NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2876 | 1cou | 4396 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 -3.431 -0.997 -6.044 2 2H LYS 1 2H LYS 1 -4.630 -0.684 -7.144 3 3H LYS 1 3H LYS 1 -3.184 0.115 -7.225 4 HA LYS 1 HA LYS 1 -4.802 1.554 -6.339 5 1HB LYS 1 1HB LYS 1 -5.786 1.036 -4.114 6 2HB LYS 1 2HB LYS 1 -6.409 0.057 -5.447 7 1HG LYS 1 1HG LYS 1 -5.052 -1.851 -4.803 8 2HG LYS 1 2HG LYS 1 -4.237 -0.936 -3.539 9 1HD LYS 1 1HD LYS 1 -7.214 -1.634 -3.645 10 2HD LYS 1 2HD LYS 1 -5.992 -2.443 -2.660 11 1HE LYS 1 1HE LYS 1 -6.992 0.424 -2.339 12 2HE LYS 1 2HE LYS 1 -7.232 -0.934 -1.245 13 1HZ LYS 1 1HZ LYS 1 -4.863 -0.978 -0.874 14 2HZ LYS 1 2HZ LYS 1 -4.655 0.324 -1.866 15 3HZ LYS 1 3HZ LYS 1 -5.516 0.482 -0.470 16 H ALA 2 H ALA 2 -4.040 3.210 -5.092 17 HA ALA 2 HA ALA 2 -2.337 4.500 -4.436 18 1HB ALA 2 1HB ALA 2 -3.284 3.720 -2.283 19 2HB ALA 2 2HB ALA 2 -2.018 2.470 -2.207 20 3HB ALA 2 3HB ALA 2 -1.585 4.199 -2.185 21 H THR 3 H THR 3 -1.588 2.652 -6.459 22 HA THR 3 HA THR 3 1.385 2.538 -6.097 23 HB THR 3 HB THR 3 1.225 1.074 -8.123 24 HG1 THR 3 HG1 THR 3 -0.646 1.845 -8.930 25 1HG2 THR 3 1HG2 THR 3 1.255 -0.001 -5.885 26 2HG2 THR 3 2HG2 THR 3 -0.518 0.018 -5.860 27 3HG2 THR 3 3HG2 THR 3 0.334 -0.937 -7.081 28 H MET 4 H MET 4 0.829 4.996 -6.195 29 HA MET 4 HA MET 4 0.612 6.956 -7.266 30 1HB MET 4 1HB MET 4 2.393 5.821 -8.804 31 2HB MET 4 2HB MET 4 1.074 5.704 -9.976 32 1HG MET 4 1HG MET 4 2.189 7.742 -10.464 33 2HG MET 4 2HG MET 4 0.710 8.209 -9.633 34 1HE MET 4 1HE MET 4 4.293 6.949 -8.355 35 2HE MET 4 2HE MET 4 4.584 8.154 -9.631 36 3HE MET 4 3HE MET 4 4.998 8.525 -7.944 37 H GLN 5 H GLN 5 -1.582 5.188 -6.741 38 HA GLN 5 HA GLN 5 -3.736 6.247 -8.474 39 1HB GLN 5 1HB GLN 5 -3.290 3.286 -7.837 40 2HB GLN 5 2HB GLN 5 -4.741 3.972 -8.583 41 1HG GLN 5 1HG GLN 5 -3.381 4.742 -10.511 42 2HG GLN 5 2HG GLN 5 -1.959 3.952 -9.825 43 1HE2 GLN 5 2HE2 GLN 5 -2.457 1.454 -9.128 44 2HE2 GLN 5 1HE2 GLN 5 -3.340 0.602 -10.378 45 H CYS 6 H CYS 6 -3.370 7.414 -6.184 46 HA CYS 6 HA CYS 6 -4.475 5.935 -3.881 47 1HB CYS 6 1HB CYS 6 -3.489 8.776 -4.241 48 2HB CYS 6 2HB CYS 6 -4.174 8.172 -2.747 49 H GLY 7 H GLY 7 -6.094 7.923 -2.641 50 1HA GLY 7 1HA GLY 7 -8.563 7.375 -3.989 51 2HA GLY 7 2HA GLY 7 -8.317 8.300 -2.507 52 H GLU 8 H GLU 8 -7.396 8.751 -5.949 53 HA GLU 8 HA GLU 8 -7.702 10.295 -7.487 54 1HB GLU 8 1HB GLU 8 -10.274 10.493 -5.943 55 2HB GLU 8 2HB GLU 8 -10.023 11.297 -7.513 56 1HG GLU 8 1HG GLU 8 -9.545 9.101 -8.553 57 2HG GLU 8 2HG GLU 8 -9.757 8.293 -6.992 58 H ASN 9 H ASN 9 -8.988 12.010 -4.600 59 HA ASN 9 HA ASN 9 -7.557 14.482 -5.416 60 1HB ASN 9 1HB ASN 9 -8.477 15.423 -3.293 61 2HB ASN 9 2HB ASN 9 -9.616 15.030 -4.576 62 1HD2 ASN 9 2HD2 ASN 9 -8.162 13.154 -1.856 63 2HD2 ASN 9 1HD2 ASN 9 -9.723 12.758 -1.120 64 H GLU 10 H GLU 10 -5.671 13.176 -5.554 65 HA GLU 10 HA GLU 10 -4.194 12.751 -2.995 66 1HB GLU 10 1HB GLU 10 -3.025 10.986 -4.105 67 2HB GLU 10 2HB GLU 10 -4.766 10.742 -4.321 68 1HG GLU 10 1HG GLU 10 -4.401 11.957 -6.642 69 2HG GLU 10 2HG GLU 10 -2.695 11.609 -6.372 70 H LYS 11 H LYS 11 -1.712 12.780 -3.543 71 HA LYS 11 HA LYS 11 -0.928 14.845 -5.493 72 1HB LYS 11 1HB LYS 11 -1.428 16.095 -3.460 73 2HB LYS 11 2HB LYS 11 -0.527 14.919 -2.476 74 1HG LYS 11 1HG LYS 11 0.713 16.972 -2.678 75 2HG LYS 11 2HG LYS 11 1.573 15.660 -3.463 76 1HD LYS 11 1HD LYS 11 0.637 16.507 -5.698 77 2HD LYS 11 2HD LYS 11 -0.114 17.830 -4.794 78 1HE LYS 11 1HE LYS 11 1.943 18.676 -5.716 79 2HE LYS 11 2HE LYS 11 2.212 18.473 -3.977 80 1HZ LYS 11 1HZ LYS 11 3.272 16.335 -4.522 81 2HZ LYS 11 2HZ LYS 11 3.073 16.654 -6.122 82 3HZ LYS 11 3HZ LYS 11 4.037 17.625 -5.208 83 H TYR 12 H TYR 12 1.170 14.427 -6.247 84 HA TYR 12 HA TYR 12 2.444 11.895 -5.736 85 1HB TYR 12 1HB TYR 12 2.857 12.983 -7.828 86 2HB TYR 12 2HB TYR 12 3.304 14.495 -7.035 87 HD1 TYR 12 HD1 TYR 12 4.408 10.963 -7.556 88 HD2 TYR 12 HD2 TYR 12 5.527 14.903 -6.223 89 HE1 TYR 12 HE1 TYR 12 6.709 10.161 -7.122 90 HE2 TYR 12 HE2 TYR 12 7.799 14.085 -5.707 91 HH TYR 12 HH TYR 12 9.064 12.173 -5.383 92 H ASP 13 H ASP 13 4.009 11.371 -4.176 93 HA ASP 13 HA ASP 13 5.424 13.578 -2.831 94 1HB ASP 13 1HB ASP 13 3.495 13.191 -1.343 95 2HB ASP 13 2HB ASP 13 3.860 11.456 -1.331 96 H SER 14 H SER 14 7.488 13.077 -2.442 97 HA SER 14 HA SER 14 8.589 10.559 -3.345 98 1HB SER 14 1HB SER 14 9.917 12.847 -1.864 99 2HB SER 14 2HB SER 14 10.712 11.586 -2.820 100 HG SER 14 HG SER 14 10.359 13.639 -3.927 101 H CYS 15 H CYS 15 6.753 9.912 -1.265 102 HA CYS 15 HA CYS 15 8.477 8.547 0.536 103 1HB CYS 15 1HB CYS 15 8.417 10.983 1.513 104 2HB CYS 15 2HB CYS 15 6.846 10.519 2.110 105 H GLY 16 H GLY 16 7.127 6.958 -0.583 106 1HA GLY 16 1HA GLY 16 5.858 5.138 -0.031 107 2HA GLY 16 2HA GLY 16 5.231 5.980 1.393 108 H SER 17 H SER 17 3.541 4.412 0.005 109 HA SER 17 HA SER 17 1.857 5.855 -1.866 110 1HB SER 17 1HB SER 17 0.502 3.706 -1.332 111 2HB SER 17 2HB SER 17 2.052 3.554 -2.173 112 HG SER 17 HG SER 17 1.962 2.097 -0.435 113 H LYS 18 H LYS 18 2.384 6.411 1.335 114 HA LYS 18 HA LYS 18 -0.375 7.252 1.942 115 1HB LYS 18 1HB LYS 18 1.072 5.181 3.666 116 2HB LYS 18 2HB LYS 18 -0.451 5.999 4.041 117 1HG LYS 18 1HG LYS 18 -1.472 4.929 2.008 118 2HG LYS 18 2HG LYS 18 0.039 4.055 1.750 119 1HD LYS 18 1HD LYS 18 -1.477 2.567 2.841 120 2HD LYS 18 2HD LYS 18 -0.143 2.944 3.931 121 1HE LYS 18 1HE LYS 18 -2.334 2.871 5.086 122 2HE LYS 18 2HE LYS 18 -1.584 4.462 5.231 123 1HZ LYS 18 1HZ LYS 18 -3.638 3.738 3.256 124 2HZ LYS 18 2HZ LYS 18 -3.954 4.522 4.665 125 3HZ LYS 18 3HZ LYS 18 -3.021 5.244 3.511 126 H GLU 19 H GLU 19 2.964 6.855 3.121 127 HA GLU 19 HA GLU 19 4.235 7.836 4.643 128 1HB GLU 19 1HB GLU 19 3.569 9.742 2.853 129 2HB GLU 19 2HB GLU 19 2.950 10.524 4.298 130 1HG GLU 19 1HG GLU 19 5.771 9.488 3.818 131 2HG GLU 19 2HG GLU 19 5.266 11.179 3.704 132 H CYS 20 H CYS 20 0.804 8.066 5.296 133 HA CYS 20 HA CYS 20 -0.449 8.587 7.051 134 1HB CYS 20 1HB CYS 20 1.987 7.431 8.430 135 2HB CYS 20 2HB CYS 20 0.569 7.916 9.350 136 H ASP 21 H ASP 21 1.147 10.626 5.834 137 HA ASP 21 HA ASP 21 2.376 12.383 7.701 138 1HB ASP 21 1HB ASP 21 2.867 12.608 5.342 139 2HB ASP 21 2HB ASP 21 1.166 12.808 4.930 140 H LYS 22 H LYS 22 -0.731 12.989 5.986 141 HA LYS 22 HA LYS 22 -1.872 14.186 8.476 142 1HB LYS 22 1HB LYS 22 -2.868 14.184 5.603 143 2HB LYS 22 2HB LYS 22 -3.697 14.902 7.003 144 1HG LYS 22 1HG LYS 22 -1.792 16.396 7.423 145 2HG LYS 22 2HG LYS 22 -0.938 15.707 6.026 146 1HD LYS 22 1HD LYS 22 -2.714 16.477 4.510 147 2HD LYS 22 2HD LYS 22 -3.670 17.065 5.878 148 1HE LYS 22 1HE LYS 22 -2.491 18.910 4.738 149 2HE LYS 22 2HE LYS 22 -1.973 18.751 6.423 150 1HZ LYS 22 1HZ LYS 22 -0.524 17.629 4.131 151 2HZ LYS 22 2HZ LYS 22 -0.171 19.069 4.849 152 3HZ LYS 22 3HZ LYS 22 -0.012 17.659 5.696 153 H LYS 23 H LYS 23 -1.477 11.704 9.142 154 HA LYS 23 HA LYS 23 -3.585 9.873 8.290 155 1HB LYS 23 1HB LYS 23 -1.493 9.066 9.115 156 2HB LYS 23 2HB LYS 23 -1.684 9.885 10.665 157 1HG LYS 23 1HG LYS 23 -3.802 7.937 9.742 158 2HG LYS 23 2HG LYS 23 -2.255 7.295 10.309 159 1HD LYS 23 1HD LYS 23 -2.468 8.330 12.464 160 2HD LYS 23 2HD LYS 23 -3.848 9.292 11.949 161 1HE LYS 23 1HE LYS 23 -5.149 7.156 11.558 162 2HE LYS 23 2HE LYS 23 -3.771 6.247 12.214 163 1HZ LYS 23 1HZ LYS 23 -5.342 8.294 13.608 164 2HZ LYS 23 2HZ LYS 23 -5.480 6.678 13.838 165 3HZ LYS 23 3HZ LYS 23 -4.080 7.438 14.272 166 H CYS 24 H CYS 24 -5.691 9.810 9.072 167 HA CYS 24 HA CYS 24 -6.759 11.910 10.651 168 1HB CYS 24 1HB CYS 24 -8.193 10.640 9.256 169 2HB CYS 24 2HB CYS 24 -7.793 9.124 10.090 170 H LYS 25 H LYS 25 -5.365 12.161 12.335 171 HA LYS 25 HA LYS 25 -4.465 10.344 14.163 172 1HB LYS 25 1HB LYS 25 -3.880 12.417 15.516 173 2HB LYS 25 2HB LYS 25 -3.259 12.240 13.881 174 1HG LYS 25 1HG LYS 25 -3.917 14.532 14.375 175 2HG LYS 25 2HG LYS 25 -4.812 13.892 13.006 176 1HD LYS 25 1HD LYS 25 -6.779 13.474 14.550 177 2HD LYS 25 2HD LYS 25 -5.805 14.088 15.891 178 1HE LYS 25 1HE LYS 25 -7.321 15.819 15.125 179 2HE LYS 25 2HE LYS 25 -5.656 16.307 14.779 180 1HZ LYS 25 1HZ LYS 25 -7.538 15.124 12.851 181 2HZ LYS 25 2HZ LYS 25 -7.135 16.720 12.947 182 3HZ LYS 25 3HZ LYS 25 -5.998 15.612 12.515 183 H TYR 26 H TYR 26 -6.933 9.357 14.429 184 HA TYR 26 HA TYR 26 -7.168 9.786 17.324 185 1HB TYR 26 1HB TYR 26 -9.499 9.764 17.462 186 2HB TYR 26 2HB TYR 26 -9.067 11.053 16.354 187 HD1 TYR 26 HD1 TYR 26 -10.237 7.470 16.468 188 HD2 TYR 26 HD2 TYR 26 -10.327 11.234 14.370 189 HE1 TYR 26 HE1 TYR 26 -11.976 6.585 14.940 190 HE2 TYR 26 HE2 TYR 26 -12.176 10.378 12.949 191 HH TYR 26 HH TYR 26 -13.429 8.549 12.347 192 H ASP 27 H ASP 27 -7.451 8.018 18.495 193 HA ASP 27 HA ASP 27 -6.868 5.524 17.041 194 1HB ASP 27 1HB ASP 27 -5.475 6.038 18.941 195 2HB ASP 27 2HB ASP 27 -6.886 6.020 20.011 196 H GLY 28 H GLY 28 -8.993 5.047 16.041 197 1HA GLY 28 1HA GLY 28 -10.619 3.397 16.089 198 2HA GLY 28 2HA GLY 28 -10.454 3.269 17.845 199 H VAL 29 H VAL 29 -11.036 5.677 18.778 200 HA VAL 29 HA VAL 29 -13.694 6.414 17.674 201 HB VAL 29 HB VAL 29 -14.007 4.944 19.595 202 1HG1 VAL 29 1HG1 VAL 29 -11.965 5.563 20.908 203 2HG1 VAL 29 2HG1 VAL 29 -12.725 7.130 21.274 204 3HG1 VAL 29 3HG1 VAL 29 -13.463 5.630 21.853 205 1HG2 VAL 29 1HG2 VAL 29 -15.667 6.664 19.018 206 2HG2 VAL 29 2HG2 VAL 29 -15.607 6.382 20.767 207 3HG2 VAL 29 3HG2 VAL 29 -14.849 7.830 20.078 208 H GLU 30 H GLU 30 -13.852 8.467 17.270 209 HA GLU 30 HA GLU 30 -11.976 10.347 17.123 210 1HB GLU 30 1HB GLU 30 -13.760 12.033 17.102 211 2HB GLU 30 2HB GLU 30 -14.126 10.594 16.132 212 1HG GLU 30 1HG GLU 30 -15.565 9.734 18.010 213 2HG GLU 30 2HG GLU 30 -15.272 11.250 18.882 214 H GLU 31 H GLU 31 -13.698 9.716 20.157 215 HA GLU 31 HA GLU 31 -12.862 11.958 21.642 216 1HB GLU 31 1HB GLU 31 -13.092 9.082 22.647 217 2HB GLU 31 2HB GLU 31 -13.129 10.551 23.622 218 1HG GLU 31 1HG GLU 31 -15.233 9.713 21.565 219 2HG GLU 31 2HG GLU 31 -15.389 9.691 23.319 220 H GLU 32 H GLU 32 -11.065 8.963 20.849 221 HA GLU 32 HA GLU 32 -8.753 9.784 22.490 222 1HB GLU 32 1HB GLU 32 -9.112 7.420 20.601 223 2HB GLU 32 2HB GLU 32 -7.789 7.670 21.752 224 1HG GLU 32 1HG GLU 32 -10.722 7.189 22.431 225 2HG GLU 32 2HG GLU 32 -9.378 6.072 22.667 226 H ASP 33 H ASP 33 -9.152 11.817 20.901 227 HA ASP 33 HA ASP 33 -7.604 11.670 18.415 228 1HB ASP 33 1HB ASP 33 -9.576 13.217 18.869 229 2HB ASP 33 2HB ASP 33 -8.507 14.157 19.911 230 H ASP 34 H ASP 34 -5.985 10.526 20.009 231 HA ASP 34 HA ASP 34 -4.302 12.461 21.550 232 1HB ASP 34 1HB ASP 34 -5.269 10.663 22.841 233 2HB ASP 34 2HB ASP 34 -4.642 9.443 21.723 234 H GLU 35 H GLU 35 -3.816 9.499 19.553 235 HA GLU 35 HA GLU 35 -1.030 9.760 19.580 236 1HB GLU 35 1HB GLU 35 -1.017 8.112 17.743 237 2HB GLU 35 2HB GLU 35 -2.003 7.635 19.129 238 1HG GLU 35 1HG GLU 35 -4.068 8.161 17.914 239 2HG GLU 35 2HG GLU 35 -3.151 8.842 16.564 240 H GLU 36 H GLU 36 0.443 10.895 18.449 241 HA GLU 36 HA GLU 36 -0.249 12.917 16.577 242 1HB GLU 36 1HB GLU 36 2.427 11.455 16.789 243 2HB GLU 36 2HB GLU 36 2.129 13.061 16.133 244 1HG GLU 36 1HG GLU 36 2.817 13.753 18.173 245 2HG GLU 36 2HG GLU 36 1.147 13.448 18.654 246 HA PRO 37 HA PRO 37 -0.523 10.235 12.917 247 1HB PRO 37 1HB PRO 37 -0.142 11.973 10.893 248 2HB PRO 37 2HB PRO 37 -1.607 12.040 11.912 249 1HG PRO 37 1HG PRO 37 0.907 13.714 12.196 250 2HG PRO 37 2HG PRO 37 -0.784 14.293 12.137 251 1HD PRO 37 1HD PRO 37 0.544 13.864 14.496 252 2HD PRO 37 2HD PRO 37 -1.204 13.529 14.347 253 H ASN 38 H ASN 38 0.992 9.895 10.855 254 HA ASN 38 HA ASN 38 2.866 8.891 10.190 255 1HB ASN 38 1HB ASN 38 3.440 11.222 9.774 256 2HB ASN 38 2HB ASN 38 4.166 11.365 11.379 257 1HD2 ASN 38 2HD2 ASN 38 4.396 9.441 8.288 258 2HD2 ASN 38 1HD2 ASN 38 6.116 9.240 8.421 259 H VAL 39 H VAL 39 3.969 10.183 13.331 260 HA VAL 39 HA VAL 39 5.995 8.508 13.936 261 HB VAL 39 HB VAL 39 3.930 9.658 15.841 262 1HG1 VAL 39 1HG1 VAL 39 6.696 8.512 16.423 263 2HG1 VAL 39 2HG1 VAL 39 5.723 9.468 17.560 264 3HG1 VAL 39 3HG1 VAL 39 5.149 7.885 17.035 265 1HG2 VAL 39 1HG2 VAL 39 6.666 10.636 14.929 266 2HG2 VAL 39 2HG2 VAL 39 5.103 11.357 14.491 267 3HG2 VAL 39 3HG2 VAL 39 5.650 11.401 16.167 268 HA PRO 40 HA PRO 40 3.502 4.991 15.962 269 1HB PRO 40 1HB PRO 40 0.819 4.663 15.487 270 2HB PRO 40 2HB PRO 40 1.461 5.689 16.799 271 1HG PRO 40 1HG PRO 40 0.601 6.598 14.025 272 2HG PRO 40 2HG PRO 40 0.081 7.264 15.597 273 1HD PRO 40 1HD PRO 40 2.059 8.427 14.246 274 2HD PRO 40 2HD PRO 40 2.223 8.197 16.008 275 H CYS 41 H CYS 41 2.755 6.080 12.700 276 HA CYS 41 HA CYS 41 2.055 3.374 11.731 277 1HB CYS 41 1HB CYS 41 0.553 5.036 11.039 278 2HB CYS 41 2HB CYS 41 1.841 6.188 10.683 279 H LEU 42 H LEU 42 4.375 5.980 11.005 280 HA LEU 42 HA LEU 42 6.059 6.045 9.395 281 1HB LEU 42 1HB LEU 42 6.895 4.134 11.595 282 2HB LEU 42 2HB LEU 42 8.043 4.802 10.431 283 HG LEU 42 HG LEU 42 6.305 6.568 12.184 284 1HD1 LEU 42 1HD1 LEU 42 7.740 5.124 13.597 285 2HD1 LEU 42 2HD1 LEU 42 9.165 5.619 12.657 286 3HD1 LEU 42 3HD1 LEU 42 8.282 6.810 13.638 287 1HD2 LEU 42 1HD2 LEU 42 8.865 7.107 10.611 288 2HD2 LEU 42 2HD2 LEU 42 7.248 7.715 10.202 289 3HD2 LEU 42 3HD2 LEU 42 8.044 8.262 11.679 290 H VAL 43 H VAL 43 4.927 5.057 7.577 291 HA VAL 43 HA VAL 43 5.349 2.274 6.940 292 HB VAL 43 HB VAL 43 4.981 3.068 4.538 293 1HG1 VAL 43 1HG1 VAL 43 3.263 1.991 5.900 294 2HG1 VAL 43 2HG1 VAL 43 2.853 3.546 6.650 295 3HG1 VAL 43 3HG1 VAL 43 2.557 3.286 4.919 296 1HG2 VAL 43 1HG2 VAL 43 5.522 5.523 4.925 297 2HG2 VAL 43 2HG2 VAL 43 3.961 5.201 4.165 298 3HG2 VAL 43 3HG2 VAL 43 4.027 5.638 5.877 299 H ARG 44 H ARG 44 7.424 1.612 7.282 300 HA ARG 44 HA ARG 44 9.812 2.832 6.681 301 1HB ARG 44 1HB ARG 44 9.105 -0.129 6.435 302 2HB ARG 44 2HB ARG 44 10.737 0.525 6.354 303 1HG ARG 44 1HG ARG 44 10.898 0.227 8.523 304 2HG ARG 44 2HG ARG 44 9.865 1.639 8.741 305 1HD ARG 44 1HD ARG 44 8.812 -1.216 8.442 306 2HD ARG 44 2HD ARG 44 9.251 -0.506 10.003 307 HE ARG 44 HE ARG 44 7.583 1.391 9.183 308 1HH1 ARG 44 1HH1 ARG 44 7.146 -2.130 9.281 309 2HH1 ARG 44 2HH1 ARG 44 5.437 -2.013 9.602 310 1HH2 ARG 44 1HH2 ARG 44 5.439 1.538 9.649 311 2HH2 ARG 44 2HH2 ARG 44 4.441 0.113 9.815 312 H VAL 45 H VAL 45 7.763 1.027 4.417 313 HA VAL 45 HA VAL 45 9.605 1.229 2.178 314 HB VAL 45 HB VAL 45 7.646 0.372 0.873 315 1HG1 VAL 45 1HG1 VAL 45 9.302 -1.136 1.899 316 2HG1 VAL 45 2HG1 VAL 45 8.344 -1.197 3.393 317 3HG1 VAL 45 3HG1 VAL 45 7.685 -1.858 1.884 318 1HG2 VAL 45 1HG2 VAL 45 5.799 1.332 2.315 319 2HG2 VAL 45 2HG2 VAL 45 5.646 -0.394 1.971 320 3HG2 VAL 45 3HG2 VAL 45 6.207 0.135 3.560 321 H CYS 46 H CYS 46 9.661 3.727 2.981 322 HA CYS 46 HA CYS 46 7.509 5.313 1.857 323 1HB CYS 46 1HB CYS 46 9.268 5.696 3.909 324 2HB CYS 46 2HB CYS 46 9.951 6.769 2.707 325 H HIS 47 H HIS 47 8.277 3.883 -0.245 326 HA HIS 47 HA HIS 47 10.346 5.215 -1.857 327 1HB HIS 47 1HB HIS 47 9.619 3.737 -3.640 328 2HB HIS 47 2HB HIS 47 9.875 2.812 -2.159 329 HD1 HIS 47 HD1 HIS 47 6.870 4.314 -4.167 330 HD2 HIS 47 HD2 HIS 47 7.865 1.331 -1.350 331 HE1 HIS 47 HE1 HIS 47 4.775 2.886 -3.803 332 H GLN 48 H GLN 48 9.893 6.717 -3.557 333 HA GLN 48 HA GLN 48 7.785 8.471 -3.235 334 1HB GLN 48 1HB GLN 48 8.256 9.300 -5.443 335 2HB GLN 48 2HB GLN 48 9.782 8.939 -4.607 336 1HG GLN 48 1HG GLN 48 9.793 6.718 -5.890 337 2HG GLN 48 2HG GLN 48 8.441 7.347 -6.841 338 1HE2 GLN 48 2HE2 GLN 48 9.490 10.196 -6.877 339 2HE2 GLN 48 1HE2 GLN 48 10.842 10.095 -7.988 340 H ASP 49 H ASP 49 5.696 8.778 -4.039 341 HA ASP 49 HA ASP 49 4.470 7.079 -5.968 342 1HB ASP 49 1HB ASP 49 4.806 5.554 -3.793 343 2HB ASP 49 2HB ASP 49 3.469 6.501 -3.186 344 H CYS 50 H CYS 50 1.812 7.238 -4.628 345 HA CYS 50 HA CYS 50 1.294 10.164 -4.680 346 1HB CYS 50 1HB CYS 50 -1.067 9.510 -4.958 347 2HB CYS 50 2HB CYS 50 -0.056 8.866 -6.247 348 H VAL 51 H VAL 51 0.079 11.019 -2.921 349 HA VAL 51 HA VAL 51 -0.505 9.313 -0.585 350 HB VAL 51 HB VAL 51 1.255 11.815 -0.612 351 1HG1 VAL 51 1HG1 VAL 51 -0.090 10.469 1.759 352 2HG1 VAL 51 2HG1 VAL 51 1.300 11.567 1.900 353 3HG1 VAL 51 3HG1 VAL 51 -0.217 12.169 1.249 354 1HG2 VAL 51 1HG2 VAL 51 1.705 8.998 0.468 355 2HG2 VAL 51 2HG2 VAL 51 2.483 9.703 -0.960 356 3HG2 VAL 51 3HG2 VAL 51 2.836 10.353 0.638 357 H CYS 52 H CYS 52 -2.119 10.339 0.737 358 HA CYS 52 HA CYS 52 -4.241 11.751 -0.448 359 1HB CYS 52 1HB CYS 52 -4.844 10.795 1.471 360 2HB CYS 52 2HB CYS 52 -3.306 11.084 2.283 361 H GLU 53 H GLU 53 -4.593 13.726 -1.084 362 HA GLU 53 HA GLU 53 -2.606 15.500 -1.647 363 1HB GLU 53 1HB GLU 53 -4.785 15.441 -2.710 364 2HB GLU 53 2HB GLU 53 -5.566 16.046 -1.237 365 1HG GLU 53 1HG GLU 53 -4.342 18.193 -1.491 366 2HG GLU 53 2HG GLU 53 -3.494 17.545 -2.910 367 H GLU 54 H GLU 54 -1.611 17.142 -0.753 368 HA GLU 54 HA GLU 54 -1.545 17.602 2.047 369 1HB GLU 54 1HB GLU 54 0.276 17.915 0.264 370 2HB GLU 54 2HB GLU 54 -0.496 19.449 -0.155 371 1HG GLU 54 1HG GLU 54 0.600 18.671 2.588 372 2HG GLU 54 2HG GLU 54 1.461 19.630 1.386 373 H GLY 55 H GLY 55 -3.793 17.869 2.402 374 1HA GLY 55 1HA GLY 55 -4.814 20.573 2.594 375 2HA GLY 55 2HA GLY 55 -5.503 19.679 1.222 376 H PHE 56 H PHE 56 -5.504 16.992 2.430 377 HA PHE 56 HA PHE 56 -7.427 17.394 4.681 378 1HB PHE 56 1HB PHE 56 -8.078 15.348 2.602 379 2HB PHE 56 2HB PHE 56 -9.100 16.253 3.692 380 HD1 PHE 56 HD1 PHE 56 -9.906 18.509 3.154 381 HD2 PHE 56 HD2 PHE 56 -7.359 16.344 0.431 382 HE1 PHE 56 HE1 PHE 56 -10.492 20.093 1.335 383 HE2 PHE 56 HE2 PHE 56 -7.991 17.896 -1.394 384 HZ PHE 56 HZ PHE 56 -9.542 19.782 -0.942 385 H TYR 57 H TYR 57 -8.080 14.861 5.290 386 HA TYR 57 HA TYR 57 -5.461 13.736 6.131 387 1HB TYR 57 1HB TYR 57 -8.210 13.745 7.432 388 2HB TYR 57 2HB TYR 57 -6.862 12.764 7.987 389 HD1 TYR 57 HD1 TYR 57 -8.000 16.297 7.535 390 HD2 TYR 57 HD2 TYR 57 -5.133 13.645 9.364 391 HE1 TYR 57 HE1 TYR 57 -7.185 18.153 8.951 392 HE2 TYR 57 HE2 TYR 57 -4.309 15.509 10.771 393 HH TYR 57 HH TYR 57 -5.694 18.796 10.597 394 H ARG 58 H ARG 58 -5.033 11.602 5.939 395 HA ARG 58 HA ARG 58 -6.872 10.072 4.202 396 1HB ARG 58 1HB ARG 58 -5.386 8.176 4.514 397 2HB ARG 58 2HB ARG 58 -4.769 9.547 3.592 398 1HG ARG 58 1HG ARG 58 -2.894 9.396 4.722 399 2HG ARG 58 2HG ARG 58 -3.734 9.954 6.163 400 1HD ARG 58 1HD ARG 58 -3.419 7.056 5.221 401 2HD ARG 58 2HD ARG 58 -2.468 7.819 6.506 402 HE ARG 58 HE ARG 58 -5.138 8.142 7.240 403 1HH1 ARG 58 1HH1 ARG 58 -2.905 5.463 6.747 404 2HH1 ARG 58 2HH1 ARG 58 -3.792 4.351 7.763 405 1HH2 ARG 58 1HH2 ARG 58 -6.327 6.703 8.557 406 2HH2 ARG 58 2HH2 ARG 58 -5.648 5.172 8.995 407 H ASN 59 H ASN 59 -8.669 9.570 5.130 408 HA ASN 59 HA ASN 59 -9.221 8.972 7.818 409 1HB ASN 59 1HB ASN 59 -11.098 7.627 6.996 410 2HB ASN 59 2HB ASN 59 -11.015 9.233 6.266 411 1HD2 ASN 59 2HD2 ASN 59 -12.618 7.319 5.117 412 2HD2 ASN 59 1HD2 ASN 59 -11.925 6.847 3.569 413 H LYS 60 H LYS 60 -8.457 6.574 5.272 414 HA LYS 60 HA LYS 60 -7.222 4.679 7.153 415 1HB LYS 60 1HB LYS 60 -8.890 2.915 6.217 416 2HB LYS 60 2HB LYS 60 -9.313 3.913 7.602 417 1HG LYS 60 1HG LYS 60 -10.823 5.256 6.412 418 2HG LYS 60 2HG LYS 60 -10.228 4.775 4.827 419 1HD LYS 60 1HD LYS 60 -12.347 3.706 5.217 420 2HD LYS 60 2HD LYS 60 -11.083 2.474 5.196 421 1HE LYS 60 1HE LYS 60 -12.676 1.998 6.971 422 2HE LYS 60 2HE LYS 60 -11.126 2.411 7.706 423 1HZ LYS 60 1HZ LYS 60 -13.428 4.224 7.399 424 2HZ LYS 60 2HZ LYS 60 -12.969 3.457 8.785 425 3HZ LYS 60 3HZ LYS 60 -11.991 4.604 8.116 426 H ASP 61 H ASP 61 -8.736 3.835 4.100 427 HA ASP 61 HA ASP 61 -6.185 2.938 3.071 428 1HB ASP 61 1HB ASP 61 -8.274 1.650 2.806 429 2HB ASP 61 2HB ASP 61 -8.962 2.954 1.820 430 H ASP 62 H ASP 62 -5.627 5.419 3.334 431 HA ASP 62 HA ASP 62 -5.229 7.466 2.508 432 1HB ASP 62 1HB ASP 62 -3.552 5.869 1.440 433 2HB ASP 62 2HB ASP 62 -4.446 6.106 -0.065 434 H LYS 63 H LYS 63 -7.922 7.249 2.442 435 HA LYS 63 HA LYS 63 -8.720 8.563 -0.115 436 1HB LYS 63 1HB LYS 63 -10.655 8.070 2.115 437 2HB LYS 63 2HB LYS 63 -10.925 8.233 0.408 438 1HG LYS 63 1HG LYS 63 -9.684 5.829 1.835 439 2HG LYS 63 2HG LYS 63 -11.320 5.932 1.208 440 1HD LYS 63 1HD LYS 63 -8.819 6.091 -0.544 441 2HD LYS 63 2HD LYS 63 -9.781 4.640 -0.263 442 1HE LYS 63 1HE LYS 63 -11.789 5.848 -1.217 443 2HE LYS 63 2HE LYS 63 -10.721 7.204 -1.630 444 1HZ LYS 63 1HZ LYS 63 -9.437 5.684 -2.962 445 2HZ LYS 63 2HZ LYS 63 -10.465 4.450 -2.604 446 3HZ LYS 63 3HZ LYS 63 -11.006 5.746 -3.465 447 H CYS 64 H CYS 64 -7.824 10.584 0.042 448 HA CYS 64 HA CYS 64 -7.552 12.024 2.499 449 1HB CYS 64 1HB CYS 64 -6.608 12.375 -0.052 450 2HB CYS 64 2HB CYS 64 -7.780 13.690 0.082 451 H VAL 65 H VAL 65 -9.206 12.731 3.723 452 HA VAL 65 HA VAL 65 -11.435 14.220 2.504 453 HB VAL 65 HB VAL 65 -13.060 13.054 3.923 454 1HG1 VAL 65 1HG1 VAL 65 -12.778 12.344 1.559 455 2HG1 VAL 65 2HG1 VAL 65 -11.687 11.046 2.099 456 3HG1 VAL 65 3HG1 VAL 65 -13.380 11.054 2.615 457 1HG2 VAL 65 1HG2 VAL 65 -10.822 11.043 4.495 458 2HG2 VAL 65 2HG2 VAL 65 -11.565 12.127 5.684 459 3HG2 VAL 65 3HG2 VAL 65 -12.519 10.839 4.938 460 H SER 66 H SER 66 -12.493 15.567 4.300 461 HA SER 66 HA SER 66 -10.417 16.676 5.966 462 1HB SER 66 1HB SER 66 -12.304 18.063 5.312 463 2HB SER 66 2HB SER 66 -13.453 16.959 6.098 464 HG SER 66 HG SER 66 -12.848 18.840 7.369 465 H ALA 67 H ALA 67 -10.254 16.571 8.299 466 HA ALA 67 HA ALA 67 -10.600 14.026 9.554 467 1HB ALA 67 1HB ALA 67 -10.390 16.800 10.806 468 2HB ALA 67 2HB ALA 67 -10.224 15.252 11.663 469 3HB ALA 67 3HB ALA 67 -9.037 15.705 10.431 470 H GLU 68 H GLU 68 -12.661 16.891 9.176 471 HA GLU 68 HA GLU 68 -14.814 16.319 10.887 472 1HB GLU 68 1HB GLU 68 -14.845 17.438 8.054 473 2HB GLU 68 2HB GLU 68 -16.169 17.566 9.214 474 1HG GLU 68 1HG GLU 68 -14.884 18.966 10.696 475 2HG GLU 68 2HG GLU 68 -13.389 18.709 9.791 476 H ASP 69 H ASP 69 -14.029 14.928 7.671 477 HA ASP 69 HA ASP 69 -16.505 13.386 7.487 478 1HB ASP 69 1HB ASP 69 -15.176 14.064 5.460 479 2HB ASP 69 2HB ASP 69 -13.864 13.003 6.017 480 H CYS 70 H CYS 70 -13.060 12.800 8.309 481 HA CYS 70 HA CYS 70 -13.187 10.043 8.711 482 1HB CYS 70 1HB CYS 70 -11.075 11.357 8.733 483 2HB CYS 70 2HB CYS 70 -11.531 11.973 10.336 484 H GLU 71 H GLU 71 -13.906 12.627 11.091 485 HA GLU 71 HA GLU 71 -14.471 10.959 13.326 486 1HB GLU 71 1HB GLU 71 -15.330 13.767 12.540 487 2HB GLU 71 2HB GLU 71 -15.996 12.958 13.959 488 1HG GLU 71 1HG GLU 71 -14.237 14.200 14.824 489 2HG GLU 71 2HG GLU 71 -13.642 12.544 14.793 490 H LEU 72 H LEU 72 -16.321 11.298 10.425 491 HA LEU 72 HA LEU 72 -18.796 10.202 11.714 492 1HB LEU 72 1HB LEU 72 -18.341 11.184 8.871 493 2HB LEU 72 2HB LEU 72 -19.868 10.642 9.568 494 HG LEU 72 HG LEU 72 -18.289 13.087 10.499 495 1HD1 LEU 72 1HD1 LEU 72 -19.204 13.359 8.228 496 2HD1 LEU 72 2HD1 LEU 72 -20.816 12.887 8.813 497 3HD1 LEU 72 3HD1 LEU 72 -20.057 14.386 9.394 498 1HD2 LEU 72 1HD2 LEU 72 -21.056 12.062 11.272 499 2HD2 LEU 72 2HD2 LEU 72 -19.638 12.200 12.338 500 3HD2 LEU 72 3HD2 LEU 72 -20.403 13.658 11.699 501 H ASP 73 H ASP 73 -16.336 9.665 9.224 502 HA ASP 73 HA ASP 73 -16.955 7.066 8.422 503 1HB ASP 73 1HB ASP 73 -15.085 8.760 7.654 504 2HB ASP 73 2HB ASP 73 -14.124 8.011 8.919 505 H ASN 74 H ASN 74 -15.872 8.177 11.522 506 HA ASN 74 HA ASN 74 -14.796 5.972 12.744 507 1HB ASN 74 1HB ASN 74 -15.646 8.327 13.659 508 2HB ASN 74 2HB ASN 74 -17.074 7.411 14.140 509 1HD2 ASN 74 2HD2 ASN 74 -15.645 4.887 14.849 510 2HD2 ASN 74 1HD2 ASN 74 -14.450 5.259 16.070 511 H MET 75 H MET 75 -18.107 6.216 11.474 512 HA MET 75 HA MET 75 -19.329 4.007 12.750 513 1HB MET 75 1HB MET 75 -19.405 4.954 9.853 514 2HB MET 75 2HB MET 75 -20.455 3.680 10.495 515 1HG MET 75 1HG MET 75 -21.425 5.205 12.121 516 2HG MET 75 2HG MET 75 -20.334 6.502 11.629 517 1HE MET 75 1HE MET 75 -23.410 6.942 11.913 518 2HE MET 75 2HE MET 75 -22.271 8.198 11.361 519 3HE MET 75 3HE MET 75 -23.754 7.869 10.433 520 H ASP 76 H ASP 76 -16.868 4.098 10.200 521 HA ASP 76 HA ASP 76 -16.365 1.163 10.442 522 1HB ASP 76 1HB ASP 76 -15.581 3.159 8.279 523 2HB ASP 76 2HB ASP 76 -15.113 1.453 8.326 524 H PHE 77 H PHE 77 -15.714 2.797 12.552 525 HA PHE 77 HA PHE 77 -13.889 3.776 13.677 526 1HB PHE 77 1HB PHE 77 -13.679 0.757 13.682 527 2HB PHE 77 2HB PHE 77 -13.015 1.848 14.894 528 HD1 PHE 77 HD1 PHE 77 -16.222 0.615 13.394 529 HD2 PHE 77 HD2 PHE 77 -14.381 2.755 16.660 530 HE1 PHE 77 HE1 PHE 77 -18.420 0.841 14.489 531 HE2 PHE 77 HE2 PHE 77 -16.586 2.960 17.761 532 HZ PHE 77 HZ PHE 77 -18.615 2.011 16.678 533 H ILE 78 H ILE 78 -12.212 4.908 12.855 534 HA ILE 78 HA ILE 78 -10.076 3.611 11.290 535 HB ILE 78 HB ILE 78 -10.450 6.431 12.395 536 1HG1 ILE 78 1HG1 ILE 78 -10.248 6.910 9.870 537 2HG1 ILE 78 2HG1 ILE 78 -10.476 5.188 9.605 538 1HG2 ILE 78 1HG2 ILE 78 -8.119 5.275 10.803 539 2HG2 ILE 78 2HG2 ILE 78 -8.384 6.997 11.141 540 3HG2 ILE 78 3HG2 ILE 78 -8.034 5.903 12.462 541 1HD1 ILE 78 1HD1 ILE 78 -12.789 5.432 10.633 542 2HD1 ILE 78 2HD1 ILE 78 -12.461 7.170 10.830 543 3HD1 ILE 78 3HD1 ILE 78 -12.506 6.456 9.230 544 H TYR 79 H TYR 79 -9.601 1.933 12.707 545 HA TYR 79 HA TYR 79 -8.653 2.585 15.415 546 1HB TYR 79 1HB TYR 79 -10.529 0.840 14.553 547 2HB TYR 79 2HB TYR 79 -9.197 -0.259 14.787 548 HD1 TYR 79 HD1 TYR 79 -7.829 0.968 17.179 549 HD2 TYR 79 HD2 TYR 79 -12.001 0.305 16.307 550 HE1 TYR 79 HE1 TYR 79 -8.351 1.059 19.593 551 HE2 TYR 79 HE2 TYR 79 -12.516 0.394 18.717 552 HH TYR 79 HH TYR 79 -11.676 0.673 20.848 553 HA PRO 80 HA PRO 80 -4.373 1.721 13.916 554 1HB PRO 80 1HB PRO 80 -4.179 3.320 16.481 555 2HB PRO 80 2HB PRO 80 -3.077 3.311 15.082 556 1HG PRO 80 1HG PRO 80 -4.977 5.253 15.387 557 2HG PRO 80 2HG PRO 80 -4.611 4.563 13.779 558 1HD PRO 80 1HD PRO 80 -6.974 4.047 15.549 559 2HD PRO 80 2HD PRO 80 -6.834 4.073 13.767 560 H GLY 81 H GLY 81 -5.478 1.868 17.352 561 1HA GLY 81 1HA GLY 81 -5.619 0.336 19.001 562 2HA GLY 81 2HA GLY 81 -5.828 -0.887 17.741 563 H THR 82 H THR 82 -3.821 -1.727 16.744 564 HA THR 82 HA THR 82 -1.564 -2.057 18.674 565 HB THR 82 HB THR 82 -1.011 -3.967 17.096 566 HG1 THR 82 HG1 THR 82 -2.853 -4.634 15.795 567 1HG2 THR 82 1HG2 THR 82 -2.217 -4.342 19.245 568 2HG2 THR 82 2HG2 THR 82 -3.768 -4.103 18.414 569 3HG2 THR 82 3HG2 THR 82 -2.736 -5.485 17.992 570 H ARG 83 H ARG 83 -1.937 -2.197 15.171 571 HA ARG 83 HA ARG 83 -0.884 0.407 14.651 572 1HB ARG 83 1HB ARG 83 1.284 -0.811 15.254 573 2HB ARG 83 2HB ARG 83 0.992 -1.847 13.857 574 1HG ARG 83 1HG ARG 83 0.677 0.723 12.791 575 2HG ARG 83 2HG ARG 83 1.869 1.015 14.040 576 1HD ARG 83 1HD ARG 83 3.467 -0.360 13.007 577 2HD ARG 83 2HD ARG 83 2.272 -1.305 12.115 578 HE ARG 83 HE ARG 83 3.411 1.285 11.348 579 1HH1 ARG 83 1HH1 ARG 83 0.539 -0.794 10.916 580 2HH1 ARG 83 2HH1 ARG 83 0.375 -0.392 9.229 581 1HH2 ARG 83 1HH2 ARG 83 3.032 1.968 9.302 582 2HH2 ARG 83 2HH2 ARG 83 1.744 1.315 8.299 583 H ASN 84 H ASN 84 -3.202 -0.461 13.897 584 HA ASN 84 HA ASN 84 -2.998 -1.122 10.969 585 1HB ASN 84 1HB ASN 84 -4.250 -2.722 12.373 586 2HB ASN 84 2HB ASN 84 -5.357 -1.438 12.856 587 1HD2 ASN 84 2HD2 ASN 84 -6.482 -0.285 10.972 588 2HD2 ASN 84 1HD2 ASN 84 -6.982 -1.303 9.613 589 HA PRO 85 HA PRO 85 -4.077 3.347 11.824 590 1HB PRO 85 1HB PRO 85 -2.446 4.610 10.014 591 2HB PRO 85 2HB PRO 85 -1.876 4.017 11.599 592 1HG PRO 85 1HG PRO 85 -1.654 2.597 8.924 593 2HG PRO 85 2HG PRO 85 -0.365 2.866 10.133 594 1HD PRO 85 1HD PRO 85 -1.708 0.528 10.051 595 2HD PRO 85 2HD PRO 85 -1.267 1.300 11.609 Start of MODEL 2 1 1H LYS 1 1H LYS 1 -2.340 0.445 -6.300 2 2H LYS 1 2H LYS 1 -3.859 0.882 -5.800 3 3H LYS 1 3H LYS 1 -3.532 0.651 -7.406 4 HA LYS 1 HA LYS 1 -3.653 2.939 -7.024 5 1HB LYS 1 1HB LYS 1 -2.108 4.053 -5.482 6 2HB LYS 1 2HB LYS 1 -3.234 2.976 -4.645 7 1HG LYS 1 1HG LYS 1 -1.462 1.226 -4.510 8 2HG LYS 1 2HG LYS 1 -0.318 2.312 -5.298 9 1HD LYS 1 1HD LYS 1 -1.736 2.789 -2.628 10 2HD LYS 1 2HD LYS 1 -0.072 2.232 -2.823 11 1HE LYS 1 1HE LYS 1 -1.173 4.954 -3.658 12 2HE LYS 1 2HE LYS 1 -0.107 4.620 -2.297 13 1HZ LYS 1 1HZ LYS 1 1.554 3.858 -3.875 14 2HZ LYS 1 2HZ LYS 1 0.577 4.270 -5.137 15 3HZ LYS 1 3HZ LYS 1 1.139 5.432 -4.124 16 H ALA 2 H ALA 2 -2.103 4.521 -7.918 17 HA ALA 2 HA ALA 2 -0.133 3.279 -9.746 18 1HB ALA 2 1HB ALA 2 -1.677 5.068 -10.546 19 2HB ALA 2 2HB ALA 2 -0.964 6.175 -9.356 20 3HB ALA 2 3HB ALA 2 0.022 5.538 -10.676 21 H THR 3 H THR 3 1.972 4.992 -9.806 22 HA THR 3 HA THR 3 3.143 4.729 -7.107 23 HB THR 3 HB THR 3 5.258 5.267 -8.369 24 HG1 THR 3 HG1 THR 3 5.129 5.112 -10.618 25 1HG2 THR 3 1HG2 THR 3 4.595 2.945 -7.821 26 2HG2 THR 3 2HG2 THR 3 3.659 2.844 -9.327 27 3HG2 THR 3 3HG2 THR 3 5.425 3.023 -9.384 28 H MET 4 H MET 4 3.837 7.165 -9.589 29 HA MET 4 HA MET 4 3.637 9.320 -7.560 30 1HB MET 4 1HB MET 4 4.413 9.433 -10.495 31 2HB MET 4 2HB MET 4 4.502 10.770 -9.350 32 1HG MET 4 1HG MET 4 6.113 9.419 -7.978 33 2HG MET 4 2HG MET 4 6.102 8.182 -9.238 34 1HE MET 4 1HE MET 4 6.944 8.620 -11.732 35 2HE MET 4 2HE MET 4 6.038 10.144 -11.927 36 3HE MET 4 3HE MET 4 7.783 10.104 -12.239 37 H GLN 5 H GLN 5 2.503 8.606 -10.587 38 HA GLN 5 HA GLN 5 0.481 10.576 -10.910 39 1HB GLN 5 1HB GLN 5 0.010 9.530 -13.034 40 2HB GLN 5 2HB GLN 5 1.741 9.693 -12.778 41 1HG GLN 5 1HG GLN 5 0.150 7.096 -12.535 42 2HG GLN 5 2HG GLN 5 1.116 7.598 -13.914 43 1HE2 GLN 5 2HE2 GLN 5 1.478 5.116 -12.366 44 2HE2 GLN 5 1HE2 GLN 5 3.070 5.266 -11.603 45 H CYS 6 H CYS 6 -0.267 9.536 -8.556 46 HA CYS 6 HA CYS 6 -2.597 7.745 -8.939 47 1HB CYS 6 1HB CYS 6 -1.624 9.252 -6.510 48 2HB CYS 6 2HB CYS 6 -2.882 7.998 -6.542 49 H GLY 7 H GLY 7 -2.302 10.992 -7.331 50 1HA GLY 7 1HA GLY 7 -3.152 13.012 -7.968 51 2HA GLY 7 2HA GLY 7 -3.832 12.296 -9.432 52 H GLU 8 H GLU 8 -5.508 10.364 -8.372 53 HA GLU 8 HA GLU 8 -7.822 11.995 -7.865 54 1HB GLU 8 1HB GLU 8 -7.532 8.964 -7.673 55 2HB GLU 8 2HB GLU 8 -9.038 9.877 -7.830 56 1HG GLU 8 1HG GLU 8 -6.812 9.665 -9.918 57 2HG GLU 8 2HG GLU 8 -8.414 8.937 -9.988 58 H ASN 9 H ASN 9 -7.127 13.087 -5.984 59 HA ASN 9 HA ASN 9 -7.352 13.656 -3.789 60 1HB ASN 9 1HB ASN 9 -8.292 10.809 -3.192 61 2HB ASN 9 2HB ASN 9 -8.101 12.108 -2.036 62 1HD2 ASN 9 2HD2 ASN 9 -10.394 11.864 -1.515 63 2HD2 ASN 9 1HD2 ASN 9 -11.584 12.570 -2.599 64 H GLU 10 H GLU 10 -5.881 10.482 -4.438 65 HA GLU 10 HA GLU 10 -3.793 10.700 -2.554 66 1HB GLU 10 1HB GLU 10 -4.018 9.105 -5.103 67 2HB GLU 10 2HB GLU 10 -2.774 8.877 -3.848 68 1HG GLU 10 1HG GLU 10 -4.717 8.523 -2.213 69 2HG GLU 10 2HG GLU 10 -5.779 8.420 -3.625 70 H LYS 11 H LYS 11 -3.200 13.038 -3.019 71 HA LYS 11 HA LYS 11 -1.904 13.700 -5.483 72 1HB LYS 11 1HB LYS 11 -2.223 14.987 -2.793 73 2HB LYS 11 2HB LYS 11 -0.851 15.527 -3.755 74 1HG LYS 11 1HG LYS 11 -2.787 16.931 -4.150 75 2HG LYS 11 2HG LYS 11 -2.254 16.112 -5.623 76 1HD LYS 11 1HD LYS 11 -4.094 14.421 -5.324 77 2HD LYS 11 2HD LYS 11 -4.637 15.298 -3.887 78 1HE LYS 11 1HE LYS 11 -5.049 17.317 -5.313 79 2HE LYS 11 2HE LYS 11 -4.449 16.425 -6.725 80 1HZ LYS 11 1HZ LYS 11 -6.211 14.854 -6.407 81 2HZ LYS 11 2HZ LYS 11 -6.811 15.741 -5.134 82 3HZ LYS 11 3HZ LYS 11 -6.798 16.379 -6.653 83 H TYR 12 H TYR 12 0.250 14.073 -6.000 84 HA TYR 12 HA TYR 12 2.133 12.076 -5.283 85 1HB TYR 12 1HB TYR 12 2.307 13.131 -7.419 86 2HB TYR 12 2HB TYR 12 2.358 14.741 -6.704 87 HD1 TYR 12 HD1 TYR 12 4.314 11.604 -7.153 88 HD2 TYR 12 HD2 TYR 12 4.416 15.704 -5.844 89 HE1 TYR 12 HE1 TYR 12 6.709 11.364 -6.573 90 HE2 TYR 12 HE2 TYR 12 6.779 15.429 -5.170 91 HH TYR 12 HH TYR 12 8.445 13.836 -4.682 92 H ASP 13 H ASP 13 4.027 12.193 -3.981 93 HA ASP 13 HA ASP 13 4.908 14.672 -2.887 94 1HB ASP 13 1HB ASP 13 3.185 14.298 -1.195 95 2HB ASP 13 2HB ASP 13 3.816 12.647 -0.911 96 H SER 14 H SER 14 6.960 14.510 -1.987 97 HA SER 14 HA SER 14 8.592 12.227 -2.783 98 1HB SER 14 1HB SER 14 9.305 14.726 -1.247 99 2HB SER 14 2HB SER 14 10.419 13.587 -2.027 100 HG SER 14 HG SER 14 9.912 15.443 -3.351 101 H CYS 15 H CYS 15 6.724 11.109 -1.147 102 HA CYS 15 HA CYS 15 8.394 10.120 0.927 103 1HB CYS 15 1HB CYS 15 7.403 12.361 1.910 104 2HB CYS 15 2HB CYS 15 6.023 11.338 2.250 105 H GLY 16 H GLY 16 7.532 8.528 -0.890 106 1HA GLY 16 1HA GLY 16 6.709 6.421 -1.020 107 2HA GLY 16 2HA GLY 16 6.402 6.523 0.699 108 H SER 17 H SER 17 4.833 4.952 -0.194 109 HA SER 17 HA SER 17 2.469 5.864 -1.674 110 1HB SER 17 1HB SER 17 3.389 3.169 -0.544 111 2HB SER 17 2HB SER 17 2.001 3.413 -1.617 112 HG SER 17 HG SER 17 3.578 4.391 -3.103 113 H LYS 18 H LYS 18 1.495 7.238 -0.088 114 HA LYS 18 HA LYS 18 0.116 7.801 1.619 115 1HB LYS 18 1HB LYS 18 -0.343 4.999 2.591 116 2HB LYS 18 2HB LYS 18 -1.395 6.398 2.623 117 1HG LYS 18 1HG LYS 18 -0.766 4.529 0.330 118 2HG LYS 18 2HG LYS 18 -2.294 4.785 1.165 119 1HD LYS 18 1HD LYS 18 -0.935 6.879 -0.610 120 2HD LYS 18 2HD LYS 18 -2.177 5.759 -1.158 121 1HE LYS 18 1HE LYS 18 -2.580 7.784 1.089 122 2HE LYS 18 2HE LYS 18 -3.021 7.995 -0.613 123 1HZ LYS 18 1HZ LYS 18 -4.482 6.166 -0.471 124 2HZ LYS 18 2HZ LYS 18 -4.099 5.869 1.108 125 3HZ LYS 18 3HZ LYS 18 -4.873 7.264 0.692 126 H GLU 19 H GLU 19 1.927 4.956 2.706 127 HA GLU 19 HA GLU 19 2.866 4.387 4.664 128 1HB GLU 19 1HB GLU 19 4.421 6.971 4.429 129 2HB GLU 19 2HB GLU 19 4.943 5.373 4.986 130 1HG GLU 19 1HG GLU 19 4.321 6.212 2.133 131 2HG GLU 19 2HG GLU 19 5.920 6.006 2.849 132 H CYS 20 H CYS 20 0.487 5.439 5.251 133 HA CYS 20 HA CYS 20 -0.769 6.675 6.728 134 1HB CYS 20 1HB CYS 20 -0.205 5.963 9.123 135 2HB CYS 20 2HB CYS 20 -0.526 4.728 7.911 136 H ASP 21 H ASP 21 1.039 8.384 5.487 137 HA ASP 21 HA ASP 21 2.238 10.173 7.402 138 1HB ASP 21 1HB ASP 21 3.003 10.133 5.108 139 2HB ASP 21 2HB ASP 21 1.400 10.531 4.491 140 H LYS 22 H LYS 22 -0.564 10.818 5.244 141 HA LYS 22 HA LYS 22 -1.801 12.532 7.309 142 1HB LYS 22 1HB LYS 22 -2.804 11.829 4.524 143 2HB LYS 22 2HB LYS 22 -3.410 13.081 5.626 144 1HG LYS 22 1HG LYS 22 -1.042 14.065 5.600 145 2HG LYS 22 2HG LYS 22 -0.716 12.984 4.230 146 1HD LYS 22 1HD LYS 22 -2.697 13.987 3.037 147 2HD LYS 22 2HD LYS 22 -2.869 15.145 4.355 148 1HE LYS 22 1HE LYS 22 -0.411 14.802 2.562 149 2HE LYS 22 2HE LYS 22 -1.603 16.099 2.449 150 1HZ LYS 22 1HZ LYS 22 -0.965 16.777 4.668 151 2HZ LYS 22 2HZ LYS 22 0.185 15.594 4.721 152 3HZ LYS 22 3HZ LYS 22 0.313 16.816 3.625 153 H LYS 23 H LYS 23 -1.605 10.327 8.582 154 HA LYS 23 HA LYS 23 -3.784 8.469 8.118 155 1HB LYS 23 1HB LYS 23 -3.197 7.382 10.083 156 2HB LYS 23 2HB LYS 23 -1.697 7.820 9.278 157 1HG LYS 23 1HG LYS 23 -2.916 9.161 11.742 158 2HG LYS 23 2HG LYS 23 -1.560 8.042 11.696 159 1HD LYS 23 1HD LYS 23 -0.322 9.728 10.229 160 2HD LYS 23 2HD LYS 23 -1.612 10.886 10.638 161 1HE LYS 23 1HE LYS 23 -1.075 10.355 13.101 162 2HE LYS 23 2HE LYS 23 0.331 9.456 12.500 163 1HZ LYS 23 1HZ LYS 23 -0.127 12.284 11.889 164 2HZ LYS 23 2HZ LYS 23 0.821 11.725 13.122 165 3HZ LYS 23 3HZ LYS 23 1.211 11.369 11.567 166 H CYS 24 H CYS 24 -5.863 8.491 8.971 167 HA CYS 24 HA CYS 24 -6.878 10.999 9.980 168 1HB CYS 24 1HB CYS 24 -8.352 9.636 8.716 169 2HB CYS 24 2HB CYS 24 -8.054 8.220 9.752 170 H LYS 25 H LYS 25 -7.165 11.661 12.049 171 HA LYS 25 HA LYS 25 -5.840 10.179 14.202 172 1HB LYS 25 1HB LYS 25 -7.301 12.844 14.266 173 2HB LYS 25 2HB LYS 25 -6.123 12.239 15.446 174 1HG LYS 25 1HG LYS 25 -5.677 13.171 12.576 175 2HG LYS 25 2HG LYS 25 -5.131 13.942 14.066 176 1HD LYS 25 1HD LYS 25 -3.669 11.957 14.531 177 2HD LYS 25 2HD LYS 25 -4.141 11.260 12.968 178 1HE LYS 25 1HE LYS 25 -2.799 13.988 13.335 179 2HE LYS 25 2HE LYS 25 -1.981 12.495 12.876 180 1HZ LYS 25 1HZ LYS 25 -3.442 12.394 10.943 181 2HZ LYS 25 2HZ LYS 25 -4.062 13.866 11.336 182 3HZ LYS 25 3HZ LYS 25 -2.469 13.730 10.946 183 H TYR 26 H TYR 26 -6.912 9.473 16.112 184 HA TYR 26 HA TYR 26 -9.889 9.362 16.031 185 1HB TYR 26 1HB TYR 26 -8.026 6.987 16.161 186 2HB TYR 26 2HB TYR 26 -9.773 6.901 16.394 187 HD1 TYR 26 HD1 TYR 26 -11.155 8.143 14.359 188 HD2 TYR 26 HD2 TYR 26 -7.248 6.344 14.051 189 HE1 TYR 26 HE1 TYR 26 -11.605 7.603 12.010 190 HE2 TYR 26 HE2 TYR 26 -7.678 5.826 11.689 191 HH TYR 26 HH TYR 26 -10.802 6.638 10.126 192 H ASP 27 H ASP 27 -7.189 9.876 17.961 193 HA ASP 27 HA ASP 27 -6.928 8.727 20.155 194 1HB ASP 27 1HB ASP 27 -6.066 10.954 19.857 195 2HB ASP 27 2HB ASP 27 -7.664 11.668 20.100 196 H GLY 28 H GLY 28 -9.657 11.028 20.592 197 1HA GLY 28 1HA GLY 28 -11.208 10.373 22.516 198 2HA GLY 28 2HA GLY 28 -11.865 10.420 20.873 199 H VAL 29 H VAL 29 -11.305 8.203 19.679 200 HA VAL 29 HA VAL 29 -12.747 6.106 21.247 201 HB VAL 29 HB VAL 29 -12.254 6.377 18.253 202 1HG1 VAL 29 1HG1 VAL 29 -13.842 4.314 19.841 203 2HG1 VAL 29 2HG1 VAL 29 -13.862 4.487 18.074 204 3HG1 VAL 29 3HG1 VAL 29 -12.372 4.005 18.892 205 1HG2 VAL 29 1HG2 VAL 29 -14.784 6.712 19.933 206 2HG2 VAL 29 2HG2 VAL 29 -13.914 8.017 19.103 207 3HG2 VAL 29 3HG2 VAL 29 -14.706 6.745 18.160 208 H GLU 30 H GLU 30 -9.863 6.672 19.184 209 HA GLU 30 HA GLU 30 -8.748 4.014 19.806 210 1HB GLU 30 1HB GLU 30 -8.431 5.210 17.595 211 2HB GLU 30 2HB GLU 30 -7.420 6.387 18.458 212 1HG GLU 30 1HG GLU 30 -6.168 4.118 19.245 213 2HG GLU 30 2HG GLU 30 -6.906 3.501 17.760 214 H GLU 31 H GLU 31 -9.167 4.726 22.196 215 HA GLU 31 HA GLU 31 -7.680 6.772 23.389 216 1HB GLU 31 1HB GLU 31 -8.746 4.206 24.644 217 2HB GLU 31 2HB GLU 31 -8.154 5.615 25.543 218 1HG GLU 31 1HG GLU 31 -9.866 7.052 24.451 219 2HG GLU 31 2HG GLU 31 -10.516 5.647 23.604 220 H GLU 32 H GLU 32 -6.465 3.738 22.340 221 HA GLU 32 HA GLU 32 -4.107 3.480 23.916 222 1HB GLU 32 1HB GLU 32 -4.958 1.823 22.244 223 2HB GLU 32 2HB GLU 32 -4.537 2.948 20.937 224 1HG GLU 32 1HG GLU 32 -2.137 2.799 21.608 225 2HG GLU 32 2HG GLU 32 -2.584 1.688 22.914 226 H ASP 33 H ASP 33 -5.052 5.684 21.370 227 HA ASP 33 HA ASP 33 -4.123 7.335 20.241 228 1HB ASP 33 1HB ASP 33 -4.349 8.233 22.585 229 2HB ASP 33 2HB ASP 33 -2.629 7.896 22.833 230 H ASP 34 H ASP 34 -2.951 5.084 19.520 231 HA ASP 34 HA ASP 34 -0.013 5.291 19.476 232 1HB ASP 34 1HB ASP 34 -0.936 3.078 19.360 233 2HB ASP 34 2HB ASP 34 -2.053 3.516 18.060 234 H GLU 35 H GLU 35 -2.731 5.604 17.193 235 HA GLU 35 HA GLU 35 -2.880 6.472 15.097 236 1HB GLU 35 1HB GLU 35 -1.632 8.846 16.532 237 2HB GLU 35 2HB GLU 35 -2.637 8.892 15.073 238 1HG GLU 35 1HG GLU 35 -4.494 7.792 16.403 239 2HG GLU 35 2HG GLU 35 -3.516 8.021 17.865 240 H GLU 36 H GLU 36 -0.639 4.856 15.129 241 HA GLU 36 HA GLU 36 1.184 4.317 13.917 242 1HB GLU 36 1HB GLU 36 -0.086 6.204 11.908 243 2HB GLU 36 2HB GLU 36 1.085 4.928 11.589 244 1HG GLU 36 1HG GLU 36 -1.007 4.011 11.003 245 2HG GLU 36 2HG GLU 36 -0.544 3.236 12.522 246 HA PRO 37 HA PRO 37 3.758 7.944 15.262 247 1HB PRO 37 1HB PRO 37 5.522 5.524 15.740 248 2HB PRO 37 2HB PRO 37 5.421 7.039 16.686 249 1HG PRO 37 1HG PRO 37 4.110 4.839 17.557 250 2HG PRO 37 2HG PRO 37 3.245 6.407 17.535 251 1HD PRO 37 1HD PRO 37 3.107 4.179 15.485 252 2HD PRO 37 2HD PRO 37 1.780 5.100 16.244 253 H ASN 38 H ASN 38 4.269 8.919 13.357 254 HA ASN 38 HA ASN 38 5.011 7.699 10.973 255 1HB ASN 38 1HB ASN 38 5.305 10.536 12.005 256 2HB ASN 38 2HB ASN 38 5.780 10.116 10.374 257 1HD2 ASN 38 2HD2 ASN 38 3.956 8.621 9.178 258 2HD2 ASN 38 1HD2 ASN 38 2.319 9.168 9.417 259 H VAL 39 H VAL 39 7.370 8.478 13.493 260 HA VAL 39 HA VAL 39 9.622 8.561 11.822 261 HB VAL 39 HB VAL 39 9.422 7.433 14.640 262 1HG1 VAL 39 1HG1 VAL 39 11.869 8.134 12.958 263 2HG1 VAL 39 2HG1 VAL 39 11.879 7.764 14.695 264 3HG1 VAL 39 3HG1 VAL 39 11.434 6.510 13.531 265 1HG2 VAL 39 1HG2 VAL 39 10.338 10.115 13.540 266 2HG2 VAL 39 2HG2 VAL 39 8.832 9.815 14.433 267 3HG2 VAL 39 3HG2 VAL 39 10.391 9.603 15.237 268 HA PRO 40 HA PRO 40 9.661 3.872 11.189 269 1HB PRO 40 1HB PRO 40 7.837 2.208 12.367 270 2HB PRO 40 2HB PRO 40 9.388 2.669 13.126 271 1HG PRO 40 1HG PRO 40 6.675 3.933 13.575 272 2HG PRO 40 2HG PRO 40 7.822 3.359 14.818 273 1HD PRO 40 1HD PRO 40 7.792 5.969 14.179 274 2HD PRO 40 2HD PRO 40 9.341 5.122 14.362 275 H CYS 41 H CYS 41 6.257 5.041 11.805 276 HA CYS 41 HA CYS 41 5.063 3.400 9.878 277 1HB CYS 41 1HB CYS 41 3.394 4.228 11.130 278 2HB CYS 41 2HB CYS 41 4.238 5.721 11.446 279 H LEU 42 H LEU 42 6.637 6.540 9.261 280 HA LEU 42 HA LEU 42 5.648 6.902 6.600 281 1HB LEU 42 1HB LEU 42 8.220 7.741 7.966 282 2HB LEU 42 2HB LEU 42 7.812 8.236 6.329 283 HG LEU 42 HG LEU 42 5.971 8.785 8.662 284 1HD1 LEU 42 1HD1 LEU 42 8.173 10.526 7.463 285 2HD1 LEU 42 2HD1 LEU 42 6.966 11.097 8.631 286 3HD1 LEU 42 3HD1 LEU 42 8.139 9.851 9.107 287 1HD2 LEU 42 1HD2 LEU 42 6.140 9.995 5.882 288 2HD2 LEU 42 2HD2 LEU 42 4.845 8.949 6.506 289 3HD2 LEU 42 3HD2 LEU 42 5.081 10.558 7.190 290 H VAL 43 H VAL 43 7.859 4.633 7.910 291 HA VAL 43 HA VAL 43 9.080 2.966 7.035 292 HB VAL 43 HB VAL 43 8.096 3.624 4.222 293 1HG1 VAL 43 1HG1 VAL 43 9.095 1.043 5.485 294 2HG1 VAL 43 2HG1 VAL 43 8.476 1.235 3.831 295 3HG1 VAL 43 3HG1 VAL 43 9.968 2.042 4.302 296 1HG2 VAL 43 1HG2 VAL 43 6.787 1.875 6.355 297 2HG2 VAL 43 2HG2 VAL 43 6.085 3.315 5.589 298 3HG2 VAL 43 3HG2 VAL 43 6.360 1.870 4.628 299 H ARG 44 H ARG 44 11.236 2.724 6.331 300 HA ARG 44 HA ARG 44 12.763 5.088 6.173 301 1HB ARG 44 1HB ARG 44 14.671 3.652 5.665 302 2HB ARG 44 2HB ARG 44 13.699 3.056 7.015 303 1HG ARG 44 1HG ARG 44 12.622 1.386 5.442 304 2HG ARG 44 2HG ARG 44 13.737 1.947 4.176 305 1HD ARG 44 1HD ARG 44 15.662 1.318 5.573 306 2HD ARG 44 2HD ARG 44 14.551 0.741 6.843 307 HE ARG 44 HE ARG 44 13.862 -0.529 4.404 308 1HH1 ARG 44 1HH1 ARG 44 16.503 -0.491 6.744 309 2HH1 ARG 44 2HH1 ARG 44 17.000 -2.132 6.433 310 1HH2 ARG 44 1HH2 ARG 44 14.495 -2.676 3.977 311 2HH2 ARG 44 2HH2 ARG 44 15.833 -3.396 4.825 312 H VAL 45 H VAL 45 11.737 2.902 3.525 313 HA VAL 45 HA VAL 45 12.893 4.657 1.476 314 HB VAL 45 HB VAL 45 11.754 3.078 -0.102 315 1HG1 VAL 45 1HG1 VAL 45 14.116 2.860 0.507 316 2HG1 VAL 45 2HG1 VAL 45 13.681 1.833 1.888 317 3HG1 VAL 45 3HG1 VAL 45 13.361 1.280 0.235 318 1HG2 VAL 45 1HG2 VAL 45 9.978 2.223 1.508 319 2HG2 VAL 45 2HG2 VAL 45 10.888 0.972 0.649 320 3HG2 VAL 45 3HG2 VAL 45 11.262 1.318 2.341 321 H CYS 46 H CYS 46 11.525 6.401 2.780 322 HA CYS 46 HA CYS 46 8.782 6.681 1.799 323 1HB CYS 46 1HB CYS 46 10.056 7.735 3.937 324 2HB CYS 46 2HB CYS 46 10.225 9.089 2.833 325 H HIS 47 H HIS 47 9.631 6.131 -0.432 326 HA HIS 47 HA HIS 47 11.221 8.191 -1.780 327 1HB HIS 47 1HB HIS 47 11.221 6.570 -3.644 328 2HB HIS 47 2HB HIS 47 11.809 5.916 -2.113 329 HD1 HIS 47 HD1 HIS 47 8.040 6.042 -2.889 330 HD2 HIS 47 HD2 HIS 47 11.291 3.374 -2.726 331 HE1 HIS 47 HE1 HIS 47 7.069 3.690 -3.123 332 H GLN 48 H GLN 48 10.621 9.432 -3.467 333 HA GLN 48 HA GLN 48 8.389 10.705 -4.123 334 1HB GLN 48 1HB GLN 48 9.106 10.668 -6.501 335 2HB GLN 48 2HB GLN 48 10.369 11.076 -5.348 336 1HG GLN 48 1HG GLN 48 11.685 9.426 -6.087 337 2HG GLN 48 2HG GLN 48 10.463 8.197 -5.762 338 1HE2 GLN 48 2HE2 GLN 48 8.696 7.972 -7.405 339 2HE2 GLN 48 1HE2 GLN 48 9.128 8.211 -9.102 340 H ASP 49 H ASP 49 6.300 10.090 -4.001 341 HA ASP 49 HA ASP 49 5.217 8.227 -5.912 342 1HB ASP 49 1HB ASP 49 6.400 6.748 -4.145 343 2HB ASP 49 2HB ASP 49 5.181 7.319 -3.021 344 H CYS 50 H CYS 50 2.922 7.702 -3.807 345 HA CYS 50 HA CYS 50 1.905 10.500 -3.773 346 1HB CYS 50 1HB CYS 50 -0.115 9.903 -4.754 347 2HB CYS 50 2HB CYS 50 1.137 9.153 -5.730 348 H VAL 51 H VAL 51 0.811 11.197 -2.168 349 HA VAL 51 HA VAL 51 0.242 9.448 0.173 350 HB VAL 51 HB VAL 51 0.541 11.480 1.571 351 1HG1 VAL 51 1HG1 VAL 51 2.314 9.818 1.372 352 2HG1 VAL 51 2HG1 VAL 51 2.978 10.642 -0.047 353 3HG1 VAL 51 3HG1 VAL 51 2.994 11.443 1.536 354 1HG2 VAL 51 1HG2 VAL 51 1.579 12.733 -1.013 355 2HG2 VAL 51 2HG2 VAL 51 0.253 13.342 -0.048 356 3HG2 VAL 51 3HG2 VAL 51 1.877 13.379 0.618 357 H CYS 52 H CYS 52 -1.180 12.365 0.818 358 HA CYS 52 HA CYS 52 -3.394 12.137 -1.064 359 1HB CYS 52 1HB CYS 52 -3.731 11.669 1.903 360 2HB CYS 52 2HB CYS 52 -5.027 12.324 0.893 361 H GLU 53 H GLU 53 -4.853 13.862 -0.976 362 HA GLU 53 HA GLU 53 -3.574 16.192 -1.462 363 1HB GLU 53 1HB GLU 53 -6.031 15.388 -1.917 364 2HB GLU 53 2HB GLU 53 -6.423 16.277 -0.441 365 1HG GLU 53 1HG GLU 53 -5.563 18.351 -1.422 366 2HG GLU 53 2HG GLU 53 -4.983 17.469 -2.844 367 H GLU 54 H GLU 54 -3.411 18.235 -0.540 368 HA GLU 54 HA GLU 54 -2.409 18.311 2.093 369 1HB GLU 54 1HB GLU 54 -3.193 20.668 0.326 370 2HB GLU 54 2HB GLU 54 -2.077 20.658 1.691 371 1HG GLU 54 1HG GLU 54 -0.524 20.478 0.043 372 2HG GLU 54 2HG GLU 54 -0.852 18.754 0.202 373 H GLY 55 H GLY 55 -4.301 17.379 3.176 374 1HA GLY 55 1HA GLY 55 -5.463 18.555 5.170 375 2HA GLY 55 2HA GLY 55 -6.433 19.351 3.924 376 H PHE 56 H PHE 56 -5.752 16.290 2.675 377 HA PHE 56 HA PHE 56 -8.311 15.175 3.692 378 1HB PHE 56 1HB PHE 56 -6.608 14.531 1.263 379 2HB PHE 56 2HB PHE 56 -7.960 13.560 1.825 380 HD1 PHE 56 HD1 PHE 56 -8.481 17.246 1.986 381 HD2 PHE 56 HD2 PHE 56 -8.785 13.717 -0.488 382 HE1 PHE 56 HE1 PHE 56 -9.794 18.502 0.342 383 HE2 PHE 56 HE2 PHE 56 -10.161 14.989 -2.101 384 HZ PHE 56 HZ PHE 56 -10.665 17.384 -1.693 385 H TYR 57 H TYR 57 -8.251 13.180 4.745 386 HA TYR 57 HA TYR 57 -5.533 12.103 5.400 387 1HB TYR 57 1HB TYR 57 -7.842 12.676 7.300 388 2HB TYR 57 2HB TYR 57 -6.403 11.744 7.704 389 HD1 TYR 57 HD1 TYR 57 -7.562 15.146 6.645 390 HD2 TYR 57 HD2 TYR 57 -4.353 12.815 8.328 391 HE1 TYR 57 HE1 TYR 57 -6.296 17.216 7.071 392 HE2 TYR 57 HE2 TYR 57 -3.053 14.895 8.710 393 HH TYR 57 HH TYR 57 -4.323 18.127 7.877 394 H ARG 58 H ARG 58 -5.418 9.878 5.532 395 HA ARG 58 HA ARG 58 -7.519 8.497 4.072 396 1HB ARG 58 1HB ARG 58 -6.268 6.507 4.383 397 2HB ARG 58 2HB ARG 58 -5.309 7.746 3.610 398 1HG ARG 58 1HG ARG 58 -3.899 8.040 5.430 399 2HG ARG 58 2HG ARG 58 -4.971 7.254 6.576 400 1HD ARG 58 1HD ARG 58 -3.113 6.075 4.554 401 2HD ARG 58 2HD ARG 58 -3.298 5.669 6.261 402 HE ARG 58 HE ARG 58 -4.325 4.277 4.105 403 1HH1 ARG 58 1HH1 ARG 58 -6.199 5.737 6.822 404 2HH1 ARG 58 2HH1 ARG 58 -7.156 4.291 6.962 405 1HH2 ARG 58 1HH2 ARG 58 -5.711 2.496 4.388 406 2HH2 ARG 58 2HH2 ARG 58 -6.948 2.587 5.634 407 H ASN 59 H ASN 59 -9.402 8.785 5.263 408 HA ASN 59 HA ASN 59 -9.606 7.789 7.980 409 1HB ASN 59 1HB ASN 59 -11.097 9.547 6.951 410 2HB ASN 59 2HB ASN 59 -11.836 8.262 5.976 411 1HD2 ASN 59 2HD2 ASN 59 -13.815 9.239 7.235 412 2HD2 ASN 59 1HD2 ASN 59 -14.150 8.344 8.728 413 H LYS 60 H LYS 60 -9.869 5.717 8.622 414 HA LYS 60 HA LYS 60 -9.721 3.460 8.448 415 1HB LYS 60 1HB LYS 60 -12.010 2.511 7.761 416 2HB LYS 60 2HB LYS 60 -11.890 3.623 9.117 417 1HG LYS 60 1HG LYS 60 -12.788 5.445 7.926 418 2HG LYS 60 2HG LYS 60 -12.702 4.629 6.359 419 1HD LYS 60 1HD LYS 60 -14.419 3.036 7.068 420 2HD LYS 60 2HD LYS 60 -14.356 3.662 8.727 421 1HE LYS 60 1HE LYS 60 -16.330 4.531 7.553 422 2HE LYS 60 2HE LYS 60 -15.226 5.834 8.013 423 1HZ LYS 60 1HZ LYS 60 -15.407 4.630 5.343 424 2HZ LYS 60 2HZ LYS 60 -16.047 6.081 5.792 425 3HZ LYS 60 3HZ LYS 60 -14.414 5.874 5.782 426 H ASP 61 H ASP 61 -11.716 3.071 5.657 427 HA ASP 61 HA ASP 61 -9.710 1.341 4.478 428 1HB ASP 61 1HB ASP 61 -12.482 2.132 3.498 429 2HB ASP 61 2HB ASP 61 -11.499 0.792 2.895 430 H ASP 62 H ASP 62 -8.338 3.465 4.339 431 HA ASP 62 HA ASP 62 -7.410 5.187 3.208 432 1HB ASP 62 1HB ASP 62 -7.785 3.151 1.003 433 2HB ASP 62 2HB ASP 62 -6.953 4.679 0.717 434 H LYS 63 H LYS 63 -10.154 5.696 3.719 435 HA LYS 63 HA LYS 63 -11.172 7.046 1.293 436 1HB LYS 63 1HB LYS 63 -12.183 7.119 4.150 437 2HB LYS 63 2HB LYS 63 -12.999 7.760 2.727 438 1HG LYS 63 1HG LYS 63 -12.336 4.817 3.233 439 2HG LYS 63 2HG LYS 63 -13.898 5.597 3.506 440 1HD LYS 63 1HD LYS 63 -14.081 6.139 1.096 441 2HD LYS 63 2HD LYS 63 -12.505 5.380 0.800 442 1HE LYS 63 1HE LYS 63 -14.287 3.857 0.171 443 2HE LYS 63 2HE LYS 63 -13.327 3.201 1.501 444 1HZ LYS 63 1HZ LYS 63 -15.935 4.541 1.772 445 2HZ LYS 63 2HZ LYS 63 -15.682 2.913 1.823 446 3HZ LYS 63 3HZ LYS 63 -15.058 3.877 3.002 447 H CYS 64 H CYS 64 -9.171 8.159 0.952 448 HA CYS 64 HA CYS 64 -8.398 10.331 2.728 449 1HB CYS 64 1HB CYS 64 -7.692 9.763 -0.153 450 2HB CYS 64 2HB CYS 64 -7.276 11.253 0.684 451 H VAL 65 H VAL 65 -10.261 11.346 3.294 452 HA VAL 65 HA VAL 65 -11.132 13.394 1.319 453 HB VAL 65 HB VAL 65 -13.363 13.378 2.566 454 1HG1 VAL 65 1HG1 VAL 65 -13.113 12.586 0.245 455 2HG1 VAL 65 2HG1 VAL 65 -12.692 10.963 0.831 456 3HG1 VAL 65 3HG1 VAL 65 -14.310 11.626 1.132 457 1HG2 VAL 65 1HG2 VAL 65 -12.550 11.822 4.432 458 2HG2 VAL 65 2HG2 VAL 65 -14.098 11.388 3.667 459 3HG2 VAL 65 3HG2 VAL 65 -12.629 10.501 3.253 460 H SER 66 H SER 66 -12.006 15.328 2.544 461 HA SER 66 HA SER 66 -10.021 16.562 3.857 462 1HB SER 66 1HB SER 66 -12.952 17.132 4.347 463 2HB SER 66 2HB SER 66 -11.615 18.291 4.199 464 HG SER 66 HG SER 66 -11.400 17.499 1.988 465 H ALA 67 H ALA 67 -9.313 16.866 5.932 466 HA ALA 67 HA ALA 67 -9.407 15.296 8.086 467 1HB ALA 67 1HB ALA 67 -8.226 17.524 7.934 468 2HB ALA 67 2HB ALA 67 -9.746 18.330 8.308 469 3HB ALA 67 3HB ALA 67 -9.001 17.247 9.501 470 H GLU 68 H GLU 68 -11.810 17.746 7.482 471 HA GLU 68 HA GLU 68 -13.558 17.702 9.548 472 1HB GLU 68 1HB GLU 68 -14.448 17.611 6.631 473 2HB GLU 68 2HB GLU 68 -15.232 18.419 7.994 474 1HG GLU 68 1HG GLU 68 -13.140 19.885 8.194 475 2HG GLU 68 2HG GLU 68 -12.561 19.202 6.671 476 H ASP 69 H ASP 69 -13.626 15.306 6.840 477 HA ASP 69 HA ASP 69 -15.926 13.864 7.843 478 1HB ASP 69 1HB ASP 69 -15.335 13.684 5.497 479 2HB ASP 69 2HB ASP 69 -13.711 13.107 5.901 480 H CYS 70 H CYS 70 -12.418 13.225 7.882 481 HA CYS 70 HA CYS 70 -12.322 10.835 9.361 482 1HB CYS 70 1HB CYS 70 -10.281 11.572 8.440 483 2HB CYS 70 2HB CYS 70 -10.472 13.206 9.057 484 H GLU 71 H GLU 71 -12.312 14.194 10.565 485 HA GLU 71 HA GLU 71 -12.260 13.533 13.313 486 1HB GLU 71 1HB GLU 71 -13.177 16.035 11.845 487 2HB GLU 71 2HB GLU 71 -13.061 15.921 13.610 488 1HG GLU 71 1HG GLU 71 -10.670 15.453 13.493 489 2HG GLU 71 2HG GLU 71 -10.706 15.391 11.733 490 H LEU 72 H LEU 72 -15.082 14.645 11.338 491 HA LEU 72 HA LEU 72 -16.997 14.328 13.367 492 1HB LEU 72 1HB LEU 72 -17.067 14.350 10.363 493 2HB LEU 72 2HB LEU 72 -18.481 13.718 11.183 494 HG LEU 72 HG LEU 72 -18.638 16.115 10.601 495 1HD1 LEU 72 1HD1 LEU 72 -20.029 15.075 12.376 496 2HD1 LEU 72 2HD1 LEU 72 -18.845 15.599 13.593 497 3HD1 LEU 72 3HD1 LEU 72 -19.728 16.799 12.642 498 1HD2 LEU 72 1HD2 LEU 72 -16.357 16.890 11.082 499 2HD2 LEU 72 2HD2 LEU 72 -17.551 17.812 11.996 500 3HD2 LEU 72 3HD2 LEU 72 -16.589 16.573 12.816 501 H ASP 73 H ASP 73 -15.822 11.892 11.030 502 HA ASP 73 HA ASP 73 -17.627 9.835 11.665 503 1HB ASP 73 1HB ASP 73 -16.180 9.941 9.670 504 2HB ASP 73 2HB ASP 73 -14.746 9.720 10.688 505 H ASN 74 H ASN 74 -14.858 10.997 13.515 506 HA ASN 74 HA ASN 74 -14.437 8.562 15.023 507 1HB ASN 74 1HB ASN 74 -12.737 10.355 14.761 508 2HB ASN 74 2HB ASN 74 -13.797 11.443 15.676 509 1HD2 ASN 74 2HD2 ASN 74 -12.246 8.191 16.045 510 2HD2 ASN 74 1HD2 ASN 74 -11.709 8.512 17.682 511 H MET 75 H MET 75 -16.805 11.135 15.204 512 HA MET 75 HA MET 75 -18.653 11.412 16.383 513 1HB MET 75 1HB MET 75 -18.135 8.810 17.872 514 2HB MET 75 2HB MET 75 -19.648 9.686 17.714 515 1HG MET 75 1HG MET 75 -18.123 8.230 15.529 516 2HG MET 75 2HG MET 75 -19.679 7.801 16.216 517 1HE MET 75 1HE MET 75 -21.921 9.163 15.783 518 2HE MET 75 2HE MET 75 -21.166 10.718 16.224 519 3HE MET 75 3HE MET 75 -22.027 10.555 14.679 520 H ASP 76 H ASP 76 -16.111 10.186 18.563 521 HA ASP 76 HA ASP 76 -16.773 11.977 20.753 522 1HB ASP 76 1HB ASP 76 -15.518 9.890 21.056 523 2HB ASP 76 2HB ASP 76 -14.233 10.495 20.005 524 H PHE 77 H PHE 77 -14.554 12.031 18.010 525 HA PHE 77 HA PHE 77 -13.859 13.745 16.708 526 1HB PHE 77 1HB PHE 77 -14.628 15.818 18.753 527 2HB PHE 77 2HB PHE 77 -14.288 16.039 17.051 528 HD1 PHE 77 HD1 PHE 77 -15.957 13.912 15.751 529 HD2 PHE 77 HD2 PHE 77 -16.851 16.509 19.080 530 HE1 PHE 77 HE1 PHE 77 -18.375 13.723 15.263 531 HE2 PHE 77 HE2 PHE 77 -19.259 16.367 18.533 532 HZ PHE 77 HZ PHE 77 -20.025 14.978 16.621 533 H ILE 78 H ILE 78 -12.331 12.229 18.419 534 HA ILE 78 HA ILE 78 -10.183 11.933 18.860 535 HB ILE 78 HB ILE 78 -9.814 14.561 17.354 536 1HG1 ILE 78 1HG1 ILE 78 -8.917 12.900 15.651 537 2HG1 ILE 78 2HG1 ILE 78 -9.662 11.612 16.599 538 1HG2 ILE 78 1HG2 ILE 78 -7.799 14.067 18.800 539 2HG2 ILE 78 2HG2 ILE 78 -7.695 12.483 17.996 540 3HG2 ILE 78 3HG2 ILE 78 -7.499 13.977 17.073 541 1HD1 ILE 78 1HD1 ILE 78 -11.122 13.979 15.350 542 2HD1 ILE 78 2HD1 ILE 78 -10.920 12.373 14.600 543 3HD1 ILE 78 3HD1 ILE 78 -11.870 12.537 16.072 544 H TYR 79 H TYR 79 -10.377 15.449 19.304 545 HA TYR 79 HA TYR 79 -8.345 15.579 21.156 546 1HB TYR 79 1HB TYR 79 -10.549 17.644 21.094 547 2HB TYR 79 2HB TYR 79 -8.860 17.837 21.508 548 HD1 TYR 79 HD1 TYR 79 -7.119 17.184 19.608 549 HD2 TYR 79 HD2 TYR 79 -11.282 18.035 18.868 550 HE1 TYR 79 HE1 TYR 79 -6.668 17.312 17.172 551 HE2 TYR 79 HE2 TYR 79 -10.827 18.159 16.444 552 HH TYR 79 HH TYR 79 -9.250 17.915 14.772 553 HA PRO 80 HA PRO 80 -11.444 15.580 24.812 554 1HB PRO 80 1HB PRO 80 -13.519 13.677 23.762 555 2HB PRO 80 2HB PRO 80 -13.702 15.004 24.937 556 1HG PRO 80 1HG PRO 80 -14.471 15.384 22.352 557 2HG PRO 80 2HG PRO 80 -13.536 16.657 23.193 558 1HD PRO 80 1HD PRO 80 -12.489 14.533 21.304 559 2HD PRO 80 2HD PRO 80 -12.201 16.284 21.277 560 H GLY 81 H GLY 81 -10.348 12.866 22.877 561 1HA GLY 81 1HA GLY 81 -10.316 10.802 24.828 562 2HA GLY 81 2HA GLY 81 -9.087 11.080 23.581 563 H THR 82 H THR 82 -8.498 13.807 24.499 564 HA THR 82 HA THR 82 -6.673 13.390 26.707 565 HB THR 82 HB THR 82 -7.559 16.080 25.586 566 HG1 THR 82 HG1 THR 82 -7.198 14.988 23.776 567 1HG2 THR 82 1HG2 THR 82 -5.912 16.032 27.463 568 2HG2 THR 82 2HG2 THR 82 -4.852 14.988 26.484 569 3HG2 THR 82 3HG2 THR 82 -5.201 16.648 25.959 570 H ARG 83 H ARG 83 -8.809 12.494 27.817 571 HA ARG 83 HA ARG 83 -10.128 12.530 29.552 572 1HB ARG 83 1HB ARG 83 -8.377 13.760 30.703 573 2HB ARG 83 2HB ARG 83 -9.037 15.302 30.163 574 1HG ARG 83 1HG ARG 83 -9.534 14.893 32.484 575 2HG ARG 83 2HG ARG 83 -11.018 15.031 31.545 576 1HD ARG 83 1HD ARG 83 -9.762 12.363 32.330 577 2HD ARG 83 2HD ARG 83 -10.967 13.206 33.329 578 HE ARG 83 HE ARG 83 -12.179 13.173 30.902 579 1HH1 ARG 83 1HH1 ARG 83 -10.945 10.517 32.880 580 2HH1 ARG 83 2HH1 ARG 83 -11.656 9.288 31.867 581 1HH2 ARG 83 1HH2 ARG 83 -12.933 11.701 29.570 582 2HH2 ARG 83 2HH2 ARG 83 -12.925 9.983 29.938 583 H ASN 84 H ASN 84 -10.412 15.768 28.023 584 HA ASN 84 HA ASN 84 -13.271 15.430 27.610 585 1HB ASN 84 1HB ASN 84 -13.468 15.898 29.933 586 2HB ASN 84 2HB ASN 84 -12.328 17.238 29.853 587 1HD2 ASN 84 2HD2 ASN 84 -15.529 16.145 28.581 588 2HD2 ASN 84 1HD2 ASN 84 -16.178 17.770 28.439 589 HA PRO 85 HA PRO 85 -12.080 19.595 25.646 590 1HB PRO 85 1HB PRO 85 -9.493 20.529 25.788 591 2HB PRO 85 2HB PRO 85 -10.770 20.957 26.962 592 1HG PRO 85 1HG PRO 85 -8.671 18.782 27.237 593 2HG PRO 85 2HG PRO 85 -9.099 20.049 28.425 594 1HD PRO 85 1HD PRO 85 -10.135 17.580 28.635 595 2HD PRO 85 2HD PRO 85 -11.187 18.996 28.903 Start of MODEL 3 1 1H LYS 1 1H LYS 1 7.517 1.624 -4.720 2 2H LYS 1 2H LYS 1 8.455 0.915 -5.870 3 3H LYS 1 3H LYS 1 9.145 1.859 -4.705 4 HA LYS 1 HA LYS 1 8.023 3.782 -5.521 5 1HB LYS 1 1HB LYS 1 9.186 3.907 -7.783 6 2HB LYS 1 2HB LYS 1 10.172 3.654 -6.337 7 1HG LYS 1 1HG LYS 1 10.530 1.333 -6.857 8 2HG LYS 1 2HG LYS 1 9.285 1.347 -8.108 9 1HD LYS 1 1HD LYS 1 11.540 1.397 -9.093 10 2HD LYS 1 2HD LYS 1 10.574 2.806 -9.533 11 1HE LYS 1 1HE LYS 1 12.918 3.404 -9.022 12 2HE LYS 1 2HE LYS 1 11.787 4.221 -7.944 13 1HZ LYS 1 1HZ LYS 1 13.322 1.793 -7.303 14 2HZ LYS 1 2HZ LYS 1 13.661 3.317 -6.776 15 3HZ LYS 1 3HZ LYS 1 12.281 2.565 -6.284 16 H ALA 2 H ALA 2 5.780 3.688 -5.637 17 HA ALA 2 HA ALA 2 4.463 2.161 -7.814 18 1HB ALA 2 1HB ALA 2 3.485 2.080 -5.562 19 2HB ALA 2 2HB ALA 2 3.297 3.843 -5.577 20 3HB ALA 2 3HB ALA 2 2.391 2.845 -6.730 21 H THR 3 H THR 3 5.922 3.581 -9.146 22 HA THR 3 HA THR 3 6.404 5.515 -10.347 23 HB THR 3 HB THR 3 4.857 5.500 -12.297 24 HG1 THR 3 HG1 THR 3 3.434 3.584 -10.751 25 1HG2 THR 3 1HG2 THR 3 6.678 3.828 -12.108 26 2HG2 THR 3 2HG2 THR 3 5.584 2.719 -11.252 27 3HG2 THR 3 3HG2 THR 3 5.253 3.173 -12.933 28 H MET 4 H MET 4 3.015 6.076 -10.755 29 HA MET 4 HA MET 4 2.965 8.475 -9.024 30 1HB MET 4 1HB MET 4 2.178 8.492 -11.973 31 2HB MET 4 2HB MET 4 1.806 9.766 -10.797 32 1HG MET 4 1HG MET 4 4.212 10.181 -10.450 33 2HG MET 4 2HG MET 4 4.615 8.867 -11.555 34 1HE MET 4 1HE MET 4 3.123 12.493 -11.293 35 2HE MET 4 2HE MET 4 2.765 12.841 -12.997 36 3HE MET 4 3HE MET 4 1.791 11.644 -12.122 37 H GLN 5 H GLN 5 2.047 6.412 -8.052 38 HA GLN 5 HA GLN 5 0.072 4.901 -8.679 39 1HB GLN 5 1HB GLN 5 1.352 5.011 -6.552 40 2HB GLN 5 2HB GLN 5 0.201 6.153 -5.905 41 1HG GLN 5 1HG GLN 5 -0.926 3.571 -6.972 42 2HG GLN 5 2HG GLN 5 0.146 3.443 -5.583 43 1HE2 GLN 5 2HE2 GLN 5 -2.865 5.011 -6.689 44 2HE2 GLN 5 1HE2 GLN 5 -3.532 5.205 -5.068 45 H CYS 6 H CYS 6 -0.748 8.311 -8.067 46 HA CYS 6 HA CYS 6 -3.355 8.083 -9.105 47 1HB CYS 6 1HB CYS 6 -4.756 8.323 -7.187 48 2HB CYS 6 2HB CYS 6 -3.772 6.920 -6.859 49 H GLY 7 H GLY 7 -4.592 10.244 -8.647 50 1HA GLY 7 1HA GLY 7 -2.936 12.567 -7.948 51 2HA GLY 7 2HA GLY 7 -3.178 12.311 -9.678 52 H GLU 8 H GLU 8 -5.107 12.258 -6.660 53 HA GLU 8 HA GLU 8 -7.027 14.222 -7.729 54 1HB GLU 8 1HB GLU 8 -7.874 11.531 -6.543 55 2HB GLU 8 2HB GLU 8 -8.950 12.871 -7.008 56 1HG GLU 8 1HG GLU 8 -8.174 12.643 -9.367 57 2HG GLU 8 2HG GLU 8 -7.225 11.222 -8.896 58 H ASN 9 H ASN 9 -8.431 12.992 -5.032 59 HA ASN 9 HA ASN 9 -7.442 14.970 -3.179 60 1HB ASN 9 1HB ASN 9 -8.792 13.713 -1.533 61 2HB ASN 9 2HB ASN 9 -9.724 14.148 -2.971 62 1HD2 ASN 9 2HD2 ASN 9 -10.043 11.895 -0.910 63 2HD2 ASN 9 1HD2 ASN 9 -10.173 10.454 -1.916 64 H GLU 10 H GLU 10 -7.061 11.472 -3.647 65 HA GLU 10 HA GLU 10 -4.678 11.334 -1.882 66 1HB GLU 10 1HB GLU 10 -4.578 8.977 -2.783 67 2HB GLU 10 2HB GLU 10 -5.997 9.335 -1.808 68 1HG GLU 10 1HG GLU 10 -7.438 9.475 -3.738 69 2HG GLU 10 2HG GLU 10 -6.073 9.348 -4.854 70 H LYS 11 H LYS 11 -2.593 11.618 -2.826 71 HA LYS 11 HA LYS 11 -2.489 12.073 -5.773 72 1HB LYS 11 1HB LYS 11 -3.100 14.211 -4.662 73 2HB LYS 11 2HB LYS 11 -1.695 14.043 -3.596 74 1HG LYS 11 1HG LYS 11 -0.220 14.088 -5.632 75 2HG LYS 11 2HG LYS 11 -1.645 14.403 -6.631 76 1HD LYS 11 1HD LYS 11 -2.023 16.519 -5.519 77 2HD LYS 11 2HD LYS 11 -0.824 16.160 -4.264 78 1HE LYS 11 1HE LYS 11 -0.148 16.445 -7.230 79 2HE LYS 11 2HE LYS 11 0.010 17.741 -6.033 80 1HZ LYS 11 1HZ LYS 11 1.559 16.395 -4.831 81 2HZ LYS 11 2HZ LYS 11 1.446 15.169 -5.920 82 3HZ LYS 11 3HZ LYS 11 2.073 16.621 -6.378 83 H TYR 12 H TYR 12 -0.619 11.408 -6.682 84 HA TYR 12 HA TYR 12 1.454 10.066 -5.445 85 1HB TYR 12 1HB TYR 12 1.434 9.844 -7.714 86 2HB TYR 12 2HB TYR 12 1.117 11.548 -7.999 87 HD1 TYR 12 HD1 TYR 12 3.911 9.438 -6.540 88 HD2 TYR 12 HD2 TYR 12 2.778 12.888 -8.869 89 HE1 TYR 12 HE1 TYR 12 6.241 10.285 -6.458 90 HE2 TYR 12 HE2 TYR 12 5.142 13.603 -8.952 91 HH TYR 12 HH TYR 12 7.586 12.248 -6.821 92 H ASP 13 H ASP 13 3.226 10.562 -4.271 93 HA ASP 13 HA ASP 13 4.550 13.128 -4.560 94 1HB ASP 13 1HB ASP 13 3.061 13.654 -2.673 95 2HB ASP 13 2HB ASP 13 3.550 12.148 -1.861 96 H SER 14 H SER 14 6.749 12.964 -3.828 97 HA SER 14 HA SER 14 7.886 10.378 -4.346 98 1HB SER 14 1HB SER 14 9.201 12.941 -3.455 99 2HB SER 14 2HB SER 14 9.980 11.545 -4.223 100 HG SER 14 HG SER 14 9.383 13.245 -5.716 101 H CYS 15 H CYS 15 6.341 9.918 -1.952 102 HA CYS 15 HA CYS 15 8.502 9.108 -0.234 103 1HB CYS 15 1HB CYS 15 8.228 11.598 0.340 104 2HB CYS 15 2HB CYS 15 6.713 11.134 1.115 105 H GLY 16 H GLY 16 7.110 7.210 -1.031 106 1HA GLY 16 1HA GLY 16 6.268 5.301 -0.186 107 2HA GLY 16 2HA GLY 16 6.387 6.007 1.430 108 H SER 17 H SER 17 4.535 4.199 0.990 109 HA SER 17 HA SER 17 2.060 4.941 -0.051 110 1HB SER 17 1HB SER 17 2.588 2.913 2.162 111 2HB SER 17 2HB SER 17 1.386 2.835 0.861 112 HG SER 17 HG SER 17 3.213 2.725 -0.603 113 H LYS 18 H LYS 18 1.721 7.115 0.838 114 HA LYS 18 HA LYS 18 0.813 8.610 2.260 115 1HB LYS 18 1HB LYS 18 -0.715 6.271 3.493 116 2HB LYS 18 2HB LYS 18 -1.125 7.985 3.518 117 1HG LYS 18 1HG LYS 18 -2.468 7.430 1.785 118 2HG LYS 18 2HG LYS 18 -1.005 7.715 0.862 119 1HD LYS 18 1HD LYS 18 -0.747 5.009 1.469 120 2HD LYS 18 2HD LYS 18 -2.494 5.201 1.399 121 1HE LYS 18 1HE LYS 18 -2.116 6.390 -0.880 122 2HE LYS 18 2HE LYS 18 -0.438 5.844 -0.767 123 1HZ LYS 18 1HZ LYS 18 -1.238 3.598 -0.676 124 2HZ LYS 18 2HZ LYS 18 -2.799 4.114 -0.818 125 3HZ LYS 18 3HZ LYS 18 -1.733 4.361 -2.050 126 H GLU 19 H GLU 19 3.314 7.675 2.945 127 HA GLU 19 HA GLU 19 3.958 6.678 5.384 128 1HB GLU 19 1HB GLU 19 5.473 7.236 3.512 129 2HB GLU 19 2HB GLU 19 5.413 8.942 3.989 130 1HG GLU 19 1HG GLU 19 6.368 8.334 6.192 131 2HG GLU 19 2HG GLU 19 6.397 6.625 5.729 132 H CYS 20 H CYS 20 2.454 7.301 6.927 133 HA CYS 20 HA CYS 20 1.214 8.516 8.313 134 1HB CYS 20 1HB CYS 20 2.230 9.636 10.096 135 2HB CYS 20 2HB CYS 20 3.225 8.251 9.719 136 H ASP 21 H ASP 21 1.238 9.645 5.702 137 HA ASP 21 HA ASP 21 1.459 12.561 6.050 138 1HB ASP 21 1HB ASP 21 2.105 11.651 3.901 139 2HB ASP 21 2HB ASP 21 0.499 10.915 3.694 140 H LYS 22 H LYS 22 -0.070 13.533 7.188 141 HA LYS 22 HA LYS 22 -2.019 13.925 8.289 142 1HB LYS 22 1HB LYS 22 -3.125 13.668 5.462 143 2HB LYS 22 2HB LYS 22 -3.899 14.496 6.820 144 1HG LYS 22 1HG LYS 22 -1.371 15.341 5.377 145 2HG LYS 22 2HG LYS 22 -2.952 16.130 5.425 146 1HD LYS 22 1HD LYS 22 -2.544 16.223 8.045 147 2HD LYS 22 2HD LYS 22 -0.853 15.934 7.610 148 1HE LYS 22 1HE LYS 22 -1.079 18.285 7.793 149 2HE LYS 22 2HE LYS 22 -1.059 17.975 6.049 150 1HZ LYS 22 1HZ LYS 22 -3.471 18.365 7.704 151 2HZ LYS 22 2HZ LYS 22 -2.779 19.510 6.740 152 3HZ LYS 22 3HZ LYS 22 -3.447 18.169 6.062 153 H LYS 23 H LYS 23 -1.479 11.623 9.082 154 HA LYS 23 HA LYS 23 -3.660 9.702 8.667 155 1HB LYS 23 1HB LYS 23 -2.614 8.787 10.914 156 2HB LYS 23 2HB LYS 23 -1.957 8.460 9.325 157 1HG LYS 23 1HG LYS 23 -0.138 8.892 10.793 158 2HG LYS 23 2HG LYS 23 -0.226 10.122 9.558 159 1HD LYS 23 1HD LYS 23 0.359 11.214 11.598 160 2HD LYS 23 2HD LYS 23 -1.295 11.685 11.248 161 1HE LYS 23 1HE LYS 23 -1.199 11.192 13.581 162 2HE LYS 23 2HE LYS 23 -2.062 9.838 12.851 163 1HZ LYS 23 1HZ LYS 23 0.070 8.637 12.876 164 2HZ LYS 23 2HZ LYS 23 0.783 9.916 13.615 165 3HZ LYS 23 3HZ LYS 23 -0.412 9.087 14.388 166 H CYS 24 H CYS 24 -5.596 9.785 9.625 167 HA CYS 24 HA CYS 24 -6.297 11.972 11.439 168 1HB CYS 24 1HB CYS 24 -7.827 10.955 9.714 169 2HB CYS 24 2HB CYS 24 -7.836 9.473 10.672 170 H LYS 25 H LYS 25 -7.425 11.234 13.671 171 HA LYS 25 HA LYS 25 -6.287 8.775 14.804 172 1HB LYS 25 1HB LYS 25 -5.790 11.559 15.901 173 2HB LYS 25 2HB LYS 25 -5.774 10.138 16.936 174 1HG LYS 25 1HG LYS 25 -3.922 10.691 14.590 175 2HG LYS 25 2HG LYS 25 -3.515 10.714 16.304 176 1HD LYS 25 1HD LYS 25 -4.135 8.279 14.577 177 2HD LYS 25 2HD LYS 25 -2.636 8.693 15.385 178 1HE LYS 25 1HE LYS 25 -3.695 8.302 17.593 179 2HE LYS 25 2HE LYS 25 -5.237 7.923 16.797 180 1HZ LYS 25 1HZ LYS 25 -4.182 6.126 15.668 181 2HZ LYS 25 2HZ LYS 25 -2.755 6.425 16.441 182 3HZ LYS 25 3HZ LYS 25 -4.076 5.954 17.307 183 H TYR 26 H TYR 26 -8.023 7.742 15.347 184 HA TYR 26 HA TYR 26 -10.016 8.727 17.197 185 1HB TYR 26 1HB TYR 26 -11.941 8.697 15.782 186 2HB TYR 26 2HB TYR 26 -10.818 9.877 15.126 187 HD1 TYR 26 HD1 TYR 26 -9.146 8.803 13.253 188 HD2 TYR 26 HD2 TYR 26 -13.089 7.360 14.239 189 HE1 TYR 26 HE1 TYR 26 -9.239 7.601 11.132 190 HE2 TYR 26 HE2 TYR 26 -13.188 6.234 12.034 191 HH TYR 26 HH TYR 26 -10.367 6.155 9.829 192 H ASP 27 H ASP 27 -9.077 6.407 14.720 193 HA ASP 27 HA ASP 27 -9.627 4.292 14.324 194 1HB ASP 27 1HB ASP 27 -8.301 2.801 15.726 195 2HB ASP 27 2HB ASP 27 -7.450 4.267 15.239 196 H GLY 28 H GLY 28 -10.199 3.812 17.863 197 1HA GLY 28 1HA GLY 28 -11.946 2.751 18.885 198 2HA GLY 28 2HA GLY 28 -12.997 3.248 17.551 199 H VAL 29 H VAL 29 -13.032 1.907 15.648 200 HA VAL 29 HA VAL 29 -12.245 -0.956 16.050 201 HB VAL 29 HB VAL 29 -14.423 0.173 14.242 202 1HG1 VAL 29 1HG1 VAL 29 -13.655 -2.675 14.988 203 2HG1 VAL 29 2HG1 VAL 29 -15.121 -2.210 14.100 204 3HG1 VAL 29 3HG1 VAL 29 -13.535 -1.926 13.381 205 1HG2 VAL 29 1HG2 VAL 29 -14.633 -1.219 16.948 206 2HG2 VAL 29 2HG2 VAL 29 -15.086 0.463 16.596 207 3HG2 VAL 29 3HG2 VAL 29 -15.997 -0.863 15.867 208 H GLU 30 H GLU 30 -11.873 1.962 14.066 209 HA GLU 30 HA GLU 30 -10.916 0.544 11.725 210 1HB GLU 30 1HB GLU 30 -10.445 3.474 12.367 211 2HB GLU 30 2HB GLU 30 -10.448 2.667 10.800 212 1HG GLU 30 1HG GLU 30 -12.798 3.311 12.607 213 2HG GLU 30 2HG GLU 30 -12.487 3.891 10.980 214 H GLU 31 H GLU 31 -9.490 -0.858 12.934 215 HA GLU 31 HA GLU 31 -7.260 -0.293 14.344 216 1HB GLU 31 1HB GLU 31 -8.153 -2.558 13.706 217 2HB GLU 31 2HB GLU 31 -7.376 -2.384 12.121 218 1HG GLU 31 1HG GLU 31 -5.157 -2.223 13.258 219 2HG GLU 31 2HG GLU 31 -5.980 -2.344 14.829 220 H GLU 32 H GLU 32 -7.527 -0.029 10.847 221 HA GLU 32 HA GLU 32 -4.891 0.405 10.073 222 1HB GLU 32 1HB GLU 32 -7.387 1.774 9.020 223 2HB GLU 32 2HB GLU 32 -5.830 1.688 8.188 224 1HG GLU 32 1HG GLU 32 -5.994 -0.781 8.092 225 2HG GLU 32 2HG GLU 32 -7.586 -0.718 8.866 226 H ASP 33 H ASP 33 -6.881 2.479 11.985 227 HA ASP 33 HA ASP 33 -5.283 4.916 11.423 228 1HB ASP 33 1HB ASP 33 -7.746 4.978 11.279 229 2HB ASP 33 2HB ASP 33 -7.853 4.491 12.971 230 H ASP 34 H ASP 34 -4.984 2.299 13.537 231 HA ASP 34 HA ASP 34 -3.212 3.985 15.152 232 1HB ASP 34 1HB ASP 34 -3.832 3.151 17.290 233 2HB ASP 34 2HB ASP 34 -5.174 4.010 16.538 234 H GLU 35 H GLU 35 -4.261 0.527 15.095 235 HA GLU 35 HA GLU 35 -1.428 -0.172 15.585 236 1HB GLU 35 1HB GLU 35 -3.751 -2.085 15.256 237 2HB GLU 35 2HB GLU 35 -2.171 -2.384 15.971 238 1HG GLU 35 1HG GLU 35 -4.424 -0.671 17.103 239 2HG GLU 35 2HG GLU 35 -3.763 -2.163 17.761 240 H GLU 36 H GLU 36 -1.138 1.024 13.389 241 HA GLU 36 HA GLU 36 -0.718 -1.079 11.358 242 1HB GLU 36 1HB GLU 36 -2.823 -0.002 10.796 243 2HB GLU 36 2HB GLU 36 -2.063 1.598 10.850 244 1HG GLU 36 1HG GLU 36 -0.521 0.880 9.011 245 2HG GLU 36 2HG GLU 36 -1.358 -0.682 8.950 246 HA PRO 37 HA PRO 37 3.368 0.744 11.937 247 1HB PRO 37 1HB PRO 37 3.493 -0.112 9.023 248 2HB PRO 37 2HB PRO 37 4.793 -0.209 10.248 249 1HG PRO 37 1HG PRO 37 3.310 -2.394 9.762 250 2HG PRO 37 2HG PRO 37 3.604 -1.910 11.459 251 1HD PRO 37 1HD PRO 37 1.121 -1.486 9.800 252 2HD PRO 37 2HD PRO 37 1.291 -1.943 11.524 253 H ASN 38 H ASN 38 1.434 1.726 9.075 254 HA ASN 38 HA ASN 38 2.999 3.950 8.346 255 1HB ASN 38 1HB ASN 38 1.122 3.029 6.973 256 2HB ASN 38 2HB ASN 38 -0.033 3.716 8.135 257 1HD2 ASN 38 2HD2 ASN 38 -0.858 5.733 7.356 258 2HD2 ASN 38 1HD2 ASN 38 0.124 6.807 6.340 259 H VAL 39 H VAL 39 0.582 3.621 10.943 260 HA VAL 39 HA VAL 39 -0.002 6.377 11.159 261 HB VAL 39 HB VAL 39 -0.335 4.151 13.191 262 1HG1 VAL 39 1HG1 VAL 39 -1.484 6.980 13.141 263 2HG1 VAL 39 2HG1 VAL 39 -1.963 5.691 14.254 264 3HG1 VAL 39 3HG1 VAL 39 -0.328 6.356 14.344 265 1HG2 VAL 39 1HG2 VAL 39 -1.576 3.910 11.022 266 2HG2 VAL 39 2HG2 VAL 39 -2.616 4.144 12.422 267 3HG2 VAL 39 3HG2 VAL 39 -2.315 5.495 11.311 268 HA PRO 40 HA PRO 40 3.575 7.029 14.181 269 1HB PRO 40 1HB PRO 40 5.152 5.069 15.170 270 2HB PRO 40 2HB PRO 40 3.500 5.323 15.785 271 1HG PRO 40 1HG PRO 40 4.350 3.357 13.629 272 2HG PRO 40 2HG PRO 40 3.462 2.989 15.138 273 1HD PRO 40 1HD PRO 40 2.158 3.431 12.806 274 2HD PRO 40 2HD PRO 40 1.513 4.050 14.356 275 H CYS 41 H CYS 41 3.548 6.679 11.257 276 HA CYS 41 HA CYS 41 4.848 6.636 9.435 277 1HB CYS 41 1HB CYS 41 5.546 8.691 11.203 278 2HB CYS 41 2HB CYS 41 7.101 8.067 10.722 279 H LEU 42 H LEU 42 5.294 4.136 10.845 280 HA LEU 42 HA LEU 42 8.133 3.742 11.077 281 1HB LEU 42 1HB LEU 42 5.946 2.476 12.081 282 2HB LEU 42 2HB LEU 42 6.300 1.404 10.732 283 HG LEU 42 HG LEU 42 7.269 0.552 12.730 284 1HD1 LEU 42 1HD1 LEU 42 8.684 0.343 10.675 285 2HD1 LEU 42 2HD1 LEU 42 9.618 1.758 11.227 286 3HD1 LEU 42 3HD1 LEU 42 9.591 0.281 12.197 287 1HD2 LEU 42 1HD2 LEU 42 7.323 2.651 14.037 288 2HD2 LEU 42 2HD2 LEU 42 8.829 1.727 14.164 289 3HD2 LEU 42 3HD2 LEU 42 8.766 3.173 13.146 290 H VAL 43 H VAL 43 5.832 3.397 8.468 291 HA VAL 43 HA VAL 43 7.411 1.656 6.810 292 HB VAL 43 HB VAL 43 5.786 2.161 5.062 293 1HG1 VAL 43 1HG1 VAL 43 5.324 0.484 6.848 294 2HG1 VAL 43 2HG1 VAL 43 4.457 1.734 7.767 295 3HG1 VAL 43 3HG1 VAL 43 3.852 1.211 6.186 296 1HG2 VAL 43 1HG2 VAL 43 4.746 4.310 6.953 297 2HG2 VAL 43 2HG2 VAL 43 5.150 4.452 5.236 298 3HG2 VAL 43 3HG2 VAL 43 3.736 3.535 5.715 299 H ARG 44 H ARG 44 9.429 2.927 7.251 300 HA ARG 44 HA ARG 44 9.882 5.449 6.123 301 1HB ARG 44 1HB ARG 44 11.214 3.965 7.883 302 2HB ARG 44 2HB ARG 44 12.073 3.392 6.457 303 1HG ARG 44 1HG ARG 44 13.461 5.121 6.942 304 2HG ARG 44 2HG ARG 44 12.288 6.092 6.058 305 1HD ARG 44 1HD ARG 44 12.528 5.685 9.073 306 2HD ARG 44 2HD ARG 44 12.806 7.186 8.197 307 HE ARG 44 HE ARG 44 10.295 6.099 9.144 308 1HH1 ARG 44 1HH1 ARG 44 11.657 8.123 6.571 309 2HH1 ARG 44 2HH1 ARG 44 10.101 8.809 6.145 310 1HH2 ARG 44 1HH2 ARG 44 8.344 7.086 8.672 311 2HH2 ARG 44 2HH2 ARG 44 8.246 8.354 7.460 312 H VAL 45 H VAL 45 8.820 3.435 4.074 313 HA VAL 45 HA VAL 45 10.993 3.238 2.080 314 HB VAL 45 HB VAL 45 9.192 2.123 0.733 315 1HG1 VAL 45 1HG1 VAL 45 10.898 0.864 1.961 316 2HG1 VAL 45 2HG1 VAL 45 9.886 0.874 3.421 317 3HG1 VAL 45 3HG1 VAL 45 9.350 0.006 1.967 318 1HG2 VAL 45 1HG2 VAL 45 7.176 3.031 2.018 319 2HG2 VAL 45 2HG2 VAL 45 7.196 1.280 1.779 320 3HG2 VAL 45 3HG2 VAL 45 7.633 1.955 3.352 321 H CYS 46 H CYS 46 11.055 5.663 2.411 322 HA CYS 46 HA CYS 46 8.995 7.324 1.306 323 1HB CYS 46 1HB CYS 46 10.773 7.993 2.962 324 2HB CYS 46 2HB CYS 46 11.917 7.954 1.600 325 H HIS 47 H HIS 47 8.911 5.735 -0.652 326 HA HIS 47 HA HIS 47 10.459 6.923 -2.911 327 1HB HIS 47 1HB HIS 47 10.227 4.767 -4.056 328 2HB HIS 47 2HB HIS 47 11.234 4.687 -2.613 329 HD1 HIS 47 HD1 HIS 47 7.410 4.373 -2.276 330 HD2 HIS 47 HD2 HIS 47 10.903 2.035 -2.435 331 HE1 HIS 47 HE1 HIS 47 6.724 1.996 -1.665 332 H GLN 48 H GLN 48 9.273 7.710 -4.422 333 HA GLN 48 HA GLN 48 6.867 8.612 -4.727 334 1HB GLN 48 1HB GLN 48 6.779 8.115 -7.092 335 2HB GLN 48 2HB GLN 48 8.406 8.571 -6.567 336 1HG GLN 48 1HG GLN 48 8.944 6.068 -6.472 337 2HG GLN 48 2HG GLN 48 7.398 5.790 -7.297 338 1HE2 GLN 48 2HE2 GLN 48 7.160 7.633 -9.227 339 2HE2 GLN 48 1HE2 GLN 48 8.559 7.608 -10.298 340 H ASP 49 H ASP 49 4.902 8.220 -4.107 341 HA ASP 49 HA ASP 49 3.374 6.027 -5.040 342 1HB ASP 49 1HB ASP 49 4.786 5.010 -3.051 343 2HB ASP 49 2HB ASP 49 3.820 6.071 -2.031 344 H CYS 50 H CYS 50 1.166 6.303 -3.324 345 HA CYS 50 HA CYS 50 0.670 9.206 -3.588 346 1HB CYS 50 1HB CYS 50 -1.179 6.859 -3.365 347 2HB CYS 50 2HB CYS 50 -1.694 8.489 -2.892 348 H VAL 51 H VAL 51 -0.215 10.488 -2.124 349 HA VAL 51 HA VAL 51 -0.234 9.814 0.733 350 HB VAL 51 HB VAL 51 0.829 11.905 1.298 351 1HG1 VAL 51 1HG1 VAL 51 2.303 9.959 1.046 352 2HG1 VAL 51 2HG1 VAL 51 2.618 10.401 -0.640 353 3HG1 VAL 51 3HG1 VAL 51 3.133 11.475 0.673 354 1HG2 VAL 51 1HG2 VAL 51 1.244 12.395 -1.665 355 2HG2 VAL 51 2HG2 VAL 51 0.168 13.318 -0.603 356 3HG2 VAL 51 3HG2 VAL 51 1.913 13.371 -0.340 357 H CYS 52 H CYS 52 -1.309 12.320 1.550 358 HA CYS 52 HA CYS 52 -3.763 12.547 -0.165 359 1HB CYS 52 1HB CYS 52 -3.335 13.289 2.756 360 2HB CYS 52 2HB CYS 52 -4.783 13.562 1.796 361 H GLU 53 H GLU 53 -4.260 14.568 -1.018 362 HA GLU 53 HA GLU 53 -2.274 16.663 -0.939 363 1HB GLU 53 1HB GLU 53 -3.870 16.448 -2.755 364 2HB GLU 53 2HB GLU 53 -5.240 16.684 -1.674 365 1HG GLU 53 1HG GLU 53 -3.075 18.795 -1.946 366 2HG GLU 53 2HG GLU 53 -4.401 18.664 -3.109 367 H GLU 54 H GLU 54 -1.938 18.042 0.688 368 HA GLU 54 HA GLU 54 -2.256 17.640 3.205 369 1HB GLU 54 1HB GLU 54 -2.375 20.436 2.002 370 2HB GLU 54 2HB GLU 54 -1.959 20.058 3.681 371 1HG GLU 54 1HG GLU 54 -0.044 18.650 2.865 372 2HG GLU 54 2HG GLU 54 -0.382 19.190 1.212 373 H GLY 55 H GLY 55 -4.892 19.457 1.577 374 1HA GLY 55 1HA GLY 55 -6.332 20.216 3.893 375 2HA GLY 55 2HA GLY 55 -7.019 19.938 2.286 376 H PHE 56 H PHE 56 -5.976 17.045 2.463 377 HA PHE 56 HA PHE 56 -8.383 15.961 3.821 378 1HB PHE 56 1HB PHE 56 -6.673 14.821 1.612 379 2HB PHE 56 2HB PHE 56 -8.224 14.227 2.177 380 HD1 PHE 56 HD1 PHE 56 -10.007 16.531 2.244 381 HD2 PHE 56 HD2 PHE 56 -6.836 15.643 -0.533 382 HE1 PHE 56 HE1 PHE 56 -11.113 17.932 0.542 383 HE2 PHE 56 HE2 PHE 56 -7.919 17.110 -2.225 384 HZ PHE 56 HZ PHE 56 -10.072 18.234 -1.699 385 H TYR 57 H TYR 57 -8.220 13.917 4.958 386 HA TYR 57 HA TYR 57 -5.486 13.165 5.845 387 1HB TYR 57 1HB TYR 57 -8.119 13.370 7.370 388 2HB TYR 57 2HB TYR 57 -6.753 12.419 7.934 389 HD1 TYR 57 HD1 TYR 57 -7.466 15.956 6.765 390 HD2 TYR 57 HD2 TYR 57 -5.283 13.392 9.461 391 HE1 TYR 57 HE1 TYR 57 -6.339 17.925 7.718 392 HE2 TYR 57 HE2 TYR 57 -4.148 15.364 10.408 393 HH TYR 57 HH TYR 57 -3.860 17.658 10.277 394 H ARG 58 H ARG 58 -5.022 10.995 5.818 395 HA ARG 58 HA ARG 58 -6.866 9.308 4.242 396 1HB ARG 58 1HB ARG 58 -5.258 7.472 4.758 397 2HB ARG 58 2HB ARG 58 -4.704 8.760 3.707 398 1HG ARG 58 1HG ARG 58 -2.994 9.295 5.030 399 2HG ARG 58 2HG ARG 58 -3.989 9.354 6.488 400 1HD ARG 58 1HD ARG 58 -2.982 6.783 5.230 401 2HD ARG 58 2HD ARG 58 -2.198 7.643 6.572 402 HE ARG 58 HE ARG 58 -4.831 7.360 7.390 403 1HH1 ARG 58 1HH1 ARG 58 -2.461 4.999 6.253 404 2HH1 ARG 58 2HH1 ARG 58 -2.828 3.821 7.488 405 1HH2 ARG 58 1HH2 ARG 58 -5.291 5.842 9.034 406 2HH2 ARG 58 2HH2 ARG 58 -4.436 4.317 9.123 407 H ASN 59 H ASN 59 -8.731 9.154 5.354 408 HA ASN 59 HA ASN 59 -9.054 9.014 8.101 409 1HB ASN 59 1HB ASN 59 -10.891 7.576 6.135 410 2HB ASN 59 2HB ASN 59 -11.255 8.047 7.780 411 1HD2 ASN 59 2HD2 ASN 59 -9.438 10.601 6.328 412 2HD2 ASN 59 1HD2 ASN 59 -10.784 11.606 5.980 413 H LYS 60 H LYS 60 -8.489 6.264 5.909 414 HA LYS 60 HA LYS 60 -7.428 4.689 8.059 415 1HB LYS 60 1HB LYS 60 -9.063 2.805 7.919 416 2HB LYS 60 2HB LYS 60 -9.625 4.232 8.770 417 1HG LYS 60 1HG LYS 60 -10.992 4.889 6.799 418 2HG LYS 60 2HG LYS 60 -10.423 3.433 5.938 419 1HD LYS 60 1HD LYS 60 -11.307 2.014 7.776 420 2HD LYS 60 2HD LYS 60 -11.975 3.455 8.559 421 1HE LYS 60 1HE LYS 60 -12.715 2.548 5.734 422 2HE LYS 60 2HE LYS 60 -13.608 2.104 7.199 423 1HZ LYS 60 1HZ LYS 60 -13.196 4.871 6.313 424 2HZ LYS 60 2HZ LYS 60 -14.572 3.986 6.116 425 3HZ LYS 60 3HZ LYS 60 -14.047 4.364 7.628 426 H ASP 61 H ASP 61 -8.901 4.458 4.825 427 HA ASP 61 HA ASP 61 -6.661 2.623 3.977 428 1HB ASP 61 1HB ASP 61 -8.704 1.343 4.359 429 2HB ASP 61 2HB ASP 61 -9.636 2.456 3.348 430 H ASP 62 H ASP 62 -5.757 4.760 3.411 431 HA ASP 62 HA ASP 62 -5.409 6.620 2.190 432 1HB ASP 62 1HB ASP 62 -4.697 4.710 0.658 433 2HB ASP 62 2HB ASP 62 -6.247 4.888 -0.174 434 H LYS 63 H LYS 63 -8.139 6.308 3.209 435 HA LYS 63 HA LYS 63 -9.954 7.514 1.242 436 1HB LYS 63 1HB LYS 63 -10.175 6.977 4.221 437 2HB LYS 63 2HB LYS 63 -11.497 7.582 3.208 438 1HG LYS 63 1HG LYS 63 -10.144 4.853 3.052 439 2HG LYS 63 2HG LYS 63 -11.770 5.217 3.640 440 1HD LYS 63 1HD LYS 63 -12.366 6.027 1.334 441 2HD LYS 63 2HD LYS 63 -10.753 5.508 0.777 442 1HE LYS 63 1HE LYS 63 -11.216 3.191 1.476 443 2HE LYS 63 2HE LYS 63 -12.840 3.668 2.020 444 1HZ LYS 63 1HZ LYS 63 -11.816 3.854 -0.726 445 2HZ LYS 63 2HZ LYS 63 -12.866 2.719 -0.156 446 3HZ LYS 63 3HZ LYS 63 -13.326 4.300 -0.233 447 H CYS 64 H CYS 64 -8.304 9.147 0.810 448 HA CYS 64 HA CYS 64 -7.594 11.142 2.718 449 1HB CYS 64 1HB CYS 64 -7.570 11.145 -0.303 450 2HB CYS 64 2HB CYS 64 -6.915 12.449 0.685 451 H VAL 65 H VAL 65 -9.548 11.804 3.775 452 HA VAL 65 HA VAL 65 -10.714 14.113 2.378 453 HB VAL 65 HB VAL 65 -12.995 13.646 3.247 454 1HG1 VAL 65 1HG1 VAL 65 -12.392 13.341 0.848 455 2HG1 VAL 65 2HG1 VAL 65 -12.081 11.619 1.172 456 3HG1 VAL 65 3HG1 VAL 65 -13.707 12.285 1.389 457 1HG2 VAL 65 1HG2 VAL 65 -12.462 11.860 4.857 458 2HG2 VAL 65 2HG2 VAL 65 -13.685 11.331 3.697 459 3HG2 VAL 65 3HG2 VAL 65 -12.011 10.767 3.533 460 H SER 66 H SER 66 -11.428 15.768 3.953 461 HA SER 66 HA SER 66 -9.431 16.142 5.778 462 1HB SER 66 1HB SER 66 -12.182 17.421 5.819 463 2HB SER 66 2HB SER 66 -10.664 18.129 6.411 464 HG SER 66 HG SER 66 -9.875 18.133 4.317 465 H ALA 67 H ALA 67 -9.382 16.444 8.104 466 HA ALA 67 HA ALA 67 -10.158 14.249 9.619 467 1HB ALA 67 1HB ALA 67 -8.427 15.842 10.303 468 2HB ALA 67 2HB ALA 67 -9.663 17.093 10.582 469 3HB ALA 67 3HB ALA 67 -9.633 15.625 11.584 470 H GLU 68 H GLU 68 -11.954 17.207 8.943 471 HA GLU 68 HA GLU 68 -14.173 16.960 10.664 472 1HB GLU 68 1HB GLU 68 -14.119 17.862 7.741 473 2HB GLU 68 2HB GLU 68 -15.372 18.226 8.933 474 1HG GLU 68 1HG GLU 68 -13.717 19.475 10.305 475 2HG GLU 68 2HG GLU 68 -12.451 19.148 9.112 476 H ASP 69 H ASP 69 -13.528 15.444 7.478 477 HA ASP 69 HA ASP 69 -16.067 14.046 7.319 478 1HB ASP 69 1HB ASP 69 -13.450 13.571 5.829 479 2HB ASP 69 2HB ASP 69 -15.012 12.863 5.440 480 H CYS 70 H CYS 70 -12.696 13.218 8.149 481 HA CYS 70 HA CYS 70 -12.702 10.527 8.433 482 1HB CYS 70 1HB CYS 70 -10.719 11.868 8.907 483 2HB CYS 70 2HB CYS 70 -11.504 12.513 10.363 484 H GLU 71 H GLU 71 -14.045 12.641 10.965 485 HA GLU 71 HA GLU 71 -14.716 10.417 12.688 486 1HB GLU 71 1HB GLU 71 -16.007 13.180 12.671 487 2HB GLU 71 2HB GLU 71 -15.925 12.014 13.996 488 1HG GLU 71 1HG GLU 71 -13.674 13.679 12.799 489 2HG GLU 71 2HG GLU 71 -14.286 13.701 14.449 490 H LEU 72 H LEU 72 -16.753 12.479 10.579 491 HA LEU 72 HA LEU 72 -19.190 11.079 10.915 492 1HB LEU 72 1HB LEU 72 -18.062 12.896 8.770 493 2HB LEU 72 2HB LEU 72 -19.629 12.130 8.551 494 HG LEU 72 HG LEU 72 -19.749 14.440 9.397 495 1HD1 LEU 72 1HD1 LEU 72 -21.598 12.814 9.734 496 2HD1 LEU 72 2HD1 LEU 72 -20.944 12.426 11.340 497 3HD1 LEU 72 3HD1 LEU 72 -21.523 14.060 10.990 498 1HD2 LEU 72 1HD2 LEU 72 -17.799 14.413 10.943 499 2HD2 LEU 72 2HD2 LEU 72 -19.285 15.000 11.703 500 3HD2 LEU 72 3HD2 LEU 72 -18.713 13.361 12.051 501 H ASP 73 H ASP 73 -16.459 10.436 8.827 502 HA ASP 73 HA ASP 73 -17.508 8.658 6.945 503 1HB ASP 73 1HB ASP 73 -15.202 9.654 6.931 504 2HB ASP 73 2HB ASP 73 -14.798 8.707 8.322 505 H ASN 74 H ASN 74 -16.984 8.173 10.398 506 HA ASN 74 HA ASN 74 -17.542 5.238 10.089 507 1HB ASN 74 1HB ASN 74 -15.392 6.437 11.859 508 2HB ASN 74 2HB ASN 74 -15.785 4.722 11.626 509 1HD2 ASN 74 2HD2 ASN 74 -14.204 7.588 10.128 510 2HD2 ASN 74 1HD2 ASN 74 -13.494 6.653 8.825 511 H MET 75 H MET 75 -17.175 7.916 12.455 512 HA MET 75 HA MET 75 -18.070 8.306 14.477 513 1HB MET 75 1HB MET 75 -20.553 7.042 13.259 514 2HB MET 75 2HB MET 75 -20.508 8.137 14.647 515 1HG MET 75 1HG MET 75 -19.552 9.919 13.259 516 2HG MET 75 2HG MET 75 -19.590 8.872 11.836 517 1HE MET 75 1HE MET 75 -21.664 8.213 10.490 518 2HE MET 75 2HE MET 75 -22.385 7.421 11.913 519 3HE MET 75 3HE MET 75 -23.335 8.589 10.970 520 H ASP 76 H ASP 76 -16.788 5.594 14.064 521 HA ASP 76 HA ASP 76 -18.299 3.767 15.759 522 1HB ASP 76 1HB ASP 76 -16.545 2.207 15.282 523 2HB ASP 76 2HB ASP 76 -17.086 2.973 13.784 524 H PHE 77 H PHE 77 -18.334 5.417 17.471 525 HA PHE 77 HA PHE 77 -17.933 5.755 19.669 526 1HB PHE 77 1HB PHE 77 -15.396 4.105 19.585 527 2HB PHE 77 2HB PHE 77 -16.387 4.534 20.961 528 HD1 PHE 77 HD1 PHE 77 -18.908 3.700 20.902 529 HD2 PHE 77 HD2 PHE 77 -15.702 1.969 18.593 530 HE1 PHE 77 HE1 PHE 77 -20.222 1.615 20.634 531 HE2 PHE 77 HE2 PHE 77 -17.017 -0.118 18.343 532 HZ PHE 77 HZ PHE 77 -19.281 -0.296 19.351 533 H ILE 78 H ILE 78 -14.972 5.958 17.688 534 HA ILE 78 HA ILE 78 -13.413 7.585 17.433 535 HB ILE 78 HB ILE 78 -15.360 9.440 18.875 536 1HG1 ILE 78 1HG1 ILE 78 -14.857 9.029 15.890 537 2HG1 ILE 78 2HG1 ILE 78 -16.235 8.354 16.765 538 1HG2 ILE 78 1HG2 ILE 78 -13.036 10.323 18.906 539 2HG2 ILE 78 2HG2 ILE 78 -12.943 10.113 17.157 540 3HG2 ILE 78 3HG2 ILE 78 -14.081 11.267 17.868 541 1HD1 ILE 78 1HD1 ILE 78 -16.961 10.642 17.410 542 2HD1 ILE 78 2HD1 ILE 78 -15.691 11.310 16.360 543 3HD1 ILE 78 3HD1 ILE 78 -16.983 10.327 15.665 544 H TYR 79 H TYR 79 -12.169 6.147 18.741 545 HA TYR 79 HA TYR 79 -11.635 7.068 21.534 546 1HB TYR 79 1HB TYR 79 -12.016 4.227 20.569 547 2HB TYR 79 2HB TYR 79 -11.290 4.677 22.110 548 HD1 TYR 79 HD1 TYR 79 -13.594 7.011 22.489 549 HD2 TYR 79 HD2 TYR 79 -13.419 2.730 21.931 550 HE1 TYR 79 HE1 TYR 79 -15.506 6.749 23.961 551 HE2 TYR 79 HE2 TYR 79 -15.306 2.472 23.510 552 HH TYR 79 HH TYR 79 -16.877 5.259 25.077 553 HA PRO 80 HA PRO 80 -7.609 7.240 19.245 554 1HB PRO 80 1HB PRO 80 -7.413 8.531 21.991 555 2HB PRO 80 2HB PRO 80 -6.433 8.910 20.536 556 1HG PRO 80 1HG PRO 80 -8.589 10.437 21.071 557 2HG PRO 80 2HG PRO 80 -8.408 9.795 19.408 558 1HD PRO 80 1HD PRO 80 -10.184 8.794 21.624 559 2HD PRO 80 2HD PRO 80 -10.528 8.918 19.883 560 H GLY 81 H GLY 81 -6.761 5.172 19.289 561 1HA GLY 81 1HA GLY 81 -5.479 3.422 20.083 562 2HA GLY 81 2HA GLY 81 -5.361 4.205 21.664 563 H THR 82 H THR 82 -8.453 3.647 20.112 564 HA THR 82 HA THR 82 -10.278 2.588 20.659 565 HB THR 82 HB THR 82 -9.075 0.893 19.396 566 HG1 THR 82 HG1 THR 82 -10.929 0.043 19.628 567 1HG2 THR 82 1HG2 THR 82 -8.302 -0.280 22.100 568 2HG2 THR 82 2HG2 THR 82 -8.295 -1.174 20.568 569 3HG2 THR 82 3HG2 THR 82 -7.224 0.212 20.772 570 H ARG 83 H ARG 83 -10.856 0.445 22.315 571 HA ARG 83 HA ARG 83 -11.615 -0.070 24.330 572 1HB ARG 83 1HB ARG 83 -9.194 -0.198 24.805 573 2HB ARG 83 2HB ARG 83 -9.232 1.410 25.533 574 1HG ARG 83 1HG ARG 83 -11.144 -0.770 26.457 575 2HG ARG 83 2HG ARG 83 -9.471 -0.776 27.005 576 1HD ARG 83 1HD ARG 83 -9.649 1.261 28.150 577 2HD ARG 83 2HD ARG 83 -11.150 1.733 27.384 578 HE ARG 83 HE ARG 83 -10.814 -0.016 29.656 579 1HH1 ARG 83 1HH1 ARG 83 -13.055 0.800 26.963 580 2HH1 ARG 83 2HH1 ARG 83 -14.438 0.217 27.826 581 1HH2 ARG 83 1HH2 ARG 83 -12.663 -0.752 30.722 582 2HH2 ARG 83 2HH2 ARG 83 -14.231 -0.669 29.967 583 H ASN 84 H ASN 84 -10.547 3.357 24.707 584 HA ASN 84 HA ASN 84 -13.147 4.342 25.055 585 1HB ASN 84 1HB ASN 84 -13.208 3.173 27.227 586 2HB ASN 84 2HB ASN 84 -11.762 4.053 27.735 587 1HD2 ASN 84 2HD2 ASN 84 -15.126 4.636 26.428 588 2HD2 ASN 84 1HD2 ASN 84 -15.347 6.075 27.413 589 HA PRO 85 HA PRO 85 -10.100 7.814 26.360 590 1HB PRO 85 1HB PRO 85 -7.511 6.739 25.255 591 2HB PRO 85 2HB PRO 85 -7.768 7.775 26.690 592 1HG PRO 85 1HG PRO 85 -7.266 5.137 27.023 593 2HG PRO 85 2HG PRO 85 -8.602 5.885 27.958 594 1HD PRO 85 1HD PRO 85 -8.777 4.441 25.301 595 2HD PRO 85 2HD PRO 85 -9.676 4.056 26.810 Start of MODEL 4 1 1H LYS 1 1H LYS 1 5.389 1.529 -9.284 2 2H LYS 1 2H LYS 1 5.320 0.593 -7.918 3 3H LYS 1 3H LYS 1 3.946 0.941 -8.771 4 HA LYS 1 HA LYS 1 3.956 2.262 -6.861 5 1HB LYS 1 1HB LYS 1 5.748 3.827 -6.373 6 2HB LYS 1 2HB LYS 1 6.343 2.157 -6.443 7 1HG LYS 1 1HG LYS 1 7.184 2.607 -8.787 8 2HG LYS 1 2HG LYS 1 6.696 4.300 -8.583 9 1HD LYS 1 1HD LYS 1 8.177 4.402 -6.532 10 2HD LYS 1 2HD LYS 1 8.729 2.762 -6.899 11 1HE LYS 1 1HE LYS 1 9.585 3.548 -9.099 12 2HE LYS 1 2HE LYS 1 9.014 5.189 -8.736 13 1HZ LYS 1 1HZ LYS 1 10.484 5.221 -6.858 14 2HZ LYS 1 2HZ LYS 1 11.021 3.702 -7.196 15 3HZ LYS 1 3HZ LYS 1 11.323 4.936 -8.247 16 H ALA 2 H ALA 2 2.988 4.401 -6.930 17 HA ALA 2 HA ALA 2 2.228 5.115 -9.708 18 1HB ALA 2 1HB ALA 2 0.447 4.677 -8.085 19 2HB ALA 2 2HB ALA 2 1.063 5.972 -7.036 20 3HB ALA 2 3HB ALA 2 0.451 6.355 -8.661 21 H THR 3 H THR 3 3.616 6.541 -10.625 22 HA THR 3 HA THR 3 5.052 8.597 -9.116 23 HB THR 3 HB THR 3 5.554 9.229 -11.663 24 HG1 THR 3 HG1 THR 3 3.798 7.542 -12.238 25 1HG2 THR 3 1HG2 THR 3 6.491 6.624 -10.394 26 2HG2 THR 3 2HG2 THR 3 7.297 7.499 -11.710 27 3HG2 THR 3 3HG2 THR 3 7.190 8.235 -10.100 28 H MET 4 H MET 4 4.784 10.866 -10.647 29 HA MET 4 HA MET 4 2.333 11.935 -9.635 30 1HB MET 4 1HB MET 4 4.536 13.096 -9.753 31 2HB MET 4 2HB MET 4 4.394 13.169 -11.511 32 1HG MET 4 1HG MET 4 2.514 14.666 -11.374 33 2HG MET 4 2HG MET 4 2.264 14.315 -9.663 34 1HE MET 4 1HE MET 4 4.614 16.060 -12.276 35 2HE MET 4 2HE MET 4 5.786 16.870 -11.209 36 3HE MET 4 3HE MET 4 5.786 15.098 -11.337 37 H GLN 5 H GLN 5 1.065 10.271 -10.834 38 HA GLN 5 HA GLN 5 0.088 11.299 -13.481 39 1HB GLN 5 1HB GLN 5 -0.233 9.014 -14.167 40 2HB GLN 5 2HB GLN 5 1.427 9.221 -13.597 41 1HG GLN 5 1HG GLN 5 0.423 8.334 -11.281 42 2HG GLN 5 2HG GLN 5 -0.863 7.709 -12.307 43 1HE2 GLN 5 2HE2 GLN 5 -0.171 6.192 -14.094 44 2HE2 GLN 5 1HE2 GLN 5 1.294 5.259 -13.848 45 H CYS 6 H CYS 6 -0.748 10.411 -10.229 46 HA CYS 6 HA CYS 6 -3.448 9.560 -10.722 47 1HB CYS 6 1HB CYS 6 -2.081 10.469 -8.180 48 2HB CYS 6 2HB CYS 6 -3.603 9.572 -8.273 49 H GLY 7 H GLY 7 -3.800 11.600 -12.103 50 1HA GLY 7 1HA GLY 7 -4.399 14.122 -10.813 51 2HA GLY 7 2HA GLY 7 -4.818 13.632 -12.462 52 H GLU 8 H GLU 8 -5.646 12.464 -9.205 53 HA GLU 8 HA GLU 8 -8.548 12.968 -9.625 54 1HB GLU 8 1HB GLU 8 -8.956 10.935 -8.233 55 2HB GLU 8 2HB GLU 8 -8.201 10.572 -9.782 56 1HG GLU 8 1HG GLU 8 -6.060 10.156 -8.824 57 2HG GLU 8 2HG GLU 8 -6.519 10.861 -7.272 58 H ASN 9 H ASN 9 -8.721 12.132 -6.639 59 HA ASN 9 HA ASN 9 -7.829 14.706 -5.539 60 1HB ASN 9 1HB ASN 9 -9.996 13.604 -4.935 61 2HB ASN 9 2HB ASN 9 -9.060 12.380 -4.056 62 1HD2 ASN 9 2HD2 ASN 9 -10.592 13.455 -2.290 63 2HD2 ASN 9 1HD2 ASN 9 -9.864 14.820 -1.457 64 H GLU 10 H GLU 10 -5.542 13.508 -6.547 65 HA GLU 10 HA GLU 10 -4.115 12.780 -4.071 66 1HB GLU 10 1HB GLU 10 -4.044 11.223 -6.683 67 2HB GLU 10 2HB GLU 10 -2.830 11.063 -5.410 68 1HG GLU 10 1HG GLU 10 -4.715 10.489 -3.801 69 2HG GLU 10 2HG GLU 10 -5.791 10.370 -5.185 70 H LYS 11 H LYS 11 -1.789 12.922 -4.340 71 HA LYS 11 HA LYS 11 -0.774 14.782 -6.373 72 1HB LYS 11 1HB LYS 11 -1.676 16.115 -4.443 73 2HB LYS 11 2HB LYS 11 -0.577 15.249 -3.354 74 1HG LYS 11 1HG LYS 11 1.366 16.149 -4.660 75 2HG LYS 11 2HG LYS 11 0.242 17.031 -5.702 76 1HD LYS 11 1HD LYS 11 0.722 17.398 -2.707 77 2HD LYS 11 2HD LYS 11 1.214 18.493 -3.995 78 1HE LYS 11 1HE LYS 11 -1.640 17.928 -3.067 79 2HE LYS 11 2HE LYS 11 -0.722 19.421 -2.882 80 1HZ LYS 11 1HZ LYS 11 -0.708 19.642 -5.266 81 2HZ LYS 11 2HZ LYS 11 -1.590 18.258 -5.433 82 3HZ LYS 11 3HZ LYS 11 -2.249 19.568 -4.685 83 H TYR 12 H TYR 12 1.554 14.566 -6.489 84 HA TYR 12 HA TYR 12 2.630 11.975 -5.736 85 1HB TYR 12 1HB TYR 12 3.237 13.084 -7.791 86 2HB TYR 12 2HB TYR 12 3.886 14.464 -6.910 87 HD1 TYR 12 HD1 TYR 12 4.305 10.737 -7.319 88 HD2 TYR 12 HD2 TYR 12 6.173 14.488 -6.288 89 HE1 TYR 12 HE1 TYR 12 6.535 9.671 -7.462 90 HE2 TYR 12 HE2 TYR 12 8.400 13.415 -6.441 91 HH TYR 12 HH TYR 12 8.843 10.031 -7.481 92 H ASP 13 H ASP 13 3.589 11.478 -3.796 93 HA ASP 13 HA ASP 13 4.665 13.703 -2.120 94 1HB ASP 13 1HB ASP 13 2.744 12.740 -1.023 95 2HB ASP 13 2HB ASP 13 3.358 11.087 -1.290 96 H SER 14 H SER 14 6.552 13.244 -1.018 97 HA SER 14 HA SER 14 8.470 11.400 -2.240 98 1HB SER 14 1HB SER 14 10.011 12.576 -0.631 99 2HB SER 14 2HB SER 14 9.216 13.645 -1.802 100 HG SER 14 HG SER 14 9.010 14.556 0.252 101 H CYS 15 H CYS 15 8.369 12.141 1.149 102 HA CYS 15 HA CYS 15 8.911 9.430 1.902 103 1HB CYS 15 1HB CYS 15 9.644 11.466 3.145 104 2HB CYS 15 2HB CYS 15 7.963 11.750 3.622 105 H GLY 16 H GLY 16 6.788 8.520 0.670 106 1HA GLY 16 1HA GLY 16 5.295 7.355 2.726 107 2HA GLY 16 2HA GLY 16 4.385 8.801 2.272 108 H SER 17 H SER 17 5.189 5.538 1.445 109 HA SER 17 HA SER 17 3.379 5.581 -0.928 110 1HB SER 17 1HB SER 17 4.675 3.325 0.606 111 2HB SER 17 2HB SER 17 3.716 3.147 -0.872 112 HG SER 17 HG SER 17 5.787 5.038 -0.914 113 H LYS 18 H LYS 18 1.932 6.824 0.539 114 HA LYS 18 HA LYS 18 0.127 7.115 1.873 115 1HB LYS 18 1HB LYS 18 -0.369 4.116 1.588 116 2HB LYS 18 2HB LYS 18 -1.408 5.282 2.386 117 1HG LYS 18 1HG LYS 18 -2.387 5.034 0.307 118 2HG LYS 18 2HG LYS 18 -1.586 6.599 0.264 119 1HD LYS 18 1HD LYS 18 -1.342 5.459 -1.856 120 2HD LYS 18 2HD LYS 18 0.250 5.589 -1.127 121 1HE LYS 18 1HE LYS 18 0.188 3.240 -0.429 122 2HE LYS 18 2HE LYS 18 -1.503 3.093 -0.946 123 1HZ LYS 18 1HZ LYS 18 0.745 3.720 -2.724 124 2HZ LYS 18 2HZ LYS 18 0.069 2.222 -2.541 125 3HZ LYS 18 3HZ LYS 18 -0.817 3.462 -3.172 126 H GLU 19 H GLU 19 2.183 7.535 3.125 127 HA GLU 19 HA GLU 19 2.803 5.845 5.391 128 1HB GLU 19 1HB GLU 19 3.662 8.476 4.307 129 2HB GLU 19 2HB GLU 19 3.659 8.467 6.034 130 1HG GLU 19 1HG GLU 19 5.015 6.219 4.523 131 2HG GLU 19 2HG GLU 19 5.822 7.763 4.909 132 H CYS 20 H CYS 20 2.770 6.983 7.595 133 HA CYS 20 HA CYS 20 0.101 7.325 8.578 134 1HB CYS 20 1HB CYS 20 1.731 6.508 10.023 135 2HB CYS 20 2HB CYS 20 2.865 7.825 9.677 136 H ASP 21 H ASP 21 2.257 9.472 6.989 137 HA ASP 21 HA ASP 21 1.667 12.045 7.721 138 1HB ASP 21 1HB ASP 21 2.999 11.027 5.680 139 2HB ASP 21 2HB ASP 21 1.475 11.112 4.820 140 H LYS 22 H LYS 22 -0.255 12.971 8.201 141 HA LYS 22 HA LYS 22 -2.487 13.273 8.430 142 1HB LYS 22 1HB LYS 22 -2.206 13.285 5.413 143 2HB LYS 22 2HB LYS 22 -3.520 14.033 6.322 144 1HG LYS 22 1HG LYS 22 -1.913 15.559 7.452 145 2HG LYS 22 2HG LYS 22 -0.574 14.751 6.635 146 1HD LYS 22 1HD LYS 22 -0.751 16.521 5.290 147 2HD LYS 22 2HD LYS 22 -1.780 15.395 4.415 148 1HE LYS 22 1HE LYS 22 -2.721 17.596 6.348 149 2HE LYS 22 2HE LYS 22 -2.730 17.703 4.584 150 1HZ LYS 22 1HZ LYS 22 -4.245 15.806 4.578 151 2HZ LYS 22 2HZ LYS 22 -4.307 15.857 6.222 152 3HZ LYS 22 3HZ LYS 22 -4.869 17.127 5.339 153 H LYS 23 H LYS 23 -2.021 10.434 8.651 154 HA LYS 23 HA LYS 23 -3.836 8.967 7.040 155 1HB LYS 23 1HB LYS 23 -3.422 7.097 8.468 156 2HB LYS 23 2HB LYS 23 -1.982 7.955 7.978 157 1HG LYS 23 1HG LYS 23 -1.613 7.337 10.232 158 2HG LYS 23 2HG LYS 23 -1.906 9.066 10.250 159 1HD LYS 23 1HD LYS 23 -2.983 8.080 12.120 160 2HD LYS 23 2HD LYS 23 -4.170 8.749 11.014 161 1HE LYS 23 1HE LYS 23 -4.907 6.592 11.957 162 2HE LYS 23 2HE LYS 23 -4.746 6.474 10.205 163 1HZ LYS 23 1HZ LYS 23 -2.749 5.570 12.162 164 2HZ LYS 23 2HZ LYS 23 -3.792 4.603 11.327 165 3HZ LYS 23 3HZ LYS 23 -2.623 5.437 10.522 166 H CYS 24 H CYS 24 -5.019 11.246 9.056 167 HA CYS 24 HA CYS 24 -7.685 10.360 9.020 168 1HB CYS 24 1HB CYS 24 -7.404 8.565 10.525 169 2HB CYS 24 2HB CYS 24 -6.156 9.417 11.431 170 H LYS 25 H LYS 25 -5.798 11.605 11.733 171 HA LYS 25 HA LYS 25 -5.980 13.271 13.110 172 1HB LYS 25 1HB LYS 25 -4.982 14.546 11.327 173 2HB LYS 25 2HB LYS 25 -6.585 14.932 10.655 174 1HG LYS 25 1HG LYS 25 -5.502 16.770 11.954 175 2HG LYS 25 2HG LYS 25 -7.134 16.351 12.485 176 1HD LYS 25 1HD LYS 25 -6.312 15.121 14.390 177 2HD LYS 25 2HD LYS 25 -4.628 15.254 13.855 178 1HE LYS 25 1HE LYS 25 -6.440 17.591 14.654 179 2HE LYS 25 2HE LYS 25 -5.272 16.808 15.726 180 1HZ LYS 25 1HZ LYS 25 -4.597 18.191 13.226 181 2HZ LYS 25 2HZ LYS 25 -4.383 18.776 14.748 182 3HZ LYS 25 3HZ LYS 25 -3.521 17.467 14.247 183 H TYR 26 H TYR 26 -7.652 12.685 14.438 184 HA TYR 26 HA TYR 26 -10.426 13.045 13.745 185 1HB TYR 26 1HB TYR 26 -9.138 12.790 16.501 186 2HB TYR 26 2HB TYR 26 -10.846 12.729 16.132 187 HD1 TYR 26 HD1 TYR 26 -7.579 11.004 15.712 188 HD2 TYR 26 HD2 TYR 26 -11.858 10.654 15.383 189 HE1 TYR 26 HE1 TYR 26 -7.363 8.568 15.407 190 HE2 TYR 26 HE2 TYR 26 -11.659 8.196 15.201 191 HH TYR 26 HH TYR 26 -10.045 6.430 15.754 192 H ASP 27 H ASP 27 -8.511 14.741 16.247 193 HA ASP 27 HA ASP 27 -8.936 17.405 15.648 194 1HB ASP 27 1HB ASP 27 -11.316 17.270 15.682 195 2HB ASP 27 2HB ASP 27 -11.335 16.173 17.065 196 H GLY 28 H GLY 28 -10.015 15.904 18.659 197 1HA GLY 28 1HA GLY 28 -7.552 16.845 20.079 198 2HA GLY 28 2HA GLY 28 -9.164 16.634 20.775 199 H VAL 29 H VAL 29 -9.979 14.145 20.020 200 HA VAL 29 HA VAL 29 -8.302 12.466 21.692 201 HB VAL 29 HB VAL 29 -10.875 11.901 20.188 202 1HG1 VAL 29 1HG1 VAL 29 -9.470 10.373 22.432 203 2HG1 VAL 29 2HG1 VAL 29 -11.117 10.054 21.851 204 3HG1 VAL 29 3HG1 VAL 29 -9.744 9.768 20.785 205 1HG2 VAL 29 1HG2 VAL 29 -11.101 13.698 21.922 206 2HG2 VAL 29 2HG2 VAL 29 -11.952 12.221 22.384 207 3HG2 VAL 29 3HG2 VAL 29 -10.383 12.606 23.117 208 H GLU 30 H GLU 30 -6.455 12.839 20.191 209 HA GLU 30 HA GLU 30 -6.357 11.305 17.722 210 1HB GLU 30 1HB GLU 30 -4.091 12.390 19.451 211 2HB GLU 30 2HB GLU 30 -3.948 11.752 17.808 212 1HG GLU 30 1HG GLU 30 -5.463 14.262 18.664 213 2HG GLU 30 2HG GLU 30 -3.982 14.179 17.710 214 H GLU 31 H GLU 31 -7.242 9.334 18.400 215 HA GLU 31 HA GLU 31 -6.279 7.495 20.234 216 1HB GLU 31 1HB GLU 31 -7.043 6.847 17.345 217 2HB GLU 31 2HB GLU 31 -6.996 5.739 18.724 218 1HG GLU 31 1HG GLU 31 -8.682 7.371 19.855 219 2HG GLU 31 2HG GLU 31 -8.919 8.055 18.247 220 H GLU 32 H GLU 32 -4.799 8.444 17.158 221 HA GLU 32 HA GLU 32 -2.448 6.707 17.560 222 1HB GLU 32 1HB GLU 32 -1.450 7.917 15.703 223 2HB GLU 32 2HB GLU 32 -2.952 7.100 15.285 224 1HG GLU 32 1HG GLU 32 -2.717 10.119 15.727 225 2HG GLU 32 2HG GLU 32 -2.598 9.304 14.183 226 H ASP 33 H ASP 33 -2.024 7.268 19.706 227 HA ASP 33 HA ASP 33 -1.700 9.912 20.665 228 1HB ASP 33 1HB ASP 33 -0.851 8.896 22.675 229 2HB ASP 33 2HB ASP 33 -2.279 8.039 22.071 230 H ASP 34 H ASP 34 -0.505 10.707 18.950 231 HA ASP 34 HA ASP 34 2.274 11.306 19.247 232 1HB ASP 34 1HB ASP 34 2.654 8.974 18.521 233 2HB ASP 34 2HB ASP 34 1.558 9.204 17.147 234 H GLU 35 H GLU 35 -0.619 10.987 17.278 235 HA GLU 35 HA GLU 35 -1.729 12.313 15.954 236 1HB GLU 35 1HB GLU 35 -0.631 14.334 17.127 237 2HB GLU 35 2HB GLU 35 0.465 14.398 15.753 238 1HG GLU 35 1HG GLU 35 -2.215 14.115 14.684 239 2HG GLU 35 2HG GLU 35 -2.336 15.253 16.022 240 H GLU 36 H GLU 36 -0.055 13.760 13.696 241 HA GLU 36 HA GLU 36 0.707 11.231 12.277 242 1HB GLU 36 1HB GLU 36 -1.216 13.388 11.322 243 2HB GLU 36 2HB GLU 36 -0.712 11.939 10.426 244 1HG GLU 36 1HG GLU 36 -1.642 10.491 12.227 245 2HG GLU 36 2HG GLU 36 -2.184 11.921 13.121 246 HA PRO 37 HA PRO 37 3.642 14.817 11.468 247 1HB PRO 37 1HB PRO 37 5.832 14.108 12.894 248 2HB PRO 37 2HB PRO 37 4.419 14.854 13.691 249 1HG PRO 37 1HG PRO 37 4.964 11.869 13.415 250 2HG PRO 37 2HG PRO 37 4.710 12.777 14.942 251 1HD PRO 37 1HD PRO 37 2.663 11.522 13.719 252 2HD PRO 37 2HD PRO 37 2.455 13.165 14.405 253 H ASN 38 H ASN 38 3.426 11.481 10.856 254 HA ASN 38 HA ASN 38 4.223 10.149 9.246 255 1HB ASN 38 1HB ASN 38 3.998 12.116 7.784 256 2HB ASN 38 2HB ASN 38 5.660 12.596 8.110 257 1HD2 ASN 38 2HD2 ASN 38 5.095 12.323 5.545 258 2HD2 ASN 38 1HD2 ASN 38 5.808 10.843 4.908 259 H VAL 39 H VAL 39 7.010 12.313 9.840 260 HA VAL 39 HA VAL 39 8.946 10.432 9.295 261 HB VAL 39 HB VAL 39 9.135 12.910 11.030 262 1HG1 VAL 39 1HG1 VAL 39 11.362 11.165 9.879 263 2HG1 VAL 39 2HG1 VAL 39 11.583 12.781 10.579 264 3HG1 VAL 39 3HG1 VAL 39 11.047 11.448 11.605 265 1HG2 VAL 39 1HG2 VAL 39 9.858 12.334 8.131 266 2HG2 VAL 39 2HG2 VAL 39 8.478 13.302 8.690 267 3HG2 VAL 39 3HG2 VAL 39 10.125 13.861 8.992 268 HA PRO 40 HA PRO 40 9.641 8.871 13.675 269 1HB PRO 40 1HB PRO 40 8.171 9.617 15.835 270 2HB PRO 40 2HB PRO 40 9.541 10.591 15.227 271 1HG PRO 40 1HG PRO 40 6.602 10.965 14.635 272 2HG PRO 40 2HG PRO 40 7.755 12.207 15.197 273 1HD PRO 40 1HD PRO 40 7.201 11.975 12.543 274 2HD PRO 40 2HD PRO 40 8.866 12.275 13.118 275 H CYS 41 H CYS 41 6.252 9.484 12.799 276 HA CYS 41 HA CYS 41 5.032 7.292 14.116 277 1HB CYS 41 1HB CYS 41 3.879 9.279 13.047 278 2HB CYS 41 2HB CYS 41 4.212 8.539 11.478 279 H LEU 42 H LEU 42 6.478 7.630 10.917 280 HA LEU 42 HA LEU 42 7.162 6.236 9.334 281 1HB LEU 42 1HB LEU 42 8.892 6.391 11.057 282 2HB LEU 42 2HB LEU 42 8.302 4.911 11.805 283 HG LEU 42 HG LEU 42 8.974 3.615 9.797 284 1HD1 LEU 42 1HD1 LEU 42 9.886 6.315 8.709 285 2HD1 LEU 42 2HD1 LEU 42 10.364 4.742 8.038 286 3HD1 LEU 42 3HD1 LEU 42 8.672 5.230 7.992 287 1HD2 LEU 42 1HD2 LEU 42 10.580 3.993 11.628 288 2HD2 LEU 42 2HD2 LEU 42 11.390 3.861 10.058 289 3HD2 LEU 42 3HD2 LEU 42 11.170 5.456 10.812 290 H VAL 43 H VAL 43 5.282 5.301 8.483 291 HA VAL 43 HA VAL 43 4.577 2.511 9.146 292 HB VAL 43 HB VAL 43 3.743 4.293 6.804 293 1HG1 VAL 43 1HG1 VAL 43 2.658 1.617 7.781 294 2HG1 VAL 43 2HG1 VAL 43 1.692 2.753 6.821 295 3HG1 VAL 43 3HG1 VAL 43 3.133 2.060 6.122 296 1HG2 VAL 43 1HG2 VAL 43 3.090 5.186 9.036 297 2HG2 VAL 43 2HG2 VAL 43 1.673 4.630 8.136 298 3HG2 VAL 43 3HG2 VAL 43 2.342 3.635 9.444 299 H ARG 44 H ARG 44 7.338 2.836 8.716 300 HA ARG 44 HA ARG 44 9.148 2.167 7.612 301 1HB ARG 44 1HB ARG 44 7.187 0.167 6.417 302 2HB ARG 44 2HB ARG 44 8.913 0.179 6.092 303 1HG ARG 44 1HG ARG 44 8.555 -1.420 7.740 304 2HG ARG 44 2HG ARG 44 9.414 -0.087 8.506 305 1HD ARG 44 1HD ARG 44 6.378 -0.307 8.671 306 2HD ARG 44 2HD ARG 44 7.377 -1.317 9.704 307 HE ARG 44 HE ARG 44 6.836 1.493 10.050 308 1HH1 ARG 44 1HH1 ARG 44 9.305 -0.962 10.666 309 2HH1 ARG 44 2HH1 ARG 44 9.949 -0.134 12.060 310 1HH2 ARG 44 1HH2 ARG 44 7.655 2.571 11.726 311 2HH2 ARG 44 2HH2 ARG 44 8.971 1.953 12.712 312 H VAL 45 H VAL 45 6.675 2.081 5.015 313 HA VAL 45 HA VAL 45 8.656 2.704 3.024 314 HB VAL 45 HB VAL 45 6.763 2.584 1.425 315 1HG1 VAL 45 1HG1 VAL 45 8.151 0.647 1.993 316 2HG1 VAL 45 2HG1 VAL 45 7.084 0.249 3.357 317 3HG1 VAL 45 3HG1 VAL 45 6.473 0.167 1.692 318 1HG2 VAL 45 1HG2 VAL 45 4.885 3.250 3.042 319 2HG2 VAL 45 2HG2 VAL 45 4.592 1.723 2.187 320 3HG2 VAL 45 3HG2 VAL 45 5.109 1.695 3.861 321 H CYS 46 H CYS 46 9.271 4.673 4.204 322 HA CYS 46 HA CYS 46 7.996 7.219 3.506 323 1HB CYS 46 1HB CYS 46 9.619 6.866 5.392 324 2HB CYS 46 2HB CYS 46 10.844 6.431 4.181 325 H HIS 47 H HIS 47 7.652 6.018 1.283 326 HA HIS 47 HA HIS 47 9.990 6.365 -0.553 327 1HB HIS 47 1HB HIS 47 9.868 4.067 -0.069 328 2HB HIS 47 2HB HIS 47 8.105 4.069 -0.038 329 HD1 HIS 47 HD1 HIS 47 6.826 3.676 -2.241 330 HD2 HIS 47 HD2 HIS 47 10.991 4.096 -2.623 331 HE1 HIS 47 HE1 HIS 47 7.388 2.976 -4.593 332 H GLN 48 H GLN 48 9.573 7.576 -2.119 333 HA GLN 48 HA GLN 48 7.567 9.127 -2.843 334 1HB GLN 48 1HB GLN 48 8.429 9.426 -4.967 335 2HB GLN 48 2HB GLN 48 9.780 8.986 -3.936 336 1HG GLN 48 1HG GLN 48 10.318 7.647 -5.662 337 2HG GLN 48 2HG GLN 48 9.195 6.505 -4.935 338 1HE2 GLN 48 2HE2 GLN 48 6.998 6.368 -5.982 339 2HE2 GLN 48 1HE2 GLN 48 6.787 6.929 -7.636 340 H ASP 49 H ASP 49 5.483 9.132 -3.573 341 HA ASP 49 HA ASP 49 4.496 7.178 -5.400 342 1HB ASP 49 1HB ASP 49 4.607 5.835 -3.139 343 2HB ASP 49 2HB ASP 49 3.382 6.979 -2.581 344 H CYS 50 H CYS 50 2.270 7.716 -6.024 345 HA CYS 50 HA CYS 50 1.353 10.355 -5.229 346 1HB CYS 50 1HB CYS 50 -0.223 10.228 -6.820 347 2HB CYS 50 2HB CYS 50 0.903 9.037 -7.475 348 H VAL 51 H VAL 51 -0.219 10.916 -3.744 349 HA VAL 51 HA VAL 51 -1.631 8.793 -2.235 350 HB VAL 51 HB VAL 51 -0.968 9.861 -0.100 351 1HG1 VAL 51 1HG1 VAL 51 0.301 7.888 -0.941 352 2HG1 VAL 51 2HG1 VAL 51 1.522 8.989 -1.612 353 3HG1 VAL 51 3HG1 VAL 51 1.226 8.951 0.136 354 1HG2 VAL 51 1HG2 VAL 51 0.998 11.463 -1.790 355 2HG2 VAL 51 2HG2 VAL 51 -0.380 12.123 -0.894 356 3HG2 VAL 51 3HG2 VAL 51 0.973 11.393 -0.014 357 H CYS 52 H CYS 52 -3.272 9.788 -0.859 358 HA CYS 52 HA CYS 52 -5.137 11.560 -1.856 359 1HB CYS 52 1HB CYS 52 -5.525 10.245 0.068 360 2HB CYS 52 2HB CYS 52 -4.160 11.005 0.912 361 H GLU 53 H GLU 53 -5.363 13.631 -2.241 362 HA GLU 53 HA GLU 53 -3.309 15.376 -2.566 363 1HB GLU 53 1HB GLU 53 -5.622 15.672 -3.396 364 2HB GLU 53 2HB GLU 53 -6.149 16.113 -1.762 365 1HG GLU 53 1HG GLU 53 -4.590 18.092 -1.852 366 2HG GLU 53 2HG GLU 53 -4.147 17.623 -3.505 367 H GLU 54 H GLU 54 -1.926 16.412 -1.287 368 HA GLU 54 HA GLU 54 -1.869 16.245 1.527 369 1HB GLU 54 1HB GLU 54 -0.416 18.136 -0.372 370 2HB GLU 54 2HB GLU 54 -0.005 17.894 1.327 371 1HG GLU 54 1HG GLU 54 0.038 15.710 -0.816 372 2HG GLU 54 2HG GLU 54 1.450 16.554 -0.168 373 H GLY 55 H GLY 55 -3.921 16.876 2.120 374 1HA GLY 55 1HA GLY 55 -4.332 19.433 3.282 375 2HA GLY 55 2HA GLY 55 -5.123 19.391 1.686 376 H PHE 56 H PHE 56 -5.828 16.711 1.445 377 HA PHE 56 HA PHE 56 -8.015 16.369 3.404 378 1HB PHE 56 1HB PHE 56 -7.057 15.028 0.880 379 2HB PHE 56 2HB PHE 56 -8.264 14.274 1.929 380 HD1 PHE 56 HD1 PHE 56 -7.608 17.352 -0.150 381 HD2 PHE 56 HD2 PHE 56 -10.524 14.653 1.517 382 HE1 PHE 56 HE1 PHE 56 -9.338 18.275 -1.652 383 HE2 PHE 56 HE2 PHE 56 -12.233 15.546 0.003 384 HZ PHE 56 HZ PHE 56 -11.672 17.422 -1.552 385 H TYR 57 H TYR 57 -8.068 14.408 4.618 386 HA TYR 57 HA TYR 57 -5.433 13.259 5.339 387 1HB TYR 57 1HB TYR 57 -8.137 13.261 6.743 388 2HB TYR 57 2HB TYR 57 -6.735 12.342 7.279 389 HD1 TYR 57 HD1 TYR 57 -7.982 15.814 6.648 390 HD2 TYR 57 HD2 TYR 57 -4.974 13.374 8.546 391 HE1 TYR 57 HE1 TYR 57 -6.934 17.841 7.562 392 HE2 TYR 57 HE2 TYR 57 -3.821 15.434 9.329 393 HH TYR 57 HH TYR 57 -5.139 18.699 8.743 394 H ARG 58 H ARG 58 -5.109 11.086 5.134 395 HA ARG 58 HA ARG 58 -6.946 9.646 3.283 396 1HB ARG 58 1HB ARG 58 -5.059 8.019 3.100 397 2HB ARG 58 2HB ARG 58 -4.832 9.594 2.397 398 1HG ARG 58 1HG ARG 58 -3.735 9.649 5.073 399 2HG ARG 58 2HG ARG 58 -3.177 8.189 4.271 400 1HD ARG 58 1HD ARG 58 -1.615 9.970 3.861 401 2HD ARG 58 2HD ARG 58 -2.439 9.604 2.341 402 HE ARG 58 HE ARG 58 -3.857 11.682 3.728 403 1HH1 ARG 58 1HH1 ARG 58 -0.779 11.187 2.110 404 2HH1 ARG 58 2HH1 ARG 58 -0.758 12.752 1.334 405 1HH2 ARG 58 1HH2 ARG 58 -3.853 13.803 2.728 406 2HH2 ARG 58 2HH2 ARG 58 -2.711 14.033 1.428 407 H ASN 59 H ASN 59 -8.557 9.414 4.901 408 HA ASN 59 HA ASN 59 -7.971 8.248 7.469 409 1HB ASN 59 1HB ASN 59 -9.929 9.691 6.982 410 2HB ASN 59 2HB ASN 59 -10.624 8.369 6.005 411 1HD2 ASN 59 2HD2 ASN 59 -12.437 8.938 7.745 412 2HD2 ASN 59 1HD2 ASN 59 -12.322 7.966 9.195 413 H LYS 60 H LYS 60 -8.060 6.160 8.131 414 HA LYS 60 HA LYS 60 -7.542 3.945 7.869 415 1HB LYS 60 1HB LYS 60 -9.677 2.659 7.442 416 2HB LYS 60 2HB LYS 60 -9.647 3.853 8.727 417 1HG LYS 60 1HG LYS 60 -10.886 5.480 7.269 418 2HG LYS 60 2HG LYS 60 -11.003 4.275 6.016 419 1HD LYS 60 1HD LYS 60 -12.959 3.750 6.999 420 2HD LYS 60 2HD LYS 60 -11.977 2.838 8.146 421 1HE LYS 60 1HE LYS 60 -13.079 5.677 8.444 422 2HE LYS 60 2HE LYS 60 -13.551 4.238 9.357 423 1HZ LYS 60 1HZ LYS 60 -11.294 4.200 10.248 424 2HZ LYS 60 2HZ LYS 60 -10.972 5.638 9.497 425 3HZ LYS 60 3HZ LYS 60 -12.149 5.549 10.653 426 H ASP 61 H ASP 61 -9.672 3.266 5.249 427 HA ASP 61 HA ASP 61 -7.458 2.021 3.809 428 1HB ASP 61 1HB ASP 61 -9.602 0.859 4.105 429 2HB ASP 61 2HB ASP 61 -10.446 2.151 3.234 430 H ASP 62 H ASP 62 -6.597 4.341 3.681 431 HA ASP 62 HA ASP 62 -6.163 6.271 2.619 432 1HB ASP 62 1HB ASP 62 -5.450 6.045 0.304 433 2HB ASP 62 2HB ASP 62 -4.929 4.674 1.284 434 H LYS 63 H LYS 63 -8.850 6.280 3.294 435 HA LYS 63 HA LYS 63 -10.376 7.285 1.003 436 1HB LYS 63 1HB LYS 63 -10.954 7.295 3.988 437 2HB LYS 63 2HB LYS 63 -12.099 7.760 2.732 438 1HG LYS 63 1HG LYS 63 -10.815 5.000 2.842 439 2HG LYS 63 2HG LYS 63 -12.300 5.398 3.702 440 1HD LYS 63 1HD LYS 63 -13.497 5.894 1.712 441 2HD LYS 63 2HD LYS 63 -12.045 5.857 0.700 442 1HE LYS 63 1HE LYS 63 -12.980 3.404 2.236 443 2HE LYS 63 2HE LYS 63 -13.559 3.786 0.606 444 1HZ LYS 63 1HZ LYS 63 -10.713 3.499 1.276 445 2HZ LYS 63 2HZ LYS 63 -11.642 2.305 0.632 446 3HZ LYS 63 3HZ LYS 63 -11.373 3.694 -0.213 447 H CYS 64 H CYS 64 -9.395 9.075 0.175 448 HA CYS 64 HA CYS 64 -8.414 11.263 1.663 449 1HB CYS 64 1HB CYS 64 -8.302 10.660 -0.948 450 2HB CYS 64 2HB CYS 64 -9.617 11.795 -1.043 451 H VAL 65 H VAL 65 -9.658 11.945 3.312 452 HA VAL 65 HA VAL 65 -12.256 13.291 2.658 453 HB VAL 65 HB VAL 65 -13.142 12.493 4.786 454 1HG1 VAL 65 1HG1 VAL 65 -13.584 11.184 2.745 455 2HG1 VAL 65 2HG1 VAL 65 -12.184 10.154 3.105 456 3HG1 VAL 65 3HG1 VAL 65 -13.568 10.183 4.208 457 1HG2 VAL 65 1HG2 VAL 65 -10.549 10.897 5.022 458 2HG2 VAL 65 2HG2 VAL 65 -11.076 12.194 6.094 459 3HG2 VAL 65 3HG2 VAL 65 -11.971 10.671 6.036 460 H SER 66 H SER 66 -12.814 14.605 4.855 461 HA SER 66 HA SER 66 -10.466 16.351 5.402 462 1HB SER 66 1HB SER 66 -12.648 17.423 4.927 463 2HB SER 66 2HB SER 66 -13.395 16.485 6.246 464 HG SER 66 HG SER 66 -12.787 18.634 6.863 465 H ALA 67 H ALA 67 -9.911 16.751 7.638 466 HA ALA 67 HA ALA 67 -9.572 14.647 9.471 467 1HB ALA 67 1HB ALA 67 -9.912 17.658 9.877 468 2HB ALA 67 2HB ALA 67 -9.413 16.549 11.161 469 3HB ALA 67 3HB ALA 67 -8.388 16.755 9.732 470 H GLU 68 H GLU 68 -12.204 16.934 9.037 471 HA GLU 68 HA GLU 68 -13.849 16.498 11.233 472 1HB GLU 68 1HB GLU 68 -14.649 16.943 8.328 473 2HB GLU 68 2HB GLU 68 -15.672 17.249 9.736 474 1HG GLU 68 1HG GLU 68 -14.225 19.032 10.511 475 2HG GLU 68 2HG GLU 68 -12.987 18.680 9.304 476 H ASP 69 H ASP 69 -13.639 14.528 8.225 477 HA ASP 69 HA ASP 69 -15.910 12.828 8.814 478 1HB ASP 69 1HB ASP 69 -15.021 12.920 6.544 479 2HB ASP 69 2HB ASP 69 -13.423 12.406 7.117 480 H CYS 70 H CYS 70 -12.378 12.703 9.461 481 HA CYS 70 HA CYS 70 -12.571 10.076 10.618 482 1HB CYS 70 1HB CYS 70 -10.417 11.138 9.676 483 2HB CYS 70 2HB CYS 70 -10.326 11.974 11.243 484 H GLU 71 H GLU 71 -12.748 13.404 11.911 485 HA GLU 71 HA GLU 71 -12.787 12.783 14.658 486 1HB GLU 71 1HB GLU 71 -12.945 15.124 13.565 487 2HB GLU 71 2HB GLU 71 -14.670 14.817 13.401 488 1HG GLU 71 1HG GLU 71 -14.809 14.375 15.874 489 2HG GLU 71 2HG GLU 71 -13.087 14.758 16.005 490 H LEU 72 H LEU 72 -15.533 13.014 12.370 491 HA LEU 72 HA LEU 72 -17.576 12.076 14.061 492 1HB LEU 72 1HB LEU 72 -17.185 12.190 11.090 493 2HB LEU 72 2HB LEU 72 -18.434 11.109 11.711 494 HG LEU 72 HG LEU 72 -19.490 12.930 12.959 495 1HD1 LEU 72 1HD1 LEU 72 -17.518 14.423 13.327 496 2HD1 LEU 72 2HD1 LEU 72 -17.497 14.785 11.586 497 3HD1 LEU 72 3HD1 LEU 72 -18.876 15.272 12.583 498 1HD2 LEU 72 1HD2 LEU 72 -20.219 12.391 10.668 499 2HD2 LEU 72 2HD2 LEU 72 -20.398 14.123 11.001 500 3HD2 LEU 72 3HD2 LEU 72 -19.041 13.546 10.009 501 H ASP 73 H ASP 73 -15.562 10.170 11.847 502 HA ASP 73 HA ASP 73 -15.836 7.858 11.458 503 1HB ASP 73 1HB ASP 73 -13.583 8.458 11.966 504 2HB ASP 73 2HB ASP 73 -13.879 8.381 13.716 505 H ASN 74 H ASN 74 -15.466 7.819 15.050 506 HA ASN 74 HA ASN 74 -17.108 5.388 14.982 507 1HB ASN 74 1HB ASN 74 -16.230 4.778 17.034 508 2HB ASN 74 2HB ASN 74 -14.894 5.345 16.013 509 1HD2 ASN 74 2HD2 ASN 74 -15.406 5.209 19.089 510 2HD2 ASN 74 1HD2 ASN 74 -15.000 6.803 19.666 511 H MET 75 H MET 75 -16.948 8.432 16.905 512 HA MET 75 HA MET 75 -19.910 8.425 17.232 513 1HB MET 75 1HB MET 75 -17.928 8.393 19.551 514 2HB MET 75 2HB MET 75 -19.680 8.590 19.690 515 1HG MET 75 1HG MET 75 -19.964 6.317 18.664 516 2HG MET 75 2HG MET 75 -18.216 6.083 18.833 517 1HE MET 75 1HE MET 75 -16.955 6.031 21.184 518 2HE MET 75 2HE MET 75 -17.693 7.569 21.703 519 3HE MET 75 3HE MET 75 -17.794 6.137 22.746 520 H ASP 76 H ASP 76 -17.517 10.262 16.156 521 HA ASP 76 HA ASP 76 -16.875 12.433 16.184 522 1HB ASP 76 1HB ASP 76 -19.162 13.059 15.766 523 2HB ASP 76 2HB ASP 76 -19.555 13.016 17.489 524 H PHE 77 H PHE 77 -18.501 12.118 19.327 525 HA PHE 77 HA PHE 77 -16.223 13.188 20.848 526 1HB PHE 77 1HB PHE 77 -18.703 11.704 21.819 527 2HB PHE 77 2HB PHE 77 -17.612 12.696 22.772 528 HD1 PHE 77 HD1 PHE 77 -20.383 12.656 20.315 529 HD2 PHE 77 HD2 PHE 77 -17.803 15.179 22.693 530 HE1 PHE 77 HE1 PHE 77 -21.876 14.582 19.897 531 HE2 PHE 77 HE2 PHE 77 -19.406 17.054 22.399 532 HZ PHE 77 HZ PHE 77 -21.397 16.783 20.951 533 H ILE 78 H ILE 78 -14.905 11.532 19.549 534 HA ILE 78 HA ILE 78 -15.183 8.912 19.415 535 HB ILE 78 HB ILE 78 -12.594 10.379 19.983 536 1HG1 ILE 78 1HG1 ILE 78 -12.925 9.637 17.214 537 2HG1 ILE 78 2HG1 ILE 78 -14.419 10.396 17.724 538 1HG2 ILE 78 1HG2 ILE 78 -12.135 7.992 20.257 539 2HG2 ILE 78 2HG2 ILE 78 -12.867 7.648 18.678 540 3HG2 ILE 78 3HG2 ILE 78 -11.391 8.621 18.786 541 1HD1 ILE 78 1HD1 ILE 78 -13.059 12.294 18.704 542 2HD1 ILE 78 2HD1 ILE 78 -11.625 11.558 17.961 543 3HD1 ILE 78 3HD1 ILE 78 -12.972 12.140 16.943 544 H TYR 79 H TYR 79 -13.807 10.462 22.208 545 HA TYR 79 HA TYR 79 -14.770 8.463 24.032 546 1HB TYR 79 1HB TYR 79 -11.836 9.332 24.083 547 2HB TYR 79 2HB TYR 79 -12.613 8.283 25.258 548 HD1 TYR 79 HD1 TYR 79 -13.982 6.211 23.906 549 HD2 TYR 79 HD2 TYR 79 -10.238 8.087 22.891 550 HE1 TYR 79 HE1 TYR 79 -13.362 4.242 22.533 551 HE2 TYR 79 HE2 TYR 79 -9.593 6.088 21.592 552 HH TYR 79 HH TYR 79 -10.453 4.213 20.484 553 HA PRO 80 HA PRO 80 -15.564 12.284 26.212 554 1HB PRO 80 1HB PRO 80 -13.640 11.489 28.411 555 2HB PRO 80 2HB PRO 80 -15.265 12.224 28.555 556 1HG PRO 80 1HG PRO 80 -14.997 9.555 28.900 557 2HG PRO 80 2HG PRO 80 -16.311 10.158 27.843 558 1HD PRO 80 1HD PRO 80 -13.589 9.124 27.035 559 2HD PRO 80 2HD PRO 80 -15.186 8.674 26.361 560 H GLY 81 H GLY 81 -14.747 13.977 25.059 561 1HA GLY 81 1HA GLY 81 -12.501 15.501 25.450 562 2HA GLY 81 2HA GLY 81 -11.970 14.182 24.380 563 H THR 82 H THR 82 -11.752 16.019 22.812 564 HA THR 82 HA THR 82 -12.368 17.382 21.160 565 HB THR 82 HB THR 82 -14.028 16.764 19.591 566 HG1 THR 82 HG1 THR 82 -15.160 15.234 21.682 567 1HG2 THR 82 1HG2 THR 82 -12.049 15.214 19.800 568 2HG2 THR 82 2HG2 THR 82 -13.085 14.109 20.742 569 3HG2 THR 82 3HG2 THR 82 -13.505 14.511 19.069 570 H ARG 83 H ARG 83 -15.707 17.423 21.128 571 HA ARG 83 HA ARG 83 -15.781 20.081 22.416 572 1HB ARG 83 1HB ARG 83 -17.988 18.452 21.094 573 2HB ARG 83 2HB ARG 83 -18.046 20.172 21.521 574 1HG ARG 83 1HG ARG 83 -16.188 20.595 19.887 575 2HG ARG 83 2HG ARG 83 -16.193 18.875 19.462 576 1HD ARG 83 1HD ARG 83 -18.675 19.143 18.851 577 2HD ARG 83 2HD ARG 83 -18.437 20.879 19.043 578 HE ARG 83 HE ARG 83 -17.259 20.968 17.069 579 1HH1 ARG 83 1HH1 ARG 83 -17.616 17.561 18.014 580 2HH1 ARG 83 2HH1 ARG 83 -16.989 16.939 16.520 581 1HH2 ARG 83 1HH2 ARG 83 -16.343 20.146 15.141 582 2HH2 ARG 83 2HH2 ARG 83 -16.101 18.425 14.953 583 H ASN 84 H ASN 84 -15.062 18.376 24.374 584 HA ASN 84 HA ASN 84 -17.104 16.748 25.435 585 1HB ASN 84 1HB ASN 84 -14.635 16.616 25.918 586 2HB ASN 84 2HB ASN 84 -14.838 17.930 27.078 587 1HD2 ASN 84 2HD2 ASN 84 -16.466 17.486 28.967 588 2HD2 ASN 84 1HD2 ASN 84 -16.617 15.807 29.429 589 HA PRO 85 HA PRO 85 -19.770 19.820 27.483 590 1HB PRO 85 1HB PRO 85 -20.075 17.463 29.366 591 2HB PRO 85 2HB PRO 85 -21.338 18.598 28.801 592 1HG PRO 85 1HG PRO 85 -21.109 16.174 27.619 593 2HG PRO 85 2HG PRO 85 -21.285 17.630 26.592 594 1HD PRO 85 1HD PRO 85 -18.754 16.114 27.256 595 2HD PRO 85 2HD PRO 85 -19.311 16.780 25.689 Start of MODEL 5 1 1H LYS 1 1H LYS 1 2.623 18.010 -6.955 2 2H LYS 1 2H LYS 1 2.341 19.470 -7.685 3 3H LYS 1 3H LYS 1 1.090 18.599 -7.045 4 HA LYS 1 HA LYS 1 1.014 18.368 -9.357 5 1HB LYS 1 1HB LYS 1 2.892 17.346 -10.586 6 2HB LYS 1 2HB LYS 1 3.326 18.906 -9.876 7 1HG LYS 1 1HG LYS 1 4.558 17.811 -8.066 8 2HG LYS 1 2HG LYS 1 4.001 16.213 -8.607 9 1HD LYS 1 1HD LYS 1 5.194 16.459 -10.731 10 2HD LYS 1 2HD LYS 1 5.695 18.103 -10.297 11 1HE LYS 1 1HE LYS 1 7.510 16.462 -9.953 12 2HE LYS 1 2HE LYS 1 7.049 17.240 -8.429 13 1HZ LYS 1 1HZ LYS 1 6.062 14.609 -9.305 14 2HZ LYS 1 2HZ LYS 1 7.340 14.835 -8.278 15 3HZ LYS 1 3HZ LYS 1 5.828 15.320 -7.845 16 H ALA 2 H ALA 2 0.672 16.275 -10.490 17 HA ALA 2 HA ALA 2 0.276 13.993 -8.616 18 1HB ALA 2 1HB ALA 2 -0.678 14.467 -11.473 19 2HB ALA 2 2HB ALA 2 -1.019 13.032 -10.484 20 3HB ALA 2 3HB ALA 2 -1.660 14.614 -9.997 21 H THR 3 H THR 3 1.655 12.186 -8.817 22 HA THR 3 HA THR 3 3.036 11.624 -11.266 23 HB THR 3 HB THR 3 4.778 12.060 -8.800 24 HG1 THR 3 HG1 THR 3 3.977 13.883 -10.751 25 1HG2 THR 3 1HG2 THR 3 5.447 11.824 -11.772 26 2HG2 THR 3 2HG2 THR 3 6.612 12.082 -10.460 27 3HG2 THR 3 3HG2 THR 3 5.720 10.559 -10.554 28 H MET 4 H MET 4 3.909 9.363 -11.051 29 HA MET 4 HA MET 4 3.520 7.209 -10.546 30 1HB MET 4 1HB MET 4 3.111 8.013 -7.625 31 2HB MET 4 2HB MET 4 3.440 6.408 -8.283 32 1HG MET 4 1HG MET 4 5.502 7.003 -7.547 33 2HG MET 4 2HG MET 4 5.594 7.405 -9.263 34 1HE MET 4 1HE MET 4 7.772 8.281 -7.346 35 2HE MET 4 2HE MET 4 7.711 8.847 -9.034 36 3HE MET 4 3HE MET 4 7.981 10.013 -7.719 37 H GLN 5 H GLN 5 1.510 6.189 -8.561 38 HA GLN 5 HA GLN 5 -0.510 6.030 -10.503 39 1HB GLN 5 1HB GLN 5 -0.054 4.211 -8.978 40 2HB GLN 5 2HB GLN 5 -0.473 5.205 -7.576 41 1HG GLN 5 1HG GLN 5 -2.250 3.638 -8.087 42 2HG GLN 5 2HG GLN 5 -2.839 5.279 -8.293 43 1HE2 GLN 5 2HE2 GLN 5 -2.941 6.122 -10.643 44 2HE2 GLN 5 1HE2 GLN 5 -3.285 4.908 -11.864 45 H CYS 6 H CYS 6 -0.648 7.585 -7.285 46 HA CYS 6 HA CYS 6 -2.066 9.017 -6.294 47 1HB CYS 6 1HB CYS 6 -2.614 10.054 -9.101 48 2HB CYS 6 2HB CYS 6 -3.155 10.810 -7.615 49 H GLY 7 H GLY 7 -3.910 8.233 -9.257 50 1HA GLY 7 1HA GLY 7 -5.876 7.109 -9.561 51 2HA GLY 7 2HA GLY 7 -5.719 6.445 -7.929 52 H GLU 8 H GLU 8 -6.066 8.277 -6.181 53 HA GLU 8 HA GLU 8 -8.759 9.466 -6.747 54 1HB GLU 8 1HB GLU 8 -7.465 8.776 -4.072 55 2HB GLU 8 2HB GLU 8 -9.118 9.360 -4.343 56 1HG GLU 8 1HG GLU 8 -9.510 7.341 -5.828 57 2HG GLU 8 2HG GLU 8 -7.963 6.701 -5.251 58 H ASN 9 H ASN 9 -8.759 11.290 -4.602 59 HA ASN 9 HA ASN 9 -7.538 13.555 -5.873 60 1HB ASN 9 1HB ASN 9 -9.747 13.514 -4.737 61 2HB ASN 9 2HB ASN 9 -8.942 13.328 -3.177 62 1HD2 ASN 9 2HD2 ASN 9 -7.371 15.101 -2.591 63 2HD2 ASN 9 1HD2 ASN 9 -7.791 16.751 -3.085 64 H GLU 10 H GLU 10 -5.334 12.503 -5.757 65 HA GLU 10 HA GLU 10 -3.912 13.023 -3.200 66 1HB GLU 10 1HB GLU 10 -3.304 11.009 -5.392 67 2HB GLU 10 2HB GLU 10 -2.445 11.200 -3.873 68 1HG GLU 10 1HG GLU 10 -4.918 10.767 -2.875 69 2HG GLU 10 2HG GLU 10 -5.141 9.983 -4.438 70 H LYS 11 H LYS 11 -1.679 13.578 -3.348 71 HA LYS 11 HA LYS 11 -0.740 14.930 -5.808 72 1HB LYS 11 1HB LYS 11 -1.613 16.714 -4.449 73 2HB LYS 11 2HB LYS 11 -0.887 16.041 -2.974 74 1HG LYS 11 1HG LYS 11 1.341 16.572 -3.779 75 2HG LYS 11 2HG LYS 11 0.693 17.141 -5.331 76 1HD LYS 11 1HD LYS 11 -0.479 18.971 -4.213 77 2HD LYS 11 2HD LYS 11 -0.035 18.349 -2.614 78 1HE LYS 11 1HE LYS 11 1.995 19.266 -4.704 79 2HE LYS 11 2HE LYS 11 1.377 20.281 -3.389 80 1HZ LYS 11 1HZ LYS 11 2.811 17.749 -2.988 81 2HZ LYS 11 2HZ LYS 11 3.456 19.257 -2.840 82 3HZ LYS 11 3HZ LYS 11 2.258 18.778 -1.818 83 H TYR 12 H TYR 12 1.531 14.917 -5.942 84 HA TYR 12 HA TYR 12 2.945 12.672 -5.069 85 1HB TYR 12 1HB TYR 12 3.645 13.902 -6.988 86 2HB TYR 12 2HB TYR 12 3.773 15.403 -6.066 87 HD1 TYR 12 HD1 TYR 12 5.319 12.025 -6.482 88 HD2 TYR 12 HD2 TYR 12 5.726 15.981 -4.823 89 HE1 TYR 12 HE1 TYR 12 7.643 11.509 -5.809 90 HE2 TYR 12 HE2 TYR 12 7.993 15.416 -4.031 91 HH TYR 12 HH TYR 12 9.361 13.583 -3.539 92 H ASP 13 H ASP 13 4.353 12.266 -3.300 93 HA ASP 13 HA ASP 13 5.233 14.459 -1.627 94 1HB ASP 13 1HB ASP 13 2.923 13.859 -0.764 95 2HB ASP 13 2HB ASP 13 3.560 12.283 -0.312 96 H SER 14 H SER 14 7.047 13.883 -0.374 97 HA SER 14 HA SER 14 8.562 11.746 -1.691 98 1HB SER 14 1HB SER 14 9.549 13.982 0.080 99 2HB SER 14 2HB SER 14 10.506 12.992 -1.033 100 HG SER 14 HG SER 14 9.784 15.147 -1.782 101 H CYS 15 H CYS 15 6.902 10.593 0.532 102 HA CYS 15 HA CYS 15 8.999 8.967 1.568 103 1HB CYS 15 1HB CYS 15 9.497 10.863 3.118 104 2HB CYS 15 2HB CYS 15 7.820 10.834 3.649 105 H GLY 16 H GLY 16 7.352 7.574 0.564 106 1HA GLY 16 1HA GLY 16 6.354 5.621 1.746 107 2HA GLY 16 2HA GLY 16 5.206 6.736 2.483 108 H SER 17 H SER 17 4.242 4.630 0.988 109 HA SER 17 HA SER 17 3.576 5.450 -1.712 110 1HB SER 17 1HB SER 17 2.014 3.526 -1.536 111 2HB SER 17 2HB SER 17 3.702 3.131 -1.168 112 HG SER 17 HG SER 17 2.415 2.241 0.441 113 H LYS 18 H LYS 18 1.044 4.519 0.425 114 HA LYS 18 HA LYS 18 -0.321 7.208 0.271 115 1HB LYS 18 1HB LYS 18 -1.211 4.401 1.097 116 2HB LYS 18 2HB LYS 18 -2.145 5.851 1.479 117 1HG LYS 18 1HG LYS 18 -2.900 4.591 -0.542 118 2HG LYS 18 2HG LYS 18 -2.637 6.329 -0.764 119 1HD LYS 18 1HD LYS 18 -0.591 5.945 -1.993 120 2HD LYS 18 2HD LYS 18 -0.592 4.217 -1.563 121 1HE LYS 18 1HE LYS 18 -1.320 4.621 -3.895 122 2HE LYS 18 2HE LYS 18 -2.563 3.810 -2.925 123 1HZ LYS 18 1HZ LYS 18 -2.517 6.698 -3.487 124 2HZ LYS 18 2HZ LYS 18 -3.426 5.586 -4.296 125 3HZ LYS 18 3HZ LYS 18 -3.697 5.854 -2.696 126 H GLU 19 H GLU 19 1.552 7.918 1.291 127 HA GLU 19 HA GLU 19 2.818 7.266 3.495 128 1HB GLU 19 1HB GLU 19 1.815 10.110 3.095 129 2HB GLU 19 2HB GLU 19 3.261 9.570 3.979 130 1HG GLU 19 1HG GLU 19 4.054 8.595 1.749 131 2HG GLU 19 2HG GLU 19 2.775 9.530 0.969 132 H CYS 20 H CYS 20 2.495 6.859 5.569 133 HA CYS 20 HA CYS 20 0.104 6.943 7.028 134 1HB CYS 20 1HB CYS 20 2.080 5.710 7.741 135 2HB CYS 20 2HB CYS 20 2.972 7.213 8.005 136 H ASP 21 H ASP 21 2.440 9.452 6.339 137 HA ASP 21 HA ASP 21 1.963 11.665 7.747 138 1HB ASP 21 1HB ASP 21 3.172 11.400 5.487 139 2HB ASP 21 2HB ASP 21 1.609 11.605 4.709 140 H LYS 22 H LYS 22 -0.368 10.488 5.255 141 HA LYS 22 HA LYS 22 -2.294 12.608 6.093 142 1HB LYS 22 1HB LYS 22 -2.316 10.745 3.709 143 2HB LYS 22 2HB LYS 22 -3.445 12.067 4.003 144 1HG LYS 22 1HG LYS 22 -0.477 12.366 3.435 145 2HG LYS 22 2HG LYS 22 -1.839 12.781 2.380 146 1HD LYS 22 1HD LYS 22 -2.627 14.416 4.155 147 2HD LYS 22 2HD LYS 22 -1.069 14.169 4.969 148 1HE LYS 22 1HE LYS 22 -1.562 15.299 2.182 149 2HE LYS 22 2HE LYS 22 -0.896 16.137 3.596 150 1HZ LYS 22 1HZ LYS 22 0.991 14.653 3.479 151 2HZ LYS 22 2HZ LYS 22 0.387 13.952 2.116 152 3HZ LYS 22 3HZ LYS 22 0.826 15.537 2.096 153 H LYS 23 H LYS 23 -1.748 9.805 7.560 154 HA LYS 23 HA LYS 23 -4.175 8.373 7.119 155 1HB LYS 23 1HB LYS 23 -3.628 7.085 9.064 156 2HB LYS 23 2HB LYS 23 -2.184 7.397 8.116 157 1HG LYS 23 1HG LYS 23 -1.347 7.745 10.178 158 2HG LYS 23 2HG LYS 23 -1.827 9.411 9.832 159 1HD LYS 23 1HD LYS 23 -3.799 9.209 11.181 160 2HD LYS 23 2HD LYS 23 -3.598 7.463 11.386 161 1HE LYS 23 1HE LYS 23 -1.677 9.610 12.415 162 2HE LYS 23 2HE LYS 23 -2.932 8.812 13.377 163 1HZ LYS 23 1HZ LYS 23 -1.846 6.719 12.939 164 2HZ LYS 23 2HZ LYS 23 -0.640 7.484 12.114 165 3HZ LYS 23 3HZ LYS 23 -0.850 7.772 13.720 166 H CYS 24 H CYS 24 -5.951 8.080 8.725 167 HA CYS 24 HA CYS 24 -7.155 10.580 9.424 168 1HB CYS 24 1HB CYS 24 -8.606 8.864 8.897 169 2HB CYS 24 2HB CYS 24 -7.883 7.706 10.027 170 H LYS 25 H LYS 25 -5.606 11.636 10.604 171 HA LYS 25 HA LYS 25 -5.116 10.853 13.427 172 1HB LYS 25 1HB LYS 25 -3.320 11.557 11.685 173 2HB LYS 25 2HB LYS 25 -3.945 13.190 11.860 174 1HG LYS 25 1HG LYS 25 -2.820 11.411 14.070 175 2HG LYS 25 2HG LYS 25 -1.898 12.629 13.222 176 1HD LYS 25 1HD LYS 25 -4.268 13.152 15.083 177 2HD LYS 25 2HD LYS 25 -2.576 13.444 15.404 178 1HE LYS 25 1HE LYS 25 -4.262 14.922 13.336 179 2HE LYS 25 2HE LYS 25 -3.638 15.538 14.870 180 1HZ LYS 25 1HZ LYS 25 -1.409 15.126 14.015 181 2HZ LYS 25 2HZ LYS 25 -2.047 14.718 12.554 182 3HZ LYS 25 3HZ LYS 25 -2.245 16.248 13.131 183 H TYR 26 H TYR 26 -6.358 11.924 14.991 184 HA TYR 26 HA TYR 26 -7.746 14.444 14.284 185 1HB TYR 26 1HB TYR 26 -9.940 13.536 14.749 186 2HB TYR 26 2HB TYR 26 -9.226 12.945 13.271 187 HD1 TYR 26 HD1 TYR 26 -7.907 10.542 13.586 188 HD2 TYR 26 HD2 TYR 26 -11.173 11.972 16.008 189 HE1 TYR 26 HE1 TYR 26 -8.127 8.311 14.590 190 HE2 TYR 26 HE2 TYR 26 -11.413 9.711 16.978 191 HH TYR 26 HH TYR 26 -10.545 7.585 17.120 192 H ASP 27 H ASP 27 -8.241 11.883 16.720 193 HA ASP 27 HA ASP 27 -8.699 14.039 18.680 194 1HB ASP 27 1HB ASP 27 -10.438 12.370 18.327 195 2HB ASP 27 2HB ASP 27 -9.314 11.066 18.714 196 H GLY 28 H GLY 28 -6.976 14.739 19.768 197 1HA GLY 28 1HA GLY 28 -4.605 13.276 20.295 198 2HA GLY 28 2HA GLY 28 -5.201 14.632 21.262 199 H VAL 29 H VAL 29 -7.459 13.782 22.429 200 HA VAL 29 HA VAL 29 -6.435 11.916 24.435 201 HB VAL 29 HB VAL 29 -9.154 13.269 24.453 202 1HG1 VAL 29 1HG1 VAL 29 -8.697 11.518 26.209 203 2HG1 VAL 29 2HG1 VAL 29 -7.240 12.411 26.680 204 3HG1 VAL 29 3HG1 VAL 29 -8.845 13.137 26.896 205 1HG2 VAL 29 1HG2 VAL 29 -6.472 14.425 25.283 206 2HG2 VAL 29 2HG2 VAL 29 -7.609 15.085 24.075 207 3HG2 VAL 29 3HG2 VAL 29 -8.046 15.083 25.785 208 H GLU 30 H GLU 30 -6.564 10.458 22.305 209 HA GLU 30 HA GLU 30 -8.241 8.283 23.026 210 1HB GLU 30 1HB GLU 30 -9.962 9.649 21.807 211 2HB GLU 30 2HB GLU 30 -8.950 9.567 20.350 212 1HG GLU 30 1HG GLU 30 -9.246 7.102 20.334 213 2HG GLU 30 2HG GLU 30 -10.212 7.213 21.816 214 H GLU 31 H GLU 31 -6.564 9.899 20.297 215 HA GLU 31 HA GLU 31 -5.272 7.583 19.259 216 1HB GLU 31 1HB GLU 31 -5.678 9.780 18.130 217 2HB GLU 31 2HB GLU 31 -4.420 10.514 19.142 218 1HG GLU 31 1HG GLU 31 -2.763 8.931 18.160 219 2HG GLU 31 2HG GLU 31 -4.047 8.227 17.154 220 H GLU 32 H GLU 32 -4.164 10.183 21.486 221 HA GLU 32 HA GLU 32 -2.268 10.382 22.758 222 1HB GLU 32 1HB GLU 32 -3.437 7.756 23.766 223 2HB GLU 32 2HB GLU 32 -2.412 8.873 24.683 224 1HG GLU 32 1HG GLU 32 -4.152 10.658 24.413 225 2HG GLU 32 2HG GLU 32 -5.174 9.478 23.566 226 H ASP 33 H ASP 33 -1.141 9.580 20.446 227 HA ASP 33 HA ASP 33 1.107 7.907 21.291 228 1HB ASP 33 1HB ASP 33 -0.455 6.120 20.875 229 2HB ASP 33 2HB ASP 33 -0.982 6.826 19.351 230 H ASP 34 H ASP 34 -0.274 8.263 18.034 231 HA ASP 34 HA ASP 34 2.278 8.869 16.963 232 1HB ASP 34 1HB ASP 34 0.647 7.695 15.670 233 2HB ASP 34 2HB ASP 34 -0.528 9.008 15.795 234 H GLU 35 H GLU 35 -0.621 10.967 16.891 235 HA GLU 35 HA GLU 35 -0.969 13.139 17.008 236 1HB GLU 35 1HB GLU 35 1.736 13.570 18.301 237 2HB GLU 35 2HB GLU 35 0.268 14.543 18.429 238 1HG GLU 35 1HG GLU 35 0.824 11.799 19.617 239 2HG GLU 35 2HG GLU 35 0.456 13.296 20.463 240 H GLU 36 H GLU 36 2.515 12.949 16.185 241 HA GLU 36 HA GLU 36 2.074 14.745 13.833 242 1HB GLU 36 1HB GLU 36 4.628 13.846 15.222 243 2HB GLU 36 2HB GLU 36 4.531 14.868 13.777 244 1HG GLU 36 1HG GLU 36 3.224 16.559 15.078 245 2HG GLU 36 2HG GLU 36 3.392 15.557 16.529 246 HA PRO 37 HA PRO 37 2.170 10.559 12.108 247 1HB PRO 37 1HB PRO 37 1.045 10.939 9.704 248 2HB PRO 37 2HB PRO 37 0.142 11.165 11.221 249 1HG PRO 37 1HG PRO 37 1.493 13.332 9.576 250 2HG PRO 37 2HG PRO 37 -0.201 13.300 10.150 251 1HD PRO 37 1HD PRO 37 1.782 14.589 11.522 252 2HD PRO 37 2HD PRO 37 0.450 13.743 12.372 253 H ASN 38 H ASN 38 2.893 9.453 10.081 254 HA ASN 38 HA ASN 38 4.484 8.719 8.767 255 1HB ASN 38 1HB ASN 38 4.172 11.310 7.833 256 2HB ASN 38 2HB ASN 38 5.905 11.215 8.081 257 1HD2 ASN 38 2HD2 ASN 38 6.848 10.730 6.064 258 2HD2 ASN 38 1HD2 ASN 38 6.177 9.564 4.929 259 H VAL 39 H VAL 39 6.054 11.349 10.640 260 HA VAL 39 HA VAL 39 8.591 10.088 10.552 261 HB VAL 39 HB VAL 39 7.571 12.295 12.367 262 1HG1 VAL 39 1HG1 VAL 39 10.415 11.280 11.908 263 2HG1 VAL 39 2HG1 VAL 39 9.979 12.781 12.751 264 3HG1 VAL 39 3HG1 VAL 39 9.528 11.221 13.446 265 1HG2 VAL 39 1HG2 VAL 39 9.256 12.300 9.839 266 2HG2 VAL 39 2HG2 VAL 39 7.570 12.842 9.974 267 3HG2 VAL 39 3HG2 VAL 39 8.846 13.715 10.828 268 HA PRO 40 HA PRO 40 8.149 8.196 14.902 269 1HB PRO 40 1HB PRO 40 5.800 8.308 16.298 270 2HB PRO 40 2HB PRO 40 7.038 9.594 16.390 271 1HG PRO 40 1HG PRO 40 4.578 9.539 14.607 272 2HG PRO 40 2HG PRO 40 5.098 10.843 15.710 273 1HD PRO 40 1HD PRO 40 5.711 10.936 13.074 274 2HD PRO 40 2HD PRO 40 6.920 11.418 14.307 275 H CYS 41 H CYS 41 5.382 8.283 12.718 276 HA CYS 41 HA CYS 41 4.454 5.610 13.083 277 1HB CYS 41 1HB CYS 41 3.271 7.540 11.976 278 2HB CYS 41 2HB CYS 41 4.329 7.306 10.578 279 H LEU 42 H LEU 42 7.336 6.855 11.583 280 HA LEU 42 HA LEU 42 9.146 5.870 10.807 281 1HB LEU 42 1HB LEU 42 7.863 3.127 11.070 282 2HB LEU 42 2HB LEU 42 9.568 3.523 10.900 283 HG LEU 42 HG LEU 42 7.801 4.128 13.305 284 1HD1 LEU 42 1HD1 LEU 42 8.438 1.767 13.038 285 2HD1 LEU 42 2HD1 LEU 42 10.152 2.231 12.940 286 3HD1 LEU 42 3HD1 LEU 42 9.237 2.501 14.440 287 1HD2 LEU 42 1HD2 LEU 42 10.757 4.748 12.842 288 2HD2 LEU 42 2HD2 LEU 42 9.456 5.934 13.100 289 3HD2 LEU 42 3HD2 LEU 42 9.925 4.849 14.409 290 H VAL 43 H VAL 43 6.342 4.126 9.469 291 HA VAL 43 HA VAL 43 5.701 3.589 7.389 292 HB VAL 43 HB VAL 43 7.808 5.405 6.158 293 1HG1 VAL 43 1HG1 VAL 43 5.161 4.350 5.127 294 2HG1 VAL 43 2HG1 VAL 43 6.237 5.497 4.300 295 3HG1 VAL 43 3HG1 VAL 43 6.791 3.854 4.617 296 1HG2 VAL 43 1HG2 VAL 43 4.962 6.093 7.033 297 2HG2 VAL 43 2HG2 VAL 43 6.449 6.797 7.709 298 3HG2 VAL 43 3HG2 VAL 43 6.016 7.110 6.027 299 H ARG 44 H ARG 44 9.264 3.928 7.432 300 HA ARG 44 HA ARG 44 10.941 2.491 7.090 301 1HB ARG 44 1HB ARG 44 9.254 0.755 8.176 302 2HB ARG 44 2HB ARG 44 9.199 0.082 6.545 303 1HG ARG 44 1HG ARG 44 11.661 0.524 8.298 304 2HG ARG 44 2HG ARG 44 10.872 -1.020 7.973 305 1HD ARG 44 1HD ARG 44 12.362 0.706 5.949 306 2HD ARG 44 2HD ARG 44 12.906 -0.796 6.661 307 HE ARG 44 HE ARG 44 10.886 -1.900 5.646 308 1HH1 ARG 44 1HH1 ARG 44 12.091 0.995 3.971 309 2HH1 ARG 44 2HH1 ARG 44 12.227 0.189 2.434 310 1HH2 ARG 44 1HH2 ARG 44 10.819 -2.841 3.602 311 2HH2 ARG 44 2HH2 ARG 44 11.309 -1.949 2.189 312 H VAL 45 H VAL 45 8.200 1.607 4.955 313 HA VAL 45 HA VAL 45 9.841 1.584 2.534 314 HB VAL 45 HB VAL 45 7.691 1.276 1.378 315 1HG1 VAL 45 1HG1 VAL 45 8.932 -0.644 2.260 316 2HG1 VAL 45 2HG1 VAL 45 8.054 -0.533 3.801 317 3HG1 VAL 45 3HG1 VAL 45 7.186 -0.930 2.306 318 1HG2 VAL 45 1HG2 VAL 45 6.147 2.583 2.830 319 2HG2 VAL 45 2HG2 VAL 45 5.609 0.918 2.615 320 3HG2 VAL 45 3HG2 VAL 45 6.372 1.405 4.133 321 H CYS 46 H CYS 46 10.524 3.901 3.610 322 HA CYS 46 HA CYS 46 8.822 6.157 2.888 323 1HB CYS 46 1HB CYS 46 10.362 6.134 4.842 324 2HB CYS 46 2HB CYS 46 11.721 6.003 3.716 325 H HIS 47 H HIS 47 8.800 4.991 0.586 326 HA HIS 47 HA HIS 47 10.890 6.247 -1.152 327 1HB HIS 47 1HB HIS 47 10.149 4.872 -2.909 328 2HB HIS 47 2HB HIS 47 10.380 3.809 -1.520 329 HD1 HIS 47 HD1 HIS 47 7.529 5.460 -3.567 330 HD2 HIS 47 HD2 HIS 47 8.206 2.461 -0.685 331 HE1 HIS 47 HE1 HIS 47 5.375 4.128 -3.378 332 H GLN 48 H GLN 48 10.269 8.060 -2.230 333 HA GLN 48 HA GLN 48 7.938 9.507 -1.816 334 1HB GLN 48 1HB GLN 48 8.482 10.707 -3.814 335 2HB GLN 48 2HB GLN 48 9.985 10.361 -2.956 336 1HG GLN 48 1HG GLN 48 8.929 8.856 -5.397 337 2HG GLN 48 2HG GLN 48 10.165 10.114 -5.422 338 1HE2 GLN 48 2HE2 GLN 48 10.411 7.317 -6.354 339 2HE2 GLN 48 1HE2 GLN 48 11.722 6.645 -5.402 340 H ASP 49 H ASP 49 5.939 9.790 -2.922 341 HA ASP 49 HA ASP 49 5.190 8.228 -5.190 342 1HB ASP 49 1HB ASP 49 5.166 6.528 -3.185 343 2HB ASP 49 2HB ASP 49 3.726 7.403 -2.685 344 H CYS 50 H CYS 50 2.267 8.208 -4.051 345 HA CYS 50 HA CYS 50 1.729 11.110 -4.012 346 1HB CYS 50 1HB CYS 50 1.479 10.040 -6.306 347 2HB CYS 50 2HB CYS 50 0.147 9.085 -5.648 348 H VAL 51 H VAL 51 0.024 11.641 -2.623 349 HA VAL 51 HA VAL 51 -1.571 9.503 -1.372 350 HB VAL 51 HB VAL 51 0.553 9.595 -0.090 351 1HG1 VAL 51 1HG1 VAL 51 1.144 11.970 -0.463 352 2HG1 VAL 51 2HG1 VAL 51 -0.217 12.479 0.550 353 3HG1 VAL 51 3HG1 VAL 51 1.125 11.567 1.260 354 1HG2 VAL 51 1HG2 VAL 51 -1.582 8.989 1.027 355 2HG2 VAL 51 2HG2 VAL 51 -0.434 9.779 2.125 356 3HG2 VAL 51 3HG2 VAL 51 -1.808 10.681 1.481 357 H CYS 52 H CYS 52 -3.354 10.522 -0.079 358 HA CYS 52 HA CYS 52 -4.911 12.304 -1.322 359 1HB CYS 52 1HB CYS 52 -4.573 12.186 1.678 360 2HB CYS 52 2HB CYS 52 -5.931 12.908 0.815 361 H GLU 53 H GLU 53 -5.102 14.445 -1.754 362 HA GLU 53 HA GLU 53 -2.904 16.147 -1.681 363 1HB GLU 53 1HB GLU 53 -5.870 16.789 -1.697 364 2HB GLU 53 2HB GLU 53 -4.632 18.035 -1.880 365 1HG GLU 53 1HG GLU 53 -3.742 16.881 -3.878 366 2HG GLU 53 2HG GLU 53 -5.019 15.669 -3.763 367 H GLU 54 H GLU 54 -2.276 17.956 -0.428 368 HA GLU 54 HA GLU 54 -2.314 17.672 2.372 369 1HB GLU 54 1HB GLU 54 -1.848 20.129 0.636 370 2HB GLU 54 2HB GLU 54 -1.480 20.038 2.364 371 1HG GLU 54 1HG GLU 54 0.138 18.248 2.009 372 2HG GLU 54 2HG GLU 54 -0.278 18.126 0.295 373 H GLY 55 H GLY 55 -3.870 18.019 3.847 374 1HA GLY 55 1HA GLY 55 -5.577 19.363 4.875 375 2HA GLY 55 2HA GLY 55 -6.134 19.904 3.289 376 H PHE 56 H PHE 56 -5.652 16.931 2.398 377 HA PHE 56 HA PHE 56 -8.257 15.828 3.304 378 1HB PHE 56 1HB PHE 56 -6.626 15.192 0.823 379 2HB PHE 56 2HB PHE 56 -8.183 14.522 1.263 380 HD1 PHE 56 HD1 PHE 56 -6.530 17.865 0.524 381 HD2 PHE 56 HD2 PHE 56 -10.107 15.462 0.266 382 HE1 PHE 56 HE1 PHE 56 -7.514 19.490 -1.035 383 HE2 PHE 56 HE2 PHE 56 -11.076 17.089 -1.311 384 HZ PHE 56 HZ PHE 56 -9.780 19.102 -1.986 385 H TYR 57 H TYR 57 -8.219 13.548 3.886 386 HA TYR 57 HA TYR 57 -5.529 12.514 4.682 387 1HB TYR 57 1HB TYR 57 -8.100 12.700 6.290 388 2HB TYR 57 2HB TYR 57 -6.676 11.786 6.781 389 HD1 TYR 57 HD1 TYR 57 -8.009 15.217 6.196 390 HD2 TYR 57 HD2 TYR 57 -4.645 12.891 7.569 391 HE1 TYR 57 HE1 TYR 57 -6.880 17.282 6.950 392 HE2 TYR 57 HE2 TYR 57 -3.535 14.959 8.347 393 HH TYR 57 HH TYR 57 -5.034 18.185 7.980 394 H ARG 58 H ARG 58 -5.272 10.299 4.517 395 HA ARG 58 HA ARG 58 -7.263 8.851 2.894 396 1HB ARG 58 1HB ARG 58 -5.706 6.971 2.922 397 2HB ARG 58 2HB ARG 58 -5.079 8.428 2.202 398 1HG ARG 58 1HG ARG 58 -3.221 7.949 3.249 399 2HG ARG 58 2HG ARG 58 -3.958 8.712 4.643 400 1HD ARG 58 1HD ARG 58 -2.810 6.570 5.102 401 2HD ARG 58 2HD ARG 58 -4.479 6.519 5.606 402 HE ARG 58 HE ARG 58 -3.217 5.208 3.232 403 1HH1 ARG 58 1HH1 ARG 58 -6.173 5.553 5.173 404 2HH1 ARG 58 2HH1 ARG 58 -6.710 3.913 4.905 405 1HH2 ARG 58 1HH2 ARG 58 -4.100 3.253 2.550 406 2HH2 ARG 58 2HH2 ARG 58 -5.597 2.655 3.201 407 H ASN 59 H ASN 59 -8.881 9.333 4.589 408 HA ASN 59 HA ASN 59 -8.783 7.697 6.978 409 1HB ASN 59 1HB ASN 59 -10.260 9.692 6.778 410 2HB ASN 59 2HB ASN 59 -11.227 8.842 5.565 411 1HD2 ASN 59 2HD2 ASN 59 -13.078 9.159 7.108 412 2HD2 ASN 59 1HD2 ASN 59 -13.217 8.043 8.456 413 H LYS 60 H LYS 60 -10.005 5.807 7.367 414 HA LYS 60 HA LYS 60 -10.058 3.573 7.041 415 1HB LYS 60 1HB LYS 60 -11.911 4.328 4.744 416 2HB LYS 60 2HB LYS 60 -11.900 2.820 5.654 417 1HG LYS 60 1HG LYS 60 -12.649 5.619 6.601 418 2HG LYS 60 2HG LYS 60 -13.727 4.254 6.359 419 1HD LYS 60 1HD LYS 60 -11.592 4.492 8.538 420 2HD LYS 60 2HD LYS 60 -13.333 4.661 8.733 421 1HE LYS 60 1HE LYS 60 -13.653 2.293 7.991 422 2HE LYS 60 2HE LYS 60 -11.892 2.103 7.886 423 1HZ LYS 60 1HZ LYS 60 -13.392 2.775 10.313 424 2HZ LYS 60 2HZ LYS 60 -12.736 1.309 9.948 425 3HZ LYS 60 3HZ LYS 60 -11.756 2.606 10.210 426 H ASP 61 H ASP 61 -10.349 4.223 3.578 427 HA ASP 61 HA ASP 61 -7.654 3.205 3.050 428 1HB ASP 61 1HB ASP 61 -9.010 1.149 2.927 429 2HB ASP 61 2HB ASP 61 -10.121 1.949 1.797 430 H ASP 62 H ASP 62 -7.045 5.154 2.269 431 HA ASP 62 HA ASP 62 -7.073 7.151 1.139 432 1HB ASP 62 1HB ASP 62 -7.726 5.170 -1.065 433 2HB ASP 62 2HB ASP 62 -7.143 6.820 -1.332 434 H LYS 63 H LYS 63 -9.659 6.798 2.452 435 HA LYS 63 HA LYS 63 -11.545 7.975 0.513 436 1HB LYS 63 1HB LYS 63 -11.744 7.828 3.537 437 2HB LYS 63 2HB LYS 63 -13.020 8.258 2.399 438 1HG LYS 63 1HG LYS 63 -11.639 5.560 2.651 439 2HG LYS 63 2HG LYS 63 -13.276 5.955 3.194 440 1HD LYS 63 1HD LYS 63 -13.887 6.444 0.790 441 2HD LYS 63 2HD LYS 63 -12.269 5.895 0.303 442 1HE LYS 63 1HE LYS 63 -14.370 4.184 1.691 443 2HE LYS 63 2HE LYS 63 -13.884 4.115 -0.012 444 1HZ LYS 63 1HZ LYS 63 -11.628 3.609 0.786 445 2HZ LYS 63 2HZ LYS 63 -12.226 3.466 2.311 446 3HZ LYS 63 3HZ LYS 63 -12.748 2.441 1.132 447 H CYS 64 H CYS 64 -9.893 9.465 -0.213 448 HA CYS 64 HA CYS 64 -8.698 11.429 1.442 449 1HB CYS 64 1HB CYS 64 -9.213 11.553 -1.548 450 2HB CYS 64 2HB CYS 64 -8.146 12.610 -0.627 451 H VAL 65 H VAL 65 -10.577 12.001 2.726 452 HA VAL 65 HA VAL 65 -11.767 14.536 1.675 453 HB VAL 65 HB VAL 65 -13.659 14.122 3.305 454 1HG1 VAL 65 1HG1 VAL 65 -13.934 13.940 0.864 455 2HG1 VAL 65 2HG1 VAL 65 -13.433 12.238 0.921 456 3HG1 VAL 65 3HG1 VAL 65 -14.933 12.752 1.717 457 1HG2 VAL 65 1HG2 VAL 65 -12.514 12.172 4.511 458 2HG2 VAL 65 2HG2 VAL 65 -14.202 11.911 4.002 459 3HG2 VAL 65 3HG2 VAL 65 -12.889 11.188 3.081 460 H SER 66 H SER 66 -12.399 15.962 3.741 461 HA SER 66 HA SER 66 -9.802 16.540 4.794 462 1HB SER 66 1HB SER 66 -11.210 18.431 5.863 463 2HB SER 66 2HB SER 66 -11.091 18.350 4.096 464 HG SER 66 HG SER 66 -13.273 18.597 4.767 465 H ALA 67 H ALA 67 -9.426 17.107 7.040 466 HA ALA 67 HA ALA 67 -9.487 15.023 8.803 467 1HB ALA 67 1HB ALA 67 -8.125 17.078 9.089 468 2HB ALA 67 2HB ALA 67 -9.584 17.980 9.551 469 3HB ALA 67 3HB ALA 67 -8.994 16.647 10.566 470 H GLU 68 H GLU 68 -11.899 17.581 8.511 471 HA GLU 68 HA GLU 68 -13.678 17.200 10.516 472 1HB GLU 68 1HB GLU 68 -14.621 17.422 7.634 473 2HB GLU 68 2HB GLU 68 -15.357 18.082 9.101 474 1HG GLU 68 1HG GLU 68 -12.843 19.032 7.659 475 2HG GLU 68 2HG GLU 68 -14.340 19.911 7.941 476 H ASP 69 H ASP 69 -13.420 15.053 7.642 477 HA ASP 69 HA ASP 69 -15.728 13.430 8.382 478 1HB ASP 69 1HB ASP 69 -15.013 13.506 6.064 479 2HB ASP 69 2HB ASP 69 -13.385 12.961 6.505 480 H CYS 70 H CYS 70 -12.185 12.980 8.541 481 HA CYS 70 HA CYS 70 -12.092 10.465 9.807 482 1HB CYS 70 1HB CYS 70 -10.101 11.356 8.895 483 2HB CYS 70 2HB CYS 70 -10.281 12.884 9.757 484 H GLU 71 H GLU 71 -12.154 13.695 11.284 485 HA GLU 71 HA GLU 71 -12.094 13.144 14.007 486 1HB GLU 71 1HB GLU 71 -13.539 15.256 12.381 487 2HB GLU 71 2HB GLU 71 -13.501 15.299 14.141 488 1HG GLU 71 1HG GLU 71 -11.140 15.587 14.223 489 2HG GLU 71 2HG GLU 71 -10.928 15.130 12.533 490 H LEU 72 H LEU 72 -14.876 12.695 11.771 491 HA LEU 72 HA LEU 72 -16.950 12.662 13.570 492 1HB LEU 72 1HB LEU 72 -16.787 12.558 11.013 493 2HB LEU 72 2HB LEU 72 -16.649 10.802 11.197 494 HG LEU 72 HG LEU 72 -18.759 11.679 10.532 495 1HD1 LEU 72 1HD1 LEU 72 -18.626 9.515 11.834 496 2HD1 LEU 72 2HD1 LEU 72 -19.166 10.416 13.270 497 3HD1 LEU 72 3HD1 LEU 72 -20.216 10.300 11.854 498 1HD2 LEU 72 1HD2 LEU 72 -18.762 13.809 11.801 499 2HD2 LEU 72 2HD2 LEU 72 -20.291 12.921 11.939 500 3HD2 LEU 72 3HD2 LEU 72 -19.145 12.909 13.288 501 H ASP 73 H ASP 73 -14.404 10.265 13.028 502 HA ASP 73 HA ASP 73 -15.434 7.960 14.195 503 1HB ASP 73 1HB ASP 73 -13.196 8.146 13.198 504 2HB ASP 73 2HB ASP 73 -12.668 9.181 14.531 505 H ASN 74 H ASN 74 -14.365 10.935 15.864 506 HA ASN 74 HA ASN 74 -15.250 9.735 18.483 507 1HB ASN 74 1HB ASN 74 -12.894 10.278 18.565 508 2HB ASN 74 2HB ASN 74 -13.207 11.917 17.973 509 1HD2 ASN 74 2HD2 ASN 74 -13.563 9.677 20.738 510 2HD2 ASN 74 1HD2 ASN 74 -13.970 10.927 21.901 511 H MET 75 H MET 75 -15.039 12.834 16.701 512 HA MET 75 HA MET 75 -16.100 14.794 16.952 513 1HB MET 75 1HB MET 75 -17.519 13.231 15.563 514 2HB MET 75 2HB MET 75 -18.582 13.051 16.946 515 1HG MET 75 1HG MET 75 -19.343 14.663 15.202 516 2HG MET 75 2HG MET 75 -19.276 15.348 16.812 517 1HE MET 75 1HE MET 75 -17.377 15.149 13.328 518 2HE MET 75 2HE MET 75 -16.121 16.380 13.571 519 3HE MET 75 3HE MET 75 -16.073 14.874 14.510 520 H ASP 76 H ASP 76 -15.680 13.369 19.713 521 HA ASP 76 HA ASP 76 -17.835 14.714 21.260 522 1HB ASP 76 1HB ASP 76 -17.478 12.284 21.537 523 2HB ASP 76 2HB ASP 76 -15.843 12.576 22.124 524 H PHE 77 H PHE 77 -14.341 14.026 21.783 525 HA PHE 77 HA PHE 77 -14.099 16.737 23.049 526 1HB PHE 77 1HB PHE 77 -11.835 15.373 23.803 527 2HB PHE 77 2HB PHE 77 -13.279 15.629 24.746 528 HD1 PHE 77 HD1 PHE 77 -15.002 13.896 25.031 529 HD2 PHE 77 HD2 PHE 77 -11.250 13.080 23.054 530 HE1 PHE 77 HE1 PHE 77 -15.385 11.461 25.290 531 HE2 PHE 77 HE2 PHE 77 -11.650 10.660 23.310 532 HZ PHE 77 HZ PHE 77 -13.703 9.838 24.437 533 H ILE 78 H ILE 78 -11.903 14.473 21.400 534 HA ILE 78 HA ILE 78 -10.402 14.687 19.802 535 HB ILE 78 HB ILE 78 -11.915 17.113 18.823 536 1HG1 ILE 78 1HG1 ILE 78 -12.243 14.103 18.517 537 2HG1 ILE 78 2HG1 ILE 78 -13.465 15.311 18.941 538 1HG2 ILE 78 1HG2 ILE 78 -9.573 16.818 17.902 539 2HG2 ILE 78 2HG2 ILE 78 -10.085 15.224 17.311 540 3HG2 ILE 78 3HG2 ILE 78 -10.852 16.701 16.709 541 1HD1 ILE 78 1HD1 ILE 78 -13.232 16.223 16.591 542 2HD1 ILE 78 2HD1 ILE 78 -12.193 14.822 16.222 543 3HD1 ILE 78 3HD1 ILE 78 -13.867 14.574 16.693 544 H TYR 79 H TYR 79 -10.941 17.986 20.783 545 HA TYR 79 HA TYR 79 -9.518 19.412 21.997 546 1HB TYR 79 1HB TYR 79 -7.237 18.176 20.374 547 2HB TYR 79 2HB TYR 79 -7.108 19.654 21.285 548 HD1 TYR 79 HD1 TYR 79 -8.443 19.034 23.888 549 HD2 TYR 79 HD2 TYR 79 -5.575 16.917 21.460 550 HE1 TYR 79 HE1 TYR 79 -7.289 18.275 25.917 551 HE2 TYR 79 HE2 TYR 79 -4.412 16.156 23.515 552 HH TYR 79 HH TYR 79 -5.493 17.110 26.782 553 HA PRO 80 HA PRO 80 -10.121 21.948 18.360 554 1HB PRO 80 1HB PRO 80 -9.567 24.436 19.283 555 2HB PRO 80 2HB PRO 80 -10.929 23.484 19.924 556 1HG PRO 80 1HG PRO 80 -8.140 23.695 21.107 557 2HG PRO 80 2HG PRO 80 -9.695 23.996 21.938 558 1HD PRO 80 1HD PRO 80 -8.428 21.578 22.072 559 2HD PRO 80 2HD PRO 80 -10.212 21.687 21.988 560 H GLY 81 H GLY 81 -7.933 20.413 18.058 561 1HA GLY 81 1HA GLY 81 -5.680 22.223 17.210 562 2HA GLY 81 2HA GLY 81 -5.532 20.504 17.609 563 H THR 82 H THR 82 -7.292 19.085 16.363 564 HA THR 82 HA THR 82 -6.959 19.502 13.493 565 HB THR 82 HB THR 82 -8.257 17.251 13.632 566 HG1 THR 82 HG1 THR 82 -7.973 16.497 15.967 567 1HG2 THR 82 1HG2 THR 82 -5.620 17.567 15.168 568 2HG2 THR 82 2HG2 THR 82 -6.235 16.059 14.484 569 3HG2 THR 82 3HG2 THR 82 -5.785 17.387 13.409 570 H ARG 83 H ARG 83 -9.700 18.899 15.704 571 HA ARG 83 HA ARG 83 -11.658 20.055 13.882 572 1HB ARG 83 1HB ARG 83 -12.175 18.231 15.478 573 2HB ARG 83 2HB ARG 83 -11.940 19.348 16.831 574 1HG ARG 83 1HG ARG 83 -13.851 20.702 16.083 575 2HG ARG 83 2HG ARG 83 -13.941 19.801 14.562 576 1HD ARG 83 1HD ARG 83 -15.700 19.162 16.134 577 2HD ARG 83 2HD ARG 83 -14.657 17.791 15.721 578 HE ARG 83 HE ARG 83 -13.572 18.907 18.054 579 1HH1 ARG 83 1HH1 ARG 83 -16.627 17.408 17.091 580 2HH1 ARG 83 2HH1 ARG 83 -17.082 16.930 18.697 581 1HH2 ARG 83 1HH2 ARG 83 -14.055 18.092 20.176 582 2HH2 ARG 83 2HH2 ARG 83 -15.642 17.460 20.504 583 H ASN 84 H ASN 84 -10.271 22.035 13.621 584 HA ASN 84 HA ASN 84 -11.500 24.229 15.072 585 1HB ASN 84 1HB ASN 84 -9.963 23.829 16.764 586 2HB ASN 84 2HB ASN 84 -8.619 23.536 15.677 587 1HD2 ASN 84 2HD2 ASN 84 -7.738 25.087 17.397 588 2HD2 ASN 84 1HD2 ASN 84 -7.849 26.805 17.008 589 HA PRO 85 HA PRO 85 -9.085 26.183 11.487 590 1HB PRO 85 1HB PRO 85 -7.181 24.795 10.085 591 2HB PRO 85 2HB PRO 85 -6.813 25.720 11.569 592 1HG PRO 85 1HG PRO 85 -7.399 22.746 11.361 593 2HG PRO 85 2HG PRO 85 -6.005 23.527 12.168 594 1HD PRO 85 1HD PRO 85 -8.174 22.786 13.570 595 2HD PRO 85 2HD PRO 85 -7.380 24.349 13.921 Start of MODEL 6 1 1H LYS 1 1H LYS 1 2.292 3.003 -5.129 2 2H LYS 1 2H LYS 1 2.519 1.546 -5.871 3 3H LYS 1 3H LYS 1 3.409 1.943 -4.540 4 HA LYS 1 HA LYS 1 4.475 3.714 -5.708 5 1HB LYS 1 1HB LYS 1 4.621 1.042 -7.147 6 2HB LYS 1 2HB LYS 1 5.791 2.364 -7.308 7 1HG LYS 1 1HG LYS 1 6.345 2.206 -4.907 8 2HG LYS 1 2HG LYS 1 5.185 0.869 -4.721 9 1HD LYS 1 1HD LYS 1 6.439 -0.477 -6.379 10 2HD LYS 1 2HD LYS 1 7.575 0.858 -6.621 11 1HE LYS 1 1HE LYS 1 8.543 -0.843 -5.155 12 2HE LYS 1 2HE LYS 1 8.334 0.680 -4.276 13 1HZ LYS 1 1HZ LYS 1 6.462 -1.589 -4.157 14 2HZ LYS 1 2HZ LYS 1 7.642 -1.284 -3.047 15 3HZ LYS 1 3HZ LYS 1 6.413 -0.213 -3.239 16 H ALA 2 H ALA 2 2.225 4.742 -6.362 17 HA ALA 2 HA ALA 2 1.380 4.334 -9.110 18 1HB ALA 2 1HB ALA 2 -0.135 5.014 -7.256 19 2HB ALA 2 2HB ALA 2 0.735 6.563 -7.150 20 3HB ALA 2 3HB ALA 2 -0.180 6.151 -8.614 21 H THR 3 H THR 3 3.859 4.670 -9.658 22 HA THR 3 HA THR 3 5.203 7.099 -9.571 23 HB THR 3 HB THR 3 6.495 5.858 -11.512 24 HG1 THR 3 HG1 THR 3 4.472 4.465 -11.752 25 1HG2 THR 3 1HG2 THR 3 6.112 4.635 -8.740 26 2HG2 THR 3 2HG2 THR 3 7.460 4.309 -9.846 27 3HG2 THR 3 3HG2 THR 3 7.249 5.934 -9.165 28 H MET 4 H MET 4 3.359 8.477 -10.179 29 HA MET 4 HA MET 4 2.599 10.168 -11.452 30 1HB MET 4 1HB MET 4 4.907 10.131 -12.540 31 2HB MET 4 2HB MET 4 4.167 9.233 -13.876 32 1HG MET 4 1HG MET 4 2.535 11.088 -14.184 33 2HG MET 4 2HG MET 4 3.297 11.974 -12.861 34 1HE MET 4 1HE MET 4 5.717 13.009 -12.971 35 2HE MET 4 2HE MET 4 6.474 11.479 -13.488 36 3HE MET 4 3HE MET 4 6.750 12.963 -14.420 37 H GLN 5 H GLN 5 1.279 7.863 -10.899 38 HA GLN 5 HA GLN 5 -0.428 7.412 -13.346 39 1HB GLN 5 1HB GLN 5 0.141 5.699 -10.913 40 2HB GLN 5 2HB GLN 5 -1.339 5.519 -11.857 41 1HG GLN 5 1HG GLN 5 0.237 3.914 -12.640 42 2HG GLN 5 2HG GLN 5 -0.029 5.105 -13.913 43 1HE2 GLN 5 2HE2 GLN 5 1.758 6.650 -14.396 44 2HE2 GLN 5 1HE2 GLN 5 3.367 6.280 -13.811 45 H CYS 6 H CYS 6 -0.628 8.019 -9.786 46 HA CYS 6 HA CYS 6 -3.505 8.348 -10.026 47 1HB CYS 6 1HB CYS 6 -3.577 8.479 -7.729 48 2HB CYS 6 2HB CYS 6 -2.219 7.385 -7.989 49 H GLY 7 H GLY 7 -4.672 10.217 -9.191 50 1HA GLY 7 1HA GLY 7 -3.533 12.764 -8.672 51 2HA GLY 7 2HA GLY 7 -4.039 12.696 -10.370 52 H GLU 8 H GLU 8 -5.201 11.949 -7.064 53 HA GLU 8 HA GLU 8 -7.913 12.995 -7.790 54 1HB GLU 8 1HB GLU 8 -7.816 10.457 -7.736 55 2HB GLU 8 2HB GLU 8 -7.423 10.569 -6.028 56 1HG GLU 8 1HG GLU 8 -9.737 12.212 -6.347 57 2HG GLU 8 2HG GLU 8 -9.999 10.884 -7.471 58 H ASN 9 H ASN 9 -8.271 12.072 -4.694 59 HA ASN 9 HA ASN 9 -7.704 14.596 -3.477 60 1HB ASN 9 1HB ASN 9 -8.087 11.803 -2.293 61 2HB ASN 9 2HB ASN 9 -7.933 13.267 -1.328 62 1HD2 ASN 9 2HD2 ASN 9 -10.145 12.275 -0.573 63 2HD2 ASN 9 1HD2 ASN 9 -11.530 12.889 -1.458 64 H GLU 10 H GLU 10 -5.709 11.991 -4.433 65 HA GLU 10 HA GLU 10 -3.386 12.938 -2.891 66 1HB GLU 10 1HB GLU 10 -4.014 10.129 -3.874 67 2HB GLU 10 2HB GLU 10 -2.761 10.573 -2.688 68 1HG GLU 10 1HG GLU 10 -4.863 11.144 -1.188 69 2HG GLU 10 2HG GLU 10 -5.799 10.333 -2.442 70 H LYS 11 H LYS 11 -1.477 13.050 -4.082 71 HA LYS 11 HA LYS 11 -1.767 12.784 -7.048 72 1HB LYS 11 1HB LYS 11 -0.567 14.783 -7.361 73 2HB LYS 11 2HB LYS 11 -1.799 15.167 -6.141 74 1HG LYS 11 1HG LYS 11 -0.077 14.915 -4.353 75 2HG LYS 11 2HG LYS 11 1.154 14.570 -5.583 76 1HD LYS 11 1HD LYS 11 0.767 16.759 -6.650 77 2HD LYS 11 2HD LYS 11 -0.431 17.153 -5.401 78 1HE LYS 11 1HE LYS 11 1.376 16.819 -3.655 79 2HE LYS 11 2HE LYS 11 2.542 16.570 -4.967 80 1HZ LYS 11 1HZ LYS 11 2.029 18.777 -5.738 81 2HZ LYS 11 2HZ LYS 11 0.948 18.993 -4.512 82 3HZ LYS 11 3HZ LYS 11 2.551 18.809 -4.174 83 H TYR 12 H TYR 12 0.211 12.134 -8.148 84 HA TYR 12 HA TYR 12 1.872 10.305 -6.713 85 1HB TYR 12 1HB TYR 12 1.713 10.065 -9.071 86 2HB TYR 12 2HB TYR 12 2.177 11.747 -9.349 87 HD1 TYR 12 HD1 TYR 12 3.623 8.832 -7.411 88 HD2 TYR 12 HD2 TYR 12 4.336 12.042 -10.207 89 HE1 TYR 12 HE1 TYR 12 6.038 8.413 -7.281 90 HE2 TYR 12 HE2 TYR 12 6.762 11.555 -10.133 91 HH TYR 12 HH TYR 12 8.149 9.159 -7.894 92 H ASP 13 H ASP 13 3.593 10.663 -5.360 93 HA ASP 13 HA ASP 13 5.385 12.869 -5.831 94 1HB ASP 13 1HB ASP 13 3.402 13.769 -4.351 95 2HB ASP 13 2HB ASP 13 4.147 12.805 -3.077 96 H SER 14 H SER 14 6.292 12.528 -2.939 97 HA SER 14 HA SER 14 8.156 10.406 -3.591 98 1HB SER 14 1HB SER 14 9.429 11.447 -1.722 99 2HB SER 14 2HB SER 14 9.015 12.567 -3.026 100 HG SER 14 HG SER 14 7.467 13.508 -1.775 101 H CYS 15 H CYS 15 7.581 11.183 -0.338 102 HA CYS 15 HA CYS 15 8.075 8.666 0.584 103 1HB CYS 15 1HB CYS 15 8.252 10.922 1.724 104 2HB CYS 15 2HB CYS 15 6.565 10.712 2.206 105 H GLY 16 H GLY 16 6.437 7.392 -0.854 106 1HA GLY 16 1HA GLY 16 5.071 5.518 -0.459 107 2HA GLY 16 2HA GLY 16 4.953 6.010 1.233 108 H SER 17 H SER 17 2.666 5.234 0.839 109 HA SER 17 HA SER 17 0.881 6.993 -0.568 110 1HB SER 17 1HB SER 17 0.101 5.099 1.668 111 2HB SER 17 2HB SER 17 -0.795 5.541 0.205 112 HG SER 17 HG SER 17 1.074 4.455 -0.912 113 H LYS 18 H LYS 18 2.395 8.746 0.834 114 HA LYS 18 HA LYS 18 2.656 10.204 2.546 115 1HB LYS 18 1HB LYS 18 0.488 10.942 1.556 116 2HB LYS 18 2HB LYS 18 -0.390 10.043 2.796 117 1HG LYS 18 1HG LYS 18 0.595 11.399 4.534 118 2HG LYS 18 2HG LYS 18 1.669 12.230 3.366 119 1HD LYS 18 1HD LYS 18 -0.558 12.922 2.227 120 2HD LYS 18 2HD LYS 18 -1.335 12.417 3.749 121 1HE LYS 18 1HE LYS 18 0.697 14.639 3.304 122 2HE LYS 18 2HE LYS 18 -0.988 14.772 3.840 123 1HZ LYS 18 1HZ LYS 18 -0.291 13.457 5.800 124 2HZ LYS 18 2HZ LYS 18 1.273 13.653 5.332 125 3HZ LYS 18 3HZ LYS 18 0.373 14.970 5.715 126 H GLU 19 H GLU 19 3.510 7.966 3.299 127 HA GLU 19 HA GLU 19 2.417 6.107 4.791 128 1HB GLU 19 1HB GLU 19 4.596 5.829 5.973 129 2HB GLU 19 2HB GLU 19 4.647 5.848 4.205 130 1HG GLU 19 1HG GLU 19 5.579 8.067 4.190 131 2HG GLU 19 2HG GLU 19 5.310 8.282 5.921 132 H CYS 20 H CYS 20 0.690 6.765 6.071 133 HA CYS 20 HA CYS 20 -0.469 7.419 7.898 134 1HB CYS 20 1HB CYS 20 0.591 5.366 8.654 135 2HB CYS 20 2HB CYS 20 1.955 6.274 9.313 136 H ASP 21 H ASP 21 1.103 9.446 6.653 137 HA ASP 21 HA ASP 21 1.901 11.231 8.876 138 1HB ASP 21 1HB ASP 21 3.283 10.881 6.684 139 2HB ASP 21 2HB ASP 21 2.071 11.877 5.919 140 H LYS 22 H LYS 22 0.490 12.896 9.462 141 HA LYS 22 HA LYS 22 -1.653 13.468 9.990 142 1HB LYS 22 1HB LYS 22 -1.537 14.423 7.124 143 2HB LYS 22 2HB LYS 22 -2.511 15.081 8.441 144 1HG LYS 22 1HG LYS 22 -0.493 15.685 9.718 145 2HG LYS 22 2HG LYS 22 0.540 15.003 8.443 146 1HD LYS 22 1HD LYS 22 -0.298 16.571 6.818 147 2HD LYS 22 2HD LYS 22 -1.447 17.243 7.988 148 1HE LYS 22 1HE LYS 22 0.528 18.709 7.748 149 2HE LYS 22 2HE LYS 22 0.410 18.062 9.395 150 1HZ LYS 22 1HZ LYS 22 2.138 16.947 7.294 151 2HZ LYS 22 2HZ LYS 22 2.633 17.982 8.480 152 3HZ LYS 22 3HZ LYS 22 2.072 16.488 8.881 153 H LYS 23 H LYS 23 -2.073 10.992 9.981 154 HA LYS 23 HA LYS 23 -4.154 10.189 8.089 155 1HB LYS 23 1HB LYS 23 -4.325 8.184 9.209 156 2HB LYS 23 2HB LYS 23 -2.608 8.568 9.257 157 1HG LYS 23 1HG LYS 23 -4.645 8.777 11.525 158 2HG LYS 23 2HG LYS 23 -3.334 7.611 11.330 159 1HD LYS 23 1HD LYS 23 -1.702 9.594 11.471 160 2HD LYS 23 2HD LYS 23 -3.102 10.585 11.969 161 1HE LYS 23 1HE LYS 23 -3.530 8.880 13.810 162 2HE LYS 23 2HE LYS 23 -2.067 8.011 13.301 163 1HZ LYS 23 1HZ LYS 23 -0.838 10.053 13.794 164 2HZ LYS 23 2HZ LYS 23 -2.230 10.717 14.380 165 3HZ LYS 23 3HZ LYS 23 -1.580 9.393 15.116 166 H CYS 24 H CYS 24 -6.379 9.530 9.216 167 HA CYS 24 HA CYS 24 -7.766 11.774 9.465 168 1HB CYS 24 1HB CYS 24 -8.352 9.048 10.032 169 2HB CYS 24 2HB CYS 24 -9.237 10.101 11.141 170 H LYS 25 H LYS 25 -7.499 13.531 10.597 171 HA LYS 25 HA LYS 25 -6.222 13.449 13.172 172 1HB LYS 25 1HB LYS 25 -7.114 15.553 11.242 173 2HB LYS 25 2HB LYS 25 -6.668 16.052 12.873 174 1HG LYS 25 1HG LYS 25 -4.890 14.495 10.954 175 2HG LYS 25 2HG LYS 25 -4.776 16.225 11.285 176 1HD LYS 25 1HD LYS 25 -4.110 13.894 13.121 177 2HD LYS 25 2HD LYS 25 -3.056 15.154 12.505 178 1HE LYS 25 1HE LYS 25 -5.280 15.533 14.570 179 2HE LYS 25 2HE LYS 25 -3.547 15.556 14.879 180 1HZ LYS 25 1HZ LYS 25 -4.950 17.489 13.190 181 2HZ LYS 25 2HZ LYS 25 -4.438 17.738 14.736 182 3HZ LYS 25 3HZ LYS 25 -3.335 17.483 13.538 183 H TYR 26 H TYR 26 -7.394 12.674 14.739 184 HA TYR 26 HA TYR 26 -9.995 13.827 15.547 185 1HB TYR 26 1HB TYR 26 -8.267 11.957 17.177 186 2HB TYR 26 2HB TYR 26 -10.013 12.093 17.163 187 HD1 TYR 26 HD1 TYR 26 -11.090 11.515 14.700 188 HD2 TYR 26 HD2 TYR 26 -7.278 10.123 16.167 189 HE1 TYR 26 HE1 TYR 26 -11.113 9.693 13.041 190 HE2 TYR 26 HE2 TYR 26 -7.272 8.344 14.473 191 HH TYR 26 HH TYR 26 -8.405 7.412 12.660 192 H ASP 27 H ASP 27 -6.557 13.903 16.222 193 HA ASP 27 HA ASP 27 -5.191 15.139 17.513 194 1HB ASP 27 1HB ASP 27 -7.568 16.883 18.268 195 2HB ASP 27 2HB ASP 27 -5.878 17.160 18.687 196 H GLY 28 H GLY 28 -6.791 16.132 20.206 197 1HA GLY 28 1HA GLY 28 -6.724 15.282 22.330 198 2HA GLY 28 2HA GLY 28 -7.788 14.062 21.629 199 H VAL 29 H VAL 29 -6.911 12.046 21.164 200 HA VAL 29 HA VAL 29 -4.811 11.226 23.003 201 HB VAL 29 HB VAL 29 -5.202 8.953 22.117 202 1HG1 VAL 29 1HG1 VAL 29 -6.462 9.873 24.036 203 2HG1 VAL 29 2HG1 VAL 29 -7.732 10.438 22.932 204 3HG1 VAL 29 3HG1 VAL 29 -7.401 8.699 23.106 205 1HG2 VAL 29 1HG2 VAL 29 -5.885 9.527 19.786 206 2HG2 VAL 29 2HG2 VAL 29 -7.044 8.481 20.620 207 3HG2 VAL 29 3HG2 VAL 29 -7.408 10.201 20.409 208 H GLU 30 H GLU 30 -4.820 12.163 19.642 209 HA GLU 30 HA GLU 30 -2.230 10.945 19.017 210 1HB GLU 30 1HB GLU 30 -3.696 13.271 17.710 211 2HB GLU 30 2HB GLU 30 -2.341 12.364 17.032 212 1HG GLU 30 1HG GLU 30 -3.725 10.333 16.897 213 2HG GLU 30 2HG GLU 30 -5.093 11.182 17.635 214 H GLU 31 H GLU 31 -1.832 12.045 21.478 215 HA GLU 31 HA GLU 31 -1.096 13.749 22.801 216 1HB GLU 31 1HB GLU 31 0.943 14.047 20.572 217 2HB GLU 31 2HB GLU 31 1.178 14.418 22.281 218 1HG GLU 31 1HG GLU 31 0.765 11.639 21.072 219 2HG GLU 31 2HG GLU 31 2.256 12.299 21.739 220 H GLU 32 H GLU 32 -3.226 14.698 21.397 221 HA GLU 32 HA GLU 32 -4.265 16.462 20.425 222 1HB GLU 32 1HB GLU 32 -2.425 18.125 22.171 223 2HB GLU 32 2HB GLU 32 -4.099 18.463 21.692 224 1HG GLU 32 1HG GLU 32 -4.838 16.475 23.038 225 2HG GLU 32 2HG GLU 32 -3.174 16.259 23.592 226 H ASP 33 H ASP 33 -1.927 15.637 18.812 227 HA ASP 33 HA ASP 33 -1.425 18.152 17.310 228 1HB ASP 33 1HB ASP 33 0.260 18.200 19.067 229 2HB ASP 33 2HB ASP 33 0.709 16.520 18.748 230 H ASP 34 H ASP 34 -0.541 14.695 17.600 231 HA ASP 34 HA ASP 34 -0.136 13.067 16.126 232 1HB ASP 34 1HB ASP 34 -2.182 13.666 14.903 233 2HB ASP 34 2HB ASP 34 -1.266 14.834 13.928 234 H GLU 35 H GLU 35 2.012 13.638 16.807 235 HA GLU 35 HA GLU 35 3.751 15.144 15.015 236 1HB GLU 35 1HB GLU 35 5.548 14.372 16.508 237 2HB GLU 35 2HB GLU 35 4.272 15.265 17.327 238 1HG GLU 35 1HG GLU 35 4.234 12.217 17.320 239 2HG GLU 35 2HG GLU 35 5.283 13.115 18.417 240 H GLU 36 H GLU 36 2.640 13.573 13.341 241 HA GLU 36 HA GLU 36 2.840 11.825 11.842 242 1HB GLU 36 1HB GLU 36 5.625 13.002 11.727 243 2HB GLU 36 2HB GLU 36 4.671 12.344 10.407 244 1HG GLU 36 1HG GLU 36 4.213 14.942 11.955 245 2HG GLU 36 2HG GLU 36 4.733 14.771 10.282 246 HA PRO 37 HA PRO 37 5.270 8.752 14.310 247 1HB PRO 37 1HB PRO 37 3.302 6.962 14.942 248 2HB PRO 37 2HB PRO 37 3.447 8.540 15.753 249 1HG PRO 37 1HG PRO 37 1.676 7.850 13.383 250 2HG PRO 37 2HG PRO 37 1.172 8.569 14.944 251 1HD PRO 37 1HD PRO 37 1.714 10.104 12.768 252 2HD PRO 37 2HD PRO 37 2.192 10.642 14.410 253 H ASN 38 H ASN 38 5.531 8.984 11.549 254 HA ASN 38 HA ASN 38 4.325 7.089 9.891 255 1HB ASN 38 1HB ASN 38 7.217 7.936 9.477 256 2HB ASN 38 2HB ASN 38 5.991 7.554 8.273 257 1HD2 ASN 38 2HD2 ASN 38 4.044 9.183 8.260 258 2HD2 ASN 38 1HD2 ASN 38 4.506 10.877 8.513 259 H VAL 39 H VAL 39 7.534 6.804 11.410 260 HA VAL 39 HA VAL 39 8.101 4.228 10.431 261 HB VAL 39 HB VAL 39 9.265 5.726 12.807 262 1HG1 VAL 39 1HG1 VAL 39 10.319 3.247 11.379 263 2HG1 VAL 39 2HG1 VAL 39 11.184 4.194 12.602 264 3HG1 VAL 39 3HG1 VAL 39 9.732 3.298 13.057 265 1HG2 VAL 39 1HG2 VAL 39 10.206 5.356 9.936 266 2HG2 VAL 39 2HG2 VAL 39 9.572 6.858 10.639 267 3HG2 VAL 39 3HG2 VAL 39 11.098 6.187 11.225 268 HA PRO 40 HA PRO 40 6.685 2.209 14.503 269 1HB PRO 40 1HB PRO 40 4.950 3.562 16.192 270 2HB PRO 40 2HB PRO 40 6.723 3.471 16.387 271 1HG PRO 40 1HG PRO 40 5.115 5.663 15.087 272 2HG PRO 40 2HG PRO 40 6.433 5.841 16.278 273 1HD PRO 40 1HD PRO 40 6.924 6.182 13.661 274 2HD PRO 40 2HD PRO 40 8.073 5.251 14.663 275 H CYS 41 H CYS 41 4.414 4.526 12.915 276 HA CYS 41 HA CYS 41 2.145 2.753 13.086 277 1HB CYS 41 1HB CYS 41 2.055 5.248 12.940 278 2HB CYS 41 2HB CYS 41 2.642 5.115 11.274 279 H LEU 42 H LEU 42 4.158 1.171 12.078 280 HA LEU 42 HA LEU 42 4.496 -0.485 10.626 281 1HB LEU 42 1HB LEU 42 1.752 0.263 9.553 282 2HB LEU 42 2HB LEU 42 2.648 -1.194 9.176 283 HG LEU 42 HG LEU 42 1.002 -1.750 10.738 284 1HD1 LEU 42 1HD1 LEU 42 3.231 -2.847 11.006 285 2HD1 LEU 42 2HD1 LEU 42 3.603 -1.702 12.317 286 3HD1 LEU 42 3HD1 LEU 42 2.252 -2.832 12.484 287 1HD2 LEU 42 1HD2 LEU 42 0.670 0.519 11.767 288 2HD2 LEU 42 2HD2 LEU 42 0.638 -0.848 12.894 289 3HD2 LEU 42 3HD2 LEU 42 2.069 0.181 12.820 290 H VAL 43 H VAL 43 3.295 2.288 8.659 291 HA VAL 43 HA VAL 43 4.488 1.088 6.288 292 HB VAL 43 HB VAL 43 3.658 3.257 5.216 293 1HG1 VAL 43 1HG1 VAL 43 1.719 1.303 6.516 294 2HG1 VAL 43 2HG1 VAL 43 1.355 2.370 5.144 295 3HG1 VAL 43 3HG1 VAL 43 2.560 1.084 4.967 296 1HG2 VAL 43 1HG2 VAL 43 3.337 4.510 7.444 297 2HG2 VAL 43 2HG2 VAL 43 1.945 4.486 6.333 298 3HG2 VAL 43 3HG2 VAL 43 1.951 3.436 7.734 299 H ARG 44 H ARG 44 6.663 0.982 7.241 300 HA ARG 44 HA ARG 44 8.325 3.351 7.195 301 1HB ARG 44 1HB ARG 44 8.845 0.370 6.953 302 2HB ARG 44 2HB ARG 44 10.118 1.518 6.560 303 1HG ARG 44 1HG ARG 44 10.471 0.923 8.806 304 2HG ARG 44 2HG ARG 44 9.917 2.596 8.763 305 1HD ARG 44 1HD ARG 44 8.899 1.466 10.608 306 2HD ARG 44 2HD ARG 44 7.615 1.802 9.431 307 HE ARG 44 HE ARG 44 8.537 -0.762 8.833 308 1HH1 ARG 44 1HH1 ARG 44 7.048 0.877 11.599 309 2HH1 ARG 44 2HH1 ARG 44 6.429 -0.588 12.313 310 1HH2 ARG 44 1HH2 ARG 44 7.628 -2.665 9.694 311 2HH2 ARG 44 2HH2 ARG 44 6.719 -2.632 11.181 312 H VAL 45 H VAL 45 6.657 1.856 4.643 313 HA VAL 45 HA VAL 45 8.603 1.973 2.573 314 HB VAL 45 HB VAL 45 6.624 1.561 1.096 315 1HG1 VAL 45 1HG1 VAL 45 7.938 -0.261 2.088 316 2HG1 VAL 45 2HG1 VAL 45 6.897 -0.251 3.528 317 3HG1 VAL 45 3HG1 VAL 45 6.227 -0.697 1.946 318 1HG2 VAL 45 1HG2 VAL 45 4.863 2.725 2.520 319 2HG2 VAL 45 2HG2 VAL 45 4.456 1.081 2.014 320 3HG2 VAL 45 3HG2 VAL 45 4.990 1.382 3.670 321 H CYS 46 H CYS 46 9.250 4.268 3.228 322 HA CYS 46 HA CYS 46 7.752 6.496 2.198 323 1HB CYS 46 1HB CYS 46 9.553 6.492 3.999 324 2HB CYS 46 2HB CYS 46 10.730 6.277 2.700 325 H HIS 47 H HIS 47 7.554 4.892 0.071 326 HA HIS 47 HA HIS 47 9.778 5.550 -1.825 327 1HB HIS 47 1HB HIS 47 9.118 3.579 -3.056 328 2HB HIS 47 2HB HIS 47 9.607 3.219 -1.402 329 HD1 HIS 47 HD1 HIS 47 5.984 4.270 -2.185 330 HD2 HIS 47 HD2 HIS 47 8.332 0.861 -1.471 331 HE1 HIS 47 HE1 HIS 47 4.374 2.313 -2.017 332 H GLN 48 H GLN 48 9.397 6.612 -3.569 333 HA GLN 48 HA GLN 48 7.653 8.287 -4.536 334 1HB GLN 48 1HB GLN 48 8.034 7.328 -6.852 335 2HB GLN 48 2HB GLN 48 9.463 7.741 -5.914 336 1HG GLN 48 1HG GLN 48 8.393 4.877 -6.048 337 2HG GLN 48 2HG GLN 48 9.459 5.561 -7.275 338 1HE2 GLN 48 2HE2 GLN 48 10.523 3.420 -6.275 339 2HE2 GLN 48 1HE2 GLN 48 11.732 3.787 -5.057 340 H ASP 49 H ASP 49 5.407 8.370 -4.271 341 HA ASP 49 HA ASP 49 3.702 6.455 -5.586 342 1HB ASP 49 1HB ASP 49 4.551 5.063 -3.658 343 2HB ASP 49 2HB ASP 49 3.942 6.295 -2.556 344 H CYS 50 H CYS 50 1.348 6.722 -4.537 345 HA CYS 50 HA CYS 50 0.630 9.403 -5.062 346 1HB CYS 50 1HB CYS 50 -0.669 7.221 -5.541 347 2HB CYS 50 2HB CYS 50 -1.192 7.304 -3.855 348 H VAL 51 H VAL 51 1.125 11.006 -3.578 349 HA VAL 51 HA VAL 51 0.736 10.526 -0.679 350 HB VAL 51 HB VAL 51 2.097 12.693 -2.281 351 1HG1 VAL 51 1HG1 VAL 51 1.768 12.613 0.742 352 2HG1 VAL 51 2HG1 VAL 51 2.828 13.704 -0.162 353 3HG1 VAL 51 3HG1 VAL 51 1.082 13.828 -0.361 354 1HG2 VAL 51 1HG2 VAL 51 3.090 10.634 -0.240 355 2HG2 VAL 51 2HG2 VAL 51 3.375 10.568 -1.989 356 3HG2 VAL 51 3HG2 VAL 51 4.113 11.849 -1.010 357 H CYS 52 H CYS 52 -1.041 11.215 0.314 358 HA CYS 52 HA CYS 52 -3.248 12.560 -0.877 359 1HB CYS 52 1HB CYS 52 -3.729 11.185 0.863 360 2HB CYS 52 2HB CYS 52 -2.523 11.855 1.938 361 H GLU 53 H GLU 53 -3.916 14.621 -1.074 362 HA GLU 53 HA GLU 53 -2.037 16.769 -0.483 363 1HB GLU 53 1HB GLU 53 -4.973 16.789 -1.310 364 2HB GLU 53 2HB GLU 53 -3.928 18.214 -1.224 365 1HG GLU 53 1HG GLU 53 -3.429 15.807 -3.065 366 2HG GLU 53 2HG GLU 53 -4.163 17.334 -3.544 367 H GLU 54 H GLU 54 -1.784 17.752 1.375 368 HA GLU 54 HA GLU 54 -2.692 16.748 3.754 369 1HB GLU 54 1HB GLU 54 -1.688 19.603 3.393 370 2HB GLU 54 2HB GLU 54 -1.617 18.594 4.836 371 1HG GLU 54 1HG GLU 54 0.514 18.249 4.137 372 2HG GLU 54 2HG GLU 54 -0.232 16.959 3.191 373 H GLY 55 H GLY 55 -4.620 18.792 1.825 374 1HA GLY 55 1HA GLY 55 -6.223 20.113 3.815 375 2HA GLY 55 2HA GLY 55 -6.713 19.656 2.171 376 H PHE 56 H PHE 56 -6.127 16.793 2.427 377 HA PHE 56 HA PHE 56 -8.493 15.985 4.048 378 1HB PHE 56 1HB PHE 56 -6.824 14.396 2.122 379 2HB PHE 56 2HB PHE 56 -8.390 13.942 2.761 380 HD1 PHE 56 HD1 PHE 56 -10.438 15.315 1.953 381 HD2 PHE 56 HD2 PHE 56 -6.543 15.515 0.113 382 HE1 PHE 56 HE1 PHE 56 -11.470 16.049 -0.180 383 HE2 PHE 56 HE2 PHE 56 -7.556 16.325 -1.966 384 HZ PHE 56 HZ PHE 56 -10.038 16.579 -2.142 385 H TYR 57 H TYR 57 -8.134 13.723 5.042 386 HA TYR 57 HA TYR 57 -5.435 13.280 6.159 387 1HB TYR 57 1HB TYR 57 -8.051 13.247 7.730 388 2HB TYR 57 2HB TYR 57 -6.409 12.863 8.316 389 HD1 TYR 57 HD1 TYR 57 -4.735 14.515 8.626 390 HD2 TYR 57 HD2 TYR 57 -8.750 15.611 7.550 391 HE1 TYR 57 HE1 TYR 57 -4.009 16.913 8.297 392 HE2 TYR 57 HE2 TYR 57 -8.039 17.973 7.244 393 HH TYR 57 HH TYR 57 -5.014 18.808 6.557 394 H ARG 58 H ARG 58 -5.000 11.098 6.446 395 HA ARG 58 HA ARG 58 -6.422 9.354 4.673 396 1HB ARG 58 1HB ARG 58 -4.489 8.367 6.757 397 2HB ARG 58 2HB ARG 58 -4.882 7.701 5.174 398 1HG ARG 58 1HG ARG 58 -3.884 9.858 4.178 399 2HG ARG 58 2HG ARG 58 -3.232 10.184 5.800 400 1HD ARG 58 1HD ARG 58 -2.542 8.025 3.823 401 2HD ARG 58 2HD ARG 58 -1.466 9.088 4.740 402 HE ARG 58 HE ARG 58 -2.696 7.536 6.674 403 1HH1 ARG 58 1HH1 ARG 58 -0.618 6.837 3.865 404 2HH1 ARG 58 2HH1 ARG 58 -0.435 5.156 4.306 405 1HH2 ARG 58 1HH2 ARG 58 -2.690 5.246 6.947 406 2HH2 ARG 58 2HH2 ARG 58 -1.461 4.308 6.166 407 H ASN 59 H ASN 59 -8.558 8.728 5.178 408 HA ASN 59 HA ASN 59 -9.502 8.052 7.756 409 1HB ASN 59 1HB ASN 59 -10.774 8.277 5.469 410 2HB ASN 59 2HB ASN 59 -10.386 6.572 5.265 411 1HD2 ASN 59 2HD2 ASN 59 -11.965 5.181 6.102 412 2HD2 ASN 59 1HD2 ASN 59 -13.109 5.670 7.356 413 H LYS 60 H LYS 60 -7.633 6.237 5.434 414 HA LYS 60 HA LYS 60 -6.707 4.499 7.579 415 1HB LYS 60 1HB LYS 60 -6.923 2.407 6.287 416 2HB LYS 60 2HB LYS 60 -8.428 3.090 6.905 417 1HG LYS 60 1HG LYS 60 -8.959 3.966 4.616 418 2HG LYS 60 2HG LYS 60 -7.472 3.204 4.011 419 1HD LYS 60 1HD LYS 60 -9.266 1.763 3.468 420 2HD LYS 60 2HD LYS 60 -8.304 0.986 4.732 421 1HE LYS 60 1HE LYS 60 -9.997 1.599 6.431 422 2HE LYS 60 2HE LYS 60 -10.904 2.528 5.221 423 1HZ LYS 60 1HZ LYS 60 -11.274 0.486 4.041 424 2HZ LYS 60 2HZ LYS 60 -10.418 -0.365 5.165 425 3HZ LYS 60 3HZ LYS 60 -11.827 0.373 5.589 426 H ASP 61 H ASP 61 -6.496 4.969 4.065 427 HA ASP 61 HA ASP 61 -3.630 5.591 4.248 428 1HB ASP 61 1HB ASP 61 -4.775 3.080 2.959 429 2HB ASP 61 2HB ASP 61 -3.247 3.796 2.418 430 H ASP 62 H ASP 62 -5.424 4.272 1.588 431 HA ASP 62 HA ASP 62 -4.751 6.484 -0.144 432 1HB ASP 62 1HB ASP 62 -5.897 5.230 -1.862 433 2HB ASP 62 2HB ASP 62 -4.840 4.144 -0.953 434 H LYS 63 H LYS 63 -7.527 5.395 1.738 435 HA LYS 63 HA LYS 63 -9.412 7.150 0.517 436 1HB LYS 63 1HB LYS 63 -9.544 5.795 3.231 437 2HB LYS 63 2HB LYS 63 -10.902 6.476 2.329 438 1HG LYS 63 1HG LYS 63 -9.240 4.019 1.614 439 2HG LYS 63 2HG LYS 63 -10.924 4.080 2.131 440 1HD LYS 63 1HD LYS 63 -11.495 5.352 0.038 441 2HD LYS 63 2HD LYS 63 -9.808 5.168 -0.494 442 1HE LYS 63 1HE LYS 63 -10.055 2.678 -0.321 443 2HE LYS 63 2HE LYS 63 -11.776 2.906 0.052 444 1HZ LYS 63 1HZ LYS 63 -11.997 4.006 -2.071 445 2HZ LYS 63 2HZ LYS 63 -10.397 3.764 -2.395 446 3HZ LYS 63 3HZ LYS 63 -11.414 2.475 -2.256 447 H CYS 64 H CYS 64 -7.862 9.062 0.613 448 HA CYS 64 HA CYS 64 -7.708 10.366 3.219 449 1HB CYS 64 1HB CYS 64 -6.244 10.724 0.865 450 2HB CYS 64 2HB CYS 64 -7.218 12.177 0.999 451 H VAL 65 H VAL 65 -9.257 11.513 4.155 452 HA VAL 65 HA VAL 65 -11.537 12.564 2.528 453 HB VAL 65 HB VAL 65 -13.017 11.798 4.302 454 1HG1 VAL 65 1HG1 VAL 65 -12.633 10.326 2.366 455 2HG1 VAL 65 2HG1 VAL 65 -11.355 9.478 3.261 456 3HG1 VAL 65 3HG1 VAL 65 -13.029 9.421 3.839 457 1HG2 VAL 65 1HG2 VAL 65 -10.532 10.484 5.526 458 2HG2 VAL 65 2HG2 VAL 65 -11.460 11.801 6.239 459 3HG2 VAL 65 3HG2 VAL 65 -12.197 10.207 6.059 460 H SER 66 H SER 66 -12.826 14.191 3.869 461 HA SER 66 HA SER 66 -11.015 16.184 4.933 462 1HB SER 66 1HB SER 66 -13.118 16.832 3.858 463 2HB SER 66 2HB SER 66 -14.047 15.932 5.086 464 HG SER 66 HG SER 66 -13.797 18.263 5.451 465 H ALA 67 H ALA 67 -10.994 16.996 7.089 466 HA ALA 67 HA ALA 67 -10.896 15.180 9.296 467 1HB ALA 67 1HB ALA 67 -11.380 18.191 9.211 468 2HB ALA 67 2HB ALA 67 -10.975 17.234 10.648 469 3HB ALA 67 3HB ALA 67 -9.800 17.380 9.325 470 H GLU 68 H GLU 68 -13.421 17.109 7.786 471 HA GLU 68 HA GLU 68 -15.510 16.903 9.694 472 1HB GLU 68 1HB GLU 68 -15.651 16.976 6.653 473 2HB GLU 68 2HB GLU 68 -16.950 17.413 7.769 474 1HG GLU 68 1HG GLU 68 -15.699 19.324 8.607 475 2HG GLU 68 2HG GLU 68 -14.245 18.880 7.713 476 H ASP 69 H ASP 69 -14.300 14.636 7.207 477 HA ASP 69 HA ASP 69 -16.515 12.757 7.504 478 1HB ASP 69 1HB ASP 69 -15.074 12.917 5.416 479 2HB ASP 69 2HB ASP 69 -13.744 12.227 6.369 480 H CYS 70 H CYS 70 -13.069 12.963 8.503 481 HA CYS 70 HA CYS 70 -12.751 10.661 9.970 482 1HB CYS 70 1HB CYS 70 -11.769 13.411 10.841 483 2HB CYS 70 2HB CYS 70 -11.136 11.863 11.379 484 H GLU 71 H GLU 71 -14.045 13.728 11.220 485 HA GLU 71 HA GLU 71 -14.634 13.047 13.856 486 1HB GLU 71 1HB GLU 71 -16.058 14.867 11.886 487 2HB GLU 71 2HB GLU 71 -16.448 14.826 13.610 488 1HG GLU 71 1HG GLU 71 -14.334 15.666 14.260 489 2HG GLU 71 2HG GLU 71 -13.578 15.301 12.714 490 H LEU 72 H LEU 72 -16.516 12.215 10.959 491 HA LEU 72 HA LEU 72 -18.750 11.135 12.587 492 1HB LEU 72 1HB LEU 72 -18.276 11.136 9.582 493 2HB LEU 72 2HB LEU 72 -19.750 10.616 10.403 494 HG LEU 72 HG LEU 72 -18.619 13.456 10.486 495 1HD1 LEU 72 1HD1 LEU 72 -19.376 12.816 8.233 496 2HD1 LEU 72 2HD1 LEU 72 -20.944 12.300 8.896 497 3HD1 LEU 72 3HD1 LEU 72 -20.464 14.010 8.961 498 1HD2 LEU 72 1HD2 LEU 72 -21.261 12.300 11.481 499 2HD2 LEU 72 2HD2 LEU 72 -19.973 13.014 12.479 500 3HD2 LEU 72 3HD2 LEU 72 -20.886 14.031 11.363 501 H ASP 73 H ASP 73 -16.233 10.013 10.342 502 HA ASP 73 HA ASP 73 -16.822 7.292 10.234 503 1HB ASP 73 1HB ASP 73 -15.205 8.400 8.760 504 2HB ASP 73 2HB ASP 73 -14.128 8.714 10.122 505 H ASN 74 H ASN 74 -14.660 9.003 12.554 506 HA ASN 74 HA ASN 74 -14.832 6.686 14.417 507 1HB ASN 74 1HB ASN 74 -12.999 6.103 12.949 508 2HB ASN 74 2HB ASN 74 -12.289 7.714 13.117 509 1HD2 ASN 74 2HD2 ASN 74 -10.321 6.655 13.853 510 2HD2 ASN 74 1HD2 ASN 74 -10.223 5.997 15.486 511 H MET 75 H MET 75 -15.855 7.946 15.915 512 HA MET 75 HA MET 75 -14.884 10.547 16.769 513 1HB MET 75 1HB MET 75 -16.933 8.612 17.922 514 2HB MET 75 2HB MET 75 -16.621 10.242 18.547 515 1HG MET 75 1HG MET 75 -17.239 11.249 16.437 516 2HG MET 75 2HG MET 75 -17.477 9.663 15.684 517 1HE MET 75 1HE MET 75 -19.542 11.930 15.399 518 2HE MET 75 2HE MET 75 -19.784 10.289 14.750 519 3HE MET 75 3HE MET 75 -21.065 11.063 15.711 520 H ASP 76 H ASP 76 -12.643 9.321 16.868 521 HA ASP 76 HA ASP 76 -12.074 7.850 19.317 522 1HB ASP 76 1HB ASP 76 -10.837 7.442 17.262 523 2HB ASP 76 2HB ASP 76 -10.310 9.129 17.199 524 H PHE 77 H PHE 77 -13.230 9.590 20.552 525 HA PHE 77 HA PHE 77 -13.203 11.077 22.228 526 1HB PHE 77 1HB PHE 77 -10.209 11.416 21.824 527 2HB PHE 77 2HB PHE 77 -11.167 12.035 23.151 528 HD1 PHE 77 HD1 PHE 77 -12.178 10.513 24.845 529 HD2 PHE 77 HD2 PHE 77 -9.650 9.013 21.690 530 HE1 PHE 77 HE1 PHE 77 -12.004 8.333 26.013 531 HE2 PHE 77 HE2 PHE 77 -9.539 6.816 22.822 532 HZ PHE 77 HZ PHE 77 -10.695 6.475 25.001 533 H ILE 78 H ILE 78 -11.134 12.245 19.567 534 HA ILE 78 HA ILE 78 -11.269 13.960 18.217 535 HB ILE 78 HB ILE 78 -13.912 13.327 18.546 536 1HG1 ILE 78 1HG1 ILE 78 -14.261 14.911 16.554 537 2HG1 ILE 78 2HG1 ILE 78 -12.537 15.280 16.689 538 1HG2 ILE 78 1HG2 ILE 78 -14.208 15.341 20.143 539 2HG2 ILE 78 2HG2 ILE 78 -14.012 16.347 18.695 540 3HG2 ILE 78 3HG2 ILE 78 -15.312 15.161 18.776 541 1HD1 ILE 78 1HD1 ILE 78 -12.156 12.721 16.547 542 2HD1 ILE 78 2HD1 ILE 78 -13.873 12.603 16.130 543 3HD1 ILE 78 3HD1 ILE 78 -12.766 13.517 15.085 544 H TYR 79 H TYR 79 -11.944 16.487 18.232 545 HA TYR 79 HA TYR 79 -9.872 17.778 19.320 546 1HB TYR 79 1HB TYR 79 -12.619 18.971 18.935 547 2HB TYR 79 2HB TYR 79 -11.092 19.839 18.890 548 HD1 TYR 79 HD1 TYR 79 -9.560 17.663 17.169 549 HD2 TYR 79 HD2 TYR 79 -13.390 19.619 16.765 550 HE1 TYR 79 HE1 TYR 79 -9.626 17.047 14.798 551 HE2 TYR 79 HE2 TYR 79 -13.336 19.182 14.334 552 HH TYR 79 HH TYR 79 -12.236 18.010 12.614 553 HA PRO 80 HA PRO 80 -10.766 17.961 23.814 554 1HB PRO 80 1HB PRO 80 -8.166 19.512 23.502 555 2HB PRO 80 2HB PRO 80 -8.637 18.373 24.795 556 1HG PRO 80 1HG PRO 80 -6.995 17.556 22.819 557 2HG PRO 80 2HG PRO 80 -8.369 16.510 23.316 558 1HD PRO 80 1HD PRO 80 -8.225 18.410 20.950 559 2HD PRO 80 2HD PRO 80 -8.774 16.705 20.998 560 H GLY 81 H GLY 81 -9.538 20.505 21.666 561 1HA GLY 81 1HA GLY 81 -11.577 22.440 22.685 562 2HA GLY 81 2HA GLY 81 -9.875 22.923 22.585 563 H THR 82 H THR 82 -8.895 22.003 20.277 564 HA THR 82 HA THR 82 -10.780 22.574 18.057 565 HB THR 82 HB THR 82 -9.167 24.242 17.143 566 HG1 THR 82 HG1 THR 82 -7.769 23.502 19.455 567 1HG2 THR 82 1HG2 THR 82 -11.050 25.054 18.573 568 2HG2 THR 82 2HG2 THR 82 -9.935 25.084 19.959 569 3HG2 THR 82 3HG2 THR 82 -9.623 26.110 18.554 570 H ARG 83 H ARG 83 -8.719 22.562 16.075 571 HA ARG 83 HA ARG 83 -7.676 19.806 16.211 572 1HB ARG 83 1HB ARG 83 -7.472 22.034 14.130 573 2HB ARG 83 2HB ARG 83 -6.769 20.414 13.958 574 1HG ARG 83 1HG ARG 83 -8.922 19.370 14.157 575 2HG ARG 83 2HG ARG 83 -9.745 20.903 14.467 576 1HD ARG 83 1HD ARG 83 -10.131 20.228 12.155 577 2HD ARG 83 2HD ARG 83 -9.161 21.700 12.212 578 HE ARG 83 HE ARG 83 -7.465 20.618 11.157 579 1HH1 ARG 83 1HH1 ARG 83 -9.611 18.111 12.521 580 2HH1 ARG 83 2HH1 ARG 83 -8.624 16.796 11.993 581 1HH2 ARG 83 1HH2 ARG 83 -6.353 18.929 10.211 582 2HH2 ARG 83 2HH2 ARG 83 -6.830 17.278 10.454 583 H ASN 84 H ASN 84 -6.833 20.912 18.348 584 HA ASN 84 HA ASN 84 -4.147 21.134 18.706 585 1HB ASN 84 1HB ASN 84 -3.661 23.088 17.552 586 2HB ASN 84 2HB ASN 84 -5.337 23.633 17.521 587 1HD2 ASN 84 2HD2 ASN 84 -6.257 24.802 19.284 588 2HD2 ASN 84 1HD2 ASN 84 -5.208 25.524 20.506 589 HA PRO 85 HA PRO 85 -6.150 21.322 22.764 590 1HB PRO 85 1HB PRO 85 -4.237 22.589 24.327 591 2HB PRO 85 2HB PRO 85 -4.171 20.878 23.830 592 1HG PRO 85 1HG PRO 85 -2.815 23.232 22.488 593 2HG PRO 85 2HG PRO 85 -2.088 21.665 22.956 594 1HD PRO 85 1HD PRO 85 -2.875 22.055 20.427 595 2HD PRO 85 2HD PRO 85 -3.276 20.523 21.224 Start of MODEL 7 1 1H LYS 1 1H LYS 1 -9.387 16.795 -10.332 2 2H LYS 1 2H LYS 1 -10.731 15.854 -10.098 3 3H LYS 1 3H LYS 1 -10.187 16.859 -8.903 4 HA LYS 1 HA LYS 1 -9.602 14.686 -8.337 5 1HB LYS 1 1HB LYS 1 -8.185 13.318 -9.747 6 2HB LYS 1 2HB LYS 1 -9.674 13.746 -10.598 7 1HG LYS 1 1HG LYS 1 -8.367 15.590 -11.773 8 2HG LYS 1 2HG LYS 1 -6.896 14.948 -11.029 9 1HD LYS 1 1HD LYS 1 -8.767 13.472 -12.940 10 2HD LYS 1 2HD LYS 1 -7.167 14.136 -13.313 11 1HE LYS 1 1HE LYS 1 -6.180 12.580 -11.579 12 2HE LYS 1 2HE LYS 1 -7.777 11.821 -11.418 13 1HZ LYS 1 1HZ LYS 1 -7.683 11.276 -13.733 14 2HZ LYS 1 2HZ LYS 1 -6.196 11.974 -13.880 15 3HZ LYS 1 3HZ LYS 1 -6.392 10.644 -12.927 16 H ALA 2 H ALA 2 -7.473 14.100 -7.436 17 HA ALA 2 HA ALA 2 -5.994 16.436 -6.620 18 1HB ALA 2 1HB ALA 2 -5.530 13.465 -6.110 19 2HB ALA 2 2HB ALA 2 -4.693 14.785 -5.279 20 3HB ALA 2 3HB ALA 2 -6.441 14.591 -5.079 21 H THR 3 H THR 3 -5.583 16.776 -9.117 22 HA THR 3 HA THR 3 -4.211 16.812 -10.915 23 HB THR 3 HB THR 3 -1.883 17.294 -10.480 24 HG1 THR 3 HG1 THR 3 -2.403 16.040 -8.007 25 1HG2 THR 3 1HG2 THR 3 -3.570 19.023 -9.870 26 2HG2 THR 3 2HG2 THR 3 -3.569 18.417 -8.197 27 3HG2 THR 3 3HG2 THR 3 -2.095 19.112 -8.888 28 H MET 4 H MET 4 -1.535 15.039 -9.815 29 HA MET 4 HA MET 4 -2.071 12.768 -11.616 30 1HB MET 4 1HB MET 4 0.211 13.265 -9.663 31 2HB MET 4 2HB MET 4 0.129 12.014 -10.908 32 1HG MET 4 1HG MET 4 1.504 13.619 -11.857 33 2HG MET 4 2HG MET 4 -0.058 13.919 -12.613 34 1HE MET 4 1HE MET 4 2.604 15.092 -9.979 35 2HE MET 4 2HE MET 4 1.937 16.647 -9.432 36 3HE MET 4 3HE MET 4 1.159 15.135 -8.939 37 H GLN 5 H GLN 5 -4.149 12.536 -10.174 38 HA GLN 5 HA GLN 5 -3.928 11.705 -7.518 39 1HB GLN 5 1HB GLN 5 -5.960 12.543 -8.526 40 2HB GLN 5 2HB GLN 5 -6.148 11.068 -9.491 41 1HG GLN 5 1HG GLN 5 -6.494 9.714 -7.540 42 2HG GLN 5 2HG GLN 5 -5.999 11.020 -6.449 43 1HE2 GLN 5 2HE2 GLN 5 -8.674 9.385 -6.958 44 2HE2 GLN 5 1HE2 GLN 5 -9.857 10.684 -6.948 45 H CYS 6 H CYS 6 -2.826 9.887 -6.733 46 HA CYS 6 HA CYS 6 -2.221 7.619 -8.392 47 1HB CYS 6 1HB CYS 6 -1.392 6.611 -6.316 48 2HB CYS 6 2HB CYS 6 -0.883 8.288 -6.486 49 H GLY 7 H GLY 7 -4.868 8.335 -6.134 50 1HA GLY 7 1HA GLY 7 -6.445 6.073 -7.027 51 2HA GLY 7 2HA GLY 7 -5.694 5.780 -5.448 52 H GLU 8 H GLU 8 -6.357 7.100 -3.620 53 HA GLU 8 HA GLU 8 -9.114 8.155 -4.065 54 1HB GLU 8 1HB GLU 8 -7.932 7.131 -1.504 55 2HB GLU 8 2HB GLU 8 -9.628 7.387 -1.932 56 1HG GLU 8 1HG GLU 8 -7.782 5.274 -3.180 57 2HG GLU 8 2HG GLU 8 -8.984 4.971 -1.953 58 H ASN 9 H ASN 9 -7.940 10.093 -4.813 59 HA ASN 9 HA ASN 9 -7.611 12.303 -4.585 60 1HB ASN 9 1HB ASN 9 -9.744 11.949 -3.233 61 2HB ASN 9 2HB ASN 9 -8.751 12.084 -1.775 62 1HD2 ASN 9 2HD2 ASN 9 -9.277 14.091 -0.933 63 2HD2 ASN 9 1HD2 ASN 9 -9.406 15.562 -1.890 64 H GLU 10 H GLU 10 -5.365 10.782 -4.125 65 HA GLU 10 HA GLU 10 -3.768 12.679 -2.499 66 1HB GLU 10 1HB GLU 10 -3.317 9.667 -2.723 67 2HB GLU 10 2HB GLU 10 -2.199 10.843 -2.021 68 1HG GLU 10 1HG GLU 10 -4.122 11.434 -0.420 69 2HG GLU 10 2HG GLU 10 -4.937 9.981 -1.009 70 H LYS 11 H LYS 11 -1.898 13.345 -3.576 71 HA LYS 11 HA LYS 11 -2.004 12.897 -6.519 72 1HB LYS 11 1HB LYS 11 -0.766 14.931 -6.723 73 2HB LYS 11 2HB LYS 11 -2.239 15.225 -5.787 74 1HG LYS 11 1HG LYS 11 -0.991 15.314 -3.706 75 2HG LYS 11 2HG LYS 11 0.519 14.902 -4.510 76 1HD LYS 11 1HD LYS 11 -1.122 17.405 -5.072 77 2HD LYS 11 2HD LYS 11 0.301 17.320 -4.027 78 1HE LYS 11 1HE LYS 11 0.217 16.900 -7.052 79 2HE LYS 11 2HE LYS 11 0.942 18.235 -6.163 80 1HZ LYS 11 1HZ LYS 11 2.476 16.645 -5.192 81 2HZ LYS 11 2HZ LYS 11 1.859 15.438 -6.135 82 3HZ LYS 11 3HZ LYS 11 2.600 16.725 -6.831 83 H TYR 12 H TYR 12 -0.194 12.091 -7.630 84 HA TYR 12 HA TYR 12 1.792 10.601 -6.384 85 1HB TYR 12 1HB TYR 12 1.347 10.486 -8.780 86 2HB TYR 12 2HB TYR 12 2.027 12.102 -8.998 87 HD1 TYR 12 HD1 TYR 12 2.845 8.562 -8.246 88 HD2 TYR 12 HD2 TYR 12 4.434 12.528 -8.830 89 HE1 TYR 12 HE1 TYR 12 5.147 7.655 -8.183 90 HE2 TYR 12 HE2 TYR 12 6.726 11.638 -8.669 91 HH TYR 12 HH TYR 12 8.010 9.803 -8.215 92 H ASP 13 H ASP 13 3.558 11.095 -5.192 93 HA ASP 13 HA ASP 13 5.332 13.202 -5.668 94 1HB ASP 13 1HB ASP 13 3.631 14.681 -4.566 95 2HB ASP 13 2HB ASP 13 3.575 13.525 -3.221 96 H SER 14 H SER 14 7.245 12.686 -4.519 97 HA SER 14 HA SER 14 7.373 10.024 -3.758 98 1HB SER 14 1HB SER 14 9.511 12.120 -3.322 99 2HB SER 14 2HB SER 14 9.718 10.387 -3.652 100 HG SER 14 HG SER 14 9.973 11.725 -5.538 101 H CYS 15 H CYS 15 5.731 10.105 -1.926 102 HA CYS 15 HA CYS 15 7.399 9.671 0.356 103 1HB CYS 15 1HB CYS 15 6.098 12.166 0.481 104 2HB CYS 15 2HB CYS 15 5.235 11.147 1.637 105 H GLY 16 H GLY 16 5.946 7.976 -1.343 106 1HA GLY 16 1HA GLY 16 4.781 5.992 -1.110 107 2HA GLY 16 2HA GLY 16 5.543 5.937 0.480 108 H SER 17 H SER 17 2.699 7.628 -1.003 109 HA SER 17 HA SER 17 0.537 7.627 -0.387 110 1HB SER 17 1HB SER 17 1.018 5.423 1.646 111 2HB SER 17 2HB SER 17 -0.466 5.861 0.799 112 HG SER 17 HG SER 17 0.773 5.267 -1.184 113 H LYS 18 H LYS 18 2.199 9.474 0.611 114 HA LYS 18 HA LYS 18 2.789 10.922 2.266 115 1HB LYS 18 1HB LYS 18 0.128 11.040 2.139 116 2HB LYS 18 2HB LYS 18 0.209 10.284 3.721 117 1HG LYS 18 1HG LYS 18 1.718 12.194 4.465 118 2HG LYS 18 2HG LYS 18 1.477 12.928 2.878 119 1HD LYS 18 1HD LYS 18 -0.982 12.969 3.313 120 2HD LYS 18 2HD LYS 18 -0.710 12.292 4.921 121 1HE LYS 18 1HE LYS 18 0.627 14.283 5.542 122 2HE LYS 18 2HE LYS 18 0.463 14.928 3.898 123 1HZ LYS 18 1HZ LYS 18 -1.770 14.461 5.746 124 2HZ LYS 18 2HZ LYS 18 -1.084 15.917 5.398 125 3HZ LYS 18 3HZ LYS 18 -1.885 15.081 4.231 126 H GLU 19 H GLU 19 3.622 8.111 2.654 127 HA GLU 19 HA GLU 19 4.006 6.478 4.096 128 1HB GLU 19 1HB GLU 19 5.540 6.982 5.884 129 2HB GLU 19 2HB GLU 19 5.969 7.789 4.383 130 1HG GLU 19 1HG GLU 19 5.140 9.934 5.249 131 2HG GLU 19 2HG GLU 19 4.511 9.138 6.704 132 H CYS 20 H CYS 20 1.357 7.255 4.282 133 HA CYS 20 HA CYS 20 -0.484 7.408 5.538 134 1HB CYS 20 1HB CYS 20 0.270 4.964 5.695 135 2HB CYS 20 2HB CYS 20 0.819 5.379 7.321 136 H ASP 21 H ASP 21 1.370 9.370 6.185 137 HA ASP 21 HA ASP 21 2.085 9.646 8.846 138 1HB ASP 21 1HB ASP 21 3.153 10.951 7.079 139 2HB ASP 21 2HB ASP 21 1.654 11.772 6.704 140 H LYS 22 H LYS 22 -0.315 11.897 7.410 141 HA LYS 22 HA LYS 22 -1.707 12.054 9.984 142 1HB LYS 22 1HB LYS 22 -2.390 13.371 7.335 143 2HB LYS 22 2HB LYS 22 -3.138 13.641 8.911 144 1HG LYS 22 1HG LYS 22 -0.543 14.075 9.600 145 2HG LYS 22 2HG LYS 22 -0.481 14.584 7.913 146 1HD LYS 22 1HD LYS 22 -2.347 15.605 10.111 147 2HD LYS 22 2HD LYS 22 -0.980 16.474 9.405 148 1HE LYS 22 1HE LYS 22 -2.149 16.545 7.212 149 2HE LYS 22 2HE LYS 22 -3.525 15.665 7.898 150 1HZ LYS 22 1HZ LYS 22 -3.798 17.470 9.454 151 2HZ LYS 22 2HZ LYS 22 -2.588 18.314 8.715 152 3HZ LYS 22 3HZ LYS 22 -3.966 17.938 7.880 153 H LYS 23 H LYS 23 -1.933 9.558 9.731 154 HA LYS 23 HA LYS 23 -4.253 8.710 8.197 155 1HB LYS 23 1HB LYS 23 -4.178 6.692 9.430 156 2HB LYS 23 2HB LYS 23 -2.522 7.186 9.108 157 1HG LYS 23 1HG LYS 23 -2.397 6.418 11.265 158 2HG LYS 23 2HG LYS 23 -2.509 8.163 11.522 159 1HD LYS 23 1HD LYS 23 -4.877 7.944 12.111 160 2HD LYS 23 2HD LYS 23 -4.916 6.256 11.589 161 1HE LYS 23 1HE LYS 23 -3.401 5.654 13.451 162 2HE LYS 23 2HE LYS 23 -3.296 7.358 13.923 163 1HZ LYS 23 1HZ LYS 23 -5.721 7.287 14.198 164 2HZ LYS 23 2HZ LYS 23 -5.683 5.659 13.978 165 3HZ LYS 23 3HZ LYS 23 -4.895 6.343 15.262 166 H CYS 24 H CYS 24 -6.493 8.456 9.118 167 HA CYS 24 HA CYS 24 -7.322 10.708 10.565 168 1HB CYS 24 1HB CYS 24 -8.802 9.422 9.196 169 2HB CYS 24 2HB CYS 24 -8.654 8.008 10.253 170 H LYS 25 H LYS 25 -6.150 11.067 12.457 171 HA LYS 25 HA LYS 25 -6.160 9.260 14.746 172 1HB LYS 25 1HB LYS 25 -5.567 12.198 14.283 173 2HB LYS 25 2HB LYS 25 -5.924 11.649 15.909 174 1HG LYS 25 1HG LYS 25 -3.548 11.667 15.634 175 2HG LYS 25 2HG LYS 25 -4.192 10.069 15.981 176 1HD LYS 25 1HD LYS 25 -2.598 9.574 14.436 177 2HD LYS 25 2HD LYS 25 -4.026 9.663 13.402 178 1HE LYS 25 1HE LYS 25 -1.879 11.816 13.816 179 2HE LYS 25 2HE LYS 25 -2.049 10.757 12.404 180 1HZ LYS 25 1HZ LYS 25 -4.138 11.739 11.950 181 2HZ LYS 25 2HZ LYS 25 -3.994 12.769 13.242 182 3HZ LYS 25 3HZ LYS 25 -2.949 12.883 11.973 183 H TYR 26 H TYR 26 -8.384 8.568 14.323 184 HA TYR 26 HA TYR 26 -10.686 9.857 14.174 185 1HB TYR 26 1HB TYR 26 -10.178 7.522 16.057 186 2HB TYR 26 2HB TYR 26 -11.759 8.015 15.494 187 HD1 TYR 26 HD1 TYR 26 -12.296 7.972 13.009 188 HD2 TYR 26 HD2 TYR 26 -8.794 6.095 14.688 189 HE1 TYR 26 HE1 TYR 26 -11.870 6.832 10.859 190 HE2 TYR 26 HE2 TYR 26 -8.399 4.925 12.549 191 HH TYR 26 HH TYR 26 -10.184 5.794 9.623 192 H ASP 27 H ASP 27 -9.145 9.331 17.378 193 HA ASP 27 HA ASP 27 -9.455 10.344 19.380 194 1HB ASP 27 1HB ASP 27 -8.583 12.202 17.754 195 2HB ASP 27 2HB ASP 27 -10.213 12.876 17.890 196 H GLY 28 H GLY 28 -11.455 12.640 19.906 197 1HA GLY 28 1HA GLY 28 -13.671 12.915 20.403 198 2HA GLY 28 2HA GLY 28 -13.974 12.003 18.928 199 H VAL 29 H VAL 29 -14.394 9.834 19.040 200 HA VAL 29 HA VAL 29 -15.507 8.789 21.596 201 HB VAL 29 HB VAL 29 -15.663 7.672 18.763 202 1HG1 VAL 29 1HG1 VAL 29 -17.081 6.845 21.330 203 2HG1 VAL 29 2HG1 VAL 29 -17.475 6.252 19.702 204 3HG1 VAL 29 3HG1 VAL 29 -15.902 5.878 20.416 205 1HG2 VAL 29 1HG2 VAL 29 -17.728 9.171 20.440 206 2HG2 VAL 29 2HG2 VAL 29 -16.908 9.819 19.006 207 3HG2 VAL 29 3HG2 VAL 29 -18.014 8.449 18.843 208 H GLU 30 H GLU 30 -12.881 8.303 19.283 209 HA GLU 30 HA GLU 30 -11.778 5.900 20.534 210 1HB GLU 30 1HB GLU 30 -11.365 6.511 18.137 211 2HB GLU 30 2HB GLU 30 -10.566 7.982 18.695 212 1HG GLU 30 1HG GLU 30 -8.950 6.420 19.990 213 2HG GLU 30 2HG GLU 30 -9.634 5.114 19.017 214 H GLU 31 H GLU 31 -12.093 6.783 22.718 215 HA GLU 31 HA GLU 31 -10.719 8.926 23.875 216 1HB GLU 31 1HB GLU 31 -10.943 6.131 25.085 217 2HB GLU 31 2HB GLU 31 -10.725 7.656 25.952 218 1HG GLU 31 1HG GLU 31 -13.210 6.746 24.425 219 2HG GLU 31 2HG GLU 31 -13.026 6.943 26.163 220 H GLU 32 H GLU 32 -9.447 5.890 22.680 221 HA GLU 32 HA GLU 32 -6.737 6.184 23.684 222 1HB GLU 32 1HB GLU 32 -7.818 4.485 21.383 223 2HB GLU 32 2HB GLU 32 -6.258 4.339 22.182 224 1HG GLU 32 1HG GLU 32 -7.591 2.611 23.088 225 2HG GLU 32 2HG GLU 32 -7.466 3.838 24.353 226 H ASP 33 H ASP 33 -7.059 8.610 22.882 227 HA ASP 33 HA ASP 33 -6.648 9.159 20.087 228 1HB ASP 33 1HB ASP 33 -7.621 10.832 21.556 229 2HB ASP 33 2HB ASP 33 -6.171 10.843 22.575 230 H ASP 34 H ASP 34 -4.984 7.696 19.567 231 HA ASP 34 HA ASP 34 -2.459 7.485 20.649 232 1HB ASP 34 1HB ASP 34 -1.700 6.635 18.514 233 2HB ASP 34 2HB ASP 34 -3.336 6.051 18.845 234 H GLU 35 H GLU 35 -3.597 10.137 18.635 235 HA GLU 35 HA GLU 35 -2.763 12.086 17.960 236 1HB GLU 35 1HB GLU 35 -0.667 11.703 20.136 237 2HB GLU 35 2HB GLU 35 -0.919 13.172 19.189 238 1HG GLU 35 1HG GLU 35 -3.269 13.301 19.999 239 2HG GLU 35 2HG GLU 35 -2.978 11.878 21.012 240 H GLU 36 H GLU 36 0.125 10.012 18.481 241 HA GLU 36 HA GLU 36 1.839 11.333 16.797 242 1HB GLU 36 1HB GLU 36 1.736 8.343 17.332 243 2HB GLU 36 2HB GLU 36 3.115 9.227 16.656 244 1HG GLU 36 1HG GLU 36 3.204 10.622 18.742 245 2HG GLU 36 2HG GLU 36 1.930 9.609 19.445 246 HA PRO 37 HA PRO 37 0.129 10.004 12.749 247 1HB PRO 37 1HB PRO 37 1.531 11.664 11.137 248 2HB PRO 37 2HB PRO 37 0.190 12.257 12.161 249 1HG PRO 37 1HG PRO 37 3.172 12.354 12.723 250 2HG PRO 37 2HG PRO 37 1.998 13.696 12.859 251 1HD PRO 37 1HD PRO 37 2.797 12.151 14.985 252 2HD PRO 37 2HD PRO 37 1.148 12.846 14.893 253 H ASN 38 H ASN 38 1.140 8.974 10.871 254 HA ASN 38 HA ASN 38 2.412 7.386 9.932 255 1HB ASN 38 1HB ASN 38 4.143 9.016 9.575 256 2HB ASN 38 2HB ASN 38 4.721 8.871 11.235 257 1HD2 ASN 38 2HD2 ASN 38 4.094 6.716 8.354 258 2HD2 ASN 38 1HD2 ASN 38 5.528 5.753 8.658 259 H VAL 39 H VAL 39 3.969 7.718 13.115 260 HA VAL 39 HA VAL 39 4.970 5.306 13.636 261 HB VAL 39 HB VAL 39 3.410 7.046 15.576 262 1HG1 VAL 39 1HG1 VAL 39 5.365 4.775 16.140 263 2HG1 VAL 39 2HG1 VAL 39 4.793 5.952 17.339 264 3HG1 VAL 39 3HG1 VAL 39 3.650 4.828 16.604 265 1HG2 VAL 39 1HG2 VAL 39 6.381 6.833 14.928 266 2HG2 VAL 39 2HG2 VAL 39 5.321 8.192 14.502 267 3HG2 VAL 39 3HG2 VAL 39 5.665 7.846 16.196 268 HA PRO 40 HA PRO 40 0.946 3.069 15.080 269 1HB PRO 40 1HB PRO 40 -1.462 4.030 14.058 270 2HB PRO 40 2HB PRO 40 -0.805 4.412 15.671 271 1HG PRO 40 1HG PRO 40 -0.547 6.100 13.151 272 2HG PRO 40 2HG PRO 40 -1.017 6.627 14.785 273 1HD PRO 40 1HD PRO 40 1.472 6.956 13.964 274 2HD PRO 40 2HD PRO 40 1.183 6.343 15.610 275 H CYS 41 H CYS 41 0.526 4.743 11.933 276 HA CYS 41 HA CYS 41 -0.088 2.172 10.551 277 1HB CYS 41 1HB CYS 41 -1.596 4.196 10.335 278 2HB CYS 41 2HB CYS 41 -0.231 5.051 9.622 279 H LEU 42 H LEU 42 2.354 1.986 11.327 280 HA LEU 42 HA LEU 42 4.298 3.591 10.046 281 1HB LEU 42 1HB LEU 42 5.948 1.884 10.973 282 2HB LEU 42 2HB LEU 42 4.965 2.850 12.043 283 HG LEU 42 HG LEU 42 3.486 0.984 12.550 284 1HD1 LEU 42 1HD1 LEU 42 5.220 -0.688 10.677 285 2HD1 LEU 42 2HD1 LEU 42 3.940 -1.295 11.744 286 3HD1 LEU 42 3HD1 LEU 42 3.520 -0.242 10.388 287 1HD2 LEU 42 1HD2 LEU 42 5.540 1.292 13.852 288 2HD2 LEU 42 2HD2 LEU 42 5.090 -0.420 13.740 289 3HD2 LEU 42 3HD2 LEU 42 6.417 0.214 12.743 290 H VAL 43 H VAL 43 3.196 3.131 7.777 291 HA VAL 43 HA VAL 43 4.499 0.993 6.277 292 HB VAL 43 HB VAL 43 4.007 2.435 4.248 293 1HG1 VAL 43 1HG1 VAL 43 2.457 0.663 5.077 294 2HG1 VAL 43 2HG1 VAL 43 1.666 1.853 6.134 295 3HG1 VAL 43 3HG1 VAL 43 1.576 2.027 4.369 296 1HG2 VAL 43 1HG2 VAL 43 2.593 4.245 6.233 297 2HG2 VAL 43 2HG2 VAL 43 4.013 4.638 5.244 298 3HG2 VAL 43 3HG2 VAL 43 2.468 4.298 4.465 299 H ARG 44 H ARG 44 5.204 4.407 6.902 300 HA ARG 44 HA ARG 44 7.068 5.558 7.218 301 1HB ARG 44 1HB ARG 44 7.616 3.464 8.583 302 2HB ARG 44 2HB ARG 44 8.639 2.965 7.234 303 1HG ARG 44 1HG ARG 44 10.041 3.989 8.839 304 2HG ARG 44 2HG ARG 44 9.930 5.134 7.497 305 1HD ARG 44 1HD ARG 44 8.317 6.504 8.784 306 2HD ARG 44 2HD ARG 44 8.283 5.275 10.071 307 HE ARG 44 HE ARG 44 10.963 6.130 9.612 308 1HH1 ARG 44 1HH1 ARG 44 7.900 7.319 10.974 309 2HH1 ARG 44 2HH1 ARG 44 8.675 8.435 12.063 310 1HH2 ARG 44 1HH2 ARG 44 11.964 7.586 11.046 311 2HH2 ARG 44 2HH2 ARG 44 11.015 8.589 12.109 312 H VAL 45 H VAL 45 7.670 3.057 4.751 313 HA VAL 45 HA VAL 45 9.886 4.272 3.578 314 HB VAL 45 HB VAL 45 9.439 2.752 1.656 315 1HG1 VAL 45 1HG1 VAL 45 10.767 2.084 3.622 316 2HG1 VAL 45 2HG1 VAL 45 9.298 1.501 4.432 317 3HG1 VAL 45 3HG1 VAL 45 9.868 0.716 2.948 318 1HG2 VAL 45 1HG2 VAL 45 6.920 2.620 1.748 319 2HG2 VAL 45 2HG2 VAL 45 7.715 1.049 1.800 320 3HG2 VAL 45 3HG2 VAL 45 7.051 1.746 3.280 321 H CYS 46 H CYS 46 9.229 6.543 3.519 322 HA CYS 46 HA CYS 46 7.632 7.521 1.359 323 1HB CYS 46 1HB CYS 46 9.922 8.748 2.904 324 2HB CYS 46 2HB CYS 46 9.255 9.507 1.467 325 H HIS 47 H HIS 47 8.234 5.882 -0.142 326 HA HIS 47 HA HIS 47 10.688 6.411 -1.728 327 1HB HIS 47 1HB HIS 47 10.130 4.464 -2.987 328 2HB HIS 47 2HB HIS 47 10.133 4.085 -1.271 329 HD1 HIS 47 HD1 HIS 47 7.175 4.456 -0.371 330 HD2 HIS 47 HD2 HIS 47 8.316 3.191 -4.225 331 HE1 HIS 47 HE1 HIS 47 5.050 3.731 -1.584 332 H GLN 48 H GLN 48 8.157 5.562 -3.665 333 HA GLN 48 HA GLN 48 7.884 8.243 -4.851 334 1HB GLN 48 1HB GLN 48 7.196 5.470 -5.903 335 2HB GLN 48 2HB GLN 48 7.019 7.012 -6.770 336 1HG GLN 48 1HG GLN 48 9.528 7.353 -6.359 337 2HG GLN 48 2HG GLN 48 9.552 5.684 -5.754 338 1HE2 GLN 48 2HE2 GLN 48 8.155 7.468 -8.614 339 2HE2 GLN 48 1HE2 GLN 48 8.719 6.275 -9.779 340 H ASP 49 H ASP 49 5.414 6.197 -5.674 341 HA ASP 49 HA ASP 49 3.264 6.597 -5.832 342 1HB ASP 49 1HB ASP 49 3.608 4.867 -4.042 343 2HB ASP 49 2HB ASP 49 3.355 6.130 -2.835 344 H CYS 50 H CYS 50 1.749 7.734 -3.235 345 HA CYS 50 HA CYS 50 1.923 10.538 -4.156 346 1HB CYS 50 1HB CYS 50 -0.626 10.444 -3.702 347 2HB CYS 50 2HB CYS 50 0.015 9.567 -5.071 348 H VAL 51 H VAL 51 0.687 12.038 -2.799 349 HA VAL 51 HA VAL 51 0.750 11.492 0.081 350 HB VAL 51 HB VAL 51 1.746 13.612 0.633 351 1HG1 VAL 51 1HG1 VAL 51 3.306 11.742 0.237 352 2HG1 VAL 51 2HG1 VAL 51 3.543 12.270 -1.427 353 3HG1 VAL 51 3HG1 VAL 51 4.036 13.323 -0.089 354 1HG2 VAL 51 1HG2 VAL 51 1.706 14.195 -2.339 355 2HG2 VAL 51 2HG2 VAL 51 0.992 15.119 -1.016 356 3HG2 VAL 51 3HG2 VAL 51 2.744 15.080 -1.194 357 H CYS 52 H CYS 52 -0.697 13.099 1.215 358 HA CYS 52 HA CYS 52 -3.091 13.511 -0.410 359 1HB CYS 52 1HB CYS 52 -2.664 14.421 2.454 360 2HB CYS 52 2HB CYS 52 -4.154 14.279 1.533 361 H GLU 53 H GLU 53 -4.158 15.512 -0.685 362 HA GLU 53 HA GLU 53 -2.362 17.853 -0.961 363 1HB GLU 53 1HB GLU 53 -5.294 17.515 -1.711 364 2HB GLU 53 2HB GLU 53 -4.244 18.879 -2.119 365 1HG GLU 53 1HG GLU 53 -2.713 17.252 -3.312 366 2HG GLU 53 2HG GLU 53 -3.947 16.001 -3.091 367 H GLU 54 H GLU 54 -3.282 19.919 -0.228 368 HA GLU 54 HA GLU 54 -3.531 21.267 1.639 369 1HB GLU 54 1HB GLU 54 -6.255 20.188 0.910 370 2HB GLU 54 2HB GLU 54 -5.963 21.723 1.742 371 1HG GLU 54 1HG GLU 54 -4.695 22.539 -0.239 372 2HG GLU 54 2HG GLU 54 -5.040 21.019 -1.087 373 H GLY 55 H GLY 55 -2.554 19.080 2.898 374 1HA GLY 55 1HA GLY 55 -2.434 18.037 4.927 375 2HA GLY 55 2HA GLY 55 -3.251 19.477 5.554 376 H PHE 56 H PHE 56 -4.719 17.109 3.266 377 HA PHE 56 HA PHE 56 -6.953 16.642 5.033 378 1HB PHE 56 1HB PHE 56 -5.912 14.956 2.755 379 2HB PHE 56 2HB PHE 56 -7.523 14.855 3.445 380 HD1 PHE 56 HD1 PHE 56 -7.605 18.183 3.427 381 HD2 PHE 56 HD2 PHE 56 -6.822 15.082 0.517 382 HE1 PHE 56 HE1 PHE 56 -8.636 19.559 1.659 383 HE2 PHE 56 HE2 PHE 56 -7.574 16.575 -1.266 384 HZ PHE 56 HZ PHE 56 -8.571 18.804 -0.707 385 H TYR 57 H TYR 57 -7.592 14.526 5.960 386 HA TYR 57 HA TYR 57 -5.263 12.964 6.953 387 1HB TYR 57 1HB TYR 57 -8.100 13.233 8.010 388 2HB TYR 57 2HB TYR 57 -6.891 12.119 8.630 389 HD1 TYR 57 HD1 TYR 57 -7.535 15.763 8.059 390 HD2 TYR 57 HD2 TYR 57 -5.207 12.818 10.152 391 HE1 TYR 57 HE1 TYR 57 -6.788 17.517 9.584 392 HE2 TYR 57 HE2 TYR 57 -4.385 14.626 11.707 393 HH TYR 57 HH TYR 57 -5.471 17.997 11.473 394 H ARG 58 H ARG 58 -5.299 10.747 6.720 395 HA ARG 58 HA ARG 58 -6.850 9.692 4.457 396 1HB ARG 58 1HB ARG 58 -5.138 7.998 6.283 397 2HB ARG 58 2HB ARG 58 -5.547 7.780 4.584 398 1HG ARG 58 1HG ARG 58 -4.168 9.859 4.070 399 2HG ARG 58 2HG ARG 58 -3.683 9.900 5.774 400 1HD ARG 58 1HD ARG 58 -1.959 8.798 4.565 401 2HD ARG 58 2HD ARG 58 -2.816 7.568 5.525 402 HE ARG 58 HE ARG 58 -3.466 8.083 2.642 403 1HH1 ARG 58 1HH1 ARG 58 -2.222 5.705 5.040 404 2HH1 ARG 58 2HH1 ARG 58 -2.023 4.481 3.833 405 1HH2 ARG 58 1HH2 ARG 58 -3.219 6.423 1.148 406 2HH2 ARG 58 2HH2 ARG 58 -2.631 4.858 1.641 407 H ASN 59 H ASN 59 -8.998 9.390 4.892 408 HA ASN 59 HA ASN 59 -10.068 9.365 7.437 409 1HB ASN 59 1HB ASN 59 -12.169 9.090 6.535 410 2HB ASN 59 2HB ASN 59 -11.228 10.025 5.381 411 1HD2 ASN 59 2HD2 ASN 59 -13.568 8.943 4.566 412 2HD2 ASN 59 1HD2 ASN 59 -13.292 7.567 3.502 413 H LYS 60 H LYS 60 -9.565 6.517 5.407 414 HA LYS 60 HA LYS 60 -9.047 4.841 7.733 415 1HB LYS 60 1HB LYS 60 -10.789 3.241 7.424 416 2HB LYS 60 2HB LYS 60 -11.514 4.831 7.682 417 1HG LYS 60 1HG LYS 60 -11.729 4.933 5.076 418 2HG LYS 60 2HG LYS 60 -11.378 3.200 5.126 419 1HD LYS 60 1HD LYS 60 -13.761 4.658 6.328 420 2HD LYS 60 2HD LYS 60 -13.731 3.525 4.991 421 1HE LYS 60 1HE LYS 60 -14.634 2.317 6.774 422 2HE LYS 60 2HE LYS 60 -12.968 1.727 6.679 423 1HZ LYS 60 1HZ LYS 60 -13.852 3.867 8.503 424 2HZ LYS 60 2HZ LYS 60 -13.874 2.275 8.922 425 3HZ LYS 60 3HZ LYS 60 -12.447 3.021 8.566 426 H ASP 61 H ASP 61 -9.708 4.919 4.223 427 HA ASP 61 HA ASP 61 -7.503 2.941 3.749 428 1HB ASP 61 1HB ASP 61 -9.637 1.728 3.791 429 2HB ASP 61 2HB ASP 61 -10.359 2.935 2.703 430 H ASP 62 H ASP 62 -6.245 4.730 3.051 431 HA ASP 62 HA ASP 62 -5.453 6.406 1.848 432 1HB ASP 62 1HB ASP 62 -5.249 4.482 0.270 433 2HB ASP 62 2HB ASP 62 -6.767 4.970 -0.489 434 H LYS 63 H LYS 63 -9.007 6.301 1.584 435 HA LYS 63 HA LYS 63 -9.316 8.536 -0.026 436 1HB LYS 63 1HB LYS 63 -11.297 8.496 2.120 437 2HB LYS 63 2HB LYS 63 -11.486 8.515 0.399 438 1HG LYS 63 1HG LYS 63 -10.950 6.006 2.071 439 2HG LYS 63 2HG LYS 63 -12.507 6.573 1.494 440 1HD LYS 63 1HD LYS 63 -11.749 6.412 -0.873 441 2HD LYS 63 2HD LYS 63 -10.201 5.773 -0.296 442 1HE LYS 63 1HE LYS 63 -11.490 3.900 0.844 443 2HE LYS 63 2HE LYS 63 -12.951 4.505 0.037 444 1HZ LYS 63 1HZ LYS 63 -11.750 4.174 -2.061 445 2HZ LYS 63 2HZ LYS 63 -10.507 3.486 -1.225 446 3HZ LYS 63 3HZ LYS 63 -11.989 2.770 -1.219 447 H CYS 64 H CYS 64 -8.024 10.307 0.275 448 HA CYS 64 HA CYS 64 -7.781 11.406 3.010 449 1HB CYS 64 1HB CYS 64 -5.930 11.117 1.040 450 2HB CYS 64 2HB CYS 64 -6.300 12.824 0.911 451 H VAL 65 H VAL 65 -9.346 12.737 3.671 452 HA VAL 65 HA VAL 65 -10.418 14.828 1.839 453 HB VAL 65 HB VAL 65 -12.762 13.909 2.637 454 1HG1 VAL 65 1HG1 VAL 65 -12.028 14.116 0.286 455 2HG1 VAL 65 2HG1 VAL 65 -11.281 12.505 0.386 456 3HG1 VAL 65 3HG1 VAL 65 -13.030 12.685 0.586 457 1HG2 VAL 65 1HG2 VAL 65 -11.638 12.040 4.024 458 2HG2 VAL 65 2HG2 VAL 65 -12.918 11.533 2.886 459 3HG2 VAL 65 3HG2 VAL 65 -11.225 11.277 2.482 460 H SER 66 H SER 66 -9.406 16.251 3.244 461 HA SER 66 HA SER 66 -9.070 17.536 5.136 462 1HB SER 66 1HB SER 66 -11.220 18.364 4.266 463 2HB SER 66 2HB SER 66 -12.098 17.192 5.260 464 HG SER 66 HG SER 66 -11.940 19.351 6.146 465 H ALA 67 H ALA 67 -10.409 17.644 7.522 466 HA ALA 67 HA ALA 67 -9.701 15.151 9.018 467 1HB ALA 67 1HB ALA 67 -8.982 17.426 9.842 468 2HB ALA 67 2HB ALA 67 -10.689 17.858 9.998 469 3HB ALA 67 3HB ALA 67 -10.017 16.533 10.979 470 H GLU 68 H GLU 68 -12.293 17.166 7.862 471 HA GLU 68 HA GLU 68 -14.328 16.583 9.687 472 1HB GLU 68 1HB GLU 68 -14.471 17.396 6.754 473 2HB GLU 68 2HB GLU 68 -15.767 17.597 7.943 474 1HG GLU 68 1HG GLU 68 -14.498 19.203 9.211 475 2HG GLU 68 2HG GLU 68 -12.991 18.885 8.365 476 H ASP 69 H ASP 69 -13.661 15.074 6.460 477 HA ASP 69 HA ASP 69 -15.768 13.130 6.769 478 1HB ASP 69 1HB ASP 69 -14.791 13.729 4.561 479 2HB ASP 69 2HB ASP 69 -13.288 12.948 5.069 480 H CYS 70 H CYS 70 -12.333 13.242 7.742 481 HA CYS 70 HA CYS 70 -12.085 10.518 8.574 482 1HB CYS 70 1HB CYS 70 -10.047 11.461 8.554 483 2HB CYS 70 2HB CYS 70 -10.605 13.038 9.033 484 H GLU 71 H GLU 71 -13.384 13.393 10.319 485 HA GLU 71 HA GLU 71 -14.010 11.955 12.717 486 1HB GLU 71 1HB GLU 71 -15.403 14.377 11.514 487 2HB GLU 71 2HB GLU 71 -15.660 13.728 13.140 488 1HG GLU 71 1HG GLU 71 -13.347 14.144 13.760 489 2HG GLU 71 2HG GLU 71 -12.974 14.746 12.135 490 H LEU 72 H LEU 72 -16.017 12.556 9.771 491 HA LEU 72 HA LEU 72 -18.357 11.251 10.824 492 1HB LEU 72 1HB LEU 72 -17.453 11.703 7.958 493 2HB LEU 72 2HB LEU 72 -19.054 11.121 8.415 494 HG LEU 72 HG LEU 72 -17.920 13.799 9.347 495 1HD1 LEU 72 1HD1 LEU 72 -18.095 13.755 6.886 496 2HD1 LEU 72 2HD1 LEU 72 -19.774 13.188 7.006 497 3HD1 LEU 72 3HD1 LEU 72 -19.331 14.806 7.594 498 1HD2 LEU 72 1HD2 LEU 72 -20.757 12.666 9.316 499 2HD2 LEU 72 2HD2 LEU 72 -19.770 12.968 10.759 500 3HD2 LEU 72 3HD2 LEU 72 -20.313 14.323 9.772 501 H ASP 73 H ASP 73 -15.972 10.198 8.533 502 HA ASP 73 HA ASP 73 -15.745 8.215 7.418 503 1HB ASP 73 1HB ASP 73 -13.817 8.877 8.713 504 2HB ASP 73 2HB ASP 73 -14.350 7.946 10.108 505 H ASN 74 H ASN 74 -15.772 6.566 10.544 506 HA ASN 74 HA ASN 74 -17.019 4.339 9.154 507 1HB ASN 74 1HB ASN 74 -15.015 4.287 10.752 508 2HB ASN 74 2HB ASN 74 -16.187 4.334 12.065 509 1HD2 ASN 74 2HD2 ASN 74 -18.023 2.591 11.769 510 2HD2 ASN 74 1HD2 ASN 74 -17.461 0.998 11.245 511 H MET 75 H MET 75 -18.929 6.145 9.134 512 HA MET 75 HA MET 75 -21.153 6.292 9.283 513 1HB MET 75 1HB MET 75 -21.022 3.654 10.790 514 2HB MET 75 2HB MET 75 -22.461 4.373 10.070 515 1HG MET 75 1HG MET 75 -21.501 4.254 7.843 516 2HG MET 75 2HG MET 75 -19.978 3.617 8.465 517 1HE MET 75 1HE MET 75 -19.594 1.237 9.383 518 2HE MET 75 2HE MET 75 -20.878 1.400 10.608 519 3HE MET 75 3HE MET 75 -20.862 -0.002 9.521 520 H ASP 76 H ASP 76 -20.134 5.067 12.453 521 HA ASP 76 HA ASP 76 -22.009 6.034 14.176 522 1HB ASP 76 1HB ASP 76 -20.191 4.586 14.859 523 2HB ASP 76 2HB ASP 76 -18.987 5.824 14.465 524 H PHE 77 H PHE 77 -19.477 7.962 12.643 525 HA PHE 77 HA PHE 77 -18.934 10.102 12.643 526 1HB PHE 77 1HB PHE 77 -21.287 10.723 12.457 527 2HB PHE 77 2HB PHE 77 -21.459 10.690 14.212 528 HD1 PHE 77 HD1 PHE 77 -18.257 12.207 13.271 529 HD2 PHE 77 HD2 PHE 77 -22.503 12.940 13.648 530 HE1 PHE 77 HE1 PHE 77 -17.822 14.597 13.589 531 HE2 PHE 77 HE2 PHE 77 -22.039 15.354 13.953 532 HZ PHE 77 HZ PHE 77 -19.694 16.184 13.944 533 H ILE 78 H ILE 78 -17.076 9.973 13.711 534 HA ILE 78 HA ILE 78 -16.891 9.453 16.558 535 HB ILE 78 HB ILE 78 -14.766 10.259 14.518 536 1HG1 ILE 78 1HG1 ILE 78 -14.151 7.740 14.981 537 2HG1 ILE 78 2HG1 ILE 78 -15.838 7.557 15.450 538 1HG2 ILE 78 1HG2 ILE 78 -14.192 10.711 16.924 539 2HG2 ILE 78 2HG2 ILE 78 -14.526 8.995 17.266 540 3HG2 ILE 78 3HG2 ILE 78 -13.212 9.460 16.182 541 1HD1 ILE 78 1HD1 ILE 78 -14.842 8.559 12.736 542 2HD1 ILE 78 2HD1 ILE 78 -15.277 6.883 13.102 543 3HD1 ILE 78 3HD1 ILE 78 -16.525 8.126 13.136 544 H TYR 79 H TYR 79 -18.329 11.160 17.158 545 HA TYR 79 HA TYR 79 -18.214 13.821 16.758 546 1HB TYR 79 1HB TYR 79 -18.586 12.695 19.553 547 2HB TYR 79 2HB TYR 79 -19.289 14.157 18.878 548 HD1 TYR 79 HD1 TYR 79 -20.989 13.896 16.944 549 HD2 TYR 79 HD2 TYR 79 -19.670 10.616 19.413 550 HE1 TYR 79 HE1 TYR 79 -22.856 12.495 16.090 551 HE2 TYR 79 HE2 TYR 79 -21.433 9.167 18.415 552 HH TYR 79 HH TYR 79 -22.692 9.174 16.133 553 HA PRO 80 HA PRO 80 -14.056 14.676 18.487 554 1HB PRO 80 1HB PRO 80 -13.646 17.171 17.536 555 2HB PRO 80 2HB PRO 80 -13.777 15.775 16.431 556 1HG PRO 80 1HG PRO 80 -16.005 17.676 17.238 557 2HG PRO 80 2HG PRO 80 -15.465 17.305 15.579 558 1HD PRO 80 1HD PRO 80 -17.536 15.974 16.721 559 2HD PRO 80 2HD PRO 80 -16.356 15.091 15.702 560 H GLY 81 H GLY 81 -16.119 14.654 20.363 561 1HA GLY 81 1HA GLY 81 -16.627 17.282 21.519 562 2HA GLY 81 2HA GLY 81 -17.110 15.705 22.165 563 H THR 82 H THR 82 -14.587 14.437 22.301 564 HA THR 82 HA THR 82 -13.597 15.509 24.812 565 HB THR 82 HB THR 82 -12.165 13.451 24.650 566 HG1 THR 82 HG1 THR 82 -12.928 12.115 22.724 567 1HG2 THR 82 1HG2 THR 82 -14.548 13.299 25.505 568 2HG2 THR 82 2HG2 THR 82 -15.081 12.872 23.863 569 3HG2 THR 82 3HG2 THR 82 -13.977 11.807 24.736 570 H ARG 83 H ARG 83 -12.041 14.604 21.729 571 HA ARG 83 HA ARG 83 -10.953 17.230 21.380 572 1HB ARG 83 1HB ARG 83 -9.281 16.182 22.942 573 2HB ARG 83 2HB ARG 83 -9.044 14.889 21.782 574 1HG ARG 83 1HG ARG 83 -7.208 16.340 21.627 575 2HG ARG 83 2HG ARG 83 -8.112 16.612 20.151 576 1HD ARG 83 1HD ARG 83 -8.298 18.378 22.660 577 2HD ARG 83 2HD ARG 83 -7.169 18.649 21.346 578 HE ARG 83 HE ARG 83 -8.875 19.177 19.819 579 1HH1 ARG 83 1HH1 ARG 83 -10.252 18.802 23.093 580 2HH1 ARG 83 2HH1 ARG 83 -11.491 19.980 22.807 581 1HH2 ARG 83 1HH2 ARG 83 -10.562 20.447 19.412 582 2HH2 ARG 83 2HH2 ARG 83 -11.728 20.913 20.644 583 H ASN 84 H ASN 84 -10.018 17.523 19.282 584 HA ASN 84 HA ASN 84 -11.434 15.905 17.284 585 1HB ASN 84 1HB ASN 84 -10.945 17.787 15.760 586 2HB ASN 84 2HB ASN 84 -11.705 18.339 17.251 587 1HD2 ASN 84 2HD2 ASN 84 -8.524 18.225 15.485 588 2HD2 ASN 84 1HD2 ASN 84 -7.867 19.538 16.430 589 HA PRO 85 HA PRO 85 -7.759 13.961 15.525 590 1HB PRO 85 1HB PRO 85 -8.807 15.023 12.889 591 2HB PRO 85 2HB PRO 85 -8.221 13.378 13.263 592 1HG PRO 85 1HG PRO 85 -10.883 13.899 13.081 593 2HG PRO 85 2HG PRO 85 -10.272 12.847 14.383 594 1HD PRO 85 1HD PRO 85 -11.048 15.752 14.556 595 2HD PRO 85 2HD PRO 85 -11.373 14.406 15.692 Start of MODEL 8 1 1H LYS 1 1H LYS 1 0.049 18.555 -8.005 2 2H LYS 1 2H LYS 1 -0.769 19.309 -6.777 3 3H LYS 1 3H LYS 1 -0.021 17.858 -6.521 4 HA LYS 1 HA LYS 1 -2.309 17.475 -6.684 5 1HB LYS 1 1HB LYS 1 -3.538 18.012 -8.750 6 2HB LYS 1 2HB LYS 1 -2.966 19.450 -7.896 7 1HG LYS 1 1HG LYS 1 -1.093 19.692 -9.492 8 2HG LYS 1 2HG LYS 1 -1.597 18.216 -10.338 9 1HD LYS 1 1HD LYS 1 -3.783 19.272 -10.870 10 2HD LYS 1 2HD LYS 1 -3.260 20.757 -10.047 11 1HE LYS 1 1HE LYS 1 -1.362 20.972 -11.647 12 2HE LYS 1 2HE LYS 1 -1.878 19.483 -12.462 13 1HZ LYS 1 1HZ LYS 1 -3.455 21.950 -12.249 14 2HZ LYS 1 2HZ LYS 1 -2.652 21.425 -13.588 15 3HZ LYS 1 3HZ LYS 1 -3.933 20.568 -13.007 16 H ALA 2 H ALA 2 -3.012 15.525 -7.457 17 HA ALA 2 HA ALA 2 -1.752 13.432 -7.778 18 1HB ALA 2 1HB ALA 2 -4.062 14.133 -9.628 19 2HB ALA 2 2HB ALA 2 -3.471 12.480 -9.390 20 3HB ALA 2 3HB ALA 2 -4.131 13.394 -8.019 21 H THR 3 H THR 3 -2.534 14.659 -11.034 22 HA THR 3 HA THR 3 -1.504 14.594 -12.999 23 HB THR 3 HB THR 3 1.148 14.515 -11.494 24 HG1 THR 3 HG1 THR 3 -0.031 16.210 -10.726 25 1HG2 THR 3 1HG2 THR 3 0.360 15.601 -14.233 26 2HG2 THR 3 2HG2 THR 3 1.951 15.754 -13.465 27 3HG2 THR 3 3HG2 THR 3 1.352 14.155 -13.941 28 H MET 4 H MET 4 0.555 12.333 -11.064 29 HA MET 4 HA MET 4 0.734 10.529 -13.388 30 1HB MET 4 1HB MET 4 1.953 10.383 -10.606 31 2HB MET 4 2HB MET 4 2.288 9.272 -11.950 32 1HG MET 4 1HG MET 4 2.999 11.257 -13.332 33 2HG MET 4 2HG MET 4 2.889 12.258 -11.880 34 1HE MET 4 1HE MET 4 4.475 11.971 -9.779 35 2HE MET 4 2HE MET 4 4.107 10.231 -9.638 36 3HE MET 4 3HE MET 4 5.796 10.783 -9.699 37 H GLN 5 H GLN 5 -1.711 10.448 -13.187 38 HA GLN 5 HA GLN 5 -3.571 9.268 -12.962 39 1HB GLN 5 1HB GLN 5 -2.068 7.328 -13.582 40 2HB GLN 5 2HB GLN 5 -1.940 6.946 -11.862 41 1HG GLN 5 1HG GLN 5 -4.643 7.117 -12.022 42 2HG GLN 5 2HG GLN 5 -4.301 6.778 -13.716 43 1HE2 GLN 5 2HE2 GLN 5 -4.159 5.556 -10.366 44 2HE2 GLN 5 1HE2 GLN 5 -3.828 3.889 -10.818 45 H CYS 6 H CYS 6 -1.719 8.138 -10.060 46 HA CYS 6 HA CYS 6 -2.422 7.780 -7.952 47 1HB CYS 6 1HB CYS 6 -3.813 10.483 -8.187 48 2HB CYS 6 2HB CYS 6 -3.118 9.692 -6.768 49 H GLY 7 H GLY 7 -5.340 9.287 -7.378 50 1HA GLY 7 1HA GLY 7 -7.165 7.623 -8.808 51 2HA GLY 7 2HA GLY 7 -6.867 6.937 -7.198 52 H GLU 8 H GLU 8 -6.864 8.733 -5.405 53 HA GLU 8 HA GLU 8 -9.425 10.205 -5.577 54 1HB GLU 8 1HB GLU 8 -7.415 10.009 -3.281 55 2HB GLU 8 2HB GLU 8 -9.068 10.613 -3.190 56 1HG GLU 8 1HG GLU 8 -8.232 7.740 -3.819 57 2HG GLU 8 2HG GLU 8 -8.867 8.334 -2.293 58 H ASN 9 H ASN 9 -9.018 12.504 -4.233 59 HA ASN 9 HA ASN 9 -7.441 14.196 -5.988 60 1HB ASN 9 1HB ASN 9 -9.457 15.074 -4.936 61 2HB ASN 9 2HB ASN 9 -8.792 14.754 -3.321 62 1HD2 ASN 9 2HD2 ASN 9 -8.928 17.045 -2.746 63 2HD2 ASN 9 1HD2 ASN 9 -7.744 18.163 -3.427 64 H GLU 10 H GLU 10 -5.489 12.880 -5.740 65 HA GLU 10 HA GLU 10 -3.972 13.215 -3.202 66 1HB GLU 10 1HB GLU 10 -3.600 11.469 -5.632 67 2HB GLU 10 2HB GLU 10 -2.585 11.394 -4.180 68 1HG GLU 10 1HG GLU 10 -4.489 10.707 -2.813 69 2HG GLU 10 2HG GLU 10 -5.566 10.853 -4.195 70 H LYS 11 H LYS 11 -1.484 13.173 -3.743 71 HA LYS 11 HA LYS 11 -0.608 14.683 -6.063 72 1HB LYS 11 1HB LYS 11 0.566 16.381 -4.708 73 2HB LYS 11 2HB LYS 11 -1.194 16.465 -4.587 74 1HG LYS 11 1HG LYS 11 -0.549 16.828 -2.404 75 2HG LYS 11 2HG LYS 11 -0.959 15.110 -2.390 76 1HD LYS 11 1HD LYS 11 1.561 14.635 -2.576 77 2HD LYS 11 2HD LYS 11 1.823 16.374 -2.474 78 1HE LYS 11 1HE LYS 11 2.140 15.297 -0.311 79 2HE LYS 11 2HE LYS 11 0.739 16.372 -0.222 80 1HZ LYS 11 1HZ LYS 11 0.547 13.486 -0.734 81 2HZ LYS 11 2HZ LYS 11 0.472 14.129 0.776 82 3HZ LYS 11 3HZ LYS 11 -0.687 14.496 -0.331 83 H TYR 12 H TYR 12 1.755 14.481 -6.277 84 HA TYR 12 HA TYR 12 2.670 11.889 -5.430 85 1HB TYR 12 1HB TYR 12 3.313 12.880 -7.557 86 2HB TYR 12 2HB TYR 12 4.148 14.189 -6.721 87 HD1 TYR 12 HD1 TYR 12 4.067 10.409 -6.851 88 HD2 TYR 12 HD2 TYR 12 6.472 13.951 -6.326 89 HE1 TYR 12 HE1 TYR 12 6.119 9.045 -7.049 90 HE2 TYR 12 HE2 TYR 12 8.526 12.577 -6.526 91 HH TYR 12 HH TYR 12 8.440 9.094 -7.311 92 H ASP 13 H ASP 13 3.413 11.409 -3.421 93 HA ASP 13 HA ASP 13 4.703 13.522 -1.756 94 1HB ASP 13 1HB ASP 13 2.723 12.441 -0.739 95 2HB ASP 13 2HB ASP 13 3.442 10.848 -1.042 96 H SER 14 H SER 14 6.906 13.280 -1.464 97 HA SER 14 HA SER 14 8.321 11.124 -2.776 98 1HB SER 14 1HB SER 14 9.405 13.202 -0.841 99 2HB SER 14 2HB SER 14 10.277 12.343 -2.121 100 HG SER 14 HG SER 14 8.752 13.408 -3.602 101 H CYS 15 H CYS 15 6.613 9.888 -0.948 102 HA CYS 15 HA CYS 15 8.425 8.324 0.613 103 1HB CYS 15 1HB CYS 15 6.295 9.998 1.978 104 2HB CYS 15 2HB CYS 15 6.858 8.478 2.622 105 H GLY 16 H GLY 16 6.966 6.408 1.572 106 1HA GLY 16 1HA GLY 16 5.624 5.472 -0.792 107 2HA GLY 16 2HA GLY 16 6.040 4.590 0.668 108 H SER 17 H SER 17 4.161 3.480 0.613 109 HA SER 17 HA SER 17 1.689 4.005 0.034 110 1HB SER 17 1HB SER 17 2.488 2.147 2.285 111 2HB SER 17 2HB SER 17 1.247 1.910 1.037 112 HG SER 17 HG SER 17 3.207 0.809 0.517 113 H LYS 18 H LYS 18 1.664 6.337 1.183 114 HA LYS 18 HA LYS 18 0.252 7.695 2.239 115 1HB LYS 18 1HB LYS 18 -1.374 5.527 3.551 116 2HB LYS 18 2HB LYS 18 -1.851 7.095 2.916 117 1HG LYS 18 1HG LYS 18 -1.235 4.567 1.332 118 2HG LYS 18 2HG LYS 18 -2.802 5.289 1.676 119 1HD LYS 18 1HD LYS 18 -2.176 7.301 0.355 120 2HD LYS 18 2HD LYS 18 -0.620 6.551 -0.035 121 1HE LYS 18 1HE LYS 18 -1.616 4.788 -1.280 122 2HE LYS 18 2HE LYS 18 -3.248 5.189 -0.727 123 1HZ LYS 18 1HZ LYS 18 -1.573 6.915 -2.412 124 2HZ LYS 18 2HZ LYS 18 -2.817 5.972 -2.937 125 3HZ LYS 18 3HZ LYS 18 -3.111 7.237 -1.925 126 H GLU 19 H GLU 19 0.448 4.956 4.482 127 HA GLU 19 HA GLU 19 0.403 5.020 6.784 128 1HB GLU 19 1HB GLU 19 3.215 5.687 5.824 129 2HB GLU 19 2HB GLU 19 2.879 5.280 7.510 130 1HG GLU 19 1HG GLU 19 2.332 3.494 5.105 131 2HG GLU 19 2HG GLU 19 3.634 3.321 6.292 132 H CYS 20 H CYS 20 2.820 7.528 6.893 133 HA CYS 20 HA CYS 20 1.187 8.787 8.982 134 1HB CYS 20 1HB CYS 20 3.721 8.089 8.981 135 2HB CYS 20 2HB CYS 20 3.940 9.735 8.339 136 H ASP 21 H ASP 21 1.778 9.374 5.616 137 HA ASP 21 HA ASP 21 1.973 12.262 5.833 138 1HB ASP 21 1HB ASP 21 3.036 11.112 3.960 139 2HB ASP 21 2HB ASP 21 1.467 10.533 3.399 140 H LYS 22 H LYS 22 0.321 13.596 6.150 141 HA LYS 22 HA LYS 22 -1.761 14.235 6.784 142 1HB LYS 22 1HB LYS 22 -2.543 12.981 4.117 143 2HB LYS 22 2HB LYS 22 -3.456 14.205 4.990 144 1HG LYS 22 1HG LYS 22 -0.695 14.531 3.732 145 2HG LYS 22 2HG LYS 22 -2.215 15.176 3.134 146 1HD LYS 22 1HD LYS 22 -0.806 15.989 5.735 147 2HD LYS 22 2HD LYS 22 -0.890 16.921 4.250 148 1HE LYS 22 1HE LYS 22 -3.438 16.909 4.476 149 2HE LYS 22 2HE LYS 22 -3.234 16.195 6.077 150 1HZ LYS 22 1HZ LYS 22 -1.956 18.113 6.701 151 2HZ LYS 22 2HZ LYS 22 -2.175 18.789 5.212 152 3HZ LYS 22 3HZ LYS 22 -3.469 18.533 6.200 153 H LYS 23 H LYS 23 -1.024 11.927 8.038 154 HA LYS 23 HA LYS 23 -2.844 9.845 7.990 155 1HB LYS 23 1HB LYS 23 -2.131 9.273 10.155 156 2HB LYS 23 2HB LYS 23 -0.740 9.902 9.287 157 1HG LYS 23 1HG LYS 23 -2.361 11.249 11.487 158 2HG LYS 23 2HG LYS 23 -0.744 10.576 11.607 159 1HD LYS 23 1HD LYS 23 0.028 12.317 9.905 160 2HD LYS 23 2HD LYS 23 -1.561 13.084 10.097 161 1HE LYS 23 1HE LYS 23 0.615 12.682 12.196 162 2HE LYS 23 2HE LYS 23 -0.026 14.212 11.556 163 1HZ LYS 23 1HZ LYS 23 -2.179 13.463 12.542 164 2HZ LYS 23 2HZ LYS 23 -1.327 12.283 13.322 165 3HZ LYS 23 3HZ LYS 23 -1.009 13.869 13.628 166 H CYS 24 H CYS 24 -4.887 9.431 8.856 167 HA CYS 24 HA CYS 24 -6.433 11.752 9.800 168 1HB CYS 24 1HB CYS 24 -7.727 10.358 8.462 169 2HB CYS 24 2HB CYS 24 -7.177 8.891 9.282 170 H LYS 25 H LYS 25 -6.834 12.231 11.806 171 HA LYS 25 HA LYS 25 -5.068 11.562 13.800 172 1HB LYS 25 1HB LYS 25 -7.743 12.992 14.090 173 2HB LYS 25 2HB LYS 25 -6.333 13.147 15.135 174 1HG LYS 25 1HG LYS 25 -6.770 14.237 12.351 175 2HG LYS 25 2HG LYS 25 -6.221 15.040 13.817 176 1HD LYS 25 1HD LYS 25 -4.072 13.623 13.633 177 2HD LYS 25 2HD LYS 25 -4.638 13.124 12.032 178 1HE LYS 25 1HE LYS 25 -3.197 14.958 11.605 179 2HE LYS 25 2HE LYS 25 -4.825 15.617 11.441 180 1HZ LYS 25 1HZ LYS 25 -3.119 15.813 13.837 181 2HZ LYS 25 2HZ LYS 25 -3.377 17.020 12.743 182 3HZ LYS 25 3HZ LYS 25 -4.619 16.473 13.675 183 H TYR 26 H TYR 26 -5.328 9.189 13.824 184 HA TYR 26 HA TYR 26 -7.330 8.195 15.741 185 1HB TYR 26 1HB TYR 26 -4.709 6.924 14.970 186 2HB TYR 26 2HB TYR 26 -6.160 6.114 15.579 187 HD1 TYR 26 HD1 TYR 26 -8.165 7.583 13.751 188 HD2 TYR 26 HD2 TYR 26 -4.415 5.615 12.974 189 HE1 TYR 26 HE1 TYR 26 -8.736 7.472 11.397 190 HE2 TYR 26 HE2 TYR 26 -5.055 5.335 10.623 191 HH TYR 26 HH TYR 26 -8.183 6.522 9.335 192 H ASP 27 H ASP 27 -4.314 9.841 15.893 193 HA ASP 27 HA ASP 27 -2.836 10.320 17.556 194 1HB ASP 27 1HB ASP 27 -5.573 11.060 18.634 195 2HB ASP 27 2HB ASP 27 -4.058 11.559 19.404 196 H GLY 28 H GLY 28 -4.995 9.642 20.237 197 1HA GLY 28 1HA GLY 28 -2.843 8.311 21.554 198 2HA GLY 28 2HA GLY 28 -4.515 8.379 22.115 199 H VAL 29 H VAL 29 -5.273 7.008 19.385 200 HA VAL 29 HA VAL 29 -5.281 4.326 20.401 201 HB VAL 29 HB VAL 29 -5.669 5.392 17.592 202 1HG1 VAL 29 1HG1 VAL 29 -6.385 2.678 18.777 203 2HG1 VAL 29 2HG1 VAL 29 -6.926 3.275 17.196 204 3HG1 VAL 29 3HG1 VAL 29 -5.207 2.986 17.482 205 1HG2 VAL 29 1HG2 VAL 29 -7.322 6.304 19.248 206 2HG2 VAL 29 2HG2 VAL 29 -8.072 5.202 18.093 207 3HG2 VAL 29 3HG2 VAL 29 -7.709 4.646 19.740 208 H GLU 30 H GLU 30 -2.985 6.121 18.284 209 HA GLU 30 HA GLU 30 -1.094 3.854 18.460 210 1HB GLU 30 1HB GLU 30 -0.906 3.817 15.900 211 2HB GLU 30 2HB GLU 30 -2.283 3.029 16.661 212 1HG GLU 30 1HG GLU 30 -3.061 4.136 14.731 213 2HG GLU 30 2HG GLU 30 -3.728 4.989 16.113 214 H GLU 31 H GLU 31 -1.321 6.885 19.087 215 HA GLU 31 HA GLU 31 0.160 8.440 19.566 216 1HB GLU 31 1HB GLU 31 2.321 6.434 18.817 217 2HB GLU 31 2HB GLU 31 2.472 7.813 19.903 218 1HG GLU 31 1HG GLU 31 0.789 5.317 20.407 219 2HG GLU 31 2HG GLU 31 2.292 5.769 21.201 220 H GLU 32 H GLU 32 -0.494 7.808 16.489 221 HA GLU 32 HA GLU 32 1.795 9.119 15.239 222 1HB GLU 32 1HB GLU 32 0.439 7.122 14.353 223 2HB GLU 32 2HB GLU 32 -0.764 8.335 13.853 224 1HG GLU 32 1HG GLU 32 1.031 9.476 12.538 225 2HG GLU 32 2HG GLU 32 2.183 8.242 13.066 226 H ASP 33 H ASP 33 1.088 10.924 16.918 227 HA ASP 33 HA ASP 33 0.468 13.104 15.178 228 1HB ASP 33 1HB ASP 33 -1.857 12.484 15.704 229 2HB ASP 33 2HB ASP 33 -1.549 12.704 17.425 230 H ASP 34 H ASP 34 0.083 12.886 18.807 231 HA ASP 34 HA ASP 34 1.813 15.113 19.172 232 1HB ASP 34 1HB ASP 34 0.270 14.471 20.907 233 2HB ASP 34 2HB ASP 34 1.036 12.876 21.058 234 H GLU 35 H GLU 35 2.511 11.594 19.594 235 HA GLU 35 HA GLU 35 5.301 12.069 20.141 236 1HB GLU 35 1HB GLU 35 3.895 9.486 19.333 237 2HB GLU 35 2HB GLU 35 5.538 9.651 19.931 238 1HG GLU 35 1HG GLU 35 4.287 8.957 21.800 239 2HG GLU 35 2HG GLU 35 4.626 10.670 22.062 240 H GLU 36 H GLU 36 3.596 10.632 17.300 241 HA GLU 36 HA GLU 36 5.993 11.331 15.615 242 1HB GLU 36 1HB GLU 36 3.966 9.157 15.080 243 2HB GLU 36 2HB GLU 36 5.493 9.466 14.260 244 1HG GLU 36 1HG GLU 36 5.095 8.488 17.124 245 2HG GLU 36 2HG GLU 36 5.722 7.570 15.755 246 HA PRO 37 HA PRO 37 2.590 13.869 13.801 247 1HB PRO 37 1HB PRO 37 3.920 16.261 13.598 248 2HB PRO 37 2HB PRO 37 3.031 15.755 15.058 249 1HG PRO 37 1HG PRO 37 5.989 15.579 14.533 250 2HG PRO 37 2HG PRO 37 5.169 16.120 16.020 251 1HD PRO 37 1HD PRO 37 6.188 13.588 15.717 252 2HD PRO 37 2HD PRO 37 4.731 13.928 16.690 253 H ASN 38 H ASN 38 2.499 14.393 11.637 254 HA ASN 38 HA ASN 38 3.546 12.806 9.824 255 1HB ASN 38 1HB ASN 38 1.735 14.504 9.532 256 2HB ASN 38 2HB ASN 38 2.963 15.730 9.218 257 1HD2 ASN 38 2HD2 ASN 38 4.612 13.553 7.508 258 2HD2 ASN 38 1HD2 ASN 38 3.673 13.622 6.035 259 H VAL 39 H VAL 39 5.094 16.001 10.488 260 HA VAL 39 HA VAL 39 6.915 15.775 8.341 261 HB VAL 39 HB VAL 39 6.996 17.587 10.774 262 1HG1 VAL 39 1HG1 VAL 39 8.649 17.655 8.208 263 2HG1 VAL 39 2HG1 VAL 39 8.565 18.954 9.416 264 3HG1 VAL 39 3HG1 VAL 39 9.285 17.399 9.848 265 1HG2 VAL 39 1HG2 VAL 39 6.117 18.009 7.894 266 2HG2 VAL 39 2HG2 VAL 39 5.045 17.895 9.304 267 3HG2 VAL 39 3HG2 VAL 39 6.176 19.246 9.165 268 HA PRO 40 HA PRO 40 10.442 14.226 11.108 269 1HB PRO 40 1HB PRO 40 10.043 13.522 13.730 270 2HB PRO 40 2HB PRO 40 10.492 15.170 13.207 271 1HG PRO 40 1HG PRO 40 7.712 14.113 13.775 272 2HG PRO 40 2HG PRO 40 8.468 15.600 14.426 273 1HD PRO 40 1HD PRO 40 6.838 15.760 12.283 274 2HD PRO 40 2HD PRO 40 8.372 16.673 12.304 275 H CYS 41 H CYS 41 7.170 12.908 11.862 276 HA CYS 41 HA CYS 41 7.809 10.182 12.123 277 1HB CYS 41 1HB CYS 41 5.553 11.173 12.435 278 2HB CYS 41 2HB CYS 41 5.461 11.472 10.691 279 H LEU 42 H LEU 42 7.248 12.142 9.185 280 HA LEU 42 HA LEU 42 7.719 11.848 7.032 281 1HB LEU 42 1HB LEU 42 9.939 12.133 8.264 282 2HB LEU 42 2HB LEU 42 10.174 10.396 8.094 283 HG LEU 42 HG LEU 42 10.152 10.679 5.588 284 1HD1 LEU 42 1HD1 LEU 42 9.940 13.643 6.282 285 2HD1 LEU 42 2HD1 LEU 42 10.419 13.005 4.695 286 3HD1 LEU 42 3HD1 LEU 42 8.795 12.695 5.304 287 1HD2 LEU 42 1HD2 LEU 42 12.252 10.694 6.875 288 2HD2 LEU 42 2HD2 LEU 42 12.346 11.755 5.459 289 3HD2 LEU 42 3HD2 LEU 42 12.120 12.455 7.078 290 H VAL 43 H VAL 43 5.943 9.911 7.863 291 HA VAL 43 HA VAL 43 4.812 8.192 6.949 292 HB VAL 43 HB VAL 43 6.769 8.175 4.672 293 1HG1 VAL 43 1HG1 VAL 43 3.797 7.604 4.816 294 2HG1 VAL 43 2HG1 VAL 43 4.744 7.668 3.330 295 3HG1 VAL 43 3HG1 VAL 43 5.090 6.413 4.511 296 1HG2 VAL 43 1HG2 VAL 43 4.511 10.098 5.438 297 2HG2 VAL 43 2HG2 VAL 43 6.160 10.531 4.947 298 3HG2 VAL 43 3HG2 VAL 43 5.014 9.916 3.758 299 H ARG 44 H ARG 44 8.180 7.572 7.549 300 HA ARG 44 HA ARG 44 9.260 5.812 8.382 301 1HB ARG 44 1HB ARG 44 6.585 4.367 8.542 302 2HB ARG 44 2HB ARG 44 8.114 3.796 9.202 303 1HG ARG 44 1HG ARG 44 8.285 5.647 10.713 304 2HG ARG 44 2HG ARG 44 6.911 6.493 9.998 305 1HD ARG 44 1HD ARG 44 6.595 3.750 11.297 306 2HD ARG 44 2HD ARG 44 6.535 5.256 12.200 307 HE ARG 44 HE ARG 44 4.558 5.909 11.256 308 1HH1 ARG 44 1HH1 ARG 44 5.536 2.835 9.744 309 2HH1 ARG 44 2HH1 ARG 44 3.919 2.523 9.139 310 1HH2 ARG 44 1HH2 ARG 44 2.464 5.397 10.508 311 2HH2 ARG 44 2HH2 ARG 44 2.230 3.940 9.556 312 H VAL 45 H VAL 45 6.768 4.447 6.184 313 HA VAL 45 HA VAL 45 8.818 2.955 4.680 314 HB VAL 45 HB VAL 45 6.629 1.993 5.133 315 1HG1 VAL 45 1HG1 VAL 45 5.223 4.081 4.892 316 2HG1 VAL 45 2HG1 VAL 45 5.359 3.912 3.138 317 3HG1 VAL 45 3HG1 VAL 45 4.599 2.635 4.083 318 1HG2 VAL 45 1HG2 VAL 45 7.966 1.242 3.200 319 2HG2 VAL 45 2HG2 VAL 45 6.222 1.035 2.961 320 3HG2 VAL 45 3HG2 VAL 45 7.065 2.367 2.158 321 H CYS 46 H CYS 46 9.872 5.314 4.560 322 HA CYS 46 HA CYS 46 8.536 7.064 2.684 323 1HB CYS 46 1HB CYS 46 9.839 7.949 4.577 324 2HB CYS 46 2HB CYS 46 11.310 7.407 3.755 325 H HIS 47 H HIS 47 8.451 5.363 0.921 326 HA HIS 47 HA HIS 47 10.635 6.061 -0.988 327 1HB HIS 47 1HB HIS 47 10.694 3.782 -1.839 328 2HB HIS 47 2HB HIS 47 11.251 3.917 -0.174 329 HD1 HIS 47 HD1 HIS 47 7.802 3.121 -1.753 330 HD2 HIS 47 HD2 HIS 47 10.563 1.749 1.095 331 HE1 HIS 47 HE1 HIS 47 6.824 0.987 -0.796 332 H GLN 48 H GLN 48 8.992 7.656 -1.455 333 HA GLN 48 HA GLN 48 7.406 8.601 -2.685 334 1HB GLN 48 1HB GLN 48 7.986 8.617 -4.911 335 2HB GLN 48 2HB GLN 48 9.443 8.271 -3.993 336 1HG GLN 48 1HG GLN 48 9.797 6.641 -5.499 337 2HG GLN 48 2HG GLN 48 8.600 5.687 -4.633 338 1HE2 GLN 48 2HE2 GLN 48 6.460 5.515 -5.574 339 2HE2 GLN 48 1HE2 GLN 48 6.177 5.946 -7.263 340 H ASP 49 H ASP 49 5.264 8.699 -3.005 341 HA ASP 49 HA ASP 49 3.868 6.749 -4.641 342 1HB ASP 49 1HB ASP 49 3.936 5.510 -2.476 343 2HB ASP 49 2HB ASP 49 3.306 6.949 -1.646 344 H CYS 50 H CYS 50 1.545 7.502 -4.929 345 HA CYS 50 HA CYS 50 1.342 10.425 -4.521 346 1HB CYS 50 1HB CYS 50 0.743 9.229 -6.689 347 2HB CYS 50 2HB CYS 50 -0.701 8.641 -5.843 348 H VAL 51 H VAL 51 -0.050 11.327 -2.972 349 HA VAL 51 HA VAL 51 -1.706 9.508 -1.309 350 HB VAL 51 HB VAL 51 0.379 11.429 -0.176 351 1HG1 VAL 51 1HG1 VAL 51 -1.549 9.457 1.123 352 2HG1 VAL 51 2HG1 VAL 51 -0.186 10.189 1.971 353 3HG1 VAL 51 3HG1 VAL 51 -1.473 11.218 1.363 354 1HG2 VAL 51 1HG2 VAL 51 0.492 8.398 -0.303 355 2HG2 VAL 51 2HG2 VAL 51 1.581 9.519 -1.125 356 3HG2 VAL 51 3HG2 VAL 51 1.588 9.427 0.635 357 H CYS 52 H CYS 52 -3.321 10.656 -0.119 358 HA CYS 52 HA CYS 52 -4.880 12.578 -1.178 359 1HB CYS 52 1HB CYS 52 -5.592 11.438 0.696 360 2HB CYS 52 2HB CYS 52 -4.221 11.974 1.688 361 H GLU 53 H GLU 53 -4.893 14.618 -1.720 362 HA GLU 53 HA GLU 53 -2.749 16.349 -1.677 363 1HB GLU 53 1HB GLU 53 -4.711 16.544 -3.120 364 2HB GLU 53 2HB GLU 53 -5.716 17.009 -1.737 365 1HG GLU 53 1HG GLU 53 -4.419 19.084 -1.470 366 2HG GLU 53 2HG GLU 53 -3.261 18.550 -2.704 367 H GLU 54 H GLU 54 -1.912 17.758 -0.332 368 HA GLU 54 HA GLU 54 -2.198 17.403 2.418 369 1HB GLU 54 1HB GLU 54 -0.466 19.187 2.594 370 2HB GLU 54 2HB GLU 54 -0.078 17.835 1.531 371 1HG GLU 54 1HG GLU 54 -0.698 19.288 -0.464 372 2HG GLU 54 2HG GLU 54 -0.941 20.630 0.660 373 H GLY 55 H GLY 55 -4.484 17.816 2.534 374 1HA GLY 55 1HA GLY 55 -4.986 20.294 3.994 375 2HA GLY 55 2HA GLY 55 -5.882 20.170 2.464 376 H PHE 56 H PHE 56 -6.311 17.367 2.357 377 HA PHE 56 HA PHE 56 -8.333 17.038 4.518 378 1HB PHE 56 1HB PHE 56 -8.072 15.275 2.124 379 2HB PHE 56 2HB PHE 56 -9.465 15.630 3.081 380 HD1 PHE 56 HD1 PHE 56 -7.174 17.089 0.498 381 HD2 PHE 56 HD2 PHE 56 -11.041 17.277 2.401 382 HE1 PHE 56 HE1 PHE 56 -7.917 18.710 -1.180 383 HE2 PHE 56 HE2 PHE 56 -11.812 18.850 0.659 384 HZ PHE 56 HZ PHE 56 -10.250 19.598 -1.131 385 H TYR 57 H TYR 57 -8.420 14.163 4.514 386 HA TYR 57 HA TYR 57 -5.647 13.470 5.432 387 1HB TYR 57 1HB TYR 57 -8.256 12.772 6.808 388 2HB TYR 57 2HB TYR 57 -6.625 12.333 7.327 389 HD1 TYR 57 HD1 TYR 57 -5.008 14.114 8.061 390 HD2 TYR 57 HD2 TYR 57 -9.113 15.029 7.144 391 HE1 TYR 57 HE1 TYR 57 -4.538 16.524 8.355 392 HE2 TYR 57 HE2 TYR 57 -8.602 17.449 7.289 393 HH TYR 57 HH TYR 57 -6.584 18.822 6.845 394 H ARG 58 H ARG 58 -5.043 11.289 5.370 395 HA ARG 58 HA ARG 58 -6.157 9.845 3.102 396 1HB ARG 58 1HB ARG 58 -4.390 8.213 3.542 397 2HB ARG 58 2HB ARG 58 -3.768 9.858 3.498 398 1HG ARG 58 1HG ARG 58 -2.824 9.567 5.491 399 2HG ARG 58 2HG ARG 58 -4.406 9.327 6.230 400 1HD ARG 58 1HD ARG 58 -4.145 6.826 5.455 401 2HD ARG 58 2HD ARG 58 -2.471 7.271 5.128 402 HE ARG 58 HE ARG 58 -1.989 7.330 7.344 403 1HH1 ARG 58 1HH1 ARG 58 -5.515 7.352 6.961 404 2HH1 ARG 58 2HH1 ARG 58 -5.844 6.944 8.627 405 1HH2 ARG 58 1HH2 ARG 58 -2.382 7.108 9.546 406 2HH2 ARG 58 2HH2 ARG 58 -4.002 7.100 10.189 407 H ASN 59 H ASN 59 -8.368 9.919 4.214 408 HA ASN 59 HA ASN 59 -8.867 8.352 6.556 409 1HB ASN 59 1HB ASN 59 -10.821 9.013 4.314 410 2HB ASN 59 2HB ASN 59 -11.231 8.367 5.891 411 1HD2 ASN 59 2HD2 ASN 59 -9.633 11.176 4.310 412 2HD2 ASN 59 1HD2 ASN 59 -10.210 12.361 5.470 413 H LYS 60 H LYS 60 -8.592 6.223 6.724 414 HA LYS 60 HA LYS 60 -8.149 4.105 6.265 415 1HB LYS 60 1HB LYS 60 -10.093 2.804 5.426 416 2HB LYS 60 2HB LYS 60 -10.363 3.885 6.791 417 1HG LYS 60 1HG LYS 60 -11.424 5.548 5.257 418 2HG LYS 60 2HG LYS 60 -11.288 4.384 3.924 419 1HD LYS 60 1HD LYS 60 -12.634 2.754 5.179 420 2HD LYS 60 2HD LYS 60 -12.736 3.860 6.559 421 1HE LYS 60 1HE LYS 60 -13.839 4.443 3.767 422 2HE LYS 60 2HE LYS 60 -14.787 3.884 5.155 423 1HZ LYS 60 1HZ LYS 60 -14.126 5.866 6.328 424 2HZ LYS 60 2HZ LYS 60 -13.310 6.414 5.007 425 3HZ LYS 60 3HZ LYS 60 -14.944 6.223 4.943 426 H ASP 61 H ASP 61 -9.555 5.017 3.103 427 HA ASP 61 HA ASP 61 -7.465 3.288 1.806 428 1HB ASP 61 1HB ASP 61 -9.731 2.326 1.575 429 2HB ASP 61 2HB ASP 61 -10.304 3.834 0.847 430 H ASP 62 H ASP 62 -6.707 5.631 2.544 431 HA ASP 62 HA ASP 62 -6.138 7.766 2.130 432 1HB ASP 62 1HB ASP 62 -4.656 6.437 0.656 433 2HB ASP 62 2HB ASP 62 -5.774 6.694 -0.693 434 H LYS 63 H LYS 63 -8.955 7.498 2.122 435 HA LYS 63 HA LYS 63 -10.011 8.916 -0.204 436 1HB LYS 63 1HB LYS 63 -11.278 8.114 2.432 437 2HB LYS 63 2HB LYS 63 -12.142 8.883 1.104 438 1HG LYS 63 1HG LYS 63 -10.593 6.282 0.772 439 2HG LYS 63 2HG LYS 63 -12.262 6.313 1.330 440 1HD LYS 63 1HD LYS 63 -13.072 7.278 -0.688 441 2HD LYS 63 2HD LYS 63 -11.452 7.665 -1.279 442 1HE LYS 63 1HE LYS 63 -12.299 4.796 -0.753 443 2HE LYS 63 2HE LYS 63 -12.596 5.603 -2.302 444 1HZ LYS 63 1HZ LYS 63 -9.919 5.424 -1.116 445 2HZ LYS 63 2HZ LYS 63 -10.527 4.331 -2.184 446 3HZ LYS 63 3HZ LYS 63 -10.339 5.906 -2.638 447 H CYS 64 H CYS 64 -9.199 10.854 -0.427 448 HA CYS 64 HA CYS 64 -8.469 12.639 1.618 449 1HB CYS 64 1HB CYS 64 -7.864 12.396 -0.951 450 2HB CYS 64 2HB CYS 64 -9.033 13.676 -1.153 451 H VAL 65 H VAL 65 -10.540 12.369 2.865 452 HA VAL 65 HA VAL 65 -12.233 14.775 2.318 453 HB VAL 65 HB VAL 65 -13.958 13.755 3.775 454 1HG1 VAL 65 1HG1 VAL 65 -14.140 13.756 1.310 455 2HG1 VAL 65 2HG1 VAL 65 -13.287 12.198 1.237 456 3HG1 VAL 65 3HG1 VAL 65 -14.879 12.308 2.017 457 1HG2 VAL 65 1HG2 VAL 65 -12.555 12.063 4.900 458 2HG2 VAL 65 2HG2 VAL 65 -13.982 11.339 4.136 459 3HG2 VAL 65 3HG2 VAL 65 -12.395 11.162 3.377 460 H SER 66 H SER 66 -12.855 16.014 4.087 461 HA SER 66 HA SER 66 -10.617 16.804 5.532 462 1HB SER 66 1HB SER 66 -13.492 17.707 5.882 463 2HB SER 66 2HB SER 66 -12.019 18.680 6.104 464 HG SER 66 HG SER 66 -12.992 19.048 4.066 465 H ALA 67 H ALA 67 -10.911 17.662 7.820 466 HA ALA 67 HA ALA 67 -10.446 15.740 9.655 467 1HB ALA 67 1HB ALA 67 -9.944 18.088 9.950 468 2HB ALA 67 2HB ALA 67 -11.673 18.469 10.134 469 3HB ALA 67 3HB ALA 67 -10.845 17.466 11.352 470 H GLU 68 H GLU 68 -13.576 17.382 9.244 471 HA GLU 68 HA GLU 68 -15.252 16.222 11.074 472 1HB GLU 68 1HB GLU 68 -16.879 16.090 8.902 473 2HB GLU 68 2HB GLU 68 -16.541 17.581 9.779 474 1HG GLU 68 1HG GLU 68 -14.888 16.753 7.366 475 2HG GLU 68 2HG GLU 68 -16.452 17.538 7.193 476 H ASP 69 H ASP 69 -14.563 14.779 7.873 477 HA ASP 69 HA ASP 69 -16.016 12.350 8.360 478 1HB ASP 69 1HB ASP 69 -13.770 12.997 6.418 479 2HB ASP 69 2HB ASP 69 -14.807 11.564 6.346 480 H CYS 70 H CYS 70 -12.563 13.299 8.557 481 HA CYS 70 HA CYS 70 -11.517 10.781 9.262 482 1HB CYS 70 1HB CYS 70 -9.948 12.390 8.679 483 2HB CYS 70 2HB CYS 70 -10.584 13.570 9.829 484 H GLU 71 H GLU 71 -13.001 13.170 11.502 485 HA GLU 71 HA GLU 71 -12.392 11.702 13.827 486 1HB GLU 71 1HB GLU 71 -15.080 13.080 13.380 487 2HB GLU 71 2HB GLU 71 -14.265 12.774 14.917 488 1HG GLU 71 1HG GLU 71 -13.546 14.817 12.789 489 2HG GLU 71 2HG GLU 71 -14.094 15.101 14.424 490 H LEU 72 H LEU 72 -14.955 11.177 11.477 491 HA LEU 72 HA LEU 72 -16.182 8.933 12.919 492 1HB LEU 72 1HB LEU 72 -16.614 10.167 10.182 493 2HB LEU 72 2HB LEU 72 -17.285 8.595 10.615 494 HG LEU 72 HG LEU 72 -18.480 9.556 12.526 495 1HD1 LEU 72 1HD1 LEU 72 -17.407 12.227 11.524 496 2HD1 LEU 72 2HD1 LEU 72 -18.748 12.045 12.669 497 3HD1 LEU 72 3HD1 LEU 72 -17.136 11.500 13.128 498 1HD2 LEU 72 1HD2 LEU 72 -19.555 9.353 10.309 499 2HD2 LEU 72 2HD2 LEU 72 -20.172 10.758 11.196 500 3HD2 LEU 72 3HD2 LEU 72 -18.996 10.985 9.883 501 H ASP 73 H ASP 73 -13.759 9.349 10.337 502 HA ASP 73 HA ASP 73 -13.484 6.598 9.653 503 1HB ASP 73 1HB ASP 73 -12.426 8.547 8.440 504 2HB ASP 73 2HB ASP 73 -11.259 8.660 9.772 505 H ASN 74 H ASN 74 -12.103 8.548 12.296 506 HA ASN 74 HA ASN 74 -10.655 6.358 13.543 507 1HB ASN 74 1HB ASN 74 -10.021 8.605 14.172 508 2HB ASN 74 2HB ASN 74 -11.670 9.031 14.558 509 1HD2 ASN 74 2HD2 ASN 74 -9.143 6.611 15.646 510 2HD2 ASN 74 1HD2 ASN 74 -9.726 6.645 17.309 511 H MET 75 H MET 75 -13.696 8.003 14.544 512 HA MET 75 HA MET 75 -15.143 7.439 16.165 513 1HB MET 75 1HB MET 75 -16.156 6.723 14.047 514 2HB MET 75 2HB MET 75 -15.544 5.084 14.277 515 1HG MET 75 1HG MET 75 -17.963 5.419 14.815 516 2HG MET 75 2HG MET 75 -17.047 4.739 16.144 517 1HE MET 75 1HE MET 75 -18.758 7.955 14.704 518 2HE MET 75 2HE MET 75 -18.573 9.105 16.050 519 3HE MET 75 3HE MET 75 -17.149 8.603 15.117 520 H ASP 76 H ASP 76 -12.893 6.985 17.272 521 HA ASP 76 HA ASP 76 -13.201 4.829 19.166 522 1HB ASP 76 1HB ASP 76 -12.352 3.522 17.245 523 2HB ASP 76 2HB ASP 76 -11.003 4.641 17.050 524 H PHE 77 H PHE 77 -13.272 7.020 20.086 525 HA PHE 77 HA PHE 77 -12.525 8.383 21.662 526 1HB PHE 77 1HB PHE 77 -9.910 6.859 21.520 527 2HB PHE 77 2HB PHE 77 -10.424 7.952 22.790 528 HD1 PHE 77 HD1 PHE 77 -12.510 7.391 24.172 529 HD2 PHE 77 HD2 PHE 77 -10.478 4.542 21.649 530 HE1 PHE 77 HE1 PHE 77 -13.504 5.524 25.469 531 HE2 PHE 77 HE2 PHE 77 -11.513 2.686 22.911 532 HZ PHE 77 HZ PHE 77 -13.012 3.168 24.839 533 H ILE 78 H ILE 78 -9.900 8.063 19.251 534 HA ILE 78 HA ILE 78 -8.467 9.530 18.333 535 HB ILE 78 HB ILE 78 -10.226 11.809 19.383 536 1HG1 ILE 78 1HG1 ILE 78 -10.072 10.348 16.719 537 2HG1 ILE 78 2HG1 ILE 78 -11.434 10.384 17.867 538 1HG2 ILE 78 1HG2 ILE 78 -7.915 11.818 17.417 539 2HG2 ILE 78 2HG2 ILE 78 -8.989 13.187 17.763 540 3HG2 ILE 78 3HG2 ILE 78 -7.932 12.564 19.019 541 1HD1 ILE 78 1HD1 ILE 78 -11.651 12.848 17.434 542 2HD1 ILE 78 2HD1 ILE 78 -10.469 12.644 16.109 543 3HD1 ILE 78 3HD1 ILE 78 -12.015 11.786 16.057 544 H TYR 79 H TYR 79 -9.447 11.090 21.388 545 HA TYR 79 HA TYR 79 -8.309 11.737 23.228 546 1HB TYR 79 1HB TYR 79 -5.938 10.047 22.506 547 2HB TYR 79 2HB TYR 79 -6.421 10.687 24.065 548 HD1 TYR 79 HD1 TYR 79 -8.416 9.759 25.264 549 HD2 TYR 79 HD2 TYR 79 -6.676 7.867 21.810 550 HE1 TYR 79 HE1 TYR 79 -9.358 7.574 25.977 551 HE2 TYR 79 HE2 TYR 79 -7.475 5.669 22.608 552 HH TYR 79 HH TYR 79 -9.805 5.334 25.195 553 HA PRO 80 HA PRO 80 -6.579 15.152 20.792 554 1HB PRO 80 1HB PRO 80 -6.094 16.074 23.648 555 2HB PRO 80 2HB PRO 80 -6.561 17.065 22.232 556 1HG PRO 80 1HG PRO 80 -8.478 16.226 23.938 557 2HG PRO 80 2HG PRO 80 -8.746 16.029 22.179 558 1HD PRO 80 1HD PRO 80 -7.863 13.941 24.179 559 2HD PRO 80 2HD PRO 80 -9.041 13.811 22.834 560 H GLY 81 H GLY 81 -4.636 14.564 19.784 561 1HA GLY 81 1HA GLY 81 -2.371 14.833 19.503 562 2HA GLY 81 2HA GLY 81 -2.159 15.215 21.214 563 H THR 82 H THR 82 -3.186 13.078 22.531 564 HA THR 82 HA THR 82 -2.413 10.540 21.473 565 HB THR 82 HB THR 82 -0.176 11.299 21.898 566 HG1 THR 82 HG1 THR 82 0.475 9.690 23.214 567 1HG2 THR 82 1HG2 THR 82 -1.174 11.980 24.695 568 2HG2 THR 82 2HG2 THR 82 0.542 11.938 24.241 569 3HG2 THR 82 3HG2 THR 82 -0.546 13.119 23.494 570 H ARG 83 H ARG 83 -2.241 9.075 23.603 571 HA ARG 83 HA ARG 83 -4.914 8.927 24.628 572 1HB ARG 83 1HB ARG 83 -4.060 7.072 26.011 573 2HB ARG 83 2HB ARG 83 -3.714 6.953 24.290 574 1HG ARG 83 1HG ARG 83 -1.331 7.854 24.850 575 2HG ARG 83 2HG ARG 83 -1.773 7.629 26.546 576 1HD ARG 83 1HD ARG 83 -0.514 5.730 25.686 577 2HD ARG 83 2HD ARG 83 -2.169 5.217 26.093 578 HE ARG 83 HE ARG 83 -2.191 5.952 23.369 579 1HH1 ARG 83 1HH1 ARG 83 -0.531 3.507 25.302 580 2HH1 ARG 83 2HH1 ARG 83 -0.504 2.333 24.011 581 1HH2 ARG 83 1HH2 ARG 83 -2.292 4.480 21.801 582 2HH2 ARG 83 2HH2 ARG 83 -1.523 2.909 21.904 583 H ASN 84 H ASN 84 -1.856 10.060 26.098 584 HA ASN 84 HA ASN 84 -3.306 12.018 27.570 585 1HB ASN 84 1HB ASN 84 -2.568 11.415 29.841 586 2HB ASN 84 2HB ASN 84 -3.596 10.148 29.177 587 1HD2 ASN 84 2HD2 ASN 84 -0.181 11.013 30.013 588 2HD2 ASN 84 1HD2 ASN 84 0.342 9.342 30.031 589 HA PRO 85 HA PRO 85 0.849 13.695 26.917 590 1HB PRO 85 1HB PRO 85 0.855 15.843 28.604 591 2HB PRO 85 2HB PRO 85 -0.114 15.806 27.103 592 1HG PRO 85 1HG PRO 85 -1.052 15.156 29.913 593 2HG PRO 85 2HG PRO 85 -1.815 16.270 28.741 594 1HD PRO 85 1HD PRO 85 -2.668 13.710 29.039 595 2HD PRO 85 2HD PRO 85 -2.607 14.458 27.415 Start of MODEL 9 1 1H LYS 1 1H LYS 1 1.232 11.120 -16.675 2 2H LYS 1 2H LYS 1 0.741 12.691 -16.835 3 3H LYS 1 3H LYS 1 2.233 12.339 -16.216 4 HA LYS 1 HA LYS 1 0.796 12.969 -14.467 5 1HB LYS 1 1HB LYS 1 -1.301 12.368 -15.578 6 2HB LYS 1 2HB LYS 1 -0.906 10.646 -15.458 7 1HG LYS 1 1HG LYS 1 -1.044 10.741 -13.009 8 2HG LYS 1 2HG LYS 1 -1.299 12.500 -13.063 9 1HD LYS 1 1HD LYS 1 -3.401 12.166 -14.311 10 2HD LYS 1 2HD LYS 1 -3.157 10.414 -14.311 11 1HE LYS 1 1HE LYS 1 -3.443 12.117 -11.783 12 2HE LYS 1 2HE LYS 1 -4.771 11.247 -12.563 13 1HZ LYS 1 1HZ LYS 1 -3.609 9.205 -12.202 14 2HZ LYS 1 2HZ LYS 1 -2.366 9.980 -11.455 15 3HZ LYS 1 3HZ LYS 1 -3.875 9.999 -10.785 16 H ALA 2 H ALA 2 1.477 12.243 -12.489 17 HA ALA 2 HA ALA 2 3.309 10.112 -12.099 18 1HB ALA 2 1HB ALA 2 1.389 11.492 -10.175 19 2HB ALA 2 2HB ALA 2 2.693 10.384 -9.698 20 3HB ALA 2 3HB ALA 2 3.086 11.927 -10.487 21 H THR 3 H THR 3 2.735 8.137 -12.831 22 HA THR 3 HA THR 3 0.116 7.249 -13.078 23 HB THR 3 HB THR 3 2.556 5.484 -13.324 24 HG1 THR 3 HG1 THR 3 1.974 7.884 -14.710 25 1HG2 THR 3 1HG2 THR 3 0.334 4.597 -14.027 26 2HG2 THR 3 2HG2 THR 3 0.135 5.983 -15.126 27 3HG2 THR 3 3HG2 THR 3 1.434 4.805 -15.404 28 H MET 4 H MET 4 -0.254 7.631 -10.650 29 HA MET 4 HA MET 4 -0.878 5.038 -9.541 30 1HB MET 4 1HB MET 4 0.472 7.092 -7.735 31 2HB MET 4 2HB MET 4 -0.131 5.499 -7.284 32 1HG MET 4 1HG MET 4 1.631 4.486 -8.754 33 2HG MET 4 2HG MET 4 2.242 6.123 -9.070 34 1HE MET 4 1HE MET 4 4.239 3.987 -8.123 35 2HE MET 4 2HE MET 4 4.655 5.711 -8.323 36 3HE MET 4 3HE MET 4 5.093 4.860 -6.825 37 H GLN 5 H GLN 5 -2.250 6.013 -7.314 38 HA GLN 5 HA GLN 5 -4.434 7.250 -8.705 39 1HB GLN 5 1HB GLN 5 -5.760 6.741 -6.845 40 2HB GLN 5 2HB GLN 5 -4.690 5.386 -7.173 41 1HG GLN 5 1HG GLN 5 -4.564 7.349 -4.873 42 2HG GLN 5 2HG GLN 5 -4.955 5.646 -4.803 43 1HE2 GLN 5 2HE2 GLN 5 -2.688 7.499 -3.631 44 2HE2 GLN 5 1HE2 GLN 5 -1.256 6.514 -3.914 45 H CYS 6 H CYS 6 -2.611 9.175 -8.922 46 HA CYS 6 HA CYS 6 -3.096 11.373 -7.020 47 1HB CYS 6 1HB CYS 6 -1.680 11.118 -9.680 48 2HB CYS 6 2HB CYS 6 -2.068 12.701 -9.008 49 H GLY 7 H GLY 7 -4.044 13.474 -7.988 50 1HA GLY 7 1HA GLY 7 -5.556 14.613 -9.340 51 2HA GLY 7 2HA GLY 7 -5.923 13.134 -10.239 52 H GLU 8 H GLU 8 -6.656 11.421 -8.163 53 HA GLU 8 HA GLU 8 -9.304 12.219 -7.338 54 1HB GLU 8 1HB GLU 8 -7.479 9.959 -6.391 55 2HB GLU 8 2HB GLU 8 -9.213 10.091 -6.072 56 1HG GLU 8 1HG GLU 8 -9.696 9.954 -8.495 57 2HG GLU 8 2HG GLU 8 -7.966 9.855 -8.860 58 H ASN 9 H ASN 9 -8.302 14.340 -6.480 59 HA ASN 9 HA ASN 9 -7.305 15.661 -4.966 60 1HB ASN 9 1HB ASN 9 -8.402 15.827 -2.795 61 2HB ASN 9 2HB ASN 9 -9.500 15.758 -4.167 62 1HD2 ASN 9 2HD2 ASN 9 -7.912 13.406 -1.937 63 2HD2 ASN 9 1HD2 ASN 9 -9.426 12.552 -1.558 64 H GLU 10 H GLU 10 -5.520 14.067 -5.634 65 HA GLU 10 HA GLU 10 -3.842 13.677 -3.273 66 1HB GLU 10 1HB GLU 10 -4.617 11.545 -5.313 67 2HB GLU 10 2HB GLU 10 -3.043 11.492 -4.490 68 1HG GLU 10 1HG GLU 10 -4.080 11.356 -2.345 69 2HG GLU 10 2HG GLU 10 -5.711 11.526 -3.037 70 H LYS 11 H LYS 11 -1.610 13.887 -3.814 71 HA LYS 11 HA LYS 11 -0.877 14.405 -6.610 72 1HB LYS 11 1HB LYS 11 0.241 16.400 -6.261 73 2HB LYS 11 2HB LYS 11 -1.350 16.661 -5.558 74 1HG LYS 11 1HG LYS 11 1.173 15.983 -3.937 75 2HG LYS 11 2HG LYS 11 0.640 17.613 -4.331 76 1HD LYS 11 1HD LYS 11 -1.456 17.307 -3.120 77 2HD LYS 11 2HD LYS 11 -1.007 15.640 -2.689 78 1HE LYS 11 1HE LYS 11 0.924 16.402 -1.431 79 2HE LYS 11 2HE LYS 11 0.673 18.079 -1.958 80 1HZ LYS 11 1HZ LYS 11 -1.223 16.552 -0.322 81 2HZ LYS 11 2HZ LYS 11 -0.142 17.661 0.247 82 3HZ LYS 11 3HZ LYS 11 -1.346 18.139 -0.774 83 H TYR 12 H TYR 12 1.519 14.264 -6.886 84 HA TYR 12 HA TYR 12 2.378 11.871 -5.534 85 1HB TYR 12 1HB TYR 12 2.665 12.507 -7.972 86 2HB TYR 12 2HB TYR 12 3.963 13.578 -7.456 87 HD1 TYR 12 HD1 TYR 12 2.796 10.015 -6.908 88 HD2 TYR 12 HD2 TYR 12 6.128 12.639 -7.700 89 HE1 TYR 12 HE1 TYR 12 4.209 8.061 -7.441 90 HE2 TYR 12 HE2 TYR 12 7.541 10.682 -8.206 91 HH TYR 12 HH TYR 12 7.660 8.329 -8.100 92 H ASP 13 H ASP 13 3.869 11.575 -3.892 93 HA ASP 13 HA ASP 13 5.715 13.754 -3.216 94 1HB ASP 13 1HB ASP 13 3.608 14.226 -1.926 95 2HB ASP 13 2HB ASP 13 3.731 12.601 -1.218 96 H SER 14 H SER 14 7.384 13.059 -1.754 97 HA SER 14 HA SER 14 8.190 10.256 -2.006 98 1HB SER 14 1HB SER 14 10.142 11.254 -0.645 99 2HB SER 14 2HB SER 14 9.899 11.869 -2.296 100 HG SER 14 HG SER 14 8.751 13.109 -0.007 101 H CYS 15 H CYS 15 8.193 8.816 -0.296 102 HA CYS 15 HA CYS 15 7.757 7.841 1.630 103 1HB CYS 15 1HB CYS 15 8.984 9.999 2.582 104 2HB CYS 15 2HB CYS 15 7.391 10.326 3.264 105 H GLY 16 H GLY 16 5.752 7.124 0.633 106 1HA GLY 16 1HA GLY 16 3.356 8.277 1.993 107 2HA GLY 16 2HA GLY 16 3.364 7.938 0.261 108 H SER 17 H SER 17 2.760 5.821 -0.260 109 HA SER 17 HA SER 17 1.875 3.760 -0.007 110 1HB SER 17 1HB SER 17 3.089 3.543 2.787 111 2HB SER 17 2HB SER 17 2.486 2.259 1.734 112 HG SER 17 HG SER 17 4.085 2.843 0.217 113 H LYS 18 H LYS 18 1.748 5.394 3.113 114 HA LYS 18 HA LYS 18 -0.497 6.872 2.895 115 1HB LYS 18 1HB LYS 18 -2.181 5.786 4.327 116 2HB LYS 18 2HB LYS 18 -2.016 5.011 2.757 117 1HG LYS 18 1HG LYS 18 -0.787 3.149 3.705 118 2HG LYS 18 2HG LYS 18 -0.761 3.926 5.307 119 1HD LYS 18 1HD LYS 18 -3.179 3.855 5.475 120 2HD LYS 18 2HD LYS 18 -3.342 3.251 3.816 121 1HE LYS 18 1HE LYS 18 -1.879 1.717 6.010 122 2HE LYS 18 2HE LYS 18 -3.604 1.519 5.653 123 1HZ LYS 18 1HZ LYS 18 -1.453 1.077 3.711 124 2HZ LYS 18 2HZ LYS 18 -2.287 -0.096 4.516 125 3HZ LYS 18 3HZ LYS 18 -3.073 0.886 3.451 126 H GLU 19 H GLU 19 1.930 7.203 3.592 127 HA GLU 19 HA GLU 19 2.927 7.086 6.029 128 1HB GLU 19 1HB GLU 19 4.062 8.057 4.240 129 2HB GLU 19 2HB GLU 19 2.913 9.389 4.077 130 1HG GLU 19 1HG GLU 19 5.279 9.783 5.101 131 2HG GLU 19 2HG GLU 19 3.872 10.603 5.732 132 H CYS 20 H CYS 20 2.472 7.633 7.976 133 HA CYS 20 HA CYS 20 0.039 8.295 8.936 134 1HB CYS 20 1HB CYS 20 2.607 8.844 10.424 135 2HB CYS 20 2HB CYS 20 1.000 8.526 11.101 136 H ASP 21 H ASP 21 2.469 10.512 7.911 137 HA ASP 21 HA ASP 21 1.897 13.039 8.678 138 1HB ASP 21 1HB ASP 21 3.413 12.448 6.802 139 2HB ASP 21 2HB ASP 21 2.027 11.929 5.817 140 H LYS 22 H LYS 22 0.047 11.345 6.116 141 HA LYS 22 HA LYS 22 -2.252 13.191 6.555 142 1HB LYS 22 1HB LYS 22 -1.439 11.562 4.125 143 2HB LYS 22 2HB LYS 22 -3.010 12.355 4.295 144 1HG LYS 22 1HG LYS 22 -0.320 13.744 4.183 145 2HG LYS 22 2HG LYS 22 -1.619 13.762 2.990 146 1HD LYS 22 1HD LYS 22 -3.085 14.748 4.967 147 2HD LYS 22 2HD LYS 22 -1.511 15.110 5.704 148 1HE LYS 22 1HE LYS 22 -2.238 17.054 4.545 149 2HE LYS 22 2HE LYS 22 -0.907 16.373 3.589 150 1HZ LYS 22 1HZ LYS 22 -3.770 15.886 3.056 151 2HZ LYS 22 2HZ LYS 22 -2.884 17.058 2.311 152 3HZ LYS 22 3HZ LYS 22 -2.503 15.485 2.079 153 H LYS 23 H LYS 23 -1.466 10.357 8.003 154 HA LYS 23 HA LYS 23 -4.009 9.067 7.369 155 1HB LYS 23 1HB LYS 23 -1.731 7.878 7.734 156 2HB LYS 23 2HB LYS 23 -2.122 8.049 9.463 157 1HG LYS 23 1HG LYS 23 -3.637 6.624 7.243 158 2HG LYS 23 2HG LYS 23 -2.926 5.919 8.707 159 1HD LYS 23 1HD LYS 23 -4.536 7.318 10.059 160 2HD LYS 23 2HD LYS 23 -5.331 7.805 8.558 161 1HE LYS 23 1HE LYS 23 -5.116 4.972 9.698 162 2HE LYS 23 2HE LYS 23 -6.581 5.957 9.551 163 1HZ LYS 23 1HZ LYS 23 -6.262 5.889 7.151 164 2HZ LYS 23 2HZ LYS 23 -4.970 4.890 7.342 165 3HZ LYS 23 3HZ LYS 23 -6.464 4.373 7.789 166 H CYS 24 H CYS 24 -4.934 11.098 7.957 167 HA CYS 24 HA CYS 24 -6.277 12.392 9.228 168 1HB CYS 24 1HB CYS 24 -7.400 10.189 9.238 169 2HB CYS 24 2HB CYS 24 -6.657 9.832 10.796 170 H LYS 25 H LYS 25 -4.814 13.926 10.085 171 HA LYS 25 HA LYS 25 -3.552 13.540 12.640 172 1HB LYS 25 1HB LYS 25 -4.265 15.980 10.989 173 2HB LYS 25 2HB LYS 25 -3.544 16.132 12.595 174 1HG LYS 25 1HG LYS 25 -2.263 14.384 10.459 175 2HG LYS 25 2HG LYS 25 -1.945 16.123 10.555 176 1HD LYS 25 1HD LYS 25 -1.104 15.942 12.828 177 2HD LYS 25 2HD LYS 25 -1.495 14.224 12.916 178 1HE LYS 25 1HE LYS 25 0.515 15.443 10.974 179 2HE LYS 25 2HE LYS 25 0.902 14.633 12.503 180 1HZ LYS 25 1HZ LYS 25 -0.205 12.658 11.607 181 2HZ LYS 25 2HZ LYS 25 -0.352 13.416 10.147 182 3HZ LYS 25 3HZ LYS 25 1.137 13.106 10.765 183 H TYR 26 H TYR 26 -4.576 13.185 14.466 184 HA TYR 26 HA TYR 26 -7.447 13.411 14.596 185 1HB TYR 26 1HB TYR 26 -5.453 12.590 16.713 186 2HB TYR 26 2HB TYR 26 -7.182 12.289 16.749 187 HD1 TYR 26 HD1 TYR 26 -8.192 10.899 14.737 188 HD2 TYR 26 HD2 TYR 26 -4.006 10.915 15.776 189 HE1 TYR 26 HE1 TYR 26 -7.756 9.090 13.105 190 HE2 TYR 26 HE2 TYR 26 -3.572 9.197 14.084 191 HH TYR 26 HH TYR 26 -4.644 8.769 11.846 192 H ASP 27 H ASP 27 -7.618 15.723 14.324 193 HA ASP 27 HA ASP 27 -6.957 17.685 16.246 194 1HB ASP 27 1HB ASP 27 -8.139 18.241 14.161 195 2HB ASP 27 2HB ASP 27 -9.549 17.296 14.680 196 H GLY 28 H GLY 28 -7.567 17.958 18.409 197 1HA GLY 28 1HA GLY 28 -8.994 17.619 20.295 198 2HA GLY 28 2HA GLY 28 -9.650 16.144 19.579 199 H VAL 29 H VAL 29 -6.441 16.054 18.772 200 HA VAL 29 HA VAL 29 -4.453 15.732 19.664 201 HB VAL 29 HB VAL 29 -5.716 15.713 22.419 202 1HG1 VAL 29 1HG1 VAL 29 -2.780 15.434 21.714 203 2HG1 VAL 29 2HG1 VAL 29 -3.453 15.756 23.318 204 3HG1 VAL 29 3HG1 VAL 29 -3.788 14.213 22.535 205 1HG2 VAL 29 1HG2 VAL 29 -5.513 17.900 21.146 206 2HG2 VAL 29 2HG2 VAL 29 -4.530 17.829 22.618 207 3HG2 VAL 29 3HG2 VAL 29 -3.774 17.610 21.031 208 H GLU 30 H GLU 30 -3.134 14.199 20.023 209 HA GLU 30 HA GLU 30 -3.843 11.397 20.277 210 1HB GLU 30 1HB GLU 30 -2.268 11.078 18.213 211 2HB GLU 30 2HB GLU 30 -3.955 11.479 17.913 212 1HG GLU 30 1HG GLU 30 -3.419 13.807 17.427 213 2HG GLU 30 2HG GLU 30 -1.770 13.609 18.030 214 H GLU 31 H GLU 31 -1.879 10.308 20.879 215 HA GLU 31 HA GLU 31 0.048 11.927 22.302 216 1HB GLU 31 1HB GLU 31 -0.048 8.956 21.702 217 2HB GLU 31 2HB GLU 31 1.191 9.759 22.681 218 1HG GLU 31 1HG GLU 31 -0.480 8.787 24.139 219 2HG GLU 31 2HG GLU 31 -0.509 10.550 24.266 220 H GLU 32 H GLU 32 0.599 13.287 20.496 221 HA GLU 32 HA GLU 32 2.209 12.505 18.307 222 1HB GLU 32 1HB GLU 32 2.291 15.124 19.858 223 2HB GLU 32 2HB GLU 32 2.970 14.827 18.250 224 1HG GLU 32 1HG GLU 32 0.639 14.152 17.477 225 2HG GLU 32 2HG GLU 32 0.029 14.770 19.027 226 H ASP 33 H ASP 33 2.983 12.307 21.609 227 HA ASP 33 HA ASP 33 5.704 12.652 21.902 228 1HB ASP 33 1HB ASP 33 3.986 10.359 22.949 229 2HB ASP 33 2HB ASP 33 5.514 10.925 23.634 230 H ASP 34 H ASP 34 6.570 12.192 19.805 231 HA ASP 34 HA ASP 34 7.733 11.012 18.253 232 1HB ASP 34 1HB ASP 34 7.707 8.675 20.214 233 2HB ASP 34 2HB ASP 34 8.668 8.797 18.741 234 H GLU 35 H GLU 35 5.066 11.360 18.096 235 HA GLU 35 HA GLU 35 3.037 10.571 17.430 236 1HB GLU 35 1HB GLU 35 3.114 9.846 15.045 237 2HB GLU 35 2HB GLU 35 3.921 11.369 15.430 238 1HG GLU 35 1HG GLU 35 6.119 10.329 15.300 239 2HG GLU 35 2HG GLU 35 5.403 8.729 15.072 240 H GLU 36 H GLU 36 2.775 9.032 19.205 241 HA GLU 36 HA GLU 36 3.347 6.294 18.951 242 1HB GLU 36 1HB GLU 36 0.973 7.526 20.374 243 2HB GLU 36 2HB GLU 36 1.586 5.881 20.569 244 1HG GLU 36 1HG GLU 36 3.791 6.801 21.322 245 2HG GLU 36 2HG GLU 36 3.129 8.436 21.218 246 HA PRO 37 HA PRO 37 -0.959 5.850 16.593 247 1HB PRO 37 1HB PRO 37 -0.338 8.206 14.802 248 2HB PRO 37 2HB PRO 37 -1.923 7.444 15.135 249 1HG PRO 37 1HG PRO 37 -1.240 9.694 16.451 250 2HG PRO 37 2HG PRO 37 -1.936 8.342 17.381 251 1HD PRO 37 1HD PRO 37 0.939 9.126 17.072 252 2HD PRO 37 2HD PRO 37 0.083 8.653 18.567 253 H ASN 38 H ASN 38 2.302 6.781 15.475 254 HA ASN 38 HA ASN 38 2.315 5.450 12.980 255 1HB ASN 38 1HB ASN 38 4.027 7.042 14.011 256 2HB ASN 38 2HB ASN 38 4.704 5.621 14.817 257 1HD2 ASN 38 2HD2 ASN 38 4.793 7.549 12.018 258 2HD2 ASN 38 1HD2 ASN 38 5.586 6.405 10.943 259 H VAL 39 H VAL 39 2.302 4.125 16.263 260 HA VAL 39 HA VAL 39 3.462 1.601 15.619 261 HB VAL 39 HB VAL 39 1.550 2.374 17.847 262 1HG1 VAL 39 1HG1 VAL 39 3.123 -0.204 17.401 263 2HG1 VAL 39 2HG1 VAL 39 2.288 0.251 18.902 264 3HG1 VAL 39 3HG1 VAL 39 1.352 -0.057 17.436 265 1HG2 VAL 39 1HG2 VAL 39 3.768 3.474 17.906 266 2HG2 VAL 39 2HG2 VAL 39 3.587 2.285 19.201 267 3HG2 VAL 39 3HG2 VAL 39 4.553 1.889 17.766 268 HA PRO 40 HA PRO 40 -0.787 -0.102 14.343 269 1HB PRO 40 1HB PRO 40 -3.002 1.530 14.170 270 2HB PRO 40 2HB PRO 40 -2.555 0.583 15.617 271 1HG PRO 40 1HG PRO 40 -1.970 3.495 15.065 272 2HG PRO 40 2HG PRO 40 -2.641 2.778 16.553 273 1HD PRO 40 1HD PRO 40 -0.002 3.336 16.411 274 2HD PRO 40 2HD PRO 40 -0.562 1.817 17.150 275 H CYS 41 H CYS 41 -0.181 3.342 13.429 276 HA CYS 41 HA CYS 41 -0.899 2.871 10.631 277 1HB CYS 41 1HB CYS 41 -1.298 5.013 11.507 278 2HB CYS 41 2HB CYS 41 0.350 5.200 12.089 279 H LEU 42 H LEU 42 0.393 0.897 10.616 280 HA LEU 42 HA LEU 42 3.190 0.821 10.806 281 1HB LEU 42 1HB LEU 42 1.223 -1.026 9.430 282 2HB LEU 42 2HB LEU 42 2.909 -1.461 9.711 283 HG LEU 42 HG LEU 42 1.082 -0.742 12.019 284 1HD1 LEU 42 1HD1 LEU 42 1.619 -3.480 10.801 285 2HD1 LEU 42 2HD1 LEU 42 0.755 -3.165 12.321 286 3HD1 LEU 42 3HD1 LEU 42 0.067 -2.613 10.785 287 1HD2 LEU 42 1HD2 LEU 42 3.688 -2.322 11.807 288 2HD2 LEU 42 2HD2 LEU 42 3.487 -0.703 12.512 289 3HD2 LEU 42 3HD2 LEU 42 2.728 -2.095 13.284 290 H VAL 43 H VAL 43 3.117 2.946 9.137 291 HA VAL 43 HA VAL 43 3.222 2.196 6.324 292 HB VAL 43 HB VAL 43 3.735 4.611 5.941 293 1HG1 VAL 43 1HG1 VAL 43 1.507 3.913 7.896 294 2HG1 VAL 43 2HG1 VAL 43 1.690 5.477 7.110 295 3HG1 VAL 43 3HG1 VAL 43 1.456 4.014 6.132 296 1HG2 VAL 43 1HG2 VAL 43 3.940 4.735 9.006 297 2HG2 VAL 43 2HG2 VAL 43 5.236 5.058 7.849 298 3HG2 VAL 43 3HG2 VAL 43 3.837 6.117 7.921 299 H ARG 44 H ARG 44 5.182 0.644 7.748 300 HA ARG 44 HA ARG 44 7.758 1.921 7.796 301 1HB ARG 44 1HB ARG 44 7.047 -1.049 7.685 302 2HB ARG 44 2HB ARG 44 8.687 -0.407 7.786 303 1HG ARG 44 1HG ARG 44 8.330 -0.737 10.005 304 2HG ARG 44 2HG ARG 44 7.810 0.939 9.867 305 1HD ARG 44 1HD ARG 44 5.399 -0.113 9.536 306 2HD ARG 44 2HD ARG 44 6.145 -1.603 10.079 307 HE ARG 44 HE ARG 44 6.100 -0.809 12.222 308 1HH1 ARG 44 1HH1 ARG 44 5.904 2.025 10.076 309 2HH1 ARG 44 2HH1 ARG 44 5.302 3.067 11.359 310 1HH2 ARG 44 1HH2 ARG 44 5.165 0.573 13.801 311 2HH2 ARG 44 2HH2 ARG 44 4.621 2.167 13.326 312 H VAL 45 H VAL 45 6.023 0.272 5.240 313 HA VAL 45 HA VAL 45 8.026 0.065 3.273 314 HB VAL 45 HB VAL 45 6.020 0.534 1.677 315 1HG1 VAL 45 1HG1 VAL 45 6.875 -1.712 2.196 316 2HG1 VAL 45 2HG1 VAL 45 5.912 -1.758 3.690 317 3HG1 VAL 45 3HG1 VAL 45 5.106 -1.721 2.107 318 1HG2 VAL 45 1HG2 VAL 45 4.609 1.722 3.428 319 2HG2 VAL 45 2HG2 VAL 45 3.817 0.399 2.553 320 3HG2 VAL 45 3HG2 VAL 45 4.365 0.148 4.210 321 H CYS 46 H CYS 46 6.291 2.925 4.389 322 HA CYS 46 HA CYS 46 5.837 4.844 3.133 323 1HB CYS 46 1HB CYS 46 7.340 4.994 5.279 324 2HB CYS 46 2HB CYS 46 8.592 5.508 4.171 325 H HIS 47 H HIS 47 6.141 3.716 0.865 326 HA HIS 47 HA HIS 47 8.632 4.727 -0.448 327 1HB HIS 47 1HB HIS 47 8.033 3.479 -2.374 328 2HB HIS 47 2HB HIS 47 8.010 2.439 -0.947 329 HD1 HIS 47 HD1 HIS 47 5.409 4.448 -3.036 330 HD2 HIS 47 HD2 HIS 47 5.815 1.078 -0.550 331 HE1 HIS 47 HE1 HIS 47 3.104 3.494 -2.764 332 H GLN 48 H GLN 48 8.549 6.225 -2.115 333 HA GLN 48 HA GLN 48 6.842 8.404 -2.128 334 1HB GLN 48 1HB GLN 48 8.882 8.470 -3.356 335 2HB GLN 48 2HB GLN 48 8.483 7.014 -4.278 336 1HG GLN 48 1HG GLN 48 6.854 8.081 -5.574 337 2HG GLN 48 2HG GLN 48 6.833 9.538 -4.572 338 1HE2 GLN 48 2HE2 GLN 48 8.735 10.971 -4.577 339 2HE2 GLN 48 1HE2 GLN 48 9.815 10.946 -5.961 340 H ASP 49 H ASP 49 4.834 8.948 -3.010 341 HA ASP 49 HA ASP 49 3.350 7.135 -4.712 342 1HB ASP 49 1HB ASP 49 3.330 5.901 -2.509 343 2HB ASP 49 2HB ASP 49 2.671 7.357 -1.755 344 H CYS 50 H CYS 50 1.048 7.865 -4.808 345 HA CYS 50 HA CYS 50 0.736 10.792 -4.832 346 1HB CYS 50 1HB CYS 50 -0.993 8.434 -5.571 347 2HB CYS 50 2HB CYS 50 -1.595 10.093 -5.587 348 H VAL 51 H VAL 51 0.248 11.829 -2.973 349 HA VAL 51 HA VAL 51 -1.107 10.380 -0.757 350 HB VAL 51 HB VAL 51 1.341 10.910 -0.432 351 1HG1 VAL 51 1HG1 VAL 51 1.338 13.184 -1.481 352 2HG1 VAL 51 2HG1 VAL 51 0.311 13.783 -0.163 353 3HG1 VAL 51 3HG1 VAL 51 1.941 13.207 0.190 354 1HG2 VAL 51 1HG2 VAL 51 -0.204 10.422 1.431 355 2HG2 VAL 51 2HG2 VAL 51 1.074 11.565 1.874 356 3HG2 VAL 51 3HG2 VAL 51 -0.566 12.158 1.574 357 H CYS 52 H CYS 52 -2.458 11.810 0.603 358 HA CYS 52 HA CYS 52 -4.405 12.974 -1.005 359 1HB CYS 52 1HB CYS 52 -4.024 13.568 1.932 360 2HB CYS 52 2HB CYS 52 -5.497 13.686 0.966 361 H GLU 53 H GLU 53 -5.125 14.940 -1.495 362 HA GLU 53 HA GLU 53 -3.451 17.209 -1.766 363 1HB GLU 53 1HB GLU 53 -5.472 16.754 -3.074 364 2HB GLU 53 2HB GLU 53 -6.481 16.898 -1.624 365 1HG GLU 53 1HG GLU 53 -5.873 19.305 -1.455 366 2HG GLU 53 2HG GLU 53 -4.869 19.143 -2.912 367 H GLU 54 H GLU 54 -3.400 19.151 -0.567 368 HA GLU 54 HA GLU 54 -3.247 19.120 2.195 369 1HB GLU 54 1HB GLU 54 -4.071 21.507 0.480 370 2HB GLU 54 2HB GLU 54 -3.401 21.543 2.111 371 1HG GLU 54 1HG GLU 54 -1.501 21.980 0.909 372 2HG GLU 54 2HG GLU 54 -1.364 20.225 1.027 373 H GLY 55 H GLY 55 -4.718 18.949 3.820 374 1HA GLY 55 1HA GLY 55 -6.679 19.503 4.987 375 2HA GLY 55 2HA GLY 55 -7.487 19.973 3.491 376 H PHE 56 H PHE 56 -6.299 17.265 2.339 377 HA PHE 56 HA PHE 56 -8.516 15.550 3.289 378 1HB PHE 56 1HB PHE 56 -6.823 15.446 0.775 379 2HB PHE 56 2HB PHE 56 -7.968 14.211 1.266 380 HD1 PHE 56 HD1 PHE 56 -7.766 17.919 0.537 381 HD2 PHE 56 HD2 PHE 56 -10.114 14.303 0.341 382 HE1 PHE 56 HE1 PHE 56 -9.508 19.109 -0.742 383 HE2 PHE 56 HE2 PHE 56 -11.832 15.484 -0.954 384 HZ PHE 56 HZ PHE 56 -11.563 17.909 -1.476 385 H TYR 57 H TYR 57 -8.085 13.396 3.884 386 HA TYR 57 HA TYR 57 -5.307 12.761 4.728 387 1HB TYR 57 1HB TYR 57 -7.855 12.925 6.383 388 2HB TYR 57 2HB TYR 57 -6.438 12.034 6.904 389 HD1 TYR 57 HD1 TYR 57 -7.746 15.409 6.100 390 HD2 TYR 57 HD2 TYR 57 -4.464 13.181 7.767 391 HE1 TYR 57 HE1 TYR 57 -6.709 17.521 6.839 392 HE2 TYR 57 HE2 TYR 57 -3.352 15.307 8.405 393 HH TYR 57 HH TYR 57 -4.896 18.489 7.925 394 H ARG 58 H ARG 58 -4.892 10.610 4.931 395 HA ARG 58 HA ARG 58 -6.248 8.772 3.179 396 1HB ARG 58 1HB ARG 58 -4.109 8.229 5.292 397 2HB ARG 58 2HB ARG 58 -4.482 7.207 3.913 398 1HG ARG 58 1HG ARG 58 -3.334 10.021 3.714 399 2HG ARG 58 2HG ARG 58 -2.334 8.596 3.856 400 1HD ARG 58 1HD ARG 58 -4.423 8.725 1.649 401 2HD ARG 58 2HD ARG 58 -2.885 9.614 1.524 402 HE ARG 58 HE ARG 58 -2.549 6.812 2.199 403 1HH1 ARG 58 1HH1 ARG 58 -3.286 8.914 -0.524 404 2HH1 ARG 58 2HH1 ARG 58 -1.999 8.327 -1.547 405 1HH2 ARG 58 1HH2 ARG 58 -1.216 5.636 0.629 406 2HH2 ARG 58 2HH2 ARG 58 -0.931 6.348 -0.927 407 H ASN 59 H ASN 59 -8.449 9.143 4.535 408 HA ASN 59 HA ASN 59 -8.570 7.886 7.109 409 1HB ASN 59 1HB ASN 59 -10.265 9.456 6.273 410 2HB ASN 59 2HB ASN 59 -10.804 8.263 5.075 411 1HD2 ASN 59 2HD2 ASN 59 -12.984 8.665 6.290 412 2HD2 ASN 59 1HD2 ASN 59 -13.217 7.696 7.721 413 H LYS 60 H LYS 60 -9.396 5.832 7.666 414 HA LYS 60 HA LYS 60 -9.217 3.611 7.740 415 1HB LYS 60 1HB LYS 60 -10.546 3.600 5.003 416 2HB LYS 60 2HB LYS 60 -10.659 2.410 6.307 417 1HG LYS 60 1HG LYS 60 -11.636 4.340 7.731 418 2HG LYS 60 2HG LYS 60 -11.771 5.231 6.194 419 1HD LYS 60 1HD LYS 60 -13.126 3.346 5.253 420 2HD LYS 60 2HD LYS 60 -13.105 2.570 6.845 421 1HE LYS 60 1HE LYS 60 -14.260 5.330 6.193 422 2HE LYS 60 2HE LYS 60 -15.193 3.853 6.481 423 1HZ LYS 60 1HZ LYS 60 -14.298 3.799 8.702 424 2HZ LYS 60 2HZ LYS 60 -13.461 5.193 8.438 425 3HZ LYS 60 3HZ LYS 60 -15.108 5.206 8.420 426 H ASP 61 H ASP 61 -8.614 4.050 4.272 427 HA ASP 61 HA ASP 61 -5.934 2.983 4.335 428 1HB ASP 61 1HB ASP 61 -7.177 0.843 4.487 429 2HB ASP 61 2HB ASP 61 -8.159 1.316 3.083 430 H ASP 62 H ASP 62 -5.473 4.898 3.263 431 HA ASP 62 HA ASP 62 -5.542 6.579 1.771 432 1HB ASP 62 1HB ASP 62 -4.177 4.872 0.616 433 2HB ASP 62 2HB ASP 62 -5.631 4.273 -0.202 434 H LYS 63 H LYS 63 -8.176 6.201 2.814 435 HA LYS 63 HA LYS 63 -9.864 6.813 0.426 436 1HB LYS 63 1HB LYS 63 -10.679 6.832 3.340 437 2HB LYS 63 2HB LYS 63 -11.707 6.915 1.920 438 1HG LYS 63 1HG LYS 63 -9.980 4.524 2.710 439 2HG LYS 63 2HG LYS 63 -11.704 4.711 3.050 440 1HD LYS 63 1HD LYS 63 -12.187 4.746 0.615 441 2HD LYS 63 2HD LYS 63 -10.450 4.659 0.260 442 1HE LYS 63 1HE LYS 63 -11.442 2.458 -0.002 443 2HE LYS 63 2HE LYS 63 -10.268 2.464 1.320 444 1HZ LYS 63 1HZ LYS 63 -13.186 2.652 1.631 445 2HZ LYS 63 2HZ LYS 63 -12.278 1.299 1.879 446 3HZ LYS 63 3HZ LYS 63 -12.084 2.608 2.858 447 H CYS 64 H CYS 64 -8.471 8.645 -0.176 448 HA CYS 64 HA CYS 64 -7.789 10.670 1.716 449 1HB CYS 64 1HB CYS 64 -7.830 10.815 -1.308 450 2HB CYS 64 2HB CYS 64 -7.397 12.149 -0.242 451 H VAL 65 H VAL 65 -9.442 11.431 2.902 452 HA VAL 65 HA VAL 65 -11.670 12.884 1.496 453 HB VAL 65 HB VAL 65 -13.087 12.276 3.398 454 1HG1 VAL 65 1HG1 VAL 65 -13.128 10.909 1.347 455 2HG1 VAL 65 2HG1 VAL 65 -11.914 9.817 2.042 456 3HG1 VAL 65 3HG1 VAL 65 -13.510 9.962 2.797 457 1HG2 VAL 65 1HG2 VAL 65 -10.694 10.609 4.301 458 2HG2 VAL 65 2HG2 VAL 65 -11.486 11.912 5.192 459 3HG2 VAL 65 3HG2 VAL 65 -12.328 10.385 4.905 460 H SER 66 H SER 66 -12.263 14.897 2.402 461 HA SER 66 HA SER 66 -10.442 16.531 3.632 462 1HB SER 66 1HB SER 66 -13.442 16.653 4.042 463 2HB SER 66 2HB SER 66 -12.293 18.000 3.900 464 HG SER 66 HG SER 66 -11.886 17.197 1.713 465 H ALA 67 H ALA 67 -9.748 16.828 5.714 466 HA ALA 67 HA ALA 67 -9.498 15.124 7.682 467 1HB ALA 67 1HB ALA 67 -8.696 17.496 7.738 468 2HB ALA 67 2HB ALA 67 -10.286 18.020 8.275 469 3HB ALA 67 3HB ALA 67 -9.316 16.947 9.301 470 H GLU 68 H GLU 68 -12.202 17.304 7.762 471 HA GLU 68 HA GLU 68 -13.980 16.786 9.584 472 1HB GLU 68 1HB GLU 68 -14.802 16.535 6.660 473 2HB GLU 68 2HB GLU 68 -15.712 17.231 8.004 474 1HG GLU 68 1HG GLU 68 -13.920 19.044 8.149 475 2HG GLU 68 2HG GLU 68 -13.200 18.396 6.664 476 H ASP 69 H ASP 69 -13.728 14.485 6.809 477 HA ASP 69 HA ASP 69 -15.634 12.617 8.029 478 1HB ASP 69 1HB ASP 69 -15.437 12.894 5.556 479 2HB ASP 69 2HB ASP 69 -13.780 12.267 5.640 480 H CYS 70 H CYS 70 -12.124 12.884 7.574 481 HA CYS 70 HA CYS 70 -11.356 10.273 8.330 482 1HB CYS 70 1HB CYS 70 -9.267 11.008 8.058 483 2HB CYS 70 2HB CYS 70 -10.022 12.459 7.420 484 H GLU 71 H GLU 71 -11.949 13.190 10.282 485 HA GLU 71 HA GLU 71 -11.173 12.299 12.763 486 1HB GLU 71 1HB GLU 71 -13.771 13.816 12.303 487 2HB GLU 71 2HB GLU 71 -12.797 13.785 13.773 488 1HG GLU 71 1HG GLU 71 -12.209 15.176 11.157 489 2HG GLU 71 2HG GLU 71 -12.385 15.874 12.754 490 H LEU 72 H LEU 72 -13.997 11.066 10.998 491 HA LEU 72 HA LEU 72 -15.370 9.901 13.226 492 1HB LEU 72 1HB LEU 72 -15.147 8.945 10.346 493 2HB LEU 72 2HB LEU 72 -16.332 8.374 11.520 494 HG LEU 72 HG LEU 72 -16.145 11.280 10.581 495 1HD1 LEU 72 1HD1 LEU 72 -16.729 9.758 8.729 496 2HD1 LEU 72 2HD1 LEU 72 -18.039 9.062 9.707 497 3HD1 LEU 72 3HD1 LEU 72 -18.106 10.766 9.203 498 1HD2 LEU 72 1HD2 LEU 72 -18.267 9.781 12.182 499 2HD2 LEU 72 2HD2 LEU 72 -17.224 11.093 12.779 500 3HD2 LEU 72 3HD2 LEU 72 -18.435 11.427 11.538 501 H ASP 73 H ASP 73 -12.552 8.829 11.327 502 HA ASP 73 HA ASP 73 -12.479 6.179 12.631 503 1HB ASP 73 1HB ASP 73 -11.882 6.424 10.261 504 2HB ASP 73 2HB ASP 73 -10.600 7.578 10.682 505 H ASN 74 H ASN 74 -12.563 7.693 14.678 506 HA ASN 74 HA ASN 74 -10.278 9.232 15.324 507 1HB ASN 74 1HB ASN 74 -11.273 9.737 17.295 508 2HB ASN 74 2HB ASN 74 -12.670 9.334 16.310 509 1HD2 ASN 74 2HD2 ASN 74 -11.334 8.936 19.337 510 2HD2 ASN 74 1HD2 ASN 74 -12.225 7.496 19.819 511 H MET 75 H MET 75 -11.188 5.980 16.468 512 HA MET 75 HA MET 75 -10.145 4.373 17.540 513 1HB MET 75 1HB MET 75 -7.921 3.627 16.760 514 2HB MET 75 2HB MET 75 -9.178 3.754 15.528 515 1HG MET 75 1HG MET 75 -8.216 5.790 14.646 516 2HG MET 75 2HG MET 75 -6.994 5.822 15.933 517 1HE MET 75 1HE MET 75 -6.522 6.012 12.744 518 2HE MET 75 2HE MET 75 -5.226 6.174 13.960 519 3HE MET 75 3HE MET 75 -5.034 5.044 12.598 520 H ASP 76 H ASP 76 -10.545 6.010 19.182 521 HA ASP 76 HA ASP 76 -10.094 6.348 21.360 522 1HB ASP 76 1HB ASP 76 -8.583 4.428 21.272 523 2HB ASP 76 2HB ASP 76 -7.232 5.487 20.840 524 H PHE 77 H PHE 77 -7.556 7.595 19.167 525 HA PHE 77 HA PHE 77 -7.003 10.003 20.598 526 1HB PHE 77 1HB PHE 77 -7.145 9.727 17.596 527 2HB PHE 77 2HB PHE 77 -6.104 10.799 18.535 528 HD1 PHE 77 HD1 PHE 77 -4.754 9.140 20.482 529 HD2 PHE 77 HD2 PHE 77 -5.981 8.042 16.494 530 HE1 PHE 77 HE1 PHE 77 -3.163 7.252 20.508 531 HE2 PHE 77 HE2 PHE 77 -4.381 6.156 16.527 532 HZ PHE 77 HZ PHE 77 -2.984 5.739 18.543 533 H ILE 78 H ILE 78 -7.684 12.235 19.652 534 HA ILE 78 HA ILE 78 -9.298 13.785 19.360 535 HB ILE 78 HB ILE 78 -11.330 11.683 18.526 536 1HG1 ILE 78 1HG1 ILE 78 -9.317 13.314 16.915 537 2HG1 ILE 78 2HG1 ILE 78 -9.456 11.552 17.001 538 1HG2 ILE 78 1HG2 ILE 78 -12.310 13.795 19.321 539 2HG2 ILE 78 2HG2 ILE 78 -11.327 14.688 18.165 540 3HG2 ILE 78 3HG2 ILE 78 -12.558 13.544 17.606 541 1HD1 ILE 78 1HD1 ILE 78 -11.767 11.776 15.996 542 2HD1 ILE 78 2HD1 ILE 78 -11.359 13.477 15.660 543 3HD1 ILE 78 3HD1 ILE 78 -10.393 12.176 14.940 544 H TYR 79 H TYR 79 -8.770 13.797 21.607 545 HA TYR 79 HA TYR 79 -10.802 12.794 23.506 546 1HB TYR 79 1HB TYR 79 -8.360 14.575 23.906 547 2HB TYR 79 2HB TYR 79 -9.249 13.746 25.168 548 HD1 TYR 79 HD1 TYR 79 -9.507 11.054 24.686 549 HD2 TYR 79 HD2 TYR 79 -6.357 13.573 23.164 550 HE1 TYR 79 HE1 TYR 79 -8.145 9.059 24.206 551 HE2 TYR 79 HE2 TYR 79 -5.025 11.557 22.616 552 HH TYR 79 HH TYR 79 -6.291 8.246 23.104 553 HA PRO 80 HA PRO 80 -12.958 16.748 23.223 554 1HB PRO 80 1HB PRO 80 -13.519 17.461 25.817 555 2HB PRO 80 2HB PRO 80 -14.354 16.147 24.943 556 1HG PRO 80 1HG PRO 80 -12.013 15.895 26.833 557 2HG PRO 80 2HG PRO 80 -13.533 14.960 26.867 558 1HD PRO 80 1HD PRO 80 -11.327 13.936 25.716 559 2HD PRO 80 2HD PRO 80 -12.901 13.730 24.910 560 H GLY 81 H GLY 81 -10.948 17.583 22.326 561 1HA GLY 81 1HA GLY 81 -9.615 19.477 22.124 562 2HA GLY 81 2HA GLY 81 -9.887 19.898 23.823 563 H THR 82 H THR 82 -9.140 17.946 25.278 564 HA THR 82 HA THR 82 -6.662 16.612 24.503 565 HB THR 82 HB THR 82 -6.465 18.756 26.663 566 HG1 THR 82 HG1 THR 82 -6.076 18.900 23.911 567 1HG2 THR 82 1HG2 THR 82 -4.347 17.121 25.196 568 2HG2 THR 82 2HG2 THR 82 -4.025 18.431 26.348 569 3HG2 THR 82 3HG2 THR 82 -4.807 16.942 26.902 570 H ARG 83 H ARG 83 -9.148 17.379 26.931 571 HA ARG 83 HA ARG 83 -8.005 15.832 29.028 572 1HB ARG 83 1HB ARG 83 -9.536 17.769 29.297 573 2HB ARG 83 2HB ARG 83 -10.856 16.786 28.653 574 1HG ARG 83 1HG ARG 83 -10.467 15.163 30.578 575 2HG ARG 83 2HG ARG 83 -9.230 16.261 31.191 576 1HD ARG 83 1HD ARG 83 -11.397 16.608 32.354 577 2HD ARG 83 2HD ARG 83 -10.882 18.044 31.472 578 HE ARG 83 HE ARG 83 -12.728 17.923 30.153 579 1HH1 ARG 83 1HH1 ARG 83 -12.282 14.746 31.624 580 2HH1 ARG 83 2HH1 ARG 83 -13.761 14.080 30.985 581 1HH2 ARG 83 1HH2 ARG 83 -14.643 17.072 29.291 582 2HH2 ARG 83 2HH2 ARG 83 -15.127 15.433 29.630 583 H ASN 84 H ASN 84 -7.553 13.871 27.727 584 HA ASN 84 HA ASN 84 -9.319 11.922 26.907 585 1HB ASN 84 1HB ASN 84 -6.960 11.537 26.832 586 2HB ASN 84 2HB ASN 84 -6.802 11.688 28.586 587 1HD2 ASN 84 2HD2 ASN 84 -7.974 10.033 29.947 588 2HD2 ASN 84 1HD2 ASN 84 -8.073 8.398 29.304 589 HA PRO 85 HA PRO 85 -11.717 11.700 30.758 590 1HB PRO 85 1HB PRO 85 -13.738 10.035 29.982 591 2HB PRO 85 2HB PRO 85 -13.611 11.729 29.423 592 1HG PRO 85 1HG PRO 85 -12.678 9.238 27.971 593 2HG PRO 85 2HG PRO 85 -13.686 10.565 27.324 594 1HD PRO 85 1HD PRO 85 -10.999 10.457 26.927 595 2HD PRO 85 2HD PRO 85 -11.818 12.026 27.202 Start of MODEL 10 1 1H LYS 1 1H LYS 1 -6.228 17.480 -7.333 2 2H LYS 1 2H LYS 1 -6.663 16.800 -5.884 3 3H LYS 1 3H LYS 1 -5.412 17.877 -5.962 4 HA LYS 1 HA LYS 1 -4.476 15.794 -5.742 5 1HB LYS 1 1HB LYS 1 -4.884 14.006 -7.346 6 2HB LYS 1 2HB LYS 1 -6.361 14.454 -6.493 7 1HG LYS 1 1HG LYS 1 -7.131 15.746 -8.448 8 2HG LYS 1 2HG LYS 1 -5.659 15.316 -9.335 9 1HD LYS 1 1HD LYS 1 -7.698 13.308 -8.252 10 2HD LYS 1 2HD LYS 1 -7.636 13.909 -9.919 11 1HE LYS 1 1HE LYS 1 -5.288 12.994 -10.112 12 2HE LYS 1 2HE LYS 1 -5.481 12.265 -8.506 13 1HZ LYS 1 1HZ LYS 1 -7.203 11.674 -10.792 14 2HZ LYS 1 2HZ LYS 1 -5.931 10.761 -10.262 15 3HZ LYS 1 3HZ LYS 1 -7.248 10.967 -9.293 16 H ALA 2 H ALA 2 -2.651 14.951 -7.083 17 HA ALA 2 HA ALA 2 -1.601 17.051 -8.909 18 1HB ALA 2 1HB ALA 2 -0.344 14.510 -7.835 19 2HB ALA 2 2HB ALA 2 0.442 15.644 -8.952 20 3HB ALA 2 3HB ALA 2 -0.020 16.186 -7.330 21 H THR 3 H THR 3 -0.790 16.404 -11.074 22 HA THR 3 HA THR 3 -2.949 15.244 -12.522 23 HB THR 3 HB THR 3 -1.219 15.801 -14.412 24 HG1 THR 3 HG1 THR 3 0.453 17.160 -13.616 25 1HG2 THR 3 1HG2 THR 3 -2.146 17.977 -12.469 26 2HG2 THR 3 2HG2 THR 3 -1.647 18.229 -14.155 27 3HG2 THR 3 3HG2 THR 3 -3.105 17.289 -13.797 28 H MET 4 H MET 4 0.107 13.943 -11.385 29 HA MET 4 HA MET 4 0.382 11.978 -13.489 30 1HB MET 4 1HB MET 4 1.803 12.230 -10.814 31 2HB MET 4 2HB MET 4 2.278 11.180 -12.165 32 1HG MET 4 1HG MET 4 2.396 13.266 -13.619 33 2HG MET 4 2HG MET 4 2.240 14.221 -12.142 34 1HE MET 4 1HE MET 4 4.040 14.106 -10.149 35 2HE MET 4 2HE MET 4 4.055 12.321 -10.148 36 3HE MET 4 3HE MET 4 5.580 13.222 -10.275 37 H GLN 5 H GLN 5 -1.939 11.378 -13.081 38 HA GLN 5 HA GLN 5 -3.554 10.033 -12.562 39 1HB GLN 5 1HB GLN 5 -3.143 7.596 -12.320 40 2HB GLN 5 2HB GLN 5 -2.572 8.424 -13.759 41 1HG GLN 5 1HG GLN 5 -0.959 6.866 -13.331 42 2HG GLN 5 2HG GLN 5 -0.213 8.361 -12.817 43 1HE2 GLN 5 2HE2 GLN 5 0.562 8.401 -10.652 44 2HE2 GLN 5 1HE2 GLN 5 0.354 7.037 -9.548 45 H CYS 6 H CYS 6 -1.217 9.147 -10.027 46 HA CYS 6 HA CYS 6 -1.384 8.834 -7.845 47 1HB CYS 6 1HB CYS 6 -3.216 11.252 -8.077 48 2HB CYS 6 2HB CYS 6 -2.448 10.642 -6.611 49 H GLY 7 H GLY 7 -4.825 9.621 -8.555 50 1HA GLY 7 1HA GLY 7 -6.235 7.506 -8.373 51 2HA GLY 7 2HA GLY 7 -5.668 7.411 -6.702 52 H GLU 8 H GLU 8 -6.647 8.674 -5.157 53 HA GLU 8 HA GLU 8 -9.133 10.068 -5.908 54 1HB GLU 8 1HB GLU 8 -7.910 9.604 -3.161 55 2HB GLU 8 2HB GLU 8 -9.589 10.069 -3.547 56 1HG GLU 8 1HG GLU 8 -9.866 7.867 -4.705 57 2HG GLU 8 2HG GLU 8 -8.264 7.393 -4.111 58 H ASN 9 H ASN 9 -8.749 11.834 -3.418 59 HA ASN 9 HA ASN 9 -7.551 14.162 -4.665 60 1HB ASN 9 1HB ASN 9 -8.403 13.676 -1.788 61 2HB ASN 9 2HB ASN 9 -7.940 15.226 -2.495 62 1HD2 ASN 9 2HD2 ASN 9 -10.599 13.376 -1.667 63 2HD2 ASN 9 1HD2 ASN 9 -11.756 14.074 -2.797 64 H GLU 10 H GLU 10 -5.532 12.808 -5.121 65 HA GLU 10 HA GLU 10 -3.684 12.651 -2.794 66 1HB GLU 10 1HB GLU 10 -4.074 10.914 -5.239 67 2HB GLU 10 2HB GLU 10 -2.623 10.810 -4.201 68 1HG GLU 10 1HG GLU 10 -4.036 10.278 -2.268 69 2HG GLU 10 2HG GLU 10 -5.493 10.421 -3.271 70 H LYS 11 H LYS 11 -1.753 13.620 -2.902 71 HA LYS 11 HA LYS 11 -1.048 15.155 -5.370 72 1HB LYS 11 1HB LYS 11 -1.628 16.512 -3.409 73 2HB LYS 11 2HB LYS 11 -0.370 15.699 -2.457 74 1HG LYS 11 1HG LYS 11 1.369 16.621 -3.926 75 2HG LYS 11 2HG LYS 11 0.132 17.332 -4.990 76 1HD LYS 11 1HD LYS 11 -0.641 18.790 -3.180 77 2HD LYS 11 2HD LYS 11 0.483 18.024 -2.036 78 1HE LYS 11 1HE LYS 11 2.410 18.818 -3.345 79 2HE LYS 11 2HE LYS 11 1.324 19.538 -4.550 80 1HZ LYS 11 1HZ LYS 11 1.462 20.313 -1.715 81 2HZ LYS 11 2HZ LYS 11 2.132 21.138 -2.976 82 3HZ LYS 11 3HZ LYS 11 0.495 20.992 -2.864 83 H TYR 12 H TYR 12 1.073 14.919 -6.127 84 HA TYR 12 HA TYR 12 2.492 12.514 -5.510 85 1HB TYR 12 1HB TYR 12 2.555 13.704 -7.697 86 2HB TYR 12 2HB TYR 12 3.528 14.970 -6.941 87 HD1 TYR 12 HD1 TYR 12 3.375 11.279 -7.595 88 HD2 TYR 12 HD2 TYR 12 5.927 14.640 -6.718 89 HE1 TYR 12 HE1 TYR 12 5.354 9.830 -7.839 90 HE2 TYR 12 HE2 TYR 12 7.919 13.187 -7.010 91 HH TYR 12 HH TYR 12 7.603 9.690 -7.352 92 H ASP 13 H ASP 13 4.155 12.175 -4.021 93 HA ASP 13 HA ASP 13 5.290 14.491 -2.548 94 1HB ASP 13 1HB ASP 13 3.379 13.814 -1.171 95 2HB ASP 13 2HB ASP 13 3.834 12.103 -1.336 96 H SER 14 H SER 14 7.390 14.013 -1.784 97 HA SER 14 HA SER 14 8.747 11.860 -3.123 98 1HB SER 14 1HB SER 14 9.783 13.663 -0.916 99 2HB SER 14 2HB SER 14 10.714 12.820 -2.168 100 HG SER 14 HG SER 14 9.532 14.132 -3.714 101 H CYS 15 H CYS 15 6.800 10.519 -1.601 102 HA CYS 15 HA CYS 15 8.453 8.811 -0.067 103 1HB CYS 15 1HB CYS 15 7.731 10.900 1.484 104 2HB CYS 15 2HB CYS 15 6.267 9.943 1.676 105 H GLY 16 H GLY 16 6.797 7.226 1.244 106 1HA GLY 16 1HA GLY 16 5.738 5.723 -0.878 107 2HA GLY 16 2HA GLY 16 5.569 5.355 0.842 108 H SER 17 H SER 17 3.682 5.110 -1.477 109 HA SER 17 HA SER 17 1.864 6.946 -1.836 110 1HB SER 17 1HB SER 17 1.027 4.051 -1.642 111 2HB SER 17 2HB SER 17 0.640 5.264 -2.887 112 HG SER 17 HG SER 17 2.265 3.792 -3.593 113 H LYS 18 H LYS 18 1.707 4.752 0.973 114 HA LYS 18 HA LYS 18 -0.159 6.678 2.218 115 1HB LYS 18 1HB LYS 18 -0.716 3.671 2.305 116 2HB LYS 18 2HB LYS 18 -1.483 4.941 3.271 117 1HG LYS 18 1HG LYS 18 -3.066 4.699 1.660 118 2HG LYS 18 2HG LYS 18 -2.114 6.035 1.022 119 1HD LYS 18 1HD LYS 18 -0.824 4.110 -0.286 120 2HD LYS 18 2HD LYS 18 -2.171 3.094 0.176 121 1HE LYS 18 1HE LYS 18 -2.317 4.077 -2.134 122 2HE LYS 18 2HE LYS 18 -3.720 4.431 -1.128 123 1HZ LYS 18 1HZ LYS 18 -1.471 6.306 -1.453 124 2HZ LYS 18 2HZ LYS 18 -2.816 6.331 -2.413 125 3HZ LYS 18 3HZ LYS 18 -2.949 6.599 -0.800 126 H GLU 19 H GLU 19 2.499 6.742 2.429 127 HA GLU 19 HA GLU 19 3.392 5.238 4.719 128 1HB GLU 19 1HB GLU 19 4.776 6.278 2.946 129 2HB GLU 19 2HB GLU 19 4.533 7.868 3.672 130 1HG GLU 19 1HG GLU 19 5.875 7.345 5.537 131 2HG GLU 19 2HG GLU 19 5.505 5.612 5.450 132 H CYS 20 H CYS 20 4.251 6.827 6.655 133 HA CYS 20 HA CYS 20 1.747 7.270 7.967 134 1HB CYS 20 1HB CYS 20 4.334 7.807 9.368 135 2HB CYS 20 2HB CYS 20 2.827 7.098 9.941 136 H ASP 21 H ASP 21 1.406 9.076 6.299 137 HA ASP 21 HA ASP 21 2.165 11.764 7.310 138 1HB ASP 21 1HB ASP 21 2.316 11.159 4.875 139 2HB ASP 21 2HB ASP 21 0.576 10.917 4.844 140 H LYS 22 H LYS 22 -0.223 13.088 6.808 141 HA LYS 22 HA LYS 22 -1.518 12.984 9.183 142 1HB LYS 22 1HB LYS 22 -2.541 13.904 6.486 143 2HB LYS 22 2HB LYS 22 -3.332 14.270 8.015 144 1HG LYS 22 1HG LYS 22 -1.439 15.433 8.880 145 2HG LYS 22 2HG LYS 22 -0.435 15.066 7.482 146 1HD LYS 22 1HD LYS 22 -3.067 16.524 7.075 147 2HD LYS 22 2HD LYS 22 -1.681 17.389 7.739 148 1HE LYS 22 1HE LYS 22 -1.723 17.732 5.355 149 2HE LYS 22 2HE LYS 22 -0.290 16.795 5.790 150 1HZ LYS 22 1HZ LYS 22 -2.778 15.661 4.702 151 2HZ LYS 22 2HZ LYS 22 -1.397 15.943 3.848 152 3HZ LYS 22 3HZ LYS 22 -1.397 14.835 5.058 153 H LYS 23 H LYS 23 -2.198 11.058 10.006 154 HA LYS 23 HA LYS 23 -4.332 9.445 8.777 155 1HB LYS 23 1HB LYS 23 -3.323 9.517 11.663 156 2HB LYS 23 2HB LYS 23 -4.303 8.260 10.904 157 1HG LYS 23 1HG LYS 23 -1.381 8.910 10.361 158 2HG LYS 23 2HG LYS 23 -2.081 7.461 11.095 159 1HD LYS 23 1HD LYS 23 -3.336 7.135 8.823 160 2HD LYS 23 2HD LYS 23 -2.294 8.444 8.228 161 1HE LYS 23 1HE LYS 23 -1.198 6.354 7.641 162 2HE LYS 23 2HE LYS 23 -0.287 7.113 8.956 163 1HZ LYS 23 1HZ LYS 23 -1.541 5.634 10.472 164 2HZ LYS 23 2HZ LYS 23 -2.147 4.844 9.155 165 3HZ LYS 23 3HZ LYS 23 -0.532 4.858 9.438 166 H CYS 24 H CYS 24 -6.428 9.210 9.835 167 HA CYS 24 HA CYS 24 -7.574 11.766 10.755 168 1HB CYS 24 1HB CYS 24 -9.069 10.463 9.469 169 2HB CYS 24 2HB CYS 24 -8.628 8.966 10.319 170 H LYS 25 H LYS 25 -7.967 12.253 12.863 171 HA LYS 25 HA LYS 25 -6.874 10.692 15.048 172 1HB LYS 25 1HB LYS 25 -7.981 12.498 16.452 173 2HB LYS 25 2HB LYS 25 -6.704 12.949 15.337 174 1HG LYS 25 1HG LYS 25 -8.286 14.670 15.311 175 2HG LYS 25 2HG LYS 25 -8.299 13.911 13.746 176 1HD LYS 25 1HD LYS 25 -10.547 14.387 14.259 177 2HD LYS 25 2HD LYS 25 -10.427 12.646 14.535 178 1HE LYS 25 1HE LYS 25 -10.263 13.014 16.964 179 2HE LYS 25 2HE LYS 25 -10.228 14.771 16.722 180 1HZ LYS 25 1HZ LYS 25 -12.450 13.010 15.975 181 2HZ LYS 25 2HZ LYS 25 -12.394 13.973 17.312 182 3HZ LYS 25 3HZ LYS 25 -12.413 14.649 15.810 183 H TYR 26 H TYR 26 -8.345 8.850 13.873 184 HA TYR 26 HA TYR 26 -11.073 8.668 14.845 185 1HB TYR 26 1HB TYR 26 -9.067 6.720 13.665 186 2HB TYR 26 2HB TYR 26 -10.579 6.140 14.308 187 HD1 TYR 26 HD1 TYR 26 -12.637 8.017 13.351 188 HD2 TYR 26 HD2 TYR 26 -9.151 6.410 11.360 189 HE1 TYR 26 HE1 TYR 26 -13.759 8.258 11.191 190 HE2 TYR 26 HE2 TYR 26 -10.301 6.674 9.188 191 HH TYR 26 HH TYR 26 -13.671 7.599 8.907 192 H ASP 27 H ASP 27 -7.924 7.523 15.938 193 HA ASP 27 HA ASP 27 -7.217 6.254 17.624 194 1HB ASP 27 1HB ASP 27 -7.369 8.426 18.709 195 2HB ASP 27 2HB ASP 27 -8.988 8.069 19.305 196 H GLY 28 H GLY 28 -10.311 6.560 19.339 197 1HA GLY 28 1HA GLY 28 -10.729 3.855 19.871 198 2HA GLY 28 2HA GLY 28 -12.015 5.077 19.684 199 H VAL 29 H VAL 29 -11.886 5.760 17.044 200 HA VAL 29 HA VAL 29 -13.241 3.466 15.879 201 HB VAL 29 HB VAL 29 -12.700 6.290 14.932 202 1HG1 VAL 29 1HG1 VAL 29 -14.242 4.084 13.508 203 2HG1 VAL 29 2HG1 VAL 29 -14.471 5.817 13.185 204 3HG1 VAL 29 3HG1 VAL 29 -12.916 5.064 12.853 205 1HG2 VAL 29 1HG2 VAL 29 -14.267 6.027 16.799 206 2HG2 VAL 29 2HG2 VAL 29 -15.110 6.530 15.332 207 3HG2 VAL 29 3HG2 VAL 29 -15.201 4.841 15.867 208 H GLU 30 H GLU 30 -9.962 3.914 16.165 209 HA GLU 30 HA GLU 30 -9.565 2.045 13.895 210 1HB GLU 30 1HB GLU 30 -7.404 3.006 13.388 211 2HB GLU 30 2HB GLU 30 -8.689 4.192 13.146 212 1HG GLU 30 1HG GLU 30 -8.158 5.099 15.444 213 2HG GLU 30 2HG GLU 30 -6.731 4.043 15.477 214 H GLU 31 H GLU 31 -10.130 1.819 16.881 215 HA GLU 31 HA GLU 31 -7.730 0.620 17.973 216 1HB GLU 31 1HB GLU 31 -9.077 -0.110 19.757 217 2HB GLU 31 2HB GLU 31 -9.659 1.494 19.308 218 1HG GLU 31 1HG GLU 31 -11.520 0.290 17.981 219 2HG GLU 31 2HG GLU 31 -10.968 -1.195 18.756 220 H GLU 32 H GLU 32 -10.279 -0.334 15.813 221 HA GLU 32 HA GLU 32 -9.714 -3.165 15.708 222 1HB GLU 32 1HB GLU 32 -10.988 -3.044 13.575 223 2HB GLU 32 2HB GLU 32 -11.869 -2.484 14.991 224 1HG GLU 32 1HG GLU 32 -10.448 -0.407 13.304 225 2HG GLU 32 2HG GLU 32 -11.901 -1.170 12.667 226 H ASP 33 H ASP 33 -7.324 -2.493 15.838 227 HA ASP 33 HA ASP 33 -5.845 -1.687 13.573 228 1HB ASP 33 1HB ASP 33 -3.957 -2.476 14.743 229 2HB ASP 33 2HB ASP 33 -5.090 -1.895 15.978 230 H ASP 34 H ASP 34 -7.555 -4.604 14.214 231 HA ASP 34 HA ASP 34 -6.562 -6.572 12.588 232 1HB ASP 34 1HB ASP 34 -9.460 -5.617 12.645 233 2HB ASP 34 2HB ASP 34 -8.888 -7.237 12.232 234 H GLU 35 H GLU 35 -7.949 -3.452 11.571 235 HA GLU 35 HA GLU 35 -8.056 -4.002 8.729 236 1HB GLU 35 1HB GLU 35 -7.681 -1.432 10.324 237 2HB GLU 35 2HB GLU 35 -7.989 -1.501 8.583 238 1HG GLU 35 1HG GLU 35 -9.891 -2.541 10.748 239 2HG GLU 35 2HG GLU 35 -10.037 -1.003 9.897 240 H GLU 36 H GLU 36 -6.060 -5.296 8.729 241 HA GLU 36 HA GLU 36 -3.602 -4.595 9.441 242 1HB GLU 36 1HB GLU 36 -4.153 -6.137 6.875 243 2HB GLU 36 2HB GLU 36 -2.647 -6.103 7.798 244 1HG GLU 36 1HG GLU 36 -3.956 -6.980 9.800 245 2HG GLU 36 2HG GLU 36 -5.327 -7.230 8.704 246 HA PRO 37 HA PRO 37 -2.165 -2.108 5.794 247 1HB PRO 37 1HB PRO 37 -3.593 -1.370 3.688 248 2HB PRO 37 2HB PRO 37 -3.102 -3.077 3.939 249 1HG PRO 37 1HG PRO 37 -5.792 -1.813 4.591 250 2HG PRO 37 2HG PRO 37 -5.498 -3.321 3.680 251 1HD PRO 37 1HD PRO 37 -6.044 -3.218 6.388 252 2HD PRO 37 2HD PRO 37 -5.071 -4.516 5.641 253 H ASN 38 H ASN 38 -1.719 0.047 5.789 254 HA ASN 38 HA ASN 38 -1.809 2.231 6.017 255 1HB ASN 38 1HB ASN 38 -3.363 2.154 4.229 256 2HB ASN 38 2HB ASN 38 -4.717 1.920 5.312 257 1HD2 ASN 38 2HD2 ASN 38 -2.693 4.321 6.828 258 2HD2 ASN 38 1HD2 ASN 38 -3.563 5.681 6.149 259 H VAL 39 H VAL 39 -4.605 0.915 7.945 260 HA VAL 39 HA VAL 39 -4.546 2.948 9.894 261 HB VAL 39 HB VAL 39 -5.297 0.021 10.175 262 1HG1 VAL 39 1HG1 VAL 39 -5.535 2.295 12.186 263 2HG1 VAL 39 2HG1 VAL 39 -6.411 0.752 12.303 264 3HG1 VAL 39 3HG1 VAL 39 -4.651 0.772 12.415 265 1HG2 VAL 39 1HG2 VAL 39 -6.886 2.591 9.954 266 2HG2 VAL 39 2HG2 VAL 39 -6.744 1.317 8.716 267 3HG2 VAL 39 3HG2 VAL 39 -7.574 0.983 10.240 268 HA PRO 40 HA PRO 40 -0.905 0.990 12.213 269 1HB PRO 40 1HB PRO 40 0.231 -1.384 11.559 270 2HB PRO 40 2HB PRO 40 -1.337 -1.318 12.398 271 1HG PRO 40 1HG PRO 40 -0.930 -1.526 9.376 272 2HG PRO 40 2HG PRO 40 -1.830 -2.659 10.431 273 1HD PRO 40 1HD PRO 40 -3.107 -0.679 9.148 274 2HD PRO 40 2HD PRO 40 -3.513 -1.070 10.846 275 H CYS 41 H CYS 41 -0.947 2.624 9.850 276 HA CYS 41 HA CYS 41 0.125 3.483 8.100 277 1HB CYS 41 1HB CYS 41 1.549 4.297 9.862 278 2HB CYS 41 2HB CYS 41 2.572 2.853 9.767 279 H LEU 42 H LEU 42 2.272 0.697 8.801 280 HA LEU 42 HA LEU 42 3.005 -0.988 7.611 281 1HB LEU 42 1HB LEU 42 0.628 -1.407 7.202 282 2HB LEU 42 2HB LEU 42 0.685 -0.440 5.724 283 HG LEU 42 HG LEU 42 2.312 -2.018 4.721 284 1HD1 LEU 42 1HD1 LEU 42 1.819 -3.631 7.270 285 2HD1 LEU 42 2HD1 LEU 42 2.561 -4.276 5.790 286 3HD1 LEU 42 3HD1 LEU 42 3.381 -3.004 6.693 287 1HD2 LEU 42 1HD2 LEU 42 -0.135 -2.241 4.357 288 2HD2 LEU 42 2HD2 LEU 42 0.707 -3.799 4.298 289 3HD2 LEU 42 3HD2 LEU 42 -0.217 -3.357 5.746 290 H VAL 43 H VAL 43 2.154 1.535 5.197 291 HA VAL 43 HA VAL 43 4.178 0.584 3.353 292 HB VAL 43 HB VAL 43 2.503 3.106 3.153 293 1HG1 VAL 43 1HG1 VAL 43 3.717 1.289 1.024 294 2HG1 VAL 43 2HG1 VAL 43 2.660 2.675 0.710 295 3HG1 VAL 43 3HG1 VAL 43 4.253 2.939 1.404 296 1HG2 VAL 43 1HG2 VAL 43 1.770 0.243 2.411 297 2HG2 VAL 43 2HG2 VAL 43 0.924 1.292 3.572 298 3HG2 VAL 43 3HG2 VAL 43 0.888 1.681 1.858 299 H ARG 44 H ARG 44 5.719 1.004 5.398 300 HA ARG 44 HA ARG 44 6.873 3.724 5.470 301 1HB ARG 44 1HB ARG 44 7.690 1.121 6.769 302 2HB ARG 44 2HB ARG 44 8.483 2.668 7.044 303 1HG ARG 44 1HG ARG 44 6.837 3.500 8.378 304 2HG ARG 44 2HG ARG 44 5.527 2.772 7.444 305 1HD ARG 44 1HD ARG 44 7.332 1.258 9.357 306 2HD ARG 44 2HD ARG 44 5.668 1.788 9.702 307 HE ARG 44 HE ARG 44 5.426 0.390 7.342 308 1HH1 ARG 44 1HH1 ARG 44 6.628 -0.495 10.544 309 2HH1 ARG 44 2HH1 ARG 44 6.486 -2.208 10.255 310 1HH2 ARG 44 1HH2 ARG 44 5.254 -1.709 6.941 311 2HH2 ARG 44 2HH2 ARG 44 5.656 -2.945 8.125 312 H VAL 45 H VAL 45 6.921 3.252 2.961 313 HA VAL 45 HA VAL 45 9.708 2.457 2.239 314 HB VAL 45 HB VAL 45 8.714 1.515 0.108 315 1HG1 VAL 45 1HG1 VAL 45 9.779 0.138 1.860 316 2HG1 VAL 45 2HG1 VAL 45 8.221 -0.007 2.701 317 3HG1 VAL 45 3HG1 VAL 45 8.434 -0.718 1.089 318 1HG2 VAL 45 1HG2 VAL 45 6.329 2.247 0.388 319 2HG2 VAL 45 2HG2 VAL 45 6.498 0.504 0.188 320 3HG2 VAL 45 3HG2 VAL 45 6.196 1.173 1.797 321 H CYS 46 H CYS 46 10.296 4.566 2.193 322 HA CYS 46 HA CYS 46 8.626 6.611 1.132 323 1HB CYS 46 1HB CYS 46 10.311 6.697 3.039 324 2HB CYS 46 2HB CYS 46 11.551 6.896 1.799 325 H HIS 47 H HIS 47 8.489 5.238 -0.981 326 HA HIS 47 HA HIS 47 10.703 5.817 -2.862 327 1HB HIS 47 1HB HIS 47 9.859 3.993 -4.135 328 2HB HIS 47 2HB HIS 47 10.033 3.505 -2.447 329 HD1 HIS 47 HD1 HIS 47 7.106 5.008 -4.497 330 HD2 HIS 47 HD2 HIS 47 8.065 1.833 -1.934 331 HE1 HIS 47 HE1 HIS 47 4.964 3.706 -4.141 332 H GLN 48 H GLN 48 8.930 7.964 -2.209 333 HA GLN 48 HA GLN 48 7.768 9.634 -3.263 334 1HB GLN 48 1HB GLN 48 8.891 10.446 -5.254 335 2HB GLN 48 2HB GLN 48 10.001 9.984 -3.969 336 1HG GLN 48 1HG GLN 48 10.623 7.931 -5.070 337 2HG GLN 48 2HG GLN 48 9.427 8.145 -6.339 338 1HE2 GLN 48 2HE2 GLN 48 9.668 10.532 -7.429 339 2HE2 GLN 48 1HE2 GLN 48 11.334 10.896 -7.864 340 H ASP 49 H ASP 49 5.719 8.584 -3.275 341 HA ASP 49 HA ASP 49 4.678 8.014 -6.039 342 1HB ASP 49 1HB ASP 49 4.792 6.125 -4.255 343 2HB ASP 49 2HB ASP 49 3.458 6.967 -3.477 344 H CYS 50 H CYS 50 1.856 8.153 -4.925 345 HA CYS 50 HA CYS 50 1.742 11.038 -4.196 346 1HB CYS 50 1HB CYS 50 -0.531 9.512 -5.483 347 2HB CYS 50 2HB CYS 50 -0.389 11.238 -5.155 348 H VAL 51 H VAL 51 0.382 11.612 -2.541 349 HA VAL 51 HA VAL 51 -0.720 9.414 -0.849 350 HB VAL 51 HB VAL 51 0.252 10.409 1.107 351 1HG1 VAL 51 1HG1 VAL 51 1.718 8.878 -0.175 352 2HG1 VAL 51 2HG1 VAL 51 2.488 10.265 -0.954 353 3HG1 VAL 51 3HG1 VAL 51 2.620 10.048 0.800 354 1HG2 VAL 51 1HG2 VAL 51 1.374 12.589 -0.710 355 2HG2 VAL 51 2HG2 VAL 51 0.172 12.809 0.572 356 3HG2 VAL 51 3HG2 VAL 51 1.825 12.357 0.990 357 H CYS 52 H CYS 52 -2.479 10.271 0.619 358 HA CYS 52 HA CYS 52 -4.292 11.945 -0.699 359 1HB CYS 52 1HB CYS 52 -4.102 11.575 2.291 360 2HB CYS 52 2HB CYS 52 -5.443 12.285 1.407 361 H GLU 53 H GLU 53 -4.442 14.019 -1.042 362 HA GLU 53 HA GLU 53 -2.200 15.651 -0.876 363 1HB GLU 53 1HB GLU 53 -3.870 15.777 -2.603 364 2HB GLU 53 2HB GLU 53 -5.134 16.231 -1.466 365 1HG GLU 53 1HG GLU 53 -4.183 18.430 -1.149 366 2HG GLU 53 2HG GLU 53 -2.705 17.986 -2.018 367 H GLU 54 H GLU 54 -1.925 17.772 0.099 368 HA GLU 54 HA GLU 54 -2.175 17.830 2.904 369 1HB GLU 54 1HB GLU 54 -1.841 20.104 0.905 370 2HB GLU 54 2HB GLU 54 -1.606 20.251 2.653 371 1HG GLU 54 1HG GLU 54 0.212 18.597 2.604 372 2HG GLU 54 2HG GLU 54 -0.016 18.334 0.871 373 H GLY 55 H GLY 55 -3.862 18.291 4.225 374 1HA GLY 55 1HA GLY 55 -5.811 19.480 4.900 375 2HA GLY 55 2HA GLY 55 -6.243 19.792 3.217 376 H PHE 56 H PHE 56 -5.440 16.822 2.645 377 HA PHE 56 HA PHE 56 -8.006 15.585 3.462 378 1HB PHE 56 1HB PHE 56 -6.087 14.810 1.244 379 2HB PHE 56 2HB PHE 56 -7.614 14.050 1.631 380 HD1 PHE 56 HD1 PHE 56 -6.109 17.312 0.482 381 HD2 PHE 56 HD2 PHE 56 -9.651 14.873 0.694 382 HE1 PHE 56 HE1 PHE 56 -7.248 18.829 -1.095 383 HE2 PHE 56 HE2 PHE 56 -10.811 16.423 -0.850 384 HZ PHE 56 HZ PHE 56 -9.600 18.388 -1.776 385 H TYR 57 H TYR 57 -7.878 13.369 4.224 386 HA TYR 57 HA TYR 57 -5.304 12.771 5.655 387 1HB TYR 57 1HB TYR 57 -8.224 12.420 6.438 388 2HB TYR 57 2HB TYR 57 -6.872 11.701 7.307 389 HD1 TYR 57 HD1 TYR 57 -8.513 14.931 6.442 390 HD2 TYR 57 HD2 TYR 57 -5.363 12.995 8.643 391 HE1 TYR 57 HE1 TYR 57 -7.886 17.101 7.440 392 HE2 TYR 57 HE2 TYR 57 -4.914 15.127 9.859 393 HH TYR 57 HH TYR 57 -6.561 18.180 8.990 394 H ARG 58 H ARG 58 -4.531 10.694 5.524 395 HA ARG 58 HA ARG 58 -5.991 8.733 3.800 396 1HB ARG 58 1HB ARG 58 -4.037 7.319 4.126 397 2HB ARG 58 2HB ARG 58 -3.617 8.861 3.390 398 1HG ARG 58 1HG ARG 58 -3.348 8.980 6.322 399 2HG ARG 58 2HG ARG 58 -2.430 7.642 5.627 400 1HD ARG 58 1HD ARG 58 -0.987 9.482 5.719 401 2HD ARG 58 2HD ARG 58 -1.380 9.216 4.021 402 HE ARG 58 HE ARG 58 -2.771 11.266 5.752 403 1HH1 ARG 58 1HH1 ARG 58 -0.746 10.742 2.864 404 2HH1 ARG 58 2HH1 ARG 58 -1.289 12.245 2.126 405 1HH2 ARG 58 1HH2 ARG 58 -3.444 13.251 4.631 406 2HH2 ARG 58 2HH2 ARG 58 -2.688 13.583 3.096 407 H ASN 59 H ASN 59 -7.672 9.282 5.439 408 HA ASN 59 HA ASN 59 -7.737 9.174 8.016 409 1HB ASN 59 1HB ASN 59 -10.064 8.690 7.974 410 2HB ASN 59 2HB ASN 59 -9.645 9.627 6.546 411 1HD2 ASN 59 2HD2 ASN 59 -11.983 7.825 7.076 412 2HD2 ASN 59 1HD2 ASN 59 -11.959 6.766 5.675 413 H LYS 60 H LYS 60 -8.230 6.100 6.300 414 HA LYS 60 HA LYS 60 -6.980 4.604 8.491 415 1HB LYS 60 1HB LYS 60 -8.873 3.052 8.747 416 2HB LYS 60 2HB LYS 60 -9.196 4.672 9.344 417 1HG LYS 60 1HG LYS 60 -10.556 5.105 7.231 418 2HG LYS 60 2HG LYS 60 -10.280 3.434 6.749 419 1HD LYS 60 1HD LYS 60 -11.271 2.625 8.871 420 2HD LYS 60 2HD LYS 60 -11.598 4.286 9.373 421 1HE LYS 60 1HE LYS 60 -12.757 2.944 6.883 422 2HE LYS 60 2HE LYS 60 -13.588 3.116 8.437 423 1HZ LYS 60 1HZ LYS 60 -13.444 5.483 8.215 424 2HZ LYS 60 2HZ LYS 60 -12.659 5.341 6.776 425 3HZ LYS 60 3HZ LYS 60 -14.218 4.827 6.920 426 H ASP 61 H ASP 61 -8.804 4.434 5.434 427 HA ASP 61 HA ASP 61 -6.734 2.642 4.290 428 1HB ASP 61 1HB ASP 61 -8.444 1.126 5.129 429 2HB ASP 61 2HB ASP 61 -9.715 2.073 4.345 430 H ASP 62 H ASP 62 -6.294 4.846 3.664 431 HA ASP 62 HA ASP 62 -6.289 6.654 2.329 432 1HB ASP 62 1HB ASP 62 -5.296 4.620 1.130 433 2HB ASP 62 2HB ASP 62 -6.775 4.570 0.168 434 H LYS 63 H LYS 63 -9.000 6.589 3.336 435 HA LYS 63 HA LYS 63 -10.612 7.280 0.937 436 1HB LYS 63 1HB LYS 63 -11.421 7.778 3.792 437 2HB LYS 63 2HB LYS 63 -12.404 7.695 2.357 438 1HG LYS 63 1HG LYS 63 -10.996 5.323 3.698 439 2HG LYS 63 2HG LYS 63 -12.723 5.685 3.687 440 1HD LYS 63 1HD LYS 63 -12.694 5.597 1.144 441 2HD LYS 63 2HD LYS 63 -11.034 4.990 1.237 442 1HE LYS 63 1HE LYS 63 -13.499 3.627 2.412 443 2HE LYS 63 2HE LYS 63 -12.630 3.169 0.936 444 1HZ LYS 63 1HZ LYS 63 -10.660 2.866 2.321 445 2HZ LYS 63 2HZ LYS 63 -11.580 3.103 3.664 446 3HZ LYS 63 3HZ LYS 63 -11.884 1.816 2.679 447 H CYS 64 H CYS 64 -9.257 8.900 0.054 448 HA CYS 64 HA CYS 64 -8.089 10.959 1.713 449 1HB CYS 64 1HB CYS 64 -8.394 10.937 -1.301 450 2HB CYS 64 2HB CYS 64 -7.370 11.998 -0.337 451 H VAL 65 H VAL 65 -10.084 11.494 2.795 452 HA VAL 65 HA VAL 65 -11.423 13.850 1.529 453 HB VAL 65 HB VAL 65 -13.281 13.285 3.252 454 1HG1 VAL 65 1HG1 VAL 65 -12.926 11.665 0.698 455 2HG1 VAL 65 2HG1 VAL 65 -14.460 11.945 1.550 456 3HG1 VAL 65 3HG1 VAL 65 -13.593 13.307 0.820 457 1HG2 VAL 65 1HG2 VAL 65 -12.043 11.326 4.302 458 2HG2 VAL 65 2HG2 VAL 65 -13.662 10.928 3.669 459 3HG2 VAL 65 3HG2 VAL 65 -12.246 10.457 2.760 460 H SER 66 H SER 66 -12.137 15.401 3.324 461 HA SER 66 HA SER 66 -9.692 15.931 4.843 462 1HB SER 66 1HB SER 66 -10.825 17.686 3.489 463 2HB SER 66 2HB SER 66 -12.159 17.668 4.661 464 HG SER 66 HG SER 66 -9.404 18.276 5.082 465 H ALA 67 H ALA 67 -10.326 17.208 6.986 466 HA ALA 67 HA ALA 67 -10.655 15.172 8.906 467 1HB ALA 67 1HB ALA 67 -9.399 17.205 9.384 468 2HB ALA 67 2HB ALA 67 -10.893 18.172 9.308 469 3HB ALA 67 3HB ALA 67 -10.667 16.957 10.590 470 H GLU 68 H GLU 68 -12.967 17.151 7.307 471 HA GLU 68 HA GLU 68 -15.303 17.064 8.820 472 1HB GLU 68 1HB GLU 68 -15.053 16.458 5.831 473 2HB GLU 68 2HB GLU 68 -16.460 17.103 6.681 474 1HG GLU 68 1HG GLU 68 -15.165 19.172 7.213 475 2HG GLU 68 2HG GLU 68 -13.769 18.541 6.323 476 H ASP 69 H ASP 69 -13.994 14.537 6.594 477 HA ASP 69 HA ASP 69 -16.063 12.590 7.158 478 1HB ASP 69 1HB ASP 69 -14.728 12.372 5.138 479 2HB ASP 69 2HB ASP 69 -13.219 12.284 6.076 480 H CYS 70 H CYS 70 -12.709 13.073 8.231 481 HA CYS 70 HA CYS 70 -12.356 10.878 9.839 482 1HB CYS 70 1HB CYS 70 -10.563 12.470 9.386 483 2HB CYS 70 2HB CYS 70 -11.413 13.735 10.297 484 H GLU 71 H GLU 71 -13.745 14.012 10.862 485 HA GLU 71 HA GLU 71 -14.310 13.139 13.553 486 1HB GLU 71 1HB GLU 71 -13.866 15.485 12.870 487 2HB GLU 71 2HB GLU 71 -15.404 15.522 11.991 488 1HG GLU 71 1HG GLU 71 -16.638 15.150 14.096 489 2HG GLU 71 2HG GLU 71 -15.116 14.950 14.981 490 H LEU 72 H LEU 72 -16.405 13.680 10.632 491 HA LEU 72 HA LEU 72 -18.810 13.073 12.046 492 1HB LEU 72 1HB LEU 72 -18.144 13.030 9.083 493 2HB LEU 72 2HB LEU 72 -19.780 12.842 9.715 494 HG LEU 72 HG LEU 72 -18.071 15.302 10.302 495 1HD1 LEU 72 1HD1 LEU 72 -18.460 15.076 7.866 496 2HD1 LEU 72 2HD1 LEU 72 -20.203 14.897 8.161 497 3HD1 LEU 72 3HD1 LEU 72 -19.384 16.425 8.549 498 1HD2 LEU 72 1HD2 LEU 72 -21.057 14.746 10.586 499 2HD2 LEU 72 2HD2 LEU 72 -19.903 14.998 11.914 500 3HD2 LEU 72 3HD2 LEU 72 -20.279 16.324 10.814 501 H ASP 73 H ASP 73 -16.563 10.976 10.309 502 HA ASP 73 HA ASP 73 -18.373 8.722 10.161 503 1HB ASP 73 1HB ASP 73 -16.647 9.188 8.476 504 2HB ASP 73 2HB ASP 73 -15.382 8.982 9.696 505 H ASN 74 H ASN 74 -18.650 9.254 12.660 506 HA ASN 74 HA ASN 74 -16.765 7.886 14.440 507 1HB ASN 74 1HB ASN 74 -17.904 9.901 15.186 508 2HB ASN 74 2HB ASN 74 -19.488 9.164 14.912 509 1HD2 ASN 74 2HD2 ASN 74 -19.893 7.073 16.132 510 2HD2 ASN 74 1HD2 ASN 74 -19.307 6.928 17.775 511 H MET 75 H MET 75 -16.791 5.772 13.522 512 HA MET 75 HA MET 75 -19.092 4.224 13.005 513 1HB MET 75 1HB MET 75 -16.334 3.334 13.956 514 2HB MET 75 2HB MET 75 -17.581 2.249 13.336 515 1HG MET 75 1HG MET 75 -16.301 4.504 11.738 516 2HG MET 75 2HG MET 75 -15.884 2.790 11.661 517 1HE MET 75 1HE MET 75 -16.324 4.232 9.087 518 2HE MET 75 2HE MET 75 -16.181 2.459 9.116 519 3HE MET 75 3HE MET 75 -17.499 3.231 8.201 520 H ASP 76 H ASP 76 -17.021 3.843 15.878 521 HA ASP 76 HA ASP 76 -19.376 2.910 17.477 522 1HB ASP 76 1HB ASP 76 -17.576 1.315 17.437 523 2HB ASP 76 2HB ASP 76 -16.368 2.539 17.828 524 H PHE 77 H PHE 77 -16.310 4.529 18.373 525 HA PHE 77 HA PHE 77 -17.607 7.018 19.031 526 1HB PHE 77 1HB PHE 77 -18.268 5.516 20.960 527 2HB PHE 77 2HB PHE 77 -16.560 5.420 21.357 528 HD1 PHE 77 HD1 PHE 77 -15.341 7.485 22.093 529 HD2 PHE 77 HD2 PHE 77 -19.561 7.566 21.253 530 HE1 PHE 77 HE1 PHE 77 -15.480 9.771 23.040 531 HE2 PHE 77 HE2 PHE 77 -19.718 9.820 22.274 532 HZ PHE 77 HZ PHE 77 -17.677 10.930 23.163 533 H ILE 78 H ILE 78 -16.054 8.482 18.499 534 HA ILE 78 HA ILE 78 -13.235 7.765 18.314 535 HB ILE 78 HB ILE 78 -14.639 10.455 18.174 536 1HG1 ILE 78 1HG1 ILE 78 -13.509 8.612 16.005 537 2HG1 ILE 78 2HG1 ILE 78 -15.224 8.803 16.379 538 1HG2 ILE 78 1HG2 ILE 78 -12.225 10.718 18.824 539 2HG2 ILE 78 2HG2 ILE 78 -11.765 9.700 17.455 540 3HG2 ILE 78 3HG2 ILE 78 -12.517 11.279 17.193 541 1HD1 ILE 78 1HD1 ILE 78 -15.039 11.243 15.803 542 2HD1 ILE 78 2HD1 ILE 78 -13.400 10.909 15.186 543 3HD1 ILE 78 3HD1 ILE 78 -14.797 10.113 14.458 544 H TYR 79 H TYR 79 -13.054 6.817 20.434 545 HA TYR 79 HA TYR 79 -13.157 8.269 22.836 546 1HB TYR 79 1HB TYR 79 -11.191 6.094 22.021 547 2HB TYR 79 2HB TYR 79 -11.464 6.625 23.674 548 HD1 TYR 79 HD1 TYR 79 -14.122 6.644 24.371 549 HD2 TYR 79 HD2 TYR 79 -12.168 3.960 21.636 550 HE1 TYR 79 HE1 TYR 79 -16.089 5.134 24.428 551 HE2 TYR 79 HE2 TYR 79 -14.166 2.520 21.597 552 HH TYR 79 HH TYR 79 -16.477 2.544 22.046 553 HA PRO 80 HA PRO 80 -10.018 11.345 22.838 554 1HB PRO 80 1HB PRO 80 -8.869 9.864 25.228 555 2HB PRO 80 2HB PRO 80 -9.034 11.635 25.011 556 1HG PRO 80 1HG PRO 80 -10.898 10.315 26.449 557 2HG PRO 80 2HG PRO 80 -11.442 11.470 25.194 558 1HD PRO 80 1HD PRO 80 -11.272 8.460 25.016 559 2HD PRO 80 2HD PRO 80 -12.576 9.562 24.480 560 H GLY 81 H GLY 81 -7.860 11.764 22.208 561 1HA GLY 81 1HA GLY 81 -6.614 9.779 20.604 562 2HA GLY 81 2HA GLY 81 -5.993 11.387 20.982 563 H THR 82 H THR 82 -6.403 8.155 22.495 564 HA THR 82 HA THR 82 -3.554 8.017 23.050 565 HB THR 82 HB THR 82 -4.271 9.193 25.051 566 HG1 THR 82 HG1 THR 82 -3.519 7.659 26.525 567 1HG2 THR 82 1HG2 THR 82 -6.686 8.515 25.096 568 2HG2 THR 82 2HG2 THR 82 -6.196 6.890 25.612 569 3HG2 THR 82 3HG2 THR 82 -5.872 8.287 26.651 570 H ARG 83 H ARG 83 -2.936 5.894 22.804 571 HA ARG 83 HA ARG 83 -4.969 4.179 21.696 572 1HB ARG 83 1HB ARG 83 -2.675 4.500 20.733 573 2HB ARG 83 2HB ARG 83 -2.006 3.656 22.129 574 1HG ARG 83 1HG ARG 83 -2.057 2.132 20.329 575 2HG ARG 83 2HG ARG 83 -3.320 1.589 21.428 576 1HD ARG 83 1HD ARG 83 -3.802 3.320 18.963 577 2HD ARG 83 2HD ARG 83 -3.871 1.549 18.942 578 HE ARG 83 HE ARG 83 -5.603 2.060 20.931 579 1HH1 ARG 83 1HH1 ARG 83 -5.424 3.238 17.569 580 2HH1 ARG 83 2HH1 ARG 83 -7.124 3.692 17.565 581 1HH2 ARG 83 1HH2 ARG 83 -7.831 2.616 20.786 582 2HH2 ARG 83 2HH2 ARG 83 -8.424 3.371 19.312 583 H ASN 84 H ASN 84 -6.046 4.229 23.881 584 HA ASN 84 HA ASN 84 -5.118 2.014 25.664 585 1HB ASN 84 1HB ASN 84 -5.272 3.980 26.922 586 2HB ASN 84 2HB ASN 84 -6.828 4.432 26.247 587 1HD2 ASN 84 2HD2 ASN 84 -5.271 1.671 28.030 588 2HD2 ASN 84 1HD2 ASN 84 -6.684 1.349 29.018 589 HA PRO 85 HA PRO 85 -9.542 0.576 24.856 590 1HB PRO 85 1HB PRO 85 -11.312 1.949 23.300 591 2HB PRO 85 2HB PRO 85 -11.098 2.290 25.042 592 1HG PRO 85 1HG PRO 85 -9.802 3.749 22.715 593 2HG PRO 85 2HG PRO 85 -10.682 4.451 24.110 594 1HD PRO 85 1HD PRO 85 -8.002 4.310 24.093 595 2HD PRO 85 2HD PRO 85 -8.932 3.985 25.585 Start of MODEL 11 1 1H LYS 1 1H LYS 1 6.954 12.596 -11.897 2 2H LYS 1 2H LYS 1 6.295 13.106 -13.317 3 3H LYS 1 3H LYS 1 5.969 13.921 -11.918 4 HA LYS 1 HA LYS 1 4.838 12.046 -11.029 5 1HB LYS 1 1HB LYS 1 3.515 13.725 -12.144 6 2HB LYS 1 2HB LYS 1 3.879 13.045 -13.734 7 1HG LYS 1 1HG LYS 1 1.596 12.517 -12.959 8 2HG LYS 1 2HG LYS 1 2.557 11.070 -13.289 9 1HD LYS 1 1HD LYS 1 2.938 10.716 -10.889 10 2HD LYS 1 2HD LYS 1 2.173 12.273 -10.504 11 1HE LYS 1 1HE LYS 1 0.716 10.333 -10.057 12 2HE LYS 1 2HE LYS 1 -0.001 11.417 -11.262 13 1HZ LYS 1 1HZ LYS 1 1.516 8.988 -11.917 14 2HZ LYS 1 2HZ LYS 1 -0.139 9.057 -11.812 15 3HZ LYS 1 3HZ LYS 1 0.659 9.932 -12.956 16 H ALA 2 H ALA 2 5.606 9.972 -10.872 17 HA ALA 2 HA ALA 2 6.333 8.373 -13.187 18 1HB ALA 2 1HB ALA 2 7.308 8.040 -10.906 19 2HB ALA 2 2HB ALA 2 5.694 7.537 -10.346 20 3HB ALA 2 3HB ALA 2 6.557 6.564 -11.553 21 H THR 3 H THR 3 5.181 6.234 -13.628 22 HA THR 3 HA THR 3 2.404 6.763 -14.212 23 HB THR 3 HB THR 3 2.636 4.464 -15.253 24 HG1 THR 3 HG1 THR 3 4.213 3.699 -13.831 25 1HG2 THR 3 1HG2 THR 3 3.150 6.514 -16.552 26 2HG2 THR 3 2HG2 THR 3 4.831 6.469 -15.976 27 3HG2 THR 3 3HG2 THR 3 4.209 5.163 -17.002 28 H MET 4 H MET 4 2.148 7.009 -11.704 29 HA MET 4 HA MET 4 1.118 4.430 -10.596 30 1HB MET 4 1HB MET 4 1.983 7.055 -9.336 31 2HB MET 4 2HB MET 4 0.878 5.968 -8.485 32 1HG MET 4 1HG MET 4 3.133 5.549 -7.765 33 2HG MET 4 2HG MET 4 2.459 4.138 -8.580 34 1HE MET 4 1HE MET 4 5.503 4.448 -7.781 35 2HE MET 4 2HE MET 4 4.840 3.026 -8.624 36 3HE MET 4 3HE MET 4 6.293 3.839 -9.254 37 H GLN 5 H GLN 5 0.070 6.609 -12.585 38 HA GLN 5 HA GLN 5 -1.906 7.316 -13.374 39 1HB GLN 5 1HB GLN 5 -2.723 4.773 -11.925 40 2HB GLN 5 2HB GLN 5 -3.824 5.699 -12.946 41 1HG GLN 5 1HG GLN 5 -2.773 3.848 -14.198 42 2HG GLN 5 2HG GLN 5 -2.413 5.432 -14.889 43 1HE2 GLN 5 2HE2 GLN 5 -1.014 2.890 -12.717 44 2HE2 GLN 5 1HE2 GLN 5 0.657 3.336 -13.069 45 H CYS 6 H CYS 6 -2.859 6.317 -10.075 46 HA CYS 6 HA CYS 6 -4.627 7.152 -8.825 47 1HB CYS 6 1HB CYS 6 -3.699 9.047 -7.592 48 2HB CYS 6 2HB CYS 6 -2.581 7.729 -7.843 49 H GLY 7 H GLY 7 -4.269 10.511 -9.031 50 1HA GLY 7 1HA GLY 7 -5.525 12.112 -10.154 51 2HA GLY 7 2HA GLY 7 -6.564 10.874 -10.865 52 H GLU 8 H GLU 8 -6.603 9.614 -7.956 53 HA GLU 8 HA GLU 8 -9.195 10.818 -7.411 54 1HB GLU 8 1HB GLU 8 -7.730 8.570 -5.979 55 2HB GLU 8 2HB GLU 8 -9.435 8.995 -5.815 56 1HG GLU 8 1HG GLU 8 -9.790 8.499 -8.235 57 2HG GLU 8 2HG GLU 8 -8.096 8.006 -8.384 58 H ASN 9 H ASN 9 -7.669 12.894 -6.969 59 HA ASN 9 HA ASN 9 -6.950 14.476 -5.527 60 1HB ASN 9 1HB ASN 9 -9.234 14.119 -4.563 61 2HB ASN 9 2HB ASN 9 -8.541 13.003 -3.382 62 1HD2 ASN 9 2HD2 ASN 9 -9.442 14.540 -1.664 63 2HD2 ASN 9 1HD2 ASN 9 -8.573 16.021 -1.395 64 H GLU 10 H GLU 10 -5.120 12.461 -6.091 65 HA GLU 10 HA GLU 10 -3.565 12.138 -3.585 66 1HB GLU 10 1HB GLU 10 -3.823 10.392 -6.033 67 2HB GLU 10 2HB GLU 10 -2.699 10.061 -4.722 68 1HG GLU 10 1HG GLU 10 -4.643 9.691 -3.189 69 2HG GLU 10 2HG GLU 10 -5.742 10.054 -4.507 70 H LYS 11 H LYS 11 -1.216 12.313 -4.019 71 HA LYS 11 HA LYS 11 -0.458 13.168 -6.745 72 1HB LYS 11 1HB LYS 11 0.840 15.011 -6.025 73 2HB LYS 11 2HB LYS 11 -0.840 15.235 -5.515 74 1HG LYS 11 1HG LYS 11 -0.212 14.570 -3.188 75 2HG LYS 11 2HG LYS 11 1.427 14.213 -3.711 76 1HD LYS 11 1HD LYS 11 1.536 16.298 -2.634 77 2HD LYS 11 2HD LYS 11 1.786 16.571 -4.362 78 1HE LYS 11 1HE LYS 11 -0.591 17.339 -4.564 79 2HE LYS 11 2HE LYS 11 -0.804 17.065 -2.819 80 1HZ LYS 11 1HZ LYS 11 0.884 18.690 -2.421 81 2HZ LYS 11 2HZ LYS 11 1.088 18.941 -4.037 82 3HZ LYS 11 3HZ LYS 11 -0.341 19.334 -3.317 83 H TYR 12 H TYR 12 1.711 12.831 -7.226 84 HA TYR 12 HA TYR 12 2.876 10.433 -6.081 85 1HB TYR 12 1HB TYR 12 2.775 10.972 -8.481 86 2HB TYR 12 2HB TYR 12 3.913 12.296 -8.224 87 HD1 TYR 12 HD1 TYR 12 3.447 8.586 -7.898 88 HD2 TYR 12 HD2 TYR 12 6.286 11.824 -8.134 89 HE1 TYR 12 HE1 TYR 12 5.324 6.974 -7.692 90 HE2 TYR 12 HE2 TYR 12 8.142 10.213 -7.969 91 HH TYR 12 HH TYR 12 8.733 8.018 -7.646 92 H ASP 13 H ASP 13 2.907 11.509 -3.897 93 HA ASP 13 HA ASP 13 5.733 12.105 -3.415 94 1HB ASP 13 1HB ASP 13 3.636 14.013 -2.334 95 2HB ASP 13 2HB ASP 13 5.357 13.979 -1.933 96 H SER 14 H SER 14 4.222 9.694 -2.812 97 HA SER 14 HA SER 14 3.172 9.746 -0.247 98 1HB SER 14 1HB SER 14 3.689 7.421 0.025 99 2HB SER 14 2HB SER 14 3.155 7.691 -1.628 100 HG SER 14 HG SER 14 5.351 6.476 -0.903 101 H CYS 15 H CYS 15 3.853 9.891 1.767 102 HA CYS 15 HA CYS 15 6.618 10.468 2.559 103 1HB CYS 15 1HB CYS 15 3.976 10.227 3.903 104 2HB CYS 15 2HB CYS 15 5.441 10.042 4.853 105 H GLY 16 H GLY 16 7.221 8.577 1.199 106 1HA GLY 16 1HA GLY 16 8.174 6.408 1.237 107 2HA GLY 16 2HA GLY 16 7.611 6.198 2.925 108 H SER 17 H SER 17 5.024 6.308 2.946 109 HA SER 17 HA SER 17 3.723 5.112 0.665 110 1HB SER 17 1HB SER 17 4.675 3.470 3.045 111 2HB SER 17 2HB SER 17 3.250 2.938 2.133 112 HG SER 17 HG SER 17 5.559 3.611 0.694 113 H LYS 18 H LYS 18 1.458 4.053 1.989 114 HA LYS 18 HA LYS 18 0.281 6.325 3.408 115 1HB LYS 18 1HB LYS 18 -0.714 3.490 2.920 116 2HB LYS 18 2HB LYS 18 -1.665 4.830 3.584 117 1HG LYS 18 1HG LYS 18 -1.201 6.123 1.460 118 2HG LYS 18 2HG LYS 18 -0.489 4.652 0.772 119 1HD LYS 18 1HD LYS 18 -3.345 4.980 1.794 120 2HD LYS 18 2HD LYS 18 -2.833 4.951 0.094 121 1HE LYS 18 1HE LYS 18 -1.958 2.607 0.459 122 2HE LYS 18 2HE LYS 18 -2.669 2.639 2.086 123 1HZ LYS 18 1HZ LYS 18 -4.157 2.966 -0.418 124 2HZ LYS 18 2HZ LYS 18 -4.095 1.600 0.498 125 3HZ LYS 18 3HZ LYS 18 -4.809 2.952 1.098 126 H GLU 19 H GLU 19 2.280 6.123 4.925 127 HA GLU 19 HA GLU 19 1.850 4.162 7.135 128 1HB GLU 19 1HB GLU 19 4.134 5.026 7.890 129 2HB GLU 19 2HB GLU 19 4.030 4.041 6.459 130 1HG GLU 19 1HG GLU 19 5.632 5.909 6.244 131 2HG GLU 19 2HG GLU 19 4.437 5.801 4.968 132 H CYS 20 H CYS 20 3.371 6.613 8.560 133 HA CYS 20 HA CYS 20 1.111 7.321 10.170 134 1HB CYS 20 1HB CYS 20 2.802 8.388 11.522 135 2HB CYS 20 2HB CYS 20 3.496 6.891 10.875 136 H ASP 21 H ASP 21 1.911 8.594 7.165 137 HA ASP 21 HA ASP 21 1.783 11.418 7.806 138 1HB ASP 21 1HB ASP 21 3.096 10.643 5.968 139 2HB ASP 21 2HB ASP 21 1.690 9.855 5.216 140 H LYS 22 H LYS 22 -0.087 12.346 8.425 141 HA LYS 22 HA LYS 22 -2.308 12.636 8.851 142 1HB LYS 22 1HB LYS 22 -2.123 12.916 5.832 143 2HB LYS 22 2HB LYS 22 -3.387 13.612 6.864 144 1HG LYS 22 1HG LYS 22 -1.659 14.842 8.163 145 2HG LYS 22 2HG LYS 22 -0.413 14.253 7.045 146 1HD LYS 22 1HD LYS 22 -1.516 15.349 5.166 147 2HD LYS 22 2HD LYS 22 -2.848 15.883 6.211 148 1HE LYS 22 1HE LYS 22 -1.212 17.176 7.603 149 2HE LYS 22 2HE LYS 22 0.090 16.700 6.496 150 1HZ LYS 22 1HZ LYS 22 -2.295 18.238 5.738 151 2HZ LYS 22 2HZ LYS 22 -0.813 18.882 6.055 152 3HZ LYS 22 3HZ LYS 22 -1.012 17.890 4.762 153 H LYS 23 H LYS 23 -1.982 9.930 8.973 154 HA LYS 23 HA LYS 23 -4.327 8.635 7.735 155 1HB LYS 23 1HB LYS 23 -3.594 6.802 9.488 156 2HB LYS 23 2HB LYS 23 -2.752 7.057 7.974 157 1HG LYS 23 1HG LYS 23 -1.180 6.706 9.750 158 2HG LYS 23 2HG LYS 23 -0.970 8.246 8.969 159 1HD LYS 23 1HD LYS 23 -0.658 8.678 11.303 160 2HD LYS 23 2HD LYS 23 -2.266 9.312 10.961 161 1HE LYS 23 1HE LYS 23 -2.293 8.096 13.037 162 2HE LYS 23 2HE LYS 23 -3.260 7.190 11.867 163 1HZ LYS 23 1HZ LYS 23 -0.489 6.649 12.644 164 2HZ LYS 23 2HZ LYS 23 -1.816 5.787 13.115 165 3HZ LYS 23 3HZ LYS 23 -1.349 5.768 11.535 166 H CYS 24 H CYS 24 -5.371 10.738 8.583 167 HA CYS 24 HA CYS 24 -6.939 11.691 9.922 168 1HB CYS 24 1HB CYS 24 -8.334 9.921 9.456 169 2HB CYS 24 2HB CYS 24 -7.470 8.760 10.461 170 H LYS 25 H LYS 25 -6.120 9.188 12.297 171 HA LYS 25 HA LYS 25 -4.419 10.646 13.943 172 1HB LYS 25 1HB LYS 25 -6.206 12.229 14.391 173 2HB LYS 25 2HB LYS 25 -7.367 10.940 14.696 174 1HG LYS 25 1HG LYS 25 -6.454 12.236 16.703 175 2HG LYS 25 2HG LYS 25 -6.435 10.485 16.856 176 1HD LYS 25 1HD LYS 25 -4.041 10.434 16.213 177 2HD LYS 25 2HD LYS 25 -4.056 12.207 16.059 178 1HE LYS 25 1HE LYS 25 -4.536 12.389 18.479 179 2HE LYS 25 2HE LYS 25 -4.689 10.622 18.599 180 1HZ LYS 25 1HZ LYS 25 -2.407 10.424 17.955 181 2HZ LYS 25 2HZ LYS 25 -2.242 12.063 17.873 182 3HZ LYS 25 3HZ LYS 25 -2.557 11.338 19.319 183 H TYR 26 H TYR 26 -7.188 9.087 15.440 184 HA TYR 26 HA TYR 26 -5.654 6.844 16.290 185 1HB TYR 26 1HB TYR 26 -7.965 5.851 16.806 186 2HB TYR 26 2HB TYR 26 -7.304 7.187 17.723 187 HD1 TYR 26 HD1 TYR 26 -8.838 8.196 14.495 188 HD2 TYR 26 HD2 TYR 26 -9.538 7.391 18.676 189 HE1 TYR 26 HE1 TYR 26 -10.830 9.602 14.424 190 HE2 TYR 26 HE2 TYR 26 -11.611 8.716 18.568 191 HH TYR 26 HH TYR 26 -12.937 10.104 15.575 192 H ASP 27 H ASP 27 -5.412 4.880 15.467 193 HA ASP 27 HA ASP 27 -6.582 4.229 12.792 194 1HB ASP 27 1HB ASP 27 -4.483 3.499 11.956 195 2HB ASP 27 2HB ASP 27 -4.235 5.105 12.609 196 H GLY 28 H GLY 28 -5.949 1.766 12.357 197 1HA GLY 28 1HA GLY 28 -6.353 -0.413 12.927 198 2HA GLY 28 2HA GLY 28 -5.622 -0.046 14.500 199 H VAL 29 H VAL 29 -8.575 0.684 12.691 200 HA VAL 29 HA VAL 29 -10.696 0.866 13.096 201 HB VAL 29 HB VAL 29 -11.954 -0.359 14.762 202 1HG1 VAL 29 1HG1 VAL 29 -11.466 -1.246 12.511 203 2HG1 VAL 29 2HG1 VAL 29 -9.997 -2.026 13.131 204 3HG1 VAL 29 3HG1 VAL 29 -11.594 -2.543 13.707 205 1HG2 VAL 29 1HG2 VAL 29 -10.277 -0.646 16.602 206 2HG2 VAL 29 2HG2 VAL 29 -11.102 -2.117 16.093 207 3HG2 VAL 29 3HG2 VAL 29 -9.446 -1.845 15.569 208 H GLU 30 H GLU 30 -9.184 1.095 16.302 209 HA GLU 30 HA GLU 30 -9.232 3.912 16.319 210 1HB GLU 30 1HB GLU 30 -10.810 4.343 18.179 211 2HB GLU 30 2HB GLU 30 -11.639 3.756 16.742 212 1HG GLU 30 1HG GLU 30 -11.881 1.526 17.692 213 2HG GLU 30 2HG GLU 30 -10.853 1.945 19.073 214 H GLU 31 H GLU 31 -7.407 1.621 16.848 215 HA GLU 31 HA GLU 31 -7.215 1.380 19.796 216 1HB GLU 31 1HB GLU 31 -5.795 0.021 17.481 217 2HB GLU 31 2HB GLU 31 -5.388 -0.251 19.182 218 1HG GLU 31 1HG GLU 31 -7.626 -1.064 19.681 219 2HG GLU 31 2HG GLU 31 -8.183 -0.697 18.047 220 H GLU 32 H GLU 32 -6.854 3.849 19.561 221 HA GLU 32 HA GLU 32 -5.470 5.683 19.691 222 1HB GLU 32 1HB GLU 32 -3.342 3.714 20.630 223 2HB GLU 32 2HB GLU 32 -3.413 5.465 20.933 224 1HG GLU 32 1HG GLU 32 -5.539 5.150 22.192 225 2HG GLU 32 2HG GLU 32 -5.378 3.396 21.994 226 H ASP 33 H ASP 33 -2.465 5.432 19.166 227 HA ASP 33 HA ASP 33 -2.245 4.494 16.468 228 1HB ASP 33 1HB ASP 33 -1.743 6.769 15.458 229 2HB ASP 33 2HB ASP 33 -3.426 6.366 15.760 230 H ASP 34 H ASP 34 -0.516 3.377 17.186 231 HA ASP 34 HA ASP 34 1.783 4.396 18.508 232 1HB ASP 34 1HB ASP 34 1.419 2.003 18.209 233 2HB ASP 34 2HB ASP 34 1.477 2.167 16.445 234 H GLU 35 H GLU 35 0.957 4.192 15.038 235 HA GLU 35 HA GLU 35 3.297 5.699 14.136 236 1HB GLU 35 1HB GLU 35 0.712 4.765 12.820 237 2HB GLU 35 2HB GLU 35 1.909 5.762 11.992 238 1HG GLU 35 1HG GLU 35 3.650 4.018 12.464 239 2HG GLU 35 2HG GLU 35 2.383 2.987 13.149 240 H GLU 36 H GLU 36 2.734 7.273 15.996 241 HA GLU 36 HA GLU 36 0.609 8.997 15.992 242 1HB GLU 36 1HB GLU 36 3.482 9.441 16.782 243 2HB GLU 36 2HB GLU 36 2.192 10.630 17.104 244 1HG GLU 36 1HG GLU 36 0.933 8.864 18.349 245 2HG GLU 36 2HG GLU 36 2.299 7.758 18.126 246 HA PRO 37 HA PRO 37 0.541 10.873 12.042 247 1HB PRO 37 1HB PRO 37 -0.282 13.287 13.668 248 2HB PRO 37 2HB PRO 37 -0.871 12.795 12.049 249 1HG PRO 37 1HG PRO 37 -2.246 12.046 14.259 250 2HG PRO 37 2HG PRO 37 -1.943 10.853 12.964 251 1HD PRO 37 1HD PRO 37 -0.587 11.088 15.631 252 2HD PRO 37 2HD PRO 37 -0.956 9.646 14.630 253 H ASN 38 H ASN 38 2.344 11.209 10.958 254 HA ASN 38 HA ASN 38 4.136 12.174 10.015 255 1HB ASN 38 1HB ASN 38 2.619 14.640 10.957 256 2HB ASN 38 2HB ASN 38 4.036 14.719 9.915 257 1HD2 ASN 38 2HD2 ASN 38 3.897 14.122 7.729 258 2HD2 ASN 38 1HD2 ASN 38 2.358 13.738 6.983 259 H VAL 39 H VAL 39 3.868 14.388 12.814 260 HA VAL 39 HA VAL 39 6.604 15.096 12.586 261 HB VAL 39 HB VAL 39 4.620 15.705 14.791 262 1HG1 VAL 39 1HG1 VAL 39 7.407 16.843 14.278 263 2HG1 VAL 39 2HG1 VAL 39 6.212 17.515 15.405 264 3HG1 VAL 39 3HG1 VAL 39 6.909 15.922 15.713 265 1HG2 VAL 39 1HG2 VAL 39 5.664 17.308 12.430 266 2HG2 VAL 39 2HG2 VAL 39 4.035 16.617 12.586 267 3HG2 VAL 39 3HG2 VAL 39 4.560 17.893 13.689 268 HA PRO 40 HA PRO 40 7.916 12.719 16.482 269 1HB PRO 40 1HB PRO 40 6.235 10.800 17.575 270 2HB PRO 40 2HB PRO 40 6.305 12.505 18.102 271 1HG PRO 40 1HG PRO 40 4.395 11.287 16.088 272 2HG PRO 40 2HG PRO 40 3.984 12.300 17.510 273 1HD PRO 40 1HD PRO 40 4.145 13.363 15.062 274 2HD PRO 40 2HD PRO 40 4.905 14.224 16.440 275 H CYS 41 H CYS 41 5.671 10.897 14.380 276 HA CYS 41 HA CYS 41 7.057 8.476 14.059 277 1HB CYS 41 1HB CYS 41 4.876 8.733 13.119 278 2HB CYS 41 2HB CYS 41 5.355 10.190 12.240 279 H LEU 42 H LEU 42 7.442 11.542 12.235 280 HA LEU 42 HA LEU 42 9.152 12.510 11.330 281 1HB LEU 42 1HB LEU 42 10.303 11.623 13.383 282 2HB LEU 42 2HB LEU 42 10.975 10.324 12.392 283 HG LEU 42 HG LEU 42 12.241 11.953 11.056 284 1HD1 LEU 42 1HD1 LEU 42 10.913 14.031 12.856 285 2HD1 LEU 42 2HD1 LEU 42 12.350 14.343 11.859 286 3HD1 LEU 42 3HD1 LEU 42 10.821 13.939 11.081 287 1HD2 LEU 42 1HD2 LEU 42 13.200 11.009 13.120 288 2HD2 LEU 42 2HD2 LEU 42 13.791 12.653 12.813 289 3HD2 LEU 42 3HD2 LEU 42 12.548 12.375 14.051 290 H VAL 43 H VAL 43 8.154 9.550 10.091 291 HA VAL 43 HA VAL 43 10.057 9.488 7.861 292 HB VAL 43 HB VAL 43 7.376 8.055 7.888 293 1HG1 VAL 43 1HG1 VAL 43 9.991 7.521 6.455 294 2HG1 VAL 43 2HG1 VAL 43 8.557 6.475 6.446 295 3HG1 VAL 43 3HG1 VAL 43 8.463 8.077 5.726 296 1HG2 VAL 43 1HG2 VAL 43 10.074 7.125 8.993 297 2HG2 VAL 43 2HG2 VAL 43 8.626 7.417 9.972 298 3HG2 VAL 43 3HG2 VAL 43 8.633 6.109 8.790 299 H ARG 44 H ARG 44 9.623 11.956 7.833 300 HA ARG 44 HA ARG 44 7.176 12.807 6.495 301 1HB ARG 44 1HB ARG 44 8.115 14.053 8.344 302 2HB ARG 44 2HB ARG 44 9.651 14.262 7.499 303 1HG ARG 44 1HG ARG 44 8.195 16.288 7.605 304 2HG ARG 44 2HG ARG 44 8.738 15.856 6.000 305 1HD ARG 44 1HD ARG 44 6.430 14.738 5.639 306 2HD ARG 44 2HD ARG 44 5.985 15.362 7.231 307 HE ARG 44 HE ARG 44 5.652 17.418 6.286 308 1HH1 ARG 44 1HH1 ARG 44 7.778 15.557 4.124 309 2HH1 ARG 44 2HH1 ARG 44 7.641 16.695 2.810 310 1HH2 ARG 44 1HH2 ARG 44 5.502 18.907 4.569 311 2HH2 ARG 44 2HH2 ARG 44 6.348 18.629 3.072 312 H VAL 45 H VAL 45 9.329 11.073 5.115 313 HA VAL 45 HA VAL 45 10.474 12.732 3.020 314 HB VAL 45 HB VAL 45 11.216 10.513 2.118 315 1HG1 VAL 45 1HG1 VAL 45 12.619 11.847 3.628 316 2HG1 VAL 45 2HG1 VAL 45 11.882 11.061 5.040 317 3HG1 VAL 45 3HG1 VAL 45 12.852 10.112 3.897 318 1HG2 VAL 45 1HG2 VAL 45 9.341 9.081 3.157 319 2HG2 VAL 45 2HG2 VAL 45 10.986 8.486 3.389 320 3HG2 VAL 45 3HG2 VAL 45 10.158 9.309 4.711 321 H CYS 46 H CYS 46 8.064 13.523 2.701 322 HA CYS 46 HA CYS 46 6.377 11.864 1.000 323 1HB CYS 46 1HB CYS 46 6.282 14.649 1.986 324 2HB CYS 46 2HB CYS 46 5.392 14.234 0.526 325 H HIS 47 H HIS 47 7.302 11.056 -0.732 326 HA HIS 47 HA HIS 47 8.456 12.879 -2.771 327 1HB HIS 47 1HB HIS 47 10.547 11.781 -2.836 328 2HB HIS 47 2HB HIS 47 10.267 12.190 -1.146 329 HD1 HIS 47 HD1 HIS 47 8.751 9.708 -0.064 330 HD2 HIS 47 HD2 HIS 47 11.774 9.501 -2.977 331 HE1 HIS 47 HE1 HIS 47 9.447 7.265 -0.209 332 H GLN 48 H GLN 48 7.378 9.513 -2.006 333 HA GLN 48 HA GLN 48 7.840 8.813 -4.814 334 1HB GLN 48 1HB GLN 48 8.896 7.691 -3.044 335 2HB GLN 48 2HB GLN 48 7.404 6.961 -2.467 336 1HG GLN 48 1HG GLN 48 7.278 5.843 -4.759 337 2HG GLN 48 2HG GLN 48 8.799 6.648 -5.173 338 1HE2 GLN 48 2HE2 GLN 48 10.309 6.340 -2.717 339 2HE2 GLN 48 1HE2 GLN 48 10.545 4.616 -2.528 340 H ASP 49 H ASP 49 5.610 6.833 -3.301 341 HA ASP 49 HA ASP 49 4.132 6.463 -5.618 342 1HB ASP 49 1HB ASP 49 4.424 4.815 -3.855 343 2HB ASP 49 2HB ASP 49 3.576 5.795 -2.690 344 H CYS 50 H CYS 50 1.785 6.824 -6.102 345 HA CYS 50 HA CYS 50 1.119 9.586 -5.410 346 1HB CYS 50 1HB CYS 50 0.887 8.724 -7.777 347 2HB CYS 50 2HB CYS 50 -0.521 7.821 -7.166 348 H VAL 51 H VAL 51 0.075 10.025 -3.584 349 HA VAL 51 HA VAL 51 -2.176 8.298 -2.725 350 HB VAL 51 HB VAL 51 -1.262 8.244 -0.414 351 1HG1 VAL 51 1HG1 VAL 51 -1.004 6.277 -1.892 352 2HG1 VAL 51 2HG1 VAL 51 0.590 6.876 -2.398 353 3HG1 VAL 51 3HG1 VAL 51 0.312 6.431 -0.711 354 1HG2 VAL 51 1HG2 VAL 51 0.385 10.179 -0.722 355 2HG2 VAL 51 2HG2 VAL 51 1.078 8.724 0.023 356 3HG2 VAL 51 3HG2 VAL 51 1.374 9.099 -1.691 357 H CYS 52 H CYS 52 -3.415 9.357 -1.023 358 HA CYS 52 HA CYS 52 -4.601 11.627 -1.395 359 1HB CYS 52 1HB CYS 52 -5.214 10.346 0.447 360 2HB CYS 52 2HB CYS 52 -3.667 10.595 1.270 361 H GLU 53 H GLU 53 -4.201 13.612 -1.913 362 HA GLU 53 HA GLU 53 -1.776 15.018 -1.687 363 1HB GLU 53 1HB GLU 53 -4.663 15.975 -1.789 364 2HB GLU 53 2HB GLU 53 -3.266 17.059 -1.896 365 1HG GLU 53 1HG GLU 53 -2.468 15.862 -3.912 366 2HG GLU 53 2HG GLU 53 -3.790 14.716 -3.780 367 H GLU 54 H GLU 54 -0.669 15.440 0.060 368 HA GLU 54 HA GLU 54 -1.599 15.200 2.695 369 1HB GLU 54 1HB GLU 54 0.984 16.352 1.546 370 2HB GLU 54 2HB GLU 54 0.670 16.123 3.266 371 1HG GLU 54 1HG GLU 54 1.861 14.223 2.618 372 2HG GLU 54 2HG GLU 54 0.191 13.706 2.869 373 H GLY 55 H GLY 55 -3.383 16.581 2.397 374 1HA GLY 55 1HA GLY 55 -3.120 19.200 3.723 375 2HA GLY 55 2HA GLY 55 -3.893 19.173 2.117 376 H PHE 56 H PHE 56 -5.142 16.649 2.130 377 HA PHE 56 HA PHE 56 -7.208 16.933 4.254 378 1HB PHE 56 1HB PHE 56 -7.226 14.915 2.046 379 2HB PHE 56 2HB PHE 56 -8.555 15.602 2.923 380 HD1 PHE 56 HD1 PHE 56 -6.074 16.279 0.234 381 HD2 PHE 56 HD2 PHE 56 -9.703 17.603 2.163 382 HE1 PHE 56 HE1 PHE 56 -6.540 17.745 -1.674 383 HE2 PHE 56 HE2 PHE 56 -10.168 19.083 0.235 384 HZ PHE 56 HZ PHE 56 -8.579 19.187 -1.679 385 H TYR 57 H TYR 57 -7.896 14.313 4.718 386 HA TYR 57 HA TYR 57 -5.380 13.080 5.779 387 1HB TYR 57 1HB TYR 57 -8.235 13.045 6.816 388 2HB TYR 57 2HB TYR 57 -6.917 12.075 7.458 389 HD1 TYR 57 HD1 TYR 57 -8.148 15.572 6.992 390 HD2 TYR 57 HD2 TYR 57 -5.191 13.053 8.873 391 HE1 TYR 57 HE1 TYR 57 -7.220 17.532 8.196 392 HE2 TYR 57 HE2 TYR 57 -4.392 14.973 10.195 393 HH TYR 57 HH TYR 57 -4.608 17.232 10.609 394 H ARG 58 H ARG 58 -5.123 10.844 5.531 395 HA ARG 58 HA ARG 58 -6.654 9.688 3.260 396 1HB ARG 58 1HB ARG 58 -4.999 7.734 3.686 397 2HB ARG 58 2HB ARG 58 -4.558 9.198 2.811 398 1HG ARG 58 1HG ARG 58 -3.326 10.015 4.812 399 2HG ARG 58 2HG ARG 58 -3.820 8.537 5.670 400 1HD ARG 58 1HD ARG 58 -1.565 8.221 4.780 401 2HD ARG 58 2HD ARG 58 -2.691 7.160 3.950 402 HE ARG 58 HE ARG 58 -2.481 8.346 1.975 403 1HH1 ARG 58 1HH1 ARG 58 -0.854 10.143 4.589 404 2HH1 ARG 58 2HH1 ARG 58 0.002 11.189 3.473 405 1HH2 ARG 58 1HH2 ARG 58 -1.584 9.958 0.608 406 2HH2 ARG 58 2HH2 ARG 58 -0.528 11.187 1.226 407 H ASN 59 H ASN 59 -8.584 9.885 4.558 408 HA ASN 59 HA ASN 59 -8.994 8.215 6.886 409 1HB ASN 59 1HB ASN 59 -11.175 9.239 5.028 410 2HB ASN 59 2HB ASN 59 -11.294 8.860 6.744 411 1HD2 ASN 59 2HD2 ASN 59 -10.328 11.200 4.353 412 2HD2 ASN 59 1HD2 ASN 59 -9.999 12.531 5.450 413 H LYS 60 H LYS 60 -10.538 6.399 6.973 414 HA LYS 60 HA LYS 60 -11.190 4.329 6.511 415 1HB LYS 60 1HB LYS 60 -12.052 5.287 3.772 416 2HB LYS 60 2HB LYS 60 -12.780 4.074 4.824 417 1HG LYS 60 1HG LYS 60 -13.214 5.990 6.476 418 2HG LYS 60 2HG LYS 60 -12.723 7.089 5.161 419 1HD LYS 60 1HD LYS 60 -14.539 6.042 3.730 420 2HD LYS 60 2HD LYS 60 -15.013 5.071 5.135 421 1HE LYS 60 1HE LYS 60 -16.487 6.989 5.005 422 2HE LYS 60 2HE LYS 60 -15.445 7.179 6.424 423 1HZ LYS 60 1HZ LYS 60 -15.036 8.477 3.816 424 2HZ LYS 60 2HZ LYS 60 -15.633 9.197 5.177 425 3HZ LYS 60 3HZ LYS 60 -14.083 8.668 5.151 426 H ASP 61 H ASP 61 -9.961 5.232 3.312 427 HA ASP 61 HA ASP 61 -7.732 3.495 3.356 428 1HB ASP 61 1HB ASP 61 -9.320 1.698 2.844 429 2HB ASP 61 2HB ASP 61 -10.016 2.650 1.519 430 H ASP 62 H ASP 62 -6.805 5.479 2.944 431 HA ASP 62 HA ASP 62 -6.265 7.421 1.994 432 1HB ASP 62 1HB ASP 62 -5.259 5.477 0.515 433 2HB ASP 62 2HB ASP 62 -6.319 6.138 -0.727 434 H LYS 63 H LYS 63 -9.090 7.254 2.344 435 HA LYS 63 HA LYS 63 -10.276 8.718 0.089 436 1HB LYS 63 1HB LYS 63 -11.315 8.288 2.913 437 2HB LYS 63 2HB LYS 63 -12.205 8.979 1.568 438 1HG LYS 63 1HG LYS 63 -11.137 6.134 1.791 439 2HG LYS 63 2HG LYS 63 -12.816 6.634 1.948 440 1HD LYS 63 1HD LYS 63 -11.057 6.692 -0.550 441 2HD LYS 63 2HD LYS 63 -12.401 5.609 -0.230 442 1HE LYS 63 1HE LYS 63 -12.603 8.623 -0.703 443 2HE LYS 63 2HE LYS 63 -13.091 7.334 -1.806 444 1HZ LYS 63 1HZ LYS 63 -14.719 6.646 -0.197 445 2HZ LYS 63 2HZ LYS 63 -14.276 7.862 0.826 446 3HZ LYS 63 3HZ LYS 63 -14.950 8.217 -0.634 447 H CYS 64 H CYS 64 -8.589 10.188 -0.072 448 HA CYS 64 HA CYS 64 -7.858 12.172 1.721 449 1HB CYS 64 1HB CYS 64 -7.131 11.575 -0.757 450 2HB CYS 64 2HB CYS 64 -8.133 12.931 -1.150 451 H VAL 65 H VAL 65 -9.682 12.644 2.991 452 HA VAL 65 HA VAL 65 -11.009 15.088 2.027 453 HB VAL 65 HB VAL 65 -13.163 14.507 3.029 454 1HG1 VAL 65 1HG1 VAL 65 -12.791 14.220 0.591 455 2HG1 VAL 65 2HG1 VAL 65 -12.388 12.509 0.869 456 3HG1 VAL 65 3HG1 VAL 65 -14.011 13.114 1.247 457 1HG2 VAL 65 1HG2 VAL 65 -12.375 12.717 4.572 458 2HG2 VAL 65 2HG2 VAL 65 -13.793 12.257 3.621 459 3HG2 VAL 65 3HG2 VAL 65 -12.199 11.624 3.188 460 H SER 66 H SER 66 -11.924 16.368 3.847 461 HA SER 66 HA SER 66 -9.878 17.102 5.451 462 1HB SER 66 1HB SER 66 -12.795 17.681 6.012 463 2HB SER 66 2HB SER 66 -11.418 18.799 6.135 464 HG SER 66 HG SER 66 -12.732 19.058 4.224 465 H ALA 67 H ALA 67 -9.857 17.539 7.775 466 HA ALA 67 HA ALA 67 -9.836 15.433 9.514 467 1HB ALA 67 1HB ALA 67 -8.837 17.623 9.990 468 2HB ALA 67 2HB ALA 67 -10.453 18.338 10.169 469 3HB ALA 67 3HB ALA 67 -9.888 17.107 11.317 470 H GLU 68 H GLU 68 -12.444 17.628 8.798 471 HA GLU 68 HA GLU 68 -14.588 17.124 10.372 472 1HB GLU 68 1HB GLU 68 -14.697 17.042 7.321 473 2HB GLU 68 2HB GLU 68 -15.989 17.514 8.423 474 1HG GLU 68 1HG GLU 68 -14.699 19.501 9.128 475 2HG GLU 68 2HG GLU 68 -13.363 19.063 8.054 476 H ASP 69 H ASP 69 -13.428 14.960 7.747 477 HA ASP 69 HA ASP 69 -15.485 12.939 8.264 478 1HB ASP 69 1HB ASP 69 -14.538 13.319 5.991 479 2HB ASP 69 2HB ASP 69 -12.946 12.830 6.619 480 H CYS 70 H CYS 70 -11.918 13.233 8.656 481 HA CYS 70 HA CYS 70 -11.234 10.819 9.697 482 1HB CYS 70 1HB CYS 70 -9.462 12.376 9.454 483 2HB CYS 70 2HB CYS 70 -10.295 13.588 10.419 484 H GLU 71 H GLU 71 -12.381 13.543 11.748 485 HA GLU 71 HA GLU 71 -12.332 12.194 14.211 486 1HB GLU 71 1HB GLU 71 -14.181 14.376 13.155 487 2HB GLU 71 2HB GLU 71 -14.351 13.697 14.776 488 1HG GLU 71 1HG GLU 71 -13.059 15.623 15.079 489 2HG GLU 71 2HG GLU 71 -11.937 14.274 15.248 490 H LEU 72 H LEU 72 -14.733 11.958 11.638 491 HA LEU 72 HA LEU 72 -16.668 10.491 13.336 492 1HB LEU 72 1HB LEU 72 -16.888 11.536 10.490 493 2HB LEU 72 2HB LEU 72 -18.198 10.849 11.455 494 HG LEU 72 HG LEU 72 -16.695 13.436 12.096 495 1HD1 LEU 72 1HD1 LEU 72 -18.124 13.598 10.092 496 2HD1 LEU 72 2HD1 LEU 72 -19.506 12.971 11.018 497 3HD1 LEU 72 3HD1 LEU 72 -18.785 14.541 11.438 498 1HD2 LEU 72 1HD2 LEU 72 -19.102 12.126 13.443 499 2HD2 LEU 72 2HD2 LEU 72 -17.506 12.416 14.172 500 3HD2 LEU 72 3HD2 LEU 72 -18.540 13.782 13.748 501 H ASP 73 H ASP 73 -14.299 9.934 10.835 502 HA ASP 73 HA ASP 73 -15.168 7.645 9.565 503 1HB ASP 73 1HB ASP 73 -13.125 8.885 9.046 504 2HB ASP 73 2HB ASP 73 -12.380 8.351 10.550 505 H ASN 74 H ASN 74 -13.834 7.925 12.835 506 HA ASN 74 HA ASN 74 -13.520 5.296 13.648 507 1HB ASN 74 1HB ASN 74 -13.180 7.481 14.929 508 2HB ASN 74 2HB ASN 74 -14.889 7.397 15.359 509 1HD2 ASN 74 2HD2 ASN 74 -15.087 4.476 15.886 510 2HD2 ASN 74 1HD2 ASN 74 -14.098 4.219 17.301 511 H MET 75 H MET 75 -16.622 6.950 13.004 512 HA MET 75 HA MET 75 -18.338 5.153 14.381 513 1HB MET 75 1HB MET 75 -18.860 7.435 13.464 514 2HB MET 75 2HB MET 75 -18.895 6.733 11.835 515 1HG MET 75 1HG MET 75 -20.712 5.170 12.638 516 2HG MET 75 2HG MET 75 -20.702 6.029 14.182 517 1HE MET 75 1HE MET 75 -21.241 8.674 14.347 518 2HE MET 75 2HE MET 75 -20.262 9.130 12.926 519 3HE MET 75 3HE MET 75 -21.970 9.605 13.017 520 H ASP 76 H ASP 76 -16.868 5.086 11.124 521 HA ASP 76 HA ASP 76 -18.168 2.475 10.537 522 1HB ASP 76 1HB ASP 76 -17.446 2.675 8.322 523 2HB ASP 76 2HB ASP 76 -18.168 4.221 8.784 524 H PHE 77 H PHE 77 -15.249 3.868 11.661 525 HA PHE 77 HA PHE 77 -13.737 2.928 13.005 526 1HB PHE 77 1HB PHE 77 -14.325 0.193 11.837 527 2HB PHE 77 2HB PHE 77 -13.139 0.565 13.052 528 HD1 PHE 77 HD1 PHE 77 -13.878 1.742 15.238 529 HD2 PHE 77 HD2 PHE 77 -16.615 -0.225 12.539 530 HE1 PHE 77 HE1 PHE 77 -15.581 1.640 17.031 531 HE2 PHE 77 HE2 PHE 77 -18.329 -0.271 14.323 532 HZ PHE 77 HZ PHE 77 -17.814 0.648 16.577 533 H ILE 78 H ILE 78 -11.625 3.252 12.730 534 HA ILE 78 HA ILE 78 -10.848 3.754 9.953 535 HB ILE 78 HB ILE 78 -9.271 4.366 12.475 536 1HG1 ILE 78 1HG1 ILE 78 -11.736 5.631 11.297 537 2HG1 ILE 78 2HG1 ILE 78 -11.258 5.408 12.982 538 1HG2 ILE 78 1HG2 ILE 78 -8.065 4.496 10.302 539 2HG2 ILE 78 2HG2 ILE 78 -9.307 5.599 9.679 540 3HG2 ILE 78 3HG2 ILE 78 -8.257 6.085 11.028 541 1HD1 ILE 78 1HD1 ILE 78 -9.567 7.225 12.669 542 2HD1 ILE 78 2HD1 ILE 78 -10.230 7.511 11.049 543 3HD1 ILE 78 3HD1 ILE 78 -11.248 7.758 12.478 544 H TYR 79 H TYR 79 -10.958 1.459 9.479 545 HA TYR 79 HA TYR 79 -9.539 -0.563 10.573 546 1HB TYR 79 1HB TYR 79 -10.000 -0.235 7.590 547 2HB TYR 79 2HB TYR 79 -9.562 -1.723 8.412 548 HD1 TYR 79 HD1 TYR 79 -11.118 -2.694 10.175 549 HD2 TYR 79 HD2 TYR 79 -12.296 0.497 7.523 550 HE1 TYR 79 HE1 TYR 79 -13.491 -3.013 10.832 551 HE2 TYR 79 HE2 TYR 79 -14.646 0.198 8.207 552 HH TYR 79 HH TYR 79 -15.926 -0.646 9.985 553 HA PRO 80 HA PRO 80 -5.632 0.170 7.787 554 1HB PRO 80 1HB PRO 80 -5.463 3.169 8.129 555 2HB PRO 80 2HB PRO 80 -4.836 2.156 6.789 556 1HG PRO 80 1HG PRO 80 -7.159 3.503 6.463 557 2HG PRO 80 2HG PRO 80 -7.044 1.801 5.926 558 1HD PRO 80 1HD PRO 80 -8.227 2.872 8.485 559 2HD PRO 80 2HD PRO 80 -8.915 1.663 7.370 560 H GLY 81 H GLY 81 -3.775 -0.220 8.932 561 1HA GLY 81 1HA GLY 81 -2.286 0.156 10.843 562 2HA GLY 81 2HA GLY 81 -3.699 0.588 11.830 563 H THR 82 H THR 82 -5.536 -1.346 10.714 564 HA THR 82 HA THR 82 -4.744 -3.809 12.041 565 HB THR 82 HB THR 82 -7.109 -3.433 10.160 566 HG1 THR 82 HG1 THR 82 -7.327 -1.795 11.530 567 1HG2 THR 82 1HG2 THR 82 -6.654 -5.738 10.996 568 2HG2 THR 82 2HG2 THR 82 -6.691 -5.124 12.668 569 3HG2 THR 82 3HG2 THR 82 -8.155 -5.069 11.666 570 H ARG 83 H ARG 83 -2.712 -3.836 10.730 571 HA ARG 83 HA ARG 83 -1.365 -4.882 9.329 572 1HB ARG 83 1HB ARG 83 -2.739 -6.870 9.505 573 2HB ARG 83 2HB ARG 83 -3.810 -6.320 8.219 574 1HG ARG 83 1HG ARG 83 -2.326 -8.059 7.457 575 2HG ARG 83 2HG ARG 83 -2.075 -6.573 6.544 576 1HD ARG 83 1HD ARG 83 -0.316 -7.429 8.885 577 2HD ARG 83 2HD ARG 83 0.021 -7.870 7.195 578 HE ARG 83 HE ARG 83 -0.322 -5.171 7.036 579 1HH1 ARG 83 1HH1 ARG 83 1.934 -7.142 8.906 580 2HH1 ARG 83 2HH1 ARG 83 2.913 -5.777 9.377 581 1HH2 ARG 83 1HH2 ARG 83 0.759 -3.464 7.720 582 2HH2 ARG 83 2HH2 ARG 83 2.276 -3.586 8.597 583 H ASN 84 H ASN 84 -4.294 -4.020 7.424 584 HA ASN 84 HA ASN 84 -3.003 -3.172 5.067 585 1HB ASN 84 1HB ASN 84 -5.402 -3.457 5.170 586 2HB ASN 84 2HB ASN 84 -5.563 -2.182 6.388 587 1HD2 ASN 84 2HD2 ASN 84 -5.084 0.086 5.729 588 2HD2 ASN 84 1HD2 ASN 84 -5.205 0.510 4.034 589 HA PRO 85 HA PRO 85 -0.806 0.290 6.906 590 1HB PRO 85 1HB PRO 85 0.225 1.515 4.682 591 2HB PRO 85 2HB PRO 85 0.804 -0.058 5.293 592 1HG PRO 85 1HG PRO 85 -1.197 0.441 3.074 593 2HG PRO 85 2HG PRO 85 0.223 -0.644 3.044 594 1HD PRO 85 1HD PRO 85 -2.299 -1.539 3.580 595 2HD PRO 85 2HD PRO 85 -0.874 -2.245 4.415 Start of MODEL 12 1 1H LYS 1 1H LYS 1 7.995 19.221 -4.923 2 2H LYS 1 2H LYS 1 6.896 19.717 -3.801 3 3H LYS 1 3H LYS 1 8.488 19.586 -3.392 4 HA LYS 1 HA LYS 1 8.468 17.250 -3.717 5 1HB LYS 1 1HB LYS 1 8.020 18.130 -1.493 6 2HB LYS 1 2HB LYS 1 6.294 18.260 -1.838 7 1HG LYS 1 1HG LYS 1 6.097 15.836 -2.093 8 2HG LYS 1 2HG LYS 1 7.836 15.613 -1.875 9 1HD LYS 1 1HD LYS 1 6.259 17.043 0.290 10 2HD LYS 1 2HD LYS 1 6.041 15.308 0.093 11 1HE LYS 1 1HE LYS 1 7.726 15.724 1.784 12 2HE LYS 1 2HE LYS 1 8.429 14.878 0.400 13 1HZ LYS 1 1HZ LYS 1 8.626 17.767 0.913 14 2HZ LYS 1 2HZ LYS 1 9.812 16.658 1.196 15 3HZ LYS 1 3HZ LYS 1 9.320 16.959 -0.345 16 H ALA 2 H ALA 2 5.015 18.341 -3.661 17 HA ALA 2 HA ALA 2 4.214 15.912 -4.934 18 1HB ALA 2 1HB ALA 2 2.813 16.964 -3.277 19 2HB ALA 2 2HB ALA 2 2.577 18.381 -4.334 20 3HB ALA 2 3HB ALA 2 1.981 16.775 -4.828 21 H THR 3 H THR 3 5.595 16.066 -6.847 22 HA THR 3 HA THR 3 5.247 18.002 -8.903 23 HB THR 3 HB THR 3 6.362 16.078 -10.238 24 HG1 THR 3 HG1 THR 3 7.061 14.364 -8.859 25 1HG2 THR 3 1HG2 THR 3 7.676 17.870 -9.128 26 2HG2 THR 3 2HG2 THR 3 7.661 16.950 -7.609 27 3HG2 THR 3 3HG2 THR 3 8.502 16.305 -9.032 28 H MET 4 H MET 4 4.422 14.549 -9.286 29 HA MET 4 HA MET 4 2.366 15.293 -11.224 30 1HB MET 4 1HB MET 4 1.884 12.882 -11.415 31 2HB MET 4 2HB MET 4 3.486 13.413 -11.899 32 1HG MET 4 1HG MET 4 2.991 12.173 -9.187 33 2HG MET 4 2HG MET 4 3.203 11.193 -10.622 34 1HE MET 4 1HE MET 4 5.363 10.888 -12.017 35 2HE MET 4 2HE MET 4 5.526 12.634 -12.342 36 3HE MET 4 3HE MET 4 6.893 11.724 -11.674 37 H GLN 5 H GLN 5 0.369 15.868 -10.790 38 HA GLN 5 HA GLN 5 -0.896 15.408 -8.192 39 1HB GLN 5 1HB GLN 5 -2.138 16.563 -10.706 40 2HB GLN 5 2HB GLN 5 -2.684 16.718 -9.031 41 1HG GLN 5 1HG GLN 5 -0.260 17.995 -10.348 42 2HG GLN 5 2HG GLN 5 -1.693 18.786 -9.702 43 1HE2 GLN 5 2HE2 GLN 5 1.529 17.837 -9.017 44 2HE2 GLN 5 1HE2 GLN 5 1.525 18.207 -7.329 45 H CYS 6 H CYS 6 -0.376 12.958 -8.763 46 HA CYS 6 HA CYS 6 -1.144 11.446 -10.739 47 1HB CYS 6 1HB CYS 6 -1.075 9.563 -9.366 48 2HB CYS 6 2HB CYS 6 -0.124 10.773 -8.505 49 H GLY 7 H GLY 7 -3.648 12.494 -8.375 50 1HA GLY 7 1HA GLY 7 -5.710 11.696 -10.384 51 2HA GLY 7 2HA GLY 7 -5.831 11.025 -8.748 52 H GLU 8 H GLU 8 -4.519 14.230 -9.361 53 HA GLU 8 HA GLU 8 -5.056 16.253 -8.694 54 1HB GLU 8 1HB GLU 8 -6.766 15.984 -10.491 55 2HB GLU 8 2HB GLU 8 -7.963 15.507 -9.274 56 1HG GLU 8 1HG GLU 8 -7.724 17.719 -8.168 57 2HG GLU 8 2HG GLU 8 -6.482 18.177 -9.347 58 H ASN 9 H ASN 9 -7.738 14.367 -7.270 59 HA ASN 9 HA ASN 9 -7.633 15.724 -4.714 60 1HB ASN 9 1HB ASN 9 -8.703 12.976 -5.467 61 2HB ASN 9 2HB ASN 9 -8.969 13.784 -3.918 62 1HD2 ASN 9 2HD2 ASN 9 -9.950 16.160 -4.160 63 2HD2 ASN 9 1HD2 ASN 9 -11.260 16.238 -5.328 64 H GLU 10 H GLU 10 -5.462 13.602 -6.271 65 HA GLU 10 HA GLU 10 -4.021 13.158 -3.764 66 1HB GLU 10 1HB GLU 10 -4.366 11.041 -5.933 67 2HB GLU 10 2HB GLU 10 -3.501 10.870 -4.388 68 1HG GLU 10 1HG GLU 10 -5.792 11.380 -3.293 69 2HG GLU 10 2HG GLU 10 -6.486 11.200 -4.917 70 H LYS 11 H LYS 11 -1.775 13.262 -4.044 71 HA LYS 11 HA LYS 11 -0.633 13.936 -6.643 72 1HB LYS 11 1HB LYS 11 0.079 16.150 -5.890 73 2HB LYS 11 2HB LYS 11 -1.678 16.044 -5.730 74 1HG LYS 11 1HG LYS 11 -1.377 15.460 -3.284 75 2HG LYS 11 2HG LYS 11 0.363 15.719 -3.477 76 1HD LYS 11 1HD LYS 11 -0.290 18.077 -4.385 77 2HD LYS 11 2HD LYS 11 -1.876 17.753 -3.686 78 1HE LYS 11 1HE LYS 11 0.831 17.902 -2.275 79 2HE LYS 11 2HE LYS 11 -0.560 18.962 -2.038 80 1HZ LYS 11 1HZ LYS 11 -0.422 16.099 -1.334 81 2HZ LYS 11 2HZ LYS 11 -0.288 17.352 -0.279 82 3HZ LYS 11 3HZ LYS 11 -1.710 17.077 -1.058 83 H TYR 12 H TYR 12 1.698 14.093 -6.589 84 HA TYR 12 HA TYR 12 2.774 11.892 -5.488 85 1HB TYR 12 1HB TYR 12 3.689 13.185 -7.343 86 2HB TYR 12 2HB TYR 12 4.426 14.297 -6.223 87 HD1 TYR 12 HD1 TYR 12 4.447 10.854 -7.516 88 HD2 TYR 12 HD2 TYR 12 6.353 13.613 -4.812 89 HE1 TYR 12 HE1 TYR 12 6.321 9.277 -7.230 90 HE2 TYR 12 HE2 TYR 12 8.133 11.936 -4.378 91 HH TYR 12 HH TYR 12 7.828 8.653 -5.460 92 H ASP 13 H ASP 13 3.949 11.230 -3.728 93 HA ASP 13 HA ASP 13 5.262 12.921 -1.856 94 1HB ASP 13 1HB ASP 13 2.963 13.304 -0.960 95 2HB ASP 13 2HB ASP 13 2.735 11.540 -0.893 96 H SER 14 H SER 14 7.030 11.517 -2.060 97 HA SER 14 HA SER 14 6.643 8.627 -1.735 98 1HB SER 14 1HB SER 14 8.568 9.772 -3.034 99 2HB SER 14 2HB SER 14 9.305 10.004 -1.436 100 HG SER 14 HG SER 14 9.842 7.982 -2.487 101 H CYS 15 H CYS 15 7.532 7.515 0.138 102 HA CYS 15 HA CYS 15 8.405 7.238 2.305 103 1HB CYS 15 1HB CYS 15 7.802 10.129 2.997 104 2HB CYS 15 2HB CYS 15 8.744 8.969 3.892 105 H GLY 16 H GLY 16 5.893 6.565 1.357 106 1HA GLY 16 1HA GLY 16 4.458 6.481 3.902 107 2HA GLY 16 2HA GLY 16 3.847 7.696 2.748 108 H SER 17 H SER 17 3.836 4.335 3.638 109 HA SER 17 HA SER 17 2.459 3.218 1.381 110 1HB SER 17 1HB SER 17 1.573 1.748 3.355 111 2HB SER 17 2HB SER 17 3.324 1.753 3.059 112 HG SER 17 HG SER 17 2.863 2.123 5.281 113 H LYS 18 H LYS 18 1.458 4.478 4.515 114 HA LYS 18 HA LYS 18 -0.648 6.213 3.348 115 1HB LYS 18 1HB LYS 18 -2.284 5.598 5.080 116 2HB LYS 18 2HB LYS 18 -1.920 4.235 4.014 117 1HG LYS 18 1HG LYS 18 -0.526 3.181 5.716 118 2HG LYS 18 2HG LYS 18 -0.616 4.618 6.746 119 1HD LYS 18 1HD LYS 18 -2.113 2.935 7.619 120 2HD LYS 18 2HD LYS 18 -3.050 4.316 7.030 121 1HE LYS 18 1HE LYS 18 -3.611 3.079 4.959 122 2HE LYS 18 2HE LYS 18 -2.594 1.721 5.472 123 1HZ LYS 18 1HZ LYS 18 -4.996 2.699 6.866 124 2HZ LYS 18 2HZ LYS 18 -4.896 1.362 5.908 125 3HZ LYS 18 3HZ LYS 18 -4.061 1.419 7.330 126 H GLU 19 H GLU 19 1.711 6.770 3.794 127 HA GLU 19 HA GLU 19 3.232 8.074 4.773 128 1HB GLU 19 1HB GLU 19 2.441 10.412 4.350 129 2HB GLU 19 2HB GLU 19 2.369 9.254 3.071 130 1HG GLU 19 1HG GLU 19 0.443 10.473 2.823 131 2HG GLU 19 2HG GLU 19 -0.089 8.904 3.390 132 H CYS 20 H CYS 20 0.645 8.151 7.119 133 HA CYS 20 HA CYS 20 0.586 9.027 9.193 134 1HB CYS 20 1HB CYS 20 2.446 7.351 9.425 135 2HB CYS 20 2HB CYS 20 3.570 8.715 9.350 136 H ASP 21 H ASP 21 1.020 10.740 6.841 137 HA ASP 21 HA ASP 21 2.538 13.122 7.747 138 1HB ASP 21 1HB ASP 21 3.215 12.203 5.558 139 2HB ASP 21 2HB ASP 21 1.555 12.240 4.992 140 H LYS 22 H LYS 22 -0.234 13.041 5.502 141 HA LYS 22 HA LYS 22 -1.827 14.758 7.336 142 1HB LYS 22 1HB LYS 22 -2.274 13.912 4.449 143 2HB LYS 22 2HB LYS 22 -3.311 14.988 5.406 144 1HG LYS 22 1HG LYS 22 -1.349 16.523 5.734 145 2HG LYS 22 2HG LYS 22 -0.414 15.530 4.616 146 1HD LYS 22 1HD LYS 22 -2.989 17.052 4.013 147 2HD LYS 22 2HD LYS 22 -1.359 17.485 3.474 148 1HE LYS 22 1HE LYS 22 -3.029 15.082 2.597 149 2HE LYS 22 2HE LYS 22 -2.552 16.475 1.636 150 1HZ LYS 22 1HZ LYS 22 -0.265 15.787 1.872 151 2HZ LYS 22 2HZ LYS 22 -0.743 14.430 2.679 152 3HZ LYS 22 3HZ LYS 22 -1.212 14.669 1.111 153 H LYS 23 H LYS 23 -1.578 12.724 8.692 154 HA LYS 23 HA LYS 23 -3.228 10.450 7.878 155 1HB LYS 23 1HB LYS 23 -2.478 9.347 9.794 156 2HB LYS 23 2HB LYS 23 -1.123 10.164 9.017 157 1HG LYS 23 1HG LYS 23 -2.544 11.046 11.588 158 2HG LYS 23 2HG LYS 23 -1.023 10.163 11.476 159 1HD LYS 23 1HD LYS 23 -0.098 12.131 10.134 160 2HD LYS 23 2HD LYS 23 -1.535 13.046 10.682 161 1HE LYS 23 1HE LYS 23 -0.868 12.504 13.044 162 2HE LYS 23 2HE LYS 23 0.580 11.696 12.408 163 1HZ LYS 23 1HZ LYS 23 1.249 13.752 11.427 164 2HZ LYS 23 2HZ LYS 23 -0.060 14.529 12.058 165 3HZ LYS 23 3HZ LYS 23 1.084 13.892 13.065 166 H CYS 24 H CYS 24 -5.103 9.713 8.880 167 HA CYS 24 HA CYS 24 -6.860 11.718 10.076 168 1HB CYS 24 1HB CYS 24 -7.877 9.969 8.817 169 2HB CYS 24 2HB CYS 24 -7.045 8.709 9.760 170 H LYS 25 H LYS 25 -6.380 12.430 12.066 171 HA LYS 25 HA LYS 25 -4.620 11.096 13.807 172 1HB LYS 25 1HB LYS 25 -4.961 12.917 15.327 173 2HB LYS 25 2HB LYS 25 -4.564 13.434 13.697 174 1HG LYS 25 1HG LYS 25 -7.341 13.530 14.973 175 2HG LYS 25 2HG LYS 25 -6.201 14.854 14.936 176 1HD LYS 25 1HD LYS 25 -7.720 13.652 12.606 177 2HD LYS 25 2HD LYS 25 -7.842 15.253 13.295 178 1HE LYS 25 1HE LYS 25 -5.422 14.237 11.721 179 2HE LYS 25 2HE LYS 25 -6.636 15.402 11.191 180 1HZ LYS 25 1HZ LYS 25 -5.930 16.830 12.995 181 2HZ LYS 25 2HZ LYS 25 -4.741 15.760 13.402 182 3HZ LYS 25 3HZ LYS 25 -4.710 16.504 11.937 183 H TYR 26 H TYR 26 -6.025 9.046 13.724 184 HA TYR 26 HA TYR 26 -7.990 8.813 15.923 185 1HB TYR 26 1HB TYR 26 -6.457 6.802 14.215 186 2HB TYR 26 2HB TYR 26 -7.514 6.344 15.549 187 HD1 TYR 26 HD1 TYR 26 -9.379 8.988 14.314 188 HD2 TYR 26 HD2 TYR 26 -8.053 5.034 13.176 189 HE1 TYR 26 HE1 TYR 26 -11.558 8.541 13.363 190 HE2 TYR 26 HE2 TYR 26 -10.201 4.686 11.982 191 HH TYR 26 HH TYR 26 -12.737 7.165 11.861 192 H ASP 27 H ASP 27 -6.488 10.172 17.180 193 HA ASP 27 HA ASP 27 -4.503 8.551 18.700 194 1HB ASP 27 1HB ASP 27 -5.309 11.489 18.872 195 2HB ASP 27 2HB ASP 27 -4.176 10.654 19.936 196 H GLY 28 H GLY 28 -4.926 8.396 21.056 197 1HA GLY 28 1HA GLY 28 -7.303 7.408 21.874 198 2HA GLY 28 2HA GLY 28 -6.232 8.282 22.970 199 H VAL 29 H VAL 29 -9.236 8.316 21.279 200 HA VAL 29 HA VAL 29 -11.103 9.484 21.458 201 HB VAL 29 HB VAL 29 -10.025 10.862 23.933 202 1HG1 VAL 29 1HG1 VAL 29 -12.825 9.947 23.106 203 2HG1 VAL 29 2HG1 VAL 29 -12.403 10.641 24.683 204 3HG1 VAL 29 3HG1 VAL 29 -12.288 11.633 23.240 205 1HG2 VAL 29 1HG2 VAL 29 -11.167 8.046 23.673 206 2HG2 VAL 29 2HG2 VAL 29 -9.544 8.479 24.261 207 3HG2 VAL 29 3HG2 VAL 29 -10.960 8.913 25.208 208 H GLU 30 H GLU 30 -8.653 10.546 20.073 209 HA GLU 30 HA GLU 30 -7.798 12.337 19.098 210 1HB GLU 30 1HB GLU 30 -10.390 12.322 18.347 211 2HB GLU 30 2HB GLU 30 -10.361 13.902 19.144 212 1HG GLU 30 1HG GLU 30 -8.327 14.451 17.696 213 2HG GLU 30 2HG GLU 30 -8.573 12.885 16.890 214 H GLU 31 H GLU 31 -8.038 12.248 22.129 215 HA GLU 31 HA GLU 31 -7.742 15.135 22.835 216 1HB GLU 31 1HB GLU 31 -8.113 12.624 24.532 217 2HB GLU 31 2HB GLU 31 -7.770 14.240 25.168 218 1HG GLU 31 1HG GLU 31 -9.840 15.111 24.104 219 2HG GLU 31 2HG GLU 31 -10.226 13.484 23.535 220 H GLU 32 H GLU 32 -6.155 11.920 22.990 221 HA GLU 32 HA GLU 32 -3.646 12.981 24.045 222 1HB GLU 32 1HB GLU 32 -4.277 10.361 22.635 223 2HB GLU 32 2HB GLU 32 -2.807 10.732 23.554 224 1HG GLU 32 1HG GLU 32 -4.142 10.954 25.626 225 2HG GLU 32 2HG GLU 32 -5.624 10.577 24.729 226 H ASP 33 H ASP 33 -3.953 14.736 22.125 227 HA ASP 33 HA ASP 33 -3.439 13.856 19.448 228 1HB ASP 33 1HB ASP 33 -3.612 16.171 18.858 229 2HB ASP 33 2HB ASP 33 -4.880 15.768 20.019 230 H ASP 34 H ASP 34 -1.327 12.735 20.492 231 HA ASP 34 HA ASP 34 1.061 14.398 20.358 232 1HB ASP 34 1HB ASP 34 2.301 12.271 20.329 233 2HB ASP 34 2HB ASP 34 1.193 12.444 21.693 234 H GLU 35 H GLU 35 -0.745 12.335 18.070 235 HA GLU 35 HA GLU 35 -0.576 12.091 15.805 236 1HB GLU 35 1HB GLU 35 -0.353 15.107 16.156 237 2HB GLU 35 2HB GLU 35 -0.735 14.295 14.633 238 1HG GLU 35 1HG GLU 35 -2.684 13.182 15.732 239 2HG GLU 35 2HG GLU 35 -2.371 14.122 17.198 240 H GLU 36 H GLU 36 1.649 11.082 16.393 241 HA GLU 36 HA GLU 36 4.133 12.291 15.936 242 1HB GLU 36 1HB GLU 36 3.227 9.458 15.289 243 2HB GLU 36 2HB GLU 36 4.910 9.990 15.402 244 1HG GLU 36 1HG GLU 36 4.598 10.558 17.787 245 2HG GLU 36 2HG GLU 36 2.897 10.077 17.700 246 HA PRO 37 HA PRO 37 3.342 12.845 11.493 247 1HB PRO 37 1HB PRO 37 5.267 14.647 10.831 248 2HB PRO 37 2HB PRO 37 3.853 15.065 11.839 249 1HG PRO 37 1HG PRO 37 6.633 14.333 12.794 250 2HG PRO 37 2HG PRO 37 5.649 15.742 13.278 251 1HD PRO 37 1HD PRO 37 5.726 13.448 14.765 252 2HD PRO 37 2HD PRO 37 4.235 14.409 14.609 253 H ASN 38 H ASN 38 4.132 12.109 9.600 254 HA ASN 38 HA ASN 38 5.330 10.216 8.645 255 1HB ASN 38 1HB ASN 38 4.790 12.192 7.306 256 2HB ASN 38 2HB ASN 38 6.303 12.967 7.788 257 1HD2 ASN 38 2HD2 ASN 38 5.101 9.903 6.310 258 2HD2 ASN 38 1HD2 ASN 38 6.371 9.735 5.133 259 H VAL 39 H VAL 39 7.742 12.680 9.732 260 HA VAL 39 HA VAL 39 9.931 10.936 9.024 261 HB VAL 39 HB VAL 39 9.948 13.591 10.477 262 1HG1 VAL 39 1HG1 VAL 39 12.234 11.885 9.386 263 2HG1 VAL 39 2HG1 VAL 39 12.375 13.563 9.950 264 3HG1 VAL 39 3HG1 VAL 39 11.960 12.285 11.096 265 1HG2 VAL 39 1HG2 VAL 39 10.593 12.773 7.619 266 2HG2 VAL 39 2HG2 VAL 39 9.170 13.698 8.141 267 3HG2 VAL 39 3HG2 VAL 39 10.786 14.394 8.313 268 HA PRO 40 HA PRO 40 10.613 9.997 13.632 269 1HB PRO 40 1HB PRO 40 8.742 10.771 15.510 270 2HB PRO 40 2HB PRO 40 10.200 11.712 15.087 271 1HG PRO 40 1HG PRO 40 7.407 12.042 13.986 272 2HG PRO 40 2HG PRO 40 8.475 13.321 14.638 273 1HD PRO 40 1HD PRO 40 8.338 12.946 11.980 274 2HD PRO 40 2HD PRO 40 9.932 13.169 12.750 275 H CYS 41 H CYS 41 7.283 10.108 12.326 276 HA CYS 41 HA CYS 41 6.429 7.655 13.592 277 1HB CYS 41 1HB CYS 41 4.973 9.527 12.828 278 2HB CYS 41 2HB CYS 41 5.312 9.060 11.156 279 H LEU 42 H LEU 42 8.821 7.065 12.546 280 HA LEU 42 HA LEU 42 10.100 5.881 11.213 281 1HB LEU 42 1HB LEU 42 9.840 3.582 11.691 282 2HB LEU 42 2HB LEU 42 9.501 4.595 13.076 283 HG LEU 42 HG LEU 42 8.155 2.539 12.840 284 1HD1 LEU 42 1HD1 LEU 42 7.409 4.510 14.221 285 2HD1 LEU 42 2HD1 LEU 42 6.293 4.919 12.900 286 3HD1 LEU 42 3HD1 LEU 42 6.150 3.370 13.719 287 1HD2 LEU 42 1HD2 LEU 42 7.764 2.584 10.390 288 2HD2 LEU 42 2HD2 LEU 42 6.290 2.347 11.343 289 3HD2 LEU 42 3HD2 LEU 42 6.615 3.927 10.621 290 H VAL 43 H VAL 43 7.344 6.350 9.365 291 HA VAL 43 HA VAL 43 7.743 4.134 7.575 292 HB VAL 43 HB VAL 43 5.594 5.044 8.172 293 1HG1 VAL 43 1HG1 VAL 43 6.098 7.486 8.212 294 2HG1 VAL 43 2HG1 VAL 43 6.203 7.476 6.444 295 3HG1 VAL 43 3HG1 VAL 43 4.679 7.077 7.246 296 1HG2 VAL 43 1HG2 VAL 43 5.788 3.722 6.142 297 2HG2 VAL 43 2HG2 VAL 43 4.489 4.919 6.056 298 3HG2 VAL 43 3HG2 VAL 43 5.998 5.203 5.178 299 H ARG 44 H ARG 44 10.184 5.113 7.594 300 HA ARG 44 HA ARG 44 10.631 7.135 5.537 301 1HB ARG 44 1HB ARG 44 12.713 5.295 6.758 302 2HB ARG 44 2HB ARG 44 12.944 6.885 6.032 303 1HG ARG 44 1HG ARG 44 11.763 6.187 8.743 304 2HG ARG 44 2HG ARG 44 13.171 7.175 8.365 305 1HD ARG 44 1HD ARG 44 10.245 7.873 8.069 306 2HD ARG 44 2HD ARG 44 11.469 8.675 9.051 307 HE ARG 44 HE ARG 44 12.578 9.147 6.724 308 1HH1 ARG 44 1HH1 ARG 44 9.092 9.422 7.534 309 2HH1 ARG 44 2HH1 ARG 44 8.785 10.495 6.203 310 1HH2 ARG 44 1HH2 ARG 44 12.086 10.524 4.986 311 2HH2 ARG 44 2HH2 ARG 44 10.448 11.037 4.691 312 H VAL 45 H VAL 45 9.174 4.827 4.588 313 HA VAL 45 HA VAL 45 11.059 3.179 3.006 314 HB VAL 45 HB VAL 45 9.403 2.023 4.256 315 1HG1 VAL 45 1HG1 VAL 45 7.276 3.748 2.940 316 2HG1 VAL 45 2HG1 VAL 45 6.947 2.225 3.783 317 3HG1 VAL 45 3HG1 VAL 45 7.648 3.573 4.667 318 1HG2 VAL 45 1HG2 VAL 45 9.978 1.191 1.963 319 2HG2 VAL 45 2HG2 VAL 45 8.459 0.596 2.658 320 3HG2 VAL 45 3HG2 VAL 45 8.415 1.849 1.418 321 H CYS 46 H CYS 46 11.502 5.534 2.239 322 HA CYS 46 HA CYS 46 9.640 6.919 0.600 323 1HB CYS 46 1HB CYS 46 12.632 7.144 0.814 324 2HB CYS 46 2HB CYS 46 11.591 8.344 0.045 325 H HIS 47 H HIS 47 8.920 5.083 -0.780 326 HA HIS 47 HA HIS 47 10.148 5.654 -3.418 327 1HB HIS 47 1HB HIS 47 10.310 3.308 -4.051 328 2HB HIS 47 2HB HIS 47 11.367 3.682 -2.691 329 HD1 HIS 47 HD1 HIS 47 7.701 2.443 -2.907 330 HD2 HIS 47 HD2 HIS 47 11.353 1.716 -0.961 331 HE1 HIS 47 HE1 HIS 47 7.261 0.572 -1.186 332 H GLN 48 H GLN 48 7.679 6.507 -2.269 333 HA GLN 48 HA GLN 48 5.631 4.832 -3.684 334 1HB GLN 48 1HB GLN 48 5.237 6.998 -1.600 335 2HB GLN 48 2HB GLN 48 3.941 6.242 -2.496 336 1HG GLN 48 1HG GLN 48 4.037 4.978 -0.543 337 2HG GLN 48 2HG GLN 48 4.768 3.971 -1.777 338 1HE2 GLN 48 2HE2 GLN 48 5.925 2.744 -0.123 339 2HE2 GLN 48 1HE2 GLN 48 7.352 3.488 0.609 340 H ASP 49 H ASP 49 3.767 6.135 -4.442 341 HA ASP 49 HA ASP 49 4.629 8.090 -6.494 342 1HB ASP 49 1HB ASP 49 3.449 6.205 -7.412 343 2HB ASP 49 2HB ASP 49 2.110 6.404 -6.280 344 H CYS 50 H CYS 50 1.319 8.093 -5.434 345 HA CYS 50 HA CYS 50 1.709 10.715 -4.103 346 1HB CYS 50 1HB CYS 50 -0.522 11.197 -5.118 347 2HB CYS 50 2HB CYS 50 0.682 10.803 -6.345 348 H VAL 51 H VAL 51 -0.050 11.498 -2.866 349 HA VAL 51 HA VAL 51 -1.729 9.574 -1.427 350 HB VAL 51 HB VAL 51 -1.073 10.314 0.763 351 1HG1 VAL 51 1HG1 VAL 51 0.265 8.479 -0.189 352 2HG1 VAL 51 2HG1 VAL 51 1.481 9.638 -0.763 353 3HG1 VAL 51 3HG1 VAL 51 1.201 9.440 0.961 354 1HG2 VAL 51 1HG2 VAL 51 0.664 12.338 -0.682 355 2HG2 VAL 51 2HG2 VAL 51 -0.582 12.614 0.537 356 3HG2 VAL 51 3HG2 VAL 51 0.951 11.888 1.013 357 H CYS 52 H CYS 52 -2.957 11.311 0.279 358 HA CYS 52 HA CYS 52 -4.725 12.558 -1.471 359 1HB CYS 52 1HB CYS 52 -4.421 13.254 1.461 360 2HB CYS 52 2HB CYS 52 -5.864 13.367 0.449 361 H GLU 53 H GLU 53 -5.392 14.684 -1.855 362 HA GLU 53 HA GLU 53 -3.400 16.722 -2.075 363 1HB GLU 53 1HB GLU 53 -5.187 18.192 -2.726 364 2HB GLU 53 2HB GLU 53 -5.398 16.637 -3.529 365 1HG GLU 53 1HG GLU 53 -7.150 16.023 -1.867 366 2HG GLU 53 2HG GLU 53 -6.918 17.559 -1.023 367 H GLU 54 H GLU 54 -3.313 18.792 -0.972 368 HA GLU 54 HA GLU 54 -3.568 18.626 1.888 369 1HB GLU 54 1HB GLU 54 -3.223 20.997 -0.011 370 2HB GLU 54 2HB GLU 54 -3.201 21.141 1.752 371 1HG GLU 54 1HG GLU 54 -1.256 19.687 1.932 372 2HG GLU 54 2HG GLU 54 -1.295 19.341 0.201 373 H GLY 55 H GLY 55 -5.162 19.115 3.192 374 1HA GLY 55 1HA GLY 55 -7.264 20.173 3.792 375 2HA GLY 55 2HA GLY 55 -7.768 20.129 2.096 376 H PHE 56 H PHE 56 -6.551 17.357 1.709 377 HA PHE 56 HA PHE 56 -8.649 15.763 3.100 378 1HB PHE 56 1HB PHE 56 -7.059 15.297 0.565 379 2HB PHE 56 2HB PHE 56 -8.025 14.066 1.378 380 HD1 PHE 56 HD1 PHE 56 -9.808 17.179 1.651 381 HD2 PHE 56 HD2 PHE 56 -8.791 14.063 -1.158 382 HE1 PHE 56 HE1 PHE 56 -11.905 17.581 0.442 383 HE2 PHE 56 HE2 PHE 56 -10.946 14.420 -2.316 384 HZ PHE 56 HZ PHE 56 -12.497 16.199 -1.542 385 H TYR 57 H TYR 57 -7.956 13.706 3.943 386 HA TYR 57 HA TYR 57 -5.099 13.506 4.715 387 1HB TYR 57 1HB TYR 57 -7.580 13.418 6.496 388 2HB TYR 57 2HB TYR 57 -6.018 12.789 6.989 389 HD1 TYR 57 HD1 TYR 57 -7.635 15.989 5.779 390 HD2 TYR 57 HD2 TYR 57 -4.559 14.179 8.186 391 HE1 TYR 57 HE1 TYR 57 -7.030 18.204 6.660 392 HE2 TYR 57 HE2 TYR 57 -3.942 16.405 9.067 393 HH TYR 57 HH TYR 57 -5.639 19.390 8.078 394 H ARG 58 H ARG 58 -4.579 11.207 5.193 395 HA ARG 58 HA ARG 58 -6.053 9.601 3.222 396 1HB ARG 58 1HB ARG 58 -4.260 7.956 3.553 397 2HB ARG 58 2HB ARG 58 -3.654 9.573 3.243 398 1HG ARG 58 1HG ARG 58 -2.323 8.419 4.887 399 2HG ARG 58 2HG ARG 58 -3.057 9.853 5.613 400 1HD ARG 58 1HD ARG 58 -4.657 8.501 6.813 401 2HD ARG 58 2HD ARG 58 -4.187 7.032 5.903 402 HE ARG 58 HE ARG 58 -1.870 7.653 7.044 403 1HH1 ARG 58 1HH1 ARG 58 -5.211 7.083 8.223 404 2HH1 ARG 58 2HH1 ARG 58 -4.673 6.409 9.732 405 1HH2 ARG 58 1HH2 ARG 58 -1.218 6.754 9.021 406 2HH2 ARG 58 2HH2 ARG 58 -2.378 6.187 10.194 407 H ASN 59 H ASN 59 -7.743 10.180 5.385 408 HA ASN 59 HA ASN 59 -9.117 9.207 6.927 409 1HB ASN 59 1HB ASN 59 -9.542 8.649 4.373 410 2HB ASN 59 2HB ASN 59 -9.353 6.982 4.887 411 1HD2 ASN 59 2HD2 ASN 59 -11.607 9.187 4.162 412 2HD2 ASN 59 1HD2 ASN 59 -12.868 8.887 5.364 413 H LYS 60 H LYS 60 -9.830 6.371 7.098 414 HA LYS 60 HA LYS 60 -7.849 5.290 8.878 415 1HB LYS 60 1HB LYS 60 -9.264 3.309 8.861 416 2HB LYS 60 2HB LYS 60 -10.205 4.793 9.042 417 1HG LYS 60 1HG LYS 60 -10.758 4.628 6.522 418 2HG LYS 60 2HG LYS 60 -9.923 3.076 6.531 419 1HD LYS 60 1HD LYS 60 -12.278 2.679 6.711 420 2HD LYS 60 2HD LYS 60 -11.492 2.200 8.217 421 1HE LYS 60 1HE LYS 60 -13.643 3.363 8.580 422 2HE LYS 60 2HE LYS 60 -12.321 4.235 9.346 423 1HZ LYS 60 1HZ LYS 60 -13.511 4.896 6.738 424 2HZ LYS 60 2HZ LYS 60 -13.838 5.642 8.168 425 3HZ LYS 60 3HZ LYS 60 -12.334 5.767 7.501 426 H ASP 61 H ASP 61 -8.570 4.904 5.419 427 HA ASP 61 HA ASP 61 -5.971 3.649 4.913 428 1HB ASP 61 1HB ASP 61 -7.418 1.737 5.571 429 2HB ASP 61 2HB ASP 61 -8.583 2.192 4.314 430 H ASP 62 H ASP 62 -6.032 5.863 4.001 431 HA ASP 62 HA ASP 62 -6.056 7.327 2.350 432 1HB ASP 62 1HB ASP 62 -4.422 5.515 1.631 433 2HB ASP 62 2HB ASP 62 -5.668 4.961 0.499 434 H LYS 63 H LYS 63 -8.749 6.413 2.977 435 HA LYS 63 HA LYS 63 -10.201 6.812 0.429 436 1HB LYS 63 1HB LYS 63 -11.307 6.870 3.253 437 2HB LYS 63 2HB LYS 63 -12.196 6.697 1.750 438 1HG LYS 63 1HG LYS 63 -10.326 4.700 3.102 439 2HG LYS 63 2HG LYS 63 -12.061 4.558 2.870 440 1HD LYS 63 1HD LYS 63 -9.941 4.479 0.664 441 2HD LYS 63 2HD LYS 63 -10.799 3.103 1.346 442 1HE LYS 63 1HE LYS 63 -12.971 4.036 0.540 443 2HE LYS 63 2HE LYS 63 -12.105 5.396 -0.200 444 1HZ LYS 63 1HZ LYS 63 -10.924 3.838 -1.556 445 2HZ LYS 63 2HZ LYS 63 -11.732 2.570 -0.882 446 3HZ LYS 63 3HZ LYS 63 -12.551 3.688 -1.773 447 H CYS 64 H CYS 64 -8.704 8.640 0.102 448 HA CYS 64 HA CYS 64 -8.287 10.820 1.623 449 1HB CYS 64 1HB CYS 64 -8.535 10.768 -1.409 450 2HB CYS 64 2HB CYS 64 -7.869 12.101 -0.478 451 H VAL 65 H VAL 65 -9.768 11.873 2.791 452 HA VAL 65 HA VAL 65 -11.210 13.982 1.484 453 HB VAL 65 HB VAL 65 -13.290 13.661 2.832 454 1HG1 VAL 65 1HG1 VAL 65 -13.205 13.165 0.379 455 2HG1 VAL 65 2HG1 VAL 65 -12.971 11.447 0.782 456 3HG1 VAL 65 3HG1 VAL 65 -14.451 12.279 1.278 457 1HG2 VAL 65 1HG2 VAL 65 -12.358 11.890 4.392 458 2HG2 VAL 65 2HG2 VAL 65 -13.960 11.556 3.692 459 3HG2 VAL 65 3HG2 VAL 65 -12.537 10.740 3.051 460 H SER 66 H SER 66 -12.019 15.482 3.449 461 HA SER 66 HA SER 66 -9.807 15.970 5.096 462 1HB SER 66 1HB SER 66 -12.700 16.764 5.523 463 2HB SER 66 2HB SER 66 -11.278 17.553 6.233 464 HG SER 66 HG SER 66 -10.539 17.963 4.076 465 H ALA 67 H ALA 67 -9.231 15.438 7.136 466 HA ALA 67 HA ALA 67 -9.731 12.989 8.199 467 1HB ALA 67 1HB ALA 67 -7.848 14.397 8.873 468 2HB ALA 67 2HB ALA 67 -8.946 15.502 9.730 469 3HB ALA 67 3HB ALA 67 -8.733 13.827 10.289 470 H GLU 68 H GLU 68 -11.588 15.919 8.903 471 HA GLU 68 HA GLU 68 -13.217 15.326 11.019 472 1HB GLU 68 1HB GLU 68 -14.001 16.442 8.295 473 2HB GLU 68 2HB GLU 68 -15.008 16.537 9.745 474 1HG GLU 68 1HG GLU 68 -13.394 17.913 10.900 475 2HG GLU 68 2HG GLU 68 -12.184 17.708 9.631 476 H ASP 69 H ASP 69 -13.630 14.038 7.685 477 HA ASP 69 HA ASP 69 -16.042 12.573 8.067 478 1HB ASP 69 1HB ASP 69 -15.131 12.881 5.839 479 2HB ASP 69 2HB ASP 69 -13.605 12.109 6.302 480 H CYS 70 H CYS 70 -12.640 11.620 8.382 481 HA CYS 70 HA CYS 70 -13.110 8.867 9.016 482 1HB CYS 70 1HB CYS 70 -11.082 9.625 7.987 483 2HB CYS 70 2HB CYS 70 -10.727 10.723 9.304 484 H GLU 71 H GLU 71 -12.255 11.712 10.986 485 HA GLU 71 HA GLU 71 -12.153 10.664 13.587 486 1HB GLU 71 1HB GLU 71 -13.263 13.299 12.569 487 2HB GLU 71 2HB GLU 71 -12.958 12.941 14.269 488 1HG GLU 71 1HG GLU 71 -10.612 12.849 13.968 489 2HG GLU 71 2HG GLU 71 -10.729 12.674 12.218 490 H LEU 72 H LEU 72 -15.032 12.083 11.928 491 HA LEU 72 HA LEU 72 -16.907 11.305 13.918 492 1HB LEU 72 1HB LEU 72 -17.218 11.815 10.934 493 2HB LEU 72 2HB LEU 72 -18.584 11.602 12.031 494 HG LEU 72 HG LEU 72 -16.487 13.781 12.439 495 1HD1 LEU 72 1HD1 LEU 72 -17.562 14.076 10.241 496 2HD1 LEU 72 2HD1 LEU 72 -19.165 13.947 10.997 497 3HD1 LEU 72 3HD1 LEU 72 -18.099 15.317 11.384 498 1HD2 LEU 72 1HD2 LEU 72 -19.320 13.410 13.511 499 2HD2 LEU 72 2HD2 LEU 72 -17.820 13.275 14.454 500 3HD2 LEU 72 3HD2 LEU 72 -18.294 14.834 13.775 501 H ASP 73 H ASP 73 -15.948 9.682 10.885 502 HA ASP 73 HA ASP 73 -17.779 7.651 10.821 503 1HB ASP 73 1HB ASP 73 -16.164 8.161 9.021 504 2HB ASP 73 2HB ASP 73 -14.860 7.456 9.991 505 H ASN 74 H ASN 74 -14.904 7.731 12.945 506 HA ASN 74 HA ASN 74 -14.902 4.963 13.648 507 1HB ASN 74 1HB ASN 74 -13.138 6.530 14.415 508 2HB ASN 74 2HB ASN 74 -14.316 7.346 15.446 509 1HD2 ASN 74 2HD2 ASN 74 -12.391 4.392 15.008 510 2HD2 ASN 74 1HD2 ASN 74 -12.735 3.720 16.590 511 H MET 75 H MET 75 -16.779 7.708 14.862 512 HA MET 75 HA MET 75 -18.528 8.025 16.176 513 1HB MET 75 1HB MET 75 -19.263 5.165 15.437 514 2HB MET 75 2HB MET 75 -20.331 6.337 16.209 515 1HG MET 75 1HG MET 75 -20.127 7.859 14.309 516 2HG MET 75 2HG MET 75 -19.026 6.754 13.489 517 1HE MET 75 1HE MET 75 -19.665 4.526 12.368 518 2HE MET 75 2HE MET 75 -20.329 3.871 13.886 519 3HE MET 75 3HE MET 75 -21.298 3.821 12.399 520 H ASP 76 H ASP 76 -17.522 4.722 16.885 521 HA ASP 76 HA ASP 76 -18.450 4.307 19.350 522 1HB ASP 76 1HB ASP 76 -17.277 2.745 17.812 523 2HB ASP 76 2HB ASP 76 -15.732 3.419 18.312 524 H PHE 77 H PHE 77 -15.013 5.434 18.977 525 HA PHE 77 HA PHE 77 -15.363 7.473 20.935 526 1HB PHE 77 1HB PHE 77 -14.036 6.659 22.817 527 2HB PHE 77 2HB PHE 77 -15.492 5.739 22.624 528 HD1 PHE 77 HD1 PHE 77 -11.798 5.655 22.386 529 HD2 PHE 77 HD2 PHE 77 -15.444 3.374 22.113 530 HE1 PHE 77 HE1 PHE 77 -10.507 3.552 22.609 531 HE2 PHE 77 HE2 PHE 77 -14.138 1.269 22.220 532 HZ PHE 77 HZ PHE 77 -11.664 1.354 22.477 533 H ILE 78 H ILE 78 -13.789 6.638 18.348 534 HA ILE 78 HA ILE 78 -11.854 7.055 17.329 535 HB ILE 78 HB ILE 78 -11.593 9.412 19.211 536 1HG1 ILE 78 1HG1 ILE 78 -13.024 9.087 16.529 537 2HG1 ILE 78 2HG1 ILE 78 -13.812 9.328 18.095 538 1HG2 ILE 78 1HG2 ILE 78 -9.536 8.824 17.892 539 2HG2 ILE 78 2HG2 ILE 78 -10.512 8.856 16.413 540 3HG2 ILE 78 3HG2 ILE 78 -10.236 10.336 17.343 541 1HD1 ILE 78 1HD1 ILE 78 -12.686 11.548 18.293 542 2HD1 ILE 78 2HD1 ILE 78 -12.091 11.346 16.622 543 3HD1 ILE 78 3HD1 ILE 78 -13.827 11.409 16.942 544 H TYR 79 H TYR 79 -10.870 5.169 17.788 545 HA TYR 79 HA TYR 79 -9.737 4.460 20.244 546 1HB TYR 79 1HB TYR 79 -8.940 3.471 17.478 547 2HB TYR 79 2HB TYR 79 -8.718 2.595 18.988 548 HD1 TYR 79 HD1 TYR 79 -11.835 3.676 19.727 549 HD2 TYR 79 HD2 TYR 79 -9.869 1.250 16.739 550 HE1 TYR 79 HE1 TYR 79 -13.886 2.426 19.411 551 HE2 TYR 79 HE2 TYR 79 -11.998 0.008 16.388 552 HH TYR 79 HH TYR 79 -14.905 0.615 18.381 553 HA PRO 80 HA PRO 80 -5.559 6.200 19.887 554 1HB PRO 80 1HB PRO 80 -4.164 4.589 21.590 555 2HB PRO 80 2HB PRO 80 -5.336 5.795 22.178 556 1HG PRO 80 1HG PRO 80 -5.794 2.830 21.763 557 2HG PRO 80 2HG PRO 80 -6.231 3.818 23.185 558 1HD PRO 80 1HD PRO 80 -8.018 3.196 21.207 559 2HD PRO 80 2HD PRO 80 -8.080 4.766 22.060 560 H GLY 81 H GLY 81 -5.480 5.630 17.691 561 1HA GLY 81 1HA GLY 81 -5.325 3.110 16.549 562 2HA GLY 81 2HA GLY 81 -4.750 4.612 15.816 563 H THR 82 H THR 82 -3.828 1.993 17.970 564 HA THR 82 HA THR 82 -1.938 0.780 18.258 565 HB THR 82 HB THR 82 -0.337 0.539 16.388 566 HG1 THR 82 HG1 THR 82 -1.079 2.865 15.646 567 1HG2 THR 82 1HG2 THR 82 -2.438 -0.806 16.498 568 2HG2 THR 82 2HG2 THR 82 -3.291 0.446 15.571 569 3HG2 THR 82 3HG2 THR 82 -1.965 -0.462 14.823 570 H ARG 83 H ARG 83 -1.517 2.038 20.045 571 HA ARG 83 HA ARG 83 -0.214 3.204 21.477 572 1HB ARG 83 1HB ARG 83 1.558 4.180 19.205 573 2HB ARG 83 2HB ARG 83 1.837 4.294 20.936 574 1HG ARG 83 1HG ARG 83 1.989 1.818 21.086 575 2HG ARG 83 2HG ARG 83 1.751 1.701 19.333 576 1HD ARG 83 1HD ARG 83 4.087 3.090 20.731 577 2HD ARG 83 2HD ARG 83 4.123 1.544 19.903 578 HE ARG 83 HE ARG 83 3.951 2.538 17.811 579 1HH1 ARG 83 1HH1 ARG 83 3.913 5.054 20.318 580 2HH1 ARG 83 2HH1 ARG 83 4.184 6.355 19.189 581 1HH2 ARG 83 1HH2 ARG 83 4.296 4.242 16.357 582 2HH2 ARG 83 2HH2 ARG 83 4.412 5.889 16.925 583 H ASN 84 H ASN 84 -0.247 4.946 18.404 584 HA ASN 84 HA ASN 84 -2.413 6.501 18.393 585 1HB ASN 84 1HB ASN 84 -0.261 7.859 20.071 586 2HB ASN 84 2HB ASN 84 -1.340 8.807 19.045 587 1HD2 ASN 84 2HD2 ASN 84 -1.217 9.201 21.818 588 2HD2 ASN 84 1HD2 ASN 84 -2.701 8.598 22.575 589 HA PRO 85 HA PRO 85 0.260 7.156 14.800 590 1HB PRO 85 1HB PRO 85 -1.469 8.256 13.044 591 2HB PRO 85 2HB PRO 85 -1.770 6.633 13.714 592 1HG PRO 85 1HG PRO 85 -2.923 9.252 14.733 593 2HG PRO 85 2HG PRO 85 -3.823 7.781 14.258 594 1HD PRO 85 1HD PRO 85 -3.088 8.280 16.860 595 2HD PRO 85 2HD PRO 85 -3.123 6.622 16.185 Start of MODEL 13 1 1H LYS 1 1H LYS 1 4.946 4.520 -4.017 2 2H LYS 1 2H LYS 1 3.722 4.361 -2.926 3 3H LYS 1 3H LYS 1 5.174 3.644 -2.643 4 HA LYS 1 HA LYS 1 4.880 2.213 -4.555 5 1HB LYS 1 1HB LYS 1 2.627 2.068 -2.509 6 2HB LYS 1 2HB LYS 1 3.105 0.780 -3.635 7 1HG LYS 1 1HG LYS 1 5.440 0.909 -2.672 8 2HG LYS 1 2HG LYS 1 4.803 1.990 -1.407 9 1HD LYS 1 1HD LYS 1 3.182 0.145 -0.801 10 2HD LYS 1 2HD LYS 1 4.013 -0.905 -1.961 11 1HE LYS 1 1HE LYS 1 5.249 0.431 0.502 12 2HE LYS 1 2HE LYS 1 4.889 -1.292 0.304 13 1HZ LYS 1 1HZ LYS 1 6.495 -1.312 -1.502 14 2HZ LYS 1 2HZ LYS 1 6.867 0.269 -1.213 15 3HZ LYS 1 3HZ LYS 1 7.175 -0.869 -0.069 16 H ALA 2 H ALA 2 1.994 4.226 -3.914 17 HA ALA 2 HA ALA 2 0.860 3.697 -6.578 18 1HB ALA 2 1HB ALA 2 -0.589 4.147 -4.631 19 2HB ALA 2 2HB ALA 2 0.173 5.735 -4.407 20 3HB ALA 2 3HB ALA 2 -0.790 5.413 -5.853 21 H THR 3 H THR 3 3.345 4.292 -7.090 22 HA THR 3 HA THR 3 4.841 6.386 -6.906 23 HB THR 3 HB THR 3 5.524 6.195 -9.310 24 HG1 THR 3 HG1 THR 3 3.341 4.364 -9.361 25 1HG2 THR 3 1HG2 THR 3 6.397 4.650 -7.560 26 2HG2 THR 3 2HG2 THR 3 5.083 3.512 -7.919 27 3HG2 THR 3 3HG2 THR 3 6.282 3.896 -9.160 28 H MET 4 H MET 4 2.776 6.621 -9.743 29 HA MET 4 HA MET 4 2.085 9.471 -9.092 30 1HB MET 4 1HB MET 4 2.708 8.273 -11.828 31 2HB MET 4 2HB MET 4 2.120 9.915 -11.517 32 1HG MET 4 1HG MET 4 4.151 10.428 -10.231 33 2HG MET 4 2HG MET 4 4.750 8.785 -10.488 34 1HE MET 4 1HE MET 4 3.983 12.247 -12.126 35 2HE MET 4 2HE MET 4 4.491 11.976 -13.810 36 3HE MET 4 3HE MET 4 3.023 11.191 -13.195 37 H GLN 5 H GLN 5 0.708 6.876 -8.467 38 HA GLN 5 HA GLN 5 -1.503 6.759 -10.463 39 1HB GLN 5 1HB GLN 5 -0.831 5.032 -8.060 40 2HB GLN 5 2HB GLN 5 -2.334 4.916 -8.982 41 1HG GLN 5 1HG GLN 5 -0.883 3.248 -9.821 42 2HG GLN 5 2HG GLN 5 -1.019 4.490 -11.067 43 1HE2 GLN 5 2HE2 GLN 5 0.952 5.454 -11.807 44 2HE2 GLN 5 1HE2 GLN 5 2.507 5.059 -11.071 45 H CYS 6 H CYS 6 -1.715 9.098 -9.835 46 HA CYS 6 HA CYS 6 -3.022 9.755 -7.328 47 1HB CYS 6 1HB CYS 6 -2.877 11.323 -9.927 48 2HB CYS 6 2HB CYS 6 -3.320 11.952 -8.335 49 H GLY 7 H GLY 7 -4.522 7.785 -7.793 50 1HA GLY 7 1HA GLY 7 -6.626 7.990 -9.737 51 2HA GLY 7 2HA GLY 7 -6.608 6.949 -8.306 52 H GLU 8 H GLU 8 -6.247 9.207 -6.435 53 HA GLU 8 HA GLU 8 -9.001 10.384 -6.503 54 1HB GLU 8 1HB GLU 8 -7.461 9.672 -3.980 55 2HB GLU 8 2HB GLU 8 -9.163 10.098 -4.165 56 1HG GLU 8 1HG GLU 8 -9.297 7.836 -3.843 57 2HG GLU 8 2HG GLU 8 -9.368 7.948 -5.607 58 H ASN 9 H ASN 9 -8.762 12.043 -4.419 59 HA ASN 9 HA ASN 9 -7.291 14.351 -5.284 60 1HB ASN 9 1HB ASN 9 -8.035 15.220 -3.019 61 2HB ASN 9 2HB ASN 9 -9.296 14.796 -4.182 62 1HD2 ASN 9 2HD2 ASN 9 -9.570 15.083 -1.250 63 2HD2 ASN 9 1HD2 ASN 9 -10.184 13.523 -0.729 64 H GLU 10 H GLU 10 -5.286 13.174 -5.516 65 HA GLU 10 HA GLU 10 -3.637 13.113 -3.045 66 1HB GLU 10 1HB GLU 10 -3.622 11.374 -5.549 67 2HB GLU 10 2HB GLU 10 -2.422 11.241 -4.259 68 1HG GLU 10 1HG GLU 10 -4.033 10.473 -2.669 69 2HG GLU 10 2HG GLU 10 -5.390 10.832 -3.740 70 H LYS 11 H LYS 11 -1.251 13.369 -3.541 71 HA LYS 11 HA LYS 11 -0.572 14.992 -5.916 72 1HB LYS 11 1HB LYS 11 0.642 16.599 -4.511 73 2HB LYS 11 2HB LYS 11 -1.093 16.647 -4.186 74 1HG LYS 11 1HG LYS 11 -0.772 15.332 -2.116 75 2HG LYS 11 2HG LYS 11 0.950 15.148 -2.474 76 1HD LYS 11 1HD LYS 11 1.321 17.559 -2.315 77 2HD LYS 11 2HD LYS 11 -0.402 17.835 -2.039 78 1HE LYS 11 1HE LYS 11 0.823 17.910 0.080 79 2HE LYS 11 2HE LYS 11 -0.292 16.529 0.075 80 1HZ LYS 11 1HZ LYS 11 2.596 16.424 -0.462 81 2HZ LYS 11 2HZ LYS 11 1.849 15.960 0.933 82 3HZ LYS 11 3HZ LYS 11 1.571 15.133 -0.461 83 H TYR 12 H TYR 12 1.676 14.805 -6.469 84 HA TYR 12 HA TYR 12 2.901 12.317 -5.771 85 1HB TYR 12 1HB TYR 12 3.198 13.523 -7.913 86 2HB TYR 12 2HB TYR 12 4.133 14.760 -7.072 87 HD1 TYR 12 HD1 TYR 12 3.997 11.117 -7.893 88 HD2 TYR 12 HD2 TYR 12 6.479 14.371 -6.548 89 HE1 TYR 12 HE1 TYR 12 6.017 9.754 -8.332 90 HE2 TYR 12 HE2 TYR 12 8.501 12.993 -6.953 91 HH TYR 12 HH TYR 12 8.321 9.828 -8.575 92 H ASP 13 H ASP 13 4.347 11.780 -4.127 93 HA ASP 13 HA ASP 13 6.102 13.836 -3.059 94 1HB ASP 13 1HB ASP 13 4.117 14.093 -1.590 95 2HB ASP 13 2HB ASP 13 4.167 12.355 -1.245 96 H SER 14 H SER 14 7.815 12.905 -1.791 97 HA SER 14 HA SER 14 8.532 10.176 -2.759 98 1HB SER 14 1HB SER 14 10.269 12.303 -1.475 99 2HB SER 14 2HB SER 14 10.798 10.806 -2.252 100 HG SER 14 HG SER 14 9.388 12.948 -3.508 101 H CYS 15 H CYS 15 6.637 9.669 -0.924 102 HA CYS 15 HA CYS 15 8.240 8.725 1.303 103 1HB CYS 15 1HB CYS 15 7.068 11.228 1.674 104 2HB CYS 15 2HB CYS 15 6.068 10.136 2.612 105 H GLY 16 H GLY 16 7.296 7.050 -0.319 106 1HA GLY 16 1HA GLY 16 6.441 4.944 -0.278 107 2HA GLY 16 2HA GLY 16 6.379 5.112 1.469 108 H SER 17 H SER 17 4.448 3.769 1.399 109 HA SER 17 HA SER 17 2.155 4.339 -0.041 110 1HB SER 17 1HB SER 17 2.305 2.938 2.662 111 2HB SER 17 2HB SER 17 1.212 2.594 1.307 112 HG SER 17 HG SER 17 3.025 1.150 1.440 113 H LYS 18 H LYS 18 2.358 6.852 0.607 114 HA LYS 18 HA LYS 18 1.694 8.702 1.712 115 1HB LYS 18 1HB LYS 18 -0.609 7.113 2.853 116 2HB LYS 18 2HB LYS 18 -0.549 8.835 2.467 117 1HG LYS 18 1HG LYS 18 -0.190 8.000 0.004 118 2HG LYS 18 2HG LYS 18 -0.778 6.451 0.591 119 1HD LYS 18 1HD LYS 18 -2.910 7.381 1.251 120 2HD LYS 18 2HD LYS 18 -2.335 9.037 1.046 121 1HE LYS 18 1HE LYS 18 -3.858 8.215 -0.779 122 2HE LYS 18 2HE LYS 18 -2.317 8.857 -1.345 123 1HZ LYS 18 1HZ LYS 18 -2.934 6.013 -1.018 124 2HZ LYS 18 2HZ LYS 18 -2.904 6.867 -2.439 125 3HZ LYS 18 3HZ LYS 18 -1.512 6.646 -1.584 126 H GLU 19 H GLU 19 3.773 7.471 2.982 127 HA GLU 19 HA GLU 19 3.123 6.338 5.479 128 1HB GLU 19 1HB GLU 19 5.759 7.499 4.575 129 2HB GLU 19 2HB GLU 19 5.495 6.509 6.023 130 1HG GLU 19 1HG GLU 19 4.417 4.748 4.491 131 2HG GLU 19 2HG GLU 19 5.013 5.695 3.139 132 H CYS 20 H CYS 20 2.257 7.194 7.090 133 HA CYS 20 HA CYS 20 1.255 8.585 8.454 134 1HB CYS 20 1HB CYS 20 3.826 10.045 9.012 135 2HB CYS 20 2HB CYS 20 2.598 9.404 10.113 136 H ASP 21 H ASP 21 1.289 9.432 5.672 137 HA ASP 21 HA ASP 21 1.366 12.385 5.727 138 1HB ASP 21 1HB ASP 21 2.260 11.345 3.744 139 2HB ASP 21 2HB ASP 21 0.806 10.349 3.555 140 H LYS 22 H LYS 22 -0.318 13.232 6.733 141 HA LYS 22 HA LYS 22 -2.400 13.609 7.556 142 1HB LYS 22 1HB LYS 22 -3.362 12.891 4.774 143 2HB LYS 22 2HB LYS 22 -4.013 14.092 5.887 144 1HG LYS 22 1HG LYS 22 -1.396 14.241 4.322 145 2HG LYS 22 2HG LYS 22 -2.882 15.089 3.960 146 1HD LYS 22 1HD LYS 22 -1.079 15.529 6.384 147 2HD LYS 22 2HD LYS 22 -1.299 16.607 5.005 148 1HE LYS 22 1HE LYS 22 -3.355 15.908 7.134 149 2HE LYS 22 2HE LYS 22 -2.561 17.467 6.898 150 1HZ LYS 22 1HZ LYS 22 -3.664 17.619 4.770 151 2HZ LYS 22 2HZ LYS 22 -4.447 16.186 5.034 152 3HZ LYS 22 3HZ LYS 22 -4.748 17.481 6.004 153 H LYS 23 H LYS 23 -1.690 10.967 8.276 154 HA LYS 23 HA LYS 23 -3.859 9.196 7.573 155 1HB LYS 23 1HB LYS 23 -2.983 7.632 8.986 156 2HB LYS 23 2HB LYS 23 -1.577 8.462 8.332 157 1HG LYS 23 1HG LYS 23 -2.781 8.768 11.123 158 2HG LYS 23 2HG LYS 23 -1.315 7.894 10.666 159 1HD LYS 23 1HD LYS 23 -0.199 9.999 10.021 160 2HD LYS 23 2HD LYS 23 -1.665 10.914 10.429 161 1HE LYS 23 1HE LYS 23 -0.055 11.037 12.256 162 2HE LYS 23 2HE LYS 23 -1.539 10.212 12.764 163 1HZ LYS 23 1HZ LYS 23 0.947 8.873 11.959 164 2HZ LYS 23 2HZ LYS 23 0.469 9.124 13.515 165 3HZ LYS 23 3HZ LYS 23 -0.403 8.125 12.540 166 H CYS 24 H CYS 24 -5.924 8.975 8.532 167 HA CYS 24 HA CYS 24 -6.850 11.038 10.298 168 1HB CYS 24 1HB CYS 24 -8.337 9.785 8.833 169 2HB CYS 24 2HB CYS 24 -7.958 8.268 9.691 170 H LYS 25 H LYS 25 -7.369 10.879 12.567 171 HA LYS 25 HA LYS 25 -6.239 8.540 13.996 172 1HB LYS 25 1HB LYS 25 -4.809 10.692 14.266 173 2HB LYS 25 2HB LYS 25 -6.214 11.327 15.150 174 1HG LYS 25 1HG LYS 25 -4.524 10.448 16.666 175 2HG LYS 25 2HG LYS 25 -6.065 9.617 16.834 176 1HD LYS 25 1HD LYS 25 -4.093 8.125 16.982 177 2HD LYS 25 2HD LYS 25 -5.210 7.627 15.717 178 1HE LYS 25 1HE LYS 25 -3.759 8.560 13.979 179 2HE LYS 25 2HE LYS 25 -2.716 9.326 15.195 180 1HZ LYS 25 1HZ LYS 25 -3.122 6.437 14.949 181 2HZ LYS 25 2HZ LYS 25 -1.849 7.245 14.294 182 3HZ LYS 25 3HZ LYS 25 -2.047 7.201 15.933 183 H TYR 26 H TYR 26 -7.675 7.556 15.130 184 HA TYR 26 HA TYR 26 -9.512 8.911 16.815 185 1HB TYR 26 1HB TYR 26 -11.453 7.418 15.988 186 2HB TYR 26 2HB TYR 26 -11.117 8.939 15.181 187 HD1 TYR 26 HD1 TYR 26 -9.633 5.463 14.722 188 HD2 TYR 26 HD2 TYR 26 -11.964 8.679 13.037 189 HE1 TYR 26 HE1 TYR 26 -9.761 4.253 12.596 190 HE2 TYR 26 HE2 TYR 26 -12.152 7.429 10.930 191 HH TYR 26 HH TYR 26 -10.952 5.681 9.681 192 H ASP 27 H ASP 27 -10.347 7.346 18.257 193 HA ASP 27 HA ASP 27 -8.654 5.440 19.372 194 1HB ASP 27 1HB ASP 27 -10.742 4.282 20.259 195 2HB ASP 27 2HB ASP 27 -10.507 5.989 20.623 196 H GLY 28 H GLY 28 -11.128 4.749 16.932 197 1HA GLY 28 1HA GLY 28 -11.009 3.362 15.076 198 2HA GLY 28 2HA GLY 28 -9.319 3.008 15.473 199 H VAL 29 H VAL 29 -11.899 2.470 17.819 200 HA VAL 29 HA VAL 29 -11.535 -0.450 17.667 201 HB VAL 29 HB VAL 29 -11.653 0.661 19.820 202 1HG1 VAL 29 1HG1 VAL 29 -13.240 2.510 19.342 203 2HG1 VAL 29 2HG1 VAL 29 -14.568 1.334 19.263 204 3HG1 VAL 29 3HG1 VAL 29 -13.680 1.569 20.771 205 1HG2 VAL 29 1HG2 VAL 29 -12.334 -1.696 19.591 206 2HG2 VAL 29 2HG2 VAL 29 -13.150 -0.869 20.928 207 3HG2 VAL 29 3HG2 VAL 29 -14.029 -1.196 19.427 208 H GLU 30 H GLU 30 -12.122 0.080 15.276 209 HA GLU 30 HA GLU 30 -14.714 -1.020 14.733 210 1HB GLU 30 1HB GLU 30 -15.458 0.943 13.328 211 2HB GLU 30 2HB GLU 30 -15.555 1.210 15.072 212 1HG GLU 30 1HG GLU 30 -13.587 2.605 15.069 213 2HG GLU 30 2HG GLU 30 -13.205 2.185 13.391 214 H GLU 31 H GLU 31 -14.697 -1.880 12.694 215 HA GLU 31 HA GLU 31 -13.744 -2.896 10.898 216 1HB GLU 31 1HB GLU 31 -12.825 -0.087 10.189 217 2HB GLU 31 2HB GLU 31 -13.264 -1.401 9.089 218 1HG GLU 31 1HG GLU 31 -15.122 0.223 10.884 219 2HG GLU 31 2HG GLU 31 -15.092 0.169 9.123 220 H GLU 32 H GLU 32 -12.068 -3.085 13.122 221 HA GLU 32 HA GLU 32 -9.406 -2.359 12.763 222 1HB GLU 32 1HB GLU 32 -10.513 -4.861 14.137 223 2HB GLU 32 2HB GLU 32 -8.880 -4.207 14.289 224 1HG GLU 32 1HG GLU 32 -9.774 -3.256 16.143 225 2HG GLU 32 2HG GLU 32 -10.129 -1.964 14.999 226 H ASP 33 H ASP 33 -11.189 -4.954 11.250 227 HA ASP 33 HA ASP 33 -9.290 -6.601 10.109 228 1HB ASP 33 1HB ASP 33 -11.728 -5.403 8.720 229 2HB ASP 33 2HB ASP 33 -10.894 -6.898 8.279 230 H ASP 34 H ASP 34 -9.957 -3.201 9.269 231 HA ASP 34 HA ASP 34 -8.614 -3.196 6.741 232 1HB ASP 34 1HB ASP 34 -10.250 -1.483 7.541 233 2HB ASP 34 2HB ASP 34 -9.051 -0.913 8.711 234 H GLU 35 H GLU 35 -7.463 -3.092 10.047 235 HA GLU 35 HA GLU 35 -5.504 -3.009 11.052 236 1HB GLU 35 1HB GLU 35 -4.364 -3.857 8.357 237 2HB GLU 35 2HB GLU 35 -3.504 -3.868 9.905 238 1HG GLU 35 1HG GLU 35 -5.210 -5.425 10.841 239 2HG GLU 35 2HG GLU 35 -6.029 -5.455 9.274 240 H GLU 36 H GLU 36 -4.693 -1.641 7.867 241 HA GLU 36 HA GLU 36 -3.361 0.126 7.283 242 1HB GLU 36 1HB GLU 36 -5.729 0.875 7.693 243 2HB GLU 36 2HB GLU 36 -5.161 1.598 9.203 244 1HG GLU 36 1HG GLU 36 -3.461 2.896 7.793 245 2HG GLU 36 2HG GLU 36 -4.238 2.228 6.348 246 HA PRO 37 HA PRO 37 -0.606 0.142 11.110 247 1HB PRO 37 1HB PRO 37 1.726 -0.563 9.800 248 2HB PRO 37 2HB PRO 37 0.545 -1.719 10.467 249 1HG PRO 37 1HG PRO 37 0.745 -0.711 7.618 250 2HG PRO 37 2HG PRO 37 0.630 -2.408 8.174 251 1HD PRO 37 1HD PRO 37 -1.551 -1.098 7.335 252 2HD PRO 37 2HD PRO 37 -1.665 -2.127 8.789 253 H ASN 38 H ASN 38 -0.906 1.886 8.181 254 HA ASN 38 HA ASN 38 1.124 3.845 8.578 255 1HB ASN 38 1HB ASN 38 -0.316 3.378 6.480 256 2HB ASN 38 2HB ASN 38 -1.618 4.263 7.298 257 1HD2 ASN 38 2HD2 ASN 38 -1.563 5.935 5.618 258 2HD2 ASN 38 1HD2 ASN 38 -0.169 7.001 5.482 259 H VAL 39 H VAL 39 -2.115 3.356 9.988 260 HA VAL 39 HA VAL 39 -2.531 5.959 11.002 261 HB VAL 39 HB VAL 39 -3.554 3.263 11.924 262 1HG1 VAL 39 1HG1 VAL 39 -4.293 6.042 12.948 263 2HG1 VAL 39 2HG1 VAL 39 -5.233 4.565 13.235 264 3HG1 VAL 39 3HG1 VAL 39 -3.608 4.707 13.911 265 1HG2 VAL 39 1HG2 VAL 39 -4.265 4.135 9.727 266 2HG2 VAL 39 2HG2 VAL 39 -5.605 4.046 10.881 267 3HG2 VAL 39 3HG2 VAL 39 -4.861 5.615 10.502 268 HA PRO 40 HA PRO 40 0.069 5.010 14.851 269 1HB PRO 40 1HB PRO 40 1.207 2.599 15.367 270 2HB PRO 40 2HB PRO 40 -0.523 2.905 15.664 271 1HG PRO 40 1HG PRO 40 0.702 1.664 13.175 272 2HG PRO 40 2HG PRO 40 -0.573 0.963 14.217 273 1HD PRO 40 1HD PRO 40 -1.247 2.352 12.006 274 2HD PRO 40 2HD PRO 40 -2.155 2.575 13.524 275 H CYS 41 H CYS 41 0.885 5.424 11.891 276 HA CYS 41 HA CYS 41 2.700 5.707 10.643 277 1HB CYS 41 1HB CYS 41 2.554 7.587 12.221 278 2HB CYS 41 2HB CYS 41 3.674 6.782 13.323 279 H LEU 42 H LEU 42 2.797 3.062 11.058 280 HA LEU 42 HA LEU 42 5.397 2.285 12.144 281 1HB LEU 42 1HB LEU 42 3.305 0.981 12.298 282 2HB LEU 42 2HB LEU 42 3.368 0.680 10.561 283 HG LEU 42 HG LEU 42 5.685 -0.098 12.373 284 1HD1 LEU 42 1HD1 LEU 42 3.174 -1.732 11.813 285 2HD1 LEU 42 2HD1 LEU 42 4.634 -2.321 12.638 286 3HD1 LEU 42 3HD1 LEU 42 3.653 -1.050 13.382 287 1HD2 LEU 42 1HD2 LEU 42 4.612 -1.217 9.731 288 2HD2 LEU 42 2HD2 LEU 42 6.141 -0.341 9.951 289 3HD2 LEU 42 3HD2 LEU 42 5.935 -1.932 10.671 290 H VAL 43 H VAL 43 3.919 2.342 8.883 291 HA VAL 43 HA VAL 43 6.081 1.135 7.567 292 HB VAL 43 HB VAL 43 5.000 2.088 5.468 293 1HG1 VAL 43 1HG1 VAL 43 4.502 -0.148 6.346 294 2HG1 VAL 43 2HG1 VAL 43 3.275 0.528 7.437 295 3HG1 VAL 43 3HG1 VAL 43 3.044 0.606 5.678 296 1HG2 VAL 43 1HG2 VAL 43 3.910 4.101 6.650 297 2HG2 VAL 43 2HG2 VAL 43 2.849 3.138 5.604 298 3HG2 VAL 43 3HG2 VAL 43 2.771 2.944 7.356 299 H ARG 44 H ARG 44 8.008 1.764 6.873 300 HA ARG 44 HA ARG 44 8.727 4.655 6.997 301 1HB ARG 44 1HB ARG 44 9.446 2.789 8.813 302 2HB ARG 44 2HB ARG 44 10.655 2.420 7.588 303 1HG ARG 44 1HG ARG 44 11.848 3.954 8.787 304 2HG ARG 44 2HG ARG 44 11.032 5.109 7.730 305 1HD ARG 44 1HD ARG 44 10.247 4.260 10.550 306 2HD ARG 44 2HD ARG 44 10.867 5.849 10.064 307 HE ARG 44 HE ARG 44 8.717 5.812 8.542 308 1HH1 ARG 44 1HH1 ARG 44 8.880 5.014 12.026 309 2HH1 ARG 44 2HH1 ARG 44 7.122 4.995 12.149 310 1HH2 ARG 44 1HH2 ARG 44 6.452 5.463 8.808 311 2HH2 ARG 44 2HH2 ARG 44 5.845 5.541 10.469 312 H VAL 45 H VAL 45 8.254 2.493 4.632 313 HA VAL 45 HA VAL 45 10.852 2.755 3.240 314 HB VAL 45 HB VAL 45 9.726 1.474 1.442 315 1HG1 VAL 45 1HG1 VAL 45 11.139 0.410 3.152 316 2HG1 VAL 45 2HG1 VAL 45 9.723 0.184 4.201 317 3HG1 VAL 45 3HG1 VAL 45 9.823 -0.660 2.644 318 1HG2 VAL 45 1HG2 VAL 45 7.317 1.980 1.947 319 2HG2 VAL 45 2HG2 VAL 45 7.672 0.253 1.873 320 3HG2 VAL 45 3HG2 VAL 45 7.460 1.031 3.443 321 H CYS 46 H CYS 46 10.471 5.155 3.645 322 HA CYS 46 HA CYS 46 8.461 6.476 2.150 323 1HB CYS 46 1HB CYS 46 10.668 7.326 3.884 324 2HB CYS 46 2HB CYS 46 10.292 8.482 2.618 325 H HIS 47 H HIS 47 8.693 5.497 0.033 326 HA HIS 47 HA HIS 47 10.499 7.161 -1.690 327 1HB HIS 47 1HB HIS 47 10.769 5.315 -3.188 328 2HB HIS 47 2HB HIS 47 11.221 4.777 -1.570 329 HD1 HIS 47 HD1 HIS 47 8.045 4.625 -3.847 330 HD2 HIS 47 HD2 HIS 47 10.041 2.559 -0.761 331 HE1 HIS 47 HE1 HIS 47 6.795 2.474 -3.494 332 H GLN 48 H GLN 48 9.718 7.741 -3.612 333 HA GLN 48 HA GLN 48 7.713 9.011 -4.411 334 1HB GLN 48 1HB GLN 48 8.253 6.719 -6.288 335 2HB GLN 48 2HB GLN 48 7.873 8.402 -6.642 336 1HG GLN 48 1HG GLN 48 10.454 7.150 -5.715 337 2HG GLN 48 2HG GLN 48 10.189 8.186 -7.119 338 1HE2 GLN 48 2HE2 GLN 48 9.567 10.591 -6.531 339 2HE2 GLN 48 1HE2 GLN 48 10.248 11.224 -5.024 340 H ASP 49 H ASP 49 5.579 9.156 -4.105 341 HA ASP 49 HA ASP 49 3.746 7.021 -4.921 342 1HB ASP 49 1HB ASP 49 4.483 6.472 -2.574 343 2HB ASP 49 2HB ASP 49 3.928 8.068 -2.069 344 H CYS 50 H CYS 50 1.589 7.961 -5.274 345 HA CYS 50 HA CYS 50 1.464 10.899 -5.020 346 1HB CYS 50 1HB CYS 50 0.744 9.760 -7.071 347 2HB CYS 50 2HB CYS 50 -0.672 9.131 -6.206 348 H VAL 51 H VAL 51 1.228 11.487 -2.942 349 HA VAL 51 HA VAL 51 -0.276 9.786 -1.088 350 HB VAL 51 HB VAL 51 0.815 10.905 0.675 351 1HG1 VAL 51 1HG1 VAL 51 2.158 9.238 -0.512 352 2HG1 VAL 51 2HG1 VAL 51 2.856 10.501 -1.536 353 3HG1 VAL 51 3HG1 VAL 51 3.159 10.503 0.211 354 1HG2 VAL 51 1HG2 VAL 51 1.833 12.931 -1.358 355 2HG2 VAL 51 2HG2 VAL 51 0.664 13.240 -0.059 356 3HG2 VAL 51 3HG2 VAL 51 2.335 12.836 0.345 357 H CYS 52 H CYS 52 -1.361 11.395 0.827 358 HA CYS 52 HA CYS 52 -3.791 12.101 -0.593 359 1HB CYS 52 1HB CYS 52 -3.545 10.963 1.703 360 2HB CYS 52 2HB CYS 52 -3.158 12.567 2.338 361 H GLU 53 H GLU 53 -4.629 14.170 -1.077 362 HA GLU 53 HA GLU 53 -2.717 16.257 -1.178 363 1HB GLU 53 1HB GLU 53 -5.520 15.943 -1.990 364 2HB GLU 53 2HB GLU 53 -5.174 17.581 -1.437 365 1HG GLU 53 1HG GLU 53 -3.458 16.133 -3.481 366 2HG GLU 53 2HG GLU 53 -4.855 17.124 -3.907 367 H GLU 54 H GLU 54 -2.604 18.266 -0.229 368 HA GLU 54 HA GLU 54 -2.569 18.068 2.643 369 1HB GLU 54 1HB GLU 54 -0.807 19.118 1.222 370 2HB GLU 54 2HB GLU 54 -1.909 20.459 0.873 371 1HG GLU 54 1HG GLU 54 -1.996 20.999 3.299 372 2HG GLU 54 2HG GLU 54 -0.951 19.611 3.653 373 H GLY 55 H GLY 55 -4.820 17.787 2.970 374 1HA GLY 55 1HA GLY 55 -6.287 19.910 4.074 375 2HA GLY 55 2HA GLY 55 -6.778 19.811 2.369 376 H PHE 56 H PHE 56 -6.194 16.835 2.301 377 HA PHE 56 HA PHE 56 -8.683 15.902 3.631 378 1HB PHE 56 1HB PHE 56 -7.056 14.667 1.428 379 2HB PHE 56 2HB PHE 56 -8.644 14.169 2.013 380 HD1 PHE 56 HD1 PHE 56 -10.600 15.935 1.787 381 HD2 PHE 56 HD2 PHE 56 -6.832 16.309 -0.230 382 HE1 PHE 56 HE1 PHE 56 -11.680 17.329 0.053 383 HE2 PHE 56 HE2 PHE 56 -7.898 17.744 -1.967 384 HZ PHE 56 HZ PHE 56 -10.333 18.241 -1.830 385 H TYR 57 H TYR 57 -8.529 13.669 4.564 386 HA TYR 57 HA TYR 57 -5.827 12.851 5.407 387 1HB TYR 57 1HB TYR 57 -8.353 13.169 7.096 388 2HB TYR 57 2HB TYR 57 -7.015 12.138 7.572 389 HD1 TYR 57 HD1 TYR 57 -7.806 15.699 6.678 390 HD2 TYR 57 HD2 TYR 57 -5.146 12.985 8.693 391 HE1 TYR 57 HE1 TYR 57 -6.693 17.616 7.761 392 HE2 TYR 57 HE2 TYR 57 -4.117 14.895 9.902 393 HH TYR 57 HH TYR 57 -4.107 17.191 10.202 394 H ARG 58 H ARG 58 -5.622 10.632 5.732 395 HA ARG 58 HA ARG 58 -7.293 8.909 4.086 396 1HB ARG 58 1HB ARG 58 -5.322 8.089 6.267 397 2HB ARG 58 2HB ARG 58 -5.974 7.129 4.936 398 1HG ARG 58 1HG ARG 58 -4.643 8.466 3.350 399 2HG ARG 58 2HG ARG 58 -4.125 9.562 4.657 400 1HD ARG 58 1HD ARG 58 -2.454 7.726 4.033 401 2HD ARG 58 2HD ARG 58 -2.838 7.925 5.733 402 HE ARG 58 HE ARG 58 -4.232 5.993 5.744 403 1HH1 ARG 58 1HH1 ARG 58 -2.136 6.026 2.911 404 2HH1 ARG 58 2HH1 ARG 58 -2.932 4.687 2.142 405 1HH2 ARG 58 1HH2 ARG 58 -5.342 4.314 4.730 406 2HH2 ARG 58 2HH2 ARG 58 -4.700 3.626 3.244 407 H ASN 59 H ASN 59 -9.471 9.234 5.014 408 HA ASN 59 HA ASN 59 -10.162 8.946 7.726 409 1HB ASN 59 1HB ASN 59 -11.840 9.582 6.198 410 2HB ASN 59 2HB ASN 59 -11.655 8.104 5.240 411 1HD2 ASN 59 2HD2 ASN 59 -13.622 7.018 5.489 412 2HD2 ASN 59 1HD2 ASN 59 -14.277 6.630 7.080 413 H LYS 60 H LYS 60 -9.585 6.393 5.317 414 HA LYS 60 HA LYS 60 -8.395 4.776 7.274 415 1HB LYS 60 1HB LYS 60 -9.995 2.716 6.854 416 2HB LYS 60 2HB LYS 60 -10.233 3.864 8.155 417 1HG LYS 60 1HG LYS 60 -12.018 4.999 7.029 418 2HG LYS 60 2HG LYS 60 -11.674 4.190 5.503 419 1HD LYS 60 1HD LYS 60 -13.532 3.062 6.242 420 2HD LYS 60 2HD LYS 60 -12.253 1.976 6.780 421 1HE LYS 60 1HE LYS 60 -13.696 4.062 8.519 422 2HE LYS 60 2HE LYS 60 -14.093 2.343 8.434 423 1HZ LYS 60 1HZ LYS 60 -11.809 1.912 9.201 424 2HZ LYS 60 2HZ LYS 60 -11.648 3.531 9.503 425 3HZ LYS 60 3HZ LYS 60 -12.789 2.665 10.293 426 H ASP 61 H ASP 61 -10.126 3.206 4.656 427 HA ASP 61 HA ASP 61 -7.680 2.286 3.478 428 1HB ASP 61 1HB ASP 61 -9.687 0.912 3.529 429 2HB ASP 61 2HB ASP 61 -10.573 2.102 2.559 430 H ASP 62 H ASP 62 -6.838 4.511 3.207 431 HA ASP 62 HA ASP 62 -6.225 6.372 2.056 432 1HB ASP 62 1HB ASP 62 -6.777 4.549 -0.327 433 2HB ASP 62 2HB ASP 62 -5.843 6.044 -0.381 434 H LYS 63 H LYS 63 -9.098 6.136 2.720 435 HA LYS 63 HA LYS 63 -10.502 7.587 0.584 436 1HB LYS 63 1HB LYS 63 -11.316 6.964 3.439 437 2HB LYS 63 2HB LYS 63 -12.360 7.610 2.163 438 1HG LYS 63 1HG LYS 63 -11.087 4.846 2.347 439 2HG LYS 63 2HG LYS 63 -12.793 5.268 2.474 440 1HD LYS 63 1HD LYS 63 -12.756 6.009 0.065 441 2HD LYS 63 2HD LYS 63 -11.052 5.520 -0.027 442 1HE LYS 63 1HE LYS 63 -12.418 3.781 -0.982 443 2HE LYS 63 2HE LYS 63 -11.623 3.194 0.482 444 1HZ LYS 63 1HZ LYS 63 -14.410 4.122 0.301 445 2HZ LYS 63 2HZ LYS 63 -13.920 2.549 0.352 446 3HZ LYS 63 3HZ LYS 63 -13.680 3.526 1.654 447 H CYS 64 H CYS 64 -9.008 9.265 0.342 448 HA CYS 64 HA CYS 64 -8.240 11.143 2.307 449 1HB CYS 64 1HB CYS 64 -8.446 11.254 -0.685 450 2HB CYS 64 2HB CYS 64 -8.004 12.680 0.236 451 H VAL 65 H VAL 65 -9.976 11.796 3.655 452 HA VAL 65 HA VAL 65 -11.595 13.971 2.468 453 HB VAL 65 HB VAL 65 -13.538 13.378 3.865 454 1HG1 VAL 65 1HG1 VAL 65 -13.483 12.848 1.444 455 2HG1 VAL 65 2HG1 VAL 65 -12.860 11.226 1.821 456 3HG1 VAL 65 3HG1 VAL 65 -14.474 11.709 2.372 457 1HG2 VAL 65 1HG2 VAL 65 -12.373 11.816 5.468 458 2HG2 VAL 65 2HG2 VAL 65 -13.832 11.118 4.741 459 3HG2 VAL 65 3HG2 VAL 65 -12.235 10.636 4.147 460 H SER 66 H SER 66 -11.964 15.716 4.004 461 HA SER 66 HA SER 66 -9.678 16.183 5.509 462 1HB SER 66 1HB SER 66 -12.365 17.584 5.635 463 2HB SER 66 2HB SER 66 -10.804 18.263 6.148 464 HG SER 66 HG SER 66 -10.051 18.080 4.046 465 H ALA 67 H ALA 67 -9.427 16.834 7.724 466 HA ALA 67 HA ALA 67 -9.543 14.856 9.546 467 1HB ALA 67 1HB ALA 67 -9.771 17.833 10.142 468 2HB ALA 67 2HB ALA 67 -9.298 16.575 11.302 469 3HB ALA 67 3HB ALA 67 -8.276 16.907 9.897 470 H GLU 68 H GLU 68 -11.952 17.427 9.275 471 HA GLU 68 HA GLU 68 -13.804 16.808 11.206 472 1HB GLU 68 1HB GLU 68 -14.636 17.553 8.364 473 2HB GLU 68 2HB GLU 68 -15.394 17.996 9.897 474 1HG GLU 68 1HG GLU 68 -12.778 19.058 8.717 475 2HG GLU 68 2HG GLU 68 -14.270 19.932 9.030 476 H ASP 69 H ASP 69 -13.673 15.419 7.908 477 HA ASP 69 HA ASP 69 -16.016 13.745 8.229 478 1HB ASP 69 1HB ASP 69 -13.764 13.596 6.185 479 2HB ASP 69 2HB ASP 69 -15.364 12.854 6.051 480 H CYS 70 H CYS 70 -12.498 13.266 8.145 481 HA CYS 70 HA CYS 70 -12.207 10.528 8.619 482 1HB CYS 70 1HB CYS 70 -10.138 11.408 8.408 483 2HB CYS 70 2HB CYS 70 -10.639 12.971 9.007 484 H GLU 71 H GLU 71 -12.608 13.091 11.092 485 HA GLU 71 HA GLU 71 -12.767 11.286 13.304 486 1HB GLU 71 1HB GLU 71 -13.638 14.179 12.891 487 2HB GLU 71 2HB GLU 71 -13.760 13.344 14.447 488 1HG GLU 71 1HG GLU 71 -11.378 12.963 14.533 489 2HG GLU 71 2HG GLU 71 -11.143 13.560 12.889 490 H LEU 72 H LEU 72 -15.367 13.195 11.688 491 HA LEU 72 HA LEU 72 -17.479 12.176 13.192 492 1HB LEU 72 1HB LEU 72 -17.382 13.210 10.340 493 2HB LEU 72 2HB LEU 72 -18.901 12.846 11.161 494 HG LEU 72 HG LEU 72 -16.884 14.811 12.326 495 1HD1 LEU 72 1HD1 LEU 72 -17.577 15.583 10.078 496 2HD1 LEU 72 2HD1 LEU 72 -19.283 15.381 10.532 497 3HD1 LEU 72 3HD1 LEU 72 -18.277 16.594 11.352 498 1HD2 LEU 72 1HD2 LEU 72 -19.862 14.359 12.813 499 2HD2 LEU 72 2HD2 LEU 72 -18.549 13.973 13.944 500 3HD2 LEU 72 3HD2 LEU 72 -18.883 15.654 13.528 501 H ASP 73 H ASP 73 -16.023 10.716 10.286 502 HA ASP 73 HA ASP 73 -18.000 8.802 9.752 503 1HB ASP 73 1HB ASP 73 -16.054 9.282 8.291 504 2HB ASP 73 2HB ASP 73 -14.990 8.485 9.465 505 H ASN 74 H ASN 74 -15.606 8.852 12.374 506 HA ASN 74 HA ASN 74 -16.303 6.086 13.198 507 1HB ASN 74 1HB ASN 74 -14.024 6.913 13.463 508 2HB ASN 74 2HB ASN 74 -14.583 8.199 14.531 509 1HD2 ASN 74 2HD2 ASN 74 -12.689 5.870 14.952 510 2HD2 ASN 74 1HD2 ASN 74 -13.281 5.186 16.470 511 H MET 75 H MET 75 -18.616 7.007 12.914 512 HA MET 75 HA MET 75 -19.838 8.719 14.761 513 1HB MET 75 1HB MET 75 -20.864 6.110 13.541 514 2HB MET 75 2HB MET 75 -21.837 7.143 14.582 515 1HG MET 75 1HG MET 75 -22.477 7.758 12.441 516 2HG MET 75 2HG MET 75 -21.457 9.066 13.035 517 1HE MET 75 1HE MET 75 -21.798 6.035 10.560 518 2HE MET 75 2HE MET 75 -20.239 6.098 9.700 519 3HE MET 75 3HE MET 75 -20.286 5.580 11.395 520 H ASP 76 H ASP 76 -18.695 5.432 15.232 521 HA ASP 76 HA ASP 76 -20.084 4.649 17.476 522 1HB ASP 76 1HB ASP 76 -18.588 3.243 16.061 523 2HB ASP 76 2HB ASP 76 -17.176 4.012 16.797 524 H PHE 77 H PHE 77 -16.911 6.376 17.468 525 HA PHE 77 HA PHE 77 -17.501 7.445 20.184 526 1HB PHE 77 1HB PHE 77 -15.166 5.610 19.572 527 2HB PHE 77 2HB PHE 77 -15.305 6.614 21.018 528 HD1 PHE 77 HD1 PHE 77 -17.487 6.263 22.476 529 HD2 PHE 77 HD2 PHE 77 -15.809 3.369 19.758 530 HE1 PHE 77 HE1 PHE 77 -18.479 4.426 23.813 531 HE2 PHE 77 HE2 PHE 77 -16.834 1.540 21.070 532 HZ PHE 77 HZ PHE 77 -18.155 2.061 23.116 533 H ILE 78 H ILE 78 -15.235 7.290 17.464 534 HA ILE 78 HA ILE 78 -13.685 8.668 16.650 535 HB ILE 78 HB ILE 78 -14.646 10.957 18.393 536 1HG1 ILE 78 1HG1 ILE 78 -15.648 10.079 15.652 537 2HG1 ILE 78 2HG1 ILE 78 -16.591 10.018 17.151 538 1HG2 ILE 78 1HG2 ILE 78 -12.423 11.066 17.116 539 2HG2 ILE 78 2HG2 ILE 78 -13.364 10.926 15.632 540 3HG2 ILE 78 3HG2 ILE 78 -13.592 12.321 16.713 541 1HD1 ILE 78 1HD1 ILE 78 -16.379 12.501 17.355 542 2HD1 ILE 78 2HD1 ILE 78 -15.644 12.526 15.733 543 3HD1 ILE 78 3HD1 ILE 78 -17.297 11.939 15.942 544 H TYR 79 H TYR 79 -13.903 9.561 20.122 545 HA TYR 79 HA TYR 79 -10.998 8.848 20.357 546 1HB TYR 79 1HB TYR 79 -12.291 11.370 21.393 547 2HB TYR 79 2HB TYR 79 -10.694 10.793 21.866 548 HD1 TYR 79 HD1 TYR 79 -9.154 10.031 19.726 549 HD2 TYR 79 HD2 TYR 79 -12.245 13.047 19.708 550 HE1 TYR 79 HE1 TYR 79 -8.295 10.902 17.587 551 HE2 TYR 79 HE2 TYR 79 -11.335 13.944 17.585 552 HH TYR 79 HH TYR 79 -9.012 12.097 15.672 553 HA PRO 80 HA PRO 80 -12.375 7.993 24.707 554 1HB PRO 80 1HB PRO 80 -15.042 7.931 25.462 555 2HB PRO 80 2HB PRO 80 -13.964 9.344 25.585 556 1HG PRO 80 1HG PRO 80 -15.875 8.679 23.324 557 2HG PRO 80 2HG PRO 80 -15.740 10.222 24.221 558 1HD PRO 80 1HD PRO 80 -14.516 9.975 21.877 559 2HD PRO 80 2HD PRO 80 -13.609 10.687 23.230 560 H GLY 81 H GLY 81 -13.194 6.384 21.909 561 1HA GLY 81 1HA GLY 81 -14.622 4.095 22.897 562 2HA GLY 81 2HA GLY 81 -13.563 4.162 21.474 563 H THR 82 H THR 82 -11.116 4.960 22.640 564 HA THR 82 HA THR 82 -10.198 2.579 24.016 565 HB THR 82 HB THR 82 -8.100 4.261 24.087 566 HG1 THR 82 HG1 THR 82 -9.158 6.128 23.458 567 1HG2 THR 82 1HG2 THR 82 -9.269 3.066 21.538 568 2HG2 THR 82 2HG2 THR 82 -7.604 3.643 21.735 569 3HG2 THR 82 3HG2 THR 82 -8.183 2.264 22.688 570 H ARG 83 H ARG 83 -12.222 4.769 25.299 571 HA ARG 83 HA ARG 83 -12.701 5.570 27.288 572 1HB ARG 83 1HB ARG 83 -10.368 4.067 28.532 573 2HB ARG 83 2HB ARG 83 -11.810 4.713 29.310 574 1HG ARG 83 1HG ARG 83 -11.661 2.369 27.356 575 2HG ARG 83 2HG ARG 83 -12.036 2.330 29.078 576 1HD ARG 83 1HD ARG 83 -14.082 3.764 28.564 577 2HD ARG 83 2HD ARG 83 -13.784 3.484 26.848 578 HE ARG 83 HE ARG 83 -14.761 1.611 28.879 579 1HH1 ARG 83 1HH1 ARG 83 -13.484 1.857 25.512 580 2HH1 ARG 83 2HH1 ARG 83 -14.039 0.270 25.115 581 1HH2 ARG 83 1HH2 ARG 83 -15.478 -0.425 28.260 582 2HH2 ARG 83 2HH2 ARG 83 -15.194 -1.028 26.650 583 H ASN 84 H ASN 84 -9.121 5.468 27.244 584 HA ASN 84 HA ASN 84 -8.861 8.278 27.971 585 1HB ASN 84 1HB ASN 84 -7.087 6.516 28.330 586 2HB ASN 84 2HB ASN 84 -6.858 6.424 26.580 587 1HD2 ASN 84 2HD2 ASN 84 -6.208 8.667 25.459 588 2HD2 ASN 84 1HD2 ASN 84 -5.184 9.658 26.468 589 HA PRO 85 HA PRO 85 -10.015 9.474 23.788 590 1HB PRO 85 1HB PRO 85 -8.998 12.031 23.610 591 2HB PRO 85 2HB PRO 85 -10.446 11.600 24.562 592 1HG PRO 85 1HG PRO 85 -7.598 11.865 25.564 593 2HG PRO 85 2HG PRO 85 -9.072 12.609 26.254 594 1HD PRO 85 1HD PRO 85 -8.064 10.327 27.274 595 2HD PRO 85 2HD PRO 85 -9.833 10.495 27.084 Start of MODEL 14 1 1H LYS 1 1H LYS 1 2.646 2.129 -3.441 2 2H LYS 1 2H LYS 1 3.418 2.562 -2.050 3 3H LYS 1 3H LYS 1 2.591 3.695 -2.921 4 HA LYS 1 HA LYS 1 4.863 4.007 -3.286 5 1HB LYS 1 1HB LYS 1 5.370 1.602 -2.676 6 2HB LYS 1 2HB LYS 1 4.947 1.161 -4.337 7 1HG LYS 1 1HG LYS 1 6.827 2.522 -5.185 8 2HG LYS 1 2HG LYS 1 7.110 3.187 -3.578 9 1HD LYS 1 1HD LYS 1 8.763 1.466 -4.114 10 2HD LYS 1 2HD LYS 1 7.780 0.974 -2.735 11 1HE LYS 1 1HE LYS 1 8.200 -0.887 -4.315 12 2HE LYS 1 2HE LYS 1 6.477 -0.559 -4.123 13 1HZ LYS 1 1HZ LYS 1 8.152 0.378 -6.351 14 2HZ LYS 1 2HZ LYS 1 7.093 -0.884 -6.407 15 3HZ LYS 1 3HZ LYS 1 6.535 0.650 -6.182 16 H ALA 2 H ALA 2 2.394 4.574 -4.562 17 HA ALA 2 HA ALA 2 2.315 3.617 -7.273 18 1HB ALA 2 1HB ALA 2 0.324 4.100 -5.881 19 2HB ALA 2 2HB ALA 2 0.733 5.830 -5.915 20 3HB ALA 2 3HB ALA 2 0.297 4.986 -7.415 21 H THR 3 H THR 3 4.662 5.541 -6.391 22 HA THR 3 HA THR 3 5.680 7.440 -7.053 23 HB THR 3 HB THR 3 6.466 5.924 -8.692 24 HG1 THR 3 HG1 THR 3 7.165 7.367 -10.121 25 1HG2 THR 3 1HG2 THR 3 4.094 6.607 -10.456 26 2HG2 THR 3 2HG2 THR 3 5.539 5.716 -10.961 27 3HG2 THR 3 3HG2 THR 3 4.477 5.027 -9.733 28 H MET 4 H MET 4 4.750 8.632 -9.800 29 HA MET 4 HA MET 4 3.021 10.728 -8.624 30 1HB MET 4 1HB MET 4 4.393 10.478 -11.326 31 2HB MET 4 2HB MET 4 3.605 11.941 -10.701 32 1HG MET 4 1HG MET 4 5.138 12.138 -8.891 33 2HG MET 4 2HG MET 4 5.980 10.646 -9.319 34 1HE MET 4 1HE MET 4 7.609 10.356 -11.276 35 2HE MET 4 2HE MET 4 6.360 10.803 -12.467 36 3HE MET 4 3HE MET 4 7.946 11.603 -12.501 37 H GLN 5 H GLN 5 1.979 11.266 -11.423 38 HA GLN 5 HA GLN 5 0.245 10.807 -12.790 39 1HB GLN 5 1HB GLN 5 -0.280 8.126 -11.473 40 2HB GLN 5 2HB GLN 5 -0.791 8.686 -13.040 41 1HG GLN 5 1HG GLN 5 1.185 8.192 -14.064 42 2HG GLN 5 2HG GLN 5 2.194 8.591 -12.682 43 1HE2 GLN 5 2HE2 GLN 5 1.561 7.055 -10.607 44 2HE2 GLN 5 1HE2 GLN 5 1.672 5.366 -11.041 45 H CYS 6 H CYS 6 -0.522 9.261 -9.680 46 HA CYS 6 HA CYS 6 -2.293 9.509 -8.232 47 1HB CYS 6 1HB CYS 6 -1.435 12.418 -8.425 48 2HB CYS 6 2HB CYS 6 -2.089 11.542 -7.040 49 H GLY 7 H GLY 7 -3.633 9.049 -10.292 50 1HA GLY 7 1HA GLY 7 -5.526 11.143 -11.098 51 2HA GLY 7 2HA GLY 7 -5.528 9.439 -11.581 52 H GLU 8 H GLU 8 -5.850 11.385 -8.595 53 HA GLU 8 HA GLU 8 -8.415 10.363 -7.815 54 1HB GLU 8 1HB GLU 8 -6.979 8.397 -7.282 55 2HB GLU 8 2HB GLU 8 -5.888 9.416 -6.344 56 1HG GLU 8 1HG GLU 8 -7.457 7.937 -5.051 57 2HG GLU 8 2HG GLU 8 -7.516 9.622 -4.571 58 H ASN 9 H ASN 9 -8.547 11.318 -5.279 59 HA ASN 9 HA ASN 9 -7.785 14.102 -5.442 60 1HB ASN 9 1HB ASN 9 -9.830 13.274 -4.309 61 2HB ASN 9 2HB ASN 9 -8.822 12.478 -3.091 62 1HD2 ASN 9 2HD2 ASN 9 -9.855 13.825 -1.341 63 2HD2 ASN 9 1HD2 ASN 9 -9.438 15.518 -1.275 64 H GLU 10 H GLU 10 -5.362 12.905 -5.843 65 HA GLU 10 HA GLU 10 -3.904 13.168 -3.276 66 1HB GLU 10 1HB GLU 10 -3.591 10.924 -5.322 67 2HB GLU 10 2HB GLU 10 -2.549 11.210 -3.919 68 1HG GLU 10 1HG GLU 10 -4.684 11.029 -2.490 69 2HG GLU 10 2HG GLU 10 -5.477 10.391 -3.928 70 H LYS 11 H LYS 11 -1.708 13.606 -3.513 71 HA LYS 11 HA LYS 11 -0.768 14.747 -6.088 72 1HB LYS 11 1HB LYS 11 0.504 16.392 -4.728 73 2HB LYS 11 2HB LYS 11 -1.245 16.615 -4.580 74 1HG LYS 11 1HG LYS 11 -1.245 15.479 -2.391 75 2HG LYS 11 2HG LYS 11 0.482 15.119 -2.548 76 1HD LYS 11 1HD LYS 11 1.067 17.464 -2.475 77 2HD LYS 11 2HD LYS 11 -0.631 17.951 -2.583 78 1HE LYS 11 1HE LYS 11 0.246 18.137 -0.266 79 2HE LYS 11 2HE LYS 11 -1.112 17.004 -0.377 80 1HZ LYS 11 1HZ LYS 11 1.721 16.234 -0.332 81 2HZ LYS 11 2HZ LYS 11 0.682 16.154 0.948 82 3HZ LYS 11 3HZ LYS 11 0.427 15.211 -0.376 83 H TYR 12 H TYR 12 1.648 14.632 -6.149 84 HA TYR 12 HA TYR 12 2.635 12.062 -5.295 85 1HB TYR 12 1HB TYR 12 3.482 13.128 -7.307 86 2HB TYR 12 2HB TYR 12 3.991 14.554 -6.397 87 HD1 TYR 12 HD1 TYR 12 4.516 10.855 -6.575 88 HD2 TYR 12 HD2 TYR 12 6.159 14.656 -5.408 89 HE1 TYR 12 HE1 TYR 12 6.572 9.728 -5.819 90 HE2 TYR 12 HE2 TYR 12 8.191 13.525 -4.579 91 HH TYR 12 HH TYR 12 9.084 11.476 -3.998 92 H ASP 13 H ASP 13 4.029 11.558 -3.584 93 HA ASP 13 HA ASP 13 5.310 13.675 -2.042 94 1HB ASP 13 1HB ASP 13 3.231 13.514 -0.797 95 2HB ASP 13 2HB ASP 13 3.337 11.734 -0.796 96 H SER 14 H SER 14 7.273 13.001 -1.373 97 HA SER 14 HA SER 14 8.194 10.276 -1.933 98 1HB SER 14 1HB SER 14 9.597 12.610 -0.577 99 2HB SER 14 2HB SER 14 10.349 11.140 -1.217 100 HG SER 14 HG SER 14 10.429 13.018 -2.628 101 H CYS 15 H CYS 15 6.202 9.705 -0.172 102 HA CYS 15 HA CYS 15 7.883 8.644 1.837 103 1HB CYS 15 1HB CYS 15 7.528 10.786 3.049 104 2HB CYS 15 2HB CYS 15 5.807 10.369 3.118 105 H GLY 16 H GLY 16 7.012 6.845 0.495 106 1HA GLY 16 1HA GLY 16 6.299 4.727 1.046 107 2HA GLY 16 2HA GLY 16 5.661 5.332 2.553 108 H SER 17 H SER 17 4.316 3.400 1.281 109 HA SER 17 HA SER 17 2.286 4.128 -0.571 110 1HB SER 17 1HB SER 17 2.468 1.882 1.475 111 2HB SER 17 2HB SER 17 1.382 1.928 0.070 112 HG SER 17 HG SER 17 3.428 0.785 -0.260 113 H LYS 18 H LYS 18 1.718 6.214 0.602 114 HA LYS 18 HA LYS 18 0.355 7.515 1.867 115 1HB LYS 18 1HB LYS 18 -1.527 5.130 2.037 116 2HB LYS 18 2HB LYS 18 -1.931 6.849 2.161 117 1HG LYS 18 1HG LYS 18 -1.139 7.166 -0.206 118 2HG LYS 18 2HG LYS 18 -0.833 5.426 -0.311 119 1HD LYS 18 1HD LYS 18 -3.285 5.042 0.233 120 2HD LYS 18 2HD LYS 18 -3.521 6.791 0.031 121 1HE LYS 18 1HE LYS 18 -2.484 6.613 -2.268 122 2HE LYS 18 2HE LYS 18 -2.363 4.860 -2.052 123 1HZ LYS 18 1HZ LYS 18 -4.740 4.785 -1.847 124 2HZ LYS 18 2HZ LYS 18 -4.851 6.417 -2.083 125 3HZ LYS 18 3HZ LYS 18 -4.284 5.451 -3.286 126 H GLU 19 H GLU 19 2.463 6.188 3.120 127 HA GLU 19 HA GLU 19 1.549 4.856 5.537 128 1HB GLU 19 1HB GLU 19 4.255 5.652 4.407 129 2HB GLU 19 2HB GLU 19 4.062 4.938 6.013 130 1HG GLU 19 1HG GLU 19 3.205 2.901 5.167 131 2HG GLU 19 2HG GLU 19 2.840 3.596 3.588 132 H CYS 20 H CYS 20 4.010 7.388 5.515 133 HA CYS 20 HA CYS 20 2.876 8.464 8.026 134 1HB CYS 20 1HB CYS 20 5.539 9.177 6.835 135 2HB CYS 20 2HB CYS 20 5.016 9.197 8.524 136 H ASP 21 H ASP 21 1.330 9.070 5.843 137 HA ASP 21 HA ASP 21 2.104 11.749 4.818 138 1HB ASP 21 1HB ASP 21 0.444 11.408 3.178 139 2HB ASP 21 2HB ASP 21 1.283 9.864 3.318 140 H LYS 22 H LYS 22 -0.777 12.486 4.501 141 HA LYS 22 HA LYS 22 -1.384 13.410 7.235 142 1HB LYS 22 1HB LYS 22 -2.770 13.753 4.559 143 2HB LYS 22 2HB LYS 22 -3.376 14.396 6.086 144 1HG LYS 22 1HG LYS 22 -1.246 15.592 6.474 145 2HG LYS 22 2HG LYS 22 -0.671 15.131 4.871 146 1HD LYS 22 1HD LYS 22 -3.336 16.572 5.197 147 2HD LYS 22 2HD LYS 22 -1.825 17.476 5.337 148 1HE LYS 22 1HE LYS 22 -2.705 17.603 3.063 149 2HE LYS 22 2HE LYS 22 -1.127 16.797 3.082 150 1HZ LYS 22 1HZ LYS 22 -3.741 15.461 2.983 151 2HZ LYS 22 2HZ LYS 22 -2.749 15.696 1.686 152 3HZ LYS 22 3HZ LYS 22 -2.266 14.720 2.914 153 H LYS 23 H LYS 23 -1.199 11.032 7.751 154 HA LYS 23 HA LYS 23 -3.526 9.319 7.392 155 1HB LYS 23 1HB LYS 23 -2.441 8.418 9.688 156 2HB LYS 23 2HB LYS 23 -1.904 7.975 8.083 157 1HG LYS 23 1HG LYS 23 -0.001 8.399 9.470 158 2HG LYS 23 2HG LYS 23 -0.038 9.470 8.122 159 1HD LYS 23 1HD LYS 23 0.721 10.640 10.117 160 2HD LYS 23 2HD LYS 23 -0.837 11.326 9.681 161 1HE LYS 23 1HE LYS 23 -0.702 11.018 12.079 162 2HE LYS 23 2HE LYS 23 -1.963 9.982 11.416 163 1HZ LYS 23 1HZ LYS 23 0.757 9.118 12.121 164 2HZ LYS 23 2HZ LYS 23 -0.607 8.861 13.013 165 3HZ LYS 23 3HZ LYS 23 -0.440 8.138 11.550 166 H CYS 24 H CYS 24 -5.501 9.454 8.402 167 HA CYS 24 HA CYS 24 -6.078 11.631 10.203 168 1HB CYS 24 1HB CYS 24 -7.923 10.693 9.082 169 2HB CYS 24 2HB CYS 24 -7.523 9.035 9.612 170 H LYS 25 H LYS 25 -5.624 8.122 10.814 171 HA LYS 25 HA LYS 25 -5.338 6.952 12.718 172 1HB LYS 25 1HB LYS 25 -3.109 8.001 11.971 173 2HB LYS 25 2HB LYS 25 -3.309 9.109 13.331 174 1HG LYS 25 1HG LYS 25 -1.912 7.372 14.127 175 2HG LYS 25 2HG LYS 25 -3.473 6.961 14.822 176 1HD LYS 25 1HD LYS 25 -3.832 5.299 12.978 177 2HD LYS 25 2HD LYS 25 -2.269 5.772 12.282 178 1HE LYS 25 1HE LYS 25 -1.134 5.009 14.365 179 2HE LYS 25 2HE LYS 25 -2.706 4.486 15.006 180 1HZ LYS 25 1HZ LYS 25 -2.867 3.020 13.079 181 2HZ LYS 25 2HZ LYS 25 -1.347 3.461 12.603 182 3HZ LYS 25 3HZ LYS 25 -1.566 2.671 14.024 183 H TYR 26 H TYR 26 -7.530 8.575 13.097 184 HA TYR 26 HA TYR 26 -7.606 10.022 15.470 185 1HB TYR 26 1HB TYR 26 -9.957 9.525 15.598 186 2HB TYR 26 2HB TYR 26 -9.455 10.077 14.019 187 HD1 TYR 26 HD1 TYR 26 -8.543 6.819 13.353 188 HD2 TYR 26 HD2 TYR 26 -12.065 9.016 14.573 189 HE1 TYR 26 HE1 TYR 26 -9.896 5.514 11.808 190 HE2 TYR 26 HE2 TYR 26 -13.408 7.615 13.084 191 HH TYR 26 HH TYR 26 -13.437 6.040 11.486 192 H ASP 27 H ASP 27 -7.542 6.481 15.143 193 HA ASP 27 HA ASP 27 -7.372 4.844 16.686 194 1HB ASP 27 1HB ASP 27 -5.333 6.064 17.294 195 2HB ASP 27 2HB ASP 27 -6.215 7.049 18.456 196 H GLY 28 H GLY 28 -7.850 6.286 19.698 197 1HA GLY 28 1HA GLY 28 -9.614 6.388 21.095 198 2HA GLY 28 2HA GLY 28 -10.751 6.444 19.741 199 H VAL 29 H VAL 29 -10.915 4.492 18.504 200 HA VAL 29 HA VAL 29 -10.305 1.882 19.730 201 HB VAL 29 HB VAL 29 -13.114 2.709 18.890 202 1HG1 VAL 29 1HG1 VAL 29 -12.036 -0.064 19.560 203 2HG1 VAL 29 2HG1 VAL 29 -13.753 0.355 19.405 204 3HG1 VAL 29 3HG1 VAL 29 -12.698 0.461 17.996 205 1HG2 VAL 29 1HG2 VAL 29 -11.925 1.673 21.511 206 2HG2 VAL 29 2HG2 VAL 29 -12.594 3.293 21.223 207 3HG2 VAL 29 3HG2 VAL 29 -13.657 1.882 21.213 208 H GLU 30 H GLU 30 -11.290 3.895 16.958 209 HA GLU 30 HA GLU 30 -10.893 1.863 14.965 210 1HB GLU 30 1HB GLU 30 -11.131 4.899 14.779 211 2HB GLU 30 2HB GLU 30 -11.194 3.740 13.444 212 1HG GLU 30 1HG GLU 30 -13.431 4.227 13.828 213 2HG GLU 30 2HG GLU 30 -13.203 2.658 14.601 214 H GLU 31 H GLU 31 -8.741 1.327 16.022 215 HA GLU 31 HA GLU 31 -6.464 2.927 14.918 216 1HB GLU 31 1HB GLU 31 -5.139 0.902 15.895 217 2HB GLU 31 2HB GLU 31 -5.699 2.222 16.907 218 1HG GLU 31 1HG GLU 31 -5.997 0.146 18.064 219 2HG GLU 31 2HG GLU 31 -7.566 0.869 17.763 220 H GLU 32 H GLU 32 -8.249 -0.082 14.547 221 HA GLU 32 HA GLU 32 -6.971 -1.206 12.336 222 1HB GLU 32 1HB GLU 32 -9.179 -2.249 11.875 223 2HB GLU 32 2HB GLU 32 -8.643 -2.386 13.547 224 1HG GLU 32 1HG GLU 32 -10.996 -1.943 13.541 225 2HG GLU 32 2HG GLU 32 -10.196 -0.525 14.205 226 H ASP 33 H ASP 33 -7.875 -1.240 10.056 227 HA ASP 33 HA ASP 33 -8.201 -0.251 8.110 228 1HB ASP 33 1HB ASP 33 -10.059 1.325 9.775 229 2HB ASP 33 2HB ASP 33 -9.334 2.300 8.506 230 H ASP 34 H ASP 34 -7.315 2.422 10.382 231 HA ASP 34 HA ASP 34 -5.492 3.581 8.474 232 1HB ASP 34 1HB ASP 34 -6.564 4.757 10.445 233 2HB ASP 34 2HB ASP 34 -5.359 3.980 11.480 234 H GLU 35 H GLU 35 -5.006 1.642 11.414 235 HA GLU 35 HA GLU 35 -3.616 0.091 12.097 236 1HB GLU 35 1HB GLU 35 -3.527 -0.435 9.111 237 2HB GLU 35 2HB GLU 35 -2.796 -1.527 10.302 238 1HG GLU 35 1HG GLU 35 -4.886 -1.891 11.426 239 2HG GLU 35 2HG GLU 35 -5.651 -0.578 10.517 240 H GLU 36 H GLU 36 -1.801 1.441 9.313 241 HA GLU 36 HA GLU 36 0.597 0.264 10.005 242 1HB GLU 36 1HB GLU 36 0.146 2.909 8.574 243 2HB GLU 36 2HB GLU 36 1.685 2.032 8.598 244 1HG GLU 36 1HG GLU 36 0.533 0.025 7.611 245 2HG GLU 36 2HG GLU 36 -0.947 0.984 7.445 246 HA PRO 37 HA PRO 37 2.096 2.647 13.528 247 1HB PRO 37 1HB PRO 37 4.660 1.819 13.677 248 2HB PRO 37 2HB PRO 37 3.307 0.691 13.934 249 1HG PRO 37 1HG PRO 37 4.813 1.123 11.330 250 2HG PRO 37 2HG PRO 37 4.528 -0.428 12.175 251 1HD PRO 37 1HD PRO 37 2.919 0.440 10.164 252 2HD PRO 37 2HD PRO 37 2.233 -0.407 11.584 253 H ASN 38 H ASN 38 1.543 4.349 11.815 254 HA ASN 38 HA ASN 38 3.760 5.524 10.323 255 1HB ASN 38 1HB ASN 38 1.939 6.982 9.419 256 2HB ASN 38 2HB ASN 38 1.821 5.249 9.088 257 1HD2 ASN 38 2HD2 ASN 38 -0.463 5.794 8.571 258 2HD2 ASN 38 1HD2 ASN 38 -1.614 5.721 9.885 259 H VAL 39 H VAL 39 1.841 6.304 13.194 260 HA VAL 39 HA VAL 39 2.589 8.936 13.656 261 HB VAL 39 HB VAL 39 2.253 6.676 15.659 262 1HG1 VAL 39 1HG1 VAL 39 2.491 9.681 16.150 263 2HG1 VAL 39 2HG1 VAL 39 1.943 8.487 17.344 264 3HG1 VAL 39 3HG1 VAL 39 3.608 8.437 16.755 265 1HG2 VAL 39 1HG2 VAL 39 0.293 7.243 14.316 266 2HG2 VAL 39 2HG2 VAL 39 0.081 7.669 16.019 267 3HG2 VAL 39 3HG2 VAL 39 0.427 8.943 14.834 268 HA PRO 40 HA PRO 40 6.993 7.947 15.152 269 1HB PRO 40 1HB PRO 40 7.953 5.441 15.489 270 2HB PRO 40 2HB PRO 40 6.836 6.155 16.686 271 1HG PRO 40 1HG PRO 40 6.073 4.390 14.321 272 2HG PRO 40 2HG PRO 40 5.722 4.073 16.050 273 1HD PRO 40 1HD PRO 40 3.906 5.288 14.481 274 2HD PRO 40 2HD PRO 40 4.220 5.892 16.139 275 H CYS 41 H CYS 41 5.518 7.051 12.356 276 HA CYS 41 HA CYS 41 5.962 6.056 10.418 277 1HB CYS 41 1HB CYS 41 6.785 8.416 10.325 278 2HB CYS 41 2HB CYS 41 8.429 7.816 10.598 279 H LEU 42 H LEU 42 6.503 4.144 12.143 280 HA LEU 42 HA LEU 42 9.197 3.357 12.460 281 1HB LEU 42 1HB LEU 42 7.370 2.572 13.897 282 2HB LEU 42 2HB LEU 42 6.676 1.680 12.537 283 HG LEU 42 HG LEU 42 8.650 0.187 12.489 284 1HD1 LEU 42 1HD1 LEU 42 9.560 1.817 14.907 285 2HD1 LEU 42 2HD1 LEU 42 10.254 0.259 14.410 286 3HD1 LEU 42 3HD1 LEU 42 10.413 1.664 13.354 287 1HD2 LEU 42 1HD2 LEU 42 6.671 -0.382 13.849 288 2HD2 LEU 42 2HD2 LEU 42 8.162 -0.986 14.591 289 3HD2 LEU 42 3HD2 LEU 42 7.375 0.467 15.241 290 H VAL 43 H VAL 43 6.858 2.596 9.965 291 HA VAL 43 HA VAL 43 8.086 0.662 8.399 292 HB VAL 43 HB VAL 43 7.072 1.920 6.446 293 1HG1 VAL 43 1HG1 VAL 43 5.812 0.231 7.756 294 2HG1 VAL 43 2HG1 VAL 43 5.220 1.517 8.831 295 3HG1 VAL 43 3HG1 VAL 43 4.773 1.511 7.112 296 1HG2 VAL 43 1HG2 VAL 43 6.256 3.934 8.606 297 2HG2 VAL 43 2HG2 VAL 43 7.228 4.237 7.146 298 3HG2 VAL 43 3HG2 VAL 43 5.533 3.780 7.017 299 H ARG 44 H ARG 44 8.986 4.106 8.664 300 HA ARG 44 HA ARG 44 10.737 5.248 8.185 301 1HB ARG 44 1HB ARG 44 11.750 3.209 9.385 302 2HB ARG 44 2HB ARG 44 12.339 2.699 7.805 303 1HG ARG 44 1HG ARG 44 14.077 3.871 9.028 304 2HG ARG 44 2HG ARG 44 13.641 4.795 7.589 305 1HD ARG 44 1HD ARG 44 14.002 6.180 9.663 306 2HD ARG 44 2HD ARG 44 12.437 6.416 8.891 307 HE ARG 44 HE ARG 44 12.625 4.415 11.076 308 1HH1 ARG 44 1HH1 ARG 44 11.648 7.728 10.228 309 2HH1 ARG 44 2HH1 ARG 44 10.481 7.822 11.525 310 1HH2 ARG 44 1HH2 ARG 44 11.130 4.603 12.768 311 2HH2 ARG 44 2HH2 ARG 44 10.097 6.010 12.891 312 H VAL 45 H VAL 45 10.385 2.657 5.781 313 HA VAL 45 HA VAL 45 11.899 3.888 3.722 314 HB VAL 45 HB VAL 45 10.784 2.249 2.246 315 1HG1 VAL 45 1HG1 VAL 45 12.834 1.715 3.502 316 2HG1 VAL 45 2HG1 VAL 45 11.858 1.110 4.858 317 3HG1 VAL 45 3HG1 VAL 45 11.807 0.288 3.287 318 1HG2 VAL 45 1HG2 VAL 45 8.534 2.040 3.376 319 2HG2 VAL 45 2HG2 VAL 45 9.352 0.500 3.133 320 3HG2 VAL 45 3HG2 VAL 45 9.329 1.238 4.737 321 H CYS 46 H CYS 46 11.022 6.094 4.134 322 HA CYS 46 HA CYS 46 8.531 6.871 2.982 323 1HB CYS 46 1HB CYS 46 11.097 8.320 3.667 324 2HB CYS 46 2HB CYS 46 9.883 9.145 2.723 325 H HIS 47 H HIS 47 8.785 5.326 1.061 326 HA HIS 47 HA HIS 47 10.362 6.501 -1.169 327 1HB HIS 47 1HB HIS 47 9.912 4.397 -2.328 328 2HB HIS 47 2HB HIS 47 10.803 4.236 -0.816 329 HD1 HIS 47 HD1 HIS 47 6.941 4.298 -1.130 330 HD2 HIS 47 HD2 HIS 47 10.174 1.805 -0.114 331 HE1 HIS 47 HE1 HIS 47 5.942 2.123 -0.208 332 H GLN 48 H GLN 48 9.533 7.514 -2.740 333 HA GLN 48 HA GLN 48 7.595 8.843 -3.574 334 1HB GLN 48 1HB GLN 48 7.769 7.872 -5.909 335 2HB GLN 48 2HB GLN 48 9.274 8.267 -5.097 336 1HG GLN 48 1HG GLN 48 10.030 6.251 -5.605 337 2HG GLN 48 2HG GLN 48 8.891 5.527 -4.477 338 1HE2 GLN 48 2HE2 GLN 48 6.707 4.990 -5.353 339 2HE2 GLN 48 1HE2 GLN 48 6.635 4.333 -6.976 340 H ASP 49 H ASP 49 5.401 9.011 -3.375 341 HA ASP 49 HA ASP 49 3.736 6.860 -4.455 342 1HB ASP 49 1HB ASP 49 4.282 6.152 -2.082 343 2HB ASP 49 2HB ASP 49 3.640 7.707 -1.532 344 H CYS 50 H CYS 50 1.378 7.475 -4.239 345 HA CYS 50 HA CYS 50 0.902 10.390 -4.494 346 1HB CYS 50 1HB CYS 50 -0.773 7.912 -5.060 347 2HB CYS 50 2HB CYS 50 -1.373 9.567 -5.213 348 H VAL 51 H VAL 51 -0.013 11.461 -2.734 349 HA VAL 51 HA VAL 51 -1.533 9.877 -0.720 350 HB VAL 51 HB VAL 51 -0.449 10.902 1.102 351 1HG1 VAL 51 1HG1 VAL 51 0.726 8.944 0.120 352 2HG1 VAL 51 2HG1 VAL 51 1.779 10.032 -0.796 353 3HG1 VAL 51 3HG1 VAL 51 1.830 10.040 0.971 354 1HG2 VAL 51 1HG2 VAL 51 1.067 12.604 -0.907 355 2HG2 VAL 51 2HG2 VAL 51 -0.065 13.156 0.344 356 3HG2 VAL 51 3HG2 VAL 51 1.493 12.482 0.820 357 H CYS 52 H CYS 52 -2.935 11.292 0.590 358 HA CYS 52 HA CYS 52 -4.690 12.643 -1.000 359 1HB CYS 52 1HB CYS 52 -4.257 13.151 1.952 360 2HB CYS 52 2HB CYS 52 -5.709 13.515 1.015 361 H GLU 53 H GLU 53 -5.221 14.666 -1.663 362 HA GLU 53 HA GLU 53 -3.178 16.665 -1.837 363 1HB GLU 53 1HB GLU 53 -6.166 16.675 -2.358 364 2HB GLU 53 2HB GLU 53 -5.179 18.132 -2.556 365 1HG GLU 53 1HG GLU 53 -3.756 17.012 -4.194 366 2HG GLU 53 2HG GLU 53 -4.604 15.485 -3.922 367 H GLU 54 H GLU 54 -3.434 18.899 -1.142 368 HA GLU 54 HA GLU 54 -3.032 19.288 1.532 369 1HB GLU 54 1HB GLU 54 -4.265 21.339 -0.357 370 2HB GLU 54 2HB GLU 54 -3.400 21.651 1.148 371 1HG GLU 54 1HG GLU 54 -1.678 22.023 -0.287 372 2HG GLU 54 2HG GLU 54 -1.432 20.289 -0.078 373 H GLY 55 H GLY 55 -4.265 19.464 3.364 374 1HA GLY 55 1HA GLY 55 -6.072 20.020 4.690 375 2HA GLY 55 2HA GLY 55 -7.047 20.374 3.262 376 H PHE 56 H PHE 56 -6.269 17.551 2.145 377 HA PHE 56 HA PHE 56 -8.481 16.145 3.493 378 1HB PHE 56 1HB PHE 56 -6.841 15.458 1.046 379 2HB PHE 56 2HB PHE 56 -8.275 14.614 1.611 380 HD1 PHE 56 HD1 PHE 56 -10.472 16.079 1.818 381 HD2 PHE 56 HD2 PHE 56 -7.045 17.390 -0.388 382 HE1 PHE 56 HE1 PHE 56 -11.969 17.054 0.097 383 HE2 PHE 56 HE2 PHE 56 -8.515 18.446 -2.069 384 HZ PHE 56 HZ PHE 56 -10.988 18.293 -1.834 385 H TYR 57 H TYR 57 -8.167 13.977 4.367 386 HA TYR 57 HA TYR 57 -5.355 13.234 5.018 387 1HB TYR 57 1HB TYR 57 -7.816 13.437 6.813 388 2HB TYR 57 2HB TYR 57 -6.454 12.401 7.199 389 HD1 TYR 57 HD1 TYR 57 -7.231 16.008 6.418 390 HD2 TYR 57 HD2 TYR 57 -4.661 13.205 8.444 391 HE1 TYR 57 HE1 TYR 57 -5.952 17.886 7.392 392 HE2 TYR 57 HE2 TYR 57 -3.415 15.080 9.462 393 HH TYR 57 HH TYR 57 -3.197 17.375 9.611 394 H ARG 58 H ARG 58 -5.018 10.963 5.065 395 HA ARG 58 HA ARG 58 -7.182 9.451 3.730 396 1HB ARG 58 1HB ARG 58 -5.928 7.516 3.846 397 2HB ARG 58 2HB ARG 58 -5.105 8.803 2.981 398 1HG ARG 58 1HG ARG 58 -3.347 7.964 3.999 399 2HG ARG 58 2HG ARG 58 -3.793 9.074 5.293 400 1HD ARG 58 1HD ARG 58 -4.755 7.135 6.561 401 2HD ARG 58 2HD ARG 58 -4.693 6.144 5.086 402 HE ARG 58 HE ARG 58 -2.080 7.001 5.646 403 1HH1 ARG 58 1HH1 ARG 58 -4.511 4.595 6.701 404 2HH1 ARG 58 2HH1 ARG 58 -3.310 3.561 7.439 405 1HH2 ARG 58 1HH2 ARG 58 -0.648 5.485 6.054 406 2HH2 ARG 58 2HH2 ARG 58 -1.025 3.942 6.772 407 H ASN 59 H ASN 59 -8.893 9.367 4.922 408 HA ASN 59 HA ASN 59 -9.012 9.324 7.767 409 1HB ASN 59 1HB ASN 59 -11.040 8.499 5.663 410 2HB ASN 59 2HB ASN 59 -11.358 8.472 7.396 411 1HD2 ASN 59 2HD2 ASN 59 -9.473 11.007 5.511 412 2HD2 ASN 59 1HD2 ASN 59 -10.544 12.274 5.963 413 H LYS 60 H LYS 60 -8.682 6.806 5.388 414 HA LYS 60 HA LYS 60 -8.124 4.781 7.470 415 1HB LYS 60 1HB LYS 60 -10.034 4.353 5.139 416 2HB LYS 60 2HB LYS 60 -9.430 3.112 6.238 417 1HG LYS 60 1HG LYS 60 -10.470 4.312 8.150 418 2HG LYS 60 2HG LYS 60 -11.119 5.536 7.052 419 1HD LYS 60 1HD LYS 60 -12.698 4.133 6.110 420 2HD LYS 60 2HD LYS 60 -11.801 2.662 6.484 421 1HE LYS 60 1HE LYS 60 -13.816 2.896 7.915 422 2HE LYS 60 2HE LYS 60 -12.327 2.859 8.868 423 1HZ LYS 60 1HZ LYS 60 -12.430 5.240 9.028 424 2HZ LYS 60 2HZ LYS 60 -13.842 5.282 8.172 425 3HZ LYS 60 3HZ LYS 60 -13.780 4.542 9.638 426 H ASP 61 H ASP 61 -8.353 5.062 3.958 427 HA ASP 61 HA ASP 61 -5.535 4.059 3.697 428 1HB ASP 61 1HB ASP 61 -6.616 2.645 1.772 429 2HB ASP 61 2HB ASP 61 -6.659 2.073 3.450 430 H ASP 62 H ASP 62 -7.970 4.471 1.277 431 HA ASP 62 HA ASP 62 -6.422 6.637 -0.088 432 1HB ASP 62 1HB ASP 62 -6.901 4.580 -1.446 433 2HB ASP 62 2HB ASP 62 -8.630 4.850 -1.190 434 H LYS 63 H LYS 63 -8.565 6.448 2.292 435 HA LYS 63 HA LYS 63 -10.852 7.702 1.142 436 1HB LYS 63 1HB LYS 63 -10.137 7.221 4.036 437 2HB LYS 63 2HB LYS 63 -11.718 7.759 3.453 438 1HG LYS 63 1HG LYS 63 -10.385 5.083 2.854 439 2HG LYS 63 2HG LYS 63 -11.726 5.395 3.964 440 1HD LYS 63 1HD LYS 63 -13.106 6.173 2.011 441 2HD LYS 63 2HD LYS 63 -11.780 5.687 0.927 442 1HE LYS 63 1HE LYS 63 -11.913 3.363 1.793 443 2HE LYS 63 2HE LYS 63 -13.263 3.834 2.844 444 1HZ LYS 63 1HZ LYS 63 -14.504 4.406 0.887 445 2HZ LYS 63 2HZ LYS 63 -13.249 3.967 -0.088 446 3HZ LYS 63 3HZ LYS 63 -14.015 2.834 0.829 447 H CYS 64 H CYS 64 -9.456 9.470 0.225 448 HA CYS 64 HA CYS 64 -8.313 11.455 1.978 449 1HB CYS 64 1HB CYS 64 -8.717 11.438 -1.022 450 2HB CYS 64 2HB CYS 64 -7.816 12.655 -0.127 451 H VAL 65 H VAL 65 -10.227 11.906 3.195 452 HA VAL 65 HA VAL 65 -11.597 14.301 2.095 453 HB VAL 65 HB VAL 65 -13.567 13.814 3.478 454 1HG1 VAL 65 1HG1 VAL 65 -13.543 13.358 1.038 455 2HG1 VAL 65 2HG1 VAL 65 -13.004 11.696 1.357 456 3HG1 VAL 65 3HG1 VAL 65 -14.597 12.237 1.919 457 1HG2 VAL 65 1HG2 VAL 65 -12.593 12.203 5.031 458 2HG2 VAL 65 2HG2 VAL 65 -14.023 11.525 4.241 459 3HG2 VAL 65 3HG2 VAL 65 -12.405 11.000 3.736 460 H SER 66 H SER 66 -12.048 15.843 4.169 461 HA SER 66 HA SER 66 -9.481 15.868 5.507 462 1HB SER 66 1HB SER 66 -10.892 17.919 4.974 463 2HB SER 66 2HB SER 66 -11.854 17.504 6.411 464 HG SER 66 HG SER 66 -9.084 18.115 6.184 465 H ALA 67 H ALA 67 -9.098 15.728 7.853 466 HA ALA 67 HA ALA 67 -10.164 13.316 8.937 467 1HB ALA 67 1HB ALA 67 -7.920 14.064 9.527 468 2HB ALA 67 2HB ALA 67 -8.588 15.488 10.361 469 3HB ALA 67 3HB ALA 67 -8.901 13.849 10.973 470 H GLU 68 H GLU 68 -11.368 16.529 8.952 471 HA GLU 68 HA GLU 68 -13.135 16.650 11.115 472 1HB GLU 68 1HB GLU 68 -13.647 17.442 8.212 473 2HB GLU 68 2HB GLU 68 -14.531 18.023 9.626 474 1HG GLU 68 1HG GLU 68 -12.488 19.094 10.507 475 2HG GLU 68 2HG GLU 68 -11.552 18.530 9.113 476 H ASP 69 H ASP 69 -13.366 14.775 8.056 477 HA ASP 69 HA ASP 69 -16.045 13.749 8.620 478 1HB ASP 69 1HB ASP 69 -15.160 13.847 6.311 479 2HB ASP 69 2HB ASP 69 -13.863 12.731 6.759 480 H CYS 70 H CYS 70 -12.744 12.373 8.649 481 HA CYS 70 HA CYS 70 -13.014 9.925 9.591 482 1HB CYS 70 1HB CYS 70 -10.818 11.159 9.198 483 2HB CYS 70 2HB CYS 70 -10.971 11.791 10.835 484 H GLU 71 H GLU 71 -12.801 12.699 11.884 485 HA GLU 71 HA GLU 71 -13.208 11.152 14.215 486 1HB GLU 71 1HB GLU 71 -13.763 13.260 15.344 487 2HB GLU 71 2HB GLU 71 -12.307 13.365 14.345 488 1HG GLU 71 1HG GLU 71 -13.627 14.503 12.568 489 2HG GLU 71 2HG GLU 71 -15.067 14.437 13.594 490 H LEU 72 H LEU 72 -15.645 12.443 11.968 491 HA LEU 72 HA LEU 72 -17.900 11.786 13.737 492 1HB LEU 72 1HB LEU 72 -17.844 12.406 10.758 493 2HB LEU 72 2HB LEU 72 -19.277 12.295 11.777 494 HG LEU 72 HG LEU 72 -17.053 14.359 12.128 495 1HD1 LEU 72 1HD1 LEU 72 -18.295 14.672 10.027 496 2HD1 LEU 72 2HD1 LEU 72 -19.833 14.636 10.918 497 3HD1 LEU 72 3HD1 LEU 72 -18.671 15.953 11.191 498 1HD2 LEU 72 1HD2 LEU 72 -19.782 14.082 13.464 499 2HD2 LEU 72 2HD2 LEU 72 -18.194 13.959 14.259 500 3HD2 LEU 72 3HD2 LEU 72 -18.724 15.503 13.588 501 H ASP 73 H ASP 73 -16.138 10.360 10.998 502 HA ASP 73 HA ASP 73 -17.796 7.948 10.930 503 1HB ASP 73 1HB ASP 73 -16.700 8.933 8.907 504 2HB ASP 73 2HB ASP 73 -15.117 8.595 9.624 505 H ASN 74 H ASN 74 -17.257 8.109 13.470 506 HA ASN 74 HA ASN 74 -15.516 5.883 14.071 507 1HB ASN 74 1HB ASN 74 -14.015 7.009 15.314 508 2HB ASN 74 2HB ASN 74 -14.654 8.539 14.714 509 1HD2 ASN 74 2HD2 ASN 74 -16.165 9.726 16.037 510 2HD2 ASN 74 1HD2 ASN 74 -16.297 9.360 17.765 511 H MET 75 H MET 75 -16.430 4.862 15.941 512 HA MET 75 HA MET 75 -19.349 5.186 16.028 513 1HB MET 75 1HB MET 75 -18.335 2.967 15.658 514 2HB MET 75 2HB MET 75 -17.471 3.077 17.188 515 1HG MET 75 1HG MET 75 -19.513 1.653 17.275 516 2HG MET 75 2HG MET 75 -19.531 2.956 18.451 517 1HE MET 75 1HE MET 75 -20.971 1.643 15.049 518 2HE MET 75 2HE MET 75 -22.150 2.911 14.641 519 3HE MET 75 3HE MET 75 -20.412 3.266 14.568 520 H ASP 76 H ASP 76 -18.740 7.355 16.957 521 HA ASP 76 HA ASP 76 -18.998 8.809 18.650 522 1HB ASP 76 1HB ASP 76 -20.638 7.231 19.571 523 2HB ASP 76 2HB ASP 76 -19.367 6.411 20.480 524 H PHE 77 H PHE 77 -17.189 6.082 20.050 525 HA PHE 77 HA PHE 77 -15.825 6.745 22.000 526 1HB PHE 77 1HB PHE 77 -14.325 5.731 19.566 527 2HB PHE 77 2HB PHE 77 -13.753 5.640 21.228 528 HD1 PHE 77 HD1 PHE 77 -15.409 4.485 22.957 529 HD2 PHE 77 HD2 PHE 77 -15.494 3.882 18.686 530 HE1 PHE 77 HE1 PHE 77 -16.569 2.317 23.281 531 HE2 PHE 77 HE2 PHE 77 -16.595 1.688 19.022 532 HZ PHE 77 HZ PHE 77 -17.154 0.909 21.315 533 H ILE 78 H ILE 78 -13.824 7.760 19.214 534 HA ILE 78 HA ILE 78 -12.074 9.169 19.106 535 HB ILE 78 HB ILE 78 -13.782 10.969 20.873 536 1HG1 ILE 78 1HG1 ILE 78 -14.856 10.466 18.753 537 2HG1 ILE 78 2HG1 ILE 78 -14.338 12.140 18.822 538 1HG2 ILE 78 1HG2 ILE 78 -11.215 11.565 19.364 539 2HG2 ILE 78 2HG2 ILE 78 -12.346 12.808 19.940 540 3HG2 ILE 78 3HG2 ILE 78 -11.533 11.755 21.098 541 1HD1 ILE 78 1HD1 ILE 78 -12.368 11.567 17.372 542 2HD1 ILE 78 2HD1 ILE 78 -12.984 9.899 17.247 543 3HD1 ILE 78 3HD1 ILE 78 -13.935 11.242 16.623 544 H TYR 79 H TYR 79 -13.030 9.320 22.573 545 HA TYR 79 HA TYR 79 -10.410 9.563 23.588 546 1HB TYR 79 1HB TYR 79 -12.838 8.179 24.808 547 2HB TYR 79 2HB TYR 79 -11.417 8.698 25.704 548 HD1 TYR 79 HD1 TYR 79 -10.810 11.214 25.679 549 HD2 TYR 79 HD2 TYR 79 -14.669 9.674 24.535 550 HE1 TYR 79 HE1 TYR 79 -11.789 13.490 25.896 551 HE2 TYR 79 HE2 TYR 79 -15.638 11.938 24.735 552 HH TYR 79 HH TYR 79 -15.233 14.155 25.219 553 HA PRO 80 HA PRO 80 -8.685 5.478 22.844 554 1HB PRO 80 1HB PRO 80 -7.076 5.132 25.025 555 2HB PRO 80 2HB PRO 80 -6.690 6.215 23.659 556 1HG PRO 80 1HG PRO 80 -7.962 6.963 26.303 557 2HG PRO 80 2HG PRO 80 -6.577 7.756 25.493 558 1HD PRO 80 1HD PRO 80 -9.072 8.747 25.272 559 2HD PRO 80 2HD PRO 80 -8.010 8.718 23.834 560 H GLY 81 H GLY 81 -9.593 3.503 23.192 561 1HA GLY 81 1HA GLY 81 -11.652 3.061 25.091 562 2HA GLY 81 2HA GLY 81 -10.883 1.848 24.061 563 H THR 82 H THR 82 -9.900 3.831 26.843 564 HA THR 82 HA THR 82 -8.508 3.417 28.597 565 HB THR 82 HB THR 82 -9.802 2.200 30.330 566 HG1 THR 82 HG1 THR 82 -11.578 1.647 28.177 567 1HG2 THR 82 1HG2 THR 82 -10.344 4.562 29.754 568 2HG2 THR 82 2HG2 THR 82 -11.516 4.008 28.544 569 3HG2 THR 82 3HG2 THR 82 -11.779 3.651 30.260 570 H ARG 83 H ARG 83 -9.723 0.157 28.654 571 HA ARG 83 HA ARG 83 -7.412 -1.181 29.423 572 1HB ARG 83 1HB ARG 83 -9.693 -2.049 29.444 573 2HB ARG 83 2HB ARG 83 -9.720 -2.184 27.692 574 1HG ARG 83 1HG ARG 83 -7.561 -3.614 29.288 575 2HG ARG 83 2HG ARG 83 -9.211 -4.235 29.336 576 1HD ARG 83 1HD ARG 83 -7.535 -3.946 26.816 577 2HD ARG 83 2HD ARG 83 -7.905 -5.415 27.679 578 HE ARG 83 HE ARG 83 -10.176 -5.342 27.097 579 1HH1 ARG 83 1HH1 ARG 83 -8.317 -2.864 25.419 580 2HH1 ARG 83 2HH1 ARG 83 -9.545 -2.439 24.291 581 1HH2 ARG 83 1HH2 ARG 83 -11.791 -4.939 25.548 582 2HH2 ARG 83 2HH2 ARG 83 -11.536 -3.751 24.298 583 H ASN 84 H ASN 84 -8.514 -0.509 26.072 584 HA ASN 84 HA ASN 84 -6.034 0.084 25.119 585 1HB ASN 84 1HB ASN 84 -6.241 -2.813 25.203 586 2HB ASN 84 2HB ASN 84 -6.382 -2.336 23.522 587 1HD2 ASN 84 2HD2 ASN 84 -4.422 -1.608 26.442 588 2HD2 ASN 84 1HD2 ASN 84 -2.886 -1.491 25.573 589 HA PRO 85 HA PRO 85 -8.982 1.451 22.048 590 1HB PRO 85 1HB PRO 85 -7.368 2.212 19.962 591 2HB PRO 85 2HB PRO 85 -7.462 3.123 21.497 592 1HG PRO 85 1HG PRO 85 -5.380 1.075 20.731 593 2HG PRO 85 2HG PRO 85 -5.122 2.713 21.392 594 1HD PRO 85 1HD PRO 85 -5.105 0.524 22.985 595 2HD PRO 85 2HD PRO 85 -5.855 2.042 23.558 Start of MODEL 15 1 1H LYS 1 1H LYS 1 -1.505 15.120 -15.682 2 2H LYS 1 2H LYS 1 -3.059 14.548 -15.712 3 3H LYS 1 3H LYS 1 -2.646 15.807 -14.723 4 HA LYS 1 HA LYS 1 -2.859 13.891 -13.415 5 1HB LYS 1 1HB LYS 1 -1.355 11.957 -13.792 6 2HB LYS 1 2HB LYS 1 -2.557 12.185 -15.066 7 1HG LYS 1 1HG LYS 1 -0.851 13.196 -16.541 8 2HG LYS 1 2HG LYS 1 0.357 13.070 -15.243 9 1HD LYS 1 1HD LYS 1 0.087 10.605 -15.237 10 2HD LYS 1 2HD LYS 1 -1.127 10.725 -16.519 11 1HE LYS 1 1HE LYS 1 1.048 10.079 -17.440 12 2HE LYS 1 2HE LYS 1 0.588 11.676 -18.052 13 1HZ LYS 1 1HZ LYS 1 2.388 11.219 -15.771 14 2HZ LYS 1 2HZ LYS 1 2.894 11.504 -17.319 15 3HZ LYS 1 3HZ LYS 1 2.060 12.660 -16.494 16 H ALA 2 H ALA 2 -1.557 13.638 -11.557 17 HA ALA 2 HA ALA 2 0.558 15.667 -11.226 18 1HB ALA 2 1HB ALA 2 -0.665 13.679 -9.277 19 2HB ALA 2 2HB ALA 2 0.502 14.957 -8.871 20 3HB ALA 2 3HB ALA 2 -1.110 15.390 -9.468 21 H THR 3 H THR 3 1.630 14.388 -13.034 22 HA THR 3 HA THR 3 3.357 13.239 -13.817 23 HB THR 3 HB THR 3 5.275 12.722 -12.476 24 HG1 THR 3 HG1 THR 3 3.597 13.176 -10.239 25 1HG2 THR 3 1HG2 THR 3 4.836 15.098 -13.056 26 2HG2 THR 3 2HG2 THR 3 4.013 15.322 -11.497 27 3HG2 THR 3 3HG2 THR 3 5.737 14.919 -11.539 28 H MET 4 H MET 4 3.241 11.252 -10.895 29 HA MET 4 HA MET 4 3.385 8.868 -12.536 30 1HB MET 4 1HB MET 4 3.178 9.165 -9.514 31 2HB MET 4 2HB MET 4 3.602 7.690 -10.402 32 1HG MET 4 1HG MET 4 5.558 8.924 -11.396 33 2HG MET 4 2HG MET 4 5.185 10.282 -10.323 34 1HE MET 4 1HE MET 4 7.561 10.372 -9.383 35 2HE MET 4 2HE MET 4 8.448 8.968 -8.756 36 3HE MET 4 3HE MET 4 8.034 9.052 -10.483 37 H GLN 5 H GLN 5 1.179 9.611 -13.494 38 HA GLN 5 HA GLN 5 -0.781 8.669 -14.175 39 1HB GLN 5 1HB GLN 5 -0.819 6.825 -11.780 40 2HB GLN 5 2HB GLN 5 -1.658 6.642 -13.295 41 1HG GLN 5 1HG GLN 5 0.111 5.736 -14.386 42 2HG GLN 5 2HG GLN 5 1.316 6.759 -13.622 43 1HE2 GLN 5 2HE2 GLN 5 1.170 6.325 -10.950 44 2HE2 GLN 5 1HE2 GLN 5 1.491 4.625 -10.626 45 H CYS 6 H CYS 6 -0.653 9.010 -10.656 46 HA CYS 6 HA CYS 6 -3.362 9.435 -10.087 47 1HB CYS 6 1HB CYS 6 -2.454 9.922 -7.885 48 2HB CYS 6 2HB CYS 6 -1.405 8.735 -8.644 49 H GLY 7 H GLY 7 -3.435 11.677 -8.411 50 1HA GLY 7 1HA GLY 7 -3.115 14.156 -8.807 51 2HA GLY 7 2HA GLY 7 -3.844 13.861 -10.401 52 H GLU 8 H GLU 8 -5.617 11.776 -9.560 53 HA GLU 8 HA GLU 8 -7.877 13.310 -8.621 54 1HB GLU 8 1HB GLU 8 -7.498 10.310 -9.014 55 2HB GLU 8 2HB GLU 8 -9.034 11.129 -8.706 56 1HG GLU 8 1HG GLU 8 -8.753 12.449 -10.801 57 2HG GLU 8 2HG GLU 8 -7.241 11.592 -11.141 58 H ASN 9 H ASN 9 -6.960 14.106 -6.635 59 HA ASN 9 HA ASN 9 -7.210 14.264 -4.374 60 1HB ASN 9 1HB ASN 9 -9.157 12.760 -4.485 61 2HB ASN 9 2HB ASN 9 -8.105 11.347 -4.291 62 1HD2 ASN 9 2HD2 ASN 9 -10.278 12.189 -2.534 63 2HD2 ASN 9 1HD2 ASN 9 -9.536 12.379 -0.960 64 H GLU 10 H GLU 10 -5.873 11.031 -5.189 65 HA GLU 10 HA GLU 10 -3.591 11.420 -3.392 66 1HB GLU 10 1HB GLU 10 -2.701 9.389 -4.629 67 2HB GLU 10 2HB GLU 10 -4.127 9.164 -3.619 68 1HG GLU 10 1HG GLU 10 -5.600 8.996 -5.479 69 2HG GLU 10 2HG GLU 10 -4.406 9.641 -6.611 70 H LYS 11 H LYS 11 -1.680 12.421 -3.987 71 HA LYS 11 HA LYS 11 -1.158 13.146 -6.810 72 1HB LYS 11 1HB LYS 11 -0.835 15.472 -6.230 73 2HB LYS 11 2HB LYS 11 -2.450 14.961 -5.743 74 1HG LYS 11 1HG LYS 11 -1.928 16.009 -3.801 75 2HG LYS 11 2HG LYS 11 -1.156 14.480 -3.400 76 1HD LYS 11 1HD LYS 11 0.953 15.630 -4.632 77 2HD LYS 11 2HD LYS 11 0.071 17.109 -4.260 78 1HE LYS 11 1HE LYS 11 1.109 14.980 -2.343 79 2HE LYS 11 2HE LYS 11 1.659 16.652 -2.485 80 1HZ LYS 11 1HZ LYS 11 -0.576 17.305 -1.747 81 2HZ LYS 11 2HZ LYS 11 -0.932 15.714 -1.481 82 3HZ LYS 11 3HZ LYS 11 0.250 16.445 -0.608 83 H TYR 12 H TYR 12 1.094 13.427 -7.228 84 HA TYR 12 HA TYR 12 2.751 11.624 -5.972 85 1HB TYR 12 1HB TYR 12 3.192 12.405 -8.171 86 2HB TYR 12 2HB TYR 12 3.480 14.058 -7.605 87 HD1 TYR 12 HD1 TYR 12 4.733 10.546 -7.409 88 HD2 TYR 12 HD2 TYR 12 5.637 14.695 -6.682 89 HE1 TYR 12 HE1 TYR 12 6.906 9.909 -6.451 90 HE2 TYR 12 HE2 TYR 12 7.781 14.045 -5.635 91 HH TYR 12 HH TYR 12 8.975 12.232 -4.709 92 H ASP 13 H ASP 13 4.141 11.538 -4.241 93 HA ASP 13 HA ASP 13 5.465 13.963 -3.360 94 1HB ASP 13 1HB ASP 13 3.476 14.061 -1.917 95 2HB ASP 13 2HB ASP 13 3.726 12.359 -1.462 96 H SER 14 H SER 14 7.354 13.467 -2.132 97 HA SER 14 HA SER 14 8.504 10.856 -2.770 98 1HB SER 14 1HB SER 14 9.667 13.192 -1.251 99 2HB SER 14 2HB SER 14 10.543 11.811 -1.937 100 HG SER 14 HG SER 14 10.512 13.701 -3.321 101 H CYS 15 H CYS 15 6.336 10.266 -1.145 102 HA CYS 15 HA CYS 15 7.690 8.900 0.937 103 1HB CYS 15 1HB CYS 15 7.564 11.193 2.032 104 2HB CYS 15 2HB CYS 15 5.819 10.975 2.098 105 H GLY 16 H GLY 16 6.421 7.359 -0.559 106 1HA GLY 16 1HA GLY 16 5.018 5.557 -0.309 107 2HA GLY 16 2HA GLY 16 4.533 6.183 1.279 108 H SER 17 H SER 17 2.390 5.403 0.724 109 HA SER 17 HA SER 17 0.860 7.067 -1.218 110 1HB SER 17 1HB SER 17 -0.714 5.101 -1.127 111 2HB SER 17 2HB SER 17 0.881 4.738 -1.810 112 HG SER 17 HG SER 17 0.432 3.136 -0.342 113 H LYS 18 H LYS 18 -0.385 5.054 1.313 114 HA LYS 18 HA LYS 18 -1.676 7.370 2.714 115 1HB LYS 18 1HB LYS 18 -2.788 5.600 4.037 116 2HB LYS 18 2HB LYS 18 -3.079 5.428 2.311 117 1HG LYS 18 1HG LYS 18 -1.423 3.580 2.180 118 2HG LYS 18 2HG LYS 18 -1.095 3.764 3.913 119 1HD LYS 18 1HD LYS 18 -3.520 3.257 4.372 120 2HD LYS 18 2HD LYS 18 -3.761 3.037 2.626 121 1HE LYS 18 1HE LYS 18 -3.513 0.867 3.663 122 2HE LYS 18 2HE LYS 18 -2.122 1.177 2.613 123 1HZ LYS 18 1HZ LYS 18 -2.172 1.520 5.535 124 2HZ LYS 18 2HZ LYS 18 -1.494 0.254 4.726 125 3HZ LYS 18 3HZ LYS 18 -0.866 1.766 4.559 126 H GLU 19 H GLU 19 0.534 8.101 2.837 127 HA GLU 19 HA GLU 19 2.313 7.199 4.877 128 1HB GLU 19 1HB GLU 19 2.755 9.772 5.035 129 2HB GLU 19 2HB GLU 19 3.269 8.841 3.655 130 1HG GLU 19 1HG GLU 19 2.341 11.044 3.043 131 2HG GLU 19 2HG GLU 19 1.597 9.680 2.241 132 H CYS 20 H CYS 20 1.890 6.912 6.989 133 HA CYS 20 HA CYS 20 -0.560 7.697 8.184 134 1HB CYS 20 1HB CYS 20 0.805 5.820 8.917 135 2HB CYS 20 2HB CYS 20 2.027 6.934 9.563 136 H ASP 21 H ASP 21 2.193 9.553 7.496 137 HA ASP 21 HA ASP 21 2.475 11.686 9.090 138 1HB ASP 21 1HB ASP 21 1.889 11.485 6.113 139 2HB ASP 21 2HB ASP 21 2.363 13.014 6.878 140 H LYS 22 H LYS 22 -0.082 11.852 6.541 141 HA LYS 22 HA LYS 22 -1.714 13.605 8.270 142 1HB LYS 22 1HB LYS 22 -2.102 12.641 5.420 143 2HB LYS 22 2HB LYS 22 -3.098 13.839 6.270 144 1HG LYS 22 1HG LYS 22 -0.966 15.194 6.651 145 2HG LYS 22 2HG LYS 22 -0.172 14.132 5.484 146 1HD LYS 22 1HD LYS 22 -2.642 15.880 5.008 147 2HD LYS 22 2HD LYS 22 -1.008 16.207 4.417 148 1HE LYS 22 1HE LYS 22 -2.763 13.836 3.621 149 2HE LYS 22 2HE LYS 22 -2.482 15.271 2.658 150 1HZ LYS 22 1HZ LYS 22 -0.133 14.723 2.647 151 2HZ LYS 22 2HZ LYS 22 -0.461 13.288 3.402 152 3HZ LYS 22 3HZ LYS 22 -1.084 13.611 1.899 153 H LYS 23 H LYS 23 -1.614 11.443 9.689 154 HA LYS 23 HA LYS 23 -3.666 9.511 9.083 155 1HB LYS 23 1HB LYS 23 -3.557 8.906 11.493 156 2HB LYS 23 2HB LYS 23 -2.082 8.775 10.564 157 1HG LYS 23 1HG LYS 23 -1.538 9.544 12.705 158 2HG LYS 23 2HG LYS 23 -1.234 10.889 11.606 159 1HD LYS 23 1HD LYS 23 -3.323 11.972 12.338 160 2HD LYS 23 2HD LYS 23 -3.725 10.574 13.362 161 1HE LYS 23 1HE LYS 23 -1.228 12.312 13.672 162 2HE LYS 23 2HE LYS 23 -2.737 12.570 14.557 163 1HZ LYS 23 1HZ LYS 23 -1.121 10.136 14.710 164 2HZ LYS 23 2HZ LYS 23 -1.184 11.350 15.825 165 3HZ LYS 23 3HZ LYS 23 -2.526 10.434 15.531 166 H CYS 24 H CYS 24 -5.639 9.168 10.239 167 HA CYS 24 HA CYS 24 -7.294 11.529 10.491 168 1HB CYS 24 1HB CYS 24 -8.329 9.557 9.777 169 2HB CYS 24 2HB CYS 24 -7.740 8.594 11.140 170 H LYS 25 H LYS 25 -6.235 12.834 11.992 171 HA LYS 25 HA LYS 25 -5.729 12.003 14.705 172 1HB LYS 25 1HB LYS 25 -5.663 14.439 15.221 173 2HB LYS 25 2HB LYS 25 -4.575 13.896 13.959 174 1HG LYS 25 1HG LYS 25 -5.441 16.016 13.376 175 2HG LYS 25 2HG LYS 25 -5.989 14.835 12.201 176 1HD LYS 25 1HD LYS 25 -7.706 16.449 12.672 177 2HD LYS 25 2HD LYS 25 -8.268 14.889 13.258 178 1HE LYS 25 1HE LYS 25 -7.639 15.577 15.597 179 2HE LYS 25 2HE LYS 25 -6.984 17.096 14.957 180 1HZ LYS 25 1HZ LYS 25 -9.202 17.605 14.169 181 2HZ LYS 25 2HZ LYS 25 -9.785 16.231 14.880 182 3HZ LYS 25 3HZ LYS 25 -9.140 17.427 15.805 183 H TYR 26 H TYR 26 -6.881 12.893 16.622 184 HA TYR 26 HA TYR 26 -9.796 13.091 16.243 185 1HB TYR 26 1HB TYR 26 -8.368 11.015 17.929 186 2HB TYR 26 2HB TYR 26 -10.028 11.520 18.216 187 HD1 TYR 26 HD1 TYR 26 -11.582 11.540 16.001 188 HD2 TYR 26 HD2 TYR 26 -8.085 9.080 16.564 189 HE1 TYR 26 HE1 TYR 26 -12.368 10.007 14.227 190 HE2 TYR 26 HE2 TYR 26 -8.985 7.449 14.927 191 HH TYR 26 HH TYR 26 -12.150 7.883 13.296 192 H ASP 27 H ASP 27 -10.530 14.661 17.304 193 HA ASP 27 HA ASP 27 -9.284 15.678 19.812 194 1HB ASP 27 1HB ASP 27 -9.153 17.317 17.956 195 2HB ASP 27 2HB ASP 27 -10.897 17.151 17.673 196 H GLY 28 H GLY 28 -11.015 16.622 21.235 197 1HA GLY 28 1HA GLY 28 -13.186 16.538 22.190 198 2HA GLY 28 2HA GLY 28 -13.618 15.112 21.228 199 H VAL 29 H VAL 29 -11.598 13.494 21.389 200 HA VAL 29 HA VAL 29 -10.580 13.161 24.122 201 HB VAL 29 HB VAL 29 -11.689 10.875 22.422 202 1HG1 VAL 29 1HG1 VAL 29 -10.592 10.946 25.265 203 2HG1 VAL 29 2HG1 VAL 29 -11.406 9.552 24.523 204 3HG1 VAL 29 3HG1 VAL 29 -9.877 10.113 23.865 205 1HG2 VAL 29 1HG2 VAL 29 -12.891 12.225 24.880 206 2HG2 VAL 29 2HG2 VAL 29 -13.600 12.129 23.252 207 3HG2 VAL 29 3HG2 VAL 29 -13.439 10.668 24.222 208 H GLU 30 H GLU 30 -8.562 11.811 23.892 209 HA GLU 30 HA GLU 30 -6.604 11.212 22.989 210 1HB GLU 30 1HB GLU 30 -7.649 11.711 20.179 211 2HB GLU 30 2HB GLU 30 -6.243 10.781 20.670 212 1HG GLU 30 1HG GLU 30 -9.165 10.052 21.180 213 2HG GLU 30 2HG GLU 30 -8.070 9.312 20.016 214 H GLU 31 H GLU 31 -7.917 13.925 21.036 215 HA GLU 31 HA GLU 31 -7.058 15.970 20.484 216 1HB GLU 31 1HB GLU 31 -5.657 15.670 23.179 217 2HB GLU 31 2HB GLU 31 -5.507 17.100 22.168 218 1HG GLU 31 1HG GLU 31 -7.193 17.404 23.918 219 2HG GLU 31 2HG GLU 31 -7.843 17.595 22.287 220 H GLU 32 H GLU 32 -5.916 13.630 19.382 221 HA GLU 32 HA GLU 32 -2.980 13.901 19.549 222 1HB GLU 32 1HB GLU 32 -2.901 11.914 18.138 223 2HB GLU 32 2HB GLU 32 -3.880 11.682 19.591 224 1HG GLU 32 1HG GLU 32 -5.954 11.910 18.278 225 2HG GLU 32 2HG GLU 32 -4.997 12.270 16.826 226 H ASP 33 H ASP 33 -3.873 16.260 18.615 227 HA ASP 33 HA ASP 33 -4.057 16.251 15.688 228 1HB ASP 33 1HB ASP 33 -5.452 17.735 17.118 229 2HB ASP 33 2HB ASP 33 -3.985 18.581 17.641 230 H ASP 34 H ASP 34 -1.700 15.111 16.237 231 HA ASP 34 HA ASP 34 0.458 17.137 15.987 232 1HB ASP 34 1HB ASP 34 1.990 15.307 16.044 233 2HB ASP 34 2HB ASP 34 0.836 15.123 17.370 234 H GLU 35 H GLU 35 -1.329 14.768 14.069 235 HA GLU 35 HA GLU 35 -1.345 14.194 11.882 236 1HB GLU 35 1HB GLU 35 -0.906 17.178 11.485 237 2HB GLU 35 2HB GLU 35 -1.611 16.039 10.330 238 1HG GLU 35 1HG GLU 35 -3.429 15.546 12.005 239 2HG GLU 35 2HG GLU 35 -2.799 16.860 13.020 240 H GLU 36 H GLU 36 1.421 14.039 13.113 241 HA GLU 36 HA GLU 36 2.709 13.387 10.661 242 1HB GLU 36 1HB GLU 36 3.139 15.860 10.790 243 2HB GLU 36 2HB GLU 36 3.824 15.638 12.403 244 1HG GLU 36 1HG GLU 36 5.560 15.849 10.720 245 2HG GLU 36 2HG GLU 36 5.594 14.237 11.440 246 HA PRO 37 HA PRO 37 4.182 10.956 14.328 247 1HB PRO 37 1HB PRO 37 3.193 8.488 13.701 248 2HB PRO 37 2HB PRO 37 2.306 9.706 14.649 249 1HG PRO 37 1HG PRO 37 1.905 9.025 11.736 250 2HG PRO 37 2HG PRO 37 0.710 9.405 12.982 251 1HD PRO 37 1HD PRO 37 1.695 11.226 11.116 252 2HD PRO 37 2HD PRO 37 0.986 11.682 12.680 253 H ASN 38 H ASN 38 3.736 9.140 11.276 254 HA ASN 38 HA ASN 38 5.061 8.288 9.726 255 1HB ASN 38 1HB ASN 38 5.664 10.623 9.335 256 2HB ASN 38 2HB ASN 38 7.022 10.491 10.459 257 1HD2 ASN 38 2HD2 ASN 38 5.867 9.733 7.231 258 2HD2 ASN 38 1HD2 ASN 38 7.372 9.024 6.664 259 H VAL 39 H VAL 39 7.288 9.059 12.441 260 HA VAL 39 HA VAL 39 8.969 6.792 11.846 261 HB VAL 39 HB VAL 39 8.964 8.721 14.184 262 1HG1 VAL 39 1HG1 VAL 39 10.958 6.534 13.431 263 2HG1 VAL 39 2HG1 VAL 39 11.229 7.803 14.641 264 3HG1 VAL 39 3HG1 VAL 39 9.980 6.582 14.914 265 1HG2 VAL 39 1HG2 VAL 39 10.715 8.448 11.714 266 2HG2 VAL 39 2HG2 VAL 39 9.514 9.722 12.008 267 3HG2 VAL 39 3HG2 VAL 39 10.945 9.605 13.039 268 HA PRO 40 HA PRO 40 7.093 4.548 15.590 269 1HB PRO 40 1HB PRO 40 4.870 5.499 16.899 270 2HB PRO 40 2HB PRO 40 6.546 5.920 17.352 271 1HG PRO 40 1HG PRO 40 4.658 7.524 15.610 272 2HG PRO 40 2HG PRO 40 5.625 8.098 16.996 273 1HD PRO 40 1HD PRO 40 6.527 8.446 14.487 274 2HD PRO 40 2HD PRO 40 7.645 7.928 15.782 275 H CYS 41 H CYS 41 4.566 6.424 13.830 276 HA CYS 41 HA CYS 41 3.009 3.986 13.249 277 1HB CYS 41 1HB CYS 41 1.965 6.292 13.595 278 2HB CYS 41 2HB CYS 41 2.678 6.735 12.039 279 H LEU 42 H LEU 42 5.091 3.119 12.541 280 HA LEU 42 HA LEU 42 6.618 4.026 10.471 281 1HB LEU 42 1HB LEU 42 7.614 1.686 10.478 282 2HB LEU 42 2HB LEU 42 7.638 2.656 11.934 283 HG LEU 42 HG LEU 42 5.850 1.380 12.961 284 1HD1 LEU 42 1HD1 LEU 42 5.820 -0.342 10.452 285 2HD1 LEU 42 2HD1 LEU 42 4.951 -0.661 11.965 286 3HD1 LEU 42 3HD1 LEU 42 4.508 0.742 10.987 287 1HD2 LEU 42 1HD2 LEU 42 8.169 0.660 13.217 288 2HD2 LEU 42 2HD2 LEU 42 7.053 -0.716 13.247 289 3HD2 LEU 42 3HD2 LEU 42 8.015 -0.388 11.789 290 H VAL 43 H VAL 43 4.748 4.583 8.873 291 HA VAL 43 HA VAL 43 4.421 2.410 6.870 292 HB VAL 43 HB VAL 43 3.935 5.378 6.411 293 1HG1 VAL 43 1HG1 VAL 43 3.007 2.896 4.925 294 2HG1 VAL 43 2HG1 VAL 43 2.446 4.549 4.619 295 3HG1 VAL 43 3HG1 VAL 43 4.135 4.139 4.342 296 1HG2 VAL 43 1HG2 VAL 43 2.029 3.141 7.291 297 2HG2 VAL 43 2HG2 VAL 43 2.515 4.524 8.288 298 3HG2 VAL 43 3HG2 VAL 43 1.533 4.777 6.829 299 H ARG 44 H ARG 44 6.751 1.993 7.264 300 HA ARG 44 HA ARG 44 8.733 3.866 6.662 301 1HB ARG 44 1HB ARG 44 8.755 1.567 7.995 302 2HB ARG 44 2HB ARG 44 9.235 0.898 6.437 303 1HG ARG 44 1HG ARG 44 11.214 1.277 7.632 304 2HG ARG 44 2HG ARG 44 11.180 2.594 6.459 305 1HD ARG 44 1HD ARG 44 10.183 2.866 9.345 306 2HD ARG 44 2HD ARG 44 11.861 3.111 8.893 307 HE ARG 44 HE ARG 44 11.237 4.896 7.382 308 1HH1 ARG 44 1HH1 ARG 44 8.918 4.216 10.015 309 2HH1 ARG 44 2HH1 ARG 44 8.163 5.780 9.898 310 1HH2 ARG 44 1HH2 ARG 44 10.372 6.949 7.381 311 2HH2 ARG 44 2HH2 ARG 44 9.127 7.416 8.505 312 H VAL 45 H VAL 45 6.836 2.111 4.493 313 HA VAL 45 HA VAL 45 8.548 2.201 2.158 314 HB VAL 45 HB VAL 45 6.413 1.765 0.965 315 1HG1 VAL 45 1HG1 VAL 45 7.779 -0.076 1.874 316 2HG1 VAL 45 2HG1 VAL 45 6.846 -0.031 3.385 317 3HG1 VAL 45 3HG1 VAL 45 6.052 -0.467 1.860 318 1HG2 VAL 45 1HG2 VAL 45 4.814 2.992 2.448 319 2HG2 VAL 45 2HG2 VAL 45 4.346 1.314 2.178 320 3HG2 VAL 45 3HG2 VAL 45 5.070 1.788 3.719 321 H CYS 46 H CYS 46 9.005 4.587 3.260 322 HA CYS 46 HA CYS 46 7.218 6.704 2.330 323 1HB CYS 46 1HB CYS 46 8.555 6.763 4.440 324 2HB CYS 46 2HB CYS 46 10.025 6.780 3.444 325 H HIS 47 H HIS 47 7.551 5.402 0.133 326 HA HIS 47 HA HIS 47 9.956 6.397 -1.335 327 1HB HIS 47 1HB HIS 47 9.555 4.519 -2.851 328 2HB HIS 47 2HB HIS 47 9.906 4.032 -1.193 329 HD1 HIS 47 HD1 HIS 47 6.355 4.918 -2.478 330 HD2 HIS 47 HD2 HIS 47 8.737 1.673 -1.254 331 HE1 HIS 47 HE1 HIS 47 4.833 2.878 -2.426 332 H GLN 48 H GLN 48 9.709 7.650 -2.964 333 HA GLN 48 HA GLN 48 7.921 9.268 -4.015 334 1HB GLN 48 1HB GLN 48 8.829 8.782 -6.290 335 2HB GLN 48 2HB GLN 48 10.046 8.982 -5.043 336 1HG GLN 48 1HG GLN 48 10.915 6.955 -5.436 337 2HG GLN 48 2HG GLN 48 9.366 6.141 -5.231 338 1HE2 GLN 48 2HE2 GLN 48 7.818 6.325 -7.126 339 2HE2 GLN 48 1HE2 GLN 48 8.528 6.171 -8.735 340 H ASP 49 H ASP 49 5.685 9.023 -3.903 341 HA ASP 49 HA ASP 49 4.367 7.482 -5.917 342 1HB ASP 49 1HB ASP 49 5.006 5.598 -4.408 343 2HB ASP 49 2HB ASP 49 4.250 6.425 -3.054 344 H CYS 50 H CYS 50 1.805 7.597 -5.264 345 HA CYS 50 HA CYS 50 1.527 10.450 -4.668 346 1HB CYS 50 1HB CYS 50 -0.490 8.554 -5.856 347 2HB CYS 50 2HB CYS 50 -0.596 10.311 -5.711 348 H VAL 51 H VAL 51 0.727 11.339 -2.951 349 HA VAL 51 HA VAL 51 -0.515 9.645 -0.838 350 HB VAL 51 HB VAL 51 0.426 11.180 0.764 351 1HG1 VAL 51 1HG1 VAL 51 1.933 9.402 -0.001 352 2HG1 VAL 51 2HG1 VAL 51 2.578 10.432 -1.280 353 3HG1 VAL 51 3HG1 VAL 51 2.852 10.851 0.420 354 1HG2 VAL 51 1HG2 VAL 51 1.436 12.810 -1.588 355 2HG2 VAL 51 2HG2 VAL 51 0.245 13.320 -0.378 356 3HG2 VAL 51 3HG2 VAL 51 1.917 13.061 0.106 357 H CYS 52 H CYS 52 -2.101 10.817 0.536 358 HA CYS 52 HA CYS 52 -4.200 11.972 -0.922 359 1HB CYS 52 1HB CYS 52 -3.473 12.442 2.002 360 2HB CYS 52 2HB CYS 52 -5.052 12.706 1.268 361 H GLU 53 H GLU 53 -4.680 14.071 -1.642 362 HA GLU 53 HA GLU 53 -2.888 16.210 -1.546 363 1HB GLU 53 1HB GLU 53 -5.243 15.895 -2.757 364 2HB GLU 53 2HB GLU 53 -5.837 16.798 -1.357 365 1HG GLU 53 1HG GLU 53 -3.702 17.710 -3.331 366 2HG GLU 53 2HG GLU 53 -5.386 18.239 -3.294 367 H GLU 54 H GLU 54 -2.628 18.013 -0.113 368 HA GLU 54 HA GLU 54 -2.557 17.495 2.615 369 1HB GLU 54 1HB GLU 54 -2.720 20.228 1.290 370 2HB GLU 54 2HB GLU 54 -2.072 19.853 2.894 371 1HG GLU 54 1HG GLU 54 -0.892 19.017 0.203 372 2HG GLU 54 2HG GLU 54 -0.219 20.140 1.378 373 H GLY 55 H GLY 55 -5.276 18.943 0.813 374 1HA GLY 55 1HA GLY 55 -6.762 19.816 3.102 375 2HA GLY 55 2HA GLY 55 -7.398 19.451 1.493 376 H PHE 56 H PHE 56 -5.922 16.611 2.279 377 HA PHE 56 HA PHE 56 -8.316 15.446 3.592 378 1HB PHE 56 1HB PHE 56 -6.656 14.312 1.337 379 2HB PHE 56 2HB PHE 56 -8.076 13.576 2.066 380 HD1 PHE 56 HD1 PHE 56 -10.135 15.592 2.124 381 HD2 PHE 56 HD2 PHE 56 -7.085 14.972 -0.846 382 HE1 PHE 56 HE1 PHE 56 -11.536 16.750 0.456 383 HE2 PHE 56 HE2 PHE 56 -8.493 16.126 -2.531 384 HZ PHE 56 HZ PHE 56 -10.726 17.018 -1.884 385 H TYR 57 H TYR 57 -7.918 13.437 4.666 386 HA TYR 57 HA TYR 57 -5.134 12.912 5.558 387 1HB TYR 57 1HB TYR 57 -7.714 13.015 7.188 388 2HB TYR 57 2HB TYR 57 -6.172 12.404 7.777 389 HD1 TYR 57 HD1 TYR 57 -7.988 15.479 6.698 390 HD2 TYR 57 HD2 TYR 57 -4.367 13.898 8.410 391 HE1 TYR 57 HE1 TYR 57 -7.176 17.786 7.127 392 HE2 TYR 57 HE2 TYR 57 -3.521 16.186 8.737 393 HH TYR 57 HH TYR 57 -4.140 18.438 8.873 394 H ARG 58 H ARG 58 -4.736 10.702 5.968 395 HA ARG 58 HA ARG 58 -6.377 8.927 4.304 396 1HB ARG 58 1HB ARG 58 -4.782 7.236 4.684 397 2HB ARG 58 2HB ARG 58 -3.950 8.738 4.310 398 1HG ARG 58 1HG ARG 58 -2.619 8.276 6.056 399 2HG ARG 58 2HG ARG 58 -3.957 8.801 7.067 400 1HD ARG 58 1HD ARG 58 -4.761 6.287 6.925 401 2HD ARG 58 2HD ARG 58 -3.187 5.978 6.228 402 HE ARG 58 HE ARG 58 -2.118 6.341 8.222 403 1HH1 ARG 58 1HH1 ARG 58 -5.542 7.167 8.634 404 2HH1 ARG 58 2HH1 ARG 58 -5.584 6.706 10.320 405 1HH2 ARG 58 1HH2 ARG 58 -2.089 6.062 10.464 406 2HH2 ARG 58 2HH2 ARG 58 -3.559 6.168 11.398 407 H ASN 59 H ASN 59 -8.406 9.034 5.274 408 HA ASN 59 HA ASN 59 -9.028 8.748 7.969 409 1HB ASN 59 1HB ASN 59 -10.697 9.276 6.339 410 2HB ASN 59 2HB ASN 59 -10.543 7.675 5.590 411 1HD2 ASN 59 2HD2 ASN 59 -12.507 6.691 5.979 412 2HD2 ASN 59 1HD2 ASN 59 -13.165 6.510 7.603 413 H LYS 60 H LYS 60 -8.268 6.223 5.629 414 HA LYS 60 HA LYS 60 -7.001 4.631 7.545 415 1HB LYS 60 1HB LYS 60 -8.534 2.529 7.294 416 2HB LYS 60 2HB LYS 60 -8.814 3.768 8.497 417 1HG LYS 60 1HG LYS 60 -10.589 4.798 6.965 418 2HG LYS 60 2HG LYS 60 -10.396 3.404 5.917 419 1HD LYS 60 1HD LYS 60 -12.306 3.183 7.425 420 2HD LYS 60 2HD LYS 60 -11.117 1.913 7.730 421 1HE LYS 60 1HE LYS 60 -12.171 2.948 9.785 422 2HE LYS 60 2HE LYS 60 -10.410 2.950 9.794 423 1HZ LYS 60 1HZ LYS 60 -12.121 5.241 9.093 424 2HZ LYS 60 2HZ LYS 60 -11.316 5.028 10.510 425 3HZ LYS 60 3HZ LYS 60 -10.467 5.255 9.123 426 H ASP 61 H ASP 61 -8.679 2.862 5.040 427 HA ASP 61 HA ASP 61 -6.127 2.131 3.909 428 1HB ASP 61 1HB ASP 61 -7.933 0.509 4.117 429 2HB ASP 61 2HB ASP 61 -8.976 1.479 3.063 430 H ASP 62 H ASP 62 -5.557 4.388 3.399 431 HA ASP 62 HA ASP 62 -5.319 6.238 2.161 432 1HB ASP 62 1HB ASP 62 -4.331 4.451 0.595 433 2HB ASP 62 2HB ASP 62 -5.853 4.521 -0.296 434 H LYS 63 H LYS 63 -7.918 5.690 3.166 435 HA LYS 63 HA LYS 63 -9.849 6.765 1.221 436 1HB LYS 63 1HB LYS 63 -10.000 6.146 4.189 437 2HB LYS 63 2HB LYS 63 -11.372 6.718 3.217 438 1HG LYS 63 1HG LYS 63 -9.797 4.144 2.747 439 2HG LYS 63 2HG LYS 63 -11.306 4.244 3.648 440 1HD LYS 63 1HD LYS 63 -12.559 4.905 1.711 441 2HD LYS 63 2HD LYS 63 -11.108 5.075 0.712 442 1HE LYS 63 1HE LYS 63 -11.886 2.432 2.003 443 2HE LYS 63 2HE LYS 63 -12.417 2.923 0.387 444 1HZ LYS 63 1HZ LYS 63 -9.587 2.744 1.168 445 2HZ LYS 63 2HZ LYS 63 -10.423 1.575 0.361 446 3HZ LYS 63 3HZ LYS 63 -10.193 3.054 -0.322 447 H CYS 64 H CYS 64 -8.388 8.446 0.694 448 HA CYS 64 HA CYS 64 -7.522 10.477 2.464 449 1HB CYS 64 1HB CYS 64 -7.984 10.484 -0.528 450 2HB CYS 64 2HB CYS 64 -7.124 11.742 0.377 451 H VAL 65 H VAL 65 -9.276 11.299 3.759 452 HA VAL 65 HA VAL 65 -11.025 13.213 2.316 453 HB VAL 65 HB VAL 65 -12.977 12.576 3.681 454 1HG1 VAL 65 1HG1 VAL 65 -12.760 11.830 1.331 455 2HG1 VAL 65 2HG1 VAL 65 -12.027 10.311 1.890 456 3HG1 VAL 65 3HG1 VAL 65 -13.698 10.704 2.328 457 1HG2 VAL 65 1HG2 VAL 65 -11.730 11.282 5.467 458 2HG2 VAL 65 2HG2 VAL 65 -13.126 10.422 4.789 459 3HG2 VAL 65 3HG2 VAL 65 -11.493 9.989 4.274 460 H SER 66 H SER 66 -11.914 14.901 3.761 461 HA SER 66 HA SER 66 -9.730 15.944 5.189 462 1HB SER 66 1HB SER 66 -12.613 16.893 5.130 463 2HB SER 66 2HB SER 66 -11.191 17.862 5.565 464 HG SER 66 HG SER 66 -10.383 17.554 3.477 465 H ALA 67 H ALA 67 -9.709 16.854 7.328 466 HA ALA 67 HA ALA 67 -9.771 15.074 9.397 467 1HB ALA 67 1HB ALA 67 -10.190 18.084 9.547 468 2HB ALA 67 2HB ALA 67 -9.695 17.033 10.891 469 3HB ALA 67 3HB ALA 67 -8.631 17.232 9.486 470 H GLU 68 H GLU 68 -12.384 17.200 8.340 471 HA GLU 68 HA GLU 68 -14.285 16.809 10.376 472 1HB GLU 68 1HB GLU 68 -14.841 17.135 7.387 473 2HB GLU 68 2HB GLU 68 -15.903 17.546 8.740 474 1HG GLU 68 1HG GLU 68 -14.183 19.239 9.496 475 2HG GLU 68 2HG GLU 68 -13.246 18.904 8.028 476 H ASP 69 H ASP 69 -13.754 14.956 7.343 477 HA ASP 69 HA ASP 69 -15.945 13.121 7.722 478 1HB ASP 69 1HB ASP 69 -13.411 12.813 6.070 479 2HB ASP 69 2HB ASP 69 -14.900 11.872 5.905 480 H CYS 70 H CYS 70 -12.438 13.012 8.258 481 HA CYS 70 HA CYS 70 -12.134 10.449 9.404 482 1HB CYS 70 1HB CYS 70 -10.117 11.476 9.066 483 2HB CYS 70 2HB CYS 70 -10.731 13.063 9.504 484 H GLU 71 H GLU 71 -12.890 13.522 11.143 485 HA GLU 71 HA GLU 71 -13.233 12.331 13.695 486 1HB GLU 71 1HB GLU 71 -14.245 14.887 12.400 487 2HB GLU 71 2HB GLU 71 -14.631 14.505 14.067 488 1HG GLU 71 1HG GLU 71 -11.751 14.540 13.070 489 2HG GLU 71 2HG GLU 71 -12.583 15.994 13.631 490 H LEU 72 H LEU 72 -15.639 13.034 11.122 491 HA LEU 72 HA LEU 72 -17.894 12.013 12.551 492 1HB LEU 72 1HB LEU 72 -17.311 12.157 9.577 493 2HB LEU 72 2HB LEU 72 -18.871 11.668 10.240 494 HG LEU 72 HG LEU 72 -17.603 14.352 10.942 495 1HD1 LEU 72 1HD1 LEU 72 -19.549 13.711 8.685 496 2HD1 LEU 72 2HD1 LEU 72 -19.066 15.339 9.211 497 3HD1 LEU 72 3HD1 LEU 72 -17.866 14.252 8.499 498 1HD2 LEU 72 1HD2 LEU 72 -20.486 13.380 11.030 499 2HD2 LEU 72 2HD2 LEU 72 -19.433 13.602 12.447 500 3HD2 LEU 72 3HD2 LEU 72 -19.908 14.995 11.474 501 H ASP 73 H ASP 73 -15.374 10.332 10.638 502 HA ASP 73 HA ASP 73 -16.564 7.713 11.139 503 1HB ASP 73 1HB ASP 73 -15.078 8.228 9.185 504 2HB ASP 73 2HB ASP 73 -13.710 8.323 10.302 505 H ASN 74 H ASN 74 -16.909 8.467 13.359 506 HA ASN 74 HA ASN 74 -15.698 6.941 15.299 507 1HB ASN 74 1HB ASN 74 -13.647 8.153 15.331 508 2HB ASN 74 2HB ASN 74 -14.468 9.716 15.173 509 1HD2 ASN 74 2HD2 ASN 74 -13.532 7.155 17.433 510 2HD2 ASN 74 1HD2 ASN 74 -13.953 8.080 18.866 511 H MET 75 H MET 75 -16.742 10.348 14.899 512 HA MET 75 HA MET 75 -18.655 11.407 15.315 513 1HB MET 75 1HB MET 75 -19.714 9.256 14.459 514 2HB MET 75 2HB MET 75 -19.969 8.795 16.143 515 1HG MET 75 1HG MET 75 -21.990 9.779 15.368 516 2HG MET 75 2HG MET 75 -21.260 10.900 16.508 517 1HE MET 75 1HE MET 75 -22.185 10.105 12.836 518 2HE MET 75 2HE MET 75 -21.603 11.524 11.944 519 3HE MET 75 3HE MET 75 -20.438 10.356 12.596 520 H ASP 76 H ASP 76 -18.109 8.954 17.830 521 HA ASP 76 HA ASP 76 -19.466 10.113 19.944 522 1HB ASP 76 1HB ASP 76 -18.585 7.808 19.886 523 2HB ASP 76 2HB ASP 76 -16.929 8.427 19.997 524 H PHE 77 H PHE 77 -16.054 10.646 18.989 525 HA PHE 77 HA PHE 77 -15.496 12.358 21.295 526 1HB PHE 77 1HB PHE 77 -13.851 11.873 18.788 527 2HB PHE 77 2HB PHE 77 -13.297 12.542 20.332 528 HD1 PHE 77 HD1 PHE 77 -15.025 10.187 21.870 529 HD2 PHE 77 HD2 PHE 77 -11.864 10.415 18.942 530 HE1 PHE 77 HE1 PHE 77 -14.179 7.999 22.611 531 HE2 PHE 77 HE2 PHE 77 -10.950 8.267 19.772 532 HZ PHE 77 HZ PHE 77 -12.113 7.044 21.599 533 H ILE 78 H ILE 78 -13.914 13.994 18.912 534 HA ILE 78 HA ILE 78 -14.201 15.804 17.706 535 HB ILE 78 HB ILE 78 -17.234 15.649 17.808 536 1HG1 ILE 78 1HG1 ILE 78 -15.350 14.011 16.091 537 2HG1 ILE 78 2HG1 ILE 78 -16.657 13.434 17.115 538 1HG2 ILE 78 1HG2 ILE 78 -16.055 17.695 16.932 539 2HG2 ILE 78 2HG2 ILE 78 -15.319 16.672 15.684 540 3HG2 ILE 78 3HG2 ILE 78 -17.083 16.894 15.753 541 1HD1 ILE 78 1HD1 ILE 78 -18.318 14.577 15.655 542 2HD1 ILE 78 2HD1 ILE 78 -17.001 14.984 14.527 543 3HD1 ILE 78 3HD1 ILE 78 -17.393 13.297 14.851 544 H TYR 79 H TYR 79 -16.941 15.866 20.010 545 HA TYR 79 HA TYR 79 -16.780 18.665 20.466 546 1HB TYR 79 1HB TYR 79 -18.060 16.853 22.486 547 2HB TYR 79 2HB TYR 79 -18.600 18.405 21.868 548 HD1 TYR 79 HD1 TYR 79 -19.147 18.339 19.183 549 HD2 TYR 79 HD2 TYR 79 -19.142 14.911 21.804 550 HE1 TYR 79 HE1 TYR 79 -20.067 16.926 17.362 551 HE2 TYR 79 HE2 TYR 79 -20.013 13.514 19.980 552 HH TYR 79 HH TYR 79 -20.029 13.424 17.630 553 HA PRO 80 HA PRO 80 -12.970 18.620 22.943 554 1HB PRO 80 1HB PRO 80 -14.485 20.936 24.170 555 2HB PRO 80 2HB PRO 80 -12.720 20.793 23.891 556 1HG PRO 80 1HG PRO 80 -14.219 22.096 22.062 557 2HG PRO 80 2HG PRO 80 -13.044 20.870 21.495 558 1HD PRO 80 1HD PRO 80 -16.032 20.590 21.799 559 2HD PRO 80 2HD PRO 80 -14.949 19.976 20.512 560 H GLY 81 H GLY 81 -12.664 17.051 24.568 561 1HA GLY 81 1HA GLY 81 -12.685 16.303 26.740 562 2HA GLY 81 2HA GLY 81 -13.975 17.432 27.171 563 H THR 82 H THR 82 -15.825 16.768 25.128 564 HA THR 82 HA THR 82 -17.396 15.364 24.422 565 HB THR 82 HB THR 82 -15.532 13.071 25.180 566 HG1 THR 82 HG1 THR 82 -15.436 15.025 23.280 567 1HG2 THR 82 1HG2 THR 82 -17.830 13.256 23.204 568 2HG2 THR 82 2HG2 THR 82 -16.726 11.877 23.407 569 3HG2 THR 82 3HG2 THR 82 -17.834 12.319 24.713 570 H ARG 83 H ARG 83 -16.095 14.002 27.487 571 HA ARG 83 HA ARG 83 -18.712 13.055 28.339 572 1HB ARG 83 1HB ARG 83 -16.078 13.319 29.841 573 2HB ARG 83 2HB ARG 83 -17.527 12.473 30.407 574 1HG ARG 83 1HG ARG 83 -17.395 10.952 28.429 575 2HG ARG 83 2HG ARG 83 -15.910 11.764 27.909 576 1HD ARG 83 1HD ARG 83 -15.313 9.720 29.115 577 2HD ARG 83 2HD ARG 83 -14.788 11.142 30.007 578 HE ARG 83 HE ARG 83 -16.180 10.621 31.735 579 1HH1 ARG 83 1HH1 ARG 83 -17.225 8.771 28.915 580 2HH1 ARG 83 2HH1 ARG 83 -18.374 7.800 29.794 581 1HH2 ARG 83 1HH2 ARG 83 -17.684 9.379 32.898 582 2HH2 ARG 83 2HH2 ARG 83 -18.642 8.160 32.105 583 H ASN 84 H ASN 84 -19.511 15.354 27.841 584 HA ASN 84 HA ASN 84 -20.372 17.354 28.508 585 1HB ASN 84 1HB ASN 84 -21.751 15.573 29.539 586 2HB ASN 84 2HB ASN 84 -20.881 15.789 31.061 587 1HD2 ASN 84 2HD2 ASN 84 -20.878 18.184 31.877 588 2HD2 ASN 84 1HD2 ASN 84 -22.403 19.051 31.689 589 HA PRO 85 HA PRO 85 -16.612 19.004 30.740 590 1HB PRO 85 1HB PRO 85 -17.485 21.206 28.852 591 2HB PRO 85 2HB PRO 85 -15.827 20.774 29.363 592 1HG PRO 85 1HG PRO 85 -16.748 19.955 26.954 593 2HG PRO 85 2HG PRO 85 -15.867 18.795 27.995 594 1HD PRO 85 1HD PRO 85 -18.852 19.069 27.612 595 2HD PRO 85 2HD PRO 85 -17.848 17.590 27.652 Start of MODEL 16 1 1H LYS 1 1H LYS 1 -6.836 5.901 -10.350 2 2H LYS 1 2H LYS 1 -7.330 4.756 -11.430 3 3H LYS 1 3H LYS 1 -7.682 4.583 -9.825 4 HA LYS 1 HA LYS 1 -5.392 4.378 -9.286 5 1HB LYS 1 1HB LYS 1 -6.598 2.331 -9.620 6 2HB LYS 1 2HB LYS 1 -6.477 2.471 -11.377 7 1HG LYS 1 1HG LYS 1 -4.958 0.771 -10.536 8 2HG LYS 1 2HG LYS 1 -4.056 2.074 -11.306 9 1HD LYS 1 1HD LYS 1 -3.518 3.023 -9.057 10 2HD LYS 1 2HD LYS 1 -4.428 1.707 -8.289 11 1HE LYS 1 1HE LYS 1 -2.885 0.045 -9.239 12 2HE LYS 1 2HE LYS 1 -2.058 1.302 -10.183 13 1HZ LYS 1 1HZ LYS 1 -2.124 1.208 -7.256 14 2HZ LYS 1 2HZ LYS 1 -0.870 0.716 -8.208 15 3HZ LYS 1 3HZ LYS 1 -1.317 2.297 -8.201 16 H ALA 2 H ALA 2 -3.763 5.733 -9.829 17 HA ALA 2 HA ALA 2 -2.805 5.931 -12.648 18 1HB ALA 2 1HB ALA 2 -2.867 8.006 -11.298 19 2HB ALA 2 2HB ALA 2 -1.792 7.249 -10.094 20 3HB ALA 2 3HB ALA 2 -1.211 7.558 -11.740 21 H THR 3 H THR 3 -0.312 5.562 -12.818 22 HA THR 3 HA THR 3 0.441 2.939 -12.000 23 HB THR 3 HB THR 3 2.746 3.963 -12.676 24 HG1 THR 3 HG1 THR 3 2.503 6.003 -13.705 25 1HG2 THR 3 1HG2 THR 3 0.371 4.116 -14.609 26 2HG2 THR 3 2HG2 THR 3 2.084 4.012 -15.078 27 3HG2 THR 3 3HG2 THR 3 1.309 2.661 -14.229 28 H MET 4 H MET 4 1.601 6.140 -10.954 29 HA MET 4 HA MET 4 2.584 5.172 -8.368 30 1HB MET 4 1HB MET 4 2.245 7.941 -9.600 31 2HB MET 4 2HB MET 4 2.817 7.686 -7.953 32 1HG MET 4 1HG MET 4 4.721 7.990 -9.247 33 2HG MET 4 2HG MET 4 4.684 6.290 -8.787 34 1HE MET 4 1HE MET 4 6.655 5.915 -10.492 35 2HE MET 4 2HE MET 4 6.587 6.382 -12.209 36 3HE MET 4 3HE MET 4 6.605 7.637 -10.947 37 H GLN 5 H GLN 5 -0.025 4.283 -8.547 38 HA GLN 5 HA GLN 5 -1.885 4.092 -7.356 39 1HB GLN 5 1HB GLN 5 -0.201 4.353 -5.507 40 2HB GLN 5 2HB GLN 5 -0.668 6.053 -5.378 41 1HG GLN 5 1HG GLN 5 -3.042 5.295 -4.951 42 2HG GLN 5 2HG GLN 5 -2.431 3.631 -4.942 43 1HE2 GLN 5 2HE2 GLN 5 -1.890 6.891 -3.376 44 2HE2 GLN 5 1HE2 GLN 5 -1.471 6.193 -1.822 45 H CYS 6 H CYS 6 -1.171 7.509 -6.820 46 HA CYS 6 HA CYS 6 -2.666 9.046 -6.206 47 1HB CYS 6 1HB CYS 6 -3.006 9.152 -9.210 48 2HB CYS 6 2HB CYS 6 -3.354 10.453 -8.058 49 H GLY 7 H GLY 7 -4.951 8.802 -8.791 50 1HA GLY 7 1HA GLY 7 -7.122 8.145 -8.890 51 2HA GLY 7 2HA GLY 7 -6.825 7.049 -7.536 52 H GLU 8 H GLU 8 -6.544 8.308 -5.355 53 HA GLU 8 HA GLU 8 -9.173 9.523 -4.947 54 1HB GLU 8 1HB GLU 8 -6.982 8.838 -2.938 55 2HB GLU 8 2HB GLU 8 -8.646 9.306 -2.579 56 1HG GLU 8 1HG GLU 8 -8.668 6.971 -2.391 57 2HG GLU 8 2HG GLU 8 -9.386 7.269 -3.974 58 H ASN 9 H ASN 9 -8.253 11.361 -6.409 59 HA ASN 9 HA ASN 9 -7.506 13.456 -6.723 60 1HB ASN 9 1HB ASN 9 -8.461 15.156 -5.401 61 2HB ASN 9 2HB ASN 9 -9.597 13.813 -5.454 62 1HD2 ASN 9 2HD2 ASN 9 -7.174 15.475 -3.407 63 2HD2 ASN 9 1HD2 ASN 9 -7.990 15.080 -1.885 64 H GLU 10 H GLU 10 -5.496 11.695 -5.579 65 HA GLU 10 HA GLU 10 -3.915 13.206 -3.693 66 1HB GLU 10 1HB GLU 10 -3.260 10.874 -5.497 67 2HB GLU 10 2HB GLU 10 -2.262 11.385 -4.136 68 1HG GLU 10 1HG GLU 10 -4.458 11.023 -2.755 69 2HG GLU 10 2HG GLU 10 -4.946 9.984 -4.099 70 H LYS 11 H LYS 11 -1.553 13.651 -4.170 71 HA LYS 11 HA LYS 11 -0.932 14.279 -7.001 72 1HB LYS 11 1HB LYS 11 -0.548 16.226 -4.690 73 2HB LYS 11 2HB LYS 11 0.102 16.403 -6.342 74 1HG LYS 11 1HG LYS 11 -2.277 16.236 -7.190 75 2HG LYS 11 2HG LYS 11 -2.823 16.327 -5.505 76 1HD LYS 11 1HD LYS 11 -1.813 18.526 -5.222 77 2HD LYS 11 2HD LYS 11 -1.062 18.458 -6.824 78 1HE LYS 11 1HE LYS 11 -4.080 18.378 -6.364 79 2HE LYS 11 2HE LYS 11 -3.167 19.857 -6.705 80 1HZ LYS 11 1HZ LYS 11 -2.480 18.868 -8.775 81 2HZ LYS 11 2HZ LYS 11 -3.363 17.511 -8.459 82 3HZ LYS 11 3HZ LYS 11 -4.123 18.956 -8.670 83 H TYR 12 H TYR 12 1.329 14.351 -7.430 84 HA TYR 12 HA TYR 12 2.552 12.068 -6.560 85 1HB TYR 12 1HB TYR 12 3.101 13.161 -8.643 86 2HB TYR 12 2HB TYR 12 3.831 14.520 -7.787 87 HD1 TYR 12 HD1 TYR 12 4.218 10.924 -8.666 88 HD2 TYR 12 HD2 TYR 12 6.058 14.329 -6.764 89 HE1 TYR 12 HE1 TYR 12 6.409 9.778 -8.728 90 HE2 TYR 12 HE2 TYR 12 8.243 13.156 -6.790 91 HH TYR 12 HH TYR 12 8.650 10.033 -8.478 92 H ASP 13 H ASP 13 3.871 11.447 -4.879 93 HA ASP 13 HA ASP 13 5.589 13.214 -3.429 94 1HB ASP 13 1HB ASP 13 3.480 14.049 -2.403 95 2HB ASP 13 2HB ASP 13 2.982 12.371 -2.098 96 H SER 14 H SER 14 6.860 12.006 -1.867 97 HA SER 14 HA SER 14 6.748 9.079 -2.167 98 1HB SER 14 1HB SER 14 8.456 10.951 -0.479 99 2HB SER 14 2HB SER 14 8.522 9.189 -0.337 100 HG SER 14 HG SER 14 10.074 9.982 -1.819 101 H CYS 15 H CYS 15 4.395 8.982 -1.548 102 HA CYS 15 HA CYS 15 3.873 9.346 1.247 103 1HB CYS 15 1HB CYS 15 1.937 8.277 1.256 104 2HB CYS 15 2HB CYS 15 1.993 9.249 -0.203 105 H GLY 16 H GLY 16 5.979 7.178 -0.145 106 1HA GLY 16 1HA GLY 16 5.852 5.331 2.067 107 2HA GLY 16 2HA GLY 16 7.213 5.504 0.911 108 H SER 17 H SER 17 5.541 7.438 3.229 109 HA SER 17 HA SER 17 7.200 7.751 5.387 110 1HB SER 17 1HB SER 17 8.149 9.997 5.118 111 2HB SER 17 2HB SER 17 8.876 8.873 3.972 112 HG SER 17 HG SER 17 7.323 9.756 2.389 113 H LYS 18 H LYS 18 5.221 9.690 3.110 114 HA LYS 18 HA LYS 18 3.609 10.876 5.139 115 1HB LYS 18 1HB LYS 18 4.032 11.338 2.465 116 2HB LYS 18 2HB LYS 18 2.390 10.670 2.504 117 1HG LYS 18 1HG LYS 18 2.294 13.071 2.641 118 2HG LYS 18 2HG LYS 18 1.804 12.435 4.222 119 1HD LYS 18 1HD LYS 18 4.135 12.974 5.065 120 2HD LYS 18 2HD LYS 18 4.554 13.564 3.453 121 1HE LYS 18 1HE LYS 18 2.350 14.699 5.251 122 2HE LYS 18 2HE LYS 18 3.973 15.375 5.067 123 1HZ LYS 18 1HZ LYS 18 3.508 15.716 2.745 124 2HZ LYS 18 2HZ LYS 18 1.982 15.122 2.923 125 3HZ LYS 18 3HZ LYS 18 2.415 16.506 3.690 126 H GLU 19 H GLU 19 3.513 7.685 3.870 127 HA GLU 19 HA GLU 19 0.789 7.095 4.115 128 1HB GLU 19 1HB GLU 19 1.499 4.759 4.436 129 2HB GLU 19 2HB GLU 19 2.273 5.525 3.063 130 1HG GLU 19 1HG GLU 19 4.069 4.402 4.026 131 2HG GLU 19 2HG GLU 19 4.289 5.996 4.722 132 H CYS 20 H CYS 20 -0.493 6.481 5.797 133 HA CYS 20 HA CYS 20 -1.358 6.844 7.843 134 1HB CYS 20 1HB CYS 20 -0.138 4.683 8.013 135 2HB CYS 20 2HB CYS 20 1.233 5.524 8.731 136 H ASP 21 H ASP 21 0.857 8.993 6.866 137 HA ASP 21 HA ASP 21 1.708 10.193 9.357 138 1HB ASP 21 1HB ASP 21 2.971 10.279 7.216 139 2HB ASP 21 2HB ASP 21 1.708 11.264 6.489 140 H LYS 22 H LYS 22 -0.280 11.512 6.683 141 HA LYS 22 HA LYS 22 -1.960 13.079 8.523 142 1HB LYS 22 1HB LYS 22 -2.110 12.651 5.517 143 2HB LYS 22 2HB LYS 22 -3.063 13.816 6.465 144 1HG LYS 22 1HG LYS 22 -0.834 14.781 7.268 145 2HG LYS 22 2HG LYS 22 -0.045 13.841 6.004 146 1HD LYS 22 1HD LYS 22 -2.241 15.936 5.554 147 2HD LYS 22 2HD LYS 22 -0.507 16.226 5.433 148 1HE LYS 22 1HE LYS 22 -1.204 15.969 3.217 149 2HE LYS 22 2HE LYS 22 -0.418 14.435 3.598 150 1HZ LYS 22 1HZ LYS 22 -3.330 14.926 3.687 151 2HZ LYS 22 2HZ LYS 22 -2.513 14.304 2.396 152 3HZ LYS 22 3HZ LYS 22 -2.572 13.471 3.819 153 H LYS 23 H LYS 23 -2.180 10.645 9.468 154 HA LYS 23 HA LYS 23 -4.327 9.115 8.299 155 1HB LYS 23 1HB LYS 23 -2.451 8.036 9.399 156 2HB LYS 23 2HB LYS 23 -2.652 8.996 10.856 157 1HG LYS 23 1HG LYS 23 -3.423 6.723 11.187 158 2HG LYS 23 2HG LYS 23 -4.776 7.846 11.354 159 1HD LYS 23 1HD LYS 23 -5.406 7.381 8.959 160 2HD LYS 23 2HD LYS 23 -4.030 6.287 8.848 161 1HE LYS 23 1HE LYS 23 -5.925 4.867 9.299 162 2HE LYS 23 2HE LYS 23 -5.094 5.004 10.855 163 1HZ LYS 23 1HZ LYS 23 -6.712 6.825 11.347 164 2HZ LYS 23 2HZ LYS 23 -7.479 6.433 9.934 165 3HZ LYS 23 3HZ LYS 23 -7.397 5.334 11.154 166 H CYS 24 H CYS 24 -6.467 9.127 9.052 167 HA CYS 24 HA CYS 24 -7.546 11.251 10.630 168 1HB CYS 24 1HB CYS 24 -9.011 10.066 9.193 169 2HB CYS 24 2HB CYS 24 -8.516 8.490 9.844 170 H LYS 25 H LYS 25 -7.169 11.590 12.756 171 HA LYS 25 HA LYS 25 -6.247 9.362 14.502 172 1HB LYS 25 1HB LYS 25 -6.238 12.374 14.929 173 2HB LYS 25 2HB LYS 25 -5.508 11.160 15.995 174 1HG LYS 25 1HG LYS 25 -4.642 11.995 13.213 175 2HG LYS 25 2HG LYS 25 -3.752 12.149 14.736 176 1HD LYS 25 1HD LYS 25 -3.663 9.611 14.853 177 2HD LYS 25 2HD LYS 25 -4.302 9.594 13.199 178 1HE LYS 25 1HE LYS 25 -1.663 10.797 14.155 179 2HE LYS 25 2HE LYS 25 -1.900 9.418 13.076 180 1HZ LYS 25 1HZ LYS 25 -3.024 11.040 11.571 181 2HZ LYS 25 2HZ LYS 25 -2.448 12.244 12.525 182 3HZ LYS 25 3HZ LYS 25 -1.394 11.252 11.737 183 H TYR 26 H TYR 26 -7.125 9.175 16.652 184 HA TYR 26 HA TYR 26 -9.912 10.178 16.957 185 1HB TYR 26 1HB TYR 26 -8.973 7.320 17.349 186 2HB TYR 26 2HB TYR 26 -10.589 7.943 17.692 187 HD1 TYR 26 HD1 TYR 26 -11.595 9.389 15.560 188 HD2 TYR 26 HD2 TYR 26 -8.840 6.076 15.344 189 HE1 TYR 26 HE1 TYR 26 -12.441 8.842 13.334 190 HE2 TYR 26 HE2 TYR 26 -9.727 5.507 13.100 191 HH TYR 26 HH TYR 26 -12.543 7.202 11.692 192 H ASP 27 H ASP 27 -8.051 11.567 18.232 193 HA ASP 27 HA ASP 27 -8.455 10.692 21.070 194 1HB ASP 27 1HB ASP 27 -6.035 10.913 20.112 195 2HB ASP 27 2HB ASP 27 -6.382 12.647 20.127 196 H GLY 28 H GLY 28 -7.791 13.415 22.003 197 1HA GLY 28 1HA GLY 28 -10.357 14.444 22.286 198 2HA GLY 28 2HA GLY 28 -8.842 15.304 22.591 199 H VAL 29 H VAL 29 -11.341 14.657 20.299 200 HA VAL 29 HA VAL 29 -12.195 15.772 18.517 201 HB VAL 29 HB VAL 29 -10.400 18.156 19.110 202 1HG1 VAL 29 1HG1 VAL 29 -11.555 18.169 16.894 203 2HG1 VAL 29 2HG1 VAL 29 -13.103 17.884 17.710 204 3HG1 VAL 29 3HG1 VAL 29 -12.212 19.395 17.981 205 1HG2 VAL 29 1HG2 VAL 29 -13.141 17.458 20.248 206 2HG2 VAL 29 2HG2 VAL 29 -11.638 17.679 21.169 207 3HG2 VAL 29 3HG2 VAL 29 -12.376 19.058 20.353 208 H GLU 30 H GLU 30 -10.422 13.860 18.231 209 HA GLU 30 HA GLU 30 -9.181 12.805 16.676 210 1HB GLU 30 1HB GLU 30 -8.595 15.401 15.218 211 2HB GLU 30 2HB GLU 30 -8.341 13.749 14.657 212 1HG GLU 30 1HG GLU 30 -10.681 13.360 14.376 213 2HG GLU 30 2HG GLU 30 -11.119 14.847 15.236 214 H GLU 31 H GLU 31 -7.903 16.051 17.421 215 HA GLU 31 HA GLU 31 -6.126 16.822 18.435 216 1HB GLU 31 1HB GLU 31 -6.225 14.827 19.929 217 2HB GLU 31 2HB GLU 31 -5.019 14.031 18.870 218 1HG GLU 31 1HG GLU 31 -3.449 15.898 19.333 219 2HG GLU 31 2HG GLU 31 -4.693 16.679 20.327 220 H GLU 32 H GLU 32 -5.784 14.410 15.922 221 HA GLU 32 HA GLU 32 -4.461 14.280 14.075 222 1HB GLU 32 1HB GLU 32 -4.191 17.289 14.370 223 2HB GLU 32 2HB GLU 32 -3.932 16.326 12.910 224 1HG GLU 32 1HG GLU 32 -6.333 15.549 13.048 225 2HG GLU 32 2HG GLU 32 -6.581 16.668 14.401 226 H ASP 33 H ASP 33 -3.278 13.636 16.463 227 HA ASP 33 HA ASP 33 -0.745 14.866 16.911 228 1HB ASP 33 1HB ASP 33 -2.003 13.683 18.649 229 2HB ASP 33 2HB ASP 33 -1.862 12.160 17.754 230 H ASP 34 H ASP 34 -0.022 14.883 14.669 231 HA ASP 34 HA ASP 34 0.732 12.382 13.347 232 1HB ASP 34 1HB ASP 34 -0.245 14.298 12.109 233 2HB ASP 34 2HB ASP 34 1.152 15.292 12.553 234 H GLU 35 H GLU 35 1.921 12.641 15.788 235 HA GLU 35 HA GLU 35 4.646 13.671 15.582 236 1HB GLU 35 1HB GLU 35 3.240 13.571 17.688 237 2HB GLU 35 2HB GLU 35 3.513 11.817 17.716 238 1HG GLU 35 1HG GLU 35 5.993 12.286 17.752 239 2HG GLU 35 2HG GLU 35 5.627 14.022 17.743 240 H GLU 36 H GLU 36 4.831 12.447 13.495 241 HA GLU 36 HA GLU 36 5.630 10.767 12.184 242 1HB GLU 36 1HB GLU 36 7.397 10.203 14.597 243 2HB GLU 36 2HB GLU 36 7.696 9.738 12.921 244 1HG GLU 36 1HG GLU 36 9.038 11.646 13.286 245 2HG GLU 36 2HG GLU 36 7.681 12.204 12.300 246 HA PRO 37 HA PRO 37 3.234 7.308 14.396 247 1HB PRO 37 1HB PRO 37 1.006 7.269 12.767 248 2HB PRO 37 2HB PRO 37 1.142 8.275 14.240 249 1HG PRO 37 1HG PRO 37 1.699 9.119 11.384 250 2HG PRO 37 2HG PRO 37 0.664 9.949 12.575 251 1HD PRO 37 1HD PRO 37 3.213 10.737 12.168 252 2HD PRO 37 2HD PRO 37 2.557 10.619 13.834 253 H ASN 38 H ASN 38 3.553 8.224 10.984 254 HA ASN 38 HA ASN 38 3.523 5.981 9.497 255 1HB ASN 38 1HB ASN 38 5.480 6.972 8.210 256 2HB ASN 38 2HB ASN 38 4.044 7.970 8.461 257 1HD2 ASN 38 2HD2 ASN 38 5.444 9.708 7.841 258 2HD2 ASN 38 1HD2 ASN 38 6.264 10.567 9.138 259 H VAL 39 H VAL 39 6.467 6.832 11.402 260 HA VAL 39 HA VAL 39 7.974 4.643 10.574 261 HB VAL 39 HB VAL 39 8.147 6.216 13.158 262 1HG1 VAL 39 1HG1 VAL 39 10.098 4.169 11.998 263 2HG1 VAL 39 2HG1 VAL 39 10.457 5.293 13.325 264 3HG1 VAL 39 3HG1 VAL 39 9.245 4.029 13.552 265 1HG2 VAL 39 1HG2 VAL 39 9.748 6.271 10.572 266 2HG2 VAL 39 2HG2 VAL 39 8.553 7.481 11.078 267 3HG2 VAL 39 3HG2 VAL 39 10.038 7.270 12.010 268 HA PRO 40 HA PRO 40 6.525 1.685 13.987 269 1HB PRO 40 1HB PRO 40 4.478 2.338 15.703 270 2HB PRO 40 2HB PRO 40 6.204 2.658 16.035 271 1HG PRO 40 1HG PRO 40 4.159 4.576 14.894 272 2HG PRO 40 2HG PRO 40 5.298 4.868 16.237 273 1HD PRO 40 1HD PRO 40 5.911 5.713 13.749 274 2HD PRO 40 2HD PRO 40 7.155 4.955 14.773 275 H CYS 41 H CYS 41 4.088 3.785 12.423 276 HA CYS 41 HA CYS 41 2.064 1.737 12.241 277 1HB CYS 41 1HB CYS 41 1.629 4.181 12.306 278 2HB CYS 41 2HB CYS 41 2.331 4.314 10.684 279 H LEU 42 H LEU 42 3.861 0.257 11.461 280 HA LEU 42 HA LEU 42 5.056 -0.801 9.817 281 1HB LEU 42 1HB LEU 42 3.518 -2.373 8.698 282 2HB LEU 42 2HB LEU 42 3.427 -2.252 10.439 283 HG LEU 42 HG LEU 42 1.300 -2.648 9.355 284 1HD1 LEU 42 1HD1 LEU 42 1.489 -1.497 11.605 285 2HD1 LEU 42 2HD1 LEU 42 1.065 0.012 10.760 286 3HD1 LEU 42 3HD1 LEU 42 -0.048 -1.350 10.736 287 1HD2 LEU 42 1HD2 LEU 42 1.468 -1.354 7.308 288 2HD2 LEU 42 2HD2 LEU 42 0.026 -0.900 8.224 289 3HD2 LEU 42 3HD2 LEU 42 1.438 0.169 8.231 290 H VAL 43 H VAL 43 5.593 1.456 8.888 291 HA VAL 43 HA VAL 43 5.329 2.693 6.745 292 HB VAL 43 HB VAL 43 7.726 2.342 6.030 293 1HG1 VAL 43 1HG1 VAL 43 7.001 4.088 7.601 294 2HG1 VAL 43 2HG1 VAL 43 7.161 2.938 8.947 295 3HG1 VAL 43 3HG1 VAL 43 8.591 3.437 8.025 296 1HG2 VAL 43 1HG2 VAL 43 7.964 -0.040 6.836 297 2HG2 VAL 43 2HG2 VAL 43 9.178 1.065 7.498 298 3HG2 VAL 43 3HG2 VAL 43 7.816 0.550 8.503 299 H ARG 44 H ARG 44 3.636 1.756 5.421 300 HA ARG 44 HA ARG 44 4.459 -0.192 3.367 301 1HB ARG 44 1HB ARG 44 2.362 0.643 2.205 302 2HB ARG 44 2HB ARG 44 2.170 -0.261 3.708 303 1HG ARG 44 1HG ARG 44 1.511 1.589 4.946 304 2HG ARG 44 2HG ARG 44 2.236 2.748 3.819 305 1HD ARG 44 1HD ARG 44 -0.102 0.998 3.034 306 2HD ARG 44 2HD ARG 44 -0.308 2.578 3.824 307 HE ARG 44 HE ARG 44 1.422 3.074 1.711 308 1HH1 ARG 44 1HH1 ARG 44 -1.818 1.709 1.971 309 2HH1 ARG 44 2HH1 ARG 44 -2.410 2.389 0.488 310 1HH2 ARG 44 1HH2 ARG 44 0.702 4.002 -0.228 311 2HH2 ARG 44 2HH2 ARG 44 -0.883 3.660 -0.877 312 H VAL 45 H VAL 45 6.456 0.790 2.783 313 HA VAL 45 HA VAL 45 6.771 3.427 2.098 314 HB VAL 45 HB VAL 45 8.917 2.841 1.006 315 1HG1 VAL 45 1HG1 VAL 45 8.693 3.356 3.408 316 2HG1 VAL 45 2HG1 VAL 45 8.391 1.639 3.753 317 3HG1 VAL 45 3HG1 VAL 45 9.953 2.153 3.098 318 1HG2 VAL 45 1HG2 VAL 45 8.309 0.515 0.191 319 2HG2 VAL 45 2HG2 VAL 45 9.744 0.539 1.221 320 3HG2 VAL 45 3HG2 VAL 45 8.198 -0.017 1.878 321 H CYS 46 H CYS 46 4.762 3.726 0.767 322 HA CYS 46 HA CYS 46 4.999 3.340 -2.125 323 1HB CYS 46 1HB CYS 46 3.218 5.166 -2.134 324 2HB CYS 46 2HB CYS 46 2.798 3.565 -1.546 325 H HIS 47 H HIS 47 7.371 4.012 -1.776 326 HA HIS 47 HA HIS 47 7.840 6.842 -1.356 327 1HB HIS 47 1HB HIS 47 9.306 4.636 -0.872 328 2HB HIS 47 2HB HIS 47 9.972 5.044 -2.455 329 HD1 HIS 47 HD1 HIS 47 9.532 6.566 1.118 330 HD2 HIS 47 HD2 HIS 47 11.629 7.077 -2.493 331 HE1 HIS 47 HE1 HIS 47 11.211 8.406 1.528 332 H GLN 48 H GLN 48 8.549 8.380 -2.946 333 HA GLN 48 HA GLN 48 7.893 9.511 -4.788 334 1HB GLN 48 1HB GLN 48 9.463 7.191 -5.993 335 2HB GLN 48 2HB GLN 48 8.992 8.636 -6.882 336 1HG GLN 48 1HG GLN 48 10.130 10.007 -5.006 337 2HG GLN 48 2HG GLN 48 10.806 8.475 -4.442 338 1HE2 GLN 48 2HE2 GLN 48 10.464 10.493 -7.432 339 2HE2 GLN 48 1HE2 GLN 48 12.070 10.099 -8.040 340 H ASP 49 H ASP 49 5.666 8.651 -3.998 341 HA ASP 49 HA ASP 49 4.267 7.259 -6.228 342 1HB ASP 49 1HB ASP 49 4.560 5.894 -4.147 343 2HB ASP 49 2HB ASP 49 3.654 7.126 -3.249 344 H CYS 50 H CYS 50 1.973 8.175 -3.970 345 HA CYS 50 HA CYS 50 1.719 10.975 -4.762 346 1HB CYS 50 1HB CYS 50 1.022 9.412 -6.663 347 2HB CYS 50 2HB CYS 50 -0.309 8.878 -5.619 348 H VAL 51 H VAL 51 0.369 12.043 -3.265 349 HA VAL 51 HA VAL 51 -0.836 10.335 -1.133 350 HB VAL 51 HB VAL 51 1.491 11.315 -0.563 351 1HG1 VAL 51 1HG1 VAL 51 1.009 13.592 -1.573 352 2HG1 VAL 51 2HG1 VAL 51 -0.070 13.896 -0.205 353 3HG1 VAL 51 3HG1 VAL 51 1.643 13.597 0.088 354 1HG2 VAL 51 1HG2 VAL 51 -0.907 11.845 1.225 355 2HG2 VAL 51 2HG2 VAL 51 0.061 10.350 1.103 356 3HG2 VAL 51 3HG2 VAL 51 0.771 11.845 1.713 357 H CYS 52 H CYS 52 -2.550 11.215 -0.035 358 HA CYS 52 HA CYS 52 -4.474 12.855 -1.178 359 1HB CYS 52 1HB CYS 52 -3.778 12.592 1.790 360 2HB CYS 52 2HB CYS 52 -5.324 13.111 1.117 361 H GLU 53 H GLU 53 -4.787 15.030 -1.371 362 HA GLU 53 HA GLU 53 -2.597 16.817 -1.168 363 1HB GLU 53 1HB GLU 53 -5.594 17.323 -1.274 364 2HB GLU 53 2HB GLU 53 -4.387 18.605 -1.431 365 1HG GLU 53 1HG GLU 53 -3.497 17.622 -3.462 366 2HG GLU 53 2HG GLU 53 -4.498 16.181 -3.275 367 H GLU 54 H GLU 54 -2.115 18.524 0.279 368 HA GLU 54 HA GLU 54 -2.419 18.077 3.043 369 1HB GLU 54 1HB GLU 54 -2.038 20.767 1.654 370 2HB GLU 54 2HB GLU 54 -1.637 20.373 3.329 371 1HG GLU 54 1HG GLU 54 -0.271 19.296 0.818 372 2HG GLU 54 2HG GLU 54 0.397 20.395 2.019 373 H GLY 55 H GLY 55 -4.061 18.404 4.438 374 1HA GLY 55 1HA GLY 55 -5.968 19.662 5.265 375 2HA GLY 55 2HA GLY 55 -6.459 20.014 3.605 376 H PHE 56 H PHE 56 -5.843 17.317 2.573 377 HA PHE 56 HA PHE 56 -8.203 15.843 3.558 378 1HB PHE 56 1HB PHE 56 -6.213 15.212 1.373 379 2HB PHE 56 2HB PHE 56 -7.529 14.178 1.889 380 HD1 PHE 56 HD1 PHE 56 -6.943 17.706 0.648 381 HD2 PHE 56 HD2 PHE 56 -9.561 14.270 0.701 382 HE1 PHE 56 HE1 PHE 56 -8.343 18.730 -1.114 383 HE2 PHE 56 HE2 PHE 56 -10.953 15.305 -1.042 384 HZ PHE 56 HZ PHE 56 -10.354 17.539 -1.962 385 H TYR 57 H TYR 57 -7.967 13.820 4.577 386 HA TYR 57 HA TYR 57 -5.281 13.083 5.625 387 1HB TYR 57 1HB TYR 57 -8.076 12.821 6.824 388 2HB TYR 57 2HB TYR 57 -6.696 11.886 7.379 389 HD1 TYR 57 HD1 TYR 57 -7.817 15.428 6.833 390 HD2 TYR 57 HD2 TYR 57 -5.217 12.748 8.978 391 HE1 TYR 57 HE1 TYR 57 -6.889 17.346 8.050 392 HE2 TYR 57 HE2 TYR 57 -4.230 14.691 10.188 393 HH TYR 57 HH TYR 57 -5.423 18.006 9.786 394 H ARG 58 H ARG 58 -4.751 10.956 5.368 395 HA ARG 58 HA ARG 58 -6.356 9.336 3.449 396 1HB ARG 58 1HB ARG 58 -4.536 7.657 3.895 397 2HB ARG 58 2HB ARG 58 -4.107 9.076 2.941 398 1HG ARG 58 1HG ARG 58 -2.924 10.097 4.802 399 2HG ARG 58 2HG ARG 58 -3.333 8.722 5.850 400 1HD ARG 58 1HD ARG 58 -1.733 8.622 3.251 401 2HD ARG 58 2HD ARG 58 -1.055 8.523 4.871 402 HE ARG 58 HE ARG 58 -2.868 6.514 4.968 403 1HH1 ARG 58 1HH1 ARG 58 -0.499 7.155 2.391 404 2HH1 ARG 58 2HH1 ARG 58 -0.636 5.553 1.730 405 1HH2 ARG 58 1HH2 ARG 58 -3.085 4.523 4.052 406 2HH2 ARG 58 2HH2 ARG 58 -2.001 3.986 2.771 407 H ASN 59 H ASN 59 -8.267 9.007 4.663 408 HA ASN 59 HA ASN 59 -8.429 8.576 7.373 409 1HB ASN 59 1HB ASN 59 -10.349 8.826 5.833 410 2HB ASN 59 2HB ASN 59 -10.116 7.158 5.277 411 1HD2 ASN 59 2HD2 ASN 59 -12.215 6.488 6.010 412 2HD2 ASN 59 1HD2 ASN 59 -12.617 6.449 7.721 413 H LYS 60 H LYS 60 -7.543 6.227 4.910 414 HA LYS 60 HA LYS 60 -5.962 4.788 6.792 415 1HB LYS 60 1HB LYS 60 -7.041 2.507 6.257 416 2HB LYS 60 2HB LYS 60 -7.706 3.517 7.525 417 1HG LYS 60 1HG LYS 60 -9.548 4.231 6.303 418 2HG LYS 60 2HG LYS 60 -8.967 3.644 4.752 419 1HD LYS 60 1HD LYS 60 -9.507 1.745 7.079 420 2HD LYS 60 2HD LYS 60 -10.812 2.357 6.070 421 1HE LYS 60 1HE LYS 60 -10.203 0.211 5.226 422 2HE LYS 60 2HE LYS 60 -9.737 1.425 4.030 423 1HZ LYS 60 1HZ LYS 60 -7.931 0.145 5.968 424 2HZ LYS 60 2HZ LYS 60 -8.079 -0.271 4.382 425 3HZ LYS 60 3HZ LYS 60 -7.485 1.207 4.789 426 H ASP 61 H ASP 61 -7.241 3.072 4.002 427 HA ASP 61 HA ASP 61 -4.570 3.018 2.823 428 1HB ASP 61 1HB ASP 61 -5.927 1.009 2.809 429 2HB ASP 61 2HB ASP 61 -7.235 1.844 1.950 430 H ASP 62 H ASP 62 -4.569 5.435 2.634 431 HA ASP 62 HA ASP 62 -4.956 7.444 1.614 432 1HB ASP 62 1HB ASP 62 -4.397 5.630 -0.749 433 2HB ASP 62 2HB ASP 62 -4.588 7.372 -0.922 434 H LYS 63 H LYS 63 -7.319 6.253 2.406 435 HA LYS 63 HA LYS 63 -9.337 7.030 0.396 436 1HB LYS 63 1HB LYS 63 -9.538 6.295 3.334 437 2HB LYS 63 2HB LYS 63 -10.920 6.581 2.263 438 1HG LYS 63 1HG LYS 63 -8.801 4.408 1.863 439 2HG LYS 63 2HG LYS 63 -10.350 4.158 2.669 440 1HD LYS 63 1HD LYS 63 -11.601 4.585 0.678 441 2HD LYS 63 2HD LYS 63 -10.181 5.131 -0.224 442 1HE LYS 63 1HE LYS 63 -10.375 2.321 0.921 443 2HE LYS 63 2HE LYS 63 -10.948 2.752 -0.697 444 1HZ LYS 63 1HZ LYS 63 -8.184 3.201 0.205 445 2HZ LYS 63 2HZ LYS 63 -8.693 1.913 -0.688 446 3HZ LYS 63 3HZ LYS 63 -8.795 3.437 -1.298 447 H CYS 64 H CYS 64 -8.386 9.019 -0.053 448 HA CYS 64 HA CYS 64 -7.763 10.979 1.855 449 1HB CYS 64 1HB CYS 64 -8.409 11.485 -1.079 450 2HB CYS 64 2HB CYS 64 -7.508 12.509 0.022 451 H VAL 65 H VAL 65 -9.264 11.726 3.293 452 HA VAL 65 HA VAL 65 -11.466 13.358 2.189 453 HB VAL 65 HB VAL 65 -13.027 12.482 3.911 454 1HG1 VAL 65 1HG1 VAL 65 -13.180 11.744 1.541 455 2HG1 VAL 65 2HG1 VAL 65 -12.195 10.319 1.944 456 3HG1 VAL 65 3HG1 VAL 65 -13.783 10.543 2.696 457 1HG2 VAL 65 1HG2 VAL 65 -11.393 11.367 5.438 458 2HG2 VAL 65 2HG2 VAL 65 -12.639 10.231 4.888 459 3HG2 VAL 65 3HG2 VAL 65 -11.035 10.187 4.163 460 H SER 66 H SER 66 -12.029 15.129 3.702 461 HA SER 66 HA SER 66 -9.677 15.997 5.111 462 1HB SER 66 1HB SER 66 -11.310 17.912 5.674 463 2HB SER 66 2HB SER 66 -10.930 17.623 3.970 464 HG SER 66 HG SER 66 -13.224 17.839 4.450 465 H ALA 67 H ALA 67 -9.710 16.804 7.330 466 HA ALA 67 HA ALA 67 -10.236 14.929 9.305 467 1HB ALA 67 1HB ALA 67 -10.193 17.968 9.526 468 2HB ALA 67 2HB ALA 67 -10.083 16.838 10.889 469 3HB ALA 67 3HB ALA 67 -8.809 16.857 9.669 470 H GLU 68 H GLU 68 -12.347 17.378 7.955 471 HA GLU 68 HA GLU 68 -14.644 17.385 9.478 472 1HB GLU 68 1HB GLU 68 -14.513 17.110 6.446 473 2HB GLU 68 2HB GLU 68 -15.832 17.804 7.390 474 1HG GLU 68 1HG GLU 68 -14.375 19.658 8.125 475 2HG GLU 68 2HG GLU 68 -13.002 18.999 7.228 476 H ASP 69 H ASP 69 -13.654 14.862 7.093 477 HA ASP 69 HA ASP 69 -16.041 13.250 7.500 478 1HB ASP 69 1HB ASP 69 -14.699 13.168 5.406 479 2HB ASP 69 2HB ASP 69 -13.342 12.462 6.309 480 H CYS 70 H CYS 70 -12.620 13.071 8.507 481 HA CYS 70 HA CYS 70 -12.604 10.701 9.967 482 1HB CYS 70 1HB CYS 70 -10.592 12.032 9.490 483 2HB CYS 70 2HB CYS 70 -11.170 13.303 10.571 484 H GLU 71 H GLU 71 -13.515 13.952 11.144 485 HA GLU 71 HA GLU 71 -14.097 13.340 13.821 486 1HB GLU 71 1HB GLU 71 -15.381 15.329 11.904 487 2HB GLU 71 2HB GLU 71 -15.746 15.267 13.634 488 1HG GLU 71 1HG GLU 71 -13.396 15.686 14.205 489 2HG GLU 71 2HG GLU 71 -12.957 15.673 12.497 490 H LEU 72 H LEU 72 -16.160 12.906 10.927 491 HA LEU 72 HA LEU 72 -18.488 12.107 12.530 492 1HB LEU 72 1HB LEU 72 -17.953 11.930 9.536 493 2HB LEU 72 2HB LEU 72 -19.498 11.614 10.327 494 HG LEU 72 HG LEU 72 -18.042 14.302 10.388 495 1HD1 LEU 72 1HD1 LEU 72 -18.751 13.698 8.109 496 2HD1 LEU 72 2HD1 LEU 72 -20.398 13.380 8.695 497 3HD1 LEU 72 3HD1 LEU 72 -19.729 15.026 8.754 498 1HD2 LEU 72 1HD2 LEU 72 -20.855 13.495 11.254 499 2HD2 LEU 72 2HD2 LEU 72 -19.545 14.070 12.313 500 3HD2 LEU 72 3HD2 LEU 72 -20.264 15.164 11.129 501 H ASP 73 H ASP 73 -16.267 10.497 10.234 502 HA ASP 73 HA ASP 73 -17.183 7.811 10.946 503 1HB ASP 73 1HB ASP 73 -16.366 8.361 8.646 504 2HB ASP 73 2HB ASP 73 -14.791 8.818 9.315 505 H ASN 74 H ASN 74 -16.997 8.140 13.186 506 HA ASN 74 HA ASN 74 -14.433 7.255 14.269 507 1HB ASN 74 1HB ASN 74 -14.258 8.983 15.794 508 2HB ASN 74 2HB ASN 74 -14.873 9.900 14.424 509 1HD2 ASN 74 2HD2 ASN 74 -17.507 9.968 14.414 510 2HD2 ASN 74 1HD2 ASN 74 -18.218 10.211 15.999 511 H MET 75 H MET 75 -15.226 7.177 16.764 512 HA MET 75 HA MET 75 -16.894 4.829 16.832 513 1HB MET 75 1HB MET 75 -14.824 5.249 18.205 514 2HB MET 75 2HB MET 75 -15.705 6.470 19.125 515 1HG MET 75 1HG MET 75 -15.556 4.311 20.270 516 2HG MET 75 2HG MET 75 -17.229 4.798 20.000 517 1HE MET 75 1HE MET 75 -14.304 2.597 18.508 518 2HE MET 75 2HE MET 75 -15.209 1.532 17.405 519 3HE MET 75 3HE MET 75 -15.072 3.260 17.039 520 H ASP 76 H ASP 76 -17.283 8.171 17.996 521 HA ASP 76 HA ASP 76 -20.160 8.083 17.864 522 1HB ASP 76 1HB ASP 76 -20.106 6.961 19.990 523 2HB ASP 76 2HB ASP 76 -18.810 7.991 20.605 524 H PHE 77 H PHE 77 -17.826 9.757 19.996 525 HA PHE 77 HA PHE 77 -17.652 12.025 18.166 526 1HB PHE 77 1HB PHE 77 -19.361 12.778 19.797 527 2HB PHE 77 2HB PHE 77 -18.299 12.329 21.127 528 HD1 PHE 77 HD1 PHE 77 -18.710 14.654 18.243 529 HD2 PHE 77 HD2 PHE 77 -16.367 13.710 21.741 530 HE1 PHE 77 HE1 PHE 77 -17.417 16.748 17.951 531 HE2 PHE 77 HE2 PHE 77 -15.046 15.773 21.412 532 HZ PHE 77 HZ PHE 77 -15.583 17.312 19.528 533 H ILE 78 H ILE 78 -15.586 13.014 18.480 534 HA ILE 78 HA ILE 78 -13.705 10.926 19.111 535 HB ILE 78 HB ILE 78 -12.541 13.525 18.277 536 1HG1 ILE 78 1HG1 ILE 78 -13.228 12.871 15.848 537 2HG1 ILE 78 2HG1 ILE 78 -14.682 12.210 16.579 538 1HG2 ILE 78 1HG2 ILE 78 -11.387 11.318 18.440 539 2HG2 ILE 78 2HG2 ILE 78 -12.473 10.698 17.185 540 3HG2 ILE 78 3HG2 ILE 78 -11.342 12.011 16.803 541 1HD1 ILE 78 1HD1 ILE 78 -14.941 14.592 17.672 542 2HD1 ILE 78 2HD1 ILE 78 -13.610 15.072 16.617 543 3HD1 ILE 78 3HD1 ILE 78 -15.129 14.494 15.912 544 H TYR 79 H TYR 79 -14.214 10.825 21.377 545 HA TYR 79 HA TYR 79 -13.237 12.878 23.174 546 1HB TYR 79 1HB TYR 79 -13.595 9.928 23.760 547 2HB TYR 79 2HB TYR 79 -13.614 11.240 24.918 548 HD1 TYR 79 HD1 TYR 79 -15.489 13.093 24.544 549 HD2 TYR 79 HD2 TYR 79 -15.676 9.048 23.058 550 HE1 TYR 79 HE1 TYR 79 -17.959 13.266 24.342 551 HE2 TYR 79 HE2 TYR 79 -18.120 9.222 22.872 552 HH TYR 79 HH TYR 79 -19.926 10.677 22.873 553 HA PRO 80 HA PRO 80 -8.853 11.802 23.430 554 1HB PRO 80 1HB PRO 80 -9.401 11.306 26.362 555 2HB PRO 80 2HB PRO 80 -8.013 12.157 25.620 556 1HG PRO 80 1HG PRO 80 -10.043 13.605 26.669 557 2HG PRO 80 2HG PRO 80 -9.411 14.042 25.052 558 1HD PRO 80 1HD PRO 80 -11.871 12.416 25.717 559 2HD PRO 80 2HD PRO 80 -11.692 13.754 24.544 560 H GLY 81 H GLY 81 -7.634 9.876 23.301 561 1HA GLY 81 1HA GLY 81 -7.431 7.687 22.732 562 2HA GLY 81 2HA GLY 81 -8.004 7.388 24.382 563 H THR 82 H THR 82 -9.799 8.797 21.618 564 HA THR 82 HA THR 82 -11.603 8.259 20.502 565 HB THR 82 HB THR 82 -11.114 5.341 21.224 566 HG1 THR 82 HG1 THR 82 -9.688 7.161 19.750 567 1HG2 THR 82 1HG2 THR 82 -12.462 6.683 18.840 568 2HG2 THR 82 2HG2 THR 82 -12.141 4.946 19.016 569 3HG2 THR 82 3HG2 THR 82 -13.274 5.753 20.118 570 H ARG 83 H ARG 83 -11.688 6.264 23.496 571 HA ARG 83 HA ARG 83 -14.032 7.741 24.433 572 1HB ARG 83 1HB ARG 83 -15.352 5.722 24.882 573 2HB ARG 83 2HB ARG 83 -15.194 6.040 23.157 574 1HG ARG 83 1HG ARG 83 -13.899 4.169 22.757 575 2HG ARG 83 2HG ARG 83 -13.148 4.184 24.356 576 1HD ARG 83 1HD ARG 83 -14.645 2.252 24.195 577 2HD ARG 83 2HD ARG 83 -15.174 3.392 25.421 578 HE ARG 83 HE ARG 83 -17.086 3.866 24.258 579 1HH1 ARG 83 1HH1 ARG 83 -14.920 2.043 22.139 580 2HH1 ARG 83 2HH1 ARG 83 -16.101 1.870 20.861 581 1HH2 ARG 83 1HH2 ARG 83 -18.665 3.519 22.656 582 2HH2 ARG 83 2HH2 ARG 83 -18.281 2.626 21.209 583 H ASN 84 H ASN 84 -11.414 7.860 25.354 584 HA ASN 84 HA ASN 84 -10.909 6.026 27.474 585 1HB ASN 84 1HB ASN 84 -9.108 7.366 26.662 586 2HB ASN 84 2HB ASN 84 -9.934 8.868 27.078 587 1HD2 ASN 84 2HD2 ASN 84 -8.647 5.850 28.591 588 2HD2 ASN 84 1HD2 ASN 84 -8.273 6.635 30.115 589 HA PRO 85 HA PRO 85 -13.319 8.829 30.487 590 1HB PRO 85 1HB PRO 85 -14.876 10.884 29.597 591 2HB PRO 85 2HB PRO 85 -13.141 11.089 29.977 592 1HG PRO 85 1HG PRO 85 -14.379 10.583 27.253 593 2HG PRO 85 2HG PRO 85 -13.224 11.872 27.706 594 1HD PRO 85 1HD PRO 85 -12.372 9.586 26.557 595 2HD PRO 85 2HD PRO 85 -11.442 10.318 27.898 Start of MODEL 17 1 1H LYS 1 1H LYS 1 1.836 3.765 -3.861 2 2H LYS 1 2H LYS 1 0.251 3.281 -3.896 3 3H LYS 1 3H LYS 1 1.338 2.539 -2.894 4 HA LYS 1 HA LYS 1 2.569 1.661 -4.678 5 1HB LYS 1 1HB LYS 1 -0.392 1.062 -5.063 6 2HB LYS 1 2HB LYS 1 0.982 0.061 -5.560 7 1HG LYS 1 1HG LYS 1 1.657 -0.083 -3.111 8 2HG LYS 1 2HG LYS 1 0.175 0.783 -2.711 9 1HD LYS 1 1HD LYS 1 -0.232 -1.555 -2.367 10 2HD LYS 1 2HD LYS 1 -1.209 -0.987 -3.720 11 1HE LYS 1 1HE LYS 1 -0.216 -3.227 -4.117 12 2HE LYS 1 2HE LYS 1 0.312 -2.061 -5.330 13 1HZ LYS 1 1HZ LYS 1 1.856 -2.879 -2.963 14 2HZ LYS 1 2HZ LYS 1 2.105 -3.407 -4.505 15 3HZ LYS 1 3HZ LYS 1 2.361 -1.825 -4.126 16 H ALA 2 H ALA 2 0.346 4.160 -5.671 17 HA ALA 2 HA ALA 2 0.441 3.478 -8.529 18 1HB ALA 2 1HB ALA 2 -1.601 4.371 -7.479 19 2HB ALA 2 2HB ALA 2 -0.747 5.871 -7.069 20 3HB ALA 2 3HB ALA 2 -1.006 5.423 -8.768 21 H THR 3 H THR 3 2.907 3.509 -8.189 22 HA THR 3 HA THR 3 4.427 5.693 -7.573 23 HB THR 3 HB THR 3 6.165 4.599 -9.115 24 HG1 THR 3 HG1 THR 3 4.567 3.734 -10.540 25 1HG2 THR 3 1HG2 THR 3 5.936 4.024 -6.740 26 2HG2 THR 3 2HG2 THR 3 4.698 2.806 -7.119 27 3HG2 THR 3 3HG2 THR 3 6.358 2.594 -7.706 28 H MET 4 H MET 4 4.623 7.668 -8.423 29 HA MET 4 HA MET 4 3.915 9.444 -9.647 30 1HB MET 4 1HB MET 4 6.253 8.715 -10.283 31 2HB MET 4 2HB MET 4 5.587 8.100 -11.800 32 1HG MET 4 1HG MET 4 4.844 10.345 -12.419 33 2HG MET 4 2HG MET 4 5.271 10.983 -10.831 34 1HE MET 4 1HE MET 4 7.683 11.532 -10.034 35 2HE MET 4 2HE MET 4 8.202 9.840 -10.248 36 3HE MET 4 3HE MET 4 9.150 11.155 -10.966 37 H GLN 5 H GLN 5 1.882 7.576 -9.681 38 HA GLN 5 HA GLN 5 0.476 8.271 -12.240 39 1HB GLN 5 1HB GLN 5 0.372 5.754 -10.555 40 2HB GLN 5 2HB GLN 5 -0.888 6.169 -11.720 41 1HG GLN 5 1HG GLN 5 0.522 5.903 -13.569 42 2HG GLN 5 2HG GLN 5 2.003 6.108 -12.631 43 1HE2 GLN 5 2HE2 GLN 5 2.650 4.435 -11.141 44 2HE2 GLN 5 1HE2 GLN 5 2.164 2.759 -11.423 45 H CYS 6 H CYS 6 0.303 7.763 -8.699 46 HA CYS 6 HA CYS 6 -0.691 9.059 -7.159 47 1HB CYS 6 1HB CYS 6 -0.693 10.896 -9.132 48 2HB CYS 6 2HB CYS 6 -2.445 10.659 -8.962 49 H GLY 7 H GLY 7 -3.183 9.789 -6.510 50 1HA GLY 7 1HA GLY 7 -4.992 7.580 -7.242 51 2HA GLY 7 2HA GLY 7 -4.373 7.664 -5.583 52 H GLU 8 H GLU 8 -6.476 7.949 -4.929 53 HA GLU 8 HA GLU 8 -8.372 9.781 -6.022 54 1HB GLU 8 1HB GLU 8 -8.377 8.321 -3.351 55 2HB GLU 8 2HB GLU 8 -9.754 9.139 -4.097 56 1HG GLU 8 1HG GLU 8 -9.590 7.581 -6.051 57 2HG GLU 8 2HG GLU 8 -8.270 6.720 -5.240 58 H ASN 9 H ASN 9 -7.568 11.868 -5.990 59 HA ASN 9 HA ASN 9 -7.476 13.949 -5.195 60 1HB ASN 9 1HB ASN 9 -9.597 13.117 -4.037 61 2HB ASN 9 2HB ASN 9 -8.650 12.966 -2.555 62 1HD2 ASN 9 2HD2 ASN 9 -7.366 15.055 -2.003 63 2HD2 ASN 9 1HD2 ASN 9 -8.372 16.510 -2.071 64 H GLU 10 H GLU 10 -5.191 12.683 -5.254 65 HA GLU 10 HA GLU 10 -3.669 13.551 -2.845 66 1HB GLU 10 1HB GLU 10 -2.943 11.190 -4.629 67 2HB GLU 10 2HB GLU 10 -2.244 11.667 -3.069 68 1HG GLU 10 1HG GLU 10 -4.571 11.263 -2.084 69 2HG GLU 10 2HG GLU 10 -4.951 10.432 -3.591 70 H LYS 11 H LYS 11 -1.320 13.958 -3.427 71 HA LYS 11 HA LYS 11 -0.897 14.891 -6.199 72 1HB LYS 11 1HB LYS 11 -1.786 16.789 -4.899 73 2HB LYS 11 2HB LYS 11 -0.534 16.547 -3.671 74 1HG LYS 11 1HG LYS 11 0.053 18.422 -5.046 75 2HG LYS 11 2HG LYS 11 1.215 17.138 -5.363 76 1HD LYS 11 1HD LYS 11 -0.068 16.569 -7.476 77 2HD LYS 11 2HD LYS 11 -1.222 17.853 -7.083 78 1HE LYS 11 1HE LYS 11 0.610 19.532 -7.209 79 2HE LYS 11 2HE LYS 11 1.771 18.241 -7.577 80 1HZ LYS 11 1HZ LYS 11 -0.549 18.977 -9.219 81 2HZ LYS 11 2HZ LYS 11 1.023 19.352 -9.539 82 3HZ LYS 11 3HZ LYS 11 0.532 17.779 -9.565 83 H TYR 12 H TYR 12 1.335 15.061 -6.732 84 HA TYR 12 HA TYR 12 2.705 12.805 -6.014 85 1HB TYR 12 1HB TYR 12 3.006 14.049 -8.119 86 2HB TYR 12 2HB TYR 12 3.975 15.244 -7.251 87 HD1 TYR 12 HD1 TYR 12 3.786 11.705 -8.386 88 HD2 TYR 12 HD2 TYR 12 6.251 14.667 -6.454 89 HE1 TYR 12 HE1 TYR 12 5.564 10.012 -8.034 90 HE2 TYR 12 HE2 TYR 12 7.990 12.956 -6.060 91 HH TYR 12 HH TYR 12 8.429 10.699 -6.048 92 H ASP 13 H ASP 13 4.185 12.120 -4.668 93 HA ASP 13 HA ASP 13 6.148 13.818 -3.474 94 1HB ASP 13 1HB ASP 13 4.349 14.323 -1.842 95 2HB ASP 13 2HB ASP 13 4.023 12.589 -1.657 96 H SER 14 H SER 14 7.949 12.440 -3.224 97 HA SER 14 HA SER 14 7.579 9.660 -3.837 98 1HB SER 14 1HB SER 14 10.105 11.009 -2.825 99 2HB SER 14 2HB SER 14 9.971 9.448 -3.667 100 HG SER 14 HG SER 14 10.558 11.377 -4.970 101 H CYS 15 H CYS 15 5.973 9.616 -1.876 102 HA CYS 15 HA CYS 15 7.169 9.890 0.701 103 1HB CYS 15 1HB CYS 15 5.187 10.186 1.537 104 2HB CYS 15 2HB CYS 15 4.756 10.442 -0.159 105 H GLY 16 H GLY 16 6.578 6.906 -1.186 106 1HA GLY 16 1HA GLY 16 7.597 4.907 -0.715 107 2HA GLY 16 2HA GLY 16 8.342 5.610 0.707 108 H SER 17 H SER 17 6.712 6.094 2.447 109 HA SER 17 HA SER 17 5.529 3.471 3.173 110 1HB SER 17 1HB SER 17 6.727 5.779 4.766 111 2HB SER 17 2HB SER 17 6.144 4.281 5.487 112 HG SER 17 HG SER 17 8.438 4.293 5.003 113 H LYS 18 H LYS 18 4.451 6.702 2.570 114 HA LYS 18 HA LYS 18 2.494 7.803 2.970 115 1HB LYS 18 1HB LYS 18 1.523 5.183 3.045 116 2HB LYS 18 2HB LYS 18 0.979 5.923 4.573 117 1HG LYS 18 1HG LYS 18 -0.729 6.293 3.057 118 2HG LYS 18 2HG LYS 18 0.114 7.847 3.228 119 1HD LYS 18 1HD LYS 18 1.217 7.501 1.065 120 2HD LYS 18 2HD LYS 18 0.449 5.905 0.891 121 1HE LYS 18 1HE LYS 18 -1.102 8.523 1.136 122 2HE LYS 18 2HE LYS 18 -0.546 7.874 -0.408 123 1HZ LYS 18 1HZ LYS 18 -2.254 6.373 1.431 124 2HZ LYS 18 2HZ LYS 18 -2.802 7.246 0.143 125 3HZ LYS 18 3HZ LYS 18 -1.811 5.947 -0.092 126 H GLU 19 H GLU 19 3.635 5.917 5.700 127 HA GLU 19 HA GLU 19 4.085 6.292 7.835 128 1HB GLU 19 1HB GLU 19 4.512 9.150 6.805 129 2HB GLU 19 2HB GLU 19 4.919 8.615 8.442 130 1HG GLU 19 1HG GLU 19 6.399 6.828 7.358 131 2HG GLU 19 2HG GLU 19 6.107 7.669 5.817 132 H CYS 20 H CYS 20 3.347 7.538 9.873 133 HA CYS 20 HA CYS 20 0.452 8.204 9.604 134 1HB CYS 20 1HB CYS 20 2.250 7.497 11.868 135 2HB CYS 20 2HB CYS 20 0.933 8.634 12.183 136 H ASP 21 H ASP 21 1.495 9.734 7.975 137 HA ASP 21 HA ASP 21 2.257 12.366 9.087 138 1HB ASP 21 1HB ASP 21 3.427 11.559 7.094 139 2HB ASP 21 2HB ASP 21 1.910 11.293 6.240 140 H LYS 22 H LYS 22 0.178 12.629 6.354 141 HA LYS 22 HA LYS 22 -1.929 13.691 8.068 142 1HB LYS 22 1HB LYS 22 -2.858 14.604 6.085 143 2HB LYS 22 2HB LYS 22 -1.120 14.894 6.206 144 1HG LYS 22 1HG LYS 22 -0.969 12.763 4.598 145 2HG LYS 22 2HG LYS 22 -2.648 13.192 4.256 146 1HD LYS 22 1HD LYS 22 -0.139 14.900 3.911 147 2HD LYS 22 2HD LYS 22 -1.202 14.299 2.634 148 1HE LYS 22 1HE LYS 22 -3.040 15.786 3.529 149 2HE LYS 22 2HE LYS 22 -1.898 16.437 4.713 150 1HZ LYS 22 1HZ LYS 22 -0.516 17.143 2.892 151 2HZ LYS 22 2HZ LYS 22 -1.626 16.577 1.808 152 3HZ LYS 22 3HZ LYS 22 -2.015 17.816 2.822 153 H LYS 23 H LYS 23 -1.884 11.265 8.871 154 HA LYS 23 HA LYS 23 -3.851 9.557 7.534 155 1HB LYS 23 1HB LYS 23 -3.725 8.117 9.358 156 2HB LYS 23 2HB LYS 23 -2.082 8.640 9.020 157 1HG LYS 23 1HG LYS 23 -3.854 9.581 11.350 158 2HG LYS 23 2HG LYS 23 -2.503 8.449 11.400 159 1HD LYS 23 1HD LYS 23 -1.023 10.291 10.534 160 2HD LYS 23 2HD LYS 23 -2.350 11.437 10.863 161 1HE LYS 23 1HE LYS 23 -2.290 10.833 13.243 162 2HE LYS 23 2HE LYS 23 -1.086 9.571 12.903 163 1HZ LYS 23 1HZ LYS 23 0.399 11.280 12.133 164 2HZ LYS 23 2HZ LYS 23 -0.666 12.447 12.612 165 3HZ LYS 23 3HZ LYS 23 0.007 11.417 13.724 166 H CYS 24 H CYS 24 -6.063 9.156 8.853 167 HA CYS 24 HA CYS 24 -7.273 11.699 9.411 168 1HB CYS 24 1HB CYS 24 -8.192 8.924 9.125 169 2HB CYS 24 2HB CYS 24 -9.097 9.799 10.327 170 H LYS 25 H LYS 25 -5.403 12.036 11.090 171 HA LYS 25 HA LYS 25 -4.961 12.852 13.111 172 1HB LYS 25 1HB LYS 25 -7.902 12.512 13.793 173 2HB LYS 25 2HB LYS 25 -6.751 13.672 14.456 174 1HG LYS 25 1HG LYS 25 -7.904 13.606 11.630 175 2HG LYS 25 2HG LYS 25 -8.220 14.773 12.914 176 1HD LYS 25 1HD LYS 25 -5.806 15.483 12.831 177 2HD LYS 25 2HD LYS 25 -5.535 14.337 11.510 178 1HE LYS 25 1HE LYS 25 -5.829 16.555 10.592 179 2HE LYS 25 2HE LYS 25 -7.169 15.508 10.088 180 1HZ LYS 25 1HZ LYS 25 -7.256 17.467 12.280 181 2HZ LYS 25 2HZ LYS 25 -7.895 17.679 10.776 182 3HZ LYS 25 3HZ LYS 25 -8.513 16.527 11.776 183 H TYR 26 H TYR 26 -7.326 10.293 13.856 184 HA TYR 26 HA TYR 26 -5.527 9.221 16.000 185 1HB TYR 26 1HB TYR 26 -7.869 8.602 17.033 186 2HB TYR 26 2HB TYR 26 -7.138 10.171 17.254 187 HD1 TYR 26 HD1 TYR 26 -9.593 8.501 14.925 188 HD2 TYR 26 HD2 TYR 26 -8.333 12.116 16.919 189 HE1 TYR 26 HE1 TYR 26 -11.634 9.657 14.141 190 HE2 TYR 26 HE2 TYR 26 -10.392 13.241 16.183 191 HH TYR 26 HH TYR 26 -12.285 13.058 14.818 192 H ASP 27 H ASP 27 -4.977 8.284 13.725 193 HA ASP 27 HA ASP 27 -6.490 6.128 12.588 194 1HB ASP 27 1HB ASP 27 -4.634 7.140 11.441 195 2HB ASP 27 2HB ASP 27 -3.521 6.657 12.743 196 H GLY 28 H GLY 28 -7.391 4.801 14.270 197 1HA GLY 28 1HA GLY 28 -7.343 2.911 15.543 198 2HA GLY 28 2HA GLY 28 -5.571 2.797 15.376 199 H VAL 29 H VAL 29 -7.495 5.576 16.379 200 HA VAL 29 HA VAL 29 -7.856 6.643 18.338 201 HB VAL 29 HB VAL 29 -6.358 4.488 19.873 202 1HG1 VAL 29 1HG1 VAL 29 -8.389 6.577 20.752 203 2HG1 VAL 29 2HG1 VAL 29 -7.684 5.311 21.775 204 3HG1 VAL 29 3HG1 VAL 29 -6.654 6.591 21.133 205 1HG2 VAL 29 1HG2 VAL 29 -8.337 3.490 18.653 206 2HG2 VAL 29 2HG2 VAL 29 -8.501 3.494 20.408 207 3HG2 VAL 29 3HG2 VAL 29 -9.363 4.703 19.450 208 H GLU 30 H GLU 30 -6.822 8.301 19.259 209 HA GLU 30 HA GLU 30 -4.121 8.976 18.498 210 1HB GLU 30 1HB GLU 30 -4.465 10.977 19.942 211 2HB GLU 30 2HB GLU 30 -5.605 10.809 18.639 212 1HG GLU 30 1HG GLU 30 -6.319 9.774 21.413 213 2HG GLU 30 2HG GLU 30 -6.400 11.495 21.044 214 H GLU 31 H GLU 31 -3.812 6.571 19.788 215 HA GLU 31 HA GLU 31 -2.752 7.002 22.502 216 1HB GLU 31 1HB GLU 31 -2.546 4.698 20.503 217 2HB GLU 31 2HB GLU 31 -1.846 4.696 22.129 218 1HG GLU 31 1HG GLU 31 -4.066 4.918 23.143 219 2HG GLU 31 2HG GLU 31 -4.815 5.076 21.549 220 H GLU 32 H GLU 32 -1.631 8.977 21.601 221 HA GLU 32 HA GLU 32 0.190 10.119 20.899 222 1HB GLU 32 1HB GLU 32 1.769 7.524 21.169 223 2HB GLU 32 2HB GLU 32 2.398 9.168 21.196 224 1HG GLU 32 1HG GLU 32 0.599 7.890 23.307 225 2HG GLU 32 2HG GLU 32 2.310 8.285 23.461 226 H ASP 33 H ASP 33 -1.526 9.206 18.937 227 HA ASP 33 HA ASP 33 -0.108 7.979 16.753 228 1HB ASP 33 1HB ASP 33 -2.579 7.865 17.103 229 2HB ASP 33 2HB ASP 33 -2.691 9.585 16.669 230 H ASP 34 H ASP 34 -0.445 11.282 17.851 231 HA ASP 34 HA ASP 34 -0.078 12.693 15.433 232 1HB ASP 34 1HB ASP 34 -0.816 13.780 17.480 233 2HB ASP 34 2HB ASP 34 0.726 13.430 18.276 234 H GLU 35 H GLU 35 2.345 11.611 17.822 235 HA GLU 35 HA GLU 35 4.599 12.588 16.238 236 1HB GLU 35 1HB GLU 35 5.940 11.437 18.029 237 2HB GLU 35 2HB GLU 35 4.942 12.796 18.533 238 1HG GLU 35 1HG GLU 35 3.862 9.972 18.821 239 2HG GLU 35 2HG GLU 35 5.034 10.605 19.974 240 H GLU 36 H GLU 36 3.662 11.370 14.420 241 HA GLU 36 HA GLU 36 3.123 9.294 13.417 242 1HB GLU 36 1HB GLU 36 5.963 9.820 12.533 243 2HB GLU 36 2HB GLU 36 4.539 9.254 11.637 244 1HG GLU 36 1HG GLU 36 3.563 11.614 12.103 245 2HG GLU 36 2HG GLU 36 5.192 12.049 12.622 246 HA PRO 37 HA PRO 37 5.302 5.979 15.763 247 1HB PRO 37 1HB PRO 37 2.531 4.800 15.423 248 2HB PRO 37 2HB PRO 37 3.640 4.674 16.822 249 1HG PRO 37 1HG PRO 37 1.577 6.403 16.896 250 2HG PRO 37 2HG PRO 37 3.194 6.996 17.379 251 1HD PRO 37 1HD PRO 37 1.869 7.274 14.652 252 2HD PRO 37 2HD PRO 37 2.578 8.538 15.694 253 H ASN 38 H ASN 38 6.238 6.142 13.391 254 HA ASN 38 HA ASN 38 5.134 4.440 11.306 255 1HB ASN 38 1HB ASN 38 7.780 5.914 11.514 256 2HB ASN 38 2HB ASN 38 7.111 5.184 10.043 257 1HD2 ASN 38 2HD2 ASN 38 7.793 7.988 10.303 258 2HD2 ASN 38 1HD2 ASN 38 6.312 8.913 10.186 259 H VAL 39 H VAL 39 5.378 2.803 13.348 260 HA VAL 39 HA VAL 39 7.082 0.726 12.200 261 HB VAL 39 HB VAL 39 7.138 1.303 15.200 262 1HG1 VAL 39 1HG1 VAL 39 8.189 -1.076 13.608 263 2HG1 VAL 39 2HG1 VAL 39 8.511 -0.751 15.324 264 3HG1 VAL 39 3HG1 VAL 39 6.867 -1.125 14.796 265 1HG2 VAL 39 1HG2 VAL 39 9.314 1.205 13.084 266 2HG2 VAL 39 2HG2 VAL 39 8.745 2.647 13.954 267 3HG2 VAL 39 3HG2 VAL 39 9.573 1.358 14.833 268 HA PRO 40 HA PRO 40 3.043 -1.080 14.025 269 1HB PRO 40 1HB PRO 40 1.320 0.527 15.444 270 2HB PRO 40 2HB PRO 40 2.576 -0.491 16.199 271 1HG PRO 40 1HG PRO 40 2.755 2.444 15.504 272 2HG PRO 40 2HG PRO 40 3.176 1.665 17.056 273 1HD PRO 40 1HD PRO 40 5.103 2.236 15.288 274 2HD PRO 40 2HD PRO 40 5.117 0.661 16.121 275 H CYS 41 H CYS 41 3.041 2.473 13.294 276 HA CYS 41 HA CYS 41 0.927 2.187 11.266 277 1HB CYS 41 1HB CYS 41 1.375 4.239 12.653 278 2HB CYS 41 2HB CYS 41 2.822 4.536 11.702 279 H LEU 42 H LEU 42 2.270 0.252 10.619 280 HA LEU 42 HA LEU 42 4.814 0.474 9.541 281 1HB LEU 42 1HB LEU 42 3.654 -1.614 10.295 282 2HB LEU 42 2HB LEU 42 2.623 -1.537 8.863 283 HG LEU 42 HG LEU 42 4.622 -1.841 7.409 284 1HD1 LEU 42 1HD1 LEU 42 6.105 -2.073 10.074 285 2HD1 LEU 42 2HD1 LEU 42 6.767 -2.585 8.508 286 3HD1 LEU 42 3HD1 LEU 42 6.417 -0.880 8.793 287 1HD2 LEU 42 1HD2 LEU 42 3.303 -3.778 8.182 288 2HD2 LEU 42 2HD2 LEU 42 5.016 -4.196 7.995 289 3HD2 LEU 42 3HD2 LEU 42 4.343 -3.920 9.616 290 H VAL 43 H VAL 43 5.593 0.956 7.613 291 HA VAL 43 HA VAL 43 4.812 2.530 5.741 292 HB VAL 43 HB VAL 43 6.312 1.591 4.089 293 1HG1 VAL 43 1HG1 VAL 43 7.197 2.498 6.363 294 2HG1 VAL 43 2HG1 VAL 43 7.465 0.807 6.804 295 3HG1 VAL 43 3HG1 VAL 43 8.293 1.493 5.401 296 1HG2 VAL 43 1HG2 VAL 43 6.109 -1.017 5.655 297 2HG2 VAL 43 2HG2 VAL 43 5.813 -0.753 3.919 298 3HG2 VAL 43 3HG2 VAL 43 7.444 -0.632 4.553 299 H ARG 44 H ARG 44 2.827 2.866 4.985 300 HA ARG 44 HA ARG 44 1.100 0.637 4.217 301 1HB ARG 44 1HB ARG 44 0.634 2.837 5.590 302 2HB ARG 44 2HB ARG 44 0.335 3.557 4.012 303 1HG ARG 44 1HG ARG 44 -1.419 1.907 3.556 304 2HG ARG 44 2HG ARG 44 -1.053 1.052 5.067 305 1HD ARG 44 1HD ARG 44 -2.083 3.917 4.877 306 2HD ARG 44 2HD ARG 44 -3.042 2.488 5.312 307 HE ARG 44 HE ARG 44 -0.770 2.659 7.019 308 1HH1 ARG 44 1HH1 ARG 44 -4.004 4.125 6.559 309 2HH1 ARG 44 2HH1 ARG 44 -4.072 4.698 8.198 310 1HH2 ARG 44 1HH2 ARG 44 -0.889 3.460 9.125 311 2HH2 ARG 44 2HH2 ARG 44 -2.317 4.260 9.701 312 H VAL 45 H VAL 45 3.107 0.466 2.653 313 HA VAL 45 HA VAL 45 4.224 1.069 0.677 314 HB VAL 45 HB VAL 45 3.155 -0.457 -1.006 315 1HG1 VAL 45 1HG1 VAL 45 4.810 -1.166 0.703 316 2HG1 VAL 45 2HG1 VAL 45 3.497 -1.501 1.844 317 3HG1 VAL 45 3HG1 VAL 45 3.632 -2.443 0.346 318 1HG2 VAL 45 1HG2 VAL 45 0.752 -0.132 -0.299 319 2HG2 VAL 45 2HG2 VAL 45 1.267 -1.828 -0.322 320 3HG2 VAL 45 3HG2 VAL 45 1.120 -0.970 1.219 321 H CYS 46 H CYS 46 3.925 3.361 0.710 322 HA CYS 46 HA CYS 46 1.952 4.583 -1.121 323 1HB CYS 46 1HB CYS 46 2.699 5.796 0.808 324 2HB CYS 46 2HB CYS 46 4.371 5.611 0.379 325 H HIS 47 H HIS 47 5.423 3.822 -0.968 326 HA HIS 47 HA HIS 47 7.113 3.928 -2.475 327 1HB HIS 47 1HB HIS 47 4.950 3.110 -4.436 328 2HB HIS 47 2HB HIS 47 6.687 3.164 -4.783 329 HD1 HIS 47 HD1 HIS 47 8.302 1.786 -3.076 330 HD2 HIS 47 HD2 HIS 47 4.173 1.176 -2.718 331 HE1 HIS 47 HE1 HIS 47 7.998 0.130 -1.231 332 H GLN 48 H GLN 48 7.555 4.967 -4.813 333 HA GLN 48 HA GLN 48 7.595 7.720 -4.339 334 1HB GLN 48 1HB GLN 48 8.329 6.182 -6.851 335 2HB GLN 48 2HB GLN 48 8.829 7.831 -6.432 336 1HG GLN 48 1HG GLN 48 9.887 6.878 -4.304 337 2HG GLN 48 2HG GLN 48 9.512 5.254 -4.862 338 1HE2 GLN 48 2HE2 GLN 48 10.986 8.238 -6.353 339 2HE2 GLN 48 1HE2 GLN 48 12.340 7.353 -7.030 340 H ASP 49 H ASP 49 5.227 7.823 -4.045 341 HA ASP 49 HA ASP 49 3.584 8.053 -6.533 342 1HB ASP 49 1HB ASP 49 3.331 6.014 -5.204 343 2HB ASP 49 2HB ASP 49 2.983 6.959 -3.758 344 H CYS 50 H CYS 50 1.951 8.727 -3.561 345 HA CYS 50 HA CYS 50 2.119 11.629 -3.885 346 1HB CYS 50 1HB CYS 50 -0.309 9.916 -4.654 347 2HB CYS 50 2HB CYS 50 -0.413 11.616 -4.206 348 H VAL 51 H VAL 51 0.647 12.686 -2.345 349 HA VAL 51 HA VAL 51 -0.351 11.003 -0.117 350 HB VAL 51 HB VAL 51 0.409 12.695 1.528 351 1HG1 VAL 51 1HG1 VAL 51 1.678 10.620 1.208 352 2HG1 VAL 51 2HG1 VAL 51 2.681 11.407 -0.025 353 3HG1 VAL 51 3HG1 VAL 51 2.747 11.961 1.657 354 1HG2 VAL 51 1HG2 VAL 51 2.085 13.837 -0.753 355 2HG2 VAL 51 2HG2 VAL 51 0.728 14.648 0.054 356 3HG2 VAL 51 3HG2 VAL 51 2.206 14.282 0.957 357 H CYS 52 H CYS 52 -2.019 12.241 1.133 358 HA CYS 52 HA CYS 52 -4.020 13.103 -0.577 359 1HB CYS 52 1HB CYS 52 -3.732 13.970 2.325 360 2HB CYS 52 2HB CYS 52 -5.201 13.905 1.367 361 H GLU 53 H GLU 53 -4.940 15.106 -1.164 362 HA GLU 53 HA GLU 53 -3.222 17.416 -1.306 363 1HB GLU 53 1HB GLU 53 -6.239 17.135 -1.523 364 2HB GLU 53 2HB GLU 53 -5.355 18.616 -1.895 365 1HG GLU 53 1HG GLU 53 -4.152 17.561 -3.710 366 2HG GLU 53 2HG GLU 53 -4.779 15.964 -3.289 367 H GLU 54 H GLU 54 -3.463 19.437 -0.171 368 HA GLU 54 HA GLU 54 -3.484 19.225 2.628 369 1HB GLU 54 1HB GLU 54 -4.077 21.722 0.979 370 2HB GLU 54 2HB GLU 54 -3.500 21.666 2.648 371 1HG GLU 54 1HG GLU 54 -1.961 20.828 0.149 372 2HG GLU 54 2HG GLU 54 -1.632 22.192 1.213 373 H GLY 55 H GLY 55 -5.030 19.179 4.146 374 1HA GLY 55 1HA GLY 55 -7.084 19.756 5.141 375 2HA GLY 55 2HA GLY 55 -7.782 20.159 3.572 376 H PHE 56 H PHE 56 -6.386 17.390 2.685 377 HA PHE 56 HA PHE 56 -8.684 15.679 3.508 378 1HB PHE 56 1HB PHE 56 -6.762 15.470 1.173 379 2HB PHE 56 2HB PHE 56 -8.021 14.316 1.583 380 HD1 PHE 56 HD1 PHE 56 -7.471 17.929 0.657 381 HD2 PHE 56 HD2 PHE 56 -10.147 14.545 0.579 382 HE1 PHE 56 HE1 PHE 56 -8.964 19.143 -0.881 383 HE2 PHE 56 HE2 PHE 56 -11.644 15.768 -0.944 384 HZ PHE 56 HZ PHE 56 -11.080 18.081 -1.668 385 H TYR 57 H TYR 57 -8.231 13.602 4.338 386 HA TYR 57 HA TYR 57 -5.466 13.071 5.260 387 1HB TYR 57 1HB TYR 57 -8.022 13.152 6.914 388 2HB TYR 57 2HB TYR 57 -6.448 12.600 7.486 389 HD1 TYR 57 HD1 TYR 57 -4.565 14.182 7.742 390 HD2 TYR 57 HD2 TYR 57 -8.523 15.534 6.731 391 HE1 TYR 57 HE1 TYR 57 -3.870 16.541 8.160 392 HE2 TYR 57 HE2 TYR 57 -7.858 17.869 7.203 393 HH TYR 57 HH TYR 57 -6.138 19.283 7.809 394 H ARG 58 H ARG 58 -5.093 10.859 5.727 395 HA ARG 58 HA ARG 58 -6.650 9.102 4.031 396 1HB ARG 58 1HB ARG 58 -4.548 8.202 6.007 397 2HB ARG 58 2HB ARG 58 -5.148 7.385 4.566 398 1HG ARG 58 1HG ARG 58 -4.300 9.306 3.187 399 2HG ARG 58 2HG ARG 58 -3.513 9.959 4.648 400 1HD ARG 58 1HD ARG 58 -2.943 7.441 3.104 401 2HD ARG 58 2HD ARG 58 -1.862 8.756 3.500 402 HE ARG 58 HE ARG 58 -2.853 6.531 5.249 403 1HH1 ARG 58 1HH1 ARG 58 -0.750 9.405 5.065 404 2HH1 ARG 58 2HH1 ARG 58 0.411 8.714 6.191 405 1HH2 ARG 58 1HH2 ARG 58 -1.411 5.817 6.892 406 2HH2 ARG 58 2HH2 ARG 58 -0.045 6.848 7.307 407 H ASN 59 H ASN 59 -8.698 8.648 4.687 408 HA ASN 59 HA ASN 59 -9.351 7.866 7.440 409 1HB ASN 59 1HB ASN 59 -11.059 8.867 6.084 410 2HB ASN 59 2HB ASN 59 -10.902 7.600 4.843 411 1HD2 ASN 59 2HD2 ASN 59 -12.252 5.788 5.093 412 2HD2 ASN 59 1HD2 ASN 59 -12.904 5.306 6.660 413 H LYS 60 H LYS 60 -8.146 6.329 4.563 414 HA LYS 60 HA LYS 60 -7.694 3.823 6.116 415 1HB LYS 60 1HB LYS 60 -8.626 3.987 3.225 416 2HB LYS 60 2HB LYS 60 -7.943 2.546 3.965 417 1HG LYS 60 1HG LYS 60 -10.473 3.911 4.998 418 2HG LYS 60 2HG LYS 60 -10.457 2.629 3.777 419 1HD LYS 60 1HD LYS 60 -9.231 1.142 5.399 420 2HD LYS 60 2HD LYS 60 -9.445 2.395 6.635 421 1HE LYS 60 1HE LYS 60 -11.928 2.239 6.319 422 2HE LYS 60 2HE LYS 60 -11.680 0.961 5.120 423 1HZ LYS 60 1HZ LYS 60 -10.875 0.821 7.939 424 2HZ LYS 60 2HZ LYS 60 -12.185 0.084 7.270 425 3HZ LYS 60 3HZ LYS 60 -10.667 -0.366 6.816 426 H ASP 61 H ASP 61 -6.972 5.233 2.926 427 HA ASP 61 HA ASP 61 -4.124 5.477 3.417 428 1HB ASP 61 1HB ASP 61 -4.241 3.041 3.279 429 2HB ASP 61 2HB ASP 61 -5.219 3.122 1.816 430 H ASP 62 H ASP 62 -5.651 4.343 0.421 431 HA ASP 62 HA ASP 62 -5.013 6.732 -1.076 432 1HB ASP 62 1HB ASP 62 -6.222 5.677 -2.863 433 2HB ASP 62 2HB ASP 62 -5.228 4.438 -2.082 434 H LYS 63 H LYS 63 -7.702 5.545 0.845 435 HA LYS 63 HA LYS 63 -9.655 7.385 -0.033 436 1HB LYS 63 1HB LYS 63 -9.502 6.002 2.661 437 2HB LYS 63 2HB LYS 63 -10.930 6.720 1.935 438 1HG LYS 63 1HG LYS 63 -9.415 4.250 0.970 439 2HG LYS 63 2HG LYS 63 -11.022 4.313 1.681 440 1HD LYS 63 1HD LYS 63 -10.206 5.421 -1.044 441 2HD LYS 63 2HD LYS 63 -11.114 3.949 -0.731 442 1HE LYS 63 1HE LYS 63 -12.953 5.296 0.304 443 2HE LYS 63 2HE LYS 63 -12.062 6.782 -0.090 444 1HZ LYS 63 1HZ LYS 63 -12.164 6.179 -2.382 445 2HZ LYS 63 2HZ LYS 63 -13.022 4.813 -2.035 446 3HZ LYS 63 3HZ LYS 63 -13.679 6.296 -1.737 447 H CYS 64 H CYS 64 -8.184 9.231 -0.134 448 HA CYS 64 HA CYS 64 -7.551 10.738 2.287 449 1HB CYS 64 1HB CYS 64 -7.364 11.256 -0.680 450 2HB CYS 64 2HB CYS 64 -6.971 12.487 0.506 451 H VAL 65 H VAL 65 -9.326 11.537 3.370 452 HA VAL 65 HA VAL 65 -11.387 13.064 1.848 453 HB VAL 65 HB VAL 65 -13.091 12.039 3.390 454 1HG1 VAL 65 1HG1 VAL 65 -12.885 11.404 0.999 455 2HG1 VAL 65 2HG1 VAL 65 -11.751 10.110 1.444 456 3HG1 VAL 65 3HG1 VAL 65 -13.430 10.056 2.013 457 1HG2 VAL 65 1HG2 VAL 65 -11.523 11.039 5.055 458 2HG2 VAL 65 2HG2 VAL 65 -12.610 9.826 4.336 459 3HG2 VAL 65 3HG2 VAL 65 -10.930 9.917 3.814 460 H SER 66 H SER 66 -12.490 14.663 3.160 461 HA SER 66 HA SER 66 -10.698 16.254 4.451 462 1HB SER 66 1HB SER 66 -13.677 16.240 4.963 463 2HB SER 66 2HB SER 66 -12.601 17.650 4.868 464 HG SER 66 HG SER 66 -12.292 17.121 2.629 465 H ALA 67 H ALA 67 -10.514 17.039 6.623 466 HA ALA 67 HA ALA 67 -10.399 15.371 8.823 467 1HB ALA 67 1HB ALA 67 -11.228 18.302 8.777 468 2HB ALA 67 2HB ALA 67 -10.669 17.404 10.204 469 3HB ALA 67 3HB ALA 67 -9.567 17.674 8.843 470 H GLU 68 H GLU 68 -13.190 17.125 7.600 471 HA GLU 68 HA GLU 68 -15.178 16.671 9.449 472 1HB GLU 68 1HB GLU 68 -15.573 16.395 6.438 473 2HB GLU 68 2HB GLU 68 -16.740 16.923 7.653 474 1HG GLU 68 1HG GLU 68 -15.262 18.922 8.125 475 2HG GLU 68 2HG GLU 68 -14.227 18.449 6.766 476 H ASP 69 H ASP 69 -13.977 14.331 6.986 477 HA ASP 69 HA ASP 69 -16.001 12.330 7.567 478 1HB ASP 69 1HB ASP 69 -14.877 12.398 5.389 479 2HB ASP 69 2HB ASP 69 -13.312 12.105 6.169 480 H CYS 70 H CYS 70 -12.596 12.937 8.519 481 HA CYS 70 HA CYS 70 -12.174 10.644 10.102 482 1HB CYS 70 1HB CYS 70 -11.185 13.418 10.836 483 2HB CYS 70 2HB CYS 70 -10.468 11.863 11.243 484 H GLU 71 H GLU 71 -13.528 13.825 10.970 485 HA GLU 71 HA GLU 71 -14.239 13.215 13.671 486 1HB GLU 71 1HB GLU 71 -15.366 15.285 11.746 487 2HB GLU 71 2HB GLU 71 -15.649 15.259 13.488 488 1HG GLU 71 1HG GLU 71 -12.902 15.552 12.207 489 2HG GLU 71 2HG GLU 71 -13.911 16.875 12.797 490 H LEU 72 H LEU 72 -15.730 12.032 10.761 491 HA LEU 72 HA LEU 72 -18.398 11.900 12.001 492 1HB LEU 72 1HB LEU 72 -18.227 12.712 9.711 493 2HB LEU 72 2HB LEU 72 -17.298 11.286 9.233 494 HG LEU 72 HG LEU 72 -19.133 9.835 9.710 495 1HD1 LEU 72 1HD1 LEU 72 -20.629 12.425 10.368 496 2HD1 LEU 72 2HD1 LEU 72 -21.452 10.880 10.046 497 3HD1 LEU 72 3HD1 LEU 72 -20.386 11.034 11.447 498 1HD2 LEU 72 1HD2 LEU 72 -18.819 10.794 7.456 499 2HD2 LEU 72 2HD2 LEU 72 -20.549 10.555 7.779 500 3HD2 LEU 72 3HD2 LEU 72 -19.836 12.183 7.889 501 H ASP 73 H ASP 73 -15.723 9.906 10.676 502 HA ASP 73 HA ASP 73 -16.665 7.348 11.530 503 1HB ASP 73 1HB ASP 73 -14.754 7.592 10.022 504 2HB ASP 73 2HB ASP 73 -13.842 8.455 11.268 505 H ASN 74 H ASN 74 -14.692 9.806 13.129 506 HA ASN 74 HA ASN 74 -13.705 9.730 15.225 507 1HB ASN 74 1HB ASN 74 -15.208 11.565 14.970 508 2HB ASN 74 2HB ASN 74 -16.586 10.615 15.549 509 1HD2 ASN 74 2HD2 ASN 74 -13.319 11.802 16.431 510 2HD2 ASN 74 1HD2 ASN 74 -13.642 11.934 18.162 511 H MET 75 H MET 75 -16.932 8.363 15.932 512 HA MET 75 HA MET 75 -16.304 7.374 18.506 513 1HB MET 75 1HB MET 75 -18.349 6.371 16.467 514 2HB MET 75 2HB MET 75 -18.270 5.895 18.161 515 1HG MET 75 1HG MET 75 -19.953 7.518 18.066 516 2HG MET 75 2HG MET 75 -18.569 8.281 18.839 517 1HE MET 75 1HE MET 75 -20.780 8.025 15.602 518 2HE MET 75 2HE MET 75 -20.082 9.303 14.579 519 3HE MET 75 3HE MET 75 -19.161 7.820 14.880 520 H ASP 76 H ASP 76 -15.884 5.925 15.303 521 HA ASP 76 HA ASP 76 -15.049 3.300 16.297 522 1HB ASP 76 1HB ASP 76 -16.140 3.384 14.185 523 2HB ASP 76 2HB ASP 76 -15.087 4.669 13.598 524 H PHE 77 H PHE 77 -13.486 6.364 15.979 525 HA PHE 77 HA PHE 77 -11.377 7.095 15.855 526 1HB PHE 77 1HB PHE 77 -11.038 4.731 17.723 527 2HB PHE 77 2HB PHE 77 -9.819 5.969 17.458 528 HD1 PHE 77 HD1 PHE 77 -10.224 8.367 18.037 529 HD2 PHE 77 HD2 PHE 77 -12.987 5.244 19.138 530 HE1 PHE 77 HE1 PHE 77 -11.337 9.912 19.611 531 HE2 PHE 77 HE2 PHE 77 -14.135 6.807 20.674 532 HZ PHE 77 HZ PHE 77 -13.318 9.147 20.917 533 H ILE 78 H ILE 78 -11.982 5.730 13.600 534 HA ILE 78 HA ILE 78 -11.059 4.785 11.752 535 HB ILE 78 HB ILE 78 -8.612 6.158 12.882 536 1HG1 ILE 78 1HG1 ILE 78 -10.635 7.653 12.929 537 2HG1 ILE 78 2HG1 ILE 78 -9.260 8.215 12.009 538 1HG2 ILE 78 1HG2 ILE 78 -9.423 5.604 9.991 539 2HG2 ILE 78 2HG2 ILE 78 -8.069 6.642 10.475 540 3HG2 ILE 78 3HG2 ILE 78 -8.026 4.917 10.828 541 1HD1 ILE 78 1HD1 ILE 78 -11.627 6.831 10.693 542 2HD1 ILE 78 2HD1 ILE 78 -11.525 8.585 10.945 543 3HD1 ILE 78 3HD1 ILE 78 -10.346 7.764 9.912 544 H TYR 79 H TYR 79 -11.458 2.886 13.260 545 HA TYR 79 HA TYR 79 -10.938 0.892 14.171 546 1HB TYR 79 1HB TYR 79 -9.820 -0.352 11.906 547 2HB TYR 79 2HB TYR 79 -11.492 -0.225 12.394 548 HD1 TYR 79 HD1 TYR 79 -8.829 1.574 10.490 549 HD2 TYR 79 HD2 TYR 79 -13.062 1.047 11.123 550 HE1 TYR 79 HE1 TYR 79 -9.295 3.356 8.856 551 HE2 TYR 79 HE2 TYR 79 -13.528 2.800 9.436 552 HH TYR 79 HH TYR 79 -10.923 4.649 7.861 553 HA PRO 80 HA PRO 80 -6.477 0.690 15.291 554 1HB PRO 80 1HB PRO 80 -6.704 -0.681 17.622 555 2HB PRO 80 2HB PRO 80 -7.140 1.040 17.480 556 1HG PRO 80 1HG PRO 80 -8.990 -1.352 17.340 557 2HG PRO 80 2HG PRO 80 -9.179 0.117 18.342 558 1HD PRO 80 1HD PRO 80 -10.421 -0.206 15.947 559 2HD PRO 80 2HD PRO 80 -9.842 1.407 16.463 560 H GLY 81 H GLY 81 -6.828 -0.541 13.228 561 1HA GLY 81 1HA GLY 81 -6.100 -3.431 13.516 562 2HA GLY 81 2HA GLY 81 -7.043 -2.763 12.172 563 H THR 82 H THR 82 -5.596 -0.234 11.876 564 HA THR 82 HA THR 82 -3.224 -0.987 10.405 565 HB THR 82 HB THR 82 -3.047 1.609 10.474 566 HG1 THR 82 HG1 THR 82 -5.035 2.585 11.244 567 1HG2 THR 82 1HG2 THR 82 -5.659 0.399 9.444 568 2HG2 THR 82 2HG2 THR 82 -4.947 1.944 8.936 569 3HG2 THR 82 3HG2 THR 82 -4.110 0.425 8.572 570 H ARG 83 H ARG 83 -3.505 1.417 12.978 571 HA ARG 83 HA ARG 83 -1.028 0.464 14.324 572 1HB ARG 83 1HB ARG 83 -2.952 2.749 14.898 573 2HB ARG 83 2HB ARG 83 -1.576 2.309 15.922 574 1HG ARG 83 1HG ARG 83 -0.012 2.665 14.059 575 2HG ARG 83 2HG ARG 83 -1.353 3.089 12.978 576 1HD ARG 83 1HD ARG 83 -0.186 5.096 13.906 577 2HD ARG 83 2HD ARG 83 -1.879 5.061 14.298 578 HE ARG 83 HE ARG 83 0.473 4.515 16.056 579 1HH1 ARG 83 1HH1 ARG 83 -3.057 4.989 15.897 580 2HH1 ARG 83 2HH1 ARG 83 -3.207 5.484 17.548 581 1HH2 ARG 83 1HH2 ARG 83 0.318 5.072 18.179 582 2HH2 ARG 83 2HH2 ARG 83 -1.155 5.552 18.925 583 H ASN 84 H ASN 84 -2.290 -1.693 14.414 584 HA ASN 84 HA ASN 84 -4.322 -1.943 16.453 585 1HB ASN 84 1HB ASN 84 -4.025 -3.644 14.706 586 2HB ASN 84 2HB ASN 84 -2.411 -4.021 15.325 587 1HD2 ASN 84 2HD2 ASN 84 -5.856 -3.751 16.471 588 2HD2 ASN 84 1HD2 ASN 84 -5.725 -5.129 17.560 589 HA PRO 85 HA PRO 85 -1.177 -1.223 19.616 590 1HB PRO 85 1HB PRO 85 -2.696 -1.269 21.882 591 2HB PRO 85 2HB PRO 85 -2.772 0.063 20.695 592 1HG PRO 85 1HG PRO 85 -4.628 -2.325 20.896 593 2HG PRO 85 2HG PRO 85 -5.074 -0.596 20.776 594 1HD PRO 85 1HD PRO 85 -5.011 -2.225 18.597 595 2HD PRO 85 2HD PRO 85 -4.477 -0.516 18.488 Start of MODEL 18 1 1H LYS 1 1H LYS 1 -6.806 13.257 -10.140 2 2H LYS 1 2H LYS 1 -7.566 13.554 -8.696 3 3H LYS 1 3H LYS 1 -6.706 14.745 -9.458 4 HA LYS 1 HA LYS 1 -5.458 13.950 -7.653 5 1HB LYS 1 1HB LYS 1 -4.782 11.638 -7.474 6 2HB LYS 1 2HB LYS 1 -6.545 11.725 -7.598 7 1HG LYS 1 1HG LYS 1 -6.403 11.075 -9.999 8 2HG LYS 1 2HG LYS 1 -4.631 11.014 -9.870 9 1HD LYS 1 1HD LYS 1 -4.879 9.297 -8.036 10 2HD LYS 1 2HD LYS 1 -6.613 9.268 -8.348 11 1HE LYS 1 1HE LYS 1 -6.223 8.534 -10.667 12 2HE LYS 1 2HE LYS 1 -4.464 8.675 -10.452 13 1HZ LYS 1 1HZ LYS 1 -6.154 6.878 -8.869 14 2HZ LYS 1 2HZ LYS 1 -5.315 6.419 -10.221 15 3HZ LYS 1 3HZ LYS 1 -4.517 6.943 -8.876 16 H ALA 2 H ALA 2 -3.030 13.329 -7.851 17 HA ALA 2 HA ALA 2 -1.920 14.517 -10.264 18 1HB ALA 2 1HB ALA 2 -0.572 12.827 -8.132 19 2HB ALA 2 2HB ALA 2 0.257 13.667 -9.453 20 3HB ALA 2 3HB ALA 2 -0.623 14.611 -8.243 21 H THR 3 H THR 3 -1.670 13.578 -12.254 22 HA THR 3 HA THR 3 -2.463 10.836 -12.708 23 HB THR 3 HB THR 3 -1.890 11.510 -15.073 24 HG1 THR 3 HG1 THR 3 -0.247 12.952 -14.516 25 1HG2 THR 3 1HG2 THR 3 -4.159 11.943 -14.151 26 2HG2 THR 3 2HG2 THR 3 -3.620 13.524 -13.547 27 3HG2 THR 3 3HG2 THR 3 -3.656 13.206 -15.291 28 H MET 4 H MET 4 -0.747 10.089 -11.133 29 HA MET 4 HA MET 4 1.591 9.084 -12.627 30 1HB MET 4 1HB MET 4 1.824 10.431 -9.883 31 2HB MET 4 2HB MET 4 3.131 9.633 -10.775 32 1HG MET 4 1HG MET 4 2.889 11.323 -12.589 33 2HG MET 4 2HG MET 4 1.729 12.195 -11.569 34 1HE MET 4 1HE MET 4 4.312 13.538 -12.831 35 2HE MET 4 2HE MET 4 3.140 14.403 -11.804 36 3HE MET 4 3HE MET 4 4.880 14.492 -11.441 37 H GLN 5 H GLN 5 2.689 7.738 -10.373 38 HA GLN 5 HA GLN 5 0.739 5.652 -9.798 39 1HB GLN 5 1HB GLN 5 3.411 6.286 -8.451 40 2HB GLN 5 2HB GLN 5 2.480 4.790 -8.305 41 1HG GLN 5 1HG GLN 5 3.849 5.860 -10.815 42 2HG GLN 5 2HG GLN 5 4.328 4.460 -9.856 43 1HE2 GLN 5 2HE2 GLN 5 2.272 2.845 -9.524 44 2HE2 GLN 5 1HE2 GLN 5 1.482 2.466 -11.045 45 H CYS 6 H CYS 6 -1.059 6.520 -8.817 46 HA CYS 6 HA CYS 6 -0.796 7.861 -6.201 47 1HB CYS 6 1HB CYS 6 -0.871 9.366 -8.485 48 2HB CYS 6 2HB CYS 6 -2.596 9.088 -8.298 49 H GLY 7 H GLY 7 -2.747 7.588 -4.924 50 1HA GLY 7 1HA GLY 7 -4.374 5.302 -5.813 51 2HA GLY 7 2HA GLY 7 -4.292 6.014 -4.205 52 H GLU 8 H GLU 8 -5.866 7.444 -3.582 53 HA GLU 8 HA GLU 8 -8.080 7.882 -5.497 54 1HB GLU 8 1HB GLU 8 -8.320 6.830 -3.189 55 2HB GLU 8 2HB GLU 8 -7.947 8.408 -2.526 56 1HG GLU 8 1HG GLU 8 -10.017 8.953 -4.390 57 2HG GLU 8 2HG GLU 8 -10.418 7.336 -3.827 58 H ASN 9 H ASN 9 -8.576 10.220 -3.309 59 HA ASN 9 HA ASN 9 -7.864 12.462 -5.048 60 1HB ASN 9 1HB ASN 9 -9.946 12.468 -3.838 61 2HB ASN 9 2HB ASN 9 -9.134 12.165 -2.304 62 1HD2 ASN 9 2HD2 ASN 9 -9.650 13.993 -1.139 63 2HD2 ASN 9 1HD2 ASN 9 -9.129 15.600 -1.674 64 H GLU 10 H GLU 10 -5.615 11.725 -5.118 65 HA GLU 10 HA GLU 10 -3.971 12.753 -2.838 66 1HB GLU 10 1HB GLU 10 -3.764 10.261 -4.598 67 2HB GLU 10 2HB GLU 10 -2.414 10.930 -3.684 68 1HG GLU 10 1HG GLU 10 -3.786 10.785 -1.606 69 2HG GLU 10 2HG GLU 10 -4.921 9.754 -2.510 70 H LYS 11 H LYS 11 -1.743 13.217 -3.389 71 HA LYS 11 HA LYS 11 -1.246 14.011 -6.172 72 1HB LYS 11 1HB LYS 11 -0.410 16.192 -5.480 73 2HB LYS 11 2HB LYS 11 -2.151 16.011 -5.203 74 1HG LYS 11 1HG LYS 11 -1.700 15.506 -2.780 75 2HG LYS 11 2HG LYS 11 0.018 15.775 -3.047 76 1HD LYS 11 1HD LYS 11 -2.258 17.782 -3.388 77 2HD LYS 11 2HD LYS 11 -1.069 17.745 -2.077 78 1HE LYS 11 1HE LYS 11 -0.520 18.413 -5.003 79 2HE LYS 11 2HE LYS 11 -0.446 19.499 -3.616 80 1HZ LYS 11 1HZ LYS 11 1.361 18.184 -2.753 81 2HZ LYS 11 2HZ LYS 11 1.314 17.191 -4.067 82 3HZ LYS 11 3HZ LYS 11 1.717 18.776 -4.250 83 H TYR 12 H TYR 12 0.954 14.264 -6.672 84 HA TYR 12 HA TYR 12 2.446 12.108 -5.650 85 1HB TYR 12 1HB TYR 12 2.535 12.946 -7.964 86 2HB TYR 12 2HB TYR 12 3.379 14.391 -7.402 87 HD1 TYR 12 HD1 TYR 12 3.595 10.682 -7.760 88 HD2 TYR 12 HD2 TYR 12 5.727 14.295 -6.761 89 HE1 TYR 12 HE1 TYR 12 5.668 9.372 -7.426 90 HE2 TYR 12 HE2 TYR 12 7.774 12.981 -6.380 91 HH TYR 12 HH TYR 12 8.487 10.845 -5.868 92 H ASP 13 H ASP 13 4.104 11.860 -4.266 93 HA ASP 13 HA ASP 13 5.652 14.075 -3.237 94 1HB ASP 13 1HB ASP 13 3.703 14.437 -1.793 95 2HB ASP 13 2HB ASP 13 3.589 12.690 -1.480 96 H SER 14 H SER 14 7.609 13.020 -3.338 97 HA SER 14 HA SER 14 7.830 10.198 -3.280 98 1HB SER 14 1HB SER 14 10.024 12.252 -2.818 99 2HB SER 14 2HB SER 14 10.222 10.579 -3.369 100 HG SER 14 HG SER 14 10.212 12.317 -5.018 101 H CYS 15 H CYS 15 6.531 9.953 -1.177 102 HA CYS 15 HA CYS 15 8.506 9.031 0.673 103 1HB CYS 15 1HB CYS 15 7.868 11.595 1.303 104 2HB CYS 15 2HB CYS 15 6.643 10.763 2.225 105 H GLY 16 H GLY 16 6.497 7.728 -0.918 106 1HA GLY 16 1HA GLY 16 5.774 5.565 -0.230 107 2HA GLY 16 2HA GLY 16 5.490 6.104 1.407 108 H SER 17 H SER 17 3.974 5.023 -1.243 109 HA SER 17 HA SER 17 1.724 6.376 -1.825 110 1HB SER 17 1HB SER 17 1.719 3.420 -1.113 111 2HB SER 17 2HB SER 17 0.948 4.240 -2.485 112 HG SER 17 HG SER 17 2.871 3.112 -3.084 113 H LYS 18 H LYS 18 0.522 7.521 -0.423 114 HA LYS 18 HA LYS 18 -0.535 8.154 1.435 115 1HB LYS 18 1HB LYS 18 -2.446 6.848 2.126 116 2HB LYS 18 2HB LYS 18 -2.386 7.104 0.414 117 1HG LYS 18 1HG LYS 18 -1.542 4.492 1.747 118 2HG LYS 18 2HG LYS 18 -3.191 4.879 1.292 119 1HD LYS 18 1HD LYS 18 -0.911 4.074 -0.463 120 2HD LYS 18 2HD LYS 18 -2.584 3.577 -0.465 121 1HE LYS 18 1HE LYS 18 -3.231 5.788 -1.449 122 2HE LYS 18 2HE LYS 18 -1.521 6.238 -1.527 123 1HZ LYS 18 1HZ LYS 18 -1.161 4.362 -2.955 124 2HZ LYS 18 2HZ LYS 18 -2.765 3.978 -2.908 125 3HZ LYS 18 3HZ LYS 18 -2.274 5.400 -3.580 126 H GLU 19 H GLU 19 1.950 7.540 2.113 127 HA GLU 19 HA GLU 19 2.306 5.799 4.249 128 1HB GLU 19 1HB GLU 19 4.072 7.340 5.012 129 2HB GLU 19 2HB GLU 19 4.178 7.040 3.285 130 1HG GLU 19 1HG GLU 19 3.490 9.192 2.704 131 2HG GLU 19 2HG GLU 19 2.617 9.469 4.208 132 H CYS 20 H CYS 20 2.669 6.562 6.639 133 HA CYS 20 HA CYS 20 0.061 7.372 7.537 134 1HB CYS 20 1HB CYS 20 1.723 5.657 8.590 135 2HB CYS 20 2HB CYS 20 2.368 7.068 9.424 136 H ASP 21 H ASP 21 1.224 9.500 6.143 137 HA ASP 21 HA ASP 21 1.584 11.696 8.103 138 1HB ASP 21 1HB ASP 21 3.283 11.689 6.255 139 2HB ASP 21 2HB ASP 21 1.962 11.606 5.071 140 H LYS 22 H LYS 22 -0.035 13.395 7.839 141 HA LYS 22 HA LYS 22 -2.288 13.828 8.032 142 1HB LYS 22 1HB LYS 22 -2.451 12.970 5.123 143 2HB LYS 22 2HB LYS 22 -3.409 14.187 5.975 144 1HG LYS 22 1HG LYS 22 -0.463 14.393 5.242 145 2HG LYS 22 2HG LYS 22 -1.815 15.179 4.425 146 1HD LYS 22 1HD LYS 22 -2.376 16.462 6.437 147 2HD LYS 22 2HD LYS 22 -1.031 15.724 7.332 148 1HE LYS 22 1HE LYS 22 -0.741 17.376 4.780 149 2HE LYS 22 2HE LYS 22 -0.519 18.003 6.419 150 1HZ LYS 22 1HZ LYS 22 1.260 16.417 6.713 151 2HZ LYS 22 2HZ LYS 22 1.079 15.867 5.175 152 3HZ LYS 22 3HZ LYS 22 1.556 17.420 5.440 153 H LYS 23 H LYS 23 -1.691 11.304 9.029 154 HA LYS 23 HA LYS 23 -3.502 9.336 7.953 155 1HB LYS 23 1HB LYS 23 -2.863 7.950 9.709 156 2HB LYS 23 2HB LYS 23 -1.452 8.856 9.223 157 1HG LYS 23 1HG LYS 23 -1.247 8.895 11.522 158 2HG LYS 23 2HG LYS 23 -1.947 10.471 11.176 159 1HD LYS 23 1HD LYS 23 -2.964 9.514 13.134 160 2HD LYS 23 2HD LYS 23 -4.196 9.602 11.910 161 1HE LYS 23 1HE LYS 23 -3.868 7.149 11.403 162 2HE LYS 23 2HE LYS 23 -2.642 7.087 12.680 163 1HZ LYS 23 1HZ LYS 23 -4.425 7.777 14.193 164 2HZ LYS 23 2HZ LYS 23 -5.496 7.742 12.932 165 3HZ LYS 23 3HZ LYS 23 -4.763 6.354 13.429 166 H CYS 24 H CYS 24 -5.585 8.731 8.869 167 HA CYS 24 HA CYS 24 -6.987 11.086 9.894 168 1HB CYS 24 1HB CYS 24 -8.024 9.820 8.146 169 2HB CYS 24 2HB CYS 24 -7.967 8.326 9.131 170 H LYS 25 H LYS 25 -7.263 11.508 12.012 171 HA LYS 25 HA LYS 25 -6.266 9.564 13.927 172 1HB LYS 25 1HB LYS 25 -5.479 11.826 13.967 173 2HB LYS 25 2HB LYS 25 -7.108 12.461 14.204 174 1HG LYS 25 1HG LYS 25 -5.668 12.423 16.243 175 2HG LYS 25 2HG LYS 25 -7.222 11.614 16.437 176 1HD LYS 25 1HD LYS 25 -6.217 9.427 16.328 177 2HD LYS 25 2HD LYS 25 -4.649 10.094 15.820 178 1HE LYS 25 1HE LYS 25 -4.258 11.055 17.983 179 2HE LYS 25 2HE LYS 25 -5.953 10.861 18.463 180 1HZ LYS 25 1HZ LYS 25 -4.162 8.602 17.958 181 2HZ LYS 25 2HZ LYS 25 -4.524 9.212 19.447 182 3HZ LYS 25 3HZ LYS 25 -5.720 8.569 18.520 183 H TYR 26 H TYR 26 -9.346 11.441 13.677 184 HA TYR 26 HA TYR 26 -11.144 11.346 15.074 185 1HB TYR 26 1HB TYR 26 -12.630 9.531 14.690 186 2HB TYR 26 2HB TYR 26 -11.896 10.098 13.209 187 HD1 TYR 26 HD1 TYR 26 -9.694 8.727 12.452 188 HD2 TYR 26 HD2 TYR 26 -13.112 7.251 14.626 189 HE1 TYR 26 HE1 TYR 26 -9.465 6.556 11.329 190 HE2 TYR 26 HE2 TYR 26 -12.961 5.138 13.397 191 HH TYR 26 HH TYR 26 -11.581 3.795 12.109 192 H ASP 27 H ASP 27 -9.419 11.505 16.727 193 HA ASP 27 HA ASP 27 -8.492 11.082 18.718 194 1HB ASP 27 1HB ASP 27 -10.786 11.897 19.154 195 2HB ASP 27 2HB ASP 27 -11.328 10.248 19.437 196 H GLY 28 H GLY 28 -10.749 8.320 19.114 197 1HA GLY 28 1HA GLY 28 -8.551 6.699 20.158 198 2HA GLY 28 2HA GLY 28 -10.279 6.331 20.136 199 H VAL 29 H VAL 29 -9.816 7.262 17.018 200 HA VAL 29 HA VAL 29 -9.746 6.158 15.071 201 HB VAL 29 HB VAL 29 -7.674 4.305 16.355 202 1HG1 VAL 29 1HG1 VAL 29 -8.292 4.938 13.436 203 2HG1 VAL 29 2HG1 VAL 29 -6.916 3.982 14.019 204 3HG1 VAL 29 3HG1 VAL 29 -8.558 3.384 14.244 205 1HG2 VAL 29 1HG2 VAL 29 -7.023 6.750 16.434 206 2HG2 VAL 29 2HG2 VAL 29 -5.972 5.696 15.483 207 3HG2 VAL 29 3HG2 VAL 29 -7.135 6.737 14.655 208 H GLU 30 H GLU 30 -9.096 3.101 16.579 209 HA GLU 30 HA GLU 30 -11.968 2.320 16.658 210 1HB GLU 30 1HB GLU 30 -9.565 0.795 15.640 211 2HB GLU 30 2HB GLU 30 -10.855 -0.052 16.516 212 1HG GLU 30 1HG GLU 30 -11.303 -0.247 14.189 213 2HG GLU 30 2HG GLU 30 -12.537 0.763 14.938 214 H GLU 31 H GLU 31 -8.733 1.267 17.862 215 HA GLU 31 HA GLU 31 -9.633 1.595 20.656 216 1HB GLU 31 1HB GLU 31 -8.967 -0.635 21.230 217 2HB GLU 31 2HB GLU 31 -10.224 -0.688 19.998 218 1HG GLU 31 1HG GLU 31 -7.245 -1.255 19.569 219 2HG GLU 31 2HG GLU 31 -8.556 -2.419 19.631 220 H GLU 32 H GLU 32 -8.032 3.419 19.504 221 HA GLU 32 HA GLU 32 -5.224 2.831 19.838 222 1HB GLU 32 1HB GLU 32 -6.350 4.641 18.401 223 2HB GLU 32 2HB GLU 32 -6.480 5.603 19.878 224 1HG GLU 32 1HG GLU 32 -3.910 4.442 18.707 225 2HG GLU 32 2HG GLU 32 -4.493 6.076 18.408 226 H ASP 33 H ASP 33 -5.539 1.709 21.863 227 HA ASP 33 HA ASP 33 -6.288 3.133 24.259 228 1HB ASP 33 1HB ASP 33 -6.008 1.026 25.340 229 2HB ASP 33 2HB ASP 33 -6.768 0.730 23.769 230 H ASP 34 H ASP 34 -3.248 1.854 22.919 231 HA ASP 34 HA ASP 34 -1.668 3.974 24.093 232 1HB ASP 34 1HB ASP 34 -1.855 2.454 26.069 233 2HB ASP 34 2HB ASP 34 -1.235 1.116 25.087 234 H GLU 35 H GLU 35 -2.085 3.652 21.569 235 HA GLU 35 HA GLU 35 0.331 2.330 20.400 236 1HB GLU 35 1HB GLU 35 -2.579 2.172 19.482 237 2HB GLU 35 2HB GLU 35 -1.205 1.746 18.464 238 1HG GLU 35 1HG GLU 35 -1.889 0.394 21.119 239 2HG GLU 35 2HG GLU 35 -2.277 -0.236 19.517 240 H GLU 36 H GLU 36 1.310 4.377 20.348 241 HA GLU 36 HA GLU 36 0.312 6.789 19.610 242 1HB GLU 36 1HB GLU 36 2.996 5.756 18.603 243 2HB GLU 36 2HB GLU 36 2.502 7.434 18.816 244 1HG GLU 36 1HG GLU 36 3.688 7.161 20.750 245 2HG GLU 36 2HG GLU 36 2.103 6.670 21.353 246 HA PRO 37 HA PRO 37 -1.480 5.796 15.684 247 1HB PRO 37 1HB PRO 37 -2.312 8.241 14.809 248 2HB PRO 37 2HB PRO 37 -2.997 7.424 16.235 249 1HG PRO 37 1HG PRO 37 -0.784 9.500 16.195 250 2HG PRO 37 2HG PRO 37 -2.295 9.555 17.148 251 1HD PRO 37 1HD PRO 37 -0.024 8.621 18.248 252 2HD PRO 37 2HD PRO 37 -1.565 7.756 18.548 253 H ASN 38 H ASN 38 0.692 5.129 15.078 254 HA ASN 38 HA ASN 38 1.517 5.716 12.448 255 1HB ASN 38 1HB ASN 38 2.637 7.604 14.402 256 2HB ASN 38 2HB ASN 38 3.898 6.565 13.761 257 1HD2 ASN 38 2HD2 ASN 38 1.064 8.426 12.541 258 2HD2 ASN 38 1HD2 ASN 38 1.817 8.937 11.029 259 H VAL 39 H VAL 39 2.267 4.478 15.707 260 HA VAL 39 HA VAL 39 4.248 2.618 14.902 261 HB VAL 39 HB VAL 39 2.366 2.717 17.277 262 1HG1 VAL 39 1HG1 VAL 39 4.618 0.734 16.725 263 2HG1 VAL 39 2HG1 VAL 39 3.834 0.986 18.298 264 3HG1 VAL 39 3HG1 VAL 39 2.900 0.335 16.950 265 1HG2 VAL 39 1HG2 VAL 39 4.161 4.448 17.077 266 2HG2 VAL 39 2HG2 VAL 39 4.387 3.364 18.461 267 3HG2 VAL 39 3HG2 VAL 39 5.364 3.150 16.996 268 HA PRO 40 HA PRO 40 0.983 -0.739 14.105 269 1HB PRO 40 1HB PRO 40 -1.699 -0.201 14.061 270 2HB PRO 40 2HB PRO 40 -0.818 -0.640 15.551 271 1HG PRO 40 1HG PRO 40 -1.525 2.146 14.591 272 2HG PRO 40 2HG PRO 40 -1.791 1.443 16.206 273 1HD PRO 40 1HD PRO 40 0.365 2.989 15.687 274 2HD PRO 40 2HD PRO 40 0.519 1.546 16.733 275 H CYS 41 H CYS 41 0.010 2.532 13.100 276 HA CYS 41 HA CYS 41 -0.551 1.822 10.312 277 1HB CYS 41 1HB CYS 41 -1.762 3.584 11.422 278 2HB CYS 41 2HB CYS 41 -0.282 4.428 11.843 279 H LEU 42 H LEU 42 1.734 0.653 10.646 280 HA LEU 42 HA LEU 42 4.066 2.240 10.687 281 1HB LEU 42 1HB LEU 42 5.257 0.267 10.565 282 2HB LEU 42 2HB LEU 42 3.775 -0.140 11.427 283 HG LEU 42 HG LEU 42 4.472 -0.842 8.532 284 1HD1 LEU 42 1HD1 LEU 42 5.666 -2.129 10.257 285 2HD1 LEU 42 2HD1 LEU 42 4.117 -2.565 11.011 286 3HD1 LEU 42 3HD1 LEU 42 4.506 -3.138 9.375 287 1HD2 LEU 42 1HD2 LEU 42 1.956 -1.548 10.097 288 2HD2 LEU 42 2HD2 LEU 42 2.030 -0.492 8.662 289 3HD2 LEU 42 3HD2 LEU 42 2.420 -2.206 8.519 290 H VAL 43 H VAL 43 2.264 2.866 8.327 291 HA VAL 43 HA VAL 43 3.884 1.990 5.998 292 HB VAL 43 HB VAL 43 2.268 3.403 4.674 293 1HG1 VAL 43 1HG1 VAL 43 2.241 0.951 4.719 294 2HG1 VAL 43 2HG1 VAL 43 1.268 0.962 6.206 295 3HG1 VAL 43 3HG1 VAL 43 0.588 1.582 4.688 296 1HG2 VAL 43 1HG2 VAL 43 1.238 4.665 6.608 297 2HG2 VAL 43 2HG2 VAL 43 0.060 3.814 5.612 298 3HG2 VAL 43 3HG2 VAL 43 0.526 3.150 7.187 299 H ARG 44 H ARG 44 5.768 2.905 6.938 300 HA ARG 44 HA ARG 44 6.153 5.696 5.878 301 1HB ARG 44 1HB ARG 44 7.551 4.334 8.222 302 2HB ARG 44 2HB ARG 44 8.039 5.881 7.519 303 1HG ARG 44 1HG ARG 44 5.334 5.350 8.836 304 2HG ARG 44 2HG ARG 44 6.719 6.164 9.570 305 1HD ARG 44 1HD ARG 44 6.644 7.865 7.699 306 2HD ARG 44 2HD ARG 44 5.101 7.146 7.180 307 HE ARG 44 HE ARG 44 4.807 7.657 9.905 308 1HH1 ARG 44 1HH1 ARG 44 5.330 9.572 6.949 309 2HH1 ARG 44 2HH1 ARG 44 4.753 11.043 7.684 310 1HH2 ARG 44 1HH2 ARG 44 4.014 9.456 10.776 311 2HH2 ARG 44 2HH2 ARG 44 3.856 10.972 9.897 312 H VAL 45 H VAL 45 6.108 3.266 4.406 313 HA VAL 45 HA VAL 45 8.876 2.643 3.704 314 HB VAL 45 HB VAL 45 7.171 0.959 3.513 315 1HG1 VAL 45 1HG1 VAL 45 5.174 2.328 2.900 316 2HG1 VAL 45 2HG1 VAL 45 5.828 2.503 1.259 317 3HG1 VAL 45 3HG1 VAL 45 5.420 0.907 1.883 318 1HG2 VAL 45 1HG2 VAL 45 9.139 0.850 2.063 319 2HG2 VAL 45 2HG2 VAL 45 7.717 0.107 1.311 320 3HG2 VAL 45 3HG2 VAL 45 8.260 1.705 0.780 321 H CYS 46 H CYS 46 9.267 5.071 3.728 322 HA CYS 46 HA CYS 46 8.137 6.642 1.672 323 1HB CYS 46 1HB CYS 46 10.599 7.067 3.352 324 2HB CYS 46 2HB CYS 46 10.191 8.120 1.998 325 H HIS 47 H HIS 47 8.471 6.750 -0.392 326 HA HIS 47 HA HIS 47 11.048 6.500 -1.619 327 1HB HIS 47 1HB HIS 47 10.359 4.669 -3.233 328 2HB HIS 47 2HB HIS 47 10.782 4.185 -1.603 329 HD1 HIS 47 HD1 HIS 47 7.181 5.382 -1.965 330 HD2 HIS 47 HD2 HIS 47 9.489 1.861 -1.971 331 HE1 HIS 47 HE1 HIS 47 5.557 3.433 -1.727 332 H GLN 48 H GLN 48 8.536 5.696 -3.733 333 HA GLN 48 HA GLN 48 8.300 8.515 -4.614 334 1HB GLN 48 1HB GLN 48 7.458 6.013 -6.104 335 2HB GLN 48 2HB GLN 48 7.662 7.658 -6.739 336 1HG GLN 48 1HG GLN 48 9.756 5.655 -5.847 337 2HG GLN 48 2HG GLN 48 9.555 6.401 -7.430 338 1HE2 GLN 48 2HE2 GLN 48 9.395 9.174 -6.760 339 2HE2 GLN 48 1HE2 GLN 48 10.962 9.602 -6.088 340 H ASP 49 H ASP 49 5.813 7.082 -5.930 341 HA ASP 49 HA ASP 49 3.723 7.565 -6.089 342 1HB ASP 49 1HB ASP 49 4.040 5.456 -4.620 343 2HB ASP 49 2HB ASP 49 3.427 6.447 -3.311 344 H CYS 50 H CYS 50 1.812 7.999 -3.742 345 HA CYS 50 HA CYS 50 2.088 10.973 -3.631 346 1HB CYS 50 1HB CYS 50 -0.280 9.132 -4.216 347 2HB CYS 50 2HB CYS 50 -0.394 10.853 -3.871 348 H VAL 51 H VAL 51 0.537 11.984 -2.187 349 HA VAL 51 HA VAL 51 -0.477 10.432 0.095 350 HB VAL 51 HB VAL 51 0.304 12.023 1.745 351 1HG1 VAL 51 1HG1 VAL 51 1.716 10.051 1.229 352 2HG1 VAL 51 2HG1 VAL 51 2.692 11.048 0.129 353 3HG1 VAL 51 3HG1 VAL 51 2.636 11.431 1.856 354 1HG2 VAL 51 1HG2 VAL 51 1.680 13.445 -0.566 355 2HG2 VAL 51 2HG2 VAL 51 0.471 14.094 0.545 356 3HG2 VAL 51 3HG2 VAL 51 2.086 13.708 1.145 357 H CYS 52 H CYS 52 -1.920 12.174 1.426 358 HA CYS 52 HA CYS 52 -3.912 13.131 -0.451 359 1HB CYS 52 1HB CYS 52 -3.648 13.657 2.529 360 2HB CYS 52 2HB CYS 52 -5.078 13.937 1.532 361 H GLU 53 H GLU 53 -4.845 15.406 -0.175 362 HA GLU 53 HA GLU 53 -2.797 17.393 -0.614 363 1HB GLU 53 1HB GLU 53 -5.646 18.134 0.023 364 2HB GLU 53 2HB GLU 53 -4.486 18.909 -1.050 365 1HG GLU 53 1HG GLU 53 -5.804 17.971 -2.634 366 2HG GLU 53 2HG GLU 53 -4.770 16.560 -2.394 367 H GLU 54 H GLU 54 -2.612 19.356 0.649 368 HA GLU 54 HA GLU 54 -1.490 19.077 3.015 369 1HB GLU 54 1HB GLU 54 -1.659 21.439 3.381 370 2HB GLU 54 2HB GLU 54 -1.421 21.097 1.670 371 1HG GLU 54 1HG GLU 54 -3.962 22.069 3.039 372 2HG GLU 54 2HG GLU 54 -2.973 22.908 1.853 373 H GLY 55 H GLY 55 -4.983 19.965 2.900 374 1HA GLY 55 1HA GLY 55 -5.170 19.437 5.855 375 2HA GLY 55 2HA GLY 55 -6.207 20.498 4.900 376 H PHE 56 H PHE 56 -5.246 17.324 3.650 377 HA PHE 56 HA PHE 56 -7.994 16.256 4.160 378 1HB PHE 56 1HB PHE 56 -6.227 16.179 1.706 379 2HB PHE 56 2HB PHE 56 -7.448 14.958 2.012 380 HD1 PHE 56 HD1 PHE 56 -7.181 18.749 1.905 381 HD2 PHE 56 HD2 PHE 56 -9.505 15.238 1.005 382 HE1 PHE 56 HE1 PHE 56 -8.906 20.156 0.834 383 HE2 PHE 56 HE2 PHE 56 -11.188 16.624 -0.121 384 HZ PHE 56 HZ PHE 56 -10.922 19.108 -0.181 385 H TYR 57 H TYR 57 -8.055 14.178 4.895 386 HA TYR 57 HA TYR 57 -5.464 13.061 5.801 387 1HB TYR 57 1HB TYR 57 -8.208 13.008 7.110 388 2HB TYR 57 2HB TYR 57 -6.733 12.296 7.766 389 HD1 TYR 57 HD1 TYR 57 -4.932 13.711 8.668 390 HD2 TYR 57 HD2 TYR 57 -8.535 15.472 7.070 391 HE1 TYR 57 HE1 TYR 57 -4.133 15.955 9.336 392 HE2 TYR 57 HE2 TYR 57 -7.713 17.717 7.720 393 HH TYR 57 HH TYR 57 -4.540 18.228 9.258 394 H ARG 58 H ARG 58 -5.112 10.886 5.487 395 HA ARG 58 HA ARG 58 -6.755 9.595 3.438 396 1HB ARG 58 1HB ARG 58 -5.186 7.745 3.655 397 2HB ARG 58 2HB ARG 58 -4.392 9.249 3.269 398 1HG ARG 58 1HG ARG 58 -3.276 9.423 5.274 399 2HG ARG 58 2HG ARG 58 -4.541 8.592 6.185 400 1HD ARG 58 1HD ARG 58 -2.568 7.284 4.307 401 2HD ARG 58 2HD ARG 58 -2.530 7.205 6.069 402 HE ARG 58 HE ARG 58 -5.064 6.326 5.478 403 1HH1 ARG 58 1HH1 ARG 58 -1.827 5.283 4.350 404 2HH1 ARG 58 2HH1 ARG 58 -2.312 3.625 4.168 405 1HH2 ARG 58 1HH2 ARG 58 -5.725 4.172 4.960 406 2HH2 ARG 58 2HH2 ARG 58 -4.529 2.995 4.501 407 H ASN 59 H ASN 59 -8.809 9.670 4.761 408 HA ASN 59 HA ASN 59 -8.988 8.055 7.114 409 1HB ASN 59 1HB ASN 59 -10.634 9.825 6.444 410 2HB ASN 59 2HB ASN 59 -11.217 8.716 5.178 411 1HD2 ASN 59 2HD2 ASN 59 -13.344 9.132 6.530 412 2HD2 ASN 59 1HD2 ASN 59 -13.567 7.864 7.738 413 H LYS 60 H LYS 60 -9.383 5.953 7.431 414 HA LYS 60 HA LYS 60 -8.731 3.800 6.908 415 1HB LYS 60 1HB LYS 60 -10.806 2.655 5.928 416 2HB LYS 60 2HB LYS 60 -10.943 3.553 7.432 417 1HG LYS 60 1HG LYS 60 -12.021 5.404 6.432 418 2HG LYS 60 2HG LYS 60 -11.749 4.833 4.784 419 1HD LYS 60 1HD LYS 60 -13.139 2.774 5.391 420 2HD LYS 60 2HD LYS 60 -13.505 3.570 6.932 421 1HE LYS 60 1HE LYS 60 -14.206 4.573 4.129 422 2HE LYS 60 2HE LYS 60 -15.324 3.940 5.349 423 1HZ LYS 60 1HZ LYS 60 -14.674 5.806 6.757 424 2HZ LYS 60 2HZ LYS 60 -13.765 6.421 5.534 425 3HZ LYS 60 3HZ LYS 60 -15.398 6.286 5.351 426 H ASP 61 H ASP 61 -10.506 3.635 3.960 427 HA ASP 61 HA ASP 61 -8.192 2.364 2.713 428 1HB ASP 61 1HB ASP 61 -11.039 2.763 1.720 429 2HB ASP 61 2HB ASP 61 -9.812 1.728 0.976 430 H ASP 62 H ASP 62 -7.175 4.643 2.873 431 HA ASP 62 HA ASP 62 -6.487 6.613 1.996 432 1HB ASP 62 1HB ASP 62 -5.412 4.992 0.436 433 2HB ASP 62 2HB ASP 62 -6.798 5.144 -0.654 434 H LYS 63 H LYS 63 -9.250 6.659 2.575 435 HA LYS 63 HA LYS 63 -10.498 8.222 0.390 436 1HB LYS 63 1HB LYS 63 -11.448 7.775 3.229 437 2HB LYS 63 2HB LYS 63 -12.349 8.493 1.898 438 1HG LYS 63 1HG LYS 63 -11.381 5.601 2.095 439 2HG LYS 63 2HG LYS 63 -13.031 6.196 2.330 440 1HD LYS 63 1HD LYS 63 -13.016 7.024 -0.063 441 2HD LYS 63 2HD LYS 63 -11.411 6.294 -0.260 442 1HE LYS 63 1HE LYS 63 -13.083 4.822 -1.189 443 2HE LYS 63 2HE LYS 63 -12.306 4.062 0.205 444 1HZ LYS 63 1HZ LYS 63 -14.920 5.412 0.226 445 2HZ LYS 63 2HZ LYS 63 -14.684 3.781 0.197 446 3HZ LYS 63 3HZ LYS 63 -14.218 4.655 1.512 447 H CYS 64 H CYS 64 -8.805 9.691 0.110 448 HA CYS 64 HA CYS 64 -7.782 11.369 2.245 449 1HB CYS 64 1HB CYS 64 -7.746 11.566 -0.743 450 2HB CYS 64 2HB CYS 64 -7.106 12.850 0.283 451 H VAL 65 H VAL 65 -9.423 12.260 3.403 452 HA VAL 65 HA VAL 65 -11.342 14.097 2.004 453 HB VAL 65 HB VAL 65 -13.037 13.381 3.612 454 1HG1 VAL 65 1HG1 VAL 65 -12.941 12.338 1.384 455 2HG1 VAL 65 2HG1 VAL 65 -11.938 11.030 2.032 456 3HG1 VAL 65 3HG1 VAL 65 -13.596 11.243 2.614 457 1HG2 VAL 65 1HG2 VAL 65 -10.922 11.401 4.570 458 2HG2 VAL 65 2HG2 VAL 65 -11.801 12.601 5.511 459 3HG2 VAL 65 3HG2 VAL 65 -12.642 11.185 4.854 460 H SER 66 H SER 66 -11.861 16.012 3.125 461 HA SER 66 HA SER 66 -10.014 17.098 4.895 462 1HB SER 66 1HB SER 66 -12.950 17.846 4.736 463 2HB SER 66 2HB SER 66 -11.550 18.916 4.978 464 HG SER 66 HG SER 66 -10.898 18.230 2.800 465 H ALA 67 H ALA 67 -10.140 17.572 7.123 466 HA ALA 67 HA ALA 67 -10.470 15.649 8.976 467 1HB ALA 67 1HB ALA 67 -11.061 18.604 9.396 468 2HB ALA 67 2HB ALA 67 -10.686 17.426 10.671 469 3HB ALA 67 3HB ALA 67 -9.465 17.827 9.452 470 H GLU 68 H GLU 68 -12.961 17.880 7.985 471 HA GLU 68 HA GLU 68 -15.252 17.528 9.272 472 1HB GLU 68 1HB GLU 68 -15.003 17.136 6.253 473 2HB GLU 68 2HB GLU 68 -16.414 17.715 7.147 474 1HG GLU 68 1HG GLU 68 -15.021 19.695 7.918 475 2HG GLU 68 2HG GLU 68 -13.733 19.162 6.819 476 H ASP 69 H ASP 69 -14.150 15.062 6.864 477 HA ASP 69 HA ASP 69 -16.366 13.250 7.695 478 1HB ASP 69 1HB ASP 69 -15.806 13.338 5.306 479 2HB ASP 69 2HB ASP 69 -14.129 12.899 5.658 480 H CYS 70 H CYS 70 -12.823 13.301 7.498 481 HA CYS 70 HA CYS 70 -12.208 10.807 8.446 482 1HB CYS 70 1HB CYS 70 -10.384 12.004 7.657 483 2HB CYS 70 2HB CYS 70 -10.791 13.454 8.588 484 H GLU 71 H GLU 71 -12.577 13.713 10.556 485 HA GLU 71 HA GLU 71 -11.853 12.250 12.880 486 1HB GLU 71 1HB GLU 71 -13.242 14.925 12.555 487 2HB GLU 71 2HB GLU 71 -12.742 14.258 14.119 488 1HG GLU 71 1HG GLU 71 -10.846 14.771 11.776 489 2HG GLU 71 2HG GLU 71 -11.037 15.810 13.192 490 H LEU 72 H LEU 72 -14.865 12.239 11.195 491 HA LEU 72 HA LEU 72 -16.263 11.035 13.535 492 1HB LEU 72 1HB LEU 72 -17.116 11.845 10.724 493 2HB LEU 72 2HB LEU 72 -18.048 10.734 11.730 494 HG LEU 72 HG LEU 72 -18.216 12.414 13.508 495 1HD1 LEU 72 1HD1 LEU 72 -16.775 14.240 11.554 496 2HD1 LEU 72 2HD1 LEU 72 -17.738 14.829 12.923 497 3HD1 LEU 72 3HD1 LEU 72 -16.305 13.848 13.225 498 1HD2 LEU 72 1HD2 LEU 72 -19.977 12.172 11.777 499 2HD2 LEU 72 2HD2 LEU 72 -19.856 13.847 12.338 500 3HD2 LEU 72 3HD2 LEU 72 -19.153 13.385 10.772 501 H ASP 73 H ASP 73 -15.417 10.277 10.154 502 HA ASP 73 HA ASP 73 -15.304 8.381 8.997 503 1HB ASP 73 1HB ASP 73 -13.120 8.178 10.028 504 2HB ASP 73 2HB ASP 73 -13.807 7.445 11.479 505 H ASN 74 H ASN 74 -15.853 7.024 12.252 506 HA ASN 74 HA ASN 74 -18.312 5.657 11.371 507 1HB ASN 74 1HB ASN 74 -16.535 4.101 10.730 508 2HB ASN 74 2HB ASN 74 -15.833 4.200 12.355 509 1HD2 ASN 74 2HD2 ASN 74 -16.378 1.692 11.618 510 2HD2 ASN 74 1HD2 ASN 74 -17.864 1.105 12.350 511 H MET 75 H MET 75 -19.539 6.578 12.873 512 HA MET 75 HA MET 75 -18.801 7.423 15.450 513 1HB MET 75 1HB MET 75 -21.528 6.742 14.278 514 2HB MET 75 2HB MET 75 -21.273 7.485 15.858 515 1HG MET 75 1HG MET 75 -21.764 9.270 14.405 516 2HG MET 75 2HG MET 75 -20.056 9.369 14.802 517 1HE MET 75 1HE MET 75 -22.756 8.728 12.061 518 2HE MET 75 2HE MET 75 -21.772 8.274 10.651 519 3HE MET 75 3HE MET 75 -21.921 7.154 12.021 520 H ASP 76 H ASP 76 -19.322 4.136 14.434 521 HA ASP 76 HA ASP 76 -20.127 3.043 16.957 522 1HB ASP 76 1HB ASP 76 -20.066 1.781 14.795 523 2HB ASP 76 2HB ASP 76 -18.291 1.845 14.845 524 H PHE 77 H PHE 77 -17.113 4.430 15.794 525 HA PHE 77 HA PHE 77 -15.711 3.611 18.296 526 1HB PHE 77 1HB PHE 77 -14.496 4.215 15.594 527 2HB PHE 77 2HB PHE 77 -13.663 3.775 17.094 528 HD1 PHE 77 HD1 PHE 77 -14.098 1.506 18.151 529 HD2 PHE 77 HD2 PHE 77 -15.395 2.507 14.164 530 HE1 PHE 77 HE1 PHE 77 -14.361 -0.895 17.637 531 HE2 PHE 77 HE2 PHE 77 -15.672 0.091 13.657 532 HZ PHE 77 HZ PHE 77 -15.174 -1.612 15.395 533 H ILE 78 H ILE 78 -13.927 5.905 16.656 534 HA ILE 78 HA ILE 78 -13.390 8.014 17.043 535 HB ILE 78 HB ILE 78 -16.169 8.555 18.166 536 1HG1 ILE 78 1HG1 ILE 78 -15.080 8.976 15.353 537 2HG1 ILE 78 2HG1 ILE 78 -16.204 7.687 15.806 538 1HG2 ILE 78 1HG2 ILE 78 -14.397 10.211 18.797 539 2HG2 ILE 78 2HG2 ILE 78 -14.027 10.429 17.076 540 3HG2 ILE 78 3HG2 ILE 78 -15.610 10.896 17.732 541 1HD1 ILE 78 1HD1 ILE 78 -17.841 9.427 16.583 542 2HD1 ILE 78 2HD1 ILE 78 -16.784 10.666 15.864 543 3HD1 ILE 78 3HD1 ILE 78 -17.509 9.421 14.840 544 H TYR 79 H TYR 79 -15.478 7.145 19.815 545 HA TYR 79 HA TYR 79 -15.163 7.420 22.090 546 1HB TYR 79 1HB TYR 79 -12.613 5.968 21.399 547 2HB TYR 79 2HB TYR 79 -13.456 5.969 22.954 548 HD1 TYR 79 HD1 TYR 79 -16.346 5.627 21.558 549 HD2 TYR 79 HD2 TYR 79 -12.560 3.550 21.363 550 HE1 TYR 79 HE1 TYR 79 -17.492 3.613 20.758 551 HE2 TYR 79 HE2 TYR 79 -13.745 1.496 20.648 552 HH TYR 79 HH TYR 79 -17.056 1.655 19.500 553 HA PRO 80 HA PRO 80 -12.702 11.329 21.927 554 1HB PRO 80 1HB PRO 80 -14.670 11.610 24.218 555 2HB PRO 80 2HB PRO 80 -14.046 12.891 23.134 556 1HG PRO 80 1HG PRO 80 -16.472 11.809 22.633 557 2HG PRO 80 2HG PRO 80 -15.317 11.999 21.278 558 1HD PRO 80 1HD PRO 80 -15.926 9.509 22.883 559 2HD PRO 80 2HD PRO 80 -15.754 9.688 21.112 560 H GLY 81 H GLY 81 -10.856 11.745 23.175 561 1HA GLY 81 1HA GLY 81 -9.152 11.261 24.613 562 2HA GLY 81 2HA GLY 81 -10.386 11.153 25.880 563 H THR 82 H THR 82 -9.876 9.140 22.981 564 HA THR 82 HA THR 82 -9.462 7.060 22.539 565 HB THR 82 HB THR 82 -7.959 5.693 23.820 566 HG1 THR 82 HG1 THR 82 -8.370 7.610 25.855 567 1HG2 THR 82 1HG2 THR 82 -7.070 7.521 22.407 568 2HG2 THR 82 2HG2 THR 82 -7.061 8.609 23.814 569 3HG2 THR 82 3HG2 THR 82 -6.026 7.167 23.793 570 H ARG 83 H ARG 83 -10.778 7.202 25.852 571 HA ARG 83 HA ARG 83 -12.562 4.869 25.210 572 1HB ARG 83 1HB ARG 83 -10.649 5.327 27.515 573 2HB ARG 83 2HB ARG 83 -12.026 4.241 27.697 574 1HG ARG 83 1HG ARG 83 -11.255 2.654 26.258 575 2HG ARG 83 2HG ARG 83 -10.307 3.773 25.280 576 1HD ARG 83 1HD ARG 83 -9.530 3.043 28.128 577 2HD ARG 83 2HD ARG 83 -8.958 2.203 26.668 578 HE ARG 83 HE ARG 83 -8.612 5.092 26.521 579 1HH1 ARG 83 1HH1 ARG 83 -7.034 2.135 27.710 580 2HH1 ARG 83 2HH1 ARG 83 -5.437 2.719 27.292 581 1HH2 ARG 83 1HH2 ARG 83 -6.618 5.802 26.047 582 2HH2 ARG 83 2HH2 ARG 83 -5.201 4.759 26.191 583 H ASN 84 H ASN 84 -12.920 7.990 25.497 584 HA ASN 84 HA ASN 84 -14.421 9.409 26.403 585 1HB ASN 84 1HB ASN 84 -15.786 7.735 25.083 586 2HB ASN 84 2HB ASN 84 -16.284 7.035 26.625 587 1HD2 ASN 84 2HD2 ASN 84 -17.128 8.803 28.257 588 2HD2 ASN 84 1HD2 ASN 84 -18.192 10.025 27.551 589 HA PRO 85 HA PRO 85 -13.626 8.015 30.821 590 1HB PRO 85 1HB PRO 85 -11.784 9.914 31.534 591 2HB PRO 85 2HB PRO 85 -11.335 8.381 30.732 592 1HG PRO 85 1HG PRO 85 -11.790 11.078 29.416 593 2HG PRO 85 2HG PRO 85 -10.382 9.991 29.219 594 1HD PRO 85 1HD PRO 85 -12.411 9.980 27.433 595 2HD PRO 85 2HD PRO 85 -11.650 8.445 27.946
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