HE1 PHE 80 HE1 PHE 80 -2.082 -1.304 1.121 603 HE2 PHE 80 HE2 PHE 80 -4.701 -4.431 2.477 604 HZ PHE 80 HZ PHE 80 -2.502 -3.363 2.549 605 H LEU 81 H LEU 81 -8.273 -1.748 -3.201 606 HA LEU 81 HA LEU 81 -7.189 -0.115 -5.251 607 1HB LEU 81 1HB LEU 81 -8.376 -2.368 -5.494 608 2HB LEU 81 2HB LEU 81 -9.891 -1.550 -5.245 609 HG LEU 81 HG LEU 81 -8.981 0.000 -7.269 610 1HD1 LEU 81 1HD1 LEU 81 -6.784 -1.191 -7.453 611 2HD1 LEU 81 2HD1 LEU 81 -7.640 -2.703 -7.802 612 3HD1 LEU 81 3HD1 LEU 81 -7.743 -1.330 -8.936 613 1HD2 LEU 81 1HD2 LEU 81 -10.204 -2.769 -7.577 614 2HD2 LEU 81 2HD2 LEU 81 -11.075 -1.247 -7.297 615 3HD2 LEU 81 3HD2 LEU 81 -10.215 -1.481 -8.827 616 H ALA 82 H ALA 82 -10.469 -0.078 -3.842 617 HA ALA 82 HA ALA 82 -11.371 2.273 -5.138 618 1HB ALA 82 2HB ALA 82 -13.088 2.395 -3.221 619 2HB ALA 82 3HB ALA 82 -13.043 0.867 -4.095 620 3HB ALA 82 1HB ALA 82 -12.251 0.992 -2.507 621 H LEU 83 H LEU 83 -9.654 1.874 -2.109 622 HA LEU 83 HA LEU 83 -9.950 4.244 -0.815 623 1HB LEU 83 1HB LEU 83 -8.629 2.087 -0.217 624 2HB LEU 83 2HB LEU 83 -7.273 2.831 -1.051 625 HG LEU 83 HG LEU 83 -7.516 4.780 0.609 626 1HD1 LEU 83 1HD1 LEU 83 -9.284 2.707 2.021 627 2HD1 LEU 83 2HD1 LEU 83 -8.683 4.226 2.739 628 3HD1 LEU 83 3HD1 LEU 83 -9.821 4.280 1.393 629 1HD2 LEU 83 1HD2 LEU 83 -6.893 1.931 1.536 630 2HD2 LEU 83 2HD2 LEU 83 -5.764 3.103 0.803 631 3HD2 LEU 83 3HD2 LEU 83 -6.415 3.404 2.420 632 H MET 84 H MET 84 -7.000 3.690 -2.898 633 HA MET 84 HA MET 84 -6.721 6.550 -3.274 634 1HB MET 84 1HB MET 84 -4.814 5.964 -4.621 635 2HB MET 84 2HB MET 84 -4.739 5.239 -3.018 636 1HG MET 84 1HG MET 84 -5.088 3.048 -3.866 637 2HG MET 84 2HG MET 84 -5.755 3.659 -5.382 638 1HE MET 84 1HE MET 84 -2.491 2.768 -3.426 639 2HE MET 84 2HE MET 84 -1.222 3.461 -4.460 640 3HE MET 84 3HE MET 84 -2.235 4.516 -3.466 641 H THR 85 H THR 85 -8.038 3.833 -5.303 642 HA THR 85 HA THR 85 -8.010 5.394 -7.704 643 HB THR 85 HB THR 85 -9.488 2.806 -7.184 644 HG1 THR 85 HG1 THR 85 -7.511 2.337 -6.550 645 1HG2 THR 85 1HG2 THR 85 -8.167 3.903 -9.678 646 2HG2 THR 85 2HG2 THR 85 -8.827 2.260 -9.510 647 3HG2 THR 85 3HG2 THR 85 -9.906 3.650 -9.443 648 H GLY 86 H GLY 86 -9.518 6.532 -5.391 649 1HA GLY 86 1HA GLY 86 -11.286 7.914 -5.110 650 2HA GLY 86 2HA GLY 86 -11.322 7.950 -6.873 651 H LYS 87 H LYS 87 -11.988 4.885 -5.311 652 HA LYS 87 HA LYS 87 -14.735 5.101 -6.433 653 1HB LYS 87 1HB LYS 87 -12.938 3.335 -7.171 654 2HB LYS 87 2HB LYS 87 -13.428 2.507 -5.710 655 1HG LYS 87 1HG LYS 87 -15.862 3.245 -7.032 656 2HG LYS 87 2HG LYS 87 -14.777 2.647 -8.283 657 1HD LYS 87 1HD LYS 87 -14.395 0.577 -6.960 658 2HD LYS 87 2HD LYS 87 -15.446 1.212 -5.677 659 1HE LYS 87 1HE LYS 87 -17.349 1.299 -7.229 660 2HE LYS 87 2HE LYS 87 -16.336 0.724 -8.565 661 1HZ LYS 87 1HZ LYS 87 -16.812 -0.791 -6.084 662 2HZ LYS 87 2HZ LYS 87 -17.669 -0.980 -7.496 663 3HZ LYS 87 3HZ LYS 87 -16.055 -1.339 -7.458 664 H MET 88 H MET 88 -13.592 5.800 -3.535 665 HA MET 88 HA MET 88 -14.584 6.337 -1.768 666 1HB MET 88 1HB MET 88 -16.497 6.532 -3.494 667 2HB MET 88 2HB MET 88 -17.152 5.090 -2.708 668 1HG MET 88 1HG MET 88 -16.630 6.415 -0.496 669 2HG MET 88 2HG MET 88 -16.531 7.818 -1.549 670 1HE MET 88 1HE MET 88 -18.382 7.192 1.028 671 2HE MET 88 2HE MET 88 -18.464 8.790 0.245 672 3HE MET 88 3HE MET 88 -19.953 7.886 0.578 673 H ASN 89 H ASN 89 -13.180 4.864 -0.654 674 HA ASN 89 HA ASN 89 -14.834 2.978 0.920 675 1HB ASN 89 1HB ASN 89 -13.051 1.903 -0.734 676 2HB ASN 89 2HB ASN 89 -11.940 2.274 0.593 677 2HD2 ASN 89 1HD2 ASN 89 -12.637 1.377 2.846 678 1HD2 ASN 89 2HD2 ASN 89 -13.751 0.023 2.874 679 HA PRO 90 HA PRO 90 -12.915 5.635 4.157 680 1HB PRO 90 1HB PRO 90 -14.278 3.636 5.906 681 2HB PRO 90 2HB PRO 90 -14.359 5.417 5.983 682 1HG PRO 90 1HG PRO 90 -16.461 3.916 5.085 683 2HG PRO 90 2HG PRO 90 -16.055 5.493 4.337 684 1HD PRO 90 2HD PRO 90 -15.961 4.128 2.443 685 2HD PRO 90 1HD PRO 90 -15.356 2.715 3.368 686 H GLN 91 H GLN 91 -11.414 4.846 6.067 687 HA GLN 91 HA GLN 91 -9.660 2.713 5.211 688 1HB GLN 91 1HB GLN 91 -9.975 4.191 7.873 689 2HB GLN 91 2HB GLN 91 -8.758 2.956 7.564 690 1HG GLN 91 1HG GLN 91 -7.945 4.390 5.614 691 2HG GLN 91 2HG GLN 91 -9.038 5.658 6.204 692 2HE2 GLN 91 1HE2 GLN 91 -7.997 7.140 7.525 693 1HE2 GLN 91 2HE2 GLN 91 -6.604 6.778 8.532 694 H SER 92 H SER 92 -10.648 0.678 5.020 695 HA SER 92 HA SER 92 -12.670 -0.367 6.527 696 1HB SER 92 1HB SER 92 -10.258 -1.835 5.409 697 2HB SER 92 2HB SER 92 -11.642 -2.643 6.136 698 HG SER 92 HG SER 92 -11.498 -0.955 3.888 699 H ALA 93 H ALA 93 -9.124 -0.474 7.581 700 HA ALA 93 HA ALA 93 -9.408 -2.166 9.560 701 1HB ALA 93 2HB ALA 93 -8.022 0.602 9.793 702 2HB ALA 93 3HB ALA 93 -7.516 -0.886 10.594 703 3HB ALA 93 1HB ALA 93 -7.385 -0.695 8.810 704 H PHE 94 H PHE 94 -10.651 1.162 9.670 705 HA PHE 94 HA PHE 94 -11.606 0.895 12.461 706 1HB PHE 94 1HB PHE 94 -10.540 3.029 11.569 707 2HB PHE 94 2HB PHE 94 -11.927 3.235 10.530 708 HD1 PHE 94 HD1 PHE 94 -14.205 3.715 11.558 709 HD2 PHE 94 HD2 PHE 94 -10.612 3.446 13.947 710 HE1 PHE 94 HE1 PHE 94 -15.306 4.975 13.362 711 HE2 PHE 94 HE2 PHE 94 -11.713 4.743 15.740 712 HZ PHE 94 HZ PHE 94 -14.057 5.530 15.455 713 H PHE 95 H PHE 95 -12.960 1.831 9.237 714 HA PHE 95 HA PHE 95 -15.624 1.836 9.980 715 1HB PHE 95 1HB PHE 95 -15.113 2.909 7.989 716 2HB PHE 95 2HB PHE 95 -14.135 1.589 7.375 717 HD1 PHE 95 HD1 PHE 95 -17.730 2.151 8.411 718 HD2 PHE 95 HD2 PHE 95 -14.998 0.352 5.583 719 HE1 PHE 95 HE1 PHE 95 -19.617 1.087 7.249 720 HE2 PHE 95 HE2 PHE 95 -16.904 -0.718 4.428 721 HZ PHE 95 HZ PHE 95 -19.218 -0.406 5.282 722 H GLN 96 H GLN 96 -13.879 -0.920 8.475 723 HA GLN 96 HA GLN 96 -16.272 -2.662 8.503 724 1HB GLN 96 1HB GLN 96 -13.260 -3.009 7.786 725 2HB GLN 96 2HB GLN 96 -14.382 -4.335 7.913 726 1HG GLN 96 1HG GLN 96 -15.930 -2.895 6.324 727 2HG GLN 96 2HG GLN 96 -14.412 -2.112 5.914 728 2HE2 GLN 96 1HE2 GLN 96 -12.581 -3.781 5.333 729 1HE2 GLN 96 2HE2 GLN 96 -13.124 -5.043 4.232 730 H GLY 97 H GLY 97 -13.230 -2.066 10.283 731 1HA GLY 97 1HA GLY 97 -12.708 -2.599 12.495 732 2HA GLY 97 2HA GLY 97 -14.211 -3.515 12.655 733 H LYS 98 H LYS 98 -12.197 -4.117 9.866 734 HA LYS 98 HA LYS 98 -11.801 -6.873 10.520 735 1HB LYS 98 1HB LYS 98 -10.973 -5.016 8.304 736 2HB LYS 98 2HB LYS 98 -9.910 -6.379 8.549 737 1HG LYS 98 1HG LYS 98 -12.583 -7.400 8.646 738 2HG LYS 98 2HG LYS 98 -12.515 -6.311 7.265 739 1HD LYS 98 1HD LYS 98 -10.341 -8.383 7.696 740 2HD LYS 98 2HD LYS 98 -11.903 -8.910 7.103 741 1HE LYS 98 1HE LYS 98 -10.461 -6.612 5.740 742 2HE LYS 98 2HE LYS 98 -10.063 -8.298 5.362 743 1HZ LYS 98 1HZ LYS 98 -12.886 -7.449 5.316 744 2HZ LYS 98 2HZ LYS 98 -11.944 -7.157 4.022 745 3HZ LYS 98 3HZ LYS 98 -12.185 -8.693 4.539 746 H LEU 99 H LEU 99 -10.130 -4.233 11.773 747 HA LEU 99 HA LEU 99 -8.223 -3.907 12.861 748 1HB LEU 99 1HB LEU 99 -9.000 -5.577 14.392 749 2HB LEU 99 2HB LEU 99 -8.388 -6.886 13.374 750 HG LEU 99 HG LEU 99 -6.057 -6.176 13.755 751 1HD1 LEU 99 1HD1 LEU 99 -7.317 -4.026 15.546 752 2HD1 LEU 99 2HD1 LEU 99 -5.583 -4.445 15.509 753 3HD1 LEU 99 3HD1 LEU 99 -6.329 -3.749 14.089 754 1HD2 LEU 99 1HD2 LEU 99 -7.283 -7.774 15.282 755 2HD2 LEU 99 2HD2 LEU 99 -5.912 -6.952 16.012 756 3HD2 LEU 99 3HD2 LEU 99 -7.560 -6.404 16.392 757 H LYS 100 H LYS 100 -6.908 -3.094 11.356 758 HA LYS 100 HA LYS 100 -5.365 -4.654 9.475 759 1HB LYS 100 1HB LYS 100 -4.573 -2.528 8.777 760 2HB LYS 100 2HB LYS 100 -6.164 -2.311 9.216 761 1HG LYS 100 1HG LYS 100 -5.564 -1.291 11.392 762 2HG LYS 100 2HG LYS 100 -3.874 -1.684 11.156 763 1HD LYS 100 1HD LYS 100 -3.488 -0.045 9.591 764 2HD LYS 100 2HD LYS 100 -5.164 -0.036 9.026 765 1HE LYS 100 1HE LYS 100 -5.813 0.939 11.297 766 2HE LYS 100 2HE LYS 100 -4.091 1.177 11.608 767 1HZ LYS 100 1HZ LYS 100 -5.470 2.267 9.236 768 2HZ LYS 100 2HZ LYS 100 -5.340 3.119 10.634 769 3HZ LYS 100 3HZ LYS 100 -3.992 2.728 9.818 770 H ILE 101 H ILE 101 -2.886 -4.014 9.698 771 HA ILE 101 HA ILE 101 -1.958 -4.500 12.459 772 HB ILE 101 HB ILE 101 -0.915 -5.612 9.818 773 1HG1 ILE 101 2HG1 ILE 101 -1.375 -6.855 12.574 774 2HG1 ILE 101 1HG1 ILE 101 -0.581 -7.672 11.234 775 1HG2 ILE 101 1HG2 ILE 101 0.681 -5.234 12.369 776 2HG2 ILE 101 2HG2 ILE 101 1.173 -6.238 10.980 777 3HG2 ILE 101 3HG2 ILE 101 0.974 -4.508 10.794 778 1HD1 ILE 101 1HD1 ILE 101 -2.733 -7.270 9.891 779 2HD1 ILE 101 2HD1 ILE 101 -2.753 -8.498 11.174 780 3HD1 ILE 101 3HD1 ILE 101 -3.488 -6.920 11.471 781 H THR 102 H THR 102 0.031 -3.209 12.774 782 HA THR 102 HA THR 102 1.032 -1.263 13.040 783 HB THR 102 HB THR 102 0.750 -0.714 10.075 784 HG1 THR 102 HG1 THR 102 1.427 -2.663 9.862 785 1HG2 THR 102 1HG2 THR 102 2.989 -0.340 12.100 786 2HG2 THR 102 2HG2 THR 102 3.172 -0.104 10.366 787 3HG2 THR 102 3HG2 THR 102 2.105 0.953 11.270 788 H GLY 103 H GLY 103 0.996 1.134 12.840 789 1HA GLY 103 1HA GLY 103 -1.659 2.349 12.315 790 2HA GLY 103 2HA GLY 103 -0.826 2.661 13.849 791 H ASN 104 H ASN 104 1.563 3.364 13.550 792 HA ASN 104 HA ASN 104 3.048 4.864 12.977 793 1HB ASN 104 1HB ASN 104 2.160 4.675 10.066 794 2HB ASN 104 2HB ASN 104 3.642 5.396 10.654 795 2HD2 ASN 104 1HD2 ASN 104 3.254 3.028 8.791 796 1HD2 ASN 104 2HD2 ASN 104 4.190 1.776 9.532 797 H MET 105 H MET 105 3.152 7.162 11.644 798 HA MET 105 HA MET 105 1.373 8.911 12.906 799 1HB MET 105 1HB MET 105 3.744 9.066 11.365 800 2HB MET 105 2HB MET 105 2.575 10.019 10.464 801 1HG MET 105 2HG MET 105 2.076 11.262 12.622 802 2HG MET 105 1HG MET 105 3.652 11.519 11.884 803 1HE MET 105 1HE MET 105 2.941 12.396 14.791 804 2HE MET 105 2HE MET 105 4.360 11.907 15.714 805 3HE MET 105 3HE MET 105 4.571 12.634 14.096 806 H GLY 106 H GLY 106 0.147 6.869 10.754 807 1HA GLY 106 1HA GLY 106 -2.118 7.324 9.914 808 2HA GLY 106 2HA GLY 106 -1.512 8.845 9.230 809 H LEU 107 H LEU 107 -1.608 5.343 8.882 810 HA LEU 107 HA LEU 107 0.352 5.235 6.741 811 1HB LEU 107 1HB LEU 107 -1.636 3.290 7.929 812 2HB LEU 107 2HB LEU 107 -0.909 2.917 6.383 813 HG LEU 107 HG LEU 107 0.730 3.552 8.852 814 1HD1 LEU 107 1HD1 LEU 107 -0.012 0.870 7.628 815 2HD1 LEU 107 2HD1 LEU 107 1.149 1.138 8.945 816 3HD1 LEU 107 3HD1 LEU 107 -0.575 1.499 9.193 817 1HD2 LEU 107 1HD2 LEU 107 1.414 2.777 6.048 818 2HD2 LEU 107 2HD2 LEU 107 2.191 3.984 7.080 819 3HD2 LEU 107 3HD2 LEU 107 2.477 2.258 7.345 820 H ALA 108 H ALA 108 -3.128 5.745 6.791 821 HA ALA 108 HA ALA 108 -3.384 5.342 3.897 822 1HB ALA 108 3HB ALA 108 -5.213 4.665 5.374 823 2HB ALA 108 1HB ALA 108 -5.345 6.330 6.015 824 3HB ALA 108 2HB ALA 108 -5.746 5.986 4.321 825 H MET 109 H MET 109 -4.115 8.059 6.093 826 HA MET 109 HA MET 109 -4.117 10.100 4.152 827 1HB MET 109 2HB MET 109 -5.436 10.236 6.150 828 2HB MET 109 1HB MET 109 -4.292 11.572 6.115 829 1HG MET 109 1HG MET 109 -2.831 10.216 7.719 830 2HG MET 109 2HG MET 109 -4.333 10.890 8.324 831 1HE MET 109 1HE MET 109 -3.553 9.275 10.408 832 2HE MET 109 2HE MET 109 -5.279 9.651 10.241 833 3HE MET 109 3HE MET 109 -4.769 8.002 10.633 834 H LYS 110 H LYS 110 -1.652 8.680 4.016 835 HA LYS 110 HA LYS 110 0.510 9.754 5.415 836 1HB LYS 110 1HB LYS 110 0.153 7.496 4.166 837 2HB LYS 110 2HB LYS 110 0.582 8.340 2.693 838 1HG LYS 110 2HG LYS 110 2.789 8.949 3.824 839 2HG LYS 110 1HG LYS 110 2.539 7.242 3.453 840 1HD LYS 110 1HD LYS 110 2.021 8.473 6.206 841 2HD LYS 110 2HD LYS 110 1.860 6.759 5.750 842 1HE LYS 110 1HE LYS 110 4.278 6.790 5.102 843 2HE LYS 110 2HE LYS 110 4.375 8.471 5.650 844 1HZ LYS 110 1HZ LYS 110 3.749 6.173 7.400 845 2HZ LYS 110 2HZ LYS 110 5.163 7.059 7.356 846 3HZ LYS 110 3HZ LYS 110 3.827 7.787 7.833 847 H LEU 111 H LEU 111 0.031 10.106 1.841 848 HA LEU 111 HA LEU 111 -0.029 12.885 1.842 849 1HB LEU 111 2HB LEU 111 2.460 12.789 2.086 850 2HB LEU 111 1HB LEU 111 1.922 13.435 0.555 851 HG LEU 111 HG LEU 111 2.336 11.068 -0.441 852 1HD1 LEU 111 1HD1 LEU 111 3.787 13.245 -0.607 853 2HD1 LEU 111 2HD1 LEU 111 4.908 12.329 0.436 854 3HD1 LEU 111 3HD1 LEU 111 4.419 11.697 -1.135 855 1HD2 LEU 111 1HD2 LEU 111 3.738 10.808 2.250 856 2HD2 LEU 111 2HD2 LEU 111 2.606 9.675 1.470 857 3HD2 LEU 111 3HD2 LEU 111 4.238 9.873 0.834 858 H GLN 112 H GLN 112 -0.255 13.576 -0.529 859 HA GLN 112 HA GLN 112 -1.850 11.700 -1.943 860 1HB GLN 112 2HB GLN 112 -2.269 13.258 -3.537 861 2HB GLN 112 1HB GLN 112 -0.632 13.890 -3.558 862 1HG GLN 112 1HG GLN 112 -2.558 14.422 -1.278 863 2HG GLN 112 2HG GLN 112 -0.966 15.158 -1.558 864 2HE2 GLN 112 1HE2 GLN 112 -2.269 17.201 -1.320 865 1HE2 GLN 112 2HE2 GLN 112 -3.053 17.841 -2.741 866 H ASN 113 H ASN 113 1.551 12.653 -2.640 867 HA ASN 113 HA ASN 113 1.611 11.244 -5.057 868 1HB ASN 113 1HB ASN 113 4.123 11.711 -3.436 869 2HB ASN 113 2HB ASN 113 3.944 11.689 -5.184 870 2HD2 ASN 113 1HD2 ASN 113 5.272 13.685 -3.621 871 1HD2 ASN 113 2HD2 ASN 113 4.453 15.200 -3.901 872 H LEU 114 H LEU 114 1.824 9.740 -1.969 873 HA LEU 114 HA LEU 114 3.240 7.360 -3.060 874 1HB LEU 114 1HB LEU 114 3.500 8.245 -0.613 875 2HB LEU 114 2HB LEU 114 1.901 7.569 -0.350 876 HG LEU 114 HG LEU 114 2.954 5.316 -1.230 877 1HD1 LEU 114 1HD1 LEU 114 5.094 6.401 -2.091 878 2HD1 LEU 114 2HD1 LEU 114 5.536 6.698 -0.409 879 3HD1 LEU 114 3HD1 LEU 114 5.350 5.053 -0.980 880 1HD2 LEU 114 1HD2 LEU 114 3.867 6.489 1.425 881 2HD2 LEU 114 2HD2 LEU 114 2.318 5.673 1.111 882 3HD2 LEU 114 3HD2 LEU 114 3.834 4.769 0.998 883 H GLN 115 H GLN 115 0.315 8.740 -3.539 884 HA GLN 115 HA GLN 115 -1.111 6.235 -3.995 885 1HB GLN 115 1HB GLN 115 -1.987 8.579 -2.255 886 2HB GLN 115 2HB GLN 115 -3.185 7.585 -3.084 887 1HG GLN 115 1HG GLN 115 -2.794 5.708 -1.846 888 2HG GLN 115 2HG GLN 115 -1.141 6.136 -1.440 889 2HE2 GLN 115 1HE2 GLN 115 -0.782 6.971 0.554 890 1HE2 GLN 115 2HE2 GLN 115 -2.085 7.455 1.656 891 H LEU 116 H LEU 116 0.356 7.566 -5.858 892 HA LEU 116 HA LEU 116 0.327 8.601 -7.793 893 1HB LEU 116 1HB LEU 116 -2.118 8.002 -8.986 894 2HB LEU 116 2HB LEU 116 -0.611 7.149 -9.101 895 HG LEU 116 HG LEU 116 -2.767 6.580 -7.032 896 1HD1 LEU 116 1HD1 LEU 116 -3.611 6.042 -9.255 897 2HD1 LEU 116 2HD1 LEU 116 -2.161 5.057 -9.581 898 3HD1 LEU 116 3HD1 LEU 116 -3.291 4.571 -8.303 899 1HD2 LEU 116 1HD2 LEU 116 -0.027 5.671 -7.273 900 2HD2 LEU 116 2HD2 LEU 116 -1.186 5.307 -6.031 901 3HD2 LEU 116 3HD2 LEU 116 -1.117 4.281 -7.463 902 H GLN 117 H GLN 117 -1.373 9.875 -9.489 903 HA GLN 117 HA GLN 117 -2.136 12.285 -7.905 904 1HB GLN 117 1HB GLN 117 -0.461 12.070 -10.259 905 2HB GLN 117 2HB GLN 117 -1.912 12.995 -10.632 906 1HG GLN 117 1HG GLN 117 -0.441 14.618 -9.909 907 2HG GLN 117 2HG GLN 117 -1.430 14.362 -8.492 908 2HE2 GLN 117 1HE2 GLN 117 -0.322 12.624 -6.779 909 1HE2 GLN 117 2HE2 GLN 117 1.358 13.055 -6.569 910 HA PRO 118 HA PRO 118 -6.145 10.971 -9.054 911 1HB PRO 118 1HB PRO 118 -7.699 12.912 -8.063 912 2HB PRO 118 2HB PRO 118 -6.690 11.874 -7.020 913 1HG PRO 118 1HG PRO 118 -5.985 14.639 -8.085 914 2HG PRO 118 2HG PRO 118 -5.935 14.065 -6.379 915 1HD PRO 118 1HD PRO 118 -3.725 14.057 -7.982 916 2HD PRO 118 2HD PRO 118 -4.034 12.745 -6.790 917 H GLY 119 H GLY 119 -8.286 12.023 -10.135 918 1HA GLY 119 1HA GLY 119 -8.951 13.992 -11.590 919 2HA GLY 119 2HA GLY 119 -7.505 13.636 -12.538 920 H ASN 120 H ASN 120 -10.605 12.418 -11.503 921 HA ASN 120 HA ASN 120 -12.041 10.876 -12.026 922 1HB ASN 120 1HB ASN 120 -11.812 12.266 -14.255 923 2HB ASN 120 2HB ASN 120 -11.251 10.741 -14.898 924 2HD2 ASN 120 1HD2 ASN 120 -13.984 12.387 -13.203 925 1HD2 ASN 120 2HD2 ASN 120 -15.210 11.300 -13.797 926 H ALA 121 H ALA 121 -12.532 8.639 -12.618 927 HA ALA 121 HA ALA 121 -10.271 6.865 -13.170 928 1HB ALA 121 3HB ALA 121 -10.074 7.007 -10.756 929 2HB ALA 121 1HB ALA 121 -11.808 6.724 -10.536 930 3HB ALA 121 2HB ALA 121 -10.770 5.434 -11.184 931 H LYS 122 H LYS 122 -13.130 5.449 -11.696 932 HA LYS 122 HA LYS 122 -14.601 5.483 -14.240 933 1HB LYS 122 1HB LYS 122 -13.098 3.494 -14.372 934 2HB LYS 122 2HB LYS 122 -13.823 2.907 -12.862 935 1HG LYS 122 1HG LYS 122 -16.110 3.048 -14.088 936 2HG LYS 122 2HG LYS 122 -15.169 3.331 -15.564 937 1HD LYS 122 1HD LYS 122 -13.966 1.189 -15.104 938 2HD LYS 122 2HD LYS 122 -15.053 0.924 -13.714 939 1HE LYS 122 1HE LYS 122 -17.006 1.122 -15.330 940 2HE LYS 122 2HE LYS 122 -15.799 1.061 -16.633 941 1HZ LYS 122 1HZ LYS 122 -15.075 -1.089 -15.539 942 2HZ LYS 122 2HZ LYS 122 -16.426 -0.998 -14.623 943 3HZ LYS 122 3HZ LYS 122 -16.598 -1.137 -16.232 944 H LEU 123 H LEU 123 -16.580 5.916 -13.766 945 HA LEU 123 HA LEU 123 -18.619 6.180 -12.817 946 1HB LEU 123 1HB LEU 123 -17.627 4.626 -10.401 947 2HB LEU 123 2HB LEU 123 -18.983 5.715 -10.324 948 HG LEU 123 HG LEU 123 -20.196 4.516 -12.060 949 1HD1 LEU 123 1HD1 LEU 123 -17.805 2.635 -12.105 950 2HD1 LEU 123 2HD1 LEU 123 -19.382 2.303 -12.864 951 3HD1 LEU 123 3HD1 LEU 123 -18.413 3.635 -13.445 952 1HD2 LEU 123 1HD2 LEU 123 -20.480 3.870 -9.710 953 2HD2 LEU 123 2HD2 LEU 123 -20.683 2.472 -10.778 954 3HD2 LEU 123 3HD2 LEU 123 -19.168 2.682 -9.862 No H/Q in entry = 954
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