NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13297 | 1uhu | 5880 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 0 1H GLY 0 -7.243 -18.230 -12.006 2 1HA GLY 0 1HA GLY 0 -5.035 -17.745 -10.229 3 2HA GLY 0 2HA GLY 0 -4.545 -17.885 -11.905 4 H SER 1 H SER 1 -4.443 -15.480 -10.201 5 HA SER 1 HA SER 1 -6.612 -13.833 -10.945 6 1HB SER 1 1HB SER 1 -5.285 -12.023 -9.910 7 2HB SER 1 2HB SER 1 -5.323 -13.439 -8.879 8 HG SER 1 HG SER 1 -3.179 -13.536 -10.636 9 H SER 2 H SER 2 -6.894 -12.735 -12.857 10 HA SER 2 HA SER 2 -4.689 -11.659 -14.235 11 1HB SER 2 1HB SER 2 -4.820 -12.954 -16.298 12 2HB SER 2 2HB SER 2 -4.493 -14.041 -14.963 13 HG SER 2 HG SER 2 -6.288 -15.096 -15.428 14 H GLY 3 H GLY 3 -5.569 -9.707 -14.808 15 1HA GLY 3 1HA GLY 3 -7.903 -9.571 -16.447 16 2HA GLY 3 2HA GLY 3 -8.242 -9.067 -14.804 17 H SER 4 H SER 4 -8.416 -7.277 -17.010 18 HA SER 4 HA SER 4 -6.200 -5.513 -16.332 19 1HB SER 4 1HB SER 4 -6.306 -4.635 -18.693 20 2HB SER 4 2HB SER 4 -5.744 -6.290 -18.578 21 HG SER 4 HG SER 4 -7.477 -5.709 -20.247 22 H SER 5 H SER 5 -7.841 -4.766 -14.690 23 HA SER 5 HA SER 5 -9.164 -2.508 -15.656 24 1HB SER 5 1HB SER 5 -10.851 -4.131 -16.431 25 2HB SER 5 2HB SER 5 -10.940 -4.847 -14.834 26 HG SER 5 HG SER 5 -12.258 -2.649 -15.816 27 H GLY 6 H GLY 6 -9.897 -1.150 -13.873 28 1HA GLY 6 1HA GLY 6 -9.876 -0.377 -11.764 29 2HA GLY 6 2HA GLY 6 -10.144 -2.022 -11.222 30 H THR 7 H THR 7 -8.225 0.425 -10.514 31 HA THR 7 HA THR 7 -5.752 -1.174 -10.459 32 HB THR 7 HB THR 7 -4.724 1.178 -10.136 33 HG1 THR 7 HG1 THR 7 -6.291 2.725 -9.940 34 1HG2 THR 7 1HG2 THR 7 -6.215 1.487 -12.676 35 2HG2 THR 7 2HG2 THR 7 -4.460 1.345 -12.412 36 3HG2 THR 7 3HG2 THR 7 -5.467 -0.120 -12.510 37 HA PRO 8 HA PRO 8 -5.881 -1.248 -6.173 38 1HB PRO 8 1HB PRO 8 -3.243 -1.170 -5.463 39 2HB PRO 8 2HB PRO 8 -4.037 -2.620 -6.045 40 1HG PRO 8 1HG PRO 8 -2.147 -0.845 -7.465 41 2HG PRO 8 2HG PRO 8 -2.612 -2.489 -7.854 42 1HD PRO 8 1HD PRO 8 -3.515 -0.098 -9.154 43 2HD PRO 8 2HD PRO 8 -4.067 -1.732 -9.465 44 H LEU 9 H LEU 9 -3.666 1.255 -7.288 45 HA LEU 9 HA LEU 9 -3.705 2.763 -4.977 46 1HB LEU 9 1HB LEU 9 -2.125 3.106 -6.758 47 2HB LEU 9 2HB LEU 9 -3.398 3.568 -7.870 48 HG LEU 9 HG LEU 9 -3.767 5.638 -6.775 49 1HD1 LEU 9 1HD1 LEU 9 -1.954 4.684 -4.541 50 2HD1 LEU 9 2HD1 LEU 9 -2.703 6.294 -4.671 51 3HD1 LEU 9 3HD1 LEU 9 -3.725 4.851 -4.464 52 1HD2 LEU 9 1HD2 LEU 9 -1.906 5.830 -8.198 53 2HD2 LEU 9 2HD2 LEU 9 -1.418 6.627 -6.683 54 3HD2 LEU 9 3HD2 LEU 9 -0.833 4.988 -7.055 55 H SER 10 H SER 10 -6.001 2.653 -7.746 56 HA SER 10 HA SER 10 -7.507 4.824 -6.770 57 1HB SER 10 1HB SER 10 -7.514 4.222 -9.151 58 2HB SER 10 2HB SER 10 -8.160 2.634 -8.788 59 HG SER 10 HG SER 10 -9.927 4.180 -7.663 60 H LEU 11 H LEU 11 -7.700 1.232 -6.556 61 HA LEU 11 HA LEU 11 -10.222 1.126 -5.345 62 1HB LEU 11 1HB LEU 11 -7.867 -0.749 -5.417 63 2HB LEU 11 2HB LEU 11 -9.347 -1.142 -4.566 64 HG LEU 11 HG LEU 11 -9.519 -0.316 -7.443 65 1HD1 LEU 11 1HD1 LEU 11 -7.694 -2.206 -6.852 66 2HD1 LEU 11 2HD1 LEU 11 -9.157 -3.216 -6.941 67 3HD1 LEU 11 3HD1 LEU 11 -8.681 -2.215 -8.334 68 1HD2 LEU 11 1HD2 LEU 11 -11.073 -2.564 -6.267 69 2HD2 LEU 11 2HD2 LEU 11 -11.433 -0.923 -5.680 70 3HD2 LEU 11 3HD2 LEU 11 -11.566 -1.296 -7.415 71 H THR 12 H THR 12 -6.899 1.577 -4.074 72 HA THR 12 HA THR 12 -7.709 1.348 -1.346 73 HB THR 12 HB THR 12 -5.326 2.356 -1.076 74 HG1 THR 12 HG1 THR 12 -4.293 2.743 -3.069 75 1HG2 THR 12 1HG2 THR 12 -4.642 0.179 -1.146 76 2HG2 THR 12 2HG2 THR 12 -6.142 -0.251 -2.002 77 3HG2 THR 12 3HG2 THR 12 -4.695 0.219 -2.925 78 H LEU 13 H LEU 13 -6.815 4.155 -3.462 79 HA LEU 13 HA LEU 13 -7.315 6.096 -1.556 80 1HB LEU 13 1HB LEU 13 -7.389 6.093 -4.565 81 2HB LEU 13 2HB LEU 13 -7.713 7.542 -3.635 82 HG LEU 13 HG LEU 13 -5.148 5.929 -3.568 83 1HD1 LEU 13 1HD1 LEU 13 -5.613 8.699 -4.697 84 2HD1 LEU 13 2HD1 LEU 13 -4.128 7.722 -4.779 85 3HD1 LEU 13 3HD1 LEU 13 -5.580 7.210 -5.672 86 1HD2 LEU 13 1HD2 LEU 13 -4.560 8.331 -2.414 87 2HD2 LEU 13 2HD2 LEU 13 -6.207 8.037 -1.806 88 3HD2 LEU 13 3HD2 LEU 13 -4.928 6.832 -1.527 89 H ASP 14 H ASP 14 -9.515 4.291 -3.723 90 HA ASP 14 HA ASP 14 -11.713 5.925 -3.395 91 1HB ASP 14 1HB ASP 14 -11.272 3.015 -4.070 92 2HB ASP 14 2HB ASP 14 -12.910 3.537 -3.732 93 H HIS 15 H HIS 15 -10.346 3.195 -1.484 94 HA HIS 15 HA HIS 15 -12.487 3.570 0.475 95 1HB HIS 15 1HB HIS 15 -10.779 1.223 -0.296 96 2HB HIS 15 2HB HIS 15 -11.436 1.313 1.326 97 HD1 HIS 15 HD1 HIS 15 -14.266 2.145 1.049 98 HD2 HIS 15 HD2 HIS 15 -12.429 -0.332 -1.794 99 HE1 HIS 15 HE1 HIS 15 -16.151 0.913 -0.150 100 H TRP 16 H TRP 16 -10.443 5.538 0.266 101 HA TRP 16 HA TRP 16 -8.186 5.199 1.741 102 1HB TRP 16 1HB TRP 16 -8.752 7.221 0.503 103 2HB TRP 16 2HB TRP 16 -10.013 7.606 1.657 104 HD1 TRP 16 HD1 TRP 16 -9.172 9.532 3.195 105 HE1 TRP 16 HE1 TRP 16 -6.954 10.272 4.419 106 HE3 TRP 16 HE3 TRP 16 -6.303 5.723 1.429 107 HZ2 TRP 16 HZ2 TRP 16 -4.309 9.205 4.509 108 HZ3 TRP 16 HZ3 TRP 16 -3.913 5.646 2.133 109 HH2 TRP 16 HH2 TRP 16 -2.908 7.306 3.619 110 H SER 17 H SER 17 -11.591 5.582 2.815 111 HA SER 17 HA SER 17 -11.158 6.079 5.456 112 1HB SER 17 1HB SER 17 -13.371 6.034 4.201 113 2HB SER 17 2HB SER 17 -13.349 4.286 4.324 114 HG SER 17 HG SER 17 -14.480 4.816 6.121 115 H GLU 18 H GLU 18 -11.170 2.955 3.656 116 HA GLU 18 HA GLU 18 -10.963 1.374 5.960 117 1HB GLU 18 1HB GLU 18 -11.789 0.327 3.981 118 2HB GLU 18 2HB GLU 18 -10.446 0.894 3.009 119 1HG GLU 18 1HG GLU 18 -10.112 -1.478 3.490 120 2HG GLU 18 2HG GLU 18 -8.886 -0.558 4.339 121 H ILE 19 H ILE 19 -8.581 2.808 3.667 122 HA ILE 19 HA ILE 19 -6.336 1.495 4.696 123 HB ILE 19 HB ILE 19 -6.310 4.240 3.473 124 1HG1 ILE 19 1HG1 ILE 19 -7.791 3.225 1.997 125 2HG1 ILE 19 2HG1 ILE 19 -6.231 2.942 1.251 126 1HG2 ILE 19 1HG2 ILE 19 -4.254 3.273 2.376 127 2HG2 ILE 19 2HG2 ILE 19 -4.156 3.502 4.139 128 3HG2 ILE 19 3HG2 ILE 19 -4.425 1.876 3.466 129 1HD1 ILE 19 1HD1 ILE 19 -7.146 0.801 1.135 130 2HD1 ILE 19 2HD1 ILE 19 -6.295 0.695 2.695 131 3HD1 ILE 19 3HD1 ILE 19 -8.049 0.992 2.657 132 H ARG 20 H ARG 20 -8.111 4.446 5.674 133 HA ARG 20 HA ARG 20 -6.121 5.289 7.455 134 1HB ARG 20 1HB ARG 20 -9.099 5.915 7.205 135 2HB ARG 20 2HB ARG 20 -8.091 6.680 8.417 136 1HG ARG 20 1HG ARG 20 -6.509 7.273 6.390 137 2HG ARG 20 2HG ARG 20 -7.906 6.912 5.395 138 1HD ARG 20 1HD ARG 20 -7.794 8.983 7.642 139 2HD ARG 20 2HD ARG 20 -7.826 9.330 5.925 140 HE ARG 20 HE ARG 20 -10.126 8.650 5.827 141 1HH1 ARG 20 1HH1 ARG 20 -8.777 8.354 9.063 142 2HH1 ARG 20 2HH1 ARG 20 -10.323 8.224 9.834 143 1HH2 ARG 20 1HH2 ARG 20 -12.165 8.478 6.843 144 2HH2 ARG 20 2HH2 ARG 20 -12.263 8.294 8.562 145 H SER 21 H SER 21 -8.887 3.053 7.612 146 HA SER 21 HA SER 21 -9.091 2.988 10.395 147 1HB SER 21 1HB SER 21 -10.386 1.796 8.162 148 2HB SER 21 2HB SER 21 -9.819 0.457 9.140 149 HG SER 21 HG SER 21 -10.989 1.225 10.926 150 H ARG 22 H ARG 22 -7.303 0.984 7.970 151 HA ARG 22 HA ARG 22 -6.367 -0.888 9.753 152 1HB ARG 22 1HB ARG 22 -4.874 0.143 7.291 153 2HB ARG 22 2HB ARG 22 -4.727 -1.448 8.011 154 1HG ARG 22 1HG ARG 22 -7.526 -0.957 7.441 155 2HG ARG 22 2HG ARG 22 -6.594 -0.578 6.006 156 1HD ARG 22 1HD ARG 22 -5.371 -2.879 6.508 157 2HD ARG 22 2HD ARG 22 -6.781 -3.217 7.492 158 HE ARG 22 HE ARG 22 -7.432 -2.249 4.797 159 1HH1 ARG 22 1HH1 ARG 22 -6.751 -5.079 6.774 160 2HH1 ARG 22 2HH1 ARG 22 -7.554 -6.179 5.703 161 1HH2 ARG 22 1HH2 ARG 22 -8.491 -3.699 3.383 162 2HH2 ARG 22 2HH2 ARG 22 -8.550 -5.389 3.761 163 H ALA 23 H ALA 23 -5.341 2.433 9.033 164 HA ALA 23 HA ALA 23 -2.750 2.200 10.178 165 1HB ALA 23 1HB ALA 23 -2.567 4.175 9.127 166 2HB ALA 23 2HB ALA 23 -4.300 4.113 8.726 167 3HB ALA 23 3HB ALA 23 -3.762 4.891 10.234 168 H HIS 24 H HIS 24 -6.020 3.173 11.325 169 HA HIS 24 HA HIS 24 -5.160 4.115 13.813 170 1HB HIS 24 1HB HIS 24 -7.515 4.076 12.410 171 2HB HIS 24 2HB HIS 24 -7.852 2.913 13.677 172 HD1 HIS 24 HD1 HIS 24 -9.597 4.649 14.663 173 HD2 HIS 24 HD2 HIS 24 -5.594 5.902 14.743 174 HE1 HIS 24 HE1 HIS 24 -9.507 6.654 16.239 175 H ASN 25 H ASN 25 -6.306 0.884 12.669 176 HA ASN 25 HA ASN 25 -6.250 -0.294 15.176 177 1HB ASN 25 1HB ASN 25 -6.895 -1.067 12.543 178 2HB ASN 25 2HB ASN 25 -5.535 -2.100 12.937 179 1HD2 ASN 25 1HD2 ASN 25 -8.128 -3.017 12.497 180 2HD2 ASN 25 2HD2 ASN 25 -8.764 -3.710 13.952 181 H LEU 26 H LEU 26 -3.777 0.490 12.756 182 HA LEU 26 HA LEU 26 -1.818 -1.254 13.992 183 1HB LEU 26 1HB LEU 26 -1.790 0.557 11.582 184 2HB LEU 26 2HB LEU 26 -0.347 -0.230 12.191 185 HG LEU 26 HG LEU 26 -2.845 -1.694 11.296 186 1HD1 LEU 26 1HD1 LEU 26 -1.085 -2.363 9.416 187 2HD1 LEU 26 2HD1 LEU 26 -2.135 -0.933 9.272 188 3HD1 LEU 26 3HD1 LEU 26 -0.446 -0.747 9.801 189 1HD2 LEU 26 1HD2 LEU 26 -1.577 -2.961 12.928 190 2HD2 LEU 26 2HD2 LEU 26 -1.390 -3.686 11.313 191 3HD2 LEU 26 3HD2 LEU 26 -0.077 -2.703 12.005 192 H SER 27 H SER 27 -3.142 1.866 14.446 193 HA SER 27 HA SER 27 -2.633 3.438 15.866 194 1HB SER 27 1HB SER 27 -1.620 1.536 17.257 195 2HB SER 27 2HB SER 27 -0.060 1.976 16.590 196 HG SER 27 HG SER 27 -0.287 4.095 17.517 197 H VAL 28 H VAL 28 -2.023 3.747 13.159 198 HA VAL 28 HA VAL 28 0.314 5.491 13.337 199 HB VAL 28 HB VAL 28 0.944 4.718 11.030 200 1HG1 VAL 28 1HG1 VAL 28 1.634 2.298 12.204 201 2HG1 VAL 28 2HG1 VAL 28 2.540 3.825 12.325 202 3HG1 VAL 28 3HG1 VAL 28 1.376 3.378 13.595 203 1HG2 VAL 28 1HG2 VAL 28 -0.807 2.328 11.698 204 2HG2 VAL 28 2HG2 VAL 28 -1.223 3.595 10.519 205 3HG2 VAL 28 3HG2 VAL 28 0.195 2.555 10.244 206 H GLU 29 H GLU 29 0.310 7.152 11.564 207 HA GLU 29 HA GLU 29 -2.423 7.596 10.647 208 1HB GLU 29 1HB GLU 29 -1.790 9.115 12.540 209 2HB GLU 29 2HB GLU 29 -0.449 9.722 11.590 210 1HG GLU 29 1HG GLU 29 -1.812 11.172 10.505 211 2HG GLU 29 2HG GLU 29 -2.840 9.859 9.965 212 H ILE 30 H ILE 30 -2.673 8.400 8.515 213 HA ILE 30 HA ILE 30 -0.247 9.028 7.045 214 HB ILE 30 HB ILE 30 -0.865 7.462 5.235 215 1HG1 ILE 30 1HG1 ILE 30 -2.925 6.554 7.247 216 2HG1 ILE 30 2HG1 ILE 30 -3.168 7.044 5.583 217 1HG2 ILE 30 1HG2 ILE 30 -0.441 5.742 7.633 218 2HG2 ILE 30 2HG2 ILE 30 0.430 5.791 6.082 219 3HG2 ILE 30 3HG2 ILE 30 0.736 7.038 7.314 220 1HD1 ILE 30 1HD1 ILE 30 -2.018 5.056 4.751 221 2HD1 ILE 30 2HD1 ILE 30 -1.537 4.598 6.402 222 3HD1 ILE 30 3HD1 ILE 30 -3.252 4.544 5.927 223 H LYS 31 H LYS 31 -0.808 9.937 4.835 224 HA LYS 31 HA LYS 31 -3.401 11.305 5.033 225 1HB LYS 31 1HB LYS 31 -0.661 12.256 4.385 226 2HB LYS 31 2HB LYS 31 -1.955 12.909 3.400 227 1HG LYS 31 1HG LYS 31 -2.922 12.938 6.090 228 2HG LYS 31 2HG LYS 31 -1.273 13.528 6.163 229 1HD LYS 31 1HD LYS 31 -2.704 14.677 3.870 230 2HD LYS 31 2HD LYS 31 -3.561 14.989 5.367 231 1HE LYS 31 1HE LYS 31 -1.068 15.594 6.228 232 2HE LYS 31 2HE LYS 31 -0.818 15.902 4.521 233 1HZ LYS 31 1HZ LYS 31 -2.156 17.668 4.588 234 2HZ LYS 31 2HZ LYS 31 -3.240 16.992 5.605 235 3HZ LYS 31 3HZ LYS 31 -1.869 17.653 6.196 236 H LYS 32 H LYS 32 -4.262 11.997 2.799 237 HA LYS 32 HA LYS 32 -4.091 9.640 1.102 238 1HB LYS 32 1HB LYS 32 -6.305 10.350 1.821 239 2HB LYS 32 2HB LYS 32 -6.044 11.958 1.176 240 1HG LYS 32 1HG LYS 32 -6.276 11.272 -1.037 241 2HG LYS 32 2HG LYS 32 -5.628 9.673 -0.728 242 1HD LYS 32 1HD LYS 32 -7.770 8.918 -0.745 243 2HD LYS 32 2HD LYS 32 -7.972 9.705 0.808 244 1HE LYS 32 1HE LYS 32 -8.594 10.878 -1.940 245 2HE LYS 32 2HE LYS 32 -9.742 10.489 -0.675 246 1HZ LYS 32 1HZ LYS 32 -8.185 12.137 0.630 247 2HZ LYS 32 2HZ LYS 32 -7.945 12.734 -0.871 248 3HZ LYS 32 3HZ LYS 32 -9.455 12.658 -0.254 249 H GLY 33 H GLY 33 -2.720 12.763 1.412 250 1HA GLY 33 1HA GLY 33 -2.487 13.333 -1.405 251 2HA GLY 33 2HA GLY 33 -1.750 14.193 -0.068 252 HA PRO 34 HA PRO 34 1.906 11.836 -0.457 253 1HB PRO 34 1HB PRO 34 2.474 10.625 1.926 254 2HB PRO 34 2HB PRO 34 2.749 12.330 1.628 255 1HG PRO 34 1HG PRO 34 0.608 11.047 3.213 256 2HG PRO 34 2HG PRO 34 1.151 12.713 3.247 257 1HD PRO 34 1HD PRO 34 -1.224 11.707 1.992 258 2HD PRO 34 2HD PRO 34 -0.621 13.351 1.928 259 H TRP 35 H TRP 35 -0.540 9.799 0.995 260 HA TRP 35 HA TRP 35 0.550 7.348 0.508 261 1HB TRP 35 1HB TRP 35 -1.456 7.520 1.738 262 2HB TRP 35 2HB TRP 35 -2.297 8.327 0.429 263 HD1 TRP 35 HD1 TRP 35 -2.886 6.679 -1.783 264 HE1 TRP 35 HE1 TRP 35 -3.505 4.120 -1.953 265 HE3 TRP 35 HE3 TRP 35 -1.020 5.387 2.767 266 HZ2 TRP 35 HZ2 TRP 35 -3.152 1.892 -0.204 267 HZ3 TRP 35 HZ3 TRP 35 -1.198 2.999 3.460 268 HH2 TRP 35 HH2 TRP 35 -2.219 1.278 2.057 269 H ARG 36 H ARG 36 -1.053 9.656 -1.738 270 HA ARG 36 HA ARG 36 -1.011 7.810 -3.875 271 1HB ARG 36 1HB ARG 36 -2.681 9.652 -3.740 272 2HB ARG 36 2HB ARG 36 -1.401 10.845 -3.836 273 1HG ARG 36 1HG ARG 36 -1.142 10.586 -6.105 274 2HG ARG 36 2HG ARG 36 -1.340 8.846 -6.035 275 1HD ARG 36 1HD ARG 36 -3.515 9.015 -6.668 276 2HD ARG 36 2HD ARG 36 -3.866 10.092 -5.332 277 HE ARG 36 HE ARG 36 -2.554 11.740 -7.129 278 1HH1 ARG 36 1HH1 ARG 36 -5.336 9.599 -7.372 279 2HH1 ARG 36 2HH1 ARG 36 -6.106 10.531 -8.612 280 1HH2 ARG 36 1HH2 ARG 36 -3.570 12.971 -8.765 281 2HH2 ARG 36 2HH2 ARG 36 -5.095 12.462 -9.410 282 H THR 37 H THR 37 0.900 10.733 -2.901 283 HA THR 37 HA THR 37 2.575 10.855 -5.108 284 HB THR 37 HB THR 37 2.897 11.606 -2.162 285 HG1 THR 37 HG1 THR 37 2.383 12.938 -4.728 286 1HG2 THR 37 1HG2 THR 37 4.468 13.155 -4.093 287 2HG2 THR 37 2HG2 THR 37 5.001 12.405 -2.569 288 3HG2 THR 37 3HG2 THR 37 4.994 11.454 -4.074 289 H PHE 38 H PHE 38 3.067 9.076 -1.990 290 HA PHE 38 HA PHE 38 5.537 8.027 -2.666 291 1HB PHE 38 1HB PHE 38 3.159 7.125 -0.953 292 2HB PHE 38 2HB PHE 38 4.637 6.185 -0.984 293 HD1 PHE 38 HD1 PHE 38 6.649 8.399 -1.067 294 HD2 PHE 38 HD2 PHE 38 3.116 7.937 1.239 295 HE1 PHE 38 HE1 PHE 38 7.622 9.869 0.719 296 HE2 PHE 38 HE2 PHE 38 4.090 9.408 3.024 297 HZ PHE 38 HZ PHE 38 6.331 10.356 2.743 298 H CYS 39 H CYS 39 2.255 7.096 -3.652 299 HA CYS 39 HA CYS 39 3.340 4.664 -4.847 300 1HB CYS 39 1HB CYS 39 1.270 4.590 -3.351 301 2HB CYS 39 2HB CYS 39 0.416 5.427 -4.632 302 HG CYS 39 HG CYS 39 -0.174 2.916 -4.827 303 H ALA 40 H ALA 40 3.487 7.724 -5.640 304 HA ALA 40 HA ALA 40 2.161 7.553 -8.237 305 1HB ALA 40 1HB ALA 40 1.788 9.555 -6.826 306 2HB ALA 40 2HB ALA 40 3.540 9.870 -6.818 307 3HB ALA 40 3HB ALA 40 2.624 9.968 -8.342 308 H SER 41 H SER 41 5.372 8.582 -6.860 309 HA SER 41 HA SER 41 6.652 7.059 -8.921 310 1HB SER 41 1HB SER 41 6.101 9.631 -9.603 311 2HB SER 41 2HB SER 41 7.610 9.896 -8.753 312 HG SER 41 HG SER 41 7.202 8.866 -11.263 313 H GLU 42 H GLU 42 6.467 6.821 -6.046 314 HA GLU 42 HA GLU 42 9.184 7.588 -5.306 315 1HB GLU 42 1HB GLU 42 7.060 8.517 -4.022 316 2HB GLU 42 2HB GLU 42 7.048 6.936 -3.266 317 1HG GLU 42 1HG GLU 42 8.465 7.992 -1.778 318 2HG GLU 42 2HG GLU 42 9.672 7.475 -2.938 319 H TRP 43 H TRP 43 6.587 5.092 -4.867 320 HA TRP 43 HA TRP 43 8.437 3.180 -3.829 321 1HB TRP 43 1HB TRP 43 5.546 3.099 -4.664 322 2HB TRP 43 2HB TRP 43 6.417 1.639 -4.237 323 HD1 TRP 43 HD1 TRP 43 7.999 3.725 -1.876 324 HE1 TRP 43 HE1 TRP 43 6.824 3.934 0.478 325 HE3 TRP 43 HE3 TRP 43 3.464 2.003 -3.400 326 HZ2 TRP 43 HZ2 TRP 43 4.190 3.367 1.417 327 HZ3 TRP 43 HZ3 TRP 43 1.645 1.862 -1.702 328 HH2 TRP 43 HH2 TRP 43 1.951 2.510 0.635 329 HA PRO 44 HA PRO 44 7.969 1.725 -8.335 330 1HB PRO 44 1HB PRO 44 6.988 3.467 -10.197 331 2HB PRO 44 2HB PRO 44 6.002 2.251 -9.410 332 1HG PRO 44 1HG PRO 44 6.081 5.167 -8.933 333 2HG PRO 44 2HG PRO 44 4.840 4.015 -8.483 334 1HD PRO 44 1HD PRO 44 6.807 5.182 -6.752 335 2HD PRO 44 2HD PRO 44 5.641 3.944 -6.329 336 H THR 45 H THR 45 9.399 4.324 -7.058 337 HA THR 45 HA THR 45 11.334 4.414 -9.281 338 HB THR 45 HB THR 45 11.724 6.786 -8.558 339 HG1 THR 45 HG1 THR 45 10.895 7.233 -6.557 340 1HG2 THR 45 1HG2 THR 45 9.804 6.216 -10.212 341 2HG2 THR 45 2HG2 THR 45 8.712 6.347 -8.813 342 3HG2 THR 45 3HG2 THR 45 9.657 7.761 -9.340 343 H PHE 46 H PHE 46 10.959 2.716 -6.681 344 HA PHE 46 HA PHE 46 13.367 3.515 -5.275 345 1HB PHE 46 1HB PHE 46 10.989 1.677 -4.947 346 2HB PHE 46 2HB PHE 46 12.463 1.148 -4.159 347 HD1 PHE 46 HD1 PHE 46 11.129 1.343 -2.041 348 HD2 PHE 46 HD2 PHE 46 12.077 4.718 -4.432 349 HE1 PHE 46 HE1 PHE 46 10.635 2.857 -0.100 350 HE2 PHE 46 HE2 PHE 46 11.582 6.232 -2.491 351 HZ PHE 46 HZ PHE 46 10.867 5.283 -0.349 352 H ASP 47 H ASP 47 12.346 1.379 -7.831 353 HA ASP 47 HA ASP 47 13.573 0.118 -9.137 354 1HB ASP 47 1HB ASP 47 15.585 1.505 -8.064 355 2HB ASP 47 2HB ASP 47 15.902 0.011 -7.206 356 H VAL 48 H VAL 48 12.024 -1.576 -8.478 357 HA VAL 48 HA VAL 48 13.298 -3.783 -7.188 358 HB VAL 48 HB VAL 48 11.160 -3.882 -5.613 359 1HG1 VAL 48 1HG1 VAL 48 12.562 -3.331 -3.808 360 2HG1 VAL 48 2HG1 VAL 48 13.679 -3.884 -5.079 361 3HG1 VAL 48 3HG1 VAL 48 13.481 -2.143 -4.764 362 1HG2 VAL 48 1HG2 VAL 48 10.226 -1.745 -6.407 363 2HG2 VAL 48 2HG2 VAL 48 10.618 -1.689 -4.672 364 3HG2 VAL 48 3HG2 VAL 48 11.692 -0.901 -5.853 365 H GLY 49 H GLY 49 10.251 -2.249 -8.379 366 1HA GLY 49 1HA GLY 49 9.569 -3.445 -10.520 367 2HA GLY 49 2HA GLY 49 9.464 -4.864 -9.497 368 H TRP 50 H TRP 50 8.615 -1.448 -8.661 369 HA TRP 50 HA TRP 50 5.910 -2.411 -8.065 370 1HB TRP 50 1HB TRP 50 7.047 -1.521 -6.150 371 2HB TRP 50 2HB TRP 50 7.499 -0.067 -7.018 372 HD1 TRP 50 HD1 TRP 50 5.327 1.621 -7.679 373 HE1 TRP 50 HE1 TRP 50 3.089 2.176 -6.395 374 HE3 TRP 50 HE3 TRP 50 5.409 -2.488 -4.685 375 HZ2 TRP 50 HZ2 TRP 50 1.637 0.863 -4.318 376 HZ3 TRP 50 HZ3 TRP 50 3.544 -2.777 -3.057 377 HH2 TRP 50 HH2 TRP 50 1.702 -1.183 -2.846 378 HA PRO 51 HA PRO 51 4.766 -0.074 -11.584 379 1HB PRO 51 1HB PRO 51 2.083 -0.588 -11.517 380 2HB PRO 51 2HB PRO 51 3.248 -1.670 -12.253 381 1HG PRO 51 1HG PRO 51 1.832 -1.949 -9.673 382 2HG PRO 51 2HG PRO 51 2.652 -3.179 -10.614 383 1HD PRO 51 1HD PRO 51 3.629 -1.900 -8.240 384 2HD PRO 51 2HD PRO 51 4.494 -3.045 -9.246 385 HA PRO 52 HA PRO 52 3.385 3.694 -10.212 386 1HB PRO 52 1HB PRO 52 2.231 4.811 -12.423 387 2HB PRO 52 2HB PRO 52 3.964 4.770 -12.164 388 1HG PRO 52 1HG PRO 52 2.324 3.131 -13.998 389 2HG PRO 52 2HG PRO 52 4.054 3.409 -14.024 390 1HD PRO 52 1HD PRO 52 2.709 1.049 -13.103 391 2HD PRO 52 2HD PRO 52 4.429 1.374 -13.021 392 H GLU 53 H GLU 53 1.112 1.477 -11.453 393 HA GLU 53 HA GLU 53 -1.078 3.064 -10.487 394 1HB GLU 53 1HB GLU 53 -0.925 0.324 -11.809 395 2HB GLU 53 2HB GLU 53 -2.432 1.038 -11.269 396 1HG GLU 53 1HG GLU 53 -2.073 1.507 -13.668 397 2HG GLU 53 2HG GLU 53 -2.063 2.999 -12.749 398 H GLY 54 H GLY 54 1.045 0.467 -9.430 399 1HA GLY 54 1HA GLY 54 1.213 0.068 -7.083 400 2HA GLY 54 2HA GLY 54 -0.522 0.268 -6.936 401 H THR 55 H THR 55 0.461 -1.995 -5.818 402 HA THR 55 HA THR 55 -0.827 -4.034 -7.334 403 HB THR 55 HB THR 55 1.488 -3.824 -8.432 404 HG1 THR 55 HG1 THR 55 0.198 -5.815 -8.378 405 1HG2 THR 55 1HG2 THR 55 2.265 -4.769 -5.632 406 2HG2 THR 55 2HG2 THR 55 3.258 -5.137 -7.064 407 3HG2 THR 55 3HG2 THR 55 2.992 -3.446 -6.576 408 H PHE 56 H PHE 56 -1.458 -5.763 -6.059 409 HA PHE 56 HA PHE 56 -0.928 -5.330 -3.223 410 1HB PHE 56 1HB PHE 56 -3.005 -6.780 -4.944 411 2HB PHE 56 2HB PHE 56 -2.899 -7.129 -3.230 412 HD1 PHE 56 HD1 PHE 56 -2.845 -4.898 -1.716 413 HD2 PHE 56 HD2 PHE 56 -4.552 -5.205 -5.589 414 HE1 PHE 56 HE1 PHE 56 -4.319 -2.927 -1.222 415 HE2 PHE 56 HE2 PHE 56 -6.026 -3.234 -5.095 416 HZ PHE 56 HZ PHE 56 -5.892 -2.119 -2.918 417 H ASP 57 H ASP 57 1.208 -6.468 -4.775 418 HA ASP 57 HA ASP 57 1.015 -9.290 -4.161 419 1HB ASP 57 1HB ASP 57 1.843 -8.563 -6.412 420 2HB ASP 57 2HB ASP 57 3.157 -7.693 -5.645 421 H LEU 58 H LEU 58 1.684 -9.769 -2.057 422 HA LEU 58 HA LEU 58 3.026 -8.125 -0.363 423 1HB LEU 58 1HB LEU 58 1.926 -10.594 -0.232 424 2HB LEU 58 2HB LEU 58 3.624 -11.009 -0.113 425 HG LEU 58 HG LEU 58 3.629 -9.102 1.731 426 1HD1 LEU 58 1HD1 LEU 58 1.287 -8.441 1.325 427 2HD1 LEU 58 2HD1 LEU 58 0.756 -10.062 1.834 428 3HD1 LEU 58 3HD1 LEU 58 1.566 -8.984 2.997 429 1HD2 LEU 58 1HD2 LEU 58 4.272 -11.417 2.111 430 2HD2 LEU 58 2HD2 LEU 58 3.245 -10.827 3.439 431 3HD2 LEU 58 3HD2 LEU 58 2.561 -11.901 2.194 432 H THR 59 H THR 59 4.354 -10.300 -2.877 433 HA THR 59 HA THR 59 7.030 -10.184 -2.081 434 HB THR 59 HB THR 59 5.619 -10.582 -4.765 435 HG1 THR 59 HG1 THR 59 5.403 -12.119 -2.904 436 1HG2 THR 59 1HG2 THR 59 7.668 -11.377 -5.693 437 2HG2 THR 59 2HG2 THR 59 8.158 -9.877 -4.871 438 3HG2 THR 59 3HG2 THR 59 8.459 -11.453 -4.101 439 H VAL 60 H VAL 60 5.198 -8.093 -4.403 440 HA VAL 60 HA VAL 60 7.437 -6.432 -4.874 441 HB VAL 60 HB VAL 60 4.472 -6.014 -5.301 442 1HG1 VAL 60 1HG1 VAL 60 6.306 -4.575 -7.073 443 2HG1 VAL 60 2HG1 VAL 60 4.872 -3.996 -6.192 444 3HG1 VAL 60 3HG1 VAL 60 6.449 -4.073 -5.371 445 1HG2 VAL 60 1HG2 VAL 60 4.755 -7.628 -6.837 446 2HG2 VAL 60 2HG2 VAL 60 5.654 -6.405 -7.766 447 3HG2 VAL 60 3HG2 VAL 60 6.530 -7.551 -6.723 448 H ILE 61 H ILE 61 4.800 -6.517 -2.477 449 HA ILE 61 HA ILE 61 5.158 -3.877 -1.559 450 HB ILE 61 HB ILE 61 3.879 -6.354 -0.431 451 1HG1 ILE 61 1HG1 ILE 61 2.761 -3.733 -1.470 452 2HG1 ILE 61 2HG1 ILE 61 2.764 -5.262 -2.326 453 1HG2 ILE 61 1HG2 ILE 61 4.794 -5.049 1.449 454 2HG2 ILE 61 2HG2 ILE 61 3.918 -3.614 0.864 455 3HG2 ILE 61 3HG2 ILE 61 3.014 -5.044 1.418 456 1HD1 ILE 61 1HD1 ILE 61 1.142 -4.430 0.076 457 2HD1 ILE 61 2HD1 ILE 61 0.630 -5.308 -1.385 458 3HD1 ILE 61 3HD1 ILE 61 1.553 -6.151 -0.118 459 H PHE 62 H PHE 62 6.329 -7.087 -0.327 460 HA PHE 62 HA PHE 62 7.775 -6.106 1.799 461 1HB PHE 62 1HB PHE 62 7.631 -8.502 0.019 462 2HB PHE 62 2HB PHE 62 9.219 -8.292 0.729 463 HD1 PHE 62 HD1 PHE 62 5.686 -7.979 1.928 464 HD2 PHE 62 HD2 PHE 62 9.566 -9.556 2.611 465 HE1 PHE 62 HE1 PHE 62 4.878 -9.047 4.051 466 HE2 PHE 62 HE2 PHE 62 8.758 -10.624 4.734 467 HZ PHE 62 HZ PHE 62 6.424 -10.357 5.429 468 H GLU 63 H GLU 63 8.453 -5.978 -1.665 469 HA GLU 63 HA GLU 63 11.224 -5.696 -1.440 470 1HB GLU 63 1HB GLU 63 9.255 -4.841 -3.603 471 2HB GLU 63 2HB GLU 63 10.992 -4.706 -3.785 472 1HG GLU 63 1HG GLU 63 10.085 -7.379 -2.846 473 2HG GLU 63 2HG GLU 63 9.492 -6.948 -4.438 474 H VAL 64 H VAL 64 8.534 -3.284 -1.815 475 HA VAL 64 HA VAL 64 10.257 -1.055 -1.649 476 HB VAL 64 HB VAL 64 7.297 -1.523 -1.450 477 1HG1 VAL 64 1HG1 VAL 64 7.046 0.336 -0.227 478 2HG1 VAL 64 2HG1 VAL 64 8.764 0.769 -0.390 479 3HG1 VAL 64 3HG1 VAL 64 7.605 1.236 -1.657 480 1HG2 VAL 64 1HG2 VAL 64 9.090 -0.070 -3.422 481 2HG2 VAL 64 2HG2 VAL 64 8.230 -1.608 -3.674 482 3HG2 VAL 64 3HG2 VAL 64 7.312 -0.093 -3.501 483 H LYS 65 H LYS 65 8.345 -2.962 0.726 484 HA LYS 65 HA LYS 65 8.724 -1.221 2.881 485 1HB LYS 65 1HB LYS 65 6.995 -2.900 2.905 486 2HB LYS 65 2HB LYS 65 8.164 -4.195 2.742 487 1HG LYS 65 1HG LYS 65 9.184 -3.027 4.965 488 2HG LYS 65 2HG LYS 65 7.521 -2.504 5.146 489 1HD LYS 65 1HD LYS 65 6.727 -4.654 5.504 490 2HD LYS 65 2HD LYS 65 7.904 -5.388 4.433 491 1HE LYS 65 1HE LYS 65 9.467 -4.314 6.525 492 2HE LYS 65 2HE LYS 65 8.051 -4.950 7.340 493 1HZ LYS 65 1HZ LYS 65 8.670 -6.868 5.554 494 2HZ LYS 65 2HZ LYS 65 10.143 -6.351 6.035 495 3HZ LYS 65 3HZ LYS 65 9.066 -6.888 7.138 496 H ALA 66 H ALA 66 10.743 -3.778 1.417 497 HA ALA 66 HA ALA 66 12.548 -4.092 3.506 498 1HB ALA 66 1HB ALA 66 12.911 -5.692 1.927 499 2HB ALA 66 2HB ALA 66 12.414 -4.629 0.588 500 3HB ALA 66 3HB ALA 66 14.056 -4.501 1.264 501 H ILE 67 H ILE 67 12.674 -1.899 0.610 502 HA ILE 67 HA ILE 67 15.041 -0.632 1.450 503 HB ILE 67 HB ILE 67 12.875 0.175 -0.490 504 1HG1 ILE 67 1HG1 ILE 67 15.444 -0.519 -1.625 505 2HG1 ILE 67 2HG1 ILE 67 14.864 -1.825 -0.611 506 1HG2 ILE 67 1HG2 ILE 67 14.038 2.169 0.285 507 2HG2 ILE 67 2HG2 ILE 67 15.610 1.409 -0.059 508 3HG2 ILE 67 3HG2 ILE 67 14.494 1.787 -1.393 509 1HD1 ILE 67 1HD1 ILE 67 12.556 -1.415 -1.836 510 2HD1 ILE 67 2HD1 ILE 67 13.568 -0.606 -3.057 511 3HD1 ILE 67 3HD1 ILE 67 13.844 -2.321 -2.667 512 H VAL 68 H VAL 68 11.539 0.055 1.912 513 HA VAL 68 HA VAL 68 11.858 2.573 3.063 514 HB VAL 68 HB VAL 68 9.766 0.425 3.130 515 1HG1 VAL 68 1HG1 VAL 68 9.146 1.171 5.178 516 2HG1 VAL 68 2HG1 VAL 68 10.030 2.707 5.008 517 3HG1 VAL 68 3HG1 VAL 68 8.434 2.510 4.245 518 1HG2 VAL 68 1HG2 VAL 68 8.471 2.454 2.125 519 2HG2 VAL 68 2HG2 VAL 68 10.092 3.145 1.878 520 3HG2 VAL 68 3HG2 VAL 68 9.662 1.593 1.120 521 H PHE 69 H PHE 69 11.649 -0.728 4.552 522 HA PHE 69 HA PHE 69 12.324 0.429 7.120 523 1HB PHE 69 1HB PHE 69 11.603 -2.330 5.992 524 2HB PHE 69 2HB PHE 69 12.130 -2.158 7.654 525 HD1 PHE 69 HD1 PHE 69 9.601 -0.768 5.288 526 HD2 PHE 69 HD2 PHE 69 10.541 -1.798 9.296 527 HE1 PHE 69 HE1 PHE 69 7.249 -0.229 5.979 528 HE2 PHE 69 HE2 PHE 69 8.189 -1.259 9.986 529 HZ PHE 69 HZ PHE 69 6.571 -0.481 8.319 530 H GLN 70 H GLN 70 14.384 0.799 5.202 531 HA GLN 70 HA GLN 70 16.251 -1.338 5.611 532 1HB GLN 70 1HB GLN 70 17.606 -0.256 3.992 533 2HB GLN 70 2HB GLN 70 15.966 0.037 3.446 534 1HG GLN 70 1HG GLN 70 16.007 2.287 4.552 535 2HG GLN 70 2HG GLN 70 17.651 1.993 5.082 536 1HE2 GLN 70 1HE2 GLN 70 15.638 1.904 2.149 537 2HE2 GLN 70 2HE2 GLN 70 16.808 2.568 1.057 538 H ASP 71 H ASP 71 18.707 -0.110 5.915 539 HA ASP 71 HA ASP 71 18.387 1.033 8.566 540 1HB ASP 71 1HB ASP 71 19.768 -0.919 8.641 541 2HB ASP 71 2HB ASP 71 20.612 -0.486 7.167 542 H GLY 72 H GLY 72 19.391 3.075 9.048 543 1HA GLY 72 1HA GLY 72 20.961 4.780 8.572 544 2HA GLY 72 2HA GLY 72 20.901 4.364 6.871 545 HA PRO 73 HA PRO 73 18.044 7.846 7.505 546 1HB PRO 73 1HB PRO 73 19.171 9.593 5.731 547 2HB PRO 73 2HB PRO 73 19.538 9.598 7.444 548 1HG PRO 73 1HG PRO 73 21.187 8.609 5.199 549 2HG PRO 73 2HG PRO 73 21.683 9.013 6.831 550 1HD PRO 73 1HD PRO 73 21.301 6.382 5.756 551 2HD PRO 73 2HD PRO 73 21.683 6.790 7.417 552 H GLY 74 H GLY 74 18.836 5.679 5.177 553 1HA GLY 74 1HA GLY 74 17.276 6.706 3.019 554 2HA GLY 74 2HA GLY 74 17.904 5.081 3.207 555 H SER 75 H SER 75 16.680 4.591 5.865 556 HA SER 75 HA SER 75 14.409 3.366 5.121 557 1HB SER 75 1HB SER 75 13.767 3.527 7.602 558 2HB SER 75 2HB SER 75 15.339 2.838 7.248 559 HG SER 75 HG SER 75 16.340 4.838 7.790 560 H HIS 76 H HIS 76 12.107 3.840 5.323 561 HA HIS 76 HA HIS 76 11.581 6.723 5.309 562 1HB HIS 76 1HB HIS 76 10.203 4.486 3.800 563 2HB HIS 76 2HB HIS 76 9.615 6.136 3.866 564 HD1 HIS 76 HD1 HIS 76 11.521 7.998 2.979 565 HD2 HIS 76 HD2 HIS 76 11.877 4.021 1.692 566 HE1 HIS 76 HE1 HIS 76 13.003 8.048 0.903 567 HA PRO 77 HA PRO 77 9.400 5.307 8.915 568 1HB PRO 77 1HB PRO 77 9.621 7.630 10.338 569 2HB PRO 77 2HB PRO 77 10.800 6.336 10.425 570 1HG PRO 77 1HG PRO 77 11.004 8.939 9.038 571 2HG PRO 77 2HG PRO 77 12.286 7.835 9.495 572 1HD PRO 77 1HD PRO 77 11.195 8.205 6.868 573 2HD PRO 77 2HD PRO 77 12.395 7.021 7.347 574 H ASP 78 H ASP 78 8.829 7.723 6.645 575 HA ASP 78 HA ASP 78 6.300 8.406 7.813 576 1HB ASP 78 1HB ASP 78 7.895 9.268 5.393 577 2HB ASP 78 2HB ASP 78 6.175 9.603 5.415 578 H GLN 79 H GLN 79 7.739 6.515 5.113 579 HA GLN 79 HA GLN 79 5.133 5.869 4.090 580 1HB GLN 79 1HB GLN 79 7.893 4.909 3.210 581 2HB GLN 79 2HB GLN 79 6.396 4.640 2.339 582 1HG GLN 79 1HG GLN 79 6.147 6.945 1.791 583 2HG GLN 79 2HG GLN 79 7.239 7.465 3.059 584 1HE2 GLN 79 1HE2 GLN 79 6.975 5.890 -0.064 585 2HE2 GLN 79 2HE2 GLN 79 8.605 6.135 -0.598 586 H GLN 80 H GLN 80 7.381 4.691 6.437 587 HA GLN 80 HA GLN 80 7.213 2.005 6.232 588 1HB GLN 80 1HB GLN 80 7.648 3.959 8.416 589 2HB GLN 80 2HB GLN 80 7.054 2.408 8.976 590 1HG GLN 80 1HG GLN 80 8.923 1.227 8.125 591 2HG GLN 80 2HG GLN 80 9.316 2.480 6.964 592 1HE2 GLN 80 1HE2 GLN 80 11.180 3.348 7.428 593 2HE2 GLN 80 2HE2 GLN 80 11.759 3.829 8.988 594 HA PRO 81 HA PRO 81 3.039 2.213 8.494 595 1HB PRO 81 1HB PRO 81 1.733 4.606 8.690 596 2HB PRO 81 2HB PRO 81 2.732 3.951 9.972 597 1HG PRO 81 1HG PRO 81 3.333 6.154 8.095 598 2HG PRO 81 2HG PRO 81 4.107 5.770 9.620 599 1HD PRO 81 1HD PRO 81 5.134 5.243 6.994 600 2HD PRO 81 2HD PRO 81 5.851 4.756 8.517 601 H TYR 82 H TYR 82 3.633 4.077 5.682 602 HA TYR 82 HA TYR 82 0.991 3.750 4.639 603 1HB TYR 82 1HB TYR 82 3.779 4.555 3.632 604 2HB TYR 82 2HB TYR 82 2.423 4.482 2.524 605 HD1 TYR 82 HD1 TYR 82 2.929 5.855 5.991 606 HD2 TYR 82 HD2 TYR 82 1.600 6.575 1.988 607 HE1 TYR 82 HE1 TYR 82 2.272 8.228 6.627 608 HE2 TYR 82 HE2 TYR 82 0.948 8.945 2.638 609 HH TYR 82 HH TYR 82 1.116 10.005 5.991 610 H ILE 83 H ILE 83 4.239 2.265 3.985 611 HA ILE 83 HA ILE 83 3.211 0.488 2.042 612 HB ILE 83 HB ILE 83 5.541 1.279 2.161 613 1HG1 ILE 83 1HG1 ILE 83 6.590 -0.969 1.715 614 2HG1 ILE 83 2HG1 ILE 83 5.091 -1.716 2.228 615 1HG2 ILE 83 1HG2 ILE 83 7.031 0.760 3.819 616 2HG2 ILE 83 2HG2 ILE 83 5.532 0.894 4.770 617 3HG2 ILE 83 3HG2 ILE 83 6.153 -0.709 4.309 618 1HD1 ILE 83 1HD1 ILE 83 3.935 -1.044 0.342 619 2HD1 ILE 83 2HD1 ILE 83 4.850 0.476 0.196 620 3HD1 ILE 83 3HD1 ILE 83 5.575 -1.055 -0.350 621 H THR 84 H THR 84 3.458 0.477 5.575 622 HA THR 84 HA THR 84 3.252 -2.283 5.991 623 HB THR 84 HB THR 84 2.500 0.212 7.584 624 HG1 THR 84 HG1 THR 84 4.679 -0.072 7.853 625 1HG2 THR 84 1HG2 THR 84 1.357 -1.146 9.036 626 2HG2 THR 84 2HG2 THR 84 1.815 -2.606 8.127 627 3HG2 THR 84 3HG2 THR 84 2.917 -1.941 9.357 628 H VAL 85 H VAL 85 0.663 0.247 5.806 629 HA VAL 85 HA VAL 85 -1.459 -1.468 6.209 630 HB VAL 85 HB VAL 85 -1.181 1.083 4.620 631 1HG1 VAL 85 1HG1 VAL 85 -3.793 1.075 5.183 632 2HG1 VAL 85 2HG1 VAL 85 -3.143 0.371 3.683 633 3HG1 VAL 85 3HG1 VAL 85 -3.550 -0.684 5.058 634 1HG2 VAL 85 1HG2 VAL 85 -2.714 0.997 7.152 635 2HG2 VAL 85 2HG2 VAL 85 -0.964 0.712 7.306 636 3HG2 VAL 85 3HG2 VAL 85 -1.558 2.207 6.546 637 H TRP 86 H TRP 86 0.277 -0.574 3.169 638 HA TRP 86 HA TRP 86 -1.365 -1.855 1.375 639 1HB TRP 86 1HB TRP 86 1.506 -1.083 1.453 640 2HB TRP 86 2HB TRP 86 1.015 -2.222 0.215 641 HD1 TRP 86 HD1 TRP 86 0.400 1.439 1.287 642 HE1 TRP 86 HE1 TRP 86 -0.629 2.850 -0.691 643 HE3 TRP 86 HE3 TRP 86 -0.318 -2.501 -1.847 644 HZ2 TRP 86 HZ2 TRP 86 -1.605 2.175 -3.287 645 HZ3 TRP 86 HZ3 TRP 86 -1.314 -2.038 -4.085 646 HH2 TRP 86 HH2 TRP 86 -1.950 0.204 -4.821 647 H GLN 87 H GLN 87 1.169 -3.113 3.588 648 HA GLN 87 HA GLN 87 1.182 -5.684 2.467 649 1HB GLN 87 1HB GLN 87 2.975 -4.576 3.940 650 2HB GLN 87 2HB GLN 87 1.955 -4.944 5.317 651 1HG GLN 87 1HG GLN 87 1.970 -7.399 4.142 652 2HG GLN 87 2HG GLN 87 3.509 -6.809 3.548 653 1HE2 GLN 87 1HE2 GLN 87 2.691 -8.878 5.557 654 2HE2 GLN 87 2HE2 GLN 87 3.597 -8.534 6.992 655 H ASP 88 H ASP 88 -0.594 -4.113 5.177 656 HA ASP 88 HA ASP 88 -1.704 -6.433 6.193 657 1HB ASP 88 1HB ASP 88 -1.723 -3.789 6.888 658 2HB ASP 88 2HB ASP 88 -3.337 -3.915 6.218 659 H LEU 89 H LEU 89 -2.627 -4.172 3.553 660 HA LEU 89 HA LEU 89 -5.237 -5.004 3.149 661 1HB LEU 89 1HB LEU 89 -3.124 -3.750 1.437 662 2HB LEU 89 2HB LEU 89 -4.632 -4.270 0.711 663 HG LEU 89 HG LEU 89 -4.739 -2.524 3.145 664 1HD1 LEU 89 1HD1 LEU 89 -3.436 -1.782 0.657 665 2HD1 LEU 89 2HD1 LEU 89 -4.848 -0.752 0.998 666 3HD1 LEU 89 3HD1 LEU 89 -3.545 -0.903 2.201 667 1HD2 LEU 89 1HD2 LEU 89 -6.531 -1.907 0.948 668 2HD2 LEU 89 2HD2 LEU 89 -6.625 -3.624 1.408 669 3HD2 LEU 89 3HD2 LEU 89 -6.894 -2.359 2.631 670 H VAL 90 H VAL 90 -2.180 -6.173 1.572 671 HA VAL 90 HA VAL 90 -3.303 -8.096 -0.018 672 HB VAL 90 HB VAL 90 -0.666 -8.071 1.461 673 1HG1 VAL 90 1HG1 VAL 90 -1.343 -9.685 -1.013 674 2HG1 VAL 90 2HG1 VAL 90 0.139 -9.750 -0.029 675 3HG1 VAL 90 3HG1 VAL 90 -1.398 -10.351 0.637 676 1HG2 VAL 90 1HG2 VAL 90 -0.712 -6.169 0.086 677 2HG2 VAL 90 2HG2 VAL 90 0.131 -7.391 -0.896 678 3HG2 VAL 90 3HG2 VAL 90 -1.578 -7.016 -1.218 679 H GLN 91 H GLN 91 -1.808 -8.708 3.244 680 HA GLN 91 HA GLN 91 -2.496 -11.240 3.574 681 1HB GLN 91 1HB GLN 91 -2.377 -8.922 5.499 682 2HB GLN 91 2HB GLN 91 -2.936 -10.471 6.099 683 1HG GLN 91 1HG GLN 91 -0.831 -11.526 5.105 684 2HG GLN 91 2HG GLN 91 -0.264 -9.910 4.732 685 1HE2 GLN 91 1HE2 GLN 91 1.492 -10.781 6.147 686 2HE2 GLN 91 2HE2 GLN 91 1.394 -10.482 7.850 687 H ASN 92 H ASN 92 -4.626 -8.578 4.861 688 HA ASN 92 HA ASN 92 -6.810 -10.441 4.844 689 1HB ASN 92 1HB ASN 92 -6.313 -7.663 5.940 690 2HB ASN 92 2HB ASN 92 -7.976 -8.152 5.686 691 1HD2 ASN 92 1HD2 ASN 92 -5.230 -8.349 7.660 692 2HD2 ASN 92 2HD2 ASN 92 -5.788 -9.501 8.827 693 H SER 93 H SER 93 -6.673 -10.514 2.344 694 HA SER 93 HA SER 93 -7.059 -8.318 0.771 695 1HB SER 93 1HB SER 93 -7.630 -9.856 -0.978 696 2HB SER 93 2HB SER 93 -6.493 -10.696 0.057 697 HG SER 93 HG SER 93 -8.864 -11.261 1.110 698 HA PRO 94 HA PRO 94 -11.203 -7.383 1.948 699 1HB PRO 94 1HB PRO 94 -11.373 -4.962 0.693 700 2HB PRO 94 2HB PRO 94 -10.719 -5.161 2.306 701 1HG PRO 94 1HG PRO 94 -9.281 -4.675 -0.231 702 2HG PRO 94 2HG PRO 94 -8.713 -4.456 1.413 703 1HD PRO 94 1HD PRO 94 -8.055 -6.616 -0.357 704 2HD PRO 94 2HD PRO 94 -7.582 -6.456 1.322 705 HA PRO 95 HA PRO 95 -13.602 -8.486 -1.372 706 1HB PRO 95 1HB PRO 95 -16.028 -7.340 -0.849 707 2HB PRO 95 2HB PRO 95 -15.481 -8.819 -0.083 708 1HG PRO 95 1HG PRO 95 -15.647 -6.094 1.053 709 2HG PRO 95 2HG PRO 95 -15.518 -7.628 1.892 710 1HD PRO 95 1HD PRO 95 -13.419 -5.717 1.476 711 2HD PRO 95 2HD PRO 95 -13.265 -7.300 2.212 712 H TRP 96 H TRP 96 -13.190 -5.142 -0.746 713 HA TRP 96 HA TRP 96 -14.307 -4.356 -3.272 714 1HB TRP 96 1HB TRP 96 -13.426 -2.126 -2.639 715 2HB TRP 96 2HB TRP 96 -14.538 -2.827 -1.481 716 HD1 TRP 96 HD1 TRP 96 -13.528 -3.441 0.959 717 HE1 TRP 96 HE1 TRP 96 -11.324 -2.832 2.277 718 HE3 TRP 96 HE3 TRP 96 -10.961 -1.720 -3.079 719 HZ2 TRP 96 HZ2 TRP 96 -8.811 -1.725 1.500 720 HZ3 TRP 96 HZ3 TRP 96 -8.638 -0.894 -2.713 721 HH2 TRP 96 HH2 TRP 96 -7.560 -0.878 -0.519 722 H ILE 97 H ILE 97 -11.450 -5.880 -2.184 723 HA ILE 97 HA ILE 97 -9.855 -4.712 -4.340 724 HB ILE 97 HB ILE 97 -9.271 -5.985 -1.730 725 1HG1 ILE 97 1HG1 ILE 97 -8.098 -3.720 -3.362 726 2HG1 ILE 97 2HG1 ILE 97 -9.081 -3.601 -1.916 727 1HG2 ILE 97 1HG2 ILE 97 -7.011 -6.632 -2.384 728 2HG2 ILE 97 2HG2 ILE 97 -8.230 -7.572 -3.278 729 3HG2 ILE 97 3HG2 ILE 97 -7.373 -6.233 -4.080 730 1HD1 ILE 97 1HD1 ILE 97 -6.727 -3.262 -1.324 731 2HD1 ILE 97 2HD1 ILE 97 -7.286 -4.800 -0.622 732 3HD1 ILE 97 3HD1 ILE 97 -6.281 -4.805 -2.092 733 H LYS 98 H LYS 98 -10.532 -7.972 -2.871 734 HA LYS 98 HA LYS 98 -10.303 -9.047 -5.594 735 1HB LYS 98 1HB LYS 98 -9.548 -10.157 -2.899 736 2HB LYS 98 2HB LYS 98 -9.914 -11.239 -4.228 737 1HG LYS 98 1HG LYS 98 -8.116 -9.022 -5.015 738 2HG LYS 98 2HG LYS 98 -7.442 -10.025 -3.746 739 1HD LYS 98 1HD LYS 98 -6.832 -11.483 -5.379 740 2HD LYS 98 2HD LYS 98 -8.527 -11.909 -5.510 741 1HE LYS 98 1HE LYS 98 -8.663 -10.974 -7.574 742 2HE LYS 98 2HE LYS 98 -8.073 -9.439 -6.968 743 1HZ LYS 98 1HZ LYS 98 -6.639 -10.453 -8.646 744 2HZ LYS 98 2HZ LYS 98 -5.851 -10.198 -7.238 745 3HZ LYS 98 3HZ LYS 98 -6.330 -11.705 -7.644 746 H SER 99 H SER 99 -12.198 -9.576 -6.525 747 HA SER 99 HA SER 99 -14.390 -10.178 -4.703 748 1HB SER 99 1HB SER 99 -14.763 -8.207 -6.145 749 2HB SER 99 2HB SER 99 -14.432 -9.159 -7.578 750 HG SER 99 HG SER 99 -16.485 -10.055 -5.798 751 H GLY 100 H GLY 100 -15.480 -12.159 -4.889 752 1HA GLY 100 1HA GLY 100 -15.245 -13.802 -7.224 753 2HA GLY 100 2HA GLY 100 -14.233 -14.369 -5.911 754 HA PRO 101 HA PRO 101 -18.680 -15.595 -5.279 755 1HB PRO 101 1HB PRO 101 -18.758 -18.098 -6.374 756 2HB PRO 101 2HB PRO 101 -19.332 -16.668 -7.209 757 1HG PRO 101 1HG PRO 101 -16.841 -18.198 -7.650 758 2HG PRO 101 2HG PRO 101 -17.631 -17.055 -8.718 759 1HD PRO 101 1HD PRO 101 -15.296 -16.580 -7.121 760 2HD PRO 101 2HD PRO 101 -16.153 -15.406 -8.098 761 H SER 102 H SER 102 -15.956 -17.837 -5.276 762 HA SER 102 HA SER 102 -15.118 -19.068 -3.699 763 1HB SER 102 1HB SER 102 -16.490 -16.961 -2.041 764 2HB SER 102 2HB SER 102 -15.870 -18.375 -1.213 765 HG SER 102 HG SER 102 -14.217 -16.822 -1.243 766 H SER 103 H SER 103 -16.371 -20.897 -4.531 767 HA SER 103 HA SER 103 -18.945 -21.442 -3.679 768 1HB SER 103 1HB SER 103 -18.603 -23.643 -4.635 769 2HB SER 103 2HB SER 103 -17.778 -22.478 -5.651 770 HG SER 103 HG SER 103 -15.766 -23.055 -4.638 771 H GLY 104 H GLY 104 -19.563 -21.741 -1.567 772 1HA GLY 104 1HA GLY 104 -19.668 -23.150 0.302 773 2HA GLY 104 2HA GLY 104 -17.998 -23.623 0.056 Start of MODEL 2 1 1H GLY 0 1H GLY 0 -5.450 -9.079 -8.065 2 1HA GLY 0 1HA GLY 0 -3.088 -9.023 -6.306 3 2HA GLY 0 2HA GLY 0 -4.290 -10.294 -6.400 4 H SER 1 H SER 1 -1.458 -8.812 -7.977 5 HA SER 1 HA SER 1 -0.014 -9.561 -9.412 6 1HB SER 1 1HB SER 1 -0.771 -11.871 -7.900 7 2HB SER 1 2HB SER 1 -0.606 -12.395 -9.564 8 HG SER 1 HG SER 1 1.398 -10.815 -8.199 9 H SER 2 H SER 2 -0.610 -8.736 -11.413 10 HA SER 2 HA SER 2 -1.386 -8.674 -13.438 11 1HB SER 2 1HB SER 2 -0.612 -11.251 -13.214 12 2HB SER 2 2HB SER 2 -2.323 -11.531 -13.470 13 HG SER 2 HG SER 2 -0.405 -10.317 -15.223 14 H GLY 3 H GLY 3 -3.240 -7.511 -13.779 15 1HA GLY 3 1HA GLY 3 -5.794 -8.744 -12.938 16 2HA GLY 3 2HA GLY 3 -5.418 -7.062 -12.620 17 H SER 4 H SER 4 -7.519 -6.828 -13.929 18 HA SER 4 HA SER 4 -6.781 -6.708 -16.747 19 1HB SER 4 1HB SER 4 -9.116 -7.956 -15.438 20 2HB SER 4 2HB SER 4 -9.571 -6.846 -16.715 21 HG SER 4 HG SER 4 -7.761 -8.079 -17.967 22 H SER 5 H SER 5 -9.257 -5.517 -14.350 23 HA SER 5 HA SER 5 -8.717 -2.848 -15.375 24 1HB SER 5 1HB SER 5 -11.096 -4.268 -15.833 25 2HB SER 5 2HB SER 5 -11.497 -3.227 -14.481 26 HG SER 5 HG SER 5 -10.535 -1.429 -15.808 27 H GLY 6 H GLY 6 -9.628 -1.120 -13.761 28 1HA GLY 6 1HA GLY 6 -9.865 -0.303 -11.666 29 2HA GLY 6 2HA GLY 6 -10.080 -1.933 -11.058 30 H THR 7 H THR 7 -8.182 0.696 -10.655 31 HA THR 7 HA THR 7 -5.656 -0.780 -10.489 32 HB THR 7 HB THR 7 -4.852 1.666 -10.030 33 HG1 THR 7 HG1 THR 7 -7.244 2.184 -9.591 34 1HG2 THR 7 1HG2 THR 7 -6.007 2.117 -12.611 35 2HG2 THR 7 2HG2 THR 7 -4.350 1.571 -12.256 36 3HG2 THR 7 3HG2 THR 7 -5.643 0.377 -12.520 37 HA PRO 8 HA PRO 8 -5.836 -1.075 -6.214 38 1HB PRO 8 1HB PRO 8 -3.192 -1.065 -5.523 39 2HB PRO 8 2HB PRO 8 -4.011 -2.478 -6.156 40 1HG PRO 8 1HG PRO 8 -2.106 -0.676 -7.518 41 2HG PRO 8 2HG PRO 8 -2.597 -2.296 -7.969 42 1HD PRO 8 1HD PRO 8 -3.474 0.158 -9.166 43 2HD PRO 8 2HD PRO 8 -4.052 -1.454 -9.537 44 H LEU 9 H LEU 9 -3.585 1.434 -7.242 45 HA LEU 9 HA LEU 9 -3.570 2.850 -4.881 46 1HB LEU 9 1HB LEU 9 -2.292 3.078 -7.177 47 2HB LEU 9 2HB LEU 9 -3.535 4.268 -7.510 48 HG LEU 9 HG LEU 9 -1.237 4.381 -5.647 49 1HD1 LEU 9 1HD1 LEU 9 -2.286 6.929 -6.390 50 2HD1 LEU 9 2HD1 LEU 9 -0.789 6.131 -6.929 51 3HD1 LEU 9 3HD1 LEU 9 -2.307 5.870 -7.822 52 1HD2 LEU 9 1HD2 LEU 9 -2.451 6.143 -4.260 53 2HD2 LEU 9 2HD2 LEU 9 -3.961 5.432 -4.879 54 3HD2 LEU 9 3HD2 LEU 9 -2.835 4.438 -3.924 55 H SER 10 H SER 10 -5.837 3.097 -7.694 56 HA SER 10 HA SER 10 -7.318 5.166 -6.581 57 1HB SER 10 1HB SER 10 -7.248 4.095 -9.017 58 2HB SER 10 2HB SER 10 -8.568 3.114 -8.413 59 HG SER 10 HG SER 10 -9.855 4.917 -8.139 60 H LEU 11 H LEU 11 -7.698 1.567 -6.539 61 HA LEU 11 HA LEU 11 -10.145 1.464 -5.256 62 1HB LEU 11 1HB LEU 11 -7.784 -0.398 -5.348 63 2HB LEU 11 2HB LEU 11 -9.236 -0.797 -4.453 64 HG LEU 11 HG LEU 11 -9.454 -0.011 -7.344 65 1HD1 LEU 11 1HD1 LEU 11 -7.683 -1.945 -6.714 66 2HD1 LEU 11 2HD1 LEU 11 -9.180 -2.906 -6.781 67 3HD1 LEU 11 3HD1 LEU 11 -8.673 -1.949 -8.193 68 1HD2 LEU 11 1HD2 LEU 11 -11.359 -0.524 -5.534 69 2HD2 LEU 11 2HD2 LEU 11 -11.531 -0.916 -7.262 70 3HD2 LEU 11 3HD2 LEU 11 -11.061 -2.183 -6.104 71 H THR 12 H THR 12 -6.797 1.497 -3.861 72 HA THR 12 HA THR 12 -7.678 1.451 -1.185 73 HB THR 12 HB THR 12 -5.238 2.335 -0.882 74 HG1 THR 12 HG1 THR 12 -4.867 3.292 -2.907 75 1HG2 THR 12 1HG2 THR 12 -4.863 0.078 -0.801 76 2HG2 THR 12 2HG2 THR 12 -6.189 -0.235 -1.947 77 3HG2 THR 12 3HG2 THR 12 -4.561 0.151 -2.554 78 H LEU 13 H LEU 13 -7.308 4.053 -3.572 79 HA LEU 13 HA LEU 13 -7.427 6.121 -1.616 80 1HB LEU 13 1HB LEU 13 -7.368 5.900 -4.573 81 2HB LEU 13 2HB LEU 13 -8.093 7.351 -3.909 82 HG LEU 13 HG LEU 13 -6.112 8.142 -3.059 83 1HD1 LEU 13 1HD1 LEU 13 -5.208 6.715 -1.567 84 2HD1 LEU 13 2HD1 LEU 13 -5.495 5.286 -2.589 85 3HD1 LEU 13 3HD1 LEU 13 -4.100 6.344 -2.910 86 1HD2 LEU 13 1HD2 LEU 13 -5.660 8.319 -5.307 87 2HD2 LEU 13 2HD2 LEU 13 -4.237 7.413 -4.739 88 3HD2 LEU 13 3HD2 LEU 13 -5.574 6.558 -5.546 89 H ASP 14 H ASP 14 -9.765 4.438 -3.779 90 HA ASP 14 HA ASP 14 -11.904 6.085 -3.276 91 1HB ASP 14 1HB ASP 14 -11.531 3.221 -4.120 92 2HB ASP 14 2HB ASP 14 -13.142 3.690 -3.614 93 H HIS 15 H HIS 15 -10.482 3.313 -1.487 94 HA HIS 15 HA HIS 15 -12.560 3.626 0.549 95 1HB HIS 15 1HB HIS 15 -10.832 1.302 -0.281 96 2HB HIS 15 2HB HIS 15 -11.548 1.355 1.318 97 HD1 HIS 15 HD1 HIS 15 -14.370 2.195 0.946 98 HD2 HIS 15 HD2 HIS 15 -12.420 -0.238 -1.861 99 HE1 HIS 15 HE1 HIS 15 -16.206 0.980 -0.344 100 H TRP 16 H TRP 16 -10.467 5.576 0.271 101 HA TRP 16 HA TRP 16 -8.192 5.181 1.707 102 1HB TRP 16 1HB TRP 16 -8.715 7.212 0.470 103 2HB TRP 16 2HB TRP 16 -9.956 7.635 1.633 104 HD1 TRP 16 HD1 TRP 16 -9.044 9.561 3.131 105 HE1 TRP 16 HE1 TRP 16 -6.800 10.247 4.338 106 HE3 TRP 16 HE3 TRP 16 -6.306 5.638 1.410 107 HZ2 TRP 16 HZ2 TRP 16 -4.189 9.097 4.435 108 HZ3 TRP 16 HZ3 TRP 16 -3.917 5.494 2.108 109 HH2 TRP 16 HH2 TRP 16 -2.854 7.141 3.567 110 H SER 17 H SER 17 -11.568 5.630 2.831 111 HA SER 17 HA SER 17 -11.079 6.140 5.464 112 1HB SER 17 1HB SER 17 -13.310 5.970 4.062 113 2HB SER 17 2HB SER 17 -13.335 4.307 4.613 114 HG SER 17 HG SER 17 -13.997 4.963 6.536 115 H GLU 18 H GLU 18 -11.306 2.981 3.715 116 HA GLU 18 HA GLU 18 -11.084 1.409 5.996 117 1HB GLU 18 1HB GLU 18 -11.911 0.361 4.029 118 2HB GLU 18 2HB GLU 18 -10.580 0.937 3.044 119 1HG GLU 18 1HG GLU 18 -10.295 -1.464 3.536 120 2HG GLU 18 2HG GLU 18 -9.001 -0.540 4.273 121 H ILE 19 H ILE 19 -8.657 2.835 3.754 122 HA ILE 19 HA ILE 19 -6.453 1.462 4.846 123 HB ILE 19 HB ILE 19 -6.401 4.130 3.451 124 1HG1 ILE 19 1HG1 ILE 19 -7.828 2.874 2.059 125 2HG1 ILE 19 2HG1 ILE 19 -6.239 2.757 1.331 126 1HG2 ILE 19 1HG2 ILE 19 -4.278 3.360 4.384 127 2HG2 ILE 19 2HG2 ILE 19 -4.445 1.815 3.517 128 3HG2 ILE 19 3HG2 ILE 19 -4.248 3.331 2.604 129 1HD1 ILE 19 1HD1 ILE 19 -7.202 0.536 1.321 130 2HD1 ILE 19 2HD1 ILE 19 -5.920 0.545 2.557 131 3HD1 ILE 19 3HD1 ILE 19 -7.629 0.653 3.045 132 H ARG 20 H ARG 20 -8.190 4.474 5.670 133 HA ARG 20 HA ARG 20 -6.200 5.378 7.423 134 1HB ARG 20 1HB ARG 20 -9.161 6.031 7.086 135 2HB ARG 20 2HB ARG 20 -8.187 6.817 8.312 136 1HG ARG 20 1HG ARG 20 -6.530 7.256 6.249 137 2HG ARG 20 2HG ARG 20 -7.989 7.030 5.306 138 1HD ARG 20 1HD ARG 20 -7.682 9.027 7.602 139 2HD ARG 20 2HD ARG 20 -7.609 9.435 5.899 140 HE ARG 20 HE ARG 20 -10.036 8.108 6.138 141 1HH1 ARG 20 1HH1 ARG 20 -8.578 10.873 7.754 142 2HH1 ARG 20 2HH1 ARG 20 -10.095 11.644 8.080 143 1HH2 ARG 20 1HH2 ARG 20 -12.037 9.125 6.568 144 2HH2 ARG 20 2HH2 ARG 20 -12.075 10.643 7.400 145 H SER 21 H SER 21 -8.858 3.065 7.626 146 HA SER 21 HA SER 21 -9.105 3.167 10.434 147 1HB SER 21 1HB SER 21 -10.484 1.970 8.276 148 2HB SER 21 2HB SER 21 -9.901 0.618 9.227 149 HG SER 21 HG SER 21 -11.075 2.783 10.654 150 H ARG 22 H ARG 22 -7.446 0.983 8.063 151 HA ARG 22 HA ARG 22 -6.535 -0.856 9.852 152 1HB ARG 22 1HB ARG 22 -4.990 0.154 7.414 153 2HB ARG 22 2HB ARG 22 -4.859 -1.434 8.142 154 1HG ARG 22 1HG ARG 22 -7.646 -0.974 7.556 155 2HG ARG 22 2HG ARG 22 -6.727 -0.533 6.130 156 1HD ARG 22 1HD ARG 22 -5.464 -2.804 6.482 157 2HD ARG 22 2HD ARG 22 -6.776 -3.215 7.568 158 HE ARG 22 HE ARG 22 -7.769 -2.218 5.021 159 1HH1 ARG 22 1HH1 ARG 22 -6.490 -5.072 6.632 160 2HH1 ARG 22 2HH1 ARG 22 -7.256 -6.185 5.549 161 1HH2 ARG 22 1HH2 ARG 22 -8.782 -3.685 3.591 162 2HH2 ARG 22 2HH2 ARG 22 -8.569 -5.391 3.807 163 H ALA 23 H ALA 23 -5.394 2.434 9.126 164 HA ALA 23 HA ALA 23 -2.842 2.144 10.330 165 1HB ALA 23 1HB ALA 23 -2.561 4.188 9.426 166 2HB ALA 23 2HB ALA 23 -4.207 4.032 8.768 167 3HB ALA 23 3HB ALA 23 -3.946 4.849 10.328 168 H HIS 24 H HIS 24 -6.121 3.099 11.433 169 HA HIS 24 HA HIS 24 -5.287 4.054 13.934 170 1HB HIS 24 1HB HIS 24 -7.674 3.873 12.473 171 2HB HIS 24 2HB HIS 24 -7.969 2.930 13.920 172 HD1 HIS 24 HD1 HIS 24 -8.592 4.216 15.988 173 HD2 HIS 24 HD2 HIS 24 -6.738 6.631 13.103 174 HE1 HIS 24 HE1 HIS 24 -8.728 6.609 16.865 175 H ASN 25 H ASN 25 -6.311 0.825 12.711 176 HA ASN 25 HA ASN 25 -6.388 -0.378 15.212 177 1HB ASN 25 1HB ASN 25 -6.889 -1.134 12.550 178 2HB ASN 25 2HB ASN 25 -5.516 -2.133 12.983 179 1HD2 ASN 25 1HD2 ASN 25 -8.826 -1.290 13.689 180 2HD2 ASN 25 2HD2 ASN 25 -9.234 -2.663 14.662 181 H LEU 26 H LEU 26 -3.818 0.225 12.776 182 HA LEU 26 HA LEU 26 -1.901 -1.398 14.185 183 1HB LEU 26 1HB LEU 26 -1.670 0.424 11.787 184 2HB LEU 26 2HB LEU 26 -0.355 -0.536 12.434 185 HG LEU 26 HG LEU 26 -2.954 -1.689 11.385 186 1HD1 LEU 26 1HD1 LEU 26 -1.940 -2.129 9.331 187 2HD1 LEU 26 2HD1 LEU 26 -1.429 -0.467 9.710 188 3HD1 LEU 26 3HD1 LEU 26 -0.303 -1.822 9.960 189 1HD2 LEU 26 1HD2 LEU 26 -0.364 -2.972 12.282 190 2HD2 LEU 26 2HD2 LEU 26 -1.992 -3.186 12.970 191 3HD2 LEU 26 3HD2 LEU 26 -1.622 -3.817 11.347 192 H SER 27 H SER 27 -3.172 1.825 14.340 193 HA SER 27 HA SER 27 -2.753 3.407 15.793 194 1HB SER 27 1HB SER 27 -1.786 1.506 17.265 195 2HB SER 27 2HB SER 27 -0.206 2.018 16.707 196 HG SER 27 HG SER 27 -1.250 2.980 18.795 197 H VAL 28 H VAL 28 -2.119 3.818 13.193 198 HA VAL 28 HA VAL 28 0.273 5.463 13.401 199 HB VAL 28 HB VAL 28 0.913 4.647 11.082 200 1HG1 VAL 28 1HG1 VAL 28 2.208 4.125 13.103 201 2HG1 VAL 28 2HG1 VAL 28 1.172 2.709 13.408 202 3HG1 VAL 28 3HG1 VAL 28 2.211 2.758 11.963 203 1HG2 VAL 28 1HG2 VAL 28 -0.628 2.155 11.831 204 2HG2 VAL 28 2HG2 VAL 28 -1.318 3.421 10.788 205 3HG2 VAL 28 3HG2 VAL 28 0.155 2.559 10.285 206 H GLU 29 H GLU 29 0.308 7.196 11.777 207 HA GLU 29 HA GLU 29 -2.385 7.663 10.754 208 1HB GLU 29 1HB GLU 29 -0.699 9.277 12.457 209 2HB GLU 29 2HB GLU 29 -0.926 10.129 10.942 210 1HG GLU 29 1HG GLU 29 -3.143 10.522 11.351 211 2HG GLU 29 2HG GLU 29 -3.423 8.892 11.931 212 H ILE 30 H ILE 30 -2.617 8.376 8.597 213 HA ILE 30 HA ILE 30 -0.178 8.896 7.104 214 HB ILE 30 HB ILE 30 -0.784 7.294 5.362 215 1HG1 ILE 30 1HG1 ILE 30 -3.031 6.613 7.254 216 2HG1 ILE 30 2HG1 ILE 30 -3.114 7.015 5.551 217 1HG2 ILE 30 1HG2 ILE 30 0.672 6.818 7.523 218 2HG2 ILE 30 2HG2 ILE 30 -0.615 5.629 7.835 219 3HG2 ILE 30 3HG2 ILE 30 0.325 5.548 6.326 220 1HD1 ILE 30 1HD1 ILE 30 -1.387 4.773 5.676 221 2HD1 ILE 30 2HD1 ILE 30 -2.716 4.413 6.805 222 3HD1 ILE 30 3HD1 ILE 30 -3.072 4.795 5.103 223 H LYS 31 H LYS 31 -0.643 9.900 4.975 224 HA LYS 31 HA LYS 31 -3.231 11.282 5.090 225 1HB LYS 31 1HB LYS 31 -0.468 12.174 4.335 226 2HB LYS 31 2HB LYS 31 -1.845 12.938 3.568 227 1HG LYS 31 1HG LYS 31 -1.485 12.670 6.591 228 2HG LYS 31 2HG LYS 31 -1.090 14.109 5.672 229 1HD LYS 31 1HD LYS 31 -3.238 14.786 5.932 230 2HD LYS 31 2HD LYS 31 -3.725 13.481 4.869 231 1HE LYS 31 1HE LYS 31 -3.807 11.939 6.887 232 2HE LYS 31 2HE LYS 31 -3.460 13.320 7.909 233 1HZ LYS 31 1HZ LYS 31 -5.459 14.353 6.786 234 2HZ LYS 31 2HZ LYS 31 -5.834 12.849 6.272 235 3HZ LYS 31 3HZ LYS 31 -5.747 13.166 7.871 236 H LYS 32 H LYS 32 -4.041 11.982 2.844 237 HA LYS 32 HA LYS 32 -3.863 9.626 1.146 238 1HB LYS 32 1HB LYS 32 -6.066 10.578 1.953 239 2HB LYS 32 2HB LYS 32 -5.767 11.972 0.934 240 1HG LYS 32 1HG LYS 32 -5.386 10.208 -0.984 241 2HG LYS 32 2HG LYS 32 -6.194 9.085 0.092 242 1HD LYS 32 1HD LYS 32 -7.773 11.473 0.095 243 2HD LYS 32 2HD LYS 32 -7.357 11.162 -1.579 244 1HE LYS 32 1HE LYS 32 -8.025 8.632 -0.865 245 2HE LYS 32 2HE LYS 32 -8.993 9.493 0.315 246 1HZ LYS 32 1HZ LYS 32 -9.315 9.341 -2.515 247 2HZ LYS 32 2HZ LYS 32 -10.423 9.651 -1.356 248 3HZ LYS 32 3HZ LYS 32 -9.480 10.856 -1.927 249 H GLY 33 H GLY 33 -2.425 12.698 1.499 250 1HA GLY 33 1HA GLY 33 -2.159 13.311 -1.306 251 2HA GLY 33 2HA GLY 33 -1.403 14.125 0.049 252 HA PRO 34 HA PRO 34 2.185 11.673 -0.371 253 1HB PRO 34 1HB PRO 34 2.719 10.428 2.002 254 2HB PRO 34 2HB PRO 34 3.042 12.126 1.717 255 1HG PRO 34 1HG PRO 34 0.867 10.892 3.293 256 2HG PRO 34 2HG PRO 34 1.456 12.542 3.340 257 1HD PRO 34 1HD PRO 34 -0.947 11.613 2.079 258 2HD PRO 34 2HD PRO 34 -0.298 13.239 2.027 259 H TRP 35 H TRP 35 -0.251 9.657 1.153 260 HA TRP 35 HA TRP 35 0.784 7.202 0.564 261 1HB TRP 35 1HB TRP 35 -1.140 7.364 1.915 262 2HB TRP 35 2HB TRP 35 -2.049 8.216 0.682 263 HD1 TRP 35 HD1 TRP 35 -2.670 6.601 -1.595 264 HE1 TRP 35 HE1 TRP 35 -3.385 4.067 -1.763 265 HE3 TRP 35 HE3 TRP 35 -0.853 5.243 2.956 266 HZ2 TRP 35 HZ2 TRP 35 -3.116 1.829 -0.013 267 HZ3 TRP 35 HZ3 TRP 35 -1.120 2.864 3.650 268 HH2 TRP 35 HH2 TRP 35 -2.206 1.182 2.248 269 H ARG 36 H ARG 36 -0.927 9.565 -1.541 270 HA ARG 36 HA ARG 36 -1.028 7.754 -3.709 271 1HB ARG 36 1HB ARG 36 -2.702 9.539 -3.528 272 2HB ARG 36 2HB ARG 36 -1.458 10.774 -3.501 273 1HG ARG 36 1HG ARG 36 -1.025 10.601 -5.791 274 2HG ARG 36 2HG ARG 36 -1.487 8.912 -5.865 275 1HD ARG 36 1HD ARG 36 -3.457 9.640 -6.755 276 2HD ARG 36 2HD ARG 36 -3.883 10.132 -5.128 277 HE ARG 36 HE ARG 36 -3.043 11.891 -7.328 278 1HH1 ARG 36 1HH1 ARG 36 -3.445 11.585 -3.846 279 2HH1 ARG 36 2HH1 ARG 36 -3.535 13.294 -3.577 280 1HH2 ARG 36 1HH2 ARG 36 -3.161 14.145 -6.975 281 2HH2 ARG 36 2HH2 ARG 36 -3.373 14.760 -5.369 282 H THR 37 H THR 37 0.924 10.691 -2.845 283 HA THR 37 HA THR 37 2.479 10.790 -5.144 284 HB THR 37 HB THR 37 2.856 11.641 -2.239 285 HG1 THR 37 HG1 THR 37 1.485 13.044 -3.323 286 1HG2 THR 37 1HG2 THR 37 5.016 12.269 -2.634 287 2HG2 THR 37 2HG2 THR 37 4.963 11.358 -4.163 288 3HG2 THR 37 3HG2 THR 37 4.524 13.083 -4.139 289 H PHE 38 H PHE 38 3.050 8.995 -2.057 290 HA PHE 38 HA PHE 38 5.536 8.007 -2.724 291 1HB PHE 38 1HB PHE 38 3.138 6.992 -1.106 292 2HB PHE 38 2HB PHE 38 4.632 6.077 -1.143 293 HD1 PHE 38 HD1 PHE 38 3.033 7.709 1.115 294 HD2 PHE 38 HD2 PHE 38 6.607 8.325 -1.088 295 HE1 PHE 38 HE1 PHE 38 3.941 9.119 2.983 296 HE2 PHE 38 HE2 PHE 38 7.516 9.734 0.780 297 HZ PHE 38 HZ PHE 38 6.172 10.115 2.793 298 H CYS 39 H CYS 39 2.243 6.781 -3.524 299 HA CYS 39 HA CYS 39 3.402 4.495 -4.851 300 1HB CYS 39 1HB CYS 39 1.239 4.469 -3.454 301 2HB CYS 39 2HB CYS 39 0.475 5.255 -4.821 302 HG CYS 39 HG CYS 39 0.585 3.465 -6.485 303 H ALA 40 H ALA 40 3.434 7.639 -5.565 304 HA ALA 40 HA ALA 40 2.272 7.499 -8.222 305 1HB ALA 40 1HB ALA 40 2.090 9.478 -6.579 306 2HB ALA 40 2HB ALA 40 3.793 9.808 -6.978 307 3HB ALA 40 3HB ALA 40 2.555 9.854 -8.256 308 H SER 41 H SER 41 5.468 8.557 -6.835 309 HA SER 41 HA SER 41 6.776 6.931 -8.800 310 1HB SER 41 1HB SER 41 6.280 9.642 -9.392 311 2HB SER 41 2HB SER 41 7.947 9.623 -8.851 312 HG SER 41 HG SER 41 7.723 7.505 -10.462 313 H GLU 42 H GLU 42 6.609 6.704 -5.973 314 HA GLU 42 HA GLU 42 9.286 7.580 -5.206 315 1HB GLU 42 1HB GLU 42 7.156 8.509 -3.965 316 2HB GLU 42 2HB GLU 42 7.111 6.934 -3.198 317 1HG GLU 42 1HG GLU 42 8.484 8.023 -1.682 318 2HG GLU 42 2HG GLU 42 9.717 7.437 -2.781 319 H TRP 43 H TRP 43 6.745 5.027 -4.786 320 HA TRP 43 HA TRP 43 8.605 3.183 -3.651 321 1HB TRP 43 1HB TRP 43 5.752 3.009 -4.593 322 2HB TRP 43 2HB TRP 43 6.645 1.581 -4.110 323 HD1 TRP 43 HD1 TRP 43 8.104 3.662 -1.703 324 HE1 TRP 43 HE1 TRP 43 6.826 3.906 0.593 325 HE3 TRP 43 HE3 TRP 43 3.619 1.992 -3.421 326 HZ2 TRP 43 HZ2 TRP 43 4.143 3.384 1.414 327 HZ3 TRP 43 HZ3 TRP 43 1.722 1.891 -1.807 328 HH2 TRP 43 HH2 TRP 43 1.930 2.553 0.536 329 HA PRO 44 HA PRO 44 8.349 1.634 -8.142 330 1HB PRO 44 1HB PRO 44 7.373 3.305 -10.072 331 2HB PRO 44 2HB PRO 44 6.404 2.070 -9.294 332 1HG PRO 44 1HG PRO 44 6.364 4.996 -8.874 333 2HG PRO 44 2HG PRO 44 5.149 3.808 -8.443 334 1HD PRO 44 1HD PRO 44 7.012 5.078 -6.670 335 2HD PRO 44 2HD PRO 44 5.877 3.807 -6.262 336 H THR 45 H THR 45 9.637 4.316 -6.876 337 HA THR 45 HA THR 45 11.587 4.519 -9.076 338 HB THR 45 HB THR 45 11.992 6.813 -7.825 339 HG1 THR 45 HG1 THR 45 10.659 6.325 -5.990 340 1HG2 THR 45 1HG2 THR 45 10.636 7.821 -9.395 341 2HG2 THR 45 2HG2 THR 45 10.384 6.165 -9.997 342 3HG2 THR 45 3HG2 THR 45 9.207 6.895 -8.878 343 H PHE 46 H PHE 46 11.339 2.547 -6.726 344 HA PHE 46 HA PHE 46 13.803 3.275 -5.336 345 1HB PHE 46 1HB PHE 46 11.473 1.331 -4.942 346 2HB PHE 46 2HB PHE 46 12.960 1.087 -4.047 347 HD1 PHE 46 HD1 PHE 46 12.526 4.535 -4.568 348 HD2 PHE 46 HD2 PHE 46 11.122 1.322 -2.178 349 HE1 PHE 46 HE1 PHE 46 11.747 6.169 -2.829 350 HE2 PHE 46 HE2 PHE 46 10.343 2.956 -0.439 351 HZ PHE 46 HZ PHE 46 10.665 5.360 -0.785 352 H ASP 47 H ASP 47 12.546 1.275 -7.885 353 HA ASP 47 HA ASP 47 13.590 -0.058 -9.264 354 1HB ASP 47 1HB ASP 47 15.785 1.161 -7.954 355 2HB ASP 47 2HB ASP 47 16.116 -0.556 -7.847 356 H VAL 48 H VAL 48 12.141 -1.785 -8.592 357 HA VAL 48 HA VAL 48 13.458 -3.973 -7.319 358 HB VAL 48 HB VAL 48 11.634 -4.192 -5.571 359 1HG1 VAL 48 1HG1 VAL 48 12.963 -3.188 -3.959 360 2HG1 VAL 48 2HG1 VAL 48 14.106 -3.356 -5.313 361 3HG1 VAL 48 3HG1 VAL 48 13.338 -1.783 -4.987 362 1HG2 VAL 48 1HG2 VAL 48 9.951 -2.702 -5.878 363 2HG2 VAL 48 2HG2 VAL 48 10.990 -1.653 -4.885 364 3HG2 VAL 48 3HG2 VAL 48 11.007 -1.501 -6.658 365 H GLY 49 H GLY 49 10.381 -2.451 -8.438 366 1HA GLY 49 1HA GLY 49 9.634 -3.673 -10.542 367 2HA GLY 49 2HA GLY 49 9.555 -5.078 -9.498 368 H TRP 50 H TRP 50 8.737 -1.649 -8.685 369 HA TRP 50 HA TRP 50 6.049 -2.598 -7.997 370 1HB TRP 50 1HB TRP 50 7.230 -1.685 -6.126 371 2HB TRP 50 2HB TRP 50 7.680 -0.251 -7.027 372 HD1 TRP 50 HD1 TRP 50 5.536 1.475 -7.638 373 HE1 TRP 50 HE1 TRP 50 3.327 2.071 -6.323 374 HE3 TRP 50 HE3 TRP 50 5.583 -2.637 -4.648 375 HZ2 TRP 50 HZ2 TRP 50 1.880 0.784 -4.227 376 HZ3 TRP 50 HZ3 TRP 50 3.736 -2.892 -2.994 377 HH2 TRP 50 HH2 TRP 50 1.927 -1.265 -2.756 378 HA PRO 51 HA PRO 51 4.793 -0.308 -11.507 379 1HB PRO 51 1HB PRO 51 2.108 -0.782 -11.325 380 2HB PRO 51 2HB PRO 51 3.228 -1.896 -12.083 381 1HG PRO 51 1HG PRO 51 1.910 -2.101 -9.445 382 2HG PRO 51 2HG PRO 51 2.676 -3.362 -10.390 383 1HD PRO 51 1HD PRO 51 3.761 -2.048 -8.084 384 2HD PRO 51 2HD PRO 51 4.572 -3.226 -9.097 385 HA PRO 52 HA PRO 52 3.514 3.507 -10.166 386 1HB PRO 52 1HB PRO 52 2.279 4.589 -12.350 387 2HB PRO 52 2HB PRO 52 4.021 4.531 -12.165 388 1HG PRO 52 1HG PRO 52 2.284 2.873 -13.889 389 2HG PRO 52 2HG PRO 52 4.015 3.128 -13.995 390 1HD PRO 52 1HD PRO 52 2.682 0.807 -12.964 391 2HD PRO 52 2HD PRO 52 4.408 1.111 -12.964 392 H GLU 53 H GLU 53 1.013 1.595 -11.670 393 HA GLU 53 HA GLU 53 -1.034 3.136 -10.466 394 1HB GLU 53 1HB GLU 53 -1.121 0.368 -11.747 395 2HB GLU 53 2HB GLU 53 -2.529 1.321 -11.321 396 1HG GLU 53 1HG GLU 53 -2.296 1.926 -13.560 397 2HG GLU 53 2HG GLU 53 -1.353 3.195 -12.805 398 H GLY 54 H GLY 54 1.145 0.694 -9.374 399 1HA GLY 54 1HA GLY 54 1.307 0.159 -7.098 400 2HA GLY 54 2HA GLY 54 -0.417 0.409 -6.903 401 H THR 55 H THR 55 0.467 -1.885 -5.816 402 HA THR 55 HA THR 55 -0.862 -3.874 -7.380 403 HB THR 55 HB THR 55 1.541 -3.713 -8.342 404 HG1 THR 55 HG1 THR 55 0.778 -6.163 -6.926 405 1HG2 THR 55 1HG2 THR 55 3.159 -5.151 -6.955 406 2HG2 THR 55 2HG2 THR 55 2.898 -3.506 -6.327 407 3HG2 THR 55 3HG2 THR 55 2.074 -4.889 -5.568 408 H PHE 56 H PHE 56 -1.298 -5.817 -6.172 409 HA PHE 56 HA PHE 56 -0.979 -5.324 -3.298 410 1HB PHE 56 1HB PHE 56 -3.045 -6.683 -5.102 411 2HB PHE 56 2HB PHE 56 -2.994 -7.079 -3.395 412 HD1 PHE 56 HD1 PHE 56 -2.887 -4.861 -1.837 413 HD2 PHE 56 HD2 PHE 56 -4.565 -5.078 -5.729 414 HE1 PHE 56 HE1 PHE 56 -4.320 -2.865 -1.330 415 HE2 PHE 56 HE2 PHE 56 -5.999 -3.081 -5.222 416 HZ PHE 56 HZ PHE 56 -5.859 -1.998 -3.029 417 H ASP 57 H ASP 57 1.199 -6.477 -4.716 418 HA ASP 57 HA ASP 57 0.905 -9.305 -4.130 419 1HB ASP 57 1HB ASP 57 1.766 -8.580 -6.390 420 2HB ASP 57 2HB ASP 57 3.129 -7.813 -5.600 421 H LEU 58 H LEU 58 1.574 -9.798 -2.031 422 HA LEU 58 HA LEU 58 2.919 -8.178 -0.328 423 1HB LEU 58 1HB LEU 58 1.821 -10.642 -0.212 424 2HB LEU 58 2HB LEU 58 3.518 -11.069 -0.115 425 HG LEU 58 HG LEU 58 3.560 -9.193 1.755 426 1HD1 LEU 58 1HD1 LEU 58 1.166 -8.569 1.300 427 2HD1 LEU 58 2HD1 LEU 58 0.697 -10.143 1.987 428 3HD1 LEU 58 3HD1 LEU 58 1.544 -8.948 2.997 429 1HD2 LEU 58 1HD2 LEU 58 4.217 -11.440 2.201 430 2HD2 LEU 58 2HD2 LEU 58 3.029 -10.975 3.442 431 3HD2 LEU 58 3HD2 LEU 58 2.539 -12.022 2.089 432 H THR 59 H THR 59 4.301 -10.488 -2.725 433 HA THR 59 HA THR 59 6.959 -10.276 -1.952 434 HB THR 59 HB THR 59 5.596 -10.754 -4.651 435 HG1 THR 59 HG1 THR 59 5.280 -12.236 -2.772 436 1HG2 THR 59 1HG2 THR 59 7.635 -11.372 -5.582 437 2HG2 THR 59 2HG2 THR 59 8.255 -10.137 -4.460 438 3HG2 THR 59 3HG2 THR 59 8.314 -11.858 -4.010 439 H VAL 60 H VAL 60 5.097 -8.261 -4.314 440 HA VAL 60 HA VAL 60 7.317 -6.607 -4.874 441 HB VAL 60 HB VAL 60 4.350 -6.121 -5.209 442 1HG1 VAL 60 1HG1 VAL 60 6.239 -4.919 -7.125 443 2HG1 VAL 60 2HG1 VAL 60 4.809 -4.221 -6.327 444 3HG1 VAL 60 3HG1 VAL 60 6.368 -4.279 -5.469 445 1HG2 VAL 60 1HG2 VAL 60 4.646 -6.958 -7.491 446 2HG2 VAL 60 2HG2 VAL 60 6.360 -7.302 -7.156 447 3HG2 VAL 60 3HG2 VAL 60 5.087 -8.203 -6.297 448 H ILE 61 H ILE 61 4.775 -6.660 -2.385 449 HA ILE 61 HA ILE 61 5.172 -3.990 -1.539 450 HB ILE 61 HB ILE 61 3.861 -6.422 -0.355 451 1HG1 ILE 61 1HG1 ILE 61 2.730 -3.774 -1.306 452 2HG1 ILE 61 2HG1 ILE 61 2.792 -5.235 -2.272 453 1HG2 ILE 61 1HG2 ILE 61 4.068 -3.677 0.914 454 2HG2 ILE 61 2HG2 ILE 61 3.026 -5.009 1.471 455 3HG2 ILE 61 3HG2 ILE 61 4.797 -5.184 1.521 456 1HD1 ILE 61 1HD1 ILE 61 1.061 -4.584 0.086 457 2HD1 ILE 61 2HD1 ILE 61 0.679 -5.517 -1.382 458 3HD1 ILE 61 3HD1 ILE 61 1.609 -6.271 -0.064 459 H PHE 62 H PHE 62 6.324 -7.201 -0.299 460 HA PHE 62 HA PHE 62 7.797 -6.254 1.812 461 1HB PHE 62 1HB PHE 62 7.687 -8.608 -0.037 462 2HB PHE 62 2HB PHE 62 9.256 -8.400 0.717 463 HD1 PHE 62 HD1 PHE 62 5.793 -7.888 2.023 464 HD2 PHE 62 HD2 PHE 62 9.470 -9.976 2.387 465 HE1 PHE 62 HE1 PHE 62 4.946 -9.019 4.098 466 HE2 PHE 62 HE2 PHE 62 8.622 -11.106 4.462 467 HZ PHE 62 HZ PHE 62 6.371 -10.614 5.292 468 H GLU 63 H GLU 63 8.469 -6.102 -1.663 469 HA GLU 63 HA GLU 63 11.225 -5.793 -1.469 470 1HB GLU 63 1HB GLU 63 9.161 -5.008 -3.550 471 2HB GLU 63 2HB GLU 63 10.851 -4.597 -3.768 472 1HG GLU 63 1HG GLU 63 9.924 -7.439 -3.163 473 2HG GLU 63 2HG GLU 63 10.076 -6.828 -4.799 474 H VAL 64 H VAL 64 8.543 -3.355 -1.740 475 HA VAL 64 HA VAL 64 10.270 -1.140 -1.519 476 HB VAL 64 HB VAL 64 7.316 -1.616 -1.285 477 1HG1 VAL 64 1HG1 VAL 64 7.578 1.141 -1.367 478 2HG1 VAL 64 2HG1 VAL 64 7.104 0.174 0.050 479 3HG1 VAL 64 3HG1 VAL 64 8.805 0.650 -0.174 480 1HG2 VAL 64 1HG2 VAL 64 9.014 0.019 -3.201 481 2HG2 VAL 64 2HG2 VAL 64 8.322 -1.590 -3.521 482 3HG2 VAL 64 3HG2 VAL 64 7.248 -0.189 -3.288 483 H LYS 65 H LYS 65 8.443 -3.153 0.827 484 HA LYS 65 HA LYS 65 8.770 -1.510 3.041 485 1HB LYS 65 1HB LYS 65 7.252 -3.504 2.803 486 2HB LYS 65 2HB LYS 65 8.650 -4.538 3.011 487 1HG LYS 65 1HG LYS 65 9.080 -3.650 5.240 488 2HG LYS 65 2HG LYS 65 7.898 -2.374 5.025 489 1HD LYS 65 1HD LYS 65 6.458 -4.753 4.509 490 2HD LYS 65 2HD LYS 65 7.492 -5.160 5.864 491 1HE LYS 65 1HE LYS 65 6.553 -3.490 7.261 492 2HE LYS 65 2HE LYS 65 5.966 -2.543 5.909 493 1HZ LYS 65 1HZ LYS 65 4.328 -4.197 5.479 494 2HZ LYS 65 2HZ LYS 65 4.927 -5.196 6.625 495 3HZ LYS 65 3HZ LYS 65 4.228 -3.784 7.056 496 H ALA 66 H ALA 66 10.956 -3.868 1.465 497 HA ALA 66 HA ALA 66 12.839 -4.050 3.502 498 1HB ALA 66 1HB ALA 66 12.460 -5.107 0.981 499 2HB ALA 66 2HB ALA 66 13.884 -4.066 0.740 500 3HB ALA 66 3HB ALA 66 13.914 -5.342 1.981 501 H ILE 67 H ILE 67 12.709 -1.841 0.618 502 HA ILE 67 HA ILE 67 14.989 -0.391 1.409 503 HB ILE 67 HB ILE 67 12.722 0.233 -0.482 504 1HG1 ILE 67 1HG1 ILE 67 15.164 -0.168 -1.834 505 2HG1 ILE 67 2HG1 ILE 67 15.074 -1.448 -0.640 506 1HG2 ILE 67 1HG2 ILE 67 14.041 2.037 -1.368 507 2HG2 ILE 67 2HG2 ILE 67 13.815 2.296 0.379 508 3HG2 ILE 67 3HG2 ILE 67 15.370 1.684 -0.236 509 1HD1 ILE 67 1HD1 ILE 67 12.485 -1.456 -1.572 510 2HD1 ILE 67 2HD1 ILE 67 13.376 -0.970 -3.034 511 3HD1 ILE 67 3HD1 ILE 67 13.780 -2.496 -2.211 512 H VAL 68 H VAL 68 11.450 0.030 1.932 513 HA VAL 68 HA VAL 68 11.590 2.555 3.089 514 HB VAL 68 HB VAL 68 9.683 0.239 3.258 515 1HG1 VAL 68 1HG1 VAL 68 8.826 1.013 5.171 516 2HG1 VAL 68 2HG1 VAL 68 9.887 2.442 5.143 517 3HG1 VAL 68 3HG1 VAL 68 8.332 2.472 4.278 518 1HG2 VAL 68 1HG2 VAL 68 9.112 3.012 2.223 519 2HG2 VAL 68 2HG2 VAL 68 9.980 1.825 1.220 520 3HG2 VAL 68 3HG2 VAL 68 8.337 1.466 1.801 521 H PHE 69 H PHE 69 11.666 -0.748 4.590 522 HA PHE 69 HA PHE 69 12.347 0.478 7.128 523 1HB PHE 69 1HB PHE 69 11.768 -2.346 6.071 524 2HB PHE 69 2HB PHE 69 12.280 -2.085 7.726 525 HD1 PHE 69 HD1 PHE 69 9.684 -0.891 5.323 526 HD2 PHE 69 HD2 PHE 69 10.660 -1.813 9.349 527 HE1 PHE 69 HE1 PHE 69 7.301 -0.476 5.996 528 HE2 PHE 69 HE2 PHE 69 8.278 -1.398 10.022 529 HZ PHE 69 HZ PHE 69 6.627 -0.735 8.337 530 H GLN 70 H GLN 70 14.329 0.951 5.173 531 HA GLN 70 HA GLN 70 16.326 -1.080 5.637 532 1HB GLN 70 1HB GLN 70 17.552 -0.089 3.854 533 2HB GLN 70 2HB GLN 70 15.876 0.000 3.349 534 1HG GLN 70 1HG GLN 70 15.732 2.355 4.063 535 2HG GLN 70 2HG GLN 70 17.346 2.286 4.743 536 1HE2 GLN 70 1HE2 GLN 70 15.446 2.824 1.988 537 2HE2 GLN 70 2HE2 GLN 70 16.695 3.030 0.806 538 H ASP 71 H ASP 71 18.705 0.366 5.648 539 HA ASP 71 HA ASP 71 18.434 1.745 8.191 540 1HB ASP 71 1HB ASP 71 19.951 -0.229 8.119 541 2HB ASP 71 2HB ASP 71 20.865 0.506 6.817 542 H GLY 72 H GLY 72 19.771 3.756 8.489 543 1HA GLY 72 1HA GLY 72 21.124 5.474 7.655 544 2HA GLY 72 2HA GLY 72 20.768 4.978 6.012 545 HA PRO 73 HA PRO 73 17.986 8.442 7.146 546 1HB PRO 73 1HB PRO 73 18.955 10.354 5.451 547 2HB PRO 73 2HB PRO 73 19.430 10.236 7.134 548 1HG PRO 73 1HG PRO 73 20.956 9.474 4.719 549 2HG PRO 73 2HG PRO 73 21.545 9.764 6.344 550 1HD PRO 73 1HD PRO 73 21.159 7.214 5.088 551 2HD PRO 73 2HD PRO 73 21.637 7.503 6.749 552 H GLY 74 H GLY 74 18.694 6.501 4.594 553 1HA GLY 74 1HA GLY 74 16.897 7.660 2.677 554 2HA GLY 74 2HA GLY 74 17.683 6.095 2.605 555 H SER 75 H SER 75 16.694 5.366 5.396 556 HA SER 75 HA SER 75 14.600 3.845 4.745 557 1HB SER 75 1HB SER 75 13.995 3.922 7.217 558 2HB SER 75 2HB SER 75 15.671 3.548 6.870 559 HG SER 75 HG SER 75 15.313 5.183 8.588 560 H HIS 76 H HIS 76 12.242 3.981 5.101 561 HA HIS 76 HA HIS 76 11.309 6.757 4.966 562 1HB HIS 76 1HB HIS 76 9.987 4.345 3.702 563 2HB HIS 76 2HB HIS 76 9.534 6.027 3.508 564 HD1 HIS 76 HD1 HIS 76 12.004 7.460 2.680 565 HD2 HIS 76 HD2 HIS 76 11.202 3.545 1.405 566 HE1 HIS 76 HE1 HIS 76 13.374 7.105 0.558 567 HA PRO 77 HA PRO 77 9.507 5.100 8.704 568 1HB PRO 77 1HB PRO 77 9.674 7.396 10.177 569 2HB PRO 77 2HB PRO 77 10.928 6.172 10.166 570 1HG PRO 77 1HG PRO 77 10.906 8.815 8.842 571 2HG PRO 77 2HG PRO 77 12.272 7.777 9.199 572 1HD PRO 77 1HD PRO 77 11.019 8.148 6.646 573 2HD PRO 77 2HD PRO 77 12.309 7.025 7.027 574 H ASP 78 H ASP 78 8.725 7.727 6.674 575 HA ASP 78 HA ASP 78 6.220 8.165 7.950 576 1HB ASP 78 1HB ASP 78 7.652 9.849 6.574 577 2HB ASP 78 2HB ASP 78 7.036 9.037 5.148 578 H GLN 79 H GLN 79 7.601 6.335 5.203 579 HA GLN 79 HA GLN 79 4.985 5.657 4.225 580 1HB GLN 79 1HB GLN 79 7.806 4.964 3.316 581 2HB GLN 79 2HB GLN 79 6.385 4.271 2.561 582 1HG GLN 79 1HG GLN 79 6.280 6.119 1.248 583 2HG GLN 79 2HG GLN 79 5.805 7.027 2.670 584 1HE2 GLN 79 1HE2 GLN 79 8.501 5.972 0.682 585 2HE2 GLN 79 2HE2 GLN 79 9.634 7.200 1.141 586 H GLN 80 H GLN 80 7.285 4.510 6.538 587 HA GLN 80 HA GLN 80 7.139 1.821 6.341 588 1HB GLN 80 1HB GLN 80 7.587 3.783 8.518 589 2HB GLN 80 2HB GLN 80 7.036 2.219 9.084 590 1HG GLN 80 1HG GLN 80 8.894 1.072 8.098 591 2HG GLN 80 2HG GLN 80 9.291 2.424 7.056 592 1HE2 GLN 80 1HE2 GLN 80 11.371 2.631 7.728 593 2HE2 GLN 80 2HE2 GLN 80 11.844 3.199 9.294 594 HA PRO 81 HA PRO 81 3.011 1.992 8.685 595 1HB PRO 81 1HB PRO 81 1.690 4.373 8.919 596 2HB PRO 81 2HB PRO 81 2.722 3.721 10.177 597 1HG PRO 81 1HG PRO 81 3.266 5.936 8.296 598 2HG PRO 81 2HG PRO 81 4.074 5.552 9.803 599 1HD PRO 81 1HD PRO 81 5.049 5.043 7.154 600 2HD PRO 81 2HD PRO 81 5.802 4.556 8.660 601 H TYR 82 H TYR 82 3.515 3.898 5.878 602 HA TYR 82 HA TYR 82 0.864 3.575 4.885 603 1HB TYR 82 1HB TYR 82 3.644 4.326 3.818 604 2HB TYR 82 2HB TYR 82 2.272 4.255 2.731 605 HD1 TYR 82 HD1 TYR 82 2.729 5.631 6.200 606 HD2 TYR 82 HD2 TYR 82 1.584 6.389 2.148 607 HE1 TYR 82 HE1 TYR 82 2.113 8.020 6.814 608 HE2 TYR 82 HE2 TYR 82 0.971 8.775 2.775 609 HH TYR 82 HH TYR 82 1.698 10.044 5.963 610 H ILE 83 H ILE 83 4.071 2.030 4.166 611 HA ILE 83 HA ILE 83 3.005 0.270 2.246 612 HB ILE 83 HB ILE 83 5.400 1.041 2.575 613 1HG1 ILE 83 1HG1 ILE 83 6.308 -1.181 1.779 614 2HG1 ILE 83 2HG1 ILE 83 4.726 -1.870 2.084 615 1HG2 ILE 83 1HG2 ILE 83 6.788 -0.533 3.975 616 2HG2 ILE 83 2HG2 ILE 83 5.773 0.616 4.880 617 3HG2 ILE 83 3HG2 ILE 83 5.269 -1.084 4.722 618 1HD1 ILE 83 1HD1 ILE 83 5.223 -1.006 -0.317 619 2HD1 ILE 83 2HD1 ILE 83 3.675 -0.529 0.421 620 3HD1 ILE 83 3HD1 ILE 83 5.031 0.623 0.374 621 H THR 84 H THR 84 3.360 0.173 5.796 622 HA THR 84 HA THR 84 2.993 -2.544 6.200 623 HB THR 84 HB THR 84 2.193 -0.071 7.817 624 HG1 THR 84 HG1 THR 84 4.372 -0.210 8.172 625 1HG2 THR 84 1HG2 THR 84 1.293 -2.646 8.355 626 2HG2 THR 84 2HG2 THR 84 2.859 -2.621 9.202 627 3HG2 THR 84 3HG2 THR 84 1.612 -1.414 9.599 628 H VAL 85 H VAL 85 0.494 0.064 5.938 629 HA VAL 85 HA VAL 85 -1.683 -1.613 6.318 630 HB VAL 85 HB VAL 85 -1.405 0.933 4.710 631 1HG1 VAL 85 1HG1 VAL 85 -3.928 1.074 5.443 632 2HG1 VAL 85 2HG1 VAL 85 -3.460 0.151 3.995 633 3HG1 VAL 85 3HG1 VAL 85 -3.793 -0.699 5.523 634 1HG2 VAL 85 1HG2 VAL 85 -1.442 2.093 6.631 635 2HG2 VAL 85 2HG2 VAL 85 -2.712 1.062 7.334 636 3HG2 VAL 85 3HG2 VAL 85 -1.007 0.557 7.419 637 H TRP 86 H TRP 86 0.139 -0.706 3.337 638 HA TRP 86 HA TRP 86 -1.517 -1.872 1.477 639 1HB TRP 86 1HB TRP 86 1.382 -1.222 1.631 640 2HB TRP 86 2HB TRP 86 0.866 -2.301 0.350 641 HD1 TRP 86 HD1 TRP 86 0.605 1.366 1.428 642 HE1 TRP 86 HE1 TRP 86 -0.406 2.873 -0.488 643 HE3 TRP 86 HE3 TRP 86 -0.739 -2.484 -1.610 644 HZ2 TRP 86 HZ2 TRP 86 -1.626 2.298 -3.003 645 HZ3 TRP 86 HZ3 TRP 86 -1.834 -1.924 -3.778 646 HH2 TRP 86 HH2 TRP 86 -2.282 0.371 -4.491 647 H GLN 87 H GLN 87 1.103 -3.295 3.527 648 HA GLN 87 HA GLN 87 0.983 -5.820 2.395 649 1HB GLN 87 1HB GLN 87 2.873 -5.118 3.766 650 2HB GLN 87 2HB GLN 87 1.842 -4.889 5.165 651 1HG GLN 87 1HG GLN 87 1.312 -7.541 4.396 652 2HG GLN 87 2HG GLN 87 3.032 -7.371 4.106 653 1HE2 GLN 87 1HE2 GLN 87 4.019 -8.304 5.737 654 2HE2 GLN 87 2HE2 GLN 87 3.748 -8.013 7.423 655 H ASP 88 H ASP 88 -0.684 -4.388 5.273 656 HA ASP 88 HA ASP 88 -1.907 -6.657 6.152 657 1HB ASP 88 1HB ASP 88 -1.894 -4.091 6.960 658 2HB ASP 88 2HB ASP 88 -3.437 -4.054 6.131 659 H LEU 89 H LEU 89 -2.823 -4.300 3.577 660 HA LEU 89 HA LEU 89 -5.402 -5.161 3.092 661 1HB LEU 89 1HB LEU 89 -3.280 -3.824 1.456 662 2HB LEU 89 2HB LEU 89 -4.772 -4.334 0.691 663 HG LEU 89 HG LEU 89 -4.943 -2.683 3.185 664 1HD1 LEU 89 1HD1 LEU 89 -3.924 -0.897 2.361 665 2HD1 LEU 89 2HD1 LEU 89 -3.437 -1.840 0.932 666 3HD1 LEU 89 3HD1 LEU 89 -4.970 -0.935 0.921 667 1HD2 LEU 89 1HD2 LEU 89 -6.683 -1.988 0.968 668 2HD2 LEU 89 2HD2 LEU 89 -6.778 -3.722 1.359 669 3HD2 LEU 89 3HD2 LEU 89 -7.086 -2.507 2.622 670 H VAL 90 H VAL 90 -2.307 -6.235 1.522 671 HA VAL 90 HA VAL 90 -3.391 -8.122 -0.145 672 HB VAL 90 HB VAL 90 -0.760 -8.079 1.343 673 1HG1 VAL 90 1HG1 VAL 90 -1.690 -10.326 0.248 674 2HG1 VAL 90 2HG1 VAL 90 -1.080 -9.556 -1.236 675 3HG1 VAL 90 3HG1 VAL 90 0.022 -9.856 0.129 676 1HG2 VAL 90 1HG2 VAL 90 -0.729 -6.182 0.018 677 2HG2 VAL 90 2HG2 VAL 90 -0.036 -7.394 -1.087 678 3HG2 VAL 90 3HG2 VAL 90 -1.743 -6.916 -1.248 679 H GLN 91 H GLN 91 -1.995 -8.724 3.164 680 HA GLN 91 HA GLN 91 -2.604 -11.312 3.394 681 1HB GLN 91 1HB GLN 91 -2.569 -9.050 5.397 682 2HB GLN 91 2HB GLN 91 -3.051 -10.648 5.932 683 1HG GLN 91 1HG GLN 91 -0.936 -11.619 5.271 684 2HG GLN 91 2HG GLN 91 -0.482 -10.193 4.359 685 1HE2 GLN 91 1HE2 GLN 91 1.256 -9.453 5.349 686 2HE2 GLN 91 2HE2 GLN 91 1.389 -9.029 7.023 687 H ASN 92 H ASN 92 -4.786 -8.710 4.719 688 HA ASN 92 HA ASN 92 -6.943 -10.610 4.607 689 1HB ASN 92 1HB ASN 92 -6.458 -7.925 5.900 690 2HB ASN 92 2HB ASN 92 -8.123 -8.347 5.554 691 1HD2 ASN 92 1HD2 ASN 92 -5.270 -9.072 7.387 692 2HD2 ASN 92 2HD2 ASN 92 -5.965 -10.184 8.520 693 H SER 93 H SER 93 -6.599 -10.430 2.068 694 HA SER 93 HA SER 93 -7.054 -8.188 0.646 695 1HB SER 93 1HB SER 93 -7.418 -9.594 -1.198 696 2HB SER 93 2HB SER 93 -6.531 -10.636 -0.103 697 HG SER 93 HG SER 93 -8.591 -11.537 0.606 698 HA PRO 94 HA PRO 94 -11.221 -7.320 1.766 699 1HB PRO 94 1HB PRO 94 -11.412 -4.886 0.539 700 2HB PRO 94 2HB PRO 94 -10.762 -5.097 2.152 701 1HG PRO 94 1HG PRO 94 -9.319 -4.567 -0.373 702 2HG PRO 94 2HG PRO 94 -8.760 -4.361 1.274 703 1HD PRO 94 1HD PRO 94 -8.073 -6.492 -0.518 704 2HD PRO 94 2HD PRO 94 -7.607 -6.347 1.165 705 HA PRO 95 HA PRO 95 -13.602 -8.400 -1.574 706 1HB PRO 95 1HB PRO 95 -16.033 -7.264 -1.060 707 2HB PRO 95 2HB PRO 95 -15.488 -8.745 -0.299 708 1HG PRO 95 1HG PRO 95 -15.667 -6.028 0.851 709 2HG PRO 95 2HG PRO 95 -15.540 -7.566 1.682 710 1HD PRO 95 1HD PRO 95 -13.444 -5.648 1.291 711 2HD PRO 95 2HD PRO 95 -13.290 -7.235 2.019 712 H TRP 96 H TRP 96 -13.205 -5.058 -0.925 713 HA TRP 96 HA TRP 96 -14.304 -4.263 -3.457 714 1HB TRP 96 1HB TRP 96 -13.389 -2.033 -2.792 715 2HB TRP 96 2HB TRP 96 -14.579 -2.723 -1.707 716 HD1 TRP 96 HD1 TRP 96 -13.698 -3.441 0.769 717 HE1 TRP 96 HE1 TRP 96 -11.572 -2.865 2.222 718 HE3 TRP 96 HE3 TRP 96 -10.929 -1.584 -3.070 719 HZ2 TRP 96 HZ2 TRP 96 -9.028 -1.723 1.617 720 HZ3 TRP 96 HZ3 TRP 96 -8.634 -0.759 -2.553 721 HH2 TRP 96 HH2 TRP 96 -7.676 -0.807 -0.305 722 H ILE 97 H ILE 97 -11.467 -5.805 -2.372 723 HA ILE 97 HA ILE 97 -9.855 -4.609 -4.503 724 HB ILE 97 HB ILE 97 -9.285 -5.849 -1.880 725 1HG1 ILE 97 1HG1 ILE 97 -8.063 -3.636 -3.548 726 2HG1 ILE 97 2HG1 ILE 97 -9.082 -3.464 -2.132 727 1HG2 ILE 97 1HG2 ILE 97 -7.019 -6.518 -2.511 728 2HG2 ILE 97 2HG2 ILE 97 -8.244 -7.478 -3.375 729 3HG2 ILE 97 3HG2 ILE 97 -7.383 -6.168 -4.218 730 1HD1 ILE 97 1HD1 ILE 97 -7.331 -4.661 -0.766 731 2HD1 ILE 97 2HD1 ILE 97 -6.288 -4.691 -2.208 732 3HD1 ILE 97 3HD1 ILE 97 -6.749 -3.135 -1.476 733 H LYS 98 H LYS 98 -10.558 -7.865 -3.039 734 HA LYS 98 HA LYS 98 -10.841 -8.897 -5.742 735 1HB LYS 98 1HB LYS 98 -8.539 -9.414 -4.003 736 2HB LYS 98 2HB LYS 98 -9.346 -10.883 -4.514 737 1HG LYS 98 1HG LYS 98 -9.142 -9.014 -6.754 738 2HG LYS 98 2HG LYS 98 -7.563 -9.277 -6.042 739 1HD LYS 98 1HD LYS 98 -7.806 -11.719 -6.276 740 2HD LYS 98 2HD LYS 98 -9.458 -11.538 -6.833 741 1HE LYS 98 1HE LYS 98 -8.727 -11.296 -8.965 742 2HE LYS 98 2HE LYS 98 -7.828 -9.863 -8.505 743 1HZ LYS 98 1HZ LYS 98 -6.369 -11.510 -9.386 744 2HZ LYS 98 2HZ LYS 98 -6.028 -11.321 -7.800 745 3HZ LYS 98 3HZ LYS 98 -6.862 -12.631 -8.305 746 H SER 99 H SER 99 -12.779 -9.887 -5.784 747 HA SER 99 HA SER 99 -13.729 -10.958 -3.254 748 1HB SER 99 1HB SER 99 -15.204 -9.289 -4.269 749 2HB SER 99 2HB SER 99 -15.204 -10.149 -5.796 750 HG SER 99 HG SER 99 -16.197 -11.990 -4.600 751 H GLY 100 H GLY 100 -14.206 -13.161 -3.036 752 1HA GLY 100 1HA GLY 100 -13.053 -14.966 -4.881 753 2HA GLY 100 2HA GLY 100 -14.054 -15.358 -3.497 754 HA PRO 101 HA PRO 101 -16.399 -15.881 -7.481 755 1HB PRO 101 1HB PRO 101 -16.059 -18.541 -8.008 756 2HB PRO 101 2HB PRO 101 -15.125 -17.281 -8.791 757 1HG PRO 101 1HG PRO 101 -14.296 -19.146 -6.652 758 2HG PRO 101 2HG PRO 101 -13.292 -18.192 -7.727 759 1HD PRO 101 1HD PRO 101 -13.865 -17.639 -4.971 760 2HD PRO 101 2HD PRO 101 -12.958 -16.626 -6.077 761 H SER 102 H SER 102 -18.537 -15.925 -7.212 762 HA SER 102 HA SER 102 -19.378 -17.549 -4.964 763 1HB SER 102 1HB SER 102 -20.542 -15.161 -6.411 764 2HB SER 102 2HB SER 102 -21.601 -16.193 -5.471 765 HG SER 102 HG SER 102 -19.391 -14.587 -4.579 766 H SER 103 H SER 103 -20.066 -19.593 -5.482 767 HA SER 103 HA SER 103 -21.068 -21.235 -6.486 768 1HB SER 103 1HB SER 103 -22.718 -18.930 -7.526 769 2HB SER 103 2HB SER 103 -22.989 -20.526 -8.196 770 HG SER 103 HG SER 103 -23.415 -19.583 -5.529 771 H GLY 104 H GLY 104 -19.782 -22.406 -7.862 772 1HA GLY 104 1HA GLY 104 -19.076 -23.120 -9.921 773 2HA GLY 104 2HA GLY 104 -19.640 -21.632 -10.654 Start of MODEL 3 1 1H GLY 0 1H GLY 0 -12.304 -1.666 -26.330 2 1HA GLY 0 1HA GLY 0 -14.550 -1.164 -26.353 3 2HA GLY 0 2HA GLY 0 -14.518 -2.526 -25.251 4 H SER 1 H SER 1 -16.252 -1.898 -23.919 5 HA SER 1 HA SER 1 -16.146 0.743 -22.784 6 1HB SER 1 1HB SER 1 -18.315 -0.148 -23.553 7 2HB SER 1 2HB SER 1 -18.161 -1.526 -22.482 8 HG SER 1 HG SER 1 -18.650 -0.304 -20.737 9 H SER 2 H SER 2 -14.131 0.403 -21.541 10 HA SER 2 HA SER 2 -12.922 -0.249 -19.843 11 1HB SER 2 1HB SER 2 -15.351 0.846 -18.888 12 2HB SER 2 2HB SER 2 -15.055 -0.541 -17.859 13 HG SER 2 HG SER 2 -14.041 1.684 -17.327 14 H GLY 3 H GLY 3 -12.470 -2.397 -20.798 15 1HA GLY 3 1HA GLY 3 -14.081 -4.632 -19.861 16 2HA GLY 3 2HA GLY 3 -12.734 -4.676 -20.981 17 H SER 4 H SER 4 -13.657 -4.432 -17.524 18 HA SER 4 HA SER 4 -12.619 -4.937 -15.687 19 1HB SER 4 1HB SER 4 -10.959 -6.666 -17.564 20 2HB SER 4 2HB SER 4 -10.751 -6.706 -15.824 21 HG SER 4 HG SER 4 -13.125 -7.379 -17.332 22 H SER 5 H SER 5 -11.921 -2.641 -15.572 23 HA SER 5 HA SER 5 -9.022 -2.495 -15.741 24 1HB SER 5 1HB SER 5 -10.669 -1.162 -17.514 25 2HB SER 5 2HB SER 5 -10.470 0.050 -16.264 26 HG SER 5 HG SER 5 -8.654 0.463 -17.353 27 H GLY 6 H GLY 6 -8.557 -2.543 -13.542 28 1HA GLY 6 1HA GLY 6 -9.611 -0.333 -11.940 29 2HA GLY 6 2HA GLY 6 -9.911 -1.963 -11.371 30 H THR 7 H THR 7 -7.953 0.570 -10.802 31 HA THR 7 HA THR 7 -5.493 -1.013 -10.565 32 HB THR 7 HB THR 7 -4.483 1.289 -10.222 33 HG1 THR 7 HG1 THR 7 -6.648 2.084 -9.399 34 1HG2 THR 7 1HG2 THR 7 -4.315 0.968 -12.518 35 2HG2 THR 7 2HG2 THR 7 -6.027 0.507 -12.674 36 3HG2 THR 7 3HG2 THR 7 -5.576 2.224 -12.552 37 HA PRO 8 HA PRO 8 -5.805 -1.237 -6.294 38 1HB PRO 8 1HB PRO 8 -3.199 -1.146 -5.476 39 2HB PRO 8 2HB PRO 8 -3.946 -2.587 -6.136 40 1HG PRO 8 1HG PRO 8 -2.029 -0.740 -7.420 41 2HG PRO 8 2HG PRO 8 -2.452 -2.377 -7.880 42 1HD PRO 8 1HD PRO 8 -3.339 0.043 -9.139 43 2HD PRO 8 2HD PRO 8 -3.853 -1.588 -9.524 44 H LEU 9 H LEU 9 -3.579 1.329 -7.232 45 HA LEU 9 HA LEU 9 -3.712 2.761 -4.887 46 1HB LEU 9 1HB LEU 9 -2.098 3.239 -6.575 47 2HB LEU 9 2HB LEU 9 -3.338 3.621 -7.753 48 HG LEU 9 HG LEU 9 -3.973 5.619 -6.464 49 1HD1 LEU 9 1HD1 LEU 9 -2.705 6.380 -4.555 50 2HD1 LEU 9 2HD1 LEU 9 -3.354 4.755 -4.227 51 3HD1 LEU 9 3HD1 LEU 9 -1.637 4.959 -4.650 52 1HD2 LEU 9 1HD2 LEU 9 -2.368 6.918 -7.395 53 2HD2 LEU 9 2HD2 LEU 9 -1.032 5.951 -6.727 54 3HD2 LEU 9 3HD2 LEU 9 -1.914 5.377 -8.163 55 H SER 10 H SER 10 -5.893 2.847 -7.769 56 HA SER 10 HA SER 10 -7.473 4.908 -6.769 57 1HB SER 10 1HB SER 10 -7.318 3.953 -9.173 58 2HB SER 10 2HB SER 10 -8.429 2.708 -8.639 59 HG SER 10 HG SER 10 -8.989 5.253 -9.422 60 H LEU 11 H LEU 11 -7.731 1.300 -6.632 61 HA LEU 11 HA LEU 11 -10.217 1.200 -5.381 62 1HB LEU 11 1HB LEU 11 -7.871 -0.696 -5.396 63 2HB LEU 11 2HB LEU 11 -9.411 -1.078 -4.652 64 HG LEU 11 HG LEU 11 -9.399 -0.198 -7.514 65 1HD1 LEU 11 1HD1 LEU 11 -7.566 -2.012 -6.983 66 2HD1 LEU 11 2HD1 LEU 11 -8.972 -3.102 -6.935 67 3HD1 LEU 11 3HD1 LEU 11 -8.625 -2.162 -8.406 68 1HD2 LEU 11 1HD2 LEU 11 -11.427 -0.801 -5.929 69 2HD2 LEU 11 2HD2 LEU 11 -11.424 -1.250 -7.652 70 3HD2 LEU 11 3HD2 LEU 11 -11.010 -2.462 -6.415 71 H THR 12 H THR 12 -6.863 1.412 -4.059 72 HA THR 12 HA THR 12 -7.641 1.211 -1.360 73 HB THR 12 HB THR 12 -5.290 2.328 -1.112 74 HG1 THR 12 HG1 THR 12 -4.515 3.054 -3.058 75 1HG2 THR 12 1HG2 THR 12 -6.029 -0.309 -2.015 76 2HG2 THR 12 2HG2 THR 12 -4.618 0.209 -2.968 77 3HG2 THR 12 3HG2 THR 12 -4.529 0.177 -1.190 78 H LEU 13 H LEU 13 -7.015 4.079 -3.477 79 HA LEU 13 HA LEU 13 -7.507 5.964 -1.487 80 1HB LEU 13 1HB LEU 13 -7.224 5.889 -4.407 81 2HB LEU 13 2HB LEU 13 -8.254 7.184 -3.829 82 HG LEU 13 HG LEU 13 -6.158 8.171 -3.935 83 1HD1 LEU 13 1HD1 LEU 13 -7.363 7.998 -1.517 84 2HD1 LEU 13 2HD1 LEU 13 -5.742 7.381 -1.116 85 3HD1 LEU 13 3HD1 LEU 13 -5.924 8.992 -1.851 86 1HD2 LEU 13 1HD2 LEU 13 -4.066 7.192 -3.357 87 2HD2 LEU 13 2HD2 LEU 13 -4.857 5.807 -2.566 88 3HD2 LEU 13 3HD2 LEU 13 -4.957 5.999 -4.333 89 H ASP 14 H ASP 14 -9.700 4.386 -3.890 90 HA ASP 14 HA ASP 14 -11.936 5.829 -3.352 91 1HB ASP 14 1HB ASP 14 -11.428 2.969 -4.191 92 2HB ASP 14 2HB ASP 14 -13.075 3.449 -3.832 93 H HIS 15 H HIS 15 -10.200 3.492 -1.386 94 HA HIS 15 HA HIS 15 -12.411 3.524 0.538 95 1HB HIS 15 1HB HIS 15 -10.677 1.268 -0.399 96 2HB HIS 15 2HB HIS 15 -11.208 1.277 1.271 97 HD1 HIS 15 HD1 HIS 15 -14.084 2.065 1.203 98 HD2 HIS 15 HD2 HIS 15 -12.379 -0.339 -1.782 99 HE1 HIS 15 HE1 HIS 15 -16.014 0.796 0.117 100 H TRP 16 H TRP 16 -10.517 5.596 0.405 101 HA TRP 16 HA TRP 16 -8.186 5.270 1.804 102 1HB TRP 16 1HB TRP 16 -8.817 7.306 0.629 103 2HB TRP 16 2HB TRP 16 -10.084 7.623 1.797 104 HD1 TRP 16 HD1 TRP 16 -9.293 9.541 3.371 105 HE1 TRP 16 HE1 TRP 16 -7.095 10.319 4.606 106 HE3 TRP 16 HE3 TRP 16 -6.321 5.855 1.517 107 HZ2 TRP 16 HZ2 TRP 16 -4.420 9.327 4.668 108 HZ3 TRP 16 HZ3 TRP 16 -3.928 5.832 2.215 109 HH2 TRP 16 HH2 TRP 16 -2.968 7.488 3.734 110 H SER 17 H SER 17 -11.583 5.492 2.929 111 HA SER 17 HA SER 17 -11.138 5.954 5.576 112 1HB SER 17 1HB SER 17 -13.265 4.127 4.375 113 2HB SER 17 2HB SER 17 -13.345 4.892 5.949 114 HG SER 17 HG SER 17 -13.428 6.960 4.943 115 H GLU 18 H GLU 18 -11.182 2.826 3.755 116 HA GLU 18 HA GLU 18 -10.836 1.227 6.004 117 1HB GLU 18 1HB GLU 18 -11.634 0.166 4.033 118 2HB GLU 18 2HB GLU 18 -10.359 0.838 3.036 119 1HG GLU 18 1HG GLU 18 -9.848 -1.509 3.427 120 2HG GLU 18 2HG GLU 18 -8.675 -0.548 4.305 121 H ILE 19 H ILE 19 -8.533 2.827 3.748 122 HA ILE 19 HA ILE 19 -6.237 1.566 4.789 123 HB ILE 19 HB ILE 19 -6.352 4.245 3.419 124 1HG1 ILE 19 1HG1 ILE 19 -7.732 2.945 2.029 125 2HG1 ILE 19 2HG1 ILE 19 -6.147 2.887 1.283 126 1HG2 ILE 19 1HG2 ILE 19 -4.179 3.533 4.330 127 2HG2 ILE 19 2HG2 ILE 19 -4.278 2.035 3.373 128 3HG2 ILE 19 3HG2 ILE 19 -4.175 3.611 2.552 129 1HD1 ILE 19 1HD1 ILE 19 -7.220 0.638 1.357 130 2HD1 ILE 19 2HD1 ILE 19 -5.708 0.673 2.295 131 3HD1 ILE 19 3HD1 ILE 19 -7.278 0.736 3.133 132 H ARG 20 H ARG 20 -8.112 4.490 5.650 133 HA ARG 20 HA ARG 20 -6.149 5.474 7.390 134 1HB ARG 20 1HB ARG 20 -9.146 5.989 7.112 135 2HB ARG 20 2HB ARG 20 -8.169 6.833 8.298 136 1HG ARG 20 1HG ARG 20 -6.633 7.168 6.025 137 2HG ARG 20 2HG ARG 20 -8.243 7.146 5.334 138 1HD ARG 20 1HD ARG 20 -7.925 8.813 7.803 139 2HD ARG 20 2HD ARG 20 -7.073 9.393 6.386 140 HE ARG 20 HE ARG 20 -9.140 9.789 5.297 141 1HH1 ARG 20 1HH1 ARG 20 -9.641 8.092 8.339 142 2HH1 ARG 20 2HH1 ARG 20 -11.353 8.354 8.350 143 1HH2 ARG 20 1HH2 ARG 20 -11.399 10.135 5.312 144 2HH2 ARG 20 2HH2 ARG 20 -12.360 9.524 6.617 145 H SER 21 H SER 21 -8.736 3.071 7.614 146 HA SER 21 HA SER 21 -8.922 3.138 10.428 147 1HB SER 21 1HB SER 21 -9.745 1.003 8.410 148 2HB SER 21 2HB SER 21 -10.183 0.979 10.106 149 HG SER 21 HG SER 21 -11.749 1.960 8.459 150 H ARG 22 H ARG 22 -7.287 0.995 8.000 151 HA ARG 22 HA ARG 22 -6.289 -0.839 9.732 152 1HB ARG 22 1HB ARG 22 -4.838 0.274 7.279 153 2HB ARG 22 2HB ARG 22 -4.593 -1.309 7.989 154 1HG ARG 22 1HG ARG 22 -7.426 -0.942 7.449 155 2HG ARG 22 2HG ARG 22 -6.515 -0.556 6.003 156 1HD ARG 22 1HD ARG 22 -5.214 -2.788 6.472 157 2HD ARG 22 2HD ARG 22 -6.531 -3.166 7.564 158 HE ARG 22 HE ARG 22 -7.553 -2.305 4.993 159 1HH1 ARG 22 1HH1 ARG 22 -6.103 -5.056 6.641 160 2HH1 ARG 22 2HH1 ARG 22 -6.810 -6.227 5.578 161 1HH2 ARG 22 1HH2 ARG 22 -8.485 -3.850 3.592 162 2HH2 ARG 22 2HH2 ARG 22 -8.174 -5.537 3.832 163 H ALA 23 H ALA 23 -5.191 2.478 9.007 164 HA ALA 23 HA ALA 23 -2.643 2.209 10.227 165 1HB ALA 23 1HB ALA 23 -4.055 4.101 8.673 166 2HB ALA 23 2HB ALA 23 -3.700 4.914 10.217 167 3HB ALA 23 3HB ALA 23 -2.376 4.217 9.253 168 H HIS 24 H HIS 24 -5.947 3.003 11.318 169 HA HIS 24 HA HIS 24 -5.164 4.068 13.800 170 1HB HIS 24 1HB HIS 24 -7.504 3.863 12.354 171 2HB HIS 24 2HB HIS 24 -7.796 2.758 13.682 172 HD1 HIS 24 HD1 HIS 24 -8.773 3.825 15.713 173 HD2 HIS 24 HD2 HIS 24 -6.525 6.541 13.440 174 HE1 HIS 24 HE1 HIS 24 -9.009 6.089 16.866 175 H ASN 25 H ASN 25 -5.979 0.769 12.619 176 HA ASN 25 HA ASN 25 -5.932 -0.361 15.186 177 1HB ASN 25 1HB ASN 25 -6.675 -1.202 12.633 178 2HB ASN 25 2HB ASN 25 -5.211 -2.128 12.894 179 1HD2 ASN 25 1HD2 ASN 25 -8.426 -1.399 14.069 180 2HD2 ASN 25 2HD2 ASN 25 -8.647 -2.799 15.065 181 H LEU 26 H LEU 26 -3.544 0.460 12.692 182 HA LEU 26 HA LEU 26 -1.498 -1.196 13.906 183 1HB LEU 26 1HB LEU 26 -1.528 0.626 11.499 184 2HB LEU 26 2HB LEU 26 -0.098 -0.216 12.065 185 HG LEU 26 HG LEU 26 -2.660 -1.583 11.197 186 1HD1 LEU 26 1HD1 LEU 26 -0.337 -0.592 9.665 187 2HD1 LEU 26 2HD1 LEU 26 -0.825 -2.269 9.319 188 3HD1 LEU 26 3HD1 LEU 26 -2.002 -0.944 9.143 189 1HD2 LEU 26 1HD2 LEU 26 0.060 -2.641 11.988 190 2HD2 LEU 26 2HD2 LEU 26 -1.522 -2.997 12.722 191 3HD2 LEU 26 3HD2 LEU 26 -1.143 -3.599 11.091 192 H SER 27 H SER 27 -2.949 1.812 14.471 193 HA SER 27 HA SER 27 -2.446 3.474 15.773 194 1HB SER 27 1HB SER 27 0.145 2.130 16.616 195 2HB SER 27 2HB SER 27 -0.844 3.241 17.544 196 HG SER 27 HG SER 27 -0.973 0.544 17.499 197 H VAL 28 H VAL 28 -1.886 3.940 13.173 198 HA VAL 28 HA VAL 28 0.489 5.607 13.344 199 HB VAL 28 HB VAL 28 1.124 4.807 11.022 200 1HG1 VAL 28 1HG1 VAL 28 2.563 4.280 12.839 201 2HG1 VAL 28 2HG1 VAL 28 1.443 3.047 13.467 202 3HG1 VAL 28 3HG1 VAL 28 2.319 2.761 11.944 203 1HG2 VAL 28 1HG2 VAL 28 -1.068 3.560 10.692 204 2HG2 VAL 28 2HG2 VAL 28 0.412 2.675 10.249 205 3HG2 VAL 28 3HG2 VAL 28 -0.417 2.313 11.782 206 H GLU 29 H GLU 29 0.436 7.393 11.826 207 HA GLU 29 HA GLU 29 -2.260 7.780 10.780 208 1HB GLU 29 1HB GLU 29 -0.873 9.336 12.639 209 2HB GLU 29 2HB GLU 29 -0.625 10.213 11.142 210 1HG GLU 29 1HG GLU 29 -3.370 9.413 11.142 211 2HG GLU 29 2HG GLU 29 -3.039 10.004 12.758 212 H ILE 30 H ILE 30 -2.507 8.659 8.657 213 HA ILE 30 HA ILE 30 -0.068 9.179 7.167 214 HB ILE 30 HB ILE 30 -0.721 7.658 5.367 215 1HG1 ILE 30 1HG1 ILE 30 -2.876 6.754 7.296 216 2HG1 ILE 30 2HG1 ILE 30 -3.110 7.514 5.735 217 1HG2 ILE 30 1HG2 ILE 30 -0.541 5.913 7.787 218 2HG2 ILE 30 2HG2 ILE 30 0.358 5.845 6.252 219 3HG2 ILE 30 3HG2 ILE 30 0.767 7.078 7.469 220 1HD1 ILE 30 1HD1 ILE 30 -2.746 5.569 4.591 221 2HD1 ILE 30 2HD1 ILE 30 -1.382 5.103 5.635 222 3HD1 ILE 30 3HD1 ILE 30 -3.053 4.787 6.160 223 H LYS 31 H LYS 31 -0.702 9.993 4.871 224 HA LYS 31 HA LYS 31 -3.179 11.550 5.152 225 1HB LYS 31 1HB LYS 31 -0.408 12.352 4.426 226 2HB LYS 31 2HB LYS 31 -1.698 13.076 3.487 227 1HG LYS 31 1HG LYS 31 -1.546 13.069 6.540 228 2HG LYS 31 2HG LYS 31 -1.120 14.427 5.517 229 1HD LYS 31 1HD LYS 31 -3.719 13.619 4.669 230 2HD LYS 31 2HD LYS 31 -3.760 13.568 6.420 231 1HE LYS 31 1HE LYS 31 -2.383 15.956 5.887 232 2HE LYS 31 2HE LYS 31 -3.591 15.903 4.619 233 1HZ LYS 31 1HZ LYS 31 -4.851 16.755 6.237 234 2HZ LYS 31 2HZ LYS 31 -5.043 15.201 6.700 235 3HZ LYS 31 3HZ LYS 31 -3.952 16.149 7.459 236 H LYS 32 H LYS 32 -4.050 12.276 2.932 237 HA LYS 32 HA LYS 32 -4.024 9.907 1.241 238 1HB LYS 32 1HB LYS 32 -6.221 10.392 1.634 239 2HB LYS 32 2HB LYS 32 -5.940 12.112 1.814 240 1HG LYS 32 1HG LYS 32 -5.758 12.433 -0.581 241 2HG LYS 32 2HG LYS 32 -5.656 10.708 -0.876 242 1HD LYS 32 1HD LYS 32 -8.081 12.303 0.040 243 2HD LYS 32 2HD LYS 32 -7.912 11.351 -1.422 244 1HE LYS 32 1HE LYS 32 -7.448 9.383 0.391 245 2HE LYS 32 2HE LYS 32 -8.423 10.434 1.398 246 1HZ LYS 32 1HZ LYS 32 -9.800 10.409 -0.883 247 2HZ LYS 32 2HZ LYS 32 -9.194 8.893 -0.878 248 3HZ LYS 32 3HZ LYS 32 -10.096 9.417 0.379 249 H GLY 33 H GLY 33 -2.509 12.960 1.516 250 1HA GLY 33 1HA GLY 33 -2.330 13.524 -1.309 251 2HA GLY 33 2HA GLY 33 -1.526 14.356 0.008 252 HA PRO 34 HA PRO 34 2.022 11.854 -0.465 253 1HB PRO 34 1HB PRO 34 2.597 10.620 1.904 254 2HB PRO 34 2HB PRO 34 2.933 12.313 1.599 255 1HG PRO 34 1HG PRO 34 0.781 11.116 3.235 256 2HG PRO 34 2HG PRO 34 1.391 12.759 3.255 257 1HD PRO 34 1HD PRO 34 -1.052 11.849 2.058 258 2HD PRO 34 2HD PRO 34 -0.385 13.468 1.978 259 H TRP 35 H TRP 35 -0.500 9.934 1.002 260 HA TRP 35 HA TRP 35 0.478 7.432 0.521 261 1HB TRP 35 1HB TRP 35 -1.520 7.736 1.763 262 2HB TRP 35 2HB TRP 35 -2.331 8.522 0.423 263 HD1 TRP 35 HD1 TRP 35 -3.229 6.877 -1.587 264 HE1 TRP 35 HE1 TRP 35 -3.828 4.310 -1.722 265 HE3 TRP 35 HE3 TRP 35 -0.785 5.544 2.669 266 HZ2 TRP 35 HZ2 TRP 35 -3.226 2.062 -0.071 267 HZ3 TRP 35 HZ3 TRP 35 -0.840 3.143 3.336 268 HH2 TRP 35 HH2 TRP 35 -2.006 1.428 2.043 269 H ARG 36 H ARG 36 -1.045 9.800 -1.721 270 HA ARG 36 HA ARG 36 -1.078 7.945 -3.854 271 1HB ARG 36 1HB ARG 36 -2.458 10.221 -3.383 272 2HB ARG 36 2HB ARG 36 -1.163 10.927 -4.330 273 1HG ARG 36 1HG ARG 36 -1.811 9.862 -6.285 274 2HG ARG 36 2HG ARG 36 -2.369 8.425 -5.450 275 1HD ARG 36 1HD ARG 36 -4.284 9.988 -4.523 276 2HD ARG 36 2HD ARG 36 -3.824 11.066 -5.825 277 HE ARG 36 HE ARG 36 -4.136 8.403 -6.866 278 1HH1 ARG 36 1HH1 ARG 36 -6.036 11.105 -5.652 279 2HH1 ARG 36 2HH1 ARG 36 -7.445 10.693 -6.572 280 1HH2 ARG 36 1HH2 ARG 36 -5.994 7.860 -8.080 281 2HH2 ARG 36 2HH2 ARG 36 -7.421 8.835 -7.962 282 H THR 37 H THR 37 0.893 10.861 -2.956 283 HA THR 37 HA THR 37 2.570 10.880 -5.163 284 HB THR 37 HB THR 37 2.877 11.733 -2.245 285 HG1 THR 37 HG1 THR 37 2.576 13.064 -4.845 286 1HG2 THR 37 1HG2 THR 37 4.978 11.489 -4.203 287 2HG2 THR 37 2HG2 THR 37 4.548 13.212 -4.092 288 3HG2 THR 37 3HG2 THR 37 5.048 12.324 -2.633 289 H PHE 38 H PHE 38 2.993 9.160 -2.005 290 HA PHE 38 HA PHE 38 5.461 8.078 -2.566 291 1HB PHE 38 1HB PHE 38 2.984 7.203 -0.991 292 2HB PHE 38 2HB PHE 38 4.427 6.208 -0.974 293 HD1 PHE 38 HD1 PHE 38 6.525 8.333 -0.912 294 HD2 PHE 38 HD2 PHE 38 2.863 7.988 1.204 295 HE1 PHE 38 HE1 PHE 38 7.467 9.733 0.946 296 HE2 PHE 38 HE2 PHE 38 3.805 9.388 3.062 297 HZ PHE 38 HZ PHE 38 6.096 10.244 2.911 298 H CYS 39 H CYS 39 2.197 7.077 -3.625 299 HA CYS 39 HA CYS 39 3.363 4.704 -4.848 300 1HB CYS 39 1HB CYS 39 1.221 4.635 -3.415 301 2HB CYS 39 2HB CYS 39 0.421 5.401 -4.773 302 HG CYS 39 HG CYS 39 -0.085 2.865 -4.904 303 H ALA 40 H ALA 40 3.441 7.800 -5.583 304 HA ALA 40 HA ALA 40 2.208 7.651 -8.219 305 1HB ALA 40 1HB ALA 40 1.857 9.629 -6.717 306 2HB ALA 40 2HB ALA 40 3.602 9.964 -6.814 307 3HB ALA 40 3HB ALA 40 2.596 10.050 -8.280 308 H SER 41 H SER 41 5.402 8.485 -6.693 309 HA SER 41 HA SER 41 6.721 7.026 -8.743 310 1HB SER 41 1HB SER 41 6.233 9.760 -9.251 311 2HB SER 41 2HB SER 41 7.899 9.712 -8.710 312 HG SER 41 HG SER 41 8.011 7.778 -10.326 313 H GLU 42 H GLU 42 6.507 6.768 -5.900 314 HA GLU 42 HA GLU 42 9.186 7.601 -5.095 315 1HB GLU 42 1HB GLU 42 7.092 8.537 -3.845 316 2HB GLU 42 2HB GLU 42 6.947 6.932 -3.157 317 1HG GLU 42 1HG GLU 42 8.340 7.812 -1.548 318 2HG GLU 42 2HG GLU 42 9.587 7.329 -2.679 319 H TRP 43 H TRP 43 6.636 5.045 -4.740 320 HA TRP 43 HA TRP 43 8.499 3.171 -3.654 321 1HB TRP 43 1HB TRP 43 5.641 3.003 -4.592 322 2HB TRP 43 2HB TRP 43 6.540 1.583 -4.097 323 HD1 TRP 43 HD1 TRP 43 8.017 3.519 -1.654 324 HE1 TRP 43 HE1 TRP 43 6.714 3.832 0.619 325 HE3 TRP 43 HE3 TRP 43 3.455 2.216 -3.482 326 HZ2 TRP 43 HZ2 TRP 43 3.983 3.507 1.381 327 HZ3 TRP 43 HZ3 TRP 43 1.523 2.239 -1.907 328 HH2 TRP 43 HH2 TRP 43 1.732 2.856 0.449 329 HA PRO 44 HA PRO 44 8.193 1.716 -8.172 330 1HB PRO 44 1HB PRO 44 7.198 3.425 -10.058 331 2HB PRO 44 2HB PRO 44 6.235 2.176 -9.294 332 1HG PRO 44 1HG PRO 44 6.204 5.093 -8.815 333 2HG PRO 44 2HG PRO 44 4.993 3.899 -8.395 334 1HD PRO 44 1HD PRO 44 6.877 5.131 -6.618 335 2HD PRO 44 2HD PRO 44 5.745 3.854 -6.222 336 H THR 45 H THR 45 9.495 4.374 -6.870 337 HA THR 45 HA THR 45 11.408 4.638 -9.095 338 HB THR 45 HB THR 45 11.860 6.884 -7.832 339 HG1 THR 45 HG1 THR 45 10.717 6.443 -5.895 340 1HG2 THR 45 1HG2 THR 45 10.303 6.527 -9.944 341 2HG2 THR 45 2HG2 THR 45 8.975 6.683 -8.770 342 3HG2 THR 45 3HG2 THR 45 10.126 8.022 -8.994 343 H PHE 46 H PHE 46 11.193 2.580 -6.808 344 HA PHE 46 HA PHE 46 13.716 3.225 -5.480 345 1HB PHE 46 1HB PHE 46 11.362 1.317 -5.038 346 2HB PHE 46 2HB PHE 46 12.870 1.050 -4.187 347 HD1 PHE 46 HD1 PHE 46 11.076 1.290 -2.271 348 HD2 PHE 46 HD2 PHE 46 12.471 4.506 -4.663 349 HE1 PHE 46 HE1 PHE 46 10.364 2.917 -0.498 350 HE2 PHE 46 HE2 PHE 46 11.758 6.133 -2.890 351 HZ PHE 46 HZ PHE 46 10.714 5.320 -0.828 352 H ASP 47 H ASP 47 12.851 1.895 -8.327 353 HA ASP 47 HA ASP 47 13.591 0.331 -9.645 354 1HB ASP 47 1HB ASP 47 16.019 1.059 -8.003 355 2HB ASP 47 2HB ASP 47 16.159 -0.280 -9.125 356 H VAL 48 H VAL 48 12.150 -1.358 -8.716 357 HA VAL 48 HA VAL 48 13.672 -3.546 -7.609 358 HB VAL 48 HB VAL 48 11.947 -3.862 -5.795 359 1HG1 VAL 48 1HG1 VAL 48 14.365 -2.746 -5.690 360 2HG1 VAL 48 2HG1 VAL 48 13.412 -1.325 -5.196 361 3HG1 VAL 48 3HG1 VAL 48 13.306 -2.837 -4.262 362 1HG2 VAL 48 1HG2 VAL 48 11.071 -1.459 -5.053 363 2HG2 VAL 48 2HG2 VAL 48 11.139 -1.166 -6.808 364 3HG2 VAL 48 3HG2 VAL 48 10.145 -2.495 -6.165 365 H GLY 49 H GLY 49 10.272 -2.376 -8.178 366 1HA GLY 49 1HA GLY 49 9.608 -3.623 -10.433 367 2HA GLY 49 2HA GLY 49 9.578 -4.967 -9.309 368 H TRP 50 H TRP 50 8.743 -1.516 -8.634 369 HA TRP 50 HA TRP 50 6.072 -2.457 -7.867 370 1HB TRP 50 1HB TRP 50 7.280 -1.498 -6.036 371 2HB TRP 50 2HB TRP 50 7.713 -0.084 -6.977 372 HD1 TRP 50 HD1 TRP 50 5.674 1.728 -7.442 373 HE1 TRP 50 HE1 TRP 50 3.440 2.310 -6.163 374 HE3 TRP 50 HE3 TRP 50 5.495 -2.564 -4.720 375 HZ2 TRP 50 HZ2 TRP 50 1.885 0.942 -4.201 376 HZ3 TRP 50 HZ3 TRP 50 3.586 -2.862 -3.146 377 HH2 TRP 50 HH2 TRP 50 1.820 -1.195 -2.863 378 HA PRO 51 HA PRO 51 4.772 -0.253 -11.418 379 1HB PRO 51 1HB PRO 51 2.094 -0.759 -11.211 380 2HB PRO 51 2HB PRO 51 3.225 -1.871 -11.957 381 1HG PRO 51 1HG PRO 51 1.926 -2.048 -9.307 382 2HG PRO 51 2HG PRO 51 2.702 -3.315 -10.236 383 1HD PRO 51 1HD PRO 51 3.785 -1.948 -7.959 384 2HD PRO 51 2HD PRO 51 4.604 -3.132 -8.957 385 HA PRO 52 HA PRO 52 3.428 3.565 -10.149 386 1HB PRO 52 1HB PRO 52 2.101 4.564 -12.320 387 2HB PRO 52 2HB PRO 52 3.848 4.549 -12.188 388 1HG PRO 52 1HG PRO 52 2.097 2.809 -13.814 389 2HG PRO 52 2HG PRO 52 3.817 3.099 -13.982 390 1HD PRO 52 1HD PRO 52 2.570 0.776 -12.851 391 2HD PRO 52 2HD PRO 52 4.288 1.118 -12.913 392 H GLU 53 H GLU 53 0.920 1.573 -11.538 393 HA GLU 53 HA GLU 53 -1.112 3.096 -10.279 394 1HB GLU 53 1HB GLU 53 -0.997 0.524 -11.858 395 2HB GLU 53 2HB GLU 53 -2.451 0.894 -10.952 396 1HG GLU 53 1HG GLU 53 -1.158 2.672 -13.073 397 2HG GLU 53 2HG GLU 53 -2.634 1.748 -13.265 398 H GLY 54 H GLY 54 1.058 0.525 -9.346 399 1HA GLY 54 1HA GLY 54 1.327 0.047 -7.039 400 2HA GLY 54 2HA GLY 54 -0.393 0.271 -6.793 401 H THR 55 H THR 55 0.544 -2.017 -5.748 402 HA THR 55 HA THR 55 -0.762 -4.014 -7.344 403 HB THR 55 HB THR 55 1.662 -3.836 -8.233 404 HG1 THR 55 HG1 THR 55 0.484 -5.786 -8.528 405 1HG2 THR 55 1HG2 THR 55 2.127 -4.931 -5.418 406 2HG2 THR 55 2HG2 THR 55 3.240 -5.269 -6.766 407 3HG2 THR 55 3HG2 THR 55 2.988 -3.594 -6.219 408 H PHE 56 H PHE 56 -1.577 -5.683 -6.115 409 HA PHE 56 HA PHE 56 -1.244 -5.272 -3.250 410 1HB PHE 56 1HB PHE 56 -3.206 -6.708 -5.117 411 2HB PHE 56 2HB PHE 56 -3.255 -7.002 -3.391 412 HD1 PHE 56 HD1 PHE 56 -4.940 -5.354 -5.778 413 HD2 PHE 56 HD2 PHE 56 -2.984 -4.489 -2.113 414 HE1 PHE 56 HE1 PHE 56 -6.400 -3.335 -5.475 415 HE2 PHE 56 HE2 PHE 56 -4.444 -2.470 -1.810 416 HZ PHE 56 HZ PHE 56 -6.134 -1.917 -3.495 417 H ASP 57 H ASP 57 1.019 -6.422 -4.479 418 HA ASP 57 HA ASP 57 0.702 -9.256 -3.963 419 1HB ASP 57 1HB ASP 57 1.804 -8.435 -6.095 420 2HB ASP 57 2HB ASP 57 3.078 -7.726 -5.122 421 H LEU 58 H LEU 58 1.725 -10.204 -2.149 422 HA LEU 58 HA LEU 58 2.737 -8.451 -0.160 423 1HB LEU 58 1HB LEU 58 1.560 -10.938 -0.229 424 2HB LEU 58 2HB LEU 58 3.219 -11.319 0.185 425 HG LEU 58 HG LEU 58 1.702 -11.021 2.140 426 1HD1 LEU 58 1HD1 LEU 58 3.733 -8.849 2.386 427 2HD1 LEU 58 2HD1 LEU 58 3.369 -10.214 3.469 428 3HD1 LEU 58 3HD1 LEU 58 4.297 -10.487 1.975 429 1HD2 LEU 58 1HD2 LEU 58 1.026 -8.595 0.767 430 2HD2 LEU 58 2HD2 LEU 58 0.290 -9.315 2.218 431 3HD2 LEU 58 3HD2 LEU 58 1.670 -8.203 2.379 432 H THR 59 H THR 59 4.107 -10.302 -2.815 433 HA THR 59 HA THR 59 6.752 -10.404 -1.725 434 HB THR 59 HB THR 59 5.527 -10.868 -4.491 435 HG1 THR 59 HG1 THR 59 5.175 -12.773 -3.427 436 1HG2 THR 59 1HG2 THR 59 7.765 -12.243 -4.700 437 2HG2 THR 59 2HG2 THR 59 7.824 -10.494 -5.025 438 3HG2 THR 59 3HG2 THR 59 8.379 -11.127 -3.457 439 H VAL 60 H VAL 60 5.131 -8.393 -4.267 440 HA VAL 60 HA VAL 60 7.413 -6.791 -4.669 441 HB VAL 60 HB VAL 60 4.493 -6.226 -5.220 442 1HG1 VAL 60 1HG1 VAL 60 6.279 -4.324 -5.296 443 2HG1 VAL 60 2HG1 VAL 60 6.809 -5.121 -6.797 444 3HG1 VAL 60 3HG1 VAL 60 5.142 -4.512 -6.653 445 1HG2 VAL 60 1HG2 VAL 60 5.585 -8.391 -6.163 446 2HG2 VAL 60 2HG2 VAL 60 4.684 -7.324 -7.267 447 3HG2 VAL 60 3HG2 VAL 60 6.463 -7.281 -7.242 448 H ILE 61 H ILE 61 4.610 -6.663 -2.448 449 HA ILE 61 HA ILE 61 4.984 -4.027 -1.596 450 HB ILE 61 HB ILE 61 3.596 -6.455 -0.556 451 1HG1 ILE 61 1HG1 ILE 61 2.576 -3.663 -1.135 452 2HG1 ILE 61 2HG1 ILE 61 2.658 -4.932 -2.340 453 1HG2 ILE 61 1HG2 ILE 61 3.963 -3.894 1.022 454 2HG2 ILE 61 2HG2 ILE 61 2.810 -5.194 1.410 455 3HG2 ILE 61 3HG2 ILE 61 4.561 -5.513 1.460 456 1HD1 ILE 61 1HD1 ILE 61 0.461 -5.156 -1.528 457 2HD1 ILE 61 2HD1 ILE 61 1.337 -6.372 -0.567 458 3HD1 ILE 61 3HD1 ILE 61 0.939 -4.791 0.148 459 H PHE 62 H PHE 62 6.308 -7.178 -0.428 460 HA PHE 62 HA PHE 62 7.624 -6.147 1.792 461 1HB PHE 62 1HB PHE 62 7.602 -8.548 0.013 462 2HB PHE 62 2HB PHE 62 9.164 -8.283 0.763 463 HD1 PHE 62 HD1 PHE 62 5.666 -7.867 2.015 464 HD2 PHE 62 HD2 PHE 62 9.433 -9.757 2.511 465 HE1 PHE 62 HE1 PHE 62 4.841 -8.960 4.119 466 HE2 PHE 62 HE2 PHE 62 8.608 -10.850 4.614 467 HZ PHE 62 HZ PHE 62 6.322 -10.438 5.393 468 H GLU 63 H GLU 63 8.491 -6.236 -1.672 469 HA GLU 63 HA GLU 63 11.193 -5.806 -1.402 470 1HB GLU 63 1HB GLU 63 9.238 -4.949 -3.575 471 2HB GLU 63 2HB GLU 63 10.975 -4.780 -3.736 472 1HG GLU 63 1HG GLU 63 11.330 -7.159 -3.631 473 2HG GLU 63 2HG GLU 63 9.715 -7.456 -3.019 474 H VAL 64 H VAL 64 8.485 -3.414 -1.777 475 HA VAL 64 HA VAL 64 10.188 -1.173 -1.555 476 HB VAL 64 HB VAL 64 7.221 -1.640 -1.363 477 1HG1 VAL 64 1HG1 VAL 64 7.112 0.230 -0.099 478 2HG1 VAL 64 2HG1 VAL 64 8.761 0.745 -0.529 479 3HG1 VAL 64 3HG1 VAL 64 7.409 1.066 -1.642 480 1HG2 VAL 64 1HG2 VAL 64 8.811 -0.030 -3.379 481 2HG2 VAL 64 2HG2 VAL 64 8.455 -1.763 -3.572 482 3HG2 VAL 64 3HG2 VAL 64 7.124 -0.584 -3.499 483 H LYS 65 H LYS 65 8.406 -3.238 0.752 484 HA LYS 65 HA LYS 65 8.626 -1.505 2.949 485 1HB LYS 65 1HB LYS 65 7.021 -3.353 2.828 486 2HB LYS 65 2HB LYS 65 8.328 -4.521 2.826 487 1HG LYS 65 1HG LYS 65 9.049 -3.216 5.061 488 2HG LYS 65 2HG LYS 65 7.357 -2.759 5.079 489 1HD LYS 65 1HD LYS 65 6.633 -4.904 5.534 490 2HD LYS 65 2HD LYS 65 7.865 -5.650 4.536 491 1HE LYS 65 1HE LYS 65 9.308 -4.441 6.653 492 2HE LYS 65 2HE LYS 65 7.890 -5.123 7.423 493 1HZ LYS 65 1HZ LYS 65 8.986 -6.898 5.521 494 2HZ LYS 65 2HZ LYS 65 10.099 -6.482 6.641 495 3HZ LYS 65 3HZ LYS 65 8.681 -7.143 7.107 496 H ALA 66 H ALA 66 10.802 -3.939 1.484 497 HA ALA 66 HA ALA 66 12.610 -4.136 3.589 498 1HB ALA 66 1HB ALA 66 13.469 -4.224 0.700 499 2HB ALA 66 2HB ALA 66 13.936 -5.282 2.053 500 3HB ALA 66 3HB ALA 66 12.324 -5.441 1.315 501 H ILE 67 H ILE 67 12.629 -1.977 0.664 502 HA ILE 67 HA ILE 67 14.921 -0.573 1.501 503 HB ILE 67 HB ILE 67 12.734 0.072 -0.474 504 1HG1 ILE 67 1HG1 ILE 67 15.331 -0.455 -1.600 505 2HG1 ILE 67 2HG1 ILE 67 14.890 -1.772 -0.532 506 1HG2 ILE 67 1HG2 ILE 67 14.124 1.827 -1.347 507 2HG2 ILE 67 2HG2 ILE 67 13.851 2.123 0.387 508 3HG2 ILE 67 3HG2 ILE 67 15.408 1.462 -0.169 509 1HD1 ILE 67 1HD1 ILE 67 13.662 -0.930 -3.105 510 2HD1 ILE 67 2HD1 ILE 67 13.719 -2.538 -2.344 511 3HD1 ILE 67 3HD1 ILE 67 12.496 -1.352 -1.828 512 H VAL 68 H VAL 68 11.385 -0.088 1.942 513 HA VAL 68 HA VAL 68 11.555 2.468 3.048 514 HB VAL 68 HB VAL 68 9.579 0.207 3.193 515 1HG1 VAL 68 1HG1 VAL 68 8.771 1.050 5.110 516 2HG1 VAL 68 2HG1 VAL 68 9.753 2.529 4.979 517 3HG1 VAL 68 3HG1 VAL 68 8.197 2.414 4.121 518 1HG2 VAL 68 1HG2 VAL 68 10.071 1.940 1.197 519 2HG2 VAL 68 2HG2 VAL 68 8.448 1.298 1.544 520 3HG2 VAL 68 3HG2 VAL 68 8.912 2.911 2.136 521 H PHE 69 H PHE 69 11.624 -0.827 4.545 522 HA PHE 69 HA PHE 69 12.220 0.423 7.105 523 1HB PHE 69 1HB PHE 69 11.564 -2.393 6.075 524 2HB PHE 69 2HB PHE 69 12.057 -2.130 7.736 525 HD1 PHE 69 HD1 PHE 69 10.400 -1.852 9.312 526 HD2 PHE 69 HD2 PHE 69 9.566 -0.802 5.286 527 HE1 PHE 69 HE1 PHE 69 8.022 -1.344 9.937 528 HE2 PHE 69 HE2 PHE 69 7.188 -0.295 5.911 529 HZ PHE 69 HZ PHE 69 6.445 -0.572 8.229 530 H GLN 70 H GLN 70 14.291 0.899 5.347 531 HA GLN 70 HA GLN 70 16.198 -1.229 5.806 532 1HB GLN 70 1HB GLN 70 17.551 -0.194 4.113 533 2HB GLN 70 2HB GLN 70 15.903 -0.162 3.517 534 1HG GLN 70 1HG GLN 70 15.641 2.185 4.135 535 2HG GLN 70 2HG GLN 70 17.160 2.185 5.008 536 1HE2 GLN 70 1HE2 GLN 70 15.714 1.695 1.815 537 2HE2 GLN 70 2HE2 GLN 70 17.049 2.263 0.869 538 H ASP 71 H ASP 71 18.599 -0.193 6.172 539 HA ASP 71 HA ASP 71 18.270 1.302 8.621 540 1HB ASP 71 1HB ASP 71 19.658 -0.811 8.527 541 2HB ASP 71 2HB ASP 71 20.752 -0.010 7.417 542 H GLY 72 H GLY 72 19.246 3.390 8.907 543 1HA GLY 72 1HA GLY 72 20.873 5.012 8.249 544 2HA GLY 72 2HA GLY 72 20.703 4.488 6.585 545 HA PRO 73 HA PRO 73 17.921 8.046 7.210 546 1HB PRO 73 1HB PRO 73 19.016 9.737 5.363 547 2HB PRO 73 2HB PRO 73 19.423 9.785 7.067 548 1HG PRO 73 1HG PRO 73 21.012 8.725 4.810 549 2HG PRO 73 2HG PRO 73 21.549 9.169 6.418 550 1HD PRO 73 1HD PRO 73 21.124 6.512 5.423 551 2HD PRO 73 2HD PRO 73 21.550 6.962 7.062 552 H GLY 74 H GLY 74 18.656 5.823 4.908 553 1HA GLY 74 1HA GLY 74 17.012 6.812 2.786 554 2HA GLY 74 2HA GLY 74 17.687 5.205 2.959 555 H SER 75 H SER 75 16.572 4.689 5.656 556 HA SER 75 HA SER 75 14.335 3.377 5.031 557 1HB SER 75 1HB SER 75 14.121 4.562 7.717 558 2HB SER 75 2HB SER 75 14.295 2.881 7.252 559 HG SER 75 HG SER 75 16.579 3.196 7.025 560 H HIS 76 H HIS 76 12.009 3.762 5.323 561 HA HIS 76 HA HIS 76 11.362 6.616 5.159 562 1HB HIS 76 1HB HIS 76 9.962 4.278 3.830 563 2HB HIS 76 2HB HIS 76 9.444 5.951 3.752 564 HD1 HIS 76 HD1 HIS 76 11.817 7.538 2.963 565 HD2 HIS 76 HD2 HIS 76 11.194 3.662 1.487 566 HE1 HIS 76 HE1 HIS 76 13.170 7.368 0.806 567 HA PRO 77 HA PRO 77 9.337 5.229 8.880 568 1HB PRO 77 1HB PRO 77 9.611 7.565 10.271 569 2HB PRO 77 2HB PRO 77 10.787 6.267 10.336 570 1HG PRO 77 1HG PRO 77 10.958 8.854 8.916 571 2HG PRO 77 2HG PRO 77 12.249 7.750 9.344 572 1HD PRO 77 1HD PRO 77 11.080 8.098 6.749 573 2HD PRO 77 2HD PRO 77 12.289 6.914 7.203 574 H ASP 78 H ASP 78 8.732 7.713 6.660 575 HA ASP 78 HA ASP 78 6.223 8.357 7.881 576 1HB ASP 78 1HB ASP 78 7.849 9.318 5.549 577 2HB ASP 78 2HB ASP 78 6.115 9.531 5.414 578 H GLN 79 H GLN 79 7.614 6.490 5.147 579 HA GLN 79 HA GLN 79 4.994 5.885 4.132 580 1HB GLN 79 1HB GLN 79 7.712 4.846 3.217 581 2HB GLN 79 2HB GLN 79 6.202 4.708 2.338 582 1HG GLN 79 1HG GLN 79 6.065 7.108 2.008 583 2HG GLN 79 2HG GLN 79 7.358 7.408 3.152 584 1HE2 GLN 79 1HE2 GLN 79 9.053 8.132 2.123 585 2HE2 GLN 79 2HE2 GLN 79 9.745 7.505 0.664 586 H GLN 80 H GLN 80 7.246 4.656 6.451 587 HA GLN 80 HA GLN 80 7.040 1.974 6.220 588 1HB GLN 80 1HB GLN 80 7.517 3.900 8.422 589 2HB GLN 80 2HB GLN 80 6.913 2.348 8.968 590 1HG GLN 80 1HG GLN 80 8.768 1.163 8.111 591 2HG GLN 80 2HG GLN 80 9.146 2.400 6.928 592 1HE2 GLN 80 1HE2 GLN 80 11.051 3.205 7.352 593 2HE2 GLN 80 2HE2 GLN 80 11.655 3.719 8.892 594 HA PRO 81 HA PRO 81 2.890 2.218 8.520 595 1HB PRO 81 1HB PRO 81 1.616 4.625 8.745 596 2HB PRO 81 2HB PRO 81 2.617 3.949 10.014 597 1HG PRO 81 1HG PRO 81 3.231 6.158 8.148 598 2HG PRO 81 2HG PRO 81 4.011 5.752 9.664 599 1HD PRO 81 1HD PRO 81 5.010 5.232 7.026 600 2HD PRO 81 2HD PRO 81 5.733 4.724 8.539 601 H TYR 82 H TYR 82 3.482 4.098 5.718 602 HA TYR 82 HA TYR 82 0.829 3.814 4.695 603 1HB TYR 82 1HB TYR 82 3.621 4.583 3.671 604 2HB TYR 82 2HB TYR 82 2.257 4.535 2.571 605 HD1 TYR 82 HD1 TYR 82 1.464 6.643 2.050 606 HD2 TYR 82 HD2 TYR 82 2.801 5.883 6.042 607 HE1 TYR 82 HE1 TYR 82 0.851 9.019 2.715 608 HE2 TYR 82 HE2 TYR 82 2.183 8.261 6.694 609 HH TYR 82 HH TYR 82 1.905 10.406 5.617 610 H ILE 83 H ILE 83 4.045 2.270 4.029 611 HA ILE 83 HA ILE 83 2.993 0.534 2.066 612 HB ILE 83 HB ILE 83 5.355 1.288 2.278 613 1HG1 ILE 83 1HG1 ILE 83 6.327 -0.962 1.690 614 2HG1 ILE 83 2HG1 ILE 83 4.791 -1.685 2.124 615 1HG2 ILE 83 1HG2 ILE 83 6.844 0.053 3.813 616 2HG2 ILE 83 2HG2 ILE 83 5.666 1.077 4.669 617 3HG2 ILE 83 3HG2 ILE 83 5.415 -0.683 4.579 618 1HD1 ILE 83 1HD1 ILE 83 3.660 -0.734 0.312 619 2HD1 ILE 83 2HD1 ILE 83 4.780 0.645 0.205 620 3HD1 ILE 83 3HD1 ILE 83 5.281 -0.956 -0.388 621 H THR 84 H THR 84 3.447 0.364 5.614 622 HA THR 84 HA THR 84 3.071 -2.352 5.973 623 HB THR 84 HB THR 84 2.348 0.106 7.645 624 HG1 THR 84 HG1 THR 84 4.516 -0.132 8.016 625 1HG2 THR 84 1HG2 THR 84 2.306 -2.873 8.307 626 2HG2 THR 84 2HG2 THR 84 2.631 -1.648 9.557 627 3HG2 THR 84 3HG2 THR 84 1.075 -1.647 8.693 628 H VAL 85 H VAL 85 0.571 0.263 5.809 629 HA VAL 85 HA VAL 85 -1.612 -1.365 6.242 630 HB VAL 85 HB VAL 85 -1.286 1.132 4.569 631 1HG1 VAL 85 1HG1 VAL 85 -3.321 0.350 3.790 632 2HG1 VAL 85 2HG1 VAL 85 -3.725 -0.456 5.325 633 3HG1 VAL 85 3HG1 VAL 85 -3.830 1.316 5.195 634 1HG2 VAL 85 1HG2 VAL 85 -2.713 1.519 7.027 635 2HG2 VAL 85 2HG2 VAL 85 -1.186 0.675 7.377 636 3HG2 VAL 85 3HG2 VAL 85 -1.165 2.227 6.506 637 H TRP 86 H TRP 86 0.128 -0.564 3.176 638 HA TRP 86 HA TRP 86 -1.567 -1.807 1.410 639 1HB TRP 86 1HB TRP 86 1.332 -1.146 1.463 640 2HB TRP 86 2HB TRP 86 0.792 -2.280 0.242 641 HD1 TRP 86 HD1 TRP 86 0.190 1.397 1.323 642 HE1 TRP 86 HE1 TRP 86 -0.745 2.828 -0.687 643 HE3 TRP 86 HE3 TRP 86 -0.378 -2.510 -1.881 644 HZ2 TRP 86 HZ2 TRP 86 -1.598 2.180 -3.332 645 HZ3 TRP 86 HZ3 TRP 86 -1.267 -2.025 -4.159 646 HH2 TRP 86 HH2 TRP 86 -1.869 0.225 -4.901 647 H GLN 87 H GLN 87 1.087 -3.150 3.466 648 HA GLN 87 HA GLN 87 1.005 -5.706 2.433 649 1HB GLN 87 1HB GLN 87 2.799 -4.777 3.914 650 2HB GLN 87 2HB GLN 87 1.697 -4.835 5.275 651 1HG GLN 87 1HG GLN 87 1.465 -7.415 4.361 652 2HG GLN 87 2HG GLN 87 3.114 -7.069 3.880 653 1HE2 GLN 87 1HE2 GLN 87 4.548 -6.116 5.523 654 2HE2 GLN 87 2HE2 GLN 87 4.412 -6.640 7.168 655 H ASP 88 H ASP 88 -0.832 -4.162 5.131 656 HA ASP 88 HA ASP 88 -2.046 -6.467 6.031 657 1HB ASP 88 1HB ASP 88 -2.036 -3.845 6.789 658 2HB ASP 88 2HB ASP 88 -3.618 -3.909 6.038 659 H LEU 89 H LEU 89 -2.837 -4.108 3.427 660 HA LEU 89 HA LEU 89 -5.435 -4.911 2.894 661 1HB LEU 89 1HB LEU 89 -3.257 -3.578 1.337 662 2HB LEU 89 2HB LEU 89 -4.711 -4.090 0.504 663 HG LEU 89 HG LEU 89 -4.881 -2.380 2.980 664 1HD1 LEU 89 1HD1 LEU 89 -5.164 -0.662 0.792 665 2HD1 LEU 89 2HD1 LEU 89 -3.831 -0.703 1.971 666 3HD1 LEU 89 3HD1 LEU 89 -3.700 -1.615 0.447 667 1HD2 LEU 89 1HD2 LEU 89 -6.797 -1.859 0.876 668 2HD2 LEU 89 2HD2 LEU 89 -6.780 -3.585 1.310 669 3HD2 LEU 89 3HD2 LEU 89 -7.062 -2.355 2.565 670 H VAL 90 H VAL 90 -2.306 -6.060 1.459 671 HA VAL 90 HA VAL 90 -3.532 -7.997 -0.163 672 HB VAL 90 HB VAL 90 -0.725 -7.759 0.937 673 1HG1 VAL 90 1HG1 VAL 90 -1.658 -9.392 -1.444 674 2HG1 VAL 90 2HG1 VAL 90 -0.017 -9.309 -0.760 675 3HG1 VAL 90 3HG1 VAL 90 -1.331 -10.070 0.169 676 1HG2 VAL 90 1HG2 VAL 90 -2.100 -6.698 -1.529 677 2HG2 VAL 90 2HG2 VAL 90 -1.073 -5.842 -0.353 678 3HG2 VAL 90 3HG2 VAL 90 -0.343 -6.982 -1.509 679 H GLN 91 H GLN 91 -1.721 -8.310 2.978 680 HA GLN 91 HA GLN 91 -1.929 -10.895 3.427 681 1HB GLN 91 1HB GLN 91 -2.194 -8.516 5.251 682 2HB GLN 91 2HB GLN 91 -2.490 -10.102 5.934 683 1HG GLN 91 1HG GLN 91 -0.149 -10.443 4.389 684 2HG GLN 91 2HG GLN 91 0.055 -8.869 5.133 685 1HE2 GLN 91 1HE2 GLN 91 1.266 -9.038 6.851 686 2HE2 GLN 91 2HE2 GLN 91 1.160 -10.232 8.101 687 H ASN 92 H ASN 92 -4.580 -8.530 4.207 688 HA ASN 92 HA ASN 92 -6.365 -10.831 4.297 689 1HB ASN 92 1HB ASN 92 -6.266 -8.201 5.766 690 2HB ASN 92 2HB ASN 92 -7.861 -8.815 5.381 691 1HD2 ASN 92 1HD2 ASN 92 -4.889 -9.351 7.116 692 2HD2 ASN 92 2HD2 ASN 92 -5.440 -10.599 8.184 693 H SER 93 H SER 93 -6.051 -10.404 1.763 694 HA SER 93 HA SER 93 -6.790 -8.277 0.404 695 1HB SER 93 1HB SER 93 -7.431 -9.726 -1.409 696 2HB SER 93 2HB SER 93 -6.181 -10.561 -0.508 697 HG SER 93 HG SER 93 -8.757 -11.349 -1.009 698 HA PRO 94 HA PRO 94 -10.901 -7.535 1.796 699 1HB PRO 94 1HB PRO 94 -11.231 -5.094 0.612 700 2HB PRO 94 2HB PRO 94 -10.478 -5.304 2.180 701 1HG PRO 94 1HG PRO 94 -9.207 -4.707 -0.421 702 2HG PRO 94 2HG PRO 94 -8.554 -4.504 1.193 703 1HD PRO 94 1HD PRO 94 -7.921 -6.596 -0.665 704 2HD PRO 94 2HD PRO 94 -7.357 -6.456 0.989 705 HA PRO 95 HA PRO 95 -13.462 -8.624 -1.406 706 1HB PRO 95 1HB PRO 95 -15.872 -7.507 -0.764 707 2HB PRO 95 2HB PRO 95 -15.274 -8.981 -0.030 708 1HG PRO 95 1HG PRO 95 -15.414 -6.263 1.123 709 2HG PRO 95 2HG PRO 95 -15.229 -7.797 1.949 710 1HD PRO 95 1HD PRO 95 -13.173 -5.863 1.441 711 2HD PRO 95 2HD PRO 95 -12.967 -7.447 2.163 712 H TRP 96 H TRP 96 -13.091 -5.269 -0.776 713 HA TRP 96 HA TRP 96 -14.315 -4.500 -3.258 714 1HB TRP 96 1HB TRP 96 -13.447 -2.253 -2.645 715 2HB TRP 96 2HB TRP 96 -14.521 -2.977 -1.465 716 HD1 TRP 96 HD1 TRP 96 -13.424 -3.641 0.936 717 HE1 TRP 96 HE1 TRP 96 -11.208 -2.986 2.211 718 HE3 TRP 96 HE3 TRP 96 -11.029 -1.732 -3.123 719 HZ2 TRP 96 HZ2 TRP 96 -8.758 -1.769 1.397 720 HZ3 TRP 96 HZ3 TRP 96 -8.728 -0.831 -2.797 721 HH2 TRP 96 HH2 TRP 96 -7.593 -0.829 -0.632 722 H ILE 97 H ILE 97 -11.432 -6.031 -2.336 723 HA ILE 97 HA ILE 97 -9.946 -4.815 -4.552 724 HB ILE 97 HB ILE 97 -9.198 -5.987 -1.937 725 1HG1 ILE 97 1HG1 ILE 97 -8.144 -3.751 -3.688 726 2HG1 ILE 97 2HG1 ILE 97 -9.115 -3.595 -2.238 727 1HG2 ILE 97 1HG2 ILE 97 -6.939 -6.562 -2.686 728 2HG2 ILE 97 2HG2 ILE 97 -8.168 -7.591 -3.461 729 3HG2 ILE 97 3HG2 ILE 97 -7.417 -6.260 -4.374 730 1HD1 ILE 97 1HD1 ILE 97 -7.257 -4.733 -0.937 731 2HD1 ILE 97 2HD1 ILE 97 -6.268 -4.678 -2.416 732 3HD1 ILE 97 3HD1 ILE 97 -6.796 -3.165 -1.642 733 H LYS 98 H LYS 98 -10.669 -8.016 -2.993 734 HA LYS 98 HA LYS 98 -10.734 -9.135 -5.696 735 1HB LYS 98 1HB LYS 98 -8.856 -9.800 -3.529 736 2HB LYS 98 2HB LYS 98 -9.685 -11.193 -4.193 737 1HG LYS 98 1HG LYS 98 -8.920 -9.477 -6.392 738 2HG LYS 98 2HG LYS 98 -7.522 -9.688 -5.356 739 1HD LYS 98 1HD LYS 98 -9.047 -12.195 -5.830 740 2HD LYS 98 2HD LYS 98 -8.366 -11.498 -7.287 741 1HE LYS 98 1HE LYS 98 -6.116 -11.399 -6.181 742 2HE LYS 98 2HE LYS 98 -6.800 -12.110 -4.733 743 1HZ LYS 98 1HZ LYS 98 -6.132 -13.967 -5.766 744 2HZ LYS 98 2HZ LYS 98 -7.583 -13.868 -6.508 745 3HZ LYS 98 3HZ LYS 98 -6.237 -13.348 -7.273 746 H SER 99 H SER 99 -11.393 -11.766 -5.000 747 HA SER 99 HA SER 99 -13.637 -11.502 -3.199 748 1HB SER 99 1HB SER 99 -14.676 -10.991 -5.322 749 2HB SER 99 2HB SER 99 -13.842 -12.305 -6.127 750 HG SER 99 HG SER 99 -15.449 -13.027 -3.904 751 H GLY 100 H GLY 100 -13.425 -13.186 -1.775 752 1HA GLY 100 1HA GLY 100 -13.507 -15.498 -1.348 753 2HA GLY 100 2HA GLY 100 -12.656 -15.815 -2.848 754 HA PRO 101 HA PRO 101 -9.736 -15.220 0.790 755 1HB PRO 101 1HB PRO 101 -9.789 -17.586 2.157 756 2HB PRO 101 2HB PRO 101 -10.661 -16.158 2.678 757 1HG PRO 101 1HG PRO 101 -11.713 -18.610 1.405 758 2HG PRO 101 2HG PRO 101 -12.580 -17.381 2.305 759 1HD PRO 101 1HD PRO 101 -12.534 -17.710 -0.544 760 2HD PRO 101 2HD PRO 101 -13.306 -16.415 0.349 761 H SER 102 H SER 102 -7.828 -16.955 1.515 762 HA SER 102 HA SER 102 -7.049 -17.971 -1.106 763 1HB SER 102 1HB SER 102 -5.519 -16.236 -0.607 764 2HB SER 102 2HB SER 102 -5.470 -16.631 1.100 765 HG SER 102 HG SER 102 -4.242 -18.518 0.632 766 H SER 103 H SER 103 -7.148 -20.184 -1.169 767 HA SER 103 HA SER 103 -6.709 -21.567 1.353 768 1HB SER 103 1HB SER 103 -7.961 -23.436 0.376 769 2HB SER 103 2HB SER 103 -8.901 -21.963 0.249 770 HG SER 103 HG SER 103 -7.252 -23.028 -1.882 771 H GLY 104 H GLY 104 -5.256 -23.405 1.416 772 1HA GLY 104 1HA GLY 104 -3.899 -24.431 -0.811 773 2HA GLY 104 2HA GLY 104 -2.930 -23.136 -0.136 Start of MODEL 4 1 1H GLY 0 1H GLY 0 -6.234 -12.626 -4.169 2 1HA GLY 0 1HA GLY 0 -5.587 -10.054 -5.433 3 2HA GLY 0 2HA GLY 0 -4.931 -10.405 -3.846 4 H SER 1 H SER 1 -5.062 -11.523 -7.261 5 HA SER 1 HA SER 1 -2.378 -12.505 -6.915 6 1HB SER 1 1HB SER 1 -4.720 -14.237 -7.780 7 2HB SER 1 2HB SER 1 -3.079 -14.624 -8.258 8 HG SER 1 HG SER 1 -4.206 -15.388 -6.036 9 H SER 2 H SER 2 -5.184 -12.453 -9.242 10 HA SER 2 HA SER 2 -3.367 -11.160 -11.120 11 1HB SER 2 1HB SER 2 -4.596 -13.708 -11.406 12 2HB SER 2 2HB SER 2 -5.495 -12.636 -12.462 13 HG SER 2 HG SER 2 -3.671 -12.189 -13.656 14 H GLY 3 H GLY 3 -4.783 -10.077 -12.992 15 1HA GLY 3 1HA GLY 3 -7.447 -9.341 -12.469 16 2HA GLY 3 2HA GLY 3 -6.387 -8.111 -11.809 17 H SER 4 H SER 4 -7.915 -7.129 -13.736 18 HA SER 4 HA SER 4 -6.052 -6.876 -15.934 19 1HB SER 4 1HB SER 4 -8.084 -8.555 -16.346 20 2HB SER 4 2HB SER 4 -8.993 -7.076 -16.588 21 HG SER 4 HG SER 4 -7.444 -8.321 -18.370 22 H SER 5 H SER 5 -9.340 -5.833 -14.754 23 HA SER 5 HA SER 5 -8.558 -3.118 -15.439 24 1HB SER 5 1HB SER 5 -11.039 -2.642 -15.198 25 2HB SER 5 2HB SER 5 -10.625 -3.744 -16.497 26 HG SER 5 HG SER 5 -11.206 -4.877 -13.945 27 H GLY 6 H GLY 6 -9.607 -1.399 -13.850 28 1HA GLY 6 1HA GLY 6 -9.834 -0.551 -11.774 29 2HA GLY 6 2HA GLY 6 -10.083 -2.173 -11.158 30 H THR 7 H THR 7 -8.154 0.452 -10.767 31 HA THR 7 HA THR 7 -5.665 -1.067 -10.475 32 HB THR 7 HB THR 7 -4.780 1.341 -10.130 33 HG1 THR 7 HG1 THR 7 -6.366 2.925 -10.330 34 1HG2 THR 7 1HG2 THR 7 -6.114 1.681 -12.704 35 2HG2 THR 7 2HG2 THR 7 -4.391 1.371 -12.381 36 3HG2 THR 7 3HG2 THR 7 -5.526 0.009 -12.546 37 HA PRO 8 HA PRO 8 -5.935 -1.161 -6.196 38 1HB PRO 8 1HB PRO 8 -3.318 -1.038 -5.420 39 2HB PRO 8 2HB PRO 8 -4.071 -2.502 -6.020 40 1HG PRO 8 1HG PRO 8 -2.177 -0.696 -7.394 41 2HG PRO 8 2HG PRO 8 -2.603 -2.348 -7.792 42 1HD PRO 8 1HD PRO 8 -3.514 0.026 -9.119 43 2HD PRO 8 2HD PRO 8 -4.029 -1.618 -9.441 44 H LEU 9 H LEU 9 -3.731 1.376 -7.255 45 HA LEU 9 HA LEU 9 -3.835 2.887 -4.957 46 1HB LEU 9 1HB LEU 9 -2.869 3.121 -7.615 47 2HB LEU 9 2HB LEU 9 -3.764 4.585 -7.260 48 HG LEU 9 HG LEU 9 -1.394 3.469 -5.746 49 1HD1 LEU 9 1HD1 LEU 9 -0.149 5.217 -6.590 50 2HD1 LEU 9 2HD1 LEU 9 -1.204 4.826 -7.969 51 3HD1 LEU 9 3HD1 LEU 9 -1.579 6.221 -6.928 52 1HD2 LEU 9 1HD2 LEU 9 -2.335 6.099 -4.893 53 2HD2 LEU 9 2HD2 LEU 9 -3.508 4.802 -4.566 54 3HD2 LEU 9 3HD2 LEU 9 -1.849 4.682 -3.932 55 H SER 10 H SER 10 -6.039 2.904 -7.826 56 HA SER 10 HA SER 10 -7.614 4.981 -6.857 57 1HB SER 10 1HB SER 10 -7.632 4.325 -9.216 58 2HB SER 10 2HB SER 10 -8.226 2.726 -8.815 59 HG SER 10 HG SER 10 -9.849 4.753 -7.789 60 H LEU 11 H LEU 11 -7.785 1.390 -6.562 61 HA LEU 11 HA LEU 11 -10.293 1.270 -5.349 62 1HB LEU 11 1HB LEU 11 -7.886 -0.542 -5.298 63 2HB LEU 11 2HB LEU 11 -9.380 -0.940 -4.472 64 HG LEU 11 HG LEU 11 -9.501 -0.229 -7.381 65 1HD1 LEU 11 1HD1 LEU 11 -7.656 -2.081 -6.615 66 2HD1 LEU 11 2HD1 LEU 11 -9.100 -3.098 -6.836 67 3HD1 LEU 11 3HD1 LEU 11 -8.514 -2.082 -8.175 68 1HD2 LEU 11 1HD2 LEU 11 -11.533 -1.205 -7.339 69 2HD2 LEU 11 2HD2 LEU 11 -11.014 -2.501 -6.234 70 3HD2 LEU 11 3HD2 LEU 11 -11.414 -0.889 -5.592 71 H THR 12 H THR 12 -6.960 1.514 -3.951 72 HA THR 12 HA THR 12 -7.854 1.519 -1.273 73 HB THR 12 HB THR 12 -5.446 2.539 -1.018 74 HG1 THR 12 HG1 THR 12 -4.313 2.294 -3.124 75 1HG2 THR 12 1HG2 THR 12 -5.880 -0.074 -2.560 76 2HG2 THR 12 2HG2 THR 12 -4.340 0.408 -1.808 77 3HG2 THR 12 3HG2 THR 12 -5.767 0.094 -0.792 78 H LEU 13 H LEU 13 -6.833 4.226 -3.461 79 HA LEU 13 HA LEU 13 -7.322 6.252 -1.655 80 1HB LEU 13 1HB LEU 13 -7.573 6.261 -4.666 81 2HB LEU 13 2HB LEU 13 -7.502 7.690 -3.655 82 HG LEU 13 HG LEU 13 -5.280 5.672 -3.521 83 1HD1 LEU 13 1HD1 LEU 13 -6.046 7.105 -5.902 84 2HD1 LEU 13 2HD1 LEU 13 -4.462 7.673 -5.322 85 3HD1 LEU 13 3HD1 LEU 13 -4.721 5.943 -5.650 86 1HD2 LEU 13 1HD2 LEU 13 -4.817 7.215 -1.926 87 2HD2 LEU 13 2HD2 LEU 13 -4.097 8.062 -3.316 88 3HD2 LEU 13 3HD2 LEU 13 -5.723 8.509 -2.747 89 H ASP 14 H ASP 14 -9.545 4.243 -3.532 90 HA ASP 14 HA ASP 14 -11.722 6.015 -3.261 91 1HB ASP 14 1HB ASP 14 -11.338 3.131 -4.084 92 2HB ASP 14 2HB ASP 14 -12.964 3.685 -3.734 93 H HIS 15 H HIS 15 -10.169 3.473 -1.343 94 HA HIS 15 HA HIS 15 -12.366 3.655 0.589 95 1HB HIS 15 1HB HIS 15 -10.724 1.336 -0.349 96 2HB HIS 15 2HB HIS 15 -11.234 1.362 1.328 97 HD1 HIS 15 HD1 HIS 15 -14.076 2.237 1.314 98 HD2 HIS 15 HD2 HIS 15 -12.505 -0.184 -1.731 99 HE1 HIS 15 HE1 HIS 15 -16.066 1.050 0.246 100 H TRP 16 H TRP 16 -10.408 5.658 0.491 101 HA TRP 16 HA TRP 16 -8.095 5.267 1.888 102 1HB TRP 16 1HB TRP 16 -8.719 7.340 0.756 103 2HB TRP 16 2HB TRP 16 -9.948 7.655 1.965 104 HD1 TRP 16 HD1 TRP 16 -9.086 9.486 3.602 105 HE1 TRP 16 HE1 TRP 16 -6.835 10.197 4.782 106 HE3 TRP 16 HE3 TRP 16 -6.218 5.859 1.487 107 HZ2 TRP 16 HZ2 TRP 16 -4.168 9.186 4.700 108 HZ3 TRP 16 HZ3 TRP 16 -3.800 5.791 2.090 109 HH2 TRP 16 HH2 TRP 16 -2.768 7.377 3.637 110 H SER 17 H SER 17 -11.485 5.459 3.017 111 HA SER 17 HA SER 17 -11.039 5.881 5.675 112 1HB SER 17 1HB SER 17 -13.239 5.488 4.139 113 2HB SER 17 2HB SER 17 -13.172 3.914 4.907 114 HG SER 17 HG SER 17 -14.453 5.561 6.076 115 H GLU 18 H GLU 18 -11.080 2.791 3.789 116 HA GLU 18 HA GLU 18 -10.750 1.140 5.998 117 1HB GLU 18 1HB GLU 18 -11.498 0.055 4.054 118 2HB GLU 18 2HB GLU 18 -10.330 0.856 3.023 119 1HG GLU 18 1HG GLU 18 -9.658 -1.478 3.298 120 2HG GLU 18 2HG GLU 18 -8.486 -0.459 4.111 121 H ILE 19 H ILE 19 -8.412 2.750 3.774 122 HA ILE 19 HA ILE 19 -6.126 1.485 4.776 123 HB ILE 19 HB ILE 19 -6.361 4.224 3.529 124 1HG1 ILE 19 1HG1 ILE 19 -7.526 2.720 2.087 125 2HG1 ILE 19 2HG1 ILE 19 -5.954 3.029 1.376 126 1HG2 ILE 19 1HG2 ILE 19 -4.045 2.283 3.413 127 2HG2 ILE 19 2HG2 ILE 19 -4.089 3.985 2.894 128 3HG2 ILE 19 3HG2 ILE 19 -4.179 3.580 4.625 129 1HD1 ILE 19 1HD1 ILE 19 -6.643 0.586 3.073 130 2HD1 ILE 19 2HD1 ILE 19 -6.553 0.610 1.296 131 3HD1 ILE 19 3HD1 ILE 19 -5.087 0.892 2.265 132 H ARG 20 H ARG 20 -7.874 4.494 5.720 133 HA ARG 20 HA ARG 20 -5.957 5.243 7.599 134 1HB ARG 20 1HB ARG 20 -8.920 5.926 7.299 135 2HB ARG 20 2HB ARG 20 -7.899 6.680 8.507 136 1HG ARG 20 1HG ARG 20 -6.325 7.060 6.311 137 2HG ARG 20 2HG ARG 20 -7.892 7.024 5.526 138 1HD ARG 20 1HD ARG 20 -7.683 8.698 8.014 139 2HD ARG 20 2HD ARG 20 -6.833 9.290 6.601 140 HE ARG 20 HE ARG 20 -9.563 8.454 5.987 141 1HH1 ARG 20 1HH1 ARG 20 -7.592 11.104 7.201 142 2HH1 ARG 20 2HH1 ARG 20 -8.742 12.326 6.771 143 1HH2 ARG 20 1HH2 ARG 20 -11.081 10.066 5.419 144 2HH2 ARG 20 2HH2 ARG 20 -10.740 11.731 5.750 145 H SER 21 H SER 21 -8.620 2.931 7.589 146 HA SER 21 HA SER 21 -8.985 2.869 10.376 147 1HB SER 21 1HB SER 21 -10.199 1.720 8.081 148 2HB SER 21 2HB SER 21 -9.659 0.359 9.044 149 HG SER 21 HG SER 21 -10.720 1.639 10.912 150 H ARG 22 H ARG 22 -7.182 0.809 7.995 151 HA ARG 22 HA ARG 22 -6.279 -1.026 9.830 152 1HB ARG 22 1HB ARG 22 -4.970 -0.038 7.246 153 2HB ARG 22 2HB ARG 22 -4.475 -1.485 8.101 154 1HG ARG 22 1HG ARG 22 -7.251 -1.811 7.860 155 2HG ARG 22 2HG ARG 22 -6.809 -1.054 6.343 156 1HD ARG 22 1HD ARG 22 -4.827 -2.867 6.394 157 2HD ARG 22 2HD ARG 22 -5.926 -3.719 7.461 158 HE ARG 22 HE ARG 22 -6.333 -3.174 4.589 159 1HH1 ARG 22 1HH1 ARG 22 -7.784 -4.230 7.615 160 2HH1 ARG 22 2HH1 ARG 22 -9.107 -5.042 6.846 161 1HH2 ARG 22 1HH2 ARG 22 -8.078 -4.244 3.573 162 2HH2 ARG 22 2HH2 ARG 22 -9.275 -5.050 4.531 163 H ALA 23 H ALA 23 -5.039 2.190 8.839 164 HA ALA 23 HA ALA 23 -2.529 1.944 10.110 165 1HB ALA 23 1HB ALA 23 -3.985 3.837 8.518 166 2HB ALA 23 2HB ALA 23 -3.380 4.673 9.968 167 3HB ALA 23 3HB ALA 23 -2.247 3.812 8.899 168 H HIS 24 H HIS 24 -5.799 2.998 11.127 169 HA HIS 24 HA HIS 24 -4.980 4.149 13.546 170 1HB HIS 24 1HB HIS 24 -7.294 4.051 12.122 171 2HB HIS 24 2HB HIS 24 -7.670 2.912 13.400 172 HD1 HIS 24 HD1 HIS 24 -9.357 4.434 14.604 173 HD2 HIS 24 HD2 HIS 24 -5.556 6.156 14.171 174 HE1 HIS 24 HE1 HIS 24 -9.353 6.531 16.057 175 H ASN 25 H ASN 25 -6.090 0.833 12.632 176 HA ASN 25 HA ASN 25 -6.058 -0.140 15.234 177 1HB ASN 25 1HB ASN 25 -6.746 -1.113 12.696 178 2HB ASN 25 2HB ASN 25 -5.357 -2.098 13.108 179 1HD2 ASN 25 1HD2 ASN 25 -8.619 -1.217 13.891 180 2HD2 ASN 25 2HD2 ASN 25 -8.962 -2.475 15.031 181 H LEU 26 H LEU 26 -3.583 0.445 12.762 182 HA LEU 26 HA LEU 26 -1.632 -1.221 14.111 183 1HB LEU 26 1HB LEU 26 -1.560 0.462 11.608 184 2HB LEU 26 2HB LEU 26 -0.152 -0.355 12.258 185 HG LEU 26 HG LEU 26 -2.707 -1.738 11.394 186 1HD1 LEU 26 1HD1 LEU 26 -1.325 -0.599 9.574 187 2HD1 LEU 26 2HD1 LEU 26 -0.066 -1.806 9.934 188 3HD1 LEU 26 3HD1 LEU 26 -1.671 -2.334 9.372 189 1HD2 LEU 26 1HD2 LEU 26 -1.677 -3.077 13.050 190 2HD2 LEU 26 2HD2 LEU 26 -1.219 -3.785 11.482 191 3HD2 LEU 26 3HD2 LEU 26 -0.052 -2.789 12.384 192 H SER 27 H SER 27 -2.964 1.892 14.440 193 HA SER 27 HA SER 27 -2.440 3.563 15.729 194 1HB SER 27 1HB SER 27 0.124 2.165 16.583 195 2HB SER 27 2HB SER 27 -0.767 3.389 17.466 196 HG SER 27 HG SER 27 -1.760 1.752 18.416 197 H VAL 28 H VAL 28 -1.866 3.839 13.070 198 HA VAL 28 HA VAL 28 0.548 5.476 13.157 199 HB VAL 28 HB VAL 28 1.100 4.616 10.853 200 1HG1 VAL 28 1HG1 VAL 28 1.920 2.298 11.929 201 2HG1 VAL 28 2HG1 VAL 28 2.657 3.865 12.341 202 3HG1 VAL 28 3HG1 VAL 28 1.442 3.141 13.422 203 1HG2 VAL 28 1HG2 VAL 28 0.235 2.549 10.074 204 2HG2 VAL 28 2HG2 VAL 28 -0.584 2.219 11.619 205 3HG2 VAL 28 3HG2 VAL 28 -1.180 3.516 10.556 206 H GLU 29 H GLU 29 0.513 7.238 11.611 207 HA GLU 29 HA GLU 29 -2.202 7.723 10.661 208 1HB GLU 29 1HB GLU 29 -1.527 9.288 12.435 209 2HB GLU 29 2HB GLU 29 -0.063 9.699 11.565 210 1HG GLU 29 1HG GLU 29 -2.186 10.099 9.708 211 2HG GLU 29 2HG GLU 29 -2.762 10.762 11.224 212 H ILE 30 H ILE 30 -2.515 8.150 8.485 213 HA ILE 30 HA ILE 30 -0.139 8.740 6.892 214 HB ILE 30 HB ILE 30 -0.801 7.093 5.218 215 1HG1 ILE 30 1HG1 ILE 30 -2.900 6.278 7.248 216 2HG1 ILE 30 2HG1 ILE 30 -3.180 6.938 5.649 217 1HG2 ILE 30 1HG2 ILE 30 0.717 6.672 7.358 218 2HG2 ILE 30 2HG2 ILE 30 -0.552 5.475 7.711 219 3HG2 ILE 30 3HG2 ILE 30 0.356 5.384 6.183 220 1HD1 ILE 30 1HD1 ILE 30 -2.728 4.947 4.591 221 2HD1 ILE 30 2HD1 ILE 30 -1.432 4.518 5.734 222 3HD1 ILE 30 3HD1 ILE 30 -3.135 4.263 6.183 223 H LYS 31 H LYS 31 -0.685 9.701 4.768 224 HA LYS 31 HA LYS 31 -3.317 11.001 4.899 225 1HB LYS 31 1HB LYS 31 -0.584 12.059 4.384 226 2HB LYS 31 2HB LYS 31 -1.870 12.705 3.386 227 1HG LYS 31 1HG LYS 31 -2.933 12.618 6.028 228 2HG LYS 31 2HG LYS 31 -1.297 13.221 6.203 229 1HD LYS 31 1HD LYS 31 -2.949 14.379 3.970 230 2HD LYS 31 2HD LYS 31 -3.385 14.839 5.604 231 1HE LYS 31 1HE LYS 31 -0.706 15.203 5.800 232 2HE LYS 31 2HE LYS 31 -0.864 15.432 4.070 233 1HZ LYS 31 1HZ LYS 31 -2.584 16.833 5.986 234 2HZ LYS 31 2HZ LYS 31 -1.156 17.445 5.483 235 3HZ LYS 31 3HZ LYS 31 -2.355 17.180 4.407 236 H LYS 32 H LYS 32 -4.080 11.741 2.635 237 HA LYS 32 HA LYS 32 -3.827 9.418 0.917 238 1HB LYS 32 1HB LYS 32 -6.065 10.089 1.387 239 2HB LYS 32 2HB LYS 32 -5.730 11.767 1.009 240 1HG LYS 32 1HG LYS 32 -5.225 11.088 -1.376 241 2HG LYS 32 2HG LYS 32 -5.676 9.443 -0.974 242 1HD LYS 32 1HD LYS 32 -7.651 11.603 -0.280 243 2HD LYS 32 2HD LYS 32 -7.444 11.236 -1.980 244 1HE LYS 32 1HE LYS 32 -8.318 9.085 -1.775 245 2HE LYS 32 2HE LYS 32 -7.743 8.885 -0.132 246 1HZ LYS 32 1HZ LYS 32 -9.472 10.810 0.237 247 2HZ LYS 32 2HZ LYS 32 -10.170 10.126 -1.071 248 3HZ LYS 32 3HZ LYS 32 -9.907 9.237 0.274 249 H GLY 33 H GLY 33 -2.926 12.855 1.104 250 1HA GLY 33 1HA GLY 33 -2.318 13.299 -1.591 251 2HA GLY 33 2HA GLY 33 -1.634 14.137 -0.212 252 HA PRO 34 HA PRO 34 2.019 11.761 -0.473 253 1HB PRO 34 1HB PRO 34 2.485 10.544 1.930 254 2HB PRO 34 2HB PRO 34 2.783 12.247 1.644 255 1HG PRO 34 1HG PRO 34 0.574 10.978 3.143 256 2HG PRO 34 2HG PRO 34 1.126 12.640 3.200 257 1HD PRO 34 1HD PRO 34 -1.205 11.651 1.853 258 2HD PRO 34 2HD PRO 34 -0.589 13.291 1.813 259 H TRP 35 H TRP 35 -0.462 9.720 0.930 260 HA TRP 35 HA TRP 35 0.635 7.273 0.447 261 1HB TRP 35 1HB TRP 35 -1.384 7.422 1.647 262 2HB TRP 35 2HB TRP 35 -2.207 8.259 0.346 263 HD1 TRP 35 HD1 TRP 35 -2.894 6.677 -1.847 264 HE1 TRP 35 HE1 TRP 35 -3.486 4.117 -2.091 265 HE3 TRP 35 HE3 TRP 35 -0.819 5.238 2.566 266 HZ2 TRP 35 HZ2 TRP 35 -3.030 1.829 -0.448 267 HZ3 TRP 35 HZ3 TRP 35 -0.935 2.822 3.171 268 HH2 TRP 35 HH2 TRP 35 -1.993 1.142 1.745 269 H ARG 36 H ARG 36 -1.038 9.536 -1.812 270 HA ARG 36 HA ARG 36 -0.945 7.719 -3.951 271 1HB ARG 36 1HB ARG 36 -2.621 9.444 -4.041 272 2HB ARG 36 2HB ARG 36 -1.454 10.712 -3.720 273 1HG ARG 36 1HG ARG 36 -0.515 10.575 -5.916 274 2HG ARG 36 2HG ARG 36 -1.212 8.995 -6.215 275 1HD ARG 36 1HD ARG 36 -3.530 10.115 -6.046 276 2HD ARG 36 2HD ARG 36 -2.697 11.657 -6.047 277 HE ARG 36 HE ARG 36 -2.347 11.418 -8.341 278 1HH1 ARG 36 1HH1 ARG 36 -2.957 8.240 -6.958 279 2HH1 ARG 36 2HH1 ARG 36 -2.971 7.435 -8.492 280 1HH2 ARG 36 1HH2 ARG 36 -2.364 10.356 -10.364 281 2HH2 ARG 36 2HH2 ARG 36 -2.631 8.646 -10.442 282 H THR 37 H THR 37 0.975 10.646 -2.992 283 HA THR 37 HA THR 37 2.682 10.714 -5.177 284 HB THR 37 HB THR 37 2.914 11.545 -2.249 285 HG1 THR 37 HG1 THR 37 2.601 13.614 -3.434 286 1HG2 THR 37 1HG2 THR 37 4.830 12.953 -2.930 287 2HG2 THR 37 2HG2 THR 37 5.233 11.242 -3.213 288 3HG2 THR 37 3HG2 THR 37 4.763 12.283 -4.578 289 H PHE 38 H PHE 38 3.129 9.002 -2.014 290 HA PHE 38 HA PHE 38 5.600 7.929 -2.629 291 1HB PHE 38 1HB PHE 38 3.187 7.039 -0.954 292 2HB PHE 38 2HB PHE 38 4.683 6.127 -0.926 293 HD1 PHE 38 HD1 PHE 38 6.629 8.426 -1.032 294 HD2 PHE 38 HD2 PHE 38 3.096 7.847 1.246 295 HE1 PHE 38 HE1 PHE 38 7.526 9.952 0.747 296 HE2 PHE 38 HE2 PHE 38 3.993 9.373 3.025 297 HZ PHE 38 HZ PHE 38 6.198 10.407 2.754 298 H CYS 39 H CYS 39 2.339 7.002 -3.676 299 HA CYS 39 HA CYS 39 3.426 4.535 -4.790 300 1HB CYS 39 1HB CYS 39 1.295 4.550 -3.361 301 2HB CYS 39 2HB CYS 39 0.508 5.336 -4.715 302 HG CYS 39 HG CYS 39 0.959 3.544 -6.494 303 H ALA 40 H ALA 40 3.571 7.613 -5.621 304 HA ALA 40 HA ALA 40 2.359 7.391 -8.264 305 1HB ALA 40 1HB ALA 40 2.692 9.770 -8.391 306 2HB ALA 40 2HB ALA 40 2.054 9.419 -6.767 307 3HB ALA 40 3HB ALA 40 3.788 9.753 -6.989 308 H SER 41 H SER 41 5.507 8.658 -6.951 309 HA SER 41 HA SER 41 6.848 7.006 -8.904 310 1HB SER 41 1HB SER 41 6.354 9.704 -9.442 311 2HB SER 41 2HB SER 41 7.982 9.731 -8.793 312 HG SER 41 HG SER 41 8.400 9.291 -10.889 313 H GLU 42 H GLU 42 6.598 6.757 -6.044 314 HA GLU 42 HA GLU 42 9.285 7.546 -5.223 315 1HB GLU 42 1HB GLU 42 7.125 8.439 -3.989 316 2HB GLU 42 2HB GLU 42 7.090 6.846 -3.260 317 1HG GLU 42 1HG GLU 42 8.441 7.914 -1.708 318 2HG GLU 42 2HG GLU 42 9.687 7.362 -2.809 319 H TRP 43 H TRP 43 6.710 5.013 -4.850 320 HA TRP 43 HA TRP 43 8.591 3.115 -3.825 321 1HB TRP 43 1HB TRP 43 5.698 2.955 -4.664 322 2HB TRP 43 2HB TRP 43 6.610 1.552 -4.143 323 HD1 TRP 43 HD1 TRP 43 8.157 3.538 -1.800 324 HE1 TRP 43 HE1 TRP 43 6.912 3.941 0.492 325 HE3 TRP 43 HE3 TRP 43 3.534 2.252 -3.482 326 HZ2 TRP 43 HZ2 TRP 43 4.195 3.683 1.325 327 HZ3 TRP 43 HZ3 TRP 43 1.639 2.356 -1.865 328 HH2 TRP 43 HH2 TRP 43 1.913 3.041 0.465 329 HA PRO 44 HA PRO 44 8.069 1.685 -8.333 330 1HB PRO 44 1HB PRO 44 7.066 3.440 -10.172 331 2HB PRO 44 2HB PRO 44 6.090 2.217 -9.382 332 1HG PRO 44 1HG PRO 44 6.171 5.130 -8.884 333 2HG PRO 44 2HG PRO 44 4.937 3.973 -8.429 334 1HD PRO 44 1HD PRO 44 6.922 5.129 -6.712 335 2HD PRO 44 2HD PRO 44 5.762 3.887 -6.285 336 H THR 45 H THR 45 9.519 4.265 -7.049 337 HA THR 45 HA THR 45 11.404 4.411 -9.311 338 HB THR 45 HB THR 45 11.857 6.745 -8.417 339 HG1 THR 45 HG1 THR 45 10.728 7.290 -6.561 340 1HG2 THR 45 1HG2 THR 45 9.849 7.784 -9.257 341 2HG2 THR 45 2HG2 THR 45 10.012 6.278 -10.192 342 3HG2 THR 45 3HG2 THR 45 8.857 6.367 -8.840 343 H PHE 46 H PHE 46 11.172 2.500 -6.932 344 HA PHE 46 HA PHE 46 13.654 3.233 -5.576 345 1HB PHE 46 1HB PHE 46 11.249 1.426 -5.103 346 2HB PHE 46 2HB PHE 46 12.750 1.007 -4.303 347 HD1 PHE 46 HD1 PHE 46 11.261 1.317 -2.241 348 HD2 PHE 46 HD2 PHE 46 12.411 4.526 -4.768 349 HE1 PHE 46 HE1 PHE 46 10.738 2.949 -0.407 350 HE2 PHE 46 HE2 PHE 46 11.888 6.158 -2.934 351 HZ PHE 46 HZ PHE 46 11.058 5.350 -0.776 352 H ASP 47 H ASP 47 12.775 1.674 -8.352 353 HA ASP 47 HA ASP 47 13.653 0.150 -9.618 354 1HB ASP 47 1HB ASP 47 16.031 0.617 -7.772 355 2HB ASP 47 2HB ASP 47 16.132 -0.470 -9.143 356 H VAL 48 H VAL 48 12.150 -1.530 -8.843 357 HA VAL 48 HA VAL 48 13.508 -3.743 -7.632 358 HB VAL 48 HB VAL 48 11.757 -3.976 -5.839 359 1HG1 VAL 48 1HG1 VAL 48 14.188 -3.046 -5.629 360 2HG1 VAL 48 2HG1 VAL 48 13.377 -1.487 -5.344 361 3HG1 VAL 48 3HG1 VAL 48 13.059 -2.867 -4.265 362 1HG2 VAL 48 1HG2 VAL 48 11.045 -1.267 -6.886 363 2HG2 VAL 48 2HG2 VAL 48 10.004 -2.558 -6.239 364 3HG2 VAL 48 3HG2 VAL 48 10.950 -1.538 -5.129 365 H GLY 49 H GLY 49 10.281 -2.304 -8.471 366 1HA GLY 49 1HA GLY 49 9.520 -3.479 -10.644 367 2HA GLY 49 2HA GLY 49 9.499 -4.898 -9.615 368 H TRP 50 H TRP 50 8.656 -1.482 -8.762 369 HA TRP 50 HA TRP 50 6.013 -2.480 -7.973 370 1HB TRP 50 1HB TRP 50 7.230 -1.569 -6.133 371 2HB TRP 50 2HB TRP 50 7.657 -0.130 -7.037 372 HD1 TRP 50 HD1 TRP 50 5.489 1.592 -7.593 373 HE1 TRP 50 HE1 TRP 50 3.322 2.187 -6.210 374 HE3 TRP 50 HE3 TRP 50 5.639 -2.512 -4.596 375 HZ2 TRP 50 HZ2 TRP 50 1.945 0.903 -4.065 376 HZ3 TRP 50 HZ3 TRP 50 3.846 -2.766 -2.883 377 HH2 TRP 50 HH2 TRP 50 2.043 -1.142 -2.592 378 HA PRO 51 HA PRO 51 4.607 -0.182 -11.422 379 1HB PRO 51 1HB PRO 51 1.941 -0.729 -11.173 380 2HB PRO 51 2HB PRO 51 3.068 -1.802 -11.979 381 1HG PRO 51 1HG PRO 51 1.831 -2.080 -9.308 382 2HG PRO 51 2HG PRO 51 2.602 -3.307 -10.294 383 1HD PRO 51 1HD PRO 51 3.718 -1.998 -7.998 384 2HD PRO 51 2HD PRO 51 4.529 -3.139 -9.052 385 HA PRO 52 HA PRO 52 3.269 3.578 -9.987 386 1HB PRO 52 1HB PRO 52 1.949 4.661 -12.121 387 2HB PRO 52 2HB PRO 52 3.696 4.645 -11.983 388 1HG PRO 52 1HG PRO 52 1.956 2.969 -13.686 389 2HG PRO 52 2HG PRO 52 3.676 3.270 -13.834 390 1HD PRO 52 1HD PRO 52 2.431 0.900 -12.804 391 2HD PRO 52 2HD PRO 52 4.148 1.248 -12.845 392 H GLU 53 H GLU 53 0.761 1.666 -11.495 393 HA GLU 53 HA GLU 53 -1.280 3.122 -10.190 394 1HB GLU 53 1HB GLU 53 -1.321 0.400 -11.567 395 2HB GLU 53 2HB GLU 53 -2.751 1.264 -11.037 396 1HG GLU 53 1HG GLU 53 -2.758 2.323 -13.044 397 2HG GLU 53 2HG GLU 53 -1.324 3.186 -12.525 398 H GLY 54 H GLY 54 1.013 0.805 -9.155 399 1HA GLY 54 1HA GLY 54 1.231 0.184 -6.921 400 2HA GLY 54 2HA GLY 54 -0.492 0.392 -6.675 401 H THR 55 H THR 55 0.417 -1.895 -5.645 402 HA THR 55 HA THR 55 -0.865 -3.884 -7.258 403 HB THR 55 HB THR 55 1.522 -3.706 -8.198 404 HG1 THR 55 HG1 THR 55 0.735 -6.104 -6.696 405 1HG2 THR 55 1HG2 THR 55 2.930 -3.394 -6.271 406 2HG2 THR 55 2HG2 THR 55 2.087 -4.669 -5.358 407 3HG2 THR 55 3HG2 THR 55 3.152 -5.103 -6.717 408 H PHE 56 H PHE 56 -1.336 -5.823 -6.080 409 HA PHE 56 HA PHE 56 -1.069 -5.371 -3.196 410 1HB PHE 56 1HB PHE 56 -3.082 -6.735 -5.056 411 2HB PHE 56 2HB PHE 56 -3.065 -7.140 -3.351 412 HD1 PHE 56 HD1 PHE 56 -2.951 -4.875 -1.811 413 HD2 PHE 56 HD2 PHE 56 -4.666 -5.196 -5.679 414 HE1 PHE 56 HE1 PHE 56 -4.415 -2.895 -1.326 415 HE2 PHE 56 HE2 PHE 56 -6.130 -3.216 -5.195 416 HZ PHE 56 HZ PHE 56 -5.987 -2.089 -3.024 417 H ASP 57 H ASP 57 1.134 -6.500 -4.634 418 HA ASP 57 HA ASP 57 0.864 -9.328 -4.025 419 1HB ASP 57 1HB ASP 57 1.779 -8.290 -6.294 420 2HB ASP 57 2HB ASP 57 3.261 -8.065 -5.385 421 H LEU 58 H LEU 58 1.557 -9.776 -1.923 422 HA LEU 58 HA LEU 58 2.935 -8.128 -0.273 423 1HB LEU 58 1HB LEU 58 1.854 -10.622 -0.128 424 2HB LEU 58 2HB LEU 58 3.559 -10.991 0.031 425 HG LEU 58 HG LEU 58 3.518 -9.086 1.846 426 1HD1 LEU 58 1HD1 LEU 58 1.414 -8.911 3.051 427 2HD1 LEU 58 2HD1 LEU 58 1.216 -8.362 1.370 428 3HD1 LEU 58 3HD1 LEU 58 0.617 -9.965 1.858 429 1HD2 LEU 58 1HD2 LEU 58 2.412 -11.873 2.275 430 2HD2 LEU 58 2HD2 LEU 58 4.116 -11.362 2.342 431 3HD2 LEU 58 3HD2 LEU 58 2.965 -10.787 3.572 432 H THR 59 H THR 59 4.243 -10.402 -2.725 433 HA THR 59 HA THR 59 6.922 -10.246 -1.982 434 HB THR 59 HB THR 59 5.441 -10.747 -4.604 435 HG1 THR 59 HG1 THR 59 6.009 -12.905 -3.918 436 1HG2 THR 59 1HG2 THR 59 7.497 -11.545 -5.580 437 2HG2 THR 59 2HG2 THR 59 7.888 -9.930 -4.943 438 3HG2 THR 59 3HG2 THR 59 8.372 -11.384 -4.039 439 H VAL 60 H VAL 60 5.060 -8.208 -4.327 440 HA VAL 60 HA VAL 60 7.286 -6.565 -4.885 441 HB VAL 60 HB VAL 60 4.310 -6.159 -5.237 442 1HG1 VAL 60 1HG1 VAL 60 5.551 -4.642 -7.170 443 2HG1 VAL 60 2HG1 VAL 60 4.865 -4.018 -5.650 444 3HG1 VAL 60 3HG1 VAL 60 6.603 -4.389 -5.757 445 1HG2 VAL 60 1HG2 VAL 60 5.110 -8.093 -6.460 446 2HG2 VAL 60 2HG2 VAL 60 4.790 -6.766 -7.603 447 3HG2 VAL 60 3HG2 VAL 60 6.463 -7.154 -7.135 448 H ILE 61 H ILE 61 4.794 -6.645 -2.360 449 HA ILE 61 HA ILE 61 5.181 -3.968 -1.516 450 HB ILE 61 HB ILE 61 3.907 -6.406 -0.298 451 1HG1 ILE 61 1HG1 ILE 61 2.752 -3.808 -1.354 452 2HG1 ILE 61 2HG1 ILE 61 2.779 -5.332 -2.219 453 1HG2 ILE 61 1HG2 ILE 61 3.102 -5.048 1.534 454 2HG2 ILE 61 2HG2 ILE 61 4.882 -5.029 1.510 455 3HG2 ILE 61 3HG2 ILE 61 3.968 -3.625 0.905 456 1HD1 ILE 61 1HD1 ILE 61 1.569 -6.313 -0.108 457 2HD1 ILE 61 2HD1 ILE 61 1.227 -4.610 0.284 458 3HD1 ILE 61 3HD1 ILE 61 0.628 -5.310 -1.239 459 H PHE 62 H PHE 62 6.337 -7.177 -0.270 460 HA PHE 62 HA PHE 62 7.843 -6.217 1.810 461 1HB PHE 62 1HB PHE 62 7.661 -8.595 0.011 462 2HB PHE 62 2HB PHE 62 9.267 -8.388 0.683 463 HD1 PHE 62 HD1 PHE 62 5.704 -8.377 1.808 464 HD2 PHE 62 HD2 PHE 62 9.725 -9.388 2.709 465 HE1 PHE 62 HE1 PHE 62 4.952 -9.467 3.941 466 HE2 PHE 62 HE2 PHE 62 8.974 -10.479 4.841 467 HZ PHE 62 HZ PHE 62 6.596 -10.505 5.431 468 H GLU 63 H GLU 63 8.432 -6.023 -1.661 469 HA GLU 63 HA GLU 63 11.206 -5.767 -1.523 470 1HB GLU 63 1HB GLU 63 9.103 -4.990 -3.563 471 2HB GLU 63 2HB GLU 63 10.780 -4.545 -3.812 472 1HG GLU 63 1HG GLU 63 11.035 -7.209 -3.101 473 2HG GLU 63 2HG GLU 63 9.494 -7.229 -3.935 474 H VAL 64 H VAL 64 8.538 -3.309 -1.727 475 HA VAL 64 HA VAL 64 10.305 -1.113 -1.524 476 HB VAL 64 HB VAL 64 7.341 -1.536 -1.282 477 1HG1 VAL 64 1HG1 VAL 64 8.920 0.904 -0.524 478 2HG1 VAL 64 2HG1 VAL 64 7.333 1.095 -1.306 479 3HG1 VAL 64 3HG1 VAL 64 7.466 0.207 0.231 480 1HG2 VAL 64 1HG2 VAL 64 7.244 -0.268 -3.330 481 2HG2 VAL 64 2HG2 VAL 64 8.974 0.137 -3.218 482 3HG2 VAL 64 3HG2 VAL 64 8.470 -1.544 -3.516 483 H LYS 65 H LYS 65 8.296 -2.979 0.825 484 HA LYS 65 HA LYS 65 8.707 -1.374 3.028 485 1HB LYS 65 1HB LYS 65 7.070 -3.138 3.021 486 2HB LYS 65 2HB LYS 65 8.298 -4.365 2.784 487 1HG LYS 65 1HG LYS 65 9.311 -3.267 5.032 488 2HG LYS 65 2HG LYS 65 7.641 -2.788 5.266 489 1HD LYS 65 1HD LYS 65 6.883 -4.990 5.478 490 2HD LYS 65 2HD LYS 65 8.152 -5.644 4.462 491 1HE LYS 65 1HE LYS 65 9.540 -4.535 6.658 492 2HE LYS 65 2HE LYS 65 8.116 -5.261 7.378 493 1HZ LYS 65 1HZ LYS 65 9.606 -6.980 7.256 494 2HZ LYS 65 2HZ LYS 65 8.719 -7.237 5.909 495 3HZ LYS 65 3HZ LYS 65 10.197 -6.552 5.795 496 H ALA 66 H ALA 66 10.824 -3.814 1.486 497 HA ALA 66 HA ALA 66 12.676 -4.066 3.541 498 1HB ALA 66 1HB ALA 66 13.999 -4.196 1.010 499 2HB ALA 66 2HB ALA 66 13.424 -5.542 2.024 500 3HB ALA 66 3HB ALA 66 12.353 -4.837 0.789 501 H ILE 67 H ILE 67 12.653 -1.832 0.673 502 HA ILE 67 HA ILE 67 14.970 -0.464 1.508 503 HB ILE 67 HB ILE 67 12.761 0.246 -0.422 504 1HG1 ILE 67 1HG1 ILE 67 15.291 -0.273 -1.649 505 2HG1 ILE 67 2HG1 ILE 67 14.948 -1.592 -0.547 506 1HG2 ILE 67 1HG2 ILE 67 15.452 1.599 -0.085 507 2HG2 ILE 67 2HG2 ILE 67 14.201 1.983 -1.292 508 3HG2 ILE 67 3HG2 ILE 67 13.889 2.272 0.436 509 1HD1 ILE 67 1HD1 ILE 67 13.734 -2.388 -2.329 510 2HD1 ILE 67 2HD1 ILE 67 12.479 -1.307 -1.678 511 3HD1 ILE 67 3HD1 ILE 67 13.506 -0.766 -3.027 512 H VAL 68 H VAL 68 11.433 0.102 1.932 513 HA VAL 68 HA VAL 68 11.630 2.607 3.106 514 HB VAL 68 HB VAL 68 9.653 0.346 3.257 515 1HG1 VAL 68 1HG1 VAL 68 8.339 2.613 4.229 516 2HG1 VAL 68 2HG1 VAL 68 8.805 1.166 5.156 517 3HG1 VAL 68 3HG1 VAL 68 9.885 2.581 5.111 518 1HG2 VAL 68 1HG2 VAL 68 8.977 3.065 2.241 519 2HG2 VAL 68 2HG2 VAL 68 10.113 2.097 1.271 520 3HG2 VAL 68 3HG2 VAL 68 8.493 1.460 1.642 521 H PHE 69 H PHE 69 11.537 -0.686 4.634 522 HA PHE 69 HA PHE 69 12.192 0.509 7.181 523 1HB PHE 69 1HB PHE 69 11.675 -2.315 6.087 524 2HB PHE 69 2HB PHE 69 12.108 -2.049 7.764 525 HD1 PHE 69 HD1 PHE 69 9.651 -0.706 5.283 526 HD2 PHE 69 HD2 PHE 69 10.373 -1.970 9.269 527 HE1 PHE 69 HE1 PHE 69 7.236 -0.316 5.844 528 HE2 PHE 69 HE2 PHE 69 7.958 -1.580 9.830 529 HZ PHE 69 HZ PHE 69 6.418 -0.758 8.111 530 H GLN 70 H GLN 70 14.222 0.993 5.262 531 HA GLN 70 HA GLN 70 16.211 -1.035 5.717 532 1HB GLN 70 1HB GLN 70 17.519 0.103 4.064 533 2HB GLN 70 2HB GLN 70 15.866 0.142 3.482 534 1HG GLN 70 1HG GLN 70 15.578 2.451 4.254 535 2HG GLN 70 2HG GLN 70 17.129 2.424 5.068 536 1HE2 GLN 70 1HE2 GLN 70 15.563 2.097 1.913 537 2HE2 GLN 70 2HE2 GLN 70 16.855 2.728 0.947 538 H ASP 71 H ASP 71 18.590 0.380 5.911 539 HA ASP 71 HA ASP 71 18.239 1.590 8.526 540 1HB ASP 71 1HB ASP 71 19.778 -0.339 8.401 541 2HB ASP 71 2HB ASP 71 20.687 0.431 7.116 542 H GLY 72 H GLY 72 19.760 3.507 9.005 543 1HA GLY 72 1HA GLY 72 20.976 5.352 8.383 544 2HA GLY 72 2HA GLY 72 20.809 4.921 6.693 545 HA PRO 73 HA PRO 73 17.866 8.294 7.550 546 1HB PRO 73 1HB PRO 73 18.834 10.122 5.764 547 2HB PRO 73 2HB PRO 73 19.281 10.108 7.458 548 1HG PRO 73 1HG PRO 73 20.861 9.236 5.117 549 2HG PRO 73 2HG PRO 73 21.417 9.628 6.732 550 1HD PRO 73 1HD PRO 73 21.094 7.005 5.618 551 2HD PRO 73 2HD PRO 73 21.538 7.396 7.267 552 H GLY 74 H GLY 74 18.642 6.215 5.133 553 1HA GLY 74 1HA GLY 74 16.927 7.220 3.083 554 2HA GLY 74 2HA GLY 74 17.646 5.626 3.192 555 H SER 75 H SER 75 16.571 5.063 5.927 556 HA SER 75 HA SER 75 14.392 3.659 5.318 557 1HB SER 75 1HB SER 75 13.768 3.892 7.788 558 2HB SER 75 2HB SER 75 15.404 3.358 7.460 559 HG SER 75 HG SER 75 15.736 5.927 7.537 560 H HIS 76 H HIS 76 12.058 3.947 5.536 561 HA HIS 76 HA HIS 76 11.282 6.770 5.396 562 1HB HIS 76 1HB HIS 76 9.991 4.416 3.990 563 2HB HIS 76 2HB HIS 76 9.478 6.089 3.887 564 HD1 HIS 76 HD1 HIS 76 12.013 7.611 3.292 565 HD2 HIS 76 HD2 HIS 76 11.193 3.856 1.611 566 HE1 HIS 76 HE1 HIS 76 13.423 7.454 1.171 567 HA PRO 77 HA PRO 77 9.205 5.205 9.015 568 1HB PRO 77 1HB PRO 77 9.310 7.523 10.459 569 2HB PRO 77 2HB PRO 77 10.549 6.287 10.539 570 1HG PRO 77 1HG PRO 77 10.632 8.908 9.175 571 2HG PRO 77 2HG PRO 77 11.965 7.863 9.627 572 1HD PRO 77 1HD PRO 77 10.866 8.204 7.000 573 2HD PRO 77 2HD PRO 77 12.119 7.075 7.473 574 H ASP 78 H ASP 78 8.571 7.813 6.907 575 HA ASP 78 HA ASP 78 5.989 8.266 8.026 576 1HB ASP 78 1HB ASP 78 7.728 9.733 6.440 577 2HB ASP 78 2HB ASP 78 6.553 9.199 5.254 578 H GLN 79 H GLN 79 7.539 6.536 5.284 579 HA GLN 79 HA GLN 79 4.977 5.824 4.194 580 1HB GLN 79 1HB GLN 79 7.822 5.122 3.347 581 2HB GLN 79 2HB GLN 79 6.388 4.617 2.474 582 1HG GLN 79 1HG GLN 79 6.687 6.572 1.317 583 2HG GLN 79 2HG GLN 79 5.878 7.302 2.690 584 1HE2 GLN 79 1HE2 GLN 79 8.986 6.526 1.248 585 2HE2 GLN 79 2HE2 GLN 79 9.936 7.721 2.066 586 H GLN 80 H GLN 80 7.240 4.651 6.533 587 HA GLN 80 HA GLN 80 7.172 1.968 6.233 588 1HB GLN 80 1HB GLN 80 7.543 3.863 8.469 589 2HB GLN 80 2HB GLN 80 6.954 2.299 8.995 590 1HG GLN 80 1HG GLN 80 8.846 1.148 8.161 591 2HG GLN 80 2HG GLN 80 9.238 2.412 7.012 592 1HE2 GLN 80 1HE2 GLN 80 11.309 2.720 7.637 593 2HE2 GLN 80 2HE2 GLN 80 11.794 3.397 9.156 594 HA PRO 81 HA PRO 81 2.973 1.945 8.456 595 1HB PRO 81 1HB PRO 81 1.582 4.281 8.734 596 2HB PRO 81 2HB PRO 81 2.593 3.612 9.999 597 1HG PRO 81 1HG PRO 81 3.132 5.907 8.215 598 2HG PRO 81 2HG PRO 81 3.906 5.490 9.731 599 1HD PRO 81 1HD PRO 81 4.972 5.103 7.097 600 2HD PRO 81 2HD PRO 81 5.693 4.581 8.607 601 H TYR 82 H TYR 82 3.452 4.049 5.767 602 HA TYR 82 HA TYR 82 0.867 3.695 4.674 603 1HB TYR 82 1HB TYR 82 3.674 4.491 3.729 604 2HB TYR 82 2HB TYR 82 2.361 4.405 2.572 605 HD1 TYR 82 HD1 TYR 82 1.660 6.530 1.975 606 HD2 TYR 82 HD2 TYR 82 2.616 5.756 6.072 607 HE1 TYR 82 HE1 TYR 82 0.971 8.899 2.591 608 HE2 TYR 82 HE2 TYR 82 1.923 8.126 6.675 609 HH TYR 82 HH TYR 82 1.858 10.457 5.020 610 H ILE 83 H ILE 83 4.090 2.165 4.000 611 HA ILE 83 HA ILE 83 3.027 0.432 2.035 612 HB ILE 83 HB ILE 83 5.370 1.192 2.155 613 1HG1 ILE 83 1HG1 ILE 83 6.384 -1.033 1.622 614 2HG1 ILE 83 2HG1 ILE 83 4.917 -1.805 2.189 615 1HG2 ILE 83 1HG2 ILE 83 5.276 0.564 4.803 616 2HG2 ILE 83 2HG2 ILE 83 6.148 -0.841 4.144 617 3HG2 ILE 83 3HG2 ILE 83 6.770 0.804 3.866 618 1HD1 ILE 83 1HD1 ILE 83 3.589 -0.843 0.448 619 2HD1 ILE 83 2HD1 ILE 83 4.838 0.363 0.057 620 3HD1 ILE 83 3HD1 ILE 83 5.097 -1.350 -0.351 621 H THR 84 H THR 84 3.427 0.310 5.574 622 HA THR 84 HA THR 84 3.136 -2.433 5.936 623 HB THR 84 HB THR 84 2.675 0.089 7.542 624 HG1 THR 84 HG1 THR 84 4.342 -1.162 8.760 625 1HG2 THR 84 1HG2 THR 84 2.239 -2.704 8.688 626 2HG2 THR 84 2HG2 THR 84 1.940 -1.136 9.475 627 3HG2 THR 84 3HG2 THR 84 0.869 -1.694 8.168 628 H VAL 85 H VAL 85 0.629 0.151 5.650 629 HA VAL 85 HA VAL 85 -1.556 -1.450 6.176 630 HB VAL 85 HB VAL 85 -1.105 1.021 4.523 631 1HG1 VAL 85 1HG1 VAL 85 -3.431 -0.760 4.441 632 2HG1 VAL 85 2HG1 VAL 85 -3.845 0.905 4.918 633 3HG1 VAL 85 3HG1 VAL 85 -2.992 0.604 3.385 634 1HG2 VAL 85 1HG2 VAL 85 -2.938 0.944 6.864 635 2HG2 VAL 85 2HG2 VAL 85 -1.207 0.708 7.201 636 3HG2 VAL 85 3HG2 VAL 85 -1.759 2.180 6.366 637 H TRP 86 H TRP 86 0.194 -0.826 3.074 638 HA TRP 86 HA TRP 86 -1.486 -2.170 1.372 639 1HB TRP 86 1HB TRP 86 1.476 -1.688 1.397 640 2HB TRP 86 2HB TRP 86 0.753 -2.675 0.142 641 HD1 TRP 86 HD1 TRP 86 1.035 0.968 1.257 642 HE1 TRP 86 HE1 TRP 86 0.037 2.622 -0.541 643 HE3 TRP 86 HE3 TRP 86 -1.084 -2.631 -1.644 644 HZ2 TRP 86 HZ2 TRP 86 -1.491 2.248 -2.922 645 HZ3 TRP 86 HZ3 TRP 86 -2.311 -1.901 -3.688 646 HH2 TRP 86 HH2 TRP 86 -2.532 0.443 -4.343 647 H GLN 87 H GLN 87 1.272 -3.429 3.371 648 HA GLN 87 HA GLN 87 1.123 -6.027 2.538 649 1HB GLN 87 1HB GLN 87 2.876 -4.883 4.032 650 2HB GLN 87 2HB GLN 87 1.792 -5.163 5.380 651 1HG GLN 87 1HG GLN 87 1.773 -7.663 4.574 652 2HG GLN 87 2HG GLN 87 3.188 -7.225 3.638 653 1HE2 GLN 87 1HE2 GLN 87 2.044 -8.296 6.576 654 2HE2 GLN 87 2HE2 GLN 87 3.439 -8.044 7.573 655 H ASP 88 H ASP 88 -0.520 -4.448 5.367 656 HA ASP 88 HA ASP 88 -1.786 -6.674 6.300 657 1HB ASP 88 1HB ASP 88 -1.685 -4.131 7.109 658 2HB ASP 88 2HB ASP 88 -3.207 -4.002 6.251 659 H LEU 89 H LEU 89 -2.713 -4.297 3.738 660 HA LEU 89 HA LEU 89 -5.307 -5.128 3.296 661 1HB LEU 89 1HB LEU 89 -3.199 -3.770 1.677 662 2HB LEU 89 2HB LEU 89 -4.649 -4.325 0.865 663 HG LEU 89 HG LEU 89 -4.901 -2.646 3.343 664 1HD1 LEU 89 1HD1 LEU 89 -4.053 -0.801 2.450 665 2HD1 LEU 89 2HD1 LEU 89 -3.420 -1.791 1.113 666 3HD1 LEU 89 3HD1 LEU 89 -5.014 -1.013 0.967 667 1HD2 LEU 89 1HD2 LEU 89 -6.743 -3.852 1.724 668 2HD2 LEU 89 2HD2 LEU 89 -7.054 -2.437 2.759 669 3HD2 LEU 89 3HD2 LEU 89 -6.673 -2.212 1.035 670 H VAL 90 H VAL 90 -2.253 -6.241 1.673 671 HA VAL 90 HA VAL 90 -3.372 -8.098 0.009 672 HB VAL 90 HB VAL 90 -0.749 -8.184 1.512 673 1HG1 VAL 90 1HG1 VAL 90 -1.550 -10.378 0.477 674 2HG1 VAL 90 2HG1 VAL 90 -1.370 -9.577 -1.102 675 3HG1 VAL 90 3HG1 VAL 90 0.045 -9.783 -0.042 676 1HG2 VAL 90 1HG2 VAL 90 -0.676 -6.204 0.296 677 2HG2 VAL 90 2HG2 VAL 90 0.042 -7.372 -0.841 678 3HG2 VAL 90 3HG2 VAL 90 -1.652 -6.863 -1.039 679 H GLN 91 H GLN 91 -2.138 -8.641 3.386 680 HA GLN 91 HA GLN 91 -2.746 -11.254 3.597 681 1HB GLN 91 1HB GLN 91 -2.707 -8.977 5.576 682 2HB GLN 91 2HB GLN 91 -3.263 -10.546 6.120 683 1HG GLN 91 1HG GLN 91 -1.033 -11.379 4.856 684 2HG GLN 91 2HG GLN 91 -0.525 -9.729 5.159 685 1HE2 GLN 91 1HE2 GLN 91 0.743 -9.660 6.841 686 2HE2 GLN 91 2HE2 GLN 91 0.522 -10.463 8.361 687 H ASN 92 H ASN 92 -4.926 -8.598 4.814 688 HA ASN 92 HA ASN 92 -7.104 -10.470 4.710 689 1HB ASN 92 1HB ASN 92 -6.618 -7.739 5.899 690 2HB ASN 92 2HB ASN 92 -8.279 -8.150 5.520 691 1HD2 ASN 92 1HD2 ASN 92 -5.543 -8.741 7.530 692 2HD2 ASN 92 2HD2 ASN 92 -6.273 -9.826 8.666 693 H SER 93 H SER 93 -6.874 -10.505 2.215 694 HA SER 93 HA SER 93 -7.237 -8.261 0.683 695 1HB SER 93 1HB SER 93 -7.567 -9.746 -1.133 696 2HB SER 93 2HB SER 93 -6.580 -10.662 -0.012 697 HG SER 93 HG SER 93 -8.395 -11.850 0.660 698 HA PRO 94 HA PRO 94 -11.471 -7.563 1.751 699 1HB PRO 94 1HB PRO 94 -11.641 -5.021 0.763 700 2HB PRO 94 2HB PRO 94 -11.088 -5.383 2.385 701 1HG PRO 94 1HG PRO 94 -9.503 -4.576 0.024 702 2HG PRO 94 2HG PRO 94 -9.052 -4.529 1.717 703 1HD PRO 94 1HD PRO 94 -8.206 -6.456 -0.232 704 2HD PRO 94 2HD PRO 94 -7.850 -6.474 1.484 705 HA PRO 95 HA PRO 95 -13.620 -8.327 -1.826 706 1HB PRO 95 1HB PRO 95 -16.092 -7.253 -1.374 707 2HB PRO 95 2HB PRO 95 -15.584 -8.796 -0.719 708 1HG PRO 95 1HG PRO 95 -15.868 -6.198 0.663 709 2HG PRO 95 2HG PRO 95 -15.780 -7.806 1.355 710 1HD PRO 95 1HD PRO 95 -13.682 -5.851 1.285 711 2HD PRO 95 2HD PRO 95 -13.561 -7.498 1.872 712 H TRP 96 H TRP 96 -13.290 -5.061 -0.848 713 HA TRP 96 HA TRP 96 -14.238 -4.030 -3.355 714 1HB TRP 96 1HB TRP 96 -13.538 -1.875 -2.468 715 2HB TRP 96 2HB TRP 96 -14.559 -2.747 -1.341 716 HD1 TRP 96 HD1 TRP 96 -13.465 -3.393 1.029 717 HE1 TRP 96 HE1 TRP 96 -11.237 -2.798 2.312 718 HE3 TRP 96 HE3 TRP 96 -11.057 -1.422 -2.992 719 HZ2 TRP 96 HZ2 TRP 96 -8.773 -1.597 1.519 720 HZ3 TRP 96 HZ3 TRP 96 -8.742 -0.560 -2.652 721 HH2 TRP 96 HH2 TRP 96 -7.601 -0.624 -0.491 722 H ILE 97 H ILE 97 -11.463 -5.675 -2.256 723 HA ILE 97 HA ILE 97 -9.758 -4.318 -4.217 724 HB ILE 97 HB ILE 97 -9.235 -5.834 -1.695 725 1HG1 ILE 97 1HG1 ILE 97 -8.171 -3.243 -2.857 726 2HG1 ILE 97 2HG1 ILE 97 -9.401 -3.394 -1.617 727 1HG2 ILE 97 1HG2 ILE 97 -7.110 -5.382 -3.800 728 2HG2 ILE 97 2HG2 ILE 97 -6.948 -6.220 -2.238 729 3HG2 ILE 97 3HG2 ILE 97 -7.931 -6.939 -3.535 730 1HD1 ILE 97 1HD1 ILE 97 -7.813 -3.548 -0.014 731 2HD1 ILE 97 2HD1 ILE 97 -7.100 -4.964 -0.823 732 3HD1 ILE 97 3HD1 ILE 97 -6.567 -3.325 -1.266 733 H LYS 98 H LYS 98 -10.440 -7.657 -2.942 734 HA LYS 98 HA LYS 98 -9.666 -8.716 -5.528 735 1HB LYS 98 1HB LYS 98 -9.676 -10.858 -4.453 736 2HB LYS 98 2HB LYS 98 -8.833 -9.726 -3.416 737 1HG LYS 98 1HG LYS 98 -10.226 -10.395 -1.750 738 2HG LYS 98 2HG LYS 98 -11.485 -9.481 -2.557 739 1HD LYS 98 1HD LYS 98 -11.498 -11.828 -4.029 740 2HD LYS 98 2HD LYS 98 -11.062 -12.427 -2.441 741 1HE LYS 98 1HE LYS 98 -13.113 -10.645 -1.833 742 2HE LYS 98 2HE LYS 98 -13.634 -11.278 -3.382 743 1HZ LYS 98 1HZ LYS 98 -14.421 -12.864 -2.014 744 2HZ LYS 98 2HZ LYS 98 -12.937 -13.508 -2.243 745 3HZ LYS 98 3HZ LYS 98 -13.263 -12.673 -0.878 746 H SER 99 H SER 99 -11.093 -9.090 -7.132 747 HA SER 99 HA SER 99 -13.888 -9.280 -6.318 748 1HB SER 99 1HB SER 99 -14.372 -8.459 -8.685 749 2HB SER 99 2HB SER 99 -13.637 -7.284 -7.613 750 HG SER 99 HG SER 99 -11.600 -7.640 -8.607 751 H GLY 100 H GLY 100 -15.003 -11.138 -6.902 752 1HA GLY 100 1HA GLY 100 -13.550 -13.348 -7.935 753 2HA GLY 100 2HA GLY 100 -15.266 -13.269 -7.588 754 HA PRO 101 HA PRO 101 -14.289 -12.412 -12.160 755 1HB PRO 101 1HB PRO 101 -12.797 -14.441 -13.222 756 2HB PRO 101 2HB PRO 101 -12.117 -12.895 -12.753 757 1HG PRO 101 1HG PRO 101 -11.920 -15.502 -11.373 758 2HG PRO 101 2HG PRO 101 -10.925 -14.074 -11.169 759 1HD PRO 101 1HD PRO 101 -13.002 -14.984 -9.413 760 2HD PRO 101 2HD PRO 101 -12.087 -13.496 -9.271 761 H SER 102 H SER 102 -16.534 -13.147 -11.191 762 HA SER 102 HA SER 102 -17.150 -15.671 -12.490 763 1HB SER 102 1HB SER 102 -17.954 -14.453 -10.012 764 2HB SER 102 2HB SER 102 -19.387 -14.597 -11.011 765 HG SER 102 HG SER 102 -18.237 -16.922 -11.360 766 H SER 103 H SER 103 -19.078 -12.668 -11.787 767 HA SER 103 HA SER 103 -19.399 -12.228 -14.598 768 1HB SER 103 1HB SER 103 -21.607 -13.283 -12.839 769 2HB SER 103 2HB SER 103 -22.026 -12.098 -14.061 770 HG SER 103 HG SER 103 -21.841 -14.662 -14.476 771 H GLY 104 H GLY 104 -20.509 -10.101 -15.019 772 1HA GLY 104 1HA GLY 104 -21.059 -7.965 -14.517 773 2HA GLY 104 2HA GLY 104 -21.164 -8.392 -12.821 Start of MODEL 5 1 1H GLY 0 1H GLY 0 -11.383 -15.506 -10.607 2 1HA GLY 0 1HA GLY 0 -11.157 -18.224 -11.731 3 2HA GLY 0 2HA GLY 0 -12.511 -17.194 -12.153 4 H SER 1 H SER 1 -11.950 -14.939 -13.038 5 HA SER 1 HA SER 1 -9.474 -15.149 -14.569 6 1HB SER 1 1HB SER 1 -10.585 -14.093 -16.457 7 2HB SER 1 2HB SER 1 -11.533 -15.480 -15.960 8 HG SER 1 HG SER 1 -13.188 -14.171 -15.659 9 H SER 2 H SER 2 -8.585 -12.952 -15.262 10 HA SER 2 HA SER 2 -9.197 -11.020 -13.166 11 1HB SER 2 1HB SER 2 -6.688 -12.089 -14.221 12 2HB SER 2 2HB SER 2 -6.716 -10.342 -14.357 13 HG SER 2 HG SER 2 -7.258 -10.233 -12.068 14 H GLY 3 H GLY 3 -8.600 -8.646 -13.923 15 1HA GLY 3 1HA GLY 3 -9.152 -8.246 -16.775 16 2HA GLY 3 2HA GLY 3 -10.273 -7.571 -15.609 17 H SER 4 H SER 4 -8.462 -6.175 -17.543 18 HA SER 4 HA SER 4 -6.679 -4.867 -15.655 19 1HB SER 4 1HB SER 4 -6.487 -5.590 -18.472 20 2HB SER 4 2HB SER 4 -6.235 -3.867 -18.282 21 HG SER 4 HG SER 4 -4.836 -5.941 -16.817 22 H SER 5 H SER 5 -7.988 -3.339 -14.610 23 HA SER 5 HA SER 5 -8.674 -1.074 -16.122 24 1HB SER 5 1HB SER 5 -11.158 -1.136 -15.489 25 2HB SER 5 2HB SER 5 -10.665 -2.200 -16.791 26 HG SER 5 HG SER 5 -11.340 -3.865 -15.641 27 H GLY 6 H GLY 6 -9.850 -2.835 -13.151 28 1HA GLY 6 1HA GLY 6 -9.781 -0.486 -11.535 29 2HA GLY 6 2HA GLY 6 -10.034 -2.139 -11.011 30 H THR 7 H THR 7 -8.055 0.429 -10.520 31 HA THR 7 HA THR 7 -5.589 -1.155 -10.386 32 HB THR 7 HB THR 7 -4.634 1.220 -9.982 33 HG1 THR 7 HG1 THR 7 -6.988 1.859 -9.422 34 1HG2 THR 7 1HG2 THR 7 -5.436 -0.023 -12.414 35 2HG2 THR 7 2HG2 THR 7 -6.046 1.646 -12.514 36 3HG2 THR 7 3HG2 THR 7 -4.312 1.346 -12.243 37 HA PRO 8 HA PRO 8 -5.712 -1.379 -6.105 38 1HB PRO 8 1HB PRO 8 -3.072 -1.289 -5.405 39 2HB PRO 8 2HB PRO 8 -3.849 -2.730 -6.030 40 1HG PRO 8 1HG PRO 8 -1.989 -0.885 -7.399 41 2HG PRO 8 2HG PRO 8 -2.434 -2.522 -7.839 42 1HD PRO 8 1HD PRO 8 -3.374 -0.101 -9.058 43 2HD PRO 8 2HD PRO 8 -3.906 -1.732 -9.419 44 H LEU 9 H LEU 9 -3.539 1.190 -7.151 45 HA LEU 9 HA LEU 9 -3.564 2.622 -4.800 46 1HB LEU 9 1HB LEU 9 -2.025 3.092 -6.562 47 2HB LEU 9 2HB LEU 9 -3.318 3.486 -7.678 48 HG LEU 9 HG LEU 9 -3.858 5.501 -6.438 49 1HD1 LEU 9 1HD1 LEU 9 -1.732 4.576 -4.492 50 2HD1 LEU 9 2HD1 LEU 9 -2.402 6.224 -4.531 51 3HD1 LEU 9 3HD1 LEU 9 -3.464 4.840 -4.177 52 1HD2 LEU 9 1HD2 LEU 9 -2.020 6.810 -7.067 53 2HD2 LEU 9 2HD2 LEU 9 -0.858 5.501 -6.747 54 3HD2 LEU 9 3HD2 LEU 9 -1.952 5.396 -8.147 55 H SER 10 H SER 10 -5.868 2.705 -7.583 56 HA SER 10 HA SER 10 -7.404 4.763 -6.497 57 1HB SER 10 1HB SER 10 -7.316 3.769 -8.925 58 2HB SER 10 2HB SER 10 -8.503 2.620 -8.341 59 HG SER 10 HG SER 10 -8.804 5.317 -8.982 60 H LEU 11 H LEU 11 -7.572 1.163 -6.337 61 HA LEU 11 HA LEU 11 -10.043 0.999 -5.054 62 1HB LEU 11 1HB LEU 11 -7.641 -0.817 -5.148 63 2HB LEU 11 2HB LEU 11 -9.110 -1.245 -4.293 64 HG LEU 11 HG LEU 11 -9.319 -0.420 -7.166 65 1HD1 LEU 11 1HD1 LEU 11 -7.450 -2.295 -6.539 66 2HD1 LEU 11 2HD1 LEU 11 -8.899 -3.308 -6.741 67 3HD1 LEU 11 3HD1 LEU 11 -8.366 -2.244 -8.064 68 1HD2 LEU 11 1HD2 LEU 11 -10.798 -2.736 -6.062 69 2HD2 LEU 11 2HD2 LEU 11 -11.177 -1.151 -5.347 70 3HD2 LEU 11 3HD2 LEU 11 -11.349 -1.400 -7.101 71 H THR 12 H THR 12 -6.713 1.551 -3.847 72 HA THR 12 HA THR 12 -7.488 1.321 -1.101 73 HB THR 12 HB THR 12 -5.097 2.407 -0.913 74 HG1 THR 12 HG1 THR 12 -4.812 1.482 -3.596 75 1HG2 THR 12 1HG2 THR 12 -5.654 -0.227 -2.357 76 2HG2 THR 12 2HG2 THR 12 -4.002 0.297 -1.952 77 3HG2 THR 12 3HG2 THR 12 -5.186 0.005 -0.656 78 H LEU 13 H LEU 13 -6.801 4.069 -3.349 79 HA LEU 13 HA LEU 13 -7.241 6.047 -1.422 80 1HB LEU 13 1HB LEU 13 -7.308 5.998 -4.429 81 2HB LEU 13 2HB LEU 13 -7.671 7.456 -3.527 82 HG LEU 13 HG LEU 13 -5.077 5.908 -3.296 83 1HD1 LEU 13 1HD1 LEU 13 -4.083 7.256 -4.861 84 2HD1 LEU 13 2HD1 LEU 13 -5.718 7.107 -5.550 85 3HD1 LEU 13 3HD1 LEU 13 -5.263 8.572 -4.647 86 1HD2 LEU 13 1HD2 LEU 13 -6.042 8.514 -2.119 87 2HD2 LEU 13 2HD2 LEU 13 -5.363 7.093 -1.290 88 3HD2 LEU 13 3HD2 LEU 13 -4.312 8.128 -2.287 89 H ASP 14 H ASP 14 -9.431 4.413 -3.783 90 HA ASP 14 HA ASP 14 -11.631 5.943 -3.419 91 1HB ASP 14 1HB ASP 14 -11.153 3.033 -4.030 92 2HB ASP 14 2HB ASP 14 -12.799 3.509 -3.661 93 H HIS 15 H HIS 15 -10.379 3.163 -1.468 94 HA HIS 15 HA HIS 15 -12.505 3.642 0.476 95 1HB HIS 15 1HB HIS 15 -10.733 1.274 -0.118 96 2HB HIS 15 2HB HIS 15 -11.576 1.413 1.412 97 HD1 HIS 15 HD1 HIS 15 -14.354 2.227 0.774 98 HD2 HIS 15 HD2 HIS 15 -12.195 -0.341 -1.743 99 HE1 HIS 15 HE1 HIS 15 -16.085 0.947 -0.596 100 H TRP 16 H TRP 16 -10.445 5.596 0.238 101 HA TRP 16 HA TRP 16 -8.215 5.289 1.761 102 1HB TRP 16 1HB TRP 16 -8.691 7.275 0.470 103 2HB TRP 16 2HB TRP 16 -10.035 7.689 1.516 104 HD1 TRP 16 HD1 TRP 16 -9.311 9.688 3.021 105 HE1 TRP 16 HE1 TRP 16 -7.195 10.487 4.380 106 HE3 TRP 16 HE3 TRP 16 -6.316 5.816 1.648 107 HZ2 TRP 16 HZ2 TRP 16 -4.565 9.433 4.721 108 HZ3 TRP 16 HZ3 TRP 16 -3.987 5.776 2.538 109 HH2 TRP 16 HH2 TRP 16 -3.100 7.502 4.025 110 H SER 17 H SER 17 -11.634 5.748 2.767 111 HA SER 17 HA SER 17 -11.243 6.316 5.397 112 1HB SER 17 1HB SER 17 -13.409 4.807 3.911 113 2HB SER 17 2HB SER 17 -13.501 4.975 5.653 114 HG SER 17 HG SER 17 -14.570 6.769 4.950 115 H GLU 18 H GLU 18 -11.222 3.142 3.692 116 HA GLU 18 HA GLU 18 -11.051 1.645 6.066 117 1HB GLU 18 1HB GLU 18 -11.906 0.526 4.141 118 2HB GLU 18 2HB GLU 18 -10.569 1.040 3.132 119 1HG GLU 18 1HG GLU 18 -9.048 -0.494 4.137 120 2HG GLU 18 2HG GLU 18 -10.046 -0.700 5.563 121 H ILE 19 H ILE 19 -8.636 2.708 3.576 122 HA ILE 19 HA ILE 19 -6.426 1.489 4.706 123 HB ILE 19 HB ILE 19 -6.392 4.136 3.275 124 1HG1 ILE 19 1HG1 ILE 19 -7.833 2.967 1.878 125 2HG1 ILE 19 2HG1 ILE 19 -6.259 2.643 1.180 126 1HG2 ILE 19 1HG2 ILE 19 -4.467 1.816 3.068 127 2HG2 ILE 19 2HG2 ILE 19 -4.252 3.489 2.502 128 3HG2 ILE 19 3HG2 ILE 19 -4.278 3.136 4.247 129 1HD1 ILE 19 1HD1 ILE 19 -6.253 0.517 2.727 130 2HD1 ILE 19 2HD1 ILE 19 -8.007 0.801 2.831 131 3HD1 ILE 19 3HD1 ILE 19 -7.247 0.502 1.250 132 H ARG 20 H ARG 20 -8.116 4.536 5.516 133 HA ARG 20 HA ARG 20 -6.100 5.512 7.163 134 1HB ARG 20 1HB ARG 20 -9.090 6.020 6.935 135 2HB ARG 20 2HB ARG 20 -8.163 6.802 8.200 136 1HG ARG 20 1HG ARG 20 -6.528 7.422 6.164 137 2HG ARG 20 2HG ARG 20 -7.973 7.163 5.207 138 1HD ARG 20 1HD ARG 20 -7.587 9.570 6.034 139 2HD ARG 20 2HD ARG 20 -9.179 8.904 6.334 140 HE ARG 20 HE ARG 20 -8.728 8.873 8.647 141 1HH1 ARG 20 1HH1 ARG 20 -5.765 9.497 6.854 142 2HH1 ARG 20 2HH1 ARG 20 -4.849 9.914 8.264 143 1HH2 ARG 20 1HH2 ARG 20 -7.520 9.424 10.507 144 2HH2 ARG 20 2HH2 ARG 20 -5.854 9.872 10.356 145 H SER 21 H SER 21 -8.809 3.233 7.630 146 HA SER 21 HA SER 21 -8.753 3.302 10.429 147 1HB SER 21 1HB SER 21 -9.707 1.056 8.598 148 2HB SER 21 2HB SER 21 -10.149 1.269 10.280 149 HG SER 21 HG SER 21 -11.580 2.144 8.362 150 H ARG 22 H ARG 22 -7.105 1.351 7.900 151 HA ARG 22 HA ARG 22 -6.115 -0.617 9.523 152 1HB ARG 22 1HB ARG 22 -4.801 0.665 7.073 153 2HB ARG 22 2HB ARG 22 -4.358 -0.893 7.742 154 1HG ARG 22 1HG ARG 22 -7.222 -0.307 6.898 155 2HG ARG 22 2HG ARG 22 -6.029 -0.844 5.732 156 1HD ARG 22 1HD ARG 22 -5.576 -2.730 7.616 157 2HD ARG 22 2HD ARG 22 -7.231 -2.350 8.050 158 HE ARG 22 HE ARG 22 -7.212 -2.655 5.242 159 1HH1 ARG 22 1HH1 ARG 22 -6.548 -4.643 8.069 160 2HH1 ARG 22 2HH1 ARG 22 -7.004 -6.123 7.293 161 1HH2 ARG 22 1HH2 ARG 22 -7.814 -4.607 4.218 162 2HH2 ARG 22 2HH2 ARG 22 -7.729 -6.103 5.088 163 H ALA 23 H ALA 23 -5.066 2.748 8.984 164 HA ALA 23 HA ALA 23 -2.505 2.416 10.188 165 1HB ALA 23 1HB ALA 23 -2.351 4.305 8.960 166 2HB ALA 23 2HB ALA 23 -4.117 4.522 8.924 167 3HB ALA 23 3HB ALA 23 -3.176 5.115 10.314 168 H HIS 24 H HIS 24 -5.813 3.206 11.270 169 HA HIS 24 HA HIS 24 -5.073 4.215 13.777 170 1HB HIS 24 1HB HIS 24 -7.383 4.043 12.329 171 2HB HIS 24 2HB HIS 24 -7.673 2.824 13.554 172 HD1 HIS 24 HD1 HIS 24 -9.513 4.286 14.684 173 HD2 HIS 24 HD2 HIS 24 -5.707 6.048 14.617 174 HE1 HIS 24 HE1 HIS 24 -9.620 6.278 16.275 175 H ASN 25 H ASN 25 -5.915 0.915 12.580 176 HA ASN 25 HA ASN 25 -5.788 -0.240 15.124 177 1HB ASN 25 1HB ASN 25 -6.555 -1.059 12.562 178 2HB ASN 25 2HB ASN 25 -5.094 -1.992 12.818 179 1HD2 ASN 25 1HD2 ASN 25 -8.387 -1.569 13.584 180 2HD2 ASN 25 2HD2 ASN 25 -8.584 -2.859 14.723 181 H LEU 26 H LEU 26 -3.447 0.653 12.619 182 HA LEU 26 HA LEU 26 -1.365 -0.978 13.833 183 1HB LEU 26 1HB LEU 26 -1.367 0.758 11.361 184 2HB LEU 26 2HB LEU 26 -0.016 -0.210 11.918 185 HG LEU 26 HG LEU 26 -2.695 -1.444 11.267 186 1HD1 LEU 26 1HD1 LEU 26 -1.585 -0.056 9.360 187 2HD1 LEU 26 2HD1 LEU 26 -0.439 -1.416 9.286 188 3HD1 LEU 26 3HD1 LEU 26 -2.178 -1.702 9.031 189 1HD2 LEU 26 1HD2 LEU 26 -1.386 -2.949 12.505 190 2HD2 LEU 26 2HD2 LEU 26 -1.158 -3.433 10.807 191 3HD2 LEU 26 3HD2 LEU 26 0.107 -2.501 11.644 192 H SER 27 H SER 27 -2.825 1.576 14.948 193 HA SER 27 HA SER 27 -2.307 3.477 15.911 194 1HB SER 27 1HB SER 27 -1.434 1.790 17.512 195 2HB SER 27 2HB SER 27 0.136 1.847 16.737 196 HG SER 27 HG SER 27 -0.329 4.376 17.276 197 H VAL 28 H VAL 28 -1.740 3.856 13.285 198 HA VAL 28 HA VAL 28 0.706 5.449 13.409 199 HB VAL 28 HB VAL 28 1.266 4.702 11.112 200 1HG1 VAL 28 1HG1 VAL 28 1.488 3.116 13.573 201 2HG1 VAL 28 2HG1 VAL 28 1.690 2.154 12.089 202 3HG1 VAL 28 3HG1 VAL 28 2.731 3.568 12.382 203 1HG2 VAL 28 1HG2 VAL 28 -0.941 2.686 11.625 204 2HG2 VAL 28 2HG2 VAL 28 -0.832 3.875 10.305 205 3HG2 VAL 28 3HG2 VAL 28 0.297 2.500 10.360 206 H GLU 29 H GLU 29 0.743 7.100 11.581 207 HA GLU 29 HA GLU 29 -2.004 7.774 10.869 208 1HB GLU 29 1HB GLU 29 0.068 9.371 12.273 209 2HB GLU 29 2HB GLU 29 -0.710 10.220 10.952 210 1HG GLU 29 1HG GLU 29 -2.848 10.095 11.940 211 2HG GLU 29 2HG GLU 29 -2.442 8.685 12.897 212 H ILE 30 H ILE 30 -2.360 8.429 8.732 213 HA ILE 30 HA ILE 30 -0.009 8.915 7.083 214 HB ILE 30 HB ILE 30 -0.859 7.368 5.358 215 1HG1 ILE 30 1HG1 ILE 30 -2.775 6.506 7.543 216 2HG1 ILE 30 2HG1 ILE 30 -3.189 7.216 5.995 217 1HG2 ILE 30 1HG2 ILE 30 0.401 5.655 6.140 218 2HG2 ILE 30 2HG2 ILE 30 0.819 6.857 7.384 219 3HG2 ILE 30 3HG2 ILE 30 -0.416 5.621 7.721 220 1HD1 ILE 30 1HD1 ILE 30 -3.282 4.590 6.307 221 2HD1 ILE 30 2HD1 ILE 30 -2.646 5.274 4.791 222 3HD1 ILE 30 3HD1 ILE 30 -1.524 4.692 6.045 223 H LYS 31 H LYS 31 -0.873 9.555 4.744 224 HA LYS 31 HA LYS 31 -3.329 11.115 5.103 225 1HB LYS 31 1HB LYS 31 -0.589 12.074 4.454 226 2HB LYS 31 2HB LYS 31 -1.898 12.765 3.517 227 1HG LYS 31 1HG LYS 31 -2.806 12.698 6.231 228 2HG LYS 31 2HG LYS 31 -1.159 13.295 6.280 229 1HD LYS 31 1HD LYS 31 -2.854 14.457 4.112 230 2HD LYS 31 2HD LYS 31 -3.358 14.862 5.740 231 1HE LYS 31 1HE LYS 31 -0.976 15.591 6.239 232 2HE LYS 31 2HE LYS 31 -0.575 15.300 4.558 233 1HZ LYS 31 1HZ LYS 31 -2.894 16.884 4.787 234 2HZ LYS 31 2HZ LYS 31 -1.650 17.570 5.594 235 3HZ LYS 31 3HZ LYS 31 -1.496 17.210 4.008 236 H LYS 32 H LYS 32 -4.173 11.885 2.877 237 HA LYS 32 HA LYS 32 -4.053 9.560 1.137 238 1HB LYS 32 1HB LYS 32 -6.220 10.585 1.990 239 2HB LYS 32 2HB LYS 32 -5.898 11.951 0.941 240 1HG LYS 32 1HG LYS 32 -5.651 10.243 -0.985 241 2HG LYS 32 2HG LYS 32 -6.303 9.045 0.115 242 1HD LYS 32 1HD LYS 32 -8.175 10.991 0.460 243 2HD LYS 32 2HD LYS 32 -7.669 11.391 -1.170 244 1HE LYS 32 1HE LYS 32 -7.952 8.533 -1.067 245 2HE LYS 32 2HE LYS 32 -9.368 9.211 -0.288 246 1HZ LYS 32 1HZ LYS 32 -9.863 10.445 -2.190 247 2HZ LYS 32 2HZ LYS 32 -8.403 10.192 -2.875 248 3HZ LYS 32 3HZ LYS 32 -9.470 8.963 -2.751 249 H GLY 33 H GLY 33 -2.812 12.806 1.441 250 1HA GLY 33 1HA GLY 33 -2.465 13.352 -1.334 251 2HA GLY 33 2HA GLY 33 -1.702 14.163 0.019 252 HA PRO 34 HA PRO 34 1.891 11.725 -0.437 253 1HB PRO 34 1HB PRO 34 2.442 10.461 1.922 254 2HB PRO 34 2HB PRO 34 2.758 12.163 1.650 255 1HG PRO 34 1HG PRO 34 0.596 10.909 3.228 256 2HG PRO 34 2HG PRO 34 1.180 12.560 3.285 257 1HD PRO 34 1HD PRO 34 -1.227 11.634 2.029 258 2HD PRO 34 2HD PRO 34 -0.583 13.263 1.987 259 H TRP 35 H TRP 35 -0.599 9.727 0.994 260 HA TRP 35 HA TRP 35 0.425 7.257 0.466 261 1HB TRP 35 1HB TRP 35 -1.593 7.538 1.706 262 2HB TRP 35 2HB TRP 35 -2.413 8.273 0.343 263 HD1 TRP 35 HD1 TRP 35 -2.975 6.515 -1.783 264 HE1 TRP 35 HE1 TRP 35 -3.575 3.946 -1.835 265 HE3 TRP 35 HE3 TRP 35 -1.144 5.457 2.841 266 HZ2 TRP 35 HZ2 TRP 35 -3.225 1.807 0.022 267 HZ3 TRP 35 HZ3 TRP 35 -1.312 3.104 3.647 268 HH2 TRP 35 HH2 TRP 35 -2.309 1.310 2.319 269 H ARG 36 H ARG 36 -1.135 9.634 -1.740 270 HA ARG 36 HA ARG 36 -1.127 7.817 -3.906 271 1HB ARG 36 1HB ARG 36 -2.735 9.771 -3.626 272 2HB ARG 36 2HB ARG 36 -1.404 10.865 -3.948 273 1HG ARG 36 1HG ARG 36 -1.335 10.353 -6.205 274 2HG ARG 36 2HG ARG 36 -1.775 8.676 -5.953 275 1HD ARG 36 1HD ARG 36 -4.024 9.098 -6.166 276 2HD ARG 36 2HD ARG 36 -3.939 10.573 -5.224 277 HE ARG 36 HE ARG 36 -3.573 11.812 -7.196 278 1HH1 ARG 36 1HH1 ARG 36 -3.288 8.369 -7.865 279 2HH1 ARG 36 2HH1 ARG 36 -3.264 8.576 -9.585 280 1HH2 ARG 36 1HH2 ARG 36 -3.542 12.085 -9.465 281 2HH2 ARG 36 2HH2 ARG 36 -3.410 10.703 -10.501 282 H THR 37 H THR 37 0.794 10.744 -2.940 283 HA THR 37 HA THR 37 2.476 10.836 -5.142 284 HB THR 37 HB THR 37 2.748 11.640 -2.208 285 HG1 THR 37 HG1 THR 37 1.236 12.817 -3.534 286 1HG2 THR 37 1HG2 THR 37 4.428 13.113 -4.099 287 2HG2 THR 37 2HG2 THR 37 4.890 12.362 -2.553 288 3HG2 THR 37 3HG2 THR 37 4.906 11.399 -4.051 289 H PHE 38 H PHE 38 2.971 9.108 -1.994 290 HA PHE 38 HA PHE 38 5.438 8.052 -2.631 291 1HB PHE 38 1HB PHE 38 3.032 7.155 -0.958 292 2HB PHE 38 2HB PHE 38 4.501 6.201 -0.970 293 HD1 PHE 38 HD1 PHE 38 2.968 7.957 1.237 294 HD2 PHE 38 HD2 PHE 38 6.532 8.402 -1.023 295 HE1 PHE 38 HE1 PHE 38 3.930 9.415 3.040 296 HE2 PHE 38 HE2 PHE 38 7.493 9.860 0.780 297 HZ PHE 38 HZ PHE 38 6.181 10.349 2.790 298 H CYS 39 H CYS 39 2.169 7.079 -3.643 299 HA CYS 39 HA CYS 39 3.296 4.667 -4.837 300 1HB CYS 39 1HB CYS 39 1.201 4.594 -3.356 301 2HB CYS 39 2HB CYS 39 0.359 5.381 -4.676 302 HG CYS 39 HG CYS 39 -0.287 3.167 -5.390 303 H ALA 40 H ALA 40 3.388 7.741 -5.619 304 HA ALA 40 HA ALA 40 2.085 7.564 -8.223 305 1HB ALA 40 1HB ALA 40 2.525 9.973 -8.325 306 2HB ALA 40 2HB ALA 40 1.731 9.563 -6.785 307 3HB ALA 40 3HB ALA 40 3.482 9.883 -6.827 308 H SER 41 H SER 41 5.304 8.514 -6.813 309 HA SER 41 HA SER 41 6.575 7.019 -8.892 310 1HB SER 41 1HB SER 41 6.045 9.536 -9.638 311 2HB SER 41 2HB SER 41 7.469 9.891 -8.680 312 HG SER 41 HG SER 41 7.361 8.929 -11.201 313 H GLU 42 H GLU 42 6.380 6.767 -6.018 314 HA GLU 42 HA GLU 42 9.106 7.497 -5.272 315 1HB GLU 42 1HB GLU 42 7.071 8.511 -3.982 316 2HB GLU 42 2HB GLU 42 6.888 6.915 -3.283 317 1HG GLU 42 1HG GLU 42 8.318 7.854 -1.710 318 2HG GLU 42 2HG GLU 42 9.506 7.165 -2.799 319 H TRP 43 H TRP 43 6.474 5.032 -4.920 320 HA TRP 43 HA TRP 43 8.290 3.091 -3.852 321 1HB TRP 43 1HB TRP 43 5.397 3.077 -4.671 322 2HB TRP 43 2HB TRP 43 6.237 1.588 -4.287 323 HD1 TRP 43 HD1 TRP 43 7.941 3.333 -1.844 324 HE1 TRP 43 HE1 TRP 43 6.774 3.605 0.507 325 HE3 TRP 43 HE3 TRP 43 3.229 2.343 -3.481 326 HZ2 TRP 43 HZ2 TRP 43 4.072 3.380 1.398 327 HZ3 TRP 43 HZ3 TRP 43 1.384 2.389 -1.806 328 HH2 TRP 43 HH2 TRP 43 1.746 2.885 0.560 329 HA PRO 44 HA PRO 44 7.799 1.662 -8.364 330 1HB PRO 44 1HB PRO 44 6.845 3.428 -10.219 331 2HB PRO 44 2HB PRO 44 5.840 2.225 -9.436 332 1HG PRO 44 1HG PRO 44 5.966 5.137 -8.947 333 2HG PRO 44 2HG PRO 44 4.707 4.003 -8.502 334 1HD PRO 44 1HD PRO 44 6.692 5.132 -6.766 335 2HD PRO 44 2HD PRO 44 5.507 3.910 -6.348 336 H THR 45 H THR 45 9.278 4.221 -7.072 337 HA THR 45 HA THR 45 11.218 4.281 -9.290 338 HB THR 45 HB THR 45 11.629 6.653 -8.610 339 HG1 THR 45 HG1 THR 45 9.305 6.128 -6.904 340 1HG2 THR 45 1HG2 THR 45 8.611 6.215 -8.827 341 2HG2 THR 45 2HG2 THR 45 9.536 7.649 -9.333 342 3HG2 THR 45 3HG2 THR 45 9.695 6.123 -10.235 343 H PHE 46 H PHE 46 10.814 2.597 -6.695 344 HA PHE 46 HA PHE 46 13.193 3.389 -5.245 345 1HB PHE 46 1HB PHE 46 10.803 1.580 -4.976 346 2HB PHE 46 2HB PHE 46 12.263 0.955 -4.236 347 HD1 PHE 46 HD1 PHE 46 11.117 1.071 -2.052 348 HD2 PHE 46 HD2 PHE 46 11.852 4.560 -4.353 349 HE1 PHE 46 HE1 PHE 46 10.700 2.494 -0.027 350 HE2 PHE 46 HE2 PHE 46 11.435 5.983 -2.328 351 HZ PHE 46 HZ PHE 46 10.864 4.933 -0.189 352 H ASP 47 H ASP 47 12.555 1.689 -8.067 353 HA ASP 47 HA ASP 47 13.707 0.321 -9.292 354 1HB ASP 47 1HB ASP 47 15.775 1.213 -7.313 355 2HB ASP 47 2HB ASP 47 16.168 -0.232 -8.224 356 H VAL 48 H VAL 48 12.185 -1.421 -8.632 357 HA VAL 48 HA VAL 48 13.547 -3.629 -7.434 358 HB VAL 48 HB VAL 48 11.529 -3.878 -5.785 359 1HG1 VAL 48 1HG1 VAL 48 12.960 -3.321 -4.069 360 2HG1 VAL 48 2HG1 VAL 48 14.113 -3.443 -5.419 361 3HG1 VAL 48 3HG1 VAL 48 13.540 -1.847 -4.880 362 1HG2 VAL 48 1HG2 VAL 48 11.556 -1.098 -5.102 363 2HG2 VAL 48 2HG2 VAL 48 11.064 -1.258 -6.805 364 3HG2 VAL 48 3HG2 VAL 48 10.171 -2.129 -5.535 365 H GLY 49 H GLY 49 10.208 -2.350 -8.114 366 1HA GLY 49 1HA GLY 49 9.598 -3.492 -10.428 367 2HA GLY 49 2HA GLY 49 9.511 -4.886 -9.370 368 H TRP 50 H TRP 50 8.687 -1.444 -8.613 369 HA TRP 50 HA TRP 50 5.991 -2.385 -7.938 370 1HB TRP 50 1HB TRP 50 7.182 -1.468 -6.063 371 2HB TRP 50 2HB TRP 50 7.602 -0.023 -6.962 372 HD1 TRP 50 HD1 TRP 50 5.368 1.607 -7.633 373 HE1 TRP 50 HE1 TRP 50 3.172 2.177 -6.286 374 HE3 TRP 50 HE3 TRP 50 5.635 -2.378 -4.486 375 HZ2 TRP 50 HZ2 TRP 50 1.823 0.926 -4.104 376 HZ3 TRP 50 HZ3 TRP 50 3.839 -2.630 -2.776 377 HH2 TRP 50 HH2 TRP 50 1.980 -1.058 -2.556 378 HA PRO 51 HA PRO 51 4.824 -0.101 -11.490 379 1HB PRO 51 1HB PRO 51 2.151 -0.662 -11.422 380 2HB PRO 51 2HB PRO 51 3.335 -1.727 -12.153 381 1HG PRO 51 1HG PRO 51 1.923 -2.019 -9.572 382 2HG PRO 51 2HG PRO 51 2.764 -3.239 -10.508 383 1HD PRO 51 1HD PRO 51 3.718 -1.932 -8.139 384 2HD PRO 51 2HD PRO 51 4.604 -3.066 -9.139 385 HA PRO 52 HA PRO 52 3.352 3.646 -10.155 386 1HB PRO 52 1HB PRO 52 2.104 4.696 -12.348 387 2HB PRO 52 2HB PRO 52 3.844 4.707 -12.138 388 1HG PRO 52 1HG PRO 52 2.201 2.994 -13.900 389 2HG PRO 52 2HG PRO 52 3.920 3.321 -13.979 390 1HD PRO 52 1HD PRO 52 2.670 0.938 -12.986 391 2HD PRO 52 2HD PRO 52 4.381 1.313 -12.959 392 H GLU 53 H GLU 53 1.057 1.429 -11.435 393 HA GLU 53 HA GLU 53 -1.114 2.945 -10.339 394 1HB GLU 53 1HB GLU 53 -0.949 0.261 -11.767 395 2HB GLU 53 2HB GLU 53 -2.454 0.898 -11.133 396 1HG GLU 53 1HG GLU 53 -2.494 1.677 -13.353 397 2HG GLU 53 2HG GLU 53 -1.864 3.067 -12.492 398 H GLY 54 H GLY 54 1.137 0.480 -9.339 399 1HA GLY 54 1HA GLY 54 1.359 -0.046 -7.052 400 2HA GLY 54 2HA GLY 54 -0.367 0.161 -6.829 401 H THR 55 H THR 55 0.606 -2.126 -5.790 402 HA THR 55 HA THR 55 -0.712 -4.126 -7.351 403 HB THR 55 HB THR 55 1.629 -3.925 -8.398 404 HG1 THR 55 HG1 THR 55 0.237 -5.896 -8.312 405 1HG2 THR 55 1HG2 THR 55 2.328 -4.881 -5.586 406 2HG2 THR 55 2HG2 THR 55 3.329 -5.322 -6.990 407 3HG2 THR 55 3HG2 THR 55 3.127 -3.611 -6.544 408 H PHE 56 H PHE 56 -1.440 -5.815 -6.099 409 HA PHE 56 HA PHE 56 -0.990 -5.423 -3.254 410 1HB PHE 56 1HB PHE 56 -2.940 -6.957 -5.054 411 2HB PHE 56 2HB PHE 56 -2.910 -7.257 -3.328 412 HD1 PHE 56 HD1 PHE 56 -2.988 -4.978 -1.880 413 HD2 PHE 56 HD2 PHE 56 -4.505 -5.454 -5.815 414 HE1 PHE 56 HE1 PHE 56 -4.541 -3.040 -1.516 415 HE2 PHE 56 HE2 PHE 56 -6.058 -3.516 -5.450 416 HZ PHE 56 HZ PHE 56 -6.057 -2.332 -3.305 417 H ASP 57 H ASP 57 1.143 -6.596 -4.970 418 HA ASP 57 HA ASP 57 1.037 -9.381 -4.245 419 1HB ASP 57 1HB ASP 57 1.862 -8.713 -6.495 420 2HB ASP 57 2HB ASP 57 3.118 -7.736 -5.760 421 H LEU 58 H LEU 58 1.697 -9.819 -2.129 422 HA LEU 58 HA LEU 58 2.996 -8.133 -0.446 423 1HB LEU 58 1HB LEU 58 1.943 -10.619 -0.292 424 2HB LEU 58 2HB LEU 58 3.648 -11.004 -0.164 425 HG LEU 58 HG LEU 58 3.631 -9.096 1.666 426 1HD1 LEU 58 1HD1 LEU 58 1.241 -8.505 1.160 427 2HD1 LEU 58 2HD1 LEU 58 0.773 -10.068 1.872 428 3HD1 LEU 58 3HD1 LEU 58 1.594 -8.844 2.871 429 1HD2 LEU 58 1HD2 LEU 58 2.709 -11.953 1.976 430 2HD2 LEU 58 2HD2 LEU 58 4.325 -11.261 2.256 431 3HD2 LEU 58 3HD2 LEU 58 2.990 -10.884 3.371 432 H THR 59 H THR 59 4.410 -10.401 -2.850 433 HA THR 59 HA THR 59 7.067 -10.171 -2.055 434 HB THR 59 HB THR 59 5.628 -10.757 -4.679 435 HG1 THR 59 HG1 THR 59 7.309 -12.186 -2.739 436 1HG2 THR 59 1HG2 THR 59 7.874 -9.889 -5.308 437 2HG2 THR 59 2HG2 THR 59 8.627 -10.919 -4.067 438 3HG2 THR 59 3HG2 THR 59 7.835 -11.661 -5.478 439 H VAL 60 H VAL 60 5.235 -8.220 -4.501 440 HA VAL 60 HA VAL 60 7.429 -6.520 -4.998 441 HB VAL 60 HB VAL 60 4.466 -6.093 -5.431 442 1HG1 VAL 60 1HG1 VAL 60 5.789 -4.018 -5.583 443 2HG1 VAL 60 2HG1 VAL 60 6.856 -4.790 -6.780 444 3HG1 VAL 60 3HG1 VAL 60 5.142 -4.508 -7.168 445 1HG2 VAL 60 1HG2 VAL 60 4.529 -7.519 -7.153 446 2HG2 VAL 60 2HG2 VAL 60 6.041 -6.814 -7.775 447 3HG2 VAL 60 3HG2 VAL 60 6.097 -8.078 -6.523 448 H ILE 61 H ILE 61 4.857 -6.634 -2.556 449 HA ILE 61 HA ILE 61 5.135 -3.937 -1.740 450 HB ILE 61 HB ILE 61 3.926 -6.392 -0.481 451 1HG1 ILE 61 1HG1 ILE 61 2.654 -3.916 -1.684 452 2HG1 ILE 61 2HG1 ILE 61 2.844 -5.447 -2.515 453 1HG2 ILE 61 1HG2 ILE 61 3.743 -3.557 0.570 454 2HG2 ILE 61 2HG2 ILE 61 3.000 -5.020 1.260 455 3HG2 ILE 61 3HG2 ILE 61 4.770 -4.833 1.267 456 1HD1 ILE 61 1HD1 ILE 61 0.640 -5.543 -1.637 457 2HD1 ILE 61 2HD1 ILE 61 1.596 -6.500 -0.480 458 3HD1 ILE 61 3HD1 ILE 61 1.134 -4.827 -0.084 459 H PHE 62 H PHE 62 6.356 -7.088 -0.412 460 HA PHE 62 HA PHE 62 7.776 -6.031 1.691 461 1HB PHE 62 1HB PHE 62 7.718 -8.463 -0.055 462 2HB PHE 62 2HB PHE 62 9.277 -8.203 0.702 463 HD1 PHE 62 HD1 PHE 62 5.653 -8.269 1.606 464 HD2 PHE 62 HD2 PHE 62 9.639 -9.113 2.792 465 HE1 PHE 62 HE1 PHE 62 4.802 -9.320 3.720 466 HE2 PHE 62 HE2 PHE 62 8.788 -10.165 4.906 467 HZ PHE 62 HZ PHE 62 6.379 -10.256 5.345 468 H GLU 63 H GLU 63 8.473 -5.974 -1.774 469 HA GLU 63 HA GLU 63 11.223 -5.667 -1.601 470 1HB GLU 63 1HB GLU 63 9.164 -4.822 -3.670 471 2HB GLU 63 2HB GLU 63 10.872 -4.504 -3.900 472 1HG GLU 63 1HG GLU 63 10.092 -7.303 -3.110 473 2HG GLU 63 2HG GLU 63 9.698 -6.794 -4.740 474 H VAL 64 H VAL 64 8.556 -3.210 -1.833 475 HA VAL 64 HA VAL 64 10.330 -1.018 -1.605 476 HB VAL 64 HB VAL 64 7.363 -1.440 -1.463 477 1HG1 VAL 64 1HG1 VAL 64 8.740 1.234 -1.040 478 2HG1 VAL 64 2HG1 VAL 64 6.988 0.933 -1.126 479 3HG1 VAL 64 3HG1 VAL 64 7.936 0.286 0.235 480 1HG2 VAL 64 1HG2 VAL 64 9.056 0.285 -3.298 481 2HG2 VAL 64 2HG2 VAL 64 8.581 -1.393 -3.651 482 3HG2 VAL 64 3HG2 VAL 64 7.336 -0.132 -3.486 483 H LYS 65 H LYS 65 8.364 -2.965 0.691 484 HA LYS 65 HA LYS 65 8.711 -1.320 2.908 485 1HB LYS 65 1HB LYS 65 7.040 -3.088 2.801 486 2HB LYS 65 2HB LYS 65 8.287 -4.315 2.709 487 1HG LYS 65 1HG LYS 65 9.124 -3.079 4.971 488 2HG LYS 65 2HG LYS 65 7.427 -2.651 5.063 489 1HD LYS 65 1HD LYS 65 6.758 -4.817 5.474 490 2HD LYS 65 2HD LYS 65 7.933 -5.504 4.371 491 1HE LYS 65 1HE LYS 65 9.447 -4.354 6.503 492 2HE LYS 65 2HE LYS 65 8.108 -5.189 7.264 493 1HZ LYS 65 1HZ LYS 65 9.427 -6.604 5.130 494 2HZ LYS 65 2HZ LYS 65 10.298 -6.404 6.497 495 3HZ LYS 65 3HZ LYS 65 8.854 -7.163 6.553 496 H ALA 66 H ALA 66 10.793 -3.822 1.414 497 HA ALA 66 HA ALA 66 12.600 -4.122 3.496 498 1HB ALA 66 1HB ALA 66 12.812 -5.680 1.785 499 2HB ALA 66 2HB ALA 66 12.651 -4.454 0.504 500 3HB ALA 66 3HB ALA 66 14.172 -4.592 1.418 501 H ILE 67 H ILE 67 12.676 -1.857 0.654 502 HA ILE 67 HA ILE 67 15.010 -0.552 1.542 503 HB ILE 67 HB ILE 67 12.851 0.238 -0.412 504 1HG1 ILE 67 1HG1 ILE 67 15.434 -0.376 -1.543 505 2HG1 ILE 67 2HG1 ILE 67 14.901 -1.709 -0.539 506 1HG2 ILE 67 1HG2 ILE 67 14.390 1.923 -1.254 507 2HG2 ILE 67 2HG2 ILE 67 14.002 2.228 0.456 508 3HG2 ILE 67 3HG2 ILE 67 15.569 1.509 0.014 509 1HD1 ILE 67 1HD1 ILE 67 12.579 -1.371 -1.756 510 2HD1 ILE 67 2HD1 ILE 67 13.557 -0.513 -2.971 511 3HD1 ILE 67 3HD1 ILE 67 13.896 -2.220 -2.600 512 H VAL 68 H VAL 68 11.479 0.130 1.874 513 HA VAL 68 HA VAL 68 11.715 2.602 3.093 514 HB VAL 68 HB VAL 68 9.685 0.390 3.159 515 1HG1 VAL 68 1HG1 VAL 68 9.930 2.571 5.083 516 2HG1 VAL 68 2HG1 VAL 68 8.391 2.631 4.191 517 3HG1 VAL 68 3HG1 VAL 68 8.844 1.160 5.085 518 1HG2 VAL 68 1HG2 VAL 68 8.383 2.471 2.135 519 2HG2 VAL 68 2HG2 VAL 68 10.037 3.015 1.767 520 3HG2 VAL 68 3HG2 VAL 68 9.454 1.454 1.141 521 H PHE 69 H PHE 69 11.557 -0.710 4.570 522 HA PHE 69 HA PHE 69 12.191 0.452 7.145 523 1HB PHE 69 1HB PHE 69 11.590 -2.344 6.023 524 2HB PHE 69 2HB PHE 69 12.017 -2.109 7.706 525 HD1 PHE 69 HD1 PHE 69 10.281 -1.953 9.206 526 HD2 PHE 69 HD2 PHE 69 9.622 -0.688 5.209 527 HE1 PHE 69 HE1 PHE 69 7.876 -1.485 9.751 528 HE2 PHE 69 HE2 PHE 69 7.217 -0.220 5.754 529 HZ PHE 69 HZ PHE 69 6.373 -0.624 8.018 530 H GLN 70 H GLN 70 14.265 0.892 5.274 531 HA GLN 70 HA GLN 70 16.173 -1.211 5.683 532 1HB GLN 70 1HB GLN 70 17.575 0.000 4.142 533 2HB GLN 70 2HB GLN 70 15.944 0.065 3.506 534 1HG GLN 70 1HG GLN 70 15.636 2.339 4.473 535 2HG GLN 70 2HG GLN 70 17.242 2.274 5.171 536 1HE2 GLN 70 1HE2 GLN 70 15.393 2.300 2.183 537 2HE2 GLN 70 2HE2 GLN 70 16.635 2.902 1.137 538 H ASP 71 H ASP 71 18.597 0.010 6.053 539 HA ASP 71 HA ASP 71 18.209 1.214 8.670 540 1HB ASP 71 1HB ASP 71 19.538 -0.769 8.847 541 2HB ASP 71 2HB ASP 71 20.447 -0.394 7.396 542 H GLY 72 H GLY 72 19.319 3.216 9.159 543 1HA GLY 72 1HA GLY 72 20.981 4.837 8.650 544 2HA GLY 72 2HA GLY 72 20.849 4.433 6.950 545 HA PRO 73 HA PRO 73 18.183 8.042 7.664 546 1HB PRO 73 1HB PRO 73 19.311 9.714 5.820 547 2HB PRO 73 2HB PRO 73 19.756 9.717 7.515 548 1HG PRO 73 1HG PRO 73 21.250 8.626 5.209 549 2HG PRO 73 2HG PRO 73 21.840 9.022 6.811 550 1HD PRO 73 1HD PRO 73 21.281 6.402 5.787 551 2HD PRO 73 2HD PRO 73 21.759 6.807 7.423 552 H GLY 74 H GLY 74 18.762 5.817 5.327 553 1HA GLY 74 1HA GLY 74 17.103 6.917 3.262 554 2HA GLY 74 2HA GLY 74 17.742 5.289 3.374 555 H SER 75 H SER 75 16.676 4.809 6.131 556 HA SER 75 HA SER 75 14.449 3.482 5.597 557 1HB SER 75 1HB SER 75 13.808 3.930 8.062 558 2HB SER 75 2HB SER 75 15.380 3.217 7.757 559 HG SER 75 HG SER 75 15.778 5.862 7.661 560 H HIS 76 H HIS 76 12.148 3.850 5.649 561 HA HIS 76 HA HIS 76 11.445 6.691 5.469 562 1HB HIS 76 1HB HIS 76 10.054 4.409 4.048 563 2HB HIS 76 2HB HIS 76 9.779 6.126 3.831 564 HD1 HIS 76 HD1 HIS 76 10.720 6.872 1.653 565 HD2 HIS 76 HD2 HIS 76 13.126 3.963 3.481 566 HE1 HIS 76 HE1 HIS 76 12.717 6.520 0.104 567 HA PRO 77 HA PRO 77 9.179 5.135 8.992 568 1HB PRO 77 1HB PRO 77 9.385 7.391 10.520 569 2HB PRO 77 2HB PRO 77 10.535 6.071 10.600 570 1HG PRO 77 1HG PRO 77 10.845 8.724 9.334 571 2HG PRO 77 2HG PRO 77 12.086 7.576 9.795 572 1HD PRO 77 1HD PRO 77 11.111 8.078 7.144 573 2HD PRO 77 2HD PRO 77 12.268 6.851 7.620 574 H ASP 78 H ASP 78 8.735 7.614 6.777 575 HA ASP 78 HA ASP 78 6.200 8.358 7.882 576 1HB ASP 78 1HB ASP 78 7.679 9.097 5.318 577 2HB ASP 78 2HB ASP 78 6.080 9.709 5.688 578 H GLN 79 H GLN 79 7.626 6.491 5.144 579 HA GLN 79 HA GLN 79 5.008 5.880 4.130 580 1HB GLN 79 1HB GLN 79 7.761 4.943 3.205 581 2HB GLN 79 2HB GLN 79 6.258 4.675 2.345 582 1HG GLN 79 1HG GLN 79 6.057 6.909 1.694 583 2HG GLN 79 2HG GLN 79 6.908 7.513 3.102 584 1HE2 GLN 79 1HE2 GLN 79 7.437 5.428 0.264 585 2HE2 GLN 79 2HE2 GLN 79 9.027 5.991 -0.131 586 H GLN 80 H GLN 80 7.268 4.638 6.431 587 HA GLN 80 HA GLN 80 7.097 1.960 6.168 588 1HB GLN 80 1HB GLN 80 7.549 3.865 8.382 589 2HB GLN 80 2HB GLN 80 6.918 2.324 8.928 590 1HG GLN 80 1HG GLN 80 8.760 1.106 8.052 591 2HG GLN 80 2HG GLN 80 9.200 2.381 6.933 592 1HE2 GLN 80 1HE2 GLN 80 11.220 2.823 7.510 593 2HE2 GLN 80 2HE2 GLN 80 11.740 3.372 9.069 594 HA PRO 81 HA PRO 81 2.920 2.108 8.427 595 1HB PRO 81 1HB PRO 81 1.611 4.493 8.686 596 2HB PRO 81 2HB PRO 81 2.609 3.805 9.951 597 1HG PRO 81 1HG PRO 81 3.211 6.058 8.134 598 2HG PRO 81 2HG PRO 81 3.982 5.634 9.649 599 1HD PRO 81 1HD PRO 81 5.013 5.177 7.011 600 2HD PRO 81 2HD PRO 81 5.728 4.651 8.522 601 H TYR 82 H TYR 82 3.497 4.078 5.678 602 HA TYR 82 HA TYR 82 0.864 3.777 4.620 603 1HB TYR 82 1HB TYR 82 3.660 4.579 3.634 604 2HB TYR 82 2HB TYR 82 2.308 4.539 2.521 605 HD1 TYR 82 HD1 TYR 82 1.476 6.639 2.033 606 HD2 TYR 82 HD2 TYR 82 2.841 5.847 6.009 607 HE1 TYR 82 HE1 TYR 82 0.841 9.001 2.729 608 HE2 TYR 82 HE2 TYR 82 2.201 8.211 6.692 609 HH TYR 82 HH TYR 82 1.690 10.233 5.903 610 H ILE 83 H ILE 83 4.095 2.263 3.954 611 HA ILE 83 HA ILE 83 3.023 0.529 1.980 612 HB ILE 83 HB ILE 83 5.362 1.347 2.083 613 1HG1 ILE 83 1HG1 ILE 83 6.387 -0.887 1.497 614 2HG1 ILE 83 2HG1 ILE 83 4.884 -1.643 1.988 615 1HG2 ILE 83 1HG2 ILE 83 5.788 1.188 4.456 616 2HG2 ILE 83 2HG2 ILE 83 5.580 -0.580 4.412 617 3HG2 ILE 83 3HG2 ILE 83 6.955 0.176 3.571 618 1HD1 ILE 83 1HD1 ILE 83 4.664 0.668 0.083 619 2HD1 ILE 83 2HD1 ILE 83 5.333 -0.854 -0.554 620 3HD1 ILE 83 3HD1 ILE 83 3.706 -0.830 0.167 621 H THR 84 H THR 84 3.419 0.448 5.507 622 HA THR 84 HA THR 84 3.204 -2.318 5.869 623 HB THR 84 HB THR 84 2.619 0.166 7.532 624 HG1 THR 84 HG1 THR 84 4.486 -2.095 7.430 625 1HG2 THR 84 1HG2 THR 84 1.604 -2.508 8.041 626 2HG2 THR 84 2HG2 THR 84 2.928 -2.166 9.181 627 3HG2 THR 84 3HG2 THR 84 1.520 -1.079 9.099 628 H VAL 85 H VAL 85 0.640 0.242 5.830 629 HA VAL 85 HA VAL 85 -1.485 -1.452 6.312 630 HB VAL 85 HB VAL 85 -1.175 1.150 4.832 631 1HG1 VAL 85 1HG1 VAL 85 -3.762 -0.350 5.362 632 2HG1 VAL 85 2HG1 VAL 85 -3.649 1.345 4.829 633 3HG1 VAL 85 3HG1 VAL 85 -3.060 0.039 3.773 634 1HG2 VAL 85 1HG2 VAL 85 -1.749 2.162 6.790 635 2HG2 VAL 85 2HG2 VAL 85 -2.835 0.842 7.286 636 3HG2 VAL 85 3HG2 VAL 85 -1.074 0.664 7.474 637 H TRP 86 H TRP 86 0.161 -0.577 3.221 638 HA TRP 86 HA TRP 86 -1.565 -1.768 1.458 639 1HB TRP 86 1HB TRP 86 1.323 -1.107 1.492 640 2HB TRP 86 2HB TRP 86 0.812 -2.275 0.290 641 HD1 TRP 86 HD1 TRP 86 0.060 1.399 1.317 642 HE1 TRP 86 HE1 TRP 86 -0.856 2.777 -0.738 643 HE3 TRP 86 HE3 TRP 86 -0.230 -2.551 -1.872 644 HZ2 TRP 86 HZ2 TRP 86 -1.583 2.076 -3.408 645 HZ3 TRP 86 HZ3 TRP 86 -1.054 -2.118 -4.185 646 HH2 TRP 86 HH2 TRP 86 -1.717 0.100 -4.969 647 H GLN 87 H GLN 87 1.195 -3.210 3.323 648 HA GLN 87 HA GLN 87 1.019 -5.732 2.285 649 1HB GLN 87 1HB GLN 87 2.869 -4.948 3.719 650 2HB GLN 87 2HB GLN 87 1.798 -4.860 5.102 651 1HG GLN 87 1HG GLN 87 1.371 -7.463 4.284 652 2HG GLN 87 2HG GLN 87 3.047 -7.245 3.822 653 1HE2 GLN 87 1HE2 GLN 87 4.325 -8.059 5.287 654 2HE2 GLN 87 2HE2 GLN 87 4.193 -7.899 7.007 655 H ASP 88 H ASP 88 -1.002 -4.088 4.705 656 HA ASP 88 HA ASP 88 -2.150 -6.406 5.756 657 1HB ASP 88 1HB ASP 88 -2.181 -3.840 6.512 658 2HB ASP 88 2HB ASP 88 -3.652 -3.786 5.561 659 H LEU 89 H LEU 89 -2.936 -4.134 3.063 660 HA LEU 89 HA LEU 89 -5.483 -5.016 2.469 661 1HB LEU 89 1HB LEU 89 -3.280 -3.685 0.962 662 2HB LEU 89 2HB LEU 89 -4.649 -4.301 0.059 663 HG LEU 89 HG LEU 89 -5.324 -2.148 0.420 664 1HD1 LEU 89 1HD1 LEU 89 -7.165 -2.173 1.825 665 2HD1 LEU 89 2HD1 LEU 89 -6.874 -3.906 1.539 666 3HD1 LEU 89 3HD1 LEU 89 -6.344 -3.154 3.063 667 1HD2 LEU 89 1HD2 LEU 89 -4.224 -0.746 1.742 668 2HD2 LEU 89 2HD2 LEU 89 -4.780 -1.604 3.200 669 3HD2 LEU 89 3HD2 LEU 89 -3.296 -2.130 2.369 670 H VAL 90 H VAL 90 -2.268 -6.322 1.509 671 HA VAL 90 HA VAL 90 -3.343 -8.263 -0.240 672 HB VAL 90 HB VAL 90 -0.694 -8.060 1.204 673 1HG1 VAL 90 1HG1 VAL 90 -1.057 -9.645 -1.315 674 2HG1 VAL 90 2HG1 VAL 90 0.133 -9.835 -0.005 675 3HG1 VAL 90 3HG1 VAL 90 -1.547 -10.372 0.234 676 1HG2 VAL 90 1HG2 VAL 90 -0.005 -7.427 -1.239 677 2HG2 VAL 90 2HG2 VAL 90 -1.730 -7.028 -1.426 678 3HG2 VAL 90 3HG2 VAL 90 -0.755 -6.203 -0.187 679 H GLN 91 H GLN 91 -2.046 -8.438 3.151 680 HA GLN 91 HA GLN 91 -2.475 -11.061 3.587 681 1HB GLN 91 1HB GLN 91 -2.618 -8.638 5.393 682 2HB GLN 91 2HB GLN 91 -2.971 -10.224 6.049 683 1HG GLN 91 1HG GLN 91 -0.465 -9.853 4.393 684 2HG GLN 91 2HG GLN 91 -0.478 -9.280 6.049 685 1HE2 GLN 91 1HE2 GLN 91 1.267 -10.948 6.084 686 2HE2 GLN 91 2HE2 GLN 91 0.841 -12.571 6.514 687 H ASN 92 H ASN 92 -4.800 -8.497 4.723 688 HA ASN 92 HA ASN 92 -6.858 -10.506 4.699 689 1HB ASN 92 1HB ASN 92 -6.477 -7.775 5.892 690 2HB ASN 92 2HB ASN 92 -8.127 -8.193 5.477 691 1HD2 ASN 92 1HD2 ASN 92 -5.295 -9.096 7.336 692 2HD2 ASN 92 2HD2 ASN 92 -6.084 -10.090 8.515 693 H SER 93 H SER 93 -6.836 -10.638 2.247 694 HA SER 93 HA SER 93 -7.209 -8.511 0.595 695 1HB SER 93 1HB SER 93 -7.708 -10.088 -1.071 696 2HB SER 93 2HB SER 93 -6.818 -11.047 0.094 697 HG SER 93 HG SER 93 -8.643 -12.103 0.715 698 HA PRO 94 HA PRO 94 -11.283 -7.373 1.840 699 1HB PRO 94 1HB PRO 94 -11.393 -4.994 0.499 700 2HB PRO 94 2HB PRO 94 -10.707 -5.160 2.103 701 1HG PRO 94 1HG PRO 94 -9.315 -4.822 -0.483 702 2HG PRO 94 2HG PRO 94 -8.698 -4.566 1.138 703 1HD PRO 94 1HD PRO 94 -8.166 -6.812 -0.565 704 2HD PRO 94 2HD PRO 94 -7.646 -6.609 1.096 705 HA PRO 95 HA PRO 95 -13.809 -8.492 -1.380 706 1HB PRO 95 1HB PRO 95 -16.165 -7.207 -0.863 707 2HB PRO 95 2HB PRO 95 -15.674 -8.675 -0.041 708 1HG PRO 95 1HG PRO 95 -15.684 -5.898 0.973 709 2HG PRO 95 2HG PRO 95 -15.611 -7.397 1.878 710 1HD PRO 95 1HD PRO 95 -13.433 -5.611 1.336 711 2HD PRO 95 2HD PRO 95 -13.339 -7.166 2.140 712 H TRP 96 H TRP 96 -13.233 -5.144 -0.911 713 HA TRP 96 HA TRP 96 -14.356 -4.425 -3.456 714 1HB TRP 96 1HB TRP 96 -13.182 -2.223 -2.890 715 2HB TRP 96 2HB TRP 96 -14.546 -2.727 -1.911 716 HD1 TRP 96 HD1 TRP 96 -13.955 -3.568 0.649 717 HE1 TRP 96 HE1 TRP 96 -11.953 -3.098 2.303 718 HE3 TRP 96 HE3 TRP 96 -10.742 -1.844 -2.895 719 HZ2 TRP 96 HZ2 TRP 96 -9.310 -2.080 1.952 720 HZ3 TRP 96 HZ3 TRP 96 -8.470 -1.132 -2.155 721 HH2 TRP 96 HH2 TRP 96 -7.737 -1.229 0.174 722 H ILE 97 H ILE 97 -11.578 -6.057 -2.364 723 HA ILE 97 HA ILE 97 -9.967 -5.051 -4.596 724 HB ILE 97 HB ILE 97 -9.369 -6.182 -1.921 725 1HG1 ILE 97 1HG1 ILE 97 -8.157 -4.049 -3.697 726 2HG1 ILE 97 2HG1 ILE 97 -9.134 -3.812 -2.262 727 1HG2 ILE 97 1HG2 ILE 97 -7.114 -6.884 -2.604 728 2HG2 ILE 97 2HG2 ILE 97 -8.384 -7.886 -3.347 729 3HG2 ILE 97 3HG2 ILE 97 -7.559 -6.636 -4.309 730 1HD1 ILE 97 1HD1 ILE 97 -7.355 -5.031 -0.921 731 2HD1 ILE 97 2HD1 ILE 97 -6.347 -5.045 -2.388 732 3HD1 ILE 97 3HD1 ILE 97 -6.808 -3.497 -1.639 733 H LYS 98 H LYS 98 -10.665 -8.194 -2.899 734 HA LYS 98 HA LYS 98 -10.832 -9.395 -5.573 735 1HB LYS 98 1HB LYS 98 -9.270 -10.302 -3.165 736 2HB LYS 98 2HB LYS 98 -9.878 -11.479 -4.311 737 1HG LYS 98 1HG LYS 98 -8.743 -9.403 -5.896 738 2HG LYS 98 2HG LYS 98 -7.613 -9.652 -4.580 739 1HD LYS 98 1HD LYS 98 -7.434 -12.037 -5.082 740 2HD LYS 98 2HD LYS 98 -8.747 -11.948 -6.239 741 1HE LYS 98 1HE LYS 98 -7.441 -10.695 -7.810 742 2HE LYS 98 2HE LYS 98 -6.253 -10.247 -6.602 743 1HZ LYS 98 1HZ LYS 98 -6.709 -13.028 -7.421 744 2HZ LYS 98 2HZ LYS 98 -5.591 -12.065 -8.120 745 3HZ LYS 98 3HZ LYS 98 -5.465 -12.446 -6.537 746 H SER 99 H SER 99 -12.841 -10.144 -5.948 747 HA SER 99 HA SER 99 -14.204 -11.390 -3.721 748 1HB SER 99 1HB SER 99 -14.962 -8.973 -3.908 749 2HB SER 99 2HB SER 99 -15.556 -9.330 -5.517 750 HG SER 99 HG SER 99 -17.083 -10.780 -4.664 751 H GLY 100 H GLY 100 -15.600 -13.111 -4.372 752 1HA GLY 100 1HA GLY 100 -16.900 -13.806 -6.483 753 2HA GLY 100 2HA GLY 100 -15.302 -13.875 -7.199 754 HA PRO 101 HA PRO 101 -14.851 -17.854 -5.534 755 1HB PRO 101 1HB PRO 101 -12.135 -18.157 -5.552 756 2HB PRO 101 2HB PRO 101 -13.131 -18.351 -6.981 757 1HG PRO 101 1HG PRO 101 -11.359 -16.101 -6.249 758 2HG PRO 101 2HG PRO 101 -12.016 -16.514 -7.820 759 1HD PRO 101 1HD PRO 101 -12.919 -14.421 -6.079 760 2HD PRO 101 2HD PRO 101 -13.648 -14.910 -7.596 761 H SER 102 H SER 102 -15.642 -18.115 -3.525 762 HA SER 102 HA SER 102 -13.789 -18.320 -1.489 763 1HB SER 102 1HB SER 102 -14.238 -16.415 -0.085 764 2HB SER 102 2HB SER 102 -13.831 -15.793 -1.672 765 HG SER 102 HG SER 102 -16.007 -15.338 -2.091 766 H SER 103 H SER 103 -14.735 -20.025 -0.436 767 HA SER 103 HA SER 103 -17.568 -19.754 0.159 768 1HB SER 103 1HB SER 103 -17.245 -21.293 -1.802 769 2HB SER 103 2HB SER 103 -16.222 -22.314 -0.812 770 HG SER 103 HG SER 103 -18.577 -22.920 -1.008 771 H GLY 104 H GLY 104 -17.506 -19.489 2.377 772 1HA GLY 104 1HA GLY 104 -15.603 -20.089 4.165 773 2HA GLY 104 2HA GLY 104 -17.315 -20.176 4.529 Start of MODEL 6 1 1H GLY 0 1H GLY 0 -3.811 -11.512 -10.556 2 1HA GLY 0 1HA GLY 0 -5.419 -10.424 -12.375 3 2HA GLY 0 2HA GLY 0 -4.287 -11.701 -12.774 4 H SER 1 H SER 1 -6.974 -11.079 -13.952 5 HA SER 1 HA SER 1 -7.873 -13.728 -14.080 6 1HB SER 1 1HB SER 1 -9.067 -13.515 -12.076 7 2HB SER 1 2HB SER 1 -9.372 -11.805 -12.309 8 HG SER 1 HG SER 1 -11.147 -13.603 -12.701 9 H SER 2 H SER 2 -7.459 -13.178 -16.330 10 HA SER 2 HA SER 2 -7.881 -12.361 -18.306 11 1HB SER 2 1HB SER 2 -10.248 -12.392 -19.030 12 2HB SER 2 2HB SER 2 -9.867 -13.790 -18.045 13 HG SER 2 HG SER 2 -11.725 -13.101 -17.110 14 H GLY 3 H GLY 3 -6.772 -10.301 -17.833 15 1HA GLY 3 1HA GLY 3 -6.636 -8.059 -17.914 16 2HA GLY 3 2HA GLY 3 -8.278 -8.038 -18.527 17 H SER 4 H SER 4 -7.459 -5.979 -16.856 18 HA SER 4 HA SER 4 -9.379 -6.173 -14.836 19 1HB SER 4 1HB SER 4 -7.330 -7.489 -13.890 20 2HB SER 4 2HB SER 4 -6.558 -5.923 -13.738 21 HG SER 4 HG SER 4 -8.710 -5.342 -12.569 22 H SER 5 H SER 5 -10.202 -4.148 -15.271 23 HA SER 5 HA SER 5 -8.432 -2.051 -16.021 24 1HB SER 5 1HB SER 5 -10.701 -0.725 -15.892 25 2HB SER 5 2HB SER 5 -10.465 -1.907 -17.163 26 HG SER 5 HG SER 5 -12.185 -1.982 -14.919 27 H GLY 6 H GLY 6 -9.698 -3.357 -13.073 28 1HA GLY 6 1HA GLY 6 -9.845 -0.954 -11.544 29 2HA GLY 6 2HA GLY 6 -9.811 -2.601 -10.947 30 H THR 7 H THR 7 -8.376 -0.266 -9.856 31 HA THR 7 HA THR 7 -5.646 -1.321 -10.139 32 HB THR 7 HB THR 7 -4.970 1.174 -9.859 33 HG1 THR 7 HG1 THR 7 -7.745 1.344 -10.796 34 1HG2 THR 7 1HG2 THR 7 -6.201 -0.092 -12.290 35 2HG2 THR 7 2HG2 THR 7 -6.020 1.678 -12.329 36 3HG2 THR 7 3HG2 THR 7 -4.592 0.642 -12.093 37 HA PRO 8 HA PRO 8 -5.648 -1.399 -5.851 38 1HB PRO 8 1HB PRO 8 -2.991 -1.151 -5.262 39 2HB PRO 8 2HB PRO 8 -3.719 -2.655 -5.792 40 1HG PRO 8 1HG PRO 8 -2.007 -0.786 -7.314 41 2HG PRO 8 2HG PRO 8 -2.386 -2.460 -7.664 42 1HD PRO 8 1HD PRO 8 -3.491 -0.145 -8.947 43 2HD PRO 8 2HD PRO 8 -3.954 -1.814 -9.216 44 H LEU 9 H LEU 9 -3.542 1.186 -7.011 45 HA LEU 9 HA LEU 9 -3.653 2.719 -4.724 46 1HB LEU 9 1HB LEU 9 -2.570 2.896 -7.277 47 2HB LEU 9 2HB LEU 9 -3.637 4.282 -7.178 48 HG LEU 9 HG LEU 9 -1.332 3.616 -5.333 49 1HD1 LEU 9 1HD1 LEU 9 -1.221 6.239 -6.459 50 2HD1 LEU 9 2HD1 LEU 9 -0.103 4.872 -6.682 51 3HD1 LEU 9 3HD1 LEU 9 -1.498 5.067 -7.770 52 1HD2 LEU 9 1HD2 LEU 9 -3.525 4.680 -4.325 53 2HD2 LEU 9 2HD2 LEU 9 -1.912 5.277 -3.867 54 3HD2 LEU 9 3HD2 LEU 9 -2.880 6.162 -5.070 55 H SER 10 H SER 10 -5.868 2.665 -7.583 56 HA SER 10 HA SER 10 -7.483 4.713 -6.558 57 1HB SER 10 1HB SER 10 -7.251 3.792 -8.996 58 2HB SER 10 2HB SER 10 -8.421 2.582 -8.506 59 HG SER 10 HG SER 10 -9.484 4.403 -9.461 60 H LEU 11 H LEU 11 -7.425 1.147 -6.285 61 HA LEU 11 HA LEU 11 -10.011 0.853 -5.231 62 1HB LEU 11 1HB LEU 11 -7.527 -0.796 -5.361 63 2HB LEU 11 2HB LEU 11 -8.804 -1.291 -4.268 64 HG LEU 11 HG LEU 11 -9.440 -0.707 -7.150 65 1HD1 LEU 11 1HD1 LEU 11 -8.581 -2.622 -7.973 66 2HD1 LEU 11 2HD1 LEU 11 -7.445 -2.448 -6.614 67 3HD1 LEU 11 3HD1 LEU 11 -8.853 -3.527 -6.465 68 1HD2 LEU 11 1HD2 LEU 11 -11.419 -1.707 -6.747 69 2HD2 LEU 11 2HD2 LEU 11 -10.709 -2.933 -5.670 70 3HD2 LEU 11 3HD2 LEU 11 -11.046 -1.297 -5.056 71 H THR 12 H THR 12 -6.776 1.426 -3.747 72 HA THR 12 HA THR 12 -7.736 1.232 -1.083 73 HB THR 12 HB THR 12 -5.435 2.481 -0.750 74 HG1 THR 12 HG1 THR 12 -4.237 2.174 -2.881 75 1HG2 THR 12 1HG2 THR 12 -5.978 -0.261 -1.801 76 2HG2 THR 12 2HG2 THR 12 -4.320 0.325 -2.072 77 3HG2 THR 12 3HG2 THR 12 -4.974 0.240 -0.419 78 H LEU 13 H LEU 13 -6.966 4.055 -3.222 79 HA LEU 13 HA LEU 13 -7.653 5.998 -1.380 80 1HB LEU 13 1HB LEU 13 -7.906 6.063 -4.391 81 2HB LEU 13 2HB LEU 13 -7.908 7.459 -3.332 82 HG LEU 13 HG LEU 13 -5.560 5.623 -3.169 83 1HD1 LEU 13 1HD1 LEU 13 -4.845 5.847 -5.257 84 2HD1 LEU 13 2HD1 LEU 13 -6.429 6.540 -5.677 85 3HD1 LEU 13 3HD1 LEU 13 -5.087 7.610 -5.208 86 1HD2 LEU 13 1HD2 LEU 13 -5.306 7.368 -1.700 87 2HD2 LEU 13 2HD2 LEU 13 -4.484 8.022 -3.137 88 3HD2 LEU 13 3HD2 LEU 13 -6.147 8.530 -2.754 89 H ASP 14 H ASP 14 -9.688 4.260 -3.814 90 HA ASP 14 HA ASP 14 -11.983 5.651 -3.458 91 1HB ASP 14 1HB ASP 14 -11.323 2.792 -4.143 92 2HB ASP 14 2HB ASP 14 -13.002 3.167 -3.807 93 H HIS 15 H HIS 15 -10.284 3.491 -1.271 94 HA HIS 15 HA HIS 15 -12.546 3.659 0.578 95 1HB HIS 15 1HB HIS 15 -10.846 1.263 -0.105 96 2HB HIS 15 2HB HIS 15 -11.652 1.389 1.446 97 HD1 HIS 15 HD1 HIS 15 -14.419 2.347 0.823 98 HD2 HIS 15 HD2 HIS 15 -12.386 -0.347 -1.668 99 HE1 HIS 15 HE1 HIS 15 -16.211 1.121 -0.517 100 H TRP 16 H TRP 16 -10.535 5.608 0.402 101 HA TRP 16 HA TRP 16 -8.238 5.228 1.821 102 1HB TRP 16 1HB TRP 16 -8.804 7.270 0.620 103 2HB TRP 16 2HB TRP 16 -10.052 7.647 1.792 104 HD1 TRP 16 HD1 TRP 16 -9.185 9.548 3.346 105 HE1 TRP 16 HE1 TRP 16 -6.951 10.263 4.555 106 HE3 TRP 16 HE3 TRP 16 -6.353 5.751 1.499 107 HZ2 TRP 16 HZ2 TRP 16 -4.310 9.184 4.602 108 HZ3 TRP 16 HZ3 TRP 16 -3.956 5.654 2.176 109 HH2 TRP 16 HH2 TRP 16 -2.927 7.291 3.672 110 H SER 17 H SER 17 -11.623 5.554 2.945 111 HA SER 17 HA SER 17 -11.175 6.054 5.582 112 1HB SER 17 1HB SER 17 -13.345 4.895 3.944 113 2HB SER 17 2HB SER 17 -13.359 4.316 5.597 114 HG SER 17 HG SER 17 -12.937 7.088 5.353 115 H GLU 18 H GLU 18 -11.242 2.898 3.815 116 HA GLU 18 HA GLU 18 -10.914 1.346 6.109 117 1HB GLU 18 1HB GLU 18 -11.772 0.273 4.157 118 2HB GLU 18 2HB GLU 18 -10.464 0.857 3.148 119 1HG GLU 18 1HG GLU 18 -10.172 -1.550 3.700 120 2HG GLU 18 2HG GLU 18 -8.847 -0.589 4.326 121 H ILE 19 H ILE 19 -8.597 2.698 3.684 122 HA ILE 19 HA ILE 19 -6.321 1.464 4.735 123 HB ILE 19 HB ILE 19 -6.375 4.131 3.345 124 1HG1 ILE 19 1HG1 ILE 19 -7.839 2.947 1.971 125 2HG1 ILE 19 2HG1 ILE 19 -6.277 2.707 1.214 126 1HG2 ILE 19 1HG2 ILE 19 -4.247 3.497 2.484 127 2HG2 ILE 19 2HG2 ILE 19 -4.221 3.191 4.237 128 3HG2 ILE 19 3HG2 ILE 19 -4.419 1.836 3.100 129 1HD1 ILE 19 1HD1 ILE 19 -7.170 0.527 1.243 130 2HD1 ILE 19 2HD1 ILE 19 -6.146 0.536 2.699 131 3HD1 ILE 19 3HD1 ILE 19 -7.907 0.747 2.848 132 H ARG 20 H ARG 20 -8.084 4.464 5.582 133 HA ARG 20 HA ARG 20 -6.059 5.401 7.276 134 1HB ARG 20 1HB ARG 20 -9.027 6.029 6.981 135 2HB ARG 20 2HB ARG 20 -8.055 6.819 8.206 136 1HG ARG 20 1HG ARG 20 -6.423 7.208 6.061 137 2HG ARG 20 2HG ARG 20 -7.957 7.113 5.220 138 1HD ARG 20 1HD ARG 20 -7.909 8.833 7.680 139 2HD ARG 20 2HD ARG 20 -6.992 9.424 6.308 140 HE ARG 20 HE ARG 20 -9.467 8.630 5.245 141 1HH1 ARG 20 1HH1 ARG 20 -8.359 10.928 7.668 142 2HH1 ARG 20 2HH1 ARG 20 -9.678 12.023 7.418 143 1HH2 ARG 20 1HH2 ARG 20 -11.207 10.074 4.915 144 2HH2 ARG 20 2HH2 ARG 20 -11.309 11.533 5.842 145 H SER 21 H SER 21 -8.808 3.171 7.602 146 HA SER 21 HA SER 21 -8.998 3.273 10.381 147 1HB SER 21 1HB SER 21 -10.291 1.936 8.241 148 2HB SER 21 2HB SER 21 -9.678 0.656 9.268 149 HG SER 21 HG SER 21 -11.678 1.163 10.121 150 H ARG 22 H ARG 22 -7.145 1.192 8.079 151 HA ARG 22 HA ARG 22 -6.191 -0.582 9.944 152 1HB ARG 22 1HB ARG 22 -4.679 0.401 7.475 153 2HB ARG 22 2HB ARG 22 -4.500 -1.157 8.257 154 1HG ARG 22 1HG ARG 22 -7.304 -0.694 7.574 155 2HG ARG 22 2HG ARG 22 -6.296 -0.480 6.156 156 1HD ARG 22 1HD ARG 22 -5.187 -2.721 6.714 157 2HD ARG 22 2HD ARG 22 -6.392 -2.937 7.968 158 HE ARG 22 HE ARG 22 -7.546 -2.306 5.347 159 1HH1 ARG 22 1HH1 ARG 22 -6.412 -4.883 7.458 160 2HH1 ARG 22 2HH1 ARG 22 -7.355 -6.109 6.680 161 1HH2 ARG 22 1HH2 ARG 22 -8.791 -3.924 4.320 162 2HH2 ARG 22 2HH2 ARG 22 -8.717 -5.560 4.883 163 H ALA 23 H ALA 23 -5.172 2.715 9.050 164 HA ALA 23 HA ALA 23 -2.610 2.642 10.190 165 1HB ALA 23 1HB ALA 23 -2.569 4.694 9.273 166 2HB ALA 23 2HB ALA 23 -4.268 4.459 8.797 167 3HB ALA 23 3HB ALA 23 -3.878 5.249 10.344 168 H HIS 24 H HIS 24 -5.883 3.418 11.484 169 HA HIS 24 HA HIS 24 -4.952 4.295 13.979 170 1HB HIS 24 1HB HIS 24 -7.316 4.389 12.692 171 2HB HIS 24 2HB HIS 24 -7.640 3.034 13.755 172 HD1 HIS 24 HD1 HIS 24 -8.691 3.723 15.903 173 HD2 HIS 24 HD2 HIS 24 -6.136 6.687 14.391 174 HE1 HIS 24 HE1 HIS 24 -8.821 5.679 17.536 175 H ASN 25 H ASN 25 -5.903 1.088 12.660 176 HA ASN 25 HA ASN 25 -5.793 -0.193 15.146 177 1HB ASN 25 1HB ASN 25 -6.622 -0.873 12.579 178 2HB ASN 25 2HB ASN 25 -5.153 -1.817 12.721 179 1HD2 ASN 25 1HD2 ASN 25 -8.391 -1.326 13.807 180 2HD2 ASN 25 2HD2 ASN 25 -8.555 -2.732 14.804 181 H LEU 26 H LEU 26 -3.475 0.564 12.521 182 HA LEU 26 HA LEU 26 -1.424 -1.124 13.635 183 1HB LEU 26 1HB LEU 26 -1.496 0.813 11.322 184 2HB LEU 26 2HB LEU 26 -0.058 -0.065 11.804 185 HG LEU 26 HG LEU 26 -2.658 -1.360 10.939 186 1HD1 LEU 26 1HD1 LEU 26 -1.786 -0.255 9.030 187 2HD1 LEU 26 2HD1 LEU 26 -0.123 -0.767 9.402 188 3HD1 LEU 26 3HD1 LEU 26 -1.328 -1.969 8.881 189 1HD2 LEU 26 1HD2 LEU 26 -1.148 -3.389 10.707 190 2HD2 LEU 26 2HD2 LEU 26 0.048 -2.487 11.669 191 3HD2 LEU 26 3HD2 LEU 26 -1.544 -2.874 12.365 192 H SER 27 H SER 27 -2.775 1.909 14.359 193 HA SER 27 HA SER 27 -2.200 3.463 15.764 194 1HB SER 27 1HB SER 27 0.400 2.007 16.377 195 2HB SER 27 2HB SER 27 -0.459 3.134 17.408 196 HG SER 27 HG SER 27 -2.237 1.222 16.866 197 H VAL 28 H VAL 28 -1.616 3.788 13.020 198 HA VAL 28 HA VAL 28 0.668 5.594 13.214 199 HB VAL 28 HB VAL 28 1.368 4.818 10.926 200 1HG1 VAL 28 1HG1 VAL 28 2.319 2.550 11.965 201 2HG1 VAL 28 2HG1 VAL 28 2.897 4.149 12.491 202 3HG1 VAL 28 3HG1 VAL 28 1.690 3.274 13.464 203 1HG2 VAL 28 1HG2 VAL 28 -0.813 3.584 10.497 204 2HG2 VAL 28 2HG2 VAL 28 0.679 2.708 10.075 205 3HG2 VAL 28 3HG2 VAL 28 -0.197 2.306 11.572 206 H GLU 29 H GLU 29 0.557 7.374 11.693 207 HA GLU 29 HA GLU 29 -2.160 7.690 10.679 208 1HB GLU 29 1HB GLU 29 -0.370 9.456 12.211 209 2HB GLU 29 2HB GLU 29 -1.001 10.242 10.778 210 1HG GLU 29 1HG GLU 29 -2.907 8.672 12.524 211 2HG GLU 29 2HG GLU 29 -2.380 10.253 13.067 212 H ILE 30 H ILE 30 -2.474 8.444 8.535 213 HA ILE 30 HA ILE 30 -0.085 9.016 6.980 214 HB ILE 30 HB ILE 30 -0.743 7.426 5.233 215 1HG1 ILE 30 1HG1 ILE 30 -2.804 6.524 7.261 216 2HG1 ILE 30 2HG1 ILE 30 -3.102 7.186 5.666 217 1HG2 ILE 30 1HG2 ILE 30 0.461 5.706 6.122 218 2HG2 ILE 30 2HG2 ILE 30 0.824 6.967 7.325 219 3HG2 ILE 30 3HG2 ILE 30 -0.415 5.737 7.671 220 1HD1 ILE 30 1HD1 ILE 30 -3.176 4.586 5.981 221 2HD1 ILE 30 2HD1 ILE 30 -2.329 5.243 4.560 222 3HD1 ILE 30 3HD1 ILE 30 -1.399 4.696 5.976 223 H LYS 31 H LYS 31 -0.805 9.726 4.666 224 HA LYS 31 HA LYS 31 -3.361 11.150 4.920 225 1HB LYS 31 1HB LYS 31 -0.636 12.176 4.335 226 2HB LYS 31 2HB LYS 31 -1.923 12.804 3.325 227 1HG LYS 31 1HG LYS 31 -2.906 12.763 6.031 228 2HG LYS 31 2HG LYS 31 -1.304 13.470 6.072 229 1HD LYS 31 1HD LYS 31 -2.996 14.441 3.825 230 2HD LYS 31 2HD LYS 31 -3.626 14.835 5.412 231 1HE LYS 31 1HE LYS 31 -1.324 15.755 6.019 232 2HE LYS 31 2HE LYS 31 -0.838 15.500 4.355 233 1HZ LYS 31 1HZ LYS 31 -3.203 17.083 5.055 234 2HZ LYS 31 2HZ LYS 31 -1.717 17.746 4.919 235 3HZ LYS 31 3HZ LYS 31 -2.416 17.037 3.625 236 H LYS 32 H LYS 32 -4.195 11.856 2.675 237 HA LYS 32 HA LYS 32 -3.991 9.511 0.975 238 1HB LYS 32 1HB LYS 32 -6.211 10.286 1.632 239 2HB LYS 32 2HB LYS 32 -5.893 11.873 0.960 240 1HG LYS 32 1HG LYS 32 -6.181 11.167 -1.216 241 2HG LYS 32 2HG LYS 32 -5.417 9.616 -0.929 242 1HD LYS 32 1HD LYS 32 -7.457 8.641 -0.795 243 2HD LYS 32 2HD LYS 32 -7.824 9.613 0.616 244 1HE LYS 32 1HE LYS 32 -9.462 9.851 -1.341 245 2HE LYS 32 2HE LYS 32 -8.829 11.356 -0.703 246 1HZ LYS 32 1HZ LYS 32 -8.774 10.845 -3.228 247 2HZ LYS 32 2HZ LYS 32 -7.550 11.670 -2.528 248 3HZ LYS 32 3HZ LYS 32 -7.376 10.081 -2.866 249 H GLY 33 H GLY 33 -2.835 12.803 1.228 250 1HA GLY 33 1HA GLY 33 -2.425 13.295 -1.541 251 2HA GLY 33 2HA GLY 33 -1.696 14.137 -0.188 252 HA PRO 34 HA PRO 34 1.933 11.735 -0.538 253 1HB PRO 34 1HB PRO 34 2.456 10.518 1.852 254 2HB PRO 34 2HB PRO 34 2.757 12.219 1.557 255 1HG PRO 34 1HG PRO 34 0.581 10.965 3.116 256 2HG PRO 34 2HG PRO 34 1.144 12.624 3.156 257 1HD PRO 34 1HD PRO 34 -1.228 11.647 1.872 258 2HD PRO 34 2HD PRO 34 -0.603 13.284 1.815 259 H TRP 35 H TRP 35 -0.562 9.734 0.876 260 HA TRP 35 HA TRP 35 0.503 7.267 0.406 261 1HB TRP 35 1HB TRP 35 -1.534 7.533 1.612 262 2HB TRP 35 2HB TRP 35 -2.344 8.250 0.233 263 HD1 TRP 35 HD1 TRP 35 -2.886 6.475 -1.876 264 HE1 TRP 35 HE1 TRP 35 -3.453 3.898 -1.918 265 HE3 TRP 35 HE3 TRP 35 -1.047 5.459 2.755 266 HZ2 TRP 35 HZ2 TRP 35 -3.078 1.772 -0.052 267 HZ3 TRP 35 HZ3 TRP 35 -1.187 3.107 3.569 268 HH2 TRP 35 HH2 TRP 35 -2.159 1.295 2.248 269 H ARG 36 H ARG 36 -1.038 9.597 -1.860 270 HA ARG 36 HA ARG 36 -0.979 7.744 -3.997 271 1HB ARG 36 1HB ARG 36 -2.656 9.577 -3.891 272 2HB ARG 36 2HB ARG 36 -1.381 10.778 -3.952 273 1HG ARG 36 1HG ARG 36 -1.770 10.749 -6.209 274 2HG ARG 36 2HG ARG 36 -0.757 9.319 -6.190 275 1HD ARG 36 1HD ARG 36 -2.546 8.256 -7.136 276 2HD ARG 36 2HD ARG 36 -3.222 8.239 -5.519 277 HE ARG 36 HE ARG 36 -4.733 9.930 -6.141 278 1HH1 ARG 36 1HH1 ARG 36 -2.218 9.635 -8.583 279 2HH1 ARG 36 2HH1 ARG 36 -3.015 10.677 -9.714 280 1HH2 ARG 36 1HH2 ARG 36 -5.786 11.305 -7.632 281 2HH2 ARG 36 2HH2 ARG 36 -5.058 11.633 -9.169 282 H THR 37 H THR 37 0.906 10.684 -3.013 283 HA THR 37 HA THR 37 2.613 10.795 -5.196 284 HB THR 37 HB THR 37 2.943 11.552 -2.249 285 HG1 THR 37 HG1 THR 37 1.559 13.067 -3.081 286 1HG2 THR 37 1HG2 THR 37 4.967 11.508 -4.263 287 2HG2 THR 37 2HG2 THR 37 4.396 13.192 -4.181 288 3HG2 THR 37 3HG2 THR 37 5.017 12.391 -2.718 289 H PHE 38 H PHE 38 3.084 9.059 -2.049 290 HA PHE 38 HA PHE 38 5.563 8.017 -2.670 291 1HB PHE 38 1HB PHE 38 3.152 7.127 -1.002 292 2HB PHE 38 2HB PHE 38 4.614 6.160 -1.014 293 HD1 PHE 38 HD1 PHE 38 3.098 7.921 1.198 294 HD2 PHE 38 HD2 PHE 38 6.660 8.349 -1.068 295 HE1 PHE 38 HE1 PHE 38 4.071 9.369 3.002 296 HE2 PHE 38 HE2 PHE 38 7.634 9.798 0.736 297 HZ PHE 38 HZ PHE 38 6.328 10.290 2.750 298 H CYS 39 H CYS 39 2.338 7.112 -3.802 299 HA CYS 39 HA CYS 39 3.479 4.686 -4.971 300 1HB CYS 39 1HB CYS 39 1.386 4.587 -3.464 301 2HB CYS 39 2HB CYS 39 0.529 5.322 -4.804 302 HG CYS 39 HG CYS 39 1.955 3.429 -6.460 303 H ALA 40 H ALA 40 3.521 7.761 -5.725 304 HA ALA 40 HA ALA 40 2.192 7.585 -8.318 305 1HB ALA 40 1HB ALA 40 1.777 9.561 -6.887 306 2HB ALA 40 2HB ALA 40 3.521 9.915 -6.874 307 3HB ALA 40 3HB ALA 40 2.604 10.013 -8.396 308 H SER 41 H SER 41 5.407 8.453 -6.858 309 HA SER 41 HA SER 41 6.688 7.073 -8.993 310 1HB SER 41 1HB SER 41 6.129 9.681 -9.574 311 2HB SER 41 2HB SER 41 7.661 9.893 -8.751 312 HG SER 41 HG SER 41 8.572 9.322 -10.595 313 H GLU 42 H GLU 42 6.482 6.804 -6.100 314 HA GLU 42 HA GLU 42 9.217 7.508 -5.363 315 1HB GLU 42 1HB GLU 42 7.175 8.523 -4.066 316 2HB GLU 42 2HB GLU 42 7.021 6.930 -3.353 317 1HG GLU 42 1HG GLU 42 8.459 7.911 -1.808 318 2HG GLU 42 2HG GLU 42 9.636 7.206 -2.898 319 H TRP 43 H TRP 43 6.560 5.073 -4.958 320 HA TRP 43 HA TRP 43 8.349 3.113 -3.904 321 1HB TRP 43 1HB TRP 43 5.466 3.143 -4.749 322 2HB TRP 43 2HB TRP 43 6.279 1.629 -4.402 323 HD1 TRP 43 HD1 TRP 43 7.981 3.404 -1.926 324 HE1 TRP 43 HE1 TRP 43 6.816 3.585 0.434 325 HE3 TRP 43 HE3 TRP 43 3.309 2.240 -3.559 326 HZ2 TRP 43 HZ2 TRP 43 4.131 3.229 1.333 327 HZ3 TRP 43 HZ3 TRP 43 1.472 2.179 -1.875 328 HH2 TRP 43 HH2 TRP 43 1.824 2.649 0.497 329 HA PRO 44 HA PRO 44 7.917 1.679 -8.419 330 1HB PRO 44 1HB PRO 44 6.968 3.431 -10.289 331 2HB PRO 44 2HB PRO 44 5.965 2.223 -9.512 332 1HG PRO 44 1HG PRO 44 6.064 5.139 -9.032 333 2HG PRO 44 2HG PRO 44 4.810 3.996 -8.594 334 1HD PRO 44 1HD PRO 44 6.770 5.146 -6.844 335 2HD PRO 44 2HD PRO 44 5.591 3.917 -6.433 336 H THR 45 H THR 45 9.357 4.268 -7.129 337 HA THR 45 HA THR 45 11.288 4.383 -9.354 338 HB THR 45 HB THR 45 11.754 6.711 -8.434 339 HG1 THR 45 HG1 THR 45 10.886 6.267 -6.290 340 1HG2 THR 45 1HG2 THR 45 8.761 6.404 -8.932 341 2HG2 THR 45 2HG2 THR 45 9.814 7.773 -9.365 342 3HG2 THR 45 3HG2 THR 45 9.937 6.238 -10.258 343 H PHE 46 H PHE 46 10.993 2.475 -6.977 344 HA PHE 46 HA PHE 46 13.421 3.193 -5.530 345 1HB PHE 46 1HB PHE 46 10.944 1.555 -5.164 346 2HB PHE 46 2HB PHE 46 12.386 0.740 -4.592 347 HD1 PHE 46 HD1 PHE 46 9.847 2.045 -3.151 348 HD2 PHE 46 HD2 PHE 46 13.923 3.134 -3.610 349 HE1 PHE 46 HE1 PHE 46 9.738 3.354 -1.013 350 HE2 PHE 46 HE2 PHE 46 13.814 4.443 -1.472 351 HZ PHE 46 HZ PHE 46 11.723 4.537 -0.198 352 H ASP 47 H ASP 47 12.486 1.491 -8.313 353 HA ASP 47 HA ASP 47 13.516 0.106 -9.625 354 1HB ASP 47 1HB ASP 47 15.673 1.250 -8.051 355 2HB ASP 47 2HB ASP 47 16.045 -0.431 -8.373 356 H VAL 48 H VAL 48 12.107 -1.681 -8.998 357 HA VAL 48 HA VAL 48 13.479 -3.876 -7.831 358 HB VAL 48 HB VAL 48 11.506 -4.073 -6.082 359 1HG1 VAL 48 1HG1 VAL 48 13.083 -3.722 -4.464 360 2HG1 VAL 48 2HG1 VAL 48 14.155 -3.775 -5.885 361 3HG1 VAL 48 3HG1 VAL 48 13.664 -2.208 -5.197 362 1HG2 VAL 48 1HG2 VAL 48 10.446 -2.191 -5.432 363 2HG2 VAL 48 2HG2 VAL 48 11.899 -1.182 -5.625 364 3HG2 VAL 48 3HG2 VAL 48 10.901 -1.585 -7.042 365 H GLY 49 H GLY 49 10.356 -2.338 -8.775 366 1HA GLY 49 1HA GLY 49 9.528 -3.513 -10.878 367 2HA GLY 49 2HA GLY 49 9.483 -4.939 -9.861 368 H TRP 50 H TRP 50 8.714 -1.531 -8.930 369 HA TRP 50 HA TRP 50 6.042 -2.484 -8.185 370 1HB TRP 50 1HB TRP 50 7.270 -1.658 -6.313 371 2HB TRP 50 2HB TRP 50 7.741 -0.205 -7.172 372 HD1 TRP 50 HD1 TRP 50 5.660 1.620 -7.643 373 HE1 TRP 50 HE1 TRP 50 3.487 2.220 -6.271 374 HE3 TRP 50 HE3 TRP 50 5.592 -2.646 -4.878 375 HZ2 TRP 50 HZ2 TRP 50 2.016 0.873 -4.230 376 HZ3 TRP 50 HZ3 TRP 50 3.754 -2.925 -3.218 377 HH2 TRP 50 HH2 TRP 50 2.006 -1.252 -2.872 378 HA PRO 51 HA PRO 51 4.746 -0.054 -11.594 379 1HB PRO 51 1HB PRO 51 2.076 -0.620 -11.448 380 2HB PRO 51 2HB PRO 51 3.231 -1.651 -12.269 381 1HG PRO 51 1HG PRO 51 1.918 -2.055 -9.651 382 2HG PRO 51 2HG PRO 51 2.722 -3.233 -10.670 383 1HD PRO 51 1HD PRO 51 3.766 -2.029 -8.285 384 2HD PRO 51 2HD PRO 51 4.612 -3.118 -9.366 385 HA PRO 52 HA PRO 52 3.312 3.630 -10.055 386 1HB PRO 52 1HB PRO 52 1.934 4.747 -12.134 387 2HB PRO 52 2HB PRO 52 3.683 4.766 -12.023 388 1HG PRO 52 1HG PRO 52 1.953 3.103 -13.750 389 2HG PRO 52 2HG PRO 52 3.663 3.446 -13.915 390 1HD PRO 52 1HD PRO 52 2.486 1.019 -12.939 391 2HD PRO 52 2HD PRO 52 4.194 1.407 -12.996 392 H GLU 53 H GLU 53 0.839 1.670 -11.545 393 HA GLU 53 HA GLU 53 -1.223 3.053 -10.186 394 1HB GLU 53 1HB GLU 53 -1.118 0.446 -11.750 395 2HB GLU 53 2HB GLU 53 -2.593 1.012 -10.991 396 1HG GLU 53 1HG GLU 53 -2.770 1.904 -13.166 397 2HG GLU 53 2HG GLU 53 -2.145 3.263 -12.254 398 H GLY 54 H GLY 54 1.161 0.819 -9.213 399 1HA GLY 54 1HA GLY 54 1.446 0.111 -7.030 400 2HA GLY 54 2HA GLY 54 -0.264 0.332 -6.712 401 H THR 55 H THR 55 0.607 -1.973 -5.740 402 HA THR 55 HA THR 55 -0.734 -3.925 -7.342 403 HB THR 55 HB THR 55 1.608 -3.783 -8.368 404 HG1 THR 55 HG1 THR 55 0.474 -5.772 -8.521 405 1HG2 THR 55 1HG2 THR 55 2.931 -3.419 -6.281 406 2HG2 THR 55 2HG2 THR 55 2.343 -4.972 -5.640 407 3HG2 THR 55 3HG2 THR 55 3.407 -4.944 -7.067 408 H PHE 56 H PHE 56 -1.267 -5.824 -6.169 409 HA PHE 56 HA PHE 56 -0.953 -5.401 -3.293 410 1HB PHE 56 1HB PHE 56 -2.888 -6.871 -5.156 411 2HB PHE 56 2HB PHE 56 -2.865 -7.256 -3.446 412 HD1 PHE 56 HD1 PHE 56 -2.687 -4.798 -2.047 413 HD2 PHE 56 HD2 PHE 56 -4.716 -5.585 -5.690 414 HE1 PHE 56 HE1 PHE 56 -4.243 -2.882 -1.594 415 HE2 PHE 56 HE2 PHE 56 -6.272 -3.669 -5.237 416 HZ PHE 56 HZ PHE 56 -6.017 -2.340 -3.195 417 H ASP 57 H ASP 57 1.200 -6.544 -5.006 418 HA ASP 57 HA ASP 57 1.089 -9.334 -4.263 419 1HB ASP 57 1HB ASP 57 1.835 -8.600 -6.568 420 2HB ASP 57 2HB ASP 57 3.203 -7.787 -5.834 421 H LEU 58 H LEU 58 1.832 -9.730 -2.166 422 HA LEU 58 HA LEU 58 3.194 -8.017 -0.567 423 1HB LEU 58 1HB LEU 58 2.195 -10.553 -0.378 424 2HB LEU 58 2HB LEU 58 3.914 -10.847 -0.215 425 HG LEU 58 HG LEU 58 3.827 -8.940 1.571 426 1HD1 LEU 58 1HD1 LEU 58 0.921 -9.802 1.533 427 2HD1 LEU 58 2HD1 LEU 58 1.697 -8.779 2.765 428 3HD1 LEU 58 3HD1 LEU 58 1.550 -8.197 1.089 429 1HD2 LEU 58 1HD2 LEU 58 3.289 -10.599 3.324 430 2HD2 LEU 58 2HD2 LEU 58 2.692 -11.706 2.064 431 3HD2 LEU 58 3HD2 LEU 58 4.407 -11.229 2.090 432 H THR 59 H THR 59 4.505 -10.267 -3.034 433 HA THR 59 HA THR 59 7.194 -10.063 -2.345 434 HB THR 59 HB THR 59 5.697 -10.543 -4.968 435 HG1 THR 59 HG1 THR 59 7.108 -12.044 -2.882 436 1HG2 THR 59 1HG2 THR 59 7.873 -11.633 -5.691 437 2HG2 THR 59 2HG2 THR 59 7.982 -9.859 -5.592 438 3HG2 THR 59 3HG2 THR 59 8.668 -10.866 -4.295 439 H VAL 60 H VAL 60 5.149 -7.948 -4.428 440 HA VAL 60 HA VAL 60 7.369 -6.281 -5.087 441 HB VAL 60 HB VAL 60 4.397 -5.781 -5.338 442 1HG1 VAL 60 1HG1 VAL 60 4.910 -3.844 -6.319 443 2HG1 VAL 60 2HG1 VAL 60 6.600 -4.092 -5.818 444 3HG1 VAL 60 3HG1 VAL 60 6.056 -4.647 -7.420 445 1HG2 VAL 60 1HG2 VAL 60 4.317 -6.989 -7.277 446 2HG2 VAL 60 2HG2 VAL 60 6.034 -6.713 -7.655 447 3HG2 VAL 60 3HG2 VAL 60 5.575 -7.919 -6.429 448 H ILE 61 H ILE 61 4.847 -6.410 -2.570 449 HA ILE 61 HA ILE 61 5.215 -3.761 -1.670 450 HB ILE 61 HB ILE 61 4.019 -6.243 -0.456 451 1HG1 ILE 61 1HG1 ILE 61 2.812 -3.698 -1.579 452 2HG1 ILE 61 2HG1 ILE 61 2.809 -5.273 -2.347 453 1HG2 ILE 61 1HG2 ILE 61 4.168 -3.463 0.740 454 2HG2 ILE 61 2HG2 ILE 61 3.098 -4.765 1.314 455 3HG2 ILE 61 3HG2 ILE 61 4.866 -4.962 1.400 456 1HD1 ILE 61 1HD1 ILE 61 1.322 -4.382 0.140 457 2HD1 ILE 61 2HD1 ILE 61 0.685 -5.181 -1.318 458 3HD1 ILE 61 3HD1 ILE 61 1.650 -6.109 -0.144 459 H PHE 62 H PHE 62 6.456 -6.964 -0.492 460 HA PHE 62 HA PHE 62 7.962 -6.006 1.591 461 1HB PHE 62 1HB PHE 62 7.841 -8.351 -0.267 462 2HB PHE 62 2HB PHE 62 9.428 -8.122 0.439 463 HD1 PHE 62 HD1 PHE 62 9.841 -9.362 2.326 464 HD2 PHE 62 HD2 PHE 62 5.879 -8.015 1.622 465 HE1 PHE 62 HE1 PHE 62 9.076 -10.517 4.418 466 HE2 PHE 62 HE2 PHE 62 5.114 -9.170 3.715 467 HZ PHE 62 HZ PHE 62 6.722 -10.408 5.088 468 H GLU 63 H GLU 63 8.551 -5.823 -1.898 469 HA GLU 63 HA GLU 63 11.309 -5.452 -1.745 470 1HB GLU 63 1HB GLU 63 9.199 -4.755 -3.810 471 2HB GLU 63 2HB GLU 63 10.872 -4.297 -4.053 472 1HG GLU 63 1HG GLU 63 10.854 -7.046 -3.196 473 2HG GLU 63 2HG GLU 63 9.641 -6.884 -4.451 474 H VAL 64 H VAL 64 8.554 -3.097 -2.009 475 HA VAL 64 HA VAL 64 10.225 -0.832 -1.832 476 HB VAL 64 HB VAL 64 7.286 -1.385 -1.587 477 1HG1 VAL 64 1HG1 VAL 64 6.801 0.953 -1.243 478 2HG1 VAL 64 2HG1 VAL 64 7.873 0.398 0.066 479 3HG1 VAL 64 3HG1 VAL 64 8.533 1.365 -1.275 480 1HG2 VAL 64 1HG2 VAL 64 8.275 -1.350 -3.825 481 2HG2 VAL 64 2HG2 VAL 64 7.182 0.036 -3.598 482 3HG2 VAL 64 3HG2 VAL 64 8.945 0.271 -3.520 483 H LYS 65 H LYS 65 8.491 -2.886 0.542 484 HA LYS 65 HA LYS 65 8.842 -1.171 2.731 485 1HB LYS 65 1HB LYS 65 7.259 -2.727 3.204 486 2HB LYS 65 2HB LYS 65 8.036 -3.985 2.264 487 1HG LYS 65 1HG LYS 65 9.716 -4.344 4.025 488 2HG LYS 65 2HG LYS 65 9.116 -2.972 4.935 489 1HD LYS 65 1HD LYS 65 7.438 -5.437 4.270 490 2HD LYS 65 2HD LYS 65 8.299 -5.221 5.782 491 1HE LYS 65 1HE LYS 65 6.413 -4.193 6.542 492 2HE LYS 65 2HE LYS 65 6.900 -2.821 5.568 493 1HZ LYS 65 1HZ LYS 65 5.150 -3.168 4.308 494 2HZ LYS 65 2HZ LYS 65 5.651 -4.672 3.917 495 3HZ LYS 65 3HZ LYS 65 4.693 -4.443 5.219 496 H ALA 66 H ALA 66 10.920 -3.616 1.157 497 HA ALA 66 HA ALA 66 12.799 -3.896 3.182 498 1HB ALA 66 1HB ALA 66 12.544 -5.280 1.091 499 2HB ALA 66 2HB ALA 66 13.277 -3.940 0.177 500 3HB ALA 66 3HB ALA 66 14.219 -4.781 1.431 501 H ILE 67 H ILE 67 12.743 -1.630 0.339 502 HA ILE 67 HA ILE 67 15.079 -0.283 1.151 503 HB ILE 67 HB ILE 67 12.840 0.446 -0.735 504 1HG1 ILE 67 1HG1 ILE 67 15.400 -0.044 -1.956 505 2HG1 ILE 67 2HG1 ILE 67 14.993 -1.397 -0.919 506 1HG2 ILE 67 1HG2 ILE 67 13.761 2.526 -0.105 507 2HG2 ILE 67 2HG2 ILE 67 15.423 1.887 -0.119 508 3HG2 ILE 67 3HG2 ILE 67 14.537 2.097 -1.649 509 1HD1 ILE 67 1HD1 ILE 67 12.607 -1.224 -2.032 510 2HD1 ILE 67 2HD1 ILE 67 13.465 -0.305 -3.292 511 3HD1 ILE 67 3HD1 ILE 67 13.938 -1.984 -2.937 512 H VAL 68 H VAL 68 11.561 0.245 1.696 513 HA VAL 68 HA VAL 68 11.791 2.751 2.887 514 HB VAL 68 HB VAL 68 9.802 0.500 3.059 515 1HG1 VAL 68 1HG1 VAL 68 9.025 1.340 4.985 516 2HG1 VAL 68 2HG1 VAL 68 10.066 2.780 4.870 517 3HG1 VAL 68 3HG1 VAL 68 8.493 2.749 4.036 518 1HG2 VAL 68 1HG2 VAL 68 10.131 1.982 0.980 519 2HG2 VAL 68 2HG2 VAL 68 8.477 1.794 1.611 520 3HG2 VAL 68 3HG2 VAL 68 9.395 3.281 1.949 521 H PHE 69 H PHE 69 11.673 -0.563 4.370 522 HA PHE 69 HA PHE 69 12.386 0.578 6.923 523 1HB PHE 69 1HB PHE 69 11.786 -2.194 5.757 524 2HB PHE 69 2HB PHE 69 12.344 -2.028 7.410 525 HD1 PHE 69 HD1 PHE 69 10.829 -1.556 9.130 526 HD2 PHE 69 HD2 PHE 69 9.640 -0.952 5.102 527 HE1 PHE 69 HE1 PHE 69 8.470 -1.155 9.887 528 HE2 PHE 69 HE2 PHE 69 7.280 -0.550 5.858 529 HZ PHE 69 HZ PHE 69 6.723 -0.656 8.242 530 H GLN 70 H GLN 70 14.395 1.120 5.021 531 HA GLN 70 HA GLN 70 16.406 -0.899 5.571 532 1HB GLN 70 1HB GLN 70 17.483 -0.235 3.632 533 2HB GLN 70 2HB GLN 70 15.837 0.189 3.207 534 1HG GLN 70 1HG GLN 70 16.252 2.537 4.004 535 2HG GLN 70 2HG GLN 70 17.907 2.105 4.383 536 1HE2 GLN 70 1HE2 GLN 70 15.740 3.172 2.029 537 2HE2 GLN 70 2HE2 GLN 70 16.761 3.112 0.631 538 H ASP 71 H ASP 71 18.228 -0.478 6.834 539 HA ASP 71 HA ASP 71 19.235 0.459 8.540 540 1HB ASP 71 1HB ASP 71 20.033 1.646 6.264 541 2HB ASP 71 2HB ASP 71 19.341 3.067 7.020 542 H GLY 72 H GLY 72 19.378 3.438 9.103 543 1HA GLY 72 1HA GLY 72 16.748 3.703 10.400 544 2HA GLY 72 2HA GLY 72 18.246 4.459 10.905 545 HA PRO 73 HA PRO 73 17.341 7.918 8.449 546 1HB PRO 73 1HB PRO 73 19.772 8.773 7.539 547 2HB PRO 73 2HB PRO 73 19.199 9.073 9.168 548 1HG PRO 73 1HG PRO 73 21.229 7.133 8.245 549 2HG PRO 73 2HG PRO 73 20.950 7.744 9.864 550 1HD PRO 73 1HD PRO 73 20.190 5.172 8.845 551 2HD PRO 73 2HD PRO 73 19.810 5.828 10.425 552 H GLY 74 H GLY 74 18.419 5.146 7.003 553 1HA GLY 74 1HA GLY 74 18.219 6.254 4.297 554 2HA GLY 74 2HA GLY 74 18.790 4.661 4.754 555 H SER 75 H SER 75 16.287 4.703 6.745 556 HA SER 75 HA SER 75 14.619 3.354 4.861 557 1HB SER 75 1HB SER 75 13.224 3.396 7.261 558 2HB SER 75 2HB SER 75 14.335 2.140 6.754 559 HG SER 75 HG SER 75 14.580 3.593 8.915 560 H HIS 76 H HIS 76 12.020 3.831 5.767 561 HA HIS 76 HA HIS 76 11.691 6.723 5.560 562 1HB HIS 76 1HB HIS 76 10.349 4.647 3.809 563 2HB HIS 76 2HB HIS 76 9.790 6.302 3.956 564 HD1 HIS 76 HD1 HIS 76 11.867 8.156 3.405 565 HD2 HIS 76 HD2 HIS 76 12.087 4.314 1.737 566 HE1 HIS 76 HE1 HIS 76 13.476 8.325 1.432 567 HA PRO 77 HA PRO 77 9.161 5.285 8.907 568 1HB PRO 77 1HB PRO 77 9.308 7.568 10.402 569 2HB PRO 77 2HB PRO 77 10.452 6.249 10.553 570 1HG PRO 77 1HG PRO 77 10.816 8.879 9.253 571 2HG PRO 77 2HG PRO 77 12.036 7.739 9.784 572 1HD PRO 77 1HD PRO 77 11.171 8.194 7.088 573 2HD PRO 77 2HD PRO 77 12.305 6.975 7.633 574 H ASP 78 H ASP 78 8.776 7.600 6.558 575 HA ASP 78 HA ASP 78 6.226 8.444 7.567 576 1HB ASP 78 1HB ASP 78 8.083 9.212 5.366 577 2HB ASP 78 2HB ASP 78 6.386 9.370 4.960 578 H GLN 79 H GLN 79 7.703 6.469 4.924 579 HA GLN 79 HA GLN 79 5.095 5.786 3.926 580 1HB GLN 79 1HB GLN 79 7.872 4.887 3.037 581 2HB GLN 79 2HB GLN 79 6.380 4.522 2.194 582 1HG GLN 79 1HG GLN 79 6.979 6.425 1.020 583 2HG GLN 79 2HG GLN 79 6.066 7.191 2.304 584 1HE2 GLN 79 1HE2 GLN 79 9.012 6.975 0.706 585 2HE2 GLN 79 2HE2 GLN 79 10.008 7.910 1.770 586 H GLN 80 H GLN 80 7.386 4.653 6.258 587 HA GLN 80 HA GLN 80 7.232 1.963 6.081 588 1HB GLN 80 1HB GLN 80 7.706 3.942 8.228 589 2HB GLN 80 2HB GLN 80 7.109 2.407 8.827 590 1HG GLN 80 1HG GLN 80 8.933 1.184 7.830 591 2HG GLN 80 2HG GLN 80 9.400 2.543 6.826 592 1HE2 GLN 80 1HE2 GLN 80 11.142 3.537 7.455 593 2HE2 GLN 80 2HE2 GLN 80 11.710 3.754 9.078 594 HA PRO 81 HA PRO 81 3.096 2.170 8.411 595 1HB PRO 81 1HB PRO 81 1.778 4.556 8.604 596 2HB PRO 81 2HB PRO 81 2.803 3.922 9.876 597 1HG PRO 81 1HG PRO 81 3.359 6.108 7.965 598 2HG PRO 81 2HG PRO 81 4.160 5.745 9.481 599 1HD PRO 81 1HD PRO 81 5.146 5.196 6.844 600 2HD PRO 81 2HD PRO 81 5.891 4.730 8.360 601 H TYR 82 H TYR 82 3.639 3.994 5.566 602 HA TYR 82 HA TYR 82 0.977 3.630 4.573 603 1HB TYR 82 1HB TYR 82 3.733 4.477 3.513 604 2HB TYR 82 2HB TYR 82 2.358 4.378 2.431 605 HD1 TYR 82 HD1 TYR 82 1.485 6.453 1.906 606 HD2 TYR 82 HD2 TYR 82 2.915 5.775 5.881 607 HE1 TYR 82 HE1 TYR 82 0.808 8.815 2.560 608 HE2 TYR 82 HE2 TYR 82 2.234 8.139 6.521 609 HH TYR 82 HH TYR 82 1.714 10.157 5.655 610 H ILE 83 H ILE 83 4.239 2.199 3.873 611 HA ILE 83 HA ILE 83 3.254 0.417 1.932 612 HB ILE 83 HB ILE 83 5.595 1.220 2.179 613 1HG1 ILE 83 1HG1 ILE 83 6.627 -0.954 1.554 614 2HG1 ILE 83 2HG1 ILE 83 5.173 -1.781 2.077 615 1HG2 ILE 83 1HG2 ILE 83 5.828 1.006 4.598 616 2HG2 ILE 83 2HG2 ILE 83 5.696 -0.764 4.468 617 3HG2 ILE 83 3HG2 ILE 83 7.089 0.079 3.750 618 1HD1 ILE 83 1HD1 ILE 83 4.920 0.492 0.101 619 2HD1 ILE 83 2HD1 ILE 83 5.468 -1.103 -0.466 620 3HD1 ILE 83 3HD1 ILE 83 3.878 -0.935 0.315 621 H THR 84 H THR 84 3.531 0.327 5.484 622 HA THR 84 HA THR 84 3.218 -2.429 5.827 623 HB THR 84 HB THR 84 2.504 0.015 7.524 624 HG1 THR 84 HG1 THR 84 4.587 -2.051 7.589 625 1HG2 THR 84 1HG2 THR 84 2.142 -1.382 9.381 626 2HG2 THR 84 2HG2 THR 84 1.388 -2.363 8.101 627 3HG2 THR 84 3HG2 THR 84 3.037 -2.739 8.657 628 H VAL 85 H VAL 85 0.746 0.207 5.645 629 HA VAL 85 HA VAL 85 -1.456 -1.389 6.100 630 HB VAL 85 HB VAL 85 -1.105 1.076 4.386 631 1HG1 VAL 85 1HG1 VAL 85 -3.150 0.124 3.665 632 2HG1 VAL 85 2HG1 VAL 85 -3.607 -0.352 5.318 633 3HG1 VAL 85 3HG1 VAL 85 -3.598 1.368 4.857 634 1HG2 VAL 85 1HG2 VAL 85 -1.404 2.347 6.261 635 2HG2 VAL 85 2HG2 VAL 85 -2.414 1.124 7.069 636 3HG2 VAL 85 3HG2 VAL 85 -0.646 0.925 7.018 637 H TRP 86 H TRP 86 0.267 -0.628 3.011 638 HA TRP 86 HA TRP 86 -1.443 -1.906 1.280 639 1HB TRP 86 1HB TRP 86 1.471 -1.264 1.280 640 2HB TRP 86 2HB TRP 86 0.863 -2.352 0.049 641 HD1 TRP 86 HD1 TRP 86 0.292 1.294 1.280 642 HE1 TRP 86 HE1 TRP 86 -0.639 2.805 -0.673 643 HE3 TRP 86 HE3 TRP 86 -0.249 -2.478 -2.088 644 HZ2 TRP 86 HZ2 TRP 86 -1.477 2.266 -3.347 645 HZ3 TRP 86 HZ3 TRP 86 -1.130 -1.900 -4.347 646 HH2 TRP 86 HH2 TRP 86 -1.736 0.377 -4.998 647 H GLN 87 H GLN 87 1.357 -3.208 3.187 648 HA GLN 87 HA GLN 87 1.267 -5.761 2.227 649 1HB GLN 87 1HB GLN 87 3.091 -4.922 3.634 650 2HB GLN 87 2HB GLN 87 2.012 -4.744 5.003 651 1HG GLN 87 1HG GLN 87 1.619 -7.411 4.295 652 2HG GLN 87 2HG GLN 87 3.319 -7.185 3.936 653 1HE2 GLN 87 1HE2 GLN 87 4.328 -8.153 5.549 654 2HE2 GLN 87 2HE2 GLN 87 4.137 -7.813 7.237 655 H ASP 88 H ASP 88 -0.784 -4.133 4.648 656 HA ASP 88 HA ASP 88 -1.892 -6.485 5.682 657 1HB ASP 88 1HB ASP 88 -1.943 -3.879 6.423 658 2HB ASP 88 2HB ASP 88 -3.482 -3.929 5.587 659 H LEU 89 H LEU 89 -2.660 -4.222 2.993 660 HA LEU 89 HA LEU 89 -5.237 -5.081 2.432 661 1HB LEU 89 1HB LEU 89 -3.065 -3.665 0.988 662 2HB LEU 89 2HB LEU 89 -4.346 -4.351 0.010 663 HG LEU 89 HG LEU 89 -5.146 -2.232 0.349 664 1HD1 LEU 89 1HD1 LEU 89 -6.639 -4.128 1.384 665 2HD1 LEU 89 2HD1 LEU 89 -6.304 -3.272 2.909 666 3HD1 LEU 89 3HD1 LEU 89 -7.089 -2.415 1.561 667 1HD2 LEU 89 1HD2 LEU 89 -3.198 -1.988 2.225 668 2HD2 LEU 89 2HD2 LEU 89 -4.444 -0.761 1.896 669 3HD2 LEU 89 3HD2 LEU 89 -4.657 -1.906 3.242 670 H VAL 90 H VAL 90 -2.029 -6.411 1.527 671 HA VAL 90 HA VAL 90 -3.119 -8.323 -0.271 672 HB VAL 90 HB VAL 90 -0.449 -8.224 1.147 673 1HG1 VAL 90 1HG1 VAL 90 -1.006 -9.557 -1.502 674 2HG1 VAL 90 2HG1 VAL 90 0.357 -9.799 -0.383 675 3HG1 VAL 90 3HG1 VAL 90 -1.259 -10.419 0.034 676 1HG2 VAL 90 1HG2 VAL 90 -0.556 -6.205 -0.035 677 2HG2 VAL 90 2HG2 VAL 90 0.268 -7.308 -1.164 678 3HG2 VAL 90 3HG2 VAL 90 -1.457 -6.931 -1.388 679 H GLN 91 H GLN 91 -1.985 -8.374 3.166 680 HA GLN 91 HA GLN 91 -2.379 -11.075 3.544 681 1HB GLN 91 1HB GLN 91 -2.377 -8.691 5.422 682 2HB GLN 91 2HB GLN 91 -2.652 -10.311 6.031 683 1HG GLN 91 1HG GLN 91 -0.430 -10.683 4.394 684 2HG GLN 91 2HG GLN 91 -0.147 -9.073 5.026 685 1HE2 GLN 91 1HE2 GLN 91 1.607 -10.907 5.715 686 2HE2 GLN 91 2HE2 GLN 91 1.445 -11.420 7.362 687 H ASN 92 H ASN 92 -4.527 -8.376 4.723 688 HA ASN 92 HA ASN 92 -6.673 -10.292 4.854 689 1HB ASN 92 1HB ASN 92 -6.225 -7.462 5.859 690 2HB ASN 92 2HB ASN 92 -7.868 -8.058 5.728 691 1HD2 ASN 92 1HD2 ASN 92 -5.352 -7.691 7.758 692 2HD2 ASN 92 2HD2 ASN 92 -5.639 -8.952 8.910 693 H SER 93 H SER 93 -6.939 -10.525 2.471 694 HA SER 93 HA SER 93 -7.242 -8.385 0.770 695 1HB SER 93 1HB SER 93 -8.847 -10.852 0.219 696 2HB SER 93 2HB SER 93 -7.755 -9.975 -0.834 697 HG SER 93 HG SER 93 -6.006 -10.829 0.708 698 HA PRO 94 HA PRO 94 -11.205 -7.075 2.179 699 1HB PRO 94 1HB PRO 94 -11.325 -4.750 0.748 700 2HB PRO 94 2HB PRO 94 -10.549 -4.872 2.314 701 1HG PRO 94 1HG PRO 94 -9.305 -4.685 -0.361 702 2HG PRO 94 2HG PRO 94 -8.585 -4.383 1.207 703 1HD PRO 94 1HD PRO 94 -8.224 -6.712 -0.427 704 2HD PRO 94 2HD PRO 94 -7.598 -6.459 1.191 705 HA PRO 95 HA PRO 95 -13.951 -8.245 -0.835 706 1HB PRO 95 1HB PRO 95 -16.236 -6.876 -0.226 707 2HB PRO 95 2HB PRO 95 -15.734 -8.325 0.621 708 1HG PRO 95 1HG PRO 95 -15.609 -5.513 1.524 709 2HG PRO 95 2HG PRO 95 -15.519 -6.979 2.481 710 1HD PRO 95 1HD PRO 95 -13.333 -5.277 1.739 711 2HD PRO 95 2HD PRO 95 -13.230 -6.802 2.595 712 H TRP 96 H TRP 96 -13.260 -4.901 -0.533 713 HA TRP 96 HA TRP 96 -14.521 -4.243 -3.029 714 1HB TRP 96 1HB TRP 96 -13.229 -2.063 -2.620 715 2HB TRP 96 2HB TRP 96 -14.563 -2.476 -1.561 716 HD1 TRP 96 HD1 TRP 96 -13.876 -3.268 0.997 717 HE1 TRP 96 HE1 TRP 96 -11.785 -2.806 2.539 718 HE3 TRP 96 HE3 TRP 96 -10.790 -1.746 -2.747 719 HZ2 TRP 96 HZ2 TRP 96 -9.135 -1.877 2.031 720 HZ3 TRP 96 HZ3 TRP 96 -8.467 -1.078 -2.139 721 HH2 TRP 96 HH2 TRP 96 -7.625 -1.127 0.156 722 H ILE 97 H ILE 97 -11.714 -5.904 -2.043 723 HA ILE 97 HA ILE 97 -10.232 -5.042 -4.419 724 HB ILE 97 HB ILE 97 -9.484 -6.087 -1.744 725 1HG1 ILE 97 1HG1 ILE 97 -8.351 -4.036 -3.664 726 2HG1 ILE 97 2HG1 ILE 97 -9.240 -3.731 -2.185 727 1HG2 ILE 97 1HG2 ILE 97 -8.604 -7.856 -3.131 728 2HG2 ILE 97 2HG2 ILE 97 -7.877 -6.674 -4.245 729 3HG2 ILE 97 3HG2 ILE 97 -7.269 -6.817 -2.578 730 1HD1 ILE 97 1HD1 ILE 97 -7.395 -4.974 -0.923 731 2HD1 ILE 97 2HD1 ILE 97 -6.472 -4.979 -2.445 732 3HD1 ILE 97 3HD1 ILE 97 -6.900 -3.435 -1.669 733 H LYS 98 H LYS 98 -11.215 -8.010 -2.570 734 HA LYS 98 HA LYS 98 -11.572 -9.330 -5.144 735 1HB LYS 98 1HB LYS 98 -9.576 -10.076 -3.053 736 2HB LYS 98 2HB LYS 98 -10.457 -11.379 -3.826 737 1HG LYS 98 1HG LYS 98 -9.419 -11.063 -5.851 738 2HG LYS 98 2HG LYS 98 -9.478 -9.316 -5.727 739 1HD LYS 98 1HD LYS 98 -7.637 -9.623 -3.860 740 2HD LYS 98 2HD LYS 98 -7.423 -11.217 -4.555 741 1HE LYS 98 1HE LYS 98 -6.623 -10.380 -6.601 742 2HE LYS 98 2HE LYS 98 -7.465 -8.853 -6.432 743 1HZ LYS 98 1HZ LYS 98 -5.623 -8.032 -5.593 744 2HZ LYS 98 2HZ LYS 98 -5.701 -9.053 -4.321 745 3HZ LYS 98 3HZ LYS 98 -4.868 -9.478 -5.660 746 H SER 99 H SER 99 -13.159 -11.000 -5.104 747 HA SER 99 HA SER 99 -14.508 -11.291 -2.549 748 1HB SER 99 1HB SER 99 -15.547 -9.575 -4.334 749 2HB SER 99 2HB SER 99 -16.184 -11.046 -5.041 750 HG SER 99 HG SER 99 -16.639 -11.252 -2.403 751 H GLY 100 H GLY 100 -13.584 -13.426 -2.414 752 1HA GLY 100 1HA GLY 100 -14.927 -15.587 -3.043 753 2HA GLY 100 2HA GLY 100 -14.179 -15.283 -4.598 754 HA PRO 101 HA PRO 101 -11.232 -17.392 -1.670 755 1HB PRO 101 1HB PRO 101 -11.610 -20.037 -2.247 756 2HB PRO 101 2HB PRO 101 -12.332 -19.246 -0.859 757 1HG PRO 101 1HG PRO 101 -13.608 -20.066 -3.396 758 2HG PRO 101 2HG PRO 101 -14.363 -19.676 -1.863 759 1HD PRO 101 1HD PRO 101 -14.244 -18.005 -4.192 760 2HD PRO 101 2HD PRO 101 -14.896 -17.573 -2.624 761 H SER 102 H SER 102 -9.406 -16.674 -2.599 762 HA SER 102 HA SER 102 -8.972 -17.564 -5.299 763 1HB SER 102 1HB SER 102 -8.452 -15.262 -4.958 764 2HB SER 102 2HB SER 102 -7.602 -15.580 -3.459 765 HG SER 102 HG SER 102 -5.826 -16.337 -4.558 766 H SER 103 H SER 103 -7.088 -18.797 -5.962 767 HA SER 103 HA SER 103 -5.126 -19.615 -4.206 768 1HB SER 103 1HB SER 103 -7.599 -21.275 -4.201 769 2HB SER 103 2HB SER 103 -6.112 -22.179 -4.408 770 HG SER 103 HG SER 103 -7.129 -21.000 -2.135 771 H GLY 104 H GLY 104 -3.856 -21.583 -5.218 772 1HA GLY 104 1HA GLY 104 -3.463 -22.906 -7.147 773 2HA GLY 104 2HA GLY 104 -4.357 -21.753 -8.118 Start of MODEL 7 1 1H GLY 0 1H GLY 0 -0.538 -14.849 -13.205 2 1HA GLY 0 1HA GLY 0 -0.372 -11.912 -13.387 3 2HA GLY 0 2HA GLY 0 -0.598 -13.027 -14.720 4 H SER 1 H SER 1 -2.399 -11.146 -14.880 5 HA SER 1 HA SER 1 -4.805 -12.474 -14.060 6 1HB SER 1 1HB SER 1 -4.191 -10.852 -12.189 7 2HB SER 1 2HB SER 1 -4.380 -9.543 -13.338 8 HG SER 1 HG SER 1 -6.612 -10.288 -13.681 9 H SER 2 H SER 2 -6.631 -11.873 -15.405 10 HA SER 2 HA SER 2 -5.754 -10.537 -17.818 11 1HB SER 2 1HB SER 2 -6.734 -12.650 -18.297 12 2HB SER 2 2HB SER 2 -8.032 -12.418 -17.143 13 HG SER 2 HG SER 2 -7.691 -10.890 -19.583 14 H GLY 3 H GLY 3 -7.336 -9.001 -18.906 15 1HA GLY 3 1HA GLY 3 -8.798 -7.279 -18.898 16 2HA GLY 3 2HA GLY 3 -9.457 -7.854 -17.380 17 H SER 4 H SER 4 -8.618 -5.076 -18.379 18 HA SER 4 HA SER 4 -7.108 -4.447 -15.992 19 1HB SER 4 1HB SER 4 -6.195 -4.062 -18.798 20 2HB SER 4 2HB SER 4 -6.034 -2.641 -17.785 21 HG SER 4 HG SER 4 -4.614 -3.686 -16.440 22 H SER 5 H SER 5 -7.992 -2.679 -14.940 23 HA SER 5 HA SER 5 -9.068 -0.507 -16.278 24 1HB SER 5 1HB SER 5 -10.870 -2.696 -16.179 25 2HB SER 5 2HB SER 5 -11.418 -1.599 -14.928 26 HG SER 5 HG SER 5 -12.396 -0.673 -16.625 27 H GLY 6 H GLY 6 -9.906 -2.526 -13.358 28 1HA GLY 6 1HA GLY 6 -9.903 -0.219 -11.639 29 2HA GLY 6 2HA GLY 6 -10.143 -1.895 -11.189 30 H THR 7 H THR 7 -8.266 0.524 -10.331 31 HA THR 7 HA THR 7 -5.781 -1.060 -10.345 32 HB THR 7 HB THR 7 -4.844 1.382 -9.886 33 HG1 THR 7 HG1 THR 7 -7.319 1.863 -11.363 34 1HG2 THR 7 1HG2 THR 7 -5.348 1.917 -12.482 35 2HG2 THR 7 2HG2 THR 7 -4.187 0.651 -12.016 36 3HG2 THR 7 3HG2 THR 7 -5.847 0.209 -12.483 37 HA PRO 8 HA PRO 8 -5.892 -1.176 -6.060 38 1HB PRO 8 1HB PRO 8 -3.255 -1.077 -5.352 39 2HB PRO 8 2HB PRO 8 -4.033 -2.529 -5.949 40 1HG PRO 8 1HG PRO 8 -2.164 -0.717 -7.350 41 2HG PRO 8 2HG PRO 8 -2.611 -2.362 -7.757 42 1HD PRO 8 1HD PRO 8 -3.542 0.034 -9.030 43 2HD PRO 8 2HD PRO 8 -4.075 -1.602 -9.359 44 H LEU 9 H LEU 9 -3.661 1.346 -7.111 45 HA LEU 9 HA LEU 9 -3.790 2.827 -4.775 46 1HB LEU 9 1HB LEU 9 -2.109 3.163 -6.465 47 2HB LEU 9 2HB LEU 9 -3.315 3.653 -7.639 48 HG LEU 9 HG LEU 9 -3.795 5.679 -6.371 49 1HD1 LEU 9 1HD1 LEU 9 -1.700 4.698 -4.412 50 2HD1 LEU 9 2HD1 LEU 9 -2.466 6.305 -4.399 51 3HD1 LEU 9 3HD1 LEU 9 -3.448 4.849 -4.113 52 1HD2 LEU 9 1HD2 LEU 9 -0.793 5.478 -6.636 53 2HD2 LEU 9 2HD2 LEU 9 -1.881 5.520 -8.044 54 3HD2 LEU 9 3HD2 LEU 9 -1.846 6.888 -6.905 55 H SER 10 H SER 10 -5.965 2.696 -7.625 56 HA SER 10 HA SER 10 -7.467 4.925 -6.839 57 1HB SER 10 1HB SER 10 -7.466 4.120 -9.155 58 2HB SER 10 2HB SER 10 -8.123 2.572 -8.662 59 HG SER 10 HG SER 10 -9.530 5.028 -8.114 60 H LEU 11 H LEU 11 -7.974 1.338 -6.550 61 HA LEU 11 HA LEU 11 -10.418 1.445 -5.261 62 1HB LEU 11 1HB LEU 11 -8.183 -0.578 -5.084 63 2HB LEU 11 2HB LEU 11 -9.791 -0.825 -4.435 64 HG LEU 11 HG LEU 11 -9.560 -0.089 -7.322 65 1HD1 LEU 11 1HD1 LEU 11 -7.850 -1.983 -6.538 66 2HD1 LEU 11 2HD1 LEU 11 -9.314 -2.986 -6.684 67 3HD1 LEU 11 3HD1 LEU 11 -8.727 -2.059 -8.085 68 1HD2 LEU 11 1HD2 LEU 11 -11.305 -2.270 -6.290 69 2HD2 LEU 11 2HD2 LEU 11 -11.685 -0.603 -5.795 70 3HD2 LEU 11 3HD2 LEU 11 -11.620 -1.026 -7.523 71 H THR 12 H THR 12 -7.076 1.287 -3.851 72 HA THR 12 HA THR 12 -7.821 1.344 -1.192 73 HB THR 12 HB THR 12 -5.476 2.226 -0.895 74 HG1 THR 12 HG1 THR 12 -5.385 2.163 -3.795 75 1HG2 THR 12 1HG2 THR 12 -6.119 -0.024 -2.786 76 2HG2 THR 12 2HG2 THR 12 -4.441 0.569 -2.794 77 3HG2 THR 12 3HG2 THR 12 -5.159 -0.050 -1.287 78 H LEU 13 H LEU 13 -7.058 4.167 -3.338 79 HA LEU 13 HA LEU 13 -7.573 6.093 -1.412 80 1HB LEU 13 1HB LEU 13 -7.727 6.129 -4.423 81 2HB LEU 13 2HB LEU 13 -7.979 7.560 -3.444 82 HG LEU 13 HG LEU 13 -5.450 5.892 -3.387 83 1HD1 LEU 13 1HD1 LEU 13 -6.196 7.258 -5.560 84 2HD1 LEU 13 2HD1 LEU 13 -5.475 8.595 -4.631 85 3HD1 LEU 13 3HD1 LEU 13 -4.504 7.154 -5.018 86 1HD2 LEU 13 1HD2 LEU 13 -5.134 7.007 -1.473 87 2HD2 LEU 13 2HD2 LEU 13 -4.809 8.413 -2.515 88 3HD2 LEU 13 3HD2 LEU 13 -6.431 8.174 -1.822 89 H ASP 14 H ASP 14 -9.757 4.415 -3.737 90 HA ASP 14 HA ASP 14 -11.976 5.957 -3.259 91 1HB ASP 14 1HB ASP 14 -11.510 3.097 -4.124 92 2HB ASP 14 2HB ASP 14 -13.152 3.606 -3.782 93 H HIS 15 H HIS 15 -10.313 3.542 -1.315 94 HA HIS 15 HA HIS 15 -12.541 3.595 0.588 95 1HB HIS 15 1HB HIS 15 -10.855 1.328 -0.388 96 2HB HIS 15 2HB HIS 15 -11.337 1.320 1.296 97 HD1 HIS 15 HD1 HIS 15 -14.199 2.125 1.343 98 HD2 HIS 15 HD2 HIS 15 -12.623 -0.214 -1.762 99 HE1 HIS 15 HE1 HIS 15 -16.178 0.904 0.292 100 H TRP 16 H TRP 16 -10.520 5.605 0.429 101 HA TRP 16 HA TRP 16 -8.250 5.225 1.886 102 1HB TRP 16 1HB TRP 16 -8.836 7.278 0.694 103 2HB TRP 16 2HB TRP 16 -10.074 7.636 1.881 104 HD1 TRP 16 HD1 TRP 16 -9.194 9.523 3.447 105 HE1 TRP 16 HE1 TRP 16 -6.952 10.220 4.652 106 HE3 TRP 16 HE3 TRP 16 -6.380 5.738 1.545 107 HZ2 TRP 16 HZ2 TRP 16 -4.313 9.134 4.674 108 HZ3 TRP 16 HZ3 TRP 16 -3.980 5.629 2.209 109 HH2 TRP 16 HH2 TRP 16 -2.940 7.248 3.717 110 H SER 17 H SER 17 -11.655 5.588 2.969 111 HA SER 17 HA SER 17 -11.228 6.017 5.621 112 1HB SER 17 1HB SER 17 -13.405 4.975 3.926 113 2HB SER 17 2HB SER 17 -13.452 4.316 5.549 114 HG SER 17 HG SER 17 -12.947 7.064 5.520 115 H GLU 18 H GLU 18 -11.296 2.916 3.768 116 HA GLU 18 HA GLU 18 -11.046 1.303 6.041 117 1HB GLU 18 1HB GLU 18 -11.917 0.289 4.064 118 2HB GLU 18 2HB GLU 18 -10.591 0.865 3.073 119 1HG GLU 18 1HG GLU 18 -10.310 -1.539 3.545 120 2HG GLU 18 2HG GLU 18 -9.009 -0.627 4.283 121 H ILE 19 H ILE 19 -8.693 2.721 3.701 122 HA ILE 19 HA ILE 19 -6.446 1.391 4.720 123 HB ILE 19 HB ILE 19 -6.461 4.091 3.389 124 1HG1 ILE 19 1HG1 ILE 19 -7.917 2.893 1.995 125 2HG1 ILE 19 2HG1 ILE 19 -6.347 2.744 1.232 126 1HG2 ILE 19 1HG2 ILE 19 -4.352 3.194 2.382 127 2HG2 ILE 19 2HG2 ILE 19 -4.291 3.430 4.145 128 3HG2 ILE 19 3HG2 ILE 19 -4.491 1.794 3.472 129 1HD1 ILE 19 1HD1 ILE 19 -6.048 0.506 2.358 130 2HD1 ILE 19 2HD1 ILE 19 -7.701 0.656 3.000 131 3HD1 ILE 19 3HD1 ILE 19 -7.434 0.554 1.243 132 H ARG 20 H ARG 20 -8.221 4.327 5.694 133 HA ARG 20 HA ARG 20 -6.187 5.257 7.379 134 1HB ARG 20 1HB ARG 20 -9.175 5.806 7.158 135 2HB ARG 20 2HB ARG 20 -8.217 6.564 8.415 136 1HG ARG 20 1HG ARG 20 -6.609 7.157 6.333 137 2HG ARG 20 2HG ARG 20 -8.099 6.969 5.429 138 1HD ARG 20 1HD ARG 20 -7.823 8.775 7.881 139 2HD ARG 20 2HD ARG 20 -7.653 9.342 6.231 140 HE ARG 20 HE ARG 20 -10.092 8.050 6.173 141 1HH1 ARG 20 1HH1 ARG 20 -8.729 10.537 8.257 142 2HH1 ARG 20 2HH1 ARG 20 -10.261 11.268 8.602 143 1HH2 ARG 20 1HH2 ARG 20 -12.114 9.014 6.628 144 2HH2 ARG 20 2HH2 ARG 20 -12.199 10.396 7.670 145 H SER 21 H SER 21 -8.797 2.879 7.658 146 HA SER 21 HA SER 21 -8.942 2.883 10.453 147 1HB SER 21 1HB SER 21 -10.252 1.597 8.293 148 2HB SER 21 2HB SER 21 -9.570 0.294 9.246 149 HG SER 21 HG SER 21 -11.101 2.448 10.422 150 H ARG 22 H ARG 22 -7.179 0.840 8.029 151 HA ARG 22 HA ARG 22 -6.097 -0.937 9.783 152 1HB ARG 22 1HB ARG 22 -4.826 0.226 7.252 153 2HB ARG 22 2HB ARG 22 -4.315 -1.258 8.031 154 1HG ARG 22 1HG ARG 22 -7.099 -1.584 7.725 155 2HG ARG 22 2HG ARG 22 -6.606 -0.784 6.245 156 1HD ARG 22 1HD ARG 22 -4.649 -2.584 6.243 157 2HD ARG 22 2HD ARG 22 -5.698 -3.463 7.337 158 HE ARG 22 HE ARG 22 -6.189 -2.933 4.479 159 1HH1 ARG 22 1HH1 ARG 22 -7.563 -3.979 7.544 160 2HH1 ARG 22 2HH1 ARG 22 -8.896 -4.806 6.811 161 1HH2 ARG 22 1HH2 ARG 22 -7.947 -4.024 3.510 162 2HH2 ARG 22 2HH2 ARG 22 -9.116 -4.832 4.500 163 H ALA 23 H ALA 23 -5.152 2.414 8.987 164 HA ALA 23 HA ALA 23 -2.582 2.312 10.148 165 1HB ALA 23 1HB ALA 23 -2.519 4.309 9.125 166 2HB ALA 23 2HB ALA 23 -4.254 4.165 8.753 167 3HB ALA 23 3HB ALA 23 -3.730 4.945 10.265 168 H HIS 24 H HIS 24 -5.878 3.118 11.356 169 HA HIS 24 HA HIS 24 -5.039 4.062 13.844 170 1HB HIS 24 1HB HIS 24 -7.390 3.972 12.499 171 2HB HIS 24 2HB HIS 24 -7.659 2.679 13.651 172 HD1 HIS 24 HD1 HIS 24 -7.805 3.320 16.190 173 HD2 HIS 24 HD2 HIS 24 -7.292 6.576 13.596 174 HE1 HIS 24 HE1 HIS 24 -8.301 5.413 17.563 175 H ASN 25 H ASN 25 -6.017 0.779 12.685 176 HA ASN 25 HA ASN 25 -5.830 -0.416 15.179 177 1HB ASN 25 1HB ASN 25 -6.475 -1.200 12.538 178 2HB ASN 25 2HB ASN 25 -5.074 -2.177 12.929 179 1HD2 ASN 25 1HD2 ASN 25 -7.997 -2.747 12.610 180 2HD2 ASN 25 2HD2 ASN 25 -8.472 -3.618 14.031 181 H LEU 26 H LEU 26 -3.477 0.445 12.643 182 HA LEU 26 HA LEU 26 -1.388 -1.140 13.885 183 1HB LEU 26 1HB LEU 26 -1.505 0.565 11.399 184 2HB LEU 26 2HB LEU 26 -0.032 -0.183 11.985 185 HG LEU 26 HG LEU 26 -2.540 -1.712 11.238 186 1HD1 LEU 26 1HD1 LEU 26 -0.710 -2.388 9.347 187 2HD1 LEU 26 2HD1 LEU 26 -1.970 -1.148 9.139 188 3HD1 LEU 26 3HD1 LEU 26 -0.318 -0.670 9.598 189 1HD2 LEU 26 1HD2 LEU 26 -0.959 -3.659 11.205 190 2HD2 LEU 26 2HD2 LEU 26 0.260 -2.606 11.962 191 3HD2 LEU 26 3HD2 LEU 26 -1.261 -2.964 12.816 192 H SER 27 H SER 27 -2.920 1.706 14.594 193 HA SER 27 HA SER 27 -2.418 3.489 15.726 194 1HB SER 27 1HB SER 27 -1.472 1.724 17.284 195 2HB SER 27 2HB SER 27 0.111 2.024 16.596 196 HG SER 27 HG SER 27 0.289 3.607 18.014 197 H VAL 28 H VAL 28 -1.820 3.816 13.087 198 HA VAL 28 HA VAL 28 0.583 5.471 13.217 199 HB VAL 28 HB VAL 28 1.214 4.678 10.954 200 1HG1 VAL 28 1HG1 VAL 28 1.380 3.101 13.446 201 2HG1 VAL 28 2HG1 VAL 28 1.736 2.191 11.959 202 3HG1 VAL 28 3HG1 VAL 28 2.665 3.658 12.348 203 1HG2 VAL 28 1HG2 VAL 28 -1.044 3.770 10.356 204 2HG2 VAL 28 2HG2 VAL 28 0.301 2.651 10.028 205 3HG2 VAL 28 3HG2 VAL 28 -0.733 2.405 11.455 206 H GLU 29 H GLU 29 0.546 7.264 11.700 207 HA GLU 29 HA GLU 29 -2.176 7.776 10.784 208 1HB GLU 29 1HB GLU 29 -1.413 9.283 12.609 209 2HB GLU 29 2HB GLU 29 -0.030 9.766 11.647 210 1HG GLU 29 1HG GLU 29 -1.501 11.495 11.126 211 2HG GLU 29 2HG GLU 29 -1.875 10.381 9.826 212 H ILE 30 H ILE 30 -2.497 8.140 8.611 213 HA ILE 30 HA ILE 30 -0.128 8.776 7.013 214 HB ILE 30 HB ILE 30 -0.899 7.185 5.298 215 1HG1 ILE 30 1HG1 ILE 30 -2.924 6.441 7.415 216 2HG1 ILE 30 2HG1 ILE 30 -3.218 6.941 5.761 217 1HG2 ILE 30 1HG2 ILE 30 -0.507 5.480 7.700 218 2HG2 ILE 30 2HG2 ILE 30 0.359 5.502 6.146 219 3HG2 ILE 30 3HG2 ILE 30 0.721 6.729 7.383 220 1HD1 ILE 30 1HD1 ILE 30 -3.412 4.431 6.193 221 2HD1 ILE 30 2HD1 ILE 30 -2.310 4.885 4.870 222 3HD1 ILE 30 3HD1 ILE 30 -1.652 4.420 6.458 223 H LYS 31 H LYS 31 -0.804 9.577 4.764 224 HA LYS 31 HA LYS 31 -3.361 11.005 5.000 225 1HB LYS 31 1HB LYS 31 -0.620 12.027 4.475 226 2HB LYS 31 2HB LYS 31 -1.894 12.690 3.472 227 1HG LYS 31 1HG LYS 31 -2.913 12.589 6.157 228 2HG LYS 31 2HG LYS 31 -1.299 13.263 6.250 229 1HD LYS 31 1HD LYS 31 -2.443 14.528 3.998 230 2HD LYS 31 2HD LYS 31 -3.752 14.460 5.160 231 1HE LYS 31 1HE LYS 31 -1.533 15.227 6.715 232 2HE LYS 31 2HE LYS 31 -1.296 16.091 5.208 233 1HZ LYS 31 1HZ LYS 31 -3.886 16.082 6.574 234 2HZ LYS 31 2HZ LYS 31 -2.729 17.177 6.932 235 3HZ LYS 31 3HZ LYS 31 -3.356 17.115 5.426 236 H LYS 32 H LYS 32 -4.132 11.779 2.745 237 HA LYS 32 HA LYS 32 -3.960 9.459 1.018 238 1HB LYS 32 1HB LYS 32 -6.119 10.665 1.774 239 2HB LYS 32 2HB LYS 32 -5.697 11.890 0.594 240 1HG LYS 32 1HG LYS 32 -5.411 9.865 -1.069 241 2HG LYS 32 2HG LYS 32 -6.331 8.959 0.116 242 1HD LYS 32 1HD LYS 32 -7.644 11.509 -0.327 243 2HD LYS 32 2HD LYS 32 -7.324 10.766 -1.881 244 1HE LYS 32 1HE LYS 32 -8.286 8.574 -0.746 245 2HE LYS 32 2HE LYS 32 -8.974 9.683 0.424 246 1HZ LYS 32 1HZ LYS 32 -9.527 9.485 -2.428 247 2HZ LYS 32 2HZ LYS 32 -10.576 9.564 -1.178 248 3HZ LYS 32 3HZ LYS 32 -9.780 10.905 -1.663 249 H GLY 33 H GLY 33 -3.072 12.926 1.125 250 1HA GLY 33 1HA GLY 33 -2.424 13.322 -1.545 251 2HA GLY 33 2HA GLY 33 -1.706 14.146 -0.175 252 HA PRO 34 HA PRO 34 1.879 11.669 -0.455 253 1HB PRO 34 1HB PRO 34 2.321 10.424 1.937 254 2HB PRO 34 2HB PRO 34 2.663 12.120 1.663 255 1HG PRO 34 1HG PRO 34 0.426 10.900 3.161 256 2HG PRO 34 2HG PRO 34 1.023 12.546 3.227 257 1HD PRO 34 1HD PRO 34 -1.339 11.630 1.881 258 2HD PRO 34 2HD PRO 34 -0.679 13.253 1.851 259 H TRP 35 H TRP 35 -0.642 9.681 0.955 260 HA TRP 35 HA TRP 35 0.395 7.212 0.430 261 1HB TRP 35 1HB TRP 35 -1.601 7.427 1.679 262 2HB TRP 35 2HB TRP 35 -2.435 8.245 0.373 263 HD1 TRP 35 HD1 TRP 35 -3.199 6.635 -1.761 264 HE1 TRP 35 HE1 TRP 35 -3.803 4.073 -1.955 265 HE3 TRP 35 HE3 TRP 35 -0.994 5.246 2.605 266 HZ2 TRP 35 HZ2 TRP 35 -3.302 1.805 -0.297 267 HZ3 TRP 35 HZ3 TRP 35 -1.096 2.839 3.244 268 HH2 TRP 35 HH2 TRP 35 -2.200 1.143 1.872 269 H ARG 36 H ARG 36 -1.193 9.578 -1.770 270 HA ARG 36 HA ARG 36 -1.182 7.758 -3.933 271 1HB ARG 36 1HB ARG 36 -2.862 9.552 -3.828 272 2HB ARG 36 2HB ARG 36 -1.614 10.782 -3.775 273 1HG ARG 36 1HG ARG 36 -1.156 10.625 -6.043 274 2HG ARG 36 2HG ARG 36 -1.485 8.904 -6.105 275 1HD ARG 36 1HD ARG 36 -3.813 9.211 -6.335 276 2HD ARG 36 2HD ARG 36 -3.791 10.787 -5.570 277 HE ARG 36 HE ARG 36 -2.272 10.730 -8.068 278 1HH1 ARG 36 1HH1 ARG 36 -5.481 11.114 -6.676 279 2HH1 ARG 36 2HH1 ARG 36 -6.097 12.011 -8.023 280 1HH2 ARG 36 1HH2 ARG 36 -3.085 11.914 -9.845 281 2HH2 ARG 36 2HH2 ARG 36 -4.725 12.469 -9.838 282 H THR 37 H THR 37 0.705 10.721 -3.002 283 HA THR 37 HA THR 37 2.380 10.804 -5.211 284 HB THR 37 HB THR 37 2.602 11.676 -2.297 285 HG1 THR 37 HG1 THR 37 2.222 12.804 -4.976 286 1HG2 THR 37 1HG2 THR 37 4.802 11.401 -4.129 287 2HG2 THR 37 2HG2 THR 37 4.363 13.126 -4.091 288 3HG2 THR 37 3HG2 THR 37 4.785 12.281 -2.582 289 H PHE 38 H PHE 38 2.892 9.118 -2.045 290 HA PHE 38 HA PHE 38 5.379 8.104 -2.628 291 1HB PHE 38 1HB PHE 38 2.946 7.150 -1.029 292 2HB PHE 38 2HB PHE 38 4.427 6.213 -1.015 293 HD1 PHE 38 HD1 PHE 38 6.434 8.432 -0.988 294 HD2 PHE 38 HD2 PHE 38 2.815 7.931 1.170 295 HE1 PHE 38 HE1 PHE 38 7.333 9.879 0.855 296 HE2 PHE 38 HE2 PHE 38 3.713 9.378 3.013 297 HZ PHE 38 HZ PHE 38 5.962 10.335 2.834 298 H CYS 39 H CYS 39 2.126 6.946 -3.592 299 HA CYS 39 HA CYS 39 3.336 4.601 -4.802 300 1HB CYS 39 1HB CYS 39 1.205 4.473 -3.422 301 2HB CYS 39 2HB CYS 39 0.395 5.327 -4.720 302 HG CYS 39 HG CYS 39 0.123 2.577 -4.635 303 H ALA 40 H ALA 40 3.383 7.699 -5.585 304 HA ALA 40 HA ALA 40 2.206 7.502 -8.239 305 1HB ALA 40 1HB ALA 40 3.644 9.846 -6.944 306 2HB ALA 40 2HB ALA 40 2.526 9.879 -8.329 307 3HB ALA 40 3HB ALA 40 1.914 9.507 -6.699 308 H SER 41 H SER 41 5.384 8.505 -6.769 309 HA SER 41 HA SER 41 6.719 6.939 -8.755 310 1HB SER 41 1HB SER 41 6.189 9.516 -9.499 311 2HB SER 41 2HB SER 41 7.711 9.759 -8.664 312 HG SER 41 HG SER 41 7.246 8.655 -11.144 313 H GLU 42 H GLU 42 6.477 6.738 -5.904 314 HA GLU 42 HA GLU 42 9.175 7.525 -5.116 315 1HB GLU 42 1HB GLU 42 7.136 8.621 -3.918 316 2HB GLU 42 2HB GLU 42 6.897 7.058 -3.162 317 1HG GLU 42 1HG GLU 42 8.302 8.025 -1.585 318 2HG GLU 42 2HG GLU 42 9.506 7.272 -2.612 319 H TRP 43 H TRP 43 6.533 5.079 -4.813 320 HA TRP 43 HA TRP 43 8.267 3.184 -3.544 321 1HB TRP 43 1HB TRP 43 5.433 3.197 -4.518 322 2HB TRP 43 2HB TRP 43 6.220 1.673 -4.158 323 HD1 TRP 43 HD1 TRP 43 7.826 3.495 -1.617 324 HE1 TRP 43 HE1 TRP 43 6.582 3.629 0.707 325 HE3 TRP 43 HE3 TRP 43 3.249 2.178 -3.398 326 HZ2 TRP 43 HZ2 TRP 43 3.884 3.179 1.520 327 HZ3 TRP 43 HZ3 TRP 43 1.364 2.049 -1.773 328 HH2 TRP 43 HH2 TRP 43 1.625 2.524 0.611 329 HA PRO 44 HA PRO 44 8.115 1.587 -8.023 330 1HB PRO 44 1HB PRO 44 7.298 3.278 -10.009 331 2HB PRO 44 2HB PRO 44 6.241 2.099 -9.258 332 1HG PRO 44 1HG PRO 44 6.323 5.029 -8.871 333 2HG PRO 44 2HG PRO 44 5.037 3.905 -8.477 334 1HD PRO 44 1HD PRO 44 6.885 5.108 -6.643 335 2HD PRO 44 2HD PRO 44 5.675 3.897 -6.269 336 H THR 45 H THR 45 9.511 4.161 -6.701 337 HA THR 45 HA THR 45 11.507 4.333 -8.861 338 HB THR 45 HB THR 45 12.053 6.520 -7.493 339 HG1 THR 45 HG1 THR 45 9.262 6.019 -6.796 340 1HG2 THR 45 1HG2 THR 45 9.262 6.439 -8.726 341 2HG2 THR 45 2HG2 THR 45 10.402 7.805 -8.690 342 3HG2 THR 45 3HG2 THR 45 10.730 6.399 -9.732 343 H PHE 46 H PHE 46 11.123 2.232 -6.659 344 HA PHE 46 HA PHE 46 13.521 2.733 -5.095 345 1HB PHE 46 1HB PHE 46 11.134 0.855 -5.128 346 2HB PHE 46 2HB PHE 46 12.589 0.269 -4.347 347 HD1 PHE 46 HD1 PHE 46 10.189 3.107 -4.319 348 HD2 PHE 46 HD2 PHE 46 13.068 0.875 -2.142 349 HE1 PHE 46 HE1 PHE 46 9.562 4.341 -2.225 350 HE2 PHE 46 HE2 PHE 46 12.441 2.109 -0.048 351 HZ PHE 46 HZ PHE 46 10.695 3.827 -0.114 352 H ASP 47 H ASP 47 12.541 1.200 -8.034 353 HA ASP 47 HA ASP 47 13.656 0.045 -9.499 354 1HB ASP 47 1HB ASP 47 16.048 0.002 -7.606 355 2HB ASP 47 2HB ASP 47 16.081 -0.288 -9.334 356 H VAL 48 H VAL 48 11.966 -1.526 -8.329 357 HA VAL 48 HA VAL 48 13.466 -3.918 -7.577 358 HB VAL 48 HB VAL 48 11.625 -4.343 -5.873 359 1HG1 VAL 48 1HG1 VAL 48 13.828 -3.938 -5.086 360 2HG1 VAL 48 2HG1 VAL 48 13.737 -2.206 -5.488 361 3HG1 VAL 48 3HG1 VAL 48 12.768 -2.861 -4.147 362 1HG2 VAL 48 1HG2 VAL 48 9.939 -2.813 -6.166 363 2HG2 VAL 48 2HG2 VAL 48 10.878 -1.986 -4.900 364 3HG2 VAL 48 3HG2 VAL 48 11.054 -1.496 -6.603 365 H GLY 49 H GLY 49 10.089 -2.662 -8.098 366 1HA GLY 49 1HA GLY 49 9.494 -3.689 -10.498 367 2HA GLY 49 2HA GLY 49 9.381 -5.113 -9.481 368 H TRP 50 H TRP 50 8.607 -1.681 -8.631 369 HA TRP 50 HA TRP 50 5.899 -2.600 -7.980 370 1HB TRP 50 1HB TRP 50 7.072 -1.738 -6.081 371 2HB TRP 50 2HB TRP 50 7.559 -0.297 -6.953 372 HD1 TRP 50 HD1 TRP 50 5.377 1.407 -7.655 373 HE1 TRP 50 HE1 TRP 50 3.193 2.048 -6.320 374 HE3 TRP 50 HE3 TRP 50 5.498 -2.584 -4.506 375 HZ2 TRP 50 HZ2 TRP 50 1.792 0.841 -4.146 376 HZ3 TRP 50 HZ3 TRP 50 3.685 -2.777 -2.806 377 HH2 TRP 50 HH2 TRP 50 1.876 -1.147 -2.597 378 HA PRO 51 HA PRO 51 4.716 -0.231 -11.463 379 1HB PRO 51 1HB PRO 51 2.022 -0.665 -11.317 380 2HB PRO 51 2HB PRO 51 3.133 -1.784 -12.082 381 1HG PRO 51 1HG PRO 51 1.784 -2.012 -9.462 382 2HG PRO 51 2HG PRO 51 2.540 -3.269 -10.420 383 1HD PRO 51 1HD PRO 51 3.621 -2.012 -8.080 384 2HD PRO 51 2HD PRO 51 4.424 -3.185 -9.106 385 HA PRO 52 HA PRO 52 3.471 3.580 -10.080 386 1HB PRO 52 1HB PRO 52 2.238 4.702 -12.245 387 2HB PRO 52 2HB PRO 52 3.980 4.624 -12.068 388 1HG PRO 52 1HG PRO 52 2.219 3.005 -13.805 389 2HG PRO 52 2HG PRO 52 3.952 3.243 -13.915 390 1HD PRO 52 1HD PRO 52 2.599 0.924 -12.907 391 2HD PRO 52 2HD PRO 52 4.328 1.210 -12.911 392 H GLU 53 H GLU 53 0.979 1.624 -11.500 393 HA GLU 53 HA GLU 53 -1.072 3.200 -10.331 394 1HB GLU 53 1HB GLU 53 -1.031 0.497 -11.725 395 2HB GLU 53 2HB GLU 53 -2.504 1.170 -11.056 396 1HG GLU 53 1HG GLU 53 -2.733 2.197 -13.082 397 2HG GLU 53 2HG GLU 53 -1.547 3.336 -12.478 398 H GLY 54 H GLY 54 1.005 0.552 -9.339 399 1HA GLY 54 1HA GLY 54 1.219 0.132 -7.001 400 2HA GLY 54 2HA GLY 54 -0.507 0.372 -6.810 401 H THR 55 H THR 55 0.452 -1.919 -5.727 402 HA THR 55 HA THR 55 -0.878 -3.922 -7.289 403 HB THR 55 HB THR 55 1.425 -3.860 -8.321 404 HG1 THR 55 HG1 THR 55 0.980 -6.025 -8.378 405 1HG2 THR 55 1HG2 THR 55 2.884 -5.260 -6.326 406 2HG2 THR 55 2HG2 THR 55 3.232 -3.625 -6.938 407 3HG2 THR 55 3HG2 THR 55 2.211 -3.836 -5.495 408 H PHE 56 H PHE 56 -1.524 -5.712 -6.058 409 HA PHE 56 HA PHE 56 -1.192 -5.242 -3.194 410 1HB PHE 56 1HB PHE 56 -3.165 -6.708 -5.023 411 2HB PHE 56 2HB PHE 56 -3.168 -7.024 -3.300 412 HD1 PHE 56 HD1 PHE 56 -3.026 -4.615 -1.922 413 HD2 PHE 56 HD2 PHE 56 -4.834 -5.289 -5.702 414 HE1 PHE 56 HE1 PHE 56 -4.520 -2.631 -1.562 415 HE2 PHE 56 HE2 PHE 56 -6.327 -3.304 -5.341 416 HZ PHE 56 HZ PHE 56 -6.153 -1.999 -3.275 417 H ASP 57 H ASP 57 1.001 -6.425 -4.693 418 HA ASP 57 HA ASP 57 0.772 -9.221 -3.961 419 1HB ASP 57 1HB ASP 57 1.615 -8.433 -6.267 420 2HB ASP 57 2HB ASP 57 3.044 -7.833 -5.449 421 H LEU 58 H LEU 58 1.334 -9.434 -1.765 422 HA LEU 58 HA LEU 58 2.809 -7.738 -0.256 423 1HB LEU 58 1HB LEU 58 1.462 -9.659 0.521 424 2HB LEU 58 2HB LEU 58 2.723 -10.749 -0.021 425 HG LEU 58 HG LEU 58 4.237 -9.264 1.578 426 1HD1 LEU 58 1HD1 LEU 58 1.556 -9.036 2.961 427 2HD1 LEU 58 2HD1 LEU 58 3.128 -8.391 3.493 428 3HD1 LEU 58 3HD1 LEU 58 2.322 -7.705 2.062 429 1HD2 LEU 58 1HD2 LEU 58 3.485 -10.870 3.481 430 2HD2 LEU 58 2HD2 LEU 58 2.432 -11.575 2.230 431 3HD2 LEU 58 3HD2 LEU 58 4.196 -11.539 1.992 432 H THR 59 H THR 59 3.939 -10.070 -2.675 433 HA THR 59 HA THR 59 6.618 -10.210 -1.857 434 HB THR 59 HB THR 59 5.281 -10.470 -4.602 435 HG1 THR 59 HG1 THR 59 6.112 -12.280 -2.443 436 1HG2 THR 59 1HG2 THR 59 7.992 -11.397 -3.523 437 2HG2 THR 59 2HG2 THR 59 7.235 -12.073 -4.985 438 3HG2 THR 59 3HG2 THR 59 7.706 -10.357 -4.938 439 H VAL 60 H VAL 60 4.959 -7.984 -4.177 440 HA VAL 60 HA VAL 60 7.347 -6.560 -4.718 441 HB VAL 60 HB VAL 60 4.432 -5.855 -5.111 442 1HG1 VAL 60 1HG1 VAL 60 5.019 -3.927 -6.111 443 2HG1 VAL 60 2HG1 VAL 60 6.556 -4.110 -5.232 444 3HG1 VAL 60 3HG1 VAL 60 6.424 -4.662 -6.919 445 1HG2 VAL 60 1HG2 VAL 60 6.102 -7.787 -6.388 446 2HG2 VAL 60 2HG2 VAL 60 4.431 -7.321 -6.788 447 3HG2 VAL 60 3HG2 VAL 60 5.798 -6.469 -7.545 448 H ILE 61 H ILE 61 4.763 -6.367 -2.275 449 HA ILE 61 HA ILE 61 5.336 -3.756 -1.412 450 HB ILE 61 HB ILE 61 3.946 -6.128 -0.199 451 1HG1 ILE 61 1HG1 ILE 61 2.700 -3.469 -0.807 452 2HG1 ILE 61 2HG1 ILE 61 3.063 -4.555 -2.133 453 1HG2 ILE 61 1HG2 ILE 61 5.078 -4.805 1.598 454 2HG2 ILE 61 2HG2 ILE 61 4.133 -3.389 1.077 455 3HG2 ILE 61 3HG2 ILE 61 3.301 -4.832 1.705 456 1HD1 ILE 61 1HD1 ILE 61 1.709 -6.332 -1.154 457 2HD1 ILE 61 2HD1 ILE 61 1.484 -5.392 0.341 458 3HD1 ILE 61 3HD1 ILE 61 0.738 -4.840 -1.178 459 H PHE 62 H PHE 62 6.362 -7.009 -0.168 460 HA PHE 62 HA PHE 62 7.933 -6.109 1.893 461 1HB PHE 62 1HB PHE 62 7.552 -8.488 0.166 462 2HB PHE 62 2HB PHE 62 9.224 -8.350 0.670 463 HD1 PHE 62 HD1 PHE 62 9.807 -9.467 2.591 464 HD2 PHE 62 HD2 PHE 62 5.829 -8.040 2.210 465 HE1 PHE 62 HE1 PHE 62 9.225 -10.497 4.805 466 HE2 PHE 62 HE2 PHE 62 5.247 -9.071 4.423 467 HZ PHE 62 HZ PHE 62 6.952 -10.287 5.694 468 H GLU 63 H GLU 63 8.503 -5.989 -1.591 469 HA GLU 63 HA GLU 63 11.293 -5.807 -1.434 470 1HB GLU 63 1HB GLU 63 9.340 -4.869 -3.580 471 2HB GLU 63 2HB GLU 63 11.079 -4.913 -3.788 472 1HG GLU 63 1HG GLU 63 9.831 -7.446 -2.793 473 2HG GLU 63 2HG GLU 63 9.418 -6.994 -4.435 474 H VAL 64 H VAL 64 8.667 -3.324 -1.800 475 HA VAL 64 HA VAL 64 10.490 -1.155 -1.659 476 HB VAL 64 HB VAL 64 7.503 -1.481 -1.527 477 1HG1 VAL 64 1HG1 VAL 64 7.336 0.438 -0.383 478 2HG1 VAL 64 2HG1 VAL 64 9.075 0.781 -0.546 479 3HG1 VAL 64 3HG1 VAL 64 7.950 1.244 -1.846 480 1HG2 VAL 64 1HG2 VAL 64 7.598 -0.207 -3.645 481 2HG2 VAL 64 2HG2 VAL 64 9.373 -0.152 -3.518 482 3HG2 VAL 64 3HG2 VAL 64 8.543 -1.714 -3.720 483 H LYS 65 H LYS 65 8.588 -3.067 0.680 484 HA LYS 65 HA LYS 65 8.876 -1.270 2.826 485 1HB LYS 65 1HB LYS 65 7.178 -2.744 3.212 486 2HB LYS 65 2HB LYS 65 7.996 -4.085 2.435 487 1HG LYS 65 1HG LYS 65 9.527 -4.320 4.367 488 2HG LYS 65 2HG LYS 65 8.821 -2.911 5.133 489 1HD LYS 65 1HD LYS 65 7.203 -5.395 4.408 490 2HD LYS 65 2HD LYS 65 7.957 -5.170 5.974 491 1HE LYS 65 1HE LYS 65 6.477 -3.487 6.611 492 2HE LYS 65 2HE LYS 65 6.259 -2.902 4.973 493 1HZ LYS 65 1HZ LYS 65 4.321 -4.056 5.832 494 2HZ LYS 65 2HZ LYS 65 4.909 -4.802 4.504 495 3HZ LYS 65 3HZ LYS 65 5.174 -5.440 5.984 496 H ALA 66 H ALA 66 10.837 -4.022 1.586 497 HA ALA 66 HA ALA 66 12.604 -4.263 3.674 498 1HB ALA 66 1HB ALA 66 14.091 -4.604 1.306 499 2HB ALA 66 2HB ALA 66 13.209 -5.859 2.208 500 3HB ALA 66 3HB ALA 66 12.414 -5.004 0.865 501 H ILE 67 H ILE 67 12.788 -2.071 0.786 502 HA ILE 67 HA ILE 67 15.167 -0.835 1.699 503 HB ILE 67 HB ILE 67 13.123 -0.037 -0.375 504 1HG1 ILE 67 1HG1 ILE 67 15.726 -0.863 -1.347 505 2HG1 ILE 67 2HG1 ILE 67 15.021 -2.117 -0.346 506 1HG2 ILE 67 1HG2 ILE 67 14.683 1.574 -1.201 507 2HG2 ILE 67 2HG2 ILE 67 14.438 1.891 0.534 508 3HG2 ILE 67 3HG2 ILE 67 15.918 1.072 -0.021 509 1HD1 ILE 67 1HD1 ILE 67 14.046 -2.643 -2.392 510 2HD1 ILE 67 2HD1 ILE 67 12.810 -1.537 -1.745 511 3HD1 ILE 67 3HD1 ILE 67 14.003 -0.945 -2.926 512 H VAL 68 H VAL 68 11.660 0.062 1.763 513 HA VAL 68 HA VAL 68 11.928 2.548 2.899 514 HB VAL 68 HB VAL 68 9.810 0.413 3.098 515 1HG1 VAL 68 1HG1 VAL 68 8.827 1.501 4.779 516 2HG1 VAL 68 2HG1 VAL 68 10.087 2.758 4.758 517 3HG1 VAL 68 3HG1 VAL 68 8.654 2.917 3.714 518 1HG2 VAL 68 1HG2 VAL 68 9.557 3.066 1.699 519 2HG2 VAL 68 2HG2 VAL 68 10.434 1.725 0.925 520 3HG2 VAL 68 3HG2 VAL 68 8.723 1.527 1.374 521 H PHE 69 H PHE 69 11.829 -0.705 4.465 522 HA PHE 69 HA PHE 69 12.281 0.565 7.039 523 1HB PHE 69 1HB PHE 69 11.690 -2.242 5.960 524 2HB PHE 69 2HB PHE 69 12.167 -2.025 7.633 525 HD1 PHE 69 HD1 PHE 69 9.632 -0.888 5.156 526 HD2 PHE 69 HD2 PHE 69 10.558 -1.544 9.245 527 HE1 PHE 69 HE1 PHE 69 7.247 -0.406 5.773 528 HE2 PHE 69 HE2 PHE 69 8.173 -1.062 9.862 529 HZ PHE 69 HZ PHE 69 6.546 -0.498 8.119 530 H GLN 70 H GLN 70 14.400 0.835 5.076 531 HA GLN 70 HA GLN 70 16.319 -1.179 5.696 532 1HB GLN 70 1HB GLN 70 17.775 0.010 4.172 533 2HB GLN 70 2HB GLN 70 16.172 -0.016 3.464 534 1HG GLN 70 1HG GLN 70 15.742 2.288 4.276 535 2HG GLN 70 2HG GLN 70 17.297 2.319 5.083 536 1HE2 GLN 70 1HE2 GLN 70 15.827 1.702 1.904 537 2HE2 GLN 70 2HE2 GLN 70 17.059 2.447 0.940 538 H ASP 71 H ASP 71 18.714 0.333 5.949 539 HA ASP 71 HA ASP 71 18.267 1.426 8.606 540 1HB ASP 71 1HB ASP 71 19.800 -0.487 8.546 541 2HB ASP 71 2HB ASP 71 20.735 0.244 7.257 542 H GLY 72 H GLY 72 19.441 3.444 9.171 543 1HA GLY 72 1HA GLY 72 20.722 5.308 8.694 544 2HA GLY 72 2HA GLY 72 20.779 4.863 7.000 545 HA PRO 73 HA PRO 73 17.655 8.137 7.401 546 1HB PRO 73 1HB PRO 73 18.718 9.892 5.595 547 2HB PRO 73 2HB PRO 73 19.026 9.985 7.318 548 1HG PRO 73 1HG PRO 73 20.813 9.032 5.164 549 2HG PRO 73 2HG PRO 73 21.225 9.529 6.793 550 1HD PRO 73 1HD PRO 73 21.061 6.840 5.810 551 2HD PRO 73 2HD PRO 73 21.359 7.334 7.465 552 H GLY 74 H GLY 74 18.682 5.956 5.173 553 1HA GLY 74 1HA GLY 74 17.163 6.778 2.917 554 2HA GLY 74 2HA GLY 74 17.835 5.190 3.229 555 H SER 75 H SER 75 16.528 4.712 5.805 556 HA SER 75 HA SER 75 14.288 3.453 4.984 557 1HB SER 75 1HB SER 75 13.604 3.577 7.466 558 2HB SER 75 2HB SER 75 15.168 2.873 7.110 559 HG SER 75 HG SER 75 14.609 5.013 8.679 560 H HIS 76 H HIS 76 11.968 3.895 5.219 561 HA HIS 76 HA HIS 76 11.420 6.774 5.209 562 1HB HIS 76 1HB HIS 76 10.029 4.532 3.718 563 2HB HIS 76 2HB HIS 76 9.464 6.191 3.769 564 HD1 HIS 76 HD1 HIS 76 11.411 8.014 2.870 565 HD2 HIS 76 HD2 HIS 76 11.673 4.025 1.598 566 HE1 HIS 76 HE1 HIS 76 12.884 8.024 0.786 567 HA PRO 77 HA PRO 77 9.270 5.337 8.827 568 1HB PRO 77 1HB PRO 77 9.490 7.657 10.255 569 2HB PRO 77 2HB PRO 77 10.675 6.369 10.332 570 1HG PRO 77 1HG PRO 77 10.859 8.976 8.950 571 2HG PRO 77 2HG PRO 77 12.148 7.877 9.396 572 1HD PRO 77 1HD PRO 77 11.040 8.249 6.777 573 2HD PRO 77 2HD PRO 77 12.248 7.069 7.246 574 H ASP 78 H ASP 78 8.675 7.759 6.569 575 HA ASP 78 HA ASP 78 6.156 8.438 7.753 576 1HB ASP 78 1HB ASP 78 5.966 9.671 5.421 577 2HB ASP 78 2HB ASP 78 7.047 10.295 6.651 578 H GLN 79 H GLN 79 7.560 6.573 5.007 579 HA GLN 79 HA GLN 79 4.936 5.886 4.059 580 1HB GLN 79 1HB GLN 79 7.642 4.892 3.070 581 2HB GLN 79 2HB GLN 79 6.113 4.779 2.222 582 1HG GLN 79 1HG GLN 79 6.066 7.061 1.693 583 2HG GLN 79 2HG GLN 79 7.018 7.519 3.092 584 1HE2 GLN 79 1HE2 GLN 79 7.183 5.719 0.038 585 2HE2 GLN 79 2HE2 GLN 79 8.827 6.095 -0.357 586 H GLN 80 H GLN 80 7.276 4.733 6.326 587 HA GLN 80 HA GLN 80 7.166 2.049 6.107 588 1HB GLN 80 1HB GLN 80 7.612 3.997 8.285 589 2HB GLN 80 2HB GLN 80 7.037 2.445 8.863 590 1HG GLN 80 1HG GLN 80 8.897 1.270 7.978 591 2HG GLN 80 2HG GLN 80 9.267 2.527 6.814 592 1HE2 GLN 80 1HE2 GLN 80 11.306 2.989 7.338 593 2HE2 GLN 80 2HE2 GLN 80 11.845 3.614 8.860 594 HA PRO 81 HA PRO 81 3.034 2.124 8.452 595 1HB PRO 81 1HB PRO 81 1.673 4.480 8.708 596 2HB PRO 81 2HB PRO 81 2.715 3.835 9.960 597 1HG PRO 81 1HG PRO 81 3.221 6.076 8.101 598 2HG PRO 81 2HG PRO 81 4.035 5.692 9.604 599 1HD PRO 81 1HD PRO 81 5.020 5.225 6.951 600 2HD PRO 81 2HD PRO 81 5.781 4.737 8.452 601 H TYR 82 H TYR 82 3.515 4.052 5.659 602 HA TYR 82 HA TYR 82 0.863 3.662 4.665 603 1HB TYR 82 1HB TYR 82 3.604 4.561 3.609 604 2HB TYR 82 2HB TYR 82 2.224 4.472 2.534 605 HD1 TYR 82 HD1 TYR 82 2.791 5.801 6.008 606 HD2 TYR 82 HD2 TYR 82 1.322 6.547 2.060 607 HE1 TYR 82 HE1 TYR 82 2.090 8.143 6.704 608 HE2 TYR 82 HE2 TYR 82 0.626 8.887 2.769 609 HH TYR 82 HH TYR 82 1.582 10.528 4.744 610 H ILE 83 H ILE 83 4.137 2.283 3.919 611 HA ILE 83 HA ILE 83 3.133 0.516 1.962 612 HB ILE 83 HB ILE 83 5.458 1.375 2.129 613 1HG1 ILE 83 1HG1 ILE 83 6.527 -0.765 1.455 614 2HG1 ILE 83 2HG1 ILE 83 5.119 -1.637 2.027 615 1HG2 ILE 83 1HG2 ILE 83 5.871 1.208 4.487 616 2HG2 ILE 83 2HG2 ILE 83 5.619 -0.554 4.458 617 3HG2 ILE 83 3HG2 ILE 83 7.028 0.157 3.634 618 1HD1 ILE 83 1HD1 ILE 83 5.304 -0.934 -0.523 619 2HD1 ILE 83 2HD1 ILE 83 3.737 -0.828 0.315 620 3HD1 ILE 83 3HD1 ILE 83 4.720 0.637 0.077 621 H THR 84 H THR 84 3.563 0.375 5.501 622 HA THR 84 HA THR 84 3.325 -2.389 5.812 623 HB THR 84 HB THR 84 2.732 0.057 7.534 624 HG1 THR 84 HG1 THR 84 4.943 -0.751 6.885 625 1HG2 THR 84 1HG2 THR 84 1.659 -2.542 8.004 626 2HG2 THR 84 2HG2 THR 84 3.128 -2.441 9.005 627 3HG2 THR 84 3HG2 THR 84 1.835 -1.232 9.196 628 H VAL 85 H VAL 85 0.805 0.186 5.621 629 HA VAL 85 HA VAL 85 -1.363 -1.416 6.209 630 HB VAL 85 HB VAL 85 -1.022 1.010 4.448 631 1HG1 VAL 85 1HG1 VAL 85 -3.391 -0.710 4.848 632 2HG1 VAL 85 2HG1 VAL 85 -3.670 1.026 5.120 633 3HG1 VAL 85 3HG1 VAL 85 -3.023 0.463 3.560 634 1HG2 VAL 85 1HG2 VAL 85 -2.552 1.100 6.990 635 2HG2 VAL 85 2HG2 VAL 85 -0.801 0.816 7.141 636 3HG2 VAL 85 3HG2 VAL 85 -1.399 2.266 6.298 637 H TRP 86 H TRP 86 0.249 -0.758 3.034 638 HA TRP 86 HA TRP 86 -1.473 -2.148 1.414 639 1HB TRP 86 1HB TRP 86 1.454 -1.530 1.303 640 2HB TRP 86 2HB TRP 86 0.757 -2.605 0.107 641 HD1 TRP 86 HD1 TRP 86 0.247 1.044 1.385 642 HE1 TRP 86 HE1 TRP 86 -0.692 2.581 -0.544 643 HE3 TRP 86 HE3 TRP 86 -0.313 -2.683 -2.028 644 HZ2 TRP 86 HZ2 TRP 86 -1.544 2.077 -3.221 645 HZ3 TRP 86 HZ3 TRP 86 -1.205 -2.075 -4.276 646 HH2 TRP 86 HH2 TRP 86 -1.812 0.210 -4.894 647 H GLN 87 H GLN 87 1.370 -3.318 3.337 648 HA GLN 87 HA GLN 87 1.276 -5.924 2.488 649 1HB GLN 87 1HB GLN 87 3.195 -5.256 3.701 650 2HB GLN 87 2HB GLN 87 2.256 -4.577 5.015 651 1HG GLN 87 1HG GLN 87 1.748 -7.468 4.597 652 2HG GLN 87 2HG GLN 87 3.418 -7.114 4.994 653 1HE2 GLN 87 1HE2 GLN 87 2.192 -8.554 6.771 654 2HE2 GLN 87 2HE2 GLN 87 1.735 -7.676 8.192 655 H ASP 88 H ASP 88 -0.620 -4.199 4.987 656 HA ASP 88 HA ASP 88 -1.708 -6.556 6.076 657 1HB ASP 88 1HB ASP 88 -1.594 -3.934 6.856 658 2HB ASP 88 2HB ASP 88 -3.233 -3.978 6.236 659 H LEU 89 H LEU 89 -2.529 -4.229 3.479 660 HA LEU 89 HA LEU 89 -5.209 -4.952 3.136 661 1HB LEU 89 1HB LEU 89 -3.119 -3.559 1.532 662 2HB LEU 89 2HB LEU 89 -4.564 -4.103 0.704 663 HG LEU 89 HG LEU 89 -4.756 -2.439 3.210 664 1HD1 LEU 89 1HD1 LEU 89 -5.052 -0.902 0.756 665 2HD1 LEU 89 2HD1 LEU 89 -4.112 -0.550 2.225 666 3HD1 LEU 89 3HD1 LEU 89 -3.410 -1.563 0.942 667 1HD2 LEU 89 1HD2 LEU 89 -6.661 -3.722 1.700 668 2HD2 LEU 89 2HD2 LEU 89 -6.949 -2.345 2.790 669 3HD2 LEU 89 3HD2 LEU 89 -6.703 -2.066 1.049 670 H VAL 90 H VAL 90 -2.207 -6.053 1.409 671 HA VAL 90 HA VAL 90 -3.468 -7.902 -0.216 672 HB VAL 90 HB VAL 90 -1.221 -8.934 -0.358 673 1HG1 VAL 90 1HG1 VAL 90 -1.926 -6.880 -1.654 674 2HG1 VAL 90 2HG1 VAL 90 -1.050 -5.909 -0.446 675 3HG1 VAL 90 3HG1 VAL 90 -0.170 -7.087 -1.449 676 1HG2 VAL 90 1HG2 VAL 90 -0.516 -6.925 1.807 677 2HG2 VAL 90 2HG2 VAL 90 -0.485 -8.700 1.945 678 3HG2 VAL 90 3HG2 VAL 90 0.660 -7.871 0.864 679 H GLN 91 H GLN 91 -2.234 -8.167 3.158 680 HA GLN 91 HA GLN 91 -2.542 -10.894 3.390 681 1HB GLN 91 1HB GLN 91 -2.474 -8.583 5.326 682 2HB GLN 91 2HB GLN 91 -2.923 -10.164 5.935 683 1HG GLN 91 1HG GLN 91 -0.500 -10.051 4.162 684 2HG GLN 91 2HG GLN 91 -0.340 -9.329 5.751 685 1HE2 GLN 91 1HE2 GLN 91 1.227 -11.372 5.298 686 2HE2 GLN 91 2HE2 GLN 91 0.719 -12.822 6.098 687 H ASN 92 H ASN 92 -4.805 -8.246 4.454 688 HA ASN 92 HA ASN 92 -6.874 -10.254 4.650 689 1HB ASN 92 1HB ASN 92 -6.476 -7.441 5.678 690 2HB ASN 92 2HB ASN 92 -8.127 -7.975 5.434 691 1HD2 ASN 92 1HD2 ASN 92 -5.508 -7.920 7.502 692 2HD2 ASN 92 2HD2 ASN 92 -5.993 -9.115 8.659 693 H SER 93 H SER 93 -6.198 -9.957 2.012 694 HA SER 93 HA SER 93 -6.993 -7.918 0.522 695 1HB SER 93 1HB SER 93 -7.584 -9.598 -1.254 696 2HB SER 93 2HB SER 93 -6.052 -9.921 -0.468 697 HG SER 93 HG SER 93 -6.804 -11.795 0.245 698 HA PRO 94 HA PRO 94 -11.268 -7.656 1.632 699 1HB PRO 94 1HB PRO 94 -11.692 -5.125 0.692 700 2HB PRO 94 2HB PRO 94 -11.099 -5.461 2.306 701 1HG PRO 94 1HG PRO 94 -9.611 -4.459 -0.044 702 2HG PRO 94 2HG PRO 94 -9.160 -4.399 1.649 703 1HD PRO 94 1HD PRO 94 -8.137 -6.198 -0.337 704 2HD PRO 94 2HD PRO 94 -7.773 -6.212 1.377 705 HA PRO 95 HA PRO 95 -13.376 -8.524 -1.948 706 1HB PRO 95 1HB PRO 95 -15.907 -7.588 -1.521 707 2HB PRO 95 2HB PRO 95 -15.318 -9.096 -0.852 708 1HG PRO 95 1HG PRO 95 -15.758 -6.511 0.512 709 2HG PRO 95 2HG PRO 95 -15.585 -8.107 1.214 710 1HD PRO 95 1HD PRO 95 -13.600 -6.038 1.148 711 2HD PRO 95 2HD PRO 95 -13.391 -7.672 1.746 712 H TRP 96 H TRP 96 -13.238 -5.238 -0.987 713 HA TRP 96 HA TRP 96 -14.219 -4.280 -3.511 714 1HB TRP 96 1HB TRP 96 -13.641 -2.080 -2.628 715 2HB TRP 96 2HB TRP 96 -14.650 -2.998 -1.527 716 HD1 TRP 96 HD1 TRP 96 -13.599 -3.578 0.878 717 HE1 TRP 96 HE1 TRP 96 -11.441 -2.871 2.222 718 HE3 TRP 96 HE3 TRP 96 -11.168 -1.513 -3.082 719 HZ2 TRP 96 HZ2 TRP 96 -9.014 -1.558 1.495 720 HZ3 TRP 96 HZ3 TRP 96 -8.908 -0.540 -2.679 721 HH2 TRP 96 HH2 TRP 96 -7.830 -0.540 -0.485 722 H ILE 97 H ILE 97 -11.419 -5.842 -2.470 723 HA ILE 97 HA ILE 97 -9.753 -4.366 -4.383 724 HB ILE 97 HB ILE 97 -9.161 -5.848 -1.854 725 1HG1 ILE 97 1HG1 ILE 97 -8.302 -3.179 -3.006 726 2HG1 ILE 97 2HG1 ILE 97 -9.472 -3.441 -1.728 727 1HG2 ILE 97 1HG2 ILE 97 -7.603 -6.046 -4.293 728 2HG2 ILE 97 2HG2 ILE 97 -6.677 -5.270 -2.986 729 3HG2 ILE 97 3HG2 ILE 97 -7.399 -6.877 -2.732 730 1HD1 ILE 97 1HD1 ILE 97 -6.969 -4.810 -1.098 731 2HD1 ILE 97 2HD1 ILE 97 -6.686 -3.084 -1.424 732 3HD1 ILE 97 3HD1 ILE 97 -7.841 -3.573 -0.161 733 H LYS 98 H LYS 98 -10.251 -7.731 -3.090 734 HA LYS 98 HA LYS 98 -9.507 -8.722 -5.730 735 1HB LYS 98 1HB LYS 98 -9.005 -9.575 -3.065 736 2HB LYS 98 2HB LYS 98 -10.019 -10.797 -3.806 737 1HG LYS 98 1HG LYS 98 -7.839 -9.774 -5.564 738 2HG LYS 98 2HG LYS 98 -7.280 -10.619 -4.134 739 1HD LYS 98 1HD LYS 98 -7.529 -12.403 -5.627 740 2HD LYS 98 2HD LYS 98 -9.081 -12.438 -4.812 741 1HE LYS 98 1HE LYS 98 -9.662 -12.551 -7.111 742 2HE LYS 98 2HE LYS 98 -9.927 -10.866 -6.708 743 1HZ LYS 98 1HZ LYS 98 -7.258 -11.316 -7.494 744 2HZ LYS 98 2HZ LYS 98 -8.292 -11.821 -8.653 745 3HZ LYS 98 3HZ LYS 98 -8.356 -10.280 -8.117 746 H SER 99 H SER 99 -11.270 -8.474 -7.071 747 HA SER 99 HA SER 99 -13.682 -9.805 -6.114 748 1HB SER 99 1HB SER 99 -15.045 -8.191 -7.319 749 2HB SER 99 2HB SER 99 -13.958 -7.318 -6.258 750 HG SER 99 HG SER 99 -12.526 -7.011 -8.135 751 H GLY 100 H GLY 100 -13.770 -11.739 -7.210 752 1HA GLY 100 1HA GLY 100 -12.676 -11.894 -9.916 753 2HA GLY 100 2HA GLY 100 -13.154 -13.223 -8.879 754 HA PRO 101 HA PRO 101 -16.577 -11.983 -11.807 755 1HB PRO 101 1HB PRO 101 -16.093 -13.511 -14.021 756 2HB PRO 101 2HB PRO 101 -15.652 -11.819 -13.909 757 1HG PRO 101 1HG PRO 101 -13.912 -14.203 -13.743 758 2HG PRO 101 2HG PRO 101 -13.465 -12.538 -14.059 759 1HD PRO 101 1HD PRO 101 -13.136 -13.965 -11.592 760 2HD PRO 101 2HD PRO 101 -12.798 -12.269 -11.875 761 H SER 102 H SER 102 -18.528 -13.146 -12.295 762 HA SER 102 HA SER 102 -19.953 -14.743 -11.937 763 1HB SER 102 1HB SER 102 -18.450 -16.152 -13.321 764 2HB SER 102 2HB SER 102 -17.531 -16.598 -11.897 765 HG SER 102 HG SER 102 -19.577 -17.511 -11.022 766 H SER 103 H SER 103 -21.029 -14.735 -10.001 767 HA SER 103 HA SER 103 -19.620 -15.835 -7.723 768 1HB SER 103 1HB SER 103 -19.308 -13.430 -7.469 769 2HB SER 103 2HB SER 103 -21.004 -13.121 -7.786 770 HG SER 103 HG SER 103 -21.139 -13.171 -5.637 771 H GLY 104 H GLY 104 -20.983 -17.703 -7.928 772 1HA GLY 104 1HA GLY 104 -23.774 -17.212 -7.112 773 2HA GLY 104 2HA GLY 104 -23.419 -18.250 -8.478 Start of MODEL 8 1 1H GLY 0 1H GLY 0 -4.620 -18.535 -11.573 2 1HA GLY 0 1HA GLY 0 -2.792 -17.100 -13.240 3 2HA GLY 0 2HA GLY 0 -4.400 -17.665 -13.649 4 H SER 1 H SER 1 -6.265 -16.416 -12.398 5 HA SER 1 HA SER 1 -7.350 -14.562 -12.092 6 1HB SER 1 1HB SER 1 -5.075 -14.224 -10.560 7 2HB SER 1 2HB SER 1 -5.029 -12.781 -11.553 8 HG SER 1 HG SER 1 -7.436 -12.611 -10.895 9 H SER 2 H SER 2 -8.017 -12.618 -13.244 10 HA SER 2 HA SER 2 -6.325 -11.339 -15.046 11 1HB SER 2 1HB SER 2 -6.701 -13.607 -16.209 12 2HB SER 2 2HB SER 2 -8.374 -13.129 -16.412 13 HG SER 2 HG SER 2 -6.013 -11.969 -17.569 14 H GLY 3 H GLY 3 -8.139 -10.321 -16.917 15 1HA GLY 3 1HA GLY 3 -10.579 -9.687 -16.767 16 2HA GLY 3 2HA GLY 3 -10.182 -9.108 -15.161 17 H SER 4 H SER 4 -7.725 -7.866 -15.430 18 HA SER 4 HA SER 4 -6.835 -5.961 -15.968 19 1HB SER 4 1HB SER 4 -6.197 -6.914 -18.059 20 2HB SER 4 2HB SER 4 -7.830 -6.846 -18.693 21 HG SER 4 HG SER 4 -7.640 -4.695 -19.124 22 H SER 5 H SER 5 -8.516 -4.938 -14.548 23 HA SER 5 HA SER 5 -9.607 -2.721 -15.768 24 1HB SER 5 1HB SER 5 -12.044 -3.187 -15.519 25 2HB SER 5 2HB SER 5 -11.293 -4.206 -16.730 26 HG SER 5 HG SER 5 -12.703 -5.423 -15.321 27 H GLY 6 H GLY 6 -8.981 -1.440 -14.049 28 1HA GLY 6 1HA GLY 6 -9.832 -0.548 -11.972 29 2HA GLY 6 2HA GLY 6 -10.033 -2.188 -11.387 30 H THR 7 H THR 7 -8.191 0.430 -10.868 31 HA THR 7 HA THR 7 -5.654 -1.040 -10.700 32 HB THR 7 HB THR 7 -4.865 1.436 -10.266 33 HG1 THR 7 HG1 THR 7 -6.534 2.890 -10.520 34 1HG2 THR 7 1HG2 THR 7 -5.468 0.017 -12.724 35 2HG2 THR 7 2HG2 THR 7 -5.903 1.730 -12.932 36 3HG2 THR 7 3HG2 THR 7 -4.247 1.284 -12.458 37 HA PRO 8 HA PRO 8 -5.858 -1.198 -6.420 38 1HB PRO 8 1HB PRO 8 -3.227 -1.088 -5.690 39 2HB PRO 8 2HB PRO 8 -3.994 -2.543 -6.294 40 1HG PRO 8 1HG PRO 8 -2.121 -0.723 -7.680 41 2HG PRO 8 2HG PRO 8 -2.558 -2.369 -8.091 42 1HD PRO 8 1HD PRO 8 -3.489 0.023 -9.371 43 2HD PRO 8 2HD PRO 8 -4.013 -1.615 -9.704 44 H LEU 9 H LEU 9 -3.691 1.358 -7.504 45 HA LEU 9 HA LEU 9 -3.721 2.840 -5.188 46 1HB LEU 9 1HB LEU 9 -2.667 3.058 -7.717 47 2HB LEU 9 2HB LEU 9 -3.786 4.406 -7.665 48 HG LEU 9 HG LEU 9 -1.463 3.879 -5.799 49 1HD1 LEU 9 1HD1 LEU 9 -1.802 5.412 -8.228 50 2HD1 LEU 9 2HD1 LEU 9 -1.335 6.463 -6.870 51 3HD1 LEU 9 3HD1 LEU 9 -0.327 5.060 -7.297 52 1HD2 LEU 9 1HD2 LEU 9 -2.111 6.108 -4.782 53 2HD2 LEU 9 2HD2 LEU 9 -3.688 5.913 -5.584 54 3HD2 LEU 9 3HD2 LEU 9 -3.150 4.722 -4.374 55 H SER 10 H SER 10 -6.029 2.892 -7.975 56 HA SER 10 HA SER 10 -7.587 4.928 -6.868 57 1HB SER 10 1HB SER 10 -7.537 4.202 -9.297 58 2HB SER 10 2HB SER 10 -8.442 2.771 -8.847 59 HG SER 10 HG SER 10 -10.224 3.936 -8.957 60 H LEU 11 H LEU 11 -7.664 1.333 -6.715 61 HA LEU 11 HA LEU 11 -10.165 1.108 -5.485 62 1HB LEU 11 1HB LEU 11 -7.730 -0.653 -5.616 63 2HB LEU 11 2HB LEU 11 -9.155 -1.121 -4.711 64 HG LEU 11 HG LEU 11 -9.468 -0.307 -7.581 65 1HD1 LEU 11 1HD1 LEU 11 -8.845 -3.169 -6.935 66 2HD1 LEU 11 2HD1 LEU 11 -8.733 -2.295 -8.482 67 3HD1 LEU 11 3HD1 LEU 11 -7.520 -2.013 -7.211 68 1HD2 LEU 11 1HD2 LEU 11 -10.881 -2.600 -6.293 69 2HD2 LEU 11 2HD2 LEU 11 -11.311 -0.948 -5.789 70 3HD2 LEU 11 3HD2 LEU 11 -11.456 -1.423 -7.498 71 H THR 12 H THR 12 -6.859 1.701 -4.228 72 HA THR 12 HA THR 12 -7.664 1.430 -1.495 73 HB THR 12 HB THR 12 -5.308 2.461 -1.204 74 HG1 THR 12 HG1 THR 12 -4.213 2.729 -3.259 75 1HG2 THR 12 1HG2 THR 12 -4.171 0.519 -2.583 76 2HG2 THR 12 2HG2 THR 12 -5.229 0.078 -1.221 77 3HG2 THR 12 3HG2 THR 12 -5.841 -0.016 -2.890 78 H LEU 13 H LEU 13 -6.849 4.253 -3.621 79 HA LEU 13 HA LEU 13 -7.387 6.185 -1.713 80 1HB LEU 13 1HB LEU 13 -7.104 6.045 -4.646 81 2HB LEU 13 2HB LEU 13 -8.029 7.410 -4.053 82 HG LEU 13 HG LEU 13 -5.725 8.052 -4.337 83 1HD1 LEU 13 1HD1 LEU 13 -5.443 9.201 -2.365 84 2HD1 LEU 13 2HD1 LEU 13 -7.162 8.750 -2.260 85 3HD1 LEU 13 3HD1 LEU 13 -5.941 7.821 -1.357 86 1HD2 LEU 13 1HD2 LEU 13 -4.879 5.650 -4.007 87 2HD2 LEU 13 2HD2 LEU 13 -3.862 6.984 -3.412 88 3HD2 LEU 13 3HD2 LEU 13 -4.849 6.040 -2.271 89 H ASP 14 H ASP 14 -9.543 4.273 -3.812 90 HA ASP 14 HA ASP 14 -11.784 5.881 -3.466 91 1HB ASP 14 1HB ASP 14 -11.287 2.997 -4.226 92 2HB ASP 14 2HB ASP 14 -12.933 3.498 -3.896 93 H HIS 15 H HIS 15 -10.166 3.381 -1.523 94 HA HIS 15 HA HIS 15 -12.353 3.555 0.421 95 1HB HIS 15 1HB HIS 15 -10.656 1.254 -0.475 96 2HB HIS 15 2HB HIS 15 -11.208 1.292 1.188 97 HD1 HIS 15 HD1 HIS 15 -14.066 2.133 1.078 98 HD2 HIS 15 HD2 HIS 15 -12.373 -0.329 -1.867 99 HE1 HIS 15 HE1 HIS 15 -16.007 0.892 -0.020 100 H TRP 16 H TRP 16 -10.550 5.627 0.392 101 HA TRP 16 HA TRP 16 -8.183 5.273 1.765 102 1HB TRP 16 1HB TRP 16 -8.821 7.315 0.586 103 2HB TRP 16 2HB TRP 16 -10.066 7.639 1.776 104 HD1 TRP 16 HD1 TRP 16 -9.231 9.546 3.341 105 HE1 TRP 16 HE1 TRP 16 -7.007 10.297 4.545 106 HE3 TRP 16 HE3 TRP 16 -6.326 5.834 1.434 107 HZ2 TRP 16 HZ2 TRP 16 -4.342 9.277 4.565 108 HZ3 TRP 16 HZ3 TRP 16 -3.924 5.783 2.097 109 HH2 TRP 16 HH2 TRP 16 -2.923 7.425 3.606 110 H SER 17 H SER 17 -11.586 5.559 2.881 111 HA SER 17 HA SER 17 -11.146 5.991 5.529 112 1HB SER 17 1HB SER 17 -13.296 4.439 4.048 113 2HB SER 17 2HB SER 17 -13.352 4.613 5.791 114 HG SER 17 HG SER 17 -14.543 6.278 4.514 115 H GLU 18 H GLU 18 -11.004 2.939 3.632 116 HA GLU 18 HA GLU 18 -10.748 1.303 5.907 117 1HB GLU 18 1HB GLU 18 -11.564 0.212 3.978 118 2HB GLU 18 2HB GLU 18 -10.354 0.929 2.932 119 1HG GLU 18 1HG GLU 18 -9.770 -1.413 3.282 120 2HG GLU 18 2HG GLU 18 -8.577 -0.423 4.098 121 H ILE 19 H ILE 19 -8.457 2.866 3.609 122 HA ILE 19 HA ILE 19 -6.158 1.599 4.619 123 HB ILE 19 HB ILE 19 -6.386 4.260 3.212 124 1HG1 ILE 19 1HG1 ILE 19 -7.618 2.492 2.005 125 2HG1 ILE 19 2HG1 ILE 19 -6.221 3.072 1.121 126 1HG2 ILE 19 1HG2 ILE 19 -4.120 2.330 3.687 127 2HG2 ILE 19 2HG2 ILE 19 -4.105 3.482 2.330 128 3HG2 ILE 19 3HG2 ILE 19 -4.194 4.080 4.005 129 1HD1 ILE 19 1HD1 ILE 19 -4.901 1.120 1.795 130 2HD1 ILE 19 2HD1 ILE 19 -6.213 0.564 2.862 131 3HD1 ILE 19 3HD1 ILE 19 -6.442 0.565 1.097 132 H ARG 20 H ARG 20 -8.079 4.422 5.616 133 HA ARG 20 HA ARG 20 -6.085 5.471 7.281 134 1HB ARG 20 1HB ARG 20 -9.107 5.840 7.116 135 2HB ARG 20 2HB ARG 20 -8.158 6.671 8.332 136 1HG ARG 20 1HG ARG 20 -6.651 7.327 6.196 137 2HG ARG 20 2HG ARG 20 -8.152 7.036 5.339 138 1HD ARG 20 1HD ARG 20 -7.892 8.904 7.746 139 2HD ARG 20 2HD ARG 20 -7.846 9.441 6.079 140 HE ARG 20 HE ARG 20 -10.199 7.878 6.383 141 1HH1 ARG 20 1HH1 ARG 20 -8.877 10.914 7.574 142 2HH1 ARG 20 2HH1 ARG 20 -10.430 11.646 7.807 143 1HH2 ARG 20 1HH2 ARG 20 -12.248 8.843 6.691 144 2HH2 ARG 20 2HH2 ARG 20 -12.360 10.460 7.302 145 H SER 21 H SER 21 -8.465 2.887 7.551 146 HA SER 21 HA SER 21 -8.467 2.891 10.395 147 1HB SER 21 1HB SER 21 -10.024 1.725 8.319 148 2HB SER 21 2HB SER 21 -9.338 0.377 9.204 149 HG SER 21 HG SER 21 -10.146 1.428 11.199 150 H ARG 22 H ARG 22 -7.034 0.886 7.737 151 HA ARG 22 HA ARG 22 -5.919 -1.073 9.185 152 1HB ARG 22 1HB ARG 22 -4.727 0.426 6.799 153 2HB ARG 22 2HB ARG 22 -4.105 -1.104 7.383 154 1HG ARG 22 1HG ARG 22 -7.009 -0.699 6.534 155 2HG ARG 22 2HG ARG 22 -5.762 -1.267 5.442 156 1HD ARG 22 1HD ARG 22 -5.290 -3.156 7.114 157 2HD ARG 22 2HD ARG 22 -6.714 -2.642 7.997 158 HE ARG 22 HE ARG 22 -7.631 -2.921 5.388 159 1HH1 ARG 22 1HH1 ARG 22 -5.963 -5.034 7.655 160 2HH1 ARG 22 2HH1 ARG 22 -6.652 -6.485 7.007 161 1HH2 ARG 22 1HH2 ARG 22 -8.540 -4.835 4.532 162 2HH2 ARG 22 2HH2 ARG 22 -8.128 -6.371 5.219 163 H ALA 23 H ALA 23 -4.780 2.308 8.770 164 HA ALA 23 HA ALA 23 -2.290 1.837 10.093 165 1HB ALA 23 1HB ALA 23 -1.813 3.854 9.212 166 2HB ALA 23 2HB ALA 23 -3.419 3.809 8.445 167 3HB ALA 23 3HB ALA 23 -3.208 4.608 10.021 168 H HIS 24 H HIS 24 -5.469 3.359 10.939 169 HA HIS 24 HA HIS 24 -4.827 4.190 13.462 170 1HB HIS 24 1HB HIS 24 -7.074 4.137 11.886 171 2HB HIS 24 2HB HIS 24 -7.528 3.040 13.175 172 HD1 HIS 24 HD1 HIS 24 -7.991 4.038 15.504 173 HD2 HIS 24 HD2 HIS 24 -6.589 6.846 12.720 174 HE1 HIS 24 HE1 HIS 24 -8.321 6.332 16.573 175 H ASN 25 H ASN 25 -5.970 0.943 12.354 176 HA ASN 25 HA ASN 25 -6.069 -0.121 14.928 177 1HB ASN 25 1HB ASN 25 -6.575 -0.991 12.241 178 2HB ASN 25 2HB ASN 25 -5.428 -2.135 12.908 179 1HD2 ASN 25 1HD2 ASN 25 -7.977 -2.871 12.229 180 2HD2 ASN 25 2HD2 ASN 25 -8.897 -3.278 13.639 181 H LEU 26 H LEU 26 -3.525 0.364 12.482 182 HA LEU 26 HA LEU 26 -1.682 -1.419 13.807 183 1HB LEU 26 1HB LEU 26 -1.561 0.342 11.371 184 2HB LEU 26 2HB LEU 26 -0.122 -0.410 12.032 185 HG LEU 26 HG LEU 26 -2.585 -1.937 11.144 186 1HD1 LEU 26 1HD1 LEU 26 -1.934 -1.620 9.047 187 2HD1 LEU 26 2HD1 LEU 26 -0.493 -0.719 9.578 188 3HD1 LEU 26 3HD1 LEU 26 -0.427 -2.491 9.425 189 1HD2 LEU 26 1HD2 LEU 26 -1.034 -3.888 11.195 190 2HD2 LEU 26 2HD2 LEU 26 0.184 -2.846 11.967 191 3HD2 LEU 26 3HD2 LEU 26 -1.358 -3.174 12.793 192 H SER 27 H SER 27 -2.918 1.644 14.421 193 HA SER 27 HA SER 27 -2.342 3.201 15.824 194 1HB SER 27 1HB SER 27 0.183 1.625 16.482 195 2HB SER 27 2HB SER 27 -0.554 2.875 17.464 196 HG SER 27 HG SER 27 -1.477 1.164 18.407 197 H VAL 28 H VAL 28 -1.838 3.732 13.205 198 HA VAL 28 HA VAL 28 0.536 5.391 13.384 199 HB VAL 28 HB VAL 28 1.084 4.609 10.988 200 1HG1 VAL 28 1HG1 VAL 28 2.653 4.265 12.749 201 2HG1 VAL 28 2HG1 VAL 28 1.666 2.970 13.469 202 3HG1 VAL 28 3HG1 VAL 28 2.480 2.705 11.908 203 1HG2 VAL 28 1HG2 VAL 28 -1.068 3.184 10.935 204 2HG2 VAL 28 2HG2 VAL 28 0.429 2.467 10.291 205 3HG2 VAL 28 3HG2 VAL 28 -0.150 2.012 11.912 206 H GLU 29 H GLU 29 0.499 7.156 11.798 207 HA GLU 29 HA GLU 29 -2.220 7.571 10.825 208 1HB GLU 29 1HB GLU 29 -0.763 9.126 12.641 209 2HB GLU 29 2HB GLU 29 -0.576 9.998 11.132 210 1HG GLU 29 1HG GLU 29 -3.173 9.657 10.870 211 2HG GLU 29 2HG GLU 29 -3.147 9.281 12.581 212 H ILE 30 H ILE 30 -2.507 8.397 8.696 213 HA ILE 30 HA ILE 30 -0.094 8.910 7.157 214 HB ILE 30 HB ILE 30 -0.809 7.382 5.375 215 1HG1 ILE 30 1HG1 ILE 30 -2.898 6.505 7.387 216 2HG1 ILE 30 2HG1 ILE 30 -3.178 7.223 5.813 217 1HG2 ILE 30 1HG2 ILE 30 0.344 5.615 6.225 218 2HG2 ILE 30 2HG2 ILE 30 0.731 6.824 7.472 219 3HG2 ILE 30 3HG2 ILE 30 -0.547 5.621 7.765 220 1HD1 ILE 30 1HD1 ILE 30 -3.278 4.580 6.144 221 2HD1 ILE 30 2HD1 ILE 30 -2.596 5.280 4.656 222 3HD1 ILE 30 3HD1 ILE 30 -1.513 4.711 5.949 223 H LYS 31 H LYS 31 -0.670 9.855 4.965 224 HA LYS 31 HA LYS 31 -3.181 11.356 5.237 225 1HB LYS 31 1HB LYS 31 -0.412 12.181 4.535 226 2HB LYS 31 2HB LYS 31 -1.700 12.915 3.601 227 1HG LYS 31 1HG LYS 31 -2.633 12.978 6.276 228 2HG LYS 31 2HG LYS 31 -0.934 13.390 6.393 229 1HD LYS 31 1HD LYS 31 -1.976 15.485 6.024 230 2HD LYS 31 2HD LYS 31 -1.374 15.051 4.436 231 1HE LYS 31 1HE LYS 31 -3.627 14.149 3.825 232 2HE LYS 31 2HE LYS 31 -4.231 14.571 5.414 233 1HZ LYS 31 1HZ LYS 31 -4.702 16.511 4.500 234 2HZ LYS 31 2HZ LYS 31 -3.106 16.855 4.523 235 3HZ LYS 31 3HZ LYS 31 -3.790 16.244 3.172 236 H LYS 32 H LYS 32 -4.049 12.116 3.027 237 HA LYS 32 HA LYS 32 -4.012 9.776 1.297 238 1HB LYS 32 1HB LYS 32 -6.176 10.606 2.109 239 2HB LYS 32 2HB LYS 32 -5.868 12.174 1.391 240 1HG LYS 32 1HG LYS 32 -6.105 11.376 -0.810 241 2HG LYS 32 2HG LYS 32 -5.669 9.735 -0.378 242 1HD LYS 32 1HD LYS 32 -7.935 9.379 -0.535 243 2HD LYS 32 2HD LYS 32 -7.934 9.972 1.114 244 1HE LYS 32 1HE LYS 32 -9.635 11.090 -0.422 245 2HE LYS 32 2HE LYS 32 -8.574 12.198 0.426 246 1HZ LYS 32 1HZ LYS 32 -7.435 12.663 -1.470 247 2HZ LYS 32 2HZ LYS 32 -7.772 11.242 -2.199 248 3HZ LYS 32 3HZ LYS 32 -8.918 12.402 -2.103 249 H GLY 33 H GLY 33 -2.514 12.837 1.624 250 1HA GLY 33 1HA GLY 33 -2.321 13.443 -1.190 251 2HA GLY 33 2HA GLY 33 -1.523 14.254 0.143 252 HA PRO 34 HA PRO 34 2.031 11.766 -0.358 253 1HB PRO 34 1HB PRO 34 2.600 10.494 1.993 254 2HB PRO 34 2HB PRO 34 2.934 12.192 1.717 255 1HG PRO 34 1HG PRO 34 0.778 10.965 3.325 256 2HG PRO 34 2HG PRO 34 1.385 12.608 3.375 257 1HD PRO 34 1HD PRO 34 -1.052 11.714 2.153 258 2HD PRO 34 2HD PRO 34 -0.388 13.335 2.103 259 H TRP 35 H TRP 35 -0.464 9.800 1.109 260 HA TRP 35 HA TRP 35 0.521 7.317 0.561 261 1HB TRP 35 1HB TRP 35 -1.454 7.552 1.833 262 2HB TRP 35 2HB TRP 35 -2.288 8.404 0.548 263 HD1 TRP 35 HD1 TRP 35 -3.185 6.849 -1.551 264 HE1 TRP 35 HE1 TRP 35 -3.821 4.298 -1.781 265 HE3 TRP 35 HE3 TRP 35 -0.787 5.330 2.668 266 HZ2 TRP 35 HZ2 TRP 35 -3.263 1.983 -0.207 267 HZ3 TRP 35 HZ3 TRP 35 -0.882 2.908 3.249 268 HH2 TRP 35 HH2 TRP 35 -2.066 1.257 1.890 269 H ARG 36 H ARG 36 -1.080 9.702 -1.614 270 HA ARG 36 HA ARG 36 -1.116 7.892 -3.780 271 1HB ARG 36 1HB ARG 36 -2.582 10.051 -3.304 272 2HB ARG 36 2HB ARG 36 -1.266 10.913 -4.075 273 1HG ARG 36 1HG ARG 36 -2.237 10.412 -6.065 274 2HG ARG 36 2HG ARG 36 -1.717 8.758 -5.814 275 1HD ARG 36 1HD ARG 36 -3.861 8.057 -5.521 276 2HD ARG 36 2HD ARG 36 -4.134 9.247 -4.264 277 HE ARG 36 HE ARG 36 -4.841 9.504 -7.101 278 1HH1 ARG 36 1HH1 ARG 36 -4.242 11.237 -4.097 279 2HH1 ARG 36 2HH1 ARG 36 -5.154 12.631 -4.571 280 1HH2 ARG 36 1HH2 ARG 36 -6.043 11.344 -7.726 281 2HH2 ARG 36 2HH2 ARG 36 -6.185 12.693 -6.649 282 H THR 37 H THR 37 0.842 10.808 -2.855 283 HA THR 37 HA THR 37 2.485 10.887 -5.086 284 HB THR 37 HB THR 37 2.846 11.674 -2.155 285 HG1 THR 37 HG1 THR 37 1.317 12.936 -3.300 286 1HG2 THR 37 1HG2 THR 37 4.969 12.406 -2.582 287 2HG2 THR 37 2HG2 THR 37 4.925 11.468 -4.094 288 3HG2 THR 37 3HG2 THR 37 4.436 13.179 -4.094 289 H PHE 38 H PHE 38 3.001 9.128 -1.961 290 HA PHE 38 HA PHE 38 5.457 8.068 -2.608 291 1HB PHE 38 1HB PHE 38 3.035 7.144 -0.973 292 2HB PHE 38 2HB PHE 38 4.500 6.183 -0.997 293 HD1 PHE 38 HD1 PHE 38 2.949 7.921 1.227 294 HD2 PHE 38 HD2 PHE 38 6.554 8.348 -0.972 295 HE1 PHE 38 HE1 PHE 38 3.906 9.332 3.069 296 HE2 PHE 38 HE2 PHE 38 7.510 9.759 0.871 297 HZ PHE 38 HZ PHE 38 6.175 10.234 2.869 298 H CYS 39 H CYS 39 2.182 7.100 -3.629 299 HA CYS 39 HA CYS 39 3.313 4.724 -4.883 300 1HB CYS 39 1HB CYS 39 1.209 4.629 -3.412 301 2HB CYS 39 2HB CYS 39 0.377 5.436 -4.726 302 HG CYS 39 HG CYS 39 1.860 3.513 -6.382 303 H ALA 40 H ALA 40 3.387 7.826 -5.591 304 HA ALA 40 HA ALA 40 2.106 7.700 -8.207 305 1HB ALA 40 1HB ALA 40 3.546 10.022 -6.873 306 2HB ALA 40 2HB ALA 40 2.412 10.086 -8.243 307 3HB ALA 40 3HB ALA 40 1.822 9.660 -6.619 308 H SER 41 H SER 41 5.322 8.544 -6.730 309 HA SER 41 HA SER 41 6.613 7.098 -8.808 310 1HB SER 41 1HB SER 41 6.048 9.680 -9.497 311 2HB SER 41 2HB SER 41 7.582 9.926 -8.688 312 HG SER 41 HG SER 41 7.005 8.387 -11.040 313 H GLU 42 H GLU 42 6.463 6.798 -5.978 314 HA GLU 42 HA GLU 42 9.141 7.665 -5.206 315 1HB GLU 42 1HB GLU 42 7.084 8.572 -3.904 316 2HB GLU 42 2HB GLU 42 6.920 6.951 -3.258 317 1HG GLU 42 1HG GLU 42 8.340 7.745 -1.633 318 2HG GLU 42 2HG GLU 42 9.579 7.320 -2.797 319 H TRP 43 H TRP 43 6.635 5.068 -4.824 320 HA TRP 43 HA TRP 43 8.543 3.209 -3.799 321 1HB TRP 43 1HB TRP 43 5.670 3.027 -4.677 322 2HB TRP 43 2HB TRP 43 6.592 1.600 -4.250 323 HD1 TRP 43 HD1 TRP 43 8.121 3.463 -1.787 324 HE1 TRP 43 HE1 TRP 43 6.876 3.698 0.528 325 HE3 TRP 43 HE3 TRP 43 3.517 2.198 -3.537 326 HZ2 TRP 43 HZ2 TRP 43 4.167 3.335 1.349 327 HZ3 TRP 43 HZ3 TRP 43 1.627 2.162 -1.913 328 HH2 TRP 43 HH2 TRP 43 1.895 2.704 0.455 329 HA PRO 44 HA PRO 44 8.183 1.807 -8.331 330 1HB PRO 44 1HB PRO 44 7.142 3.531 -10.178 331 2HB PRO 44 2HB PRO 44 6.205 2.261 -9.417 332 1HG PRO 44 1HG PRO 44 6.150 5.171 -8.898 333 2HG PRO 44 2HG PRO 44 4.957 3.958 -8.476 334 1HD PRO 44 1HD PRO 44 6.855 5.186 -6.711 335 2HD PRO 44 2HD PRO 44 5.742 3.892 -6.316 336 H THR 45 H THR 45 9.483 4.453 -7.008 337 HA THR 45 HA THR 45 11.377 4.741 -9.247 338 HB THR 45 HB THR 45 11.786 7.017 -8.039 339 HG1 THR 45 HG1 THR 45 10.676 6.571 -6.077 340 1HG2 THR 45 1HG2 THR 45 9.910 8.102 -9.109 341 2HG2 THR 45 2HG2 THR 45 10.291 6.699 -10.137 342 3HG2 THR 45 3HG2 THR 45 8.916 6.629 -9.009 343 H PHE 46 H PHE 46 11.141 2.776 -6.827 344 HA PHE 46 HA PHE 46 13.637 3.479 -5.502 345 1HB PHE 46 1HB PHE 46 11.322 1.522 -5.131 346 2HB PHE 46 2HB PHE 46 12.831 1.207 -4.297 347 HD1 PHE 46 HD1 PHE 46 12.354 4.692 -4.664 348 HD2 PHE 46 HD2 PHE 46 11.144 1.366 -2.322 349 HE1 PHE 46 HE1 PHE 46 11.658 6.244 -2.818 350 HE2 PHE 46 HE2 PHE 46 10.449 2.919 -0.476 351 HZ PHE 46 HZ PHE 46 10.714 5.339 -0.746 352 H ASP 47 H ASP 47 12.356 1.473 -8.055 353 HA ASP 47 HA ASP 47 13.398 0.191 -9.482 354 1HB ASP 47 1HB ASP 47 15.506 1.591 -8.742 355 2HB ASP 47 2HB ASP 47 15.939 0.167 -7.817 356 H VAL 48 H VAL 48 12.035 -1.593 -8.778 357 HA VAL 48 HA VAL 48 13.468 -3.748 -7.583 358 HB VAL 48 HB VAL 48 11.696 -4.032 -5.770 359 1HG1 VAL 48 1HG1 VAL 48 13.090 -3.063 -4.191 360 2HG1 VAL 48 2HG1 VAL 48 14.178 -3.213 -5.591 361 3HG1 VAL 48 3HG1 VAL 48 13.434 -1.643 -5.207 362 1HG2 VAL 48 1HG2 VAL 48 10.105 -2.350 -6.526 363 2HG2 VAL 48 2HG2 VAL 48 10.704 -1.936 -4.902 364 3HG2 VAL 48 3HG2 VAL 48 11.325 -1.069 -6.327 365 H GLY 49 H GLY 49 10.298 -2.312 -8.545 366 1HA GLY 49 1HA GLY 49 9.528 -3.576 -10.639 367 2HA GLY 49 2HA GLY 49 9.476 -4.954 -9.558 368 H TRP 50 H TRP 50 8.676 -1.510 -8.798 369 HA TRP 50 HA TRP 50 5.995 -2.442 -8.055 370 1HB TRP 50 1HB TRP 50 7.202 -1.535 -6.202 371 2HB TRP 50 2HB TRP 50 7.661 -0.109 -7.112 372 HD1 TRP 50 HD1 TRP 50 5.603 1.703 -7.616 373 HE1 TRP 50 HE1 TRP 50 3.390 2.308 -6.312 374 HE3 TRP 50 HE3 TRP 50 5.463 -2.545 -4.825 375 HZ2 TRP 50 HZ2 TRP 50 1.864 0.972 -4.304 376 HZ3 TRP 50 HZ3 TRP 50 3.577 -2.816 -3.217 377 HH2 TRP 50 HH2 TRP 50 1.818 -1.143 -2.933 378 HA PRO 51 HA PRO 51 4.759 -0.160 -11.587 379 1HB PRO 51 1HB PRO 51 2.092 -0.746 -11.479 380 2HB PRO 51 2HB PRO 51 3.274 -1.795 -12.235 381 1HG PRO 51 1HG PRO 51 1.906 -2.115 -9.634 382 2HG PRO 51 2HG PRO 51 2.744 -3.322 -10.589 383 1HD PRO 51 1HD PRO 51 3.723 -2.020 -8.228 384 2HD PRO 51 2HD PRO 51 4.603 -3.139 -9.249 385 HA PRO 52 HA PRO 52 3.270 3.566 -10.209 386 1HB PRO 52 1HB PRO 52 1.967 4.611 -12.372 387 2HB PRO 52 2HB PRO 52 3.711 4.640 -12.198 388 1HG PRO 52 1HG PRO 52 2.051 2.917 -13.933 389 2HG PRO 52 2HG PRO 52 3.765 3.262 -14.046 390 1HD PRO 52 1HD PRO 52 2.560 0.862 -13.037 391 2HD PRO 52 2HD PRO 52 4.268 1.255 -13.043 392 H GLU 53 H GLU 53 0.859 1.553 -11.730 393 HA GLU 53 HA GLU 53 -1.262 2.969 -10.513 394 1HB GLU 53 1HB GLU 53 -1.006 0.372 -12.045 395 2HB GLU 53 2HB GLU 53 -2.508 0.744 -11.223 396 1HG GLU 53 1HG GLU 53 -1.133 2.495 -13.316 397 2HG GLU 53 2HG GLU 53 -2.576 1.533 -13.570 398 H GLY 54 H GLY 54 1.049 0.644 -9.423 399 1HA GLY 54 1HA GLY 54 1.263 0.113 -7.156 400 2HA GLY 54 2HA GLY 54 -0.463 0.316 -6.929 401 H THR 55 H THR 55 0.370 -1.929 -5.817 402 HA THR 55 HA THR 55 -0.850 -3.968 -7.402 403 HB THR 55 HB THR 55 1.564 -3.800 -8.292 404 HG1 THR 55 HG1 THR 55 0.256 -5.760 -8.391 405 1HG2 THR 55 1HG2 THR 55 3.187 -5.124 -6.791 406 2HG2 THR 55 2HG2 THR 55 2.872 -3.451 -6.271 407 3HG2 THR 55 3HG2 THR 55 2.063 -4.806 -5.447 408 H PHE 56 H PHE 56 -1.518 -5.747 -6.169 409 HA PHE 56 HA PHE 56 -1.271 -5.244 -3.301 410 1HB PHE 56 1HB PHE 56 -3.199 -6.660 -5.200 411 2HB PHE 56 2HB PHE 56 -3.214 -7.101 -3.504 412 HD1 PHE 56 HD1 PHE 56 -4.773 -5.117 -5.844 413 HD2 PHE 56 HD2 PHE 56 -3.217 -4.893 -1.902 414 HE1 PHE 56 HE1 PHE 56 -6.292 -3.180 -5.354 415 HE2 PHE 56 HE2 PHE 56 -4.736 -2.956 -1.412 416 HZ PHE 56 HZ PHE 56 -6.255 -2.122 -3.144 417 H ASP 57 H ASP 57 1.025 -6.359 -4.525 418 HA ASP 57 HA ASP 57 0.780 -9.192 -3.977 419 1HB ASP 57 1HB ASP 57 1.911 -8.284 -6.090 420 2HB ASP 57 2HB ASP 57 3.175 -7.639 -5.062 421 H LEU 58 H LEU 58 1.723 -10.074 -2.101 422 HA LEU 58 HA LEU 58 2.725 -8.266 -0.147 423 1HB LEU 58 1HB LEU 58 1.483 -10.727 -0.154 424 2HB LEU 58 2HB LEU 58 3.120 -11.127 0.326 425 HG LEU 58 HG LEU 58 1.420 -10.644 2.169 426 1HD1 LEU 58 1HD1 LEU 58 4.052 -10.587 2.216 427 2HD1 LEU 58 2HD1 LEU 58 3.791 -8.850 2.502 428 3HD1 LEU 58 3HD1 LEU 58 3.094 -10.049 3.617 429 1HD2 LEU 58 1HD2 LEU 58 1.973 -7.775 2.113 430 2HD2 LEU 58 2HD2 LEU 58 0.978 -8.320 0.741 431 3HD2 LEU 58 3HD2 LEU 58 0.451 -8.650 2.409 432 H THR 59 H THR 59 4.098 -10.269 -2.692 433 HA THR 59 HA THR 59 6.710 -10.421 -1.545 434 HB THR 59 HB THR 59 5.558 -10.879 -4.345 435 HG1 THR 59 HG1 THR 59 5.016 -12.706 -3.220 436 1HG2 THR 59 1HG2 THR 59 7.617 -11.781 -5.025 437 2HG2 THR 59 2HG2 THR 59 8.194 -10.432 -4.018 438 3HG2 THR 59 3HG2 THR 59 8.148 -12.083 -3.353 439 H VAL 60 H VAL 60 5.201 -8.382 -4.131 440 HA VAL 60 HA VAL 60 7.563 -6.868 -4.493 441 HB VAL 60 HB VAL 60 4.682 -6.261 -5.191 442 1HG1 VAL 60 1HG1 VAL 60 6.891 -5.208 -6.862 443 2HG1 VAL 60 2HG1 VAL 60 5.360 -4.448 -6.364 444 3HG1 VAL 60 3HG1 VAL 60 6.741 -4.486 -5.241 445 1HG2 VAL 60 1HG2 VAL 60 6.785 -7.419 -7.032 446 2HG2 VAL 60 2HG2 VAL 60 5.697 -8.445 -6.065 447 3HG2 VAL 60 3HG2 VAL 60 5.024 -7.323 -7.272 448 H ILE 61 H ILE 61 4.609 -6.546 -2.473 449 HA ILE 61 HA ILE 61 5.030 -3.928 -1.646 450 HB ILE 61 HB ILE 61 3.571 -6.300 -0.554 451 1HG1 ILE 61 1HG1 ILE 61 2.495 -3.572 -1.268 452 2HG1 ILE 61 2HG1 ILE 61 2.801 -4.782 -2.498 453 1HG2 ILE 61 1HG2 ILE 61 2.695 -4.932 1.284 454 2HG2 ILE 61 2HG2 ILE 61 4.449 -5.194 1.432 455 3HG2 ILE 61 3HG2 ILE 61 3.828 -3.629 0.855 456 1HD1 ILE 61 1HD1 ILE 61 1.426 -6.360 -0.826 457 2HD1 ILE 61 2HD1 ILE 61 0.771 -4.800 -0.275 458 3HD1 ILE 61 3HD1 ILE 61 0.591 -5.290 -1.977 459 H PHE 62 H PHE 62 6.188 -7.069 -0.274 460 HA PHE 62 HA PHE 62 7.434 -6.017 1.956 461 1HB PHE 62 1HB PHE 62 7.430 -8.448 0.242 462 2HB PHE 62 2HB PHE 62 9.000 -8.183 0.972 463 HD1 PHE 62 HD1 PHE 62 5.468 -7.837 2.161 464 HD2 PHE 62 HD2 PHE 62 9.321 -9.485 2.835 465 HE1 PHE 62 HE1 PHE 62 4.652 -8.875 4.296 466 HE2 PHE 62 HE2 PHE 62 8.504 -10.522 4.969 467 HZ PHE 62 HZ PHE 62 6.179 -10.205 5.675 468 H GLU 63 H GLU 63 8.491 -6.196 -1.457 469 HA GLU 63 HA GLU 63 11.177 -5.715 -0.995 470 1HB GLU 63 1HB GLU 63 9.417 -5.037 -3.390 471 2HB GLU 63 2HB GLU 63 11.165 -4.919 -3.405 472 1HG GLU 63 1HG GLU 63 11.456 -7.273 -3.151 473 2HG GLU 63 2HG GLU 63 9.826 -7.507 -2.553 474 H VAL 64 H VAL 64 8.458 -3.438 -1.782 475 HA VAL 64 HA VAL 64 10.062 -1.133 -1.635 476 HB VAL 64 HB VAL 64 7.120 -1.727 -1.579 477 1HG1 VAL 64 1HG1 VAL 64 6.761 0.777 -1.720 478 2HG1 VAL 64 2HG1 VAL 64 7.237 0.157 -0.121 479 3HG1 VAL 64 3HG1 VAL 64 8.437 0.970 -1.153 480 1HG2 VAL 64 1HG2 VAL 64 8.737 -0.060 -3.526 481 2HG2 VAL 64 2HG2 VAL 64 8.515 -1.818 -3.697 482 3HG2 VAL 64 3HG2 VAL 64 7.104 -0.734 -3.744 483 H LYS 65 H LYS 65 8.135 -2.998 0.753 484 HA LYS 65 HA LYS 65 8.319 -1.089 2.805 485 1HB LYS 65 1HB LYS 65 6.622 -2.746 2.926 486 2HB LYS 65 2HB LYS 65 7.768 -4.060 2.753 487 1HG LYS 65 1HG LYS 65 8.847 -3.090 4.961 488 2HG LYS 65 2HG LYS 65 7.317 -2.257 5.153 489 1HD LYS 65 1HD LYS 65 6.102 -4.245 5.445 490 2HD LYS 65 2HD LYS 65 7.244 -5.208 4.527 491 1HE LYS 65 1HE LYS 65 8.690 -4.159 6.769 492 2HE LYS 65 2HE LYS 65 7.158 -4.737 7.395 493 1HZ LYS 65 1HZ LYS 65 8.164 -6.698 7.323 494 2HZ LYS 65 2HZ LYS 65 7.862 -6.689 5.718 495 3HZ LYS 65 3HZ LYS 65 9.323 -6.220 6.276 496 H ALA 66 H ALA 66 10.287 -4.030 2.013 497 HA ALA 66 HA ALA 66 12.041 -3.843 4.135 498 1HB ALA 66 1HB ALA 66 12.277 -5.816 2.985 499 2HB ALA 66 2HB ALA 66 12.026 -5.048 1.399 500 3HB ALA 66 3HB ALA 66 13.602 -4.911 2.215 501 H ILE 67 H ILE 67 11.695 -1.854 1.249 502 HA ILE 67 HA ILE 67 14.350 -0.793 1.395 503 HB ILE 67 HB ILE 67 11.879 -0.126 -0.187 504 1HG1 ILE 67 1HG1 ILE 67 14.581 -1.055 -1.171 505 2HG1 ILE 67 2HG1 ILE 67 13.340 -2.182 -0.660 506 1HG2 ILE 67 1HG2 ILE 67 12.878 2.000 0.153 507 2HG2 ILE 67 2HG2 ILE 67 14.516 1.354 -0.109 508 3HG2 ILE 67 3HG2 ILE 67 13.371 1.454 -1.468 509 1HD1 ILE 67 1HD1 ILE 67 13.512 -1.379 -3.204 510 2HD1 ILE 67 2HD1 ILE 67 11.930 -1.672 -2.444 511 3HD1 ILE 67 3HD1 ILE 67 12.550 -0.011 -2.596 512 H VAL 68 H VAL 68 11.013 0.395 2.185 513 HA VAL 68 HA VAL 68 11.938 2.825 3.266 514 HB VAL 68 HB VAL 68 9.727 3.222 3.787 515 1HG1 VAL 68 1HG1 VAL 68 8.828 1.221 1.851 516 2HG1 VAL 68 2HG1 VAL 68 8.837 2.998 1.743 517 3HG1 VAL 68 3HG1 VAL 68 10.300 2.073 1.326 518 1HG2 VAL 68 1HG2 VAL 68 9.205 0.236 3.969 519 2HG2 VAL 68 2HG2 VAL 68 9.466 1.321 5.355 520 3HG2 VAL 68 3HG2 VAL 68 8.044 1.542 4.307 521 H PHE 69 H PHE 69 11.503 -0.472 4.540 522 HA PHE 69 HA PHE 69 12.028 0.486 7.235 523 1HB PHE 69 1HB PHE 69 11.182 -2.103 5.848 524 2HB PHE 69 2HB PHE 69 11.780 -2.180 7.494 525 HD1 PHE 69 HD1 PHE 69 9.021 -1.146 5.354 526 HD2 PHE 69 HD2 PHE 69 10.507 -1.164 9.329 527 HE1 PHE 69 HE1 PHE 69 6.732 -0.578 6.212 528 HE2 PHE 69 HE2 PHE 69 8.218 -0.595 10.187 529 HZ PHE 69 HZ PHE 69 6.358 -0.309 8.619 530 H GLN 70 H GLN 70 14.156 0.815 5.285 531 HA GLN 70 HA GLN 70 15.944 -1.372 5.807 532 1HB GLN 70 1HB GLN 70 17.390 -0.366 4.185 533 2HB GLN 70 2HB GLN 70 15.763 -0.171 3.562 534 1HG GLN 70 1HG GLN 70 15.700 2.159 4.516 535 2HG GLN 70 2HG GLN 70 17.349 1.959 5.076 536 1HE2 GLN 70 1HE2 GLN 70 15.265 1.972 2.230 537 2HE2 GLN 70 2HE2 GLN 70 16.455 2.456 1.069 538 H ASP 71 H ASP 71 18.435 -0.159 6.053 539 HA ASP 71 HA ASP 71 18.118 1.115 8.645 540 1HB ASP 71 1HB ASP 71 19.466 -0.798 8.936 541 2HB ASP 71 2HB ASP 71 20.234 -0.621 7.371 542 H GLY 72 H GLY 72 19.175 3.151 9.031 543 1HA GLY 72 1HA GLY 72 20.837 4.758 8.459 544 2HA GLY 72 2HA GLY 72 20.695 4.294 6.775 545 HA PRO 73 HA PRO 73 17.973 7.895 7.510 546 1HB PRO 73 1HB PRO 73 19.220 9.701 5.881 547 2HB PRO 73 2HB PRO 73 19.509 9.608 7.607 548 1HG PRO 73 1HG PRO 73 21.234 8.694 5.387 549 2HG PRO 73 2HG PRO 73 21.665 9.000 7.057 550 1HD PRO 73 1HD PRO 73 21.269 6.439 5.829 551 2HD PRO 73 2HD PRO 73 21.587 6.751 7.524 552 H GLY 74 H GLY 74 18.821 5.835 5.104 553 1HA GLY 74 1HA GLY 74 17.369 7.016 2.945 554 2HA GLY 74 2HA GLY 74 17.971 5.374 3.060 555 H SER 75 H SER 75 16.642 4.708 5.611 556 HA SER 75 HA SER 75 14.352 3.626 4.663 557 1HB SER 75 1HB SER 75 13.683 3.452 7.120 558 2HB SER 75 2HB SER 75 15.268 2.819 6.722 559 HG SER 75 HG SER 75 15.631 5.422 7.300 560 H HIS 76 H HIS 76 12.033 4.120 5.122 561 HA HIS 76 HA HIS 76 11.612 7.007 5.408 562 1HB HIS 76 1HB HIS 76 9.756 5.286 3.797 563 2HB HIS 76 2HB HIS 76 10.028 7.015 3.709 564 HD1 HIS 76 HD1 HIS 76 12.592 7.665 2.779 565 HD2 HIS 76 HD2 HIS 76 11.041 3.884 1.834 566 HE1 HIS 76 HE1 HIS 76 13.946 6.814 0.791 567 HA PRO 77 HA PRO 77 9.331 5.242 8.771 568 1HB PRO 77 1HB PRO 77 9.454 7.431 10.404 569 2HB PRO 77 2HB PRO 77 10.667 6.166 10.403 570 1HG PRO 77 1HG PRO 77 10.827 8.889 9.263 571 2HG PRO 77 2HG PRO 77 12.130 7.782 9.649 572 1HD PRO 77 1HD PRO 77 11.088 8.362 7.040 573 2HD PRO 77 2HD PRO 77 12.310 7.171 7.440 574 H ASP 78 H ASP 78 8.708 7.715 6.628 575 HA ASP 78 HA ASP 78 6.190 8.367 7.823 576 1HB ASP 78 1HB ASP 78 7.788 9.254 5.432 577 2HB ASP 78 2HB ASP 78 6.054 9.498 5.357 578 H GLN 79 H GLN 79 7.588 6.480 5.096 579 HA GLN 79 HA GLN 79 4.966 5.804 4.135 580 1HB GLN 79 1HB GLN 79 7.768 5.049 3.208 581 2HB GLN 79 2HB GLN 79 6.313 4.451 2.437 582 1HG GLN 79 1HG GLN 79 6.187 6.355 1.218 583 2HG GLN 79 2HG GLN 79 5.966 7.277 2.692 584 1HE2 GLN 79 1HE2 GLN 79 8.331 5.925 0.464 585 2HE2 GLN 79 2HE2 GLN 79 9.632 7.017 0.806 586 H GLN 80 H GLN 80 7.264 4.661 6.445 587 HA GLN 80 HA GLN 80 7.135 1.974 6.254 588 1HB GLN 80 1HB GLN 80 7.557 3.943 8.427 589 2HB GLN 80 2HB GLN 80 6.994 2.384 8.998 590 1HG GLN 80 1HG GLN 80 8.843 1.226 7.900 591 2HG GLN 80 2HG GLN 80 9.329 2.684 7.056 592 1HE2 GLN 80 1HE2 GLN 80 11.404 2.195 8.028 593 2HE2 GLN 80 2HE2 GLN 80 11.770 2.755 9.625 594 HA PRO 81 HA PRO 81 2.983 2.112 8.558 595 1HB PRO 81 1HB PRO 81 1.643 4.483 8.784 596 2HB PRO 81 2HB PRO 81 2.668 3.836 10.051 597 1HG PRO 81 1HG PRO 81 3.213 6.059 8.179 598 2HG PRO 81 2HG PRO 81 4.010 5.677 9.692 599 1HD PRO 81 1HD PRO 81 5.013 5.181 7.052 600 2HD PRO 81 2HD PRO 81 5.756 4.696 8.563 601 H TYR 82 H TYR 82 3.530 3.974 5.742 602 HA TYR 82 HA TYR 82 0.875 3.623 4.731 603 1HB TYR 82 1HB TYR 82 3.641 4.461 3.684 604 2HB TYR 82 2HB TYR 82 2.262 4.391 2.604 605 HD1 TYR 82 HD1 TYR 82 1.452 6.497 2.097 606 HD2 TYR 82 HD2 TYR 82 2.799 5.721 6.082 607 HE1 TYR 82 HE1 TYR 82 0.802 8.857 2.783 608 HE2 TYR 82 HE2 TYR 82 2.145 8.084 6.756 609 HH TYR 82 HH TYR 82 1.550 10.063 6.017 610 H ILE 83 H ILE 83 4.137 2.193 4.021 611 HA ILE 83 HA ILE 83 3.151 0.427 2.068 612 HB ILE 83 HB ILE 83 5.491 1.220 2.311 613 1HG1 ILE 83 1HG1 ILE 83 6.520 -1.026 1.777 614 2HG1 ILE 83 2HG1 ILE 83 4.980 -1.763 2.172 615 1HG2 ILE 83 1HG2 ILE 83 5.891 1.095 4.642 616 2HG2 ILE 83 2HG2 ILE 83 5.458 -0.630 4.702 617 3HG2 ILE 83 3HG2 ILE 83 6.953 -0.116 3.884 618 1HD1 ILE 83 1HD1 ILE 83 5.431 -1.161 -0.319 619 2HD1 ILE 83 2HD1 ILE 83 3.855 -0.696 0.367 620 3HD1 ILE 83 3HD1 ILE 83 5.139 0.523 0.177 621 H THR 84 H THR 84 3.500 0.272 5.623 622 HA THR 84 HA THR 84 3.165 -2.470 5.945 623 HB THR 84 HB THR 84 2.508 -0.009 7.629 624 HG1 THR 84 HG1 THR 84 4.466 -0.937 8.670 625 1HG2 THR 84 1HG2 THR 84 2.795 -2.030 9.443 626 2HG2 THR 84 2HG2 THR 84 1.201 -1.483 8.871 627 3HG2 THR 84 3HG2 THR 84 1.962 -2.920 8.146 628 H VAL 85 H VAL 85 0.666 0.147 5.807 629 HA VAL 85 HA VAL 85 -1.518 -1.486 6.219 630 HB VAL 85 HB VAL 85 -1.076 1.091 4.734 631 1HG1 VAL 85 1HG1 VAL 85 -3.430 -0.670 4.612 632 2HG1 VAL 85 2HG1 VAL 85 -3.798 0.993 5.131 633 3HG1 VAL 85 3HG1 VAL 85 -2.969 0.706 3.582 634 1HG2 VAL 85 1HG2 VAL 85 -2.921 1.277 6.904 635 2HG2 VAL 85 2HG2 VAL 85 -1.510 0.347 7.461 636 3HG2 VAL 85 3HG2 VAL 85 -1.288 1.972 6.770 637 H TRP 86 H TRP 86 0.282 -0.704 3.192 638 HA TRP 86 HA TRP 86 -1.427 -1.910 1.395 639 1HB TRP 86 1HB TRP 86 1.486 -1.284 1.465 640 2HB TRP 86 2HB TRP 86 0.910 -2.365 0.212 641 HD1 TRP 86 HD1 TRP 86 0.726 1.314 1.274 642 HE1 TRP 86 HE1 TRP 86 -0.311 2.822 -0.628 643 HE3 TRP 86 HE3 TRP 86 -0.729 -2.537 -1.710 644 HZ2 TRP 86 HZ2 TRP 86 -1.593 2.247 -3.111 645 HZ3 TRP 86 HZ3 TRP 86 -1.866 -1.977 -3.857 646 HH2 TRP 86 HH2 TRP 86 -2.304 0.319 -4.573 647 H GLN 87 H GLN 87 1.219 -3.271 3.451 648 HA GLN 87 HA GLN 87 1.033 -5.840 2.387 649 1HB GLN 87 1HB GLN 87 2.993 -4.985 3.657 650 2HB GLN 87 2HB GLN 87 2.031 -4.924 5.120 651 1HG GLN 87 1HG GLN 87 1.580 -7.525 4.359 652 2HG GLN 87 2HG GLN 87 3.189 -7.291 3.705 653 1HE2 GLN 87 1HE2 GLN 87 1.615 -8.440 6.253 654 2HE2 GLN 87 2HE2 GLN 87 2.734 -8.155 7.544 655 H ASP 88 H ASP 88 -0.544 -4.195 5.177 656 HA ASP 88 HA ASP 88 -1.704 -6.456 6.254 657 1HB ASP 88 1HB ASP 88 -1.560 -3.890 7.022 658 2HB ASP 88 2HB ASP 88 -3.143 -3.798 6.274 659 H LEU 89 H LEU 89 -2.765 -4.080 3.741 660 HA LEU 89 HA LEU 89 -5.377 -4.915 3.436 661 1HB LEU 89 1HB LEU 89 -3.360 -3.573 1.683 662 2HB LEU 89 2HB LEU 89 -4.878 -4.100 0.984 663 HG LEU 89 HG LEU 89 -5.014 -2.483 3.490 664 1HD1 LEU 89 1HD1 LEU 89 -4.241 -0.541 2.681 665 2HD1 LEU 89 2HD1 LEU 89 -3.340 -1.564 1.536 666 3HD1 LEU 89 3HD1 LEU 89 -4.892 -0.839 1.052 667 1HD2 LEU 89 1HD2 LEU 89 -7.151 -2.265 2.913 668 2HD2 LEU 89 2HD2 LEU 89 -6.730 -1.724 1.270 669 3HD2 LEU 89 3HD2 LEU 89 -6.844 -3.463 1.633 670 H VAL 90 H VAL 90 -2.412 -6.021 1.651 671 HA VAL 90 HA VAL 90 -3.719 -7.943 0.131 672 HB VAL 90 HB VAL 90 -0.875 -7.800 1.148 673 1HG1 VAL 90 1HG1 VAL 90 -0.252 -9.506 -0.264 674 2HG1 VAL 90 2HG1 VAL 90 -1.878 -10.062 0.202 675 3HG1 VAL 90 3HG1 VAL 90 -1.629 -9.251 -1.363 676 1HG2 VAL 90 1HG2 VAL 90 -0.493 -6.968 -1.242 677 2HG2 VAL 90 2HG2 VAL 90 -2.255 -6.730 -1.322 678 3HG2 VAL 90 3HG2 VAL 90 -1.292 -5.847 -0.114 679 H GLN 91 H GLN 91 -1.825 -8.353 3.211 680 HA GLN 91 HA GLN 91 -2.101 -10.936 3.633 681 1HB GLN 91 1HB GLN 91 -2.421 -8.646 5.604 682 2HB GLN 91 2HB GLN 91 -2.385 -10.313 6.141 683 1HG GLN 91 1HG GLN 91 -0.203 -9.927 4.284 684 2HG GLN 91 2HG GLN 91 -0.161 -8.617 5.448 685 1HE2 GLN 91 1HE2 GLN 91 1.425 -11.167 4.937 686 2HE2 GLN 91 2HE2 GLN 91 1.570 -11.928 6.486 687 H ASN 92 H ASN 92 -4.682 -8.479 4.263 688 HA ASN 92 HA ASN 92 -6.526 -10.729 4.468 689 1HB ASN 92 1HB ASN 92 -6.381 -8.075 5.923 690 2HB ASN 92 2HB ASN 92 -7.963 -8.777 5.646 691 1HD2 ASN 92 1HD2 ASN 92 -4.886 -9.096 7.233 692 2HD2 ASN 92 2HD2 ASN 92 -5.300 -10.359 8.343 693 H SER 93 H SER 93 -5.943 -9.964 1.914 694 HA SER 93 HA SER 93 -6.848 -7.809 0.734 695 1HB SER 93 1HB SER 93 -7.565 -9.286 -1.204 696 2HB SER 93 2HB SER 93 -5.960 -9.613 -0.583 697 HG SER 93 HG SER 93 -8.235 -11.238 -0.597 698 HA PRO 94 HA PRO 94 -11.080 -7.618 1.926 699 1HB PRO 94 1HB PRO 94 -11.608 -5.125 0.941 700 2HB PRO 94 2HB PRO 94 -10.915 -5.401 2.526 701 1HG PRO 94 1HG PRO 94 -9.588 -4.442 0.065 702 2HG PRO 94 2HG PRO 94 -9.040 -4.324 1.726 703 1HD PRO 94 1HD PRO 94 -8.098 -6.162 -0.265 704 2HD PRO 94 2HD PRO 94 -7.635 -6.118 1.424 705 HA PRO 95 HA PRO 95 -13.412 -8.574 -1.491 706 1HB PRO 95 1HB PRO 95 -15.886 -7.509 -1.026 707 2HB PRO 95 2HB PRO 95 -15.327 -8.995 -0.284 708 1HG PRO 95 1HG PRO 95 -15.609 -6.312 0.925 709 2HG PRO 95 2HG PRO 95 -15.468 -7.866 1.723 710 1HD PRO 95 1HD PRO 95 -13.410 -5.889 1.442 711 2HD PRO 95 2HD PRO 95 -13.239 -7.488 2.137 712 H TRP 96 H TRP 96 -13.122 -5.239 -0.750 713 HA TRP 96 HA TRP 96 -14.165 -4.406 -3.292 714 1HB TRP 96 1HB TRP 96 -13.450 -2.178 -2.574 715 2HB TRP 96 2HB TRP 96 -14.475 -2.976 -1.398 716 HD1 TRP 96 HD1 TRP 96 -13.382 -3.493 1.009 717 HE1 TRP 96 HE1 TRP 96 -11.166 -2.802 2.264 718 HE3 TRP 96 HE3 TRP 96 -10.982 -1.716 -3.107 719 HZ2 TRP 96 HZ2 TRP 96 -8.713 -1.616 1.414 720 HZ3 TRP 96 HZ3 TRP 96 -8.680 -0.809 -2.807 721 HH2 TRP 96 HH2 TRP 96 -7.546 -0.741 -0.643 722 H ILE 97 H ILE 97 -11.440 -6.085 -2.346 723 HA ILE 97 HA ILE 97 -9.800 -4.795 -4.416 724 HB ILE 97 HB ILE 97 -9.093 -6.089 -1.805 725 1HG1 ILE 97 1HG1 ILE 97 -8.374 -3.472 -3.151 726 2HG1 ILE 97 2HG1 ILE 97 -9.420 -3.696 -1.763 727 1HG2 ILE 97 1HG2 ILE 97 -7.808 -7.102 -3.800 728 2HG2 ILE 97 2HG2 ILE 97 -7.009 -5.514 -3.900 729 3HG2 ILE 97 3HG2 ILE 97 -6.881 -6.483 -2.412 730 1HD1 ILE 97 1HD1 ILE 97 -6.566 -4.711 -1.666 731 2HD1 ILE 97 2HD1 ILE 97 -6.918 -2.991 -1.374 732 3HD1 ILE 97 3HD1 ILE 97 -7.631 -4.237 -0.321 733 H LYS 98 H LYS 98 -10.275 -8.006 -2.769 734 HA LYS 98 HA LYS 98 -10.278 -9.187 -5.454 735 1HB LYS 98 1HB LYS 98 -8.496 -9.767 -3.154 736 2HB LYS 98 2HB LYS 98 -9.166 -11.168 -3.966 737 1HG LYS 98 1HG LYS 98 -8.332 -9.258 -5.979 738 2HG LYS 98 2HG LYS 98 -7.015 -9.474 -4.843 739 1HD LYS 98 1HD LYS 98 -6.685 -11.689 -5.420 740 2HD LYS 98 2HD LYS 98 -8.391 -11.991 -5.683 741 1HE LYS 98 1HE LYS 98 -7.974 -10.290 -7.753 742 2HE LYS 98 2HE LYS 98 -6.338 -10.896 -7.592 743 1HZ LYS 98 1HZ LYS 98 -7.270 -12.435 -8.949 744 2HZ LYS 98 2HZ LYS 98 -7.558 -13.159 -7.513 745 3HZ LYS 98 3HZ LYS 98 -8.755 -12.350 -8.275 746 H SER 99 H SER 99 -12.046 -10.415 -5.860 747 HA SER 99 HA SER 99 -13.318 -11.730 -3.650 748 1HB SER 99 1HB SER 99 -14.271 -9.228 -4.321 749 2HB SER 99 2HB SER 99 -15.266 -10.247 -5.342 750 HG SER 99 HG SER 99 -15.222 -10.000 -2.530 751 H GLY 100 H GLY 100 -13.821 -10.733 -7.120 752 1HA GLY 100 1HA GLY 100 -14.398 -13.569 -7.736 753 2HA GLY 100 2HA GLY 100 -15.105 -12.196 -8.565 754 HA PRO 101 HA PRO 101 -10.584 -12.844 -9.935 755 1HB PRO 101 1HB PRO 101 -9.691 -15.426 -9.869 756 2HB PRO 101 2HB PRO 101 -9.307 -14.247 -8.631 757 1HG PRO 101 1HG PRO 101 -11.218 -16.498 -8.515 758 2HG PRO 101 2HG PRO 101 -10.512 -15.589 -7.194 759 1HD PRO 101 1HD PRO 101 -13.176 -15.328 -8.226 760 2HD PRO 101 2HD PRO 101 -12.432 -14.341 -6.984 761 H SER 102 H SER 102 -9.840 -13.194 -12.063 762 HA SER 102 HA SER 102 -10.097 -13.684 -14.161 763 1HB SER 102 1HB SER 102 -10.158 -16.067 -13.318 764 2HB SER 102 2HB SER 102 -11.908 -15.979 -13.291 765 HG SER 102 HG SER 102 -10.480 -15.334 -15.700 766 H SER 103 H SER 103 -11.303 -11.600 -14.255 767 HA SER 103 HA SER 103 -14.115 -12.098 -14.848 768 1HB SER 103 1HB SER 103 -13.235 -10.553 -12.764 769 2HB SER 103 2HB SER 103 -13.308 -9.341 -14.027 770 HG SER 103 HG SER 103 -15.574 -10.513 -14.389 771 H GLY 104 H GLY 104 -13.347 -12.485 -17.094 772 1HA GLY 104 1HA GLY 104 -13.199 -9.986 -18.577 773 2HA GLY 104 2HA GLY 104 -11.802 -11.036 -18.708 Start of MODEL 9 1 1H GLY 0 1H GLY 0 -14.084 -7.891 -7.617 2 1HA GLY 0 1HA GLY 0 -12.319 -9.785 -7.614 3 2HA GLY 0 2HA GLY 0 -14.020 -10.203 -7.554 4 H SER 1 H SER 1 -11.243 -11.133 -8.985 5 HA SER 1 HA SER 1 -10.665 -12.159 -10.812 6 1HB SER 1 1HB SER 1 -13.252 -13.146 -10.095 7 2HB SER 1 2HB SER 1 -13.228 -13.047 -11.845 8 HG SER 1 HG SER 1 -11.956 -14.843 -10.188 9 H SER 2 H SER 2 -9.973 -10.357 -12.076 10 HA SER 2 HA SER 2 -11.701 -9.846 -14.313 11 1HB SER 2 1HB SER 2 -11.456 -7.960 -12.164 12 2HB SER 2 2HB SER 2 -10.580 -7.297 -13.529 13 HG SER 2 HG SER 2 -12.832 -6.688 -13.570 14 H GLY 3 H GLY 3 -10.493 -8.951 -16.174 15 1HA GLY 3 1HA GLY 3 -7.579 -9.372 -15.883 16 2HA GLY 3 2HA GLY 3 -8.515 -9.735 -17.320 17 H SER 4 H SER 4 -6.344 -7.565 -16.095 18 HA SER 4 HA SER 4 -5.826 -5.471 -16.438 19 1HB SER 4 1HB SER 4 -7.039 -6.145 -19.152 20 2HB SER 4 2HB SER 4 -6.099 -4.696 -18.854 21 HG SER 4 HG SER 4 -5.061 -6.891 -19.656 22 H SER 5 H SER 5 -7.510 -4.790 -14.811 23 HA SER 5 HA SER 5 -8.987 -2.666 -15.814 24 1HB SER 5 1HB SER 5 -10.381 -4.903 -16.365 25 2HB SER 5 2HB SER 5 -10.890 -4.714 -14.698 26 HG SER 5 HG SER 5 -11.508 -3.153 -16.961 27 H GLY 6 H GLY 6 -9.616 -1.281 -14.084 28 1HA GLY 6 1HA GLY 6 -9.741 -0.514 -11.973 29 2HA GLY 6 2HA GLY 6 -9.986 -2.160 -11.426 30 H THR 7 H THR 7 -8.098 0.385 -10.801 31 HA THR 7 HA THR 7 -5.600 -1.159 -10.647 32 HB THR 7 HB THR 7 -4.754 1.305 -10.175 33 HG1 THR 7 HG1 THR 7 -6.327 2.836 -10.981 34 1HG2 THR 7 1HG2 THR 7 -4.044 1.050 -12.333 35 2HG2 THR 7 2HG2 THR 7 -5.362 -0.099 -12.665 36 3HG2 THR 7 3HG2 THR 7 -5.633 1.648 -12.868 37 HA PRO 8 HA PRO 8 -5.801 -1.290 -6.365 38 1HB PRO 8 1HB PRO 8 -3.185 -1.097 -5.600 39 2HB PRO 8 2HB PRO 8 -3.896 -2.575 -6.216 40 1HG PRO 8 1HG PRO 8 -2.065 -0.693 -7.574 41 2HG PRO 8 2HG PRO 8 -2.443 -2.352 -7.993 42 1HD PRO 8 1HD PRO 8 -3.433 0.012 -9.282 43 2HD PRO 8 2HD PRO 8 -3.899 -1.642 -9.625 44 H LEU 9 H LEU 9 -3.662 1.321 -7.382 45 HA LEU 9 HA LEU 9 -3.810 2.796 -5.067 46 1HB LEU 9 1HB LEU 9 -2.813 3.081 -7.688 47 2HB LEU 9 2HB LEU 9 -3.801 4.497 -7.389 48 HG LEU 9 HG LEU 9 -1.484 3.546 -5.682 49 1HD1 LEU 9 1HD1 LEU 9 -0.181 4.665 -7.082 50 2HD1 LEU 9 2HD1 LEU 9 -1.589 5.147 -8.059 51 3HD1 LEU 9 3HD1 LEU 9 -1.068 6.157 -6.689 52 1HD2 LEU 9 1HD2 LEU 9 -1.775 5.714 -4.489 53 2HD2 LEU 9 2HD2 LEU 9 -3.312 5.939 -5.359 54 3HD2 LEU 9 3HD2 LEU 9 -3.113 4.566 -4.244 55 H SER 10 H SER 10 -6.008 2.822 -7.944 56 HA SER 10 HA SER 10 -7.647 4.821 -6.905 57 1HB SER 10 1HB SER 10 -7.664 2.935 -9.182 58 2HB SER 10 2HB SER 10 -9.273 3.314 -8.600 59 HG SER 10 HG SER 10 -7.390 4.960 -9.898 60 H LEU 11 H LEU 11 -7.561 1.256 -6.596 61 HA LEU 11 HA LEU 11 -10.133 1.012 -5.451 62 1HB LEU 11 1HB LEU 11 -7.699 -0.749 -5.587 63 2HB LEU 11 2HB LEU 11 -9.119 -1.220 -4.675 64 HG LEU 11 HG LEU 11 -9.419 -0.411 -7.552 65 1HD1 LEU 11 1HD1 LEU 11 -9.011 -3.297 -7.054 66 2HD1 LEU 11 2HD1 LEU 11 -8.540 -2.284 -8.440 67 3HD1 LEU 11 3HD1 LEU 11 -7.553 -2.280 -6.959 68 1HD2 LEU 11 1HD2 LEU 11 -11.283 -1.000 -5.755 69 2HD2 LEU 11 2HD2 LEU 11 -11.437 -1.467 -7.465 70 3HD2 LEU 11 3HD2 LEU 11 -10.893 -2.661 -6.262 71 H THR 12 H THR 12 -6.849 1.665 -4.194 72 HA THR 12 HA THR 12 -7.668 1.373 -1.458 73 HB THR 12 HB THR 12 -5.296 2.448 -1.191 74 HG1 THR 12 HG1 THR 12 -4.956 1.649 -3.913 75 1HG2 THR 12 1HG2 THR 12 -5.825 -0.135 -2.726 76 2HG2 THR 12 2HG2 THR 12 -4.167 0.394 -2.353 77 3HG2 THR 12 3HG2 THR 12 -5.310 0.051 -1.032 78 H LEU 13 H LEU 13 -6.789 4.186 -3.573 79 HA LEU 13 HA LEU 13 -7.306 6.135 -1.695 80 1HB LEU 13 1HB LEU 13 -7.106 5.966 -4.638 81 2HB LEU 13 2HB LEU 13 -7.975 7.356 -4.019 82 HG LEU 13 HG LEU 13 -5.674 7.950 -4.375 83 1HD1 LEU 13 1HD1 LEU 13 -7.017 8.622 -2.207 84 2HD1 LEU 13 2HD1 LEU 13 -5.731 7.697 -1.395 85 3HD1 LEU 13 3HD1 LEU 13 -5.313 9.090 -2.422 86 1HD2 LEU 13 1HD2 LEU 13 -4.800 5.844 -2.393 87 2HD2 LEU 13 2HD2 LEU 13 -4.834 5.562 -4.150 88 3HD2 LEU 13 3HD2 LEU 13 -3.797 6.841 -3.474 89 H ASP 14 H ASP 14 -9.522 4.278 -3.803 90 HA ASP 14 HA ASP 14 -11.738 5.878 -3.439 91 1HB ASP 14 1HB ASP 14 -11.257 2.976 -4.114 92 2HB ASP 14 2HB ASP 14 -12.896 3.459 -3.727 93 H HIS 15 H HIS 15 -10.348 3.111 -1.576 94 HA HIS 15 HA HIS 15 -12.432 3.493 0.436 95 1HB HIS 15 1HB HIS 15 -10.698 1.167 -0.348 96 2HB HIS 15 2HB HIS 15 -11.349 1.253 1.276 97 HD1 HIS 15 HD1 HIS 15 -14.191 2.040 1.014 98 HD2 HIS 15 HD2 HIS 15 -12.333 -0.413 -1.837 99 HE1 HIS 15 HE1 HIS 15 -16.064 0.778 -0.173 100 H TRP 16 H TRP 16 -10.507 5.522 0.254 101 HA TRP 16 HA TRP 16 -8.186 5.213 1.665 102 1HB TRP 16 1HB TRP 16 -8.778 7.226 0.448 103 2HB TRP 16 2HB TRP 16 -10.069 7.576 1.581 104 HD1 TRP 16 HD1 TRP 16 -9.300 9.539 3.112 105 HE1 TRP 16 HE1 TRP 16 -7.127 10.337 4.377 106 HE3 TRP 16 HE3 TRP 16 -6.313 5.779 1.440 107 HZ2 TRP 16 HZ2 TRP 16 -4.461 9.329 4.534 108 HZ3 TRP 16 HZ3 TRP 16 -3.937 5.760 2.197 109 HH2 TRP 16 HH2 TRP 16 -3.001 7.453 3.690 110 H SER 17 H SER 17 -11.580 5.515 2.790 111 HA SER 17 HA SER 17 -11.115 6.021 5.428 112 1HB SER 17 1HB SER 17 -13.322 5.430 3.829 113 2HB SER 17 2HB SER 17 -13.298 4.083 4.950 114 HG SER 17 HG SER 17 -14.485 6.177 5.562 115 H GLU 18 H GLU 18 -11.251 2.857 3.670 116 HA GLU 18 HA GLU 18 -10.935 1.294 5.945 117 1HB GLU 18 1HB GLU 18 -11.765 0.235 3.977 118 2HB GLU 18 2HB GLU 18 -10.447 0.830 2.988 119 1HG GLU 18 1HG GLU 18 -10.109 -1.559 3.484 120 2HG GLU 18 2HG GLU 18 -8.840 -0.611 4.232 121 H ILE 19 H ILE 19 -8.575 2.667 3.576 122 HA ILE 19 HA ILE 19 -6.319 1.410 4.640 123 HB ILE 19 HB ILE 19 -6.374 4.098 3.283 124 1HG1 ILE 19 1HG1 ILE 19 -7.776 2.875 1.871 125 2HG1 ILE 19 2HG1 ILE 19 -6.190 2.704 1.146 126 1HG2 ILE 19 1HG2 ILE 19 -4.225 3.344 2.359 127 2HG2 ILE 19 2HG2 ILE 19 -4.207 3.396 4.138 128 3HG2 ILE 19 3HG2 ILE 19 -4.356 1.836 3.294 129 1HD1 ILE 19 1HD1 ILE 19 -7.174 0.507 1.153 130 2HD1 ILE 19 2HD1 ILE 19 -5.945 0.503 2.441 131 3HD1 ILE 19 3HD1 ILE 19 -7.669 0.663 2.855 132 H ARG 20 H ARG 20 -8.096 4.389 5.525 133 HA ARG 20 HA ARG 20 -6.094 5.302 7.258 134 1HB ARG 20 1HB ARG 20 -9.060 5.917 6.932 135 2HB ARG 20 2HB ARG 20 -8.123 6.675 8.204 136 1HG ARG 20 1HG ARG 20 -6.436 7.224 6.199 137 2HG ARG 20 2HG ARG 20 -7.863 6.993 5.210 138 1HD ARG 20 1HD ARG 20 -7.413 9.401 6.031 139 2HD ARG 20 2HD ARG 20 -9.039 8.791 6.264 140 HE ARG 20 HE ARG 20 -8.688 8.749 8.596 141 1HH1 ARG 20 1HH1 ARG 20 -5.641 9.304 6.927 142 2HH1 ARG 20 2HH1 ARG 20 -4.776 9.711 8.372 143 1HH2 ARG 20 1HH2 ARG 20 -7.549 9.286 10.503 144 2HH2 ARG 20 2HH2 ARG 20 -5.869 9.700 10.420 145 H SER 21 H SER 21 -8.833 3.048 7.513 146 HA SER 21 HA SER 21 -9.051 3.090 10.291 147 1HB SER 21 1HB SER 21 -10.311 1.789 8.114 148 2HB SER 21 2HB SER 21 -9.688 0.489 9.110 149 HG SER 21 HG SER 21 -11.509 0.839 10.211 150 H ARG 22 H ARG 22 -7.191 1.021 7.973 151 HA ARG 22 HA ARG 22 -6.223 -0.746 9.835 152 1HB ARG 22 1HB ARG 22 -4.720 0.239 7.362 153 2HB ARG 22 2HB ARG 22 -4.539 -1.320 8.141 154 1HG ARG 22 1HG ARG 22 -7.332 -1.007 7.548 155 2HG ARG 22 2HG ARG 22 -6.452 -0.524 6.112 156 1HD ARG 22 1HD ARG 22 -5.049 -2.739 6.556 157 2HD ARG 22 2HD ARG 22 -6.430 -3.205 7.528 158 HE ARG 22 HE ARG 22 -7.287 -2.220 4.941 159 1HH1 ARG 22 1HH1 ARG 22 -5.897 -5.031 6.538 160 2HH1 ARG 22 2HH1 ARG 22 -6.500 -6.155 5.366 161 1HH2 ARG 22 1HH2 ARG 22 -8.083 -3.702 3.394 162 2HH2 ARG 22 2HH2 ARG 22 -7.752 -5.394 3.566 163 H ALA 23 H ALA 23 -5.261 2.570 8.989 164 HA ALA 23 HA ALA 23 -2.684 2.473 10.153 165 1HB ALA 23 1HB ALA 23 -3.781 5.118 10.203 166 2HB ALA 23 2HB ALA 23 -2.609 4.428 9.054 167 3HB ALA 23 3HB ALA 23 -4.354 4.315 8.721 168 H HIS 24 H HIS 24 -5.984 3.328 11.317 169 HA HIS 24 HA HIS 24 -5.133 4.310 13.796 170 1HB HIS 24 1HB HIS 24 -7.408 4.504 12.529 171 2HB HIS 24 2HB HIS 24 -7.808 3.005 13.344 172 HD1 HIS 24 HD1 HIS 24 -9.108 3.411 15.424 173 HD2 HIS 24 HD2 HIS 24 -6.325 6.465 14.701 174 HE1 HIS 24 HE1 HIS 24 -9.372 5.085 17.332 175 H ASN 25 H ASN 25 -6.135 1.040 12.642 176 HA ASN 25 HA ASN 25 -6.067 -0.135 15.155 177 1HB ASN 25 1HB ASN 25 -6.637 -0.931 12.503 178 2HB ASN 25 2HB ASN 25 -5.265 -1.927 12.945 179 1HD2 ASN 25 1HD2 ASN 25 -8.363 -0.740 14.225 180 2HD2 ASN 25 2HD2 ASN 25 -8.834 -2.189 15.048 181 H LEU 26 H LEU 26 -3.616 0.601 12.660 182 HA LEU 26 HA LEU 26 -1.603 -1.008 13.968 183 1HB LEU 26 1HB LEU 26 -1.579 0.774 11.532 184 2HB LEU 26 2HB LEU 26 -0.157 -0.046 12.146 185 HG LEU 26 HG LEU 26 -2.688 -1.451 11.247 186 1HD1 LEU 26 1HD1 LEU 26 -1.731 -0.395 9.326 187 2HD1 LEU 26 2HD1 LEU 26 -0.095 -0.937 9.771 188 3HD1 LEU 26 3HD1 LEU 26 -1.319 -2.126 9.265 189 1HD2 LEU 26 1HD2 LEU 26 -1.137 -3.451 11.202 190 2HD2 LEU 26 2HD2 LEU 26 0.022 -2.464 12.125 191 3HD2 LEU 26 3HD2 LEU 26 -1.578 -2.835 12.813 192 H SER 27 H SER 27 -3.054 2.015 14.453 193 HA SER 27 HA SER 27 -2.579 3.678 15.766 194 1HB SER 27 1HB SER 27 -0.091 2.118 16.594 195 2HB SER 27 2HB SER 27 -0.734 3.514 17.435 196 HG SER 27 HG SER 27 -1.563 0.855 17.513 197 H VAL 28 H VAL 28 -1.917 3.957 13.087 198 HA VAL 28 HA VAL 28 0.437 5.681 13.277 199 HB VAL 28 HB VAL 28 1.161 4.899 11.054 200 1HG1 VAL 28 1HG1 VAL 28 2.585 3.646 12.224 201 2HG1 VAL 28 2HG1 VAL 28 1.415 3.540 13.562 202 3HG1 VAL 28 3HG1 VAL 28 1.392 2.326 12.260 203 1HG2 VAL 28 1HG2 VAL 28 -0.828 2.637 11.431 204 2HG2 VAL 28 2HG2 VAL 28 -1.060 4.014 10.327 205 3HG2 VAL 28 3HG2 VAL 28 0.285 2.879 10.063 206 H GLU 29 H GLU 29 0.414 7.447 11.706 207 HA GLU 29 HA GLU 29 -2.307 7.926 10.768 208 1HB GLU 29 1HB GLU 29 -0.337 9.625 12.197 209 2HB GLU 29 2HB GLU 29 -1.109 10.421 10.840 210 1HG GLU 29 1HG GLU 29 -2.886 10.806 12.199 211 2HG GLU 29 2HG GLU 29 -3.238 9.092 12.102 212 H ILE 30 H ILE 30 -2.629 8.470 8.605 213 HA ILE 30 HA ILE 30 -0.260 9.054 7.011 214 HB ILE 30 HB ILE 30 -1.007 7.422 5.297 215 1HG1 ILE 30 1HG1 ILE 30 -2.867 6.500 7.504 216 2HG1 ILE 30 2HG1 ILE 30 -3.318 7.115 5.927 217 1HG2 ILE 30 1HG2 ILE 30 0.684 7.081 7.367 218 2HG2 ILE 30 2HG2 ILE 30 -0.450 5.745 7.677 219 3HG2 ILE 30 3HG2 ILE 30 0.394 5.851 6.113 220 1HD1 ILE 30 1HD1 ILE 30 -2.683 5.163 4.816 221 2HD1 ILE 30 2HD1 ILE 30 -1.461 4.741 6.039 222 3HD1 ILE 30 3HD1 ILE 30 -3.189 4.490 6.385 223 H LYS 31 H LYS 31 -0.796 10.081 4.937 224 HA LYS 31 HA LYS 31 -3.421 11.383 5.107 225 1HB LYS 31 1HB LYS 31 -0.690 12.356 4.465 226 2HB LYS 31 2HB LYS 31 -1.983 12.994 3.469 227 1HG LYS 31 1HG LYS 31 -3.091 13.125 6.026 228 2HG LYS 31 2HG LYS 31 -1.402 13.476 6.336 229 1HD LYS 31 1HD LYS 31 -2.681 14.870 3.996 230 2HD LYS 31 2HD LYS 31 -3.171 15.389 5.596 231 1HE LYS 31 1HE LYS 31 -1.079 16.257 6.117 232 2HE LYS 31 2HE LYS 31 -0.221 15.052 5.178 233 1HZ LYS 31 1HZ LYS 31 -0.010 16.722 3.747 234 2HZ LYS 31 2HZ LYS 31 -1.539 16.377 3.288 235 3HZ LYS 31 3HZ LYS 31 -1.258 17.585 4.352 236 H LYS 32 H LYS 32 -4.273 12.087 2.863 237 HA LYS 32 HA LYS 32 -4.129 9.721 1.183 238 1HB LYS 32 1HB LYS 32 -6.327 10.557 1.913 239 2HB LYS 32 2HB LYS 32 -6.014 12.097 1.138 240 1HG LYS 32 1HG LYS 32 -5.633 10.737 -1.047 241 2HG LYS 32 2HG LYS 32 -6.341 9.379 -0.195 242 1HD LYS 32 1HD LYS 32 -8.002 11.743 0.189 243 2HD LYS 32 2HD LYS 32 -7.711 11.504 -1.522 244 1HE LYS 32 1HE LYS 32 -8.237 8.907 -0.470 245 2HE LYS 32 2HE LYS 32 -9.416 9.964 0.282 246 1HZ LYS 32 1HZ LYS 32 -9.091 10.518 -2.477 247 2HZ LYS 32 2HZ LYS 32 -9.552 8.972 -2.222 248 3HZ LYS 32 3HZ LYS 32 -10.456 10.201 -1.638 249 H GLY 33 H GLY 33 -2.735 12.853 1.462 250 1HA GLY 33 1HA GLY 33 -2.439 13.366 -1.355 251 2HA GLY 33 2HA GLY 33 -1.703 14.232 -0.021 252 HA PRO 34 HA PRO 34 1.915 11.806 -0.329 253 1HB PRO 34 1HB PRO 34 2.430 10.618 2.078 254 2HB PRO 34 2HB PRO 34 2.739 12.314 1.761 255 1HG PRO 34 1HG PRO 34 0.556 11.091 3.334 256 2HG PRO 34 2HG PRO 34 1.127 12.747 3.352 257 1HD PRO 34 1HD PRO 34 -1.249 11.765 2.080 258 2HD PRO 34 2HD PRO 34 -0.616 13.398 2.002 259 H TRP 35 H TRP 35 -0.605 9.843 1.090 260 HA TRP 35 HA TRP 35 0.447 7.361 0.670 261 1HB TRP 35 1HB TRP 35 -1.581 7.586 1.848 262 2HB TRP 35 2HB TRP 35 -2.373 8.402 0.514 263 HD1 TRP 35 HD1 TRP 35 -3.165 6.796 -1.589 264 HE1 TRP 35 HE1 TRP 35 -3.764 4.234 -1.793 265 HE3 TRP 35 HE3 TRP 35 -0.926 5.389 2.754 266 HZ2 TRP 35 HZ2 TRP 35 -3.245 1.957 -0.151 267 HZ3 TRP 35 HZ3 TRP 35 -1.018 2.978 3.380 268 HH2 TRP 35 HH2 TRP 35 -2.127 1.287 2.007 269 H ARG 36 H ARG 36 -1.224 9.581 -1.646 270 HA ARG 36 HA ARG 36 -1.097 7.725 -3.747 271 1HB ARG 36 1HB ARG 36 -2.652 9.809 -3.449 272 2HB ARG 36 2HB ARG 36 -1.310 10.750 -4.070 273 1HG ARG 36 1HG ARG 36 -1.991 10.233 -6.169 274 2HG ARG 36 2HG ARG 36 -1.534 8.569 -5.862 275 1HD ARG 36 1HD ARG 36 -3.708 7.892 -5.729 276 2HD ARG 36 2HD ARG 36 -4.126 9.187 -4.625 277 HE ARG 36 HE ARG 36 -4.411 9.217 -7.550 278 1HH1 ARG 36 1HH1 ARG 36 -4.253 11.167 -4.625 279 2HH1 ARG 36 2HH1 ARG 36 -5.071 12.521 -5.330 280 1HH2 ARG 36 1HH2 ARG 36 -5.490 11.003 -8.481 281 2HH2 ARG 36 2HH2 ARG 36 -5.780 12.427 -7.538 282 H THR 37 H THR 37 0.821 10.648 -2.789 283 HA THR 37 HA THR 37 2.527 10.730 -4.975 284 HB THR 37 HB THR 37 2.886 11.487 -2.030 285 HG1 THR 37 HG1 THR 37 2.284 12.891 -4.539 286 1HG2 THR 37 1HG2 THR 37 4.312 13.079 -4.055 287 2HG2 THR 37 2HG2 THR 37 4.927 12.401 -2.529 288 3HG2 THR 37 3HG2 THR 37 4.910 11.403 -4.003 289 H PHE 38 H PHE 38 2.968 8.991 -1.825 290 HA PHE 38 HA PHE 38 5.436 7.918 -2.436 291 1HB PHE 38 1HB PHE 38 3.007 7.061 -0.778 292 2HB PHE 38 2HB PHE 38 4.452 6.070 -0.788 293 HD1 PHE 38 HD1 PHE 38 6.548 8.195 -0.815 294 HD2 PHE 38 HD2 PHE 38 2.947 7.881 1.407 295 HE1 PHE 38 HE1 PHE 38 7.541 9.623 0.995 296 HE2 PHE 38 HE2 PHE 38 3.939 9.309 3.217 297 HZ PHE 38 HZ PHE 38 6.224 10.163 2.990 298 H CYS 39 H CYS 39 2.255 7.141 -3.697 299 HA CYS 39 HA CYS 39 3.366 4.684 -4.843 300 1HB CYS 39 1HB CYS 39 1.290 4.546 -3.327 301 2HB CYS 39 2HB CYS 39 0.416 5.321 -4.634 302 HG CYS 39 HG CYS 39 1.860 3.452 -6.337 303 H ALA 40 H ALA 40 3.394 7.770 -5.554 304 HA ALA 40 HA ALA 40 2.078 7.599 -8.159 305 1HB ALA 40 1HB ALA 40 3.322 9.966 -6.702 306 2HB ALA 40 2HB ALA 40 2.357 10.030 -8.196 307 3HB ALA 40 3HB ALA 40 1.596 9.534 -6.665 308 H SER 41 H SER 41 5.249 8.403 -6.594 309 HA SER 41 HA SER 41 6.599 7.159 -8.747 310 1HB SER 41 1HB SER 41 5.978 9.752 -9.305 311 2HB SER 41 2HB SER 41 7.481 10.004 -8.440 312 HG SER 41 HG SER 41 7.958 9.737 -10.657 313 H GLU 42 H GLU 42 6.403 6.723 -5.923 314 HA GLU 42 HA GLU 42 9.074 7.555 -5.092 315 1HB GLU 42 1HB GLU 42 6.986 8.426 -3.786 316 2HB GLU 42 2HB GLU 42 6.853 6.792 -3.167 317 1HG GLU 42 1HG GLU 42 8.287 7.526 -1.541 318 2HG GLU 42 2HG GLU 42 9.529 7.245 -2.745 319 H TRP 43 H TRP 43 6.537 4.976 -4.788 320 HA TRP 43 HA TRP 43 8.459 3.069 -3.852 321 1HB TRP 43 1HB TRP 43 5.549 2.927 -4.620 322 2HB TRP 43 2HB TRP 43 6.477 1.496 -4.217 323 HD1 TRP 43 HD1 TRP 43 8.092 3.377 -1.816 324 HE1 TRP 43 HE1 TRP 43 6.925 3.623 0.538 325 HE3 TRP 43 HE3 TRP 43 3.434 2.095 -3.404 326 HZ2 TRP 43 HZ2 TRP 43 4.246 3.262 1.452 327 HZ3 TRP 43 HZ3 TRP 43 1.599 2.066 -1.716 328 HH2 TRP 43 HH2 TRP 43 1.946 2.622 0.638 329 HA PRO 44 HA PRO 44 7.870 1.800 -8.401 330 1HB PRO 44 1HB PRO 44 6.840 3.623 -10.157 331 2HB PRO 44 2HB PRO 44 5.876 2.370 -9.401 332 1HG PRO 44 1HG PRO 44 5.963 5.262 -8.793 333 2HG PRO 44 2HG PRO 44 4.736 4.087 -8.365 334 1HD PRO 44 1HD PRO 44 6.744 5.179 -6.633 335 2HD PRO 44 2HD PRO 44 5.591 3.920 -6.238 336 H THR 45 H THR 45 9.354 4.302 -7.028 337 HA THR 45 HA THR 45 11.227 4.505 -9.295 338 HB THR 45 HB THR 45 11.666 6.844 -8.255 339 HG1 THR 45 HG1 THR 45 10.309 7.310 -6.550 340 1HG2 THR 45 1HG2 THR 45 8.937 7.320 -8.910 341 2HG2 THR 45 2HG2 THR 45 10.334 7.486 -9.999 342 3HG2 THR 45 3HG2 THR 45 9.437 5.950 -9.931 343 H PHE 46 H PHE 46 10.995 2.600 -6.913 344 HA PHE 46 HA PHE 46 13.356 3.388 -5.416 345 1HB PHE 46 1HB PHE 46 11.122 1.327 -5.293 346 2HB PHE 46 2HB PHE 46 12.611 0.946 -4.450 347 HD1 PHE 46 HD1 PHE 46 10.895 0.897 -2.506 348 HD2 PHE 46 HD2 PHE 46 12.079 4.448 -4.506 349 HE1 PHE 46 HE1 PHE 46 10.132 2.259 -0.540 350 HE2 PHE 46 HE2 PHE 46 11.315 5.809 -2.540 351 HZ PHE 46 HZ PHE 46 10.351 4.699 -0.581 352 H ASP 47 H ASP 47 12.585 1.707 -8.285 353 HA ASP 47 HA ASP 47 13.806 0.546 -9.657 354 1HB ASP 47 1HB ASP 47 16.102 0.584 -7.650 355 2HB ASP 47 2HB ASP 47 16.220 0.305 -9.376 356 H VAL 48 H VAL 48 12.195 -1.164 -8.842 357 HA VAL 48 HA VAL 48 13.669 -3.471 -7.925 358 HB VAL 48 HB VAL 48 11.878 -3.922 -6.188 359 1HG1 VAL 48 1HG1 VAL 48 13.271 -3.160 -4.552 360 2HG1 VAL 48 2HG1 VAL 48 14.343 -2.889 -5.947 361 3HG1 VAL 48 3HG1 VAL 48 13.408 -1.535 -5.267 362 1HG2 VAL 48 1HG2 VAL 48 10.144 -2.448 -6.435 363 2HG2 VAL 48 2HG2 VAL 48 11.096 -1.565 -5.217 364 3HG2 VAL 48 3HG2 VAL 48 11.203 -1.108 -6.934 365 H GLY 49 H GLY 49 10.290 -2.212 -8.425 366 1HA GLY 49 1HA GLY 49 9.639 -3.211 -10.798 367 2HA GLY 49 2HA GLY 49 9.598 -4.669 -9.827 368 H TRP 50 H TRP 50 8.747 -1.291 -8.843 369 HA TRP 50 HA TRP 50 6.086 -2.313 -8.150 370 1HB TRP 50 1HB TRP 50 7.275 -1.485 -6.251 371 2HB TRP 50 2HB TRP 50 7.717 -0.008 -7.084 372 HD1 TRP 50 HD1 TRP 50 5.657 1.819 -7.465 373 HE1 TRP 50 HE1 TRP 50 3.429 2.321 -6.143 374 HE3 TRP 50 HE3 TRP 50 5.520 -2.610 -4.970 375 HZ2 TRP 50 HZ2 TRP 50 1.894 0.843 -4.244 376 HZ3 TRP 50 HZ3 TRP 50 3.623 -3.001 -3.401 377 HH2 TRP 50 HH2 TRP 50 1.851 -1.361 -3.020 378 HA PRO 51 HA PRO 51 4.781 0.135 -11.541 379 1HB PRO 51 1HB PRO 51 2.121 -0.481 -11.432 380 2HB PRO 51 2HB PRO 51 3.303 -1.481 -12.251 381 1HG PRO 51 1HG PRO 51 1.970 -1.940 -9.653 382 2HG PRO 51 2HG PRO 51 2.806 -3.091 -10.676 383 1HD PRO 51 1HD PRO 51 3.802 -1.896 -8.266 384 2HD PRO 51 2HD PRO 51 4.680 -2.956 -9.350 385 HA PRO 52 HA PRO 52 3.279 3.775 -9.965 386 1HB PRO 52 1HB PRO 52 1.948 4.916 -12.062 387 2HB PRO 52 2HB PRO 52 3.693 4.951 -11.902 388 1HG PRO 52 1HG PRO 52 2.030 3.302 -13.706 389 2HG PRO 52 2HG PRO 52 3.741 3.666 -13.816 390 1HD PRO 52 1HD PRO 52 2.564 1.210 -12.918 391 2HD PRO 52 2HD PRO 52 4.268 1.616 -12.919 392 H GLU 53 H GLU 53 0.862 1.838 -11.579 393 HA GLU 53 HA GLU 53 -1.254 3.169 -10.267 394 1HB GLU 53 1HB GLU 53 -0.976 0.697 -11.976 395 2HB GLU 53 2HB GLU 53 -2.461 0.928 -11.074 396 1HG GLU 53 1HG GLU 53 -1.280 3.078 -12.888 397 2HG GLU 53 2HG GLU 53 -2.436 1.890 -13.454 398 H GLY 54 H GLY 54 1.117 0.918 -9.251 399 1HA GLY 54 1HA GLY 54 1.340 0.239 -7.040 400 2HA GLY 54 2HA GLY 54 -0.386 0.411 -6.792 401 H THR 55 H THR 55 0.504 -1.875 -5.796 402 HA THR 55 HA THR 55 -0.718 -3.853 -7.459 403 HB THR 55 HB THR 55 1.646 -3.652 -8.405 404 HG1 THR 55 HG1 THR 55 1.699 -5.952 -8.431 405 1HG2 THR 55 1HG2 THR 55 3.019 -3.239 -6.445 406 2HG2 THR 55 2HG2 THR 55 2.286 -4.606 -5.571 407 3HG2 THR 55 3HG2 THR 55 3.369 -4.910 -6.950 408 H PHE 56 H PHE 56 -1.307 -5.727 -6.309 409 HA PHE 56 HA PHE 56 -1.041 -5.347 -3.421 410 1HB PHE 56 1HB PHE 56 -2.965 -6.779 -5.329 411 2HB PHE 56 2HB PHE 56 -2.988 -7.148 -3.616 412 HD1 PHE 56 HD1 PHE 56 -2.917 -4.793 -2.156 413 HD2 PHE 56 HD2 PHE 56 -4.634 -5.355 -5.996 414 HE1 PHE 56 HE1 PHE 56 -4.448 -2.844 -1.757 415 HE2 PHE 56 HE2 PHE 56 -6.165 -3.405 -5.597 416 HZ PHE 56 HZ PHE 56 -6.053 -2.173 -3.482 417 H ASP 57 H ASP 57 1.271 -6.346 -4.613 418 HA ASP 57 HA ASP 57 1.061 -9.218 -4.285 419 1HB ASP 57 1HB ASP 57 2.201 -8.283 -6.317 420 2HB ASP 57 2HB ASP 57 3.366 -7.478 -5.284 421 H LEU 58 H LEU 58 1.804 -10.133 -2.357 422 HA LEU 58 HA LEU 58 2.797 -8.472 -0.305 423 1HB LEU 58 1HB LEU 58 1.553 -10.904 -0.471 424 2HB LEU 58 2HB LEU 58 3.186 -11.374 -0.042 425 HG LEU 58 HG LEU 58 1.576 -11.048 1.874 426 1HD1 LEU 58 1HD1 LEU 58 3.261 -10.462 3.313 427 2HD1 LEU 58 2HD1 LEU 58 4.202 -10.860 1.856 428 3HD1 LEU 58 3HD1 LEU 58 3.865 -9.159 2.261 429 1HD2 LEU 58 1HD2 LEU 58 0.458 -9.155 2.183 430 2HD2 LEU 58 2HD2 LEU 58 1.951 -8.189 2.094 431 3HD2 LEU 58 3HD2 LEU 58 1.068 -8.602 0.604 432 H THR 59 H THR 59 4.270 -10.299 -2.924 433 HA THR 59 HA THR 59 6.852 -10.467 -1.698 434 HB THR 59 HB THR 59 5.734 -10.893 -4.512 435 HG1 THR 59 HG1 THR 59 5.277 -12.376 -2.654 436 1HG2 THR 59 1HG2 THR 59 8.478 -10.463 -3.805 437 2HG2 THR 59 2HG2 THR 59 8.265 -12.223 -3.963 438 3HG2 THR 59 3HG2 THR 59 7.854 -11.151 -5.323 439 H VAL 60 H VAL 60 5.372 -8.368 -4.252 440 HA VAL 60 HA VAL 60 7.707 -6.808 -4.530 441 HB VAL 60 HB VAL 60 4.840 -6.110 -5.188 442 1HG1 VAL 60 1HG1 VAL 60 6.947 -4.438 -5.276 443 2HG1 VAL 60 2HG1 VAL 60 7.129 -5.213 -6.868 444 3HG1 VAL 60 3HG1 VAL 60 5.611 -4.381 -6.451 445 1HG2 VAL 60 1HG2 VAL 60 6.529 -7.120 -7.368 446 2HG2 VAL 60 2HG2 VAL 60 6.200 -8.330 -6.105 447 3HG2 VAL 60 3HG2 VAL 60 4.849 -7.521 -6.935 448 H ILE 61 H ILE 61 4.713 -6.554 -2.546 449 HA ILE 61 HA ILE 61 5.126 -3.985 -1.598 450 HB ILE 61 HB ILE 61 3.685 -6.406 -0.577 451 1HG1 ILE 61 1HG1 ILE 61 2.673 -3.680 -1.427 452 2HG1 ILE 61 2HG1 ILE 61 2.834 -5.044 -2.515 453 1HG2 ILE 61 1HG2 ILE 61 2.749 -5.062 1.251 454 2HG2 ILE 61 2HG2 ILE 61 4.504 -5.296 1.429 455 3HG2 ILE 61 3HG2 ILE 61 3.869 -3.738 0.848 456 1HD1 ILE 61 1HD1 ILE 61 1.420 -6.339 -0.691 457 2HD1 ILE 61 2HD1 ILE 61 0.958 -4.702 -0.167 458 3HD1 ILE 61 3HD1 ILE 61 0.598 -5.241 -1.825 459 H PHE 62 H PHE 62 6.262 -7.173 -0.314 460 HA PHE 62 HA PHE 62 7.497 -6.190 1.953 461 1HB PHE 62 1HB PHE 62 7.510 -8.571 0.161 462 2HB PHE 62 2HB PHE 62 9.061 -8.337 0.943 463 HD1 PHE 62 HD1 PHE 62 9.332 -9.667 2.792 464 HD2 PHE 62 HD2 PHE 62 5.490 -8.038 2.023 465 HE1 PHE 62 HE1 PHE 62 8.451 -10.764 4.871 466 HE2 PHE 62 HE2 PHE 62 4.609 -9.135 4.102 467 HZ PHE 62 HZ PHE 62 6.099 -10.485 5.501 468 H GLU 63 H GLU 63 8.555 -6.233 -1.457 469 HA GLU 63 HA GLU 63 11.252 -5.769 -0.931 470 1HB GLU 63 1HB GLU 63 9.505 -5.192 -3.358 471 2HB GLU 63 2HB GLU 63 11.236 -4.918 -3.355 472 1HG GLU 63 1HG GLU 63 9.997 -7.607 -2.623 473 2HG GLU 63 2HG GLU 63 10.452 -7.194 -4.263 474 H VAL 64 H VAL 64 8.522 -3.529 -1.788 475 HA VAL 64 HA VAL 64 10.084 -1.201 -1.625 476 HB VAL 64 HB VAL 64 7.146 -1.830 -1.571 477 1HG1 VAL 64 1HG1 VAL 64 6.709 0.623 -1.706 478 2HG1 VAL 64 2HG1 VAL 64 7.342 0.099 -0.127 479 3HG1 VAL 64 3HG1 VAL 64 8.415 0.914 -1.290 480 1HG2 VAL 64 1HG2 VAL 64 7.934 -0.006 -3.622 481 2HG2 VAL 64 2HG2 VAL 64 9.110 -1.342 -3.592 482 3HG2 VAL 64 3HG2 VAL 64 7.374 -1.688 -3.783 483 H LYS 65 H LYS 65 8.119 -3.053 0.752 484 HA LYS 65 HA LYS 65 8.305 -1.135 2.796 485 1HB LYS 65 1HB LYS 65 6.579 -2.768 2.895 486 2HB LYS 65 2HB LYS 65 7.711 -4.099 2.759 487 1HG LYS 65 1HG LYS 65 8.760 -3.115 4.976 488 2HG LYS 65 2HG LYS 65 7.237 -2.263 5.129 489 1HD LYS 65 1HD LYS 65 6.704 -5.037 4.442 490 2HD LYS 65 2HD LYS 65 7.798 -4.988 5.809 491 1HE LYS 65 1HE LYS 65 6.256 -3.887 7.195 492 2HE LYS 65 2HE LYS 65 5.422 -3.130 5.852 493 1HZ LYS 65 1HZ LYS 65 4.630 -5.358 7.132 494 2HZ LYS 65 2HZ LYS 65 4.078 -4.860 5.678 495 3HZ LYS 65 3HZ LYS 65 5.280 -5.963 5.761 496 H ALA 66 H ALA 66 10.239 -4.104 2.032 497 HA ALA 66 HA ALA 66 11.965 -3.947 4.179 498 1HB ALA 66 1HB ALA 66 11.704 -5.835 2.544 499 2HB ALA 66 2HB ALA 66 12.601 -4.868 1.349 500 3HB ALA 66 3HB ALA 66 13.400 -5.389 2.851 501 H ILE 67 H ILE 67 11.704 -1.962 1.275 502 HA ILE 67 HA ILE 67 14.364 -0.937 1.453 503 HB ILE 67 HB ILE 67 11.908 -0.229 -0.129 504 1HG1 ILE 67 1HG1 ILE 67 14.616 -1.127 -1.121 505 2HG1 ILE 67 2HG1 ILE 67 13.390 -2.273 -0.619 506 1HG2 ILE 67 1HG2 ILE 67 13.459 1.353 -1.383 507 2HG2 ILE 67 2HG2 ILE 67 12.864 1.898 0.204 508 3HG2 ILE 67 3HG2 ILE 67 14.522 1.273 0.042 509 1HD1 ILE 67 1HD1 ILE 67 12.633 -0.080 -2.560 510 2HD1 ILE 67 2HD1 ILE 67 13.519 -1.508 -3.148 511 3HD1 ILE 67 3HD1 ILE 67 11.931 -1.705 -2.369 512 H VAL 68 H VAL 68 11.050 0.319 2.239 513 HA VAL 68 HA VAL 68 12.023 2.713 3.353 514 HB VAL 68 HB VAL 68 9.818 3.150 3.879 515 1HG1 VAL 68 1HG1 VAL 68 8.868 1.219 1.906 516 2HG1 VAL 68 2HG1 VAL 68 8.957 2.995 1.818 517 3HG1 VAL 68 3HG1 VAL 68 10.380 2.011 1.400 518 1HG2 VAL 68 1HG2 VAL 68 9.200 0.179 3.978 519 2HG2 VAL 68 2HG2 VAL 68 9.534 1.196 5.400 520 3HG2 VAL 68 3HG2 VAL 68 8.105 1.520 4.390 521 H PHE 69 H PHE 69 11.420 -0.575 4.621 522 HA PHE 69 HA PHE 69 11.940 0.325 7.322 523 1HB PHE 69 1HB PHE 69 11.145 -2.230 5.853 524 2HB PHE 69 2HB PHE 69 11.745 -2.365 7.494 525 HD1 PHE 69 HD1 PHE 69 8.995 -1.181 5.395 526 HD2 PHE 69 HD2 PHE 69 10.441 -1.533 9.369 527 HE1 PHE 69 HE1 PHE 69 6.700 -0.672 6.275 528 HE2 PHE 69 HE2 PHE 69 8.146 -1.023 10.249 529 HZ PHE 69 HZ PHE 69 6.303 -0.599 8.691 530 H GLN 70 H GLN 70 14.044 0.469 5.123 531 HA GLN 70 HA GLN 70 15.870 -1.603 5.833 532 1HB GLN 70 1HB GLN 70 17.301 -0.674 4.149 533 2HB GLN 70 2HB GLN 70 15.669 -0.544 3.524 534 1HG GLN 70 1HG GLN 70 15.575 1.839 4.341 535 2HG GLN 70 2HG GLN 70 17.234 1.698 4.888 536 1HE2 GLN 70 1HE2 GLN 70 15.121 2.225 2.264 537 2HE2 GLN 70 2HE2 GLN 70 16.285 2.406 0.993 538 H ASP 71 H ASP 71 18.355 -0.319 5.960 539 HA ASP 71 HA ASP 71 18.066 1.010 8.523 540 1HB ASP 71 1HB ASP 71 19.512 -0.993 8.469 541 2HB ASP 71 2HB ASP 71 20.453 -0.316 7.154 542 H GLY 72 H GLY 72 19.901 2.761 8.910 543 1HA GLY 72 1HA GLY 72 21.141 4.545 8.223 544 2HA GLY 72 2HA GLY 72 20.922 4.072 6.550 545 HA PRO 73 HA PRO 73 18.178 7.633 7.447 546 1HB PRO 73 1HB PRO 73 19.363 9.507 5.849 547 2HB PRO 73 2HB PRO 73 19.685 9.371 7.566 548 1HG PRO 73 1HG PRO 73 21.385 8.552 5.291 549 2HG PRO 73 2HG PRO 73 21.841 8.819 6.962 550 1HD PRO 73 1HD PRO 73 21.470 6.286 5.668 551 2HD PRO 73 2HD PRO 73 21.812 6.556 7.366 552 H GLY 74 H GLY 74 19.047 5.680 4.947 553 1HA GLY 74 1HA GLY 74 17.548 6.881 2.847 554 2HA GLY 74 2HA GLY 74 18.149 5.237 2.925 555 H SER 75 H SER 75 16.807 4.700 5.580 556 HA SER 75 HA SER 75 14.530 3.546 4.631 557 1HB SER 75 1HB SER 75 13.856 3.454 7.102 558 2HB SER 75 2HB SER 75 15.421 2.774 6.704 559 HG SER 75 HG SER 75 15.718 4.085 8.521 560 H HIS 76 H HIS 76 12.195 4.039 5.297 561 HA HIS 76 HA HIS 76 11.770 6.927 5.480 562 1HB HIS 76 1HB HIS 76 9.916 5.245 3.837 563 2HB HIS 76 2HB HIS 76 10.246 6.964 3.743 564 HD1 HIS 76 HD1 HIS 76 12.840 7.525 2.842 565 HD2 HIS 76 HD2 HIS 76 11.182 3.788 1.903 566 HE1 HIS 76 HE1 HIS 76 14.191 6.616 0.878 567 HA PRO 77 HA PRO 77 9.456 5.079 8.786 568 1HB PRO 77 1HB PRO 77 9.631 7.198 10.503 569 2HB PRO 77 2HB PRO 77 10.808 5.901 10.458 570 1HG PRO 77 1HG PRO 77 11.050 8.660 9.425 571 2HG PRO 77 2HG PRO 77 12.320 7.504 9.774 572 1HD PRO 77 1HD PRO 77 11.308 8.212 7.185 573 2HD PRO 77 2HD PRO 77 12.494 6.974 7.543 574 H ASP 78 H ASP 78 8.878 7.543 6.668 575 HA ASP 78 HA ASP 78 6.397 8.286 7.899 576 1HB ASP 78 1HB ASP 78 6.201 9.555 5.595 577 2HB ASP 78 2HB ASP 78 7.340 10.124 6.799 578 H GLN 79 H GLN 79 7.724 6.340 5.187 579 HA GLN 79 HA GLN 79 5.082 5.776 4.206 580 1HB GLN 79 1HB GLN 79 7.874 4.969 3.306 581 2HB GLN 79 2HB GLN 79 6.432 4.309 2.561 582 1HG GLN 79 1HG GLN 79 6.133 6.188 1.325 583 2HG GLN 79 2HG GLN 79 6.148 7.193 2.761 584 1HE2 GLN 79 1HE2 GLN 79 8.192 5.508 0.425 585 2HE2 GLN 79 2HE2 GLN 79 9.567 6.557 0.518 586 H GLN 80 H GLN 80 7.303 4.549 6.545 587 HA GLN 80 HA GLN 80 7.075 1.871 6.370 588 1HB GLN 80 1HB GLN 80 7.539 3.837 8.532 589 2HB GLN 80 2HB GLN 80 6.887 2.318 9.112 590 1HG GLN 80 1HG GLN 80 8.706 1.048 8.176 591 2HG GLN 80 2HG GLN 80 9.230 2.386 7.172 592 1HE2 GLN 80 1HE2 GLN 80 11.280 2.490 7.937 593 2HE2 GLN 80 2HE2 GLN 80 11.711 3.005 9.534 594 HA PRO 81 HA PRO 81 2.884 2.178 8.587 595 1HB PRO 81 1HB PRO 81 1.623 4.597 8.757 596 2HB PRO 81 2HB PRO 81 2.597 3.931 10.052 597 1HG PRO 81 1HG PRO 81 3.260 6.110 8.168 598 2HG PRO 81 2HG PRO 81 4.011 5.720 9.703 599 1HD PRO 81 1HD PRO 81 5.052 5.156 7.090 600 2HD PRO 81 2HD PRO 81 5.745 4.664 8.623 601 H TYR 82 H TYR 82 3.565 3.968 5.758 602 HA TYR 82 HA TYR 82 0.914 3.676 4.696 603 1HB TYR 82 1HB TYR 82 3.711 4.474 3.700 604 2HB TYR 82 2HB TYR 82 2.345 4.435 2.603 605 HD1 TYR 82 HD1 TYR 82 1.441 6.510 2.137 606 HD2 TYR 82 HD2 TYR 82 3.001 5.786 6.054 607 HE1 TYR 82 HE1 TYR 82 0.825 8.878 2.827 608 HE2 TYR 82 HE2 TYR 82 2.381 8.156 6.731 609 HH TYR 82 HH TYR 82 1.863 10.525 4.727 610 H ILE 83 H ILE 83 4.172 2.200 4.074 611 HA ILE 83 HA ILE 83 3.199 0.443 2.098 612 HB ILE 83 HB ILE 83 5.546 1.232 2.390 613 1HG1 ILE 83 1HG1 ILE 83 6.556 -1.026 1.834 614 2HG1 ILE 83 2HG1 ILE 83 4.989 -1.736 2.165 615 1HG2 ILE 83 1HG2 ILE 83 5.931 1.056 4.714 616 2HG2 ILE 83 2HG2 ILE 83 5.448 -0.657 4.747 617 3HG2 ILE 83 3HG2 ILE 83 6.966 -0.176 3.952 618 1HD1 ILE 83 1HD1 ILE 83 5.189 0.616 0.266 619 2HD1 ILE 83 2HD1 ILE 83 5.580 -1.026 -0.299 620 3HD1 ILE 83 3HD1 ILE 83 3.956 -0.666 0.335 621 H THR 84 H THR 84 3.644 0.225 5.658 622 HA THR 84 HA THR 84 3.246 -2.485 5.980 623 HB THR 84 HB THR 84 2.587 -0.021 7.656 624 HG1 THR 84 HG1 THR 84 4.507 -2.244 7.690 625 1HG2 THR 84 1HG2 THR 84 1.121 -1.857 8.479 626 2HG2 THR 84 2HG2 THR 84 2.503 -2.978 8.458 627 3HG2 THR 84 3HG2 THR 84 2.482 -1.612 9.599 628 H VAL 85 H VAL 85 0.739 0.129 5.874 629 HA VAL 85 HA VAL 85 -1.434 -1.539 6.235 630 HB VAL 85 HB VAL 85 -1.058 1.079 4.787 631 1HG1 VAL 85 1HG1 VAL 85 -3.499 -0.633 5.039 632 2HG1 VAL 85 2HG1 VAL 85 -3.684 1.128 5.226 633 3HG1 VAL 85 3HG1 VAL 85 -2.994 0.459 3.727 634 1HG2 VAL 85 1HG2 VAL 85 -1.386 2.068 6.777 635 2HG2 VAL 85 2HG2 VAL 85 -2.722 0.972 7.206 636 3HG2 VAL 85 3HG2 VAL 85 -1.036 0.470 7.477 637 H TRP 86 H TRP 86 0.335 -0.596 3.231 638 HA TRP 86 HA TRP 86 -1.362 -1.757 1.397 639 1HB TRP 86 1HB TRP 86 1.504 -1.004 1.487 640 2HB TRP 86 2HB TRP 86 1.040 -2.142 0.238 641 HD1 TRP 86 HD1 TRP 86 0.419 1.514 1.300 642 HE1 TRP 86 HE1 TRP 86 -0.615 2.920 -0.679 643 HE3 TRP 86 HE3 TRP 86 -0.325 -2.436 -1.816 644 HZ2 TRP 86 HZ2 TRP 86 -1.606 2.238 -3.268 645 HZ3 TRP 86 HZ3 TRP 86 -1.330 -1.979 -4.051 646 HH2 TRP 86 HH2 TRP 86 -1.964 0.262 -4.793 647 H GLN 87 H GLN 87 1.210 -3.155 3.493 648 HA GLN 87 HA GLN 87 1.121 -5.682 2.286 649 1HB GLN 87 1HB GLN 87 3.087 -5.075 3.526 650 2HB GLN 87 2HB GLN 87 2.159 -4.666 4.955 651 1HG GLN 87 1HG GLN 87 1.623 -7.428 4.143 652 2HG GLN 87 2HG GLN 87 3.345 -7.172 4.343 653 1HE2 GLN 87 1HE2 GLN 87 2.828 -8.772 6.083 654 2HE2 GLN 87 2HE2 GLN 87 2.438 -8.167 7.659 655 H ASP 88 H ASP 88 -0.587 -4.145 5.047 656 HA ASP 88 HA ASP 88 -1.707 -6.472 6.046 657 1HB ASP 88 1HB ASP 88 -1.654 -3.890 6.849 658 2HB ASP 88 2HB ASP 88 -3.248 -3.883 6.121 659 H LEU 89 H LEU 89 -2.658 -4.131 3.483 660 HA LEU 89 HA LEU 89 -5.279 -4.912 3.101 661 1HB LEU 89 1HB LEU 89 -3.166 -3.678 1.378 662 2HB LEU 89 2HB LEU 89 -4.685 -4.169 0.656 663 HG LEU 89 HG LEU 89 -4.775 -2.459 3.111 664 1HD1 LEU 89 1HD1 LEU 89 -3.576 -0.812 2.229 665 2HD1 LEU 89 2HD1 LEU 89 -3.380 -1.698 0.698 666 3HD1 LEU 89 3HD1 LEU 89 -4.809 -0.667 0.953 667 1HD2 LEU 89 1HD2 LEU 89 -6.674 -3.500 1.397 668 2HD2 LEU 89 2HD2 LEU 89 -6.912 -2.163 2.547 669 3HD2 LEU 89 3HD2 LEU 89 -6.508 -1.815 0.849 670 H VAL 90 H VAL 90 -2.276 -6.133 1.460 671 HA VAL 90 HA VAL 90 -3.598 -8.082 -0.033 672 HB VAL 90 HB VAL 90 -0.756 -8.015 1.000 673 1HG1 VAL 90 1HG1 VAL 90 -1.822 -10.187 -0.051 674 2HG1 VAL 90 2HG1 VAL 90 -1.578 -9.310 -1.580 675 3HG1 VAL 90 3HG1 VAL 90 -0.190 -9.655 -0.521 676 1HG2 VAL 90 1HG2 VAL 90 -0.975 -6.007 -0.160 677 2HG2 VAL 90 2HG2 VAL 90 -0.388 -7.122 -1.417 678 3HG2 VAL 90 3HG2 VAL 90 -2.115 -6.694 -1.342 679 H GLN 91 H GLN 91 -1.727 -8.392 3.072 680 HA GLN 91 HA GLN 91 -1.990 -10.953 3.588 681 1HB GLN 91 1HB GLN 91 -2.193 -8.528 5.360 682 2HB GLN 91 2HB GLN 91 -2.514 -10.092 6.082 683 1HG GLN 91 1HG GLN 91 -0.248 -10.744 4.753 684 2HG GLN 91 2HG GLN 91 0.049 -9.025 4.918 685 1HE2 GLN 91 1HE2 GLN 91 0.953 -11.723 6.200 686 2HE2 GLN 91 2HE2 GLN 91 1.043 -11.371 7.893 687 H ASN 92 H ASN 92 -4.587 -8.522 4.353 688 HA ASN 92 HA ASN 92 -6.415 -10.785 4.502 689 1HB ASN 92 1HB ASN 92 -6.283 -8.106 5.893 690 2HB ASN 92 2HB ASN 92 -7.876 -8.768 5.582 691 1HD2 ASN 92 1HD2 ASN 92 -4.906 -9.067 7.329 692 2HD2 ASN 92 2HD2 ASN 92 -5.371 -10.325 8.425 693 H SER 93 H SER 93 -6.004 -10.301 1.939 694 HA SER 93 HA SER 93 -6.768 -8.209 0.577 695 1HB SER 93 1HB SER 93 -7.585 -9.719 -1.203 696 2HB SER 93 2HB SER 93 -6.134 -10.356 -0.454 697 HG SER 93 HG SER 93 -8.632 -11.167 0.652 698 HA PRO 94 HA PRO 94 -10.882 -7.457 1.955 699 1HB PRO 94 1HB PRO 94 -11.204 -5.017 0.768 700 2HB PRO 94 2HB PRO 94 -10.457 -5.227 2.340 701 1HG PRO 94 1HG PRO 94 -9.175 -4.634 -0.257 702 2HG PRO 94 2HG PRO 94 -8.527 -4.432 1.358 703 1HD PRO 94 1HD PRO 94 -7.891 -6.526 -0.495 704 2HD PRO 94 2HD PRO 94 -7.334 -6.387 1.161 705 HA PRO 95 HA PRO 95 -13.437 -8.539 -1.255 706 1HB PRO 95 1HB PRO 95 -15.842 -7.402 -0.631 707 2HB PRO 95 2HB PRO 95 -15.258 -8.878 0.112 708 1HG PRO 95 1HG PRO 95 -15.386 -6.154 1.252 709 2HG PRO 95 2HG PRO 95 -15.216 -7.686 2.086 710 1HD PRO 95 1HD PRO 95 -13.144 -5.767 1.581 711 2HD PRO 95 2HD PRO 95 -12.953 -7.349 2.311 712 H TRP 96 H TRP 96 -13.027 -5.189 -0.644 713 HA TRP 96 HA TRP 96 -14.240 -4.419 -3.132 714 1HB TRP 96 1HB TRP 96 -13.376 -2.177 -2.529 715 2HB TRP 96 2HB TRP 96 -14.433 -2.895 -1.330 716 HD1 TRP 96 HD1 TRP 96 -13.333 -3.464 1.076 717 HE1 TRP 96 HE1 TRP 96 -11.089 -2.827 2.310 718 HE3 TRP 96 HE3 TRP 96 -10.922 -1.765 -3.066 719 HZ2 TRP 96 HZ2 TRP 96 -8.613 -1.709 1.435 720 HZ3 TRP 96 HZ3 TRP 96 -8.594 -0.918 -2.790 721 HH2 TRP 96 HH2 TRP 96 -7.441 -0.872 -0.635 722 H ILE 97 H ILE 97 -11.397 -6.003 -2.219 723 HA ILE 97 HA ILE 97 -9.876 -4.794 -4.416 724 HB ILE 97 HB ILE 97 -9.151 -6.031 -1.815 725 1HG1 ILE 97 1HG1 ILE 97 -8.156 -3.706 -3.478 726 2HG1 ILE 97 2HG1 ILE 97 -9.067 -3.644 -1.982 727 1HG2 ILE 97 1HG2 ILE 97 -7.252 -6.118 -4.171 728 2HG2 ILE 97 2HG2 ILE 97 -6.956 -6.682 -2.509 729 3HG2 ILE 97 3HG2 ILE 97 -8.135 -7.528 -3.540 730 1HD1 ILE 97 1HD1 ILE 97 -7.192 -4.629 -0.733 731 2HD1 ILE 97 2HD1 ILE 97 -6.275 -4.854 -2.242 732 3HD1 ILE 97 3HD1 ILE 97 -6.619 -3.213 -1.646 733 H LYS 98 H LYS 98 -10.415 -8.034 -2.849 734 HA LYS 98 HA LYS 98 -10.884 -9.126 -5.499 735 1HB LYS 98 1HB LYS 98 -8.475 -9.686 -3.838 736 2HB LYS 98 2HB LYS 98 -9.246 -11.063 -4.598 737 1HG LYS 98 1HG LYS 98 -8.609 -10.422 -6.704 738 2HG LYS 98 2HG LYS 98 -8.993 -8.737 -6.414 739 1HD LYS 98 1HD LYS 98 -6.858 -8.646 -4.953 740 2HD LYS 98 2HD LYS 98 -6.453 -10.218 -5.613 741 1HE LYS 98 1HE LYS 98 -5.774 -9.320 -7.595 742 2HE LYS 98 2HE LYS 98 -7.234 -8.362 -7.748 743 1HZ LYS 98 1HZ LYS 98 -5.677 -6.763 -7.463 744 2HZ LYS 98 2HZ LYS 98 -6.086 -6.981 -5.897 745 3HZ LYS 98 3HZ LYS 98 -4.721 -7.656 -6.486 746 H SER 99 H SER 99 -12.806 -10.133 -5.325 747 HA SER 99 HA SER 99 -13.594 -11.041 -2.710 748 1HB SER 99 1HB SER 99 -15.825 -11.354 -3.754 749 2HB SER 99 2HB SER 99 -15.208 -9.735 -4.021 750 HG SER 99 HG SER 99 -14.415 -11.459 -6.046 751 H GLY 100 H GLY 100 -12.384 -12.956 -2.344 752 1HA GLY 100 1HA GLY 100 -13.288 -15.271 -3.863 753 2HA GLY 100 2HA GLY 100 -11.574 -14.915 -3.945 754 HA PRO 101 HA PRO 101 -12.668 -17.129 0.005 755 1HB PRO 101 1HB PRO 101 -12.241 -19.748 -0.649 756 2HB PRO 101 2HB PRO 101 -13.833 -19.017 -0.611 757 1HG PRO 101 1HG PRO 101 -12.178 -19.735 -2.953 758 2HG PRO 101 2HG PRO 101 -13.899 -19.410 -2.883 759 1HD PRO 101 1HD PRO 101 -11.857 -17.644 -3.854 760 2HD PRO 101 2HD PRO 101 -13.562 -17.278 -3.676 761 H SER 102 H SER 102 -10.635 -15.654 -0.066 762 HA SER 102 HA SER 102 -8.458 -15.447 0.155 763 1HB SER 102 1HB SER 102 -9.321 -17.575 2.095 764 2HB SER 102 2HB SER 102 -7.602 -17.263 1.962 765 HG SER 102 HG SER 102 -8.492 -14.850 2.132 766 H SER 103 H SER 103 -7.697 -15.984 -1.983 767 HA SER 103 HA SER 103 -7.377 -18.522 -2.934 768 1HB SER 103 1HB SER 103 -5.605 -16.105 -3.507 769 2HB SER 103 2HB SER 103 -5.760 -17.520 -4.528 770 HG SER 103 HG SER 103 -8.265 -16.606 -4.062 771 H GLY 104 H GLY 104 -4.849 -16.381 -1.412 772 1HA GLY 104 1HA GLY 104 -3.490 -17.332 0.348 773 2HA GLY 104 2HA GLY 104 -3.453 -18.840 -0.544 Start of MODEL 10 1 1H GLY 0 1H GLY 0 -10.668 -13.412 -9.109 2 1HA GLY 0 1HA GLY 0 -13.037 -12.239 -8.202 3 2HA GLY 0 2HA GLY 0 -11.716 -11.533 -7.292 4 H SER 1 H SER 1 -12.974 -12.140 -10.606 5 HA SER 1 HA SER 1 -12.732 -11.078 -12.482 6 1HB SER 1 1HB SER 1 -13.406 -9.113 -10.998 7 2HB SER 1 2HB SER 1 -11.709 -8.690 -10.888 8 HG SER 1 HG SER 1 -13.284 -8.847 -13.316 9 H SER 2 H SER 2 -11.127 -11.991 -13.729 10 HA SER 2 HA SER 2 -8.394 -11.265 -13.022 11 1HB SER 2 1HB SER 2 -9.660 -13.782 -13.813 12 2HB SER 2 2HB SER 2 -8.332 -13.394 -14.888 13 HG SER 2 HG SER 2 -6.887 -13.360 -13.158 14 H GLY 3 H GLY 3 -6.936 -10.609 -14.744 15 1HA GLY 3 1HA GLY 3 -6.971 -10.530 -17.321 16 2HA GLY 3 2HA GLY 3 -8.368 -9.503 -17.065 17 H SER 4 H SER 4 -7.997 -7.332 -16.942 18 HA SER 4 HA SER 4 -5.736 -6.373 -15.526 19 1HB SER 4 1HB SER 4 -4.728 -5.124 -17.424 20 2HB SER 4 2HB SER 4 -4.623 -6.857 -17.657 21 HG SER 4 HG SER 4 -6.962 -6.111 -18.749 22 H SER 5 H SER 5 -7.716 -5.555 -14.393 23 HA SER 5 HA SER 5 -8.436 -3.011 -15.518 24 1HB SER 5 1HB SER 5 -10.783 -3.319 -15.504 25 2HB SER 5 2HB SER 5 -10.172 -4.782 -16.250 26 HG SER 5 HG SER 5 -10.291 -5.790 -14.073 27 H GLY 6 H GLY 6 -9.497 -1.587 -13.836 28 1HA GLY 6 1HA GLY 6 -9.596 -0.724 -11.765 29 2HA GLY 6 2HA GLY 6 -9.854 -2.354 -11.175 30 H THR 7 H THR 7 -7.918 0.269 -10.745 31 HA THR 7 HA THR 7 -5.448 -1.275 -10.409 32 HB THR 7 HB THR 7 -4.667 1.238 -9.965 33 HG1 THR 7 HG1 THR 7 -6.232 2.620 -11.187 34 1HG2 THR 7 1HG2 THR 7 -3.862 0.313 -12.009 35 2HG2 THR 7 2HG2 THR 7 -5.506 0.012 -12.621 36 3HG2 THR 7 3HG2 THR 7 -4.869 1.673 -12.560 37 HA PRO 8 HA PRO 8 -5.731 -1.267 -6.129 38 1HB PRO 8 1HB PRO 8 -3.139 -0.980 -5.311 39 2HB PRO 8 2HB PRO 8 -3.798 -2.495 -5.896 40 1HG PRO 8 1HG PRO 8 -1.984 -0.609 -7.271 41 2HG PRO 8 2HG PRO 8 -2.309 -2.290 -7.646 42 1HD PRO 8 1HD PRO 8 -3.329 0.006 -9.031 43 2HD PRO 8 2HD PRO 8 -3.744 -1.670 -9.332 44 H LEU 9 H LEU 9 -3.631 1.366 -7.175 45 HA LEU 9 HA LEU 9 -3.872 2.909 -4.914 46 1HB LEU 9 1HB LEU 9 -2.971 3.196 -7.633 47 2HB LEU 9 2HB LEU 9 -3.819 4.646 -7.133 48 HG LEU 9 HG LEU 9 -1.455 3.384 -5.717 49 1HD1 LEU 9 1HD1 LEU 9 -0.932 6.046 -6.534 50 2HD1 LEU 9 2HD1 LEU 9 -0.180 4.540 -7.113 51 3HD1 LEU 9 3HD1 LEU 9 -1.620 5.189 -7.935 52 1HD2 LEU 9 1HD2 LEU 9 -1.698 4.783 -3.971 53 2HD2 LEU 9 2HD2 LEU 9 -2.324 6.111 -4.977 54 3HD2 LEU 9 3HD2 LEU 9 -3.406 4.791 -4.470 55 H SER 10 H SER 10 -6.013 2.764 -7.827 56 HA SER 10 HA SER 10 -7.717 4.767 -6.932 57 1HB SER 10 1HB SER 10 -7.728 4.133 -9.261 58 2HB SER 10 2HB SER 10 -8.078 2.459 -8.880 59 HG SER 10 HG SER 10 -9.818 4.735 -8.806 60 H LEU 11 H LEU 11 -7.647 1.197 -6.488 61 HA LEU 11 HA LEU 11 -10.188 1.008 -5.295 62 1HB LEU 11 1HB LEU 11 -7.744 -0.757 -5.257 63 2HB LEU 11 2HB LEU 11 -9.239 -1.186 -4.449 64 HG LEU 11 HG LEU 11 -9.328 -0.463 -7.358 65 1HD1 LEU 11 1HD1 LEU 11 -8.563 -2.502 -8.136 66 2HD1 LEU 11 2HD1 LEU 11 -7.416 -2.145 -6.822 67 3HD1 LEU 11 3HD1 LEU 11 -8.745 -3.299 -6.555 68 1HD2 LEU 11 1HD2 LEU 11 -11.317 -1.592 -7.395 69 2HD2 LEU 11 2HD2 LEU 11 -10.843 -2.707 -6.091 70 3HD2 LEU 11 3HD2 LEU 11 -11.308 -1.033 -5.705 71 H THR 12 H THR 12 -6.838 1.205 -3.912 72 HA THR 12 HA THR 12 -7.660 1.202 -1.239 73 HB THR 12 HB THR 12 -5.314 2.239 -0.961 74 HG1 THR 12 HG1 THR 12 -4.240 2.601 -2.982 75 1HG2 THR 12 1HG2 THR 12 -5.228 -0.013 -3.005 76 2HG2 THR 12 2HG2 THR 12 -4.152 0.264 -1.615 77 3HG2 THR 12 3HG2 THR 12 -5.811 -0.324 -1.353 78 H LEU 13 H LEU 13 -6.887 3.983 -3.432 79 HA LEU 13 HA LEU 13 -7.445 5.947 -1.554 80 1HB LEU 13 1HB LEU 13 -7.719 6.038 -4.562 81 2HB LEU 13 2HB LEU 13 -7.665 7.430 -3.498 82 HG LEU 13 HG LEU 13 -5.389 5.480 -3.429 83 1HD1 LEU 13 1HD1 LEU 13 -5.980 6.032 -5.854 84 2HD1 LEU 13 2HD1 LEU 13 -5.471 7.696 -5.476 85 3HD1 LEU 13 3HD1 LEU 13 -4.312 6.354 -5.322 86 1HD2 LEU 13 1HD2 LEU 13 -5.877 8.340 -2.727 87 2HD2 LEU 13 2HD2 LEU 13 -4.996 7.071 -1.843 88 3HD2 LEU 13 3HD2 LEU 13 -4.242 7.866 -3.246 89 H ASP 14 H ASP 14 -9.571 4.159 -3.842 90 HA ASP 14 HA ASP 14 -11.813 5.697 -3.485 91 1HB ASP 14 1HB ASP 14 -11.304 2.799 -4.182 92 2HB ASP 14 2HB ASP 14 -12.957 3.309 -3.898 93 H HIS 15 H HIS 15 -10.229 3.255 -1.453 94 HA HIS 15 HA HIS 15 -12.461 3.458 0.437 95 1HB HIS 15 1HB HIS 15 -10.756 1.138 -0.388 96 2HB HIS 15 2HB HIS 15 -11.326 1.208 1.268 97 HD1 HIS 15 HD1 HIS 15 -14.180 2.047 1.116 98 HD2 HIS 15 HD2 HIS 15 -12.463 -0.463 -1.773 99 HE1 HIS 15 HE1 HIS 15 -16.113 0.792 0.019 100 H TRP 16 H TRP 16 -10.436 5.450 0.235 101 HA TRP 16 HA TRP 16 -8.180 5.128 1.719 102 1HB TRP 16 1HB TRP 16 -8.749 7.146 0.479 103 2HB TRP 16 2HB TRP 16 -10.027 7.520 1.618 104 HD1 TRP 16 HD1 TRP 16 -9.217 9.460 3.156 105 HE1 TRP 16 HE1 TRP 16 -7.021 10.220 4.405 106 HE3 TRP 16 HE3 TRP 16 -6.301 5.664 1.443 107 HZ2 TRP 16 HZ2 TRP 16 -4.370 9.172 4.535 108 HZ3 TRP 16 HZ3 TRP 16 -3.920 5.605 2.179 109 HH2 TRP 16 HH2 TRP 16 -2.945 7.278 3.671 110 H SER 17 H SER 17 -11.593 5.470 2.773 111 HA SER 17 HA SER 17 -11.187 5.983 5.415 112 1HB SER 17 1HB SER 17 -13.400 5.986 4.309 113 2HB SER 17 2HB SER 17 -13.333 4.245 4.117 114 HG SER 17 HG SER 17 -14.528 4.524 5.966 115 H GLU 18 H GLU 18 -11.112 2.856 3.626 116 HA GLU 18 HA GLU 18 -10.888 1.293 5.946 117 1HB GLU 18 1HB GLU 18 -11.697 0.203 3.989 118 2HB GLU 18 2HB GLU 18 -10.386 0.805 2.995 119 1HG GLU 18 1HG GLU 18 -9.949 -1.541 3.466 120 2HG GLU 18 2HG GLU 18 -8.768 -0.589 4.343 121 H ILE 19 H ILE 19 -8.535 2.744 3.632 122 HA ILE 19 HA ILE 19 -6.272 1.483 4.721 123 HB ILE 19 HB ILE 19 -6.301 4.145 3.321 124 1HG1 ILE 19 1HG1 ILE 19 -7.734 2.944 1.922 125 2HG1 ILE 19 2HG1 ILE 19 -6.155 2.727 1.195 126 1HG2 ILE 19 1HG2 ILE 19 -4.161 3.436 2.455 127 2HG2 ILE 19 2HG2 ILE 19 -4.158 3.300 4.230 128 3HG2 ILE 19 3HG2 ILE 19 -4.335 1.841 3.226 129 1HD1 ILE 19 1HD1 ILE 19 -7.761 0.740 2.832 130 2HD1 ILE 19 2HD1 ILE 19 -7.071 0.541 1.203 131 3HD1 ILE 19 3HD1 ILE 19 -6.004 0.547 2.628 132 H ARG 20 H ARG 20 -8.065 4.487 5.498 133 HA ARG 20 HA ARG 20 -6.094 5.439 7.244 134 1HB ARG 20 1HB ARG 20 -9.066 6.046 6.910 135 2HB ARG 20 2HB ARG 20 -8.088 6.875 8.104 136 1HG ARG 20 1HG ARG 20 -6.481 7.170 5.902 137 2HG ARG 20 2HG ARG 20 -8.048 7.109 5.120 138 1HD ARG 20 1HD ARG 20 -7.910 8.853 7.547 139 2HD ARG 20 2HD ARG 20 -6.953 9.397 6.184 140 HE ARG 20 HE ARG 20 -9.428 8.720 5.072 141 1HH1 ARG 20 1HH1 ARG 20 -8.317 10.925 7.579 142 2HH1 ARG 20 2HH1 ARG 20 -9.600 12.061 7.327 143 1HH2 ARG 20 1HH2 ARG 20 -11.121 10.219 4.739 144 2HH2 ARG 20 2HH2 ARG 20 -11.206 11.657 5.701 145 H SER 21 H SER 21 -8.787 3.150 7.495 146 HA SER 21 HA SER 21 -8.989 3.274 10.302 147 1HB SER 21 1HB SER 21 -10.407 2.069 8.173 148 2HB SER 21 2HB SER 21 -9.828 0.722 9.133 149 HG SER 21 HG SER 21 -10.709 2.457 10.935 150 H ARG 22 H ARG 22 -7.273 1.172 7.921 151 HA ARG 22 HA ARG 22 -6.384 -0.693 9.743 152 1HB ARG 22 1HB ARG 22 -4.889 0.234 7.243 153 2HB ARG 22 2HB ARG 22 -4.775 -1.340 8.003 154 1HG ARG 22 1HG ARG 22 -7.565 -0.800 7.450 155 2HG ARG 22 2HG ARG 22 -6.644 -0.470 5.997 156 1HD ARG 22 1HD ARG 22 -5.476 -2.769 6.432 157 2HD ARG 22 2HD ARG 22 -6.772 -3.072 7.572 158 HE ARG 22 HE ARG 22 -7.742 -2.174 4.960 159 1HH1 ARG 22 1HH1 ARG 22 -6.739 -4.969 6.848 160 2HH1 ARG 22 2HH1 ARG 22 -7.627 -6.100 5.882 161 1HH2 ARG 22 1HH2 ARG 22 -8.914 -3.665 3.686 162 2HH2 ARG 22 2HH2 ARG 22 -8.873 -5.354 4.072 163 H ALA 23 H ALA 23 -5.293 2.586 8.955 164 HA ALA 23 HA ALA 23 -2.694 2.304 10.086 165 1HB ALA 23 1HB ALA 23 -2.415 4.306 9.094 166 2HB ALA 23 2HB ALA 23 -4.084 4.155 8.493 167 3HB ALA 23 3HB ALA 23 -3.760 5.019 10.015 168 H HIS 24 H HIS 24 -5.937 3.373 11.210 169 HA HIS 24 HA HIS 24 -5.050 4.393 13.660 170 1HB HIS 24 1HB HIS 24 -7.398 4.386 12.277 171 2HB HIS 24 2HB HIS 24 -7.765 3.216 13.529 172 HD1 HIS 24 HD1 HIS 24 -9.508 5.037 14.432 173 HD2 HIS 24 HD2 HIS 24 -5.458 6.090 14.731 174 HE1 HIS 24 HE1 HIS 24 -9.399 7.006 16.052 175 H ASN 25 H ASN 25 -6.119 1.128 12.580 176 HA ASN 25 HA ASN 25 -6.105 0.041 15.152 177 1HB ASN 25 1HB ASN 25 -6.842 -0.810 12.589 178 2HB ASN 25 2HB ASN 25 -5.447 -1.817 12.921 179 1HD2 ASN 25 1HD2 ASN 25 -8.578 -1.975 12.923 180 2HD2 ASN 25 2HD2 ASN 25 -8.939 -2.938 14.317 181 H LEU 26 H LEU 26 -3.670 0.624 12.615 182 HA LEU 26 HA LEU 26 -1.713 -1.068 13.913 183 1HB LEU 26 1HB LEU 26 -1.662 0.648 11.431 184 2HB LEU 26 2HB LEU 26 -0.260 -0.208 12.041 185 HG LEU 26 HG LEU 26 -2.857 -1.557 11.257 186 1HD1 LEU 26 1HD1 LEU 26 -1.929 -2.105 9.159 187 2HD1 LEU 26 2HD1 LEU 26 -1.636 -0.363 9.376 188 3HD1 LEU 26 3HD1 LEU 26 -0.313 -1.527 9.629 189 1HD2 LEU 26 1HD2 LEU 26 -1.753 -2.970 12.769 190 2HD2 LEU 26 2HD2 LEU 26 -1.296 -3.579 11.160 191 3HD2 LEU 26 3HD2 LEU 26 -0.149 -2.590 12.095 192 H SER 27 H SER 27 -3.052 1.905 14.559 193 HA SER 27 HA SER 27 -2.462 3.596 15.783 194 1HB SER 27 1HB SER 27 0.037 2.007 16.516 195 2HB SER 27 2HB SER 27 -0.602 3.378 17.401 196 HG SER 27 HG SER 27 -1.507 0.698 17.313 197 H VAL 28 H VAL 28 -1.974 3.998 13.145 198 HA VAL 28 HA VAL 28 0.416 5.648 13.221 199 HB VAL 28 HB VAL 28 1.071 4.804 10.963 200 1HG1 VAL 28 1HG1 VAL 28 2.052 2.613 11.883 201 2HG1 VAL 28 2HG1 VAL 28 2.451 4.119 12.743 202 3HG1 VAL 28 3HG1 VAL 28 1.213 3.021 13.399 203 1HG2 VAL 28 1HG2 VAL 28 -1.206 3.701 10.566 204 2HG2 VAL 28 2HG2 VAL 28 0.237 2.781 10.075 205 3HG2 VAL 28 3HG2 VAL 28 -0.610 2.368 11.585 206 H GLU 29 H GLU 29 0.306 7.444 11.760 207 HA GLU 29 HA GLU 29 -2.395 7.801 10.717 208 1HB GLU 29 1HB GLU 29 -0.894 9.402 12.505 209 2HB GLU 29 2HB GLU 29 -0.858 10.274 10.986 210 1HG GLU 29 1HG GLU 29 -3.112 10.729 11.033 211 2HG GLU 29 2HG GLU 29 -3.526 9.148 11.667 212 H ILE 30 H ILE 30 -2.677 8.466 8.562 213 HA ILE 30 HA ILE 30 -0.285 9.126 7.047 214 HB ILE 30 HB ILE 30 -0.859 7.491 5.299 215 1HG1 ILE 30 1HG1 ILE 30 -2.914 6.588 7.322 216 2HG1 ILE 30 2HG1 ILE 30 -3.171 7.071 5.658 217 1HG2 ILE 30 1HG2 ILE 30 -0.444 5.819 7.724 218 2HG2 ILE 30 2HG2 ILE 30 0.470 5.888 6.198 219 3HG2 ILE 30 3HG2 ILE 30 0.708 7.145 7.435 220 1HD1 ILE 30 1HD1 ILE 30 -3.197 4.553 6.077 221 2HD1 ILE 30 2HD1 ILE 30 -2.073 5.092 4.807 222 3HD1 ILE 30 3HD1 ILE 30 -1.454 4.671 6.422 223 H LYS 31 H LYS 31 -1.040 9.697 4.668 224 HA LYS 31 HA LYS 31 -3.662 11.000 4.849 225 1HB LYS 31 1HB LYS 31 -0.992 12.221 4.388 226 2HB LYS 31 2HB LYS 31 -2.280 12.770 3.336 227 1HG LYS 31 1HG LYS 31 -3.066 14.083 5.005 228 2HG LYS 31 2HG LYS 31 -3.413 12.652 5.954 229 1HD LYS 31 1HD LYS 31 -1.451 12.821 7.202 230 2HD LYS 31 2HD LYS 31 -0.550 13.563 5.895 231 1HE LYS 31 1HE LYS 31 -0.823 15.412 7.287 232 2HE LYS 31 2HE LYS 31 -2.242 15.592 6.274 233 1HZ LYS 31 1HZ LYS 31 -2.593 13.901 8.565 234 2HZ LYS 31 2HZ LYS 31 -2.324 15.474 8.909 235 3HZ LYS 31 3HZ LYS 31 -3.581 15.050 7.956 236 H LYS 32 H LYS 32 -4.423 11.685 2.562 237 HA LYS 32 HA LYS 32 -4.047 9.358 0.883 238 1HB LYS 32 1HB LYS 32 -6.293 10.491 1.550 239 2HB LYS 32 2HB LYS 32 -5.898 11.666 0.312 240 1HG LYS 32 1HG LYS 32 -5.453 9.546 -1.208 241 2HG LYS 32 2HG LYS 32 -6.396 8.690 -0.003 242 1HD LYS 32 1HD LYS 32 -7.784 11.144 -0.649 243 2HD LYS 32 2HD LYS 32 -7.346 10.357 -2.152 244 1HE LYS 32 1HE LYS 32 -8.324 8.188 -1.191 245 2HE LYS 32 2HE LYS 32 -8.929 9.135 0.155 246 1HZ LYS 32 1HZ LYS 32 -9.810 9.100 -2.582 247 2HZ LYS 32 2HZ LYS 32 -10.666 9.347 -1.213 248 3HZ LYS 32 3HZ LYS 32 -9.803 10.569 -1.868 249 H GLY 33 H GLY 33 -3.410 12.888 0.918 250 1HA GLY 33 1HA GLY 33 -2.674 13.256 -1.728 251 2HA GLY 33 2HA GLY 33 -2.063 14.158 -0.355 252 HA PRO 34 HA PRO 34 1.685 11.923 -0.448 253 1HB PRO 34 1HB PRO 34 2.131 10.795 2.001 254 2HB PRO 34 2HB PRO 34 2.370 12.500 1.673 255 1HG PRO 34 1HG PRO 34 0.171 11.187 3.149 256 2HG PRO 34 2HG PRO 34 0.656 12.871 3.171 257 1HD PRO 34 1HD PRO 34 -1.596 11.751 1.792 258 2HD PRO 34 2HD PRO 34 -1.043 13.413 1.721 259 H TRP 35 H TRP 35 -0.696 9.800 1.026 260 HA TRP 35 HA TRP 35 0.513 7.402 0.590 261 1HB TRP 35 1HB TRP 35 -1.500 7.475 1.802 262 2HB TRP 35 2HB TRP 35 -2.374 8.245 0.493 263 HD1 TRP 35 HD1 TRP 35 -2.900 6.572 -1.715 264 HE1 TRP 35 HE1 TRP 35 -3.410 3.988 -1.882 265 HE3 TRP 35 HE3 TRP 35 -0.969 5.362 2.831 266 HZ2 TRP 35 HZ2 TRP 35 -2.959 1.778 -0.134 267 HZ3 TRP 35 HZ3 TRP 35 -1.043 2.969 3.525 268 HH2 TRP 35 HH2 TRP 35 -1.995 1.205 2.125 269 H ARG 36 H ARG 36 -1.130 9.605 -1.719 270 HA ARG 36 HA ARG 36 -1.037 7.716 -3.816 271 1HB ARG 36 1HB ARG 36 -2.709 9.604 -3.666 272 2HB ARG 36 2HB ARG 36 -1.411 10.753 -3.927 273 1HG ARG 36 1HG ARG 36 -1.907 10.534 -6.144 274 2HG ARG 36 2HG ARG 36 -1.019 9.026 -6.052 275 1HD ARG 36 1HD ARG 36 -2.908 7.791 -6.367 276 2HD ARG 36 2HD ARG 36 -3.765 8.649 -5.101 277 HE ARG 36 HE ARG 36 -4.806 9.934 -6.745 278 1HH1 ARG 36 1HH1 ARG 36 -1.828 8.613 -8.075 279 2HH1 ARG 36 2HH1 ARG 36 -2.117 9.228 -9.668 280 1HH2 ARG 36 1HH2 ARG 36 -5.187 10.746 -8.846 281 2HH2 ARG 36 2HH2 ARG 36 -4.040 10.450 -10.110 282 H THR 37 H THR 37 0.847 10.656 -2.852 283 HA THR 37 HA THR 37 2.535 10.785 -5.049 284 HB THR 37 HB THR 37 2.777 11.556 -2.105 285 HG1 THR 37 HG1 THR 37 1.275 12.627 -3.659 286 1HG2 THR 37 1HG2 THR 37 4.943 12.219 -2.404 287 2HG2 THR 37 2HG2 THR 37 4.957 11.335 -3.949 288 3HG2 THR 37 3HG2 THR 37 4.504 13.056 -3.912 289 H PHE 38 H PHE 38 3.027 9.012 -1.925 290 HA PHE 38 HA PHE 38 5.499 7.971 -2.585 291 1HB PHE 38 1HB PHE 38 3.113 6.975 -0.926 292 2HB PHE 38 2HB PHE 38 4.658 6.148 -0.896 293 HD1 PHE 38 HD1 PHE 38 3.006 7.679 1.324 294 HD2 PHE 38 HD2 PHE 38 6.426 8.625 -1.003 295 HE1 PHE 38 HE1 PHE 38 3.803 9.233 3.127 296 HE2 PHE 38 HE2 PHE 38 7.223 10.179 0.800 297 HZ PHE 38 HZ PHE 38 5.902 10.465 2.843 298 H CYS 39 H CYS 39 2.286 7.143 -3.755 299 HA CYS 39 HA CYS 39 3.401 4.709 -4.943 300 1HB CYS 39 1HB CYS 39 1.362 4.528 -3.406 301 2HB CYS 39 2HB CYS 39 0.455 5.351 -4.660 302 HG CYS 39 HG CYS 39 0.183 2.647 -4.628 303 H ALA 40 H ALA 40 3.413 7.795 -5.650 304 HA ALA 40 HA ALA 40 2.065 7.623 -8.239 305 1HB ALA 40 1HB ALA 40 1.563 9.554 -6.773 306 2HB ALA 40 2HB ALA 40 3.291 9.983 -6.752 307 3HB ALA 40 3HB ALA 40 2.371 10.067 -8.274 308 H SER 41 H SER 41 5.246 8.480 -6.716 309 HA SER 41 HA SER 41 6.586 7.229 -8.874 310 1HB SER 41 1HB SER 41 5.932 9.861 -9.375 311 2HB SER 41 2HB SER 41 7.508 10.050 -8.633 312 HG SER 41 HG SER 41 6.805 8.905 -11.115 313 H GLU 42 H GLU 42 6.461 6.755 -6.079 314 HA GLU 42 HA GLU 42 9.131 7.628 -5.289 315 1HB GLU 42 1HB GLU 42 7.055 8.533 -3.970 316 2HB GLU 42 2HB GLU 42 6.958 6.919 -3.295 317 1HG GLU 42 1HG GLU 42 8.361 7.901 -1.723 318 2HG GLU 42 2HG GLU 42 9.567 7.288 -2.837 319 H TRP 43 H TRP 43 6.582 5.073 -4.953 320 HA TRP 43 HA TRP 43 8.463 3.169 -3.943 321 1HB TRP 43 1HB TRP 43 5.571 3.097 -4.751 322 2HB TRP 43 2HB TRP 43 6.450 1.612 -4.445 323 HD1 TRP 43 HD1 TRP 43 8.114 3.387 -1.952 324 HE1 TRP 43 HE1 TRP 43 6.971 3.480 0.424 325 HE3 TRP 43 HE3 TRP 43 3.462 2.109 -3.558 326 HZ2 TRP 43 HZ2 TRP 43 4.310 3.019 1.345 327 HZ3 TRP 43 HZ3 TRP 43 1.648 1.952 -1.856 328 HH2 TRP 43 HH2 TRP 43 2.012 2.383 0.522 329 HA PRO 44 HA PRO 44 8.030 1.805 -8.479 330 1HB PRO 44 1HB PRO 44 6.969 3.542 -10.301 331 2HB PRO 44 2HB PRO 44 6.037 2.274 -9.531 332 1HG PRO 44 1HG PRO 44 6.005 5.182 -8.998 333 2HG PRO 44 2HG PRO 44 4.814 3.973 -8.563 334 1HD PRO 44 1HD PRO 44 6.746 5.183 -6.822 335 2HD PRO 44 2HD PRO 44 5.632 3.893 -6.416 336 H THR 45 H THR 45 9.365 4.437 -7.164 337 HA THR 45 HA THR 45 11.254 4.681 -9.413 338 HB THR 45 HB THR 45 11.635 7.004 -8.224 339 HG1 THR 45 HG1 THR 45 10.345 6.451 -6.345 340 1HG2 THR 45 1HG2 THR 45 10.520 7.498 -10.187 341 2HG2 THR 45 2HG2 THR 45 9.408 6.120 -10.005 342 3HG2 THR 45 3HG2 THR 45 9.097 7.636 -9.126 343 H PHE 46 H PHE 46 11.080 2.734 -7.049 344 HA PHE 46 HA PHE 46 13.526 3.538 -5.672 345 1HB PHE 46 1HB PHE 46 11.178 1.657 -5.250 346 2HB PHE 46 2HB PHE 46 12.693 1.215 -4.488 347 HD1 PHE 46 HD1 PHE 46 12.265 4.752 -4.801 348 HD2 PHE 46 HD2 PHE 46 11.279 1.410 -2.379 349 HE1 PHE 46 HE1 PHE 46 11.752 6.291 -2.886 350 HE2 PHE 46 HE2 PHE 46 10.765 2.949 -0.464 351 HZ PHE 46 HZ PHE 46 11.008 5.372 -0.740 352 H ASP 47 H ASP 47 12.559 1.806 -8.406 353 HA ASP 47 HA ASP 47 13.576 0.421 -9.728 354 1HB ASP 47 1HB ASP 47 15.651 1.818 -8.763 355 2HB ASP 47 2HB ASP 47 16.061 0.290 -8.010 356 H VAL 48 H VAL 48 12.117 -1.316 -8.992 357 HA VAL 48 HA VAL 48 13.530 -3.512 -7.820 358 HB VAL 48 HB VAL 48 11.866 -3.837 -6.002 359 1HG1 VAL 48 1HG1 VAL 48 14.178 -2.787 -5.728 360 2HG1 VAL 48 2HG1 VAL 48 13.341 -1.218 -5.641 361 3HG1 VAL 48 3HG1 VAL 48 13.000 -2.477 -4.430 362 1HG2 VAL 48 1HG2 VAL 48 10.009 -2.524 -6.646 363 2HG2 VAL 48 2HG2 VAL 48 10.691 -1.702 -5.222 364 3HG2 VAL 48 3HG2 VAL 48 11.005 -1.064 -6.854 365 H GLY 49 H GLY 49 10.357 -2.067 -8.784 366 1HA GLY 49 1HA GLY 49 9.588 -3.230 -10.915 367 2HA GLY 49 2HA GLY 49 9.609 -4.681 -9.932 368 H TRP 50 H TRP 50 8.660 -1.317 -8.984 369 HA TRP 50 HA TRP 50 6.054 -2.419 -8.214 370 1HB TRP 50 1HB TRP 50 7.213 -1.511 -6.351 371 2HB TRP 50 2HB TRP 50 7.644 -0.055 -7.226 372 HD1 TRP 50 HD1 TRP 50 5.533 1.716 -7.705 373 HE1 TRP 50 HE1 TRP 50 3.322 2.256 -6.370 374 HE3 TRP 50 HE3 TRP 50 5.523 -2.563 -4.958 375 HZ2 TRP 50 HZ2 TRP 50 1.850 0.865 -4.360 376 HZ3 TRP 50 HZ3 TRP 50 3.663 -2.894 -3.332 377 HH2 TRP 50 HH2 TRP 50 1.869 -1.266 -3.011 378 HA PRO 51 HA PRO 51 4.506 -0.094 -11.574 379 1HB PRO 51 1HB PRO 51 1.845 -0.601 -11.209 380 2HB PRO 51 2HB PRO 51 2.923 -1.697 -12.050 381 1HG PRO 51 1HG PRO 51 1.794 -1.933 -9.329 382 2HG PRO 51 2HG PRO 51 2.506 -3.179 -10.333 383 1HD PRO 51 1HD PRO 51 3.735 -1.867 -8.099 384 2HD PRO 51 2HD PRO 51 4.486 -3.029 -9.174 385 HA PRO 52 HA PRO 52 3.261 3.696 -10.134 386 1HB PRO 52 1HB PRO 52 1.811 4.751 -12.196 387 2HB PRO 52 2HB PRO 52 3.563 4.727 -12.170 388 1HG PRO 52 1HG PRO 52 1.709 3.033 -13.729 389 2HG PRO 52 2HG PRO 52 3.417 3.321 -13.993 390 1HD PRO 52 1HD PRO 52 2.230 0.976 -12.845 391 2HD PRO 52 2HD PRO 52 3.942 1.314 -13.002 392 H GLU 53 H GLU 53 0.657 1.762 -11.432 393 HA GLU 53 HA GLU 53 -1.268 3.253 -9.967 394 1HB GLU 53 1HB GLU 53 -2.867 1.572 -10.824 395 2HB GLU 53 2HB GLU 53 -1.849 2.187 -12.111 396 1HG GLU 53 1HG GLU 53 -0.394 -0.006 -11.109 397 2HG GLU 53 2HG GLU 53 -2.058 -0.551 -11.045 398 H GLY 54 H GLY 54 1.032 0.842 -9.194 399 1HA GLY 54 1HA GLY 54 1.392 0.122 -7.008 400 2HA GLY 54 2HA GLY 54 -0.302 0.363 -6.629 401 H THR 55 H THR 55 0.666 -1.994 -5.776 402 HA THR 55 HA THR 55 -0.793 -3.881 -7.376 403 HB THR 55 HB THR 55 1.579 -3.689 -8.412 404 HG1 THR 55 HG1 THR 55 0.620 -6.136 -7.099 405 1HG2 THR 55 1HG2 THR 55 3.234 -5.201 -7.170 406 2HG2 THR 55 2HG2 THR 55 2.994 -3.604 -6.421 407 3HG2 THR 55 3HG2 THR 55 2.194 -5.039 -5.735 408 H PHE 56 H PHE 56 -1.611 -5.542 -6.163 409 HA PHE 56 HA PHE 56 -1.125 -5.275 -3.319 410 1HB PHE 56 1HB PHE 56 -3.081 -6.768 -5.153 411 2HB PHE 56 2HB PHE 56 -3.073 -7.059 -3.425 412 HD1 PHE 56 HD1 PHE 56 -4.696 -5.318 -5.899 413 HD2 PHE 56 HD2 PHE 56 -3.060 -4.702 -2.032 414 HE1 PHE 56 HE1 PHE 56 -6.229 -3.359 -5.562 415 HE2 PHE 56 HE2 PHE 56 -4.593 -2.743 -1.696 416 HZ PHE 56 HZ PHE 56 -6.158 -2.095 -3.465 417 H ASP 57 H ASP 57 1.129 -6.301 -4.706 418 HA ASP 57 HA ASP 57 0.952 -9.149 -4.154 419 1HB ASP 57 1HB ASP 57 1.781 -8.356 -6.414 420 2HB ASP 57 2HB ASP 57 3.124 -7.567 -5.610 421 H LEU 58 H LEU 58 1.477 -9.420 -1.953 422 HA LEU 58 HA LEU 58 2.902 -7.750 -0.367 423 1HB LEU 58 1HB LEU 58 1.589 -9.656 0.395 424 2HB LEU 58 2HB LEU 58 2.773 -10.767 -0.264 425 HG LEU 58 HG LEU 58 4.432 -9.479 1.339 426 1HD1 LEU 58 1HD1 LEU 58 2.186 -8.045 1.928 427 2HD1 LEU 58 2HD1 LEU 58 2.183 -9.261 3.228 428 3HD1 LEU 58 3HD1 LEU 58 3.602 -8.213 2.993 429 1HD2 LEU 58 1HD2 LEU 58 2.483 -11.673 1.983 430 2HD2 LEU 58 2HD2 LEU 58 4.232 -11.761 1.664 431 3HD2 LEU 58 3HD2 LEU 58 3.641 -11.103 3.209 432 H THR 59 H THR 59 4.139 -10.225 -2.651 433 HA THR 59 HA THR 59 6.790 -10.244 -1.845 434 HB THR 59 HB THR 59 5.340 -10.658 -4.496 435 HG1 THR 59 HG1 THR 59 5.776 -12.838 -3.799 436 1HG2 THR 59 1HG2 THR 59 8.296 -10.643 -3.888 437 2HG2 THR 59 2HG2 THR 59 7.663 -11.996 -4.857 438 3HG2 THR 59 3HG2 THR 59 7.462 -10.322 -5.428 439 H VAL 60 H VAL 60 5.211 -8.108 -4.313 440 HA VAL 60 HA VAL 60 7.574 -6.633 -4.752 441 HB VAL 60 HB VAL 60 4.657 -6.037 -5.280 442 1HG1 VAL 60 1HG1 VAL 60 5.183 -4.063 -6.224 443 2HG1 VAL 60 2HG1 VAL 60 6.673 -4.168 -5.256 444 3HG1 VAL 60 3HG1 VAL 60 6.676 -4.699 -6.955 445 1HG2 VAL 60 1HG2 VAL 60 6.506 -7.845 -6.493 446 2HG2 VAL 60 2HG2 VAL 60 4.834 -7.473 -6.975 447 3HG2 VAL 60 3HG2 VAL 60 6.185 -6.527 -7.645 448 H ILE 61 H ILE 61 4.837 -6.388 -2.465 449 HA ILE 61 HA ILE 61 5.367 -3.777 -1.605 450 HB ILE 61 HB ILE 61 3.953 -6.136 -0.388 451 1HG1 ILE 61 1HG1 ILE 61 2.737 -3.520 -1.246 452 2HG1 ILE 61 2HG1 ILE 61 3.110 -4.752 -2.436 453 1HG2 ILE 61 1HG2 ILE 61 3.964 -3.342 0.769 454 2HG2 ILE 61 2HG2 ILE 61 3.202 -4.807 1.433 455 3HG2 ILE 61 3HG2 ILE 61 4.976 -4.670 1.386 456 1HD1 ILE 61 1HD1 ILE 61 1.368 -6.066 -1.786 457 2HD1 ILE 61 2HD1 ILE 61 1.748 -5.857 -0.060 458 3HD1 ILE 61 3HD1 ILE 61 0.782 -4.630 -0.913 459 H PHE 62 H PHE 62 6.386 -7.004 -0.296 460 HA PHE 62 HA PHE 62 7.823 -6.087 1.848 461 1HB PHE 62 1HB PHE 62 7.584 -8.455 0.092 462 2HB PHE 62 2HB PHE 62 9.238 -8.273 0.640 463 HD1 PHE 62 HD1 PHE 62 9.826 -9.304 2.615 464 HD2 PHE 62 HD2 PHE 62 5.776 -8.170 2.046 465 HE1 PHE 62 HE1 PHE 62 9.219 -10.375 4.802 466 HE2 PHE 62 HE2 PHE 62 5.169 -9.242 4.233 467 HZ PHE 62 HZ PHE 62 6.897 -10.331 5.585 468 H GLU 63 H GLU 63 8.644 -6.056 -1.615 469 HA GLU 63 HA GLU 63 11.390 -5.731 -1.277 470 1HB GLU 63 1HB GLU 63 9.512 -4.940 -3.543 471 2HB GLU 63 2HB GLU 63 11.256 -4.802 -3.654 472 1HG GLU 63 1HG GLU 63 11.560 -7.192 -3.400 473 2HG GLU 63 2HG GLU 63 9.895 -7.424 -2.905 474 H VAL 64 H VAL 64 8.718 -3.336 -1.853 475 HA VAL 64 HA VAL 64 10.462 -1.112 -1.598 476 HB VAL 64 HB VAL 64 7.507 -1.568 -1.780 477 1HG1 VAL 64 1HG1 VAL 64 8.771 1.147 -1.276 478 2HG1 VAL 64 2HG1 VAL 64 7.049 0.804 -1.566 479 3HG1 VAL 64 3HG1 VAL 64 7.835 0.219 -0.080 480 1HG2 VAL 64 1HG2 VAL 64 8.929 -1.571 -3.815 481 2HG2 VAL 64 2HG2 VAL 64 7.720 -0.265 -3.819 482 3HG2 VAL 64 3HG2 VAL 64 9.422 0.099 -3.446 483 H LYS 65 H LYS 65 8.416 -3.045 0.603 484 HA LYS 65 HA LYS 65 8.380 -1.267 2.741 485 1HB LYS 65 1HB LYS 65 6.867 -3.036 2.848 486 2HB LYS 65 2HB LYS 65 8.072 -4.242 2.445 487 1HG LYS 65 1HG LYS 65 9.219 -3.735 4.666 488 2HG LYS 65 2HG LYS 65 7.871 -2.688 5.066 489 1HD LYS 65 1HD LYS 65 7.280 -5.519 4.186 490 2HD LYS 65 2HD LYS 65 7.893 -5.262 5.808 491 1HE LYS 65 1HE LYS 65 6.039 -3.686 6.295 492 2HE LYS 65 2HE LYS 65 5.452 -3.832 4.650 493 1HZ LYS 65 1HZ LYS 65 5.718 -6.384 5.691 494 2HZ LYS 65 2HZ LYS 65 4.919 -5.493 6.801 495 3HZ LYS 65 3HZ LYS 65 4.344 -5.606 5.277 496 H ALA 66 H ALA 66 10.605 -4.079 2.129 497 HA ALA 66 HA ALA 66 12.266 -3.661 4.273 498 1HB ALA 66 1HB ALA 66 12.122 -5.349 2.059 499 2HB ALA 66 2HB ALA 66 13.671 -4.501 1.837 500 3HB ALA 66 3HB ALA 66 13.357 -5.402 3.339 501 H ILE 67 H ILE 67 12.136 -2.019 1.092 502 HA ILE 67 HA ILE 67 14.596 -0.716 1.279 503 HB ILE 67 HB ILE 67 12.043 -0.228 -0.215 504 1HG1 ILE 67 1HG1 ILE 67 14.776 -0.699 -1.380 505 2HG1 ILE 67 2HG1 ILE 67 13.864 -2.044 -0.721 506 1HG2 ILE 67 1HG2 ILE 67 13.460 1.522 -1.494 507 2HG2 ILE 67 2HG2 ILE 67 12.673 1.993 0.031 508 3HG2 ILE 67 3HG2 ILE 67 14.412 1.614 0.008 509 1HD1 ILE 67 1HD1 ILE 67 13.579 -0.906 -3.290 510 2HD1 ILE 67 2HD1 ILE 67 12.504 -2.106 -2.533 511 3HD1 ILE 67 3HD1 ILE 67 12.141 -0.370 -2.388 512 H VAL 68 H VAL 68 11.256 0.374 2.195 513 HA VAL 68 HA VAL 68 12.212 2.798 3.308 514 HB VAL 68 HB VAL 68 10.005 3.241 3.771 515 1HG1 VAL 68 1HG1 VAL 68 10.583 2.088 1.320 516 2HG1 VAL 68 2HG1 VAL 68 9.098 1.245 1.825 517 3HG1 VAL 68 3HG1 VAL 68 9.121 3.022 1.721 518 1HG2 VAL 68 1HG2 VAL 68 8.302 1.677 4.376 519 2HG2 VAL 68 2HG2 VAL 68 9.307 0.292 3.883 520 3HG2 VAL 68 3HG2 VAL 68 9.756 1.253 5.312 521 H PHE 69 H PHE 69 11.618 -0.513 4.510 522 HA PHE 69 HA PHE 69 12.058 0.337 7.238 523 1HB PHE 69 1HB PHE 69 11.334 -2.176 5.681 524 2HB PHE 69 2HB PHE 69 11.965 -2.382 7.303 525 HD1 PHE 69 HD1 PHE 69 10.662 -1.748 9.235 526 HD2 PHE 69 HD2 PHE 69 9.166 -1.091 5.319 527 HE1 PHE 69 HE1 PHE 69 8.373 -1.341 10.179 528 HE2 PHE 69 HE2 PHE 69 6.876 -0.684 6.263 529 HZ PHE 69 HZ PHE 69 6.506 -0.814 8.681 530 H GLN 70 H GLN 70 14.135 0.240 4.809 531 HA GLN 70 HA GLN 70 16.007 -1.680 5.521 532 1HB GLN 70 1HB GLN 70 17.439 -0.617 3.957 533 2HB GLN 70 2HB GLN 70 15.826 -0.294 3.353 534 1HG GLN 70 1HG GLN 70 15.860 1.953 4.449 535 2HG GLN 70 2HG GLN 70 17.467 1.631 5.067 536 1HE2 GLN 70 1HE2 GLN 70 15.559 1.793 2.086 537 2HE2 GLN 70 2HE2 GLN 70 16.818 2.360 1.040 538 H ASP 71 H ASP 71 18.476 -0.401 5.866 539 HA ASP 71 HA ASP 71 18.098 0.633 8.552 540 1HB ASP 71 1HB ASP 71 19.547 -1.368 8.292 541 2HB ASP 71 2HB ASP 71 20.554 -0.512 7.141 542 H GLY 72 H GLY 72 19.874 2.349 9.195 543 1HA GLY 72 1HA GLY 72 21.105 4.212 8.774 544 2HA GLY 72 2HA GLY 72 21.038 3.882 7.054 545 HA PRO 73 HA PRO 73 18.185 7.337 7.952 546 1HB PRO 73 1HB PRO 73 19.416 9.281 6.478 547 2HB PRO 73 2HB PRO 73 19.669 9.080 8.200 548 1HG PRO 73 1HG PRO 73 21.468 8.364 5.967 549 2HG PRO 73 2HG PRO 73 21.853 8.570 7.664 550 1HD PRO 73 1HD PRO 73 21.559 6.086 6.259 551 2HD PRO 73 2HD PRO 73 21.829 6.292 7.979 552 H GLY 74 H GLY 74 19.152 5.471 5.432 553 1HA GLY 74 1HA GLY 74 17.755 6.742 3.305 554 2HA GLY 74 2HA GLY 74 18.336 5.090 3.364 555 H SER 75 H SER 75 16.873 4.492 5.940 556 HA SER 75 HA SER 75 14.606 3.430 4.830 557 1HB SER 75 1HB SER 75 13.864 3.276 7.326 558 2HB SER 75 2HB SER 75 15.322 2.435 6.836 559 HG SER 75 HG SER 75 15.010 4.682 8.517 560 H HIS 76 H HIS 76 12.319 3.988 5.061 561 HA HIS 76 HA HIS 76 11.936 6.847 5.583 562 1HB HIS 76 1HB HIS 76 10.084 5.345 3.783 563 2HB HIS 76 2HB HIS 76 10.519 7.042 3.780 564 HD1 HIS 76 HD1 HIS 76 13.150 7.503 2.973 565 HD2 HIS 76 HD2 HIS 76 11.360 3.876 1.859 566 HE1 HIS 76 HE1 HIS 76 14.528 6.594 1.027 567 HA PRO 77 HA PRO 77 9.442 4.875 8.679 568 1HB PRO 77 1HB PRO 77 9.598 6.886 10.523 569 2HB PRO 77 2HB PRO 77 10.744 5.562 10.449 570 1HG PRO 77 1HG PRO 77 11.096 8.369 9.590 571 2HG PRO 77 2HG PRO 77 12.321 7.161 9.921 572 1HD PRO 77 1HD PRO 77 11.435 8.045 7.340 573 2HD PRO 77 2HD PRO 77 12.575 6.756 7.672 574 H ASP 78 H ASP 78 9.010 7.465 6.683 575 HA ASP 78 HA ASP 78 6.555 8.301 7.859 576 1HB ASP 78 1HB ASP 78 7.914 8.898 5.194 577 2HB ASP 78 2HB ASP 78 6.377 9.605 5.648 578 H GLN 79 H GLN 79 7.746 6.283 5.119 579 HA GLN 79 HA GLN 79 5.054 5.778 4.251 580 1HB GLN 79 1HB GLN 79 7.681 4.621 3.222 581 2HB GLN 79 2HB GLN 79 6.123 4.502 2.428 582 1HG GLN 79 1HG GLN 79 6.029 6.914 2.073 583 2HG GLN 79 2HG GLN 79 7.429 7.177 3.093 584 1HE2 GLN 79 1HE2 GLN 79 8.841 8.023 1.713 585 2HE2 GLN 79 2HE2 GLN 79 9.449 7.261 0.281 586 H GLN 80 H GLN 80 7.345 4.501 6.494 587 HA GLN 80 HA GLN 80 7.046 1.828 6.330 588 1HB GLN 80 1HB GLN 80 7.650 3.781 8.471 589 2HB GLN 80 2HB GLN 80 6.996 2.272 9.077 590 1HG GLN 80 1HG GLN 80 8.733 0.977 7.948 591 2HG GLN 80 2HG GLN 80 9.297 2.388 7.076 592 1HE2 GLN 80 1HE2 GLN 80 11.340 2.420 7.832 593 2HE2 GLN 80 2HE2 GLN 80 11.789 2.743 9.474 594 HA PRO 81 HA PRO 81 2.967 2.238 8.733 595 1HB PRO 81 1HB PRO 81 1.772 4.686 8.949 596 2HB PRO 81 2HB PRO 81 2.787 4.001 10.203 597 1HG PRO 81 1HG PRO 81 3.416 6.159 8.282 598 2HG PRO 81 2HG PRO 81 4.225 5.755 9.784 599 1HD PRO 81 1HD PRO 81 5.136 5.160 7.130 600 2HD PRO 81 2HD PRO 81 5.884 4.657 8.632 601 H TYR 82 H TYR 82 3.572 3.985 5.864 602 HA TYR 82 HA TYR 82 0.868 3.763 4.923 603 1HB TYR 82 1HB TYR 82 3.637 4.467 3.783 604 2HB TYR 82 2HB TYR 82 2.209 4.485 2.767 605 HD1 TYR 82 HD1 TYR 82 3.095 5.788 6.185 606 HD2 TYR 82 HD2 TYR 82 1.383 6.602 2.349 607 HE1 TYR 82 HE1 TYR 82 2.608 8.179 6.901 608 HE2 TYR 82 HE2 TYR 82 0.902 8.990 3.079 609 HH TYR 82 HH TYR 82 0.767 10.343 4.822 610 H ILE 83 H ILE 83 4.054 2.190 4.180 611 HA ILE 83 HA ILE 83 2.934 0.443 2.265 612 HB ILE 83 HB ILE 83 5.296 1.168 2.365 613 1HG1 ILE 83 1HG1 ILE 83 6.223 -0.925 1.615 614 2HG1 ILE 83 2HG1 ILE 83 5.010 -1.845 2.483 615 1HG2 ILE 83 1HG2 ILE 83 6.827 0.416 3.951 616 2HG2 ILE 83 2HG2 ILE 83 5.395 0.837 4.920 617 3HG2 ILE 83 3HG2 ILE 83 5.742 -0.867 4.539 618 1HD1 ILE 83 1HD1 ILE 83 3.961 0.203 0.568 619 2HD1 ILE 83 2HD1 ILE 83 4.778 -1.207 -0.148 620 3HD1 ILE 83 3HD1 ILE 83 3.369 -1.440 0.914 621 H THR 84 H THR 84 3.407 0.346 5.802 622 HA THR 84 HA THR 84 3.081 -2.367 6.229 623 HB THR 84 HB THR 84 2.397 0.152 7.809 624 HG1 THR 84 HG1 THR 84 4.323 -2.061 7.952 625 1HG2 THR 84 1HG2 THR 84 1.122 -2.186 8.408 626 2HG2 THR 84 2HG2 THR 84 2.696 -2.511 9.172 627 3HG2 THR 84 3HG2 THR 84 1.743 -1.091 9.666 628 H VAL 85 H VAL 85 0.584 0.189 5.760 629 HA VAL 85 HA VAL 85 -1.590 -1.493 6.287 630 HB VAL 85 HB VAL 85 -1.240 1.058 4.717 631 1HG1 VAL 85 1HG1 VAL 85 -3.675 -0.659 5.068 632 2HG1 VAL 85 2HG1 VAL 85 -3.857 1.112 5.090 633 3HG1 VAL 85 3HG1 VAL 85 -3.149 0.307 3.668 634 1HG2 VAL 85 1HG2 VAL 85 -2.914 1.473 6.911 635 2HG2 VAL 85 2HG2 VAL 85 -1.659 0.366 7.518 636 3HG2 VAL 85 3HG2 VAL 85 -1.196 1.919 6.782 637 H TRP 86 H TRP 86 0.278 -0.745 3.303 638 HA TRP 86 HA TRP 86 -1.388 -1.964 1.471 639 1HB TRP 86 1HB TRP 86 1.524 -1.342 1.613 640 2HB TRP 86 2HB TRP 86 0.977 -2.431 0.354 641 HD1 TRP 86 HD1 TRP 86 0.537 1.242 1.485 642 HE1 TRP 86 HE1 TRP 86 -0.357 2.743 -0.493 643 HE3 TRP 86 HE3 TRP 86 -0.280 -2.593 -1.751 644 HZ2 TRP 86 HZ2 TRP 86 -1.284 2.170 -3.130 645 HZ3 TRP 86 HZ3 TRP 86 -1.181 -2.036 -4.008 646 HH2 TRP 86 HH2 TRP 86 -1.681 0.249 -4.716 647 H GLN 87 H GLN 87 1.396 -3.329 3.373 648 HA GLN 87 HA GLN 87 1.170 -5.888 2.409 649 1HB GLN 87 1HB GLN 87 3.138 -5.282 3.625 650 2HB GLN 87 2HB GLN 87 2.221 -4.751 5.020 651 1HG GLN 87 1HG GLN 87 1.732 -7.587 4.279 652 2HG GLN 87 2HG GLN 87 3.390 -7.255 4.736 653 1HE2 GLN 87 1HE2 GLN 87 3.429 -8.229 6.672 654 2HE2 GLN 87 2HE2 GLN 87 2.500 -7.754 8.054 655 H ASP 88 H ASP 88 -0.671 -4.163 4.923 656 HA ASP 88 HA ASP 88 -1.798 -6.495 6.022 657 1HB ASP 88 1HB ASP 88 -1.664 -3.853 6.761 658 2HB ASP 88 2HB ASP 88 -3.308 -3.913 6.158 659 H LEU 89 H LEU 89 -2.548 -4.214 3.374 660 HA LEU 89 HA LEU 89 -5.244 -4.892 3.027 661 1HB LEU 89 1HB LEU 89 -3.121 -3.582 1.381 662 2HB LEU 89 2HB LEU 89 -4.616 -4.066 0.606 663 HG LEU 89 HG LEU 89 -4.637 -2.365 3.097 664 1HD1 LEU 89 1HD1 LEU 89 -3.355 -1.579 0.764 665 2HD1 LEU 89 2HD1 LEU 89 -4.979 -0.862 0.624 666 3HD1 LEU 89 3HD1 LEU 89 -3.973 -0.515 2.051 667 1HD2 LEU 89 1HD2 LEU 89 -6.841 -2.188 2.775 668 2HD2 LEU 89 2HD2 LEU 89 -6.664 -1.945 1.020 669 3HD2 LEU 89 3HD2 LEU 89 -6.659 -3.592 1.696 670 H VAL 90 H VAL 90 -2.242 -6.058 1.344 671 HA VAL 90 HA VAL 90 -3.550 -7.931 -0.242 672 HB VAL 90 HB VAL 90 -1.325 -8.911 -0.509 673 1HG1 VAL 90 1HG1 VAL 90 -0.341 -7.083 -1.611 674 2HG1 VAL 90 2HG1 VAL 90 -2.079 -6.698 -1.592 675 3HG1 VAL 90 3HG1 VAL 90 -0.980 -5.910 -0.435 676 1HG2 VAL 90 1HG2 VAL 90 -0.522 -8.811 1.785 677 2HG2 VAL 90 2HG2 VAL 90 0.611 -7.955 0.711 678 3HG2 VAL 90 3HG2 VAL 90 -0.514 -7.032 1.735 679 H GLN 91 H GLN 91 -2.083 -8.183 3.053 680 HA GLN 91 HA GLN 91 -2.384 -10.879 3.361 681 1HB GLN 91 1HB GLN 91 -2.322 -8.536 5.262 682 2HB GLN 91 2HB GLN 91 -2.694 -10.125 5.902 683 1HG GLN 91 1HG GLN 91 -0.331 -9.916 4.050 684 2HG GLN 91 2HG GLN 91 -0.154 -9.220 5.648 685 1HE2 GLN 91 1HE2 GLN 91 1.469 -11.200 5.105 686 2HE2 GLN 91 2HE2 GLN 91 1.035 -12.681 5.891 687 H ASN 92 H ASN 92 -4.649 -8.295 4.579 688 HA ASN 92 HA ASN 92 -6.675 -10.336 4.802 689 1HB ASN 92 1HB ASN 92 -6.287 -7.528 5.845 690 2HB ASN 92 2HB ASN 92 -7.938 -8.081 5.651 691 1HD2 ASN 92 1HD2 ASN 92 -4.921 -8.489 7.319 692 2HD2 ASN 92 2HD2 ASN 92 -5.466 -9.538 8.586 693 H SER 93 H SER 93 -6.118 -10.012 2.144 694 HA SER 93 HA SER 93 -6.972 -7.996 0.681 695 1HB SER 93 1HB SER 93 -7.683 -9.679 -1.047 696 2HB SER 93 2HB SER 93 -6.121 -10.027 -0.334 697 HG SER 93 HG SER 93 -7.046 -11.978 -0.110 698 HA PRO 94 HA PRO 94 -11.181 -7.622 1.976 699 1HB PRO 94 1HB PRO 94 -11.620 -5.128 0.949 700 2HB PRO 94 2HB PRO 94 -10.943 -5.403 2.542 701 1HG PRO 94 1HG PRO 94 -9.573 -4.529 0.072 702 2HG PRO 94 2HG PRO 94 -9.028 -4.403 1.733 703 1HD PRO 94 1HD PRO 94 -8.143 -6.304 -0.224 704 2HD PRO 94 2HD PRO 94 -7.685 -6.250 1.466 705 HA PRO 95 HA PRO 95 -13.529 -8.556 -1.437 706 1HB PRO 95 1HB PRO 95 -15.971 -7.412 -0.993 707 2HB PRO 95 2HB PRO 95 -15.458 -8.904 -0.230 708 1HG PRO 95 1HG PRO 95 -15.663 -6.199 0.943 709 2HG PRO 95 2HG PRO 95 -15.571 -7.746 1.761 710 1HD PRO 95 1HD PRO 95 -13.454 -5.834 1.462 711 2HD PRO 95 2HD PRO 95 -13.332 -7.430 2.177 712 H TRP 96 H TRP 96 -13.164 -5.217 -0.733 713 HA TRP 96 HA TRP 96 -14.167 -4.389 -3.291 714 1HB TRP 96 1HB TRP 96 -13.347 -2.172 -2.592 715 2HB TRP 96 2HB TRP 96 -14.456 -2.907 -1.453 716 HD1 TRP 96 HD1 TRP 96 -13.444 -3.565 0.981 717 HE1 TRP 96 HE1 TRP 96 -11.265 -2.931 2.327 718 HE3 TRP 96 HE3 TRP 96 -10.900 -1.684 -3.000 719 HZ2 TRP 96 HZ2 TRP 96 -8.777 -1.741 1.592 720 HZ3 TRP 96 HZ3 TRP 96 -8.601 -0.806 -2.599 721 HH2 TRP 96 HH2 TRP 96 -7.538 -0.813 -0.399 722 H ILE 97 H ILE 97 -11.500 -6.140 -2.325 723 HA ILE 97 HA ILE 97 -9.838 -4.946 -4.435 724 HB ILE 97 HB ILE 97 -9.087 -6.192 -1.800 725 1HG1 ILE 97 1HG1 ILE 97 -8.491 -3.517 -3.097 726 2HG1 ILE 97 2HG1 ILE 97 -9.560 -3.809 -1.740 727 1HG2 ILE 97 1HG2 ILE 97 -6.876 -6.477 -2.438 728 2HG2 ILE 97 2HG2 ILE 97 -7.773 -7.073 -3.855 729 3HG2 ILE 97 3HG2 ILE 97 -7.047 -5.448 -3.880 730 1HD1 ILE 97 1HD1 ILE 97 -6.980 -4.996 -1.159 731 2HD1 ILE 97 2HD1 ILE 97 -6.754 -3.304 -1.665 732 3HD1 ILE 97 3HD1 ILE 97 -7.824 -3.689 -0.295 733 H LYS 98 H LYS 98 -10.288 -8.067 -2.616 734 HA LYS 98 HA LYS 98 -10.829 -9.422 -5.084 735 1HB LYS 98 1HB LYS 98 -8.122 -9.434 -3.918 736 2HB LYS 98 2HB LYS 98 -8.777 -11.032 -4.215 737 1HG LYS 98 1HG LYS 98 -9.313 -9.156 -6.438 738 2HG LYS 98 2HG LYS 98 -7.600 -9.359 -6.128 739 1HD LYS 98 1HD LYS 98 -9.163 -11.896 -6.100 740 2HD LYS 98 2HD LYS 98 -9.137 -11.081 -7.651 741 1HE LYS 98 1HE LYS 98 -7.093 -12.017 -7.991 742 2HE LYS 98 2HE LYS 98 -6.470 -10.898 -6.795 743 1HZ LYS 98 1HZ LYS 98 -7.315 -12.670 -5.159 744 2HZ LYS 98 2HZ LYS 98 -7.251 -13.677 -6.443 745 3HZ LYS 98 3HZ LYS 98 -5.900 -12.913 -5.937 746 H SER 99 H SER 99 -12.375 -10.898 -4.640 747 HA SER 99 HA SER 99 -12.185 -12.493 -2.318 748 1HB SER 99 1HB SER 99 -13.143 -10.696 -1.098 749 2HB SER 99 2HB SER 99 -14.200 -10.233 -2.416 750 HG SER 99 HG SER 99 -15.694 -11.575 -1.683 751 H GLY 100 H GLY 100 -12.223 -14.094 -4.050 752 1HA GLY 100 1HA GLY 100 -14.928 -14.816 -4.826 753 2HA GLY 100 2HA GLY 100 -13.849 -14.405 -6.145 754 HA PRO 101 HA PRO 101 -13.107 -18.744 -4.596 755 1HB PRO 101 1HB PRO 101 -14.776 -20.245 -6.155 756 2HB PRO 101 2HB PRO 101 -15.160 -19.784 -4.508 757 1HG PRO 101 1HG PRO 101 -16.241 -18.699 -7.036 758 2HG PRO 101 2HG PRO 101 -16.896 -18.568 -5.416 759 1HD PRO 101 1HD PRO 101 -15.500 -16.529 -6.873 760 2HD PRO 101 2HD PRO 101 -16.052 -16.439 -5.212 761 H SER 102 H SER 102 -11.111 -19.149 -5.294 762 HA SER 102 HA SER 102 -10.606 -18.693 -8.052 763 1HB SER 102 1HB SER 102 -9.042 -18.364 -5.946 764 2HB SER 102 2HB SER 102 -8.675 -20.064 -6.164 765 HG SER 102 HG SER 102 -8.252 -17.908 -8.041 766 H SER 103 H SER 103 -9.256 -20.480 -9.291 767 HA SER 103 HA SER 103 -9.174 -22.437 -10.224 768 1HB SER 103 1HB SER 103 -8.580 -23.167 -7.842 769 2HB SER 103 2HB SER 103 -10.249 -23.662 -7.650 770 HG SER 103 HG SER 103 -8.414 -24.653 -9.664 771 H GLY 104 H GLY 104 -10.538 -23.990 -11.390 772 1HA GLY 104 1HA GLY 104 -12.764 -25.037 -11.453 773 2HA GLY 104 2HA GLY 104 -13.430 -23.475 -11.021 Start of MODEL 11 1 1H GLY 0 1H GLY 0 0.069 -13.927 -15.426 2 1HA GLY 0 1HA GLY 0 -1.523 -13.396 -13.036 3 2HA GLY 0 2HA GLY 0 -0.943 -12.004 -13.929 4 H SER 1 H SER 1 -3.163 -11.424 -14.454 5 HA SER 1 HA SER 1 -4.283 -13.199 -16.482 6 1HB SER 1 1HB SER 1 -5.598 -11.507 -14.346 7 2HB SER 1 2HB SER 1 -6.475 -11.864 -15.820 8 HG SER 1 HG SER 1 -7.002 -13.673 -14.789 9 H SER 2 H SER 2 -5.848 -11.825 -18.021 10 HA SER 2 HA SER 2 -4.183 -9.702 -18.997 11 1HB SER 2 1HB SER 2 -5.602 -9.799 -20.997 12 2HB SER 2 2HB SER 2 -5.091 -11.414 -20.550 13 HG SER 2 HG SER 2 -7.332 -11.444 -21.029 14 H GLY 3 H GLY 3 -5.339 -7.630 -19.830 15 1HA GLY 3 1HA GLY 3 -6.499 -5.763 -19.368 16 2HA GLY 3 2HA GLY 3 -7.819 -6.803 -18.873 17 H SER 4 H SER 4 -7.226 -4.293 -17.616 18 HA SER 4 HA SER 4 -6.193 -5.229 -15.054 19 1HB SER 4 1HB SER 4 -5.821 -2.718 -16.588 20 2HB SER 4 2HB SER 4 -6.198 -2.458 -14.897 21 HG SER 4 HG SER 4 -3.972 -3.877 -16.045 22 H SER 5 H SER 5 -8.433 -2.716 -16.460 23 HA SER 5 HA SER 5 -10.276 -1.843 -15.674 24 1HB SER 5 1HB SER 5 -10.810 -4.804 -15.209 25 2HB SER 5 2HB SER 5 -12.058 -3.587 -15.033 26 HG SER 5 HG SER 5 -12.031 -3.158 -17.206 27 H GLY 6 H GLY 6 -9.327 -0.665 -13.871 28 1HA GLY 6 1HA GLY 6 -9.919 -0.055 -11.675 29 2HA GLY 6 2HA GLY 6 -10.177 -1.739 -11.267 30 H THR 7 H THR 7 -8.174 0.769 -10.614 31 HA THR 7 HA THR 7 -5.728 -0.857 -10.609 32 HB THR 7 HB THR 7 -4.770 1.529 -10.061 33 HG1 THR 7 HG1 THR 7 -6.333 3.177 -10.642 34 1HG2 THR 7 1HG2 THR 7 -5.846 2.106 -12.646 35 2HG2 THR 7 2HG2 THR 7 -4.240 1.430 -12.281 36 3HG2 THR 7 3HG2 THR 7 -5.614 0.342 -12.591 37 HA PRO 8 HA PRO 8 -5.770 -1.225 -6.336 38 1HB PRO 8 1HB PRO 8 -3.125 -1.116 -5.658 39 2HB PRO 8 2HB PRO 8 -3.884 -2.545 -6.331 40 1HG PRO 8 1HG PRO 8 -2.070 -0.617 -7.646 41 2HG PRO 8 2HG PRO 8 -2.491 -2.243 -8.144 42 1HD PRO 8 1HD PRO 8 -3.485 0.205 -9.260 43 2HD PRO 8 2HD PRO 8 -3.992 -1.419 -9.678 44 H LEU 9 H LEU 9 -3.703 1.440 -7.341 45 HA LEU 9 HA LEU 9 -3.785 2.769 -4.894 46 1HB LEU 9 1HB LEU 9 -2.134 3.290 -6.524 47 2HB LEU 9 2HB LEU 9 -3.341 3.697 -7.727 48 HG LEU 9 HG LEU 9 -3.997 5.679 -6.448 49 1HD1 LEU 9 1HD1 LEU 9 -2.117 6.197 -4.564 50 2HD1 LEU 9 2HD1 LEU 9 -3.717 5.495 -4.224 51 3HD1 LEU 9 3HD1 LEU 9 -2.295 4.435 -4.378 52 1HD2 LEU 9 1HD2 LEU 9 -1.001 5.812 -6.637 53 2HD2 LEU 9 2HD2 LEU 9 -1.990 5.571 -8.097 54 3HD2 LEU 9 3HD2 LEU 9 -2.225 7.021 -7.092 55 H SER 10 H SER 10 -5.943 2.898 -7.784 56 HA SER 10 HA SER 10 -7.500 4.985 -6.838 57 1HB SER 10 1HB SER 10 -7.486 4.184 -9.193 58 2HB SER 10 2HB SER 10 -8.251 2.687 -8.699 59 HG SER 10 HG SER 10 -9.486 5.210 -8.081 60 H LEU 11 H LEU 11 -7.837 1.386 -6.583 61 HA LEU 11 HA LEU 11 -10.290 1.399 -5.263 62 1HB LEU 11 1HB LEU 11 -8.017 -0.589 -5.244 63 2HB LEU 11 2HB LEU 11 -9.593 -0.890 -4.538 64 HG LEU 11 HG LEU 11 -9.467 -0.053 -7.410 65 1HD1 LEU 11 1HD1 LEU 11 -7.742 -1.965 -6.759 66 2HD1 LEU 11 2HD1 LEU 11 -9.211 -2.968 -6.834 67 3HD1 LEU 11 3HD1 LEU 11 -8.703 -2.025 -8.256 68 1HD2 LEU 11 1HD2 LEU 11 -11.547 -0.594 -5.830 69 2HD2 LEU 11 2HD2 LEU 11 -11.541 -0.964 -7.571 70 3HD2 LEU 11 3HD2 LEU 11 -11.199 -2.248 -6.387 71 H THR 12 H THR 12 -6.896 1.340 -3.991 72 HA THR 12 HA THR 12 -7.552 1.245 -1.298 73 HB THR 12 HB THR 12 -5.211 2.410 -1.155 74 HG1 THR 12 HG1 THR 12 -4.847 3.350 -3.136 75 1HG2 THR 12 1HG2 THR 12 -5.948 -0.237 -2.203 76 2HG2 THR 12 2HG2 THR 12 -4.425 0.341 -2.922 77 3HG2 THR 12 3HG2 THR 12 -4.581 0.209 -1.154 78 H LEU 13 H LEU 13 -7.008 4.149 -3.397 79 HA LEU 13 HA LEU 13 -7.513 5.984 -1.353 80 1HB LEU 13 1HB LEU 13 -7.737 6.194 -4.356 81 2HB LEU 13 2HB LEU 13 -7.903 7.557 -3.267 82 HG LEU 13 HG LEU 13 -5.424 5.842 -3.223 83 1HD1 LEU 13 1HD1 LEU 13 -5.798 6.543 -5.560 84 2HD1 LEU 13 2HD1 LEU 13 -5.864 8.240 -5.024 85 3HD1 LEU 13 3HD1 LEU 13 -4.361 7.305 -4.835 86 1HD2 LEU 13 1HD2 LEU 13 -6.147 8.616 -2.294 87 2HD2 LEU 13 2HD2 LEU 13 -5.475 7.256 -1.363 88 3HD2 LEU 13 3HD2 LEU 13 -4.455 8.120 -2.539 89 H ASP 14 H ASP 14 -9.654 4.343 -3.740 90 HA ASP 14 HA ASP 14 -11.913 5.801 -3.237 91 1HB ASP 14 1HB ASP 14 -11.363 2.966 -4.130 92 2HB ASP 14 2HB ASP 14 -13.019 3.413 -3.771 93 H HIS 15 H HIS 15 -10.141 3.560 -1.239 94 HA HIS 15 HA HIS 15 -12.394 3.478 0.630 95 1HB HIS 15 1HB HIS 15 -10.603 1.281 -0.323 96 2HB HIS 15 2HB HIS 15 -11.101 1.261 1.357 97 HD1 HIS 15 HD1 HIS 15 -13.998 1.953 1.362 98 HD2 HIS 15 HD2 HIS 15 -12.287 -0.354 -1.696 99 HE1 HIS 15 HE1 HIS 15 -15.911 0.639 0.302 100 H TRP 16 H TRP 16 -10.349 5.530 0.389 101 HA TRP 16 HA TRP 16 -8.124 5.228 1.921 102 1HB TRP 16 1HB TRP 16 -8.716 7.229 0.629 103 2HB TRP 16 2HB TRP 16 -9.957 7.630 1.799 104 HD1 TRP 16 HD1 TRP 16 -9.081 9.580 3.288 105 HE1 TRP 16 HE1 TRP 16 -6.844 10.324 4.472 106 HE3 TRP 16 HE3 TRP 16 -6.262 5.722 1.550 107 HZ2 TRP 16 HZ2 TRP 16 -4.205 9.240 4.547 108 HZ3 TRP 16 HZ3 TRP 16 -3.864 5.639 2.226 109 HH2 TRP 16 HH2 TRP 16 -2.829 7.317 3.672 110 H SER 17 H SER 17 -11.555 5.616 2.910 111 HA SER 17 HA SER 17 -11.188 6.149 5.553 112 1HB SER 17 1HB SER 17 -13.326 4.687 3.995 113 2HB SER 17 2HB SER 17 -13.428 4.726 5.743 114 HG SER 17 HG SER 17 -13.436 6.953 3.908 115 H GLU 18 H GLU 18 -11.252 2.968 3.831 116 HA GLU 18 HA GLU 18 -11.039 1.449 6.164 117 1HB GLU 18 1HB GLU 18 -11.857 0.339 4.226 118 2HB GLU 18 2HB GLU 18 -10.536 0.908 3.224 119 1HG GLU 18 1HG GLU 18 -10.198 -1.468 3.764 120 2HG GLU 18 2HG GLU 18 -8.934 -0.510 4.510 121 H ILE 19 H ILE 19 -8.611 2.664 3.768 122 HA ILE 19 HA ILE 19 -6.401 1.412 4.914 123 HB ILE 19 HB ILE 19 -6.386 4.053 3.466 124 1HG1 ILE 19 1HG1 ILE 19 -7.788 2.786 2.083 125 2HG1 ILE 19 2HG1 ILE 19 -6.194 2.595 1.381 126 1HG2 ILE 19 1HG2 ILE 19 -4.191 3.691 3.053 127 2HG2 ILE 19 2HG2 ILE 19 -4.312 2.745 4.556 128 3HG2 ILE 19 3HG2 ILE 19 -4.376 1.922 2.978 129 1HD1 ILE 19 1HD1 ILE 19 -7.588 0.605 3.231 130 2HD1 ILE 19 2HD1 ILE 19 -7.315 0.413 1.482 131 3HD1 ILE 19 3HD1 ILE 19 -5.933 0.417 2.604 132 H ARG 20 H ARG 20 -8.154 4.424 5.705 133 HA ARG 20 HA ARG 20 -6.153 5.381 7.414 134 1HB ARG 20 1HB ARG 20 -9.113 5.995 7.049 135 2HB ARG 20 2HB ARG 20 -8.194 6.775 8.322 136 1HG ARG 20 1HG ARG 20 -6.478 7.241 6.286 137 2HG ARG 20 2HG ARG 20 -7.941 7.077 5.336 138 1HD ARG 20 1HD ARG 20 -7.709 8.939 7.748 139 2HD ARG 20 2HD ARG 20 -7.418 9.457 6.100 140 HE ARG 20 HE ARG 20 -9.914 8.238 5.970 141 1HH1 ARG 20 1HH1 ARG 20 -8.531 10.831 7.905 142 2HH1 ARG 20 2HH1 ARG 20 -10.038 11.661 8.101 143 1HH2 ARG 20 1HH2 ARG 20 -11.903 9.332 6.229 144 2HH2 ARG 20 2HH2 ARG 20 -11.969 10.803 7.142 145 H SER 21 H SER 21 -8.926 3.169 7.736 146 HA SER 21 HA SER 21 -9.099 3.279 10.520 147 1HB SER 21 1HB SER 21 -9.807 0.824 8.889 148 2HB SER 21 2HB SER 21 -10.600 1.442 10.324 149 HG SER 21 HG SER 21 -11.922 2.490 9.020 150 H ARG 22 H ARG 22 -7.395 1.063 8.212 151 HA ARG 22 HA ARG 22 -6.450 -0.710 10.049 152 1HB ARG 22 1HB ARG 22 -4.974 0.286 7.559 153 2HB ARG 22 2HB ARG 22 -4.712 -1.252 8.358 154 1HG ARG 22 1HG ARG 22 -7.548 -0.931 7.760 155 2HG ARG 22 2HG ARG 22 -6.607 -0.660 6.307 156 1HD ARG 22 1HD ARG 22 -5.326 -2.849 6.949 157 2HD ARG 22 2HD ARG 22 -6.638 -3.139 8.073 158 HE ARG 22 HE ARG 22 -7.647 -2.490 5.428 159 1HH1 ARG 22 1HH1 ARG 22 -6.277 -5.096 7.354 160 2HH1 ARG 22 2HH1 ARG 22 -7.008 -6.351 6.409 161 1HH2 ARG 22 1HH2 ARG 22 -8.611 -4.144 4.180 162 2HH2 ARG 22 2HH2 ARG 22 -8.344 -5.805 4.591 163 H ALA 23 H ALA 23 -5.168 2.493 9.019 164 HA ALA 23 HA ALA 23 -2.702 2.286 10.352 165 1HB ALA 23 1HB ALA 23 -2.413 4.184 9.189 166 2HB ALA 23 2HB ALA 23 -4.130 4.147 8.723 167 3HB ALA 23 3HB ALA 23 -3.627 5.006 10.198 168 H HIS 24 H HIS 24 -5.996 3.297 11.334 169 HA HIS 24 HA HIS 24 -5.209 4.439 13.773 170 1HB HIS 24 1HB HIS 24 -7.549 4.202 12.293 171 2HB HIS 24 2HB HIS 24 -7.888 3.261 13.732 172 HD1 HIS 24 HD1 HIS 24 -9.520 4.942 14.778 173 HD2 HIS 24 HD2 HIS 24 -5.747 6.575 13.941 174 HE1 HIS 24 HE1 HIS 24 -9.463 7.229 15.910 175 H ASN 25 H ASN 25 -6.309 1.133 12.813 176 HA ASN 25 HA ASN 25 -6.276 0.154 15.426 177 1HB ASN 25 1HB ASN 25 -7.013 -0.795 12.874 178 2HB ASN 25 2HB ASN 25 -5.678 -1.840 13.318 179 1HD2 ASN 25 1HD2 ASN 25 -8.661 -2.178 13.100 180 2HD2 ASN 25 2HD2 ASN 25 -9.161 -2.915 14.585 181 H LEU 26 H LEU 26 -3.845 0.717 12.915 182 HA LEU 26 HA LEU 26 -1.906 -1.026 14.177 183 1HB LEU 26 1HB LEU 26 -1.866 0.717 11.717 184 2HB LEU 26 2HB LEU 26 -0.445 -0.113 12.318 185 HG LEU 26 HG LEU 26 -3.018 -1.486 11.493 186 1HD1 LEU 26 1HD1 LEU 26 -0.697 -0.561 9.938 187 2HD1 LEU 26 2HD1 LEU 26 -1.133 -2.267 9.679 188 3HD1 LEU 26 3HD1 LEU 26 -2.344 -0.990 9.414 189 1HD2 LEU 26 1HD2 LEU 26 -1.551 -3.530 11.500 190 2HD2 LEU 26 2HD2 LEU 26 -0.316 -2.557 12.334 191 3HD2 LEU 26 3HD2 LEU 26 -1.897 -2.835 13.101 192 H SER 27 H SER 27 -3.129 2.153 14.541 193 HA SER 27 HA SER 27 -2.547 3.771 15.875 194 1HB SER 27 1HB SER 27 -0.072 2.185 16.685 195 2HB SER 27 2HB SER 27 -0.795 3.516 17.566 196 HG SER 27 HG SER 27 -2.753 2.162 17.786 197 H VAL 28 H VAL 28 -1.939 4.004 13.192 198 HA VAL 28 HA VAL 28 0.503 5.598 13.308 199 HB VAL 28 HB VAL 28 1.060 4.716 11.008 200 1HG1 VAL 28 1HG1 VAL 28 1.390 3.309 13.605 201 2HG1 VAL 28 2HG1 VAL 28 1.812 2.383 12.145 202 3HG1 VAL 28 3HG1 VAL 28 2.611 3.939 12.474 203 1HG2 VAL 28 1HG2 VAL 28 0.176 2.651 10.245 204 2HG2 VAL 28 2HG2 VAL 28 -0.656 2.347 11.789 205 3HG2 VAL 28 3HG2 VAL 28 -1.231 3.639 10.709 206 H GLU 29 H GLU 29 0.533 7.340 11.727 207 HA GLU 29 HA GLU 29 -2.163 7.885 10.756 208 1HB GLU 29 1HB GLU 29 -0.461 9.421 12.444 209 2HB GLU 29 2HB GLU 29 -0.478 10.254 10.902 210 1HG GLU 29 1HG GLU 29 -2.718 10.796 11.055 211 2HG GLU 29 2HG GLU 29 -3.145 9.282 11.828 212 H ILE 30 H ILE 30 -2.448 8.503 8.589 213 HA ILE 30 HA ILE 30 -0.044 8.929 7.004 214 HB ILE 30 HB ILE 30 -0.811 7.318 5.309 215 1HG1 ILE 30 1HG1 ILE 30 -2.906 6.692 7.389 216 2HG1 ILE 30 2HG1 ILE 30 -3.129 7.092 5.697 217 1HG2 ILE 30 1HG2 ILE 30 0.354 5.586 6.223 218 2HG2 ILE 30 2HG2 ILE 30 0.795 6.871 7.373 219 3HG2 ILE 30 3HG2 ILE 30 -0.477 5.700 7.793 220 1HD1 ILE 30 1HD1 ILE 30 -3.400 4.630 6.219 221 2HD1 ILE 30 2HD1 ILE 30 -2.165 4.970 4.984 222 3HD1 ILE 30 3HD1 ILE 30 -1.674 4.585 6.651 223 H LYS 31 H LYS 31 -0.561 9.882 4.854 224 HA LYS 31 HA LYS 31 -3.123 11.313 4.999 225 1HB LYS 31 1HB LYS 31 -0.348 12.218 4.438 226 2HB LYS 31 2HB LYS 31 -1.604 12.909 3.431 227 1HG LYS 31 1HG LYS 31 -2.734 13.003 5.996 228 2HG LYS 31 2HG LYS 31 -1.043 13.353 6.298 229 1HD LYS 31 1HD LYS 31 -1.996 14.796 3.929 230 2HD LYS 31 2HD LYS 31 -3.005 15.149 5.318 231 1HE LYS 31 1HE LYS 31 -0.046 15.155 5.812 232 2HE LYS 31 2HE LYS 31 -0.657 16.448 4.799 233 1HZ LYS 31 1HZ LYS 31 -1.346 15.840 7.564 234 2HZ LYS 31 2HZ LYS 31 -0.888 17.264 6.910 235 3HZ LYS 31 3HZ LYS 31 -2.391 16.687 6.638 236 H LYS 32 H LYS 32 -3.875 12.062 2.731 237 HA LYS 32 HA LYS 32 -3.783 9.700 1.052 238 1HB LYS 32 1HB LYS 32 -5.937 10.789 1.732 239 2HB LYS 32 2HB LYS 32 -5.484 12.196 0.791 240 1HG LYS 32 1HG LYS 32 -6.049 11.190 -1.172 241 2HG LYS 32 2HG LYS 32 -5.149 9.739 -0.778 242 1HD LYS 32 1HD LYS 32 -7.136 8.683 -0.489 243 2HD LYS 32 2HD LYS 32 -7.361 9.638 0.962 244 1HE LYS 32 1HE LYS 32 -9.222 10.460 -0.072 245 2HE LYS 32 2HE LYS 32 -8.112 11.450 -0.998 246 1HZ LYS 32 1HZ LYS 32 -8.943 8.751 -1.808 247 2HZ LYS 32 2HZ LYS 32 -9.639 10.124 -2.354 248 3HZ LYS 32 3HZ LYS 32 -8.073 9.812 -2.694 249 H GLY 33 H GLY 33 -2.798 13.141 1.093 250 1HA GLY 33 1HA GLY 33 -2.166 13.477 -1.590 251 2HA GLY 33 2HA GLY 33 -1.411 14.300 -0.240 252 HA PRO 34 HA PRO 34 2.097 11.713 -0.513 253 1HB PRO 34 1HB PRO 34 2.521 10.484 1.890 254 2HB PRO 34 2HB PRO 34 2.912 12.166 1.592 255 1HG PRO 34 1HG PRO 34 0.651 11.032 3.123 256 2HG PRO 34 2HG PRO 34 1.297 12.660 3.164 257 1HD PRO 34 1HD PRO 34 -1.101 11.798 1.848 258 2HD PRO 34 2HD PRO 34 -0.394 13.400 1.793 259 H TRP 35 H TRP 35 -0.436 9.798 0.988 260 HA TRP 35 HA TRP 35 0.528 7.304 0.445 261 1HB TRP 35 1HB TRP 35 -1.419 7.577 1.762 262 2HB TRP 35 2HB TRP 35 -2.281 8.394 0.473 263 HD1 TRP 35 HD1 TRP 35 -3.245 6.793 -1.548 264 HE1 TRP 35 HE1 TRP 35 -3.866 4.233 -1.711 265 HE3 TRP 35 HE3 TRP 35 -0.686 5.368 2.608 266 HZ2 TRP 35 HZ2 TRP 35 -3.232 1.951 -0.119 267 HZ3 TRP 35 HZ3 TRP 35 -0.739 2.956 3.235 268 HH2 TRP 35 HH2 TRP 35 -1.955 1.272 1.947 269 H ARG 36 H ARG 36 -1.084 9.687 -1.717 270 HA ARG 36 HA ARG 36 -1.197 7.855 -3.864 271 1HB ARG 36 1HB ARG 36 -2.764 9.819 -3.566 272 2HB ARG 36 2HB ARG 36 -1.429 10.908 -3.885 273 1HG ARG 36 1HG ARG 36 -1.230 10.207 -6.157 274 2HG ARG 36 2HG ARG 36 -2.115 8.721 -5.876 275 1HD ARG 36 1HD ARG 36 -3.998 9.782 -6.575 276 2HD ARG 36 2HD ARG 36 -3.925 10.769 -5.128 277 HE ARG 36 HE ARG 36 -2.154 11.731 -7.250 278 1HH1 ARG 36 1HH1 ARG 36 -5.436 11.826 -5.984 279 2HH1 ARG 36 2HH1 ARG 36 -5.816 13.343 -6.729 280 1HH2 ARG 36 1HH2 ARG 36 -2.655 13.733 -8.234 281 2HH2 ARG 36 2HH2 ARG 36 -4.223 14.435 -8.017 282 H THR 37 H THR 37 0.827 10.743 -2.999 283 HA THR 37 HA THR 37 2.420 10.777 -5.271 284 HB THR 37 HB THR 37 2.808 11.619 -2.362 285 HG1 THR 37 HG1 THR 37 1.843 13.395 -3.279 286 1HG2 THR 37 1HG2 THR 37 4.905 11.290 -4.268 287 2HG2 THR 37 2HG2 THR 37 4.479 13.017 -4.312 288 3HG2 THR 37 3HG2 THR 37 4.963 12.259 -2.777 289 H PHE 38 H PHE 38 2.843 8.944 -2.188 290 HA PHE 38 HA PHE 38 5.323 7.888 -2.788 291 1HB PHE 38 1HB PHE 38 2.849 6.942 -1.245 292 2HB PHE 38 2HB PHE 38 4.313 5.978 -1.246 293 HD1 PHE 38 HD1 PHE 38 6.374 8.123 -1.101 294 HD2 PHE 38 HD2 PHE 38 2.690 7.685 0.959 295 HE1 PHE 38 HE1 PHE 38 7.275 9.490 0.801 296 HE2 PHE 38 HE2 PHE 38 3.591 9.052 2.861 297 HZ PHE 38 HZ PHE 38 5.873 9.938 2.760 298 H CYS 39 H CYS 39 2.026 6.831 -3.752 299 HA CYS 39 HA CYS 39 3.173 4.520 -5.076 300 1HB CYS 39 1HB CYS 39 1.142 4.159 -3.767 301 2HB CYS 39 2HB CYS 39 0.286 5.377 -4.691 302 HG CYS 39 HG CYS 39 1.426 2.410 -5.519 303 H ALA 40 H ALA 40 3.258 7.658 -5.730 304 HA ALA 40 HA ALA 40 2.068 7.589 -8.382 305 1HB ALA 40 1HB ALA 40 1.853 9.538 -6.749 306 2HB ALA 40 2HB ALA 40 3.585 9.846 -7.026 307 3HB ALA 40 3HB ALA 40 2.434 9.956 -8.379 308 H SER 41 H SER 41 5.279 8.537 -6.948 309 HA SER 41 HA SER 41 6.559 6.987 -8.993 310 1HB SER 41 1HB SER 41 6.140 9.758 -9.409 311 2HB SER 41 2HB SER 41 7.816 9.628 -8.914 312 HG SER 41 HG SER 41 8.329 8.611 -10.750 313 H GLU 42 H GLU 42 6.335 6.709 -6.135 314 HA GLU 42 HA GLU 42 9.049 7.431 -5.340 315 1HB GLU 42 1HB GLU 42 6.977 8.413 -4.069 316 2HB GLU 42 2HB GLU 42 6.818 6.809 -3.381 317 1HG GLU 42 1HG GLU 42 8.214 7.786 -1.794 318 2HG GLU 42 2HG GLU 42 9.417 7.091 -2.862 319 H TRP 43 H TRP 43 6.408 4.969 -4.953 320 HA TRP 43 HA TRP 43 8.216 3.017 -3.921 321 1HB TRP 43 1HB TRP 43 5.335 3.002 -4.784 322 2HB TRP 43 2HB TRP 43 6.173 1.514 -4.393 323 HD1 TRP 43 HD1 TRP 43 7.834 3.250 -1.916 324 HE1 TRP 43 HE1 TRP 43 6.629 3.510 0.418 325 HE3 TRP 43 HE3 TRP 43 3.150 2.262 -3.632 326 HZ2 TRP 43 HZ2 TRP 43 3.914 3.278 1.265 327 HZ3 TRP 43 HZ3 TRP 43 1.279 2.299 -1.986 328 HH2 TRP 43 HH2 TRP 43 1.602 2.785 0.388 329 HA PRO 44 HA PRO 44 7.788 1.616 -8.448 330 1HB PRO 44 1HB PRO 44 6.841 3.385 -10.304 331 2HB PRO 44 2HB PRO 44 5.837 2.169 -9.538 332 1HG PRO 44 1HG PRO 44 5.934 5.080 -9.032 333 2HG PRO 44 2HG PRO 44 4.680 3.933 -8.606 334 1HD PRO 44 1HD PRO 44 6.637 5.068 -6.843 335 2HD PRO 44 2HD PRO 44 5.457 3.835 -6.445 336 H THR 45 H THR 45 9.222 4.197 -7.134 337 HA THR 45 HA THR 45 11.131 4.377 -9.373 338 HB THR 45 HB THR 45 11.658 6.635 -8.213 339 HG1 THR 45 HG1 THR 45 10.617 6.428 -6.221 340 1HG2 THR 45 1HG2 THR 45 9.991 6.289 -10.229 341 2HG2 THR 45 2HG2 THR 45 8.721 6.474 -8.996 342 3HG2 THR 45 3HG2 THR 45 9.875 7.797 -9.290 343 H PHE 46 H PHE 46 10.764 2.473 -6.889 344 HA PHE 46 HA PHE 46 13.288 3.038 -5.568 345 1HB PHE 46 1HB PHE 46 10.877 1.198 -5.239 346 2HB PHE 46 2HB PHE 46 12.364 0.767 -4.418 347 HD1 PHE 46 HD1 PHE 46 10.769 0.971 -2.403 348 HD2 PHE 46 HD2 PHE 46 12.031 4.293 -4.723 349 HE1 PHE 46 HE1 PHE 46 10.174 2.515 -0.516 350 HE2 PHE 46 HE2 PHE 46 11.437 5.836 -2.835 351 HZ PHE 46 HZ PHE 46 10.515 4.929 -0.754 352 H ASP 47 H ASP 47 12.552 1.763 -8.472 353 HA ASP 47 HA ASP 47 13.406 0.282 -9.810 354 1HB ASP 47 1HB ASP 47 15.521 1.535 -8.707 355 2HB ASP 47 2HB ASP 47 15.859 -0.069 -8.087 356 H VAL 48 H VAL 48 11.669 -0.875 -7.938 357 HA VAL 48 HA VAL 48 13.046 -3.366 -7.202 358 HB VAL 48 HB VAL 48 12.400 -2.669 -5.163 359 1HG1 VAL 48 1HG1 VAL 48 10.036 -1.177 -6.351 360 2HG1 VAL 48 2HG1 VAL 48 10.606 -1.099 -4.666 361 3HG1 VAL 48 3HG1 VAL 48 11.624 -0.464 -5.980 362 1HG2 VAL 48 1HG2 VAL 48 10.132 -3.527 -4.536 363 2HG2 VAL 48 2HG2 VAL 48 9.800 -3.782 -6.266 364 3HG2 VAL 48 3HG2 VAL 48 11.112 -4.683 -5.469 365 H GLY 49 H GLY 49 10.558 -1.776 -9.073 366 1HA GLY 49 1HA GLY 49 9.781 -3.043 -10.987 367 2HA GLY 49 2HA GLY 49 9.577 -4.431 -9.936 368 H TRP 50 H TRP 50 8.776 -1.650 -8.156 369 HA TRP 50 HA TRP 50 6.041 -2.340 -8.084 370 1HB TRP 50 1HB TRP 50 7.148 -1.429 -6.156 371 2HB TRP 50 2HB TRP 50 7.575 0.034 -7.020 372 HD1 TRP 50 HD1 TRP 50 5.400 1.700 -7.665 373 HE1 TRP 50 HE1 TRP 50 3.126 2.193 -6.420 374 HE3 TRP 50 HE3 TRP 50 5.478 -2.475 -4.764 375 HZ2 TRP 50 HZ2 TRP 50 1.648 0.811 -4.407 376 HZ3 TRP 50 HZ3 TRP 50 3.581 -2.828 -3.185 377 HH2 TRP 50 HH2 TRP 50 1.711 -1.267 -2.980 378 HA PRO 51 HA PRO 51 4.883 -0.017 -11.600 379 1HB PRO 51 1HB PRO 51 2.187 -0.447 -11.479 380 2HB PRO 51 2HB PRO 51 3.306 -1.581 -12.208 381 1HG PRO 51 1HG PRO 51 1.925 -1.757 -9.601 382 2HG PRO 51 2HG PRO 51 2.691 -3.033 -10.525 383 1HD PRO 51 1HD PRO 51 3.744 -1.730 -8.197 384 2HD PRO 51 2HD PRO 51 4.558 -2.924 -9.189 385 HA PRO 52 HA PRO 52 3.601 3.820 -10.325 386 1HB PRO 52 1HB PRO 52 2.327 4.870 -12.503 387 2HB PRO 52 2HB PRO 52 4.072 4.812 -12.349 388 1HG PRO 52 1HG PRO 52 2.301 3.129 -14.014 389 2HG PRO 52 2HG PRO 52 4.030 3.379 -14.156 390 1HD PRO 52 1HD PRO 52 2.713 1.077 -13.063 391 2HD PRO 52 2HD PRO 52 4.439 1.378 -13.100 392 H GLU 53 H GLU 53 1.057 1.921 -11.785 393 HA GLU 53 HA GLU 53 -0.964 3.473 -10.576 394 1HB GLU 53 1HB GLU 53 -0.946 0.740 -11.912 395 2HB GLU 53 2HB GLU 53 -2.410 1.448 -11.260 396 1HG GLU 53 1HG GLU 53 -2.361 2.053 -13.588 397 2HG GLU 53 2HG GLU 53 -1.956 3.510 -12.703 398 H GLY 54 H GLY 54 0.971 0.631 -9.668 399 1HA GLY 54 1HA GLY 54 1.231 0.357 -7.253 400 2HA GLY 54 2HA GLY 54 -0.507 0.525 -7.106 401 H THR 55 H THR 55 0.587 -1.726 -6.007 402 HA THR 55 HA THR 55 -0.691 -3.787 -7.512 403 HB THR 55 HB THR 55 1.600 -3.530 -8.637 404 HG1 THR 55 HG1 THR 55 0.353 -5.556 -8.535 405 1HG2 THR 55 1HG2 THR 55 3.456 -4.718 -7.329 406 2HG2 THR 55 2HG2 THR 55 3.072 -3.084 -6.737 407 3HG2 THR 55 3HG2 THR 55 2.460 -4.513 -5.869 408 H PHE 56 H PHE 56 -1.112 -5.653 -6.268 409 HA PHE 56 HA PHE 56 -0.630 -5.175 -3.422 410 1HB PHE 56 1HB PHE 56 -2.662 -6.710 -5.126 411 2HB PHE 56 2HB PHE 56 -2.531 -7.037 -3.410 412 HD1 PHE 56 HD1 PHE 56 -2.647 -4.874 -1.874 413 HD2 PHE 56 HD2 PHE 56 -4.184 -5.120 -5.822 414 HE1 PHE 56 HE1 PHE 56 -4.196 -2.958 -1.391 415 HE2 PHE 56 HE2 PHE 56 -5.733 -3.205 -5.338 416 HZ PHE 56 HZ PHE 56 -5.720 -2.147 -3.128 417 H ASP 57 H ASP 57 1.501 -6.247 -5.085 418 HA ASP 57 HA ASP 57 1.432 -9.072 -4.543 419 1HB ASP 57 1HB ASP 57 2.357 -7.989 -6.694 420 2HB ASP 57 2HB ASP 57 3.704 -7.418 -5.730 421 H LEU 58 H LEU 58 2.035 -9.660 -2.448 422 HA LEU 58 HA LEU 58 3.245 -8.047 -0.610 423 1HB LEU 58 1HB LEU 58 2.159 -10.507 -0.606 424 2HB LEU 58 2HB LEU 58 3.851 -10.947 -0.483 425 HG LEU 58 HG LEU 58 3.851 -9.142 1.458 426 1HD1 LEU 58 1HD1 LEU 58 1.784 -9.012 2.684 427 2HD1 LEU 58 2HD1 LEU 58 1.506 -8.448 1.018 428 3HD1 LEU 58 3HD1 LEU 58 0.969 -10.072 1.510 429 1HD2 LEU 58 1HD2 LEU 58 3.095 -12.030 1.451 430 2HD2 LEU 58 2HD2 LEU 58 4.529 -11.217 2.124 431 3HD2 LEU 58 3HD2 LEU 58 2.970 -11.124 2.978 432 H THR 59 H THR 59 4.743 -10.182 -3.082 433 HA THR 59 HA THR 59 7.367 -10.026 -2.170 434 HB THR 59 HB THR 59 6.211 -10.267 -4.998 435 HG1 THR 59 HG1 THR 59 6.499 -12.564 -4.360 436 1HG2 THR 59 1HG2 THR 59 8.694 -9.849 -4.999 437 2HG2 THR 59 2HG2 THR 59 8.895 -11.180 -3.835 438 3HG2 THR 59 3HG2 THR 59 8.303 -11.518 -5.479 439 H VAL 60 H VAL 60 5.602 -7.872 -4.483 440 HA VAL 60 HA VAL 60 7.844 -6.172 -4.804 441 HB VAL 60 HB VAL 60 4.910 -5.649 -5.318 442 1HG1 VAL 60 1HG1 VAL 60 5.490 -3.780 -6.474 443 2HG1 VAL 60 2HG1 VAL 60 6.886 -3.812 -5.370 444 3HG1 VAL 60 3HG1 VAL 60 7.041 -4.463 -7.020 445 1HG2 VAL 60 1HG2 VAL 60 5.556 -7.698 -6.440 446 2HG2 VAL 60 2HG2 VAL 60 5.405 -6.393 -7.641 447 3HG2 VAL 60 3HG2 VAL 60 7.016 -6.921 -7.098 448 H ILE 61 H ILE 61 4.972 -6.247 -2.649 449 HA ILE 61 HA ILE 61 5.304 -3.680 -1.597 450 HB ILE 61 HB ILE 61 3.915 -6.186 -0.744 451 1HG1 ILE 61 1HG1 ILE 61 2.891 -3.389 -1.307 452 2HG1 ILE 61 2HG1 ILE 61 2.990 -4.664 -2.505 453 1HG2 ILE 61 1HG2 ILE 61 4.141 -3.677 0.941 454 2HG2 ILE 61 2HG2 ILE 61 3.025 -5.031 1.235 455 3HG2 ILE 61 3HG2 ILE 61 4.783 -5.288 1.342 456 1HD1 ILE 61 1HD1 ILE 61 0.971 -5.413 -1.814 457 2HD1 ILE 61 2HD1 ILE 61 1.699 -5.824 -0.242 458 3HD1 ILE 61 3HD1 ILE 61 0.954 -4.226 -0.487 459 H PHE 62 H PHE 62 6.423 -6.916 -0.390 460 HA PHE 62 HA PHE 62 7.715 -6.020 1.857 461 1HB PHE 62 1HB PHE 62 7.811 -8.307 -0.084 462 2HB PHE 62 2HB PHE 62 9.290 -8.107 0.833 463 HD1 PHE 62 HD1 PHE 62 9.459 -9.331 2.770 464 HD2 PHE 62 HD2 PHE 62 5.606 -8.103 1.485 465 HE1 PHE 62 HE1 PHE 62 8.425 -10.551 4.705 466 HE2 PHE 62 HE2 PHE 62 4.572 -9.324 3.419 467 HZ PHE 62 HZ PHE 62 5.994 -10.533 5.006 468 H GLU 63 H GLU 63 8.875 -6.162 -1.554 469 HA GLU 63 HA GLU 63 11.516 -5.602 -1.022 470 1HB GLU 63 1HB GLU 63 9.729 -5.092 -3.422 471 2HB GLU 63 2HB GLU 63 11.415 -4.614 -3.442 472 1HG GLU 63 1HG GLU 63 10.473 -7.445 -2.790 473 2HG GLU 63 2HG GLU 63 10.952 -6.931 -4.395 474 H VAL 64 H VAL 64 8.784 -3.352 -1.847 475 HA VAL 64 HA VAL 64 10.384 -1.037 -1.542 476 HB VAL 64 HB VAL 64 7.428 -1.586 -1.727 477 1HG1 VAL 64 1HG1 VAL 64 8.005 1.188 -2.172 478 2HG1 VAL 64 2HG1 VAL 64 6.907 0.449 -0.981 479 3HG1 VAL 64 3HG1 VAL 64 8.616 0.725 -0.566 480 1HG2 VAL 64 1HG2 VAL 64 9.006 -1.822 -3.725 481 2HG2 VAL 64 2HG2 VAL 64 7.593 -0.760 -3.936 482 3HG2 VAL 64 3HG2 VAL 64 9.200 -0.054 -3.642 483 H LYS 65 H LYS 65 8.337 -3.030 0.606 484 HA LYS 65 HA LYS 65 8.160 -1.187 2.702 485 1HB LYS 65 1HB LYS 65 6.679 -3.091 2.541 486 2HB LYS 65 2HB LYS 65 8.020 -4.213 2.651 487 1HG LYS 65 1HG LYS 65 8.550 -3.032 4.935 488 2HG LYS 65 2HG LYS 65 6.928 -2.379 4.815 489 1HD LYS 65 1HD LYS 65 5.946 -4.389 5.304 490 2HD LYS 65 2HD LYS 65 7.032 -5.284 4.259 491 1HE LYS 65 1HE LYS 65 8.597 -4.313 6.471 492 2HE LYS 65 2HE LYS 65 7.131 -5.002 7.140 493 1HZ LYS 65 1HZ LYS 65 9.270 -6.301 5.749 494 2HZ LYS 65 2HZ LYS 65 8.254 -6.891 6.884 495 3HZ LYS 65 3HZ LYS 65 7.780 -6.817 5.323 496 H ALA 66 H ALA 66 10.558 -3.780 1.935 497 HA ALA 66 HA ALA 66 12.077 -3.435 4.259 498 1HB ALA 66 1HB ALA 66 13.746 -4.263 2.098 499 2HB ALA 66 2HB ALA 66 12.981 -5.276 3.346 500 3HB ALA 66 3HB ALA 66 12.132 -4.959 1.815 501 H ILE 67 H ILE 67 11.740 -1.543 1.316 502 HA ILE 67 HA ILE 67 14.271 -0.238 1.579 503 HB ILE 67 HB ILE 67 11.824 0.201 -0.117 504 1HG1 ILE 67 1HG1 ILE 67 14.643 -0.551 -0.923 505 2HG1 ILE 67 2HG1 ILE 67 13.412 -1.737 -0.535 506 1HG2 ILE 67 1HG2 ILE 67 13.607 1.791 -1.321 507 2HG2 ILE 67 2HG2 ILE 67 12.451 2.380 -0.102 508 3HG2 ILE 67 3HG2 ILE 67 14.129 2.016 0.366 509 1HD1 ILE 67 1HD1 ILE 67 12.674 0.425 -2.495 510 2HD1 ILE 67 2HD1 ILE 67 13.773 -0.863 -3.045 511 3HD1 ILE 67 3HD1 ILE 67 12.153 -1.276 -2.435 512 H VAL 68 H VAL 68 10.869 0.362 2.556 513 HA VAL 68 HA VAL 68 11.531 2.969 3.576 514 HB VAL 68 HB VAL 68 9.260 3.190 4.000 515 1HG1 VAL 68 1HG1 VAL 68 10.036 1.861 1.529 516 2HG1 VAL 68 2HG1 VAL 68 8.331 1.550 1.934 517 3HG1 VAL 68 3HG1 VAL 68 8.920 3.223 1.790 518 1HG2 VAL 68 1HG2 VAL 68 8.877 0.183 3.870 519 2HG2 VAL 68 2HG2 VAL 68 9.082 1.101 5.381 520 3HG2 VAL 68 3HG2 VAL 68 7.676 1.412 4.334 521 H PHE 69 H PHE 69 11.431 -0.378 4.688 522 HA PHE 69 HA PHE 69 11.648 0.532 7.455 523 1HB PHE 69 1HB PHE 69 10.982 -2.023 5.938 524 2HB PHE 69 2HB PHE 69 11.601 -2.186 7.569 525 HD1 PHE 69 HD1 PHE 69 8.812 -0.914 5.541 526 HD2 PHE 69 HD2 PHE 69 10.255 -1.608 9.471 527 HE1 PHE 69 HE1 PHE 69 6.506 -0.530 6.456 528 HE2 PHE 69 HE2 PHE 69 7.950 -1.224 10.386 529 HZ PHE 69 HZ PHE 69 6.103 -0.690 8.867 530 H GLN 70 H GLN 70 13.845 0.983 5.544 531 HA GLN 70 HA GLN 70 15.742 -1.040 5.789 532 1HB GLN 70 1HB GLN 70 15.783 1.873 5.018 533 2HB GLN 70 2HB GLN 70 17.315 1.076 5.319 534 1HG GLN 70 1HG GLN 70 16.174 -0.817 3.738 535 2HG GLN 70 2HG GLN 70 15.311 0.584 3.134 536 1HE2 GLN 70 1HE2 GLN 70 16.244 0.762 1.186 537 2HE2 GLN 70 2HE2 GLN 70 17.913 1.131 0.901 538 H ASP 71 H ASP 71 18.088 -0.185 6.791 539 HA ASP 71 HA ASP 71 17.413 0.477 9.549 540 1HB ASP 71 1HB ASP 71 18.377 -1.864 8.978 541 2HB ASP 71 2HB ASP 71 19.879 -1.043 8.602 542 H GLY 72 H GLY 72 18.156 2.177 7.071 543 1HA GLY 72 1HA GLY 72 20.397 3.615 8.326 544 2HA GLY 72 2HA GLY 72 20.486 3.177 6.632 545 HA PRO 73 HA PRO 73 18.402 7.179 6.728 546 1HB PRO 73 1HB PRO 73 19.911 8.397 4.801 547 2HB PRO 73 2HB PRO 73 20.265 8.515 6.513 548 1HG PRO 73 1HG PRO 73 21.640 6.915 4.442 549 2HG PRO 73 2HG PRO 73 22.214 7.380 6.031 550 1HD PRO 73 1HD PRO 73 21.227 4.803 5.249 551 2HD PRO 73 2HD PRO 73 21.692 5.301 6.863 552 H GLY 74 H GLY 74 18.667 4.632 4.682 553 1HA GLY 74 1HA GLY 74 17.294 5.796 2.431 554 2HA GLY 74 2HA GLY 74 17.700 4.111 2.690 555 H SER 75 H SER 75 16.485 3.825 5.341 556 HA SER 75 HA SER 75 14.032 2.956 4.673 557 1HB SER 75 1HB SER 75 13.503 3.191 7.169 558 2HB SER 75 2HB SER 75 14.954 2.293 6.770 559 HG SER 75 HG SER 75 15.047 5.121 7.332 560 H HIS 76 H HIS 76 11.812 3.783 5.349 561 HA HIS 76 HA HIS 76 11.719 6.703 5.348 562 1HB HIS 76 1HB HIS 76 9.773 5.075 3.723 563 2HB HIS 76 2HB HIS 76 10.095 6.796 3.650 564 HD1 HIS 76 HD1 HIS 76 12.684 7.388 2.770 565 HD2 HIS 76 HD2 HIS 76 11.076 3.638 1.796 566 HE1 HIS 76 HE1 HIS 76 14.062 6.506 0.812 567 HA PRO 77 HA PRO 77 9.187 5.379 8.718 568 1HB PRO 77 1HB PRO 77 9.406 7.674 10.185 569 2HB PRO 77 2HB PRO 77 10.533 6.339 10.320 570 1HG PRO 77 1HG PRO 77 10.904 8.951 8.985 571 2HG PRO 77 2HG PRO 77 12.120 7.797 9.497 572 1HD PRO 77 1HD PRO 77 11.193 8.239 6.819 573 2HD PRO 77 2HD PRO 77 12.323 7.008 7.347 574 H ASP 78 H ASP 78 8.743 7.577 6.306 575 HA ASP 78 HA ASP 78 6.272 8.561 7.382 576 1HB ASP 78 1HB ASP 78 8.122 9.582 5.607 577 2HB ASP 78 2HB ASP 78 6.921 8.962 4.493 578 H GLN 79 H GLN 79 7.552 6.387 4.789 579 HA GLN 79 HA GLN 79 4.876 5.721 3.977 580 1HB GLN 79 1HB GLN 79 7.537 4.597 2.997 581 2HB GLN 79 2HB GLN 79 5.979 4.389 2.222 582 1HG GLN 79 1HG GLN 79 5.832 6.708 1.626 583 2HG GLN 79 2HG GLN 79 7.090 7.169 2.755 584 1HE2 GLN 79 1HE2 GLN 79 8.653 7.974 1.554 585 2HE2 GLN 79 2HE2 GLN 79 9.439 7.198 0.221 586 H GLN 80 H GLN 80 7.237 4.677 6.271 587 HA GLN 80 HA GLN 80 7.040 1.988 6.274 588 1HB GLN 80 1HB GLN 80 7.601 4.091 8.276 589 2HB GLN 80 2HB GLN 80 6.998 2.609 8.990 590 1HG GLN 80 1HG GLN 80 8.760 1.290 7.929 591 2HG GLN 80 2HG GLN 80 9.275 2.655 6.959 592 1HE2 GLN 80 1HE2 GLN 80 10.936 3.758 7.650 593 2HE2 GLN 80 2HE2 GLN 80 11.525 3.867 9.275 594 HA PRO 81 HA PRO 81 2.980 2.382 8.710 595 1HB PRO 81 1HB PRO 81 1.707 4.796 8.833 596 2HB PRO 81 2HB PRO 81 2.763 4.204 10.100 597 1HG PRO 81 1HG PRO 81 3.289 6.290 8.072 598 2HG PRO 81 2HG PRO 81 4.134 5.984 9.576 599 1HD PRO 81 1HD PRO 81 5.024 5.296 6.937 600 2HD PRO 81 2HD PRO 81 5.812 4.888 8.449 601 H TYR 82 H TYR 82 3.466 4.043 5.762 602 HA TYR 82 HA TYR 82 0.766 3.695 4.873 603 1HB TYR 82 1HB TYR 82 3.504 4.405 3.673 604 2HB TYR 82 2HB TYR 82 2.081 4.305 2.655 605 HD1 TYR 82 HD1 TYR 82 1.338 6.409 2.041 606 HD2 TYR 82 HD2 TYR 82 2.749 5.812 6.036 607 HE1 TYR 82 HE1 TYR 82 0.768 8.820 2.610 608 HE2 TYR 82 HE2 TYR 82 2.174 8.225 6.591 609 HH TYR 82 HH TYR 82 1.800 10.262 5.585 610 H ILE 83 H ILE 83 3.969 2.148 4.148 611 HA ILE 83 HA ILE 83 2.878 0.291 2.338 612 HB ILE 83 HB ILE 83 5.245 1.051 2.467 613 1HG1 ILE 83 1HG1 ILE 83 6.177 -1.054 1.753 614 2HG1 ILE 83 2HG1 ILE 83 4.941 -1.960 2.603 615 1HG2 ILE 83 1HG2 ILE 83 5.215 -0.647 4.963 616 2HG2 ILE 83 2HG2 ILE 83 6.709 -0.307 4.056 617 3HG2 ILE 83 3HG2 ILE 83 5.769 1.033 4.757 618 1HD1 ILE 83 1HD1 ILE 83 3.934 0.078 0.660 619 2HD1 ILE 83 2HD1 ILE 83 4.771 -1.329 -0.039 620 3HD1 ILE 83 3HD1 ILE 83 3.341 -1.567 0.994 621 H THR 84 H THR 84 3.415 0.310 5.882 622 HA THR 84 HA THR 84 3.096 -2.341 6.464 623 HB THR 84 HB THR 84 2.306 0.258 7.837 624 HG1 THR 84 HG1 THR 84 4.136 -0.641 9.154 625 1HG2 THR 84 1HG2 THR 84 2.025 -2.608 8.875 626 2HG2 THR 84 2HG2 THR 84 2.128 -1.185 9.940 627 3HG2 THR 84 3HG2 THR 84 0.754 -1.362 8.822 628 H VAL 85 H VAL 85 0.467 0.088 5.927 629 HA VAL 85 HA VAL 85 -1.604 -1.745 6.368 630 HB VAL 85 HB VAL 85 -1.465 0.825 4.782 631 1HG1 VAL 85 1HG1 VAL 85 -3.418 -0.916 4.363 632 2HG1 VAL 85 2HG1 VAL 85 -4.034 -0.245 5.892 633 3HG1 VAL 85 3HG1 VAL 85 -3.747 0.828 4.501 634 1HG2 VAL 85 1HG2 VAL 85 -2.868 1.440 6.997 635 2HG2 VAL 85 2HG2 VAL 85 -1.833 0.152 7.658 636 3HG2 VAL 85 3HG2 VAL 85 -1.096 1.582 6.896 637 H TRP 86 H TRP 86 0.225 -0.755 3.424 638 HA TRP 86 HA TRP 86 -1.320 -2.023 1.532 639 1HB TRP 86 1HB TRP 86 1.533 -1.206 1.749 640 2HB TRP 86 2HB TRP 86 1.110 -2.320 0.465 641 HD1 TRP 86 HD1 TRP 86 0.618 1.332 1.508 642 HE1 TRP 86 HE1 TRP 86 -0.432 2.767 -0.442 643 HE3 TRP 86 HE3 TRP 86 -0.439 -2.608 -1.528 644 HZ2 TRP 86 HZ2 TRP 86 -1.562 2.107 -2.979 645 HZ3 TRP 86 HZ3 TRP 86 -1.515 -2.125 -3.725 646 HH2 TRP 86 HH2 TRP 86 -2.075 0.136 -4.465 647 H GLN 87 H GLN 87 1.352 -3.279 3.629 648 HA GLN 87 HA GLN 87 1.373 -5.819 2.520 649 1HB GLN 87 1HB GLN 87 3.234 -5.059 3.863 650 2HB GLN 87 2HB GLN 87 2.204 -4.765 5.251 651 1HG GLN 87 1HG GLN 87 1.869 -7.522 4.399 652 2HG GLN 87 2HG GLN 87 3.580 -7.184 4.564 653 1HE2 GLN 87 1HE2 GLN 87 3.776 -8.489 6.358 654 2HE2 GLN 87 2HE2 GLN 87 3.188 -8.053 7.928 655 H ASP 88 H ASP 88 -0.360 -4.457 5.395 656 HA ASP 88 HA ASP 88 -1.480 -6.813 6.237 657 1HB ASP 88 1HB ASP 88 -1.510 -4.268 7.137 658 2HB ASP 88 2HB ASP 88 -3.084 -4.261 6.368 659 H LEU 89 H LEU 89 -2.474 -4.397 3.754 660 HA LEU 89 HA LEU 89 -5.057 -5.257 3.297 661 1HB LEU 89 1HB LEU 89 -2.969 -3.849 1.690 662 2HB LEU 89 2HB LEU 89 -4.428 -4.394 0.886 663 HG LEU 89 HG LEU 89 -4.590 -2.725 3.390 664 1HD1 LEU 89 1HD1 LEU 89 -3.326 -1.875 1.011 665 2HD1 LEU 89 2HD1 LEU 89 -4.932 -1.108 1.041 666 3HD1 LEU 89 3HD1 LEU 89 -3.817 -0.893 2.412 667 1HD2 LEU 89 1HD2 LEU 89 -6.490 -3.963 1.749 668 2HD2 LEU 89 2HD2 LEU 89 -6.780 -2.753 3.022 669 3HD2 LEU 89 3HD2 LEU 89 -6.566 -2.235 1.332 670 H VAL 90 H VAL 90 -1.970 -6.322 1.713 671 HA VAL 90 HA VAL 90 -3.090 -8.172 0.008 672 HB VAL 90 HB VAL 90 -0.428 -8.205 1.444 673 1HG1 VAL 90 1HG1 VAL 90 -1.262 -9.647 -1.097 674 2HG1 VAL 90 2HG1 VAL 90 0.360 -9.646 -0.365 675 3HG1 VAL 90 3HG1 VAL 90 -1.001 -10.410 0.490 676 1HG2 VAL 90 1HG2 VAL 90 -1.391 -6.911 -1.111 677 2HG2 VAL 90 2HG2 VAL 90 -0.526 -6.177 0.260 678 3HG2 VAL 90 3HG2 VAL 90 0.328 -7.285 -0.841 679 H GLN 91 H GLN 91 -1.743 -8.718 3.342 680 HA GLN 91 HA GLN 91 -2.251 -11.343 3.554 681 1HB GLN 91 1HB GLN 91 -2.378 -9.096 5.583 682 2HB GLN 91 2HB GLN 91 -2.708 -10.744 6.077 683 1HG GLN 91 1HG GLN 91 -0.455 -11.332 4.853 684 2HG GLN 91 2HG GLN 91 -0.137 -9.610 4.923 685 1HE2 GLN 91 1HE2 GLN 91 1.684 -10.712 6.182 686 2HE2 GLN 91 2HE2 GLN 91 1.496 -10.809 7.902 687 H ASN 92 H ASN 92 -4.527 -8.823 4.876 688 HA ASN 92 HA ASN 92 -6.623 -10.783 4.724 689 1HB ASN 92 1HB ASN 92 -6.224 -8.099 6.036 690 2HB ASN 92 2HB ASN 92 -7.875 -8.534 5.642 691 1HD2 ASN 92 1HD2 ASN 92 -5.060 -9.260 7.538 692 2HD2 ASN 92 2HD2 ASN 92 -5.777 -10.381 8.646 693 H SER 93 H SER 93 -6.204 -10.563 2.182 694 HA SER 93 HA SER 93 -6.748 -8.332 0.772 695 1HB SER 93 1HB SER 93 -7.247 -9.793 -1.104 696 2HB SER 93 2HB SER 93 -5.982 -10.539 -0.148 697 HG SER 93 HG SER 93 -8.468 -11.324 0.765 698 HA PRO 94 HA PRO 94 -10.986 -7.746 1.843 699 1HB PRO 94 1HB PRO 94 -11.257 -5.242 0.783 700 2HB PRO 94 2HB PRO 94 -10.656 -5.537 2.403 701 1HG PRO 94 1HG PRO 94 -9.152 -4.755 -0.019 702 2HG PRO 94 2HG PRO 94 -8.664 -4.642 1.661 703 1HD PRO 94 1HD PRO 94 -7.803 -6.602 -0.248 704 2HD PRO 94 2HD PRO 94 -7.407 -6.556 1.459 705 HA PRO 95 HA PRO 95 -13.194 -8.679 -1.657 706 1HB PRO 95 1HB PRO 95 -15.683 -7.651 -1.188 707 2HB PRO 95 2HB PRO 95 -15.121 -9.158 -0.491 708 1HG PRO 95 1HG PRO 95 -15.442 -6.521 0.807 709 2HG PRO 95 2HG PRO 95 -15.299 -8.101 1.552 710 1HD PRO 95 1HD PRO 95 -13.253 -6.100 1.370 711 2HD PRO 95 2HD PRO 95 -13.078 -7.722 2.009 712 H TRP 96 H TRP 96 -12.947 -5.369 -0.793 713 HA TRP 96 HA TRP 96 -13.960 -4.457 -3.320 714 1HB TRP 96 1HB TRP 96 -13.324 -2.252 -2.518 715 2HB TRP 96 2HB TRP 96 -14.293 -3.118 -1.342 716 HD1 TRP 96 HD1 TRP 96 -13.114 -3.688 1.017 717 HE1 TRP 96 HE1 TRP 96 -10.893 -2.954 2.239 718 HE3 TRP 96 HE3 TRP 96 -10.899 -1.668 -3.090 719 HZ2 TRP 96 HZ2 TRP 96 -8.513 -1.640 1.371 720 HZ3 TRP 96 HZ3 TRP 96 -8.627 -0.680 -2.817 721 HH2 TRP 96 HH2 TRP 96 -7.438 -0.645 -0.682 722 H ILE 97 H ILE 97 -11.140 -6.007 -2.237 723 HA ILE 97 HA ILE 97 -9.512 -4.672 -4.283 724 HB ILE 97 HB ILE 97 -8.871 -6.011 -1.686 725 1HG1 ILE 97 1HG1 ILE 97 -7.946 -3.440 -3.000 726 2HG1 ILE 97 2HG1 ILE 97 -9.177 -3.574 -1.760 727 1HG2 ILE 97 1HG2 ILE 97 -7.383 -7.245 -2.957 728 2HG2 ILE 97 2HG2 ILE 97 -7.133 -5.935 -4.136 729 3HG2 ILE 97 3HG2 ILE 97 -6.413 -5.820 -2.512 730 1HD1 ILE 97 1HD1 ILE 97 -6.323 -3.410 -1.425 731 2HD1 ILE 97 2HD1 ILE 97 -7.577 -3.497 -0.165 732 3HD1 ILE 97 3HD1 ILE 97 -6.861 -4.992 -0.814 733 H LYS 98 H LYS 98 -9.770 -7.965 -2.758 734 HA LYS 98 HA LYS 98 -10.010 -9.051 -5.459 735 1HB LYS 98 1HB LYS 98 -7.757 -9.452 -3.573 736 2HB LYS 98 2HB LYS 98 -8.389 -10.908 -4.314 737 1HG LYS 98 1HG LYS 98 -8.055 -8.627 -6.199 738 2HG LYS 98 2HG LYS 98 -6.556 -9.202 -5.496 739 1HD LYS 98 1HD LYS 98 -7.046 -11.510 -6.240 740 2HD LYS 98 2HD LYS 98 -8.613 -11.013 -6.847 741 1HE LYS 98 1HE LYS 98 -7.350 -10.938 -8.814 742 2HE LYS 98 2HE LYS 98 -7.211 -9.274 -8.282 743 1HZ LYS 98 1HZ LYS 98 -5.071 -10.090 -8.797 744 2HZ LYS 98 2HZ LYS 98 -5.131 -9.932 -7.172 745 3HZ LYS 98 3HZ LYS 98 -5.245 -11.412 -7.853 746 H SER 99 H SER 99 -11.718 -10.405 -5.580 747 HA SER 99 HA SER 99 -12.750 -11.360 -3.035 748 1HB SER 99 1HB SER 99 -13.970 -10.311 -5.476 749 2HB SER 99 2HB SER 99 -14.640 -11.882 -5.082 750 HG SER 99 HG SER 99 -14.364 -9.846 -3.061 751 H GLY 100 H GLY 100 -13.887 -13.607 -3.196 752 1HA GLY 100 1HA GLY 100 -13.638 -15.824 -3.475 753 2HA GLY 100 2HA GLY 100 -13.401 -15.460 -5.172 754 HA PRO 101 HA PRO 101 -9.090 -15.642 -3.198 755 1HB PRO 101 1HB PRO 101 -8.827 -16.290 -0.556 756 2HB PRO 101 2HB PRO 101 -8.835 -14.638 -1.142 757 1HG PRO 101 1HG PRO 101 -10.973 -16.117 0.267 758 2HG PRO 101 2HG PRO 101 -10.790 -14.387 0.056 759 1HD PRO 101 1HD PRO 101 -12.589 -16.109 -1.367 760 2HD PRO 101 2HD PRO 101 -12.323 -14.401 -1.657 761 H SER 102 H SER 102 -9.438 -17.409 -4.724 762 HA SER 102 HA SER 102 -9.777 -19.946 -3.445 763 1HB SER 102 1HB SER 102 -9.883 -20.854 -5.669 764 2HB SER 102 2HB SER 102 -10.763 -19.339 -5.705 765 HG SER 102 HG SER 102 -8.710 -18.342 -6.507 766 H SER 103 H SER 103 -8.179 -21.707 -3.582 767 HA SER 103 HA SER 103 -6.193 -22.560 -3.391 768 1HB SER 103 1HB SER 103 -6.014 -21.725 -5.806 769 2HB SER 103 2HB SER 103 -5.131 -20.342 -5.189 770 HG SER 103 HG SER 103 -4.271 -22.972 -4.447 771 H GLY 104 H GLY 104 -4.338 -22.417 -2.002 772 1HA GLY 104 1HA GLY 104 -2.966 -21.523 -0.454 773 2HA GLY 104 2HA GLY 104 -3.231 -19.943 -1.164 Start of MODEL 12 1 1H GLY 0 1H GLY 0 -1.058 -16.122 -9.236 2 1HA GLY 0 1HA GLY 0 -1.222 -16.752 -12.053 3 2HA GLY 0 2HA GLY 0 -2.195 -17.787 -11.028 4 H SER 1 H SER 1 -2.100 -14.835 -12.728 5 HA SER 1 HA SER 1 -4.659 -14.152 -11.670 6 1HB SER 1 1HB SER 1 -2.282 -12.270 -11.362 7 2HB SER 1 2HB SER 1 -3.945 -11.725 -11.271 8 HG SER 1 HG SER 1 -2.675 -12.425 -9.210 9 H SER 2 H SER 2 -5.562 -12.166 -12.965 10 HA SER 2 HA SER 2 -4.226 -11.466 -15.329 11 1HB SER 2 1HB SER 2 -6.002 -12.511 -16.879 12 2HB SER 2 2HB SER 2 -4.773 -13.587 -16.244 13 HG SER 2 HG SER 2 -6.762 -13.587 -14.434 14 H GLY 3 H GLY 3 -5.891 -10.213 -16.842 15 1HA GLY 3 1HA GLY 3 -8.082 -9.171 -16.863 16 2HA GLY 3 2HA GLY 3 -7.959 -8.975 -15.126 17 H SER 4 H SER 4 -8.260 -6.963 -17.401 18 HA SER 4 HA SER 4 -5.961 -5.350 -16.625 19 1HB SER 4 1HB SER 4 -5.763 -6.157 -18.996 20 2HB SER 4 2HB SER 4 -7.289 -5.381 -19.372 21 HG SER 4 HG SER 4 -5.700 -3.541 -18.150 22 H SER 5 H SER 5 -7.658 -4.755 -14.910 23 HA SER 5 HA SER 5 -8.809 -2.317 -15.643 24 1HB SER 5 1HB SER 5 -10.533 -3.840 -16.632 25 2HB SER 5 2HB SER 5 -10.779 -4.572 -15.059 26 HG SER 5 HG SER 5 -11.559 -2.570 -14.243 27 H GLY 6 H GLY 6 -9.594 -1.150 -13.729 28 1HA GLY 6 1HA GLY 6 -9.691 -0.663 -11.535 29 2HA GLY 6 2HA GLY 6 -9.859 -2.374 -11.197 30 H THR 7 H THR 7 -7.961 0.255 -10.534 31 HA THR 7 HA THR 7 -5.471 -1.307 -10.460 32 HB THR 7 HB THR 7 -4.574 1.130 -10.019 33 HG1 THR 7 HG1 THR 7 -6.153 2.710 -10.578 34 1HG2 THR 7 1HG2 THR 7 -5.701 1.451 -12.668 35 2HG2 THR 7 2HG2 THR 7 -4.025 1.039 -12.233 36 3HG2 THR 7 3HG2 THR 7 -5.228 -0.253 -12.463 37 HA PRO 8 HA PRO 8 -5.534 -1.455 -6.174 38 1HB PRO 8 1HB PRO 8 -2.899 -1.241 -5.483 39 2HB PRO 8 2HB PRO 8 -3.614 -2.722 -6.088 40 1HG PRO 8 1HG PRO 8 -1.840 -0.815 -7.487 41 2HG PRO 8 2HG PRO 8 -2.214 -2.476 -7.904 42 1HD PRO 8 1HD PRO 8 -3.263 -0.114 -9.150 43 2HD PRO 8 2HD PRO 8 -3.724 -1.771 -9.489 44 H LEU 9 H LEU 9 -3.430 1.175 -7.221 45 HA LEU 9 HA LEU 9 -3.563 2.634 -4.887 46 1HB LEU 9 1HB LEU 9 -2.445 2.895 -7.402 47 2HB LEU 9 2HB LEU 9 -3.557 4.246 -7.322 48 HG LEU 9 HG LEU 9 -1.310 3.641 -5.382 49 1HD1 LEU 9 1HD1 LEU 9 -0.983 6.193 -6.443 50 2HD1 LEU 9 2HD1 LEU 9 -0.065 4.729 -6.870 51 3HD1 LEU 9 3HD1 LEU 9 -1.488 5.199 -7.830 52 1HD2 LEU 9 1HD2 LEU 9 -2.045 5.202 -3.933 53 2HD2 LEU 9 2HD2 LEU 9 -2.733 6.231 -5.212 54 3HD2 LEU 9 3HD2 LEU 9 -3.632 4.806 -4.637 55 H SER 10 H SER 10 -5.753 2.687 -7.770 56 HA SER 10 HA SER 10 -7.379 4.698 -6.776 57 1HB SER 10 1HB SER 10 -7.314 3.911 -9.154 58 2HB SER 10 2HB SER 10 -8.099 2.420 -8.674 59 HG SER 10 HG SER 10 -9.966 3.432 -8.864 60 H LEU 11 H LEU 11 -7.527 1.093 -6.543 61 HA LEU 11 HA LEU 11 -10.003 0.901 -5.318 62 1HB LEU 11 1HB LEU 11 -7.530 -0.811 -5.275 63 2HB LEU 11 2HB LEU 11 -8.966 -1.254 -4.375 64 HG LEU 11 HG LEU 11 -9.211 -0.632 -7.301 65 1HD1 LEU 11 1HD1 LEU 11 -8.732 -3.470 -6.632 66 2HD1 LEU 11 2HD1 LEU 11 -8.248 -2.520 -8.057 67 3HD1 LEU 11 3HD1 LEU 11 -7.306 -2.407 -6.551 68 1HD2 LEU 11 1HD2 LEU 11 -11.058 -1.262 -5.425 69 2HD2 LEU 11 2HD2 LEU 11 -11.229 -1.621 -7.160 70 3HD2 LEU 11 3HD2 LEU 11 -10.657 -2.883 -6.042 71 H THR 12 H THR 12 -6.703 1.329 -3.895 72 HA THR 12 HA THR 12 -7.592 1.289 -1.222 73 HB THR 12 HB THR 12 -5.272 2.521 -0.989 74 HG1 THR 12 HG1 THR 12 -4.878 3.275 -3.065 75 1HG2 THR 12 1HG2 THR 12 -4.441 0.223 -2.505 76 2HG2 THR 12 2HG2 THR 12 -4.529 0.376 -0.734 77 3HG2 THR 12 3HG2 THR 12 -5.933 -0.229 -1.646 78 H LEU 13 H LEU 13 -6.839 4.053 -3.445 79 HA LEU 13 HA LEU 13 -7.519 6.025 -1.607 80 1HB LEU 13 1HB LEU 13 -7.087 5.820 -4.523 81 2HB LEU 13 2HB LEU 13 -8.056 7.182 -3.996 82 HG LEU 13 HG LEU 13 -5.736 7.833 -4.202 83 1HD1 LEU 13 1HD1 LEU 13 -6.281 9.243 -2.571 84 2HD1 LEU 13 2HD1 LEU 13 -7.227 8.002 -1.714 85 3HD1 LEU 13 3HD1 LEU 13 -5.472 8.127 -1.445 86 1HD2 LEU 13 1HD2 LEU 13 -3.959 6.652 -3.517 87 2HD2 LEU 13 2HD2 LEU 13 -4.704 6.240 -1.954 88 3HD2 LEU 13 3HD2 LEU 13 -5.106 5.295 -3.408 89 H ASP 14 H ASP 14 -9.486 4.038 -3.838 90 HA ASP 14 HA ASP 14 -11.787 5.540 -3.703 91 1HB ASP 14 1HB ASP 14 -10.996 2.804 -4.468 92 2HB ASP 14 2HB ASP 14 -12.618 2.847 -3.807 93 H HIS 15 H HIS 15 -10.275 3.181 -1.489 94 HA HIS 15 HA HIS 15 -12.555 3.523 0.321 95 1HB HIS 15 1HB HIS 15 -10.778 1.141 -0.195 96 2HB HIS 15 2HB HIS 15 -11.654 1.309 1.314 97 HD1 HIS 15 HD1 HIS 15 -14.417 2.094 0.624 98 HD2 HIS 15 HD2 HIS 15 -12.207 -0.478 -1.845 99 HE1 HIS 15 HE1 HIS 15 -16.120 0.799 -0.765 100 H TRP 16 H TRP 16 -10.519 5.482 0.106 101 HA TRP 16 HA TRP 16 -8.298 5.212 1.645 102 1HB TRP 16 1HB TRP 16 -8.854 7.190 0.332 103 2HB TRP 16 2HB TRP 16 -10.143 7.599 1.446 104 HD1 TRP 16 HD1 TRP 16 -9.345 9.586 2.929 105 HE1 TRP 16 HE1 TRP 16 -7.162 10.380 4.180 106 HE3 TRP 16 HE3 TRP 16 -6.419 5.731 1.371 107 HZ2 TRP 16 HZ2 TRP 16 -4.515 9.330 4.374 108 HZ3 TRP 16 HZ3 TRP 16 -4.047 5.690 2.137 109 HH2 TRP 16 HH2 TRP 16 -3.086 7.407 3.587 110 H SER 17 H SER 17 -11.730 5.582 2.625 111 HA SER 17 HA SER 17 -11.374 6.175 5.257 112 1HB SER 17 1HB SER 17 -13.490 4.496 3.855 113 2HB SER 17 2HB SER 17 -13.606 4.909 5.554 114 HG SER 17 HG SER 17 -14.397 6.798 4.964 115 H GLU 18 H GLU 18 -11.216 3.009 3.555 116 HA GLU 18 HA GLU 18 -11.050 1.511 5.929 117 1HB GLU 18 1HB GLU 18 -11.818 0.357 3.994 118 2HB GLU 18 2HB GLU 18 -10.495 0.939 3.003 119 1HG GLU 18 1HG GLU 18 -10.098 -1.412 3.578 120 2HG GLU 18 2HG GLU 18 -8.884 -0.417 4.357 121 H ILE 19 H ILE 19 -8.646 2.832 3.578 122 HA ILE 19 HA ILE 19 -6.404 1.633 4.733 123 HB ILE 19 HB ILE 19 -6.451 4.280 3.299 124 1HG1 ILE 19 1HG1 ILE 19 -7.814 2.995 1.897 125 2HG1 ILE 19 2HG1 ILE 19 -6.212 2.841 1.204 126 1HG2 ILE 19 1HG2 ILE 19 -4.292 3.706 4.164 127 2HG2 ILE 19 2HG2 ILE 19 -4.416 2.050 3.523 128 3HG2 ILE 19 3HG2 ILE 19 -4.282 3.428 2.405 129 1HD1 ILE 19 1HD1 ILE 19 -7.636 0.810 2.979 130 2HD1 ILE 19 2HD1 ILE 19 -7.215 0.629 1.259 131 3HD1 ILE 19 3HD1 ILE 19 -5.931 0.668 2.491 132 H ARG 20 H ARG 20 -8.251 4.597 5.502 133 HA ARG 20 HA ARG 20 -6.306 5.615 7.234 134 1HB ARG 20 1HB ARG 20 -9.298 6.111 6.905 135 2HB ARG 20 2HB ARG 20 -8.364 6.958 8.122 136 1HG ARG 20 1HG ARG 20 -6.734 7.501 6.089 137 2HG ARG 20 2HG ARG 20 -8.136 7.124 5.107 138 1HD ARG 20 1HD ARG 20 -8.302 9.093 7.427 139 2HD ARG 20 2HD ARG 20 -7.809 9.604 5.825 140 HE ARG 20 HE ARG 20 -10.006 9.144 4.996 141 1HH1 ARG 20 1HH1 ARG 20 -9.687 8.325 8.403 142 2HH1 ARG 20 2HH1 ARG 20 -11.395 8.212 8.668 143 1HH2 ARG 20 1HH2 ARG 20 -12.260 8.996 5.344 144 2HH2 ARG 20 2HH2 ARG 20 -12.868 8.596 6.916 145 H SER 21 H SER 21 -8.958 3.265 7.524 146 HA SER 21 HA SER 21 -9.102 3.369 10.332 147 1HB SER 21 1HB SER 21 -10.567 2.185 8.254 148 2HB SER 21 2HB SER 21 -9.892 0.809 9.104 149 HG SER 21 HG SER 21 -10.760 2.486 11.012 150 H ARG 22 H ARG 22 -7.298 1.415 7.911 151 HA ARG 22 HA ARG 22 -6.388 -0.535 9.601 152 1HB ARG 22 1HB ARG 22 -5.009 0.747 7.189 153 2HB ARG 22 2HB ARG 22 -4.490 -0.756 7.924 154 1HG ARG 22 1HG ARG 22 -7.359 -0.405 6.983 155 2HG ARG 22 2HG ARG 22 -6.098 -0.856 5.852 156 1HD ARG 22 1HD ARG 22 -5.960 -2.994 6.670 157 2HD ARG 22 2HD ARG 22 -6.022 -2.462 8.338 158 HE ARG 22 HE ARG 22 -8.606 -2.024 7.490 159 1HH1 ARG 22 1HH1 ARG 22 -6.472 -4.817 7.317 160 2HH1 ARG 22 2HH1 ARG 22 -7.765 -5.968 7.371 161 1HH2 ARG 22 1HH2 ARG 22 -10.311 -3.543 7.561 162 2HH2 ARG 22 2HH2 ARG 22 -9.963 -5.238 7.511 163 H ALA 23 H ALA 23 -5.344 2.836 9.112 164 HA ALA 23 HA ALA 23 -2.825 2.583 10.367 165 1HB ALA 23 1HB ALA 23 -4.176 4.495 8.892 166 2HB ALA 23 2HB ALA 23 -4.168 5.204 10.524 167 3HB ALA 23 3HB ALA 23 -2.634 4.751 9.744 168 H HIS 24 H HIS 24 -6.153 3.408 11.481 169 HA HIS 24 HA HIS 24 -5.470 4.193 14.041 170 1HB HIS 24 1HB HIS 24 -7.807 3.793 12.539 171 2HB HIS 24 2HB HIS 24 -7.993 2.753 13.936 172 HD1 HIS 24 HD1 HIS 24 -9.387 3.958 15.614 173 HD2 HIS 24 HD2 HIS 24 -6.620 6.504 13.753 174 HE1 HIS 24 HE1 HIS 24 -9.660 6.241 16.720 175 H ASN 25 H ASN 25 -6.247 0.922 12.705 176 HA ASN 25 HA ASN 25 -5.997 -0.334 15.194 177 1HB ASN 25 1HB ASN 25 -6.685 -1.057 12.504 178 2HB ASN 25 2HB ASN 25 -5.357 -2.106 12.958 179 1HD2 ASN 25 1HD2 ASN 25 -8.661 -1.426 13.253 180 2HD2 ASN 25 2HD2 ASN 25 -9.103 -2.616 14.431 181 H LEU 26 H LEU 26 -3.806 0.484 12.476 182 HA LEU 26 HA LEU 26 -1.648 -1.104 13.533 183 1HB LEU 26 1HB LEU 26 -1.844 0.829 11.221 184 2HB LEU 26 2HB LEU 26 -0.389 -0.051 11.647 185 HG LEU 26 HG LEU 26 -2.988 -1.456 11.007 186 1HD1 LEU 26 1HD1 LEU 26 -0.782 -1.055 8.994 187 2HD1 LEU 26 2HD1 LEU 26 -2.461 -1.591 8.738 188 3HD1 LEU 26 3HD1 LEU 26 -2.121 0.107 9.154 189 1HD2 LEU 26 1HD2 LEU 26 -0.103 -2.327 11.209 190 2HD2 LEU 26 2HD2 LEU 26 -1.511 -2.913 12.127 191 3HD2 LEU 26 3HD2 LEU 26 -1.352 -3.302 10.398 192 H SER 27 H SER 27 -3.126 1.672 14.560 193 HA SER 27 HA SER 27 -2.553 3.375 15.779 194 1HB SER 27 1HB SER 27 -1.579 1.460 17.154 195 2HB SER 27 2HB SER 27 -0.013 1.834 16.463 196 HG SER 27 HG SER 27 -0.610 4.154 17.294 197 H VAL 28 H VAL 28 -1.992 3.814 13.117 198 HA VAL 28 HA VAL 28 0.379 5.499 13.312 199 HB VAL 28 HB VAL 28 0.989 4.771 10.979 200 1HG1 VAL 28 1HG1 VAL 28 1.318 3.140 13.462 201 2HG1 VAL 28 2HG1 VAL 28 1.886 2.444 11.926 202 3HG1 VAL 28 3HG1 VAL 28 2.531 4.004 12.488 203 1HG2 VAL 28 1HG2 VAL 28 -0.842 3.631 10.109 204 2HG2 VAL 28 2HG2 VAL 28 0.258 2.303 10.549 205 3HG2 VAL 28 3HG2 VAL 28 -1.114 2.709 11.607 206 H GLU 29 H GLU 29 0.369 7.238 11.652 207 HA GLU 29 HA GLU 29 -2.361 7.714 10.734 208 1HB GLU 29 1HB GLU 29 -0.654 9.317 12.459 209 2HB GLU 29 2HB GLU 29 -1.026 10.217 11.003 210 1HG GLU 29 1HG GLU 29 -3.409 9.999 11.353 211 2HG GLU 29 2HG GLU 29 -3.191 8.773 12.587 212 H ILE 30 H ILE 30 -2.626 8.483 8.607 213 HA ILE 30 HA ILE 30 -0.204 9.123 7.124 214 HB ILE 30 HB ILE 30 -0.803 7.602 5.316 215 1HG1 ILE 30 1HG1 ILE 30 -3.010 6.728 7.192 216 2HG1 ILE 30 2HG1 ILE 30 -3.169 7.375 5.571 217 1HG2 ILE 30 1HG2 ILE 30 0.286 5.794 6.198 218 2HG2 ILE 30 2HG2 ILE 30 0.663 7.021 7.431 219 3HG2 ILE 30 3HG2 ILE 30 -0.633 5.836 7.722 220 1HD1 ILE 30 1HD1 ILE 30 -3.357 4.797 5.873 221 2HD1 ILE 30 2HD1 ILE 30 -2.323 5.398 4.555 222 3HD1 ILE 30 3HD1 ILE 30 -1.589 4.830 6.073 223 H LYS 31 H LYS 31 -0.932 9.847 4.778 224 HA LYS 31 HA LYS 31 -3.446 11.334 5.076 225 1HB LYS 31 1HB LYS 31 -0.703 12.307 4.482 226 2HB LYS 31 2HB LYS 31 -1.985 12.979 3.494 227 1HG LYS 31 1HG LYS 31 -2.977 12.939 6.180 228 2HG LYS 31 2HG LYS 31 -1.337 13.550 6.271 229 1HD LYS 31 1HD LYS 31 -2.004 15.552 5.447 230 2HD LYS 31 2HD LYS 31 -2.597 14.783 3.988 231 1HE LYS 31 1HE LYS 31 -4.372 14.384 6.335 232 2HE LYS 31 2HE LYS 31 -4.180 16.067 5.887 233 1HZ LYS 31 1HZ LYS 31 -4.543 14.982 3.519 234 2HZ LYS 31 2HZ LYS 31 -5.408 13.925 4.414 235 3HZ LYS 31 3HZ LYS 31 -5.778 15.515 4.445 236 H LYS 32 H LYS 32 -4.272 12.097 2.842 237 HA LYS 32 HA LYS 32 -4.110 9.775 1.100 238 1HB LYS 32 1HB LYS 32 -6.332 10.327 1.612 239 2HB LYS 32 2HB LYS 32 -6.058 12.048 1.435 240 1HG LYS 32 1HG LYS 32 -6.096 11.965 -0.911 241 2HG LYS 32 2HG LYS 32 -5.570 10.294 -0.970 242 1HD LYS 32 1HD LYS 32 -7.783 9.885 -1.427 243 2HD LYS 32 2HD LYS 32 -7.950 9.950 0.316 244 1HE LYS 32 1HE LYS 32 -9.616 11.394 -0.950 245 2HE LYS 32 2HE LYS 32 -8.687 12.257 0.260 246 1HZ LYS 32 1HZ LYS 32 -8.884 12.956 -2.312 247 2HZ LYS 32 2HZ LYS 32 -7.708 13.466 -1.300 248 3HZ LYS 32 3HZ LYS 32 -7.435 12.203 -2.299 249 H GLY 33 H GLY 33 -2.679 12.857 1.494 250 1HA GLY 33 1HA GLY 33 -2.388 13.467 -1.314 251 2HA GLY 33 2HA GLY 33 -1.676 14.307 0.049 252 HA PRO 34 HA PRO 34 1.969 11.926 -0.281 253 1HB PRO 34 1HB PRO 34 2.478 10.700 2.108 254 2HB PRO 34 2HB PRO 34 2.772 12.404 1.824 255 1HG PRO 34 1HG PRO 34 0.589 11.131 3.358 256 2HG PRO 34 2HG PRO 34 1.144 12.792 3.410 257 1HD PRO 34 1HD PRO 34 -1.212 11.810 2.102 258 2HD PRO 34 2HD PRO 34 -0.595 13.450 2.058 259 H TRP 35 H TRP 35 -0.519 9.900 1.114 260 HA TRP 35 HA TRP 35 0.561 7.443 0.638 261 1HB TRP 35 1HB TRP 35 -1.479 7.666 1.828 262 2HB TRP 35 2HB TRP 35 -2.285 8.423 0.468 263 HD1 TRP 35 HD1 TRP 35 -2.769 6.695 -1.715 264 HE1 TRP 35 HE1 TRP 35 -3.368 4.127 -1.817 265 HE3 TRP 35 HE3 TRP 35 -1.088 5.579 2.953 266 HZ2 TRP 35 HZ2 TRP 35 -3.079 1.966 0.024 267 HZ3 TRP 35 HZ3 TRP 35 -1.284 3.216 3.723 268 HH2 TRP 35 HH2 TRP 35 -2.238 1.439 2.342 269 H ARG 36 H ARG 36 -1.238 9.627 -1.628 270 HA ARG 36 HA ARG 36 -1.067 7.833 -3.762 271 1HB ARG 36 1HB ARG 36 -2.562 10.019 -3.334 272 2HB ARG 36 2HB ARG 36 -1.263 10.826 -4.190 273 1HG ARG 36 1HG ARG 36 -2.103 10.110 -6.168 274 2HG ARG 36 2HG ARG 36 -1.884 8.444 -5.671 275 1HD ARG 36 1HD ARG 36 -4.175 8.356 -5.874 276 2HD ARG 36 2HD ARG 36 -4.147 9.026 -4.255 277 HE ARG 36 HE ARG 36 -4.034 11.301 -5.751 278 1HH1 ARG 36 1HH1 ARG 36 -6.102 8.466 -6.011 279 2HH1 ARG 36 2HH1 ARG 36 -7.433 9.341 -6.690 280 1HH2 ARG 36 1HH2 ARG 36 -5.789 12.457 -6.648 281 2HH2 ARG 36 2HH2 ARG 36 -7.254 11.626 -7.055 282 H THR 37 H THR 37 0.797 10.805 -2.824 283 HA THR 37 HA THR 37 2.495 10.904 -5.009 284 HB THR 37 HB THR 37 2.721 11.729 -2.078 285 HG1 THR 37 HG1 THR 37 2.518 13.818 -3.388 286 1HG2 THR 37 1HG2 THR 37 4.906 11.500 -3.919 287 2HG2 THR 37 2HG2 THR 37 4.439 13.218 -3.898 288 3HG2 THR 37 3HG2 THR 37 4.884 12.398 -2.382 289 H PHE 38 H PHE 38 2.994 9.194 -1.851 290 HA PHE 38 HA PHE 38 5.477 8.169 -2.458 291 1HB PHE 38 1HB PHE 38 3.064 7.163 -0.847 292 2HB PHE 38 2HB PHE 38 4.604 6.328 -0.794 293 HD1 PHE 38 HD1 PHE 38 6.366 8.828 -0.883 294 HD2 PHE 38 HD2 PHE 38 2.944 7.831 1.420 295 HE1 PHE 38 HE1 PHE 38 7.141 10.373 0.937 296 HE2 PHE 38 HE2 PHE 38 3.719 9.376 3.240 297 HZ PHE 38 HZ PHE 38 5.808 10.629 2.976 298 H CYS 39 H CYS 39 2.243 7.165 -3.538 299 HA CYS 39 HA CYS 39 3.429 4.779 -4.731 300 1HB CYS 39 1HB CYS 39 1.333 4.637 -3.258 301 2HB CYS 39 2HB CYS 39 0.475 5.416 -4.572 302 HG CYS 39 HG CYS 39 2.355 2.692 -4.743 303 H ALA 40 H ALA 40 3.464 7.853 -5.490 304 HA ALA 40 HA ALA 40 2.178 7.659 -8.105 305 1HB ALA 40 1HB ALA 40 1.744 9.629 -6.636 306 2HB ALA 40 2HB ALA 40 3.479 10.022 -6.691 307 3HB ALA 40 3HB ALA 40 2.505 10.079 -8.180 308 H SER 41 H SER 41 5.338 8.755 -6.666 309 HA SER 41 HA SER 41 6.685 7.326 -8.753 310 1HB SER 41 1HB SER 41 6.079 9.866 -9.412 311 2HB SER 41 2HB SER 41 7.514 10.205 -8.465 312 HG SER 41 HG SER 41 7.336 9.235 -11.014 313 H GLU 42 H GLU 42 6.459 7.009 -5.881 314 HA GLU 42 HA GLU 42 9.152 7.804 -5.085 315 1HB GLU 42 1HB GLU 42 7.006 8.671 -3.807 316 2HB GLU 42 2HB GLU 42 6.989 7.068 -3.099 317 1HG GLU 42 1HG GLU 42 8.373 8.083 -1.553 318 2HG GLU 42 2HG GLU 42 9.605 7.614 -2.708 319 H TRP 43 H TRP 43 6.594 5.251 -4.761 320 HA TRP 43 HA TRP 43 8.465 3.345 -3.742 321 1HB TRP 43 1HB TRP 43 5.578 3.286 -4.565 322 2HB TRP 43 2HB TRP 43 6.448 1.793 -4.275 323 HD1 TRP 43 HD1 TRP 43 8.047 3.771 -1.792 324 HE1 TRP 43 HE1 TRP 43 6.924 3.752 0.596 325 HE3 TRP 43 HE3 TRP 43 3.556 1.958 -3.340 326 HZ2 TRP 43 HZ2 TRP 43 4.342 2.997 1.548 327 HZ3 TRP 43 HZ3 TRP 43 1.789 1.608 -1.618 328 HH2 TRP 43 HH2 TRP 43 2.125 2.096 0.754 329 HA PRO 44 HA PRO 44 8.074 1.998 -8.288 330 1HB PRO 44 1HB PRO 44 7.081 3.770 -10.117 331 2HB PRO 44 2HB PRO 44 6.109 2.517 -9.372 332 1HG PRO 44 1HG PRO 44 6.129 5.421 -8.820 333 2HG PRO 44 2HG PRO 44 4.905 4.234 -8.414 334 1HD PRO 44 1HD PRO 44 6.831 5.393 -6.632 335 2HD PRO 44 2HD PRO 44 5.684 4.123 -6.254 336 H THR 45 H THR 45 9.440 4.592 -6.932 337 HA THR 45 HA THR 45 11.370 4.817 -9.149 338 HB THR 45 HB THR 45 11.776 7.130 -8.156 339 HG1 THR 45 HG1 THR 45 10.799 7.344 -6.184 340 1HG2 THR 45 1HG2 THR 45 8.798 6.755 -8.698 341 2HG2 THR 45 2HG2 THR 45 9.813 8.168 -9.071 342 3HG2 THR 45 3HG2 THR 45 9.994 6.669 -10.014 343 H PHE 46 H PHE 46 11.120 2.843 -6.817 344 HA PHE 46 HA PHE 46 13.560 3.575 -5.391 345 1HB PHE 46 1HB PHE 46 11.194 1.688 -5.046 346 2HB PHE 46 2HB PHE 46 12.686 1.283 -4.222 347 HD1 PHE 46 HD1 PHE 46 11.111 1.478 -2.199 348 HD2 PHE 46 HD2 PHE 46 12.282 4.803 -4.562 349 HE1 PHE 46 HE1 PHE 46 10.495 3.027 -0.323 350 HE2 PHE 46 HE2 PHE 46 11.666 6.353 -2.686 351 HZ PHE 46 HZ PHE 46 10.780 5.446 -0.589 352 H ASP 47 H ASP 47 12.676 1.988 -8.203 353 HA ASP 47 HA ASP 47 13.645 0.560 -9.512 354 1HB ASP 47 1HB ASP 47 15.878 1.497 -7.790 355 2HB ASP 47 2HB ASP 47 16.183 -0.055 -8.544 356 H VAL 48 H VAL 48 12.127 -1.128 -8.693 357 HA VAL 48 HA VAL 48 13.559 -3.343 -7.532 358 HB VAL 48 HB VAL 48 11.710 -3.651 -5.819 359 1HG1 VAL 48 1HG1 VAL 48 13.061 -2.772 -4.206 360 2HG1 VAL 48 2HG1 VAL 48 14.177 -2.623 -5.585 361 3HG1 VAL 48 3HG1 VAL 48 13.237 -1.211 -5.043 362 1HG2 VAL 48 1HG2 VAL 48 11.069 -0.914 -6.821 363 2HG2 VAL 48 2HG2 VAL 48 9.995 -2.193 -6.203 364 3HG2 VAL 48 3HG2 VAL 48 10.940 -1.199 -5.069 365 H GLY 49 H GLY 49 10.423 -1.924 -8.636 366 1HA GLY 49 1HA GLY 49 9.752 -3.123 -10.783 367 2HA GLY 49 2HA GLY 49 9.721 -4.554 -9.772 368 H TRP 50 H TRP 50 8.770 -1.196 -8.838 369 HA TRP 50 HA TRP 50 6.098 -2.262 -8.259 370 1HB TRP 50 1HB TRP 50 7.208 -1.438 -6.307 371 2HB TRP 50 2HB TRP 50 7.647 0.059 -7.106 372 HD1 TRP 50 HD1 TRP 50 5.421 1.717 -7.744 373 HE1 TRP 50 HE1 TRP 50 3.189 2.203 -6.422 374 HE3 TRP 50 HE3 TRP 50 5.629 -2.438 -4.821 375 HZ2 TRP 50 HZ2 TRP 50 1.793 0.826 -4.349 376 HZ3 TRP 50 HZ3 TRP 50 3.792 -2.792 -3.174 377 HH2 TRP 50 HH2 TRP 50 1.921 -1.242 -2.912 378 HA PRO 51 HA PRO 51 4.896 0.205 -11.673 379 1HB PRO 51 1HB PRO 51 2.243 -0.448 -11.677 380 2HB PRO 51 2HB PRO 51 3.471 -1.423 -12.460 381 1HG PRO 51 1HG PRO 51 2.041 -1.929 -9.922 382 2HG PRO 51 2HG PRO 51 2.934 -3.057 -10.923 383 1HD PRO 51 1HD PRO 51 3.815 -1.876 -8.462 384 2HD PRO 51 2HD PRO 51 4.750 -2.911 -9.521 385 HA PRO 52 HA PRO 52 3.251 3.804 -10.143 386 1HB PRO 52 1HB PRO 52 1.903 4.900 -12.252 387 2HB PRO 52 2HB PRO 52 3.645 4.986 -12.079 388 1HG PRO 52 1HG PRO 52 2.043 3.285 -13.891 389 2HG PRO 52 2HG PRO 52 3.743 3.698 -13.990 390 1HD PRO 52 1HD PRO 52 2.631 1.211 -13.093 391 2HD PRO 52 2HD PRO 52 4.323 1.666 -13.083 392 H GLU 53 H GLU 53 1.049 1.522 -11.454 393 HA GLU 53 HA GLU 53 -1.187 2.881 -10.297 394 1HB GLU 53 1HB GLU 53 -0.849 0.246 -11.776 395 2HB GLU 53 2HB GLU 53 -2.380 0.706 -11.058 396 1HG GLU 53 1HG GLU 53 -0.843 2.393 -13.090 397 2HG GLU 53 2HG GLU 53 -2.195 1.350 -13.485 398 H GLY 54 H GLY 54 1.244 0.595 -9.321 399 1HA GLY 54 1HA GLY 54 1.550 0.032 -7.071 400 2HA GLY 54 2HA GLY 54 -0.169 0.204 -6.778 401 H THR 55 H THR 55 0.643 -2.035 -5.718 402 HA THR 55 HA THR 55 -0.596 -4.066 -7.259 403 HB THR 55 HB THR 55 1.720 -3.869 -8.347 404 HG1 THR 55 HG1 THR 55 0.657 -5.888 -8.477 405 1HG2 THR 55 1HG2 THR 55 3.543 -3.831 -6.965 406 2HG2 THR 55 2HG2 THR 55 2.519 -4.128 -5.540 407 3HG2 THR 55 3HG2 THR 55 3.137 -5.499 -6.493 408 H PHE 56 H PHE 56 -1.145 -5.878 -6.015 409 HA PHE 56 HA PHE 56 -0.705 -5.418 -3.166 410 1HB PHE 56 1HB PHE 56 -2.678 -6.995 -4.908 411 2HB PHE 56 2HB PHE 56 -2.622 -7.241 -3.174 412 HD1 PHE 56 HD1 PHE 56 -4.160 -5.433 -5.742 413 HD2 PHE 56 HD2 PHE 56 -2.795 -5.010 -1.746 414 HE1 PHE 56 HE1 PHE 56 -5.718 -3.493 -5.415 415 HE2 PHE 56 HE2 PHE 56 -4.353 -3.070 -1.419 416 HZ PHE 56 HZ PHE 56 -5.797 -2.335 -3.257 417 H ASP 57 H ASP 57 1.399 -6.579 -4.922 418 HA ASP 57 HA ASP 57 1.323 -9.368 -4.231 419 1HB ASP 57 1HB ASP 57 2.166 -8.526 -6.464 420 2HB ASP 57 2HB ASP 57 3.487 -7.729 -5.632 421 H LEU 58 H LEU 58 1.904 -9.772 -2.077 422 HA LEU 58 HA LEU 58 3.225 -8.115 -0.388 423 1HB LEU 58 1HB LEU 58 2.120 -10.584 -0.246 424 2HB LEU 58 2HB LEU 58 3.815 -10.994 -0.077 425 HG LEU 58 HG LEU 58 3.796 -9.082 1.742 426 1HD1 LEU 58 1HD1 LEU 58 0.881 -9.908 1.666 427 2HD1 LEU 58 2HD1 LEU 58 1.660 -8.968 2.960 428 3HD1 LEU 58 3HD1 LEU 58 1.539 -8.292 1.318 429 1HD2 LEU 58 1HD2 LEU 58 2.859 -11.930 1.994 430 2HD2 LEU 58 2HD2 LEU 58 4.424 -11.206 2.436 431 3HD2 LEU 58 3HD2 LEU 58 2.980 -10.875 3.423 432 H THR 59 H THR 59 4.600 -10.348 -2.830 433 HA THR 59 HA THR 59 7.258 -10.225 -1.988 434 HB THR 59 HB THR 59 5.879 -10.670 -4.680 435 HG1 THR 59 HG1 THR 59 6.645 -12.877 -3.987 436 1HG2 THR 59 1HG2 THR 59 8.339 -9.923 -4.925 437 2HG2 THR 59 2HG2 THR 59 8.769 -11.348 -3.949 438 3HG2 THR 59 3HG2 THR 59 7.974 -11.558 -5.527 439 H VAL 60 H VAL 60 5.476 -8.150 -4.362 440 HA VAL 60 HA VAL 60 7.736 -6.504 -4.806 441 HB VAL 60 HB VAL 60 4.785 -6.082 -5.315 442 1HG1 VAL 60 1HG1 VAL 60 5.264 -4.012 -5.987 443 2HG1 VAL 60 2HG1 VAL 60 6.964 -4.243 -5.511 444 3HG1 VAL 60 3HG1 VAL 60 6.437 -4.659 -7.160 445 1HG2 VAL 60 1HG2 VAL 60 5.640 -6.591 -7.728 446 2HG2 VAL 60 2HG2 VAL 60 7.006 -7.366 -6.891 447 3HG2 VAL 60 3HG2 VAL 60 5.345 -7.937 -6.601 448 H ILE 61 H ILE 61 4.995 -6.514 -2.513 449 HA ILE 61 HA ILE 61 5.361 -3.875 -1.611 450 HB ILE 61 HB ILE 61 4.068 -6.310 -0.388 451 1HG1 ILE 61 1HG1 ILE 61 2.895 -3.863 -1.745 452 2HG1 ILE 61 2HG1 ILE 61 3.053 -5.451 -2.470 453 1HG2 ILE 61 1HG2 ILE 61 3.095 -4.914 1.292 454 2HG2 ILE 61 2HG2 ILE 61 4.860 -4.687 1.345 455 3HG2 ILE 61 3HG2 ILE 61 3.826 -3.453 0.585 456 1HD1 ILE 61 1HD1 ILE 61 1.765 -6.157 -0.177 457 2HD1 ILE 61 2HD1 ILE 61 1.147 -4.500 -0.372 458 3HD1 ILE 61 3HD1 ILE 61 0.908 -5.696 -1.668 459 H PHE 62 H PHE 62 6.460 -7.078 -0.300 460 HA PHE 62 HA PHE 62 7.826 -6.111 1.872 461 1HB PHE 62 1HB PHE 62 7.838 -8.479 0.025 462 2HB PHE 62 2HB PHE 62 9.337 -8.268 0.908 463 HD1 PHE 62 HD1 PHE 62 9.500 -9.538 2.811 464 HD2 PHE 62 HD2 PHE 62 5.686 -8.046 1.702 465 HE1 PHE 62 HE1 PHE 62 8.480 -10.658 4.812 466 HE2 PHE 62 HE2 PHE 62 4.666 -9.166 3.703 467 HZ PHE 62 HZ PHE 62 6.075 -10.459 5.235 468 H GLU 63 H GLU 63 8.627 -5.903 -1.554 469 HA GLU 63 HA GLU 63 11.395 -5.550 -1.152 470 1HB GLU 63 1HB GLU 63 9.519 -5.007 -3.480 471 2HB GLU 63 2HB GLU 63 11.224 -4.613 -3.568 472 1HG GLU 63 1HG GLU 63 10.298 -7.390 -2.739 473 2HG GLU 63 2HG GLU 63 10.453 -6.958 -4.430 474 H VAL 64 H VAL 64 8.639 -3.296 -1.875 475 HA VAL 64 HA VAL 64 10.256 -0.984 -1.662 476 HB VAL 64 HB VAL 64 7.303 -1.551 -1.738 477 1HG1 VAL 64 1HG1 VAL 64 6.777 0.775 -1.666 478 2HG1 VAL 64 2HG1 VAL 64 7.794 0.435 -0.245 479 3HG1 VAL 64 3HG1 VAL 64 8.496 1.235 -1.671 480 1HG2 VAL 64 1HG2 VAL 64 9.403 -0.612 -3.644 481 2HG2 VAL 64 2HG2 VAL 64 8.030 -1.716 -3.900 482 3HG2 VAL 64 3HG2 VAL 64 7.758 0.042 -3.832 483 H LYS 65 H LYS 65 8.209 -2.887 0.590 484 HA LYS 65 HA LYS 65 8.262 -1.013 2.677 485 1HB LYS 65 1HB LYS 65 6.596 -2.741 2.622 486 2HB LYS 65 2HB LYS 65 7.808 -4.006 2.612 487 1HG LYS 65 1HG LYS 65 8.620 -2.943 4.878 488 2HG LYS 65 2HG LYS 65 7.065 -2.135 4.887 489 1HD LYS 65 1HD LYS 65 5.895 -4.082 5.299 490 2HD LYS 65 2HD LYS 65 6.947 -5.057 4.293 491 1HE LYS 65 1HE LYS 65 8.530 -4.148 6.512 492 2HE LYS 65 2HE LYS 65 7.009 -4.714 7.173 493 1HZ LYS 65 1HZ LYS 65 9.041 -6.195 5.762 494 2HZ LYS 65 2HZ LYS 65 8.085 -6.659 7.003 495 3HZ LYS 65 3HZ LYS 65 7.496 -6.644 5.479 496 H ALA 66 H ALA 66 10.327 -3.895 1.927 497 HA ALA 66 HA ALA 66 11.962 -3.717 4.149 498 1HB ALA 66 1HB ALA 66 12.564 -4.645 1.312 499 2HB ALA 66 2HB ALA 66 13.565 -5.002 2.740 500 3HB ALA 66 3HB ALA 66 11.906 -5.638 2.634 501 H ILE 67 H ILE 67 11.705 -1.668 1.307 502 HA ILE 67 HA ILE 67 14.340 -0.570 1.601 503 HB ILE 67 HB ILE 67 11.951 0.079 -0.110 504 1HG1 ILE 67 1HG1 ILE 67 14.708 -0.806 -0.968 505 2HG1 ILE 67 2HG1 ILE 67 13.470 -1.959 -0.513 506 1HG2 ILE 67 1HG2 ILE 67 13.002 2.198 0.409 507 2HG2 ILE 67 2HG2 ILE 67 14.603 1.540 -0.004 508 3HG2 ILE 67 3HG2 ILE 67 13.368 1.734 -1.270 509 1HD1 ILE 67 1HD1 ILE 67 12.213 -1.573 -2.401 510 2HD1 ILE 67 2HD1 ILE 67 12.593 0.165 -2.422 511 3HD1 ILE 67 3HD1 ILE 67 13.772 -1.011 -3.051 512 H VAL 68 H VAL 68 10.940 0.438 2.323 513 HA VAL 68 HA VAL 68 11.748 2.911 3.449 514 HB VAL 68 HB VAL 68 9.513 3.270 3.803 515 1HG1 VAL 68 1HG1 VAL 68 8.697 2.949 1.736 516 2HG1 VAL 68 2HG1 VAL 68 10.219 2.088 1.406 517 3HG1 VAL 68 3HG1 VAL 68 8.767 1.177 1.885 518 1HG2 VAL 68 1HG2 VAL 68 9.409 0.362 4.496 519 2HG2 VAL 68 2HG2 VAL 68 8.746 1.771 5.359 520 3HG2 VAL 68 3HG2 VAL 68 7.917 1.141 3.915 521 H PHE 69 H PHE 69 11.262 -0.415 4.651 522 HA PHE 69 HA PHE 69 11.655 0.507 7.380 523 1HB PHE 69 1HB PHE 69 10.792 -2.004 5.896 524 2HB PHE 69 2HB PHE 69 11.438 -2.209 7.512 525 HD1 PHE 69 HD1 PHE 69 10.258 -1.227 9.451 526 HD2 PHE 69 HD2 PHE 69 8.617 -1.060 5.542 527 HE1 PHE 69 HE1 PHE 69 8.007 -0.685 10.420 528 HE2 PHE 69 HE2 PHE 69 6.366 -0.517 6.510 529 HZ PHE 69 HZ PHE 69 6.088 -0.337 8.937 530 H GLN 70 H GLN 70 13.890 0.908 5.620 531 HA GLN 70 HA GLN 70 15.647 -1.303 6.217 532 1HB GLN 70 1HB GLN 70 17.192 -0.281 4.668 533 2HB GLN 70 2HB GLN 70 15.601 -0.218 3.936 534 1HG GLN 70 1HG GLN 70 15.332 2.126 4.492 535 2HG GLN 70 2HG GLN 70 16.724 2.106 5.556 536 1HE2 GLN 70 1HE2 GLN 70 15.760 1.476 2.195 537 2HE2 GLN 70 2HE2 GLN 70 17.193 2.081 1.433 538 H ASP 71 H ASP 71 17.950 -0.688 7.018 539 HA ASP 71 HA ASP 71 17.561 1.172 9.215 540 1HB ASP 71 1HB ASP 71 18.288 -1.310 9.529 541 2HB ASP 71 2HB ASP 71 19.838 -0.822 8.872 542 H GLY 72 H GLY 72 18.449 1.495 6.169 543 1HA GLY 72 1HA GLY 72 21.085 2.731 6.612 544 2HA GLY 72 2HA GLY 72 20.405 2.243 5.072 545 HA PRO 73 HA PRO 73 19.585 6.684 5.498 546 1HB PRO 73 1HB PRO 73 20.709 7.490 3.141 547 2HB PRO 73 2HB PRO 73 21.570 7.504 4.667 548 1HG PRO 73 1HG PRO 73 21.839 5.620 2.405 549 2HG PRO 73 2HG PRO 73 22.951 5.914 3.727 550 1HD PRO 73 1HD PRO 73 21.178 3.677 3.439 551 2HD PRO 73 2HD PRO 73 22.205 4.031 4.815 552 H GLY 74 H GLY 74 18.597 4.165 3.652 553 1HA GLY 74 1HA GLY 74 16.763 5.815 2.055 554 2HA GLY 74 2HA GLY 74 17.139 4.121 1.812 555 H SER 75 H SER 75 16.526 5.450 5.065 556 HA SER 75 HA SER 75 14.319 3.637 5.290 557 1HB SER 75 1HB SER 75 14.346 4.637 7.717 558 2HB SER 75 2HB SER 75 15.645 3.573 7.216 559 HG SER 75 HG SER 75 16.019 5.900 8.257 560 H HIS 76 H HIS 76 12.130 4.251 5.741 561 HA HIS 76 HA HIS 76 11.583 7.110 5.657 562 1HB HIS 76 1HB HIS 76 9.821 5.333 4.031 563 2HB HIS 76 2HB HIS 76 10.176 7.039 3.844 564 HD1 HIS 76 HD1 HIS 76 13.084 7.255 3.344 565 HD2 HIS 76 HD2 HIS 76 10.860 4.006 1.899 566 HE1 HIS 76 HE1 HIS 76 14.419 6.284 1.398 567 HA PRO 77 HA PRO 77 9.234 5.249 8.942 568 1HB PRO 77 1HB PRO 77 9.347 7.383 10.646 569 2HB PRO 77 2HB PRO 77 10.536 6.095 10.642 570 1HG PRO 77 1HG PRO 77 10.782 8.849 9.594 571 2HG PRO 77 2HG PRO 77 12.051 7.705 9.985 572 1HD PRO 77 1HD PRO 77 11.101 8.386 7.365 573 2HD PRO 77 2HD PRO 77 12.288 7.160 7.764 574 H ASP 78 H ASP 78 8.688 7.683 6.785 575 HA ASP 78 HA ASP 78 6.176 8.428 7.947 576 1HB ASP 78 1HB ASP 78 7.688 9.177 5.419 577 2HB ASP 78 2HB ASP 78 6.018 9.664 5.630 578 H GLN 79 H GLN 79 7.562 6.508 5.230 579 HA GLN 79 HA GLN 79 4.932 5.870 4.265 580 1HB GLN 79 1HB GLN 79 7.604 4.765 3.307 581 2HB GLN 79 2HB GLN 79 6.083 4.751 2.437 582 1HG GLN 79 1HG GLN 79 6.234 6.983 1.839 583 2HG GLN 79 2HG GLN 79 7.020 7.447 3.335 584 1HE2 GLN 79 1HE2 GLN 79 8.144 8.648 1.451 585 2HE2 GLN 79 2HE2 GLN 79 9.611 7.940 0.863 586 H GLN 80 H GLN 80 7.209 4.694 6.579 587 HA GLN 80 HA GLN 80 7.037 2.006 6.381 588 1HB GLN 80 1HB GLN 80 7.519 3.967 8.544 589 2HB GLN 80 2HB GLN 80 6.909 2.432 9.130 590 1HG GLN 80 1HG GLN 80 8.730 1.203 8.157 591 2HG GLN 80 2HG GLN 80 9.194 2.542 7.126 592 1HE2 GLN 80 1HE2 GLN 80 8.795 1.627 10.533 593 2HE2 GLN 80 2HE2 GLN 80 10.125 2.536 11.168 594 HA PRO 81 HA PRO 81 2.899 2.218 8.706 595 1HB PRO 81 1HB PRO 81 1.604 4.613 8.940 596 2HB PRO 81 2HB PRO 81 2.622 3.948 10.201 597 1HG PRO 81 1HG PRO 81 3.199 6.161 8.327 598 2HG PRO 81 2HG PRO 81 3.996 5.765 9.837 599 1HD PRO 81 1HD PRO 81 4.977 5.251 7.191 600 2HD PRO 81 2HD PRO 81 5.718 4.752 8.699 601 H TYR 82 H TYR 82 3.425 4.145 5.912 602 HA TYR 82 HA TYR 82 0.782 3.862 4.904 603 1HB TYR 82 1HB TYR 82 3.584 4.542 3.847 604 2HB TYR 82 2HB TYR 82 2.217 4.493 2.751 605 HD1 TYR 82 HD1 TYR 82 2.738 5.900 6.201 606 HD2 TYR 82 HD2 TYR 82 1.524 6.621 2.163 607 HE1 TYR 82 HE1 TYR 82 2.171 8.307 6.794 608 HE2 TYR 82 HE2 TYR 82 0.960 9.024 2.769 609 HH TYR 82 HH TYR 82 2.067 10.521 5.418 610 H ILE 83 H ILE 83 3.950 2.226 4.221 611 HA ILE 83 HA ILE 83 2.811 0.469 2.321 612 HB ILE 83 HB ILE 83 5.171 1.155 2.375 613 1HG1 ILE 83 1HG1 ILE 83 6.100 -1.002 1.763 614 2HG1 ILE 83 2HG1 ILE 83 4.829 -1.846 2.625 615 1HG2 ILE 83 1HG2 ILE 83 6.589 -0.329 4.029 616 2HG2 ILE 83 2HG2 ILE 83 5.925 1.243 4.535 617 3HG2 ILE 83 3HG2 ILE 83 5.103 -0.263 5.007 618 1HD1 ILE 83 1HD1 ILE 83 4.736 -1.227 -0.054 619 2HD1 ILE 83 2HD1 ILE 83 3.298 -1.527 0.952 620 3HD1 ILE 83 3HD1 ILE 83 3.838 0.141 0.646 621 H THR 84 H THR 84 3.305 0.410 5.858 622 HA THR 84 HA THR 84 2.980 -2.273 6.357 623 HB THR 84 HB THR 84 2.136 0.255 7.854 624 HG1 THR 84 HG1 THR 84 4.233 -1.793 8.048 625 1HG2 THR 84 1HG2 THR 84 1.779 -1.037 9.823 626 2HG2 THR 84 2HG2 THR 84 0.928 -1.981 8.577 627 3HG2 THR 84 3HG2 THR 84 2.548 -2.480 9.120 628 H VAL 85 H VAL 85 0.429 0.216 5.788 629 HA VAL 85 HA VAL 85 -1.708 -1.529 6.272 630 HB VAL 85 HB VAL 85 -1.428 1.012 4.666 631 1HG1 VAL 85 1HG1 VAL 85 -3.355 0.256 3.692 632 2HG1 VAL 85 2HG1 VAL 85 -3.779 -0.786 5.071 633 3HG1 VAL 85 3HG1 VAL 85 -4.051 0.971 5.166 634 1HG2 VAL 85 1HG2 VAL 85 -1.823 2.144 6.575 635 2HG2 VAL 85 2HG2 VAL 85 -3.032 0.966 7.143 636 3HG2 VAL 85 3HG2 VAL 85 -1.296 0.643 7.375 637 H TRP 86 H TRP 86 0.150 -0.671 3.301 638 HA TRP 86 HA TRP 86 -1.435 -1.982 1.461 639 1HB TRP 86 1HB TRP 86 1.442 -1.204 1.611 640 2HB TRP 86 2HB TRP 86 0.944 -2.299 0.336 641 HD1 TRP 86 HD1 TRP 86 0.359 1.335 1.518 642 HE1 TRP 86 HE1 TRP 86 -0.626 2.820 -0.428 643 HE3 TRP 86 HE3 TRP 86 -0.354 -2.494 -1.752 644 HZ2 TRP 86 HZ2 TRP 86 -1.572 2.240 -3.057 645 HZ3 TRP 86 HZ3 TRP 86 -1.313 -1.948 -3.987 646 HH2 TRP 86 HH2 TRP 86 -1.915 0.323 -4.660 647 H GLN 87 H GLN 87 1.410 -3.185 3.381 648 HA GLN 87 HA GLN 87 1.387 -5.738 2.406 649 1HB GLN 87 1HB GLN 87 3.233 -4.914 3.744 650 2HB GLN 87 2HB GLN 87 2.195 -4.643 5.129 651 1HG GLN 87 1HG GLN 87 2.028 -7.425 4.176 652 2HG GLN 87 2HG GLN 87 3.675 -6.977 4.577 653 1HE2 GLN 87 1HE2 GLN 87 3.881 -8.131 6.411 654 2HE2 GLN 87 2HE2 GLN 87 3.003 -7.841 7.875 655 H ASP 88 H ASP 88 -0.645 -4.192 4.901 656 HA ASP 88 HA ASP 88 -1.658 -6.595 5.924 657 1HB ASP 88 1HB ASP 88 -2.016 -4.812 7.378 658 2HB ASP 88 2HB ASP 88 -2.324 -3.676 6.080 659 H LEU 89 H LEU 89 -2.571 -4.284 3.322 660 HA LEU 89 HA LEU 89 -5.145 -5.143 2.820 661 1HB LEU 89 1HB LEU 89 -3.020 -3.699 1.369 662 2HB LEU 89 2HB LEU 89 -4.233 -4.456 0.355 663 HG LEU 89 HG LEU 89 -5.242 -2.449 0.622 664 1HD1 LEU 89 1HD1 LEU 89 -6.613 -4.272 1.800 665 2HD1 LEU 89 2HD1 LEU 89 -6.129 -3.472 3.315 666 3HD1 LEU 89 3HD1 LEU 89 -7.057 -2.573 2.091 667 1HD2 LEU 89 1HD2 LEU 89 -4.548 -0.805 1.986 668 2HD2 LEU 89 2HD2 LEU 89 -4.611 -1.834 3.438 669 3HD2 LEU 89 3HD2 LEU 89 -3.208 -1.921 2.346 670 H VAL 90 H VAL 90 -1.984 -6.421 1.631 671 HA VAL 90 HA VAL 90 -3.102 -8.328 -0.087 672 HB VAL 90 HB VAL 90 -0.456 -8.285 1.379 673 1HG1 VAL 90 1HG1 VAL 90 0.325 -9.751 -0.474 674 2HG1 VAL 90 2HG1 VAL 90 -0.911 -10.518 0.552 675 3HG1 VAL 90 3HG1 VAL 90 -1.356 -9.874 -1.047 676 1HG2 VAL 90 1HG2 VAL 90 -0.508 -6.309 0.120 677 2HG2 VAL 90 2HG2 VAL 90 0.320 -7.468 -0.949 678 3HG2 VAL 90 3HG2 VAL 90 -1.394 -7.072 -1.222 679 H GLN 91 H GLN 91 -1.863 -8.591 3.318 680 HA GLN 91 HA GLN 91 -2.421 -11.239 3.645 681 1HB GLN 91 1HB GLN 91 -2.333 -8.902 5.576 682 2HB GLN 91 2HB GLN 91 -2.691 -10.518 6.152 683 1HG GLN 91 1HG GLN 91 -0.216 -9.803 4.511 684 2HG GLN 91 2HG GLN 91 -0.234 -9.904 6.260 685 1HE2 GLN 91 1HE2 GLN 91 1.498 -11.448 4.989 686 2HE2 GLN 91 2HE2 GLN 91 1.042 -13.119 5.000 687 H ASN 92 H ASN 92 -4.481 -8.494 4.871 688 HA ASN 92 HA ASN 92 -6.687 -10.328 5.004 689 1HB ASN 92 1HB ASN 92 -6.486 -7.352 5.709 690 2HB ASN 92 2HB ASN 92 -7.878 -8.361 6.046 691 1HD2 ASN 92 1HD2 ASN 92 -5.128 -7.076 7.294 692 2HD2 ASN 92 2HD2 ASN 92 -4.824 -8.146 8.622 693 H SER 93 H SER 93 -6.464 -10.440 2.460 694 HA SER 93 HA SER 93 -6.913 -8.336 0.825 695 1HB SER 93 1HB SER 93 -7.367 -9.916 -0.851 696 2HB SER 93 2HB SER 93 -6.457 -10.857 0.314 697 HG SER 93 HG SER 93 -8.175 -12.087 0.703 698 HA PRO 94 HA PRO 94 -11.023 -7.286 2.017 699 1HB PRO 94 1HB PRO 94 -11.197 -4.944 0.620 700 2HB PRO 94 2HB PRO 94 -10.506 -5.052 2.227 701 1HG PRO 94 1HG PRO 94 -9.124 -4.740 -0.368 702 2HG PRO 94 2HG PRO 94 -8.514 -4.428 1.246 703 1HD PRO 94 1HD PRO 94 -7.922 -6.699 -0.403 704 2HD PRO 94 2HD PRO 94 -7.407 -6.443 1.252 705 HA PRO 95 HA PRO 95 -13.520 -8.546 -1.172 706 1HB PRO 95 1HB PRO 95 -15.907 -7.305 -0.689 707 2HB PRO 95 2HB PRO 95 -15.381 -8.739 0.170 708 1HG PRO 95 1HG PRO 95 -15.459 -5.938 1.112 709 2HG PRO 95 2HG PRO 95 -15.351 -7.410 2.055 710 1HD PRO 95 1HD PRO 95 -13.215 -5.588 1.468 711 2HD PRO 95 2HD PRO 95 -13.085 -7.118 2.312 712 H TRP 96 H TRP 96 -13.026 -5.174 -0.790 713 HA TRP 96 HA TRP 96 -14.165 -4.548 -3.352 714 1HB TRP 96 1HB TRP 96 -13.055 -2.305 -2.850 715 2HB TRP 96 2HB TRP 96 -14.389 -2.821 -1.838 716 HD1 TRP 96 HD1 TRP 96 -13.750 -3.540 0.739 717 HE1 TRP 96 HE1 TRP 96 -11.734 -2.982 2.347 718 HE3 TRP 96 HE3 TRP 96 -10.607 -1.907 -2.909 719 HZ2 TRP 96 HZ2 TRP 96 -9.110 -1.945 1.923 720 HZ3 TRP 96 HZ3 TRP 96 -8.336 -1.139 -2.227 721 HH2 TRP 96 HH2 TRP 96 -7.571 -1.140 0.094 722 H ILE 97 H ILE 97 -11.362 -6.106 -2.237 723 HA ILE 97 HA ILE 97 -9.775 -5.119 -4.495 724 HB ILE 97 HB ILE 97 -9.150 -6.125 -1.784 725 1HG1 ILE 97 1HG1 ILE 97 -7.924 -4.100 -3.674 726 2HG1 ILE 97 2HG1 ILE 97 -8.929 -3.771 -2.277 727 1HG2 ILE 97 1HG2 ILE 97 -6.925 -6.902 -2.400 728 2HG2 ILE 97 2HG2 ILE 97 -8.179 -7.895 -3.179 729 3HG2 ILE 97 3HG2 ILE 97 -7.301 -6.668 -4.124 730 1HD1 ILE 97 1HD1 ILE 97 -6.614 -3.417 -1.631 731 2HD1 ILE 97 2HD1 ILE 97 -7.179 -4.900 -0.824 732 3HD1 ILE 97 3HD1 ILE 97 -6.142 -5.011 -2.267 733 H LYS 98 H LYS 98 -10.497 -8.210 -2.715 734 HA LYS 98 HA LYS 98 -10.738 -9.486 -5.333 735 1HB LYS 98 1HB LYS 98 -8.630 -9.953 -3.360 736 2HB LYS 98 2HB LYS 98 -9.514 -11.416 -3.744 737 1HG LYS 98 1HG LYS 98 -8.598 -9.575 -5.976 738 2HG LYS 98 2HG LYS 98 -7.465 -10.698 -5.251 739 1HD LYS 98 1HD LYS 98 -9.751 -12.275 -5.700 740 2HD LYS 98 2HD LYS 98 -9.694 -11.230 -7.106 741 1HE LYS 98 1HE LYS 98 -7.226 -11.865 -7.367 742 2HE LYS 98 2HE LYS 98 -7.458 -13.047 -6.094 743 1HZ LYS 98 1HZ LYS 98 -8.057 -13.330 -8.759 744 2HZ LYS 98 2HZ LYS 98 -8.351 -14.399 -7.560 745 3HZ LYS 98 3HZ LYS 98 -9.494 -13.313 -7.985 746 H SER 99 H SER 99 -12.439 -10.911 -5.472 747 HA SER 99 HA SER 99 -13.850 -11.339 -2.955 748 1HB SER 99 1HB SER 99 -15.895 -11.615 -4.518 749 2HB SER 99 2HB SER 99 -15.281 -9.993 -4.271 750 HG SER 99 HG SER 99 -15.710 -10.503 -6.538 751 H GLY 100 H GLY 100 -15.190 -13.427 -2.924 752 1HA GLY 100 1HA GLY 100 -13.610 -15.568 -4.182 753 2HA GLY 100 2HA GLY 100 -14.610 -15.705 -2.750 754 HA PRO 101 HA PRO 101 -17.098 -16.199 -6.769 755 1HB PRO 101 1HB PRO 101 -16.013 -18.162 -8.332 756 2HB PRO 101 2HB PRO 101 -15.787 -16.453 -8.645 757 1HG PRO 101 1HG PRO 101 -13.873 -18.397 -7.508 758 2HG PRO 101 2HG PRO 101 -13.552 -16.826 -8.216 759 1HD PRO 101 1HD PRO 101 -13.581 -17.476 -5.422 760 2HD PRO 101 2HD PRO 101 -13.376 -15.885 -6.126 761 H SER 102 H SER 102 -17.853 -16.954 -4.473 762 HA SER 102 HA SER 102 -17.929 -19.792 -4.311 763 1HB SER 102 1HB SER 102 -17.843 -18.196 -2.329 764 2HB SER 102 2HB SER 102 -19.499 -17.746 -2.684 765 HG SER 102 HG SER 102 -20.228 -19.612 -1.876 766 H SER 103 H SER 103 -19.225 -20.895 -5.749 767 HA SER 103 HA SER 103 -21.585 -19.629 -6.735 768 1HB SER 103 1HB SER 103 -19.802 -21.596 -7.675 769 2HB SER 103 2HB SER 103 -21.287 -22.479 -7.383 770 HG SER 103 HG SER 103 -20.973 -21.398 -9.568 771 H GLY 104 H GLY 104 -23.103 -19.461 -5.038 772 1HA GLY 104 1HA GLY 104 -24.328 -21.979 -4.223 773 2HA GLY 104 2HA GLY 104 -23.665 -20.981 -2.945 Start of MODEL 13 1 1H GLY 0 1H GLY 0 -1.705 8.760 -14.787 2 1HA GLY 0 1HA GLY 0 -3.311 7.252 -14.326 3 2HA GLY 0 2HA GLY 0 -3.163 7.666 -12.630 4 H SER 1 H SER 1 -5.551 7.389 -12.553 5 HA SER 1 HA SER 1 -7.597 8.117 -12.539 6 1HB SER 1 1HB SER 1 -6.227 10.839 -12.638 7 2HB SER 1 2HB SER 1 -7.935 10.630 -12.310 8 HG SER 1 HG SER 1 -6.226 10.729 -10.451 9 H SER 2 H SER 2 -8.313 7.254 -14.553 10 HA SER 2 HA SER 2 -9.173 9.176 -16.392 11 1HB SER 2 1HB SER 2 -6.592 8.656 -16.913 12 2HB SER 2 2HB SER 2 -7.268 7.253 -17.717 13 HG SER 2 HG SER 2 -8.779 9.345 -18.480 14 H GLY 3 H GLY 3 -8.061 5.702 -16.347 15 1HA GLY 3 1HA GLY 3 -10.699 4.669 -16.227 16 2HA GLY 3 2HA GLY 3 -10.118 4.647 -17.880 17 H SER 4 H SER 4 -9.220 2.726 -18.464 18 HA SER 4 HA SER 4 -8.117 0.860 -18.391 19 1HB SER 4 1HB SER 4 -6.368 2.637 -17.326 20 2HB SER 4 2HB SER 4 -6.512 1.557 -15.953 21 HG SER 4 HG SER 4 -4.925 1.196 -18.002 22 H SER 5 H SER 5 -7.756 -1.214 -17.083 23 HA SER 5 HA SER 5 -9.986 -1.915 -15.752 24 1HB SER 5 1HB SER 5 -8.639 -3.842 -14.856 25 2HB SER 5 2HB SER 5 -8.424 -3.576 -16.575 26 HG SER 5 HG SER 5 -6.358 -2.969 -16.280 27 H GLY 6 H GLY 6 -9.844 -2.887 -13.300 28 1HA GLY 6 1HA GLY 6 -9.766 -0.639 -11.595 29 2HA GLY 6 2HA GLY 6 -9.962 -2.316 -11.127 30 H THR 7 H THR 7 -8.046 0.325 -10.621 31 HA THR 7 HA THR 7 -5.551 -1.214 -10.470 32 HB THR 7 HB THR 7 -4.574 1.119 -10.191 33 HG1 THR 7 HG1 THR 7 -6.856 1.779 -9.376 34 1HG2 THR 7 1HG2 THR 7 -5.895 1.915 -12.523 35 2HG2 THR 7 2HG2 THR 7 -4.432 0.903 -12.476 36 3HG2 THR 7 3HG2 THR 7 -6.038 0.142 -12.580 37 HA PRO 8 HA PRO 8 -5.665 -1.366 -6.186 38 1HB PRO 8 1HB PRO 8 -3.031 -1.185 -5.481 39 2HB PRO 8 2HB PRO 8 -3.762 -2.659 -6.086 40 1HG PRO 8 1HG PRO 8 -1.956 -0.779 -7.480 41 2HG PRO 8 2HG PRO 8 -2.350 -2.435 -7.895 42 1HD PRO 8 1HD PRO 8 -3.360 -0.064 -9.153 43 2HD PRO 8 2HD PRO 8 -3.841 -1.715 -9.490 44 H LEU 9 H LEU 9 -3.572 1.252 -7.270 45 HA LEU 9 HA LEU 9 -3.689 2.715 -4.923 46 1HB LEU 9 1HB LEU 9 -2.089 3.146 -6.665 47 2HB LEU 9 2HB LEU 9 -3.356 3.570 -7.798 48 HG LEU 9 HG LEU 9 -3.918 5.554 -6.457 49 1HD1 LEU 9 1HD1 LEU 9 -1.564 4.774 -4.714 50 2HD1 LEU 9 2HD1 LEU 9 -2.530 6.264 -4.588 51 3HD1 LEU 9 3HD1 LEU 9 -3.280 4.685 -4.250 52 1HD2 LEU 9 1HD2 LEU 9 -2.326 6.838 -7.424 53 2HD2 LEU 9 2HD2 LEU 9 -0.983 5.854 -6.795 54 3HD2 LEU 9 3HD2 LEU 9 -1.903 5.301 -8.215 55 H SER 10 H SER 10 -5.847 2.765 -7.829 56 HA SER 10 HA SER 10 -7.467 4.795 -6.813 57 1HB SER 10 1HB SER 10 -7.217 3.741 -9.240 58 2HB SER 10 2HB SER 10 -8.509 2.683 -8.709 59 HG SER 10 HG SER 10 -8.657 5.284 -9.550 60 H LEU 11 H LEU 11 -7.268 1.310 -6.275 61 HA LEU 11 HA LEU 11 -9.923 1.033 -5.277 62 1HB LEU 11 1HB LEU 11 -7.460 -0.677 -5.351 63 2HB LEU 11 2HB LEU 11 -8.828 -1.143 -4.360 64 HG LEU 11 HG LEU 11 -9.256 -0.491 -7.262 65 1HD1 LEU 11 1HD1 LEU 11 -8.833 -3.339 -6.730 66 2HD1 LEU 11 2HD1 LEU 11 -8.265 -2.319 -8.074 67 3HD1 LEU 11 3HD1 LEU 11 -7.362 -2.354 -6.541 68 1HD2 LEU 11 1HD2 LEU 11 -11.282 -1.415 -6.987 69 2HD2 LEU 11 2HD2 LEU 11 -10.658 -2.740 -5.976 70 3HD2 LEU 11 3HD2 LEU 11 -10.979 -1.145 -5.254 71 H THR 12 H THR 12 -6.686 1.755 -3.927 72 HA THR 12 HA THR 12 -7.560 1.524 -1.215 73 HB THR 12 HB THR 12 -5.287 2.278 -0.749 74 HG1 THR 12 HG1 THR 12 -5.185 2.906 -3.603 75 1HG2 THR 12 1HG2 THR 12 -4.418 0.353 -1.615 76 2HG2 THR 12 2HG2 THR 12 -5.772 0.244 -2.765 77 3HG2 THR 12 3HG2 THR 12 -4.304 1.150 -3.202 78 H LEU 13 H LEU 13 -6.782 4.339 -3.367 79 HA LEU 13 HA LEU 13 -7.462 6.288 -1.537 80 1HB LEU 13 1HB LEU 13 -7.211 6.100 -4.489 81 2HB LEU 13 2HB LEU 13 -8.079 7.484 -3.855 82 HG LEU 13 HG LEU 13 -5.769 8.067 -4.218 83 1HD1 LEU 13 1HD1 LEU 13 -5.713 7.880 -1.260 84 2HD1 LEU 13 2HD1 LEU 13 -5.528 9.287 -2.334 85 3HD1 LEU 13 3HD1 LEU 13 -7.150 8.646 -1.979 86 1HD2 LEU 13 1HD2 LEU 13 -4.894 5.997 -2.204 87 2HD2 LEU 13 2HD2 LEU 13 -4.958 5.660 -3.951 88 3HD2 LEU 13 3HD2 LEU 13 -3.903 6.953 -3.332 89 H ASP 14 H ASP 14 -9.498 4.298 -3.709 90 HA ASP 14 HA ASP 14 -11.808 5.793 -3.396 91 1HB ASP 14 1HB ASP 14 -11.183 2.921 -4.115 92 2HB ASP 14 2HB ASP 14 -12.854 3.371 -3.839 93 H HIS 15 H HIS 15 -10.094 3.460 -1.361 94 HA HIS 15 HA HIS 15 -12.328 3.553 0.534 95 1HB HIS 15 1HB HIS 15 -10.578 1.274 -0.323 96 2HB HIS 15 2HB HIS 15 -11.165 1.313 1.327 97 HD1 HIS 15 HD1 HIS 15 -14.038 2.147 1.114 98 HD2 HIS 15 HD2 HIS 15 -12.235 -0.385 -1.703 99 HE1 HIS 15 HE1 HIS 15 -15.934 0.858 -0.006 100 H TRP 16 H TRP 16 -10.459 5.626 0.428 101 HA TRP 16 HA TRP 16 -8.142 5.301 1.871 102 1HB TRP 16 1HB TRP 16 -8.759 7.314 0.622 103 2HB TRP 16 2HB TRP 16 -10.006 7.681 1.798 104 HD1 TRP 16 HD1 TRP 16 -9.161 9.612 3.329 105 HE1 TRP 16 HE1 TRP 16 -6.931 10.375 4.516 106 HE3 TRP 16 HE3 TRP 16 -6.277 5.845 1.498 107 HZ2 TRP 16 HZ2 TRP 16 -4.272 9.342 4.555 108 HZ3 TRP 16 HZ3 TRP 16 -3.874 5.796 2.160 109 HH2 TRP 16 HH2 TRP 16 -2.864 7.463 3.633 110 H SER 17 H SER 17 -11.562 5.644 2.917 111 HA SER 17 HA SER 17 -11.163 6.140 5.560 112 1HB SER 17 1HB SER 17 -13.383 6.215 4.625 113 2HB SER 17 2HB SER 17 -13.306 4.540 4.114 114 HG SER 17 HG SER 17 -13.439 5.539 6.827 115 H GLU 18 H GLU 18 -11.196 2.989 3.789 116 HA GLU 18 HA GLU 18 -10.947 1.430 6.091 117 1HB GLU 18 1HB GLU 18 -11.750 0.322 4.158 118 2HB GLU 18 2HB GLU 18 -10.478 0.963 3.137 119 1HG GLU 18 1HG GLU 18 -9.968 -1.373 3.562 120 2HG GLU 18 2HG GLU 18 -8.796 -0.408 4.438 121 H ILE 19 H ILE 19 -8.581 2.909 3.817 122 HA ILE 19 HA ILE 19 -6.329 1.616 4.908 123 HB ILE 19 HB ILE 19 -6.458 4.243 3.428 124 1HG1 ILE 19 1HG1 ILE 19 -7.730 2.502 2.235 125 2HG1 ILE 19 2HG1 ILE 19 -6.289 2.994 1.368 126 1HG2 ILE 19 1HG2 ILE 19 -4.266 2.253 3.992 127 2HG2 ILE 19 2HG2 ILE 19 -4.191 3.359 2.600 128 3HG2 ILE 19 3HG2 ILE 19 -4.285 4.014 4.252 129 1HD1 ILE 19 1HD1 ILE 19 -5.235 0.941 2.813 130 2HD1 ILE 19 2HD1 ILE 19 -6.920 0.383 2.680 131 3HD1 ILE 19 3HD1 ILE 19 -5.975 0.718 1.210 132 H ARG 20 H ARG 20 -8.183 4.543 5.746 133 HA ARG 20 HA ARG 20 -6.208 5.569 7.446 134 1HB ARG 20 1HB ARG 20 -9.206 6.046 7.161 135 2HB ARG 20 2HB ARG 20 -8.271 6.879 8.387 136 1HG ARG 20 1HG ARG 20 -6.663 7.401 6.282 137 2HG ARG 20 2HG ARG 20 -8.151 7.156 5.389 138 1HD ARG 20 1HD ARG 20 -7.901 9.064 7.764 139 2HD ARG 20 2HD ARG 20 -7.729 9.567 6.094 140 HE ARG 20 HE ARG 20 -10.210 8.089 6.617 141 1HH1 ARG 20 1HH1 ARG 20 -8.679 11.258 6.602 142 2HH1 ARG 20 2HH1 ARG 20 -10.173 12.120 6.446 143 1HH2 ARG 20 1HH2 ARG 20 -12.181 9.227 6.412 144 2HH2 ARG 20 2HH2 ARG 20 -12.178 10.957 6.338 145 H SER 21 H SER 21 -8.728 3.111 7.728 146 HA SER 21 HA SER 21 -8.810 3.207 10.566 147 1HB SER 21 1HB SER 21 -9.722 0.801 8.996 148 2HB SER 21 2HB SER 21 -10.452 1.541 10.407 149 HG SER 21 HG SER 21 -11.781 2.423 8.969 150 H ARG 22 H ARG 22 -7.359 1.072 8.024 151 HA ARG 22 HA ARG 22 -6.365 -0.861 9.630 152 1HB ARG 22 1HB ARG 22 -4.972 0.361 7.193 153 2HB ARG 22 2HB ARG 22 -4.676 -1.243 7.833 154 1HG ARG 22 1HG ARG 22 -7.541 -0.822 7.362 155 2HG ARG 22 2HG ARG 22 -6.618 -0.514 5.904 156 1HD ARG 22 1HD ARG 22 -5.422 -2.760 6.325 157 2HD ARG 22 2HD ARG 22 -6.604 -3.064 7.582 158 HE ARG 22 HE ARG 22 -7.998 -2.312 5.197 159 1HH1 ARG 22 1HH1 ARG 22 -6.086 -4.974 6.478 160 2HH1 ARG 22 2HH1 ARG 22 -6.857 -6.171 5.491 161 1HH2 ARG 22 1HH2 ARG 22 -9.016 -3.891 3.895 162 2HH2 ARG 22 2HH2 ARG 22 -8.535 -5.550 4.012 163 H ALA 23 H ALA 23 -5.042 2.405 8.897 164 HA ALA 23 HA ALA 23 -2.560 1.963 10.196 165 1HB ALA 23 1HB ALA 23 -3.305 4.740 10.127 166 2HB ALA 23 2HB ALA 23 -2.130 3.877 9.105 167 3HB ALA 23 3HB ALA 23 -3.839 3.969 8.614 168 H HIS 24 H HIS 24 -5.812 3.069 11.176 169 HA HIS 24 HA HIS 24 -5.023 4.134 13.647 170 1HB HIS 24 1HB HIS 24 -7.377 3.914 12.142 171 2HB HIS 24 2HB HIS 24 -7.718 3.034 13.618 172 HD1 HIS 24 HD1 HIS 24 -8.497 4.426 15.545 173 HD2 HIS 24 HD2 HIS 24 -6.308 6.668 12.756 174 HE1 HIS 24 HE1 HIS 24 -8.596 6.849 16.340 175 H ASN 25 H ASN 25 -6.174 0.871 12.602 176 HA ASN 25 HA ASN 25 -6.242 -0.190 15.162 177 1HB ASN 25 1HB ASN 25 -7.022 -1.083 12.719 178 2HB ASN 25 2HB ASN 25 -5.495 -1.936 12.812 179 1HD2 ASN 25 1HD2 ASN 25 -8.557 -2.483 13.131 180 2HD2 ASN 25 2HD2 ASN 25 -8.644 -3.573 14.475 181 H LEU 26 H LEU 26 -3.677 0.310 12.726 182 HA LEU 26 HA LEU 26 -1.799 -1.377 14.117 183 1HB LEU 26 1HB LEU 26 -1.544 0.439 11.718 184 2HB LEU 26 2HB LEU 26 -0.238 -0.535 12.362 185 HG LEU 26 HG LEU 26 -2.856 -1.690 11.372 186 1HD1 LEU 26 1HD1 LEU 26 -0.846 -2.390 9.570 187 2HD1 LEU 26 2HD1 LEU 26 -2.177 -1.239 9.304 188 3HD1 LEU 26 3HD1 LEU 26 -0.596 -0.654 9.875 189 1HD2 LEU 26 1HD2 LEU 26 -1.440 -3.787 11.230 190 2HD2 LEU 26 2HD2 LEU 26 -0.221 -2.920 12.195 191 3HD2 LEU 26 3HD2 LEU 26 -1.843 -3.215 12.867 192 H SER 27 H SER 27 -2.977 1.885 14.276 193 HA SER 27 HA SER 27 -2.516 3.434 15.757 194 1HB SER 27 1HB SER 27 -1.527 1.494 17.177 195 2HB SER 27 2HB SER 27 0.042 2.023 16.600 196 HG SER 27 HG SER 27 -1.874 3.617 18.079 197 H VAL 28 H VAL 28 -1.930 3.848 13.140 198 HA VAL 28 HA VAL 28 0.506 5.441 13.306 199 HB VAL 28 HB VAL 28 0.932 4.653 10.883 200 1HG1 VAL 28 1HG1 VAL 28 1.511 2.944 13.321 201 2HG1 VAL 28 2HG1 VAL 28 2.282 2.702 11.735 202 3HG1 VAL 28 3HG1 VAL 28 2.526 4.227 12.620 203 1HG2 VAL 28 1HG2 VAL 28 0.183 2.499 10.244 204 2HG2 VAL 28 2HG2 VAL 28 -0.458 2.151 11.868 205 3HG2 VAL 28 3HG2 VAL 28 -1.264 3.353 10.831 206 H GLU 29 H GLU 29 0.540 7.196 11.686 207 HA GLU 29 HA GLU 29 -2.173 7.765 10.771 208 1HB GLU 29 1HB GLU 29 -0.799 9.192 12.679 209 2HB GLU 29 2HB GLU 29 -0.338 10.068 11.232 210 1HG GLU 29 1HG GLU 29 -3.184 9.479 11.120 211 2HG GLU 29 2HG GLU 29 -2.814 10.225 12.662 212 H ILE 30 H ILE 30 -2.427 8.582 8.652 213 HA ILE 30 HA ILE 30 -0.005 9.124 7.141 214 HB ILE 30 HB ILE 30 -0.614 7.597 5.359 215 1HG1 ILE 30 1HG1 ILE 30 -2.868 6.751 7.200 216 2HG1 ILE 30 2HG1 ILE 30 -3.014 7.498 5.621 217 1HG2 ILE 30 1HG2 ILE 30 0.805 6.972 7.471 218 2HG2 ILE 30 2HG2 ILE 30 -0.554 5.875 7.812 219 3HG2 ILE 30 3HG2 ILE 30 0.349 5.725 6.286 220 1HD1 ILE 30 1HD1 ILE 30 -1.420 4.947 5.825 221 2HD1 ILE 30 2HD1 ILE 30 -3.196 4.848 5.913 222 3HD1 ILE 30 3HD1 ILE 30 -2.413 5.556 4.479 223 H LYS 31 H LYS 31 -0.659 9.950 4.858 224 HA LYS 31 HA LYS 31 -3.137 11.497 5.170 225 1HB LYS 31 1HB LYS 31 -0.378 12.300 4.409 226 2HB LYS 31 2HB LYS 31 -1.676 13.019 3.478 227 1HG LYS 31 1HG LYS 31 -2.551 13.122 6.184 228 2HG LYS 31 2HG LYS 31 -0.859 13.574 6.230 229 1HD LYS 31 1HD LYS 31 -2.461 14.817 4.028 230 2HD LYS 31 2HD LYS 31 -2.891 15.323 5.650 231 1HE LYS 31 1HE LYS 31 -0.343 15.709 6.028 232 2HE LYS 31 2HE LYS 31 -0.175 15.549 4.291 233 1HZ LYS 31 1HZ LYS 31 -1.364 17.671 5.809 234 2HZ LYS 31 2HZ LYS 31 -0.613 17.719 4.359 235 3HZ LYS 31 3HZ LYS 31 -2.179 17.265 4.453 236 H LYS 32 H LYS 32 -4.028 12.231 2.953 237 HA LYS 32 HA LYS 32 -4.037 9.857 1.269 238 1HB LYS 32 1HB LYS 32 -6.183 10.710 2.097 239 2HB LYS 32 2HB LYS 32 -5.877 12.267 1.354 240 1HG LYS 32 1HG LYS 32 -5.682 11.065 -0.894 241 2HG LYS 32 2HG LYS 32 -6.205 9.598 -0.090 242 1HD LYS 32 1HD LYS 32 -8.085 11.557 0.717 243 2HD LYS 32 2HD LYS 32 -7.802 11.892 -0.980 244 1HE LYS 32 1HE LYS 32 -8.700 9.868 -1.683 245 2HE LYS 32 2HE LYS 32 -8.156 9.003 -0.260 246 1HZ LYS 32 1HZ LYS 32 -10.024 10.954 0.473 247 2HZ LYS 32 2HZ LYS 32 -10.654 10.030 -0.717 248 3HZ LYS 32 3HZ LYS 32 -10.113 9.334 0.658 249 H GLY 33 H GLY 33 -2.505 12.905 1.517 250 1HA GLY 33 1HA GLY 33 -2.354 13.454 -1.313 251 2HA GLY 33 2HA GLY 33 -1.539 14.294 -0.009 252 HA PRO 34 HA PRO 34 2.003 11.785 -0.492 253 1HB PRO 34 1HB PRO 34 2.591 10.554 1.876 254 2HB PRO 34 2HB PRO 34 2.927 12.246 1.566 255 1HG PRO 34 1HG PRO 34 0.783 11.055 3.216 256 2HG PRO 34 2HG PRO 34 1.395 12.697 3.230 257 1HD PRO 34 1HD PRO 34 -1.056 11.788 2.048 258 2HD PRO 34 2HD PRO 34 -0.388 13.406 1.962 259 H TRP 35 H TRP 35 -0.453 9.837 1.073 260 HA TRP 35 HA TRP 35 0.520 7.350 0.535 261 1HB TRP 35 1HB TRP 35 -1.421 7.600 1.854 262 2HB TRP 35 2HB TRP 35 -2.291 8.430 0.579 263 HD1 TRP 35 HD1 TRP 35 -3.257 6.844 -1.460 264 HE1 TRP 35 HE1 TRP 35 -3.886 4.287 -1.638 265 HE3 TRP 35 HE3 TRP 35 -0.703 5.388 2.689 266 HZ2 TRP 35 HZ2 TRP 35 -3.259 1.994 -0.058 267 HZ3 TRP 35 HZ3 TRP 35 -0.763 2.972 3.301 268 HH2 TRP 35 HH2 TRP 35 -1.985 1.299 2.004 269 H ARG 36 H ARG 36 -1.116 9.708 -1.638 270 HA ARG 36 HA ARG 36 -1.208 7.857 -3.774 271 1HB ARG 36 1HB ARG 36 -2.690 9.996 -3.305 272 2HB ARG 36 2HB ARG 36 -1.394 10.878 -4.088 273 1HG ARG 36 1HG ARG 36 -1.948 10.098 -6.169 274 2HG ARG 36 2HG ARG 36 -2.212 8.463 -5.594 275 1HD ARG 36 1HD ARG 36 -4.373 9.666 -4.446 276 2HD ARG 36 2HD ARG 36 -4.163 10.737 -5.817 277 HE ARG 36 HE ARG 36 -4.007 7.974 -6.663 278 1HH1 ARG 36 1HH1 ARG 36 -6.299 10.463 -5.696 279 2HH1 ARG 36 2HH1 ARG 36 -7.617 9.773 -6.582 280 1HH2 ARG 36 1HH2 ARG 36 -5.747 7.064 -7.833 281 2HH2 ARG 36 2HH2 ARG 36 -7.301 7.827 -7.805 282 H THR 37 H THR 37 0.755 10.795 -2.935 283 HA THR 37 HA THR 37 2.340 10.853 -5.209 284 HB THR 37 HB THR 37 2.803 11.673 -2.299 285 HG1 THR 37 HG1 THR 37 2.140 12.961 -4.854 286 1HG2 THR 37 1HG2 THR 37 4.817 11.471 -4.249 287 2HG2 THR 37 2HG2 THR 37 4.237 13.145 -4.425 288 3HG2 THR 37 3HG2 THR 37 4.841 12.573 -2.851 289 H PHE 38 H PHE 38 2.944 9.145 -2.071 290 HA PHE 38 HA PHE 38 5.392 8.097 -2.743 291 1HB PHE 38 1HB PHE 38 2.995 7.160 -1.079 292 2HB PHE 38 2HB PHE 38 4.466 6.207 -1.117 293 HD1 PHE 38 HD1 PHE 38 2.948 7.901 1.140 294 HD2 PHE 38 HD2 PHE 38 6.487 8.425 -1.143 295 HE1 PHE 38 HE1 PHE 38 3.917 9.323 2.968 296 HE2 PHE 38 HE2 PHE 38 7.455 9.847 0.685 297 HZ PHE 38 HZ PHE 38 6.159 10.279 2.718 298 H CYS 39 H CYS 39 2.116 7.091 -3.727 299 HA CYS 39 HA CYS 39 3.284 4.749 -5.023 300 1HB CYS 39 1HB CYS 39 1.260 4.540 -3.460 301 2HB CYS 39 2HB CYS 39 0.331 5.334 -4.715 302 HG CYS 39 HG CYS 39 0.517 3.646 -6.528 303 H ALA 40 H ALA 40 3.231 7.840 -5.713 304 HA ALA 40 HA ALA 40 1.823 7.689 -8.265 305 1HB ALA 40 1HB ALA 40 3.167 10.014 -6.827 306 2HB ALA 40 2HB ALA 40 2.188 10.123 -8.310 307 3HB ALA 40 3HB ALA 40 1.430 9.629 -6.777 308 H SER 41 H SER 41 5.084 8.361 -6.838 309 HA SER 41 HA SER 41 6.317 7.092 -9.023 310 1HB SER 41 1HB SER 41 5.684 9.725 -9.576 311 2HB SER 41 2HB SER 41 7.301 9.897 -8.921 312 HG SER 41 HG SER 41 7.129 9.509 -11.304 313 H GLU 42 H GLU 42 6.254 6.806 -6.161 314 HA GLU 42 HA GLU 42 8.974 7.646 -5.515 315 1HB GLU 42 1HB GLU 42 6.991 8.622 -4.146 316 2HB GLU 42 2HB GLU 42 6.826 7.018 -3.458 317 1HG GLU 42 1HG GLU 42 8.290 7.955 -1.912 318 2HG GLU 42 2HG GLU 42 9.449 7.259 -3.027 319 H TRP 43 H TRP 43 6.438 5.101 -5.047 320 HA TRP 43 HA TRP 43 8.318 3.225 -4.007 321 1HB TRP 43 1HB TRP 43 5.437 3.111 -4.854 322 2HB TRP 43 2HB TRP 43 6.324 1.646 -4.485 323 HD1 TRP 43 HD1 TRP 43 7.951 3.413 -2.006 324 HE1 TRP 43 HE1 TRP 43 6.760 3.610 0.341 325 HE3 TRP 43 HE3 TRP 43 3.288 2.285 -3.690 326 HZ2 TRP 43 HZ2 TRP 43 4.062 3.279 1.210 327 HZ3 TRP 43 HZ3 TRP 43 1.431 2.243 -2.027 328 HH2 TRP 43 HH2 TRP 43 1.759 2.717 0.348 329 HA PRO 44 HA PRO 44 7.941 1.771 -8.520 330 1HB PRO 44 1HB PRO 44 6.913 3.479 -10.389 331 2HB PRO 44 2HB PRO 44 5.965 2.228 -9.609 332 1HG PRO 44 1HG PRO 44 5.936 5.145 -9.130 333 2HG PRO 44 2HG PRO 44 4.734 3.948 -8.690 334 1HD PRO 44 1HD PRO 44 6.645 5.184 -6.944 335 2HD PRO 44 2HD PRO 44 5.522 3.904 -6.530 336 H THR 45 H THR 45 9.302 4.369 -7.208 337 HA THR 45 HA THR 45 11.210 4.587 -9.445 338 HB THR 45 HB THR 45 11.593 6.929 -8.419 339 HG1 THR 45 HG1 THR 45 8.999 6.198 -7.270 340 1HG2 THR 45 1HG2 THR 45 9.781 6.197 -10.339 341 2HG2 THR 45 2HG2 THR 45 8.671 6.813 -9.092 342 3HG2 THR 45 3HG2 THR 45 9.941 7.871 -9.754 343 H PHE 46 H PHE 46 10.990 2.674 -7.057 344 HA PHE 46 HA PHE 46 13.421 3.480 -5.655 345 1HB PHE 46 1HB PHE 46 11.101 1.537 -5.261 346 2HB PHE 46 2HB PHE 46 12.595 1.235 -4.397 347 HD1 PHE 46 HD1 PHE 46 10.859 1.462 -2.462 348 HD2 PHE 46 HD2 PHE 46 12.172 4.710 -4.857 349 HE1 PHE 46 HE1 PHE 46 10.148 3.071 -0.671 350 HE2 PHE 46 HE2 PHE 46 11.461 6.318 -3.066 351 HZ PHE 46 HZ PHE 46 10.458 5.480 -0.994 352 H ASP 47 H ASP 47 12.506 1.747 -8.395 353 HA ASP 47 HA ASP 47 13.497 0.298 -9.666 354 1HB ASP 47 1HB ASP 47 15.803 1.133 -7.903 355 2HB ASP 47 2HB ASP 47 16.042 -0.229 -8.980 356 H VAL 48 H VAL 48 12.063 -1.420 -8.808 357 HA VAL 48 HA VAL 48 13.546 -3.559 -7.610 358 HB VAL 48 HB VAL 48 11.914 -3.844 -5.745 359 1HG1 VAL 48 1HG1 VAL 48 13.119 -2.498 -4.243 360 2HG1 VAL 48 2HG1 VAL 48 14.246 -2.753 -5.597 361 3HG1 VAL 48 3HG1 VAL 48 13.368 -1.212 -5.449 362 1HG2 VAL 48 1HG2 VAL 48 10.823 -1.598 -5.020 363 2HG2 VAL 48 2HG2 VAL 48 10.998 -1.146 -6.732 364 3HG2 VAL 48 3HG2 VAL 48 10.033 -2.573 -6.282 365 H GLY 49 H GLY 49 10.345 -2.184 -8.572 366 1HA GLY 49 1HA GLY 49 9.591 -3.506 -10.645 367 2HA GLY 49 2HA GLY 49 9.549 -4.854 -9.526 368 H TRP 50 H TRP 50 8.717 -1.387 -8.901 369 HA TRP 50 HA TRP 50 6.055 -2.317 -8.092 370 1HB TRP 50 1HB TRP 50 7.328 -1.285 -6.317 371 2HB TRP 50 2HB TRP 50 7.647 0.128 -7.304 372 HD1 TRP 50 HD1 TRP 50 5.524 1.841 -7.692 373 HE1 TRP 50 HE1 TRP 50 3.302 2.325 -6.352 374 HE3 TRP 50 HE3 TRP 50 5.616 -2.447 -4.961 375 HZ2 TRP 50 HZ2 TRP 50 1.865 0.892 -4.346 376 HZ3 TRP 50 HZ3 TRP 50 3.766 -2.828 -3.334 377 HH2 TRP 50 HH2 TRP 50 1.935 -1.243 -3.005 378 HA PRO 51 HA PRO 51 4.733 -0.231 -11.709 379 1HB PRO 51 1HB PRO 51 2.066 -0.788 -11.500 380 2HB PRO 51 2HB PRO 51 3.222 -1.892 -12.217 381 1HG PRO 51 1HG PRO 51 1.917 -2.039 -9.569 382 2HG PRO 51 2HG PRO 51 2.723 -3.309 -10.467 383 1HD PRO 51 1HD PRO 51 3.768 -1.870 -8.217 384 2HD PRO 51 2HD PRO 51 4.616 -3.058 -9.187 385 HA PRO 52 HA PRO 52 3.272 3.581 -10.551 386 1HB PRO 52 1HB PRO 52 1.839 4.458 -12.706 387 2HB PRO 52 2HB PRO 52 3.590 4.504 -12.636 388 1HG PRO 52 1HG PRO 52 1.844 2.651 -14.139 389 2HG PRO 52 2HG PRO 52 3.547 2.991 -14.376 390 1HD PRO 52 1HD PRO 52 2.418 0.671 -13.123 391 2HD PRO 52 2HD PRO 52 4.120 1.066 -13.258 392 H GLU 53 H GLU 53 0.788 1.458 -11.780 393 HA GLU 53 HA GLU 53 -1.254 2.957 -10.513 394 1HB GLU 53 1HB GLU 53 -1.112 0.293 -11.943 395 2HB GLU 53 2HB GLU 53 -2.560 0.725 -11.055 396 1HG GLU 53 1HG GLU 53 -1.306 2.564 -13.141 397 2HG GLU 53 2HG GLU 53 -2.522 1.369 -13.547 398 H GLY 54 H GLY 54 0.999 0.432 -9.582 399 1HA GLY 54 1HA GLY 54 1.380 0.079 -7.258 400 2HA GLY 54 2HA GLY 54 -0.335 0.272 -6.955 401 H THR 55 H THR 55 0.697 -1.948 -5.857 402 HA THR 55 HA THR 55 -0.601 -4.041 -7.343 403 HB THR 55 HB THR 55 1.777 -3.878 -8.299 404 HG1 THR 55 HG1 THR 55 1.177 -6.224 -6.649 405 1HG2 THR 55 1HG2 THR 55 3.468 -5.103 -6.772 406 2HG2 THR 55 2HG2 THR 55 3.149 -3.401 -6.358 407 3HG2 THR 55 3HG2 THR 55 2.382 -4.704 -5.419 408 H PHE 56 H PHE 56 -1.124 -5.863 -6.056 409 HA PHE 56 HA PHE 56 -0.810 -5.277 -3.202 410 1HB PHE 56 1HB PHE 56 -2.846 -6.738 -4.964 411 2HB PHE 56 2HB PHE 56 -2.824 -7.019 -3.235 412 HD1 PHE 56 HD1 PHE 56 -4.553 -5.344 -5.603 413 HD2 PHE 56 HD2 PHE 56 -2.552 -4.541 -1.948 414 HE1 PHE 56 HE1 PHE 56 -5.998 -3.321 -5.256 415 HE2 PHE 56 HE2 PHE 56 -3.997 -2.519 -1.601 416 HZ PHE 56 HZ PHE 56 -5.703 -1.933 -3.259 417 H ASP 57 H ASP 57 1.368 -6.501 -4.609 418 HA ASP 57 HA ASP 57 1.079 -9.308 -3.987 419 1HB ASP 57 1HB ASP 57 2.134 -8.436 -6.158 420 2HB ASP 57 2HB ASP 57 3.470 -7.841 -5.191 421 H LEU 58 H LEU 58 1.505 -9.741 -1.805 422 HA LEU 58 HA LEU 58 2.763 -8.135 -0.024 423 1HB LEU 58 1HB LEU 58 1.508 -10.464 0.125 424 2HB LEU 58 2HB LEU 58 3.145 -11.084 0.205 425 HG LEU 58 HG LEU 58 1.548 -9.939 2.279 426 1HD1 LEU 58 1HD1 LEU 58 3.039 -11.969 2.319 427 2HD1 LEU 58 2HD1 LEU 58 4.425 -10.859 2.442 428 3HD1 LEU 58 3HD1 LEU 58 3.186 -10.881 3.720 429 1HD2 LEU 58 1HD2 LEU 58 2.342 -7.767 1.934 430 2HD2 LEU 58 2HD2 LEU 58 3.391 -8.417 3.217 431 3HD2 LEU 58 3HD2 LEU 58 3.986 -8.326 1.542 432 H THR 59 H THR 59 4.252 -10.565 -2.234 433 HA THR 59 HA THR 59 6.842 -10.416 -1.236 434 HB THR 59 HB THR 59 5.760 -10.918 -4.058 435 HG1 THR 59 HG1 THR 59 5.584 -13.014 -3.195 436 1HG2 THR 59 1HG2 THR 59 7.825 -11.989 -4.570 437 2HG2 THR 59 2HG2 THR 59 8.351 -10.506 -3.738 438 3HG2 THR 59 3HG2 THR 59 8.315 -12.054 -2.860 439 H VAL 60 H VAL 60 5.326 -8.495 -3.911 440 HA VAL 60 HA VAL 60 7.609 -6.938 -4.350 441 HB VAL 60 HB VAL 60 4.693 -6.309 -4.849 442 1HG1 VAL 60 1HG1 VAL 60 5.420 -4.727 -6.479 443 2HG1 VAL 60 2HG1 VAL 60 6.333 -4.383 -4.990 444 3HG1 VAL 60 3HG1 VAL 60 7.115 -5.251 -6.332 445 1HG2 VAL 60 1HG2 VAL 60 5.865 -8.504 -5.788 446 2HG2 VAL 60 2HG2 VAL 60 4.754 -7.535 -6.786 447 3HG2 VAL 60 3HG2 VAL 60 6.514 -7.353 -6.981 448 H ILE 61 H ILE 61 4.742 -6.547 -2.201 449 HA ILE 61 HA ILE 61 5.247 -3.959 -1.377 450 HB ILE 61 HB ILE 61 3.886 -6.324 -0.127 451 1HG1 ILE 61 1HG1 ILE 61 2.866 -3.682 -1.213 452 2HG1 ILE 61 2HG1 ILE 61 2.829 -5.216 -2.059 453 1HG2 ILE 61 1HG2 ILE 61 3.991 -3.551 1.088 454 2HG2 ILE 61 2HG2 ILE 61 3.117 -4.973 1.707 455 3HG2 ILE 61 3HG2 ILE 61 4.897 -4.960 1.691 456 1HD1 ILE 61 1HD1 ILE 61 0.647 -4.851 -1.039 457 2HD1 ILE 61 2HD1 ILE 61 1.451 -6.176 -0.164 458 3HD1 ILE 61 3HD1 ILE 61 1.393 -4.545 0.548 459 H PHE 62 H PHE 62 6.673 -7.081 -0.342 460 HA PHE 62 HA PHE 62 8.006 -6.041 1.900 461 1HB PHE 62 1HB PHE 62 7.901 -8.468 0.164 462 2HB PHE 62 2HB PHE 62 9.494 -8.208 0.847 463 HD1 PHE 62 HD1 PHE 62 9.945 -9.205 2.870 464 HD2 PHE 62 HD2 PHE 62 5.927 -8.186 1.966 465 HE1 PHE 62 HE1 PHE 62 9.195 -10.257 5.022 466 HE2 PHE 62 HE2 PHE 62 5.176 -9.237 4.119 467 HZ PHE 62 HZ PHE 62 6.819 -10.260 5.621 468 H GLU 63 H GLU 63 8.652 -5.947 -1.570 469 HA GLU 63 HA GLU 63 11.424 -5.549 -1.323 470 1HB GLU 63 1HB GLU 63 9.480 -4.899 -3.581 471 2HB GLU 63 2HB GLU 63 11.221 -4.775 -3.727 472 1HG GLU 63 1HG GLU 63 11.443 -7.202 -3.153 473 2HG GLU 63 2HG GLU 63 9.701 -7.326 -3.008 474 H VAL 64 H VAL 64 8.604 -3.329 -1.873 475 HA VAL 64 HA VAL 64 10.256 -1.009 -1.747 476 HB VAL 64 HB VAL 64 7.301 -1.560 -1.832 477 1HG1 VAL 64 1HG1 VAL 64 8.616 1.168 -1.594 478 2HG1 VAL 64 2HG1 VAL 64 6.898 0.868 -1.951 479 3HG1 VAL 64 3HG1 VAL 64 7.577 0.388 -0.377 480 1HG2 VAL 64 1HG2 VAL 64 9.022 0.019 -3.759 481 2HG2 VAL 64 2HG2 VAL 64 8.805 -1.744 -3.879 482 3HG2 VAL 64 3HG2 VAL 64 7.399 -0.662 -4.026 483 H LYS 65 H LYS 65 8.236 -2.914 0.517 484 HA LYS 65 HA LYS 65 8.205 -1.038 2.587 485 1HB LYS 65 1HB LYS 65 6.652 -2.867 2.558 486 2HB LYS 65 2HB LYS 65 7.941 -4.053 2.550 487 1HG LYS 65 1HG LYS 65 8.692 -2.889 4.804 488 2HG LYS 65 2HG LYS 65 7.066 -2.237 4.817 489 1HD LYS 65 1HD LYS 65 6.084 -4.295 5.216 490 2HD LYS 65 2HD LYS 65 7.262 -5.168 4.257 491 1HE LYS 65 1HE LYS 65 8.698 -4.064 6.474 492 2HE LYS 65 2HE LYS 65 7.219 -4.734 7.134 493 1HZ LYS 65 1HZ LYS 65 8.623 -6.344 5.189 494 2HZ LYS 65 2HZ LYS 65 9.319 -6.195 6.659 495 3HZ LYS 65 3HZ LYS 65 7.809 -6.804 6.527 496 H ALA 66 H ALA 66 10.484 -3.730 1.787 497 HA ALA 66 HA ALA 66 12.101 -3.436 4.030 498 1HB ALA 66 1HB ALA 66 13.760 -4.665 2.664 499 2HB ALA 66 2HB ALA 66 12.135 -5.376 2.513 500 3HB ALA 66 3HB ALA 66 12.785 -4.355 1.208 501 H ILE 67 H ILE 67 11.700 -1.466 1.145 502 HA ILE 67 HA ILE 67 14.257 -0.187 1.420 503 HB ILE 67 HB ILE 67 11.839 0.310 -0.311 504 1HG1 ILE 67 1HG1 ILE 67 14.601 -0.583 -1.149 505 2HG1 ILE 67 2HG1 ILE 67 13.372 -1.727 -0.648 506 1HG2 ILE 67 1HG2 ILE 67 14.465 1.818 -0.229 507 2HG2 ILE 67 2HG2 ILE 67 13.279 1.915 -1.553 508 3HG2 ILE 67 3HG2 ILE 67 12.835 2.462 0.082 509 1HD1 ILE 67 1HD1 ILE 67 12.476 0.323 -2.630 510 2HD1 ILE 67 2HD1 ILE 67 13.660 -0.869 -3.220 511 3HD1 ILE 67 3HD1 ILE 67 12.106 -1.417 -2.545 512 H VAL 68 H VAL 68 10.840 0.406 2.337 513 HA VAL 68 HA VAL 68 11.445 3.030 3.327 514 HB VAL 68 HB VAL 68 9.190 3.236 3.665 515 1HG1 VAL 68 1HG1 VAL 68 9.982 2.062 1.292 516 2HG1 VAL 68 2HG1 VAL 68 8.597 1.060 1.787 517 3HG1 VAL 68 3HG1 VAL 68 8.402 2.820 1.604 518 1HG2 VAL 68 1HG2 VAL 68 9.060 1.348 5.304 519 2HG2 VAL 68 2HG2 VAL 68 7.638 1.483 4.241 520 3HG2 VAL 68 3HG2 VAL 68 8.865 0.230 3.933 521 H PHE 69 H PHE 69 11.371 -0.304 4.522 522 HA PHE 69 HA PHE 69 11.629 0.674 7.259 523 1HB PHE 69 1HB PHE 69 10.936 -1.900 5.802 524 2HB PHE 69 2HB PHE 69 11.636 -2.060 7.400 525 HD1 PHE 69 HD1 PHE 69 8.717 -0.938 5.504 526 HD2 PHE 69 HD2 PHE 69 10.407 -1.353 9.374 527 HE1 PHE 69 HE1 PHE 69 6.457 -0.567 6.530 528 HE2 PHE 69 HE2 PHE 69 8.147 -0.982 10.401 529 HZ PHE 69 HZ PHE 69 6.199 -0.593 8.966 530 H GLN 70 H GLN 70 13.773 0.953 5.143 531 HA GLN 70 HA GLN 70 15.696 -0.944 5.326 532 1HB GLN 70 1HB GLN 70 15.747 2.044 4.918 533 2HB GLN 70 2HB GLN 70 17.273 1.202 5.100 534 1HG GLN 70 1HG GLN 70 16.696 -0.317 3.228 535 2HG GLN 70 2HG GLN 70 15.116 0.426 3.079 536 1HE2 GLN 70 1HE2 GLN 70 15.861 0.729 0.860 537 2HE2 GLN 70 2HE2 GLN 70 16.768 2.145 0.445 538 H ASP 71 H ASP 71 18.049 -0.158 6.415 539 HA ASP 71 HA ASP 71 17.374 0.163 9.234 540 1HB ASP 71 1HB ASP 71 18.325 -2.104 8.403 541 2HB ASP 71 2HB ASP 71 19.832 -1.255 8.123 542 H GLY 72 H GLY 72 18.160 2.097 6.923 543 1HA GLY 72 1HA GLY 72 20.420 3.366 8.331 544 2HA GLY 72 2HA GLY 72 20.465 3.145 6.593 545 HA PRO 73 HA PRO 73 18.417 7.120 7.304 546 1HB PRO 73 1HB PRO 73 19.982 8.629 5.650 547 2HB PRO 73 2HB PRO 73 20.282 8.468 7.369 548 1HG PRO 73 1HG PRO 73 21.726 7.221 5.111 549 2HG PRO 73 2HG PRO 73 22.248 7.420 6.771 550 1HD PRO 73 1HD PRO 73 21.293 5.007 5.551 551 2HD PRO 73 2HD PRO 73 21.705 5.236 7.239 552 H GLY 74 H GLY 74 18.753 4.936 4.882 553 1HA GLY 74 1HA GLY 74 17.444 6.457 2.811 554 2HA GLY 74 2HA GLY 74 17.856 4.754 2.798 555 H SER 75 H SER 75 16.563 4.054 5.347 556 HA SER 75 HA SER 75 14.186 3.204 4.528 557 1HB SER 75 1HB SER 75 13.550 2.989 6.890 558 2HB SER 75 2HB SER 75 15.248 2.605 6.689 559 HG SER 75 HG SER 75 14.050 4.667 8.134 560 H HIS 76 H HIS 76 11.895 3.906 5.310 561 HA HIS 76 HA HIS 76 11.694 6.821 5.321 562 1HB HIS 76 1HB HIS 76 9.748 5.153 3.749 563 2HB HIS 76 2HB HIS 76 10.074 6.871 3.638 564 HD1 HIS 76 HD1 HIS 76 12.840 7.278 2.892 565 HD2 HIS 76 HD2 HIS 76 10.810 3.834 1.622 566 HE1 HIS 76 HE1 HIS 76 14.121 6.398 0.868 567 HA PRO 77 HA PRO 77 9.286 5.371 8.738 568 1HB PRO 77 1HB PRO 77 9.513 7.634 10.253 569 2HB PRO 77 2HB PRO 77 10.659 6.310 10.329 570 1HG PRO 77 1HG PRO 77 10.966 8.957 9.047 571 2HG PRO 77 2HG PRO 77 12.208 7.807 9.502 572 1HD PRO 77 1HD PRO 77 11.211 8.299 6.858 573 2HD PRO 77 2HD PRO 77 12.368 7.071 7.330 574 H ASP 78 H ASP 78 8.755 7.615 6.387 575 HA ASP 78 HA ASP 78 6.292 8.527 7.547 576 1HB ASP 78 1HB ASP 78 8.103 9.378 5.444 577 2HB ASP 78 2HB ASP 78 6.496 9.218 4.765 578 H GLN 79 H GLN 79 7.577 6.420 4.915 579 HA GLN 79 HA GLN 79 4.911 5.775 4.060 580 1HB GLN 79 1HB GLN 79 7.617 4.736 3.107 581 2HB GLN 79 2HB GLN 79 6.080 4.392 2.340 582 1HG GLN 79 1HG GLN 79 5.747 6.714 1.739 583 2HG GLN 79 2HG GLN 79 7.052 7.246 2.780 584 1HE2 GLN 79 1HE2 GLN 79 8.825 7.773 1.780 585 2HE2 GLN 79 2HE2 GLN 79 9.448 7.104 0.309 586 H GLN 80 H GLN 80 7.237 4.689 6.370 587 HA GLN 80 HA GLN 80 7.020 2.000 6.332 588 1HB GLN 80 1HB GLN 80 7.591 4.071 8.362 589 2HB GLN 80 2HB GLN 80 6.959 2.591 9.058 590 1HG GLN 80 1HG GLN 80 8.739 1.266 8.182 591 2HG GLN 80 2HG GLN 80 9.172 2.469 6.984 592 1HE2 GLN 80 1HE2 GLN 80 11.148 3.098 7.430 593 2HE2 GLN 80 2HE2 GLN 80 11.746 3.650 8.959 594 HA PRO 81 HA PRO 81 2.944 2.400 8.740 595 1HB PRO 81 1HB PRO 81 1.688 4.823 8.874 596 2HB PRO 81 2HB PRO 81 2.728 4.212 10.144 597 1HG PRO 81 1HG PRO 81 3.288 6.311 8.139 598 2HG PRO 81 2HG PRO 81 4.117 5.986 9.648 599 1HD PRO 81 1HD PRO 81 5.025 5.315 7.012 600 2HD PRO 81 2HD PRO 81 5.796 4.887 8.526 601 H TYR 82 H TYR 82 3.474 4.072 5.808 602 HA TYR 82 HA TYR 82 0.776 3.752 4.894 603 1HB TYR 82 1HB TYR 82 3.527 4.459 3.719 604 2HB TYR 82 2HB TYR 82 2.107 4.386 2.696 605 HD1 TYR 82 HD1 TYR 82 2.774 5.837 6.101 606 HD2 TYR 82 HD2 TYR 82 1.388 6.507 2.109 607 HE1 TYR 82 HE1 TYR 82 2.220 8.248 6.690 608 HE2 TYR 82 HE2 TYR 82 0.839 8.915 2.711 609 HH TYR 82 HH TYR 82 1.993 10.381 5.504 610 H ILE 83 H ILE 83 3.978 2.190 4.206 611 HA ILE 83 HA ILE 83 2.901 0.360 2.356 612 HB ILE 83 HB ILE 83 5.269 1.103 2.519 613 1HG1 ILE 83 1HG1 ILE 83 6.207 -1.020 1.831 614 2HG1 ILE 83 2HG1 ILE 83 4.920 -1.905 2.625 615 1HG2 ILE 83 1HG2 ILE 83 5.197 -0.602 5.008 616 2HG2 ILE 83 2HG2 ILE 83 6.705 -0.278 4.119 617 3HG2 ILE 83 3HG2 ILE 83 5.772 1.071 4.811 618 1HD1 ILE 83 1HD1 ILE 83 3.984 0.167 0.701 619 2HD1 ILE 83 2HD1 ILE 83 4.883 -1.188 -0.024 620 3HD1 ILE 83 3HD1 ILE 83 3.419 -1.503 0.938 621 H THR 84 H THR 84 3.364 0.356 5.906 622 HA THR 84 HA THR 84 3.010 -2.317 6.435 623 HB THR 84 HB THR 84 2.213 0.245 7.893 624 HG1 THR 84 HG1 THR 84 4.156 -0.598 9.096 625 1HG2 THR 84 1HG2 THR 84 0.819 -1.612 8.816 626 2HG2 THR 84 2HG2 THR 84 2.269 -2.636 8.939 627 3HG2 THR 84 3HG2 THR 84 2.120 -1.180 9.951 628 H VAL 85 H VAL 85 0.495 0.186 5.797 629 HA VAL 85 HA VAL 85 -1.664 -1.535 6.302 630 HB VAL 85 HB VAL 85 -1.338 1.003 4.703 631 1HG1 VAL 85 1HG1 VAL 85 -3.295 0.543 3.715 632 2HG1 VAL 85 2HG1 VAL 85 -3.591 -0.860 4.769 633 3HG1 VAL 85 3HG1 VAL 85 -4.039 0.774 5.315 634 1HG2 VAL 85 1HG2 VAL 85 -2.222 0.324 7.500 635 2HG2 VAL 85 2HG2 VAL 85 -1.068 1.560 6.943 636 3HG2 VAL 85 3HG2 VAL 85 -2.815 1.802 6.704 637 H TRP 86 H TRP 86 0.291 -0.793 3.378 638 HA TRP 86 HA TRP 86 -1.317 -2.071 1.515 639 1HB TRP 86 1HB TRP 86 1.579 -1.359 1.696 640 2HB TRP 86 2HB TRP 86 1.060 -2.440 0.418 641 HD1 TRP 86 HD1 TRP 86 0.794 1.228 1.494 642 HE1 TRP 86 HE1 TRP 86 -0.216 2.731 -0.425 643 HE3 TRP 86 HE3 TRP 86 -0.538 -2.626 -1.544 644 HZ2 TRP 86 HZ2 TRP 86 -1.432 2.153 -2.941 645 HZ3 TRP 86 HZ3 TRP 86 -1.632 -2.070 -3.713 646 HH2 TRP 86 HH2 TRP 86 -2.083 0.224 -4.428 647 H GLN 87 H GLN 87 1.358 -3.289 3.638 648 HA GLN 87 HA GLN 87 1.364 -5.860 2.649 649 1HB GLN 87 1HB GLN 87 3.192 -5.142 4.017 650 2HB GLN 87 2HB GLN 87 2.137 -4.670 5.334 651 1HG GLN 87 1HG GLN 87 1.829 -7.517 4.584 652 2HG GLN 87 2HG GLN 87 3.458 -7.124 5.097 653 1HE2 GLN 87 1HE2 GLN 87 3.495 -8.057 7.044 654 2HE2 GLN 87 2HE2 GLN 87 2.492 -7.628 8.390 655 H ASP 88 H ASP 88 -0.697 -4.252 5.093 656 HA ASP 88 HA ASP 88 -1.817 -6.654 6.035 657 1HB ASP 88 1HB ASP 88 -1.818 -4.015 6.847 658 2HB ASP 88 2HB ASP 88 -3.436 -4.149 6.188 659 H LEU 89 H LEU 89 -2.482 -4.296 3.431 660 HA LEU 89 HA LEU 89 -5.131 -5.001 2.900 661 1HB LEU 89 1HB LEU 89 -2.923 -3.636 1.430 662 2HB LEU 89 2HB LEU 89 -4.331 -4.149 0.522 663 HG LEU 89 HG LEU 89 -4.514 -2.413 2.993 664 1HD1 LEU 89 1HD1 LEU 89 -3.160 -1.529 0.906 665 2HD1 LEU 89 2HD1 LEU 89 -4.792 -1.258 0.250 666 3HD1 LEU 89 3HD1 LEU 89 -4.308 -0.486 1.779 667 1HD2 LEU 89 1HD2 LEU 89 -6.567 -2.319 0.861 668 2HD2 LEU 89 2HD2 LEU 89 -6.483 -3.826 1.805 669 3HD2 LEU 89 3HD2 LEU 89 -6.736 -2.271 2.632 670 H VAL 90 H VAL 90 -2.025 -6.136 1.397 671 HA VAL 90 HA VAL 90 -3.294 -8.037 -0.238 672 HB VAL 90 HB VAL 90 -1.076 -8.838 -0.663 673 1HG1 VAL 90 1HG1 VAL 90 -0.897 -5.838 -0.243 674 2HG1 VAL 90 2HG1 VAL 90 -0.019 -6.822 -1.439 675 3HG1 VAL 90 3HG1 VAL 90 -1.781 -6.610 -1.582 676 1HG2 VAL 90 1HG2 VAL 90 -0.242 -7.257 1.790 677 2HG2 VAL 90 2HG2 VAL 90 -0.203 -9.024 1.586 678 3HG2 VAL 90 3HG2 VAL 90 0.884 -7.993 0.625 679 H GLN 91 H GLN 91 -1.631 -8.267 2.975 680 HA GLN 91 HA GLN 91 -1.801 -10.941 3.316 681 1HB GLN 91 1HB GLN 91 -2.037 -8.656 5.305 682 2HB GLN 91 2HB GLN 91 -2.008 -10.327 5.832 683 1HG GLN 91 1HG GLN 91 0.127 -9.595 3.878 684 2HG GLN 91 2HG GLN 91 0.241 -8.785 5.428 685 1HE2 GLN 91 1HE2 GLN 91 2.267 -10.137 5.308 686 2HE2 GLN 91 2HE2 GLN 91 2.226 -11.713 6.024 687 H ASN 92 H ASN 92 -4.315 -8.451 4.108 688 HA ASN 92 HA ASN 92 -6.181 -10.670 4.401 689 1HB ASN 92 1HB ASN 92 -6.006 -7.914 5.657 690 2HB ASN 92 2HB ASN 92 -7.587 -8.649 5.480 691 1HD2 ASN 92 1HD2 ASN 92 -5.028 -8.267 7.487 692 2HD2 ASN 92 2HD2 ASN 92 -5.199 -9.640 8.529 693 H SER 93 H SER 93 -5.870 -10.316 1.820 694 HA SER 93 HA SER 93 -6.624 -8.237 0.409 695 1HB SER 93 1HB SER 93 -7.346 -9.742 -1.335 696 2HB SER 93 2HB SER 93 -6.062 -10.544 -0.452 697 HG SER 93 HG SER 93 -7.436 -12.145 -0.141 698 HA PRO 94 HA PRO 94 -10.689 -7.406 1.896 699 1HB PRO 94 1HB PRO 94 -10.993 -4.963 0.710 700 2HB PRO 94 2HB PRO 94 -10.219 -5.183 2.266 701 1HG PRO 94 1HG PRO 94 -8.979 -4.618 -0.357 702 2HG PRO 94 2HG PRO 94 -8.296 -4.423 1.245 703 1HD PRO 94 1HD PRO 94 -7.733 -6.532 -0.615 704 2HD PRO 94 2HD PRO 94 -7.140 -6.398 1.028 705 HA PRO 95 HA PRO 95 -13.322 -8.458 -1.260 706 1HB PRO 95 1HB PRO 95 -15.701 -7.297 -0.580 707 2HB PRO 95 2HB PRO 95 -15.117 -8.780 0.146 708 1HG PRO 95 1HG PRO 95 -15.189 -6.057 1.295 709 2HG PRO 95 2HG PRO 95 -15.018 -7.593 2.121 710 1HD PRO 95 1HD PRO 95 -12.936 -5.697 1.575 711 2HD PRO 95 2HD PRO 95 -12.747 -7.282 2.297 712 H TRP 96 H TRP 96 -12.889 -5.107 -0.642 713 HA TRP 96 HA TRP 96 -14.136 -4.325 -3.109 714 1HB TRP 96 1HB TRP 96 -13.166 -2.091 -2.504 715 2HB TRP 96 2HB TRP 96 -14.317 -2.769 -1.370 716 HD1 TRP 96 HD1 TRP 96 -13.331 -3.516 1.064 717 HE1 TRP 96 HE1 TRP 96 -11.147 -2.944 2.431 718 HE3 TRP 96 HE3 TRP 96 -10.731 -1.624 -2.874 719 HZ2 TRP 96 HZ2 TRP 96 -8.634 -1.790 1.727 720 HZ3 TRP 96 HZ3 TRP 96 -8.418 -0.796 -2.449 721 HH2 TRP 96 HH2 TRP 96 -7.366 -0.856 -0.244 722 H ILE 97 H ILE 97 -11.251 -5.879 -2.208 723 HA ILE 97 HA ILE 97 -9.771 -4.684 -4.437 724 HB ILE 97 HB ILE 97 -9.023 -5.924 -1.850 725 1HG1 ILE 97 1HG1 ILE 97 -7.997 -3.641 -3.552 726 2HG1 ILE 97 2HG1 ILE 97 -8.894 -3.539 -2.050 727 1HG2 ILE 97 1HG2 ILE 97 -8.031 -7.498 -3.436 728 2HG2 ILE 97 2HG2 ILE 97 -7.259 -6.150 -4.305 729 3HG2 ILE 97 3HG2 ILE 97 -6.784 -6.518 -2.629 730 1HD1 ILE 97 1HD1 ILE 97 -6.994 -4.705 -0.871 731 2HD1 ILE 97 2HD1 ILE 97 -6.079 -4.669 -2.398 732 3HD1 ILE 97 3HD1 ILE 97 -6.523 -3.146 -1.590 733 H LYS 98 H LYS 98 -10.266 -7.941 -2.889 734 HA LYS 98 HA LYS 98 -10.113 -9.968 -3.827 735 1HB LYS 98 1HB LYS 98 -12.494 -8.778 -4.326 736 2HB LYS 98 2HB LYS 98 -12.013 -9.165 -5.965 737 1HG LYS 98 1HG LYS 98 -11.467 -11.402 -4.136 738 2HG LYS 98 2HG LYS 98 -13.154 -10.933 -4.082 739 1HD LYS 98 1HD LYS 98 -13.454 -11.298 -6.436 740 2HD LYS 98 2HD LYS 98 -11.728 -11.315 -6.741 741 1HE LYS 98 1HE LYS 98 -11.465 -13.504 -5.987 742 2HE LYS 98 2HE LYS 98 -12.762 -13.377 -4.816 743 1HZ LYS 98 1HZ LYS 98 -14.275 -13.287 -6.794 744 2HZ LYS 98 2HZ LYS 98 -13.004 -13.751 -7.710 745 3HZ LYS 98 3HZ LYS 98 -13.551 -14.725 -6.518 746 H SER 99 H SER 99 -7.799 -9.222 -4.482 747 HA SER 99 HA SER 99 -7.127 -8.367 -6.930 748 1HB SER 99 1HB SER 99 -5.764 -9.351 -4.774 749 2HB SER 99 2HB SER 99 -5.503 -10.660 -5.909 750 HG SER 99 HG SER 99 -4.438 -8.082 -5.891 751 H GLY 100 H GLY 100 -7.144 -9.161 -9.033 752 1HA GLY 100 1HA GLY 100 -6.832 -11.650 -9.982 753 2HA GLY 100 2HA GLY 100 -8.510 -11.679 -9.480 754 HA PRO 101 HA PRO 101 -7.959 -8.548 -13.031 755 1HB PRO 101 1HB PRO 101 -5.766 -8.853 -14.632 756 2HB PRO 101 2HB PRO 101 -5.850 -7.676 -13.336 757 1HG PRO 101 1HG PRO 101 -4.388 -10.244 -13.415 758 2HG PRO 101 2HG PRO 101 -4.156 -8.881 -12.338 759 1HD PRO 101 1HD PRO 101 -5.468 -11.355 -11.717 760 2HD PRO 101 2HD PRO 101 -5.337 -9.949 -10.680 761 H SER 102 H SER 102 -6.701 -11.772 -13.565 762 HA SER 102 HA SER 102 -8.912 -12.160 -15.370 763 1HB SER 102 1HB SER 102 -6.918 -11.427 -16.761 764 2HB SER 102 2HB SER 102 -6.060 -12.849 -16.201 765 HG SER 102 HG SER 102 -8.614 -13.410 -17.223 766 H SER 103 H SER 103 -9.685 -14.312 -15.316 767 HA SER 103 HA SER 103 -9.967 -16.331 -14.576 768 1HB SER 103 1HB SER 103 -6.979 -16.213 -14.800 769 2HB SER 103 2HB SER 103 -7.641 -17.558 -13.891 770 HG SER 103 HG SER 103 -8.559 -16.849 -16.542 771 H GLY 104 H GLY 104 -11.081 -15.502 -12.673 772 1HA GLY 104 1HA GLY 104 -10.556 -16.545 -10.280 773 2HA GLY 104 2HA GLY 104 -9.529 -15.125 -10.240 Start of MODEL 14 1 1H GLY 0 1H GLY 0 -21.674 5.834 -1.793 2 1HA GLY 0 1HA GLY 0 -22.442 5.338 -3.962 3 2HA GLY 0 2HA GLY 0 -21.066 6.401 -4.184 4 H SER 1 H SER 1 -22.443 3.461 -5.120 5 HA SER 1 HA SER 1 -21.768 1.774 -6.304 6 1HB SER 1 1HB SER 1 -20.831 3.319 -7.886 7 2HB SER 1 2HB SER 1 -19.445 3.651 -6.866 8 HG SER 1 HG SER 1 -19.714 0.938 -7.515 9 H SER 2 H SER 2 -21.610 0.422 -4.379 10 HA SER 2 HA SER 2 -18.957 0.188 -3.260 11 1HB SER 2 1HB SER 2 -20.070 -1.264 -1.564 12 2HB SER 2 2HB SER 2 -20.808 0.322 -1.671 13 HG SER 2 HG SER 2 -21.793 -2.158 -2.788 14 H GLY 3 H GLY 3 -17.739 -0.946 -4.825 15 1HA GLY 3 1HA GLY 3 -17.410 -3.534 -4.903 16 2HA GLY 3 2HA GLY 3 -18.857 -3.441 -5.886 17 H SER 4 H SER 4 -15.633 -1.783 -5.560 18 HA SER 4 HA SER 4 -15.653 -1.506 -8.451 19 1HB SER 4 1HB SER 4 -13.716 0.084 -8.015 20 2HB SER 4 2HB SER 4 -15.259 0.595 -7.361 21 HG SER 4 HG SER 4 -13.606 0.874 -5.781 22 H SER 5 H SER 5 -13.839 -2.254 -9.723 23 HA SER 5 HA SER 5 -11.871 -3.801 -8.273 24 1HB SER 5 1HB SER 5 -12.151 -5.712 -9.887 25 2HB SER 5 2HB SER 5 -13.524 -5.486 -8.821 26 HG SER 5 HG SER 5 -14.778 -5.109 -10.512 27 H GLY 6 H GLY 6 -10.558 -1.895 -8.927 28 1HA GLY 6 1HA GLY 6 -9.708 -2.108 -11.749 29 2HA GLY 6 2HA GLY 6 -9.995 -0.555 -10.989 30 H THR 7 H THR 7 -7.904 0.288 -10.960 31 HA THR 7 HA THR 7 -5.628 -1.242 -10.323 32 HB THR 7 HB THR 7 -4.718 1.212 -10.007 33 HG1 THR 7 HG1 THR 7 -7.128 1.795 -9.638 34 1HG2 THR 7 1HG2 THR 7 -5.432 -0.275 -12.366 35 2HG2 THR 7 2HG2 THR 7 -5.938 1.411 -12.631 36 3HG2 THR 7 3HG2 THR 7 -4.242 1.043 -12.234 37 HA PRO 8 HA PRO 8 -5.534 -1.228 -6.036 38 1HB PRO 8 1HB PRO 8 -2.872 -1.018 -5.455 39 2HB PRO 8 2HB PRO 8 -3.624 -2.513 -5.973 40 1HG PRO 8 1HG PRO 8 -1.888 -0.682 -7.513 41 2HG PRO 8 2HG PRO 8 -2.294 -2.353 -7.851 42 1HD PRO 8 1HD PRO 8 -3.367 -0.030 -9.147 43 2HD PRO 8 2HD PRO 8 -3.857 -1.693 -9.403 44 H LEU 9 H LEU 9 -3.409 1.323 -7.235 45 HA LEU 9 HA LEU 9 -3.460 2.873 -4.962 46 1HB LEU 9 1HB LEU 9 -2.198 3.019 -7.280 47 2HB LEU 9 2HB LEU 9 -3.483 4.149 -7.661 48 HG LEU 9 HG LEU 9 -1.297 4.379 -5.614 49 1HD1 LEU 9 1HD1 LEU 9 -2.234 5.868 -8.015 50 2HD1 LEU 9 2HD1 LEU 9 -1.527 6.814 -6.683 51 3HD1 LEU 9 3HD1 LEU 9 -0.585 5.512 -7.448 52 1HD2 LEU 9 1HD2 LEU 9 -2.575 6.468 -4.806 53 2HD2 LEU 9 2HD2 LEU 9 -4.017 5.664 -5.471 54 3HD2 LEU 9 3HD2 LEU 9 -3.071 4.874 -4.187 55 H SER 10 H SER 10 -5.741 2.834 -7.772 56 HA SER 10 HA SER 10 -7.312 4.901 -6.747 57 1HB SER 10 1HB SER 10 -7.156 3.748 -9.154 58 2HB SER 10 2HB SER 10 -8.469 2.765 -8.537 59 HG SER 10 HG SER 10 -9.585 4.830 -8.005 60 H LEU 11 H LEU 11 -7.612 1.285 -6.698 61 HA LEU 11 HA LEU 11 -10.043 1.146 -5.391 62 1HB LEU 11 1HB LEU 11 -7.683 -0.654 -5.705 63 2HB LEU 11 2HB LEU 11 -8.919 -1.090 -4.541 64 HG LEU 11 HG LEU 11 -9.250 -0.718 -7.525 65 1HD1 LEU 11 1HD1 LEU 11 -10.014 -3.174 -5.987 66 2HD1 LEU 11 2HD1 LEU 11 -9.516 -2.996 -7.687 67 3HD1 LEU 11 3HD1 LEU 11 -8.304 -2.881 -6.389 68 1HD2 LEU 11 1HD2 LEU 11 -11.654 -1.706 -6.588 69 2HD2 LEU 11 2HD2 LEU 11 -11.232 -0.453 -5.395 70 3HD2 LEU 11 3HD2 LEU 11 -11.335 -0.039 -7.123 71 H THR 12 H THR 12 -6.688 1.420 -4.083 72 HA THR 12 HA THR 12 -7.441 1.206 -1.382 73 HB THR 12 HB THR 12 -5.125 2.325 -1.113 74 HG1 THR 12 HG1 THR 12 -4.579 3.369 -2.986 75 1HG2 THR 12 1HG2 THR 12 -5.739 -0.200 -2.583 76 2HG2 THR 12 2HG2 THR 12 -4.111 0.454 -2.881 77 3HG2 THR 12 3HG2 THR 12 -4.626 0.071 -1.221 78 H LEU 13 H LEU 13 -6.773 4.131 -3.422 79 HA LEU 13 HA LEU 13 -7.377 5.966 -1.436 80 1HB LEU 13 1HB LEU 13 -7.043 5.945 -4.355 81 2HB LEU 13 2HB LEU 13 -8.084 7.224 -3.762 82 HG LEU 13 HG LEU 13 -5.835 8.051 -3.958 83 1HD1 LEU 13 1HD1 LEU 13 -7.379 8.241 -1.663 84 2HD1 LEU 13 2HD1 LEU 13 -5.747 7.884 -1.049 85 3HD1 LEU 13 3HD1 LEU 13 -6.011 9.286 -2.113 86 1HD2 LEU 13 1HD2 LEU 13 -3.916 7.068 -3.152 87 2HD2 LEU 13 2HD2 LEU 13 -4.780 6.142 -1.901 88 3HD2 LEU 13 3HD2 LEU 13 -4.877 5.641 -3.606 89 H ASP 14 H ASP 14 -9.488 4.411 -3.928 90 HA ASP 14 HA ASP 14 -11.757 5.796 -3.444 91 1HB ASP 14 1HB ASP 14 -11.198 2.924 -4.218 92 2HB ASP 14 2HB ASP 14 -12.858 3.412 -3.939 93 H HIS 15 H HIS 15 -10.050 3.475 -1.422 94 HA HIS 15 HA HIS 15 -12.295 3.530 0.461 95 1HB HIS 15 1HB HIS 15 -10.577 1.254 -0.451 96 2HB HIS 15 2HB HIS 15 -11.108 1.274 1.219 97 HD1 HIS 15 HD1 HIS 15 -13.979 2.104 1.132 98 HD2 HIS 15 HD2 HIS 15 -12.291 -0.360 -1.813 99 HE1 HIS 15 HE1 HIS 15 -15.920 0.845 0.055 100 H TRP 16 H TRP 16 -10.416 5.595 0.381 101 HA TRP 16 HA TRP 16 -8.105 5.233 1.833 102 1HB TRP 16 1HB TRP 16 -8.652 7.257 0.596 103 2HB TRP 16 2HB TRP 16 -9.944 7.629 1.720 104 HD1 TRP 16 HD1 TRP 16 -9.151 9.561 3.276 105 HE1 TRP 16 HE1 TRP 16 -6.970 10.310 4.559 106 HE3 TRP 16 HE3 TRP 16 -6.220 5.766 1.586 107 HZ2 TRP 16 HZ2 TRP 16 -4.323 9.256 4.719 108 HZ3 TRP 16 HZ3 TRP 16 -3.849 5.699 2.354 109 HH2 TRP 16 HH2 TRP 16 -2.891 7.363 3.866 110 H SER 17 H SER 17 -11.529 5.591 2.850 111 HA SER 17 HA SER 17 -11.147 6.084 5.500 112 1HB SER 17 1HB SER 17 -13.289 4.527 4.011 113 2HB SER 17 2HB SER 17 -13.386 4.770 5.743 114 HG SER 17 HG SER 17 -14.467 6.525 4.984 115 H GLU 18 H GLU 18 -11.091 2.964 3.693 116 HA GLU 18 HA GLU 18 -10.903 1.386 6.003 117 1HB GLU 18 1HB GLU 18 -11.688 0.260 4.086 118 2HB GLU 18 2HB GLU 18 -10.449 0.938 3.049 119 1HG GLU 18 1HG GLU 18 -9.913 -1.408 3.462 120 2HG GLU 18 2HG GLU 18 -8.713 -0.415 4.264 121 H ILE 19 H ILE 19 -8.529 2.918 3.786 122 HA ILE 19 HA ILE 19 -6.278 1.599 4.860 123 HB ILE 19 HB ILE 19 -6.404 4.252 3.427 124 1HG1 ILE 19 1HG1 ILE 19 -7.664 2.493 2.215 125 2HG1 ILE 19 2HG1 ILE 19 -6.252 3.064 1.347 126 1HG2 ILE 19 1HG2 ILE 19 -4.128 3.240 2.585 127 2HG2 ILE 19 2HG2 ILE 19 -4.229 4.099 4.141 128 3HG2 ILE 19 3HG2 ILE 19 -4.220 2.319 4.106 129 1HD1 ILE 19 1HD1 ILE 19 -4.955 1.086 2.262 130 2HD1 ILE 19 2HD1 ILE 19 -6.478 0.482 2.958 131 3HD1 ILE 19 3HD1 ILE 19 -6.305 0.636 1.193 132 H ARG 20 H ARG 20 -8.109 4.551 5.704 133 HA ARG 20 HA ARG 20 -6.150 5.502 7.466 134 1HB ARG 20 1HB ARG 20 -9.132 6.066 7.146 135 2HB ARG 20 2HB ARG 20 -8.166 6.886 8.357 136 1HG ARG 20 1HG ARG 20 -6.552 7.329 6.237 137 2HG ARG 20 2HG ARG 20 -8.052 7.119 5.355 138 1HD ARG 20 1HD ARG 20 -8.084 8.931 7.770 139 2HD ARG 20 2HD ARG 20 -7.306 9.521 6.315 140 HE ARG 20 HE ARG 20 -9.400 9.546 5.196 141 1HH1 ARG 20 1HH1 ARG 20 -9.692 8.070 8.377 142 2HH1 ARG 20 2HH1 ARG 20 -11.424 8.114 8.379 143 1HH2 ARG 20 1HH2 ARG 20 -11.684 9.605 5.199 144 2HH2 ARG 20 2HH2 ARG 20 -12.564 8.993 6.559 145 H SER 21 H SER 21 -8.710 3.088 7.642 146 HA SER 21 HA SER 21 -8.934 3.167 10.465 147 1HB SER 21 1HB SER 21 -10.334 1.975 8.296 148 2HB SER 21 2HB SER 21 -9.766 0.637 9.277 149 HG SER 21 HG SER 21 -11.913 2.051 9.752 150 H ARG 22 H ARG 22 -7.237 1.135 8.008 151 HA ARG 22 HA ARG 22 -6.312 -0.779 9.740 152 1HB ARG 22 1HB ARG 22 -4.842 0.305 7.286 153 2HB ARG 22 2HB ARG 22 -4.652 -1.291 7.985 154 1HG ARG 22 1HG ARG 22 -7.467 -0.860 7.466 155 2HG ARG 22 2HG ARG 22 -6.573 -0.428 6.023 156 1HD ARG 22 1HD ARG 22 -5.276 -2.717 6.508 157 2HD ARG 22 2HD ARG 22 -6.712 -3.101 7.436 158 HE ARG 22 HE ARG 22 -7.529 -2.084 4.886 159 1HH1 ARG 22 1HH1 ARG 22 -5.987 -4.916 6.295 160 2HH1 ARG 22 2HH1 ARG 22 -6.533 -5.990 5.051 161 1HH2 ARG 22 1HH2 ARG 22 -8.250 -3.501 3.245 162 2HH2 ARG 22 2HH2 ARG 22 -7.828 -5.180 3.304 163 H ALA 23 H ALA 23 -5.207 2.535 9.059 164 HA ALA 23 HA ALA 23 -2.647 2.204 10.276 165 1HB ALA 23 1HB ALA 23 -2.332 4.129 9.164 166 2HB ALA 23 2HB ALA 23 -4.055 4.148 8.717 167 3HB ALA 23 3HB ALA 23 -3.516 4.941 10.217 168 H HIS 24 H HIS 24 -5.933 3.201 11.287 169 HA HIS 24 HA HIS 24 -5.166 4.287 13.749 170 1HB HIS 24 1HB HIS 24 -7.433 4.291 12.334 171 2HB HIS 24 2HB HIS 24 -7.828 2.972 13.419 172 HD1 HIS 24 HD1 HIS 24 -9.704 4.579 14.425 173 HD2 HIS 24 HD2 HIS 24 -5.744 5.810 15.061 174 HE1 HIS 24 HE1 HIS 24 -9.794 6.362 16.247 175 H ASN 25 H ASN 25 -6.204 0.976 12.733 176 HA ASN 25 HA ASN 25 -6.090 -0.040 15.339 177 1HB ASN 25 1HB ASN 25 -6.911 -0.954 12.794 178 2HB ASN 25 2HB ASN 25 -5.568 -2.007 13.192 179 1HD2 ASN 25 1HD2 ASN 25 -8.532 -2.382 13.038 180 2HD2 ASN 25 2HD2 ASN 25 -9.002 -3.113 14.537 181 H LEU 26 H LEU 26 -3.778 0.484 12.686 182 HA LEU 26 HA LEU 26 -1.781 -1.234 13.874 183 1HB LEU 26 1HB LEU 26 -1.868 0.503 11.413 184 2HB LEU 26 2HB LEU 26 -0.404 -0.295 11.952 185 HG LEU 26 HG LEU 26 -2.980 -1.746 11.287 186 1HD1 LEU 26 1HD1 LEU 26 -1.359 -0.453 9.473 187 2HD1 LEU 26 2HD1 LEU 26 -0.723 -2.115 9.460 188 3HD1 LEU 26 3HD1 LEU 26 -2.445 -1.819 9.121 189 1HD2 LEU 26 1HD2 LEU 26 -0.205 -2.667 12.023 190 2HD2 LEU 26 2HD2 LEU 26 -1.769 -3.126 12.737 191 3HD2 LEU 26 3HD2 LEU 26 -1.329 -3.702 11.111 192 H SER 27 H SER 27 -3.061 1.718 14.667 193 HA SER 27 HA SER 27 -2.389 3.431 15.817 194 1HB SER 27 1HB SER 27 -1.548 1.549 17.312 195 2HB SER 27 2HB SER 27 0.041 1.768 16.606 196 HG SER 27 HG SER 27 -1.476 3.682 18.155 197 H VAL 28 H VAL 28 -1.891 3.931 13.257 198 HA VAL 28 HA VAL 28 0.643 5.346 13.337 199 HB VAL 28 HB VAL 28 1.075 4.531 10.962 200 1HG1 VAL 28 1HG1 VAL 28 2.580 3.876 12.674 201 2HG1 VAL 28 2HG1 VAL 28 1.400 2.752 13.391 202 3HG1 VAL 28 3HG1 VAL 28 2.141 2.379 11.816 203 1HG2 VAL 28 1HG2 VAL 28 -1.161 3.483 10.641 204 2HG2 VAL 28 2HG2 VAL 28 0.190 2.369 10.319 205 3HG2 VAL 28 3HG2 VAL 28 -0.721 2.247 11.844 206 H GLU 29 H GLU 29 0.665 7.205 11.958 207 HA GLU 29 HA GLU 29 -2.014 7.852 11.006 208 1HB GLU 29 1HB GLU 29 -1.103 9.258 12.887 209 2HB GLU 29 2HB GLU 29 0.212 9.762 11.845 210 1HG GLU 29 1HG GLU 29 -2.045 10.245 10.262 211 2HG GLU 29 2HG GLU 29 -2.609 10.651 11.870 212 H ILE 30 H ILE 30 -2.308 8.526 8.869 213 HA ILE 30 HA ILE 30 0.082 9.036 7.288 214 HB ILE 30 HB ILE 30 -0.601 7.482 5.553 215 1HG1 ILE 30 1HG1 ILE 30 -2.815 6.731 7.477 216 2HG1 ILE 30 2HG1 ILE 30 -2.982 7.393 5.864 217 1HG2 ILE 30 1HG2 ILE 30 -0.490 5.775 8.005 218 2HG2 ILE 30 2HG2 ILE 30 0.412 5.651 6.476 219 3HG2 ILE 30 3HG2 ILE 30 0.856 6.891 7.672 220 1HD1 ILE 30 1HD1 ILE 30 -1.317 4.996 5.794 221 2HD1 ILE 30 2HD1 ILE 30 -2.881 4.658 6.574 222 3HD1 ILE 30 3HD1 ILE 30 -2.834 5.335 4.928 223 H LYS 31 H LYS 31 -0.535 9.951 5.089 224 HA LYS 31 HA LYS 31 -3.036 11.464 5.389 225 1HB LYS 31 1HB LYS 31 -0.278 12.274 4.611 226 2HB LYS 31 2HB LYS 31 -1.595 13.015 3.724 227 1HG LYS 31 1HG LYS 31 -1.519 12.906 6.772 228 2HG LYS 31 2HG LYS 31 -0.845 14.239 5.857 229 1HD LYS 31 1HD LYS 31 -2.911 15.172 5.813 230 2HD LYS 31 2HD LYS 31 -3.422 13.874 4.753 231 1HE LYS 31 1HE LYS 31 -4.733 12.987 6.380 232 2HE LYS 31 2HE LYS 31 -3.371 12.875 7.477 233 1HZ LYS 31 1HZ LYS 31 -3.990 14.729 8.501 234 2HZ LYS 31 2HZ LYS 31 -4.349 15.533 7.127 235 3HZ LYS 31 3HZ LYS 31 -5.445 14.520 7.790 236 H LYS 32 H LYS 32 -3.947 12.196 3.193 237 HA LYS 32 HA LYS 32 -3.927 9.843 1.479 238 1HB LYS 32 1HB LYS 32 -6.122 10.300 1.918 239 2HB LYS 32 2HB LYS 32 -5.857 12.022 2.103 240 1HG LYS 32 1HG LYS 32 -5.500 12.206 -0.388 241 2HG LYS 32 2HG LYS 32 -5.847 10.496 -0.544 242 1HD LYS 32 1HD LYS 32 -8.003 11.518 0.981 243 2HD LYS 32 2HD LYS 32 -7.707 12.745 -0.235 244 1HE LYS 32 1HE LYS 32 -8.248 9.781 -0.730 245 2HE LYS 32 2HE LYS 32 -9.306 11.120 -1.129 246 1HZ LYS 32 1HZ LYS 32 -6.631 11.188 -2.225 247 2HZ LYS 32 2HZ LYS 32 -7.665 10.095 -2.859 248 3HZ LYS 32 3HZ LYS 32 -8.040 11.684 -2.887 249 H GLY 33 H GLY 33 -2.439 12.908 1.759 250 1HA GLY 33 1HA GLY 33 -2.316 13.502 -1.063 251 2HA GLY 33 2HA GLY 33 -1.500 14.331 0.248 252 HA PRO 34 HA PRO 34 2.069 11.876 -0.306 253 1HB PRO 34 1HB PRO 34 2.696 10.624 2.041 254 2HB PRO 34 2HB PRO 34 3.007 12.324 1.748 255 1HG PRO 34 1HG PRO 34 0.896 11.085 3.405 256 2HG PRO 34 2HG PRO 34 1.487 12.735 3.433 257 1HD PRO 34 1HD PRO 34 -0.964 11.808 2.265 258 2HD PRO 34 2HD PRO 34 -0.317 13.436 2.192 259 H TRP 35 H TRP 35 -0.357 9.883 1.246 260 HA TRP 35 HA TRP 35 0.645 7.413 0.673 261 1HB TRP 35 1HB TRP 35 -1.285 7.609 2.010 262 2HB TRP 35 2HB TRP 35 -2.174 8.465 0.766 263 HD1 TRP 35 HD1 TRP 35 -3.015 6.897 -1.391 264 HE1 TRP 35 HE1 TRP 35 -3.684 4.352 -1.591 265 HE3 TRP 35 HE3 TRP 35 -0.736 5.419 2.907 266 HZ2 TRP 35 HZ2 TRP 35 -3.195 2.058 0.034 267 HZ3 TRP 35 HZ3 TRP 35 -0.879 3.009 3.528 268 HH2 TRP 35 HH2 TRP 35 -2.056 1.351 2.170 269 H ARG 36 H ARG 36 -1.051 9.771 -1.455 270 HA ARG 36 HA ARG 36 -1.194 7.969 -3.609 271 1HB ARG 36 1HB ARG 36 -2.509 10.244 -3.063 272 2HB ARG 36 2HB ARG 36 -1.217 10.973 -3.996 273 1HG ARG 36 1HG ARG 36 -2.241 10.349 -5.916 274 2HG ARG 36 2HG ARG 36 -2.078 8.664 -5.462 275 1HD ARG 36 1HD ARG 36 -4.355 8.609 -5.366 276 2HD ARG 36 2HD ARG 36 -4.212 9.504 -3.866 277 HE ARG 36 HE ARG 36 -5.099 11.357 -4.962 278 1HH1 ARG 36 1HH1 ARG 36 -3.612 9.254 -7.360 279 2HH1 ARG 36 2HH1 ARG 36 -4.105 10.227 -8.706 280 1HH2 ARG 36 1HH2 ARG 36 -5.749 12.641 -6.737 281 2HH2 ARG 36 2HH2 ARG 36 -5.329 12.166 -8.349 282 H THR 37 H THR 37 0.919 10.796 -2.755 283 HA THR 37 HA THR 37 2.486 10.787 -5.050 284 HB THR 37 HB THR 37 2.916 11.636 -2.150 285 HG1 THR 37 HG1 THR 37 1.967 13.413 -3.074 286 1HG2 THR 37 1HG2 THR 37 4.616 12.971 -4.121 287 2HG2 THR 37 2HG2 THR 37 5.085 12.220 -2.577 288 3HG2 THR 37 3HG2 THR 37 4.997 11.233 -4.056 289 H PHE 38 H PHE 38 3.025 9.063 -1.910 290 HA PHE 38 HA PHE 38 5.423 7.901 -2.618 291 1HB PHE 38 1HB PHE 38 3.032 7.049 -0.891 292 2HB PHE 38 2HB PHE 38 4.515 6.117 -0.906 293 HD1 PHE 38 HD1 PHE 38 2.981 7.877 1.295 294 HD2 PHE 38 HD2 PHE 38 6.510 8.350 -1.013 295 HE1 PHE 38 HE1 PHE 38 3.940 9.374 3.067 296 HE2 PHE 38 HE2 PHE 38 7.469 9.846 0.759 297 HZ PHE 38 HZ PHE 38 6.172 10.341 2.778 298 H CYS 39 H CYS 39 2.071 7.019 -3.469 299 HA CYS 39 HA CYS 39 3.050 4.563 -4.687 300 1HB CYS 39 1HB CYS 39 0.921 4.756 -3.173 301 2HB CYS 39 2HB CYS 39 0.153 5.387 -4.616 302 HG CYS 39 HG CYS 39 0.761 3.411 -6.196 303 H ALA 40 H ALA 40 3.261 7.644 -5.497 304 HA ALA 40 HA ALA 40 1.945 7.486 -8.094 305 1HB ALA 40 1HB ALA 40 3.468 9.772 -6.781 306 2HB ALA 40 2HB ALA 40 2.431 9.866 -8.225 307 3HB ALA 40 3HB ALA 40 1.713 9.512 -6.635 308 H SER 41 H SER 41 5.190 8.563 -6.844 309 HA SER 41 HA SER 41 6.401 6.905 -8.864 310 1HB SER 41 1HB SER 41 6.043 9.717 -9.247 311 2HB SER 41 2HB SER 41 7.745 9.477 -8.902 312 HG SER 41 HG SER 41 7.540 7.644 -10.575 313 H GLU 42 H GLU 42 6.274 6.607 -6.028 314 HA GLU 42 HA GLU 42 8.994 7.359 -5.287 315 1HB GLU 42 1HB GLU 42 6.948 8.300 -3.956 316 2HB GLU 42 2HB GLU 42 6.808 6.684 -3.294 317 1HG GLU 42 1HG GLU 42 8.235 7.616 -1.714 318 2HG GLU 42 2HG GLU 42 9.426 6.982 -2.832 319 H TRP 43 H TRP 43 6.403 4.848 -4.904 320 HA TRP 43 HA TRP 43 8.276 2.912 -3.941 321 1HB TRP 43 1HB TRP 43 5.368 2.834 -4.719 322 2HB TRP 43 2HB TRP 43 6.256 1.380 -4.312 323 HD1 TRP 43 HD1 TRP 43 7.934 3.129 -1.895 324 HE1 TRP 43 HE1 TRP 43 6.768 3.445 0.451 325 HE3 TRP 43 HE3 TRP 43 3.211 2.189 -3.528 326 HZ2 TRP 43 HZ2 TRP 43 4.062 3.271 1.341 327 HZ3 TRP 43 HZ3 TRP 43 1.364 2.282 -1.856 328 HH2 TRP 43 HH2 TRP 43 1.729 2.800 0.505 329 HA PRO 44 HA PRO 44 7.690 1.566 -8.466 330 1HB PRO 44 1HB PRO 44 6.657 3.350 -10.260 331 2HB PRO 44 2HB PRO 44 5.694 2.114 -9.475 332 1HG PRO 44 1HG PRO 44 5.782 5.018 -8.931 333 2HG PRO 44 2HG PRO 44 4.555 3.853 -8.475 334 1HD PRO 44 1HD PRO 44 6.567 4.983 -6.771 335 2HD PRO 44 2HD PRO 44 5.415 3.733 -6.346 336 H THR 45 H THR 45 9.154 4.132 -7.166 337 HA THR 45 HA THR 45 10.974 4.364 -9.473 338 HB THR 45 HB THR 45 11.519 6.615 -8.327 339 HG1 THR 45 HG1 THR 45 10.531 6.676 -6.345 340 1HG2 THR 45 1HG2 THR 45 9.755 6.285 -10.250 341 2HG2 THR 45 2HG2 THR 45 8.545 6.407 -8.950 342 3HG2 THR 45 3HG2 THR 45 9.648 7.767 -9.270 343 H PHE 46 H PHE 46 10.809 2.302 -7.212 344 HA PHE 46 HA PHE 46 13.362 2.909 -5.925 345 1HB PHE 46 1HB PHE 46 10.985 1.041 -5.476 346 2HB PHE 46 2HB PHE 46 12.513 0.671 -4.702 347 HD1 PHE 46 HD1 PHE 46 10.930 0.873 -2.655 348 HD2 PHE 46 HD2 PHE 46 12.119 4.174 -5.043 349 HE1 PHE 46 HE1 PHE 46 10.357 2.438 -0.778 350 HE2 PHE 46 HE2 PHE 46 11.546 5.738 -3.166 351 HZ PHE 46 HZ PHE 46 10.672 4.852 -1.056 352 H ASP 47 H ASP 47 12.029 1.215 -8.588 353 HA ASP 47 HA ASP 47 12.866 -0.191 -10.011 354 1HB ASP 47 1HB ASP 47 15.482 -0.004 -8.443 355 2HB ASP 47 2HB ASP 47 15.312 -0.651 -10.063 356 H VAL 48 H VAL 48 11.401 -1.798 -8.908 357 HA VAL 48 HA VAL 48 12.931 -4.044 -7.930 358 HB VAL 48 HB VAL 48 11.210 -4.245 -6.013 359 1HG1 VAL 48 1HG1 VAL 48 13.625 -3.952 -5.689 360 2HG1 VAL 48 2HG1 VAL 48 13.444 -2.191 -5.875 361 3HG1 VAL 48 3HG1 VAL 48 12.699 -3.020 -4.488 362 1HG2 VAL 48 1HG2 VAL 48 10.579 -1.605 -7.056 363 2HG2 VAL 48 2HG2 VAL 48 9.713 -2.593 -5.855 364 3HG2 VAL 48 3HG2 VAL 48 11.047 -1.532 -5.340 365 H GLY 49 H GLY 49 9.469 -2.926 -7.944 366 1HA GLY 49 1HA GLY 49 8.701 -4.303 -10.242 367 2HA GLY 49 2HA GLY 49 8.489 -5.398 -8.891 368 H TRP 50 H TRP 50 8.221 -1.827 -8.650 369 HA TRP 50 HA TRP 50 5.395 -2.213 -7.960 370 1HB TRP 50 1HB TRP 50 6.961 -1.308 -6.225 371 2HB TRP 50 2HB TRP 50 7.207 0.096 -7.243 372 HD1 TRP 50 HD1 TRP 50 5.152 1.873 -7.382 373 HE1 TRP 50 HE1 TRP 50 2.989 2.333 -5.943 374 HE3 TRP 50 HE3 TRP 50 5.216 -2.569 -4.909 375 HZ2 TRP 50 HZ2 TRP 50 1.579 0.821 -3.976 376 HZ3 TRP 50 HZ3 TRP 50 3.410 -2.998 -3.245 377 HH2 TRP 50 HH2 TRP 50 1.634 -1.390 -2.763 378 HA PRO 51 HA PRO 51 4.805 -0.144 -11.797 379 1HB PRO 51 1HB PRO 51 2.101 -0.500 -11.958 380 2HB PRO 51 2HB PRO 51 3.259 -1.690 -12.518 381 1HG PRO 51 1HG PRO 51 1.596 -1.728 -10.074 382 2HG PRO 51 2HG PRO 51 2.421 -3.059 -10.862 383 1HD PRO 51 1HD PRO 51 3.253 -1.693 -8.480 384 2HD PRO 51 2HD PRO 51 4.134 -2.945 -9.333 385 HA PRO 52 HA PRO 52 3.471 3.769 -10.839 386 1HB PRO 52 1HB PRO 52 2.362 4.721 -13.148 387 2HB PRO 52 2HB PRO 52 4.091 4.649 -12.875 388 1HG PRO 52 1HG PRO 52 2.408 2.905 -14.567 389 2HG PRO 52 2HG PRO 52 4.146 3.125 -14.606 390 1HD PRO 52 1HD PRO 52 2.723 0.900 -13.489 391 2HD PRO 52 2HD PRO 52 4.452 1.177 -13.425 392 H GLU 53 H GLU 53 1.332 1.351 -11.229 393 HA GLU 53 HA GLU 53 -0.841 3.148 -10.477 394 1HB GLU 53 1HB GLU 53 -0.928 0.488 -11.962 395 2HB GLU 53 2HB GLU 53 -2.359 1.275 -11.324 396 1HG GLU 53 1HG GLU 53 -2.142 1.913 -13.660 397 2HG GLU 53 2HG GLU 53 -1.796 3.328 -12.685 398 H GLY 54 H GLY 54 1.376 0.821 -9.397 399 1HA GLY 54 1HA GLY 54 1.552 0.100 -7.213 400 2HA GLY 54 2HA GLY 54 -0.147 0.434 -6.942 401 H THR 55 H THR 55 0.897 -1.971 -6.028 402 HA THR 55 HA THR 55 -0.664 -3.842 -7.580 403 HB THR 55 HB THR 55 1.995 -3.605 -8.277 404 HG1 THR 55 HG1 THR 55 0.455 -6.081 -7.953 405 1HG2 THR 55 1HG2 THR 55 1.828 -6.039 -6.445 406 2HG2 THR 55 2HG2 THR 55 3.260 -5.390 -7.281 407 3HG2 THR 55 3HG2 THR 55 2.565 -4.514 -5.896 408 H PHE 56 H PHE 56 -1.287 -5.701 -6.398 409 HA PHE 56 HA PHE 56 -0.929 -5.295 -3.527 410 1HB PHE 56 1HB PHE 56 -2.912 -6.760 -5.354 411 2HB PHE 56 2HB PHE 56 -2.919 -7.034 -3.623 412 HD1 PHE 56 HD1 PHE 56 -2.671 -4.510 -2.374 413 HD2 PHE 56 HD2 PHE 56 -4.673 -5.435 -5.999 414 HE1 PHE 56 HE1 PHE 56 -4.157 -2.511 -2.064 415 HE2 PHE 56 HE2 PHE 56 -6.159 -3.436 -5.689 416 HZ PHE 56 HZ PHE 56 -5.883 -1.998 -3.725 417 H ASP 57 H ASP 57 1.366 -6.320 -4.583 418 HA ASP 57 HA ASP 57 1.100 -9.192 -4.205 419 1HB ASP 57 1HB ASP 57 2.148 -8.634 -6.320 420 2HB ASP 57 2HB ASP 57 3.207 -7.462 -5.562 421 H LEU 58 H LEU 58 1.590 -9.759 -2.076 422 HA LEU 58 HA LEU 58 2.847 -8.088 -0.267 423 1HB LEU 58 1HB LEU 58 1.435 -10.351 -0.107 424 2HB LEU 58 2HB LEU 58 3.037 -11.033 0.090 425 HG LEU 58 HG LEU 58 1.385 -9.699 2.014 426 1HD1 LEU 58 1HD1 LEU 58 2.486 -11.740 2.530 427 2HD1 LEU 58 2HD1 LEU 58 4.082 -11.065 2.121 428 3HD1 LEU 58 3HD1 LEU 58 3.213 -10.485 3.562 429 1HD2 LEU 58 1HD2 LEU 58 3.974 -8.293 1.365 430 2HD2 LEU 58 2HD2 LEU 58 2.350 -7.604 1.603 431 3HD2 LEU 58 3HD2 LEU 58 3.256 -8.250 2.993 432 H THR 59 H THR 59 4.154 -10.275 -2.720 433 HA THR 59 HA THR 59 6.734 -10.553 -1.625 434 HB THR 59 HB THR 59 5.854 -10.593 -4.558 435 HG1 THR 59 HG1 THR 59 5.369 -12.853 -3.946 436 1HG2 THR 59 1HG2 THR 59 8.253 -10.935 -4.399 437 2HG2 THR 59 2HG2 THR 59 8.071 -11.948 -2.946 438 3HG2 THR 59 3HG2 THR 59 7.530 -12.556 -4.529 439 H VAL 60 H VAL 60 5.455 -8.269 -4.137 440 HA VAL 60 HA VAL 60 7.903 -6.861 -4.270 441 HB VAL 60 HB VAL 60 5.828 -7.080 -5.887 442 1HG1 VAL 60 1HG1 VAL 60 4.543 -4.900 -5.874 443 2HG1 VAL 60 2HG1 VAL 60 4.148 -6.030 -4.557 444 3HG1 VAL 60 3HG1 VAL 60 5.186 -4.619 -4.239 445 1HG2 VAL 60 1HG2 VAL 60 7.469 -6.037 -7.014 446 2HG2 VAL 60 2HG2 VAL 60 6.626 -4.531 -6.577 447 3HG2 VAL 60 3HG2 VAL 60 7.987 -5.110 -5.586 448 H ILE 61 H ILE 61 4.794 -6.391 -2.497 449 HA ILE 61 HA ILE 61 5.321 -3.894 -1.459 450 HB ILE 61 HB ILE 61 3.722 -6.241 -0.477 451 1HG1 ILE 61 1HG1 ILE 61 2.747 -3.550 -1.441 452 2HG1 ILE 61 2HG1 ILE 61 3.117 -4.850 -2.557 453 1HG2 ILE 61 1HG2 ILE 61 2.772 -4.908 1.271 454 2HG2 ILE 61 2HG2 ILE 61 4.541 -4.906 1.470 455 3HG2 ILE 61 3HG2 ILE 61 3.721 -3.486 0.778 456 1HD1 ILE 61 1HD1 ILE 61 0.762 -5.009 -2.056 457 2HD1 ILE 61 2HD1 ILE 61 1.555 -6.346 -1.191 458 3HD1 ILE 61 3HD1 ILE 61 1.062 -4.882 -0.306 459 H PHE 62 H PHE 62 6.451 -7.137 -0.428 460 HA PHE 62 HA PHE 62 7.554 -6.261 2.008 461 1HB PHE 62 1HB PHE 62 7.480 -8.622 0.193 462 2HB PHE 62 2HB PHE 62 9.018 -8.490 1.023 463 HD1 PHE 62 HD1 PHE 62 8.930 -10.267 2.539 464 HD2 PHE 62 HD2 PHE 62 5.662 -7.567 2.326 465 HE1 PHE 62 HE1 PHE 62 7.921 -11.326 4.579 466 HE2 PHE 62 HE2 PHE 62 4.654 -8.627 4.366 467 HZ PHE 62 HZ PHE 62 5.795 -10.494 5.468 468 H GLU 63 H GLU 63 8.622 -6.108 -1.355 469 HA GLU 63 HA GLU 63 11.363 -5.828 -0.688 470 1HB GLU 63 1HB GLU 63 9.710 -5.555 -3.202 471 2HB GLU 63 2HB GLU 63 11.350 -4.938 -3.193 472 1HG GLU 63 1HG GLU 63 11.013 -7.681 -2.049 473 2HG GLU 63 2HG GLU 63 10.693 -7.543 -3.767 474 H VAL 64 H VAL 64 8.736 -3.585 -1.813 475 HA VAL 64 HA VAL 64 10.330 -1.280 -1.670 476 HB VAL 64 HB VAL 64 7.406 -1.901 -1.824 477 1HG1 VAL 64 1HG1 VAL 64 8.626 0.783 -1.168 478 2HG1 VAL 64 2HG1 VAL 64 7.088 0.651 -2.055 479 3HG1 VAL 64 3HG1 VAL 64 7.233 -0.032 -0.417 480 1HG2 VAL 64 1HG2 VAL 64 7.783 -0.342 -3.888 481 2HG2 VAL 64 2HG2 VAL 64 9.507 -0.680 -3.601 482 3HG2 VAL 64 3HG2 VAL 64 8.380 -2.018 -3.930 483 H LYS 65 H LYS 65 8.221 -2.995 0.682 484 HA LYS 65 HA LYS 65 8.250 -1.004 2.639 485 1HB LYS 65 1HB LYS 65 6.615 -2.721 2.757 486 2HB LYS 65 2HB LYS 65 7.819 -3.994 2.717 487 1HG LYS 65 1HG LYS 65 8.736 -2.917 4.927 488 2HG LYS 65 2HG LYS 65 7.203 -2.069 4.988 489 1HD LYS 65 1HD LYS 65 6.751 -4.895 4.406 490 2HD LYS 65 2HD LYS 65 7.740 -4.734 5.843 491 1HE LYS 65 1HE LYS 65 6.078 -3.572 7.035 492 2HE LYS 65 2HE LYS 65 5.320 -2.947 5.585 493 1HZ LYS 65 1HZ LYS 65 4.615 -5.231 5.101 494 2HZ LYS 65 2HZ LYS 65 5.219 -5.723 6.536 495 3HZ LYS 65 3HZ LYS 65 3.982 -4.658 6.493 496 H ALA 66 H ALA 66 10.345 -3.935 2.195 497 HA ALA 66 HA ALA 66 11.963 -3.573 4.375 498 1HB ALA 66 1HB ALA 66 13.657 -4.537 2.396 499 2HB ALA 66 2HB ALA 66 12.566 -5.521 3.401 500 3HB ALA 66 3HB ALA 66 12.041 -4.975 1.791 501 H ILE 67 H ILE 67 11.991 -1.924 1.192 502 HA ILE 67 HA ILE 67 14.481 -0.681 1.511 503 HB ILE 67 HB ILE 67 12.043 -0.129 -0.156 504 1HG1 ILE 67 1HG1 ILE 67 14.810 -0.850 -1.105 505 2HG1 ILE 67 2HG1 ILE 67 13.719 -2.088 -0.515 506 1HG2 ILE 67 1HG2 ILE 67 14.593 1.495 -0.023 507 2HG2 ILE 67 2HG2 ILE 67 13.459 1.535 -1.394 508 3HG2 ILE 67 3HG2 ILE 67 12.921 2.054 0.222 509 1HD1 ILE 67 1HD1 ILE 67 13.736 -1.407 -3.090 510 2HD1 ILE 67 2HD1 ILE 67 12.206 -1.805 -2.273 511 3HD1 ILE 67 3HD1 ILE 67 12.663 -0.104 -2.528 512 H VAL 68 H VAL 68 11.105 0.488 2.161 513 HA VAL 68 HA VAL 68 11.994 2.929 3.264 514 HB VAL 68 HB VAL 68 9.768 3.371 3.609 515 1HG1 VAL 68 1HG1 VAL 68 10.449 2.207 1.226 516 2HG1 VAL 68 2HG1 VAL 68 9.026 1.248 1.698 517 3HG1 VAL 68 3HG1 VAL 68 8.900 3.018 1.558 518 1HG2 VAL 68 1HG2 VAL 68 8.676 2.030 5.031 519 2HG2 VAL 68 2HG2 VAL 68 8.250 1.037 3.616 520 3HG2 VAL 68 3HG2 VAL 68 9.677 0.624 4.597 521 H PHE 69 H PHE 69 11.655 -0.366 4.474 522 HA PHE 69 HA PHE 69 11.936 0.598 7.215 523 1HB PHE 69 1HB PHE 69 11.112 -1.940 5.755 524 2HB PHE 69 2HB PHE 69 11.747 -2.119 7.378 525 HD1 PHE 69 HD1 PHE 69 8.937 -0.989 5.371 526 HD2 PHE 69 HD2 PHE 69 10.536 -1.162 9.298 527 HE1 PHE 69 HE1 PHE 69 6.673 -0.459 6.317 528 HE2 PHE 69 HE2 PHE 69 8.272 -0.632 10.244 529 HZ PHE 69 HZ PHE 69 6.367 -0.287 8.741 530 H GLN 70 H GLN 70 14.135 0.780 5.183 531 HA GLN 70 HA GLN 70 15.915 -1.331 5.902 532 1HB GLN 70 1HB GLN 70 17.428 -0.357 4.322 533 2HB GLN 70 2HB GLN 70 15.830 -0.177 3.627 534 1HG GLN 70 1HG GLN 70 15.718 2.171 4.486 535 2HG GLN 70 2HG GLN 70 17.314 1.992 5.187 536 1HE2 GLN 70 1HE2 GLN 70 15.460 2.025 2.201 537 2HE2 GLN 70 2HE2 GLN 70 16.749 2.447 1.123 538 H ASP 71 H ASP 71 18.393 -0.103 6.225 539 HA ASP 71 HA ASP 71 17.964 1.212 8.781 540 1HB ASP 71 1HB ASP 71 19.318 -0.686 9.147 541 2HB ASP 71 2HB ASP 71 20.148 -0.517 7.613 542 H GLY 72 H GLY 72 19.078 3.230 9.212 543 1HA GLY 72 1HA GLY 72 20.700 4.862 8.676 544 2HA GLY 72 2HA GLY 72 20.655 4.362 6.997 545 HA PRO 73 HA PRO 73 17.854 7.946 7.526 546 1HB PRO 73 1HB PRO 73 19.189 9.762 5.981 547 2HB PRO 73 2HB PRO 73 19.356 9.680 7.724 548 1HG PRO 73 1HG PRO 73 21.246 8.781 5.636 549 2HG PRO 73 2HG PRO 73 21.553 9.100 7.332 550 1HD PRO 73 1HD PRO 73 21.281 6.528 6.091 551 2HD PRO 73 2HD PRO 73 21.472 6.851 7.803 552 H GLY 74 H GLY 74 18.913 5.898 5.187 553 1HA GLY 74 1HA GLY 74 17.592 7.049 2.931 554 2HA GLY 74 2HA GLY 74 18.216 5.419 3.091 555 H SER 75 H SER 75 16.675 4.895 5.635 556 HA SER 75 HA SER 75 14.471 3.733 4.483 557 1HB SER 75 1HB SER 75 13.664 3.722 7.004 558 2HB SER 75 2HB SER 75 15.057 2.777 6.520 559 HG SER 75 HG SER 75 15.922 3.858 8.196 560 H HIS 76 H HIS 76 12.094 4.191 5.237 561 HA HIS 76 HA HIS 76 11.669 7.081 5.391 562 1HB HIS 76 1HB HIS 76 9.843 5.361 3.742 563 2HB HIS 76 2HB HIS 76 10.104 7.093 3.672 564 HD1 HIS 76 HD1 HIS 76 12.689 7.760 2.796 565 HD2 HIS 76 HD2 HIS 76 11.150 3.994 1.771 566 HE1 HIS 76 HE1 HIS 76 14.072 6.937 0.816 567 HA PRO 77 HA PRO 77 9.354 5.265 8.709 568 1HB PRO 77 1HB PRO 77 9.492 7.417 10.389 569 2HB PRO 77 2HB PRO 77 10.689 6.137 10.371 570 1HG PRO 77 1HG PRO 77 10.894 8.880 9.290 571 2HG PRO 77 2HG PRO 77 12.179 7.749 9.664 572 1HD PRO 77 1HD PRO 77 11.166 8.397 7.060 573 2HD PRO 77 2HD PRO 77 12.370 7.182 7.444 574 H ASP 78 H ASP 78 8.762 7.728 6.573 575 HA ASP 78 HA ASP 78 6.276 8.466 7.773 576 1HB ASP 78 1HB ASP 78 8.043 9.639 5.944 577 2HB ASP 78 2HB ASP 78 6.700 9.162 4.926 578 H GLN 79 H GLN 79 7.571 6.512 5.030 579 HA GLN 79 HA GLN 79 4.911 5.841 4.181 580 1HB GLN 79 1HB GLN 79 7.668 5.035 3.162 581 2HB GLN 79 2HB GLN 79 6.174 4.462 2.448 582 1HG GLN 79 1HG GLN 79 5.931 6.389 1.277 583 2HG GLN 79 2HG GLN 79 6.003 7.340 2.747 584 1HE2 GLN 79 1HE2 GLN 79 7.953 5.679 0.315 585 2HE2 GLN 79 2HE2 GLN 79 9.361 6.682 0.420 586 H GLN 80 H GLN 80 7.285 4.711 6.419 587 HA GLN 80 HA GLN 80 7.124 2.021 6.270 588 1HB GLN 80 1HB GLN 80 7.679 4.017 8.378 589 2HB GLN 80 2HB GLN 80 7.086 2.497 9.018 590 1HG GLN 80 1HG GLN 80 8.858 1.241 7.943 591 2HG GLN 80 2HG GLN 80 9.330 2.612 6.959 592 1HE2 GLN 80 1HE2 GLN 80 11.405 2.726 7.644 593 2HE2 GLN 80 2HE2 GLN 80 11.895 3.194 9.238 594 HA PRO 81 HA PRO 81 3.075 2.229 8.744 595 1HB PRO 81 1HB PRO 81 1.776 4.618 9.015 596 2HB PRO 81 2HB PRO 81 2.847 3.965 10.239 597 1HG PRO 81 1HG PRO 81 3.338 6.171 8.333 598 2HG PRO 81 2HG PRO 81 4.195 5.787 9.813 599 1HD PRO 81 1HD PRO 81 5.076 5.264 7.134 600 2HD PRO 81 2HD PRO 81 5.878 4.778 8.614 601 H TYR 82 H TYR 82 3.514 4.084 5.902 602 HA TYR 82 HA TYR 82 0.821 3.785 5.004 603 1HB TYR 82 1HB TYR 82 3.566 4.511 3.832 604 2HB TYR 82 2HB TYR 82 2.148 4.456 2.804 605 HD1 TYR 82 HD1 TYR 82 2.744 5.818 6.257 606 HD2 TYR 82 HD2 TYR 82 1.484 6.605 2.245 607 HE1 TYR 82 HE1 TYR 82 2.182 8.213 6.896 608 HE2 TYR 82 HE2 TYR 82 0.926 8.998 2.898 609 HH TYR 82 HH TYR 82 2.074 10.477 5.469 610 H ILE 83 H ILE 83 3.996 2.224 4.184 611 HA ILE 83 HA ILE 83 2.840 0.450 2.322 612 HB ILE 83 HB ILE 83 5.186 1.152 2.313 613 1HG1 ILE 83 1HG1 ILE 83 6.153 -1.039 1.783 614 2HG1 ILE 83 2HG1 ILE 83 4.834 -1.846 2.608 615 1HG2 ILE 83 1HG2 ILE 83 6.589 -0.399 4.015 616 2HG2 ILE 83 2HG2 ILE 83 6.112 1.279 4.366 617 3HG2 ILE 83 3HG2 ILE 83 5.150 -0.073 5.010 618 1HD1 ILE 83 1HD1 ILE 83 3.319 -1.421 0.917 619 2HD1 ILE 83 2HD1 ILE 83 4.050 0.152 0.517 620 3HD1 ILE 83 3HD1 ILE 83 4.808 -1.353 -0.057 621 H THR 84 H THR 84 3.298 0.430 5.848 622 HA THR 84 HA THR 84 3.047 -2.278 6.346 623 HB THR 84 HB THR 84 2.303 0.274 7.834 624 HG1 THR 84 HG1 THR 84 4.431 -0.095 8.303 625 1HG2 THR 84 1HG2 THR 84 1.657 -2.570 8.528 626 2HG2 THR 84 2HG2 THR 84 2.501 -1.642 9.791 627 3HG2 THR 84 3HG2 THR 84 0.942 -1.065 9.154 628 H VAL 85 H VAL 85 0.474 0.189 5.796 629 HA VAL 85 HA VAL 85 -1.643 -1.580 6.312 630 HB VAL 85 HB VAL 85 -1.353 1.016 4.813 631 1HG1 VAL 85 1HG1 VAL 85 -4.083 0.650 5.302 632 2HG1 VAL 85 2HG1 VAL 85 -3.262 0.613 3.723 633 3HG1 VAL 85 3HG1 VAL 85 -3.535 -0.900 4.620 634 1HG2 VAL 85 1HG2 VAL 85 -1.313 1.648 6.992 635 2HG2 VAL 85 2HG2 VAL 85 -3.080 1.484 6.843 636 3HG2 VAL 85 3HG2 VAL 85 -2.119 0.163 7.553 637 H TRP 86 H TRP 86 0.165 -0.681 3.322 638 HA TRP 86 HA TRP 86 -1.420 -1.960 1.477 639 1HB TRP 86 1HB TRP 86 1.484 -1.274 1.641 640 2HB TRP 86 2HB TRP 86 0.938 -2.316 0.342 641 HD1 TRP 86 HD1 TRP 86 0.619 1.319 1.567 642 HE1 TRP 86 HE1 TRP 86 -0.364 2.884 -0.316 643 HE3 TRP 86 HE3 TRP 86 -0.545 -2.425 -1.671 644 HZ2 TRP 86 HZ2 TRP 86 -1.493 2.393 -2.890 645 HZ3 TRP 86 HZ3 TRP 86 -1.585 -1.796 -3.847 646 HH2 TRP 86 HH2 TRP 86 -2.060 0.517 -4.478 647 H GLN 87 H GLN 87 1.365 -3.243 3.428 648 HA GLN 87 HA GLN 87 1.318 -5.783 2.424 649 1HB GLN 87 1HB GLN 87 3.159 -5.090 3.793 650 2HB GLN 87 2HB GLN 87 2.114 -4.674 5.137 651 1HG GLN 87 1HG GLN 87 1.886 -7.506 4.241 652 2HG GLN 87 2HG GLN 87 3.463 -7.076 4.874 653 1HE2 GLN 87 1HE2 GLN 87 3.760 -7.115 6.972 654 2HE2 GLN 87 2HE2 GLN 87 2.538 -7.125 8.199 655 H ASP 88 H ASP 88 -0.706 -4.248 4.948 656 HA ASP 88 HA ASP 88 -1.816 -6.668 5.839 657 1HB ASP 88 1HB ASP 88 -1.801 -4.088 6.751 658 2HB ASP 88 2HB ASP 88 -3.400 -4.128 6.036 659 H LEU 89 H LEU 89 -2.574 -4.203 3.344 660 HA LEU 89 HA LEU 89 -5.202 -4.932 2.807 661 1HB LEU 89 1HB LEU 89 -3.020 -3.516 1.350 662 2HB LEU 89 2HB LEU 89 -4.429 -4.023 0.438 663 HG LEU 89 HG LEU 89 -4.716 -2.415 2.974 664 1HD1 LEU 89 1HD1 LEU 89 -3.874 -0.579 2.063 665 2HD1 LEU 89 2HD1 LEU 89 -3.372 -1.525 0.641 666 3HD1 LEU 89 3HD1 LEU 89 -4.968 -0.738 0.667 667 1HD2 LEU 89 1HD2 LEU 89 -6.633 -3.660 1.694 668 2HD2 LEU 89 2HD2 LEU 89 -6.881 -2.008 2.309 669 3HD2 LEU 89 3HD2 LEU 89 -6.523 -2.273 0.585 670 H VAL 90 H VAL 90 -2.115 -6.009 1.223 671 HA VAL 90 HA VAL 90 -3.390 -7.873 -0.441 672 HB VAL 90 HB VAL 90 -1.147 -8.703 -0.839 673 1HG1 VAL 90 1HG1 VAL 90 -0.839 -5.717 -0.546 674 2HG1 VAL 90 2HG1 VAL 90 -0.278 -6.787 -1.854 675 3HG1 VAL 90 3HG1 VAL 90 -2.010 -6.409 -1.694 676 1HG2 VAL 90 1HG2 VAL 90 0.794 -7.789 0.401 677 2HG2 VAL 90 2HG2 VAL 90 -0.326 -6.973 1.519 678 3HG2 VAL 90 3HG2 VAL 90 -0.287 -8.751 1.438 679 H GLN 91 H GLN 91 -1.758 -8.161 2.779 680 HA GLN 91 HA GLN 91 -1.864 -10.836 3.071 681 1HB GLN 91 1HB GLN 91 -2.227 -8.587 5.078 682 2HB GLN 91 2HB GLN 91 -2.210 -10.261 5.595 683 1HG GLN 91 1HG GLN 91 0.006 -9.426 3.753 684 2HG GLN 91 2HG GLN 91 0.046 -8.742 5.366 685 1HE2 GLN 91 1HE2 GLN 91 0.770 -11.384 3.432 686 2HE2 GLN 91 2HE2 GLN 91 1.161 -12.557 4.644 687 H ASN 92 H ASN 92 -4.464 -8.479 4.032 688 HA ASN 92 HA ASN 92 -6.266 -10.759 4.136 689 1HB ASN 92 1HB ASN 92 -6.328 -7.980 5.390 690 2HB ASN 92 2HB ASN 92 -7.790 -8.941 5.286 691 1HD2 ASN 92 1HD2 ASN 92 -4.597 -8.657 6.653 692 2HD2 ASN 92 2HD2 ASN 92 -4.754 -9.838 7.910 693 H SER 93 H SER 93 -5.883 -10.308 1.570 694 HA SER 93 HA SER 93 -6.679 -8.236 0.188 695 1HB SER 93 1HB SER 93 -7.343 -9.730 -1.600 696 2HB SER 93 2HB SER 93 -6.030 -10.491 -0.724 697 HG SER 93 HG SER 93 -8.040 -11.818 -1.274 698 HA PRO 94 HA PRO 94 -10.797 -7.558 1.615 699 1HB PRO 94 1HB PRO 94 -11.128 -5.075 0.523 700 2HB PRO 94 2HB PRO 94 -10.390 -5.342 2.090 701 1HG PRO 94 1HG PRO 94 -9.094 -4.640 -0.472 702 2HG PRO 94 2HG PRO 94 -8.459 -4.496 1.154 703 1HD PRO 94 1HD PRO 94 -7.796 -6.512 -0.775 704 2HD PRO 94 2HD PRO 94 -7.251 -6.434 0.889 705 HA PRO 95 HA PRO 95 -13.324 -8.528 -1.652 706 1HB PRO 95 1HB PRO 95 -15.739 -7.425 -1.005 707 2HB PRO 95 2HB PRO 95 -15.155 -8.924 -0.313 708 1HG PRO 95 1HG PRO 95 -15.303 -6.245 0.927 709 2HG PRO 95 2HG PRO 95 -15.133 -7.806 1.704 710 1HD PRO 95 1HD PRO 95 -13.066 -5.862 1.287 711 2HD PRO 95 2HD PRO 95 -12.873 -7.469 1.960 712 H TRP 96 H TRP 96 -12.938 -5.200 -0.912 713 HA TRP 96 HA TRP 96 -14.128 -4.349 -3.387 714 1HB TRP 96 1HB TRP 96 -13.257 -2.122 -2.682 715 2HB TRP 96 2HB TRP 96 -14.377 -2.877 -1.566 716 HD1 TRP 96 HD1 TRP 96 -13.373 -3.620 0.850 717 HE1 TRP 96 HE1 TRP 96 -11.198 -3.030 2.223 718 HE3 TRP 96 HE3 TRP 96 -10.814 -1.619 -3.061 719 HZ2 TRP 96 HZ2 TRP 96 -8.707 -1.819 1.534 720 HZ3 TRP 96 HZ3 TRP 96 -8.517 -0.755 -2.626 721 HH2 TRP 96 HH2 TRP 96 -7.460 -0.832 -0.423 722 H ILE 97 H ILE 97 -11.273 -5.924 -2.478 723 HA ILE 97 HA ILE 97 -9.739 -4.626 -4.614 724 HB ILE 97 HB ILE 97 -9.054 -5.859 -2.019 725 1HG1 ILE 97 1HG1 ILE 97 -7.920 -3.636 -3.735 726 2HG1 ILE 97 2HG1 ILE 97 -8.892 -3.473 -2.286 727 1HG2 ILE 97 1HG2 ILE 97 -7.292 -6.214 -4.458 728 2HG2 ILE 97 2HG2 ILE 97 -6.762 -6.432 -2.773 729 3HG2 ILE 97 3HG2 ILE 97 -8.017 -7.494 -3.456 730 1HD1 ILE 97 1HD1 ILE 97 -7.060 -4.702 -1.009 731 2HD1 ILE 97 2HD1 ILE 97 -6.065 -4.598 -2.481 732 3HD1 ILE 97 3HD1 ILE 97 -6.584 -3.111 -1.651 733 H LYS 98 H LYS 98 -10.218 -7.927 -3.157 734 HA LYS 98 HA LYS 98 -10.700 -8.946 -5.826 735 1HB LYS 98 1HB LYS 98 -8.196 -9.412 -4.305 736 2HB LYS 98 2HB LYS 98 -8.940 -10.840 -4.995 737 1HG LYS 98 1HG LYS 98 -8.907 -8.529 -6.853 738 2HG LYS 98 2HG LYS 98 -7.304 -9.043 -6.365 739 1HD LYS 98 1HD LYS 98 -9.257 -11.196 -7.150 740 2HD LYS 98 2HD LYS 98 -8.622 -10.186 -8.434 741 1HE LYS 98 1HE LYS 98 -6.334 -10.786 -6.933 742 2HE LYS 98 2HE LYS 98 -7.258 -12.271 -6.838 743 1HZ LYS 98 1HZ LYS 98 -6.754 -12.691 -8.924 744 2HZ LYS 98 2HZ LYS 98 -7.338 -11.259 -9.449 745 3HZ LYS 98 3HZ LYS 98 -5.784 -11.379 -8.963 746 H SER 99 H SER 99 -12.474 -10.205 -5.696 747 HA SER 99 HA SER 99 -12.868 -11.590 -3.159 748 1HB SER 99 1HB SER 99 -14.431 -9.594 -3.626 749 2HB SER 99 2HB SER 99 -15.112 -10.545 -4.931 750 HG SER 99 HG SER 99 -16.391 -10.925 -3.108 751 H GLY 100 H GLY 100 -12.621 -13.764 -3.513 752 1HA GLY 100 1HA GLY 100 -12.823 -14.874 -6.151 753 2HA GLY 100 2HA GLY 100 -12.472 -15.717 -4.655 754 HA PRO 101 HA PRO 101 -16.845 -16.489 -5.957 755 1HB PRO 101 1HB PRO 101 -16.631 -18.995 -7.025 756 2HB PRO 101 2HB PRO 101 -16.658 -17.538 -7.998 757 1HG PRO 101 1HG PRO 101 -14.362 -19.273 -7.322 758 2HG PRO 101 2HG PRO 101 -14.502 -18.087 -8.605 759 1HD PRO 101 1HD PRO 101 -13.087 -17.778 -6.129 760 2HD PRO 101 2HD PRO 101 -13.324 -16.554 -7.360 761 H SER 102 H SER 102 -16.094 -16.371 -3.468 762 HA SER 102 HA SER 102 -15.936 -18.870 -2.244 763 1HB SER 102 1HB SER 102 -16.097 -16.050 -1.445 764 2HB SER 102 2HB SER 102 -16.998 -17.074 -0.345 765 HG SER 102 HG SER 102 -14.818 -16.935 0.361 766 H SER 103 H SER 103 -17.581 -20.359 -2.555 767 HA SER 103 HA SER 103 -20.290 -19.340 -2.225 768 1HB SER 103 1HB SER 103 -19.674 -20.466 -4.417 769 2HB SER 103 2HB SER 103 -19.408 -21.953 -3.528 770 HG SER 103 HG SER 103 -21.908 -20.528 -3.332 771 H GLY 104 H GLY 104 -21.394 -19.943 -0.389 772 1HA GLY 104 1HA GLY 104 -21.967 -21.074 1.468 773 2HA GLY 104 2HA GLY 104 -21.223 -22.503 0.778 Start of MODEL 15 1 1H GLY 0 1H GLY 0 0.075 -8.274 -15.547 2 1HA GLY 0 1HA GLY 0 2.759 -9.005 -16.168 3 2HA GLY 0 2HA GLY 0 2.554 -8.766 -14.445 4 H SER 1 H SER 1 0.265 -9.771 -13.624 5 HA SER 1 HA SER 1 0.262 -12.473 -14.719 6 1HB SER 1 1HB SER 1 0.466 -11.454 -12.009 7 2HB SER 1 2HB SER 1 -0.983 -12.430 -12.145 8 HG SER 1 HG SER 1 0.766 -13.794 -11.598 9 H SER 2 H SER 2 -1.863 -10.093 -12.956 10 HA SER 2 HA SER 2 -4.077 -11.189 -14.504 11 1HB SER 2 1HB SER 2 -3.909 -11.062 -11.798 12 2HB SER 2 2HB SER 2 -4.584 -9.472 -12.096 13 HG SER 2 HG SER 2 -5.753 -11.758 -13.380 14 H GLY 3 H GLY 3 -2.965 -8.102 -12.913 15 1HA GLY 3 1HA GLY 3 -2.830 -6.007 -13.764 16 2HA GLY 3 2HA GLY 3 -3.280 -6.616 -15.344 17 H SER 4 H SER 4 -5.555 -6.887 -15.900 18 HA SER 4 HA SER 4 -7.655 -6.342 -15.915 19 1HB SER 4 1HB SER 4 -7.194 -7.062 -13.199 20 2HB SER 4 2HB SER 4 -8.177 -5.613 -13.142 21 HG SER 4 HG SER 4 -8.769 -8.125 -14.430 22 H SER 5 H SER 5 -9.253 -4.428 -15.462 23 HA SER 5 HA SER 5 -7.865 -2.075 -16.053 24 1HB SER 5 1HB SER 5 -10.774 -2.353 -15.180 25 2HB SER 5 2HB SER 5 -10.082 -1.027 -16.094 26 HG SER 5 HG SER 5 -9.903 -2.295 -17.910 27 H GLY 6 H GLY 6 -9.975 -2.982 -13.220 28 1HA GLY 6 1HA GLY 6 -9.631 -0.788 -11.641 29 2HA GLY 6 2HA GLY 6 -9.832 -2.422 -11.042 30 H THR 7 H THR 7 -7.934 0.200 -10.640 31 HA THR 7 HA THR 7 -5.414 -1.299 -10.505 32 HB THR 7 HB THR 7 -4.588 1.169 -10.116 33 HG1 THR 7 HG1 THR 7 -6.345 2.568 -11.190 34 1HG2 THR 7 1HG2 THR 7 -4.038 0.957 -12.323 35 2HG2 THR 7 2HG2 THR 7 -5.336 -0.239 -12.557 36 3HG2 THR 7 3HG2 THR 7 -5.682 1.498 -12.740 37 HA PRO 8 HA PRO 8 -5.471 -1.400 -6.219 38 1HB PRO 8 1HB PRO 8 -2.828 -1.195 -5.556 39 2HB PRO 8 2HB PRO 8 -3.559 -2.680 -6.130 40 1HG PRO 8 1HG PRO 8 -1.785 -0.809 -7.576 41 2HG PRO 8 2HG PRO 8 -2.176 -2.473 -7.963 42 1HD PRO 8 1HD PRO 8 -3.219 -0.124 -9.237 43 2HD PRO 8 2HD PRO 8 -3.695 -1.783 -9.545 44 H LEU 9 H LEU 9 -3.339 1.190 -7.312 45 HA LEU 9 HA LEU 9 -3.429 2.689 -5.012 46 1HB LEU 9 1HB LEU 9 -2.199 2.903 -7.368 47 2HB LEU 9 2HB LEU 9 -3.472 4.075 -7.645 48 HG LEU 9 HG LEU 9 -1.286 4.131 -5.570 49 1HD1 LEU 9 1HD1 LEU 9 -2.101 5.835 -7.907 50 2HD1 LEU 9 2HD1 LEU 9 -1.150 6.525 -6.570 51 3HD1 LEU 9 3HD1 LEU 9 -0.510 5.149 -7.500 52 1HD2 LEU 9 1HD2 LEU 9 -2.519 6.345 -4.882 53 2HD2 LEU 9 2HD2 LEU 9 -3.957 5.484 -5.483 54 3HD2 LEU 9 3HD2 LEU 9 -2.984 4.782 -4.168 55 H SER 10 H SER 10 -5.694 2.705 -7.837 56 HA SER 10 HA SER 10 -7.296 4.724 -6.785 57 1HB SER 10 1HB SER 10 -7.137 3.367 -9.179 58 2HB SER 10 2HB SER 10 -8.612 2.690 -8.517 59 HG SER 10 HG SER 10 -8.475 4.932 -9.818 60 H LEU 11 H LEU 11 -7.371 1.124 -6.580 61 HA LEU 11 HA LEU 11 -9.857 0.873 -5.370 62 1HB LEU 11 1HB LEU 11 -7.357 -0.790 -5.401 63 2HB LEU 11 2HB LEU 11 -8.736 -1.267 -4.431 64 HG LEU 11 HG LEU 11 -9.138 -0.651 -7.342 65 1HD1 LEU 11 1HD1 LEU 11 -8.243 -2.576 -8.140 66 2HD1 LEU 11 2HD1 LEU 11 -7.143 -2.336 -6.761 67 3HD1 LEU 11 3HD1 LEU 11 -8.510 -3.468 -6.623 68 1HD2 LEU 11 1HD2 LEU 11 -10.465 -2.921 -5.963 69 2HD2 LEU 11 2HD2 LEU 11 -10.896 -1.284 -5.412 70 3HD2 LEU 11 3HD2 LEU 11 -11.111 -1.733 -7.121 71 H THR 12 H THR 12 -6.563 1.325 -3.939 72 HA THR 12 HA THR 12 -7.452 1.245 -1.269 73 HB THR 12 HB THR 12 -5.166 2.284 -0.888 74 HG1 THR 12 HG1 THR 12 -4.802 2.016 -3.731 75 1HG2 THR 12 1HG2 THR 12 -3.974 0.554 -2.633 76 2HG2 THR 12 2HG2 THR 12 -4.717 0.010 -1.109 77 3HG2 THR 12 3HG2 THR 12 -5.622 -0.117 -2.637 78 H LEU 13 H LEU 13 -6.694 4.057 -3.431 79 HA LEU 13 HA LEU 13 -7.369 6.011 -1.605 80 1HB LEU 13 1HB LEU 13 -7.077 5.797 -4.538 81 2HB LEU 13 2HB LEU 13 -8.041 7.147 -3.970 82 HG LEU 13 HG LEU 13 -5.694 7.760 -4.322 83 1HD1 LEU 13 1HD1 LEU 13 -5.592 9.181 -2.548 84 2HD1 LEU 13 2HD1 LEU 13 -7.268 8.611 -2.353 85 3HD1 LEU 13 3HD1 LEU 13 -5.968 7.911 -1.358 86 1HD2 LEU 13 1HD2 LEU 13 -3.875 6.829 -3.191 87 2HD2 LEU 13 2HD2 LEU 13 -4.910 6.026 -1.986 88 3HD2 LEU 13 3HD2 LEU 13 -4.858 5.421 -3.659 89 H ASP 14 H ASP 14 -9.440 4.274 -4.013 90 HA ASP 14 HA ASP 14 -11.727 5.667 -3.618 91 1HB ASP 14 1HB ASP 14 -11.132 2.770 -4.261 92 2HB ASP 14 2HB ASP 14 -12.799 3.252 -4.016 93 H HIS 15 H HIS 15 -10.037 3.392 -1.509 94 HA HIS 15 HA HIS 15 -12.280 3.547 0.370 95 1HB HIS 15 1HB HIS 15 -10.567 1.221 -0.432 96 2HB HIS 15 2HB HIS 15 -11.157 1.307 1.216 97 HD1 HIS 15 HD1 HIS 15 -14.013 2.168 0.993 98 HD2 HIS 15 HD2 HIS 15 -12.251 -0.426 -1.793 99 HE1 HIS 15 HE1 HIS 15 -15.929 0.890 -0.106 100 H TRP 16 H TRP 16 -10.525 5.629 0.346 101 HA TRP 16 HA TRP 16 -8.149 5.344 1.709 102 1HB TRP 16 1HB TRP 16 -8.805 7.370 0.553 103 2HB TRP 16 2HB TRP 16 -10.110 7.644 1.691 104 HD1 TRP 16 HD1 TRP 16 -9.424 9.556 3.319 105 HE1 TRP 16 HE1 TRP 16 -7.278 10.402 4.601 106 HE3 TRP 16 HE3 TRP 16 -6.278 6.021 1.459 107 HZ2 TRP 16 HZ2 TRP 16 -4.567 9.517 4.691 108 HZ3 TRP 16 HZ3 TRP 16 -3.897 6.083 2.194 109 HH2 TRP 16 HH2 TRP 16 -3.028 7.753 3.753 110 H SER 17 H SER 17 -11.549 5.484 2.842 111 HA SER 17 HA SER 17 -11.116 5.943 5.488 112 1HB SER 17 1HB SER 17 -13.338 5.777 4.272 113 2HB SER 17 2HB SER 17 -13.189 4.032 4.325 114 HG SER 17 HG SER 17 -14.479 4.973 6.094 115 H GLU 18 H GLU 18 -11.150 2.793 3.688 116 HA GLU 18 HA GLU 18 -10.747 1.201 5.909 117 1HB GLU 18 1HB GLU 18 -11.474 0.145 3.903 118 2HB GLU 18 2HB GLU 18 -10.185 0.853 2.949 119 1HG GLU 18 1HG GLU 18 -9.638 -1.488 3.339 120 2HG GLU 18 2HG GLU 18 -8.509 -0.506 4.253 121 H ILE 19 H ILE 19 -8.430 2.815 3.660 122 HA ILE 19 HA ILE 19 -6.129 1.641 4.761 123 HB ILE 19 HB ILE 19 -6.330 4.309 3.373 124 1HG1 ILE 19 1HG1 ILE 19 -7.566 2.900 1.953 125 2HG1 ILE 19 2HG1 ILE 19 -5.953 2.940 1.269 126 1HG2 ILE 19 1HG2 ILE 19 -4.141 4.106 4.069 127 2HG2 ILE 19 2HG2 ILE 19 -4.134 2.334 3.902 128 3HG2 ILE 19 3HG2 ILE 19 -4.077 3.364 2.452 129 1HD1 ILE 19 1HD1 ILE 19 -5.472 0.791 2.621 130 2HD1 ILE 19 2HD1 ILE 19 -7.227 0.716 2.907 131 3HD1 ILE 19 3HD1 ILE 19 -6.592 0.634 1.247 132 H ARG 20 H ARG 20 -8.038 4.579 5.545 133 HA ARG 20 HA ARG 20 -6.142 5.544 7.365 134 1HB ARG 20 1HB ARG 20 -9.103 6.098 6.901 135 2HB ARG 20 2HB ARG 20 -8.230 6.894 8.196 136 1HG ARG 20 1HG ARG 20 -6.481 7.354 6.156 137 2HG ARG 20 2HG ARG 20 -7.962 7.241 5.226 138 1HD ARG 20 1HD ARG 20 -8.036 8.931 7.720 139 2HD ARG 20 2HD ARG 20 -7.139 9.562 6.353 140 HE ARG 20 HE ARG 20 -9.541 8.718 5.230 141 1HH1 ARG 20 1HH1 ARG 20 -8.666 10.902 7.848 142 2HH1 ARG 20 2HH1 ARG 20 -10.058 11.913 7.640 143 1HH2 ARG 20 1HH2 ARG 20 -11.377 10.051 4.957 144 2HH2 ARG 20 2HH2 ARG 20 -11.610 11.426 5.985 145 H SER 21 H SER 21 -8.770 3.177 7.490 146 HA SER 21 HA SER 21 -9.120 3.257 10.274 147 1HB SER 21 1HB SER 21 -10.408 2.058 8.118 148 2HB SER 21 2HB SER 21 -9.697 0.680 8.934 149 HG SER 21 HG SER 21 -10.898 2.497 10.694 150 H ARG 22 H ARG 22 -7.274 1.100 8.013 151 HA ARG 22 HA ARG 22 -6.344 -0.647 9.882 152 1HB ARG 22 1HB ARG 22 -4.764 0.366 7.466 153 2HB ARG 22 2HB ARG 22 -4.587 -1.195 8.243 154 1HG ARG 22 1HG ARG 22 -7.376 -0.817 7.524 155 2HG ARG 22 2HG ARG 22 -6.379 -0.479 6.122 156 1HD ARG 22 1HD ARG 22 -5.128 -2.711 6.747 157 2HD ARG 22 2HD ARG 22 -6.529 -3.046 7.745 158 HE ARG 22 HE ARG 22 -7.257 -2.242 5.031 159 1HH1 ARG 22 1HH1 ARG 22 -6.287 -4.959 7.046 160 2HH1 ARG 22 2HH1 ARG 22 -7.000 -6.148 6.008 161 1HH2 ARG 22 1HH2 ARG 22 -8.198 -3.811 3.661 162 2HH2 ARG 22 2HH2 ARG 22 -8.095 -5.491 4.070 163 H ALA 23 H ALA 23 -5.337 2.674 9.116 164 HA ALA 23 HA ALA 23 -2.789 2.597 10.286 165 1HB ALA 23 1HB ALA 23 -4.438 4.434 8.928 166 2HB ALA 23 2HB ALA 23 -4.132 5.170 10.520 167 3HB ALA 23 3HB ALA 23 -2.767 4.697 9.481 168 H HIS 24 H HIS 24 -6.095 3.210 11.570 169 HA HIS 24 HA HIS 24 -5.210 4.021 14.110 170 1HB HIS 24 1HB HIS 24 -7.657 3.774 12.717 171 2HB HIS 24 2HB HIS 24 -7.825 2.790 14.157 172 HD1 HIS 24 HD1 HIS 24 -7.213 4.102 16.506 173 HD2 HIS 24 HD2 HIS 24 -8.014 6.465 13.134 174 HE1 HIS 24 HE1 HIS 24 -7.742 6.440 17.381 175 H ASN 25 H ASN 25 -6.089 0.853 12.652 176 HA ASN 25 HA ASN 25 -5.986 -0.534 15.075 177 1HB ASN 25 1HB ASN 25 -7.144 -1.557 13.212 178 2HB ASN 25 2HB ASN 25 -5.766 -1.363 12.147 179 1HD2 ASN 25 1HD2 ASN 25 -3.867 -2.613 12.510 180 2HD2 ASN 25 2HD2 ASN 25 -3.943 -4.162 13.281 181 H LEU 26 H LEU 26 -3.616 0.542 12.653 182 HA LEU 26 HA LEU 26 -1.542 -1.150 13.798 183 1HB LEU 26 1HB LEU 26 -1.565 0.700 11.410 184 2HB LEU 26 2HB LEU 26 -0.173 -0.223 11.942 185 HG LEU 26 HG LEU 26 -2.808 -1.441 11.070 186 1HD1 LEU 26 1HD1 LEU 26 -0.803 -2.116 9.233 187 2HD1 LEU 26 2HD1 LEU 26 -2.186 -1.024 8.980 188 3HD1 LEU 26 3HD1 LEU 26 -0.619 -0.368 9.513 189 1HD2 LEU 26 1HD2 LEU 26 -0.219 -2.580 12.051 190 2HD2 LEU 26 2HD2 LEU 26 -1.894 -3.073 12.399 191 3HD2 LEU 26 3HD2 LEU 26 -1.156 -3.471 10.828 192 H SER 27 H SER 27 -3.026 1.827 14.398 193 HA SER 27 HA SER 27 -2.525 3.508 15.676 194 1HB SER 27 1HB SER 27 -0.011 1.981 16.485 195 2HB SER 27 2HB SER 27 -0.719 3.327 17.356 196 HG SER 27 HG SER 27 -2.698 1.534 17.025 197 H VAL 28 H VAL 28 -2.007 4.033 13.107 198 HA VAL 28 HA VAL 28 0.401 5.655 13.252 199 HB VAL 28 HB VAL 28 1.006 4.913 10.932 200 1HG1 VAL 28 1HG1 VAL 28 2.438 4.171 12.639 201 2HG1 VAL 28 2HG1 VAL 28 1.216 3.064 13.312 202 3HG1 VAL 28 3HG1 VAL 28 2.003 2.685 11.761 203 1HG2 VAL 28 1HG2 VAL 28 -1.225 3.837 10.465 204 2HG2 VAL 28 2HG2 VAL 28 0.191 2.839 10.056 205 3HG2 VAL 28 3HG2 VAL 28 -0.734 2.505 11.539 206 H GLU 29 H GLU 29 0.348 7.469 11.754 207 HA GLU 29 HA GLU 29 -2.371 7.935 10.801 208 1HB GLU 29 1HB GLU 29 -1.022 9.393 12.709 209 2HB GLU 29 2HB GLU 29 -0.616 10.295 11.263 210 1HG GLU 29 1HG GLU 29 -3.412 9.660 11.088 211 2HG GLU 29 2HG GLU 29 -3.125 10.241 12.716 212 H ILE 30 H ILE 30 -2.660 8.603 8.662 213 HA ILE 30 HA ILE 30 -0.279 9.326 7.153 214 HB ILE 30 HB ILE 30 -0.826 7.739 5.374 215 1HG1 ILE 30 1HG1 ILE 30 -2.922 6.755 7.324 216 2HG1 ILE 30 2HG1 ILE 30 -3.173 7.380 5.705 217 1HG2 ILE 30 1HG2 ILE 30 -0.503 5.991 7.762 218 2HG2 ILE 30 2HG2 ILE 30 0.446 6.078 6.258 219 3HG2 ILE 30 3HG2 ILE 30 0.681 7.299 7.531 220 1HD1 ILE 30 1HD1 ILE 30 -2.716 5.369 4.744 221 2HD1 ILE 30 2HD1 ILE 30 -1.260 5.136 5.742 222 3HD1 ILE 30 3HD1 ILE 30 -2.860 4.690 6.383 223 H LYS 31 H LYS 31 -0.911 10.204 4.943 224 HA LYS 31 HA LYS 31 -3.529 11.512 5.192 225 1HB LYS 31 1HB LYS 31 -0.828 12.525 4.478 226 2HB LYS 31 2HB LYS 31 -2.160 13.144 3.523 227 1HG LYS 31 1HG LYS 31 -3.093 13.179 6.210 228 2HG LYS 31 2HG LYS 31 -1.439 13.753 6.292 229 1HD LYS 31 1HD LYS 31 -2.113 15.771 5.514 230 2HD LYS 31 2HD LYS 31 -2.596 15.019 4.006 231 1HE LYS 31 1HE LYS 31 -4.810 14.388 5.151 232 2HE LYS 31 2HE LYS 31 -4.317 15.393 6.499 233 1HZ LYS 31 1HZ LYS 31 -5.456 16.854 5.211 234 2HZ LYS 31 2HZ LYS 31 -3.951 17.121 4.636 235 3HZ LYS 31 3HZ LYS 31 -4.995 16.193 3.791 236 H LYS 32 H LYS 32 -4.434 12.189 2.960 237 HA LYS 32 HA LYS 32 -4.275 9.817 1.287 238 1HB LYS 32 1HB LYS 32 -6.481 10.529 2.013 239 2HB LYS 32 2HB LYS 32 -6.226 12.136 1.363 240 1HG LYS 32 1HG LYS 32 -6.351 11.404 -0.880 241 2HG LYS 32 2HG LYS 32 -5.912 9.756 -0.478 242 1HD LYS 32 1HD LYS 32 -8.188 9.446 -0.787 243 2HD LYS 32 2HD LYS 32 -8.205 9.842 0.920 244 1HE LYS 32 1HE LYS 32 -8.289 12.210 -0.888 245 2HE LYS 32 2HE LYS 32 -9.684 11.157 -1.013 246 1HZ LYS 32 1HZ LYS 32 -8.838 11.704 1.669 247 2HZ LYS 32 2HZ LYS 32 -9.384 13.010 0.853 248 3HZ LYS 32 3HZ LYS 32 -10.341 11.699 1.030 249 H GLY 33 H GLY 33 -2.919 12.958 1.536 250 1HA GLY 33 1HA GLY 33 -2.704 13.472 -1.294 251 2HA GLY 33 2HA GLY 33 -1.972 14.369 0.020 252 HA PRO 34 HA PRO 34 1.712 12.053 -0.337 253 1HB PRO 34 1HB PRO 34 2.316 10.929 2.080 254 2HB PRO 34 2HB PRO 34 2.566 12.626 1.723 255 1HG PRO 34 1HG PRO 34 0.457 11.368 3.369 256 2HG PRO 34 2HG PRO 34 0.977 13.042 3.343 257 1HD PRO 34 1HD PRO 34 -1.395 11.963 2.144 258 2HD PRO 34 2HD PRO 34 -0.815 13.612 2.021 259 H TRP 35 H TRP 35 -0.671 10.022 1.235 260 HA TRP 35 HA TRP 35 0.441 7.576 0.808 261 1HB TRP 35 1HB TRP 35 -1.544 7.724 2.050 262 2HB TRP 35 2HB TRP 35 -2.411 8.530 0.758 263 HD1 TRP 35 HD1 TRP 35 -3.270 6.921 -1.312 264 HE1 TRP 35 HE1 TRP 35 -3.810 4.345 -1.512 265 HE3 TRP 35 HE3 TRP 35 -0.777 5.535 2.898 266 HZ2 TRP 35 HZ2 TRP 35 -3.149 2.069 0.077 267 HZ3 TRP 35 HZ3 TRP 35 -0.774 3.116 3.502 268 HH2 TRP 35 HH2 TRP 35 -1.906 1.409 2.169 269 H ARG 36 H ARG 36 -1.166 9.807 -1.501 270 HA ARG 36 HA ARG 36 -1.180 7.895 -3.575 271 1HB ARG 36 1HB ARG 36 -2.669 10.031 -3.268 272 2HB ARG 36 2HB ARG 36 -1.319 10.917 -3.949 273 1HG ARG 36 1HG ARG 36 -2.181 10.410 -5.991 274 2HG ARG 36 2HG ARG 36 -1.589 8.782 -5.728 275 1HD ARG 36 1HD ARG 36 -3.788 8.182 -5.999 276 2HD ARG 36 2HD ARG 36 -3.948 8.663 -4.322 277 HE ARG 36 HE ARG 36 -4.341 11.051 -5.560 278 1HH1 ARG 36 1HH1 ARG 36 -5.664 7.866 -6.256 279 2HH1 ARG 36 2HH1 ARG 36 -7.141 8.484 -6.918 280 1HH2 ARG 36 1HH2 ARG 36 -6.289 11.867 -6.433 281 2HH2 ARG 36 2HH2 ARG 36 -7.498 10.775 -7.019 282 H THR 37 H THR 37 0.833 10.780 -2.699 283 HA THR 37 HA THR 37 2.492 10.790 -4.921 284 HB THR 37 HB THR 37 2.808 11.625 -2.001 285 HG1 THR 37 HG1 THR 37 1.395 12.928 -3.248 286 1HG2 THR 37 1HG2 THR 37 4.557 13.034 -3.845 287 2HG2 THR 37 2HG2 THR 37 4.997 12.172 -2.351 288 3HG2 THR 37 3HG2 THR 37 4.939 11.296 -3.900 289 H PHE 38 H PHE 38 2.941 9.063 -1.767 290 HA PHE 38 HA PHE 38 5.372 7.922 -2.415 291 1HB PHE 38 1HB PHE 38 2.953 7.113 -0.711 292 2HB PHE 38 2HB PHE 38 4.404 6.129 -0.718 293 HD1 PHE 38 HD1 PHE 38 2.917 7.950 1.470 294 HD2 PHE 38 HD2 PHE 38 6.480 8.283 -0.811 295 HE1 PHE 38 HE1 PHE 38 3.919 9.413 3.247 296 HE2 PHE 38 HE2 PHE 38 7.481 9.746 0.965 297 HZ PHE 38 HZ PHE 38 6.189 10.294 2.973 298 H CYS 39 H CYS 39 2.056 7.046 -3.369 299 HA CYS 39 HA CYS 39 3.093 4.593 -4.564 300 1HB CYS 39 1HB CYS 39 0.976 4.699 -3.029 301 2HB CYS 39 2HB CYS 39 0.171 5.321 -4.455 302 HG CYS 39 HG CYS 39 0.953 3.375 -6.068 303 H ALA 40 H ALA 40 3.272 7.645 -5.379 304 HA ALA 40 HA ALA 40 1.911 7.473 -7.958 305 1HB ALA 40 1HB ALA 40 3.306 9.774 -6.531 306 2HB ALA 40 2HB ALA 40 2.444 9.890 -8.083 307 3HB ALA 40 3HB ALA 40 1.550 9.490 -6.597 308 H SER 41 H SER 41 5.131 8.614 -6.698 309 HA SER 41 HA SER 41 6.379 7.027 -8.750 310 1HB SER 41 1HB SER 41 6.142 9.047 -10.000 311 2HB SER 41 2HB SER 41 6.517 10.055 -8.616 312 HG SER 41 HG SER 41 8.671 9.660 -8.832 313 H GLU 42 H GLU 42 6.254 6.709 -5.905 314 HA GLU 42 HA GLU 42 8.973 7.483 -5.178 315 1HB GLU 42 1HB GLU 42 6.924 8.420 -3.841 316 2HB GLU 42 2HB GLU 42 6.808 6.808 -3.163 317 1HG GLU 42 1HG GLU 42 8.233 7.788 -1.605 318 2HG GLU 42 2HG GLU 42 9.417 7.126 -2.715 319 H TRP 43 H TRP 43 6.392 4.963 -4.807 320 HA TRP 43 HA TRP 43 8.262 3.036 -3.818 321 1HB TRP 43 1HB TRP 43 5.361 2.963 -4.616 322 2HB TRP 43 2HB TRP 43 6.243 1.498 -4.234 323 HD1 TRP 43 HD1 TRP 43 7.909 3.274 -1.795 324 HE1 TRP 43 HE1 TRP 43 6.743 3.522 0.559 325 HE3 TRP 43 HE3 TRP 43 3.215 2.195 -3.423 326 HZ2 TRP 43 HZ2 TRP 43 4.047 3.245 1.456 327 HZ3 TRP 43 HZ3 TRP 43 1.372 2.205 -1.744 328 HH2 TRP 43 HH2 TRP 43 1.729 2.707 0.622 329 HA PRO 44 HA PRO 44 7.737 1.679 -8.348 330 1HB PRO 44 1HB PRO 44 6.707 3.450 -10.156 331 2HB PRO 44 2HB PRO 44 5.747 2.207 -9.378 332 1HG PRO 44 1HG PRO 44 5.803 5.113 -8.840 333 2HG PRO 44 2HG PRO 44 4.582 3.938 -8.394 334 1HD PRO 44 1HD PRO 44 6.566 5.090 -6.672 335 2HD PRO 44 2HD PRO 44 5.421 3.831 -6.256 336 H THR 45 H THR 45 9.158 4.272 -7.043 337 HA THR 45 HA THR 45 10.984 4.540 -9.340 338 HB THR 45 HB THR 45 11.539 6.744 -8.005 339 HG1 THR 45 HG1 THR 45 10.278 5.942 -6.123 340 1HG2 THR 45 1HG2 THR 45 8.655 6.783 -8.891 341 2HG2 THR 45 2HG2 THR 45 9.960 7.937 -9.256 342 3HG2 THR 45 3HG2 THR 45 9.883 6.380 -10.115 343 H PHE 46 H PHE 46 10.780 2.482 -7.012 344 HA PHE 46 HA PHE 46 13.360 3.039 -5.773 345 1HB PHE 46 1HB PHE 46 10.984 1.163 -5.342 346 2HB PHE 46 2HB PHE 46 12.513 0.793 -4.571 347 HD1 PHE 46 HD1 PHE 46 12.113 4.296 -4.877 348 HD2 PHE 46 HD2 PHE 46 10.922 0.971 -2.525 349 HE1 PHE 46 HE1 PHE 46 11.534 5.841 -2.985 350 HE2 PHE 46 HE2 PHE 46 10.343 2.516 -0.633 351 HZ PHE 46 HZ PHE 46 10.657 4.932 -0.886 352 H ASP 47 H ASP 47 11.932 1.282 -8.387 353 HA ASP 47 HA ASP 47 12.808 -0.046 -9.870 354 1HB ASP 47 1HB ASP 47 15.153 1.022 -8.584 355 2HB ASP 47 2HB ASP 47 15.435 -0.690 -8.829 356 H VAL 48 H VAL 48 11.521 -1.889 -9.327 357 HA VAL 48 HA VAL 48 12.880 -4.106 -8.239 358 HB VAL 48 HB VAL 48 11.040 -4.308 -6.362 359 1HG1 VAL 48 1HG1 VAL 48 13.729 -3.912 -6.385 360 2HG1 VAL 48 2HG1 VAL 48 13.193 -2.466 -5.497 361 3HG1 VAL 48 3HG1 VAL 48 12.757 -4.087 -4.905 362 1HG2 VAL 48 1HG2 VAL 48 11.428 -1.492 -5.738 363 2HG2 VAL 48 2HG2 VAL 48 10.521 -1.709 -7.255 364 3HG2 VAL 48 3HG2 VAL 48 9.936 -2.462 -5.752 365 H GLY 49 H GLY 49 9.410 -3.093 -7.981 366 1HA GLY 49 1HA GLY 49 8.619 -4.280 -10.425 367 2HA GLY 49 2HA GLY 49 8.384 -5.416 -9.112 368 H TRP 50 H TRP 50 8.208 -1.852 -8.732 369 HA TRP 50 HA TRP 50 5.378 -2.191 -8.037 370 1HB TRP 50 1HB TRP 50 6.994 -1.361 -6.303 371 2HB TRP 50 2HB TRP 50 7.238 0.068 -7.288 372 HD1 TRP 50 HD1 TRP 50 5.243 1.897 -7.291 373 HE1 TRP 50 HE1 TRP 50 3.096 2.333 -5.821 374 HE3 TRP 50 HE3 TRP 50 5.201 -2.672 -5.061 375 HZ2 TRP 50 HZ2 TRP 50 1.653 0.753 -3.932 376 HZ3 TRP 50 HZ3 TRP 50 3.388 -3.145 -3.417 377 HH2 TRP 50 HH2 TRP 50 1.655 -1.521 -2.841 378 HA PRO 51 HA PRO 51 4.844 -0.028 -11.841 379 1HB PRO 51 1HB PRO 51 2.155 -0.449 -12.081 380 2HB PRO 51 2HB PRO 51 3.358 -1.584 -12.660 381 1HG PRO 51 1HG PRO 51 1.642 -1.766 -10.260 382 2HG PRO 51 2HG PRO 51 2.521 -3.041 -11.081 383 1HD PRO 51 1HD PRO 51 3.260 -1.752 -8.627 384 2HD PRO 51 2HD PRO 51 4.195 -2.944 -9.508 385 HA PRO 52 HA PRO 52 3.339 3.801 -10.793 386 1HB PRO 52 1HB PRO 52 2.127 4.758 -13.048 387 2HB PRO 52 2HB PRO 52 3.865 4.753 -12.823 388 1HG PRO 52 1HG PRO 52 2.210 2.979 -14.511 389 2HG PRO 52 2HG PRO 52 3.935 3.273 -14.591 390 1HD PRO 52 1HD PRO 52 2.638 0.964 -13.489 391 2HD PRO 52 2HD PRO 52 4.355 1.313 -13.465 392 H GLU 53 H GLU 53 1.298 1.303 -11.165 393 HA GLU 53 HA GLU 53 -0.934 2.990 -10.337 394 1HB GLU 53 1HB GLU 53 -0.800 0.525 -12.064 395 2HB GLU 53 2HB GLU 53 -2.235 0.770 -11.088 396 1HG GLU 53 1HG GLU 53 -1.115 2.949 -12.902 397 2HG GLU 53 2HG GLU 53 -2.271 1.763 -13.474 398 H GLY 54 H GLY 54 1.393 0.676 -9.383 399 1HA GLY 54 1HA GLY 54 1.684 -0.058 -7.215 400 2HA GLY 54 2HA GLY 54 0.000 0.263 -6.855 401 H THR 55 H THR 55 0.811 -2.095 -5.909 402 HA THR 55 HA THR 55 -0.723 -3.967 -7.422 403 HB THR 55 HB THR 55 1.904 -3.747 -8.260 404 HG1 THR 55 HG1 THR 55 1.351 -5.919 -9.086 405 1HG2 THR 55 1HG2 THR 55 3.219 -5.504 -7.337 406 2HG2 THR 55 2HG2 THR 55 2.511 -4.748 -5.889 407 3HG2 THR 55 3HG2 THR 55 1.815 -6.252 -6.538 408 H PHE 56 H PHE 56 -1.396 -5.734 -6.188 409 HA PHE 56 HA PHE 56 -0.861 -5.360 -3.353 410 1HB PHE 56 1HB PHE 56 -2.883 -6.903 -5.074 411 2HB PHE 56 2HB PHE 56 -2.830 -7.106 -3.334 412 HD1 PHE 56 HD1 PHE 56 -2.690 -4.621 -2.112 413 HD2 PHE 56 HD2 PHE 56 -4.579 -5.540 -5.800 414 HE1 PHE 56 HE1 PHE 56 -4.198 -2.634 -1.835 415 HE2 PHE 56 HE2 PHE 56 -6.087 -3.553 -5.522 416 HZ PHE 56 HZ PHE 56 -5.879 -2.124 -3.543 417 H ASP 57 H ASP 57 1.365 -6.403 -4.695 418 HA ASP 57 HA ASP 57 1.175 -9.256 -4.187 419 1HB ASP 57 1HB ASP 57 2.061 -8.428 -6.409 420 2HB ASP 57 2HB ASP 57 3.380 -7.647 -5.559 421 H LEU 58 H LEU 58 1.624 -9.547 -1.968 422 HA LEU 58 HA LEU 58 3.071 -7.893 -0.355 423 1HB LEU 58 1HB LEU 58 1.605 -9.780 0.315 424 2HB LEU 58 2HB LEU 58 2.870 -10.900 -0.150 425 HG LEU 58 HG LEU 58 4.245 -9.291 1.567 426 1HD1 LEU 58 1HD1 LEU 58 2.290 -7.960 2.149 427 2HD1 LEU 58 2HD1 LEU 58 1.413 -9.429 2.638 428 3HD1 LEU 58 3HD1 LEU 58 2.850 -8.905 3.549 429 1HD2 LEU 58 1HD2 LEU 58 3.707 -11.118 3.293 430 2HD2 LEU 58 2HD2 LEU 58 2.705 -11.843 2.012 431 3HD2 LEU 58 3HD2 LEU 58 4.451 -11.610 1.752 432 H THR 59 H THR 59 4.207 -10.154 -2.813 433 HA THR 59 HA THR 59 6.834 -10.475 -1.865 434 HB THR 59 HB THR 59 5.599 -10.580 -4.667 435 HG1 THR 59 HG1 THR 59 4.876 -12.002 -2.781 436 1HG2 THR 59 1HG2 THR 59 7.503 -12.119 -5.168 437 2HG2 THR 59 2HG2 THR 59 8.099 -10.485 -4.786 438 3HG2 THR 59 3HG2 THR 59 8.197 -11.777 -3.565 439 H VAL 60 H VAL 60 5.461 -8.154 -4.290 440 HA VAL 60 HA VAL 60 7.937 -6.800 -4.547 441 HB VAL 60 HB VAL 60 5.844 -6.995 -6.109 442 1HG1 VAL 60 1HG1 VAL 60 4.162 -6.016 -4.735 443 2HG1 VAL 60 2HG1 VAL 60 5.170 -4.589 -4.394 444 3HG1 VAL 60 3HG1 VAL 60 4.508 -4.841 -6.027 445 1HG2 VAL 60 1HG2 VAL 60 7.964 -4.986 -5.823 446 2HG2 VAL 60 2HG2 VAL 60 7.418 -5.882 -7.260 447 3HG2 VAL 60 3HG2 VAL 60 6.564 -4.405 -6.755 448 H ILE 61 H ILE 61 4.946 -6.335 -2.599 449 HA ILE 61 HA ILE 61 5.498 -3.817 -1.622 450 HB ILE 61 HB ILE 61 4.026 -6.177 -0.471 451 1HG1 ILE 61 1HG1 ILE 61 2.914 -3.573 -1.526 452 2HG1 ILE 61 2HG1 ILE 61 3.244 -4.935 -2.578 453 1HG2 ILE 61 1HG2 ILE 61 4.104 -3.361 0.647 454 2HG2 ILE 61 2HG2 ILE 61 3.082 -4.702 1.216 455 3HG2 ILE 61 3HG2 ILE 61 4.851 -4.796 1.388 456 1HD1 ILE 61 1HD1 ILE 61 1.824 -6.360 -0.958 457 2HD1 ILE 61 2HD1 ILE 61 1.307 -4.818 -0.234 458 3HD1 ILE 61 3HD1 ILE 61 0.947 -5.164 -1.943 459 H PHE 62 H PHE 62 6.512 -7.057 -0.363 460 HA PHE 62 HA PHE 62 7.800 -6.177 1.899 461 1HB PHE 62 1HB PHE 62 7.635 -8.506 0.119 462 2HB PHE 62 2HB PHE 62 9.298 -8.308 0.635 463 HD1 PHE 62 HD1 PHE 62 5.874 -8.251 2.137 464 HD2 PHE 62 HD2 PHE 62 9.937 -9.400 2.556 465 HE1 PHE 62 HE1 PHE 62 5.332 -9.372 4.317 466 HE2 PHE 62 HE2 PHE 62 9.396 -10.521 4.736 467 HZ PHE 62 HZ PHE 62 7.100 -10.493 5.590 468 H GLU 63 H GLU 63 8.855 -6.137 -1.516 469 HA GLU 63 HA GLU 63 11.555 -5.668 -0.930 470 1HB GLU 63 1HB GLU 63 9.833 -5.271 -3.400 471 2HB GLU 63 2HB GLU 63 11.522 -4.804 -3.391 472 1HG GLU 63 1HG GLU 63 11.139 -7.499 -2.269 473 2HG GLU 63 2HG GLU 63 10.498 -7.382 -3.896 474 H VAL 64 H VAL 64 8.817 -3.490 -1.911 475 HA VAL 64 HA VAL 64 10.347 -1.137 -1.755 476 HB VAL 64 HB VAL 64 7.440 -1.844 -1.867 477 1HG1 VAL 64 1HG1 VAL 64 7.188 0.786 -2.102 478 2HG1 VAL 64 2HG1 VAL 64 7.092 -0.017 -0.517 479 3HG1 VAL 64 3HG1 VAL 64 8.600 0.784 -1.019 480 1HG2 VAL 64 1HG2 VAL 64 9.432 -1.356 -3.761 481 2HG2 VAL 64 2HG2 VAL 64 7.678 -1.432 -4.052 482 3HG2 VAL 64 3HG2 VAL 64 8.462 0.136 -3.745 483 H LYS 65 H LYS 65 8.358 -2.987 0.595 484 HA LYS 65 HA LYS 65 8.442 -1.006 2.600 485 1HB LYS 65 1HB LYS 65 6.717 -2.661 2.643 486 2HB LYS 65 2HB LYS 65 7.873 -3.978 2.633 487 1HG LYS 65 1HG LYS 65 8.772 -2.803 4.857 488 2HG LYS 65 2HG LYS 65 7.174 -2.087 4.888 489 1HD LYS 65 1HD LYS 65 6.094 -4.144 5.207 490 2HD LYS 65 2HD LYS 65 7.362 -5.058 4.414 491 1HE LYS 65 1HE LYS 65 8.597 -3.829 6.675 492 2HE LYS 65 2HE LYS 65 7.055 -4.432 7.248 493 1HZ LYS 65 1HZ LYS 65 9.092 -5.975 7.144 494 2HZ LYS 65 2HZ LYS 65 7.623 -6.561 6.737 495 3HZ LYS 65 3HZ LYS 65 8.691 -6.154 5.571 496 H ALA 66 H ALA 66 10.392 -4.004 1.995 497 HA ALA 66 HA ALA 66 12.036 -3.828 4.186 498 1HB ALA 66 1HB ALA 66 12.681 -4.751 1.356 499 2HB ALA 66 2HB ALA 66 13.610 -5.164 2.817 500 3HB ALA 66 3HB ALA 66 11.934 -5.737 2.636 501 H ILE 67 H ILE 67 11.847 -1.779 1.335 502 HA ILE 67 HA ILE 67 14.497 -0.731 1.649 503 HB ILE 67 HB ILE 67 12.130 -0.028 -0.071 504 1HG1 ILE 67 1HG1 ILE 67 14.872 -0.971 -0.916 505 2HG1 ILE 67 2HG1 ILE 67 13.604 -2.097 -0.474 506 1HG2 ILE 67 1HG2 ILE 67 14.817 1.370 0.023 507 2HG2 ILE 67 2HG2 ILE 67 13.560 1.611 -1.214 508 3HG2 ILE 67 3HG2 ILE 67 13.242 2.064 0.478 509 1HD1 ILE 67 1HD1 ILE 67 12.984 0.097 -2.461 510 2HD1 ILE 67 2HD1 ILE 67 13.877 -1.347 -2.996 511 3HD1 ILE 67 3HD1 ILE 67 12.247 -1.515 -2.300 512 H VAL 68 H VAL 68 11.121 0.484 2.207 513 HA VAL 68 HA VAL 68 11.986 2.881 3.397 514 HB VAL 68 HB VAL 68 9.753 3.305 3.733 515 1HG1 VAL 68 1HG1 VAL 68 10.477 2.130 1.330 516 2HG1 VAL 68 2HG1 VAL 68 8.972 1.284 1.762 517 3HG1 VAL 68 3HG1 VAL 68 8.991 3.060 1.638 518 1HG2 VAL 68 1HG2 VAL 68 8.063 1.297 3.817 519 2HG2 VAL 68 2HG2 VAL 68 9.503 0.361 4.287 520 3HG2 VAL 68 3HG2 VAL 68 8.986 1.752 5.270 521 H PHE 69 H PHE 69 11.349 -0.421 4.604 522 HA PHE 69 HA PHE 69 11.730 0.496 7.335 523 1HB PHE 69 1HB PHE 69 10.803 -1.982 5.838 524 2HB PHE 69 2HB PHE 69 11.431 -2.220 7.457 525 HD1 PHE 69 HD1 PHE 69 8.675 -0.919 5.476 526 HD2 PHE 69 HD2 PHE 69 10.262 -1.256 9.397 527 HE1 PHE 69 HE1 PHE 69 6.437 -0.307 6.434 528 HE2 PHE 69 HE2 PHE 69 8.024 -0.644 10.355 529 HZ PHE 69 HZ PHE 69 6.138 -0.177 8.862 530 H GLN 70 H GLN 70 13.969 0.654 5.387 531 HA GLN 70 HA GLN 70 15.651 -1.547 6.143 532 1HB GLN 70 1HB GLN 70 17.169 -0.753 4.497 533 2HB GLN 70 2HB GLN 70 15.584 -0.442 3.817 534 1HG GLN 70 1HG GLN 70 15.690 1.920 4.544 535 2HG GLN 70 2HG GLN 70 17.216 1.633 5.355 536 1HE2 GLN 70 1HE2 GLN 70 15.580 2.100 2.348 537 2HE2 GLN 70 2HE2 GLN 70 16.962 2.233 1.312 538 H ASP 71 H ASP 71 18.180 -0.333 6.365 539 HA ASP 71 HA ASP 71 17.802 1.098 8.870 540 1HB ASP 71 1HB ASP 71 19.066 -0.861 9.309 541 2HB ASP 71 2HB ASP 71 19.944 -0.752 7.796 542 H GLY 72 H GLY 72 19.152 3.022 9.248 543 1HA GLY 72 1HA GLY 72 20.814 4.551 8.603 544 2HA GLY 72 2HA GLY 72 20.703 3.991 6.946 545 HA PRO 73 HA PRO 73 18.120 7.751 7.413 546 1HB PRO 73 1HB PRO 73 19.547 9.459 5.827 547 2HB PRO 73 2HB PRO 73 19.715 9.404 7.571 548 1HG PRO 73 1HG PRO 73 21.547 8.360 5.499 549 2HG PRO 73 2HG PRO 73 21.876 8.698 7.187 550 1HD PRO 73 1HD PRO 73 21.461 6.119 6.002 551 2HD PRO 73 2HD PRO 73 21.675 6.467 7.706 552 H GLY 74 H GLY 74 19.088 5.619 5.096 553 1HA GLY 74 1HA GLY 74 17.753 6.806 2.852 554 2HA GLY 74 2HA GLY 74 18.390 5.179 2.985 555 H SER 75 H SER 75 16.852 4.767 5.617 556 HA SER 75 HA SER 75 14.619 3.590 4.445 557 1HB SER 75 1HB SER 75 13.905 3.412 6.967 558 2HB SER 75 2HB SER 75 15.319 2.538 6.413 559 HG SER 75 HG SER 75 16.438 3.614 7.874 560 H HIS 76 H HIS 76 12.289 4.064 4.994 561 HA HIS 76 HA HIS 76 11.901 6.932 5.454 562 1HB HIS 76 1HB HIS 76 9.981 5.422 3.738 563 2HB HIS 76 2HB HIS 76 10.417 7.119 3.711 564 HD1 HIS 76 HD1 HIS 76 12.926 7.636 2.701 565 HD2 HIS 76 HD2 HIS 76 11.248 3.889 1.841 566 HE1 HIS 76 HE1 HIS 76 14.233 6.706 0.717 567 HA PRO 77 HA PRO 77 9.579 4.893 8.645 568 1HB PRO 77 1HB PRO 77 9.825 6.872 10.513 569 2HB PRO 77 2HB PRO 77 10.967 5.552 10.360 570 1HG PRO 77 1HG PRO 77 11.274 8.374 9.533 571 2HG PRO 77 2HG PRO 77 12.515 7.161 9.781 572 1HD PRO 77 1HD PRO 77 11.501 8.088 7.264 573 2HD PRO 77 2HD PRO 77 12.657 6.796 7.516 574 H ASP 78 H ASP 78 9.051 7.526 6.724 575 HA ASP 78 HA ASP 78 6.638 8.304 8.035 576 1HB ASP 78 1HB ASP 78 8.074 9.079 5.479 577 2HB ASP 78 2HB ASP 78 6.412 9.583 5.716 578 H GLN 79 H GLN 79 7.757 6.379 5.207 579 HA GLN 79 HA GLN 79 5.048 5.919 4.368 580 1HB GLN 79 1HB GLN 79 7.699 4.873 3.280 581 2HB GLN 79 2HB GLN 79 6.138 4.592 2.536 582 1HG GLN 79 1HG GLN 79 5.840 6.899 1.990 583 2HG GLN 79 2HG GLN 79 7.056 7.424 3.138 584 1HE2 GLN 79 1HE2 GLN 79 8.827 8.117 2.241 585 2HE2 GLN 79 2HE2 GLN 79 9.578 7.533 0.793 586 H GLN 80 H GLN 80 7.346 4.572 6.555 587 HA GLN 80 HA GLN 80 7.044 1.907 6.326 588 1HB GLN 80 1HB GLN 80 7.601 3.801 8.546 589 2HB GLN 80 2HB GLN 80 7.012 2.237 9.070 590 1HG GLN 80 1HG GLN 80 8.798 1.075 7.882 591 2HG GLN 80 2HG GLN 80 9.296 2.547 7.072 592 1HE2 GLN 80 1HE2 GLN 80 11.381 2.359 7.861 593 2HE2 GLN 80 2HE2 GLN 80 11.813 2.722 9.499 594 HA PRO 81 HA PRO 81 2.963 2.247 8.734 595 1HB PRO 81 1HB PRO 81 1.769 4.688 9.025 596 2HB PRO 81 2HB PRO 81 2.783 3.964 10.257 597 1HG PRO 81 1HG PRO 81 3.413 6.179 8.404 598 2HG PRO 81 2HG PRO 81 4.221 5.730 9.893 599 1HD PRO 81 1HD PRO 81 5.133 5.216 7.222 600 2HD PRO 81 2HD PRO 81 5.880 4.667 8.709 601 H TYR 82 H TYR 82 3.570 4.079 5.920 602 HA TYR 82 HA TYR 82 0.867 3.894 4.971 603 1HB TYR 82 1HB TYR 82 3.639 4.601 3.835 604 2HB TYR 82 2HB TYR 82 2.198 4.679 2.840 605 HD1 TYR 82 HD1 TYR 82 3.125 5.837 6.299 606 HD2 TYR 82 HD2 TYR 82 1.429 6.832 2.499 607 HE1 TYR 82 HE1 TYR 82 2.689 8.208 7.106 608 HE2 TYR 82 HE2 TYR 82 0.999 9.199 3.319 609 HH TYR 82 HH TYR 82 0.979 10.527 5.047 610 H ILE 83 H ILE 83 4.046 2.331 4.175 611 HA ILE 83 HA ILE 83 2.891 0.629 2.231 612 HB ILE 83 HB ILE 83 5.224 1.328 2.203 613 1HG1 ILE 83 1HG1 ILE 83 6.197 -0.802 1.589 614 2HG1 ILE 83 2HG1 ILE 83 4.999 -1.677 2.521 615 1HG2 ILE 83 1HG2 ILE 83 6.689 -0.168 3.872 616 2HG2 ILE 83 2HG2 ILE 83 6.127 1.472 4.276 617 3HG2 ILE 83 3HG2 ILE 83 5.244 0.053 4.888 618 1HD1 ILE 83 1HD1 ILE 83 3.869 0.233 0.532 619 2HD1 ILE 83 2HD1 ILE 83 4.760 -1.145 -0.157 620 3HD1 ILE 83 3HD1 ILE 83 3.373 -1.432 0.921 621 H THR 84 H THR 84 3.431 0.467 5.751 622 HA THR 84 HA THR 84 3.154 -2.259 6.133 623 HB THR 84 HB THR 84 2.584 0.253 7.740 624 HG1 THR 84 HG1 THR 84 4.341 -0.996 8.946 625 1HG2 THR 84 1HG2 THR 84 2.355 -1.326 9.738 626 2HG2 THR 84 2HG2 THR 84 0.935 -1.305 8.666 627 3HG2 THR 84 3HG2 THR 84 2.096 -2.651 8.578 628 H VAL 85 H VAL 85 0.612 0.269 5.763 629 HA VAL 85 HA VAL 85 -1.526 -1.462 6.290 630 HB VAL 85 HB VAL 85 -1.251 1.134 4.779 631 1HG1 VAL 85 1HG1 VAL 85 -3.907 1.000 5.370 632 2HG1 VAL 85 2HG1 VAL 85 -3.206 0.585 3.788 633 3HG1 VAL 85 3HG1 VAL 85 -3.566 -0.700 4.966 634 1HG2 VAL 85 1HG2 VAL 85 -1.083 1.863 6.903 635 2HG2 VAL 85 2HG2 VAL 85 -2.838 1.579 6.974 636 3HG2 VAL 85 3HG2 VAL 85 -1.711 0.342 7.580 637 H TRP 86 H TRP 86 0.359 -0.695 3.340 638 HA TRP 86 HA TRP 86 -1.365 -1.894 1.502 639 1HB TRP 86 1HB TRP 86 1.515 -1.128 1.567 640 2HB TRP 86 2HB TRP 86 0.986 -2.221 0.303 641 HD1 TRP 86 HD1 TRP 86 0.420 1.408 1.510 642 HE1 TRP 86 HE1 TRP 86 -0.621 2.895 -0.406 643 HE3 TRP 86 HE3 TRP 86 -0.363 -2.414 -1.751 644 HZ2 TRP 86 HZ2 TRP 86 -1.632 2.319 -3.011 645 HZ3 TRP 86 HZ3 TRP 86 -1.381 -1.866 -3.960 646 HH2 TRP 86 HH2 TRP 86 -2.009 0.405 -4.610 647 H GLN 87 H GLN 87 1.457 -3.153 3.405 648 HA GLN 87 HA GLN 87 1.400 -5.696 2.354 649 1HB GLN 87 1HB GLN 87 3.322 -5.061 3.597 650 2HB GLN 87 2HB GLN 87 2.378 -4.537 4.977 651 1HG GLN 87 1HG GLN 87 1.876 -7.366 4.360 652 2HG GLN 87 2HG GLN 87 3.583 -7.068 4.620 653 1HE2 GLN 87 1HE2 GLN 87 4.350 -6.524 6.598 654 2HE2 GLN 87 2HE2 GLN 87 3.406 -6.504 8.050 655 H ASP 88 H ASP 88 -0.544 -4.147 4.911 656 HA ASP 88 HA ASP 88 -1.562 -6.571 5.915 657 1HB ASP 88 1HB ASP 88 -1.597 -3.895 6.683 658 2HB ASP 88 2HB ASP 88 -3.257 -4.143 6.180 659 H LEU 89 H LEU 89 -2.333 -4.312 3.281 660 HA LEU 89 HA LEU 89 -5.021 -5.060 2.911 661 1HB LEU 89 1HB LEU 89 -2.937 -3.614 1.337 662 2HB LEU 89 2HB LEU 89 -4.385 -4.154 0.512 663 HG LEU 89 HG LEU 89 -4.573 -2.530 3.044 664 1HD1 LEU 89 1HD1 LEU 89 -3.890 -0.642 2.093 665 2HD1 LEU 89 2HD1 LEU 89 -3.267 -1.620 0.743 666 3HD1 LEU 89 3HD1 LEU 89 -4.903 -0.924 0.657 667 1HD2 LEU 89 1HD2 LEU 89 -6.421 -3.546 1.009 668 2HD2 LEU 89 2HD2 LEU 89 -6.725 -3.006 2.678 669 3HD2 LEU 89 3HD2 LEU 89 -6.627 -1.813 1.360 670 H VAL 90 H VAL 90 -1.958 -6.062 1.233 671 HA VAL 90 HA VAL 90 -3.151 -7.931 -0.430 672 HB VAL 90 HB VAL 90 -0.889 -8.855 -0.629 673 1HG1 VAL 90 1HG1 VAL 90 -0.621 -5.850 -0.496 674 2HG1 VAL 90 2HG1 VAL 90 0.067 -6.989 -1.679 675 3HG1 VAL 90 3HG1 VAL 90 -1.678 -6.636 -1.694 676 1HG2 VAL 90 1HG2 VAL 90 0.970 -7.943 0.679 677 2HG2 VAL 90 2HG2 VAL 90 -0.165 -6.950 1.624 678 3HG2 VAL 90 3HG2 VAL 90 -0.228 -8.726 1.739 679 H GLN 91 H GLN 91 -1.817 -8.238 2.913 680 HA GLN 91 HA GLN 91 -2.066 -10.955 3.124 681 1HB GLN 91 1HB GLN 91 -2.106 -8.673 5.101 682 2HB GLN 91 2HB GLN 91 -2.459 -10.290 5.676 683 1HG GLN 91 1HG GLN 91 -0.057 -9.999 3.896 684 2HG GLN 91 2HG GLN 91 0.070 -9.302 5.499 685 1HE2 GLN 91 1HE2 GLN 91 1.759 -10.962 5.652 686 2HE2 GLN 91 2HE2 GLN 91 1.339 -12.553 6.194 687 H ASN 92 H ASN 92 -4.383 -8.510 4.517 688 HA ASN 92 HA ASN 92 -6.388 -10.572 4.533 689 1HB ASN 92 1HB ASN 92 -6.040 -7.845 5.767 690 2HB ASN 92 2HB ASN 92 -7.690 -8.357 5.470 691 1HD2 ASN 92 1HD2 ASN 92 -4.778 -8.866 7.265 692 2HD2 ASN 92 2HD2 ASN 92 -5.376 -10.012 8.419 693 H SER 93 H SER 93 -6.081 -10.361 1.957 694 HA SER 93 HA SER 93 -6.735 -8.273 0.473 695 1HB SER 93 1HB SER 93 -7.576 -9.845 -1.223 696 2HB SER 93 2HB SER 93 -6.175 -10.517 -0.414 697 HG SER 93 HG SER 93 -8.553 -11.191 0.875 698 HA PRO 94 HA PRO 94 -10.812 -7.347 1.874 699 1HB PRO 94 1HB PRO 94 -11.042 -4.911 0.658 700 2HB PRO 94 2HB PRO 94 -10.307 -5.130 2.233 701 1HG PRO 94 1HG PRO 94 -8.998 -4.615 -0.367 702 2HG PRO 94 2HG PRO 94 -8.347 -4.416 1.248 703 1HD PRO 94 1HD PRO 94 -7.783 -6.555 -0.578 704 2HD PRO 94 2HD PRO 94 -7.225 -6.416 1.078 705 HA PRO 95 HA PRO 95 -13.381 -8.403 -1.332 706 1HB PRO 95 1HB PRO 95 -15.771 -7.249 -0.682 707 2HB PRO 95 2HB PRO 95 -15.196 -8.736 0.044 708 1HG PRO 95 1HG PRO 95 -15.289 -6.021 1.209 709 2HG PRO 95 2HG PRO 95 -15.129 -7.562 2.028 710 1HD PRO 95 1HD PRO 95 -13.042 -5.659 1.526 711 2HD PRO 95 2HD PRO 95 -12.861 -7.249 2.241 712 H TRP 96 H TRP 96 -12.914 -5.068 -0.701 713 HA TRP 96 HA TRP 96 -14.146 -4.257 -3.167 714 1HB TRP 96 1HB TRP 96 -13.169 -2.036 -2.547 715 2HB TRP 96 2HB TRP 96 -14.317 -2.715 -1.410 716 HD1 TRP 96 HD1 TRP 96 -13.339 -3.437 1.024 717 HE1 TRP 96 HE1 TRP 96 -11.140 -2.897 2.379 718 HE3 TRP 96 HE3 TRP 96 -10.711 -1.637 -2.939 719 HZ2 TRP 96 HZ2 TRP 96 -8.605 -1.802 1.658 720 HZ3 TRP 96 HZ3 TRP 96 -8.381 -0.853 -2.528 721 HH2 TRP 96 HH2 TRP 96 -7.324 -0.915 -0.325 722 H ILE 97 H ILE 97 -11.253 -5.803 -2.225 723 HA ILE 97 HA ILE 97 -9.741 -4.610 -4.424 724 HB ILE 97 HB ILE 97 -9.070 -5.908 -1.857 725 1HG1 ILE 97 1HG1 ILE 97 -7.905 -3.694 -3.559 726 2HG1 ILE 97 2HG1 ILE 97 -8.795 -3.540 -2.058 727 1HG2 ILE 97 1HG2 ILE 97 -6.887 -6.675 -2.582 728 2HG2 ILE 97 2HG2 ILE 97 -8.166 -7.535 -3.473 729 3HG2 ILE 97 3HG2 ILE 97 -7.257 -6.225 -4.264 730 1HD1 ILE 97 1HD1 ILE 97 -6.974 -4.770 -0.857 731 2HD1 ILE 97 2HD1 ILE 97 -6.063 -4.866 -2.383 732 3HD1 ILE 97 3HD1 ILE 97 -6.383 -3.282 -1.636 733 H LYS 98 H LYS 98 -10.541 -7.865 -3.015 734 HA LYS 98 HA LYS 98 -10.029 -9.020 -5.635 735 1HB LYS 98 1HB LYS 98 -10.091 -11.155 -4.486 736 2HB LYS 98 2HB LYS 98 -8.997 -10.059 -3.667 737 1HG LYS 98 1HG LYS 98 -10.157 -10.352 -1.745 738 2HG LYS 98 2HG LYS 98 -11.566 -9.626 -2.492 739 1HD LYS 98 1HD LYS 98 -11.619 -12.173 -3.589 740 2HD LYS 98 2HD LYS 98 -10.953 -12.496 -2.001 741 1HE LYS 98 1HE LYS 98 -12.869 -11.661 -0.876 742 2HE LYS 98 2HE LYS 98 -13.387 -10.707 -2.251 743 1HZ LYS 98 1HZ LYS 98 -13.412 -13.187 -3.236 744 2HZ LYS 98 2HZ LYS 98 -13.859 -13.464 -1.690 745 3HZ LYS 98 3HZ LYS 98 -14.718 -12.428 -2.616 746 H SER 99 H SER 99 -11.626 -9.436 -7.065 747 HA SER 99 HA SER 99 -14.333 -9.236 -6.022 748 1HB SER 99 1HB SER 99 -13.039 -8.604 -8.660 749 2HB SER 99 2HB SER 99 -14.708 -9.137 -8.696 750 HG SER 99 HG SER 99 -15.304 -7.200 -8.031 751 H GLY 100 H GLY 100 -12.161 -11.166 -8.179 752 1HA GLY 100 1HA GLY 100 -14.119 -13.379 -8.045 753 2HA GLY 100 2HA GLY 100 -12.998 -13.099 -9.361 754 HA PRO 101 HA PRO 101 -10.205 -15.688 -7.276 755 1HB PRO 101 1HB PRO 101 -7.909 -15.150 -8.656 756 2HB PRO 101 2HB PRO 101 -9.146 -16.244 -9.243 757 1HG PRO 101 1HG PRO 101 -8.533 -13.492 -10.132 758 2HG PRO 101 2HG PRO 101 -9.449 -14.735 -10.961 759 1HD PRO 101 1HD PRO 101 -10.508 -12.458 -9.575 760 2HD PRO 101 2HD PRO 101 -11.426 -13.761 -10.303 761 H SER 102 H SER 102 -7.864 -15.714 -6.275 762 HA SER 102 HA SER 102 -7.359 -13.093 -5.179 763 1HB SER 102 1HB SER 102 -8.376 -15.450 -3.629 764 2HB SER 102 2HB SER 102 -7.093 -14.520 -2.881 765 HG SER 102 HG SER 102 -9.125 -12.935 -3.994 766 H SER 103 H SER 103 -5.147 -12.767 -4.743 767 HA SER 103 HA SER 103 -3.459 -14.913 -5.646 768 1HB SER 103 1HB SER 103 -3.370 -12.041 -5.695 769 2HB SER 103 2HB SER 103 -1.969 -12.589 -4.797 770 HG SER 103 HG SER 103 -1.365 -13.931 -6.585 771 H GLY 104 H GLY 104 -3.154 -16.445 -4.024 772 1HA GLY 104 1HA GLY 104 -2.846 -15.621 -1.266 773 2HA GLY 104 2HA GLY 104 -2.847 -17.252 -1.908 Start of MODEL 16 1 1H GLY 0 1H GLY 0 -11.499 -16.263 -7.361 2 1HA GLY 0 1HA GLY 0 -9.740 -15.899 -8.792 3 2HA GLY 0 2HA GLY 0 -10.128 -17.361 -9.677 4 H SER 1 H SER 1 -10.072 -14.029 -9.903 5 HA SER 1 HA SER 1 -11.970 -14.149 -12.090 6 1HB SER 1 1HB SER 1 -13.300 -13.112 -10.390 7 2HB SER 1 2HB SER 1 -11.964 -12.130 -9.821 8 HG SER 1 HG SER 1 -13.659 -11.071 -11.239 9 H SER 2 H SER 2 -11.395 -12.792 -13.880 10 HA SER 2 HA SER 2 -8.956 -11.257 -13.497 11 1HB SER 2 1HB SER 2 -8.743 -13.665 -14.628 12 2HB SER 2 2HB SER 2 -9.338 -12.827 -16.048 13 HG SER 2 HG SER 2 -7.413 -11.939 -16.320 14 H GLY 3 H GLY 3 -8.640 -9.588 -15.253 15 1HA GLY 3 1HA GLY 3 -10.479 -9.029 -17.249 16 2HA GLY 3 2HA GLY 3 -11.072 -8.236 -15.804 17 H SER 4 H SER 4 -10.659 -6.203 -17.058 18 HA SER 4 HA SER 4 -7.987 -5.313 -16.463 19 1HB SER 4 1HB SER 4 -9.193 -4.911 -19.234 20 2HB SER 4 2HB SER 4 -7.625 -4.345 -18.693 21 HG SER 4 HG SER 4 -8.123 -6.651 -19.877 22 H SER 5 H SER 5 -9.221 -4.159 -14.780 23 HA SER 5 HA SER 5 -9.821 -1.581 -15.491 24 1HB SER 5 1HB SER 5 -12.056 -3.401 -15.884 25 2HB SER 5 2HB SER 5 -12.448 -2.263 -14.610 26 HG SER 5 HG SER 5 -11.214 -1.149 -16.901 27 H GLY 6 H GLY 6 -8.996 -0.704 -13.626 28 1HA GLY 6 1HA GLY 6 -9.747 -0.190 -11.324 29 2HA GLY 6 2HA GLY 6 -9.848 -1.920 -11.065 30 H THR 7 H THR 7 -8.135 0.222 -9.756 31 HA THR 7 HA THR 7 -5.590 -1.187 -10.112 32 HB THR 7 HB THR 7 -4.588 1.247 -9.836 33 HG1 THR 7 HG1 THR 7 -7.252 1.630 -11.007 34 1HG2 THR 7 1HG2 THR 7 -4.523 1.581 -12.221 35 2HG2 THR 7 2HG2 THR 7 -4.611 -0.185 -12.013 36 3HG2 THR 7 3HG2 THR 7 -6.071 0.734 -12.454 37 HA PRO 8 HA PRO 8 -5.435 -1.088 -5.827 38 1HB PRO 8 1HB PRO 8 -2.763 -0.921 -5.275 39 2HB PRO 8 2HB PRO 8 -3.550 -2.410 -5.760 40 1HG PRO 8 1HG PRO 8 -1.793 -0.641 -7.348 41 2HG PRO 8 2HG PRO 8 -2.236 -2.309 -7.652 42 1HD PRO 8 1HD PRO 8 -3.274 0.012 -8.979 43 2HD PRO 8 2HD PRO 8 -3.800 -1.645 -9.201 44 H LEU 9 H LEU 9 -3.250 1.391 -7.074 45 HA LEU 9 HA LEU 9 -3.318 2.980 -4.810 46 1HB LEU 9 1HB LEU 9 -1.670 3.298 -6.487 47 2HB LEU 9 2HB LEU 9 -2.875 3.592 -7.726 48 HG LEU 9 HG LEU 9 -3.464 5.725 -6.746 49 1HD1 LEU 9 1HD1 LEU 9 -3.345 5.511 -4.444 50 2HD1 LEU 9 2HD1 LEU 9 -1.707 4.815 -4.484 51 3HD1 LEU 9 3HD1 LEU 9 -1.945 6.549 -4.805 52 1HD2 LEU 9 1HD2 LEU 9 -1.679 5.840 -8.312 53 2HD2 LEU 9 2HD2 LEU 9 -1.247 6.901 -6.950 54 3HD2 LEU 9 3HD2 LEU 9 -0.490 5.297 -7.103 55 H SER 10 H SER 10 -5.478 2.914 -7.705 56 HA SER 10 HA SER 10 -7.000 5.093 -6.845 57 1HB SER 10 1HB SER 10 -6.860 4.150 -9.202 58 2HB SER 10 2HB SER 10 -7.869 2.817 -8.678 59 HG SER 10 HG SER 10 -8.608 5.354 -9.419 60 H LEU 11 H LEU 11 -7.203 1.537 -6.375 61 HA LEU 11 HA LEU 11 -9.776 1.551 -5.227 62 1HB LEU 11 1HB LEU 11 -7.495 -0.369 -5.407 63 2HB LEU 11 2HB LEU 11 -8.783 -0.694 -4.263 64 HG LEU 11 HG LEU 11 -9.377 -0.135 -7.168 65 1HD1 LEU 11 1HD1 LEU 11 -8.732 -2.153 -7.872 66 2HD1 LEU 11 2HD1 LEU 11 -7.750 -2.218 -6.388 67 3HD1 LEU 11 3HD1 LEU 11 -9.365 -2.965 -6.420 68 1HD2 LEU 11 1HD2 LEU 11 -11.497 -0.710 -6.705 69 2HD2 LEU 11 2HD2 LEU 11 -11.016 -2.026 -5.607 70 3HD2 LEU 11 3HD2 LEU 11 -11.041 -0.344 -5.024 71 H THR 12 H THR 12 -6.430 1.634 -3.850 72 HA THR 12 HA THR 12 -7.206 1.593 -1.170 73 HB THR 12 HB THR 12 -4.865 2.716 -0.948 74 HG1 THR 12 HG1 THR 12 -4.816 3.744 -3.015 75 1HG2 THR 12 1HG2 THR 12 -5.539 0.088 -2.183 76 2HG2 THR 12 2HG2 THR 12 -3.902 0.675 -2.562 77 3HG2 THR 12 3HG2 THR 12 -4.399 0.457 -0.867 78 H LEU 13 H LEU 13 -6.645 4.385 -3.398 79 HA LEU 13 HA LEU 13 -7.224 6.298 -1.412 80 1HB LEU 13 1HB LEU 13 -7.228 6.445 -4.428 81 2HB LEU 13 2HB LEU 13 -7.424 7.830 -3.373 82 HG LEU 13 HG LEU 13 -5.005 6.058 -3.110 83 1HD1 LEU 13 1HD1 LEU 13 -3.819 7.614 -4.670 84 2HD1 LEU 13 2HD1 LEU 13 -5.017 6.552 -5.450 85 3HD1 LEU 13 3HD1 LEU 13 -5.407 8.262 -5.146 86 1HD2 LEU 13 1HD2 LEU 13 -3.990 8.267 -2.413 87 2HD2 LEU 13 2HD2 LEU 13 -5.640 8.935 -2.433 88 3HD2 LEU 13 3HD2 LEU 13 -5.233 7.601 -1.328 89 H ASP 14 H ASP 14 -9.181 4.391 -3.700 90 HA ASP 14 HA ASP 14 -11.470 5.935 -3.541 91 1HB ASP 14 1HB ASP 14 -10.813 3.080 -4.231 92 2HB ASP 14 2HB ASP 14 -12.499 3.452 -3.929 93 H HIS 15 H HIS 15 -10.048 3.365 -1.485 94 HA HIS 15 HA HIS 15 -12.338 3.640 0.323 95 1HB HIS 15 1HB HIS 15 -10.532 1.302 -0.289 96 2HB HIS 15 2HB HIS 15 -11.434 1.383 1.212 97 HD1 HIS 15 HD1 HIS 15 -14.187 2.242 0.465 98 HD2 HIS 15 HD2 HIS 15 -11.925 -0.294 -1.993 99 HE1 HIS 15 HE1 HIS 15 -15.858 0.995 -1.006 100 H TRP 16 H TRP 16 -10.354 5.639 0.279 101 HA TRP 16 HA TRP 16 -8.158 5.263 1.873 102 1HB TRP 16 1HB TRP 16 -8.635 7.283 0.576 103 2HB TRP 16 2HB TRP 16 -9.938 7.699 1.672 104 HD1 TRP 16 HD1 TRP 16 -9.123 9.625 3.224 105 HE1 TRP 16 HE1 TRP 16 -6.947 10.329 4.542 106 HE3 TRP 16 HE3 TRP 16 -6.263 5.736 1.627 107 HZ2 TRP 16 HZ2 TRP 16 -4.334 9.205 4.764 108 HZ3 TRP 16 HZ3 TRP 16 -3.910 5.613 2.442 109 HH2 TRP 16 HH2 TRP 16 -2.937 7.266 3.957 110 H SER 17 H SER 17 -11.620 5.721 2.716 111 HA SER 17 HA SER 17 -11.361 6.231 5.373 112 1HB SER 17 1HB SER 17 -13.464 6.016 3.784 113 2HB SER 17 2HB SER 17 -13.516 4.362 4.360 114 HG SER 17 HG SER 17 -13.182 6.216 6.426 115 H GLU 18 H GLU 18 -11.223 3.105 3.597 116 HA GLU 18 HA GLU 18 -11.172 1.565 5.963 117 1HB GLU 18 1HB GLU 18 -11.976 0.418 4.064 118 2HB GLU 18 2HB GLU 18 -10.702 1.025 3.025 119 1HG GLU 18 1HG GLU 18 -9.062 -0.446 3.974 120 2HG GLU 18 2HG GLU 18 -10.055 -0.791 5.376 121 H ILE 19 H ILE 19 -8.718 2.899 3.690 122 HA ILE 19 HA ILE 19 -6.526 1.554 4.815 123 HB ILE 19 HB ILE 19 -6.567 4.194 3.351 124 1HG1 ILE 19 1HG1 ILE 19 -7.850 2.473 2.133 125 2HG1 ILE 19 2HG1 ILE 19 -6.391 2.954 1.290 126 1HG2 ILE 19 1HG2 ILE 19 -4.304 3.553 2.648 127 2HG2 ILE 19 2HG2 ILE 19 -4.433 3.704 4.417 128 3HG2 ILE 19 3HG2 ILE 19 -4.404 2.093 3.661 129 1HD1 ILE 19 1HD1 ILE 19 -5.205 0.947 2.114 130 2HD1 ILE 19 2HD1 ILE 19 -6.642 0.471 3.050 131 3HD1 ILE 19 3HD1 ILE 19 -6.702 0.481 1.271 132 H ARG 20 H ARG 20 -8.315 4.512 5.672 133 HA ARG 20 HA ARG 20 -6.330 5.476 7.397 134 1HB ARG 20 1HB ARG 20 -9.312 6.023 7.089 135 2HB ARG 20 2HB ARG 20 -8.376 6.815 8.341 136 1HG ARG 20 1HG ARG 20 -6.727 7.357 6.286 137 2HG ARG 20 2HG ARG 20 -8.186 7.123 5.344 138 1HD ARG 20 1HD ARG 20 -8.025 9.005 7.746 139 2HD ARG 20 2HD ARG 20 -7.768 9.528 6.093 140 HE ARG 20 HE ARG 20 -10.238 8.107 6.170 141 1HH1 ARG 20 1HH1 ARG 20 -8.848 11.097 7.400 142 2HH1 ARG 20 2HH1 ARG 20 -10.364 11.933 7.445 143 1HH2 ARG 20 1HH2 ARG 20 -12.238 9.210 6.228 144 2HH2 ARG 20 2HH2 ARG 20 -12.306 10.852 6.774 145 H SER 21 H SER 21 -8.923 3.086 7.638 146 HA SER 21 HA SER 21 -9.110 3.153 10.447 147 1HB SER 21 1HB SER 21 -10.489 1.924 8.308 148 2HB SER 21 2HB SER 21 -9.840 0.586 9.236 149 HG SER 21 HG SER 21 -10.858 1.440 11.140 150 H ARG 22 H ARG 22 -7.466 0.989 8.040 151 HA ARG 22 HA ARG 22 -6.454 -0.824 9.771 152 1HB ARG 22 1HB ARG 22 -5.222 0.350 7.231 153 2HB ARG 22 2HB ARG 22 -4.566 -1.061 8.038 154 1HG ARG 22 1HG ARG 22 -7.294 -1.671 7.835 155 2HG ARG 22 2HG ARG 22 -6.973 -0.821 6.337 156 1HD ARG 22 1HD ARG 22 -4.824 -2.403 6.243 157 2HD ARG 22 2HD ARG 22 -5.748 -3.397 7.352 158 HE ARG 22 HE ARG 22 -6.394 -2.853 4.521 159 1HH1 ARG 22 1HH1 ARG 22 -7.496 -4.159 7.597 160 2HH1 ARG 22 2HH1 ARG 22 -8.747 -5.122 6.885 161 1HH2 ARG 22 1HH2 ARG 22 -8.044 -4.123 3.581 162 2HH2 ARG 22 2HH2 ARG 22 -9.061 -5.102 4.585 163 H ALA 23 H ALA 23 -5.214 2.444 8.898 164 HA ALA 23 HA ALA 23 -2.733 2.225 10.171 165 1HB ALA 23 1HB ALA 23 -2.534 4.235 9.190 166 2HB ALA 23 2HB ALA 23 -4.251 4.154 8.727 167 3HB ALA 23 3HB ALA 23 -3.778 4.913 10.266 168 H HIS 24 H HIS 24 -6.017 3.136 11.319 169 HA HIS 24 HA HIS 24 -5.170 4.040 13.832 170 1HB HIS 24 1HB HIS 24 -7.511 4.049 12.416 171 2HB HIS 24 2HB HIS 24 -7.863 2.837 13.633 172 HD1 HIS 24 HD1 HIS 24 -9.032 3.847 15.581 173 HD2 HIS 24 HD2 HIS 24 -6.205 6.468 13.927 174 HE1 HIS 24 HE1 HIS 24 -9.120 5.974 16.988 175 H ASN 25 H ASN 25 -6.323 0.836 12.615 176 HA ASN 25 HA ASN 25 -6.287 -0.400 15.089 177 1HB ASN 25 1HB ASN 25 -6.883 -1.115 12.426 178 2HB ASN 25 2HB ASN 25 -5.531 -2.156 12.827 179 1HD2 ASN 25 1HD2 ASN 25 -8.783 -1.178 13.668 180 2HD2 ASN 25 2HD2 ASN 25 -9.215 -2.556 14.625 181 H LEU 26 H LEU 26 -3.804 0.230 12.578 182 HA LEU 26 HA LEU 26 -1.857 -1.478 13.816 183 1HB LEU 26 1HB LEU 26 -1.711 0.516 11.554 184 2HB LEU 26 2HB LEU 26 -0.355 -0.451 12.097 185 HG LEU 26 HG LEU 26 -2.957 -1.592 11.044 186 1HD1 LEU 26 1HD1 LEU 26 -0.997 -0.280 9.574 187 2HD1 LEU 26 2HD1 LEU 26 -0.603 -2.006 9.383 188 3HD1 LEU 26 3HD1 LEU 26 -2.224 -1.409 8.951 189 1HD2 LEU 26 1HD2 LEU 26 -0.329 -2.868 11.825 190 2HD2 LEU 26 2HD2 LEU 26 -1.951 -3.182 12.488 191 3HD2 LEU 26 3HD2 LEU 26 -1.557 -3.681 10.825 192 H SER 27 H SER 27 -3.101 1.718 14.292 193 HA SER 27 HA SER 27 -2.619 3.182 15.842 194 1HB SER 27 1HB SER 27 -1.649 1.165 17.139 195 2HB SER 27 2HB SER 27 -0.073 1.684 16.574 196 HG SER 27 HG SER 27 -0.212 2.789 18.453 197 H VAL 28 H VAL 28 -1.976 3.668 13.201 198 HA VAL 28 HA VAL 28 0.380 5.352 13.506 199 HB VAL 28 HB VAL 28 0.949 4.612 11.085 200 1HG1 VAL 28 1HG1 VAL 28 2.185 2.523 12.170 201 2HG1 VAL 28 2HG1 VAL 28 2.641 4.194 12.578 202 3HG1 VAL 28 3HG1 VAL 28 1.596 3.263 13.678 203 1HG2 VAL 28 1HG2 VAL 28 -1.160 3.176 10.958 204 2HG2 VAL 28 2HG2 VAL 28 0.358 2.420 10.419 205 3HG2 VAL 28 3HG2 VAL 28 -0.313 2.025 12.020 206 H GLU 29 H GLU 29 0.385 7.174 12.007 207 HA GLU 29 HA GLU 29 -2.309 7.651 10.998 208 1HB GLU 29 1HB GLU 29 -1.152 9.114 12.900 209 2HB GLU 29 2HB GLU 29 -0.350 9.883 11.544 210 1HG GLU 29 1HG GLU 29 -2.352 10.740 10.656 211 2HG GLU 29 2HG GLU 29 -3.339 9.489 11.386 212 H ILE 30 H ILE 30 -2.593 8.243 8.840 213 HA ILE 30 HA ILE 30 -0.189 8.839 7.300 214 HB ILE 30 HB ILE 30 -0.815 7.246 5.567 215 1HG1 ILE 30 1HG1 ILE 30 -2.975 6.385 7.510 216 2HG1 ILE 30 2HG1 ILE 30 -3.205 7.096 5.925 217 1HG2 ILE 30 1HG2 ILE 30 0.274 5.472 6.514 218 2HG2 ILE 30 2HG2 ILE 30 0.662 6.742 7.699 219 3HG2 ILE 30 3HG2 ILE 30 -0.638 5.574 8.039 220 1HD1 ILE 30 1HD1 ILE 30 -1.482 4.653 6.000 221 2HD1 ILE 30 2HD1 ILE 30 -3.206 4.409 6.366 222 3HD1 ILE 30 3HD1 ILE 30 -2.720 5.136 4.816 223 H LYS 31 H LYS 31 -0.814 9.668 5.053 224 HA LYS 31 HA LYS 31 -3.390 11.069 5.258 225 1HB LYS 31 1HB LYS 31 -0.648 12.081 4.706 226 2HB LYS 31 2HB LYS 31 -1.934 12.744 3.719 227 1HG LYS 31 1HG LYS 31 -3.027 12.729 6.317 228 2HG LYS 31 2HG LYS 31 -1.355 13.189 6.572 229 1HD LYS 31 1HD LYS 31 -2.413 15.264 6.169 230 2HD LYS 31 2HD LYS 31 -1.711 14.877 4.610 231 1HE LYS 31 1HE LYS 31 -3.969 13.806 3.986 232 2HE LYS 31 2HE LYS 31 -4.617 14.500 5.459 233 1HZ LYS 31 1HZ LYS 31 -4.313 16.617 4.663 234 2HZ LYS 31 2HZ LYS 31 -3.190 16.191 3.557 235 3HZ LYS 31 3HZ LYS 31 -4.761 15.823 3.309 236 H LYS 32 H LYS 32 -4.173 11.815 3.004 237 HA LYS 32 HA LYS 32 -3.942 9.492 1.273 238 1HB LYS 32 1HB LYS 32 -6.179 10.187 1.879 239 2HB LYS 32 2HB LYS 32 -5.875 11.825 1.336 240 1HG LYS 32 1HG LYS 32 -5.288 10.671 -0.978 241 2HG LYS 32 2HG LYS 32 -6.181 9.310 -0.329 242 1HD LYS 32 1HD LYS 32 -7.775 11.610 0.224 243 2HD LYS 32 2HD LYS 32 -7.199 11.819 -1.417 244 1HE LYS 32 1HE LYS 32 -8.053 9.045 -0.926 245 2HE LYS 32 2HE LYS 32 -9.343 10.181 -0.585 246 1HZ LYS 32 1HZ LYS 32 -9.162 9.433 -2.926 247 2HZ LYS 32 2HZ LYS 32 -9.172 11.055 -2.742 248 3HZ LYS 32 3HZ LYS 32 -7.771 10.278 -3.061 249 H GLY 33 H GLY 33 -2.873 12.821 1.578 250 1HA GLY 33 1HA GLY 33 -2.419 13.357 -1.168 251 2HA GLY 33 2HA GLY 33 -1.711 14.179 0.208 252 HA PRO 34 HA PRO 34 1.943 11.812 -0.151 253 1HB PRO 34 1HB PRO 34 2.441 10.526 2.209 254 2HB PRO 34 2HB PRO 34 2.732 12.238 1.970 255 1HG PRO 34 1HG PRO 34 0.544 10.919 3.458 256 2HG PRO 34 2HG PRO 34 1.093 12.580 3.557 257 1HD PRO 34 1HD PRO 34 -1.252 11.626 2.210 258 2HD PRO 34 2HD PRO 34 -0.640 13.267 2.212 259 H TRP 35 H TRP 35 -0.510 9.721 1.230 260 HA TRP 35 HA TRP 35 0.589 7.295 0.649 261 1HB TRP 35 1HB TRP 35 -1.421 7.456 1.902 262 2HB TRP 35 2HB TRP 35 -2.273 8.239 0.586 263 HD1 TRP 35 HD1 TRP 35 -2.684 6.544 -1.677 264 HE1 TRP 35 HE1 TRP 35 -3.291 3.980 -1.821 265 HE3 TRP 35 HE3 TRP 35 -1.121 5.374 3.018 266 HZ2 TRP 35 HZ2 TRP 35 -3.054 1.799 0.005 267 HZ3 TRP 35 HZ3 TRP 35 -1.344 3.004 3.759 268 HH2 TRP 35 HH2 TRP 35 -2.272 1.246 2.337 269 H ARG 36 H ARG 36 -0.994 9.694 -1.503 270 HA ARG 36 HA ARG 36 -1.039 7.938 -3.704 271 1HB ARG 36 1HB ARG 36 -2.561 9.941 -3.405 272 2HB ARG 36 2HB ARG 36 -1.184 10.995 -3.656 273 1HG ARG 36 1HG ARG 36 -1.196 10.680 -5.923 274 2HG ARG 36 2HG ARG 36 -1.447 8.952 -5.778 275 1HD ARG 36 1HD ARG 36 -3.567 9.350 -6.523 276 2HD ARG 36 2HD ARG 36 -3.897 9.960 -4.913 277 HE ARG 36 HE ARG 36 -2.826 12.171 -6.121 278 1HH1 ARG 36 1HH1 ARG 36 -5.340 9.929 -7.136 279 2HH1 ARG 36 2HH1 ARG 36 -6.195 11.110 -8.071 280 1HH2 ARG 36 1HH2 ARG 36 -3.953 13.731 -7.354 281 2HH2 ARG 36 2HH2 ARG 36 -5.400 13.287 -8.196 282 H THR 37 H THR 37 1.029 10.740 -2.678 283 HA THR 37 HA THR 37 2.711 10.779 -4.891 284 HB THR 37 HB THR 37 2.936 11.599 -1.966 285 HG1 THR 37 HG1 THR 37 2.760 12.791 -4.640 286 1HG2 THR 37 1HG2 THR 37 4.861 12.960 -3.615 287 2HG2 THR 37 2HG2 THR 37 5.181 11.956 -2.180 288 3HG2 THR 37 3HG2 THR 37 5.153 11.214 -3.797 289 H PHE 38 H PHE 38 3.091 8.996 -1.760 290 HA PHE 38 HA PHE 38 5.521 7.836 -2.417 291 1HB PHE 38 1HB PHE 38 3.108 6.958 -0.726 292 2HB PHE 38 2HB PHE 38 4.637 6.104 -0.676 293 HD1 PHE 38 HD1 PHE 38 6.473 8.510 -0.823 294 HD2 PHE 38 HD2 PHE 38 2.993 7.755 1.485 295 HE1 PHE 38 HE1 PHE 38 7.299 10.093 0.941 296 HE2 PHE 38 HE2 PHE 38 3.820 9.337 3.249 297 HZ PHE 38 HZ PHE 38 5.963 10.487 2.956 298 H CYS 39 H CYS 39 2.213 7.075 -3.432 299 HA CYS 39 HA CYS 39 3.193 4.583 -4.603 300 1HB CYS 39 1HB CYS 39 1.113 4.657 -3.058 301 2HB CYS 39 2HB CYS 39 0.287 5.388 -4.420 302 HG CYS 39 HG CYS 39 1.443 3.413 -6.082 303 H ALA 40 H ALA 40 3.423 7.629 -5.410 304 HA ALA 40 HA ALA 40 2.055 7.477 -7.990 305 1HB ALA 40 1HB ALA 40 2.692 9.912 -8.093 306 2HB ALA 40 2HB ALA 40 1.639 9.497 -6.719 307 3HB ALA 40 3HB ALA 40 3.383 9.748 -6.460 308 H SER 41 H SER 41 5.284 8.489 -6.644 309 HA SER 41 HA SER 41 6.533 6.952 -8.717 310 1HB SER 41 1HB SER 41 6.006 9.490 -9.435 311 2HB SER 41 2HB SER 41 7.466 9.808 -8.519 312 HG SER 41 HG SER 41 7.137 8.185 -10.874 313 H GLU 42 H GLU 42 6.396 6.617 -5.882 314 HA GLU 42 HA GLU 42 9.102 7.404 -5.125 315 1HB GLU 42 1HB GLU 42 7.025 8.301 -3.797 316 2HB GLU 42 2HB GLU 42 6.932 6.683 -3.133 317 1HG GLU 42 1HG GLU 42 8.328 7.687 -1.559 318 2HG GLU 42 2HG GLU 42 9.527 7.032 -2.657 319 H TRP 43 H TRP 43 6.539 4.862 -4.740 320 HA TRP 43 HA TRP 43 8.437 2.942 -3.796 321 1HB TRP 43 1HB TRP 43 5.528 2.826 -4.575 322 2HB TRP 43 2HB TRP 43 6.438 1.387 -4.157 323 HD1 TRP 43 HD1 TRP 43 8.086 3.150 -1.741 324 HE1 TRP 43 HE1 TRP 43 6.909 3.470 0.599 325 HE3 TRP 43 HE3 TRP 43 3.374 2.189 -3.392 326 HZ2 TRP 43 HZ2 TRP 43 4.199 3.290 1.477 327 HZ3 TRP 43 HZ3 TRP 43 1.519 2.282 -1.729 328 HH2 TRP 43 HH2 TRP 43 1.872 2.810 0.631 329 HA PRO 44 HA PRO 44 7.853 1.606 -8.324 330 1HB PRO 44 1HB PRO 44 6.788 3.381 -10.108 331 2HB PRO 44 2HB PRO 44 5.846 2.128 -9.323 332 1HG PRO 44 1HG PRO 44 5.895 5.032 -8.770 333 2HG PRO 44 2HG PRO 44 4.686 3.847 -8.313 334 1HD PRO 44 1HD PRO 44 6.688 5.001 -6.613 335 2HD PRO 44 2HD PRO 44 5.556 3.733 -6.188 336 H THR 45 H THR 45 9.285 4.190 -7.021 337 HA THR 45 HA THR 45 11.106 4.434 -9.326 338 HB THR 45 HB THR 45 11.588 6.721 -8.275 339 HG1 THR 45 HG1 THR 45 10.641 6.908 -6.286 340 1HG2 THR 45 1HG2 THR 45 9.764 6.320 -10.110 341 2HG2 THR 45 2HG2 THR 45 8.596 6.392 -8.769 342 3HG2 THR 45 3HG2 THR 45 9.622 7.800 -9.132 343 H PHE 46 H PHE 46 10.946 2.433 -6.989 344 HA PHE 46 HA PHE 46 13.510 3.100 -5.749 345 1HB PHE 46 1HB PHE 46 11.103 1.322 -5.163 346 2HB PHE 46 2HB PHE 46 12.637 0.905 -4.427 347 HD1 PHE 46 HD1 PHE 46 11.230 1.231 -2.307 348 HD2 PHE 46 HD2 PHE 46 12.293 4.420 -4.896 349 HE1 PHE 46 HE1 PHE 46 10.790 2.875 -0.462 350 HE2 PHE 46 HE2 PHE 46 11.854 6.065 -3.051 351 HZ PHE 46 HZ PHE 46 11.107 5.273 -0.856 352 H ASP 47 H ASP 47 11.993 1.090 -8.157 353 HA ASP 47 HA ASP 47 12.865 -0.322 -9.571 354 1HB ASP 47 1HB ASP 47 15.503 -0.303 -8.047 355 2HB ASP 47 2HB ASP 47 15.250 -0.747 -9.724 356 H VAL 48 H VAL 48 11.593 -2.119 -8.870 357 HA VAL 48 HA VAL 48 12.974 -4.238 -7.620 358 HB VAL 48 HB VAL 48 11.162 -4.311 -5.720 359 1HG1 VAL 48 1HG1 VAL 48 12.875 -3.911 -4.295 360 2HG1 VAL 48 2HG1 VAL 48 13.837 -3.852 -5.792 361 3HG1 VAL 48 3HG1 VAL 48 13.271 -2.342 -5.037 362 1HG2 VAL 48 1HG2 VAL 48 9.861 -2.400 -6.178 363 2HG2 VAL 48 2HG2 VAL 48 10.888 -1.929 -4.802 364 3HG2 VAL 48 3HG2 VAL 48 11.295 -1.379 -6.446 365 H GLY 49 H GLY 49 9.642 -2.840 -8.033 366 1HA GLY 49 1HA GLY 49 8.806 -4.285 -10.162 367 2HA GLY 49 2HA GLY 49 8.588 -5.404 -8.831 368 H TRP 50 H TRP 50 8.327 -1.819 -8.616 369 HA TRP 50 HA TRP 50 5.511 -2.204 -7.878 370 1HB TRP 50 1HB TRP 50 7.089 -1.302 -6.155 371 2HB TRP 50 2HB TRP 50 7.337 0.099 -7.179 372 HD1 TRP 50 HD1 TRP 50 5.287 1.885 -7.318 373 HE1 TRP 50 HE1 TRP 50 3.137 2.363 -5.864 374 HE3 TRP 50 HE3 TRP 50 5.353 -2.541 -4.815 375 HZ2 TRP 50 HZ2 TRP 50 1.737 0.871 -3.875 376 HZ3 TRP 50 HZ3 TRP 50 3.559 -2.951 -3.133 377 HH2 TRP 50 HH2 TRP 50 1.794 -1.332 -2.648 378 HA PRO 51 HA PRO 51 4.887 -0.138 -11.711 379 1HB PRO 51 1HB PRO 51 2.180 -0.485 -11.843 380 2HB PRO 51 2HB PRO 51 3.328 -1.680 -12.413 381 1HG PRO 51 1HG PRO 51 1.691 -1.709 -9.952 382 2HG PRO 51 2HG PRO 51 2.503 -3.043 -10.746 383 1HD PRO 51 1HD PRO 51 3.364 -1.677 -8.375 384 2HD PRO 51 2HD PRO 51 4.233 -2.933 -9.235 385 HA PRO 52 HA PRO 52 3.571 3.780 -10.750 386 1HB PRO 52 1HB PRO 52 2.424 4.725 -13.043 387 2HB PRO 52 2HB PRO 52 4.157 4.651 -12.799 388 1HG PRO 52 1HG PRO 52 2.443 2.904 -14.456 389 2HG PRO 52 2HG PRO 52 4.181 3.122 -14.525 390 1HD PRO 52 1HD PRO 52 2.773 0.902 -13.375 391 2HD PRO 52 2HD PRO 52 4.504 1.177 -13.342 392 H GLU 53 H GLU 53 1.395 1.371 -11.177 393 HA GLU 53 HA GLU 53 -0.755 3.172 -10.372 394 1HB GLU 53 1HB GLU 53 -0.854 0.509 -11.848 395 2HB GLU 53 2HB GLU 53 -2.279 1.281 -11.182 396 1HG GLU 53 1HG GLU 53 -2.144 1.947 -13.501 397 2HG GLU 53 2HG GLU 53 -1.722 3.354 -12.544 398 H GLY 54 H GLY 54 1.489 0.903 -9.271 399 1HA GLY 54 1HA GLY 54 1.687 0.177 -7.099 400 2HA GLY 54 2HA GLY 54 -0.005 0.522 -6.804 401 H THR 55 H THR 55 0.977 -1.868 -5.857 402 HA THR 55 HA THR 55 -0.612 -3.745 -7.350 403 HB THR 55 HB THR 55 2.017 -3.533 -8.159 404 HG1 THR 55 HG1 THR 55 1.026 -5.132 -9.319 405 1HG2 THR 55 1HG2 THR 55 3.329 -5.282 -7.190 406 2HG2 THR 55 2HG2 THR 55 2.644 -4.447 -5.774 407 3HG2 THR 55 3HG2 THR 55 1.926 -5.975 -6.340 408 H PHE 56 H PHE 56 -1.273 -5.527 -6.114 409 HA PHE 56 HA PHE 56 -0.751 -5.132 -3.270 410 1HB PHE 56 1HB PHE 56 -2.851 -6.566 -4.989 411 2HB PHE 56 2HB PHE 56 -2.788 -6.813 -3.255 412 HD1 PHE 56 HD1 PHE 56 -2.316 -4.188 -2.157 413 HD2 PHE 56 HD2 PHE 56 -4.710 -5.295 -5.480 414 HE1 PHE 56 HE1 PHE 56 -3.736 -2.147 -1.813 415 HE2 PHE 56 HE2 PHE 56 -6.131 -3.254 -5.137 416 HZ PHE 56 HZ PHE 56 -5.626 -1.705 -3.308 417 H ASP 57 H ASP 57 1.460 -6.227 -4.454 418 HA ASP 57 HA ASP 57 1.142 -9.085 -4.003 419 1HB ASP 57 1HB ASP 57 2.064 -8.294 -6.229 420 2HB ASP 57 2HB ASP 57 3.416 -7.576 -5.376 421 H LEU 58 H LEU 58 1.684 -9.523 -1.848 422 HA LEU 58 HA LEU 58 3.125 -7.886 -0.189 423 1HB LEU 58 1HB LEU 58 1.650 -9.823 0.400 424 2HB LEU 58 2HB LEU 58 2.965 -10.897 -0.033 425 HG LEU 58 HG LEU 58 4.274 -9.335 1.726 426 1HD1 LEU 58 1HD1 LEU 58 1.382 -9.263 2.623 427 2HD1 LEU 58 2HD1 LEU 58 2.778 -8.902 3.667 428 3HD1 LEU 58 3HD1 LEU 58 2.437 -7.878 2.251 429 1HD2 LEU 58 1HD2 LEU 58 3.722 -11.081 3.452 430 2HD2 LEU 58 2HD2 LEU 58 2.548 -11.754 2.296 431 3HD2 LEU 58 3HD2 LEU 58 4.279 -11.709 1.882 432 H THR 59 H THR 59 4.235 -10.086 -2.712 433 HA THR 59 HA THR 59 6.867 -10.444 -1.791 434 HB THR 59 HB THR 59 5.641 -10.450 -4.600 435 HG1 THR 59 HG1 THR 59 4.695 -12.011 -3.180 436 1HG2 THR 59 1HG2 THR 59 7.655 -12.389 -4.425 437 2HG2 THR 59 2HG2 THR 59 7.804 -10.832 -5.275 438 3HG2 THR 59 3HG2 THR 59 8.377 -10.988 -3.597 439 H VAL 60 H VAL 60 5.505 -8.061 -4.163 440 HA VAL 60 HA VAL 60 7.985 -6.705 -4.371 441 HB VAL 60 HB VAL 60 5.883 -6.867 -5.942 442 1HG1 VAL 60 1HG1 VAL 60 4.209 -5.865 -4.595 443 2HG1 VAL 60 2HG1 VAL 60 5.255 -4.485 -4.182 444 3HG1 VAL 60 3HG1 VAL 60 4.618 -4.655 -5.836 445 1HG2 VAL 60 1HG2 VAL 60 8.115 -5.049 -5.698 446 2HG2 VAL 60 2HG2 VAL 60 7.353 -5.714 -7.162 447 3HG2 VAL 60 3HG2 VAL 60 6.723 -4.217 -6.433 448 H ILE 61 H ILE 61 4.983 -6.291 -2.432 449 HA ILE 61 HA ILE 61 5.524 -3.790 -1.401 450 HB ILE 61 HB ILE 61 4.049 -6.170 -0.292 451 1HG1 ILE 61 1HG1 ILE 61 2.866 -3.587 -1.294 452 2HG1 ILE 61 2HG1 ILE 61 3.326 -4.851 -2.418 453 1HG2 ILE 61 1HG2 ILE 61 4.934 -4.623 1.511 454 2HG2 ILE 61 2HG2 ILE 61 3.889 -3.362 0.813 455 3HG2 ILE 61 3HG2 ILE 61 3.169 -4.854 1.463 456 1HD1 ILE 61 1HD1 ILE 61 1.339 -5.075 -0.116 457 2HD1 ILE 61 2HD1 ILE 61 0.999 -5.204 -1.858 458 3HD1 ILE 61 3HD1 ILE 61 1.929 -6.480 -1.037 459 H PHE 62 H PHE 62 6.496 -7.057 -0.169 460 HA PHE 62 HA PHE 62 7.766 -6.235 2.114 461 1HB PHE 62 1HB PHE 62 7.683 -8.508 0.230 462 2HB PHE 62 2HB PHE 62 9.303 -8.325 0.872 463 HD1 PHE 62 HD1 PHE 62 9.753 -9.692 2.659 464 HD2 PHE 62 HD2 PHE 62 5.832 -8.118 2.258 465 HE1 PHE 62 HE1 PHE 62 9.058 -10.890 4.752 466 HE2 PHE 62 HE2 PHE 62 5.137 -9.316 4.351 467 HZ PHE 62 HZ PHE 62 6.758 -10.688 5.573 468 H GLU 63 H GLU 63 8.885 -6.128 -1.285 469 HA GLU 63 HA GLU 63 11.565 -5.634 -0.626 470 1HB GLU 63 1HB GLU 63 9.873 -5.402 -3.114 471 2HB GLU 63 2HB GLU 63 11.463 -4.666 -3.112 472 1HG GLU 63 1HG GLU 63 11.236 -7.493 -2.089 473 2HG GLU 63 2HG GLU 63 11.083 -7.242 -3.817 474 H VAL 64 H VAL 64 8.827 -3.489 -1.673 475 HA VAL 64 HA VAL 64 10.284 -1.112 -1.527 476 HB VAL 64 HB VAL 64 7.367 -1.836 -1.435 477 1HG1 VAL 64 1HG1 VAL 64 8.588 0.927 -1.182 478 2HG1 VAL 64 2HG1 VAL 64 6.917 0.640 -1.723 479 3HG1 VAL 64 3HG1 VAL 64 7.424 0.135 -0.093 480 1HG2 VAL 64 1HG2 VAL 64 8.045 -0.082 -3.565 481 2HG2 VAL 64 2HG2 VAL 64 9.312 -1.329 -3.487 482 3HG2 VAL 64 3HG2 VAL 64 7.605 -1.804 -3.651 483 H LYS 65 H LYS 65 8.394 -2.974 0.902 484 HA LYS 65 HA LYS 65 8.499 -1.003 2.897 485 1HB LYS 65 1HB LYS 65 6.859 -2.714 3.055 486 2HB LYS 65 2HB LYS 65 8.051 -3.992 2.930 487 1HG LYS 65 1HG LYS 65 9.079 -2.947 5.115 488 2HG LYS 65 2HG LYS 65 7.540 -2.124 5.270 489 1HD LYS 65 1HD LYS 65 6.368 -4.079 5.714 490 2HD LYS 65 2HD LYS 65 7.404 -5.064 4.700 491 1HE LYS 65 1HE LYS 65 9.041 -4.072 6.842 492 2HE LYS 65 2HE LYS 65 7.552 -4.645 7.567 493 1HZ LYS 65 1HZ LYS 65 8.073 -6.584 5.839 494 2HZ LYS 65 2HZ LYS 65 9.595 -6.129 6.216 495 3HZ LYS 65 3HZ LYS 65 8.568 -6.602 7.395 496 H ALA 66 H ALA 66 10.576 -3.896 2.212 497 HA ALA 66 HA ALA 66 12.304 -3.565 4.345 498 1HB ALA 66 1HB ALA 66 12.075 -5.523 2.736 499 2HB ALA 66 2HB ALA 66 13.037 -4.577 1.574 500 3HB ALA 66 3HB ALA 66 13.746 -5.056 3.135 501 H ILE 67 H ILE 67 11.914 -1.721 1.372 502 HA ILE 67 HA ILE 67 14.536 -0.582 1.465 503 HB ILE 67 HB ILE 67 12.041 -0.057 -0.129 504 1HG1 ILE 67 1HG1 ILE 67 14.779 -0.914 -1.082 505 2HG1 ILE 67 2HG1 ILE 67 13.577 -2.068 -0.538 506 1HG2 ILE 67 1HG2 ILE 67 14.634 1.507 -0.181 507 2HG2 ILE 67 2HG2 ILE 67 13.394 1.562 -1.457 508 3HG2 ILE 67 3HG2 ILE 67 13.003 2.118 0.188 509 1HD1 ILE 67 1HD1 ILE 67 13.703 -1.413 -3.096 510 2HD1 ILE 67 2HD1 ILE 67 12.114 -1.607 -2.318 511 3HD1 ILE 67 3HD1 ILE 67 12.785 0.021 -2.578 512 H VAL 68 H VAL 68 11.178 0.502 2.290 513 HA VAL 68 HA VAL 68 12.049 3.012 3.256 514 HB VAL 68 HB VAL 68 9.831 3.378 3.768 515 1HG1 VAL 68 1HG1 VAL 68 8.965 3.077 1.726 516 2HG1 VAL 68 2HG1 VAL 68 10.425 2.130 1.349 517 3HG1 VAL 68 3HG1 VAL 68 8.950 1.307 1.910 518 1HG2 VAL 68 1HG2 VAL 68 9.328 0.396 4.020 519 2HG2 VAL 68 2HG2 VAL 68 9.653 1.485 5.390 520 3HG2 VAL 68 3HG2 VAL 68 8.196 1.717 4.394 521 H PHE 69 H PHE 69 11.622 -0.243 4.663 522 HA PHE 69 HA PHE 69 12.090 0.791 7.324 523 1HB PHE 69 1HB PHE 69 11.444 -1.856 5.955 524 2HB PHE 69 2HB PHE 69 12.066 -1.902 7.592 525 HD1 PHE 69 HD1 PHE 69 9.234 -0.928 5.488 526 HD2 PHE 69 HD2 PHE 69 10.730 -1.113 9.455 527 HE1 PHE 69 HE1 PHE 69 6.922 -0.528 6.380 528 HE2 PHE 69 HE2 PHE 69 8.418 -0.713 10.346 529 HZ PHE 69 HZ PHE 69 6.541 -0.425 8.798 530 H GLN 70 H GLN 70 14.221 1.191 5.337 531 HA GLN 70 HA GLN 70 16.161 -0.822 5.938 532 1HB GLN 70 1HB GLN 70 17.636 0.487 4.456 533 2HB GLN 70 2HB GLN 70 16.081 0.216 3.697 534 1HG GLN 70 1HG GLN 70 15.330 2.492 4.385 535 2HG GLN 70 2HG GLN 70 16.863 2.765 5.189 536 1HE2 GLN 70 1HE2 GLN 70 15.697 1.534 2.051 537 2HE2 GLN 70 2HE2 GLN 70 16.768 2.452 1.044 538 H ASP 71 H ASP 71 18.429 -0.078 6.718 539 HA ASP 71 HA ASP 71 17.960 1.654 8.997 540 1HB ASP 71 1HB ASP 71 18.920 -0.759 9.168 541 2HB ASP 71 2HB ASP 71 20.393 -0.104 8.480 542 H GLY 72 H GLY 72 18.571 2.373 6.027 543 1HA GLY 72 1HA GLY 72 21.159 3.744 6.397 544 2HA GLY 72 2HA GLY 72 20.423 3.322 4.863 545 HA PRO 73 HA PRO 73 19.273 7.632 5.835 546 1HB PRO 73 1HB PRO 73 20.450 8.858 3.695 547 2HB PRO 73 2HB PRO 73 21.214 8.734 5.268 548 1HG PRO 73 1HG PRO 73 21.800 7.218 2.798 549 2HG PRO 73 2HG PRO 73 22.797 7.421 4.225 550 1HD PRO 73 1HD PRO 73 21.273 5.098 3.513 551 2HD PRO 73 2HD PRO 73 22.177 5.345 4.994 552 H GLY 74 H GLY 74 18.657 5.322 3.592 553 1HA GLY 74 1HA GLY 74 16.799 6.999 2.066 554 2HA GLY 74 2HA GLY 74 17.302 5.363 1.693 555 H SER 75 H SER 75 16.542 6.026 5.055 556 HA SER 75 HA SER 75 14.399 4.178 4.911 557 1HB SER 75 1HB SER 75 14.219 4.726 7.407 558 2HB SER 75 2HB SER 75 15.752 4.067 6.873 559 HG SER 75 HG SER 75 16.756 5.902 7.377 560 H HIS 76 H HIS 76 12.149 4.609 5.514 561 HA HIS 76 HA HIS 76 11.428 7.434 5.500 562 1HB HIS 76 1HB HIS 76 9.751 5.551 3.895 563 2HB HIS 76 2HB HIS 76 9.954 7.284 3.737 564 HD1 HIS 76 HD1 HIS 76 12.584 7.957 2.913 565 HD2 HIS 76 HD2 HIS 76 11.070 4.164 1.954 566 HE1 HIS 76 HE1 HIS 76 14.001 7.090 0.977 567 HA PRO 77 HA PRO 77 9.289 5.406 8.828 568 1HB PRO 77 1HB PRO 77 9.308 7.532 10.545 569 2HB PRO 77 2HB PRO 77 10.578 6.326 10.500 570 1HG PRO 77 1HG PRO 77 10.615 9.095 9.467 571 2HG PRO 77 2HG PRO 77 11.966 8.035 9.815 572 1HD PRO 77 1HD PRO 77 10.905 8.667 7.227 573 2HD PRO 77 2HD PRO 77 12.179 7.519 7.585 574 H ASP 78 H ASP 78 8.541 7.862 6.736 575 HA ASP 78 HA ASP 78 6.013 8.412 7.960 576 1HB ASP 78 1HB ASP 78 7.707 9.580 5.906 577 2HB ASP 78 2HB ASP 78 6.101 9.342 5.247 578 H GLN 79 H GLN 79 7.462 6.556 5.246 579 HA GLN 79 HA GLN 79 4.863 5.802 4.280 580 1HB GLN 79 1HB GLN 79 7.692 5.129 3.371 581 2HB GLN 79 2HB GLN 79 6.262 4.465 2.604 582 1HG GLN 79 1HG GLN 79 6.201 6.329 1.312 583 2HG GLN 79 2HG GLN 79 5.705 7.217 2.740 584 1HE2 GLN 79 1HE2 GLN 79 8.563 5.974 1.045 585 2HE2 GLN 79 2HE2 GLN 79 9.645 7.265 1.449 586 H GLN 80 H GLN 80 7.193 4.736 6.600 587 HA GLN 80 HA GLN 80 7.115 2.041 6.425 588 1HB GLN 80 1HB GLN 80 7.542 4.035 8.571 589 2HB GLN 80 2HB GLN 80 7.002 2.479 9.170 590 1HG GLN 80 1HG GLN 80 8.873 1.327 8.249 591 2HG GLN 80 2HG GLN 80 9.234 2.617 7.119 592 1HE2 GLN 80 1HE2 GLN 80 11.150 3.376 7.613 593 2HE2 GLN 80 2HE2 GLN 80 11.704 3.876 9.176 594 HA PRO 81 HA PRO 81 2.993 2.133 8.785 595 1HB PRO 81 1HB PRO 81 1.615 4.483 9.000 596 2HB PRO 81 2HB PRO 81 2.667 3.870 10.261 597 1HG PRO 81 1HG PRO 81 3.149 6.079 8.356 598 2HG PRO 81 2HG PRO 81 3.972 5.730 9.863 599 1HD PRO 81 1HD PRO 81 4.950 5.219 7.215 600 2HD PRO 81 2HD PRO 81 5.720 4.765 8.723 601 H TYR 82 H TYR 82 3.456 3.995 5.948 602 HA TYR 82 HA TYR 82 0.802 3.584 4.973 603 1HB TYR 82 1HB TYR 82 3.543 4.446 3.884 604 2HB TYR 82 2HB TYR 82 2.158 4.333 2.816 605 HD1 TYR 82 HD1 TYR 82 2.627 5.709 6.284 606 HD2 TYR 82 HD2 TYR 82 1.377 6.440 2.258 607 HE1 TYR 82 HE1 TYR 82 1.937 8.072 6.920 608 HE2 TYR 82 HE2 TYR 82 0.690 8.800 2.908 609 HH TYR 82 HH TYR 82 1.732 10.336 5.474 610 H ILE 83 H ILE 83 4.070 2.180 4.244 611 HA ILE 83 HA ILE 83 3.110 0.392 2.311 612 HB ILE 83 HB ILE 83 5.475 1.226 2.739 613 1HG1 ILE 83 1HG1 ILE 83 6.468 -0.913 1.888 614 2HG1 ILE 83 2HG1 ILE 83 4.934 -1.706 2.189 615 1HG2 ILE 83 1HG2 ILE 83 6.833 0.286 4.334 616 2HG2 ILE 83 2HG2 ILE 83 5.284 0.351 5.209 617 3HG2 ILE 83 3HG2 ILE 83 5.835 -1.180 4.486 618 1HD1 ILE 83 1HD1 ILE 83 5.436 -0.708 -0.202 619 2HD1 ILE 83 2HD1 ILE 83 3.815 -0.506 0.504 620 3HD1 ILE 83 3HD1 ILE 83 4.980 0.839 0.552 621 H THR 84 H THR 84 3.196 0.346 5.853 622 HA THR 84 HA THR 84 2.935 -2.411 6.238 623 HB THR 84 HB THR 84 1.974 0.013 7.846 624 HG1 THR 84 HG1 THR 84 4.110 -0.079 8.502 625 1HG2 THR 84 1HG2 THR 84 1.683 -1.393 9.710 626 2HG2 THR 84 2HG2 THR 84 1.077 -2.455 8.416 627 3HG2 THR 84 3HG2 THR 84 2.732 -2.664 9.037 628 H VAL 85 H VAL 85 0.392 0.148 5.902 629 HA VAL 85 HA VAL 85 -1.774 -1.533 6.207 630 HB VAL 85 HB VAL 85 -1.426 0.961 4.534 631 1HG1 VAL 85 1HG1 VAL 85 -3.442 0.358 3.700 632 2HG1 VAL 85 2HG1 VAL 85 -3.775 -0.776 5.031 633 3HG1 VAL 85 3HG1 VAL 85 -4.044 0.968 5.260 634 1HG2 VAL 85 1HG2 VAL 85 -2.894 1.061 7.098 635 2HG2 VAL 85 2HG2 VAL 85 -1.154 0.716 7.238 636 3HG2 VAL 85 3HG2 VAL 85 -1.705 2.191 6.408 637 H TRP 86 H TRP 86 0.084 -0.649 3.228 638 HA TRP 86 HA TRP 86 -1.459 -1.945 1.375 639 1HB TRP 86 1HB TRP 86 1.452 -1.295 1.582 640 2HB TRP 86 2HB TRP 86 0.906 -2.325 0.275 641 HD1 TRP 86 HD1 TRP 86 0.423 1.291 1.584 642 HE1 TRP 86 HE1 TRP 86 -0.435 2.883 -0.337 643 HE3 TRP 86 HE3 TRP 86 -0.268 -2.379 -1.868 644 HZ2 TRP 86 HZ2 TRP 86 -1.287 2.440 -3.024 645 HZ3 TRP 86 HZ3 TRP 86 -1.116 -1.714 -4.115 646 HH2 TRP 86 HH2 TRP 86 -1.621 0.601 -4.717 647 H GLN 87 H GLN 87 1.256 -3.237 3.414 648 HA GLN 87 HA GLN 87 1.230 -5.781 2.418 649 1HB GLN 87 1HB GLN 87 3.023 -5.071 3.854 650 2HB GLN 87 2HB GLN 87 1.927 -4.680 5.164 651 1HG GLN 87 1HG GLN 87 1.572 -7.468 4.367 652 2HG GLN 87 2HG GLN 87 3.262 -7.154 4.710 653 1HE2 GLN 87 1HE2 GLN 87 3.894 -6.379 6.743 654 2HE2 GLN 87 2HE2 GLN 87 2.914 -6.579 8.157 655 H ASP 88 H ASP 88 -0.939 -4.190 4.753 656 HA ASP 88 HA ASP 88 -2.065 -6.588 5.696 657 1HB ASP 88 1HB ASP 88 -2.136 -3.958 6.478 658 2HB ASP 88 2HB ASP 88 -3.700 -4.077 5.697 659 H LEU 89 H LEU 89 -2.630 -4.312 3.000 660 HA LEU 89 HA LEU 89 -5.242 -5.095 2.363 661 1HB LEU 89 1HB LEU 89 -3.038 -3.589 1.086 662 2HB LEU 89 2HB LEU 89 -4.232 -4.270 -0.001 663 HG LEU 89 HG LEU 89 -5.079 -2.164 0.378 664 1HD1 LEU 89 1HD1 LEU 89 -6.416 -3.543 2.703 665 2HD1 LEU 89 2HD1 LEU 89 -7.107 -2.399 1.527 666 3HD1 LEU 89 3HD1 LEU 89 -6.685 -4.052 1.019 667 1HD2 LEU 89 1HD2 LEU 89 -4.161 -2.406 3.252 668 2HD2 LEU 89 2HD2 LEU 89 -3.496 -1.356 1.977 669 3HD2 LEU 89 3HD2 LEU 89 -5.128 -1.052 2.619 670 H VAL 90 H VAL 90 -2.002 -6.254 1.253 671 HA VAL 90 HA VAL 90 -3.043 -8.122 -0.569 672 HB VAL 90 HB VAL 90 -0.756 -9.083 -0.435 673 1HG1 VAL 90 1HG1 VAL 90 -0.517 -6.083 -0.617 674 2HG1 VAL 90 2HG1 VAL 90 0.243 -7.340 -1.622 675 3HG1 VAL 90 3HG1 VAL 90 -1.495 -6.992 -1.794 676 1HG2 VAL 90 1HG2 VAL 90 -0.407 -8.600 1.996 677 2HG2 VAL 90 2HG2 VAL 90 0.941 -8.085 0.955 678 3HG2 VAL 90 3HG2 VAL 90 -0.211 -6.881 1.581 679 H GLN 91 H GLN 91 -2.157 -8.266 2.919 680 HA GLN 91 HA GLN 91 -2.473 -11.020 3.137 681 1HB GLN 91 1HB GLN 91 -2.455 -8.708 5.084 682 2HB GLN 91 2HB GLN 91 -2.897 -10.304 5.659 683 1HG GLN 91 1HG GLN 91 -0.426 -10.112 3.956 684 2HG GLN 91 2HG GLN 91 -0.326 -9.441 5.572 685 1HE2 GLN 91 1HE2 GLN 91 0.477 -12.020 3.937 686 2HE2 GLN 91 2HE2 GLN 91 0.249 -13.303 5.078 687 H ASN 92 H ASN 92 -4.656 -8.471 4.548 688 HA ASN 92 HA ASN 92 -6.784 -10.359 4.566 689 1HB ASN 92 1HB ASN 92 -6.500 -7.430 5.363 690 2HB ASN 92 2HB ASN 92 -8.074 -8.200 5.357 691 1HD2 ASN 92 1HD2 ASN 92 -5.144 -7.731 7.002 692 2HD2 ASN 92 2HD2 ASN 92 -5.389 -8.797 8.345 693 H SER 93 H SER 93 -6.795 -10.656 2.122 694 HA SER 93 HA SER 93 -7.160 -8.635 0.339 695 1HB SER 93 1HB SER 93 -7.745 -10.309 -1.214 696 2HB SER 93 2HB SER 93 -6.795 -11.182 -0.028 697 HG SER 93 HG SER 93 -8.698 -12.023 0.908 698 HA PRO 94 HA PRO 94 -11.199 -7.377 1.611 699 1HB PRO 94 1HB PRO 94 -11.259 -5.018 0.232 700 2HB PRO 94 2HB PRO 94 -10.577 -5.171 1.839 701 1HG PRO 94 1HG PRO 94 -9.177 -4.906 -0.751 702 2HG PRO 94 2HG PRO 94 -8.556 -4.636 0.866 703 1HD PRO 94 1HD PRO 94 -8.070 -6.920 -0.800 704 2HD PRO 94 2HD PRO 94 -7.546 -6.701 0.858 705 HA PRO 95 HA PRO 95 -13.757 -8.473 -1.590 706 1HB PRO 95 1HB PRO 95 -16.064 -7.082 -1.131 707 2HB PRO 95 2HB PRO 95 -15.636 -8.542 -0.262 708 1HG PRO 95 1HG PRO 95 -15.544 -5.737 0.667 709 2HG PRO 95 2HG PRO 95 -15.536 -7.209 1.618 710 1HD PRO 95 1HD PRO 95 -13.286 -5.528 1.040 711 2HD PRO 95 2HD PRO 95 -13.259 -7.059 1.891 712 H TRP 96 H TRP 96 -13.073 -5.131 -1.214 713 HA TRP 96 HA TRP 96 -14.141 -4.452 -3.792 714 1HB TRP 96 1HB TRP 96 -12.863 -2.282 -3.271 715 2HB TRP 96 2HB TRP 96 -14.285 -2.689 -2.330 716 HD1 TRP 96 HD1 TRP 96 -13.790 -3.595 0.259 717 HE1 TRP 96 HE1 TRP 96 -11.844 -3.129 1.979 718 HE3 TRP 96 HE3 TRP 96 -10.463 -1.861 -3.174 719 HZ2 TRP 96 HZ2 TRP 96 -9.191 -2.110 1.717 720 HZ3 TRP 96 HZ3 TRP 96 -8.217 -1.150 -2.358 721 HH2 TRP 96 HH2 TRP 96 -7.561 -1.253 -0.006 722 H ILE 97 H ILE 97 -11.446 -6.165 -2.639 723 HA ILE 97 HA ILE 97 -9.804 -5.308 -4.914 724 HB ILE 97 HB ILE 97 -9.201 -6.290 -2.174 725 1HG1 ILE 97 1HG1 ILE 97 -7.834 -4.300 -4.009 726 2HG1 ILE 97 2HG1 ILE 97 -9.050 -3.896 -2.814 727 1HG2 ILE 97 1HG2 ILE 97 -8.177 -8.046 -3.451 728 2HG2 ILE 97 2HG2 ILE 97 -7.457 -6.874 -4.581 729 3HG2 ILE 97 3HG2 ILE 97 -6.904 -6.936 -2.890 730 1HD1 ILE 97 1HD1 ILE 97 -6.241 -4.174 -2.409 731 2HD1 ILE 97 2HD1 ILE 97 -7.488 -3.858 -1.178 732 3HD1 ILE 97 3HD1 ILE 97 -7.013 -5.532 -1.554 733 H LYS 98 H LYS 98 -10.597 -8.298 -2.996 734 HA LYS 98 HA LYS 98 -11.194 -9.663 -5.465 735 1HB LYS 98 1HB LYS 98 -8.633 -10.029 -4.036 736 2HB LYS 98 2HB LYS 98 -9.489 -11.515 -4.396 737 1HG LYS 98 1HG LYS 98 -9.678 -9.844 -6.730 738 2HG LYS 98 2HG LYS 98 -8.007 -9.806 -6.203 739 1HD LYS 98 1HD LYS 98 -8.417 -12.465 -5.947 740 2HD LYS 98 2HD LYS 98 -9.648 -12.146 -7.153 741 1HE LYS 98 1HE LYS 98 -7.966 -12.328 -8.684 742 2HE LYS 98 2HE LYS 98 -7.492 -10.720 -8.172 743 1HZ LYS 98 1HZ LYS 98 -5.962 -11.635 -6.659 744 2HZ LYS 98 2HZ LYS 98 -6.530 -13.155 -6.846 745 3HZ LYS 98 3HZ LYS 98 -5.727 -12.427 -8.068 746 H SER 99 H SER 99 -12.912 -10.981 -5.126 747 HA SER 99 HA SER 99 -13.498 -11.559 -2.332 748 1HB SER 99 1HB SER 99 -15.151 -10.785 -4.671 749 2HB SER 99 2HB SER 99 -15.827 -12.107 -3.739 750 HG SER 99 HG SER 99 -14.899 -10.175 -2.025 751 H GLY 100 H GLY 100 -13.876 -13.715 -1.680 752 1HA GLY 100 1HA GLY 100 -14.310 -15.965 -2.016 753 2HA GLY 100 2HA GLY 100 -13.999 -15.792 -3.731 754 HA PRO 101 HA PRO 101 -10.247 -17.424 -1.580 755 1HB PRO 101 1HB PRO 101 -10.372 -20.064 -2.273 756 2HB PRO 101 2HB PRO 101 -10.926 -19.452 -0.727 757 1HG PRO 101 1HG PRO 101 -12.525 -20.323 -3.056 758 2HG PRO 101 2HG PRO 101 -13.032 -20.119 -1.391 759 1HD PRO 101 1HD PRO 101 -13.562 -18.338 -3.577 760 2HD PRO 101 2HD PRO 101 -13.967 -18.079 -1.892 761 H SER 102 H SER 102 -8.337 -17.074 -2.531 762 HA SER 102 HA SER 102 -8.416 -17.525 -5.410 763 1HB SER 102 1HB SER 102 -8.113 -15.158 -4.775 764 2HB SER 102 2HB SER 102 -6.741 -15.575 -3.768 765 HG SER 102 HG SER 102 -5.887 -16.554 -5.932 766 H SER 103 H SER 103 -6.119 -17.433 -2.581 767 HA SER 103 HA SER 103 -5.060 -19.951 -3.465 768 1HB SER 103 1HB SER 103 -3.749 -18.054 -4.627 769 2HB SER 103 2HB SER 103 -3.153 -17.618 -3.038 770 HG SER 103 HG SER 103 -2.729 -20.216 -3.137 771 H GLY 104 H GLY 104 -5.773 -20.869 -1.496 772 1HA GLY 104 1HA GLY 104 -4.106 -20.481 0.770 773 2HA GLY 104 2HA GLY 104 -5.659 -19.707 1.014 Start of MODEL 17 1 1H GLY 0 1H GLY 0 -24.505 -9.617 -0.806 2 1HA GLY 0 1HA GLY 0 -21.840 -10.606 -1.040 3 2HA GLY 0 2HA GLY 0 -22.724 -10.801 -2.541 4 H SER 1 H SER 1 -20.506 -9.100 -2.451 5 HA SER 1 HA SER 1 -21.401 -6.448 -1.946 6 1HB SER 1 1HB SER 1 -18.870 -7.793 -2.756 7 2HB SER 1 2HB SER 1 -19.069 -6.171 -3.390 8 HG SER 1 HG SER 1 -19.798 -6.246 -0.731 9 H SER 2 H SER 2 -21.699 -4.767 -3.570 10 HA SER 2 HA SER 2 -23.102 -5.641 -5.787 11 1HB SER 2 1HB SER 2 -23.352 -3.413 -4.643 12 2HB SER 2 2HB SER 2 -21.817 -2.912 -5.325 13 HG SER 2 HG SER 2 -23.767 -2.235 -6.550 14 H GLY 3 H GLY 3 -19.777 -4.214 -5.456 15 1HA GLY 3 1HA GLY 3 -18.418 -5.770 -7.187 16 2HA GLY 3 2HA GLY 3 -19.204 -4.629 -8.261 17 H SER 4 H SER 4 -18.138 -2.742 -8.682 18 HA SER 4 HA SER 4 -16.703 -1.121 -8.550 19 1HB SER 4 1HB SER 4 -17.385 -1.501 -5.640 20 2HB SER 4 2HB SER 4 -16.063 -0.422 -6.037 21 HG SER 4 HG SER 4 -17.435 0.941 -7.150 22 H SER 5 H SER 5 -14.801 -1.897 -9.466 23 HA SER 5 HA SER 5 -12.741 -2.602 -7.618 24 1HB SER 5 1HB SER 5 -14.180 -4.703 -8.788 25 2HB SER 5 2HB SER 5 -12.773 -4.561 -9.822 26 HG SER 5 HG SER 5 -11.436 -5.143 -8.191 27 H GLY 6 H GLY 6 -10.598 -2.345 -8.577 28 1HA GLY 6 1HA GLY 6 -10.255 -1.813 -11.352 29 2HA GLY 6 2HA GLY 6 -10.350 -0.321 -10.438 30 H THR 7 H THR 7 -8.229 0.393 -10.410 31 HA THR 7 HA THR 7 -6.045 -1.404 -10.090 32 HB THR 7 HB THR 7 -4.957 1.027 -9.693 33 HG1 THR 7 HG1 THR 7 -6.557 2.516 -10.817 34 1HG2 THR 7 1HG2 THR 7 -6.110 -0.215 -12.194 35 2HG2 THR 7 2HG2 THR 7 -5.570 1.479 -12.283 36 3HG2 THR 7 3HG2 THR 7 -4.420 0.202 -11.822 37 HA PRO 8 HA PRO 8 -5.580 -1.508 -5.827 38 1HB PRO 8 1HB PRO 8 -2.877 -1.400 -5.439 39 2HB PRO 8 2HB PRO 8 -3.714 -2.853 -5.948 40 1HG PRO 8 1HG PRO 8 -2.035 -1.024 -7.552 41 2HG PRO 8 2HG PRO 8 -2.521 -2.669 -7.913 42 1HD PRO 8 1HD PRO 8 -3.607 -0.270 -9.050 43 2HD PRO 8 2HD PRO 8 -4.170 -1.907 -9.322 44 H LEU 9 H LEU 9 -3.596 1.064 -7.182 45 HA LEU 9 HA LEU 9 -3.527 2.523 -4.773 46 1HB LEU 9 1HB LEU 9 -1.834 2.883 -6.369 47 2HB LEU 9 2HB LEU 9 -2.984 3.181 -7.657 48 HG LEU 9 HG LEU 9 -3.627 5.309 -6.655 49 1HD1 LEU 9 1HD1 LEU 9 -2.518 6.216 -4.691 50 2HD1 LEU 9 2HD1 LEU 9 -3.339 4.687 -4.293 51 3HD1 LEU 9 3HD1 LEU 9 -1.572 4.719 -4.506 52 1HD2 LEU 9 1HD2 LEU 9 -0.634 4.956 -6.968 53 2HD2 LEU 9 2HD2 LEU 9 -1.813 5.354 -8.241 54 3HD2 LEU 9 3HD2 LEU 9 -1.480 6.521 -6.939 55 H SER 10 H SER 10 -5.735 2.454 -7.605 56 HA SER 10 HA SER 10 -7.167 4.720 -6.761 57 1HB SER 10 1HB SER 10 -7.020 3.565 -9.115 58 2HB SER 10 2HB SER 10 -8.303 2.529 -8.524 59 HG SER 10 HG SER 10 -8.349 5.394 -8.875 60 H LEU 11 H LEU 11 -7.472 1.167 -6.304 61 HA LEU 11 HA LEU 11 -10.035 1.226 -5.158 62 1HB LEU 11 1HB LEU 11 -7.770 -0.713 -5.301 63 2HB LEU 11 2HB LEU 11 -9.053 -1.010 -4.145 64 HG LEU 11 HG LEU 11 -9.461 -0.641 -7.126 65 1HD1 LEU 11 1HD1 LEU 11 -8.375 -2.846 -5.816 66 2HD1 LEU 11 2HD1 LEU 11 -10.087 -3.270 -6.060 67 3HD1 LEU 11 3HD1 LEU 11 -9.078 -2.807 -7.451 68 1HD2 LEU 11 1HD2 LEU 11 -11.292 -0.463 -4.963 69 2HD2 LEU 11 2HD2 LEU 11 -11.629 -0.446 -6.711 70 3HD2 LEU 11 3HD2 LEU 11 -11.620 -1.987 -5.821 71 H THR 12 H THR 12 -6.704 1.257 -3.733 72 HA THR 12 HA THR 12 -7.534 1.300 -1.066 73 HB THR 12 HB THR 12 -5.154 2.340 -0.825 74 HG1 THR 12 HG1 THR 12 -5.251 3.279 -3.018 75 1HG2 THR 12 1HG2 THR 12 -4.433 0.153 -2.529 76 2HG2 THR 12 2HG2 THR 12 -4.545 0.140 -0.753 77 3HG2 THR 12 3HG2 THR 12 -5.959 -0.307 -1.737 78 H LEU 13 H LEU 13 -7.140 3.926 -3.472 79 HA LEU 13 HA LEU 13 -7.483 5.984 -1.554 80 1HB LEU 13 1HB LEU 13 -7.652 5.890 -4.563 81 2HB LEU 13 2HB LEU 13 -7.898 7.360 -3.641 82 HG LEU 13 HG LEU 13 -5.371 5.719 -3.404 83 1HD1 LEU 13 1HD1 LEU 13 -5.381 8.174 -5.085 84 2HD1 LEU 13 2HD1 LEU 13 -4.398 6.695 -5.208 85 3HD1 LEU 13 3HD1 LEU 13 -6.082 6.695 -5.786 86 1HD2 LEU 13 1HD2 LEU 13 -6.061 8.583 -2.701 87 2HD2 LEU 13 2HD2 LEU 13 -5.704 7.248 -1.578 88 3HD2 LEU 13 3HD2 LEU 13 -4.424 7.887 -2.638 89 H ASP 14 H ASP 14 -9.658 4.204 -3.814 90 HA ASP 14 HA ASP 14 -11.888 5.730 -3.435 91 1HB ASP 14 1HB ASP 14 -11.347 2.853 -4.130 92 2HB ASP 14 2HB ASP 14 -12.997 3.264 -3.707 93 H HIS 15 H HIS 15 -10.398 3.132 -1.456 94 HA HIS 15 HA HIS 15 -12.557 3.466 0.496 95 1HB HIS 15 1HB HIS 15 -10.782 1.127 -0.188 96 2HB HIS 15 2HB HIS 15 -11.564 1.235 1.377 97 HD1 HIS 15 HD1 HIS 15 -14.374 2.032 0.857 98 HD2 HIS 15 HD2 HIS 15 -12.290 -0.485 -1.772 99 HE1 HIS 15 HE1 HIS 15 -16.145 0.752 -0.460 100 H TRP 16 H TRP 16 -10.567 5.465 0.267 101 HA TRP 16 HA TRP 16 -8.284 5.155 1.728 102 1HB TRP 16 1HB TRP 16 -8.842 7.151 0.457 103 2HB TRP 16 2HB TRP 16 -10.126 7.548 1.581 104 HD1 TRP 16 HD1 TRP 16 -9.327 9.514 3.091 105 HE1 TRP 16 HE1 TRP 16 -7.137 10.300 4.336 106 HE3 TRP 16 HE3 TRP 16 -6.395 5.695 1.455 107 HZ2 TRP 16 HZ2 TRP 16 -4.484 9.260 4.493 108 HZ3 TRP 16 HZ3 TRP 16 -4.017 5.655 2.200 109 HH2 TRP 16 HH2 TRP 16 -3.052 7.356 3.666 110 H SER 17 H SER 17 -11.686 5.579 2.806 111 HA SER 17 HA SER 17 -11.248 6.117 5.434 112 1HB SER 17 1HB SER 17 -13.434 4.470 4.097 113 2HB SER 17 2HB SER 17 -13.496 4.931 5.787 114 HG SER 17 HG SER 17 -13.704 6.566 3.451 115 H GLU 18 H GLU 18 -11.046 3.022 3.650 116 HA GLU 18 HA GLU 18 -10.884 1.469 6.014 117 1HB GLU 18 1HB GLU 18 -11.731 0.296 4.153 118 2HB GLU 18 2HB GLU 18 -10.530 0.951 3.057 119 1HG GLU 18 1HG GLU 18 -8.870 -0.551 3.740 120 2HG GLU 18 2HG GLU 18 -9.534 -0.726 5.352 121 H ILE 19 H ILE 19 -8.576 2.911 3.662 122 HA ILE 19 HA ILE 19 -6.296 1.624 4.698 123 HB ILE 19 HB ILE 19 -6.448 4.253 3.226 124 1HG1 ILE 19 1HG1 ILE 19 -7.789 2.494 2.096 125 2HG1 ILE 19 2HG1 ILE 19 -6.414 3.042 1.158 126 1HG2 ILE 19 1HG2 ILE 19 -4.259 3.773 4.171 127 2HG2 ILE 19 2HG2 ILE 19 -4.267 2.157 3.424 128 3HG2 ILE 19 3HG2 ILE 19 -4.224 3.612 2.398 129 1HD1 ILE 19 1HD1 ILE 19 -6.430 0.530 2.895 130 2HD1 ILE 19 2HD1 ILE 19 -6.652 0.553 1.129 131 3HD1 ILE 19 3HD1 ILE 19 -5.103 1.068 1.838 132 H ARG 20 H ARG 20 -8.094 4.594 5.545 133 HA ARG 20 HA ARG 20 -6.076 5.587 7.212 134 1HB ARG 20 1HB ARG 20 -9.073 6.126 7.000 135 2HB ARG 20 2HB ARG 20 -8.067 6.973 8.158 136 1HG ARG 20 1HG ARG 20 -6.538 7.392 5.973 137 2HG ARG 20 2HG ARG 20 -8.066 7.152 5.149 138 1HD ARG 20 1HD ARG 20 -8.142 8.977 7.528 139 2HD ARG 20 2HD ARG 20 -7.254 9.571 6.139 140 HE ARG 20 HE ARG 20 -9.778 8.485 5.273 141 1HH1 ARG 20 1HH1 ARG 20 -8.414 11.266 6.943 142 2HH1 ARG 20 2HH1 ARG 20 -9.701 12.332 6.486 143 1HH2 ARG 20 1HH2 ARG 20 -11.476 9.891 4.671 144 2HH2 ARG 20 2HH2 ARG 20 -11.454 11.544 5.185 145 H SER 21 H SER 21 -8.609 3.161 7.538 146 HA SER 21 HA SER 21 -8.704 3.293 10.370 147 1HB SER 21 1HB SER 21 -10.228 2.093 8.303 148 2HB SER 21 2HB SER 21 -9.602 0.751 9.239 149 HG SER 21 HG SER 21 -11.713 2.172 9.854 150 H ARG 22 H ARG 22 -7.126 1.230 7.861 151 HA ARG 22 HA ARG 22 -6.154 -0.710 9.499 152 1HB ARG 22 1HB ARG 22 -4.875 0.546 7.019 153 2HB ARG 22 2HB ARG 22 -4.335 -0.961 7.732 154 1HG ARG 22 1HG ARG 22 -7.247 -0.585 6.950 155 2HG ARG 22 2HG ARG 22 -6.057 -1.040 5.747 156 1HD ARG 22 1HD ARG 22 -5.428 -2.842 7.714 157 2HD ARG 22 2HD ARG 22 -7.135 -2.629 8.047 158 HE ARG 22 HE ARG 22 -6.605 -3.028 5.204 159 1HH1 ARG 22 1HH1 ARG 22 -7.079 -4.679 8.275 160 2HH1 ARG 22 2HH1 ARG 22 -7.607 -6.158 7.544 161 1HH2 ARG 22 1HH2 ARG 22 -7.301 -4.979 4.239 162 2HH2 ARG 22 2HH2 ARG 22 -7.734 -6.330 5.233 163 H ALA 23 H ALA 23 -5.051 2.635 8.971 164 HA ALA 23 HA ALA 23 -2.509 2.247 10.216 165 1HB ALA 23 1HB ALA 23 -3.732 4.167 8.588 166 2HB ALA 23 2HB ALA 23 -3.531 4.987 10.155 167 3HB ALA 23 3HB ALA 23 -2.119 4.282 9.331 168 H HIS 24 H HIS 24 -5.769 3.445 11.174 169 HA HIS 24 HA HIS 24 -5.082 4.415 13.661 170 1HB HIS 24 1HB HIS 24 -7.397 4.089 12.160 171 2HB HIS 24 2HB HIS 24 -7.693 3.093 13.570 172 HD1 HIS 24 HD1 HIS 24 -9.529 4.814 14.354 173 HD2 HIS 24 HD2 HIS 24 -5.631 6.353 14.179 174 HE1 HIS 24 HE1 HIS 24 -9.576 7.025 15.625 175 H ASN 25 H ASN 25 -6.048 1.081 12.637 176 HA ASN 25 HA ASN 25 -5.966 0.041 15.215 177 1HB ASN 25 1HB ASN 25 -6.561 -0.888 12.597 178 2HB ASN 25 2HB ASN 25 -5.229 -1.898 13.122 179 1HD2 ASN 25 1HD2 ASN 25 -8.533 -1.020 13.553 180 2HD2 ASN 25 2HD2 ASN 25 -8.981 -2.220 14.719 181 H LEU 26 H LEU 26 -3.546 0.686 12.682 182 HA LEU 26 HA LEU 26 -1.529 -0.915 14.001 183 1HB LEU 26 1HB LEU 26 -1.494 0.811 11.524 184 2HB LEU 26 2HB LEU 26 -0.100 -0.057 12.135 185 HG LEU 26 HG LEU 26 -2.682 -1.456 11.414 186 1HD1 LEU 26 1HD1 LEU 26 -0.305 -1.264 9.568 187 2HD1 LEU 26 2HD1 LEU 26 -1.957 -1.827 9.219 188 3HD1 LEU 26 3HD1 LEU 26 -1.647 -0.097 9.503 189 1HD2 LEU 26 1HD2 LEU 26 0.142 -2.360 11.973 190 2HD2 LEU 26 2HD2 LEU 26 -1.375 -2.865 12.756 191 3HD2 LEU 26 3HD2 LEU 26 -1.022 -3.376 11.088 192 H SER 27 H SER 27 -2.997 1.952 14.704 193 HA SER 27 HA SER 27 -2.476 3.699 15.879 194 1HB SER 27 1HB SER 27 0.019 2.130 16.669 195 2HB SER 27 2HB SER 27 -0.582 3.549 17.503 196 HG SER 27 HG SER 27 -1.842 0.960 17.275 197 H VAL 28 H VAL 28 -1.864 3.948 13.182 198 HA VAL 28 HA VAL 28 0.475 5.693 13.312 199 HB VAL 28 HB VAL 28 1.174 4.869 11.083 200 1HG1 VAL 28 1HG1 VAL 28 2.662 3.658 12.217 201 2HG1 VAL 28 2HG1 VAL 28 1.577 3.675 13.628 202 3HG1 VAL 28 3HG1 VAL 28 1.471 2.354 12.440 203 1HG2 VAL 28 1HG2 VAL 28 -1.301 3.610 11.039 204 2HG2 VAL 28 2HG2 VAL 28 0.037 3.347 9.894 205 3HG2 VAL 28 3HG2 VAL 28 -0.156 2.272 11.300 206 H GLU 29 H GLU 29 0.447 7.365 11.594 207 HA GLU 29 HA GLU 29 -2.284 7.775 10.650 208 1HB GLU 29 1HB GLU 29 -1.073 9.332 12.522 209 2HB GLU 29 2HB GLU 29 -0.509 10.150 11.078 210 1HG GLU 29 1HG GLU 29 -2.680 10.752 10.394 211 2HG GLU 29 2HG GLU 29 -3.437 9.430 11.261 212 H ILE 30 H ILE 30 -2.555 8.534 8.502 213 HA ILE 30 HA ILE 30 -0.142 9.098 6.985 214 HB ILE 30 HB ILE 30 -0.793 7.497 5.225 215 1HG1 ILE 30 1HG1 ILE 30 -2.831 6.614 7.278 216 2HG1 ILE 30 2HG1 ILE 30 -3.122 7.168 5.641 217 1HG2 ILE 30 1HG2 ILE 30 -0.392 5.821 7.656 218 2HG2 ILE 30 2HG2 ILE 30 0.478 5.827 6.104 219 3HG2 ILE 30 3HG2 ILE 30 0.805 7.092 7.313 220 1HD1 ILE 30 1HD1 ILE 30 -3.193 4.622 6.016 221 2HD1 ILE 30 2HD1 ILE 30 -2.166 5.188 4.677 222 3HD1 ILE 30 3HD1 ILE 30 -1.427 4.707 6.223 223 H LYS 31 H LYS 31 -0.774 9.872 4.703 224 HA LYS 31 HA LYS 31 -3.374 11.231 4.873 225 1HB LYS 31 1HB LYS 31 -0.650 12.313 4.410 226 2HB LYS 31 2HB LYS 31 -1.900 12.926 3.347 227 1HG LYS 31 1HG LYS 31 -3.139 12.938 5.869 228 2HG LYS 31 2HG LYS 31 -1.490 13.412 6.229 229 1HD LYS 31 1HD LYS 31 -2.473 14.771 3.819 230 2HD LYS 31 2HD LYS 31 -3.536 15.061 5.181 231 1HE LYS 31 1HE LYS 31 -0.595 15.275 5.736 232 2HE LYS 31 2HE LYS 31 -1.278 16.521 4.711 233 1HZ LYS 31 1HZ LYS 31 -2.113 15.809 7.429 234 2HZ LYS 31 2HZ LYS 31 -1.510 17.235 6.908 235 3HZ LYS 31 3HZ LYS 31 -3.012 16.772 6.462 236 H LYS 32 H LYS 32 -4.101 11.984 2.587 237 HA LYS 32 HA LYS 32 -3.902 9.642 0.903 238 1HB LYS 32 1HB LYS 32 -6.087 10.704 1.480 239 2HB LYS 32 2HB LYS 32 -5.602 12.133 0.590 240 1HG LYS 32 1HG LYS 32 -6.185 11.173 -1.380 241 2HG LYS 32 2HG LYS 32 -5.132 9.806 -1.076 242 1HD LYS 32 1HD LYS 32 -7.061 8.587 -0.976 243 2HD LYS 32 2HD LYS 32 -7.214 9.237 0.644 244 1HE LYS 32 1HE LYS 32 -9.308 9.582 -0.636 245 2HE LYS 32 2HE LYS 32 -8.587 11.121 -0.208 246 1HZ LYS 32 1HZ LYS 32 -7.924 11.477 -2.350 247 2HZ LYS 32 2HZ LYS 32 -7.916 9.898 -2.764 248 3HZ LYS 32 3HZ LYS 32 -9.333 10.692 -2.604 249 H GLY 33 H GLY 33 -3.046 13.135 0.892 250 1HA GLY 33 1HA GLY 33 -2.261 13.421 -1.741 251 2HA GLY 33 2HA GLY 33 -1.591 14.289 -0.374 252 HA PRO 34 HA PRO 34 1.987 11.787 -0.430 253 1HB PRO 34 1HB PRO 34 2.331 10.627 2.020 254 2HB PRO 34 2HB PRO 34 2.695 12.311 1.697 255 1HG PRO 34 1HG PRO 34 0.395 11.157 3.154 256 2HG PRO 34 2HG PRO 34 0.999 12.802 3.182 257 1HD PRO 34 1HD PRO 34 -1.316 11.848 1.783 258 2HD PRO 34 2HD PRO 34 -0.645 13.466 1.719 259 H TRP 35 H TRP 35 -0.563 9.845 1.005 260 HA TRP 35 HA TRP 35 0.479 7.363 0.578 261 1HB TRP 35 1HB TRP 35 -1.538 7.603 1.779 262 2HB TRP 35 2HB TRP 35 -2.346 8.399 0.442 263 HD1 TRP 35 HD1 TRP 35 -3.064 6.744 -1.681 264 HE1 TRP 35 HE1 TRP 35 -3.687 4.184 -1.827 265 HE3 TRP 35 HE3 TRP 35 -0.989 5.447 2.776 266 HZ2 TRP 35 HZ2 TRP 35 -3.253 1.954 -0.100 267 HZ3 TRP 35 HZ3 TRP 35 -1.132 3.057 3.472 268 HH2 TRP 35 HH2 TRP 35 -2.216 1.337 2.115 269 H ARG 36 H ARG 36 -1.080 9.643 -1.733 270 HA ARG 36 HA ARG 36 -1.033 7.756 -3.831 271 1HB ARG 36 1HB ARG 36 -2.632 9.738 -3.629 272 2HB ARG 36 2HB ARG 36 -1.290 10.800 -4.007 273 1HG ARG 36 1HG ARG 36 -1.328 10.267 -6.236 274 2HG ARG 36 2HG ARG 36 -1.563 8.559 -5.925 275 1HD ARG 36 1HD ARG 36 -3.743 8.793 -6.516 276 2HD ARG 36 2HD ARG 36 -3.987 9.797 -5.100 277 HE ARG 36 HE ARG 36 -2.806 11.235 -7.372 278 1HH1 ARG 36 1HH1 ARG 36 -5.798 10.242 -5.809 279 2HH1 ARG 36 2HH1 ARG 36 -6.746 11.493 -6.542 280 1HH2 ARG 36 1HH2 ARG 36 -4.056 12.886 -8.339 281 2HH2 ARG 36 2HH2 ARG 36 -5.748 13.007 -7.991 282 H THR 37 H THR 37 0.893 10.696 -2.927 283 HA THR 37 HA THR 37 2.598 10.732 -5.110 284 HB THR 37 HB THR 37 2.934 11.546 -2.179 285 HG1 THR 37 HG1 THR 37 1.285 12.620 -3.485 286 1HG2 THR 37 1HG2 THR 37 4.971 11.411 -4.185 287 2HG2 THR 37 2HG2 THR 37 4.448 13.112 -4.116 288 3HG2 THR 37 3HG2 THR 37 5.038 12.301 -2.645 289 H PHE 38 H PHE 38 3.034 9.033 -1.939 290 HA PHE 38 HA PHE 38 5.500 7.945 -2.541 291 1HB PHE 38 1HB PHE 38 3.075 7.116 -0.862 292 2HB PHE 38 2HB PHE 38 4.524 6.130 -0.857 293 HD1 PHE 38 HD1 PHE 38 3.026 7.948 1.322 294 HD2 PHE 38 HD2 PHE 38 6.600 8.289 -0.940 295 HE1 PHE 38 HE1 PHE 38 4.015 9.412 3.105 296 HE2 PHE 38 HE2 PHE 38 7.589 9.753 0.843 297 HZ PHE 38 HZ PHE 38 6.285 10.297 2.844 298 H CYS 39 H CYS 39 2.220 6.981 -3.537 299 HA CYS 39 HA CYS 39 3.343 4.559 -4.717 300 1HB CYS 39 1HB CYS 39 1.374 4.266 -3.244 301 2HB CYS 39 2HB CYS 39 0.436 5.322 -4.281 302 HG CYS 39 HG CYS 39 -0.311 2.939 -4.859 303 H ALA 40 H ALA 40 3.480 7.578 -5.556 304 HA ALA 40 HA ALA 40 2.120 7.354 -8.139 305 1HB ALA 40 1HB ALA 40 2.569 9.806 -8.259 306 2HB ALA 40 2HB ALA 40 1.611 9.353 -6.828 307 3HB ALA 40 3HB ALA 40 3.345 9.716 -6.659 308 H SER 41 H SER 41 5.255 8.675 -6.841 309 HA SER 41 HA SER 41 6.584 7.203 -8.947 310 1HB SER 41 1HB SER 41 6.392 9.280 -10.065 311 2HB SER 41 2HB SER 41 6.606 10.208 -8.593 312 HG SER 41 HG SER 41 8.834 9.656 -8.560 313 H GLU 42 H GLU 42 6.336 6.822 -6.044 314 HA GLU 42 HA GLU 42 9.081 7.444 -5.272 315 1HB GLU 42 1HB GLU 42 7.001 8.414 -3.952 316 2HB GLU 42 2HB GLU 42 6.912 6.806 -3.262 317 1HG GLU 42 1HG GLU 42 8.369 7.742 -1.729 318 2HG GLU 42 2HG GLU 42 9.554 7.200 -2.901 319 H TRP 43 H TRP 43 6.377 5.049 -4.920 320 HA TRP 43 HA TRP 43 8.160 3.017 -3.984 321 1HB TRP 43 1HB TRP 43 5.248 3.121 -4.727 322 2HB TRP 43 2HB TRP 43 6.049 1.593 -4.420 323 HD1 TRP 43 HD1 TRP 43 7.831 3.420 -1.997 324 HE1 TRP 43 HE1 TRP 43 6.749 3.555 0.406 325 HE3 TRP 43 HE3 TRP 43 3.144 2.094 -3.458 326 HZ2 TRP 43 HZ2 TRP 43 4.114 3.103 1.404 327 HZ3 TRP 43 HZ3 TRP 43 1.375 1.965 -1.706 328 HH2 TRP 43 HH2 TRP 43 1.799 2.443 0.653 329 HA PRO 44 HA PRO 44 7.517 1.780 -8.536 330 1HB PRO 44 1HB PRO 44 6.633 3.668 -10.303 331 2HB PRO 44 2HB PRO 44 5.577 2.488 -9.553 332 1HG PRO 44 1HG PRO 44 5.863 5.368 -8.949 333 2HG PRO 44 2HG PRO 44 4.552 4.284 -8.529 334 1HD PRO 44 1HD PRO 44 6.619 5.234 -6.782 335 2HD PRO 44 2HD PRO 44 5.377 4.061 -6.394 336 H THR 45 H THR 45 9.163 4.175 -7.155 337 HA THR 45 HA THR 45 11.064 4.239 -9.406 338 HB THR 45 HB THR 45 11.647 6.548 -8.495 339 HG1 THR 45 HG1 THR 45 10.260 7.291 -6.817 340 1HG2 THR 45 1HG2 THR 45 8.680 6.175 -9.167 341 2HG2 THR 45 2HG2 THR 45 9.589 7.702 -9.267 342 3HG2 THR 45 3HG2 THR 45 9.975 6.361 -10.373 343 H PHE 46 H PHE 46 10.690 2.349 -7.041 344 HA PHE 46 HA PHE 46 13.122 2.969 -5.562 345 1HB PHE 46 1HB PHE 46 10.673 1.189 -5.321 346 2HB PHE 46 2HB PHE 46 12.128 0.642 -4.511 347 HD1 PHE 46 HD1 PHE 46 10.611 0.830 -2.467 348 HD2 PHE 46 HD2 PHE 46 11.906 4.203 -4.693 349 HE1 PHE 46 HE1 PHE 46 10.085 2.319 -0.516 350 HE2 PHE 46 HE2 PHE 46 11.380 5.692 -2.742 351 HZ PHE 46 HZ PHE 46 10.475 4.733 -0.677 352 H ASP 47 H ASP 47 12.793 1.895 -8.507 353 HA ASP 47 HA ASP 47 13.636 0.349 -9.799 354 1HB ASP 47 1HB ASP 47 15.863 0.644 -7.736 355 2HB ASP 47 2HB ASP 47 16.075 -0.265 -9.219 356 H VAL 48 H VAL 48 11.811 -1.037 -8.487 357 HA VAL 48 HA VAL 48 13.189 -3.466 -7.601 358 HB VAL 48 HB VAL 48 12.532 -2.808 -5.541 359 1HG1 VAL 48 1HG1 VAL 48 10.620 -1.354 -5.025 360 2HG1 VAL 48 2HG1 VAL 48 11.682 -0.616 -6.248 361 3HG1 VAL 48 3HG1 VAL 48 10.143 -1.364 -6.740 362 1HG2 VAL 48 1HG2 VAL 48 9.998 -4.015 -6.694 363 2HG2 VAL 48 2HG2 VAL 48 11.337 -4.864 -5.884 364 3HG2 VAL 48 3HG2 VAL 48 10.286 -3.769 -4.955 365 H GLY 49 H GLY 49 10.184 -1.881 -8.825 366 1HA GLY 49 1HA GLY 49 9.501 -2.955 -10.998 367 2HA GLY 49 2HA GLY 49 9.457 -4.452 -10.089 368 H TRP 50 H TRP 50 8.486 -1.161 -8.954 369 HA TRP 50 HA TRP 50 5.819 -2.269 -8.451 370 1HB TRP 50 1HB TRP 50 6.894 -1.515 -6.459 371 2HB TRP 50 2HB TRP 50 7.348 0.009 -7.196 372 HD1 TRP 50 HD1 TRP 50 5.112 1.677 -7.830 373 HE1 TRP 50 HE1 TRP 50 2.875 2.130 -6.505 374 HE3 TRP 50 HE3 TRP 50 5.327 -2.532 -4.986 375 HZ2 TRP 50 HZ2 TRP 50 1.478 0.709 -4.462 376 HZ3 TRP 50 HZ3 TRP 50 3.487 -2.924 -3.351 377 HH2 TRP 50 HH2 TRP 50 1.609 -1.386 -3.064 378 HA PRO 51 HA PRO 51 4.581 0.320 -11.757 379 1HB PRO 51 1HB PRO 51 1.921 -0.306 -11.743 380 2HB PRO 51 2HB PRO 51 3.128 -1.272 -12.568 381 1HG PRO 51 1HG PRO 51 1.727 -1.833 -10.027 382 2HG PRO 51 2HG PRO 51 2.594 -2.942 -11.070 383 1HD PRO 51 1HD PRO 51 3.521 -1.839 -8.590 384 2HD PRO 51 2HD PRO 51 4.431 -2.854 -9.690 385 HA PRO 52 HA PRO 52 2.932 3.885 -10.148 386 1HB PRO 52 1HB PRO 52 1.396 4.950 -12.141 387 2HB PRO 52 2HB PRO 52 3.144 5.071 -12.110 388 1HG PRO 52 1HG PRO 52 1.437 3.335 -13.786 389 2HG PRO 52 2HG PRO 52 3.114 3.783 -14.022 390 1HD PRO 52 1HD PRO 52 2.129 1.275 -13.038 391 2HD PRO 52 2HD PRO 52 3.807 1.765 -13.165 392 H GLU 53 H GLU 53 0.514 1.802 -11.558 393 HA GLU 53 HA GLU 53 -1.572 3.039 -10.111 394 1HB GLU 53 1HB GLU 53 -2.972 1.275 -11.010 395 2HB GLU 53 2HB GLU 53 -1.871 1.790 -12.273 396 1HG GLU 53 1HG GLU 53 -0.471 -0.149 -12.000 397 2HG GLU 53 2HG GLU 53 -1.194 -0.555 -10.456 398 H GLY 54 H GLY 54 0.911 0.718 -9.367 399 1HA GLY 54 1HA GLY 54 1.367 0.127 -7.142 400 2HA GLY 54 2HA GLY 54 -0.335 0.255 -6.746 401 H THR 55 H THR 55 0.603 -1.996 -5.802 402 HA THR 55 HA THR 55 -0.668 -4.011 -7.364 403 HB THR 55 HB THR 55 1.606 -3.772 -8.495 404 HG1 THR 55 HG1 THR 55 0.927 -6.124 -6.876 405 1HG2 THR 55 1HG2 THR 55 2.558 -3.732 -5.812 406 2HG2 THR 55 2HG2 THR 55 2.984 -5.341 -6.443 407 3HG2 THR 55 3HG2 THR 55 3.545 -3.877 -7.287 408 H PHE 56 H PHE 56 -1.323 -5.733 -6.118 409 HA PHE 56 HA PHE 56 -0.807 -5.368 -3.280 410 1HB PHE 56 1HB PHE 56 -2.751 -6.989 -5.020 411 2HB PHE 56 2HB PHE 56 -2.702 -7.190 -3.280 412 HD1 PHE 56 HD1 PHE 56 -2.667 -4.695 -2.062 413 HD2 PHE 56 HD2 PHE 56 -4.506 -5.705 -5.751 414 HE1 PHE 56 HE1 PHE 56 -4.260 -2.774 -1.794 415 HE2 PHE 56 HE2 PHE 56 -6.098 -3.783 -5.483 416 HZ PHE 56 HZ PHE 56 -5.956 -2.341 -3.508 417 H ASP 57 H ASP 57 1.344 -6.433 -4.987 418 HA ASP 57 HA ASP 57 1.307 -9.246 -4.365 419 1HB ASP 57 1HB ASP 57 2.138 -8.290 -6.587 420 2HB ASP 57 2HB ASP 57 3.485 -7.585 -5.714 421 H LEU 58 H LEU 58 1.930 -9.701 -2.237 422 HA LEU 58 HA LEU 58 3.220 -8.027 -0.524 423 1HB LEU 58 1HB LEU 58 2.138 -10.501 -0.395 424 2HB LEU 58 2HB LEU 58 3.836 -10.907 -0.255 425 HG LEU 58 HG LEU 58 3.855 -9.042 1.595 426 1HD1 LEU 58 1HD1 LEU 58 1.707 -8.950 2.841 427 2HD1 LEU 58 2HD1 LEU 58 1.644 -8.160 1.247 428 3HD1 LEU 58 3HD1 LEU 58 0.917 -9.769 1.471 429 1HD2 LEU 58 1HD2 LEU 58 3.148 -10.786 3.284 430 2HD2 LEU 58 2HD2 LEU 58 2.735 -11.833 1.905 431 3HD2 LEU 58 3HD2 LEU 58 4.412 -11.280 2.133 432 H THR 59 H THR 59 4.621 -10.252 -2.966 433 HA THR 59 HA THR 59 7.267 -10.145 -2.156 434 HB THR 59 HB THR 59 5.986 -10.337 -4.933 435 HG1 THR 59 HG1 THR 59 6.982 -12.179 -2.873 436 1HG2 THR 59 1HG2 THR 59 8.198 -11.869 -5.106 437 2HG2 THR 59 2HG2 THR 59 8.249 -10.140 -5.528 438 3HG2 THR 59 3HG2 THR 59 8.816 -10.683 -3.931 439 H VAL 60 H VAL 60 5.531 -7.944 -4.455 440 HA VAL 60 HA VAL 60 7.796 -6.285 -4.777 441 HB VAL 60 HB VAL 60 4.866 -5.704 -5.251 442 1HG1 VAL 60 1HG1 VAL 60 6.784 -3.857 -5.271 443 2HG1 VAL 60 2HG1 VAL 60 7.067 -4.524 -6.896 444 3HG1 VAL 60 3HG1 VAL 60 5.471 -3.861 -6.472 445 1HG2 VAL 60 1HG2 VAL 60 5.392 -7.714 -6.437 446 2HG2 VAL 60 2HG2 VAL 60 5.406 -6.385 -7.621 447 3HG2 VAL 60 3HG2 VAL 60 6.940 -7.047 -7.008 448 H ILE 61 H ILE 61 4.876 -6.215 -2.660 449 HA ILE 61 HA ILE 61 5.293 -3.699 -1.577 450 HB ILE 61 HB ILE 61 3.957 -6.196 -0.568 451 1HG1 ILE 61 1HG1 ILE 61 2.849 -3.543 -1.532 452 2HG1 ILE 61 2HG1 ILE 61 2.972 -4.995 -2.506 453 1HG2 ILE 61 1HG2 ILE 61 3.856 -3.490 0.785 454 2HG2 ILE 61 2HG2 ILE 61 3.059 -4.996 1.299 455 3HG2 ILE 61 3HG2 ILE 61 4.834 -4.863 1.355 456 1HD1 ILE 61 1HD1 ILE 61 0.907 -5.531 -1.725 457 2HD1 ILE 61 2HD1 ILE 61 1.702 -5.902 -0.177 458 3HD1 ILE 61 3HD1 ILE 61 0.991 -4.293 -0.449 459 H PHE 62 H PHE 62 6.425 -6.946 -0.418 460 HA PHE 62 HA PHE 62 7.746 -6.085 1.823 461 1HB PHE 62 1HB PHE 62 7.821 -8.335 -0.159 462 2HB PHE 62 2HB PHE 62 9.320 -8.141 0.728 463 HD1 PHE 62 HD1 PHE 62 5.683 -7.987 1.602 464 HD2 PHE 62 HD2 PHE 62 9.510 -9.586 2.499 465 HE1 PHE 62 HE1 PHE 62 4.702 -9.249 3.538 466 HE2 PHE 62 HE2 PHE 62 8.529 -10.849 4.434 467 HZ PHE 62 HZ PHE 62 6.137 -10.665 4.930 468 H GLU 63 H GLU 63 8.780 -6.017 -1.612 469 HA GLU 63 HA GLU 63 11.456 -5.466 -1.077 470 1HB GLU 63 1HB GLU 63 9.685 -4.933 -3.495 471 2HB GLU 63 2HB GLU 63 11.399 -4.566 -3.492 472 1HG GLU 63 1HG GLU 63 10.320 -7.329 -2.781 473 2HG GLU 63 2HG GLU 63 10.721 -6.873 -4.425 474 H VAL 64 H VAL 64 8.662 -3.301 -1.923 475 HA VAL 64 HA VAL 64 10.170 -0.933 -1.680 476 HB VAL 64 HB VAL 64 7.247 -1.629 -1.769 477 1HG1 VAL 64 1HG1 VAL 64 6.612 0.673 -1.685 478 2HG1 VAL 64 2HG1 VAL 64 7.618 0.356 -0.250 479 3HG1 VAL 64 3HG1 VAL 64 8.310 1.208 -1.652 480 1HG2 VAL 64 1HG2 VAL 64 8.493 0.243 -3.702 481 2HG2 VAL 64 2HG2 VAL 64 9.093 -1.432 -3.749 482 3HG2 VAL 64 3HG2 VAL 64 7.357 -1.102 -3.969 483 H LYS 65 H LYS 65 8.126 -2.861 0.570 484 HA LYS 65 HA LYS 65 8.145 -0.989 2.651 485 1HB LYS 65 1HB LYS 65 6.511 -2.727 2.631 486 2HB LYS 65 2HB LYS 65 7.730 -3.983 2.561 487 1HG LYS 65 1HG LYS 65 8.591 -2.990 4.833 488 2HG LYS 65 2HG LYS 65 7.046 -2.165 4.900 489 1HD LYS 65 1HD LYS 65 5.861 -4.109 5.286 490 2HD LYS 65 2HD LYS 65 6.884 -5.072 4.239 491 1HE LYS 65 1HE LYS 65 8.512 -4.222 6.453 492 2HE LYS 65 2HE LYS 65 7.001 -4.805 7.122 493 1HZ LYS 65 1HZ LYS 65 7.744 -6.827 6.754 494 2HZ LYS 65 2HZ LYS 65 7.717 -6.569 5.142 495 3HZ LYS 65 3HZ LYS 65 9.082 -6.283 5.991 496 H ALA 66 H ALA 66 10.225 -3.900 2.027 497 HA ALA 66 HA ALA 66 11.859 -3.620 4.227 498 1HB ALA 66 1HB ALA 66 12.586 -4.599 1.436 499 2HB ALA 66 2HB ALA 66 13.433 -5.000 2.950 500 3HB ALA 66 3HB ALA 66 11.767 -5.569 2.684 501 H ILE 67 H ILE 67 11.844 -1.898 1.092 502 HA ILE 67 HA ILE 67 14.378 -0.744 1.328 503 HB ILE 67 HB ILE 67 11.876 -0.084 -0.187 504 1HG1 ILE 67 1HG1 ILE 67 14.608 -0.739 -1.281 505 2HG1 ILE 67 2HG1 ILE 67 13.531 -2.007 -0.730 506 1HG2 ILE 67 1HG2 ILE 67 12.648 2.090 0.129 507 2HG2 ILE 67 2HG2 ILE 67 14.358 1.601 0.072 508 3HG2 ILE 67 3HG2 ILE 67 13.384 1.607 -1.417 509 1HD1 ILE 67 1HD1 ILE 67 12.468 0.109 -2.614 510 2HD1 ILE 67 2HD1 ILE 67 13.451 -1.230 -3.253 511 3HD1 ILE 67 3HD1 ILE 67 11.929 -1.573 -2.396 512 H VAL 68 H VAL 68 11.090 0.454 2.279 513 HA VAL 68 HA VAL 68 12.160 2.821 3.435 514 HB VAL 68 HB VAL 68 9.965 3.355 3.925 515 1HG1 VAL 68 1HG1 VAL 68 10.540 2.267 1.414 516 2HG1 VAL 68 2HG1 VAL 68 8.954 1.584 1.847 517 3HG1 VAL 68 3HG1 VAL 68 9.188 3.349 1.828 518 1HG2 VAL 68 1HG2 VAL 68 9.070 0.466 3.789 519 2HG2 VAL 68 2HG2 VAL 68 9.613 1.235 5.300 520 3HG2 VAL 68 3HG2 VAL 68 8.191 1.871 4.439 521 H PHE 69 H PHE 69 11.377 -0.480 4.551 522 HA PHE 69 HA PHE 69 11.843 0.290 7.302 523 1HB PHE 69 1HB PHE 69 10.951 -2.138 5.695 524 2HB PHE 69 2HB PHE 69 11.555 -2.416 7.317 525 HD1 PHE 69 HD1 PHE 69 10.297 -1.686 9.256 526 HD2 PHE 69 HD2 PHE 69 8.858 -0.932 5.336 527 HE1 PHE 69 HE1 PHE 69 8.035 -1.133 10.193 528 HE2 PHE 69 HE2 PHE 69 6.596 -0.378 6.273 529 HZ PHE 69 HZ PHE 69 6.212 -0.485 8.690 530 H GLN 70 H GLN 70 14.025 0.446 5.191 531 HA GLN 70 HA GLN 70 15.738 -1.736 5.824 532 1HB GLN 70 1HB GLN 70 17.255 -0.774 4.258 533 2HB GLN 70 2HB GLN 70 15.660 -0.453 3.605 534 1HG GLN 70 1HG GLN 70 15.709 1.846 4.550 535 2HG GLN 70 2HG GLN 70 17.270 1.532 5.282 536 1HE2 GLN 70 1HE2 GLN 70 15.507 1.885 2.271 537 2HE2 GLN 70 2HE2 GLN 70 16.851 2.254 1.243 538 H ASP 71 H ASP 71 18.263 -0.601 6.166 539 HA ASP 71 HA ASP 71 17.902 0.651 8.768 540 1HB ASP 71 1HB ASP 71 19.104 -1.565 8.661 541 2HB ASP 71 2HB ASP 71 20.313 -0.836 7.623 542 H GLY 72 H GLY 72 19.170 2.569 9.255 543 1HA GLY 72 1HA GLY 72 20.936 4.069 8.731 544 2HA GLY 72 2HA GLY 72 20.777 3.658 7.035 545 HA PRO 73 HA PRO 73 18.322 7.434 7.836 546 1HB PRO 73 1HB PRO 73 19.714 9.180 6.261 547 2HB PRO 73 2HB PRO 73 19.980 9.024 7.986 548 1HG PRO 73 1HG PRO 73 21.652 8.037 5.757 549 2HG PRO 73 2HG PRO 73 22.090 8.271 7.438 550 1HD PRO 73 1HD PRO 73 21.516 5.776 6.145 551 2HD PRO 73 2HD PRO 73 21.840 6.023 7.849 552 H GLY 74 H GLY 74 19.005 5.353 5.410 553 1HA GLY 74 1HA GLY 74 17.634 6.710 3.281 554 2HA GLY 74 2HA GLY 74 18.178 5.044 3.320 555 H SER 75 H SER 75 16.806 4.439 5.924 556 HA SER 75 HA SER 75 14.479 3.438 4.914 557 1HB SER 75 1HB SER 75 13.817 3.358 7.452 558 2HB SER 75 2HB SER 75 15.202 2.436 6.902 559 HG SER 75 HG SER 75 15.828 5.072 7.638 560 H HIS 76 H HIS 76 12.257 4.091 5.002 561 HA HIS 76 HA HIS 76 11.923 6.937 5.615 562 1HB HIS 76 1HB HIS 76 10.058 5.486 3.780 563 2HB HIS 76 2HB HIS 76 10.502 7.181 3.814 564 HD1 HIS 76 HD1 HIS 76 13.024 7.734 2.908 565 HD2 HIS 76 HD2 HIS 76 11.456 3.961 1.961 566 HE1 HIS 76 HE1 HIS 76 14.442 6.832 0.988 567 HA PRO 77 HA PRO 77 9.364 5.016 8.679 568 1HB PRO 77 1HB PRO 77 9.488 7.052 10.499 569 2HB PRO 77 2HB PRO 77 10.639 5.731 10.458 570 1HG PRO 77 1HG PRO 77 10.994 8.527 9.568 571 2HG PRO 77 2HG PRO 77 12.218 7.327 9.931 572 1HD PRO 77 1HD PRO 77 11.366 8.175 7.327 573 2HD PRO 77 2HD PRO 77 12.505 6.894 7.692 574 H ASP 78 H ASP 78 8.955 7.586 6.648 575 HA ASP 78 HA ASP 78 6.479 8.425 7.778 576 1HB ASP 78 1HB ASP 78 7.972 9.021 5.195 577 2HB ASP 78 2HB ASP 78 6.349 9.629 5.454 578 H GLN 79 H GLN 79 7.715 6.392 5.065 579 HA GLN 79 HA GLN 79 5.035 5.860 4.176 580 1HB GLN 79 1HB GLN 79 7.726 4.814 3.189 581 2HB GLN 79 2HB GLN 79 6.187 4.496 2.414 582 1HG GLN 79 1HG GLN 79 6.015 6.632 1.550 583 2HG GLN 79 2HG GLN 79 6.753 7.379 2.952 584 1HE2 GLN 79 1HE2 GLN 79 7.240 5.913 -0.140 585 2HE2 GLN 79 2HE2 GLN 79 8.926 6.259 -0.334 586 H GLN 80 H GLN 80 7.319 4.614 6.446 587 HA GLN 80 HA GLN 80 7.030 1.936 6.295 588 1HB GLN 80 1HB GLN 80 7.652 3.904 8.406 589 2HB GLN 80 2HB GLN 80 6.962 2.426 9.045 590 1HG GLN 80 1HG GLN 80 8.670 1.065 7.938 591 2HG GLN 80 2HG GLN 80 9.280 2.454 7.059 592 1HE2 GLN 80 1HE2 GLN 80 11.226 2.851 7.798 593 2HE2 GLN 80 2HE2 GLN 80 11.696 3.037 9.455 594 HA PRO 81 HA PRO 81 2.948 2.351 8.691 595 1HB PRO 81 1HB PRO 81 1.749 4.798 8.897 596 2HB PRO 81 2HB PRO 81 2.764 4.119 10.154 597 1HG PRO 81 1HG PRO 81 3.391 6.270 8.226 598 2HG PRO 81 2HG PRO 81 4.199 5.873 9.729 599 1HD PRO 81 1HD PRO 81 5.113 5.270 7.078 600 2HD PRO 81 2HD PRO 81 5.861 4.773 8.583 601 H TYR 82 H TYR 82 3.518 4.159 5.837 602 HA TYR 82 HA TYR 82 0.833 3.938 4.887 603 1HB TYR 82 1HB TYR 82 3.622 4.577 3.767 604 2HB TYR 82 2HB TYR 82 2.224 4.559 2.711 605 HD1 TYR 82 HD1 TYR 82 2.988 5.976 6.112 606 HD2 TYR 82 HD2 TYR 82 1.438 6.667 2.185 607 HE1 TYR 82 HE1 TYR 82 2.483 8.390 6.729 608 HE2 TYR 82 HE2 TYR 82 0.938 9.079 2.815 609 HH TYR 82 HH TYR 82 1.817 10.730 4.447 610 H ILE 83 H ILE 83 3.977 2.275 4.153 611 HA ILE 83 HA ILE 83 2.770 0.509 2.296 612 HB ILE 83 HB ILE 83 5.120 1.188 2.225 613 1HG1 ILE 83 1HG1 ILE 83 6.057 -1.012 1.700 614 2HG1 ILE 83 2HG1 ILE 83 4.763 -1.803 2.579 615 1HG2 ILE 83 1HG2 ILE 83 5.277 0.981 4.841 616 2HG2 ILE 83 2HG2 ILE 83 5.790 -0.682 4.466 617 3HG2 ILE 83 3HG2 ILE 83 6.703 0.700 3.814 618 1HD1 ILE 83 1HD1 ILE 83 3.301 -1.573 0.851 619 2HD1 ILE 83 2HD1 ILE 83 3.743 0.132 0.600 620 3HD1 ILE 83 3HD1 ILE 83 4.725 -1.159 -0.134 621 H THR 84 H THR 84 3.414 0.475 5.810 622 HA THR 84 HA THR 84 3.097 -2.213 6.326 623 HB THR 84 HB THR 84 2.450 0.351 7.844 624 HG1 THR 84 HG1 THR 84 4.403 -1.834 7.810 625 1HG2 THR 84 1HG2 THR 84 1.308 -2.133 8.502 626 2HG2 THR 84 2HG2 THR 84 2.822 -2.110 9.439 627 3HG2 THR 84 3HG2 THR 84 1.627 -0.807 9.647 628 H VAL 85 H VAL 85 0.574 0.301 5.804 629 HA VAL 85 HA VAL 85 -1.566 -1.416 6.438 630 HB VAL 85 HB VAL 85 -1.276 1.170 4.926 631 1HG1 VAL 85 1HG1 VAL 85 -3.736 -0.543 5.269 632 2HG1 VAL 85 2HG1 VAL 85 -3.858 1.228 5.143 633 3HG1 VAL 85 3HG1 VAL 85 -3.136 0.289 3.815 634 1HG2 VAL 85 1HG2 VAL 85 -1.187 0.735 7.575 635 2HG2 VAL 85 2HG2 VAL 85 -1.889 2.207 6.860 636 3HG2 VAL 85 3HG2 VAL 85 -2.950 0.872 7.373 637 H TRP 86 H TRP 86 0.272 -0.692 3.445 638 HA TRP 86 HA TRP 86 -1.456 -1.909 1.641 639 1HB TRP 86 1HB TRP 86 1.429 -1.182 1.698 640 2HB TRP 86 2HB TRP 86 0.911 -2.321 0.472 641 HD1 TRP 86 HD1 TRP 86 0.305 1.349 1.545 642 HE1 TRP 86 HE1 TRP 86 -0.688 2.766 -0.447 643 HE3 TRP 86 HE3 TRP 86 -0.355 -2.580 -1.614 644 HZ2 TRP 86 HZ2 TRP 86 -1.617 2.100 -3.062 645 HZ3 TRP 86 HZ3 TRP 86 -1.310 -2.110 -3.868 646 HH2 TRP 86 HH2 TRP 86 -1.934 0.134 -4.609 647 H GLN 87 H GLN 87 1.334 -3.197 3.572 648 HA GLN 87 HA GLN 87 1.291 -5.740 2.579 649 1HB GLN 87 1HB GLN 87 3.090 -4.915 4.012 650 2HB GLN 87 2HB GLN 87 1.995 -4.729 5.367 651 1HG GLN 87 1HG GLN 87 2.017 -7.462 4.185 652 2HG GLN 87 2HG GLN 87 3.547 -6.972 4.885 653 1HE2 GLN 87 1HE2 GLN 87 3.754 -6.639 7.055 654 2HE2 GLN 87 2HE2 GLN 87 2.553 -7.071 8.226 655 H ASP 88 H ASP 88 -0.818 -4.166 4.985 656 HA ASP 88 HA ASP 88 -1.908 -6.550 5.972 657 1HB ASP 88 1HB ASP 88 -1.983 -3.995 6.802 658 2HB ASP 88 2HB ASP 88 -3.481 -3.973 5.893 659 H LEU 89 H LEU 89 -2.687 -4.232 3.330 660 HA LEU 89 HA LEU 89 -5.241 -5.079 2.717 661 1HB LEU 89 1HB LEU 89 -3.043 -3.659 1.338 662 2HB LEU 89 2HB LEU 89 -4.257 -4.377 0.299 663 HG LEU 89 HG LEU 89 -5.085 -2.251 0.589 664 1HD1 LEU 89 1HD1 LEU 89 -6.453 -3.285 3.033 665 2HD1 LEU 89 2HD1 LEU 89 -7.124 -2.511 1.578 666 3HD1 LEU 89 3HD1 LEU 89 -6.605 -4.212 1.521 667 1HD2 LEU 89 1HD2 LEU 89 -3.287 -1.825 2.435 668 2HD2 LEU 89 2HD2 LEU 89 -4.751 -0.816 2.363 669 3HD2 LEU 89 3HD2 LEU 89 -4.637 -2.133 3.554 670 H VAL 90 H VAL 90 -2.035 -6.379 1.695 671 HA VAL 90 HA VAL 90 -3.099 -8.279 -0.081 672 HB VAL 90 HB VAL 90 -0.502 -8.368 1.463 673 1HG1 VAL 90 1HG1 VAL 90 -1.097 -10.449 0.273 674 2HG1 VAL 90 2HG1 VAL 90 -1.254 -9.529 -1.242 675 3HG1 VAL 90 3HG1 VAL 90 0.329 -9.657 -0.438 676 1HG2 VAL 90 1HG2 VAL 90 -0.405 -6.255 0.490 677 2HG2 VAL 90 2HG2 VAL 90 0.355 -7.284 -0.748 678 3HG2 VAL 90 3HG2 VAL 90 -1.334 -6.757 -0.943 679 H GLN 91 H GLN 91 -1.924 -8.550 3.348 680 HA GLN 91 HA GLN 91 -2.391 -11.166 3.729 681 1HB GLN 91 1HB GLN 91 -2.782 -8.817 5.623 682 2HB GLN 91 2HB GLN 91 -2.899 -10.478 6.166 683 1HG GLN 91 1HG GLN 91 -0.561 -10.816 5.050 684 2HG GLN 91 2HG GLN 91 -0.474 -9.066 4.990 685 1HE2 GLN 91 1HE2 GLN 91 1.012 -11.163 6.512 686 2HE2 GLN 91 2HE2 GLN 91 0.949 -10.687 8.177 687 H ASN 92 H ASN 92 -4.773 -8.653 4.853 688 HA ASN 92 HA ASN 92 -6.824 -10.653 4.649 689 1HB ASN 92 1HB ASN 92 -6.578 -7.888 5.855 690 2HB ASN 92 2HB ASN 92 -8.187 -8.467 5.474 691 1HD2 ASN 92 1HD2 ASN 92 -5.625 -8.510 7.661 692 2HD2 ASN 92 2HD2 ASN 92 -6.169 -9.751 8.740 693 H SER 93 H SER 93 -6.957 -10.818 2.277 694 HA SER 93 HA SER 93 -7.181 -8.596 0.639 695 1HB SER 93 1HB SER 93 -7.591 -10.130 -1.097 696 2HB SER 93 2HB SER 93 -6.696 -11.092 0.063 697 HG SER 93 HG SER 93 -8.610 -12.092 0.759 698 HA PRO 94 HA PRO 94 -11.332 -7.618 1.785 699 1HB PRO 94 1HB PRO 94 -11.426 -5.151 0.612 700 2HB PRO 94 2HB PRO 94 -10.820 -5.419 2.235 701 1HG PRO 94 1HG PRO 94 -9.304 -4.870 -0.243 702 2HG PRO 94 2HG PRO 94 -8.778 -4.720 1.421 703 1HD PRO 94 1HD PRO 94 -8.109 -6.827 -0.406 704 2HD PRO 94 2HD PRO 94 -7.679 -6.735 1.290 705 HA PRO 95 HA PRO 95 -13.685 -8.508 -1.632 706 1HB PRO 95 1HB PRO 95 -16.049 -7.203 -1.210 707 2HB PRO 95 2HB PRO 95 -15.635 -8.715 -0.425 708 1HG PRO 95 1HG PRO 95 -15.668 -5.985 0.710 709 2HG PRO 95 2HG PRO 95 -15.677 -7.524 1.550 710 1HD PRO 95 1HD PRO 95 -13.440 -5.757 1.230 711 2HD PRO 95 2HD PRO 95 -13.423 -7.347 1.967 712 H TRP 96 H TRP 96 -13.124 -5.184 -0.969 713 HA TRP 96 HA TRP 96 -14.047 -4.348 -3.559 714 1HB TRP 96 1HB TRP 96 -13.007 -2.169 -2.842 715 2HB TRP 96 2HB TRP 96 -14.339 -2.764 -1.872 716 HD1 TRP 96 HD1 TRP 96 -13.678 -3.704 0.642 717 HE1 TRP 96 HE1 TRP 96 -11.682 -3.214 2.296 718 HE3 TRP 96 HE3 TRP 96 -10.595 -1.665 -2.849 719 HZ2 TRP 96 HZ2 TRP 96 -9.095 -2.055 1.966 720 HZ3 TRP 96 HZ3 TRP 96 -8.351 -0.879 -2.100 721 HH2 TRP 96 HH2 TRP 96 -7.586 -1.047 0.215 722 H ILE 97 H ILE 97 -11.417 -6.117 -2.406 723 HA ILE 97 HA ILE 97 -9.661 -5.044 -4.502 724 HB ILE 97 HB ILE 97 -9.154 -6.166 -1.788 725 1HG1 ILE 97 1HG1 ILE 97 -7.845 -3.941 -3.380 726 2HG1 ILE 97 2HG1 ILE 97 -9.157 -3.722 -2.239 727 1HG2 ILE 97 1HG2 ILE 97 -6.747 -6.517 -2.468 728 2HG2 ILE 97 2HG2 ILE 97 -7.905 -7.737 -3.049 729 3HG2 ILE 97 3HG2 ILE 97 -7.304 -6.482 -4.159 730 1HD1 ILE 97 1HD1 ILE 97 -7.704 -3.707 -0.505 731 2HD1 ILE 97 2HD1 ILE 97 -7.069 -5.300 -0.982 732 3HD1 ILE 97 3HD1 ILE 97 -6.367 -3.819 -1.674 733 H LYS 98 H LYS 98 -10.034 -8.193 -2.731 734 HA LYS 98 HA LYS 98 -9.806 -10.268 -3.533 735 1HB LYS 98 1HB LYS 98 -12.263 -9.311 -3.980 736 2HB LYS 98 2HB LYS 98 -11.826 -9.644 -5.643 737 1HG LYS 98 1HG LYS 98 -11.038 -11.848 -3.857 738 2HG LYS 98 2HG LYS 98 -12.755 -11.513 -3.747 739 1HD LYS 98 1HD LYS 98 -11.421 -11.725 -6.466 740 2HD LYS 98 2HD LYS 98 -11.876 -13.177 -5.598 741 1HE LYS 98 1HE LYS 98 -13.911 -12.889 -6.608 742 2HE LYS 98 2HE LYS 98 -14.191 -11.708 -5.344 743 1HZ LYS 98 1HZ LYS 98 -13.472 -9.993 -6.776 744 2HZ LYS 98 2HZ LYS 98 -12.948 -11.037 -7.918 745 3HZ LYS 98 3HZ LYS 98 -14.547 -10.887 -7.621 746 H SER 99 H SER 99 -7.554 -9.476 -4.300 747 HA SER 99 HA SER 99 -6.950 -8.722 -6.782 748 1HB SER 99 1HB SER 99 -4.809 -10.048 -6.497 749 2HB SER 99 2HB SER 99 -5.214 -9.016 -5.140 750 HG SER 99 HG SER 99 -4.618 -11.523 -4.930 751 H GLY 100 H GLY 100 -6.446 -9.786 -8.819 752 1HA GLY 100 1HA GLY 100 -7.222 -12.593 -9.081 753 2HA GLY 100 2HA GLY 100 -8.170 -11.413 -9.964 754 HA PRO 101 HA PRO 101 -4.232 -12.431 -12.217 755 1HB PRO 101 1HB PRO 101 -5.061 -14.357 -13.969 756 2HB PRO 101 2HB PRO 101 -4.228 -14.719 -12.471 757 1HG PRO 101 1HG PRO 101 -7.095 -15.032 -13.120 758 2HG PRO 101 2HG PRO 101 -6.178 -15.764 -11.819 759 1HD PRO 101 1HD PRO 101 -7.997 -13.556 -11.606 760 2HD PRO 101 2HD PRO 101 -6.993 -14.214 -10.329 761 H SER 102 H SER 102 -3.580 -11.216 -13.917 762 HA SER 102 HA SER 102 -5.234 -10.877 -16.116 763 1HB SER 102 1HB SER 102 -6.391 -9.472 -14.192 764 2HB SER 102 2HB SER 102 -5.114 -8.315 -14.510 765 HG SER 102 HG SER 102 -6.590 -7.643 -15.960 766 H SER 103 H SER 103 -4.296 -9.110 -17.621 767 HA SER 103 HA SER 103 -2.598 -8.228 -18.644 768 1HB SER 103 1HB SER 103 -2.360 -6.555 -16.994 769 2HB SER 103 2HB SER 103 -1.799 -7.686 -15.779 770 HG SER 103 HG SER 103 -0.271 -7.116 -18.164 771 H GLY 104 H GLY 104 -0.344 -8.653 -19.395 772 1HA GLY 104 1HA GLY 104 1.545 -10.259 -18.344 773 2HA GLY 104 2HA GLY 104 0.376 -11.419 -18.944 Start of MODEL 18 1 1H GLY 0 1H GLY 0 0.598 -14.396 -20.888 2 1HA GLY 0 1HA GLY 0 1.656 -13.308 -18.606 3 2HA GLY 0 2HA GLY 0 0.645 -12.453 -19.754 4 H SER 1 H SER 1 -0.778 -11.269 -18.522 5 HA SER 1 HA SER 1 -2.870 -12.564 -17.278 6 1HB SER 1 1HB SER 1 -2.497 -12.171 -14.925 7 2HB SER 1 2HB SER 1 -1.107 -13.048 -15.534 8 HG SER 1 HG SER 1 0.043 -11.457 -14.685 9 H SER 2 H SER 2 -4.559 -11.051 -16.813 10 HA SER 2 HA SER 2 -3.905 -8.288 -16.631 11 1HB SER 2 1HB SER 2 -3.918 -8.910 -19.156 12 2HB SER 2 2HB SER 2 -5.650 -9.111 -18.980 13 HG SER 2 HG SER 2 -4.309 -6.693 -18.147 14 H GLY 3 H GLY 3 -6.046 -6.957 -16.434 15 1HA GLY 3 1HA GLY 3 -8.289 -8.633 -15.534 16 2HA GLY 3 2HA GLY 3 -7.576 -7.484 -14.419 17 H SER 4 H SER 4 -10.087 -6.880 -14.720 18 HA SER 4 HA SER 4 -10.518 -5.303 -17.069 19 1HB SER 4 1HB SER 4 -12.292 -5.544 -14.603 20 2HB SER 4 2HB SER 4 -12.773 -4.987 -16.194 21 HG SER 4 HG SER 4 -11.623 -7.596 -15.965 22 H SER 5 H SER 5 -11.454 -2.979 -16.735 23 HA SER 5 HA SER 5 -9.577 -1.335 -15.823 24 1HB SER 5 1HB SER 5 -12.581 -1.023 -16.023 25 2HB SER 5 2HB SER 5 -11.618 0.304 -15.405 26 HG SER 5 HG SER 5 -11.105 0.788 -17.417 27 H GLY 6 H GLY 6 -8.652 -0.960 -13.845 28 1HA GLY 6 1HA GLY 6 -9.831 -0.209 -11.542 29 2HA GLY 6 2HA GLY 6 -9.941 -1.956 -11.455 30 H THR 7 H THR 7 -8.131 0.514 -10.341 31 HA THR 7 HA THR 7 -5.621 -1.020 -10.538 32 HB THR 7 HB THR 7 -4.636 1.371 -10.089 33 HG1 THR 7 HG1 THR 7 -6.324 2.934 -11.018 34 1HG2 THR 7 1HG2 THR 7 -6.057 1.575 -12.697 35 2HG2 THR 7 2HG2 THR 7 -4.309 1.609 -12.359 36 3HG2 THR 7 3HG2 THR 7 -5.162 0.052 -12.481 37 HA PRO 8 HA PRO 8 -5.576 -1.256 -6.256 38 1HB PRO 8 1HB PRO 8 -2.919 -1.129 -5.633 39 2HB PRO 8 2HB PRO 8 -3.690 -2.577 -6.247 40 1HG PRO 8 1HG PRO 8 -1.902 -0.690 -7.655 41 2HG PRO 8 2HG PRO 8 -2.333 -2.331 -8.096 42 1HD PRO 8 1HD PRO 8 -3.349 0.084 -9.265 43 2HD PRO 8 2HD PRO 8 -3.864 -1.552 -9.624 44 H LEU 9 H LEU 9 -3.369 1.312 -7.258 45 HA LEU 9 HA LEU 9 -3.455 2.726 -4.895 46 1HB LEU 9 1HB LEU 9 -1.829 3.237 -6.520 47 2HB LEU 9 2HB LEU 9 -3.030 3.532 -7.762 48 HG LEU 9 HG LEU 9 -3.721 5.593 -6.708 49 1HD1 LEU 9 1HD1 LEU 9 -2.829 6.445 -4.663 50 2HD1 LEU 9 2HD1 LEU 9 -3.412 4.791 -4.355 51 3HD1 LEU 9 3HD1 LEU 9 -1.668 5.101 -4.539 52 1HD2 LEU 9 1HD2 LEU 9 -0.775 5.924 -6.532 53 2HD2 LEU 9 2HD2 LEU 9 -1.421 5.261 -8.052 54 3HD2 LEU 9 3HD2 LEU 9 -1.988 6.840 -7.458 55 H SER 10 H SER 10 -5.704 2.749 -7.709 56 HA SER 10 HA SER 10 -7.232 4.868 -6.685 57 1HB SER 10 1HB SER 10 -7.099 4.013 -9.111 58 2HB SER 10 2HB SER 10 -8.174 2.718 -8.624 59 HG SER 10 HG SER 10 -9.402 4.457 -9.495 60 H LEU 11 H LEU 11 -7.534 1.260 -6.649 61 HA LEU 11 HA LEU 11 -10.016 1.129 -5.420 62 1HB LEU 11 1HB LEU 11 -7.650 -0.712 -5.575 63 2HB LEU 11 2HB LEU 11 -9.051 -1.138 -4.613 64 HG LEU 11 HG LEU 11 -9.341 -0.371 -7.515 65 1HD1 LEU 11 1HD1 LEU 11 -9.250 -3.258 -6.905 66 2HD1 LEU 11 2HD1 LEU 11 -8.641 -2.352 -8.312 67 3HD1 LEU 11 3HD1 LEU 11 -7.688 -2.408 -6.810 68 1HD2 LEU 11 1HD2 LEU 11 -11.064 -2.431 -6.300 69 2HD2 LEU 11 2HD2 LEU 11 -11.213 -0.808 -5.584 70 3HD2 LEU 11 3HD2 LEU 11 -11.476 -1.039 -7.330 71 H THR 12 H THR 12 -6.699 1.463 -4.061 72 HA THR 12 HA THR 12 -7.518 1.200 -1.366 73 HB THR 12 HB THR 12 -5.183 2.375 -1.092 74 HG1 THR 12 HG1 THR 12 -4.267 2.907 -3.064 75 1HG2 THR 12 1HG2 THR 12 -5.866 -0.292 -2.145 76 2HG2 THR 12 2HG2 THR 12 -4.286 0.268 -2.746 77 3HG2 THR 12 3HG2 THR 12 -4.587 0.164 -0.994 78 H LEU 13 H LEU 13 -6.756 4.118 -3.383 79 HA LEU 13 HA LEU 13 -7.391 5.952 -1.398 80 1HB LEU 13 1HB LEU 13 -7.438 6.134 -4.410 81 2HB LEU 13 2HB LEU 13 -7.704 7.510 -3.358 82 HG LEU 13 HG LEU 13 -5.194 5.823 -3.248 83 1HD1 LEU 13 1HD1 LEU 13 -5.032 6.625 -5.407 84 2HD1 LEU 13 2HD1 LEU 13 -5.901 8.132 -5.032 85 3HD1 LEU 13 3HD1 LEU 13 -4.225 7.909 -4.475 86 1HD2 LEU 13 1HD2 LEU 13 -4.304 8.004 -2.248 87 2HD2 LEU 13 2HD2 LEU 13 -6.011 8.473 -2.060 88 3HD2 LEU 13 3HD2 LEU 13 -5.392 7.019 -1.241 89 H ASP 14 H ASP 14 -9.425 4.330 -3.892 90 HA ASP 14 HA ASP 14 -11.694 5.791 -3.534 91 1HB ASP 14 1HB ASP 14 -11.125 2.921 -4.291 92 2HB ASP 14 2HB ASP 14 -12.793 3.396 -4.039 93 H HIS 15 H HIS 15 -10.051 3.589 -1.379 94 HA HIS 15 HA HIS 15 -12.383 3.626 0.391 95 1HB HIS 15 1HB HIS 15 -10.608 1.342 -0.392 96 2HB HIS 15 2HB HIS 15 -11.243 1.389 1.241 97 HD1 HIS 15 HD1 HIS 15 -14.106 2.203 0.960 98 HD2 HIS 15 HD2 HIS 15 -12.228 -0.302 -1.831 99 HE1 HIS 15 HE1 HIS 15 -15.971 0.917 -0.214 100 H TRP 16 H TRP 16 -10.362 5.644 0.247 101 HA TRP 16 HA TRP 16 -8.161 5.336 1.818 102 1HB TRP 16 1HB TRP 16 -8.709 7.343 0.534 103 2HB TRP 16 2HB TRP 16 -10.003 7.728 1.651 104 HD1 TRP 16 HD1 TRP 16 -9.218 9.661 3.209 105 HE1 TRP 16 HE1 TRP 16 -7.037 10.424 4.484 106 HE3 TRP 16 HE3 TRP 16 -6.273 5.875 1.520 107 HZ2 TRP 16 HZ2 TRP 16 -4.384 9.383 4.639 108 HZ3 TRP 16 HZ3 TRP 16 -3.899 5.822 2.281 109 HH2 TRP 16 HH2 TRP 16 -2.946 7.495 3.786 110 H SER 17 H SER 17 -11.613 5.712 2.740 111 HA SER 17 HA SER 17 -11.304 6.229 5.391 112 1HB SER 17 1HB SER 17 -13.423 4.386 4.206 113 2HB SER 17 2HB SER 17 -13.565 5.340 5.669 114 HG SER 17 HG SER 17 -12.954 7.156 3.886 115 H GLU 18 H GLU 18 -11.198 3.088 3.624 116 HA GLU 18 HA GLU 18 -11.064 1.541 5.961 117 1HB GLU 18 1HB GLU 18 -11.824 0.453 3.979 118 2HB GLU 18 2HB GLU 18 -10.463 1.021 3.033 119 1HG GLU 18 1HG GLU 18 -10.183 -1.370 3.599 120 2HG GLU 18 2HG GLU 18 -8.916 -0.413 4.341 121 H ILE 19 H ILE 19 -8.606 2.854 3.658 122 HA ILE 19 HA ILE 19 -6.403 1.609 4.843 123 HB ILE 19 HB ILE 19 -6.380 4.257 3.411 124 1HG1 ILE 19 1HG1 ILE 19 -7.750 2.996 1.991 125 2HG1 ILE 19 2HG1 ILE 19 -6.142 2.821 1.317 126 1HG2 ILE 19 1HG2 ILE 19 -4.256 3.546 4.373 127 2HG2 ILE 19 2HG2 ILE 19 -4.389 1.975 3.546 128 3HG2 ILE 19 3HG2 ILE 19 -4.205 3.469 2.595 129 1HD1 ILE 19 1HD1 ILE 19 -5.899 0.637 2.568 130 2HD1 ILE 19 2HD1 ILE 19 -7.593 0.804 3.089 131 3HD1 ILE 19 3HD1 ILE 19 -7.207 0.627 1.360 132 H ARG 20 H ARG 20 -8.253 4.552 5.629 133 HA ARG 20 HA ARG 20 -6.309 5.577 7.363 134 1HB ARG 20 1HB ARG 20 -9.292 6.065 6.986 135 2HB ARG 20 2HB ARG 20 -8.413 6.875 8.268 136 1HG ARG 20 1HG ARG 20 -6.710 7.439 6.255 137 2HG ARG 20 2HG ARG 20 -8.148 7.200 5.283 138 1HD ARG 20 1HD ARG 20 -8.097 9.047 7.714 139 2HD ARG 20 2HD ARG 20 -7.727 9.606 6.095 140 HE ARG 20 HE ARG 20 -10.156 8.295 5.784 141 1HH1 ARG 20 1HH1 ARG 20 -9.009 10.886 7.871 142 2HH1 ARG 20 2HH1 ARG 20 -10.561 11.647 7.993 143 1HH2 ARG 20 1HH2 ARG 20 -12.203 9.298 5.945 144 2HH2 ARG 20 2HH2 ARG 20 -12.389 10.737 6.891 145 H SER 21 H SER 21 -8.984 3.242 7.646 146 HA SER 21 HA SER 21 -9.120 3.319 10.449 147 1HB SER 21 1HB SER 21 -10.526 2.076 8.324 148 2HB SER 21 2HB SER 21 -9.911 0.752 9.293 149 HG SER 21 HG SER 21 -10.853 1.853 11.196 150 H ARG 22 H ARG 22 -7.403 1.259 8.028 151 HA ARG 22 HA ARG 22 -6.449 -0.622 9.761 152 1HB ARG 22 1HB ARG 22 -4.960 0.520 7.344 153 2HB ARG 22 2HB ARG 22 -4.734 -1.073 8.037 154 1HG ARG 22 1HG ARG 22 -7.556 -0.677 7.447 155 2HG ARG 22 2HG ARG 22 -6.609 -0.293 6.023 156 1HD ARG 22 1HD ARG 22 -5.356 -2.531 6.438 157 2HD ARG 22 2HD ARG 22 -6.618 -2.906 7.593 158 HE ARG 22 HE ARG 22 -7.659 -2.060 4.988 159 1HH1 ARG 22 1HH1 ARG 22 -6.514 -4.795 6.884 160 2HH1 ARG 22 2HH1 ARG 22 -7.359 -5.971 5.933 161 1HH2 ARG 22 1HH2 ARG 22 -8.774 -3.612 3.734 162 2HH2 ARG 22 2HH2 ARG 22 -8.653 -5.294 4.130 163 H ALA 23 H ALA 23 -5.349 2.705 9.073 164 HA ALA 23 HA ALA 23 -2.802 2.491 10.238 165 1HB ALA 23 1HB ALA 23 -4.094 5.116 10.456 166 2HB ALA 23 2HB ALA 23 -2.660 4.626 9.522 167 3HB ALA 23 3HB ALA 23 -4.288 4.392 8.842 168 H HIS 24 H HIS 24 -6.071 3.307 11.516 169 HA HIS 24 HA HIS 24 -5.203 4.085 14.046 170 1HB HIS 24 1HB HIS 24 -7.595 3.992 12.683 171 2HB HIS 24 2HB HIS 24 -7.833 2.768 13.914 172 HD1 HIS 24 HD1 HIS 24 -9.682 4.584 14.778 173 HD2 HIS 24 HD2 HIS 24 -5.645 5.617 15.265 174 HE1 HIS 24 HE1 HIS 24 -9.629 6.475 16.491 175 H ASN 25 H ASN 25 -6.119 0.885 12.661 176 HA ASN 25 HA ASN 25 -5.946 -0.446 15.113 177 1HB ASN 25 1HB ASN 25 -6.555 -1.078 12.367 178 2HB ASN 25 2HB ASN 25 -5.303 -2.195 12.874 179 1HD2 ASN 25 1HD2 ASN 25 -7.799 -3.077 12.244 180 2HD2 ASN 25 2HD2 ASN 25 -8.631 -3.660 13.648 181 H LEU 26 H LEU 26 -3.677 0.368 12.453 182 HA LEU 26 HA LEU 26 -1.585 -1.301 13.501 183 1HB LEU 26 1HB LEU 26 -1.696 0.724 11.266 184 2HB LEU 26 2HB LEU 26 -0.255 -0.177 11.693 185 HG LEU 26 HG LEU 26 -2.866 -1.456 10.841 186 1HD1 LEU 26 1HD1 LEU 26 -2.377 -1.032 8.722 187 2HD1 LEU 26 2HD1 LEU 26 -0.986 -0.054 9.247 188 3HD1 LEU 26 3HD1 LEU 26 -0.778 -1.790 8.913 189 1HD2 LEU 26 1HD2 LEU 26 -1.647 -3.011 12.139 190 2HD2 LEU 26 2HD2 LEU 26 -1.338 -3.437 10.439 191 3HD2 LEU 26 3HD2 LEU 26 -0.104 -2.560 11.375 192 H SER 27 H SER 27 -2.978 1.664 14.375 193 HA SER 27 HA SER 27 -2.405 3.202 15.795 194 1HB SER 27 1HB SER 27 0.098 1.551 16.362 195 2HB SER 27 2HB SER 27 -0.513 2.851 17.366 196 HG SER 27 HG SER 27 -1.163 0.755 18.165 197 H VAL 28 H VAL 28 -1.805 3.625 13.079 198 HA VAL 28 HA VAL 28 0.482 5.413 13.344 199 HB VAL 28 HB VAL 28 1.155 4.678 10.999 200 1HG1 VAL 28 1HG1 VAL 28 1.874 3.731 13.578 201 2HG1 VAL 28 2HG1 VAL 28 1.897 2.330 12.480 202 3HG1 VAL 28 3HG1 VAL 28 2.868 3.774 12.102 203 1HG2 VAL 28 1HG2 VAL 28 -0.188 2.071 11.727 204 2HG2 VAL 28 2HG2 VAL 28 -1.005 3.302 10.734 205 3HG2 VAL 28 3HG2 VAL 28 0.517 2.571 10.171 206 H GLU 29 H GLU 29 0.402 7.215 11.834 207 HA GLU 29 HA GLU 29 -2.304 7.556 10.801 208 1HB GLU 29 1HB GLU 29 -1.720 9.108 12.646 209 2HB GLU 29 2HB GLU 29 -0.316 9.663 11.757 210 1HG GLU 29 1HG GLU 29 -1.779 11.306 11.065 211 2HG GLU 29 2HG GLU 29 -2.181 10.112 9.846 212 H ILE 30 H ILE 30 -2.593 8.333 8.665 213 HA ILE 30 HA ILE 30 -0.176 8.913 7.148 214 HB ILE 30 HB ILE 30 -0.831 7.376 5.365 215 1HG1 ILE 30 1HG1 ILE 30 -2.970 6.479 7.315 216 2HG1 ILE 30 2HG1 ILE 30 -3.213 7.212 5.742 217 1HG2 ILE 30 1HG2 ILE 30 0.646 6.817 7.511 218 2HG2 ILE 30 2HG2 ILE 30 -0.633 5.603 7.752 219 3HG2 ILE 30 3HG2 ILE 30 0.309 5.615 6.242 220 1HD1 ILE 30 1HD1 ILE 30 -3.182 4.507 6.175 221 2HD1 ILE 30 2HD1 ILE 30 -2.786 5.261 4.612 222 3HD1 ILE 30 3HD1 ILE 30 -1.482 4.786 5.726 223 H LYS 31 H LYS 31 -0.751 9.854 4.954 224 HA LYS 31 HA LYS 31 -3.294 11.306 5.204 225 1HB LYS 31 1HB LYS 31 -0.532 12.200 4.571 226 2HB LYS 31 2HB LYS 31 -1.810 12.907 3.603 227 1HG LYS 31 1HG LYS 31 -1.796 12.831 6.658 228 2HG LYS 31 2HG LYS 31 -1.310 14.214 5.698 229 1HD LYS 31 1HD LYS 31 -3.803 13.598 4.614 230 2HD LYS 31 2HD LYS 31 -4.032 13.205 6.306 231 1HE LYS 31 1HE LYS 31 -4.241 15.411 6.786 232 2HE LYS 31 2HE LYS 31 -2.596 15.682 6.248 233 1HZ LYS 31 1HZ LYS 31 -3.882 15.500 3.938 234 2HZ LYS 31 2HZ LYS 31 -5.054 16.161 4.862 235 3HZ LYS 31 3HZ LYS 31 -3.611 16.911 4.714 236 H LYS 32 H LYS 32 -4.137 12.071 2.984 237 HA LYS 32 HA LYS 32 -4.043 9.744 1.244 238 1HB LYS 32 1HB LYS 32 -6.224 10.588 2.013 239 2HB LYS 32 2HB LYS 32 -5.898 12.144 1.278 240 1HG LYS 32 1HG LYS 32 -6.285 11.375 -0.861 241 2HG LYS 32 2HG LYS 32 -5.542 9.818 -0.553 242 1HD LYS 32 1HD LYS 32 -7.542 8.845 -0.063 243 2HD LYS 32 2HD LYS 32 -7.997 10.141 1.025 244 1HE LYS 32 1HE LYS 32 -8.260 11.442 -1.373 245 2HE LYS 32 2HE LYS 32 -8.608 9.804 -1.888 246 1HZ LYS 32 1HZ LYS 32 -9.943 11.206 0.322 247 2HZ LYS 32 2HZ LYS 32 -10.583 10.917 -1.152 248 3HZ LYS 32 3HZ LYS 32 -10.261 9.674 -0.144 249 H GLY 33 H GLY 33 -2.565 12.814 1.608 250 1HA GLY 33 1HA GLY 33 -2.297 13.416 -1.199 251 2HA GLY 33 2HA GLY 33 -1.536 14.230 0.153 252 HA PRO 34 HA PRO 34 2.037 11.754 -0.257 253 1HB PRO 34 1HB PRO 34 2.555 10.496 2.113 254 2HB PRO 34 2HB PRO 34 2.890 12.193 1.837 255 1HG PRO 34 1HG PRO 34 0.701 10.967 3.400 256 2HG PRO 34 2HG PRO 34 1.301 12.612 3.455 257 1HD PRO 34 1HD PRO 34 -1.103 11.704 2.182 258 2HD PRO 34 2HD PRO 34 -0.444 13.327 2.139 259 H TRP 35 H TRP 35 -0.479 9.783 1.169 260 HA TRP 35 HA TRP 35 0.533 7.304 0.645 261 1HB TRP 35 1HB TRP 35 -1.467 7.562 1.895 262 2HB TRP 35 2HB TRP 35 -2.292 8.355 0.568 263 HD1 TRP 35 HD1 TRP 35 -2.962 6.684 -1.582 264 HE1 TRP 35 HE1 TRP 35 -3.599 4.126 -1.710 265 HE3 TRP 35 HE3 TRP 35 -0.985 5.425 2.931 266 HZ2 TRP 35 HZ2 TRP 35 -3.213 1.913 0.051 267 HZ3 TRP 35 HZ3 TRP 35 -1.157 3.045 3.651 268 HH2 TRP 35 HH2 TRP 35 -2.225 1.316 2.292 269 H ARG 36 H ARG 36 -1.012 9.693 -1.555 270 HA ARG 36 HA ARG 36 -1.053 7.880 -3.719 271 1HB ARG 36 1HB ARG 36 -2.598 9.890 -3.421 272 2HB ARG 36 2HB ARG 36 -1.236 10.934 -3.779 273 1HG ARG 36 1HG ARG 36 -1.168 10.324 -6.032 274 2HG ARG 36 2HG ARG 36 -1.802 8.718 -5.733 275 1HD ARG 36 1HD ARG 36 -3.762 9.569 -6.562 276 2HD ARG 36 2HD ARG 36 -3.958 10.248 -4.958 277 HE ARG 36 HE ARG 36 -2.349 11.963 -6.681 278 1HH1 ARG 36 1HH1 ARG 36 -5.647 11.076 -5.834 279 2HH1 ARG 36 2HH1 ARG 36 -6.322 12.584 -6.353 280 1HH2 ARG 36 1HH2 ARG 36 -3.238 13.954 -7.366 281 2HH2 ARG 36 2HH2 ARG 36 -4.942 14.232 -7.230 282 H THR 37 H THR 37 0.956 10.750 -2.762 283 HA THR 37 HA THR 37 2.627 10.798 -4.973 284 HB THR 37 HB THR 37 2.943 11.584 -2.038 285 HG1 THR 37 HG1 THR 37 2.456 13.623 -3.057 286 1HG2 THR 37 1HG2 THR 37 5.101 12.247 -2.398 287 2HG2 THR 37 2HG2 THR 37 5.079 11.289 -3.899 288 3HG2 THR 37 3HG2 THR 37 4.649 13.016 -3.938 289 H PHE 38 H PHE 38 3.079 9.036 -1.838 290 HA PHE 38 HA PHE 38 5.512 7.906 -2.519 291 1HB PHE 38 1HB PHE 38 3.123 7.089 -0.777 292 2HB PHE 38 2HB PHE 38 4.583 6.120 -0.800 293 HD1 PHE 38 HD1 PHE 38 3.123 7.906 1.419 294 HD2 PHE 38 HD2 PHE 38 6.621 8.325 -0.947 295 HE1 PHE 38 HE1 PHE 38 4.133 9.387 3.175 296 HE2 PHE 38 HE2 PHE 38 7.631 9.806 0.810 297 HZ PHE 38 HZ PHE 38 6.375 10.319 2.850 298 H CYS 39 H CYS 39 2.194 7.063 -3.463 299 HA CYS 39 HA CYS 39 3.207 4.597 -4.657 300 1HB CYS 39 1HB CYS 39 1.246 4.401 -3.138 301 2HB CYS 39 2HB CYS 39 0.330 5.452 -4.200 302 HG CYS 39 HG CYS 39 0.063 3.987 -6.155 303 H ALA 40 H ALA 40 3.418 7.622 -5.488 304 HA ALA 40 HA ALA 40 2.003 7.455 -8.043 305 1HB ALA 40 1HB ALA 40 1.616 9.471 -6.717 306 2HB ALA 40 2HB ALA 40 3.368 9.758 -6.592 307 3HB ALA 40 3HB ALA 40 2.556 9.884 -8.171 308 H SER 41 H SER 41 5.247 8.451 -6.724 309 HA SER 41 HA SER 41 6.472 6.940 -8.826 310 1HB SER 41 1HB SER 41 6.122 9.072 -9.972 311 2HB SER 41 2HB SER 41 6.792 9.964 -8.620 312 HG SER 41 HG SER 41 8.177 9.330 -10.655 313 H GLU 42 H GLU 42 6.345 6.644 -5.963 314 HA GLU 42 HA GLU 42 9.084 7.369 -5.263 315 1HB GLU 42 1HB GLU 42 7.062 8.369 -3.925 316 2HB GLU 42 2HB GLU 42 6.923 6.771 -3.221 317 1HG GLU 42 1HG GLU 42 8.382 7.746 -1.692 318 2HG GLU 42 2HG GLU 42 9.544 7.049 -2.804 319 H TRP 43 H TRP 43 6.448 4.916 -4.835 320 HA TRP 43 HA TRP 43 8.282 2.960 -3.836 321 1HB TRP 43 1HB TRP 43 5.371 2.954 -4.596 322 2HB TRP 43 2HB TRP 43 6.218 1.466 -4.220 323 HD1 TRP 43 HD1 TRP 43 7.965 3.228 -1.819 324 HE1 TRP 43 HE1 TRP 43 6.842 3.510 0.553 325 HE3 TRP 43 HE3 TRP 43 3.227 2.219 -3.362 326 HZ2 TRP 43 HZ2 TRP 43 4.158 3.284 1.496 327 HZ3 TRP 43 HZ3 TRP 43 1.413 2.270 -1.652 328 HH2 TRP 43 HH2 TRP 43 1.818 2.780 0.704 329 HA PRO 44 HA PRO 44 7.679 1.561 -8.344 330 1HB PRO 44 1HB PRO 44 6.698 3.344 -10.166 331 2HB PRO 44 2HB PRO 44 5.702 2.143 -9.369 332 1HG PRO 44 1HG PRO 44 5.858 5.052 -8.865 333 2HG PRO 44 2HG PRO 44 4.602 3.923 -8.399 334 1HD PRO 44 1HD PRO 44 6.633 5.027 -6.701 335 2HD PRO 44 2HD PRO 44 5.449 3.811 -6.264 336 H THR 45 H THR 45 9.225 4.067 -7.054 337 HA THR 45 HA THR 45 11.028 4.279 -9.375 338 HB THR 45 HB THR 45 11.684 6.463 -8.098 339 HG1 THR 45 HG1 THR 45 9.022 5.908 -7.022 340 1HG2 THR 45 1HG2 THR 45 9.918 7.738 -9.093 341 2HG2 THR 45 2HG2 THR 45 10.033 6.297 -10.132 342 3HG2 THR 45 3HG2 THR 45 8.746 6.411 -8.907 343 H PHE 46 H PHE 46 10.720 2.305 -6.920 344 HA PHE 46 HA PHE 46 13.363 2.724 -5.778 345 1HB PHE 46 1HB PHE 46 10.918 0.953 -5.268 346 2HB PHE 46 2HB PHE 46 12.440 0.580 -4.484 347 HD1 PHE 46 HD1 PHE 46 10.793 0.887 -2.471 348 HD2 PHE 46 HD2 PHE 46 12.183 4.068 -4.911 349 HE1 PHE 46 HE1 PHE 46 10.253 2.523 -0.645 350 HE2 PHE 46 HE2 PHE 46 11.644 5.704 -3.085 351 HZ PHE 46 HZ PHE 46 10.685 4.912 -0.974 352 H ASP 47 H ASP 47 12.041 1.265 -8.501 353 HA ASP 47 HA ASP 47 12.713 -0.248 -9.900 354 1HB ASP 47 1HB ASP 47 15.195 0.591 -8.528 355 2HB ASP 47 2HB ASP 47 15.320 -1.022 -9.200 356 H VAL 48 H VAL 48 11.374 -2.023 -9.232 357 HA VAL 48 HA VAL 48 12.744 -4.247 -8.121 358 HB VAL 48 HB VAL 48 10.988 -4.440 -6.230 359 1HG1 VAL 48 1HG1 VAL 48 12.606 -3.818 -4.723 360 2HG1 VAL 48 2HG1 VAL 48 13.588 -3.905 -6.206 361 3HG1 VAL 48 3HG1 VAL 48 13.018 -2.328 -5.607 362 1HG2 VAL 48 1HG2 VAL 48 10.890 -1.778 -5.444 363 2HG2 VAL 48 2HG2 VAL 48 10.523 -1.714 -7.185 364 3HG2 VAL 48 3HG2 VAL 48 9.541 -2.733 -6.105 365 H GLY 49 H GLY 49 9.302 -3.080 -8.070 366 1HA GLY 49 1HA GLY 49 8.516 -4.348 -10.437 367 2HA GLY 49 2HA GLY 49 8.272 -5.479 -9.120 368 H TRP 50 H TRP 50 8.092 -1.915 -8.752 369 HA TRP 50 HA TRP 50 5.250 -2.251 -8.101 370 1HB TRP 50 1HB TRP 50 6.811 -1.464 -6.312 371 2HB TRP 50 2HB TRP 50 7.126 -0.032 -7.272 372 HD1 TRP 50 HD1 TRP 50 4.916 1.657 -7.642 373 HE1 TRP 50 HE1 TRP 50 2.830 2.205 -6.121 374 HE3 TRP 50 HE3 TRP 50 5.311 -2.474 -4.704 375 HZ2 TRP 50 HZ2 TRP 50 1.606 0.878 -3.910 376 HZ3 TRP 50 HZ3 TRP 50 3.631 -2.772 -2.887 377 HH2 TRP 50 HH2 TRP 50 1.825 -1.179 -2.468 378 HA PRO 51 HA PRO 51 4.784 -0.021 -11.870 379 1HB PRO 51 1HB PRO 51 2.085 -0.366 -12.126 380 2HB PRO 51 2HB PRO 51 3.260 -1.528 -12.710 381 1HG PRO 51 1HG PRO 51 1.528 -1.685 -10.320 382 2HG PRO 51 2HG PRO 51 2.376 -2.976 -11.148 383 1HD PRO 51 1HD PRO 51 3.137 -1.729 -8.679 384 2HD PRO 51 2HD PRO 51 4.044 -2.938 -9.567 385 HA PRO 52 HA PRO 52 3.387 3.839 -10.789 386 1HB PRO 52 1HB PRO 52 2.233 4.858 -13.048 387 2HB PRO 52 2HB PRO 52 3.967 4.798 -12.801 388 1HG PRO 52 1HG PRO 52 2.282 3.094 -14.531 389 2HG PRO 52 2HG PRO 52 4.016 3.337 -14.585 390 1HD PRO 52 1HD PRO 52 2.636 1.056 -13.528 391 2HD PRO 52 2HD PRO 52 4.362 1.352 -13.478 392 H GLU 53 H GLU 53 1.286 1.405 -11.188 393 HA GLU 53 HA GLU 53 -0.914 3.151 -10.396 394 1HB GLU 53 1HB GLU 53 -0.984 0.472 -11.850 395 2HB GLU 53 2HB GLU 53 -2.412 1.282 -11.237 396 1HG GLU 53 1HG GLU 53 -2.138 1.835 -13.608 397 2HG GLU 53 2HG GLU 53 -1.881 3.281 -12.652 398 H GLY 54 H GLY 54 1.355 0.824 -9.377 399 1HA GLY 54 1HA GLY 54 1.591 0.098 -7.200 400 2HA GLY 54 2HA GLY 54 -0.099 0.436 -6.880 401 H THR 55 H THR 55 0.671 -1.923 -5.901 402 HA THR 55 HA THR 55 -0.836 -3.793 -7.450 403 HB THR 55 HB THR 55 1.504 -3.776 -8.529 404 HG1 THR 55 HG1 THR 55 0.633 -6.145 -7.029 405 1HG2 THR 55 1HG2 THR 55 2.795 -5.587 -6.819 406 2HG2 THR 55 2HG2 THR 55 3.272 -3.890 -7.067 407 3HG2 THR 55 3HG2 THR 55 2.209 -4.326 -5.707 408 H PHE 56 H PHE 56 -1.214 -5.820 -6.280 409 HA PHE 56 HA PHE 56 -0.898 -5.337 -3.406 410 1HB PHE 56 1HB PHE 56 -2.889 -6.835 -5.195 411 2HB PHE 56 2HB PHE 56 -2.856 -7.118 -3.466 412 HD1 PHE 56 HD1 PHE 56 -2.812 -4.759 -2.082 413 HD2 PHE 56 HD2 PHE 56 -4.503 -5.376 -5.924 414 HE1 PHE 56 HE1 PHE 56 -4.327 -2.789 -1.731 415 HE2 PHE 56 HE2 PHE 56 -6.018 -3.405 -5.573 416 HZ PHE 56 HZ PHE 56 -5.912 -2.136 -3.481 417 H ASP 57 H ASP 57 1.377 -6.348 -4.608 418 HA ASP 57 HA ASP 57 1.174 -9.210 -4.124 419 1HB ASP 57 1HB ASP 57 2.110 -8.220 -6.345 420 2HB ASP 57 2HB ASP 57 3.508 -7.733 -5.408 421 H LEU 58 H LEU 58 1.718 -9.601 -1.959 422 HA LEU 58 HA LEU 58 3.106 -7.887 -0.323 423 1HB LEU 58 1HB LEU 58 1.668 -9.842 0.299 424 2HB LEU 58 2HB LEU 58 3.009 -10.896 -0.100 425 HG LEU 58 HG LEU 58 4.252 -9.228 1.634 426 1HD1 LEU 58 1HD1 LEU 58 2.294 -7.893 2.117 427 2HD1 LEU 58 2HD1 LEU 58 1.367 -9.349 2.556 428 3HD1 LEU 58 3HD1 LEU 58 2.748 -8.837 3.557 429 1HD2 LEU 58 1HD2 LEU 58 2.652 -11.718 2.279 430 2HD2 LEU 58 2HD2 LEU 58 4.354 -11.625 1.766 431 3HD2 LEU 58 3HD2 LEU 58 3.867 -10.986 3.354 432 H THR 59 H THR 59 4.277 -10.152 -2.769 433 HA THR 59 HA THR 59 6.908 -10.426 -1.836 434 HB THR 59 HB THR 59 5.829 -10.454 -4.703 435 HG1 THR 59 HG1 THR 59 4.630 -12.016 -3.637 436 1HG2 THR 59 1HG2 THR 59 8.035 -12.118 -3.391 437 2HG2 THR 59 2HG2 THR 59 7.600 -12.075 -5.116 438 3HG2 THR 59 3HG2 THR 59 8.371 -10.661 -4.357 439 H VAL 60 H VAL 60 5.491 -8.093 -4.222 440 HA VAL 60 HA VAL 60 7.946 -6.709 -4.496 441 HB VAL 60 HB VAL 60 5.825 -6.895 -6.021 442 1HG1 VAL 60 1HG1 VAL 60 5.136 -4.621 -4.159 443 2HG1 VAL 60 2HG1 VAL 60 4.551 -4.649 -5.840 444 3HG1 VAL 60 3HG1 VAL 60 4.113 -5.964 -4.723 445 1HG2 VAL 60 1HG2 VAL 60 7.513 -5.798 -7.079 446 2HG2 VAL 60 2HG2 VAL 60 6.465 -4.390 -6.782 447 3HG2 VAL 60 3HG2 VAL 60 7.834 -4.725 -5.695 448 H ILE 61 H ILE 61 4.995 -6.314 -2.475 449 HA ILE 61 HA ILE 61 5.544 -3.805 -1.467 450 HB ILE 61 HB ILE 61 4.084 -6.199 -0.386 451 1HG1 ILE 61 1HG1 ILE 61 2.947 -3.520 -1.173 452 2HG1 ILE 61 2HG1 ILE 61 3.298 -4.740 -2.381 453 1HG2 ILE 61 1HG2 ILE 61 4.203 -3.467 0.919 454 2HG2 ILE 61 2HG2 ILE 61 3.234 -4.866 1.441 455 3HG2 ILE 61 3HG2 ILE 61 5.011 -4.932 1.527 456 1HD1 ILE 61 1HD1 ILE 61 1.334 -4.885 -0.074 457 2HD1 ILE 61 2HD1 ILE 61 1.040 -5.167 -1.806 458 3HD1 ILE 61 3HD1 ILE 61 1.939 -6.369 -0.849 459 H PHE 62 H PHE 62 6.583 -7.060 -0.259 460 HA PHE 62 HA PHE 62 7.911 -6.214 1.985 461 1HB PHE 62 1HB PHE 62 7.698 -8.516 0.198 462 2HB PHE 62 2HB PHE 62 9.390 -8.308 0.607 463 HD1 PHE 62 HD1 PHE 62 10.204 -9.188 2.596 464 HD2 PHE 62 HD2 PHE 62 6.030 -8.534 2.201 465 HE1 PHE 62 HE1 PHE 62 9.816 -10.342 4.791 466 HE2 PHE 62 HE2 PHE 62 5.641 -9.688 4.396 467 HZ PHE 62 HZ PHE 62 7.539 -10.579 5.665 468 H GLU 63 H GLU 63 8.917 -6.112 -1.446 469 HA GLU 63 HA GLU 63 11.618 -5.619 -0.884 470 1HB GLU 63 1HB GLU 63 9.832 -5.407 -3.300 471 2HB GLU 63 2HB GLU 63 11.397 -4.621 -3.364 472 1HG GLU 63 1HG GLU 63 11.295 -7.458 -2.346 473 2HG GLU 63 2HG GLU 63 11.075 -7.202 -4.065 474 H VAL 64 H VAL 64 8.837 -3.471 -1.800 475 HA VAL 64 HA VAL 64 10.338 -1.098 -1.650 476 HB VAL 64 HB VAL 64 7.405 -1.777 -1.605 477 1HG1 VAL 64 1HG1 VAL 64 8.719 0.915 -1.239 478 2HG1 VAL 64 2HG1 VAL 64 7.127 0.767 -2.023 479 3HG1 VAL 64 3HG1 VAL 64 7.353 0.197 -0.352 480 1HG2 VAL 64 1HG2 VAL 64 8.830 -2.003 -3.703 481 2HG2 VAL 64 2HG2 VAL 64 7.383 -0.977 -3.839 482 3HG2 VAL 64 3HG2 VAL 64 8.990 -0.231 -3.671 483 H LYS 65 H LYS 65 8.421 -2.999 0.718 484 HA LYS 65 HA LYS 65 8.477 -1.046 2.739 485 1HB LYS 65 1HB LYS 65 6.830 -2.748 2.852 486 2HB LYS 65 2HB LYS 65 8.014 -4.031 2.713 487 1HG LYS 65 1HG LYS 65 9.024 -3.044 4.932 488 2HG LYS 65 2HG LYS 65 7.492 -2.208 5.087 489 1HD LYS 65 1HD LYS 65 6.299 -4.157 5.488 490 2HD LYS 65 2HD LYS 65 7.321 -5.131 4.450 491 1HE LYS 65 1HE LYS 65 9.024 -4.284 6.559 492 2HE LYS 65 2HE LYS 65 7.510 -4.693 7.341 493 1HZ LYS 65 1HZ LYS 65 8.266 -6.756 7.176 494 2HZ LYS 65 2HZ LYS 65 7.832 -6.700 5.603 495 3HZ LYS 65 3HZ LYS 65 9.378 -6.400 6.035 496 H ALA 66 H ALA 66 10.565 -3.928 2.047 497 HA ALA 66 HA ALA 66 12.247 -3.654 4.218 498 1HB ALA 66 1HB ALA 66 13.899 -4.829 2.620 499 2HB ALA 66 2HB ALA 66 12.347 -5.643 2.930 500 3HB ALA 66 3HB ALA 66 12.595 -4.748 1.411 501 H ILE 67 H ILE 67 11.928 -1.724 1.286 502 HA ILE 67 HA ILE 67 14.536 -0.577 1.467 503 HB ILE 67 HB ILE 67 12.056 0.016 -0.127 504 1HG1 ILE 67 1HG1 ILE 67 14.796 -0.788 -1.111 505 2HG1 ILE 67 2HG1 ILE 67 13.618 -1.977 -0.590 506 1HG2 ILE 67 1HG2 ILE 67 13.051 2.171 0.320 507 2HG2 ILE 67 2HG2 ILE 67 14.661 1.563 -0.133 508 3HG2 ILE 67 3HG2 ILE 67 13.383 1.700 -1.364 509 1HD1 ILE 67 1HD1 ILE 67 12.215 -1.597 -2.392 510 2HD1 ILE 67 2HD1 ILE 67 12.642 0.128 -2.494 511 3HD1 ILE 67 3HD1 ILE 67 13.752 -1.104 -3.142 512 H VAL 68 H VAL 68 11.168 0.512 2.261 513 HA VAL 68 HA VAL 68 12.055 2.956 3.370 514 HB VAL 68 HB VAL 68 9.828 3.343 3.834 515 1HG1 VAL 68 1HG1 VAL 68 9.046 1.348 1.820 516 2HG1 VAL 68 2HG1 VAL 68 8.955 3.125 1.774 517 3HG1 VAL 68 3HG1 VAL 68 10.480 2.301 1.369 518 1HG2 VAL 68 1HG2 VAL 68 8.855 1.874 5.229 519 2HG2 VAL 68 2HG2 VAL 68 8.315 1.039 3.752 520 3HG2 VAL 68 3HG2 VAL 68 9.792 0.502 4.588 521 H PHE 69 H PHE 69 11.724 -0.365 4.547 522 HA PHE 69 HA PHE 69 12.104 0.553 7.287 523 1HB PHE 69 1HB PHE 69 11.323 -2.006 5.820 524 2HB PHE 69 2HB PHE 69 11.914 -2.137 7.464 525 HD1 PHE 69 HD1 PHE 69 10.630 -1.154 9.326 526 HD2 PHE 69 HD2 PHE 69 9.141 -1.115 5.353 527 HE1 PHE 69 HE1 PHE 69 8.330 -0.649 10.194 528 HE2 PHE 69 HE2 PHE 69 6.840 -0.610 6.221 529 HZ PHE 69 HZ PHE 69 6.462 -0.383 8.631 530 H GLN 70 H GLN 70 14.238 0.778 5.181 531 HA GLN 70 HA GLN 70 16.061 -1.319 5.844 532 1HB GLN 70 1HB GLN 70 17.515 -0.333 4.212 533 2HB GLN 70 2HB GLN 70 15.892 -0.194 3.564 534 1HG GLN 70 1HG GLN 70 15.757 2.161 4.393 535 2HG GLN 70 2HG GLN 70 17.374 2.024 5.055 536 1HE2 GLN 70 1HE2 GLN 70 15.425 2.290 2.198 537 2HE2 GLN 70 2HE2 GLN 70 16.685 2.616 1.054 538 H ASP 71 H ASP 71 18.535 0.020 6.020 539 HA ASP 71 HA ASP 71 18.207 1.230 8.637 540 1HB ASP 71 1HB ASP 71 19.701 -0.728 8.515 541 2HB ASP 71 2HB ASP 71 20.622 0.012 7.221 542 H GLY 72 H GLY 72 19.791 3.099 9.130 543 1HA GLY 72 1HA GLY 72 21.029 4.932 8.535 544 2HA GLY 72 2HA GLY 72 20.887 4.504 6.842 545 HA PRO 73 HA PRO 73 17.976 7.921 7.689 546 1HB PRO 73 1HB PRO 73 19.066 9.808 6.039 547 2HB PRO 73 2HB PRO 73 19.415 9.718 7.754 548 1HG PRO 73 1HG PRO 73 21.117 8.920 5.473 549 2HG PRO 73 2HG PRO 73 21.583 9.238 7.132 550 1HD PRO 73 1HD PRO 73 21.294 6.667 5.892 551 2HD PRO 73 2HD PRO 73 21.647 6.983 7.579 552 H GLY 74 H GLY 74 18.846 5.918 5.251 553 1HA GLY 74 1HA GLY 74 17.332 7.017 3.112 554 2HA GLY 74 2HA GLY 74 17.928 5.376 3.264 555 H SER 75 H SER 75 16.644 4.736 5.820 556 HA SER 75 HA SER 75 14.333 3.659 4.943 557 1HB SER 75 1HB SER 75 13.702 3.515 7.398 558 2HB SER 75 2HB SER 75 15.305 2.919 7.015 559 HG SER 75 HG SER 75 15.944 5.300 7.559 560 H HIS 76 H HIS 76 12.026 4.175 5.376 561 HA HIS 76 HA HIS 76 11.609 7.062 5.664 562 1HB HIS 76 1HB HIS 76 9.820 5.331 3.976 563 2HB HIS 76 2HB HIS 76 10.015 7.072 3.953 564 HD1 HIS 76 HD1 HIS 76 12.594 7.850 3.132 565 HD2 HIS 76 HD2 HIS 76 11.179 4.077 1.969 566 HE1 HIS 76 HE1 HIS 76 14.019 7.136 1.140 567 HA PRO 77 HA PRO 77 9.251 5.284 8.960 568 1HB PRO 77 1HB PRO 77 9.302 7.477 10.589 569 2HB PRO 77 2HB PRO 77 10.532 6.230 10.623 570 1HG PRO 77 1HG PRO 77 10.684 8.952 9.480 571 2HG PRO 77 2HG PRO 77 11.991 7.864 9.902 572 1HD PRO 77 1HD PRO 77 11.008 8.423 7.266 573 2HD PRO 77 2HD PRO 77 12.236 7.251 7.700 574 H ASP 78 H ASP 78 8.649 7.743 6.796 575 HA ASP 78 HA ASP 78 6.091 8.358 7.925 576 1HB ASP 78 1HB ASP 78 7.680 9.936 6.575 577 2HB ASP 78 2HB ASP 78 7.093 9.103 5.149 578 H GLN 79 H GLN 79 7.587 6.516 5.215 579 HA GLN 79 HA GLN 79 5.000 5.791 4.199 580 1HB GLN 79 1HB GLN 79 7.799 4.963 3.311 581 2HB GLN 79 2HB GLN 79 6.319 4.578 2.455 582 1HG GLN 79 1HG GLN 79 5.859 6.940 2.032 583 2HG GLN 79 2HG GLN 79 7.161 7.441 3.093 584 1HE2 GLN 79 1HE2 GLN 79 8.658 8.337 1.894 585 2HE2 GLN 79 2HE2 GLN 79 9.369 7.691 0.453 586 H GLN 80 H GLN 80 7.278 4.679 6.544 587 HA GLN 80 HA GLN 80 7.212 1.991 6.330 588 1HB GLN 80 1HB GLN 80 7.522 3.947 8.542 589 2HB GLN 80 2HB GLN 80 7.023 2.352 9.068 590 1HG GLN 80 1HG GLN 80 8.956 1.301 8.124 591 2HG GLN 80 2HG GLN 80 9.321 2.680 7.106 592 1HE2 GLN 80 1HE2 GLN 80 11.365 2.997 7.828 593 2HE2 GLN 80 2HE2 GLN 80 11.774 3.558 9.414 594 HA PRO 81 HA PRO 81 3.013 2.019 8.552 595 1HB PRO 81 1HB PRO 81 1.617 4.358 8.770 596 2HB PRO 81 2HB PRO 81 2.630 3.724 10.051 597 1HG PRO 81 1HG PRO 81 3.163 5.973 8.209 598 2HG PRO 81 2HG PRO 81 3.938 5.597 9.735 599 1HD PRO 81 1HD PRO 81 5.004 5.144 7.110 600 2HD PRO 81 2HD PRO 81 5.727 4.663 8.633 601 H TYR 82 H TYR 82 3.557 3.944 5.771 602 HA TYR 82 HA TYR 82 0.938 3.539 4.702 603 1HB TYR 82 1HB TYR 82 3.707 4.434 3.716 604 2HB TYR 82 2HB TYR 82 2.353 4.345 2.607 605 HD1 TYR 82 HD1 TYR 82 1.525 6.443 2.092 606 HD2 TYR 82 HD2 TYR 82 2.781 5.659 6.106 607 HE1 TYR 82 HE1 TYR 82 0.815 8.785 2.779 608 HE2 TYR 82 HE2 TYR 82 2.067 8.004 6.780 609 HH TYR 82 HH TYR 82 1.674 10.102 5.842 610 H ILE 83 H ILE 83 4.237 2.165 4.057 611 HA ILE 83 HA ILE 83 3.305 0.390 2.075 612 HB ILE 83 HB ILE 83 5.626 1.246 2.344 613 1HG1 ILE 83 1HG1 ILE 83 6.711 -0.929 1.737 614 2HG1 ILE 83 2HG1 ILE 83 5.230 -1.755 2.180 615 1HG2 ILE 83 1HG2 ILE 83 5.402 -0.243 4.879 616 2HG2 ILE 83 2HG2 ILE 83 6.907 -0.523 3.970 617 3HG2 ILE 83 3HG2 ILE 83 6.441 1.132 4.433 618 1HD1 ILE 83 1HD1 ILE 83 3.983 -0.736 0.425 619 2HD1 ILE 83 2HD1 ILE 83 5.198 0.544 0.192 620 3HD1 ILE 83 3HD1 ILE 83 5.552 -1.124 -0.319 621 H THR 84 H THR 84 3.295 0.371 5.592 622 HA THR 84 HA THR 84 3.143 -2.432 5.936 623 HB THR 84 HB THR 84 2.481 0.047 7.576 624 HG1 THR 84 HG1 THR 84 4.266 -2.275 7.786 625 1HG2 THR 84 1HG2 THR 84 1.559 -2.727 8.039 626 2HG2 THR 84 2HG2 THR 84 2.624 -2.134 9.336 627 3HG2 THR 84 3HG2 THR 84 1.141 -1.240 8.925 628 H VAL 85 H VAL 85 0.600 0.140 5.741 629 HA VAL 85 HA VAL 85 -1.561 -1.536 6.100 630 HB VAL 85 HB VAL 85 -1.271 0.978 4.444 631 1HG1 VAL 85 1HG1 VAL 85 -3.836 1.049 5.221 632 2HG1 VAL 85 2HG1 VAL 85 -3.317 0.298 3.693 633 3HG1 VAL 85 3HG1 VAL 85 -3.632 -0.716 5.122 634 1HG2 VAL 85 1HG2 VAL 85 -1.460 2.192 6.340 635 2HG2 VAL 85 2HG2 VAL 85 -2.611 1.054 7.081 636 3HG2 VAL 85 3HG2 VAL 85 -0.866 0.710 7.127 637 H TRP 86 H TRP 86 0.364 -0.783 3.157 638 HA TRP 86 HA TRP 86 -1.329 -2.041 1.329 639 1HB TRP 86 1HB TRP 86 1.541 -1.222 1.386 640 2HB TRP 86 2HB TRP 86 1.014 -2.315 0.121 641 HD1 TRP 86 HD1 TRP 86 0.294 1.278 1.399 642 HE1 TRP 86 HE1 TRP 86 -0.734 2.771 -0.519 643 HE3 TRP 86 HE3 TRP 86 -0.179 -2.481 -1.992 644 HZ2 TRP 86 HZ2 TRP 86 -1.609 2.224 -3.180 645 HZ3 TRP 86 HZ3 TRP 86 -1.129 -1.917 -4.226 646 HH2 TRP 86 HH2 TRP 86 -1.833 0.341 -4.843 647 H GLN 87 H GLN 87 1.242 -3.204 3.549 648 HA GLN 87 HA GLN 87 1.377 -5.768 2.433 649 1HB GLN 87 1HB GLN 87 3.214 -4.926 3.773 650 2HB GLN 87 2HB GLN 87 2.169 -4.654 5.153 651 1HG GLN 87 1HG GLN 87 1.780 -7.380 4.528 652 2HG GLN 87 2HG GLN 87 3.497 -7.130 4.284 653 1HE2 GLN 87 1HE2 GLN 87 4.258 -8.172 6.026 654 2HE2 GLN 87 2HE2 GLN 87 3.988 -7.706 7.672 655 H ASP 88 H ASP 88 -0.622 -4.240 4.982 656 HA ASP 88 HA ASP 88 -1.664 -6.684 5.909 657 1HB ASP 88 1HB ASP 88 -1.763 -4.832 7.414 658 2HB ASP 88 2HB ASP 88 -2.428 -3.762 6.196 659 H LEU 89 H LEU 89 -2.394 -4.350 3.330 660 HA LEU 89 HA LEU 89 -5.082 -5.053 2.911 661 1HB LEU 89 1HB LEU 89 -2.956 -3.599 1.414 662 2HB LEU 89 2HB LEU 89 -4.366 -4.135 0.522 663 HG LEU 89 HG LEU 89 -4.618 -2.510 3.054 664 1HD1 LEU 89 1HD1 LEU 89 -4.969 -0.992 0.590 665 2HD1 LEU 89 2HD1 LEU 89 -4.052 -0.597 2.064 666 3HD1 LEU 89 3HD1 LEU 89 -3.306 -1.593 0.791 667 1HD2 LEU 89 1HD2 LEU 89 -6.658 -1.957 1.176 668 2HD2 LEU 89 2HD2 LEU 89 -6.465 -3.726 1.225 669 3HD2 LEU 89 3HD2 LEU 89 -6.787 -2.824 2.726 670 H VAL 90 H VAL 90 -2.009 -6.109 1.292 671 HA VAL 90 HA VAL 90 -3.222 -7.926 -0.425 672 HB VAL 90 HB VAL 90 -0.972 -8.889 -0.608 673 1HG1 VAL 90 1HG1 VAL 90 -0.616 -5.900 -0.458 674 2HG1 VAL 90 2HG1 VAL 90 -0.009 -7.051 -1.671 675 3HG1 VAL 90 3HG1 VAL 90 -1.737 -6.624 -1.636 676 1HG2 VAL 90 1HG2 VAL 90 -0.368 -8.745 1.798 677 2HG2 VAL 90 2HG2 VAL 90 0.884 -8.071 0.726 678 3HG2 VAL 90 3HG2 VAL 90 -0.199 -6.982 1.625 679 H GLN 91 H GLN 91 -1.972 -8.271 2.942 680 HA GLN 91 HA GLN 91 -2.308 -11.009 3.084 681 1HB GLN 91 1HB GLN 91 -2.111 -8.768 5.088 682 2HB GLN 91 2HB GLN 91 -2.593 -10.351 5.666 683 1HG GLN 91 1HG GLN 91 -0.554 -11.377 4.843 684 2HG GLN 91 2HG GLN 91 -0.126 -9.948 3.922 685 1HE2 GLN 91 1HE2 GLN 91 0.548 -11.645 6.613 686 2HE2 GLN 91 2HE2 GLN 91 1.197 -10.420 7.652 687 H ASN 92 H ASN 92 -4.434 -8.441 4.558 688 HA ASN 92 HA ASN 92 -6.538 -10.373 4.727 689 1HB ASN 92 1HB ASN 92 -6.172 -7.483 5.609 690 2HB ASN 92 2HB ASN 92 -7.774 -8.195 5.617 691 1HD2 ASN 92 1HD2 ASN 92 -4.834 -7.845 7.235 692 2HD2 ASN 92 2HD2 ASN 92 -5.066 -8.974 8.527 693 H SER 93 H SER 93 -6.063 -10.198 2.074 694 HA SER 93 HA SER 93 -6.788 -8.217 0.518 695 1HB SER 93 1HB SER 93 -7.503 -9.843 -1.141 696 2HB SER 93 2HB SER 93 -6.188 -10.541 -0.216 697 HG SER 93 HG SER 93 -8.462 -11.712 -0.647 698 HA PRO 94 HA PRO 94 -10.892 -7.330 1.876 699 1HB PRO 94 1HB PRO 94 -11.141 -4.912 0.627 700 2HB PRO 94 2HB PRO 94 -10.426 -5.101 2.215 701 1HG PRO 94 1HG PRO 94 -9.088 -4.598 -0.372 702 2HG PRO 94 2HG PRO 94 -8.463 -4.370 1.249 703 1HD PRO 94 1HD PRO 94 -7.841 -6.522 -0.542 704 2HD PRO 94 2HD PRO 94 -7.309 -6.354 1.119 705 HA PRO 95 HA PRO 95 -13.399 -8.462 -1.353 706 1HB PRO 95 1HB PRO 95 -15.815 -7.334 -0.752 707 2HB PRO 95 2HB PRO 95 -15.230 -8.804 0.002 708 1HG PRO 95 1HG PRO 95 -15.378 -6.075 1.130 709 2HG PRO 95 2HG PRO 95 -15.208 -7.603 1.971 710 1HD PRO 95 1HD PRO 95 -13.141 -5.678 1.474 711 2HD PRO 95 2HD PRO 95 -12.948 -7.256 2.212 712 H TRP 96 H TRP 96 -12.991 -5.113 -0.757 713 HA TRP 96 HA TRP 96 -14.201 -4.348 -3.248 714 1HB TRP 96 1HB TRP 96 -13.280 -2.108 -2.650 715 2HB TRP 96 2HB TRP 96 -14.399 -2.797 -1.490 716 HD1 TRP 96 HD1 TRP 96 -13.384 -3.440 0.946 717 HE1 TRP 96 HE1 TRP 96 -11.178 -2.838 2.265 718 HE3 TRP 96 HE3 TRP 96 -10.826 -1.689 -3.084 719 HZ2 TRP 96 HZ2 TRP 96 -8.668 -1.723 1.491 720 HZ3 TRP 96 HZ3 TRP 96 -8.503 -0.862 -2.716 721 HH2 TRP 96 HH2 TRP 96 -7.422 -0.860 -0.524 722 H ILE 97 H ILE 97 -11.290 -5.832 -2.241 723 HA ILE 97 HA ILE 97 -9.771 -4.656 -4.444 724 HB ILE 97 HB ILE 97 -9.113 -5.926 -1.857 725 1HG1 ILE 97 1HG1 ILE 97 -7.962 -3.699 -3.553 726 2HG1 ILE 97 2HG1 ILE 97 -8.882 -3.552 -2.069 727 1HG2 ILE 97 1HG2 ILE 97 -7.250 -6.206 -4.230 728 2HG2 ILE 97 2HG2 ILE 97 -6.919 -6.671 -2.544 729 3HG2 ILE 97 3HG2 ILE 97 -8.163 -7.535 -3.478 730 1HD1 ILE 97 1HD1 ILE 97 -6.468 -3.251 -1.629 731 2HD1 ILE 97 2HD1 ILE 97 -7.069 -4.715 -0.814 732 3HD1 ILE 97 3HD1 ILE 97 -6.133 -4.857 -2.322 733 H LYS 98 H LYS 98 -10.554 -7.902 -3.005 734 HA LYS 98 HA LYS 98 -10.582 -8.919 -5.757 735 1HB LYS 98 1HB LYS 98 -9.005 -9.864 -3.413 736 2HB LYS 98 2HB LYS 98 -9.742 -11.097 -4.416 737 1HG LYS 98 1HG LYS 98 -8.562 -9.058 -6.123 738 2HG LYS 98 2HG LYS 98 -7.370 -9.591 -4.955 739 1HD LYS 98 1HD LYS 98 -8.887 -11.861 -6.049 740 2HD LYS 98 2HD LYS 98 -8.122 -10.932 -7.323 741 1HE LYS 98 1HE LYS 98 -5.923 -11.161 -6.266 742 2HE LYS 98 2HE LYS 98 -6.629 -11.883 -4.834 743 1HZ LYS 98 1HZ LYS 98 -5.665 -13.410 -6.573 744 2HZ LYS 98 2HZ LYS 98 -7.141 -13.799 -5.993 745 3HZ LYS 98 3HZ LYS 98 -6.999 -13.105 -7.464 746 H SER 99 H SER 99 -11.469 -11.499 -5.251 747 HA SER 99 HA SER 99 -13.596 -11.460 -3.398 748 1HB SER 99 1HB SER 99 -14.113 -10.691 -6.224 749 2HB SER 99 2HB SER 99 -15.169 -11.951 -5.617 750 HG SER 99 HG SER 99 -16.046 -10.588 -4.130 751 H GLY 100 H GLY 100 -12.443 -12.838 -6.558 752 1HA GLY 100 1HA GLY 100 -11.987 -14.949 -7.180 753 2HA GLY 100 2HA GLY 100 -11.805 -15.351 -5.484 754 HA PRO 101 HA PRO 101 -16.263 -16.243 -6.923 755 1HB PRO 101 1HB PRO 101 -16.586 -16.793 -9.581 756 2HB PRO 101 2HB PRO 101 -16.943 -15.229 -8.875 757 1HG PRO 101 1HG PRO 101 -14.634 -16.028 -10.539 758 2HG PRO 101 2HG PRO 101 -15.228 -14.417 -10.187 759 1HD PRO 101 1HD PRO 101 -12.934 -15.692 -9.028 760 2HD PRO 101 2HD PRO 101 -13.596 -14.129 -8.593 761 H SER 102 H SER 102 -13.857 -17.843 -8.952 762 HA SER 102 HA SER 102 -14.747 -20.304 -7.668 763 1HB SER 102 1HB SER 102 -15.502 -20.166 -10.057 764 2HB SER 102 2HB SER 102 -13.832 -19.994 -10.562 765 HG SER 102 HG SER 102 -14.955 -22.246 -10.500 766 H SER 103 H SER 103 -12.088 -18.843 -9.688 767 HA SER 103 HA SER 103 -10.227 -19.925 -7.741 768 1HB SER 103 1HB SER 103 -10.114 -20.300 -10.757 769 2HB SER 103 2HB SER 103 -8.683 -20.446 -9.757 770 HG SER 103 HG SER 103 -11.016 -22.106 -9.835 771 H GLY 104 H GLY 104 -8.010 -18.832 -7.941 772 1HA GLY 104 1HA GLY 104 -6.882 -16.882 -7.802 773 2HA GLY 104 2HA GLY 104 -7.341 -16.710 -9.485 Start of MODEL 19 1 1H GLY 0 1H GLY 0 -3.328 -11.876 -9.276 2 1HA GLY 0 1HA GLY 0 -3.387 -9.968 -8.044 3 2HA GLY 0 2HA GLY 0 -2.620 -10.797 -6.704 4 H SER 1 H SER 1 -2.096 -8.993 -9.726 5 HA SER 1 HA SER 1 0.464 -8.215 -8.748 6 1HB SER 1 1HB SER 1 0.499 -10.455 -10.337 7 2HB SER 1 2HB SER 1 0.638 -9.205 -11.558 8 HG SER 1 HG SER 1 2.724 -9.293 -11.037 9 H SER 2 H SER 2 -1.164 -8.408 -12.004 10 HA SER 2 HA SER 2 -1.999 -5.731 -11.871 11 1HB SER 2 1HB SER 2 0.503 -5.466 -12.269 12 2HB SER 2 2HB SER 2 0.291 -6.282 -13.806 13 HG SER 2 HG SER 2 -0.287 -4.404 -14.631 14 H GLY 3 H GLY 3 -3.008 -5.059 -14.053 15 1HA GLY 3 1HA GLY 3 -3.618 -5.826 -16.268 16 2HA GLY 3 2HA GLY 3 -3.733 -7.454 -15.630 17 H SER 4 H SER 4 -5.901 -6.317 -17.004 18 HA SER 4 HA SER 4 -8.048 -6.038 -16.861 19 1HB SER 4 1HB SER 4 -7.593 -7.111 -14.055 20 2HB SER 4 2HB SER 4 -9.198 -6.690 -14.618 21 HG SER 4 HG SER 4 -8.431 -9.002 -14.911 22 H SER 5 H SER 5 -9.732 -4.488 -16.135 23 HA SER 5 HA SER 5 -8.672 -2.026 -15.544 24 1HB SER 5 1HB SER 5 -11.547 -2.911 -15.049 25 2HB SER 5 2HB SER 5 -10.995 -1.273 -15.343 26 HG SER 5 HG SER 5 -10.459 -1.817 -17.491 27 H GLY 6 H GLY 6 -9.275 -0.605 -13.596 28 1HA GLY 6 1HA GLY 6 -9.645 -0.293 -11.354 29 2HA GLY 6 2HA GLY 6 -9.790 -2.023 -11.115 30 H THR 7 H THR 7 -7.960 0.508 -10.182 31 HA THR 7 HA THR 7 -5.436 -1.006 -10.288 32 HB THR 7 HB THR 7 -4.499 1.365 -9.775 33 HG1 THR 7 HG1 THR 7 -6.256 2.944 -10.589 34 1HG2 THR 7 1HG2 THR 7 -4.202 1.652 -12.031 35 2HG2 THR 7 2HG2 THR 7 -5.195 0.191 -12.241 36 3HG2 THR 7 3HG2 THR 7 -5.954 1.799 -12.305 37 HA PRO 8 HA PRO 8 -5.469 -1.408 -6.018 38 1HB PRO 8 1HB PRO 8 -2.825 -1.259 -5.345 39 2HB PRO 8 2HB PRO 8 -3.561 -2.696 -6.026 40 1HG PRO 8 1HG PRO 8 -1.783 -0.729 -7.332 41 2HG PRO 8 2HG PRO 8 -2.178 -2.359 -7.840 42 1HD PRO 8 1HD PRO 8 -3.216 0.080 -8.937 43 2HD PRO 8 2HD PRO 8 -3.696 -1.550 -9.365 44 H LEU 9 H LEU 9 -3.301 1.237 -6.896 45 HA LEU 9 HA LEU 9 -3.517 2.554 -4.460 46 1HB LEU 9 1HB LEU 9 -1.759 3.126 -5.891 47 2HB LEU 9 2HB LEU 9 -2.824 3.404 -7.255 48 HG LEU 9 HG LEU 9 -3.760 5.395 -5.995 49 1HD1 LEU 9 1HD1 LEU 9 -2.100 4.339 -3.924 50 2HD1 LEU 9 2HD1 LEU 9 -1.499 5.955 -4.368 51 3HD1 LEU 9 3HD1 LEU 9 -3.197 5.740 -3.880 52 1HD2 LEU 9 1HD2 LEU 9 -0.973 5.200 -7.077 53 2HD2 LEU 9 2HD2 LEU 9 -2.408 6.011 -7.748 54 3HD2 LEU 9 3HD2 LEU 9 -1.536 6.736 -6.375 55 H SER 10 H SER 10 -5.544 2.663 -7.431 56 HA SER 10 HA SER 10 -7.106 4.799 -6.562 57 1HB SER 10 1HB SER 10 -6.910 3.905 -8.930 58 2HB SER 10 2HB SER 10 -7.910 2.547 -8.455 59 HG SER 10 HG SER 10 -8.715 4.988 -9.267 60 H LEU 11 H LEU 11 -7.423 1.209 -6.297 61 HA LEU 11 HA LEU 11 -9.978 1.203 -5.169 62 1HB LEU 11 1HB LEU 11 -7.675 -0.733 -5.129 63 2HB LEU 11 2HB LEU 11 -9.178 -1.069 -4.294 64 HG LEU 11 HG LEU 11 -9.208 -0.345 -7.214 65 1HD1 LEU 11 1HD1 LEU 11 -9.144 -3.231 -6.538 66 2HD1 LEU 11 2HD1 LEU 11 -8.512 -2.361 -7.957 67 3HD1 LEU 11 3HD1 LEU 11 -7.597 -2.357 -6.430 68 1HD2 LEU 11 1HD2 LEU 11 -11.025 -2.395 -6.126 69 2HD2 LEU 11 2HD2 LEU 11 -11.219 -0.770 -5.426 70 3HD2 LEU 11 3HD2 LEU 11 -11.354 -1.003 -7.185 71 H THR 12 H THR 12 -6.686 1.502 -3.752 72 HA THR 12 HA THR 12 -7.567 1.349 -1.066 73 HB THR 12 HB THR 12 -5.201 2.515 -0.815 74 HG1 THR 12 HG1 THR 12 -4.946 3.300 -2.938 75 1HG2 THR 12 1HG2 THR 12 -5.849 -0.209 -1.933 76 2HG2 THR 12 2HG2 THR 12 -4.154 0.327 -2.027 77 3HG2 THR 12 3HG2 THR 12 -4.967 0.218 -0.447 78 H LEU 13 H LEU 13 -6.800 4.145 -3.236 79 HA LEU 13 HA LEU 13 -7.349 6.095 -1.329 80 1HB LEU 13 1HB LEU 13 -7.360 6.059 -4.337 81 2HB LEU 13 2HB LEU 13 -7.765 7.506 -3.436 82 HG LEU 13 HG LEU 13 -5.138 6.000 -3.301 83 1HD1 LEU 13 1HD1 LEU 13 -5.249 8.813 -4.223 84 2HD1 LEU 13 2HD1 LEU 13 -4.251 7.451 -4.784 85 3HD1 LEU 13 3HD1 LEU 13 -5.942 7.597 -5.322 86 1HD2 LEU 13 1HD2 LEU 13 -6.322 8.052 -1.554 87 2HD2 LEU 13 2HD2 LEU 13 -4.994 6.906 -1.256 88 3HD2 LEU 13 3HD2 LEU 13 -4.680 8.424 -2.130 89 H ASP 14 H ASP 14 -9.465 4.457 -3.759 90 HA ASP 14 HA ASP 14 -11.699 5.950 -3.380 91 1HB ASP 14 1HB ASP 14 -11.181 3.062 -4.088 92 2HB ASP 14 2HB ASP 14 -12.838 3.542 -3.780 93 H HIS 15 H HIS 15 -10.205 3.417 -1.361 94 HA HIS 15 HA HIS 15 -12.440 3.680 0.517 95 1HB HIS 15 1HB HIS 15 -10.705 1.332 -0.213 96 2HB HIS 15 2HB HIS 15 -11.458 1.414 1.368 97 HD1 HIS 15 HD1 HIS 15 -14.263 2.290 0.897 98 HD2 HIS 15 HD2 HIS 15 -12.267 -0.242 -1.786 99 HE1 HIS 15 HE1 HIS 15 -16.077 1.063 -0.412 100 H TRP 16 H TRP 16 -10.365 5.632 0.338 101 HA TRP 16 HA TRP 16 -8.144 5.250 1.868 102 1HB TRP 16 1HB TRP 16 -8.629 7.271 0.592 103 2HB TRP 16 2HB TRP 16 -9.908 7.700 1.710 104 HD1 TRP 16 HD1 TRP 16 -9.061 9.614 3.259 105 HE1 TRP 16 HE1 TRP 16 -6.854 10.316 4.524 106 HE3 TRP 16 HE3 TRP 16 -6.236 5.735 1.577 107 HZ2 TRP 16 HZ2 TRP 16 -4.234 9.196 4.676 108 HZ3 TRP 16 HZ3 TRP 16 -3.863 5.613 2.331 109 HH2 TRP 16 HH2 TRP 16 -2.855 7.263 3.827 110 H SER 17 H SER 17 -11.564 5.744 2.848 111 HA SER 17 HA SER 17 -11.191 6.257 5.492 112 1HB SER 17 1HB SER 17 -13.354 5.205 3.783 113 2HB SER 17 2HB SER 17 -13.460 4.620 5.431 114 HG SER 17 HG SER 17 -13.054 7.417 4.849 115 H GLU 18 H GLU 18 -11.238 3.108 3.735 116 HA GLU 18 HA GLU 18 -11.111 1.565 6.074 117 1HB GLU 18 1HB GLU 18 -11.951 0.485 4.129 118 2HB GLU 18 2HB GLU 18 -10.612 1.022 3.134 119 1HG GLU 18 1HG GLU 18 -9.112 -0.563 4.051 120 2HG GLU 18 2HG GLU 18 -10.047 -0.752 5.521 121 H ILE 19 H ILE 19 -8.657 2.782 3.716 122 HA ILE 19 HA ILE 19 -6.476 1.458 4.858 123 HB ILE 19 HB ILE 19 -6.371 4.102 3.424 124 1HG1 ILE 19 1HG1 ILE 19 -7.847 2.904 2.047 125 2HG1 ILE 19 2HG1 ILE 19 -6.270 2.677 1.318 126 1HG2 ILE 19 1HG2 ILE 19 -4.278 3.171 4.388 127 2HG2 ILE 19 2HG2 ILE 19 -4.492 1.726 3.371 128 3HG2 ILE 19 3HG2 ILE 19 -4.245 3.318 2.614 129 1HD1 ILE 19 1HD1 ILE 19 -6.054 0.463 2.435 130 2HD1 ILE 19 2HD1 ILE 19 -7.651 0.694 3.185 131 3HD1 ILE 19 3HD1 ILE 19 -7.512 0.537 1.418 132 H ARG 20 H ARG 20 -8.140 4.533 5.617 133 HA ARG 20 HA ARG 20 -6.130 5.422 7.352 134 1HB ARG 20 1HB ARG 20 -9.072 6.141 6.992 135 2HB ARG 20 2HB ARG 20 -8.088 6.923 8.213 136 1HG ARG 20 1HG ARG 20 -6.415 7.226 6.095 137 2HG ARG 20 2HG ARG 20 -7.930 7.138 5.218 138 1HD ARG 20 1HD ARG 20 -7.914 8.923 7.630 139 2HD ARG 20 2HD ARG 20 -6.943 9.458 6.273 140 HE ARG 20 HE ARG 20 -9.427 8.669 5.187 141 1HH1 ARG 20 1HH1 ARG 20 -8.244 11.082 7.458 142 2HH1 ARG 20 2HH1 ARG 20 -9.506 12.215 7.109 143 1HH2 ARG 20 1HH2 ARG 20 -11.093 10.163 4.727 144 2HH2 ARG 20 2HH2 ARG 20 -11.138 11.689 5.545 145 H SER 21 H SER 21 -8.895 3.226 7.617 146 HA SER 21 HA SER 21 -9.164 3.384 10.401 147 1HB SER 21 1HB SER 21 -10.501 2.125 8.269 148 2HB SER 21 2HB SER 21 -9.902 0.789 9.232 149 HG SER 21 HG SER 21 -11.135 2.954 10.619 150 H ARG 22 H ARG 22 -7.466 1.085 8.164 151 HA ARG 22 HA ARG 22 -6.580 -0.666 10.039 152 1HB ARG 22 1HB ARG 22 -5.230 0.308 7.474 153 2HB ARG 22 2HB ARG 22 -4.658 -1.076 8.383 154 1HG ARG 22 1HG ARG 22 -7.377 -1.631 8.138 155 2HG ARG 22 2HG ARG 22 -7.031 -0.829 6.618 156 1HD ARG 22 1HD ARG 22 -4.896 -2.460 6.623 157 2HD ARG 22 2HD ARG 22 -5.897 -3.412 7.701 158 HE ARG 22 HE ARG 22 -6.414 -2.868 4.842 159 1HH1 ARG 22 1HH1 ARG 22 -7.659 -4.137 7.878 160 2HH1 ARG 22 2HH1 ARG 22 -8.905 -5.074 7.124 161 1HH2 ARG 22 1HH2 ARG 22 -8.058 -4.104 3.845 162 2HH2 ARG 22 2HH2 ARG 22 -9.133 -5.055 4.814 163 H ALA 23 H ALA 23 -5.236 2.513 9.025 164 HA ALA 23 HA ALA 23 -2.777 2.333 10.309 165 1HB ALA 23 1HB ALA 23 -3.802 5.019 10.400 166 2HB ALA 23 2HB ALA 23 -2.604 4.322 9.284 167 3HB ALA 23 3HB ALA 23 -4.337 4.255 8.884 168 H HIS 24 H HIS 24 -6.035 3.350 11.476 169 HA HIS 24 HA HIS 24 -5.156 4.229 13.976 170 1HB HIS 24 1HB HIS 24 -7.484 4.341 12.605 171 2HB HIS 24 2HB HIS 24 -7.876 3.055 13.730 172 HD1 HIS 24 HD1 HIS 24 -9.277 4.118 15.508 173 HD2 HIS 24 HD2 HIS 24 -5.941 6.459 14.515 174 HE1 HIS 24 HE1 HIS 24 -9.291 6.099 17.115 175 H ASN 25 H ASN 25 -6.346 1.032 12.782 176 HA ASN 25 HA ASN 25 -6.298 -0.179 15.279 177 1HB ASN 25 1HB ASN 25 -7.106 -0.907 12.735 178 2HB ASN 25 2HB ASN 25 -5.654 -1.876 12.894 179 1HD2 ASN 25 1HD2 ASN 25 -8.918 -1.481 13.739 180 2HD2 ASN 25 2HD2 ASN 25 -9.099 -2.811 14.833 181 H LEU 26 H LEU 26 -3.869 0.383 12.703 182 HA LEU 26 HA LEU 26 -1.930 -1.360 13.911 183 1HB LEU 26 1HB LEU 26 -1.793 0.589 11.608 184 2HB LEU 26 2HB LEU 26 -0.455 -0.417 12.128 185 HG LEU 26 HG LEU 26 -3.125 -1.490 11.178 186 1HD1 LEU 26 1HD1 LEU 26 -2.374 -1.625 9.041 187 2HD1 LEU 26 2HD1 LEU 26 -1.457 -0.187 9.550 188 3HD1 LEU 26 3HD1 LEU 26 -0.668 -1.782 9.525 189 1HD2 LEU 26 1HD2 LEU 26 -0.519 -2.811 11.938 190 2HD2 LEU 26 2HD2 LEU 26 -2.154 -3.118 12.570 191 3HD2 LEU 26 3HD2 LEU 26 -1.735 -3.609 10.911 192 H SER 27 H SER 27 -3.114 1.834 14.421 193 HA SER 27 HA SER 27 -2.544 3.329 15.904 194 1HB SER 27 1HB SER 27 -1.601 1.330 17.226 195 2HB SER 27 2HB SER 27 -0.026 1.759 16.586 196 HG SER 27 HG SER 27 -1.734 3.540 18.108 197 H VAL 28 H VAL 28 -1.922 3.677 13.201 198 HA VAL 28 HA VAL 28 0.490 5.313 13.422 199 HB VAL 28 HB VAL 28 1.159 4.578 11.156 200 1HG1 VAL 28 1HG1 VAL 28 1.355 3.073 13.630 201 2HG1 VAL 28 2HG1 VAL 28 1.462 1.996 12.217 202 3HG1 VAL 28 3HG1 VAL 28 2.585 3.368 12.378 203 1HG2 VAL 28 1HG2 VAL 28 0.227 2.619 10.125 204 2HG2 VAL 28 2HG2 VAL 28 -0.826 2.313 11.527 205 3HG2 VAL 28 3HG2 VAL 28 -1.114 3.731 10.491 206 H GLU 29 H GLU 29 0.545 7.056 11.762 207 HA GLU 29 HA GLU 29 -2.171 7.651 10.873 208 1HB GLU 29 1HB GLU 29 -0.670 9.084 12.739 209 2HB GLU 29 2HB GLU 29 -0.397 9.982 11.259 210 1HG GLU 29 1HG GLU 29 -2.519 10.806 11.251 211 2HG GLU 29 2HG GLU 29 -3.217 9.218 11.497 212 H ILE 30 H ILE 30 -2.437 8.335 8.734 213 HA ILE 30 HA ILE 30 -0.022 8.918 7.213 214 HB ILE 30 HB ILE 30 -0.693 7.375 5.433 215 1HG1 ILE 30 1HG1 ILE 30 -2.814 6.512 7.413 216 2HG1 ILE 30 2HG1 ILE 30 -3.055 7.166 5.805 217 1HG2 ILE 30 1HG2 ILE 30 0.439 5.593 6.309 218 2HG2 ILE 30 2HG2 ILE 30 0.848 6.839 7.511 219 3HG2 ILE 30 3HG2 ILE 30 -0.431 5.652 7.860 220 1HD1 ILE 30 1HD1 ILE 30 -2.189 5.197 4.745 221 2HD1 ILE 30 2HD1 ILE 30 -1.482 4.601 6.266 222 3HD1 ILE 30 3HD1 ILE 30 -3.249 4.607 6.048 223 H LYS 31 H LYS 31 -0.700 9.698 4.914 224 HA LYS 31 HA LYS 31 -3.215 11.192 5.191 225 1HB LYS 31 1HB LYS 31 -0.462 12.111 4.545 226 2HB LYS 31 2HB LYS 31 -1.754 12.801 3.584 227 1HG LYS 31 1HG LYS 31 -2.745 12.831 6.239 228 2HG LYS 31 2HG LYS 31 -1.063 13.303 6.390 229 1HD LYS 31 1HD LYS 31 -2.627 14.578 4.161 230 2HD LYS 31 2HD LYS 31 -3.038 15.070 5.792 231 1HE LYS 31 1HE LYS 31 -0.226 15.093 5.799 232 2HE LYS 31 2HE LYS 31 -0.630 15.691 4.203 233 1HZ LYS 31 1HZ LYS 31 -1.733 16.743 6.716 234 2HZ LYS 31 2HZ LYS 31 -0.550 17.446 5.837 235 3HZ LYS 31 3HZ LYS 31 -2.058 17.317 5.223 236 H LYS 32 H LYS 32 -4.050 11.936 2.956 237 HA LYS 32 HA LYS 32 -3.937 9.591 1.242 238 1HB LYS 32 1HB LYS 32 -6.126 10.427 1.986 239 2HB LYS 32 2HB LYS 32 -5.803 11.982 1.246 240 1HG LYS 32 1HG LYS 32 -6.014 11.156 -0.935 241 2HG LYS 32 2HG LYS 32 -5.518 9.535 -0.490 242 1HD LYS 32 1HD LYS 32 -7.659 8.880 -0.056 243 2HD LYS 32 2HD LYS 32 -7.998 10.318 0.888 244 1HE LYS 32 1HE LYS 32 -9.425 10.145 -1.177 245 2HE LYS 32 2HE LYS 32 -8.479 11.619 -1.126 246 1HZ LYS 32 1HZ LYS 32 -6.832 9.926 -2.369 247 2HZ LYS 32 2HZ LYS 32 -8.280 9.411 -2.921 248 3HZ LYS 32 3HZ LYS 32 -7.833 10.967 -3.132 249 H GLY 33 H GLY 33 -2.704 12.845 1.510 250 1HA GLY 33 1HA GLY 33 -2.361 13.370 -1.266 251 2HA GLY 33 2HA GLY 33 -1.589 14.185 0.078 252 HA PRO 34 HA PRO 34 1.992 11.727 -0.377 253 1HB PRO 34 1HB PRO 34 2.539 10.457 1.980 254 2HB PRO 34 2HB PRO 34 2.863 12.158 1.710 255 1HG PRO 34 1HG PRO 34 0.696 10.911 3.287 256 2HG PRO 34 2HG PRO 34 1.288 12.559 3.347 257 1HD PRO 34 1HD PRO 34 -1.124 11.647 2.092 258 2HD PRO 34 2HD PRO 34 -0.473 13.273 2.052 259 H TRP 35 H TRP 35 -0.491 9.730 1.075 260 HA TRP 35 HA TRP 35 0.525 7.261 0.519 261 1HB TRP 35 1HB TRP 35 -1.470 7.537 1.797 262 2HB TRP 35 2HB TRP 35 -2.315 8.277 0.451 263 HD1 TRP 35 HD1 TRP 35 -2.980 6.540 -1.638 264 HE1 TRP 35 HE1 TRP 35 -3.555 3.966 -1.701 265 HE3 TRP 35 HE3 TRP 35 -0.908 5.432 2.871 266 HZ2 TRP 35 HZ2 TRP 35 -3.089 1.803 0.102 267 HZ3 TRP 35 HZ3 TRP 35 -1.011 3.065 3.646 268 HH2 TRP 35 HH2 TRP 35 -2.054 1.281 2.342 269 H ARG 36 H ARG 36 -1.076 9.647 -1.647 270 HA ARG 36 HA ARG 36 -1.107 7.842 -3.820 271 1HB ARG 36 1HB ARG 36 -2.758 9.680 -3.644 272 2HB ARG 36 2HB ARG 36 -1.477 10.876 -3.681 273 1HG ARG 36 1HG ARG 36 -1.131 10.652 -5.962 274 2HG ARG 36 2HG ARG 36 -1.499 8.939 -5.963 275 1HD ARG 36 1HD ARG 36 -3.958 10.030 -5.270 276 2HD ARG 36 2HD ARG 36 -3.320 11.263 -6.339 277 HE ARG 36 HE ARG 36 -4.212 8.615 -7.111 278 1HH1 ARG 36 1HH1 ARG 36 -1.896 11.135 -7.928 279 2HH1 ARG 36 2HH1 ARG 36 -1.765 10.653 -9.587 280 1HH2 ARG 36 1HH2 ARG 36 -4.039 7.979 -9.299 281 2HH2 ARG 36 2HH2 ARG 36 -2.992 8.847 -10.372 282 H THR 37 H THR 37 0.832 10.765 -2.881 283 HA THR 37 HA THR 37 2.476 10.862 -5.111 284 HB THR 37 HB THR 37 2.808 11.655 -2.180 285 HG1 THR 37 HG1 THR 37 1.614 13.280 -3.086 286 1HG2 THR 37 1HG2 THR 37 4.434 13.163 -4.077 287 2HG2 THR 37 2HG2 THR 37 4.947 12.356 -2.576 288 3HG2 THR 37 3HG2 THR 37 4.911 11.449 -4.107 289 H PHE 38 H PHE 38 3.014 9.116 -1.981 290 HA PHE 38 HA PHE 38 5.474 8.069 -2.642 291 1HB PHE 38 1HB PHE 38 3.073 7.165 -0.969 292 2HB PHE 38 2HB PHE 38 4.522 6.181 -1.015 293 HD1 PHE 38 HD1 PHE 38 3.044 7.929 1.239 294 HD2 PHE 38 HD2 PHE 38 6.600 8.334 -1.041 295 HE1 PHE 38 HE1 PHE 38 4.053 9.331 3.061 296 HE2 PHE 38 HE2 PHE 38 7.609 9.736 0.781 297 HZ PHE 38 HZ PHE 38 6.324 10.217 2.810 298 H CYS 39 H CYS 39 2.203 7.096 -3.654 299 HA CYS 39 HA CYS 39 3.357 4.732 -4.924 300 1HB CYS 39 1HB CYS 39 1.296 4.594 -3.368 301 2HB CYS 39 2HB CYS 39 0.403 5.323 -4.688 302 HG CYS 39 HG CYS 39 2.342 2.637 -4.826 303 H ALA 40 H ALA 40 3.365 7.808 -5.638 304 HA ALA 40 HA ALA 40 1.970 7.657 -8.200 305 1HB ALA 40 1HB ALA 40 1.532 9.609 -6.776 306 2HB ALA 40 2HB ALA 40 3.274 9.969 -6.706 307 3HB ALA 40 3HB ALA 40 2.399 10.103 -8.250 308 H SER 41 H SER 41 5.215 8.322 -6.734 309 HA SER 41 HA SER 41 6.479 7.031 -8.878 310 1HB SER 41 1HB SER 41 5.824 9.599 -9.559 311 2HB SER 41 2HB SER 41 7.384 9.879 -8.811 312 HG SER 41 HG SER 41 7.207 7.718 -10.657 313 H GLU 42 H GLU 42 6.407 6.773 -6.031 314 HA GLU 42 HA GLU 42 9.108 7.661 -5.372 315 1HB GLU 42 1HB GLU 42 7.055 8.626 -4.052 316 2HB GLU 42 2HB GLU 42 6.994 7.051 -3.285 317 1HG GLU 42 1HG GLU 42 8.428 8.141 -1.812 318 2HG GLU 42 2HG GLU 42 9.608 7.465 -2.918 319 H TRP 43 H TRP 43 6.579 5.114 -4.895 320 HA TRP 43 HA TRP 43 8.445 3.272 -3.769 321 1HB TRP 43 1HB TRP 43 5.578 3.170 -4.639 322 2HB TRP 43 2HB TRP 43 6.445 1.681 -4.319 323 HD1 TRP 43 HD1 TRP 43 8.022 3.672 -1.841 324 HE1 TRP 43 HE1 TRP 43 6.870 3.692 0.533 325 HE3 TRP 43 HE3 TRP 43 3.532 1.887 -3.425 326 HZ2 TRP 43 HZ2 TRP 43 4.268 2.975 1.461 327 HZ3 TRP 43 HZ3 TRP 43 1.739 1.576 -1.720 328 HH2 TRP 43 HH2 TRP 43 2.051 2.089 0.649 329 HA PRO 44 HA PRO 44 8.186 1.723 -8.260 330 1HB PRO 44 1HB PRO 44 7.202 3.390 -10.189 331 2HB PRO 44 2HB PRO 44 6.237 2.153 -9.408 332 1HG PRO 44 1HG PRO 44 6.190 5.079 -8.989 333 2HG PRO 44 2HG PRO 44 4.979 3.888 -8.556 334 1HD PRO 44 1HD PRO 44 6.842 5.163 -6.786 335 2HD PRO 44 2HD PRO 44 5.711 3.890 -6.376 336 H THR 45 H THR 45 9.506 4.351 -6.967 337 HA THR 45 HA THR 45 11.451 4.559 -9.173 338 HB THR 45 HB THR 45 11.835 6.878 -7.956 339 HG1 THR 45 HG1 THR 45 9.084 6.147 -7.264 340 1HG2 THR 45 1HG2 THR 45 10.716 6.710 -10.201 341 2HG2 THR 45 2HG2 THR 45 9.180 6.331 -9.386 342 3HG2 THR 45 3HG2 THR 45 9.931 7.929 -9.168 343 H PHE 46 H PHE 46 11.206 2.612 -6.820 344 HA PHE 46 HA PHE 46 13.617 3.390 -5.372 345 1HB PHE 46 1HB PHE 46 11.335 1.376 -5.068 346 2HB PHE 46 2HB PHE 46 12.807 1.148 -4.144 347 HD1 PHE 46 HD1 PHE 46 10.916 1.301 -2.317 348 HD2 PHE 46 HD2 PHE 46 12.309 4.595 -4.602 349 HE1 PHE 46 HE1 PHE 46 10.061 2.880 -0.563 350 HE2 PHE 46 HE2 PHE 46 11.453 6.173 -2.848 351 HZ PHE 46 HZ PHE 46 10.339 5.297 -0.850 352 H ASP 47 H ASP 47 12.480 1.362 -7.965 353 HA ASP 47 HA ASP 47 13.616 0.097 -9.339 354 1HB ASP 47 1HB ASP 47 15.689 1.468 -8.307 355 2HB ASP 47 2HB ASP 47 16.062 -0.082 -7.578 356 H VAL 48 H VAL 48 12.168 -1.660 -8.705 357 HA VAL 48 HA VAL 48 13.506 -3.853 -7.470 358 HB VAL 48 HB VAL 48 11.552 -4.081 -5.777 359 1HG1 VAL 48 1HG1 VAL 48 12.977 -3.392 -4.097 360 2HG1 VAL 48 2HG1 VAL 48 14.115 -3.546 -5.457 361 3HG1 VAL 48 3HG1 VAL 48 13.503 -1.942 -4.984 362 1HG2 VAL 48 1HG2 VAL 48 10.898 -1.810 -4.849 363 2HG2 VAL 48 2HG2 VAL 48 11.512 -1.109 -6.366 364 3HG2 VAL 48 3HG2 VAL 48 10.155 -2.260 -6.402 365 H GLY 49 H GLY 49 10.415 -2.343 -8.566 366 1HA GLY 49 1HA GLY 49 9.690 -3.539 -10.694 367 2HA GLY 49 2HA GLY 49 9.613 -4.959 -9.669 368 H TRP 50 H TRP 50 8.775 -1.549 -8.803 369 HA TRP 50 HA TRP 50 6.082 -2.519 -8.164 370 1HB TRP 50 1HB TRP 50 7.237 -1.661 -6.253 371 2HB TRP 50 2HB TRP 50 7.706 -0.204 -7.107 372 HD1 TRP 50 HD1 TRP 50 5.609 1.576 -7.657 373 HE1 TRP 50 HE1 TRP 50 3.374 2.135 -6.371 374 HE3 TRP 50 HE3 TRP 50 5.524 -2.684 -4.881 375 HZ2 TRP 50 HZ2 TRP 50 1.855 0.764 -4.381 376 HZ3 TRP 50 HZ3 TRP 50 3.629 -2.995 -3.291 377 HH2 TRP 50 HH2 TRP 50 1.837 -1.357 -3.017 378 HA PRO 51 HA PRO 51 4.850 -0.127 -11.610 379 1HB PRO 51 1HB PRO 51 2.158 -0.567 -11.438 380 2HB PRO 51 2HB PRO 51 3.263 -1.680 -12.220 381 1HG PRO 51 1HG PRO 51 1.941 -1.923 -9.587 382 2HG PRO 51 2HG PRO 51 2.690 -3.174 -10.559 383 1HD PRO 51 1HD PRO 51 3.793 -1.925 -8.224 384 2HD PRO 51 2HD PRO 51 4.587 -3.092 -9.263 385 HA PRO 52 HA PRO 52 3.550 3.673 -10.238 386 1HB PRO 52 1HB PRO 52 2.119 4.722 -12.316 387 2HB PRO 52 2HB PRO 52 3.871 4.694 -12.276 388 1HG PRO 52 1HG PRO 52 2.026 2.997 -13.842 389 2HG PRO 52 2HG PRO 52 3.737 3.280 -14.093 390 1HD PRO 52 1HD PRO 52 2.535 0.943 -12.945 391 2HD PRO 52 2HD PRO 52 4.249 1.276 -13.090 392 H GLU 53 H GLU 53 1.005 1.635 -11.438 393 HA GLU 53 HA GLU 53 -0.960 3.173 -10.053 394 1HB GLU 53 1HB GLU 53 -0.984 0.632 -11.701 395 2HB GLU 53 2HB GLU 53 -2.388 1.061 -10.743 396 1HG GLU 53 1HG GLU 53 -1.075 2.876 -12.823 397 2HG GLU 53 2HG GLU 53 -2.521 1.925 -13.097 398 H GLY 54 H GLY 54 1.173 0.451 -9.414 399 1HA GLY 54 1HA GLY 54 1.602 -0.119 -7.142 400 2HA GLY 54 2HA GLY 54 -0.087 0.150 -6.763 401 H THR 55 H THR 55 0.809 -2.210 -5.882 402 HA THR 55 HA THR 55 -0.646 -4.088 -7.503 403 HB THR 55 HB THR 55 1.708 -4.009 -8.505 404 HG1 THR 55 HG1 THR 55 1.579 -6.294 -8.606 405 1HG2 THR 55 1HG2 THR 55 3.404 -5.356 -7.148 406 2HG2 THR 55 2HG2 THR 55 3.106 -3.720 -6.513 407 3HG2 THR 55 3HG2 THR 55 2.352 -5.130 -5.730 408 H PHE 56 H PHE 56 -1.373 -5.882 -6.338 409 HA PHE 56 HA PHE 56 -1.042 -5.532 -3.464 410 1HB PHE 56 1HB PHE 56 -2.960 -7.041 -5.330 411 2HB PHE 56 2HB PHE 56 -3.023 -7.254 -3.591 412 HD1 PHE 56 HD1 PHE 56 -2.904 -4.745 -2.374 413 HD2 PHE 56 HD2 PHE 56 -4.634 -5.692 -6.131 414 HE1 PHE 56 HE1 PHE 56 -4.411 -2.746 -2.184 415 HE2 PHE 56 HE2 PHE 56 -6.141 -3.694 -5.941 416 HZ PHE 56 HZ PHE 56 -6.012 -2.245 -3.969 417 H ASP 57 H ASP 57 1.271 -6.554 -4.593 418 HA ASP 57 HA ASP 57 1.023 -9.409 -4.069 419 1HB ASP 57 1HB ASP 57 1.915 -8.614 -6.336 420 2HB ASP 57 2HB ASP 57 3.293 -7.941 -5.488 421 H LEU 58 H LEU 58 1.594 -9.742 -1.902 422 HA LEU 58 HA LEU 58 2.937 -8.043 -0.274 423 1HB LEU 58 1HB LEU 58 1.680 -10.200 0.232 424 2HB LEU 58 2HB LEU 58 3.182 -11.041 -0.100 425 HG LEU 58 HG LEU 58 4.183 -9.392 1.687 426 1HD1 LEU 58 1HD1 LEU 58 2.064 -8.056 1.819 427 2HD1 LEU 58 2HD1 LEU 58 1.301 -9.457 2.607 428 3HD1 LEU 58 3HD1 LEU 58 2.681 -8.644 3.382 429 1HD2 LEU 58 1HD2 LEU 58 3.867 -11.044 3.383 430 2HD2 LEU 58 2HD2 LEU 58 2.395 -11.660 2.594 431 3HD2 LEU 58 3HD2 LEU 58 3.981 -11.884 1.818 432 H THR 59 H THR 59 4.304 -10.483 -2.537 433 HA THR 59 HA THR 59 6.948 -10.342 -1.711 434 HB THR 59 HB THR 59 5.619 -10.837 -4.423 435 HG1 THR 59 HG1 THR 59 5.588 -12.903 -3.543 436 1HG2 THR 59 1HG2 THR 59 7.663 -11.701 -5.248 437 2HG2 THR 59 2HG2 THR 59 8.217 -10.246 -4.385 438 3HG2 THR 59 3HG2 THR 59 8.366 -11.847 -3.620 439 H VAL 60 H VAL 60 5.187 -8.287 -4.110 440 HA VAL 60 HA VAL 60 7.489 -6.729 -4.660 441 HB VAL 60 HB VAL 60 4.535 -6.291 -5.129 442 1HG1 VAL 60 1HG1 VAL 60 4.936 -4.253 -5.954 443 2HG1 VAL 60 2HG1 VAL 60 6.554 -4.354 -5.220 444 3HG1 VAL 60 3HG1 VAL 60 6.314 -4.842 -6.915 445 1HG2 VAL 60 1HG2 VAL 60 4.772 -7.753 -6.794 446 2HG2 VAL 60 2HG2 VAL 60 5.999 -6.696 -7.533 447 3HG2 VAL 60 3HG2 VAL 60 6.492 -7.969 -6.390 448 H ILE 61 H ILE 61 4.839 -6.623 -2.276 449 HA ILE 61 HA ILE 61 5.272 -3.963 -1.466 450 HB ILE 61 HB ILE 61 3.908 -6.360 -0.287 451 1HG1 ILE 61 1HG1 ILE 61 2.802 -3.661 -1.100 452 2HG1 ILE 61 2HG1 ILE 61 2.931 -5.018 -2.202 453 1HG2 ILE 61 1HG2 ILE 61 4.057 -3.640 1.038 454 2HG2 ILE 61 2HG2 ILE 61 3.173 -5.076 1.610 455 3HG2 ILE 61 3HG2 ILE 61 4.953 -5.083 1.573 456 1HD1 ILE 61 1HD1 ILE 61 1.417 -6.362 -0.904 457 2HD1 ILE 61 2HD1 ILE 61 1.512 -5.250 0.482 458 3HD1 ILE 61 3HD1 ILE 61 0.675 -4.747 -1.006 459 H PHE 62 H PHE 62 6.386 -7.145 -0.120 460 HA PHE 62 HA PHE 62 7.847 -6.131 1.974 461 1HB PHE 62 1HB PHE 62 7.476 -8.578 0.435 462 2HB PHE 62 2HB PHE 62 9.199 -8.372 0.682 463 HD1 PHE 62 HD1 PHE 62 5.970 -8.861 2.364 464 HD2 PHE 62 HD2 PHE 62 10.176 -8.600 2.869 465 HE1 PHE 62 HE1 PHE 62 5.750 -9.801 4.681 466 HE2 PHE 62 HE2 PHE 62 9.956 -9.540 5.186 467 HZ PHE 62 HZ PHE 62 7.746 -10.129 6.064 468 H GLU 63 H GLU 63 8.521 -6.070 -1.490 469 HA GLU 63 HA GLU 63 11.303 -5.768 -1.226 470 1HB GLU 63 1HB GLU 63 9.323 -5.220 -3.463 471 2HB GLU 63 2HB GLU 63 11.025 -4.845 -3.646 472 1HG GLU 63 1HG GLU 63 10.185 -7.597 -2.686 473 2HG GLU 63 2HG GLU 63 10.120 -7.215 -4.395 474 H VAL 64 H VAL 64 8.576 -3.445 -1.826 475 HA VAL 64 HA VAL 64 10.292 -1.184 -1.702 476 HB VAL 64 HB VAL 64 7.340 -1.687 -1.814 477 1HG1 VAL 64 1HG1 VAL 64 6.912 0.186 -0.660 478 2HG1 VAL 64 2HG1 VAL 64 8.622 0.678 -0.662 479 3HG1 VAL 64 3HG1 VAL 64 7.583 1.067 -2.054 480 1HG2 VAL 64 1HG2 VAL 64 8.606 -1.793 -3.894 481 2HG2 VAL 64 2HG2 VAL 64 7.542 -0.366 -3.896 482 3HG2 VAL 64 3HG2 VAL 64 9.286 -0.176 -3.591 483 H LYS 65 H LYS 65 8.249 -3.016 0.600 484 HA LYS 65 HA LYS 65 8.299 -1.138 2.664 485 1HB LYS 65 1HB LYS 65 6.720 -2.725 3.059 486 2HB LYS 65 2HB LYS 65 7.665 -4.020 2.353 487 1HG LYS 65 1HG LYS 65 9.206 -3.900 4.386 488 2HG LYS 65 2HG LYS 65 8.088 -2.754 5.099 489 1HD LYS 65 1HD LYS 65 7.225 -5.520 4.145 490 2HD LYS 65 2HD LYS 65 7.771 -5.213 5.782 491 1HE LYS 65 1HE LYS 65 5.873 -3.983 6.344 492 2HE LYS 65 2HE LYS 65 5.646 -3.375 4.716 493 1HZ LYS 65 1HZ LYS 65 4.018 -5.061 5.439 494 2HZ LYS 65 2HZ LYS 65 4.782 -5.448 4.049 495 3HZ LYS 65 3HZ LYS 65 5.204 -6.184 5.444 496 H ALA 66 H ALA 66 10.433 -4.001 2.006 497 HA ALA 66 HA ALA 66 12.112 -3.667 4.165 498 1HB ALA 66 1HB ALA 66 12.404 -5.665 3.032 499 2HB ALA 66 2HB ALA 66 12.310 -4.895 1.430 500 3HB ALA 66 3HB ALA 66 13.792 -4.744 2.404 501 H ILE 67 H ILE 67 11.937 -1.936 1.050 502 HA ILE 67 HA ILE 67 14.467 -0.719 1.240 503 HB ILE 67 HB ILE 67 11.948 -0.133 -0.291 504 1HG1 ILE 67 1HG1 ILE 67 14.651 -0.874 -1.397 505 2HG1 ILE 67 2HG1 ILE 67 13.581 -2.107 -0.759 506 1HG2 ILE 67 1HG2 ILE 67 14.440 1.530 -0.073 507 2HG2 ILE 67 2HG2 ILE 67 13.536 1.457 -1.604 508 3HG2 ILE 67 3HG2 ILE 67 12.734 2.035 -0.124 509 1HD1 ILE 67 1HD1 ILE 67 11.998 -0.377 -2.429 510 2HD1 ILE 67 2HD1 ILE 67 13.472 -0.816 -3.325 511 3HD1 ILE 67 3HD1 ILE 67 12.405 -2.091 -2.689 512 H VAL 68 H VAL 68 11.128 0.414 2.100 513 HA VAL 68 HA VAL 68 12.062 2.852 3.177 514 HB VAL 68 HB VAL 68 9.850 3.254 3.704 515 1HG1 VAL 68 1HG1 VAL 68 8.925 1.305 1.740 516 2HG1 VAL 68 2HG1 VAL 68 8.996 3.080 1.643 517 3HG1 VAL 68 3HG1 VAL 68 10.429 2.109 1.229 518 1HG2 VAL 68 1HG2 VAL 68 8.195 1.668 4.328 519 2HG2 VAL 68 2HG2 VAL 68 9.174 0.302 3.743 520 3HG2 VAL 68 3HG2 VAL 68 9.677 1.200 5.195 521 H PHE 69 H PHE 69 11.516 -0.440 4.459 522 HA PHE 69 HA PHE 69 11.941 0.447 7.166 523 1HB PHE 69 1HB PHE 69 11.352 -2.098 5.614 524 2HB PHE 69 2HB PHE 69 12.041 -2.288 7.214 525 HD1 PHE 69 HD1 PHE 69 10.716 -1.996 9.156 526 HD2 PHE 69 HD2 PHE 69 9.157 -0.900 5.364 527 HE1 PHE 69 HE1 PHE 69 8.434 -1.739 10.169 528 HE2 PHE 69 HE2 PHE 69 6.875 -0.643 6.377 529 HZ PHE 69 HZ PHE 69 6.540 -1.065 8.767 530 H GLN 70 H GLN 70 14.019 0.360 4.687 531 HA GLN 70 HA GLN 70 16.009 -1.391 5.516 532 1HB GLN 70 1HB GLN 70 17.361 -0.365 3.860 533 2HB GLN 70 2HB GLN 70 15.728 -0.184 3.252 534 1HG GLN 70 1HG GLN 70 15.633 2.137 4.163 535 2HG GLN 70 2HG GLN 70 17.252 1.958 4.810 536 1HE2 GLN 70 1HE2 GLN 70 15.310 2.023 1.877 537 2HE2 GLN 70 2HE2 GLN 70 16.558 2.497 0.774 538 H ASP 71 H ASP 71 18.399 -0.007 5.778 539 HA ASP 71 HA ASP 71 17.930 1.397 8.287 540 1HB ASP 71 1HB ASP 71 19.236 -0.518 8.784 541 2HB ASP 71 2HB ASP 71 20.137 -0.414 7.284 542 H GLY 72 H GLY 72 19.232 3.355 8.672 543 1HA GLY 72 1HA GLY 72 20.917 4.880 8.010 544 2HA GLY 72 2HA GLY 72 20.743 4.354 6.348 545 HA PRO 73 HA PRO 73 18.197 8.103 6.919 546 1HB PRO 73 1HB PRO 73 19.479 9.741 5.147 547 2HB PRO 73 2HB PRO 73 19.816 9.740 6.866 548 1HG PRO 73 1HG PRO 73 21.426 8.606 4.662 549 2HG PRO 73 2HG PRO 73 21.922 8.993 6.297 550 1HD PRO 73 1HD PRO 73 21.367 6.383 5.245 551 2HD PRO 73 2HD PRO 73 21.750 6.783 6.907 552 H GLY 74 H GLY 74 18.889 5.869 4.611 553 1HA GLY 74 1HA GLY 74 17.309 7.020 2.491 554 2HA GLY 74 2HA GLY 74 18.018 5.419 2.557 555 H SER 75 H SER 75 16.751 5.141 5.414 556 HA SER 75 HA SER 75 14.513 3.741 4.541 557 1HB SER 75 1HB SER 75 13.999 3.701 7.087 558 2HB SER 75 2HB SER 75 15.489 2.960 6.540 559 HG SER 75 HG SER 75 15.464 4.597 8.453 560 H HIS 76 H HIS 76 12.235 4.188 4.821 561 HA HIS 76 HA HIS 76 11.685 7.029 5.288 562 1HB HIS 76 1HB HIS 76 9.866 5.374 3.593 563 2HB HIS 76 2HB HIS 76 10.201 7.093 3.533 564 HD1 HIS 76 HD1 HIS 76 12.700 7.728 2.547 565 HD2 HIS 76 HD2 HIS 76 11.222 3.890 1.723 566 HE1 HIS 76 HE1 HIS 76 14.073 6.839 0.590 567 HA PRO 77 HA PRO 77 9.446 4.946 8.510 568 1HB PRO 77 1HB PRO 77 9.583 6.974 10.337 569 2HB PRO 77 2HB PRO 77 10.789 5.708 10.219 570 1HG PRO 77 1HG PRO 77 10.964 8.523 9.333 571 2HG PRO 77 2HG PRO 77 12.260 7.378 9.615 572 1HD PRO 77 1HD PRO 77 11.220 8.201 7.072 573 2HD PRO 77 2HD PRO 77 12.435 6.972 7.359 574 H ASP 78 H ASP 78 8.841 7.626 6.619 575 HA ASP 78 HA ASP 78 6.365 8.249 7.870 576 1HB ASP 78 1HB ASP 78 8.051 9.642 6.250 577 2HB ASP 78 2HB ASP 78 6.943 9.048 5.030 578 H GLN 79 H GLN 79 7.622 6.343 5.100 579 HA GLN 79 HA GLN 79 4.956 5.784 4.182 580 1HB GLN 79 1HB GLN 79 7.637 4.728 3.180 581 2HB GLN 79 2HB GLN 79 6.096 4.544 2.366 582 1HG GLN 79 1HG GLN 79 5.932 6.873 1.873 583 2HG GLN 79 2HG GLN 79 7.114 7.311 3.091 584 1HE2 GLN 79 1HE2 GLN 79 8.699 8.239 2.011 585 2HE2 GLN 79 2HE2 GLN 79 9.582 7.562 0.684 586 H GLN 80 H GLN 80 7.258 4.528 6.433 587 HA GLN 80 HA GLN 80 7.009 1.849 6.223 588 1HB GLN 80 1HB GLN 80 7.396 3.745 8.525 589 2HB GLN 80 2HB GLN 80 7.072 2.066 8.911 590 1HG GLN 80 1HG GLN 80 8.953 1.703 6.971 591 2HG GLN 80 2HG GLN 80 9.456 3.280 7.549 592 1HE2 GLN 80 1HE2 GLN 80 11.223 2.853 8.678 593 2HE2 GLN 80 2HE2 GLN 80 11.340 1.787 10.038 594 HA PRO 81 HA PRO 81 2.923 2.161 8.630 595 1HB PRO 81 1HB PRO 81 1.684 4.586 8.868 596 2HB PRO 81 2HB PRO 81 2.710 3.907 10.116 597 1HG PRO 81 1HG PRO 81 3.302 6.093 8.217 598 2HG PRO 81 2HG PRO 81 4.116 5.690 9.715 599 1HD PRO 81 1HD PRO 81 5.041 5.136 7.057 600 2HD PRO 81 2HD PRO 81 5.796 4.632 8.555 601 H TYR 82 H TYR 82 3.453 4.036 5.806 602 HA TYR 82 HA TYR 82 0.777 3.775 4.851 603 1HB TYR 82 1HB TYR 82 3.554 4.480 3.743 604 2HB TYR 82 2HB TYR 82 2.157 4.451 2.684 605 HD1 TYR 82 HD1 TYR 82 2.830 5.815 6.126 606 HD2 TYR 82 HD2 TYR 82 1.393 6.571 2.168 607 HE1 TYR 82 HE1 TYR 82 2.281 8.211 6.775 608 HE2 TYR 82 HE2 TYR 82 0.848 8.964 2.831 609 HH TYR 82 HH TYR 82 1.854 10.253 5.918 610 H ILE 83 H ILE 83 3.947 2.172 4.106 611 HA ILE 83 HA ILE 83 2.776 0.417 2.214 612 HB ILE 83 HB ILE 83 5.094 1.085 2.098 613 1HG1 ILE 83 1HG1 ILE 83 6.079 -1.063 1.623 614 2HG1 ILE 83 2HG1 ILE 83 4.945 -1.885 2.677 615 1HG2 ILE 83 1HG2 ILE 83 6.138 1.381 4.058 616 2HG2 ILE 83 2HG2 ILE 83 5.130 0.176 4.895 617 3HG2 ILE 83 3HG2 ILE 83 6.528 -0.351 3.928 618 1HD1 ILE 83 1HD1 ILE 83 3.698 -0.189 0.560 619 2HD1 ILE 83 2HD1 ILE 83 4.582 -1.621 -0.018 620 3HD1 ILE 83 3HD1 ILE 83 3.241 -1.810 1.136 621 H THR 84 H THR 84 3.383 0.347 5.732 622 HA THR 84 HA THR 84 3.092 -2.363 6.191 623 HB THR 84 HB THR 84 2.498 0.178 7.760 624 HG1 THR 84 HG1 THR 84 4.709 -0.545 7.361 625 1HG2 THR 84 1HG2 THR 84 1.333 -1.025 9.317 626 2HG2 THR 84 2HG2 THR 84 1.537 -2.519 8.372 627 3HG2 THR 84 3HG2 THR 84 2.787 -2.027 9.539 628 H VAL 85 H VAL 85 0.573 0.162 5.722 629 HA VAL 85 HA VAL 85 -1.575 -1.529 6.364 630 HB VAL 85 HB VAL 85 -1.283 1.020 4.784 631 1HG1 VAL 85 1HG1 VAL 85 -3.884 1.068 5.151 632 2HG1 VAL 85 2HG1 VAL 85 -3.191 0.216 3.750 633 3HG1 VAL 85 3HG1 VAL 85 -3.712 -0.703 5.183 634 1HG2 VAL 85 1HG2 VAL 85 -1.810 2.119 6.705 635 2HG2 VAL 85 2HG2 VAL 85 -2.893 0.829 7.280 636 3HG2 VAL 85 3HG2 VAL 85 -1.130 0.652 7.447 637 H TRP 86 H TRP 86 0.133 -0.738 3.287 638 HA TRP 86 HA TRP 86 -1.551 -1.975 1.517 639 1HB TRP 86 1HB TRP 86 1.366 -1.389 1.600 640 2HB TRP 86 2HB TRP 86 0.800 -2.504 0.373 641 HD1 TRP 86 HD1 TRP 86 0.130 1.163 1.510 642 HE1 TRP 86 HE1 TRP 86 -0.682 2.634 -0.524 643 HE3 TRP 86 HE3 TRP 86 -0.120 -2.660 -1.833 644 HZ2 TRP 86 HZ2 TRP 86 -1.323 2.047 -3.243 645 HZ3 TRP 86 HZ3 TRP 86 -0.848 -2.125 -4.157 646 HH2 TRP 86 HH2 TRP 86 -1.438 0.133 -4.881 647 H GLN 87 H GLN 87 1.173 -3.374 3.468 648 HA GLN 87 HA GLN 87 1.015 -5.920 2.506 649 1HB GLN 87 1HB GLN 87 2.864 -5.331 3.895 650 2HB GLN 87 2HB GLN 87 1.829 -4.791 5.203 651 1HG GLN 87 1HG GLN 87 1.354 -7.616 4.458 652 2HG GLN 87 2HG GLN 87 2.999 -7.322 4.983 653 1HE2 GLN 87 1HE2 GLN 87 2.035 -8.859 6.645 654 2HE2 GLN 87 2HE2 GLN 87 1.372 -8.153 8.081 655 H ASP 88 H ASP 88 -1.075 -4.212 4.819 656 HA ASP 88 HA ASP 88 -2.278 -6.558 5.813 657 1HB ASP 88 1HB ASP 88 -2.246 -3.885 6.527 658 2HB ASP 88 2HB ASP 88 -3.849 -4.022 5.833 659 H LEU 89 H LEU 89 -2.712 -4.363 3.051 660 HA LEU 89 HA LEU 89 -5.388 -5.027 2.467 661 1HB LEU 89 1HB LEU 89 -3.168 -3.549 1.217 662 2HB LEU 89 2HB LEU 89 -4.307 -4.254 0.087 663 HG LEU 89 HG LEU 89 -5.200 -2.160 0.401 664 1HD1 LEU 89 1HD1 LEU 89 -6.609 -3.483 2.712 665 2HD1 LEU 89 2HD1 LEU 89 -7.267 -2.411 1.453 666 3HD1 LEU 89 3HD1 LEU 89 -6.792 -4.077 1.044 667 1HD2 LEU 89 1HD2 LEU 89 -3.597 -2.096 2.697 668 2HD2 LEU 89 2HD2 LEU 89 -4.550 -0.764 2.000 669 3HD2 LEU 89 3HD2 LEU 89 -5.254 -1.793 3.270 670 H VAL 90 H VAL 90 -2.213 -6.195 1.153 671 HA VAL 90 HA VAL 90 -3.391 -8.103 -0.539 672 HB VAL 90 HB VAL 90 -1.124 -8.989 -0.708 673 1HG1 VAL 90 1HG1 VAL 90 -0.841 -5.987 -0.616 674 2HG1 VAL 90 2HG1 VAL 90 -0.181 -7.146 -1.794 675 3HG1 VAL 90 3HG1 VAL 90 -1.921 -6.771 -1.793 676 1HG2 VAL 90 1HG2 VAL 90 0.198 -7.018 0.994 677 2HG2 VAL 90 2HG2 VAL 90 -0.833 -8.131 1.925 678 3HG2 VAL 90 3HG2 VAL 90 0.449 -8.776 0.871 679 H GLN 91 H GLN 91 -2.469 -8.074 2.904 680 HA GLN 91 HA GLN 91 -2.597 -10.863 3.199 681 1HB GLN 91 1HB GLN 91 -2.629 -8.515 5.116 682 2HB GLN 91 2HB GLN 91 -2.871 -10.146 5.710 683 1HG GLN 91 1HG GLN 91 -0.566 -9.817 3.839 684 2HG GLN 91 2HG GLN 91 -0.403 -8.975 5.367 685 1HE2 GLN 91 1HE2 GLN 91 -1.116 -12.096 3.880 686 2HE2 GLN 91 2HE2 GLN 91 -0.547 -13.104 5.168 687 H ASN 92 H ASN 92 -4.812 -8.302 4.544 688 HA ASN 92 HA ASN 92 -6.874 -10.280 4.717 689 1HB ASN 92 1HB ASN 92 -6.684 -7.328 5.483 690 2HB ASN 92 2HB ASN 92 -8.191 -8.213 5.617 691 1HD2 ASN 92 1HD2 ASN 92 -5.636 -7.168 7.298 692 2HD2 ASN 92 2HD2 ASN 92 -5.530 -8.343 8.566 693 H SER 93 H SER 93 -6.423 -10.200 2.084 694 HA SER 93 HA SER 93 -7.128 -8.268 0.454 695 1HB SER 93 1HB SER 93 -7.626 -9.908 -1.171 696 2HB SER 93 2HB SER 93 -6.593 -10.757 -0.037 697 HG SER 93 HG SER 93 -8.214 -12.061 0.518 698 HA PRO 94 HA PRO 94 -11.236 -7.331 1.780 699 1HB PRO 94 1HB PRO 94 -11.458 -4.930 0.495 700 2HB PRO 94 2HB PRO 94 -10.760 -5.100 2.093 701 1HG PRO 94 1HG PRO 94 -9.393 -4.641 -0.487 702 2HG PRO 94 2HG PRO 94 -8.783 -4.395 1.137 703 1HD PRO 94 1HD PRO 94 -8.156 -6.575 -0.619 704 2HD PRO 94 2HD PRO 94 -7.640 -6.387 1.045 705 HA PRO 95 HA PRO 95 -13.744 -8.446 -1.456 706 1HB PRO 95 1HB PRO 95 -16.115 -7.175 -0.973 707 2HB PRO 95 2HB PRO 95 -15.622 -8.635 -0.138 708 1HG PRO 95 1HG PRO 95 -15.664 -5.852 0.860 709 2HG PRO 95 2HG PRO 95 -15.590 -7.345 1.774 710 1HD PRO 95 1HD PRO 95 -13.418 -5.548 1.247 711 2HD PRO 95 2HD PRO 95 -13.323 -7.096 2.061 712 H TRP 96 H TRP 96 -13.216 -5.086 -0.996 713 HA TRP 96 HA TRP 96 -14.308 -4.394 -3.560 714 1HB TRP 96 1HB TRP 96 -13.152 -2.179 -2.990 715 2HB TRP 96 2HB TRP 96 -14.531 -2.685 -2.034 716 HD1 TRP 96 HD1 TRP 96 -13.950 -3.596 0.527 717 HE1 TRP 96 HE1 TRP 96 -11.995 -3.075 2.221 718 HE3 TRP 96 HE3 TRP 96 -10.761 -1.667 -2.932 719 HZ2 TRP 96 HZ2 TRP 96 -9.393 -1.939 1.930 720 HZ3 TRP 96 HZ3 TRP 96 -8.533 -0.874 -2.144 721 HH2 TRP 96 HH2 TRP 96 -7.831 -0.987 0.194 722 H ILE 97 H ILE 97 -11.593 -6.083 -2.503 723 HA ILE 97 HA ILE 97 -9.998 -5.107 -4.769 724 HB ILE 97 HB ILE 97 -9.261 -6.086 -2.042 725 1HG1 ILE 97 1HG1 ILE 97 -8.213 -3.828 -3.776 726 2HG1 ILE 97 2HG1 ILE 97 -9.444 -3.660 -2.539 727 1HG2 ILE 97 1HG2 ILE 97 -8.103 -7.586 -3.634 728 2HG2 ILE 97 2HG2 ILE 97 -7.386 -6.160 -4.421 729 3HG2 ILE 97 3HG2 ILE 97 -6.989 -6.534 -2.727 730 1HD1 ILE 97 1HD1 ILE 97 -7.861 -3.505 -0.931 731 2HD1 ILE 97 2HD1 ILE 97 -7.181 -5.079 -1.410 732 3HD1 ILE 97 3HD1 ILE 97 -6.613 -3.587 -2.197 733 H LYS 98 H LYS 98 -10.236 -8.130 -2.765 734 HA LYS 98 HA LYS 98 -10.631 -10.229 -3.357 735 1HB LYS 98 1HB LYS 98 -12.180 -10.604 -4.925 736 2HB LYS 98 2HB LYS 98 -12.200 -8.866 -5.149 737 1HG LYS 98 1HG LYS 98 -11.816 -9.591 -7.341 738 2HG LYS 98 2HG LYS 98 -10.176 -9.303 -6.795 739 1HD LYS 98 1HD LYS 98 -9.722 -11.450 -7.382 740 2HD LYS 98 2HD LYS 98 -10.647 -11.940 -5.977 741 1HE LYS 98 1HE LYS 98 -12.735 -11.630 -7.612 742 2HE LYS 98 2HE LYS 98 -11.527 -11.803 -8.870 743 1HZ LYS 98 1HZ LYS 98 -12.705 -13.837 -7.661 744 2HZ LYS 98 2HZ LYS 98 -11.239 -13.942 -8.373 745 3HZ LYS 98 3HZ LYS 98 -11.348 -13.733 -6.757 746 H SER 99 H SER 99 -9.235 -11.901 -3.894 747 HA SER 99 HA SER 99 -7.015 -11.096 -5.606 748 1HB SER 99 1HB SER 99 -6.992 -12.649 -2.992 749 2HB SER 99 2HB SER 99 -5.654 -12.739 -4.121 750 HG SER 99 HG SER 99 -6.233 -10.778 -2.302 751 H GLY 100 H GLY 100 -6.588 -12.486 -7.308 752 1HA GLY 100 1HA GLY 100 -8.369 -14.602 -7.878 753 2HA GLY 100 2HA GLY 100 -6.897 -14.196 -8.737 754 HA PRO 101 HA PRO 101 -6.266 -17.689 -5.577 755 1HB PRO 101 1HB PRO 101 -8.030 -19.724 -6.041 756 2HB PRO 101 2HB PRO 101 -8.233 -18.555 -4.751 757 1HG PRO 101 1HG PRO 101 -9.673 -18.742 -7.327 758 2HG PRO 101 2HG PRO 101 -10.131 -17.876 -5.874 759 1HD PRO 101 1HD PRO 101 -9.035 -16.746 -8.272 760 2HD PRO 101 2HD PRO 101 -9.384 -15.899 -6.778 761 H SER 102 H SER 102 -4.362 -17.686 -6.819 762 HA SER 102 HA SER 102 -4.431 -19.938 -8.654 763 1HB SER 102 1HB SER 102 -2.979 -18.713 -10.245 764 2HB SER 102 2HB SER 102 -4.523 -17.911 -10.044 765 HG SER 102 HG SER 102 -1.961 -17.004 -9.441 766 H SER 103 H SER 103 -2.516 -21.219 -8.633 767 HA SER 103 HA SER 103 -0.153 -20.289 -7.455 768 1HB SER 103 1HB SER 103 -2.068 -21.858 -5.739 769 2HB SER 103 2HB SER 103 -0.358 -22.209 -5.585 770 HG SER 103 HG SER 103 -1.224 -19.477 -5.530 771 H GLY 104 H GLY 104 1.510 -22.134 -7.329 772 1HA GLY 104 1HA GLY 104 2.578 -23.771 -8.449 773 2HA GLY 104 2HA GLY 104 1.139 -24.716 -8.120 Start of MODEL 20 1 1H GLY 0 1H GLY 0 -10.319 -13.315 -11.870 2 1HA GLY 0 1HA GLY 0 -11.360 -13.543 -14.305 3 2HA GLY 0 2HA GLY 0 -12.284 -12.184 -13.697 4 H SER 1 H SER 1 -10.407 -12.084 -15.913 5 HA SER 1 HA SER 1 -8.483 -10.251 -14.718 6 1HB SER 1 1HB SER 1 -8.013 -12.589 -16.466 7 2HB SER 1 2HB SER 1 -7.264 -11.125 -17.072 8 HG SER 1 HG SER 1 -6.917 -11.500 -14.312 9 H SER 2 H SER 2 -9.934 -11.331 -17.883 10 HA SER 2 HA SER 2 -9.537 -8.898 -19.139 11 1HB SER 2 1HB SER 2 -10.348 -11.369 -19.939 12 2HB SER 2 2HB SER 2 -11.902 -10.559 -19.933 13 HG SER 2 HG SER 2 -10.541 -8.796 -21.174 14 H GLY 3 H GLY 3 -10.582 -6.945 -18.938 15 1HA GLY 3 1HA GLY 3 -12.067 -5.402 -18.258 16 2HA GLY 3 2HA GLY 3 -13.309 -6.570 -18.662 17 H SER 4 H SER 4 -11.394 -5.109 -16.081 18 HA SER 4 HA SER 4 -13.140 -6.471 -14.191 19 1HB SER 4 1HB SER 4 -11.059 -7.570 -13.838 20 2HB SER 4 2HB SER 4 -10.135 -6.096 -14.055 21 HG SER 4 HG SER 4 -10.156 -6.070 -11.904 22 H SER 5 H SER 5 -10.848 -3.722 -14.787 23 HA SER 5 HA SER 5 -10.905 -1.626 -14.229 24 1HB SER 5 1HB SER 5 -13.804 -2.323 -14.245 25 2HB SER 5 2HB SER 5 -13.403 -0.859 -13.368 26 HG SER 5 HG SER 5 -13.119 -1.446 -16.147 27 H GLY 6 H GLY 6 -9.758 -1.093 -12.408 28 1HA GLY 6 1HA GLY 6 -10.557 -0.390 -10.016 29 2HA GLY 6 2HA GLY 6 -10.665 -2.128 -9.821 30 H THR 7 H THR 7 -8.614 0.590 -9.602 31 HA THR 7 HA THR 7 -6.198 -1.064 -9.843 32 HB THR 7 HB THR 7 -5.236 1.432 -9.642 33 HG1 THR 7 HG1 THR 7 -6.971 2.831 -10.591 34 1HG2 THR 7 1HG2 THR 7 -6.486 0.001 -11.978 35 2HG2 THR 7 2HG2 THR 7 -6.144 1.735 -12.189 36 3HG2 THR 7 3HG2 THR 7 -4.825 0.610 -11.787 37 HA PRO 8 HA PRO 8 -5.535 -0.987 -5.607 38 1HB PRO 8 1HB PRO 8 -2.810 -0.947 -5.406 39 2HB PRO 8 2HB PRO 8 -3.723 -2.398 -5.771 40 1HG PRO 8 1HG PRO 8 -2.103 -0.722 -7.589 41 2HG PRO 8 2HG PRO 8 -2.660 -2.367 -7.818 42 1HD PRO 8 1HD PRO 8 -3.751 -0.003 -9.022 43 2HD PRO 8 2HD PRO 8 -4.378 -1.634 -9.158 44 H LEU 9 H LEU 9 -3.739 1.486 -7.318 45 HA LEU 9 HA LEU 9 -3.388 3.067 -4.992 46 1HB LEU 9 1HB LEU 9 -1.845 3.260 -6.786 47 2HB LEU 9 2HB LEU 9 -3.116 3.591 -7.946 48 HG LEU 9 HG LEU 9 -3.475 5.781 -7.101 49 1HD1 LEU 9 1HD1 LEU 9 -2.681 6.669 -5.082 50 2HD1 LEU 9 2HD1 LEU 9 -3.240 5.030 -4.667 51 3HD1 LEU 9 3HD1 LEU 9 -1.500 5.355 -4.861 52 1HD2 LEU 9 1HD2 LEU 9 -0.499 5.216 -7.182 53 2HD2 LEU 9 2HD2 LEU 9 -1.554 5.597 -8.564 54 3HD2 LEU 9 3HD2 LEU 9 -1.248 6.825 -7.313 55 H SER 10 H SER 10 -5.869 2.794 -7.556 56 HA SER 10 HA SER 10 -7.187 5.156 -6.718 57 1HB SER 10 1HB SER 10 -7.251 4.100 -9.052 58 2HB SER 10 2HB SER 10 -8.322 2.879 -8.395 59 HG SER 10 HG SER 10 -9.118 5.123 -9.413 60 H LEU 11 H LEU 11 -7.722 1.588 -6.356 61 HA LEU 11 HA LEU 11 -10.114 1.684 -4.999 62 1HB LEU 11 1HB LEU 11 -7.808 -0.232 -5.042 63 2HB LEU 11 2HB LEU 11 -9.151 -0.498 -3.947 64 HG LEU 11 HG LEU 11 -10.530 -1.197 -5.581 65 1HD1 LEU 11 1HD1 LEU 11 -9.322 0.951 -7.329 66 2HD1 LEU 11 2HD1 LEU 11 -10.511 -0.231 -7.928 67 3HD1 LEU 11 3HD1 LEU 11 -10.950 0.885 -6.613 68 1HD2 LEU 11 1HD2 LEU 11 -9.294 -2.797 -6.486 69 2HD2 LEU 11 2HD2 LEU 11 -8.741 -1.655 -7.734 70 3HD2 LEU 11 3HD2 LEU 11 -7.817 -1.838 -6.224 71 H THR 12 H THR 12 -6.757 1.604 -3.605 72 HA THR 12 HA THR 12 -7.489 1.828 -0.955 73 HB THR 12 HB THR 12 -5.134 2.731 -0.728 74 HG1 THR 12 HG1 THR 12 -5.057 2.428 -3.612 75 1HG2 THR 12 1HG2 THR 12 -5.790 0.349 -2.458 76 2HG2 THR 12 2HG2 THR 12 -4.103 0.917 -2.458 77 3HG2 THR 12 3HG2 THR 12 -4.873 0.416 -0.933 78 H LEU 13 H LEU 13 -7.009 4.436 -3.399 79 HA LEU 13 HA LEU 13 -7.447 6.501 -1.517 80 1HB LEU 13 1HB LEU 13 -7.185 6.254 -4.470 81 2HB LEU 13 2HB LEU 13 -7.962 7.696 -3.847 82 HG LEU 13 HG LEU 13 -5.541 7.978 -4.273 83 1HD1 LEU 13 1HD1 LEU 13 -5.534 9.559 -2.713 84 2HD1 LEU 13 2HD1 LEU 13 -7.030 8.840 -2.070 85 3HD1 LEU 13 3HD1 LEU 13 -5.452 8.358 -1.402 86 1HD2 LEU 13 1HD2 LEU 13 -5.312 5.478 -3.031 87 2HD2 LEU 13 2HD2 LEU 13 -3.997 6.533 -3.602 88 3HD2 LEU 13 3HD2 LEU 13 -4.549 6.634 -1.913 89 H ASP 14 H ASP 14 -9.524 4.488 -3.604 90 HA ASP 14 HA ASP 14 -11.786 6.137 -3.208 91 1HB ASP 14 1HB ASP 14 -11.169 3.493 -4.473 92 2HB ASP 14 2HB ASP 14 -12.825 3.706 -3.943 93 H HIS 15 H HIS 15 -10.011 4.046 -1.213 94 HA HIS 15 HA HIS 15 -12.335 3.654 0.506 95 1HB HIS 15 1HB HIS 15 -10.297 1.552 -0.262 96 2HB HIS 15 2HB HIS 15 -11.343 1.407 1.137 97 HD1 HIS 15 HD1 HIS 15 -14.072 2.169 0.150 98 HD2 HIS 15 HD2 HIS 15 -11.376 -0.017 -2.206 99 HE1 HIS 15 HE1 HIS 15 -15.477 0.937 -1.588 100 H TRP 16 H TRP 16 -10.363 5.770 0.496 101 HA TRP 16 HA TRP 16 -8.164 5.410 2.059 102 1HB TRP 16 1HB TRP 16 -8.824 7.489 0.897 103 2HB TRP 16 2HB TRP 16 -10.054 7.770 2.113 104 HD1 TRP 16 HD1 TRP 16 -9.213 9.548 3.817 105 HE1 TRP 16 HE1 TRP 16 -6.963 10.263 4.997 106 HE3 TRP 16 HE3 TRP 16 -6.299 6.049 1.553 107 HZ2 TRP 16 HZ2 TRP 16 -4.278 9.307 4.854 108 HZ3 TRP 16 HZ3 TRP 16 -3.874 6.008 2.129 109 HH2 TRP 16 HH2 TRP 16 -2.856 7.562 3.717 110 H SER 17 H SER 17 -11.631 5.661 2.984 111 HA SER 17 HA SER 17 -11.341 5.982 5.668 112 1HB SER 17 1HB SER 17 -13.423 4.268 4.239 113 2HB SER 17 2HB SER 17 -13.586 4.929 5.854 114 HG SER 17 HG SER 17 -12.945 6.842 3.894 115 H GLU 18 H GLU 18 -11.258 2.960 3.688 116 HA GLU 18 HA GLU 18 -11.082 1.260 5.904 117 1HB GLU 18 1HB GLU 18 -11.842 0.306 3.856 118 2HB GLU 18 2HB GLU 18 -10.492 0.953 2.945 119 1HG GLU 18 1HG GLU 18 -8.952 -0.624 3.863 120 2HG GLU 18 2HG GLU 18 -10.004 -1.009 5.210 121 H ILE 19 H ILE 19 -8.640 2.741 3.686 122 HA ILE 19 HA ILE 19 -6.423 1.432 4.757 123 HB ILE 19 HB ILE 19 -6.426 4.196 3.564 124 1HG1 ILE 19 1HG1 ILE 19 -7.807 3.047 2.054 125 2HG1 ILE 19 2HG1 ILE 19 -6.206 2.967 1.348 126 1HG2 ILE 19 1HG2 ILE 19 -4.310 3.246 4.513 127 2HG2 ILE 19 2HG2 ILE 19 -4.418 1.948 3.299 128 3HG2 ILE 19 3HG2 ILE 19 -4.242 3.641 2.778 129 1HD1 ILE 19 1HD1 ILE 19 -5.887 0.680 2.140 130 2HD1 ILE 19 2HD1 ILE 19 -7.399 0.753 3.076 131 3HD1 ILE 19 3HD1 ILE 19 -7.452 0.771 1.297 132 H ARG 20 H ARG 20 -8.245 4.339 5.766 133 HA ARG 20 HA ARG 20 -6.307 5.180 7.598 134 1HB ARG 20 1HB ARG 20 -9.283 5.741 7.257 135 2HB ARG 20 2HB ARG 20 -8.386 6.442 8.589 136 1HG ARG 20 1HG ARG 20 -6.681 7.153 6.648 137 2HG ARG 20 2HG ARG 20 -8.089 6.952 5.625 138 1HD ARG 20 1HD ARG 20 -7.855 8.795 8.050 139 2HD ARG 20 2HD ARG 20 -7.970 9.287 6.372 140 HE ARG 20 HE ARG 20 -10.289 8.650 6.343 141 1HH1 ARG 20 1HH1 ARG 20 -8.776 8.110 9.474 142 2HH1 ARG 20 2HH1 ARG 20 -10.281 7.960 10.318 143 1HH2 ARG 20 1HH2 ARG 20 -12.275 8.452 7.456 144 2HH2 ARG 20 2HH2 ARG 20 -12.285 8.156 9.162 145 H SER 21 H SER 21 -8.966 2.827 7.652 146 HA SER 21 HA SER 21 -9.232 2.695 10.429 147 1HB SER 21 1HB SER 21 -10.465 1.540 8.170 148 2HB SER 21 2HB SER 21 -9.800 0.172 9.039 149 HG SER 21 HG SER 21 -11.928 0.645 9.802 150 H ARG 22 H ARG 22 -7.335 0.785 8.003 151 HA ARG 22 HA ARG 22 -6.342 -1.060 9.773 152 1HB ARG 22 1HB ARG 22 -5.028 0.100 7.263 153 2HB ARG 22 2HB ARG 22 -4.523 -1.382 8.051 154 1HG ARG 22 1HG ARG 22 -7.319 -1.681 7.698 155 2HG ARG 22 2HG ARG 22 -6.765 -0.932 6.213 156 1HD ARG 22 1HD ARG 22 -4.856 -2.752 6.275 157 2HD ARG 22 2HD ARG 22 -5.889 -3.578 7.424 158 HE ARG 22 HE ARG 22 -6.438 -3.157 4.551 159 1HH1 ARG 22 1HH1 ARG 22 -7.702 -4.158 7.679 160 2HH1 ARG 22 2HH1 ARG 22 -9.029 -5.042 7.003 161 1HH2 ARG 22 1HH2 ARG 22 -8.189 -4.323 3.659 162 2HH2 ARG 22 2HH2 ARG 22 -9.308 -5.137 4.701 163 H ALA 23 H ALA 23 -5.317 2.273 8.970 164 HA ALA 23 HA ALA 23 -2.797 2.103 10.265 165 1HB ALA 23 1HB ALA 23 -2.560 4.046 9.165 166 2HB ALA 23 2HB ALA 23 -4.259 3.936 8.645 167 3HB ALA 23 3HB ALA 23 -3.843 4.788 10.151 168 H HIS 24 H HIS 24 -6.143 2.907 11.233 169 HA HIS 24 HA HIS 24 -5.434 4.048 13.703 170 1HB HIS 24 1HB HIS 24 -7.670 4.040 12.261 171 2HB HIS 24 2HB HIS 24 -8.065 2.683 13.296 172 HD1 HIS 24 HD1 HIS 24 -8.682 3.172 15.743 173 HD2 HIS 24 HD2 HIS 24 -7.388 6.559 13.633 174 HE1 HIS 24 HE1 HIS 24 -9.206 5.182 17.226 175 H ASN 25 H ASN 25 -6.402 0.722 12.666 176 HA ASN 25 HA ASN 25 -6.384 -0.330 15.235 177 1HB ASN 25 1HB ASN 25 -7.092 -1.258 12.745 178 2HB ASN 25 2HB ASN 25 -5.573 -2.105 12.950 179 1HD2 ASN 25 1HD2 ASN 25 -8.496 -2.879 12.980 180 2HD2 ASN 25 2HD2 ASN 25 -8.708 -3.835 14.409 181 H LEU 26 H LEU 26 -3.883 0.349 12.792 182 HA LEU 26 HA LEU 26 -1.901 -1.240 14.182 183 1HB LEU 26 1HB LEU 26 -1.807 0.462 11.691 184 2HB LEU 26 2HB LEU 26 -0.418 -0.373 12.357 185 HG LEU 26 HG LEU 26 -2.961 -1.759 11.469 186 1HD1 LEU 26 1HD1 LEU 26 -0.919 -2.457 9.710 187 2HD1 LEU 26 2HD1 LEU 26 -2.302 -1.386 9.378 188 3HD1 LEU 26 3HD1 LEU 26 -0.750 -0.696 9.911 189 1HD2 LEU 26 1HD2 LEU 26 -0.252 -2.788 12.334 190 2HD2 LEU 26 2HD2 LEU 26 -1.840 -3.102 13.076 191 3HD2 LEU 26 3HD2 LEU 26 -1.456 -3.779 11.475 192 H SER 27 H SER 27 -3.317 1.866 14.412 193 HA SER 27 HA SER 27 -2.866 3.585 15.661 194 1HB SER 27 1HB SER 27 -0.387 2.195 16.747 195 2HB SER 27 2HB SER 27 -1.332 3.449 17.524 196 HG SER 27 HG SER 27 -2.509 1.902 18.397 197 H VAL 28 H VAL 28 -2.194 3.997 13.135 198 HA VAL 28 HA VAL 28 0.278 5.515 13.332 199 HB VAL 28 HB VAL 28 0.913 4.644 11.040 200 1HG1 VAL 28 1HG1 VAL 28 2.182 2.814 11.933 201 2HG1 VAL 28 2HG1 VAL 28 2.040 4.048 13.208 202 3HG1 VAL 28 3HG1 VAL 28 1.025 2.587 13.266 203 1HG2 VAL 28 1HG2 VAL 28 0.062 2.585 10.243 204 2HG2 VAL 28 2HG2 VAL 28 -0.792 2.253 11.769 205 3HG2 VAL 28 3HG2 VAL 28 -1.369 3.546 10.690 206 H GLU 29 H GLU 29 0.292 7.367 11.979 207 HA GLU 29 HA GLU 29 -2.334 7.893 10.837 208 1HB GLU 29 1HB GLU 29 -0.893 9.359 12.687 209 2HB GLU 29 2HB GLU 29 -0.465 10.173 11.196 210 1HG GLU 29 1HG GLU 29 -2.546 11.079 10.961 211 2HG GLU 29 2HG GLU 29 -3.342 9.557 11.307 212 H ILE 30 H ILE 30 -2.547 8.570 8.675 213 HA ILE 30 HA ILE 30 -0.095 9.002 7.171 214 HB ILE 30 HB ILE 30 -0.756 7.415 5.444 215 1HG1 ILE 30 1HG1 ILE 30 -3.008 6.745 7.349 216 2HG1 ILE 30 2HG1 ILE 30 -3.130 7.309 5.695 217 1HG2 ILE 30 1HG2 ILE 30 0.265 5.624 6.424 218 2HG2 ILE 30 2HG2 ILE 30 0.661 6.883 7.617 219 3HG2 ILE 30 3HG2 ILE 30 -0.682 5.756 7.926 220 1HD1 ILE 30 1HD1 ILE 30 -1.466 4.931 5.757 221 2HD1 ILE 30 2HD1 ILE 30 -3.001 4.611 6.600 222 3HD1 ILE 30 3HD1 ILE 30 -3.013 5.188 4.916 223 H LYS 31 H LYS 31 -0.592 9.906 4.958 224 HA LYS 31 HA LYS 31 -3.106 11.421 5.101 225 1HB LYS 31 1HB LYS 31 -0.308 12.223 4.472 226 2HB LYS 31 2HB LYS 31 -1.571 12.950 3.499 227 1HG LYS 31 1HG LYS 31 -2.027 14.380 5.195 228 2HG LYS 31 2HG LYS 31 -2.536 13.023 6.180 229 1HD LYS 31 1HD LYS 31 -0.605 13.027 7.414 230 2HD LYS 31 2HD LYS 31 0.409 13.279 6.007 231 1HE LYS 31 1HE LYS 31 -0.701 15.731 6.077 232 2HE LYS 31 2HE LYS 31 -0.942 15.325 7.765 233 1HZ LYS 31 1HZ LYS 31 1.672 14.786 6.659 234 2HZ LYS 31 2HZ LYS 31 1.279 16.355 6.883 235 3HZ LYS 31 3HZ LYS 31 1.261 15.321 8.147 236 H LYS 32 H LYS 32 -3.877 12.140 2.839 237 HA LYS 32 HA LYS 32 -3.780 9.761 1.163 238 1HB LYS 32 1HB LYS 32 -5.992 10.306 1.569 239 2HB LYS 32 2HB LYS 32 -5.699 12.033 1.541 240 1HG LYS 32 1HG LYS 32 -5.709 12.149 -0.800 241 2HG LYS 32 2HG LYS 32 -5.174 10.492 -0.996 242 1HD LYS 32 1HD LYS 32 -7.544 10.714 -1.663 243 2HD LYS 32 2HD LYS 32 -7.398 9.657 -0.273 244 1HE LYS 32 1HE LYS 32 -7.736 12.514 0.459 245 2HE LYS 32 2HE LYS 32 -9.089 11.866 -0.448 246 1HZ LYS 32 1HZ LYS 32 -8.093 11.069 2.152 247 2HZ LYS 32 2HZ LYS 32 -9.633 11.240 1.637 248 3HZ LYS 32 3HZ LYS 32 -8.776 9.913 1.222 249 H GLY 33 H GLY 33 -2.424 12.933 1.447 250 1HA GLY 33 1HA GLY 33 -2.087 13.455 -1.349 251 2HA GLY 33 2HA GLY 33 -1.325 14.280 -0.004 252 HA PRO 34 HA PRO 34 2.237 11.780 -0.379 253 1HB PRO 34 1HB PRO 34 2.735 10.528 1.999 254 2HB PRO 34 2HB PRO 34 3.081 12.222 1.717 255 1HG PRO 34 1HG PRO 34 0.878 11.014 3.274 256 2HG PRO 34 2HG PRO 34 1.486 12.656 3.326 257 1HD PRO 34 1HD PRO 34 -0.917 11.756 2.044 258 2HD PRO 34 2HD PRO 34 -0.248 13.375 1.999 259 H TRP 35 H TRP 35 -0.295 9.827 1.046 260 HA TRP 35 HA TRP 35 0.704 7.340 0.536 261 1HB TRP 35 1HB TRP 35 -1.301 7.607 1.772 262 2HB TRP 35 2HB TRP 35 -2.112 8.411 0.443 263 HD1 TRP 35 HD1 TRP 35 -2.558 6.695 -1.813 264 HE1 TRP 35 HE1 TRP 35 -3.302 4.166 -1.917 265 HE3 TRP 35 HE3 TRP 35 -1.160 5.544 2.938 266 HZ2 TRP 35 HZ2 TRP 35 -3.225 2.015 -0.042 267 HZ3 TRP 35 HZ3 TRP 35 -1.529 3.207 3.723 268 HH2 TRP 35 HH2 TRP 35 -2.523 1.471 2.318 269 H ARG 36 H ARG 36 -1.060 9.602 -1.679 270 HA ARG 36 HA ARG 36 -0.991 7.812 -3.826 271 1HB ARG 36 1HB ARG 36 -2.456 9.982 -3.385 272 2HB ARG 36 2HB ARG 36 -1.134 10.829 -4.164 273 1HG ARG 36 1HG ARG 36 -1.742 10.091 -6.232 274 2HG ARG 36 2HG ARG 36 -1.894 8.433 -5.684 275 1HD ARG 36 1HD ARG 36 -4.123 9.366 -4.515 276 2HD ARG 36 2HD ARG 36 -3.989 10.611 -5.741 277 HE ARG 36 HE ARG 36 -3.668 7.944 -6.869 278 1HH1 ARG 36 1HH1 ARG 36 -6.051 10.309 -5.815 279 2HH1 ARG 36 2HH1 ARG 36 -7.306 9.688 -6.835 280 1HH2 ARG 36 1HH2 ARG 36 -5.323 7.125 -8.215 281 2HH2 ARG 36 2HH2 ARG 36 -6.889 7.865 -8.209 282 H THR 37 H THR 37 0.965 10.734 -2.917 283 HA THR 37 HA THR 37 2.624 10.787 -5.137 284 HB THR 37 HB THR 37 2.968 11.602 -2.211 285 HG1 THR 37 HG1 THR 37 1.374 12.691 -3.593 286 1HG2 THR 37 1HG2 THR 37 5.072 11.356 -4.090 287 2HG2 THR 37 2HG2 THR 37 4.567 13.059 -4.203 288 3HG2 THR 37 3HG2 THR 37 5.077 12.384 -2.637 289 H PHE 38 H PHE 38 3.119 9.065 -1.987 290 HA PHE 38 HA PHE 38 5.575 7.986 -2.630 291 1HB PHE 38 1HB PHE 38 3.167 7.098 -0.951 292 2HB PHE 38 2HB PHE 38 4.644 6.156 -0.954 293 HD1 PHE 38 HD1 PHE 38 3.103 7.891 1.252 294 HD2 PHE 38 HD2 PHE 38 6.646 8.395 -1.029 295 HE1 PHE 38 HE1 PHE 38 4.049 9.368 3.047 296 HE2 PHE 38 HE2 PHE 38 7.592 9.873 0.766 297 HZ PHE 38 HZ PHE 38 6.282 10.342 2.783 298 H CYS 39 H CYS 39 2.307 7.079 -3.674 299 HA CYS 39 HA CYS 39 3.412 4.652 -4.868 300 1HB CYS 39 1HB CYS 39 1.370 4.509 -3.356 301 2HB CYS 39 2HB CYS 39 0.481 5.371 -4.596 302 HG CYS 39 HG CYS 39 0.623 3.711 -6.455 303 H ALA 40 H ALA 40 3.474 7.731 -5.631 304 HA ALA 40 HA ALA 40 2.140 7.545 -8.223 305 1HB ALA 40 1HB ALA 40 2.529 9.971 -8.309 306 2HB ALA 40 2HB ALA 40 1.723 9.523 -6.787 307 3HB ALA 40 3HB ALA 40 3.465 9.888 -6.798 308 H SER 41 H SER 41 5.341 8.541 -6.807 309 HA SER 41 HA SER 41 6.641 7.112 -8.909 310 1HB SER 41 1HB SER 41 6.086 9.839 -9.339 311 2HB SER 41 2HB SER 41 7.756 9.829 -8.810 312 HG SER 41 HG SER 41 8.373 8.863 -10.638 313 H GLU 42 H GLU 42 6.501 6.758 -6.075 314 HA GLU 42 HA GLU 42 9.188 7.605 -5.313 315 1HB GLU 42 1HB GLU 42 7.086 8.474 -3.995 316 2HB GLU 42 2HB GLU 42 7.036 6.862 -3.311 317 1HG GLU 42 1HG GLU 42 8.427 7.874 -1.754 318 2HG GLU 42 2HG GLU 42 9.643 7.312 -2.883 319 H TRP 43 H TRP 43 6.664 5.025 -4.950 320 HA TRP 43 HA TRP 43 8.574 3.140 -3.961 321 1HB TRP 43 1HB TRP 43 5.683 2.982 -4.794 322 2HB TRP 43 2HB TRP 43 6.605 1.552 -4.372 323 HD1 TRP 43 HD1 TRP 43 8.168 3.447 -1.944 324 HE1 TRP 43 HE1 TRP 43 6.958 3.688 0.389 325 HE3 TRP 43 HE3 TRP 43 3.550 2.130 -3.614 326 HZ2 TRP 43 HZ2 TRP 43 4.265 3.308 1.254 327 HZ3 TRP 43 HZ3 TRP 43 1.685 2.090 -1.961 328 HH2 TRP 43 HH2 TRP 43 1.985 2.652 0.399 329 HA PRO 44 HA PRO 44 8.110 1.783 -8.498 330 1HB PRO 44 1HB PRO 44 7.057 3.537 -10.309 331 2HB PRO 44 2HB PRO 44 6.117 2.272 -9.542 332 1HG PRO 44 1HG PRO 44 6.109 5.178 -8.995 333 2HG PRO 44 2HG PRO 44 4.909 3.976 -8.562 334 1HD PRO 44 1HD PRO 44 6.855 5.163 -6.821 335 2HD PRO 44 2HD PRO 44 5.733 3.879 -6.418 336 H THR 45 H THR 45 9.466 4.401 -7.175 337 HA THR 45 HA THR 45 11.379 4.600 -9.409 338 HB THR 45 HB THR 45 11.708 6.970 -8.594 339 HG1 THR 45 HG1 THR 45 10.540 7.538 -6.760 340 1HG2 THR 45 1HG2 THR 45 8.754 6.311 -9.069 341 2HG2 THR 45 2HG2 THR 45 9.535 7.892 -9.312 342 3HG2 THR 45 3HG2 THR 45 9.951 6.522 -10.369 343 H PHE 46 H PHE 46 11.164 2.743 -6.980 344 HA PHE 46 HA PHE 46 13.538 3.621 -5.536 345 1HB PHE 46 1HB PHE 46 11.216 1.711 -5.200 346 2HB PHE 46 2HB PHE 46 12.717 1.219 -4.440 347 HD1 PHE 46 HD1 PHE 46 11.396 1.346 -2.304 348 HD2 PHE 46 HD2 PHE 46 12.227 4.778 -4.657 349 HE1 PHE 46 HE1 PHE 46 10.883 2.818 -0.338 350 HE2 PHE 46 HE2 PHE 46 11.713 6.251 -2.690 351 HZ PHE 46 HZ PHE 46 11.047 5.253 -0.554 352 H ASP 47 H ASP 47 12.539 1.540 -8.133 353 HA ASP 47 HA ASP 47 13.768 0.328 -9.480 354 1HB ASP 47 1HB ASP 47 16.108 0.306 -7.541 355 2HB ASP 47 2HB ASP 47 16.150 0.100 -9.281 356 H VAL 48 H VAL 48 12.240 -1.393 -8.802 357 HA VAL 48 HA VAL 48 13.584 -3.616 -7.609 358 HB VAL 48 HB VAL 48 11.758 -3.909 -5.877 359 1HG1 VAL 48 1HG1 VAL 48 13.072 -2.949 -4.232 360 2HG1 VAL 48 2HG1 VAL 48 14.220 -3.038 -5.590 361 3HG1 VAL 48 3HG1 VAL 48 13.418 -1.497 -5.201 362 1HG2 VAL 48 1HG2 VAL 48 10.063 -2.413 -6.271 363 2HG2 VAL 48 2HG2 VAL 48 11.001 -1.491 -5.072 364 3HG2 VAL 48 3HG2 VAL 48 11.169 -1.126 -6.807 365 H GLY 49 H GLY 49 10.358 -2.188 -8.467 366 1HA GLY 49 1HA GLY 49 9.674 -3.332 -10.696 367 2HA GLY 49 2HA GLY 49 9.607 -4.756 -9.678 368 H TRP 50 H TRP 50 8.745 -1.319 -8.907 369 HA TRP 50 HA TRP 50 6.096 -2.306 -8.128 370 1HB TRP 50 1HB TRP 50 7.332 -1.280 -6.334 371 2HB TRP 50 2HB TRP 50 7.656 0.145 -7.300 372 HD1 TRP 50 HD1 TRP 50 5.520 1.846 -7.705 373 HE1 TRP 50 HE1 TRP 50 3.288 2.310 -6.376 374 HE3 TRP 50 HE3 TRP 50 5.627 -2.450 -4.985 375 HZ2 TRP 50 HZ2 TRP 50 1.850 0.861 -4.381 376 HZ3 TRP 50 HZ3 TRP 50 3.772 -2.848 -3.370 377 HH2 TRP 50 HH2 TRP 50 1.928 -1.277 -3.045 378 HA PRO 51 HA PRO 51 4.710 -0.190 -11.699 379 1HB PRO 51 1HB PRO 51 2.044 -0.735 -11.448 380 2HB PRO 51 2HB PRO 51 3.183 -1.843 -12.185 381 1HG PRO 51 1HG PRO 51 1.921 -1.988 -9.516 382 2HG PRO 51 2HG PRO 51 2.706 -3.261 -10.429 383 1HD PRO 51 1HD PRO 51 3.794 -1.830 -8.194 384 2HD PRO 51 2HD PRO 51 4.621 -3.020 -9.179 385 HA PRO 52 HA PRO 52 3.332 3.633 -10.481 386 1HB PRO 52 1HB PRO 52 1.999 4.584 -12.668 387 2HB PRO 52 2HB PRO 52 3.746 4.590 -12.533 388 1HG PRO 52 1HG PRO 52 2.018 2.806 -14.137 389 2HG PRO 52 2HG PRO 52 3.735 3.113 -14.305 390 1HD PRO 52 1HD PRO 52 2.512 0.794 -13.142 391 2HD PRO 52 2HD PRO 52 4.226 1.154 -13.206 392 H GLU 53 H GLU 53 0.849 1.593 -11.847 393 HA GLU 53 HA GLU 53 -1.223 3.107 -10.681 394 1HB GLU 53 1HB GLU 53 -1.120 0.301 -11.861 395 2HB GLU 53 2HB GLU 53 -2.602 1.026 -11.273 396 1HG GLU 53 1HG GLU 53 -2.439 1.408 -13.685 397 2HG GLU 53 2HG GLU 53 -2.285 2.945 -12.857 398 H GLY 54 H GLY 54 0.896 0.474 -9.630 399 1HA GLY 54 1HA GLY 54 1.182 0.279 -7.235 400 2HA GLY 54 2HA GLY 54 -0.556 0.414 -7.054 401 H THR 55 H THR 55 0.486 -1.744 -5.838 402 HA THR 55 HA THR 55 -0.709 -3.908 -7.255 403 HB THR 55 HB THR 55 1.648 -3.623 -8.305 404 HG1 THR 55 HG1 THR 55 0.515 -5.636 -8.425 405 1HG2 THR 55 1HG2 THR 55 3.052 -3.227 -6.355 406 2HG2 THR 55 2HG2 THR 55 2.340 -4.613 -5.495 407 3HG2 THR 55 3HG2 THR 55 3.397 -4.886 -6.900 408 H PHE 56 H PHE 56 -1.073 -5.745 -5.924 409 HA PHE 56 HA PHE 56 -0.595 -5.123 -3.097 410 1HB PHE 56 1HB PHE 56 -2.753 -6.576 -4.711 411 2HB PHE 56 2HB PHE 56 -2.600 -6.883 -2.993 412 HD1 PHE 56 HD1 PHE 56 -2.382 -4.555 -1.583 413 HD2 PHE 56 HD2 PHE 56 -4.357 -5.045 -5.307 414 HE1 PHE 56 HE1 PHE 56 -3.800 -2.541 -1.097 415 HE2 PHE 56 HE2 PHE 56 -5.774 -3.031 -4.821 416 HZ PHE 56 HZ PHE 56 -5.478 -1.804 -2.722 417 H ASP 57 H ASP 57 1.436 -6.385 -4.751 418 HA ASP 57 HA ASP 57 1.210 -9.177 -4.089 419 1HB ASP 57 1HB ASP 57 2.105 -8.496 -6.305 420 2HB ASP 57 2HB ASP 57 3.378 -7.576 -5.527 421 H LEU 58 H LEU 58 1.814 -9.696 -1.974 422 HA LEU 58 HA LEU 58 3.146 -8.100 -0.226 423 1HB LEU 58 1HB LEU 58 1.991 -10.548 -0.157 424 2HB LEU 58 2HB LEU 58 3.677 -10.998 0.009 425 HG LEU 58 HG LEU 58 3.708 -9.161 1.885 426 1HD1 LEU 58 1HD1 LEU 58 0.755 -9.783 1.653 427 2HD1 LEU 58 2HD1 LEU 58 1.517 -9.073 3.096 428 3HD1 LEU 58 3HD1 LEU 58 1.550 -8.194 1.548 429 1HD2 LEU 58 1HD2 LEU 58 2.933 -10.905 3.538 430 2HD2 LEU 58 2HD2 LEU 58 2.499 -11.921 2.142 431 3HD2 LEU 58 3HD2 LEU 58 4.191 -11.427 2.392 432 H THR 59 H THR 59 4.532 -10.469 -2.568 433 HA THR 59 HA THR 59 7.172 -10.315 -1.738 434 HB THR 59 HB THR 59 5.880 -10.751 -4.480 435 HG1 THR 59 HG1 THR 59 7.073 -12.460 -2.411 436 1HG2 THR 59 1HG2 THR 59 8.205 -12.241 -4.415 437 2HG2 THR 59 2HG2 THR 59 8.063 -10.670 -5.239 438 3HG2 THR 59 3HG2 THR 59 8.733 -10.754 -3.592 439 H VAL 60 H VAL 60 5.328 -8.165 -3.964 440 HA VAL 60 HA VAL 60 7.643 -6.588 -4.518 441 HB VAL 60 HB VAL 60 4.688 -6.177 -5.004 442 1HG1 VAL 60 1HG1 VAL 60 5.072 -4.149 -5.890 443 2HG1 VAL 60 2HG1 VAL 60 6.610 -4.191 -4.995 444 3HG1 VAL 60 3HG1 VAL 60 6.561 -4.687 -6.704 445 1HG2 VAL 60 1HG2 VAL 60 6.306 -6.553 -7.365 446 2HG2 VAL 60 2HG2 VAL 60 6.565 -7.897 -6.228 447 3HG2 VAL 60 3HG2 VAL 60 4.919 -7.504 -6.782 448 H ILE 61 H ILE 61 4.847 -6.466 -2.267 449 HA ILE 61 HA ILE 61 5.311 -3.859 -1.357 450 HB ILE 61 HB ILE 61 3.867 -6.260 -0.285 451 1HG1 ILE 61 1HG1 ILE 61 2.876 -3.528 -1.146 452 2HG1 ILE 61 2HG1 ILE 61 2.950 -4.927 -2.199 453 1HG2 ILE 61 1HG2 ILE 61 4.099 -3.577 1.106 454 2HG2 ILE 61 2HG2 ILE 61 3.027 -4.919 1.574 455 3HG2 ILE 61 3HG2 ILE 61 4.794 -5.116 1.670 456 1HD1 ILE 61 1HD1 ILE 61 1.091 -4.351 0.067 457 2HD1 ILE 61 2HD1 ILE 61 0.801 -5.245 -1.444 458 3HD1 ILE 61 3HD1 ILE 61 1.632 -6.040 -0.086 459 H PHE 62 H PHE 62 6.309 -7.082 -0.012 460 HA PHE 62 HA PHE 62 7.704 -6.125 2.150 461 1HB PHE 62 1HB PHE 62 7.603 -8.528 0.361 462 2HB PHE 62 2HB PHE 62 9.132 -8.356 1.200 463 HD1 PHE 62 HD1 PHE 62 5.470 -8.230 1.933 464 HD2 PHE 62 HD2 PHE 62 9.340 -9.337 3.276 465 HE1 PHE 62 HE1 PHE 62 4.462 -9.267 3.984 466 HE2 PHE 62 HE2 PHE 62 8.332 -10.374 5.328 467 HZ PHE 62 HZ PHE 62 5.904 -10.326 5.657 468 H GLU 63 H GLU 63 8.552 -6.105 -1.289 469 HA GLU 63 HA GLU 63 11.316 -5.815 -0.881 470 1HB GLU 63 1HB GLU 63 9.451 -5.319 -3.221 471 2HB GLU 63 2HB GLU 63 11.148 -4.896 -3.329 472 1HG GLU 63 1HG GLU 63 10.352 -7.660 -2.369 473 2HG GLU 63 2HG GLU 63 10.338 -7.303 -4.084 474 H VAL 64 H VAL 64 8.646 -3.478 -1.664 475 HA VAL 64 HA VAL 64 10.364 -1.227 -1.491 476 HB VAL 64 HB VAL 64 7.406 -1.701 -1.675 477 1HG1 VAL 64 1HG1 VAL 64 7.505 0.972 -1.999 478 2HG1 VAL 64 2HG1 VAL 64 7.131 0.192 -0.443 479 3HG1 VAL 64 3HG1 VAL 64 8.779 0.781 -0.771 480 1HG2 VAL 64 1HG2 VAL 64 8.369 0.104 -3.631 481 2HG2 VAL 64 2HG2 VAL 64 9.577 -1.197 -3.503 482 3HG2 VAL 64 3HG2 VAL 64 7.877 -1.592 -3.852 483 H LYS 65 H LYS 65 8.154 -2.961 0.750 484 HA LYS 65 HA LYS 65 8.182 -1.065 2.787 485 1HB LYS 65 1HB LYS 65 6.545 -2.795 2.797 486 2HB LYS 65 2HB LYS 65 7.758 -4.059 2.759 487 1HG LYS 65 1HG LYS 65 8.604 -3.011 5.020 488 2HG LYS 65 2HG LYS 65 7.048 -2.206 5.059 489 1HD LYS 65 1HD LYS 65 5.871 -4.173 5.417 490 2HD LYS 65 2HD LYS 65 6.980 -5.142 4.467 491 1HE LYS 65 1HE LYS 65 8.457 -4.152 6.727 492 2HE LYS 65 2HE LYS 65 6.929 -4.753 7.339 493 1HZ LYS 65 1HZ LYS 65 8.388 -6.556 7.248 494 2HZ LYS 65 2HZ LYS 65 7.379 -6.777 5.982 495 3HZ LYS 65 3HZ LYS 65 8.894 -6.219 5.732 496 H ALA 66 H ALA 66 10.337 -3.905 2.143 497 HA ALA 66 HA ALA 66 11.922 -3.573 4.410 498 1HB ALA 66 1HB ALA 66 11.779 -5.571 2.861 499 2HB ALA 66 2HB ALA 66 12.770 -4.658 1.698 500 3HB ALA 66 3HB ALA 66 13.435 -5.082 3.293 501 H ILE 67 H ILE 67 11.706 -1.786 1.387 502 HA ILE 67 HA ILE 67 14.330 -0.660 1.608 503 HB ILE 67 HB ILE 67 11.941 -0.152 -0.150 504 1HG1 ILE 67 1HG1 ILE 67 14.708 -1.076 -0.932 505 2HG1 ILE 67 2HG1 ILE 67 13.477 -2.201 -0.395 506 1HG2 ILE 67 1HG2 ILE 67 13.422 1.392 -1.443 507 2HG2 ILE 67 2HG2 ILE 67 12.918 2.013 0.147 508 3HG2 ILE 67 3HG2 ILE 67 14.561 1.365 -0.075 509 1HD1 ILE 67 1HD1 ILE 67 12.609 -0.227 -2.469 510 2HD1 ILE 67 2HD1 ILE 67 13.776 -1.464 -2.994 511 3HD1 ILE 67 3HD1 ILE 67 12.210 -1.954 -2.304 512 H VAL 68 H VAL 68 10.960 0.255 2.460 513 HA VAL 68 HA VAL 68 11.769 2.861 3.334 514 HB VAL 68 HB VAL 68 9.533 3.252 3.669 515 1HG1 VAL 68 1HG1 VAL 68 8.709 2.817 1.624 516 2HG1 VAL 68 2HG1 VAL 68 10.241 1.956 1.339 517 3HG1 VAL 68 3HG1 VAL 68 8.797 1.055 1.861 518 1HG2 VAL 68 1HG2 VAL 68 8.032 0.950 3.805 519 2HG2 VAL 68 2HG2 VAL 68 9.502 0.496 4.701 520 3HG2 VAL 68 3HG2 VAL 68 8.560 1.922 5.200 521 H PHE 69 H PHE 69 11.445 -0.394 4.692 522 HA PHE 69 HA PHE 69 11.723 0.679 7.385 523 1HB PHE 69 1HB PHE 69 11.008 -1.941 6.015 524 2HB PHE 69 2HB PHE 69 11.640 -2.036 7.646 525 HD1 PHE 69 HD1 PHE 69 8.804 -1.067 5.584 526 HD2 PHE 69 HD2 PHE 69 10.375 -1.083 9.526 527 HE1 PHE 69 HE1 PHE 69 6.515 -0.593 6.498 528 HE2 PHE 69 HE2 PHE 69 8.086 -0.610 10.441 529 HZ PHE 69 HZ PHE 69 6.183 -0.371 8.916 530 H GLN 70 H GLN 70 13.940 0.981 5.471 531 HA GLN 70 HA GLN 70 15.798 -1.066 6.239 532 1HB GLN 70 1HB GLN 70 17.335 0.033 4.692 533 2HB GLN 70 2HB GLN 70 15.769 -0.133 3.923 534 1HG GLN 70 1HG GLN 70 15.220 2.206 4.356 535 2HG GLN 70 2HG GLN 70 16.627 2.405 5.382 536 1HE2 GLN 70 1HE2 GLN 70 15.731 1.344 2.105 537 2HE2 GLN 70 2HE2 GLN 70 17.055 2.079 1.264 538 H ASP 71 H ASP 71 18.134 -0.167 6.886 539 HA ASP 71 HA ASP 71 17.630 1.726 9.042 540 1HB ASP 71 1HB ASP 71 18.415 -0.703 9.526 541 2HB ASP 71 2HB ASP 71 19.955 -0.234 8.834 542 H GLY 72 H GLY 72 18.424 2.073 6.046 543 1HA GLY 72 1HA GLY 72 21.069 3.334 6.412 544 2HA GLY 72 2HA GLY 72 20.399 2.766 4.895 545 HA PRO 73 HA PRO 73 19.458 7.195 5.140 546 1HB PRO 73 1HB PRO 73 20.544 7.931 2.742 547 2HB PRO 73 2HB PRO 73 21.415 8.032 4.259 548 1HG PRO 73 1HG PRO 73 21.718 6.062 2.076 549 2HG PRO 73 2HG PRO 73 22.831 6.440 3.376 550 1HD PRO 73 1HD PRO 73 21.117 4.148 3.197 551 2HD PRO 73 2HD PRO 73 22.143 4.586 4.548 552 H GLY 74 H GLY 74 18.548 4.577 3.376 553 1HA GLY 74 1HA GLY 74 16.641 6.115 1.752 554 2HA GLY 74 2HA GLY 74 17.079 4.430 1.550 555 H SER 75 H SER 75 16.514 5.693 4.813 556 HA SER 75 HA SER 75 14.350 3.853 5.080 557 1HB SER 75 1HB SER 75 14.370 4.791 7.491 558 2HB SER 75 2HB SER 75 15.787 3.908 6.958 559 HG SER 75 HG SER 75 15.815 6.699 6.466 560 H HIS 76 H HIS 76 12.152 4.413 5.646 561 HA HIS 76 HA HIS 76 11.495 7.237 5.536 562 1HB HIS 76 1HB HIS 76 9.762 5.471 3.889 563 2HB HIS 76 2HB HIS 76 10.156 7.167 3.692 564 HD1 HIS 76 HD1 HIS 76 12.958 7.446 3.055 565 HD2 HIS 76 HD2 HIS 76 10.896 3.973 1.924 566 HE1 HIS 76 HE1 HIS 76 14.311 6.395 1.165 567 HA PRO 77 HA PRO 77 9.209 5.214 8.776 568 1HB PRO 77 1HB PRO 77 9.274 7.296 10.545 569 2HB PRO 77 2HB PRO 77 10.494 6.038 10.500 570 1HG PRO 77 1HG PRO 77 10.673 8.827 9.537 571 2HG PRO 77 2HG PRO 77 11.969 7.703 9.892 572 1HD PRO 77 1HD PRO 77 11.000 8.441 7.295 573 2HD PRO 77 2HD PRO 77 12.216 7.231 7.655 574 H ASP 78 H ASP 78 8.610 7.721 6.709 575 HA ASP 78 HA ASP 78 6.097 8.396 7.891 576 1HB ASP 78 1HB ASP 78 7.783 9.815 6.354 577 2HB ASP 78 2HB ASP 78 6.854 9.099 5.052 578 H GLN 79 H GLN 79 7.469 6.461 5.186 579 HA GLN 79 HA GLN 79 4.838 5.810 4.233 580 1HB GLN 79 1HB GLN 79 7.622 4.980 3.310 581 2HB GLN 79 2HB GLN 79 6.146 4.444 2.533 582 1HG GLN 79 1HG GLN 79 6.181 6.341 1.292 583 2HG GLN 79 2HG GLN 79 5.839 7.247 2.753 584 1HE2 GLN 79 1HE2 GLN 79 8.413 5.876 0.767 585 2HE2 GLN 79 2HE2 GLN 79 9.663 6.996 1.196 586 H GLN 80 H GLN 80 7.148 4.650 6.532 587 HA GLN 80 HA GLN 80 6.951 1.960 6.362 588 1HB GLN 80 1HB GLN 80 7.483 3.936 8.505 589 2HB GLN 80 2HB GLN 80 6.895 2.398 9.106 590 1HG GLN 80 1HG GLN 80 8.694 1.179 8.055 591 2HG GLN 80 2HG GLN 80 9.147 2.549 7.061 592 1HE2 GLN 80 1HE2 GLN 80 11.132 3.025 7.680 593 2HE2 GLN 80 2HE2 GLN 80 11.650 3.395 9.291 594 HA PRO 81 HA PRO 81 2.865 2.237 8.772 595 1HB PRO 81 1HB PRO 81 1.592 4.645 8.993 596 2HB PRO 81 2HB PRO 81 2.631 3.993 10.243 597 1HG PRO 81 1HG PRO 81 3.185 6.171 8.324 598 2HG PRO 81 2HG PRO 81 4.010 5.793 9.823 599 1HD PRO 81 1HD PRO 81 4.934 5.230 7.166 600 2HD PRO 81 2HD PRO 81 5.701 4.749 8.667 601 H TYR 82 H TYR 82 3.363 4.090 5.929 602 HA TYR 82 HA TYR 82 0.688 3.796 4.983 603 1HB TYR 82 1HB TYR 82 3.459 4.500 3.861 604 2HB TYR 82 2HB TYR 82 2.066 4.440 2.801 605 HD1 TYR 82 HD1 TYR 82 2.586 5.831 6.255 606 HD2 TYR 82 HD2 TYR 82 1.419 6.585 2.208 607 HE1 TYR 82 HE1 TYR 82 2.015 8.234 6.859 608 HE2 TYR 82 HE2 TYR 82 0.852 8.985 2.826 609 HH TYR 82 HH TYR 82 1.555 10.229 6.051 610 H ILE 83 H ILE 83 3.866 2.210 4.221 611 HA ILE 83 HA ILE 83 2.737 0.437 2.347 612 HB ILE 83 HB ILE 83 5.089 1.110 2.391 613 1HG1 ILE 83 1HG1 ILE 83 6.033 -1.054 1.838 614 2HG1 ILE 83 2HG1 ILE 83 4.770 -1.885 2.724 615 1HG2 ILE 83 1HG2 ILE 83 5.910 1.254 4.502 616 2HG2 ILE 83 2HG2 ILE 83 4.991 -0.156 5.083 617 3HG2 ILE 83 3HG2 ILE 83 6.468 -0.392 4.117 618 1HD1 ILE 83 1HD1 ILE 83 3.226 -1.610 1.051 619 2HD1 ILE 83 2HD1 ILE 83 3.779 0.040 0.678 620 3HD1 ILE 83 3HD1 ILE 83 4.665 -1.362 0.033 621 H THR 84 H THR 84 3.104 0.426 5.883 622 HA THR 84 HA THR 84 2.806 -2.280 6.380 623 HB THR 84 HB THR 84 2.026 0.273 7.857 624 HG1 THR 84 HG1 THR 84 4.016 -1.879 7.990 625 1HG2 THR 84 1HG2 THR 84 0.573 -1.605 8.703 626 2HG2 THR 84 2HG2 THR 84 2.033 -2.601 8.921 627 3HG2 THR 84 3HG2 THR 84 1.807 -1.128 9.894 628 H VAL 85 H VAL 85 0.277 0.227 5.795 629 HA VAL 85 HA VAL 85 -1.877 -1.498 6.265 630 HB VAL 85 HB VAL 85 -1.576 1.025 4.631 631 1HG1 VAL 85 1HG1 VAL 85 -3.967 -0.710 5.150 632 2HG1 VAL 85 2HG1 VAL 85 -4.175 1.057 5.101 633 3HG1 VAL 85 3HG1 VAL 85 -3.511 0.199 3.690 634 1HG2 VAL 85 1HG2 VAL 85 -1.290 0.846 7.266 635 2HG2 VAL 85 2HG2 VAL 85 -2.147 2.211 6.511 636 3HG2 VAL 85 3HG2 VAL 85 -3.069 0.863 7.220 637 H TRP 86 H TRP 86 0.051 -0.709 3.327 638 HA TRP 86 HA TRP 86 -1.540 -1.998 1.468 639 1HB TRP 86 1HB TRP 86 1.362 -1.297 1.648 640 2HB TRP 86 2HB TRP 86 0.823 -2.349 0.354 641 HD1 TRP 86 HD1 TRP 86 0.219 1.260 1.656 642 HE1 TRP 86 HE1 TRP 86 -0.653 2.823 -0.283 643 HE3 TRP 86 HE3 TRP 86 -0.267 -2.428 -1.811 644 HZ2 TRP 86 HZ2 TRP 86 -1.431 2.353 -2.988 645 HZ3 TRP 86 HZ3 TRP 86 -1.090 -1.791 -4.077 646 HH2 TRP 86 HH2 TRP 86 -1.663 0.505 -4.688 647 H GLN 87 H GLN 87 1.149 -3.218 3.573 648 HA GLN 87 HA GLN 87 1.143 -5.788 2.574 649 1HB GLN 87 1HB GLN 87 2.981 -5.001 3.932 650 2HB GLN 87 2HB GLN 87 1.926 -4.657 5.288 651 1HG GLN 87 1HG GLN 87 1.705 -7.462 4.399 652 2HG GLN 87 2HG GLN 87 3.345 -7.044 4.854 653 1HE2 GLN 87 1HE2 GLN 87 3.701 -7.743 6.816 654 2HE2 GLN 87 2HE2 GLN 87 2.686 -7.537 8.204 655 H ASP 88 H ASP 88 -0.630 -4.332 5.379 656 HA ASP 88 HA ASP 88 -1.788 -6.652 6.264 657 1HB ASP 88 1HB ASP 88 -1.820 -4.070 7.075 658 2HB ASP 88 2HB ASP 88 -3.388 -4.098 6.293 659 H LEU 89 H LEU 89 -2.658 -4.351 3.644 660 HA LEU 89 HA LEU 89 -5.260 -5.206 3.176 661 1HB LEU 89 1HB LEU 89 -3.154 -3.753 1.667 662 2HB LEU 89 2HB LEU 89 -4.487 -4.413 0.740 663 HG LEU 89 HG LEU 89 -4.972 -2.681 3.162 664 1HD1 LEU 89 1HD1 LEU 89 -3.663 -1.850 0.772 665 2HD1 LEU 89 2HD1 LEU 89 -5.304 -1.159 0.776 666 3HD1 LEU 89 3HD1 LEU 89 -4.210 -0.864 2.149 667 1HD2 LEU 89 1HD2 LEU 89 -7.144 -2.509 2.446 668 2HD2 LEU 89 2HD2 LEU 89 -6.728 -2.808 0.741 669 3HD2 LEU 89 3HD2 LEU 89 -6.748 -4.157 1.902 670 H VAL 90 H VAL 90 -2.114 -6.325 1.769 671 HA VAL 90 HA VAL 90 -3.189 -8.204 0.045 672 HB VAL 90 HB VAL 90 -0.569 -8.277 1.554 673 1HG1 VAL 90 1HG1 VAL 90 -1.360 -9.562 -1.083 674 2HG1 VAL 90 2HG1 VAL 90 0.251 -9.614 -0.328 675 3HG1 VAL 90 3HG1 VAL 90 -1.128 -10.413 0.463 676 1HG2 VAL 90 1HG2 VAL 90 -1.517 -6.696 -0.805 677 2HG2 VAL 90 2HG2 VAL 90 -0.402 -6.242 0.507 678 3HG2 VAL 90 3HG2 VAL 90 0.157 -7.302 -0.809 679 H GLN 91 H GLN 91 -2.226 -8.468 3.520 680 HA GLN 91 HA GLN 91 -2.650 -11.171 3.751 681 1HB GLN 91 1HB GLN 91 -2.794 -8.870 5.722 682 2HB GLN 91 2HB GLN 91 -3.124 -10.510 6.244 683 1HG GLN 91 1HG GLN 91 -0.834 -11.046 4.970 684 2HG GLN 91 2HG GLN 91 -0.539 -9.335 5.207 685 1HE2 GLN 91 1HE2 GLN 91 0.399 -12.047 6.385 686 2HE2 GLN 91 2HE2 GLN 91 0.450 -11.772 8.094 687 H ASN 92 H ASN 92 -4.900 -8.545 4.904 688 HA ASN 92 HA ASN 92 -7.029 -10.452 4.899 689 1HB ASN 92 1HB ASN 92 -6.631 -7.602 5.812 690 2HB ASN 92 2HB ASN 92 -8.276 -8.099 5.467 691 1HD2 ASN 92 1HD2 ASN 92 -5.485 -8.513 7.487 692 2HD2 ASN 92 2HD2 ASN 92 -6.212 -9.461 8.741 693 H SER 93 H SER 93 -6.294 -10.419 2.316 694 HA SER 93 HA SER 93 -6.799 -8.504 0.597 695 1HB SER 93 1HB SER 93 -7.108 -10.157 -1.040 696 2HB SER 93 2HB SER 93 -6.293 -11.043 0.234 697 HG SER 93 HG SER 93 -8.027 -12.329 -0.328 698 HA PRO 94 HA PRO 94 -10.997 -7.457 1.458 699 1HB PRO 94 1HB PRO 94 -11.057 -5.120 0.043 700 2HB PRO 94 2HB PRO 94 -10.511 -5.221 1.705 701 1HG PRO 94 1HG PRO 94 -8.906 -4.910 -0.758 702 2HG PRO 94 2HG PRO 94 -8.442 -4.591 0.902 703 1HD PRO 94 1HD PRO 94 -7.698 -6.864 -0.681 704 2HD PRO 94 2HD PRO 94 -7.332 -6.601 1.012 705 HA PRO 95 HA PRO 95 -13.205 -8.725 -1.935 706 1HB PRO 95 1HB PRO 95 -15.617 -7.463 -1.690 707 2HB PRO 95 2HB PRO 95 -15.184 -8.891 -0.770 708 1HG PRO 95 1HG PRO 95 -15.328 -6.078 0.130 709 2HG PRO 95 2HG PRO 95 -15.319 -7.541 1.096 710 1HD PRO 95 1HD PRO 95 -13.124 -5.739 0.690 711 2HD PRO 95 2HD PRO 95 -13.084 -7.260 1.559 712 H TRP 96 H TRP 96 -12.764 -5.341 -1.540 713 HA TRP 96 HA TRP 96 -13.632 -4.752 -4.213 714 1HB TRP 96 1HB TRP 96 -12.607 -2.495 -3.632 715 2HB TRP 96 2HB TRP 96 -14.021 -3.016 -2.737 716 HD1 TRP 96 HD1 TRP 96 -13.612 -3.687 -0.103 717 HE1 TRP 96 HE1 TRP 96 -11.755 -3.087 1.672 718 HE3 TRP 96 HE3 TRP 96 -10.165 -2.077 -3.477 719 HZ2 TRP 96 HZ2 TRP 96 -9.111 -2.030 1.471 720 HZ3 TRP 96 HZ3 TRP 96 -7.971 -1.277 -2.603 721 HH2 TRP 96 HH2 TRP 96 -7.420 -1.238 -0.222 722 H ILE 97 H ILE 97 -10.941 -6.261 -2.783 723 HA ILE 97 HA ILE 97 -9.143 -5.300 -4.889 724 HB ILE 97 HB ILE 97 -8.766 -6.321 -2.121 725 1HG1 ILE 97 1HG1 ILE 97 -7.541 -4.131 -3.814 726 2HG1 ILE 97 2HG1 ILE 97 -8.652 -3.948 -2.471 727 1HG2 ILE 97 1HG2 ILE 97 -7.531 -7.976 -3.384 728 2HG2 ILE 97 2HG2 ILE 97 -6.722 -6.700 -4.325 729 3HG2 ILE 97 3HG2 ILE 97 -6.401 -6.859 -2.582 730 1HD1 ILE 97 1HD1 ILE 97 -5.750 -4.844 -2.395 731 2HD1 ILE 97 2HD1 ILE 97 -6.513 -3.485 -1.535 732 3HD1 ILE 97 3HD1 ILE 97 -6.853 -5.159 -1.035 733 H LYS 98 H LYS 98 -9.862 -8.384 -3.095 734 HA LYS 98 HA LYS 98 -9.978 -9.711 -5.692 735 1HB LYS 98 1HB LYS 98 -7.828 -9.981 -3.762 736 2HB LYS 98 2HB LYS 98 -8.647 -11.512 -3.992 737 1HG LYS 98 1HG LYS 98 -8.487 -10.977 -6.557 738 2HG LYS 98 2HG LYS 98 -7.303 -9.772 -6.090 739 1HD LYS 98 1HD LYS 98 -6.537 -12.089 -4.661 740 2HD LYS 98 2HD LYS 98 -7.023 -12.693 -6.233 741 1HE LYS 98 1HE LYS 98 -5.282 -11.645 -7.334 742 2HE LYS 98 2HE LYS 98 -5.340 -10.227 -6.306 743 1HZ LYS 98 1HZ LYS 98 -4.285 -11.509 -4.573 744 2HZ LYS 98 2HZ LYS 98 -4.240 -12.837 -5.522 745 3HZ LYS 98 3HZ LYS 98 -3.365 -11.517 -5.922 746 H SER 99 H SER 99 -11.303 -11.609 -5.707 747 HA SER 99 HA SER 99 -12.681 -12.127 -3.213 748 1HB SER 99 1HB SER 99 -14.884 -12.138 -4.422 749 2HB SER 99 2HB SER 99 -14.153 -10.548 -4.323 750 HG SER 99 HG SER 99 -14.715 -12.119 -6.565 751 H GLY 100 H GLY 100 -12.670 -14.317 -2.853 752 1HA GLY 100 1HA GLY 100 -12.776 -16.535 -3.262 753 2HA GLY 100 2HA GLY 100 -13.271 -16.197 -4.909 754 HA PRO 101 HA PRO 101 -8.528 -16.588 -4.598 755 1HB PRO 101 1HB PRO 101 -7.634 -18.355 -2.714 756 2HB PRO 101 2HB PRO 101 -7.645 -16.619 -2.472 757 1HG PRO 101 1HG PRO 101 -9.459 -18.660 -1.340 758 2HG PRO 101 2HG PRO 101 -9.179 -17.017 -0.797 759 1HD PRO 101 1HD PRO 101 -11.443 -17.974 -2.276 760 2HD PRO 101 2HD PRO 101 -11.107 -16.312 -1.834 761 H SER 102 H SER 102 -8.333 -17.504 -6.547 762 HA SER 102 HA SER 102 -8.260 -20.368 -6.481 763 1HB SER 102 1HB SER 102 -10.676 -19.772 -6.944 764 2HB SER 102 2HB SER 102 -10.156 -18.934 -8.393 765 HG SER 102 HG SER 102 -10.894 -21.258 -8.609 766 H SER 103 H SER 103 -6.019 -20.090 -7.011 767 HA SER 103 HA SER 103 -5.588 -19.678 -9.787 768 1HB SER 103 1HB SER 103 -5.512 -17.336 -8.627 769 2HB SER 103 2HB SER 103 -3.994 -17.875 -7.937 770 HG SER 103 HG SER 103 -3.099 -17.272 -9.778 771 H GLY 104 H GLY 104 -4.170 -21.293 -10.332 772 1HA GLY 104 1HA GLY 104 -1.796 -21.966 -9.889 773 2HA GLY 104 2HA GLY 104 -2.306 -22.225 -8.233
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