NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9063 | 1nau | 5673 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 -0.945 -7.346 4.945 2 2H SER 1 2H SER 1 -1.763 -7.206 3.519 3 3H SER 1 3H SER 1 -1.019 -5.890 4.176 4 HA SER 1 HA SER 1 -3.259 -7.350 5.335 5 1HB SER 1 1HB SER 1 -3.352 -5.533 7.004 6 2HB SER 1 2HB SER 1 -1.807 -6.402 7.059 7 HG SER 1 HG SER 1 -2.298 -3.928 5.752 8 H GLN 2 H GLN 2 -5.308 -6.401 5.171 9 HA GLN 2 HA GLN 2 -5.785 -4.884 2.739 10 1HB GLN 2 1HB GLN 2 -7.648 -5.895 4.926 11 2HB GLN 2 2HB GLN 2 -8.161 -5.129 3.410 12 1HG GLN 2 1HG GLN 2 -7.029 -6.917 2.117 13 2HG GLN 2 2HG GLN 2 -6.549 -7.712 3.627 14 1HE2 GLN 2 2HE2 GLN 2 -7.872 -9.328 2.021 15 2HE2 GLN 2 1HE2 GLN 2 -9.542 -9.529 2.509 16 H GLY 3 H GLY 3 -6.434 -4.332 6.237 17 1HA GLY 3 1HA GLY 3 -6.320 -2.406 7.476 18 2HA GLY 3 2HA GLY 3 -5.777 -1.509 6.054 19 H THR 4 H THR 4 -7.218 0.099 7.083 20 HA THR 4 HA THR 4 -10.007 -0.050 6.058 21 HB THR 4 HB THR 4 -10.718 1.081 8.186 22 HG1 THR 4 HG1 THR 4 -8.229 0.101 9.137 23 1HG2 THR 4 1HG2 THR 4 -10.917 -0.969 9.485 24 2HG2 THR 4 2HG2 THR 4 -11.163 -1.328 7.765 25 3HG2 THR 4 3HG2 THR 4 -9.624 -1.743 8.553 26 H THR 5 H THR 5 -9.819 1.374 4.469 27 HA THR 5 HA THR 5 -9.310 3.219 3.287 28 HB THR 5 HB THR 5 -11.449 3.696 4.007 29 HG1 THR 5 HG1 THR 5 -10.386 5.473 3.132 30 1HG2 THR 5 1HG2 THR 5 -12.049 4.884 6.090 31 2HG2 THR 5 2HG2 THR 5 -11.451 3.247 6.364 32 3HG2 THR 5 3HG2 THR 5 -10.410 4.640 6.711 33 H SER 6 H SER 6 -9.016 5.559 5.757 34 HA SER 6 HA SER 6 -6.673 6.665 4.905 35 1HB SER 6 1HB SER 6 -8.291 7.697 6.457 36 2HB SER 6 2HB SER 6 -7.735 6.623 7.757 37 HG SER 6 HG SER 6 -6.141 8.496 6.331 38 H GLU 7 H GLU 7 -6.988 3.932 7.183 39 HA GLU 7 HA GLU 7 -4.317 3.928 8.143 40 1HB GLU 7 1HB GLU 7 -6.332 2.730 9.073 41 2HB GLU 7 2HB GLU 7 -6.158 1.536 7.787 42 1HG GLU 7 1HG GLU 7 -4.058 2.225 9.892 43 2HG GLU 7 2HG GLU 7 -5.168 0.852 9.969 44 H TYR 8 H TYR 8 -5.853 2.075 5.405 45 HA TYR 8 HA TYR 8 -3.296 1.031 4.581 46 1HB TYR 8 1HB TYR 8 -4.387 0.046 2.722 47 2HB TYR 8 2HB TYR 8 -5.303 -0.223 4.194 48 HD1 TYR 8 HD1 TYR 8 -5.164 2.117 1.200 49 HD2 TYR 8 HD2 TYR 8 -7.606 -0.167 3.920 50 HE1 TYR 8 HE1 TYR 8 -7.175 2.723 -0.091 51 HE2 TYR 8 HE2 TYR 8 -9.585 0.285 2.511 52 HH TYR 8 HH TYR 8 -10.418 1.425 0.691 53 H SER 9 H SER 9 -5.049 3.958 3.838 54 HA SER 9 HA SER 9 -4.094 4.668 1.368 55 1HB SER 9 1HB SER 9 -5.744 5.922 2.699 56 2HB SER 9 2HB SER 9 -4.428 6.551 3.715 57 HG SER 9 HG SER 9 -4.651 6.874 0.908 58 H LYS 10 H LYS 10 -2.320 4.695 4.452 59 HA LYS 10 HA LYS 10 -0.048 6.222 3.639 60 1HB LYS 10 1HB LYS 10 -0.219 4.016 5.716 61 2HB LYS 10 2HB LYS 10 0.961 5.328 5.629 62 1HG LYS 10 1HG LYS 10 -2.011 5.594 6.284 63 2HG LYS 10 2HG LYS 10 -0.635 5.761 7.357 64 1HD LYS 10 1HD LYS 10 -1.154 7.936 7.004 65 2HD LYS 10 2HD LYS 10 0.120 7.720 5.798 66 1HE LYS 10 1HE LYS 10 -1.592 7.666 3.998 67 2HE LYS 10 2HE LYS 10 -2.882 7.556 5.202 68 1HZ LYS 10 1HZ LYS 10 -2.629 9.733 4.324 69 2HZ LYS 10 2HZ LYS 10 -2.278 9.734 5.935 70 3HZ LYS 10 3HZ LYS 10 -1.061 9.816 4.825 71 H TYR 11 H TYR 11 -0.680 2.661 3.627 72 HA TYR 11 HA TYR 11 1.878 2.229 2.209 73 1HB TYR 11 1HB TYR 11 1.451 -0.116 2.602 74 2HB TYR 11 2HB TYR 11 1.616 0.858 4.055 75 HD1 TYR 11 HD1 TYR 11 -1.044 -0.728 1.876 76 HD2 TYR 11 HD2 TYR 11 0.123 0.601 5.815 77 HE1 TYR 11 HE1 TYR 11 -2.913 -1.999 2.865 78 HE2 TYR 11 HE2 TYR 11 -1.663 -0.783 6.800 79 HH TYR 11 HH TYR 11 -3.436 -2.178 6.404 80 H LEU 12 H LEU 12 -0.549 3.571 1.117 81 HA LEU 12 HA LEU 12 -0.607 2.076 -1.426 82 1HB LEU 12 1HB LEU 12 -2.775 1.980 -0.432 83 2HB LEU 12 2HB LEU 12 -2.690 3.669 0.054 84 HG LEU 12 HG LEU 12 -2.902 4.437 -2.234 85 1HD1 LEU 12 1HD2 LEU 12 -1.850 2.479 -3.441 86 2HD1 LEU 12 2HD2 LEU 12 -3.209 1.460 -2.935 87 3HD1 LEU 12 3HD2 LEU 12 -3.474 2.813 -4.054 88 1HD2 LEU 12 1HD1 LEU 12 -5.236 3.751 -2.597 89 2HD2 LEU 12 2HD1 LEU 12 -5.025 2.400 -1.465 90 3HD2 LEU 12 3HD1 LEU 12 -4.918 4.077 -0.885 91 H ASP 13 H ASP 13 0.397 4.850 0.366 92 HA ASP 13 HA ASP 13 0.408 6.739 -1.842 93 1HB ASP 13 1HB ASP 13 -0.127 7.348 0.479 94 2HB ASP 13 2HB ASP 13 1.489 6.885 0.994 95 H SER 14 H SER 14 3.233 7.068 -0.062 96 HA SER 14 HA SER 14 4.814 6.428 -2.469 97 1HB SER 14 1HB SER 14 5.449 8.136 -0.037 98 2HB SER 14 2HB SER 14 6.443 7.966 -1.506 99 HG SER 14 HG SER 14 3.796 8.970 -1.330 100 H ARG 15 H ARG 15 6.774 6.632 0.275 101 HA ARG 15 HA ARG 15 8.299 4.481 -0.205 102 1HB ARG 15 1HB ARG 15 8.848 6.292 1.275 103 2HB ARG 15 2HB ARG 15 7.674 5.770 2.483 104 1HG ARG 15 1HG ARG 15 9.883 3.875 1.619 105 2HG ARG 15 2HG ARG 15 10.252 5.226 2.699 106 1HD ARG 15 1HD ARG 15 8.552 4.467 4.315 107 2HD ARG 15 2HD ARG 15 8.192 3.068 3.287 108 HE ARG 15 HE ARG 15 10.994 3.237 3.899 109 1HH1 ARG 15 1HH1 ARG 15 7.857 2.202 5.231 110 2HH1 ARG 15 2HH1 ARG 15 8.576 1.004 6.280 111 1HH2 ARG 15 1HH2 ARG 15 11.894 1.668 5.286 112 2HH2 ARG 15 2HH2 ARG 15 10.860 0.704 6.315 113 H ARG 16 H ARG 16 5.582 4.437 2.144 114 HA ARG 16 HA ARG 16 6.028 1.820 3.113 115 1HB ARG 16 1HB ARG 16 3.544 3.508 2.931 116 2HB ARG 16 2HB ARG 16 3.675 2.067 3.953 117 1HG ARG 16 1HG ARG 16 5.103 3.054 5.457 118 2HG ARG 16 2HG ARG 16 5.773 4.206 4.301 119 1HD ARG 16 1HD ARG 16 2.937 4.308 5.384 120 2HD ARG 16 2HD ARG 16 4.256 5.323 5.976 121 HE ARG 16 HE ARG 16 2.705 5.652 3.539 122 1HH1 ARG 16 1HH1 ARG 16 5.893 6.370 4.963 123 2HH1 ARG 16 2HH1 ARG 16 6.225 7.654 3.825 124 1HH2 ARG 16 1HH2 ARG 16 3.175 7.334 2.089 125 2HH2 ARG 16 2HH2 ARG 16 4.689 8.199 2.201 126 H ALA 17 H ALA 17 4.119 3.008 0.323 127 HA ALA 17 HA ALA 17 2.843 0.505 -0.253 128 1HB ALA 17 1HB ALA 17 3.525 2.762 -2.171 129 2HB ALA 17 2HB ALA 17 2.321 1.483 -2.396 130 3HB ALA 17 3HB ALA 17 2.092 2.707 -1.132 131 H GLN 18 H GLN 18 6.074 1.834 -0.900 132 HA GLN 18 HA GLN 18 6.706 -0.091 -2.975 133 1HB GLN 18 1HB GLN 18 8.758 1.383 -1.304 134 2HB GLN 18 2HB GLN 18 8.911 0.714 -2.926 135 1HG GLN 18 1HG GLN 18 7.428 3.197 -2.046 136 2HG GLN 18 2HG GLN 18 8.767 3.068 -3.178 137 1HE2 GLN 18 2HE2 GLN 18 5.463 3.522 -2.966 138 2HE2 GLN 18 1HE2 GLN 18 5.001 3.025 -4.582 139 H ASP 19 H ASP 19 7.088 0.140 0.515 140 HA ASP 19 HA ASP 19 8.691 -2.229 0.907 141 1HB ASP 19 1HB ASP 19 6.952 -0.523 2.734 142 2HB ASP 19 2HB ASP 19 7.785 -1.977 3.287 143 H PHE 20 H PHE 20 5.178 -1.483 0.972 144 HA PHE 20 HA PHE 20 4.332 -4.107 1.659 145 1HB PHE 20 1HB PHE 20 3.028 -1.643 0.621 146 2HB PHE 20 2HB PHE 20 2.233 -3.154 0.228 147 HD1 PHE 20 HD1 PHE 20 3.984 -1.790 3.300 148 HD2 PHE 20 HD2 PHE 20 0.499 -3.741 1.659 149 HE1 PHE 20 HE1 PHE 20 2.998 -1.952 5.565 150 HE2 PHE 20 HE2 PHE 20 -0.467 -3.907 3.925 151 HZ PHE 20 HZ PHE 20 0.777 -3.024 5.887 152 H VAL 21 H VAL 21 5.005 -2.658 -1.632 153 HA VAL 21 HA VAL 21 3.977 -5.126 -2.824 154 HB VAL 21 HB VAL 21 4.857 -4.421 -4.941 155 1HG1 VAL 21 1HG2 VAL 21 2.634 -3.702 -4.217 156 2HG1 VAL 21 2HG2 VAL 21 3.315 -2.236 -3.490 157 3HG1 VAL 21 3HG2 VAL 21 3.400 -2.478 -5.244 158 1HG2 VAL 21 1HG1 VAL 21 5.837 -2.183 -5.260 159 2HG2 VAL 21 2HG1 VAL 21 5.919 -1.994 -3.502 160 3HG2 VAL 21 3HG1 VAL 21 6.904 -3.230 -4.312 161 H GLN 22 H GLN 22 7.247 -3.930 -1.996 162 HA GLN 22 HA GLN 22 8.746 -6.108 -2.930 163 1HB GLN 22 1HB GLN 22 9.695 -4.020 -2.061 164 2HB GLN 22 2HB GLN 22 9.082 -4.379 -0.447 165 1HG GLN 22 1HG GLN 22 11.486 -4.820 -0.624 166 2HG GLN 22 2HG GLN 22 10.578 -6.271 -0.201 167 1HE2 GLN 22 2HE2 GLN 22 11.244 -4.652 -3.389 168 2HE2 GLN 22 1HE2 GLN 22 11.978 -6.065 -4.117 169 H TRP 23 H TRP 23 6.746 -5.793 0.043 170 HA TRP 23 HA TRP 23 7.754 -8.183 1.309 171 1HB TRP 23 1HB TRP 23 6.875 -6.502 2.726 172 2HB TRP 23 2HB TRP 23 5.457 -6.256 1.713 173 HD1 TRP 23 HD1 TRP 23 6.878 -9.016 3.925 174 HE1 TRP 23 HE1 TRP 23 4.875 -10.327 5.013 175 HE3 TRP 23 HE3 TRP 23 3.080 -6.814 1.441 176 HZ2 TRP 23 HZ2 TRP 23 2.036 -10.410 4.724 177 HZ3 TRP 23 HZ3 TRP 23 0.714 -7.549 1.788 178 HH2 TRP 23 HH2 TRP 23 0.199 -9.338 3.443 179 H LEU 24 H LEU 24 4.667 -7.269 -0.229 180 HA LEU 24 HA LEU 24 3.308 -9.644 -0.244 181 1HB LEU 24 1HB LEU 24 2.427 -7.449 -0.904 182 2HB LEU 24 2HB LEU 24 3.422 -7.471 -2.363 183 HG LEU 24 HG LEU 24 2.137 -9.410 -3.231 184 1HD1 LEU 24 1HD1 LEU 24 0.004 -10.046 -2.077 185 2HD1 LEU 24 2HD1 LEU 24 1.433 -10.515 -1.154 186 3HD1 LEU 24 3HD1 LEU 24 0.499 -9.079 -0.673 187 1HD2 LEU 24 1HD2 LEU 24 0.049 -8.190 -3.669 188 2HD2 LEU 24 2HD2 LEU 24 0.396 -7.080 -2.325 189 3HD2 LEU 24 3HD2 LEU 24 1.445 -7.101 -3.759 190 H MET 25 H MET 25 5.751 -8.498 -2.514 191 HA MET 25 HA MET 25 5.598 -10.616 -4.455 192 1HB MET 25 1HB MET 25 7.697 -8.569 -3.692 193 2HB MET 25 2HB MET 25 8.019 -9.799 -4.920 194 1HG MET 25 1HG MET 25 6.264 -9.039 -6.335 195 2HG MET 25 2HG MET 25 5.575 -8.006 -5.085 196 1HE MET 25 1HE MET 25 6.097 -7.057 -8.075 197 2HE MET 25 2HE MET 25 5.372 -6.050 -6.799 198 3HE MET 25 3HE MET 25 6.727 -5.422 -7.766 199 H ASN 26 H ASN 26 7.924 -10.015 -1.754 200 HA ASN 26 HA ASN 26 9.358 -12.430 -2.019 201 1HB ASN 26 1HB ASN 26 8.826 -10.739 0.458 202 2HB ASN 26 2HB ASN 26 10.041 -12.022 0.344 203 1HD2 ASN 26 2HD2 ASN 26 10.706 -9.327 0.997 204 2HD2 ASN 26 1HD2 ASN 26 11.644 -8.668 -0.335 205 H THR 27 H THR 27 6.336 -11.750 -0.228 206 HA THR 27 HA THR 27 6.141 -14.496 0.787 207 HB THR 27 HB THR 27 3.984 -13.706 1.667 208 HG1 THR 27 HG1 THR 27 3.629 -12.188 -0.092 209 1HG2 THR 27 1HG2 THR 27 6.105 -13.294 2.932 210 2HG2 THR 27 2HG2 THR 27 6.216 -11.686 2.187 211 3HG2 THR 27 3HG2 THR 27 4.848 -12.079 3.244 212 1HN NH2 28 1H NH2 28 6.522 -15.135 -1.647 213 2HN NH2 28 2H NH2 28 5.053 -15.424 -2.564 Start of MODEL 2 1 1H SER 1 1H SER 1 -13.287 4.667 -6.206 2 2H SER 1 2H SER 1 -11.887 5.517 -6.396 3 3H SER 1 3H SER 1 -11.943 3.922 -6.804 4 HA SER 1 HA SER 1 -12.264 5.010 -4.116 5 1HB SER 1 1HB SER 1 -12.232 2.649 -3.365 6 2HB SER 1 2HB SER 1 -13.595 2.992 -4.438 7 HG SER 1 HG SER 1 -12.396 2.067 -6.143 8 H GLN 2 H GLN 2 -10.223 6.032 -5.560 9 HA GLN 2 HA GLN 2 -7.924 5.229 -4.057 10 1HB GLN 2 1HB GLN 2 -6.449 4.544 -5.812 11 2HB GLN 2 2HB GLN 2 -7.812 3.439 -5.740 12 1HG GLN 2 1HG GLN 2 -7.328 5.612 -7.825 13 2HG GLN 2 2HG GLN 2 -7.159 3.877 -8.036 14 1HE2 GLN 2 2HE2 GLN 2 -9.132 2.504 -7.833 15 2HE2 GLN 2 1HE2 GLN 2 -10.665 3.193 -8.324 16 H GLY 3 H GLY 3 -9.101 6.989 -6.960 17 1HA GLY 3 1HA GLY 3 -7.043 9.026 -6.820 18 2HA GLY 3 2HA GLY 3 -8.468 8.985 -7.865 19 H THR 4 H THR 4 -7.547 9.475 -4.426 20 HA THR 4 HA THR 4 -9.206 11.899 -4.268 21 HB THR 4 HB THR 4 -10.794 10.106 -3.754 22 HG1 THR 4 HG1 THR 4 -10.983 12.004 -2.584 23 1HG2 THR 4 1HG2 THR 4 -10.489 8.710 -1.716 24 2HG2 THR 4 2HG2 THR 4 -9.357 8.302 -3.015 25 3HG2 THR 4 3HG2 THR 4 -8.798 9.249 -1.625 26 H THR 5 H THR 5 -8.960 11.764 -1.308 27 HA THR 5 HA THR 5 -6.018 12.133 -0.923 28 HB THR 5 HB THR 5 -6.693 13.859 0.767 29 HG1 THR 5 HG1 THR 5 -8.825 14.682 0.543 30 1HG2 THR 5 1HG2 THR 5 -5.938 14.516 -1.506 31 2HG2 THR 5 2HG2 THR 5 -7.619 14.455 -2.082 32 3HG2 THR 5 3HG2 THR 5 -7.142 15.643 -0.853 33 H SER 6 H SER 6 -9.146 11.458 0.642 34 HA SER 6 HA SER 6 -8.247 10.386 3.064 35 1HB SER 6 1HB SER 6 -10.494 9.270 3.094 36 2HB SER 6 2HB SER 6 -10.551 11.001 2.720 37 HG SER 6 HG SER 6 -10.802 10.484 0.538 38 H GLU 7 H GLU 7 -9.343 8.518 0.209 39 HA GLU 7 HA GLU 7 -7.917 6.097 1.157 40 1HB GLU 7 1HB GLU 7 -10.302 6.009 0.444 41 2HB GLU 7 2HB GLU 7 -9.809 6.460 -1.197 42 1HG GLU 7 1HG GLU 7 -8.473 4.382 -1.382 43 2HG GLU 7 2HG GLU 7 -8.807 4.007 0.313 44 H TYR 8 H TYR 8 -6.008 7.768 0.748 45 HA TYR 8 HA TYR 8 -4.713 6.980 -1.750 46 1HB TYR 8 1HB TYR 8 -6.207 8.804 -2.465 47 2HB TYR 8 2HB TYR 8 -5.491 9.864 -1.272 48 HD1 TYR 8 HD1 TYR 8 -4.504 7.620 -4.132 49 HD2 TYR 8 HD2 TYR 8 -3.718 11.268 -1.970 50 HE1 TYR 8 HE1 TYR 8 -3.161 8.443 -6.023 51 HE2 TYR 8 HE2 TYR 8 -2.345 12.083 -3.843 52 HH TYR 8 HH TYR 8 -1.559 11.662 -5.976 53 H SER 9 H SER 9 -4.482 9.702 0.555 54 HA SER 9 HA SER 9 -1.727 9.862 0.623 55 1HB SER 9 1HB SER 9 -3.623 10.661 2.849 56 2HB SER 9 2HB SER 9 -2.007 11.308 2.518 57 HG SER 9 HG SER 9 -4.352 11.526 0.945 58 H LYS 10 H LYS 10 -3.618 7.391 2.104 59 HA LYS 10 HA LYS 10 -2.069 6.891 4.456 60 1HB LYS 10 1HB LYS 10 -3.741 4.851 2.988 61 2HB LYS 10 2HB LYS 10 -3.416 4.973 4.716 62 1HG LYS 10 1HG LYS 10 -5.267 6.719 3.032 63 2HG LYS 10 2HG LYS 10 -5.698 5.493 4.205 64 1HD LYS 10 1HD LYS 10 -6.108 7.400 5.370 65 2HD LYS 10 2HD LYS 10 -4.512 6.957 5.987 66 1HE LYS 10 1HE LYS 10 -3.474 8.745 4.703 67 2HE LYS 10 2HE LYS 10 -4.933 8.953 3.709 68 1HZ LYS 10 1HZ LYS 10 -4.705 10.640 5.348 69 2HZ LYS 10 2HZ LYS 10 -6.052 9.738 5.649 70 3HZ LYS 10 3HZ LYS 10 -4.699 9.532 6.569 71 H TYR 11 H TYR 11 -1.874 5.855 1.071 72 HA TYR 11 HA TYR 11 0.446 4.078 1.640 73 1HB TYR 11 1HB TYR 11 -0.248 2.888 -0.344 74 2HB TYR 11 2HB TYR 11 -1.401 2.838 0.995 75 HD1 TYR 11 HD1 TYR 11 -3.646 3.690 0.772 76 HD2 TYR 11 HD2 TYR 11 -0.797 4.188 -2.427 77 HE1 TYR 11 HE1 TYR 11 -5.487 4.265 -0.777 78 HE2 TYR 11 HE2 TYR 11 -2.643 4.778 -3.972 79 HH TYR 11 HH TYR 11 -6.022 5.120 -2.871 80 H LEU 12 H LEU 12 -0.819 6.733 -0.268 81 HA LEU 12 HA LEU 12 0.537 7.004 -2.511 82 1HB LEU 12 1HB LEU 12 -1.072 8.528 -1.540 83 2HB LEU 12 2HB LEU 12 0.092 9.058 -0.320 84 HG LEU 12 HG LEU 12 -0.506 10.625 -2.145 85 1HD1 LEU 12 1HD2 LEU 12 2.491 10.120 -2.090 86 2HD1 LEU 12 2HD2 LEU 12 1.635 11.629 -2.411 87 3HD1 LEU 12 3HD2 LEU 12 1.564 10.908 -0.795 88 1HD2 LEU 12 1HD1 LEU 12 1.275 8.911 -3.938 89 2HD2 LEU 12 2HD1 LEU 12 -0.496 8.930 -4.003 90 3HD2 LEU 12 3HD1 LEU 12 0.425 10.403 -4.375 91 H ASP 13 H ASP 13 2.106 7.838 0.631 92 HA ASP 13 HA ASP 13 4.442 9.005 -0.306 93 1HB ASP 13 1HB ASP 13 4.036 9.122 1.980 94 2HB ASP 13 2HB ASP 13 3.645 7.412 2.082 95 H SER 14 H SER 14 6.329 8.326 -1.198 96 HA SER 14 HA SER 14 6.251 5.690 -2.431 97 1HB SER 14 1HB SER 14 8.114 6.552 -3.744 98 2HB SER 14 2HB SER 14 6.657 7.577 -3.791 99 HG SER 14 HG SER 14 8.941 8.004 -2.156 100 H ARG 15 H ARG 15 6.497 4.722 -0.301 101 HA ARG 15 HA ARG 15 9.110 3.637 0.154 102 1HB ARG 15 1HB ARG 15 9.536 5.770 1.214 103 2HB ARG 15 2HB ARG 15 8.049 5.699 2.139 104 1HG ARG 15 1HG ARG 15 10.304 3.654 2.431 105 2HG ARG 15 2HG ARG 15 10.305 5.198 3.285 106 1HD ARG 15 1HD ARG 15 8.301 2.950 3.674 107 2HD ARG 15 2HD ARG 15 9.520 3.539 4.796 108 HE ARG 15 HE ARG 15 7.971 5.770 4.226 109 1HH1 ARG 15 1HH1 ARG 15 7.385 2.561 5.648 110 2HH1 ARG 15 2HH1 ARG 15 6.041 3.120 6.617 111 1HH2 ARG 15 1HH2 ARG 15 6.209 6.457 5.484 112 2HH2 ARG 15 2HH2 ARG 15 5.378 5.329 6.530 113 H ARG 16 H ARG 16 5.906 4.439 1.558 114 HA ARG 16 HA ARG 16 5.787 1.995 3.121 115 1HB ARG 16 1HB ARG 16 3.529 2.620 3.669 116 2HB ARG 16 2HB ARG 16 4.703 3.908 3.953 117 1HG ARG 16 1HG ARG 16 3.951 4.966 1.770 118 2HG ARG 16 2HG ARG 16 2.704 3.702 1.685 119 1HD ARG 16 1HD ARG 16 1.750 5.676 2.670 120 2HD ARG 16 2HD ARG 16 1.904 4.401 3.921 121 HE ARG 16 HE ARG 16 4.150 6.235 3.741 122 1HH1 ARG 16 1HH1 ARG 16 0.867 5.924 5.077 123 2HH1 ARG 16 2HH1 ARG 16 1.153 7.072 6.365 124 1HH2 ARG 16 1HH2 ARG 16 4.506 7.716 5.460 125 2HH2 ARG 16 2HH2 ARG 16 3.214 8.102 6.573 126 H ALA 17 H ALA 17 4.103 3.102 0.128 127 HA ALA 17 HA ALA 17 2.651 0.679 -0.287 128 1HB ALA 17 1HB ALA 17 3.450 2.996 -2.080 129 2HB ALA 17 2HB ALA 17 2.413 1.649 -2.617 130 3HB ALA 17 3HB ALA 17 1.897 2.695 -1.285 131 H GLN 18 H GLN 18 5.801 1.875 -1.381 132 HA GLN 18 HA GLN 18 6.498 -0.249 -3.151 133 1HB GLN 18 1HB GLN 18 7.949 1.910 -1.583 134 2HB GLN 18 2HB GLN 18 8.878 0.679 -2.438 135 1HG GLN 18 1HG GLN 18 8.413 2.875 -3.668 136 2HG GLN 18 2HG GLN 18 8.190 1.340 -4.524 137 1HE2 GLN 18 2HE2 GLN 18 6.230 3.759 -2.634 138 2HE2 GLN 18 1HE2 GLN 18 4.837 3.620 -3.681 139 H ASP 19 H ASP 19 7.057 0.247 0.342 140 HA ASP 19 HA ASP 19 8.545 -2.152 0.792 141 1HB ASP 19 1HB ASP 19 8.556 -0.358 2.412 142 2HB ASP 19 2HB ASP 19 6.808 -0.480 2.648 143 H PHE 20 H PHE 20 5.023 -1.413 0.998 144 HA PHE 20 HA PHE 20 4.177 -4.013 1.766 145 1HB PHE 20 1HB PHE 20 2.685 -1.975 0.088 146 2HB PHE 20 2HB PHE 20 1.975 -3.315 0.984 147 HD1 PHE 20 HD1 PHE 20 1.057 -0.487 1.180 148 HD2 PHE 20 HD2 PHE 20 3.972 -2.656 3.522 149 HE1 PHE 20 HE1 PHE 20 0.776 1.120 3.043 150 HE2 PHE 20 HE2 PHE 20 3.679 -1.052 5.362 151 HZ PHE 20 HZ PHE 20 2.086 0.841 5.138 152 H VAL 21 H VAL 21 4.855 -2.621 -1.483 153 HA VAL 21 HA VAL 21 3.894 -4.958 -2.882 154 HB VAL 21 HB VAL 21 5.683 -2.631 -3.660 155 1HG1 VAL 21 1HG1 VAL 21 5.499 -3.464 -6.013 156 2HG1 VAL 21 2HG1 VAL 21 6.512 -4.499 -5.003 157 3HG1 VAL 21 3HG1 VAL 21 4.850 -4.997 -5.394 158 1HG2 VAL 21 1HG2 VAL 21 2.937 -3.528 -4.652 159 2HG2 VAL 21 2HG2 VAL 21 3.176 -2.297 -3.404 160 3HG2 VAL 21 3HG2 VAL 21 3.774 -2.012 -5.047 161 H GLN 22 H GLN 22 7.183 -3.898 -1.888 162 HA GLN 22 HA GLN 22 8.601 -6.118 -2.803 163 1HB GLN 22 1HB GLN 22 9.627 -4.050 -1.964 164 2HB GLN 22 2HB GLN 22 9.047 -4.398 -0.330 165 1HG GLN 22 1HG GLN 22 11.403 -4.914 -0.528 166 2HG GLN 22 2HG GLN 22 10.500 -6.387 -0.199 167 1HE2 GLN 22 2HE2 GLN 22 10.239 -7.962 -1.946 168 2HE2 GLN 22 1HE2 GLN 22 11.331 -7.942 -3.320 169 H TRP 23 H TRP 23 6.523 -5.793 0.093 170 HA TRP 23 HA TRP 23 7.533 -8.160 1.421 171 1HB TRP 23 1HB TRP 23 6.562 -6.509 2.811 172 2HB TRP 23 2HB TRP 23 5.171 -6.297 1.750 173 HD1 TRP 23 HD1 TRP 23 6.638 -9.048 3.939 174 HE1 TRP 23 HE1 TRP 23 4.674 -10.525 4.879 175 HE3 TRP 23 HE3 TRP 23 2.841 -6.978 1.364 176 HZ2 TRP 23 HZ2 TRP 23 1.870 -10.793 4.415 177 HZ3 TRP 23 HZ3 TRP 23 0.518 -7.903 1.521 178 HH2 TRP 23 HH2 TRP 23 0.040 -9.801 3.060 179 H LEU 24 H LEU 24 4.497 -7.307 -0.267 180 HA LEU 24 HA LEU 24 3.239 -9.752 -0.379 181 1HB LEU 24 1HB LEU 24 2.336 -7.567 -1.026 182 2HB LEU 24 2HB LEU 24 3.332 -7.533 -2.472 183 HG LEU 24 HG LEU 24 0.887 -8.071 -2.732 184 1HD1 LEU 24 1HD2 LEU 24 2.652 -10.248 -3.903 185 2HD1 LEU 24 2HD2 LEU 24 1.130 -9.609 -4.524 186 3HD1 LEU 24 3HD2 LEU 24 2.569 -8.577 -4.500 187 1HD2 LEU 24 1HD1 LEU 24 0.039 -10.284 -2.284 188 2HD2 LEU 24 2HD1 LEU 24 1.604 -10.829 -1.661 189 3HD2 LEU 24 3HD1 LEU 24 0.673 -9.597 -0.778 190 H MET 25 H MET 25 5.706 -8.435 -2.529 191 HA MET 25 HA MET 25 5.782 -10.548 -4.472 192 1HB MET 25 1HB MET 25 7.729 -8.394 -3.592 193 2HB MET 25 2HB MET 25 8.166 -9.572 -4.823 194 1HG MET 25 1HG MET 25 5.716 -7.766 -4.993 195 2HG MET 25 2HG MET 25 7.271 -7.397 -5.739 196 1HE MET 25 1HE MET 25 8.260 -8.580 -7.804 197 2HE MET 25 2HE MET 25 8.225 -10.190 -7.041 198 3HE MET 25 3HE MET 25 7.510 -9.954 -8.647 199 H ASN 26 H ASN 26 7.885 -9.827 -1.635 200 HA ASN 26 HA ASN 26 9.568 -12.056 -1.832 201 1HB ASN 26 1HB ASN 26 9.980 -10.117 -0.368 202 2HB ASN 26 2HB ASN 26 8.613 -10.577 0.658 203 1HD2 ASN 26 2HD2 ASN 26 11.725 -11.838 -0.656 204 2HD2 ASN 26 1HD2 ASN 26 12.116 -12.802 0.751 205 H THR 27 H THR 27 6.380 -11.725 -0.229 206 HA THR 27 HA THR 27 6.336 -14.513 0.664 207 HB THR 27 HB THR 27 4.095 -13.902 1.478 208 HG1 THR 27 HG1 THR 27 3.723 -12.340 -0.255 209 1HG2 THR 27 1HG2 THR 27 6.134 -13.392 2.840 210 2HG2 THR 27 2HG2 THR 27 6.168 -11.758 2.150 211 3HG2 THR 27 3HG2 THR 27 4.789 -12.269 3.139 212 1HN NH2 28 1H NH2 28 6.868 -15.020 -1.776 213 2HN NH2 28 2H NH2 28 5.464 -15.378 -2.767 Start of MODEL 3 1 1H SER 1 1H SER 1 -10.545 -1.858 3.187 2 2H SER 1 2H SER 1 -10.786 -3.217 2.283 3 3H SER 1 3H SER 1 -9.266 -2.817 2.782 4 HA SER 1 HA SER 1 -9.538 -2.339 0.493 5 1HB SER 1 1HB SER 1 -11.110 -0.505 -0.170 6 2HB SER 1 2HB SER 1 -11.895 -2.000 0.361 7 HG SER 1 HG SER 1 -12.262 -1.040 2.378 8 H GLN 2 H GLN 2 -10.354 0.624 2.324 9 HA GLN 2 HA GLN 2 -7.594 1.327 2.794 10 1HB GLN 2 1HB GLN 2 -7.405 3.229 1.407 11 2HB GLN 2 2HB GLN 2 -7.869 1.904 0.351 12 1HG GLN 2 1HG GLN 2 -9.698 4.131 1.379 13 2HG GLN 2 2HG GLN 2 -9.001 3.989 -0.231 14 1HE2 GLN 2 2HE2 GLN 2 -11.502 2.815 1.943 15 2HE2 GLN 2 1HE2 GLN 2 -12.378 1.881 0.745 16 H GLY 3 H GLY 3 -7.393 3.265 4.080 17 1HA GLY 3 1HA GLY 3 -9.653 3.640 5.906 18 2HA GLY 3 2HA GLY 3 -8.018 4.303 6.030 19 H THR 4 H THR 4 -8.688 6.422 6.501 20 HA THR 4 HA THR 4 -10.463 7.945 4.789 21 HB THR 4 HB THR 4 -9.649 9.862 6.093 22 HG1 THR 4 HG1 THR 4 -8.063 9.450 7.712 23 1HG2 THR 4 1HG2 THR 4 -10.353 9.174 8.316 24 2HG2 THR 4 2HG2 THR 4 -11.380 8.385 7.103 25 3HG2 THR 4 3HG2 THR 4 -10.101 7.463 7.925 26 H THR 5 H THR 5 -9.603 9.977 3.664 27 HA THR 5 HA THR 5 -7.731 9.318 1.676 28 HB THR 5 HB THR 5 -9.423 11.016 1.384 29 HG1 THR 5 HG1 THR 5 -7.536 11.022 0.124 30 1HG2 THR 5 1HG2 THR 5 -9.257 13.251 2.251 31 2HG2 THR 5 2HG2 THR 5 -9.284 12.148 3.636 32 3HG2 THR 5 3HG2 THR 5 -7.755 12.895 3.110 33 H SER 6 H SER 6 -7.248 11.273 4.634 34 HA SER 6 HA SER 6 -4.506 11.813 4.305 35 1HB SER 6 1HB SER 6 -5.979 12.935 5.937 36 2HB SER 6 2HB SER 6 -6.109 11.430 6.871 37 HG SER 6 HG SER 6 -3.711 12.848 6.309 38 H GLU 7 H GLU 7 -6.159 9.011 5.861 39 HA GLU 7 HA GLU 7 -3.815 7.788 6.864 40 1HB GLU 7 1HB GLU 7 -6.032 7.231 7.678 41 2HB GLU 7 2HB GLU 7 -6.514 6.625 6.086 42 1HG GLU 7 1HG GLU 7 -6.001 4.803 7.655 43 2HG GLU 7 2HG GLU 7 -4.951 4.778 6.240 44 H TYR 8 H TYR 8 -5.697 6.956 3.852 45 HA TYR 8 HA TYR 8 -3.737 5.036 3.118 46 1HB TYR 8 1HB TYR 8 -4.901 4.679 1.102 47 2HB TYR 8 2HB TYR 8 -6.019 4.807 2.451 48 HD1 TYR 8 HD1 TYR 8 -8.013 5.852 1.950 49 HD2 TYR 8 HD2 TYR 8 -4.507 6.983 -0.285 50 HE1 TYR 8 HE1 TYR 8 -9.417 7.210 0.424 51 HE2 TYR 8 HE2 TYR 8 -5.882 8.450 -1.704 52 HH TYR 8 HH TYR 8 -8.004 9.188 -2.208 53 H SER 9 H SER 9 -3.883 8.488 2.421 54 HA SER 9 HA SER 9 -2.154 8.699 0.257 55 1HB SER 9 1HB SER 9 -2.386 10.428 2.734 56 2HB SER 9 2HB SER 9 -1.369 10.831 1.339 57 HG SER 9 HG SER 9 -4.157 10.353 1.264 58 H LYS 10 H LYS 10 -1.360 7.782 3.609 59 HA LYS 10 HA LYS 10 1.496 8.048 3.354 60 1HB LYS 10 1HB LYS 10 -0.064 6.238 5.216 61 2HB LYS 10 2HB LYS 10 1.595 6.813 5.405 62 1HG LYS 10 1HG LYS 10 -0.953 8.493 5.578 63 2HG LYS 10 2HG LYS 10 0.124 8.006 6.873 64 1HD LYS 10 1HD LYS 10 0.751 10.165 6.579 65 2HD LYS 10 2HD LYS 10 1.976 9.348 5.603 66 1HE LYS 10 1HE LYS 10 0.837 10.075 3.537 67 2HE LYS 10 2HE LYS 10 -0.596 10.558 4.453 68 1HZ LYS 10 1HZ LYS 10 0.757 12.391 3.830 69 2HZ LYS 10 2HZ LYS 10 0.727 12.250 5.472 70 3HZ LYS 10 3HZ LYS 10 2.061 11.774 4.629 71 H TYR 11 H TYR 11 -0.679 5.153 3.051 72 HA TYR 11 HA TYR 11 1.624 3.609 2.009 73 1HB TYR 11 1HB TYR 11 0.123 1.705 2.209 74 2HB TYR 11 2HB TYR 11 0.530 2.537 3.709 75 HD1 TYR 11 HD1 TYR 11 -1.136 3.188 5.230 76 HD2 TYR 11 HD2 TYR 11 -2.251 2.135 1.196 77 HE1 TYR 11 HE1 TYR 11 -3.491 2.975 5.930 78 HE2 TYR 11 HE2 TYR 11 -4.625 2.039 1.882 79 HH TYR 11 HH TYR 11 -5.657 2.620 5.265 80 H LEU 12 H LEU 12 0.351 5.826 0.600 81 HA LEU 12 HA LEU 12 -0.094 4.451 -1.968 82 1HB LEU 12 1HB LEU 12 -2.103 5.554 -1.326 83 2HB LEU 12 2HB LEU 12 -1.212 6.975 -0.769 84 HG LEU 12 HG LEU 12 -0.626 7.619 -3.026 85 1HD1 LEU 12 1HD2 LEU 12 -0.533 5.373 -4.131 86 2HD1 LEU 12 2HD2 LEU 12 -2.281 5.186 -3.894 87 3HD1 LEU 12 3HD2 LEU 12 -1.655 6.438 -4.985 88 1HD2 LEU 12 1HD1 LEU 12 -3.598 7.023 -2.727 89 2HD2 LEU 12 2HD1 LEU 12 -2.739 8.431 -2.065 90 3HD2 LEU 12 3HD1 LEU 12 -2.879 8.226 -3.819 91 H ASP 13 H ASP 13 1.454 7.033 -0.030 92 HA ASP 13 HA ASP 13 3.106 8.149 -2.041 93 1HB ASP 13 1HB ASP 13 2.578 9.152 0.168 94 2HB ASP 13 2HB ASP 13 3.525 7.893 0.967 95 H SER 14 H SER 14 5.485 7.893 -2.152 96 HA SER 14 HA SER 14 6.021 5.070 -2.651 97 1HB SER 14 1HB SER 14 7.942 5.969 -3.894 98 2HB SER 14 2HB SER 14 6.357 6.585 -4.427 99 HG SER 14 HG SER 14 8.137 7.927 -2.666 100 H ARG 15 H ARG 15 6.298 4.329 -0.609 101 HA ARG 15 HA ARG 15 8.959 3.920 0.173 102 1HB ARG 15 1HB ARG 15 9.081 6.079 1.163 103 2HB ARG 15 2HB ARG 15 7.417 6.009 1.750 104 1HG ARG 15 1HG ARG 15 9.001 5.819 3.567 105 2HG ARG 15 2HG ARG 15 7.991 4.378 3.449 106 1HD ARG 15 1HD ARG 15 9.831 3.143 2.350 107 2HD ARG 15 2HD ARG 15 10.847 4.585 2.388 108 HE ARG 15 HE ARG 15 10.229 2.719 4.540 109 1HH1 ARG 15 1HH1 ARG 15 11.287 6.061 3.892 110 2HH1 ARG 15 2HH1 ARG 15 12.051 6.231 5.454 111 1HH2 ARG 15 1HH2 ARG 15 11.230 2.987 6.563 112 2HH2 ARG 15 2HH2 ARG 15 12.017 4.495 6.966 113 H ARG 16 H ARG 16 5.699 4.376 1.469 114 HA ARG 16 HA ARG 16 5.748 1.888 3.052 115 1HB ARG 16 1HB ARG 16 3.759 4.083 2.502 116 2HB ARG 16 2HB ARG 16 3.271 2.612 3.377 117 1HG ARG 16 1HG ARG 16 4.586 3.027 5.188 118 2HG ARG 16 2HG ARG 16 5.784 3.972 4.286 119 1HD ARG 16 1HD ARG 16 2.969 4.954 4.837 120 2HD ARG 16 2HD ARG 16 4.343 5.332 5.883 121 HE ARG 16 HE ARG 16 3.748 6.433 3.235 122 1HH1 ARG 16 1HH1 ARG 16 6.360 5.888 5.605 123 2HH1 ARG 16 2HH1 ARG 16 7.342 7.188 4.975 124 1HH2 ARG 16 1HH2 ARG 16 5.068 8.124 2.455 125 2HH2 ARG 16 2HH2 ARG 16 6.614 8.448 3.200 126 H ALA 17 H ALA 17 4.000 3.167 0.182 127 HA ALA 17 HA ALA 17 2.704 0.771 -0.568 128 1HB ALA 17 1HB ALA 17 2.199 2.960 -1.539 129 2HB ALA 17 2HB ALA 17 3.810 3.034 -2.272 130 3HB ALA 17 3HB ALA 17 2.646 1.802 -2.813 131 H GLN 18 H GLN 18 6.085 1.889 -1.047 132 HA GLN 18 HA GLN 18 6.691 -0.192 -2.989 133 1HB GLN 18 1HB GLN 18 8.713 1.341 -1.302 134 2HB GLN 18 2HB GLN 18 8.971 0.505 -2.836 135 1HG GLN 18 1HG GLN 18 7.556 3.113 -2.318 136 2HG GLN 18 2HG GLN 18 8.965 2.820 -3.332 137 1HE2 GLN 18 2HE2 GLN 18 5.591 3.156 -3.213 138 2HE2 GLN 18 1HE2 GLN 18 5.206 2.671 -4.858 139 H ASP 19 H ASP 19 7.096 0.230 0.511 140 HA ASP 19 HA ASP 19 8.642 -2.130 0.988 141 1HB ASP 19 1HB ASP 19 8.485 -0.282 2.594 142 2HB ASP 19 2HB ASP 19 6.751 -0.566 2.798 143 H PHE 20 H PHE 20 5.136 -1.423 1.047 144 HA PHE 20 HA PHE 20 4.273 -4.032 1.814 145 1HB PHE 20 1HB PHE 20 2.848 -1.808 0.320 146 2HB PHE 20 2HB PHE 20 2.078 -3.253 0.976 147 HD1 PHE 20 HD1 PHE 20 0.759 -1.020 1.763 148 HD2 PHE 20 HD2 PHE 20 4.474 -2.439 3.466 149 HE1 PHE 20 HE1 PHE 20 0.188 0.020 3.943 150 HE2 PHE 20 HE2 PHE 20 3.963 -1.267 5.550 151 HZ PHE 20 HZ PHE 20 1.819 -0.037 5.814 152 H VAL 21 H VAL 21 4.889 -2.539 -1.429 153 HA VAL 21 HA VAL 21 3.875 -4.848 -2.837 154 HB VAL 21 HB VAL 21 5.646 -2.510 -3.618 155 1HG1 VAL 21 1HG1 VAL 21 6.469 -4.349 -5.003 156 2HG1 VAL 21 2HG1 VAL 21 4.806 -4.856 -5.378 157 3HG1 VAL 21 3HG1 VAL 21 5.433 -3.308 -5.982 158 1HG2 VAL 21 1HG2 VAL 21 3.123 -2.229 -3.317 159 2HG2 VAL 21 2HG2 VAL 21 3.708 -1.875 -4.952 160 3HG2 VAL 21 3HG2 VAL 21 2.900 -3.417 -4.606 161 H GLN 22 H GLN 22 7.194 -3.844 -1.898 162 HA GLN 22 HA GLN 22 8.556 -6.070 -2.885 163 1HB GLN 22 1HB GLN 22 9.634 -4.038 -2.027 164 2HB GLN 22 2HB GLN 22 9.082 -4.405 -0.387 165 1HG GLN 22 1HG GLN 22 11.436 -4.958 -0.672 166 2HG GLN 22 2HG GLN 22 10.507 -6.411 -0.316 167 1HE2 GLN 22 2HE2 GLN 22 10.214 -8.000 -2.006 168 2HE2 GLN 22 1HE2 GLN 22 11.211 -7.984 -3.451 169 H TRP 23 H TRP 23 6.571 -5.744 0.086 170 HA TRP 23 HA TRP 23 7.575 -8.140 1.357 171 1HB TRP 23 1HB TRP 23 6.665 -6.470 2.773 172 2HB TRP 23 2HB TRP 23 5.254 -6.237 1.748 173 HD1 TRP 23 HD1 TRP 23 6.704 -8.964 3.972 174 HE1 TRP 23 HE1 TRP 23 4.722 -10.367 4.988 175 HE3 TRP 23 HE3 TRP 23 2.899 -6.865 1.419 176 HZ2 TRP 23 HZ2 TRP 23 1.899 -10.562 4.605 177 HZ3 TRP 23 HZ3 TRP 23 0.551 -7.700 1.679 178 HH2 TRP 23 HH2 TRP 23 0.061 -9.545 3.279 179 H LEU 24 H LEU 24 4.510 -7.220 -0.214 180 HA LEU 24 HA LEU 24 3.199 -9.627 -0.362 181 1HB LEU 24 1HB LEU 24 2.287 -7.423 -0.968 182 2HB LEU 24 2HB LEU 24 3.316 -7.376 -2.402 183 HG LEU 24 HG LEU 24 2.101 -9.316 -3.360 184 1HD1 LEU 24 1HD2 LEU 24 0.386 -9.095 -0.841 185 2HD1 LEU 24 2HD2 LEU 24 -0.050 -10.029 -2.287 186 3HD1 LEU 24 3HD2 LEU 24 1.362 -10.497 -1.337 187 1HD2 LEU 24 1HD1 LEU 24 0.288 -7.050 -2.437 188 2HD2 LEU 24 2HD1 LEU 24 1.376 -7.008 -3.842 189 3HD2 LEU 24 3HD1 LEU 24 0.001 -8.127 -3.821 190 H MET 25 H MET 25 5.741 -8.370 -2.473 191 HA MET 25 HA MET 25 5.655 -10.450 -4.461 192 1HB MET 25 1HB MET 25 7.714 -8.386 -3.639 193 2HB MET 25 2HB MET 25 8.057 -9.583 -4.890 194 1HG MET 25 1HG MET 25 5.653 -7.719 -5.000 195 2HG MET 25 2HG MET 25 7.220 -7.354 -5.733 196 1HE MET 25 1HE MET 25 4.891 -8.033 -8.796 197 2HE MET 25 2HE MET 25 4.426 -7.284 -7.252 198 3HE MET 25 3HE MET 25 5.988 -6.878 -8.004 199 H ASN 26 H ASN 26 7.872 -9.895 -1.644 200 HA ASN 26 HA ASN 26 9.379 -12.262 -1.980 201 1HB ASN 26 1HB ASN 26 8.686 -10.751 0.582 202 2HB ASN 26 2HB ASN 26 9.906 -12.022 0.457 203 1HD2 ASN 26 2HD2 ASN 26 11.240 -11.418 -1.933 204 2HD2 ASN 26 1HD2 ASN 26 12.023 -9.863 -1.748 205 H THR 27 H THR 27 6.312 -11.733 -0.196 206 HA THR 27 HA THR 27 6.206 -14.406 0.864 207 HB THR 27 HB THR 27 3.848 -13.787 1.388 208 HG1 THR 27 HG1 THR 27 3.576 -12.349 -0.436 209 1HG2 THR 27 1HG2 THR 27 5.732 -13.208 2.911 210 2HG2 THR 27 2HG2 THR 27 5.917 -11.648 2.090 211 3HG2 THR 27 3HG2 THR 27 4.420 -12.010 2.966 212 1HN NH2 28 1H NH2 28 4.781 -12.841 -2.070 213 2HN NH2 28 2H NH2 28 4.281 -14.351 -2.801 Start of MODEL 4 1 1H SER 1 1H SER 1 -7.926 -4.390 6.687 2 2H SER 1 2H SER 1 -8.390 -2.891 7.202 3 3H SER 1 3H SER 1 -7.451 -3.841 8.169 4 HA SER 1 HA SER 1 -9.165 -5.425 8.422 5 1HB SER 1 1HB SER 1 -10.768 -4.025 9.730 6 2HB SER 1 2HB SER 1 -9.063 -3.703 10.096 7 HG SER 1 HG SER 1 -10.269 -1.782 9.821 8 H GLN 2 H GLN 2 -10.597 -2.511 6.890 9 HA GLN 2 HA GLN 2 -12.945 -3.896 5.971 10 1HB GLN 2 1HB GLN 2 -11.779 -1.230 5.112 11 2HB GLN 2 2HB GLN 2 -13.422 -1.788 4.797 12 1HG GLN 2 1HG GLN 2 -13.983 -1.731 7.144 13 2HG GLN 2 2HG GLN 2 -12.311 -1.395 7.613 14 1HE2 GLN 2 2HE2 GLN 2 -11.288 0.612 6.688 15 2HE2 GLN 2 1HE2 GLN 2 -12.301 2.035 6.543 16 H GLY 3 H GLY 3 -9.863 -2.929 4.446 17 1HA GLY 3 1HA GLY 3 -8.849 -3.640 2.505 18 2HA GLY 3 2HA GLY 3 -10.180 -4.771 2.204 19 H THR 4 H THR 4 -9.990 -1.230 2.694 20 HA THR 4 HA THR 4 -11.161 -0.646 0.028 21 HB THR 4 HB THR 4 -12.754 0.901 1.110 22 HG1 THR 4 HG1 THR 4 -12.971 0.763 3.399 23 1HG2 THR 4 1HG2 THR 4 -13.044 -1.863 2.342 24 2HG2 THR 4 2HG2 THR 4 -14.315 -0.667 2.053 25 3HG2 THR 4 3HG2 THR 4 -13.491 -1.428 0.679 26 H THR 5 H THR 5 -11.337 2.068 0.299 27 HA THR 5 HA THR 5 -8.896 3.117 -0.260 28 HB THR 5 HB THR 5 -11.174 4.564 1.140 29 HG1 THR 5 HG1 THR 5 -11.920 4.813 -1.014 30 1HG2 THR 5 1HG2 THR 5 -9.146 5.963 0.828 31 2HG2 THR 5 2HG2 THR 5 -9.094 5.505 -0.891 32 3HG2 THR 5 3HG2 THR 5 -10.443 6.473 -0.264 33 H SER 6 H SER 6 -10.383 3.079 3.002 34 HA SER 6 HA SER 6 -8.526 4.520 4.449 35 1HB SER 6 1HB SER 6 -9.962 1.976 5.307 36 2HB SER 6 2HB SER 6 -9.262 3.195 6.388 37 HG SER 6 HG SER 6 -11.381 3.576 4.533 38 H GLU 7 H GLU 7 -8.304 1.087 3.453 39 HA GLU 7 HA GLU 7 -5.803 0.641 4.896 40 1HB GLU 7 1HB GLU 7 -7.425 -1.105 2.986 41 2HB GLU 7 2HB GLU 7 -5.918 -1.573 3.765 42 1HG GLU 7 1HG GLU 7 -7.696 -2.509 5.022 43 2HG GLU 7 2HG GLU 7 -6.912 -1.257 5.997 44 H TYR 8 H TYR 8 -6.774 0.408 1.397 45 HA TYR 8 HA TYR 8 -4.103 0.011 0.619 46 1HB TYR 8 1HB TYR 8 -4.747 0.101 -1.622 47 2HB TYR 8 2HB TYR 8 -5.969 -0.759 -0.703 48 HD1 TYR 8 HD1 TYR 8 -5.187 2.633 -2.202 49 HD2 TYR 8 HD2 TYR 8 -8.201 -0.259 -1.141 50 HE1 TYR 8 HE1 TYR 8 -6.905 4.012 -3.318 51 HE2 TYR 8 HE2 TYR 8 -9.902 1.064 -2.366 52 HH TYR 8 HH TYR 8 -10.350 3.043 -3.464 53 H SER 9 H SER 9 -5.852 3.111 0.895 54 HA SER 9 HA SER 9 -4.170 4.709 -0.643 55 1HB SER 9 1HB SER 9 -5.589 5.417 1.945 56 2HB SER 9 2HB SER 9 -4.851 6.576 0.822 57 HG SER 9 HG SER 9 -6.953 4.768 0.264 58 H LYS 10 H LYS 10 -3.487 3.239 2.518 59 HA LYS 10 HA LYS 10 -1.171 4.841 3.105 60 1HB LYS 10 1HB LYS 10 -1.825 2.038 4.059 61 2HB LYS 10 2HB LYS 10 -0.753 3.217 4.815 62 1HG LYS 10 1HG LYS 10 -3.798 3.374 4.615 63 2HG LYS 10 2HG LYS 10 -2.815 3.025 6.025 64 1HD LYS 10 1HD LYS 10 -3.372 5.189 6.411 65 2HD LYS 10 2HD LYS 10 -1.779 5.398 5.680 66 1HE LYS 10 1HE LYS 10 -2.828 6.157 3.579 67 2HE LYS 10 2HE LYS 10 -4.419 5.619 4.138 68 1HZ LYS 10 1HZ LYS 10 -2.801 7.764 5.307 69 2HZ LYS 10 2HZ LYS 10 -4.116 7.958 4.330 70 3HZ LYS 10 3HZ LYS 10 -4.293 7.291 5.828 71 H TYR 11 H TYR 11 -1.592 1.478 1.757 72 HA TYR 11 HA TYR 11 1.235 1.513 0.950 73 1HB TYR 11 1HB TYR 11 0.822 -0.860 0.413 74 2HB TYR 11 2HB TYR 11 0.717 -0.398 2.108 75 HD1 TYR 11 HD1 TYR 11 -1.188 -1.710 -0.783 76 HD2 TYR 11 HD2 TYR 11 -1.356 -0.540 3.366 77 HE1 TYR 11 HE1 TYR 11 -3.285 -2.986 -0.506 78 HE2 TYR 11 HE2 TYR 11 -3.431 -1.852 3.649 79 HH TYR 11 HH TYR 11 -4.982 -3.227 2.639 80 H LEU 12 H LEU 12 -0.155 3.356 -0.274 81 HA LEU 12 HA LEU 12 -0.189 2.513 -3.085 82 1HB LEU 12 1HB LEU 12 -2.459 2.699 -2.437 83 2HB LEU 12 2HB LEU 12 -2.172 4.198 -1.551 84 HG LEU 12 HG LEU 12 -3.500 4.445 -3.556 85 1HD1 LEU 12 1HD1 LEU 12 -2.110 6.349 -2.697 86 2HD1 LEU 12 2HD1 LEU 12 -0.944 6.011 -3.999 87 3HD1 LEU 12 3HD1 LEU 12 -2.604 6.447 -4.395 88 1HD2 LEU 12 1HD2 LEU 12 -2.420 2.708 -4.961 89 2HD2 LEU 12 2HD2 LEU 12 -2.528 4.263 -5.809 90 3HD2 LEU 12 3HD2 LEU 12 -0.978 3.734 -5.125 91 H ASP 13 H ASP 13 -0.119 5.081 -0.659 92 HA ASP 13 HA ASP 13 0.778 7.321 -1.762 93 1HB ASP 13 1HB ASP 13 0.128 6.991 0.543 94 2HB ASP 13 2HB ASP 13 1.593 6.072 0.866 95 H SER 14 H SER 14 3.390 5.980 0.039 96 HA SER 14 HA SER 14 5.263 6.272 -2.270 97 1HB SER 14 1HB SER 14 5.451 7.800 0.359 98 2HB SER 14 2HB SER 14 6.663 7.806 -0.948 99 HG SER 14 HG SER 14 5.207 9.573 -1.042 100 H ARG 15 H ARG 15 6.880 6.337 0.717 101 HA ARG 15 HA ARG 15 8.443 4.161 0.172 102 1HB ARG 15 1HB ARG 15 8.883 5.970 1.799 103 2HB ARG 15 2HB ARG 15 7.752 5.247 2.941 104 1HG ARG 15 1HG ARG 15 10.298 3.921 1.880 105 2HG ARG 15 2HG ARG 15 10.150 4.813 3.394 106 1HD ARG 15 1HD ARG 15 8.301 3.077 4.035 107 2HD ARG 15 2HD ARG 15 8.950 2.117 2.701 108 HE ARG 15 HE ARG 15 10.807 1.601 3.867 109 1HH1 ARG 15 1HH1 ARG 15 9.181 4.275 5.572 110 2HH1 ARG 15 2HH1 ARG 15 10.196 4.128 6.987 111 1HH2 ARG 15 1HH2 ARG 15 12.110 1.450 5.725 112 2HH2 ARG 15 2HH2 ARG 15 11.857 2.535 7.072 113 H ARG 16 H ARG 16 5.769 4.182 2.575 114 HA ARG 16 HA ARG 16 5.882 1.479 3.270 115 1HB ARG 16 1HB ARG 16 3.589 1.788 4.119 116 2HB ARG 16 2HB ARG 16 4.700 3.078 4.605 117 1HG ARG 16 1HG ARG 16 3.778 4.556 2.835 118 2HG ARG 16 2HG ARG 16 2.694 3.251 2.328 119 1HD ARG 16 1HD ARG 16 1.507 3.333 4.433 120 2HD ARG 16 2HD ARG 16 2.720 4.423 5.134 121 HE ARG 16 HE ARG 16 1.245 5.293 2.722 122 1HH1 ARG 16 1HH1 ARG 16 1.533 5.614 6.268 123 2HH1 ARG 16 2HH1 ARG 16 0.640 7.114 6.297 124 1HH2 ARG 16 1HH2 ARG 16 0.127 7.256 2.815 125 2HH2 ARG 16 2HH2 ARG 16 -0.165 8.039 4.352 126 H ALA 17 H ALA 17 4.383 2.973 0.414 127 HA ALA 17 HA ALA 17 2.865 0.640 -0.356 128 1HB ALA 17 1HB ALA 17 3.802 2.902 -2.154 129 2HB ALA 17 2HB ALA 17 2.424 1.819 -2.372 130 3HB ALA 17 3HB ALA 17 2.422 3.024 -1.059 131 H GLN 18 H GLN 18 6.103 1.964 -1.285 132 HA GLN 18 HA GLN 18 6.636 -0.116 -3.178 133 1HB GLN 18 1HB GLN 18 8.793 1.311 -1.578 134 2HB GLN 18 2HB GLN 18 8.887 0.612 -3.195 135 1HG GLN 18 1HG GLN 18 7.675 3.216 -2.298 136 2HG GLN 18 2HG GLN 18 8.876 2.923 -3.542 137 1HE2 GLN 18 2HE2 GLN 18 5.672 3.722 -3.044 138 2HE2 GLN 18 1HE2 GLN 18 5.022 3.275 -4.609 139 H ASP 19 H ASP 19 7.310 0.208 0.297 140 HA ASP 19 HA ASP 19 8.818 -2.180 0.645 141 1HB ASP 19 1HB ASP 19 8.774 -0.340 2.267 142 2HB ASP 19 2HB ASP 19 7.054 -0.614 2.576 143 H PHE 20 H PHE 20 5.313 -1.450 1.004 144 HA PHE 20 HA PHE 20 4.439 -4.037 1.707 145 1HB PHE 20 1HB PHE 20 3.086 -2.018 1.917 146 2HB PHE 20 2HB PHE 20 3.026 -1.842 0.163 147 HD1 PHE 20 HD1 PHE 20 1.659 -3.385 -1.207 148 HD2 PHE 20 HD2 PHE 20 1.722 -3.628 3.094 149 HE1 PHE 20 HE1 PHE 20 -0.403 -4.776 -1.254 150 HE2 PHE 20 HE2 PHE 20 -0.361 -4.984 3.046 151 HZ PHE 20 HZ PHE 20 -1.421 -5.562 0.873 152 H VAL 21 H VAL 21 5.027 -2.558 -1.555 153 HA VAL 21 HA VAL 21 3.973 -4.850 -2.949 154 HB VAL 21 HB VAL 21 5.719 -2.501 -3.762 155 1HG1 VAL 21 1HG2 VAL 21 6.470 -4.299 -5.214 156 2HG1 VAL 21 2HG2 VAL 21 4.792 -4.812 -5.522 157 3HG1 VAL 21 3HG2 VAL 21 5.384 -3.251 -6.129 158 1HG2 VAL 21 1HG1 VAL 21 2.914 -3.366 -4.608 159 2HG2 VAL 21 2HG1 VAL 21 3.236 -2.177 -3.338 160 3HG2 VAL 21 3HG1 VAL 21 3.725 -1.838 -5.006 161 H GLN 22 H GLN 22 7.294 -3.891 -2.019 162 HA GLN 22 HA GLN 22 8.638 -6.106 -3.101 163 1HB GLN 22 1HB GLN 22 9.631 -3.989 -2.124 164 2HB GLN 22 2HB GLN 22 9.273 -4.624 -0.513 165 1HG GLN 22 1HG GLN 22 11.567 -5.085 -0.992 166 2HG GLN 22 2HG GLN 22 10.708 -6.625 -1.032 167 1HE2 GLN 22 2HE2 GLN 22 11.882 -3.947 -3.155 168 2HE2 GLN 22 1HE2 GLN 22 12.207 -4.960 -4.546 169 H TRP 23 H TRP 23 6.736 -5.789 -0.094 170 HA TRP 23 HA TRP 23 7.670 -8.242 1.125 171 1HB TRP 23 1HB TRP 23 6.836 -6.587 2.597 172 2HB TRP 23 2HB TRP 23 5.427 -6.266 1.593 173 HD1 TRP 23 HD1 TRP 23 6.779 -9.131 3.701 174 HE1 TRP 23 HE1 TRP 23 4.752 -10.479 4.700 175 HE3 TRP 23 HE3 TRP 23 3.044 -6.802 1.255 176 HZ2 TRP 23 HZ2 TRP 23 1.917 -10.527 4.362 177 HZ3 TRP 23 HZ3 TRP 23 0.668 -7.554 1.506 178 HH2 TRP 23 HH2 TRP 23 0.111 -9.399 3.082 179 H LEU 24 H LEU 24 4.648 -7.197 -0.433 180 HA LEU 24 HA LEU 24 3.202 -9.528 -0.544 181 1HB LEU 24 1HB LEU 24 2.420 -7.272 -1.171 182 2HB LEU 24 2HB LEU 24 3.426 -7.322 -2.622 183 HG LEU 24 HG LEU 24 2.076 -9.209 -3.509 184 1HD1 LEU 24 1HD1 LEU 24 0.415 -8.796 -0.977 185 2HD1 LEU 24 2HD1 LEU 24 -0.105 -9.738 -2.389 186 3HD1 LEU 24 3HD1 LEU 24 1.284 -10.277 -1.444 187 1HD2 LEU 24 1HD2 LEU 24 0.432 -6.799 -2.629 188 2HD2 LEU 24 2HD2 LEU 24 1.502 -6.867 -4.046 189 3HD2 LEU 24 3HD2 LEU 24 0.056 -7.890 -3.980 190 H MET 25 H MET 25 5.750 -8.387 -2.719 191 HA MET 25 HA MET 25 5.634 -10.523 -4.641 192 1HB MET 25 1HB MET 25 7.811 -8.568 -3.822 193 2HB MET 25 2HB MET 25 8.074 -9.817 -5.046 194 1HG MET 25 1HG MET 25 6.448 -8.914 -6.506 195 2HG MET 25 2HG MET 25 5.745 -7.893 -5.255 196 1HE MET 25 1HE MET 25 9.687 -8.258 -5.881 197 2HE MET 25 2HE MET 25 8.925 -8.520 -7.471 198 3HE MET 25 3HE MET 25 9.883 -7.054 -7.168 199 H ASN 26 H ASN 26 7.906 -9.940 -1.883 200 HA ASN 26 HA ASN 26 8.869 -12.709 -2.024 201 1HB ASN 26 1HB ASN 26 9.614 -10.377 -0.225 202 2HB ASN 26 2HB ASN 26 10.384 -11.970 -0.207 203 1HD2 ASN 26 2HD2 ASN 26 9.926 -9.025 -2.141 204 2HD2 ASN 26 1HD2 ASN 26 11.258 -9.319 -3.232 205 H THR 27 H THR 27 6.268 -12.972 -1.561 206 HA THR 27 HA THR 27 6.318 -14.545 0.802 207 HB THR 27 HB THR 27 5.779 -12.259 1.794 208 HG1 THR 27 HG1 THR 27 4.242 -13.209 3.150 209 1HG2 THR 27 1HG2 THR 27 4.132 -11.547 0.029 210 2HG2 THR 27 2HG2 THR 27 2.990 -12.740 0.683 211 3HG2 THR 27 3HG2 THR 27 3.555 -11.403 1.695 212 1HN NH2 28 1H NH2 28 4.245 -12.960 -1.702 213 2HN NH2 28 2H NH2 28 3.349 -14.415 -2.069 Start of MODEL 5 1 1H SER 1 1H SER 1 -11.427 0.786 -2.757 2 2H SER 1 2H SER 1 -12.578 -0.385 -2.909 3 3H SER 1 3H SER 1 -12.980 1.200 -3.128 4 HA SER 1 HA SER 1 -12.517 1.718 -0.881 5 1HB SER 1 1HB SER 1 -14.448 -0.613 -1.205 6 2HB SER 1 2HB SER 1 -14.379 0.492 0.183 7 HG SER 1 HG SER 1 -14.896 1.198 -2.518 8 H GLN 2 H GLN 2 -12.393 -1.844 -1.375 9 HA GLN 2 HA GLN 2 -11.392 -3.513 -0.257 10 1HB GLN 2 1HB GLN 2 -9.372 -2.162 -1.105 11 2HB GLN 2 2HB GLN 2 -9.232 -1.535 0.542 12 1HG GLN 2 1HG GLN 2 -9.301 -4.130 1.193 13 2HG GLN 2 2HG GLN 2 -8.847 -4.350 -0.498 14 1HE2 GLN 2 2HE2 GLN 2 -7.957 -2.746 2.580 15 2HE2 GLN 2 1HE2 GLN 2 -6.234 -2.665 2.246 16 H GLY 3 H GLY 3 -13.453 -2.738 1.121 17 1HA GLY 3 1HA GLY 3 -14.378 -2.876 3.227 18 2HA GLY 3 2HA GLY 3 -12.769 -2.961 3.961 19 H THR 4 H THR 4 -11.459 -0.878 3.780 20 HA THR 4 HA THR 4 -13.084 1.612 3.847 21 HB THR 4 HB THR 4 -11.000 0.831 5.927 22 HG1 THR 4 HG1 THR 4 -12.803 0.678 7.305 23 1HG2 THR 4 1HG2 THR 4 -12.922 3.198 5.763 24 2HG2 THR 4 2HG2 THR 4 -11.842 2.833 7.125 25 3HG2 THR 4 3HG2 THR 4 -11.159 3.275 5.554 26 H THR 5 H THR 5 -12.085 3.233 2.766 27 HA THR 5 HA THR 5 -10.033 2.724 0.985 28 HB THR 5 HB THR 5 -9.922 5.216 0.702 29 HG1 THR 5 HG1 THR 5 -11.851 5.229 2.784 30 1HG2 THR 5 1HG2 THR 5 -12.747 4.067 0.869 31 2HG2 THR 5 2HG2 THR 5 -12.247 5.510 -0.034 32 3HG2 THR 5 3HG2 THR 5 -11.629 3.918 -0.504 33 H SER 6 H SER 6 -9.806 4.266 4.164 34 HA SER 6 HA SER 6 -7.274 5.185 4.348 35 1HB SER 6 1HB SER 6 -8.699 3.541 6.475 36 2HB SER 6 2HB SER 6 -7.461 4.786 6.738 37 HG SER 6 HG SER 6 -8.925 6.281 5.762 38 H GLU 7 H GLU 7 -8.198 1.729 4.387 39 HA GLU 7 HA GLU 7 -5.810 0.626 5.407 40 1HB GLU 7 1HB GLU 7 -7.787 -0.490 3.376 41 2HB GLU 7 2HB GLU 7 -6.514 -1.419 4.192 42 1HG GLU 7 1HG GLU 7 -7.523 -1.052 6.360 43 2HG GLU 7 2HG GLU 7 -8.712 0.070 5.684 44 H TYR 8 H TYR 8 -6.794 0.834 1.915 45 HA TYR 8 HA TYR 8 -4.162 0.168 1.028 46 1HB TYR 8 1HB TYR 8 -4.901 0.567 -1.180 47 2HB TYR 8 2HB TYR 8 -6.141 -0.313 -0.302 48 HD1 TYR 8 HD1 TYR 8 -5.178 3.143 -1.497 49 HD2 TYR 8 HD2 TYR 8 -8.367 0.468 -0.378 50 HE1 TYR 8 HE1 TYR 8 -6.839 4.825 -2.205 51 HE2 TYR 8 HE2 TYR 8 -10.018 2.055 -1.333 52 HH TYR 8 HH TYR 8 -9.070 5.288 -2.545 53 H SER 9 H SER 9 -5.749 3.262 1.695 54 HA SER 9 HA SER 9 -4.252 5.029 0.228 55 1HB SER 9 1HB SER 9 -5.291 5.406 3.053 56 2HB SER 9 2HB SER 9 -4.755 6.703 1.972 57 HG SER 9 HG SER 9 -6.842 4.866 1.409 58 H LYS 10 H LYS 10 -3.135 3.276 3.110 59 HA LYS 10 HA LYS 10 -0.743 4.863 3.503 60 1HB LYS 10 1HB LYS 10 -1.256 1.973 4.273 61 2HB LYS 10 2HB LYS 10 -0.029 3.064 4.926 62 1HG LYS 10 1HG LYS 10 -3.052 3.230 5.307 63 2HG LYS 10 2HG LYS 10 -1.828 2.782 6.479 64 1HD LYS 10 1HD LYS 10 -2.268 4.900 7.146 65 2HD LYS 10 2HD LYS 10 -0.866 5.197 6.113 66 1HE LYS 10 1HE LYS 10 -2.344 6.085 4.344 67 2HE LYS 10 2HE LYS 10 -3.777 5.493 5.196 68 1HZ LYS 10 1HZ LYS 10 -1.936 7.566 6.141 69 2HZ LYS 10 2HZ LYS 10 -3.431 7.813 5.490 70 3HZ LYS 10 3HZ LYS 10 -3.280 7.036 6.937 71 H TYR 11 H TYR 11 -1.297 1.620 1.955 72 HA TYR 11 HA TYR 11 1.404 1.745 0.810 73 1HB TYR 11 1HB TYR 11 0.902 -0.594 0.126 74 2HB TYR 11 2HB TYR 11 0.987 -0.273 1.852 75 HD1 TYR 11 HD1 TYR 11 -0.940 -0.507 3.306 76 HD2 TYR 11 HD2 TYR 11 -1.258 -1.249 -0.931 77 HE1 TYR 11 HE1 TYR 11 -2.964 -1.885 3.693 78 HE2 TYR 11 HE2 TYR 11 -3.307 -2.577 -0.544 79 HH TYR 11 HH TYR 11 -4.754 -3.450 1.017 80 H LEU 12 H LEU 12 -0.268 3.642 -0.070 81 HA LEU 12 HA LEU 12 -0.642 3.047 -2.927 82 1HB LEU 12 1HB LEU 12 -2.758 3.210 -1.885 83 2HB LEU 12 2HB LEU 12 -2.291 4.621 -0.941 84 HG LEU 12 HG LEU 12 -3.955 5.005 -2.682 85 1HD1 LEU 12 1HD2 LEU 12 -1.529 6.719 -3.269 86 2HD1 LEU 12 2HD2 LEU 12 -3.238 7.117 -3.413 87 3HD1 LEU 12 3HD2 LEU 12 -2.534 6.853 -1.810 88 1HD2 LEU 12 1HD1 LEU 12 -3.353 5.107 -5.052 89 2HD2 LEU 12 2HD1 LEU 12 -1.705 4.561 -4.692 90 3HD2 LEU 12 3HD1 LEU 12 -3.082 3.474 -4.414 91 H ASP 13 H ASP 13 0.489 5.080 -0.277 92 HA ASP 13 HA ASP 13 1.244 7.394 -1.767 93 1HB ASP 13 1HB ASP 13 0.449 7.216 0.600 94 2HB ASP 13 2HB ASP 13 1.941 6.387 1.023 95 H SER 14 H SER 14 3.958 7.269 -0.052 96 HA SER 14 HA SER 14 5.497 6.380 -2.402 97 1HB SER 14 1HB SER 14 7.293 7.717 -1.360 98 2HB SER 14 2HB SER 14 5.814 8.630 -1.703 99 HG SER 14 HG SER 14 6.587 9.096 0.370 100 H ARG 15 H ARG 15 7.039 6.462 0.691 101 HA ARG 15 HA ARG 15 8.588 4.253 0.300 102 1HB ARG 15 1HB ARG 15 8.943 5.992 1.980 103 2HB ARG 15 2HB ARG 15 7.642 5.355 2.982 104 1HG ARG 15 1HG ARG 15 10.176 3.812 2.246 105 2HG ARG 15 2HG ARG 15 9.958 4.788 3.704 106 1HD ARG 15 1HD ARG 15 7.934 3.297 4.257 107 2HD ARG 15 2HD ARG 15 8.558 2.190 3.009 108 HE ARG 15 HE ARG 15 10.672 2.836 4.757 109 1HH1 ARG 15 1HH1 ARG 15 7.619 1.005 4.712 110 2HH1 ARG 15 2HH1 ARG 15 8.174 -0.166 5.884 111 1HH2 ARG 15 1HH2 ARG 15 11.365 1.285 6.288 112 2HH2 ARG 15 2HH2 ARG 15 10.293 -0.007 6.779 113 H ARG 16 H ARG 16 5.728 4.219 2.508 114 HA ARG 16 HA ARG 16 5.975 1.498 3.073 115 1HB ARG 16 1HB ARG 16 3.939 1.601 4.201 116 2HB ARG 16 2HB ARG 16 4.826 3.091 4.498 117 1HG ARG 16 1HG ARG 16 3.031 3.394 2.188 118 2HG ARG 16 2HG ARG 16 2.170 2.739 3.587 119 1HD ARG 16 1HD ARG 16 1.934 5.058 3.741 120 2HD ARG 16 2HD ARG 16 3.149 4.661 4.947 121 HE ARG 16 HE ARG 16 3.521 5.924 2.246 122 1HH1 ARG 16 1HH1 ARG 16 4.994 5.209 5.429 123 2HH1 ARG 16 2HH1 ARG 16 6.290 6.352 5.183 124 1HH2 ARG 16 1HH2 ARG 16 5.233 7.393 1.994 125 2HH2 ARG 16 2HH2 ARG 16 6.427 7.575 3.257 126 H ALA 17 H ALA 17 4.482 3.003 0.262 127 HA ALA 17 HA ALA 17 2.914 0.696 -0.523 128 1HB ALA 17 1HB ALA 17 2.453 3.028 -1.287 129 2HB ALA 17 2HB ALA 17 3.944 2.978 -2.239 130 3HB ALA 17 3HB ALA 17 2.626 1.857 -2.612 131 H GLN 18 H GLN 18 6.207 1.951 -1.315 132 HA GLN 18 HA GLN 18 6.799 -0.159 -3.164 133 1HB GLN 18 1HB GLN 18 8.895 1.253 -1.477 134 2HB GLN 18 2HB GLN 18 9.049 0.545 -3.085 135 1HG GLN 18 1HG GLN 18 7.825 3.166 -2.254 136 2HG GLN 18 2HG GLN 18 9.086 2.861 -3.434 137 1HE2 GLN 18 2HE2 GLN 18 5.840 3.656 -3.094 138 2HE2 GLN 18 1HE2 GLN 18 5.283 3.209 -4.695 139 H ASP 19 H ASP 19 7.244 0.217 0.345 140 HA ASP 19 HA ASP 19 8.717 -2.184 0.797 141 1HB ASP 19 1HB ASP 19 8.612 -0.303 2.385 142 2HB ASP 19 2HB ASP 19 6.889 -0.613 2.652 143 H PHE 20 H PHE 20 5.215 -1.400 0.878 144 HA PHE 20 HA PHE 20 4.261 -3.957 1.630 145 1HB PHE 20 1HB PHE 20 2.942 -1.910 1.728 146 2HB PHE 20 2HB PHE 20 2.966 -1.778 -0.032 147 HD1 PHE 20 HD1 PHE 20 1.546 -3.535 2.884 148 HD2 PHE 20 HD2 PHE 20 1.569 -3.259 -1.418 149 HE1 PHE 20 HE1 PHE 20 -0.567 -4.836 2.787 150 HE2 PHE 20 HE2 PHE 20 -0.530 -4.583 -1.511 151 HZ PHE 20 HZ PHE 20 -1.599 -5.372 0.590 152 H VAL 21 H VAL 21 5.068 -2.564 -1.622 153 HA VAL 21 HA VAL 21 4.040 -4.857 -3.037 154 HB VAL 21 HB VAL 21 5.939 -2.603 -3.784 155 1HG1 VAL 21 1HG1 VAL 21 6.704 -4.496 -5.122 156 2HG1 VAL 21 2HG1 VAL 21 5.029 -4.932 -5.529 157 3HG1 VAL 21 3HG1 VAL 21 5.743 -3.425 -6.144 158 1HG2 VAL 21 1HG2 VAL 21 3.163 -3.376 -4.793 159 2HG2 VAL 21 2HG2 VAL 21 3.453 -2.165 -3.537 160 3HG2 VAL 21 3HG2 VAL 21 4.066 -1.894 -5.177 161 H GLN 22 H GLN 22 7.356 -3.904 -2.126 162 HA GLN 22 HA GLN 22 8.826 -6.161 -2.813 163 1HB GLN 22 1HB GLN 22 9.858 -4.224 -2.015 164 2HB GLN 22 2HB GLN 22 8.949 -4.198 -0.521 165 1HG GLN 22 1HG GLN 22 10.979 -6.330 -1.276 166 2HG GLN 22 2HG GLN 22 11.338 -4.883 -0.298 167 1HE2 GLN 22 2HE2 GLN 22 9.024 -4.774 1.354 168 2HE2 GLN 22 1HE2 GLN 22 8.936 -6.235 2.295 169 H TRP 23 H TRP 23 6.653 -5.743 -0.026 170 HA TRP 23 HA TRP 23 7.495 -8.165 1.303 171 1HB TRP 23 1HB TRP 23 6.681 -6.406 2.665 172 2HB TRP 23 2HB TRP 23 5.283 -6.129 1.634 173 HD1 TRP 23 HD1 TRP 23 6.589 -8.848 3.943 174 HE1 TRP 23 HE1 TRP 23 4.533 -10.104 5.013 175 HE3 TRP 23 HE3 TRP 23 2.903 -6.638 1.319 176 HZ2 TRP 23 HZ2 TRP 23 1.704 -10.167 4.625 177 HZ3 TRP 23 HZ3 TRP 23 0.521 -7.381 1.561 178 HH2 TRP 23 HH2 TRP 23 -0.072 -9.119 3.241 179 H LEU 24 H LEU 24 4.485 -7.152 -0.304 180 HA LEU 24 HA LEU 24 3.049 -9.496 -0.360 181 1HB LEU 24 1HB LEU 24 2.270 -7.251 -1.037 182 2HB LEU 24 2HB LEU 24 3.302 -7.314 -2.468 183 HG LEU 24 HG LEU 24 1.961 -9.206 -3.366 184 1HD1 LEU 24 1HD1 LEU 24 -0.233 -9.736 -2.273 185 2HD1 LEU 24 2HD1 LEU 24 1.146 -10.262 -1.303 186 3HD1 LEU 24 3HD1 LEU 24 0.264 -8.781 -0.861 187 1HD2 LEU 24 1HD2 LEU 24 0.297 -6.799 -2.524 188 2HD2 LEU 24 2HD2 LEU 24 1.391 -6.868 -3.923 189 3HD2 LEU 24 3HD2 LEU 24 -0.052 -7.896 -3.877 190 H MET 25 H MET 25 5.630 -8.425 -2.526 191 HA MET 25 HA MET 25 5.438 -10.594 -4.430 192 1HB MET 25 1HB MET 25 7.567 -8.540 -3.741 193 2HB MET 25 2HB MET 25 7.825 -9.779 -4.974 194 1HG MET 25 1HG MET 25 5.484 -7.830 -5.038 195 2HG MET 25 2HG MET 25 7.026 -7.557 -5.858 196 1HE MET 25 1HE MET 25 5.699 -7.106 -8.084 197 2HE MET 25 2HE MET 25 4.518 -8.241 -8.778 198 3HE MET 25 3HE MET 25 4.163 -7.421 -7.240 199 H ASN 26 H ASN 26 7.764 -9.855 -1.783 200 HA ASN 26 HA ASN 26 9.350 -12.130 -1.967 201 1HB ASN 26 1HB ASN 26 9.916 -10.157 -0.631 202 2HB ASN 26 2HB ASN 26 8.579 -10.486 0.480 203 1HD2 ASN 26 2HD2 ASN 26 11.556 -12.007 -0.885 204 2HD2 ASN 26 1HD2 ASN 26 11.978 -12.872 0.577 205 H THR 27 H THR 27 6.336 -11.661 -0.103 206 HA THR 27 HA THR 27 6.329 -14.293 1.076 207 HB THR 27 HB THR 27 4.000 -13.680 1.702 208 HG1 THR 27 HG1 THR 27 4.580 -11.222 0.406 209 1HG2 THR 27 1HG2 THR 27 4.610 -11.828 3.176 210 2HG2 THR 27 2HG2 THR 27 5.930 -13.015 3.111 211 3HG2 THR 27 3HG2 THR 27 6.066 -11.487 2.224 212 1HN NH2 28 1H NH2 28 4.398 -12.792 -1.614 213 2HN NH2 28 2H NH2 28 4.031 -14.320 -2.389 Start of MODEL 6 1 1H SER 1 1H SER 1 -13.012 14.517 2.026 2 2H SER 1 2H SER 1 -12.595 13.195 1.130 3 3H SER 1 3H SER 1 -11.607 14.516 1.165 4 HA SER 1 HA SER 1 -14.313 14.417 0.063 5 1HB SER 1 1HB SER 1 -12.286 16.693 0.064 6 2HB SER 1 2HB SER 1 -13.855 16.699 -0.768 7 HG SER 1 HG SER 1 -14.835 16.398 1.283 8 H GLN 2 H GLN 2 -10.839 14.817 -0.649 9 HA GLN 2 HA GLN 2 -11.214 14.133 -3.496 10 1HB GLN 2 1HB GLN 2 -8.779 14.559 -3.639 11 2HB GLN 2 2HB GLN 2 -9.776 15.945 -3.218 12 1HG GLN 2 1HG GLN 2 -8.232 14.362 -1.119 13 2HG GLN 2 2HG GLN 2 -7.548 15.716 -2.014 14 1HE2 GLN 2 2HE2 GLN 2 -8.692 17.849 -1.879 15 2HE2 GLN 2 1HE2 GLN 2 -9.474 18.247 -0.364 16 H GLY 3 H GLY 3 -12.060 12.028 -3.017 17 1HA GLY 3 1HA GLY 3 -10.606 10.051 -1.570 18 2HA GLY 3 2HA GLY 3 -12.021 9.797 -2.594 19 H THR 4 H THR 4 -9.010 11.189 -3.808 20 HA THR 4 HA THR 4 -7.947 8.640 -4.783 21 HB THR 4 HB THR 4 -9.394 9.443 -6.618 22 HG1 THR 4 HG1 THR 4 -6.609 9.658 -7.034 23 1HG2 THR 4 1HG2 THR 4 -8.858 11.496 -7.845 24 2HG2 THR 4 2HG2 THR 4 -9.332 11.889 -6.185 25 3HG2 THR 4 3HG2 THR 4 -7.619 11.931 -6.656 26 H THR 5 H THR 5 -7.487 10.974 -2.774 27 HA THR 5 HA THR 5 -4.599 11.203 -3.230 28 HB THR 5 HB THR 5 -6.378 13.643 -2.781 29 HG1 THR 5 HG1 THR 5 -5.050 12.641 -5.058 30 1HG2 THR 5 1HG2 THR 5 -4.270 14.894 -3.136 31 2HG2 THR 5 2HG2 THR 5 -4.148 13.841 -1.716 32 3HG2 THR 5 3HG2 THR 5 -3.372 13.366 -3.243 33 H SER 6 H SER 6 -7.299 12.404 -1.105 34 HA SER 6 HA SER 6 -5.709 12.144 1.283 35 1HB SER 6 1HB SER 6 -7.849 12.532 2.457 36 2HB SER 6 2HB SER 6 -7.504 13.739 1.207 37 HG SER 6 HG SER 6 -9.335 11.582 1.084 38 H GLU 7 H GLU 7 -8.404 10.214 -0.106 39 HA GLU 7 HA GLU 7 -7.760 7.956 1.692 40 1HB GLU 7 1HB GLU 7 -10.128 8.726 1.328 41 2HB GLU 7 2HB GLU 7 -9.989 8.218 -0.358 42 1HG GLU 7 1HG GLU 7 -11.113 6.510 0.955 43 2HG GLU 7 2HG GLU 7 -9.576 5.876 0.375 44 H TYR 8 H TYR 8 -5.572 8.230 0.349 45 HA TYR 8 HA TYR 8 -5.467 6.068 -1.584 46 1HB TYR 8 1HB TYR 8 -6.402 8.007 -2.896 47 2HB TYR 8 2HB TYR 8 -4.962 8.925 -2.498 48 HD1 TYR 8 HD1 TYR 8 -3.255 8.962 -4.113 49 HD2 TYR 8 HD2 TYR 8 -6.026 5.660 -4.015 50 HE1 TYR 8 HE1 TYR 8 -2.434 8.211 -6.309 51 HE2 TYR 8 HE2 TYR 8 -5.159 4.862 -6.181 52 HH TYR 8 HH TYR 8 -2.589 6.619 -7.978 53 H SER 9 H SER 9 -3.724 9.074 -0.673 54 HA SER 9 HA SER 9 -1.156 8.294 -1.281 55 1HB SER 9 1HB SER 9 -2.099 10.248 0.833 56 2HB SER 9 2HB SER 9 -0.434 10.110 0.230 57 HG SER 9 HG SER 9 -2.739 10.743 -1.286 58 H LYS 10 H LYS 10 -2.950 7.294 1.561 59 HA LYS 10 HA LYS 10 -0.905 7.023 3.397 60 1HB LYS 10 1HB LYS 10 -3.177 5.001 3.168 61 2HB LYS 10 2HB LYS 10 -2.281 5.488 4.587 62 1HG LYS 10 1HG LYS 10 -4.214 6.540 4.945 63 2HG LYS 10 2HG LYS 10 -3.240 7.840 4.235 64 1HD LYS 10 1HD LYS 10 -5.711 7.659 3.584 65 2HD LYS 10 2HD LYS 10 -4.584 7.852 2.258 66 1HE LYS 10 1HE LYS 10 -6.352 6.151 1.805 67 2HE LYS 10 2HE LYS 10 -4.732 5.483 1.706 68 1HZ LYS 10 1HZ LYS 10 -6.601 5.285 3.977 69 2HZ LYS 10 2HZ LYS 10 -6.250 4.082 2.907 70 3HZ LYS 10 3HZ LYS 10 -5.091 4.623 3.946 71 H TYR 11 H TYR 11 -2.095 4.679 1.104 72 HA TYR 11 HA TYR 11 0.328 2.919 1.432 73 1HB TYR 11 1HB TYR 11 -1.059 1.215 0.360 74 2HB TYR 11 2HB TYR 11 -1.804 1.845 1.823 75 HD1 TYR 11 HD1 TYR 11 -2.064 1.754 -1.903 76 HD2 TYR 11 HD2 TYR 11 -3.881 3.112 1.764 77 HE1 TYR 11 HE1 TYR 11 -4.067 2.453 -3.158 78 HE2 TYR 11 HE2 TYR 11 -5.947 3.697 0.507 79 HH TYR 11 HH TYR 11 -6.184 3.349 -3.044 80 H LEU 12 H LEU 12 0.178 5.562 -0.100 81 HA LEU 12 HA LEU 12 1.166 4.538 -2.681 82 1HB LEU 12 1HB LEU 12 -1.448 4.825 -2.518 83 2HB LEU 12 2HB LEU 12 -1.119 6.534 -2.615 84 HG LEU 12 HG LEU 12 -1.744 5.569 -4.731 85 1HD1 LEU 12 1HD1 LEU 12 0.043 6.354 -6.197 86 2HD1 LEU 12 2HD1 LEU 12 -0.134 7.447 -4.813 87 3HD1 LEU 12 3HD1 LEU 12 1.214 6.285 -4.867 88 1HD2 LEU 12 1HD2 LEU 12 -0.553 3.883 -5.933 89 2HD2 LEU 12 2HD2 LEU 12 0.721 3.793 -4.710 90 3HD2 LEU 12 3HD2 LEU 12 -0.929 3.254 -4.319 91 H ASP 13 H ASP 13 2.993 5.423 -1.239 92 HA ASP 13 HA ASP 13 3.502 8.225 -2.066 93 1HB ASP 13 1HB ASP 13 2.518 8.192 0.210 94 2HB ASP 13 2HB ASP 13 3.787 7.088 0.716 95 H SER 14 H SER 14 5.953 7.476 -0.032 96 HA SER 14 HA SER 14 7.645 6.636 -2.316 97 1HB SER 14 1HB SER 14 8.346 8.032 0.292 98 2HB SER 14 2HB SER 14 9.431 7.722 -1.079 99 HG SER 14 HG SER 14 7.973 8.990 -2.354 100 H ARG 15 H ARG 15 7.406 6.067 1.253 101 HA ARG 15 HA ARG 15 9.234 3.777 1.006 102 1HB ARG 15 1HB ARG 15 9.459 5.478 2.760 103 2HB ARG 15 2HB ARG 15 7.910 5.016 3.456 104 1HG ARG 15 1HG ARG 15 10.293 3.131 3.138 105 2HG ARG 15 2HG ARG 15 9.981 4.119 4.569 106 1HD ARG 15 1HD ARG 15 7.727 2.995 4.795 107 2HD ARG 15 2HD ARG 15 8.241 1.828 3.569 108 HE ARG 15 HE ARG 15 9.018 1.940 6.333 109 1HH1 ARG 15 1HH1 ARG 15 10.199 0.940 3.121 110 2HH1 ARG 15 2HH1 ARG 15 11.258 -0.284 3.779 111 1HH2 ARG 15 1HH2 ARG 15 10.406 0.331 7.142 112 2HH2 ARG 15 2HH2 ARG 15 11.378 -0.627 6.050 113 H ARG 16 H ARG 16 6.081 4.295 2.599 114 HA ARG 16 HA ARG 16 5.470 1.762 3.286 115 1HB ARG 16 1HB ARG 16 3.148 2.495 3.450 116 2HB ARG 16 2HB ARG 16 4.312 3.647 4.093 117 1HG ARG 16 1HG ARG 16 3.934 4.471 1.386 118 2HG ARG 16 2HG ARG 16 2.351 3.946 1.934 119 1HD ARG 16 1HD ARG 16 2.532 6.255 2.473 120 2HD ARG 16 2HD ARG 16 2.784 5.439 4.011 121 HE ARG 16 HE ARG 16 4.889 6.560 2.174 122 1HH1 ARG 16 1HH1 ARG 16 4.026 5.670 5.532 123 2HH1 ARG 16 2HH1 ARG 16 5.470 6.403 6.183 124 1HH2 ARG 16 1HH2 ARG 16 6.714 7.509 3.081 125 2HH2 ARG 16 2HH2 ARG 16 6.993 7.428 4.806 126 H ALA 17 H ALA 17 4.526 3.157 0.077 127 HA ALA 17 HA ALA 17 2.806 0.968 -0.571 128 1HB ALA 17 1HB ALA 17 2.632 2.082 -2.713 129 2HB ALA 17 2HB ALA 17 2.638 3.294 -1.412 130 3HB ALA 17 3HB ALA 17 4.092 3.051 -2.383 131 H GLN 18 H GLN 18 6.099 1.922 -1.557 132 HA GLN 18 HA GLN 18 6.625 -0.275 -3.300 133 1HB GLN 18 1HB GLN 18 8.315 1.752 -1.781 134 2HB GLN 18 2HB GLN 18 9.057 0.467 -2.741 135 1HG GLN 18 1HG GLN 18 8.842 2.562 -4.004 136 2HG GLN 18 2HG GLN 18 8.001 1.187 -4.750 137 1HE2 GLN 18 2HE2 GLN 18 7.489 4.146 -2.802 138 2HE2 GLN 18 1HE2 GLN 18 5.865 4.463 -3.373 139 H ASP 19 H ASP 19 7.146 0.250 0.161 140 HA ASP 19 HA ASP 19 8.547 -2.163 0.751 141 1HB ASP 19 1HB ASP 19 8.472 -0.271 2.275 142 2HB ASP 19 2HB ASP 19 6.725 -0.436 2.476 143 H PHE 20 H PHE 20 5.030 -1.354 0.858 144 HA PHE 20 HA PHE 20 4.097 -3.937 1.588 145 1HB PHE 20 1HB PHE 20 2.757 -1.787 -0.088 146 2HB PHE 20 2HB PHE 20 1.944 -3.169 0.637 147 HD1 PHE 20 HD1 PHE 20 3.850 -2.649 3.349 148 HD2 PHE 20 HD2 PHE 20 0.987 -0.428 0.988 149 HE1 PHE 20 HE1 PHE 20 3.394 -1.188 5.268 150 HE2 PHE 20 HE2 PHE 20 0.519 1.016 2.949 151 HZ PHE 20 HZ PHE 20 1.735 0.652 5.083 152 H VAL 21 H VAL 21 4.840 -2.540 -1.652 153 HA VAL 21 HA VAL 21 3.828 -4.835 -3.067 154 HB VAL 21 HB VAL 21 5.732 -2.586 -3.812 155 1HG1 VAL 21 1HG1 VAL 21 6.443 -4.471 -5.186 156 2HG1 VAL 21 2HG1 VAL 21 4.751 -4.873 -5.569 157 3HG1 VAL 21 3HG1 VAL 21 5.482 -3.373 -6.178 158 1HG2 VAL 21 1HG2 VAL 21 3.256 -2.102 -3.537 159 2HG2 VAL 21 2HG2 VAL 21 3.853 -1.840 -5.184 160 3HG2 VAL 21 3HG2 VAL 21 2.930 -3.305 -4.792 161 H GLN 22 H GLN 22 7.142 -3.916 -2.059 162 HA GLN 22 HA GLN 22 8.486 -6.200 -2.957 163 1HB GLN 22 1HB GLN 22 9.578 -4.148 -2.162 164 2HB GLN 22 2HB GLN 22 8.991 -4.440 -0.521 165 1HG GLN 22 1HG GLN 22 11.356 -5.060 -0.775 166 2HG GLN 22 2HG GLN 22 10.362 -6.436 -0.302 167 1HE2 GLN 22 2HE2 GLN 22 11.433 -4.809 -3.369 168 2HE2 GLN 22 1HE2 GLN 22 11.842 -6.296 -4.199 169 H TRP 23 H TRP 23 6.415 -5.758 -0.083 170 HA TRP 23 HA TRP 23 7.382 -8.097 1.331 171 1HB TRP 23 1HB TRP 23 6.434 -6.386 2.662 172 2HB TRP 23 2HB TRP 23 5.063 -6.170 1.582 173 HD1 TRP 23 HD1 TRP 23 6.411 -8.898 3.858 174 HE1 TRP 23 HE1 TRP 23 4.386 -10.232 4.880 175 HE3 TRP 23 HE3 TRP 23 2.705 -6.777 1.200 176 HZ2 TRP 23 HZ2 TRP 23 1.572 -10.395 4.429 177 HZ3 TRP 23 HZ3 TRP 23 0.349 -7.602 1.388 178 HH2 TRP 23 HH2 TRP 23 -0.214 -9.393 3.024 179 H LEU 24 H LEU 24 4.405 -7.229 -0.430 180 HA LEU 24 HA LEU 24 3.082 -9.667 -0.429 181 1HB LEU 24 1HB LEU 24 2.489 -7.249 -1.252 182 2HB LEU 24 2HB LEU 24 3.052 -7.803 -2.824 183 HG LEU 24 HG LEU 24 0.825 -9.000 -1.090 184 1HD1 LEU 24 1HD1 LEU 24 0.702 -7.382 -3.667 185 2HD1 LEU 24 2HD1 LEU 24 -0.689 -8.058 -2.787 186 3HD1 LEU 24 3HD1 LEU 24 0.297 -6.788 -2.042 187 1HD2 LEU 24 1HD2 LEU 24 0.211 -10.247 -3.222 188 2HD2 LEU 24 2HD2 LEU 24 1.817 -9.817 -3.851 189 3HD2 LEU 24 3HD2 LEU 24 1.649 -10.829 -2.392 190 H MET 25 H MET 25 5.561 -8.419 -2.626 191 HA MET 25 HA MET 25 5.663 -10.608 -4.490 192 1HB MET 25 1HB MET 25 7.602 -8.436 -3.648 193 2HB MET 25 2HB MET 25 8.075 -9.699 -4.791 194 1HG MET 25 1HG MET 25 6.309 -9.104 -6.325 195 2HG MET 25 2HG MET 25 5.643 -7.916 -5.198 196 1HE MET 25 1HE MET 25 6.485 -7.499 -8.360 197 2HE MET 25 2HE MET 25 5.606 -6.329 -7.351 198 3HE MET 25 3HE MET 25 7.067 -5.823 -8.231 199 H ASN 26 H ASN 26 7.813 -9.807 -1.713 200 HA ASN 26 HA ASN 26 9.476 -12.025 -1.841 201 1HB ASN 26 1HB ASN 26 9.941 -10.050 -0.482 202 2HB ASN 26 2HB ASN 26 8.565 -10.406 0.572 203 1HD2 ASN 26 2HD2 ASN 26 11.648 -11.846 -0.636 204 2HD2 ASN 26 1HD2 ASN 26 12.014 -12.702 0.847 205 H THR 27 H THR 27 6.396 -11.674 -0.047 206 HA THR 27 HA THR 27 6.471 -14.292 1.142 207 HB THR 27 HB THR 27 4.081 -13.804 1.657 208 HG1 THR 27 HG1 THR 27 4.601 -11.330 0.363 209 1HG2 THR 27 1HG2 THR 27 6.001 -11.503 2.260 210 2HG2 THR 27 2HG2 THR 27 4.527 -11.931 3.150 211 3HG2 THR 27 3HG2 THR 27 5.916 -13.037 3.144 212 1HN NH2 28 1H NH2 28 4.610 -12.944 -1.670 213 2HN NH2 28 2H NH2 28 4.334 -14.506 -2.415 Start of MODEL 7 1 1H SER 1 1H SER 1 -15.722 0.740 3.713 2 2H SER 1 2H SER 1 -16.712 1.349 2.543 3 3H SER 1 3H SER 1 -16.681 -0.275 2.834 4 HA SER 1 HA SER 1 -15.519 0.244 0.849 5 1HB SER 1 1HB SER 1 -13.408 1.559 0.987 6 2HB SER 1 2HB SER 1 -14.856 2.509 1.372 7 HG SER 1 HG SER 1 -12.925 1.460 3.151 8 H GLN 2 H GLN 2 -14.107 -1.302 0.181 9 HA GLN 2 HA GLN 2 -13.504 -3.414 1.981 10 1HB GLN 2 1HB GLN 2 -12.508 -4.503 0.043 11 2HB GLN 2 2HB GLN 2 -14.066 -3.769 -0.365 12 1HG GLN 2 1HG GLN 2 -12.892 -1.836 -1.398 13 2HG GLN 2 2HG GLN 2 -11.328 -2.559 -0.987 14 1HE2 GLN 2 2HE2 GLN 2 -11.580 -1.948 -3.529 15 2HE2 GLN 2 1HE2 GLN 2 -11.891 -3.360 -4.527 16 H GLY 3 H GLY 3 -11.403 -4.439 2.304 17 1HA GLY 3 1HA GLY 3 -9.431 -2.552 3.303 18 2HA GLY 3 2HA GLY 3 -9.414 -4.313 3.434 19 H THR 4 H THR 4 -9.643 -2.362 0.465 20 HA THR 4 HA THR 4 -6.876 -2.416 -0.193 21 HB THR 4 HB THR 4 -7.320 -4.776 -0.694 22 HG1 THR 4 HG1 THR 4 -6.581 -4.709 -2.823 23 1HG2 THR 4 1HG2 THR 4 -9.744 -4.658 -1.230 24 2HG2 THR 4 2HG2 THR 4 -9.356 -3.817 -2.748 25 3HG2 THR 4 3HG2 THR 4 -8.804 -5.477 -2.485 26 H THR 5 H THR 5 -8.947 -0.541 0.217 27 HA THR 5 HA THR 5 -8.686 0.985 -2.291 28 HB THR 5 HB THR 5 -11.363 0.538 -0.885 29 HG1 THR 5 HG1 THR 5 -10.288 -0.201 -3.391 30 1HG2 THR 5 1HG2 THR 5 -10.608 2.314 -3.255 31 2HG2 THR 5 2HG2 THR 5 -12.258 1.989 -2.684 32 3HG2 THR 5 3HG2 THR 5 -11.130 2.887 -1.655 33 H SER 6 H SER 6 -10.420 1.289 0.860 34 HA SER 6 HA SER 6 -9.246 3.838 1.512 35 1HB SER 6 1HB SER 6 -10.296 3.323 3.753 36 2HB SER 6 2HB SER 6 -11.400 3.267 2.369 37 HG SER 6 HG SER 6 -10.161 1.035 3.623 38 H GLU 7 H GLU 7 -8.288 0.493 1.914 39 HA GLU 7 HA GLU 7 -6.243 1.047 3.957 40 1HB GLU 7 1HB GLU 7 -7.575 -1.024 4.057 41 2HB GLU 7 2HB GLU 7 -7.070 -1.436 2.408 42 1HG GLU 7 1HG GLU 7 -5.808 -2.718 4.077 43 2HG GLU 7 2HG GLU 7 -4.773 -1.683 3.097 44 H TYR 8 H TYR 8 -6.604 0.106 0.529 45 HA TYR 8 HA TYR 8 -3.922 -0.027 -0.255 46 1HB TYR 8 1HB TYR 8 -5.675 -0.789 -1.679 47 2HB TYR 8 2HB TYR 8 -6.452 0.798 -1.685 48 HD1 TYR 8 HD1 TYR 8 -3.294 -0.937 -2.704 49 HD2 TYR 8 HD2 TYR 8 -5.965 2.379 -3.366 50 HE1 TYR 8 HE1 TYR 8 -1.968 -0.271 -4.663 51 HE2 TYR 8 HE2 TYR 8 -4.710 2.995 -5.383 52 HH TYR 8 HH TYR 8 -2.916 2.486 -6.771 53 H SER 9 H SER 9 -6.004 2.828 0.227 54 HA SER 9 HA SER 9 -4.501 4.855 -0.879 55 1HB SER 9 1HB SER 9 -5.998 4.859 1.766 56 2HB SER 9 2HB SER 9 -5.455 6.303 0.897 57 HG SER 9 HG SER 9 -7.224 4.339 -0.139 58 H LYS 10 H LYS 10 -3.636 2.947 2.003 59 HA LYS 10 HA LYS 10 -1.525 4.736 2.887 60 1HB LYS 10 1HB LYS 10 -1.945 1.787 3.465 61 2HB LYS 10 2HB LYS 10 -0.960 2.929 4.375 62 1HG LYS 10 1HG LYS 10 -4.015 2.916 4.173 63 2HG LYS 10 2HG LYS 10 -3.010 2.442 5.531 64 1HD LYS 10 1HD LYS 10 -3.730 4.496 6.180 65 2HD LYS 10 2HD LYS 10 -2.133 4.892 5.538 66 1HE LYS 10 1HE LYS 10 -3.145 5.928 3.563 67 2HE LYS 10 2HE LYS 10 -4.702 5.156 3.893 68 1HZ LYS 10 1HZ LYS 10 -4.674 7.439 4.492 69 2HZ LYS 10 2HZ LYS 10 -4.868 6.510 5.841 70 3HZ LYS 10 3HZ LYS 10 -3.409 7.212 5.527 71 H TYR 11 H TYR 11 -1.571 1.545 1.132 72 HA TYR 11 HA TYR 11 1.251 1.966 0.444 73 1HB TYR 11 1HB TYR 11 0.987 -0.392 -0.463 74 2HB TYR 11 2HB TYR 11 1.034 -0.101 1.275 75 HD1 TYR 11 HD1 TYR 11 -1.104 -1.214 -1.531 76 HD2 TYR 11 HD2 TYR 11 -0.792 -0.610 2.724 77 HE1 TYR 11 HE1 TYR 11 -2.971 -2.812 -1.162 78 HE2 TYR 11 HE2 TYR 11 -2.567 -2.283 3.094 79 HH TYR 11 HH TYR 11 -4.135 -3.671 2.110 80 H LEU 12 H LEU 12 -0.083 3.816 -0.540 81 HA LEU 12 HA LEU 12 -0.023 3.401 -3.425 82 1HB LEU 12 1HB LEU 12 -2.335 3.517 -2.923 83 2HB LEU 12 2HB LEU 12 -2.086 4.760 -1.695 84 HG LEU 12 HG LEU 12 -1.621 6.445 -3.411 85 1HD1 LEU 12 1HD1 LEU 12 -0.766 4.875 -5.233 86 2HD1 LEU 12 2HD1 LEU 12 -2.421 4.275 -5.419 87 3HD1 LEU 12 3HD1 LEU 12 -2.042 5.965 -5.796 88 1HD2 LEU 12 1HD2 LEU 12 -3.870 6.255 -2.601 89 2HD2 LEU 12 2HD2 LEU 12 -3.920 6.583 -4.338 90 3HD2 LEU 12 3HD2 LEU 12 -4.235 4.940 -3.741 91 H ASP 13 H ASP 13 0.984 5.039 -0.558 92 HA ASP 13 HA ASP 13 1.749 7.571 -1.670 93 1HB ASP 13 1HB ASP 13 1.031 7.109 0.666 94 2HB ASP 13 2HB ASP 13 2.497 6.163 0.920 95 H SER 14 H SER 14 4.394 6.648 0.120 96 HA SER 14 HA SER 14 6.023 6.079 -2.327 97 1HB SER 14 1HB SER 14 6.625 7.899 0.032 98 2HB SER 14 2HB SER 14 7.755 7.479 -1.277 99 HG SER 14 HG SER 14 6.629 9.430 -1.670 100 H ARG 15 H ARG 15 7.088 6.190 1.097 101 HA ARG 15 HA ARG 15 8.718 3.936 0.748 102 1HB ARG 15 1HB ARG 15 9.014 5.650 2.482 103 2HB ARG 15 2HB ARG 15 7.618 5.048 3.370 104 1HG ARG 15 1HG ARG 15 10.130 3.425 2.699 105 2HG ARG 15 2HG ARG 15 9.892 4.314 4.202 106 1HD ARG 15 1HD ARG 15 8.310 1.862 3.310 107 2HD ARG 15 2HD ARG 15 9.487 1.976 4.589 108 HE ARG 15 HE ARG 15 7.533 3.899 5.181 109 1HH1 ARG 15 1HH1 ARG 15 7.745 0.356 4.888 110 2HH1 ARG 15 2HH1 ARG 15 6.476 0.076 6.056 111 1HH2 ARG 15 1HH2 ARG 15 5.878 3.495 6.692 112 2HH2 ARG 15 2HH2 ARG 15 5.418 1.853 7.080 113 H ARG 16 H ARG 16 5.698 4.116 2.703 114 HA ARG 16 HA ARG 16 5.494 1.383 3.204 115 1HB ARG 16 1HB ARG 16 3.134 1.833 3.762 116 2HB ARG 16 2HB ARG 16 4.285 2.947 4.513 117 1HG ARG 16 1HG ARG 16 3.745 4.690 2.862 118 2HG ARG 16 2HG ARG 16 2.646 3.574 2.028 119 1HD ARG 16 1HD ARG 16 1.233 3.436 4.037 120 2HD ARG 16 2HD ARG 16 2.383 4.434 4.947 121 HE ARG 16 HE ARG 16 1.226 5.583 2.491 122 1HH1 ARG 16 1HH1 ARG 16 0.929 5.390 6.042 123 2HH1 ARG 16 2HH1 ARG 16 -0.079 6.813 6.130 124 1HH2 ARG 16 1HH2 ARG 16 -0.053 7.446 2.664 125 2HH2 ARG 16 2HH2 ARG 16 -0.639 7.972 4.225 126 H ALA 17 H ALA 17 4.598 3.074 0.215 127 HA ALA 17 HA ALA 17 2.847 0.961 -0.745 128 1HB ALA 17 1HB ALA 17 2.975 2.216 -2.866 129 2HB ALA 17 2HB ALA 17 2.596 3.271 -1.489 130 3HB ALA 17 3HB ALA 17 4.223 3.273 -2.164 131 H GLN 18 H GLN 18 6.170 2.027 -1.535 132 HA GLN 18 HA GLN 18 6.812 -0.145 -3.264 133 1HB GLN 18 1HB GLN 18 8.367 1.854 -1.580 134 2HB GLN 18 2HB GLN 18 9.219 0.584 -2.448 135 1HG GLN 18 1HG GLN 18 8.829 2.995 -3.501 136 2HG GLN 18 2HG GLN 18 8.947 1.517 -4.461 137 1HE2 GLN 18 2HE2 GLN 18 6.491 3.714 -2.969 138 2HE2 GLN 18 1HE2 GLN 18 5.326 3.489 -4.257 139 H ASP 19 H ASP 19 7.303 0.291 0.249 140 HA ASP 19 HA ASP 19 8.748 -2.096 0.734 141 1HB ASP 19 1HB ASP 19 8.631 -0.277 2.341 142 2HB ASP 19 2HB ASP 19 6.878 -0.471 2.507 143 H PHE 20 H PHE 20 5.224 -1.376 0.952 144 HA PHE 20 HA PHE 20 4.339 -3.960 1.605 145 1HB PHE 20 1HB PHE 20 2.985 -1.946 1.774 146 2HB PHE 20 2HB PHE 20 2.961 -1.776 0.015 147 HD1 PHE 20 HD1 PHE 20 1.690 -3.630 2.935 148 HD2 PHE 20 HD2 PHE 20 1.579 -3.271 -1.355 149 HE1 PHE 20 HE1 PHE 20 -0.344 -5.062 2.868 150 HE2 PHE 20 HE2 PHE 20 -0.445 -4.721 -1.424 151 HZ PHE 20 HZ PHE 20 -1.396 -5.627 0.687 152 H VAL 21 H VAL 21 5.104 -2.519 -1.635 153 HA VAL 21 HA VAL 21 4.038 -4.767 -3.081 154 HB VAL 21 HB VAL 21 5.916 -2.495 -3.798 155 1HG1 VAL 21 1HG2 VAL 21 6.702 -4.315 -5.197 156 2HG1 VAL 21 2HG2 VAL 21 5.032 -4.784 -5.602 157 3HG1 VAL 21 3HG2 VAL 21 5.701 -3.242 -6.177 158 1HG2 VAL 21 1HG1 VAL 21 4.034 -1.760 -5.148 159 2HG2 VAL 21 2HG1 VAL 21 3.150 -3.266 -4.824 160 3HG2 VAL 21 3HG1 VAL 21 3.421 -2.102 -3.521 161 H GLN 22 H GLN 22 7.440 -3.948 -2.197 162 HA GLN 22 HA GLN 22 8.579 -6.349 -3.197 163 1HB GLN 22 1HB GLN 22 9.509 -4.629 -0.863 164 2HB GLN 22 2HB GLN 22 10.443 -5.872 -1.720 165 1HG GLN 22 1HG GLN 22 9.746 -4.507 -3.874 166 2HG GLN 22 2HG GLN 22 9.458 -3.200 -2.721 167 1HE2 GLN 22 2HE2 GLN 22 11.922 -5.624 -3.707 168 2HE2 GLN 22 1HE2 GLN 22 13.310 -4.611 -3.383 169 H TRP 23 H TRP 23 6.774 -5.711 -0.233 170 HA TRP 23 HA TRP 23 7.723 -8.048 1.212 171 1HB TRP 23 1HB TRP 23 6.948 -6.234 2.530 172 2HB TRP 23 2HB TRP 23 5.496 -6.030 1.552 173 HD1 TRP 23 HD1 TRP 23 6.977 -8.664 3.862 174 HE1 TRP 23 HE1 TRP 23 5.016 -9.973 5.030 175 HE3 TRP 23 HE3 TRP 23 3.114 -6.588 1.392 176 HZ2 TRP 23 HZ2 TRP 23 2.182 -10.155 4.743 177 HZ3 TRP 23 HZ3 TRP 23 0.774 -7.436 1.716 178 HH2 TRP 23 HH2 TRP 23 0.316 -9.195 3.414 179 H LEU 24 H LEU 24 4.632 -7.110 -0.305 180 HA LEU 24 HA LEU 24 3.238 -9.482 -0.196 181 1HB LEU 24 1HB LEU 24 2.353 -7.286 -0.881 182 2HB LEU 24 2HB LEU 24 3.294 -7.358 -2.374 183 HG LEU 24 HG LEU 24 1.956 -9.289 -3.152 184 1HD1 LEU 24 1HD2 LEU 24 0.435 -8.922 -0.527 185 2HD1 LEU 24 2HD2 LEU 24 -0.129 -9.899 -1.897 186 3HD1 LEU 24 3HD2 LEU 24 1.338 -10.368 -1.035 187 1HD2 LEU 24 1HD1 LEU 24 0.249 -6.960 -2.188 188 2HD2 LEU 24 2HD1 LEU 24 1.247 -6.969 -3.659 189 3HD2 LEU 24 3HD1 LEU 24 -0.139 -8.067 -3.521 190 H MET 25 H MET 25 5.647 -8.409 -2.557 191 HA MET 25 HA MET 25 5.430 -10.597 -4.405 192 1HB MET 25 1HB MET 25 7.595 -8.585 -3.737 193 2HB MET 25 2HB MET 25 7.857 -9.871 -4.923 194 1HG MET 25 1HG MET 25 6.085 -9.090 -6.336 195 2HG MET 25 2HG MET 25 5.487 -7.980 -5.107 196 1HE MET 25 1HE MET 25 8.353 -8.758 -7.652 197 2HE MET 25 2HE MET 25 9.390 -7.321 -7.515 198 3HE MET 25 3HE MET 25 9.327 -8.493 -6.184 199 H ASN 26 H ASN 26 7.799 -9.922 -1.771 200 HA ASN 26 HA ASN 26 9.289 -12.267 -1.966 201 1HB ASN 26 1HB ASN 26 9.980 -10.317 -0.664 202 2HB ASN 26 2HB ASN 26 8.650 -10.562 0.477 203 1HD2 ASN 26 2HD2 ASN 26 11.465 -12.333 -0.946 204 2HD2 ASN 26 1HD2 ASN 26 11.882 -13.172 0.532 205 H THR 27 H THR 27 6.319 -11.658 -0.035 206 HA THR 27 HA THR 27 6.273 -14.269 1.174 207 HB THR 27 HB THR 27 3.961 -13.588 1.824 208 HG1 THR 27 HG1 THR 27 3.560 -12.249 -0.036 209 1HG2 THR 27 1HG2 THR 27 6.092 -11.442 2.275 210 2HG2 THR 27 2HG2 THR 27 4.661 -11.755 3.274 211 3HG2 THR 27 3HG2 THR 27 5.960 -12.963 3.178 212 1HN NH2 28 1H NH2 28 4.646 -12.830 -1.721 213 2HN NH2 28 2H NH2 28 4.082 -14.368 -2.339 Start of MODEL 8 1 1H SER 1 1H SER 1 -11.259 14.270 3.482 2 2H SER 1 2H SER 1 -12.678 14.040 4.290 3 3H SER 1 3H SER 1 -11.280 14.277 5.132 4 HA SER 1 HA SER 1 -11.885 12.011 3.401 5 1HB SER 1 1HB SER 1 -9.498 12.467 3.375 6 2HB SER 1 2HB SER 1 -9.463 12.596 5.145 7 HG SER 1 HG SER 1 -8.813 10.578 4.699 8 H GLN 2 H GLN 2 -13.399 10.762 4.307 9 HA GLN 2 HA GLN 2 -13.787 10.644 7.239 10 1HB GLN 2 1HB GLN 2 -15.316 9.376 4.920 11 2HB GLN 2 2HB GLN 2 -15.742 9.284 6.633 12 1HG GLN 2 1HG GLN 2 -17.122 10.963 5.677 13 2HG GLN 2 2HG GLN 2 -15.941 11.766 6.718 14 1HE2 GLN 2 2HE2 GLN 2 -15.773 13.784 5.734 15 2HE2 GLN 2 1HE2 GLN 2 -15.339 14.024 4.055 16 H GLY 3 H GLY 3 -11.335 9.795 6.866 17 1HA GLY 3 1HA GLY 3 -9.860 8.064 7.111 18 2HA GLY 3 2HA GLY 3 -11.223 7.005 7.517 19 H THR 4 H THR 4 -10.555 8.895 4.539 20 HA THR 4 HA THR 4 -10.996 6.457 2.882 21 HB THR 4 HB THR 4 -11.522 8.059 1.097 22 HG1 THR 4 HG1 THR 4 -11.140 9.970 3.156 23 1HG2 THR 4 1HG2 THR 4 -13.691 8.766 1.955 24 2HG2 THR 4 2HG2 THR 4 -13.321 7.123 2.516 25 3HG2 THR 4 3HG2 THR 4 -13.160 8.500 3.624 26 H THR 5 H THR 5 -9.448 9.268 1.704 27 HA THR 5 HA THR 5 -7.225 7.967 0.561 28 HB THR 5 HB THR 5 -6.282 10.289 0.362 29 HG1 THR 5 HG1 THR 5 -7.598 11.975 1.167 30 1HG2 THR 5 1HG2 THR 5 -8.070 11.198 -1.044 31 2HG2 THR 5 2HG2 THR 5 -7.933 9.450 -1.299 32 3HG2 THR 5 3HG2 THR 5 -9.258 10.104 -0.312 33 H SER 6 H SER 6 -7.585 9.645 3.680 34 HA SER 6 HA SER 6 -5.060 9.539 4.778 35 1HB SER 6 1HB SER 6 -7.691 8.876 6.167 36 2HB SER 6 2HB SER 6 -6.206 9.467 6.941 37 HG SER 6 HG SER 6 -6.410 11.361 5.666 38 H GLU 7 H GLU 7 -7.316 6.820 4.275 39 HA GLU 7 HA GLU 7 -5.505 4.927 5.627 40 1HB GLU 7 1HB GLU 7 -7.899 4.761 6.040 41 2HB GLU 7 2HB GLU 7 -8.221 4.512 4.321 42 1HG GLU 7 1HG GLU 7 -6.871 2.437 4.355 43 2HG GLU 7 2HG GLU 7 -6.494 2.704 6.066 44 H TYR 8 H TYR 8 -7.220 4.880 2.426 45 HA TYR 8 HA TYR 8 -5.394 2.924 1.500 46 1HB TYR 8 1HB TYR 8 -6.551 2.902 -0.561 47 2HB TYR 8 2HB TYR 8 -7.659 2.895 0.798 48 HD1 TYR 8 HD1 TYR 8 -6.263 5.002 -1.967 49 HD2 TYR 8 HD2 TYR 8 -9.391 4.516 0.958 50 HE1 TYR 8 HE1 TYR 8 -7.573 6.787 -3.069 51 HE2 TYR 8 HE2 TYR 8 -10.732 6.251 -0.193 52 HH TYR 8 HH TYR 8 -9.526 8.009 -3.069 53 H SER 9 H SER 9 -5.573 6.414 0.595 54 HA SER 9 HA SER 9 -3.829 6.207 -1.573 55 1HB SER 9 1HB SER 9 -4.212 8.636 0.186 56 2HB SER 9 2HB SER 9 -3.531 8.596 -1.442 57 HG SER 9 HG SER 9 -5.526 7.688 -2.150 58 H LYS 10 H LYS 10 -3.042 6.309 1.871 59 HA LYS 10 HA LYS 10 -0.365 7.279 1.603 60 1HB LYS 10 1HB LYS 10 -1.625 5.587 3.795 61 2HB LYS 10 2HB LYS 10 -0.121 6.508 3.916 62 1HG LYS 10 1HG LYS 10 -2.931 7.647 3.537 63 2HG LYS 10 2HG LYS 10 -1.921 7.697 4.979 64 1HD LYS 10 1HD LYS 10 -1.432 9.778 4.245 65 2HD LYS 10 2HD LYS 10 -0.196 8.916 3.333 66 1HE LYS 10 1HE LYS 10 -1.257 10.501 1.859 67 2HE LYS 10 2HE LYS 10 -1.834 8.933 1.333 68 1HZ LYS 10 1HZ LYS 10 -3.575 10.530 1.491 69 2HZ LYS 10 2HZ LYS 10 -3.837 9.311 2.567 70 3HZ LYS 10 3HZ LYS 10 -3.282 10.773 3.095 71 H TYR 11 H TYR 11 -1.638 3.926 1.962 72 HA TYR 11 HA TYR 11 1.062 2.848 1.511 73 1HB TYR 11 1HB TYR 11 0.004 0.686 1.893 74 2HB TYR 11 2HB TYR 11 -0.138 1.840 3.215 75 HD1 TYR 11 HD1 TYR 11 -2.186 2.017 4.312 76 HD2 TYR 11 HD2 TYR 11 -2.122 0.581 0.242 77 HE1 TYR 11 HE1 TYR 11 -4.553 1.360 4.506 78 HE2 TYR 11 HE2 TYR 11 -4.516 -0.003 0.417 79 HH TYR 11 HH TYR 11 -6.386 0.442 3.440 80 H LEU 12 H LEU 12 -1.007 4.240 -0.487 81 HA LEU 12 HA LEU 12 -0.428 2.473 -2.771 82 1HB LEU 12 1HB LEU 12 -2.747 2.930 -2.519 83 2HB LEU 12 2HB LEU 12 -2.439 4.620 -2.143 84 HG LEU 12 HG LEU 12 -1.804 5.117 -4.428 85 1HD1 LEU 12 1HD1 LEU 12 -2.214 3.422 -6.226 86 2HD1 LEU 12 2HD1 LEU 12 -0.975 2.811 -5.121 87 3HD1 LEU 12 3HD1 LEU 12 -2.637 2.210 -4.999 88 1HD2 LEU 12 1HD2 LEU 12 -4.489 3.710 -4.153 89 2HD2 LEU 12 2HD2 LEU 12 -4.128 5.404 -3.758 90 3HD2 LEU 12 3HD2 LEU 12 -4.048 4.854 -5.438 91 H ASP 13 H ASP 13 0.601 5.333 -1.086 92 HA ASP 13 HA ASP 13 1.459 6.842 -3.391 93 1HB ASP 13 1HB ASP 13 0.604 7.863 -1.341 94 2HB ASP 13 2HB ASP 13 1.972 7.235 -0.429 95 H SER 14 H SER 14 3.945 7.074 -1.154 96 HA SER 14 HA SER 14 5.771 5.773 -3.087 97 1HB SER 14 1HB SER 14 7.443 7.297 -2.162 98 2HB SER 14 2HB SER 14 6.014 8.142 -2.777 99 HG SER 14 HG SER 14 6.613 8.965 -0.765 100 H ARG 15 H ARG 15 7.068 6.450 -0.016 101 HA ARG 15 HA ARG 15 8.554 4.230 0.252 102 1HB ARG 15 1HB ARG 15 8.548 6.389 1.564 103 2HB ARG 15 2HB ARG 15 7.346 5.689 2.637 104 1HG ARG 15 1HG ARG 15 10.169 4.632 2.090 105 2HG ARG 15 2HG ARG 15 9.686 5.612 3.475 106 1HD ARG 15 1HD ARG 15 8.886 2.742 2.908 107 2HD ARG 15 2HD ARG 15 9.891 3.361 4.209 108 HE ARG 15 HE ARG 15 7.473 4.695 4.513 109 1HH1 ARG 15 1HH1 ARG 15 8.546 1.302 4.551 110 2HH1 ARG 15 2HH1 ARG 15 7.304 0.807 5.676 111 1HH2 ARG 15 1HH2 ARG 15 5.875 4.015 5.994 112 2HH2 ARG 15 2HH2 ARG 15 5.798 2.342 6.498 113 H ARG 16 H ARG 16 5.375 4.602 1.883 114 HA ARG 16 HA ARG 16 5.221 2.111 3.166 115 1HB ARG 16 1HB ARG 16 3.097 3.884 1.921 116 2HB ARG 16 2HB ARG 16 2.728 2.522 2.997 117 1HG ARG 16 1HG ARG 16 3.525 3.521 4.861 118 2HG ARG 16 2HG ARG 16 4.737 4.484 4.006 119 1HD ARG 16 1HD ARG 16 1.745 5.020 3.960 120 2HD ARG 16 2HD ARG 16 2.910 5.919 4.939 121 HE ARG 16 HE ARG 16 2.341 6.238 2.123 122 1HH1 ARG 16 1HH1 ARG 16 4.974 6.607 4.499 123 2HH1 ARG 16 2HH1 ARG 16 5.892 7.677 3.468 124 1HH2 ARG 16 1HH2 ARG 16 3.566 7.638 0.820 125 2HH2 ARG 16 2HH2 ARG 16 5.105 8.245 1.379 126 H ALA 17 H ALA 17 3.865 3.050 -0.032 127 HA ALA 17 HA ALA 17 2.924 0.507 -0.781 128 1HB ALA 17 1HB ALA 17 3.964 2.708 -2.599 129 2HB ALA 17 2HB ALA 17 2.827 1.414 -3.020 130 3HB ALA 17 3HB ALA 17 2.351 2.681 -1.866 131 H GLN 18 H GLN 18 6.227 1.872 -0.894 132 HA GLN 18 HA GLN 18 7.177 -0.194 -2.729 133 1HB GLN 18 1HB GLN 18 8.900 1.484 -0.855 134 2HB GLN 18 2HB GLN 18 9.403 0.551 -2.262 135 1HG GLN 18 1HG GLN 18 8.033 3.213 -2.153 136 2HG GLN 18 2HG GLN 18 9.461 2.721 -3.039 137 1HE2 GLN 18 2HE2 GLN 18 6.031 3.115 -3.153 138 2HE2 GLN 18 1HE2 GLN 18 5.772 2.501 -4.776 139 H ASP 19 H ASP 19 7.044 0.253 0.778 140 HA ASP 19 HA ASP 19 8.651 -2.034 1.465 141 1HB ASP 19 1HB ASP 19 8.204 -0.248 3.053 142 2HB ASP 19 2HB ASP 19 6.467 -0.572 3.014 143 H PHE 20 H PHE 20 5.106 -1.488 1.255 144 HA PHE 20 HA PHE 20 4.405 -4.181 1.759 145 1HB PHE 20 1HB PHE 20 2.843 -1.980 0.384 146 2HB PHE 20 2HB PHE 20 2.167 -3.519 0.917 147 HD1 PHE 20 HD1 PHE 20 2.973 -4.107 3.529 148 HD2 PHE 20 HD2 PHE 20 2.188 -0.226 1.821 149 HE1 PHE 20 HE1 PHE 20 2.603 -3.184 5.794 150 HE2 PHE 20 HE2 PHE 20 1.815 0.689 4.101 151 HZ PHE 20 HZ PHE 20 2.031 -0.782 6.085 152 H VAL 21 H VAL 21 5.139 -2.561 -1.432 153 HA VAL 21 HA VAL 21 3.876 -4.786 -2.783 154 HB VAL 21 HB VAL 21 4.094 -2.479 -3.731 155 1HG1 VAL 21 1HG1 VAL 21 6.592 -2.258 -3.287 156 2HG1 VAL 21 2HG1 VAL 21 6.866 -3.376 -4.633 157 3HG1 VAL 21 3HG1 VAL 21 6.068 -1.818 -4.920 158 1HG2 VAL 21 1HG2 VAL 21 5.015 -4.803 -5.456 159 2HG2 VAL 21 2HG2 VAL 21 3.334 -4.400 -5.047 160 3HG2 VAL 21 3HG2 VAL 21 4.295 -3.286 -6.036 161 H GLN 22 H GLN 22 7.299 -4.015 -2.065 162 HA GLN 22 HA GLN 22 8.382 -6.353 -3.323 163 1HB GLN 22 1HB GLN 22 9.474 -4.681 -1.034 164 2HB GLN 22 2HB GLN 22 10.345 -5.905 -1.984 165 1HG GLN 22 1HG GLN 22 9.506 -4.554 -4.066 166 2HG GLN 22 2HG GLN 22 9.194 -3.254 -2.917 167 1HE2 GLN 22 2HE2 GLN 22 11.713 -5.552 -4.028 168 2HE2 GLN 22 1HE2 GLN 22 13.072 -4.485 -3.771 169 H TRP 23 H TRP 23 6.836 -5.777 -0.189 170 HA TRP 23 HA TRP 23 7.810 -8.182 1.107 171 1HB TRP 23 1HB TRP 23 7.122 -6.407 2.518 172 2HB TRP 23 2HB TRP 23 5.637 -6.144 1.607 173 HD1 TRP 23 HD1 TRP 23 7.124 -8.856 3.817 174 HE1 TRP 23 HE1 TRP 23 5.164 -10.038 5.124 175 HE3 TRP 23 HE3 TRP 23 3.235 -6.619 1.534 176 HZ2 TRP 23 HZ2 TRP 23 2.309 -10.018 5.053 177 HZ3 TRP 23 HZ3 TRP 23 0.873 -7.240 2.089 178 HH2 TRP 23 HH2 TRP 23 0.420 -8.932 3.861 179 H LEU 24 H LEU 24 4.664 -7.169 -0.228 180 HA LEU 24 HA LEU 24 3.224 -9.516 -0.181 181 1HB LEU 24 1HB LEU 24 2.369 -7.287 -0.783 182 2HB LEU 24 2HB LEU 24 3.304 -7.316 -2.282 183 HG LEU 24 HG LEU 24 1.929 -9.224 -3.103 184 1HD1 LEU 24 1HD2 LEU 24 1.247 -10.280 -0.989 185 2HD1 LEU 24 2HD2 LEU 24 0.384 -8.804 -0.500 186 3HD1 LEU 24 3HD2 LEU 24 -0.189 -9.765 -1.879 187 1HD2 LEU 24 1HD1 LEU 24 1.320 -6.893 -3.629 188 2HD2 LEU 24 2HD1 LEU 24 -0.120 -7.916 -3.480 189 3HD2 LEU 24 3HD1 LEU 24 0.324 -6.813 -2.160 190 H MET 25 H MET 25 5.614 -8.408 -2.549 191 HA MET 25 HA MET 25 5.303 -10.566 -4.432 192 1HB MET 25 1HB MET 25 7.455 -8.522 -3.876 193 2HB MET 25 2HB MET 25 7.728 -9.823 -5.040 194 1HG MET 25 1HG MET 25 5.879 -9.157 -6.398 195 2HG MET 25 2HG MET 25 5.303 -7.998 -5.199 196 1HE MET 25 1HE MET 25 5.050 -6.387 -7.307 197 2HE MET 25 2HE MET 25 6.418 -5.831 -8.298 198 3HE MET 25 3HE MET 25 5.863 -7.517 -8.413 199 H ASN 26 H ASN 26 7.833 -10.000 -1.898 200 HA ASN 26 HA ASN 26 9.210 -12.423 -2.291 201 1HB ASN 26 1HB ASN 26 8.859 -10.846 0.299 202 2HB ASN 26 2HB ASN 26 10.082 -12.087 0.006 203 1HD2 ASN 26 2HD2 ASN 26 10.735 -11.231 -2.772 204 2HD2 ASN 26 1HD2 ASN 26 11.617 -9.733 -2.583 205 H THR 27 H THR 27 6.453 -11.722 -0.129 206 HA THR 27 HA THR 27 6.394 -14.333 1.066 207 HB THR 27 HB THR 27 4.157 -13.597 1.876 208 HG1 THR 27 HG1 THR 27 4.753 -11.195 0.485 209 1HG2 THR 27 1HG2 THR 27 6.371 -11.512 2.189 210 2HG2 THR 27 2HG2 THR 27 4.985 -11.765 3.265 211 3HG2 THR 27 3HG2 THR 27 6.230 -13.021 3.108 212 1HN NH2 28 1H NH2 28 4.361 -12.803 -1.526 213 2HN NH2 28 2H NH2 28 3.826 -14.329 -2.199 Start of MODEL 9 1 1H SER 1 1H SER 1 -13.143 -2.106 -3.604 2 2H SER 1 2H SER 1 -14.588 -1.316 -3.687 3 3H SER 1 3H SER 1 -13.387 -0.737 -2.715 4 HA SER 1 HA SER 1 -15.071 -1.796 -1.436 5 1HB SER 1 1HB SER 1 -15.344 -4.274 -1.649 6 2HB SER 1 2HB SER 1 -15.927 -3.352 -3.046 7 HG SER 1 HG SER 1 -14.678 -5.162 -3.664 8 H GLN 2 H GLN 2 -12.531 -4.180 -2.201 9 HA GLN 2 HA GLN 2 -11.555 -4.300 0.483 10 1HB GLN 2 1HB GLN 2 -9.823 -5.735 -0.397 11 2HB GLN 2 2HB GLN 2 -11.403 -6.169 -1.062 12 1HG GLN 2 1HG GLN 2 -10.811 -4.909 -3.168 13 2HG GLN 2 2HG GLN 2 -9.190 -4.639 -2.506 14 1HE2 GLN 2 2HE2 GLN 2 -8.037 -6.722 -1.720 15 2HE2 GLN 2 1HE2 GLN 2 -8.199 -8.113 -2.772 16 H GLY 3 H GLY 3 -10.514 -2.456 -2.389 17 1HA GLY 3 1HA GLY 3 -8.168 -1.316 -1.051 18 2HA GLY 3 2HA GLY 3 -8.794 -0.934 -2.661 19 H THR 4 H THR 4 -9.929 -0.732 0.743 20 HA THR 4 HA THR 4 -11.214 1.897 0.202 21 HB THR 4 HB THR 4 -12.719 0.340 1.148 22 HG1 THR 4 HG1 THR 4 -13.209 1.460 3.053 23 1HG2 THR 4 1HG2 THR 4 -10.741 -0.134 3.421 24 2HG2 THR 4 2HG2 THR 4 -12.406 -0.726 3.348 25 3HG2 THR 4 3HG2 THR 4 -11.217 -1.320 2.188 26 H THR 5 H THR 5 -10.452 3.707 1.085 27 HA THR 5 HA THR 5 -7.896 4.235 1.440 28 HB THR 5 HB THR 5 -9.634 5.890 1.203 29 HG1 THR 5 HG1 THR 5 -7.530 6.423 1.946 30 1HG2 THR 5 1HG2 THR 5 -11.241 5.073 2.960 31 2HG2 THR 5 2HG2 THR 5 -10.130 5.691 4.206 32 3HG2 THR 5 3HG2 THR 5 -10.880 6.805 3.056 33 H SER 6 H SER 6 -9.917 3.296 4.239 34 HA SER 6 HA SER 6 -8.231 3.765 6.351 35 1HB SER 6 1HB SER 6 -9.396 1.856 7.462 36 2HB SER 6 2HB SER 6 -10.489 2.991 6.650 37 HG SER 6 HG SER 6 -10.590 1.532 4.899 38 H GLU 7 H GLU 7 -8.242 0.725 4.404 39 HA GLU 7 HA GLU 7 -5.718 -0.139 5.697 40 1HB GLU 7 1HB GLU 7 -6.073 -2.253 4.630 41 2HB GLU 7 2HB GLU 7 -7.514 -1.765 5.535 42 1HG GLU 7 1HG GLU 7 -8.568 -1.053 3.365 43 2HG GLU 7 2HG GLU 7 -7.152 -1.680 2.504 44 H TYR 8 H TYR 8 -7.071 0.832 2.598 45 HA TYR 8 HA TYR 8 -5.032 0.012 0.911 46 1HB TYR 8 1HB TYR 8 -7.362 0.580 0.362 47 2HB TYR 8 2HB TYR 8 -7.005 2.292 0.585 48 HD1 TYR 8 HD1 TYR 8 -5.692 -0.708 -1.275 49 HD2 TYR 8 HD2 TYR 8 -6.659 3.492 -1.404 50 HE1 TYR 8 HE1 TYR 8 -5.358 -0.718 -3.706 51 HE2 TYR 8 HE2 TYR 8 -6.366 3.485 -3.846 52 HH TYR 8 HH TYR 8 -5.374 0.542 -5.658 53 H SER 9 H SER 9 -5.585 3.337 2.218 54 HA SER 9 HA SER 9 -3.636 4.693 0.868 55 1HB SER 9 1HB SER 9 -4.580 5.153 3.698 56 2HB SER 9 2HB SER 9 -3.652 6.309 2.726 57 HG SER 9 HG SER 9 -5.941 6.594 2.630 58 H LYS 10 H LYS 10 -3.246 2.644 3.686 59 HA LYS 10 HA LYS 10 -0.736 3.386 4.681 60 1HB LYS 10 1HB LYS 10 -1.823 0.570 4.674 61 2HB LYS 10 2HB LYS 10 -0.791 1.336 5.879 62 1HG LYS 10 1HG LYS 10 -3.745 1.934 5.350 63 2HG LYS 10 2HG LYS 10 -3.040 0.999 6.650 64 1HD LYS 10 1HD LYS 10 -3.429 2.976 7.728 65 2HD LYS 10 2HD LYS 10 -1.743 3.221 7.253 66 1HE LYS 10 1HE LYS 10 -2.493 4.678 5.379 67 2HE LYS 10 2HE LYS 10 -4.180 4.230 5.698 68 1HZ LYS 10 1HZ LYS 10 -3.614 6.348 6.589 69 2HZ LYS 10 2HZ LYS 10 -3.987 5.303 7.809 70 3HZ LYS 10 3HZ LYS 10 -2.413 5.700 7.514 71 H TYR 11 H TYR 11 -1.523 1.538 1.820 72 HA TYR 11 HA TYR 11 1.384 1.320 1.231 73 1HB TYR 11 1HB TYR 11 0.846 -0.814 0.179 74 2HB TYR 11 2HB TYR 11 0.655 -0.756 1.949 75 HD1 TYR 11 HD1 TYR 11 -1.258 -0.891 -1.279 76 HD2 TYR 11 HD2 TYR 11 -1.414 -1.221 3.012 77 HE1 TYR 11 HE1 TYR 11 -3.434 -2.050 -1.454 78 HE2 TYR 11 HE2 TYR 11 -3.559 -2.471 2.832 79 HH TYR 11 HH TYR 11 -5.144 -3.097 -0.316 80 H LEU 12 H LEU 12 -0.535 3.375 0.469 81 HA LEU 12 HA LEU 12 -0.771 3.002 -2.486 82 1HB LEU 12 1HB LEU 12 -2.742 3.330 -0.982 83 2HB LEU 12 2HB LEU 12 -2.052 4.888 -0.497 84 HG LEU 12 HG LEU 12 -3.997 4.910 -1.999 85 1HD1 LEU 12 1HD2 LEU 12 -3.345 6.776 -3.330 86 2HD1 LEU 12 2HD2 LEU 12 -2.460 6.863 -1.798 87 3HD1 LEU 12 3HD2 LEU 12 -1.639 6.333 -3.283 88 1HD2 LEU 12 1HD1 LEU 12 -3.775 4.429 -4.383 89 2HD2 LEU 12 2HD1 LEU 12 -2.059 4.027 -4.190 90 3HD2 LEU 12 3HD1 LEU 12 -3.301 2.989 -3.457 91 H ASP 13 H ASP 13 0.480 4.952 0.143 92 HA ASP 13 HA ASP 13 1.171 7.290 -1.287 93 1HB ASP 13 1HB ASP 13 0.551 6.884 1.147 94 2HB ASP 13 2HB ASP 13 2.179 6.259 1.386 95 H SER 14 H SER 14 3.919 7.216 0.322 96 HA SER 14 HA SER 14 5.462 6.658 -2.114 97 1HB SER 14 1HB SER 14 6.159 8.078 0.484 98 2HB SER 14 2HB SER 14 7.218 7.929 -0.941 99 HG SER 14 HG SER 14 4.640 9.115 -0.886 100 H ARG 15 H ARG 15 7.234 6.389 0.840 101 HA ARG 15 HA ARG 15 8.556 4.093 0.131 102 1HB ARG 15 1HB ARG 15 9.274 5.705 1.818 103 2HB ARG 15 2HB ARG 15 8.031 5.160 2.946 104 1HG ARG 15 1HG ARG 15 10.191 3.305 1.834 105 2HG ARG 15 2HG ARG 15 10.435 4.330 3.254 106 1HD ARG 15 1HD ARG 15 8.478 3.220 4.371 107 2HD ARG 15 2HD ARG 15 8.419 2.058 3.035 108 HE ARG 15 HE ARG 15 11.061 2.112 3.991 109 1HH1 ARG 15 1HH1 ARG 15 7.816 1.085 5.033 110 2HH1 ARG 15 2HH1 ARG 15 8.424 -0.233 6.007 111 1HH2 ARG 15 1HH2 ARG 15 11.820 0.374 5.270 112 2HH2 ARG 15 2HH2 ARG 15 10.690 -0.635 6.142 113 H ARG 16 H ARG 16 5.827 4.314 2.459 114 HA ARG 16 HA ARG 16 5.760 1.651 3.211 115 1HB ARG 16 1HB ARG 16 3.569 2.074 4.079 116 2HB ARG 16 2HB ARG 16 4.629 3.454 4.368 117 1HG ARG 16 1HG ARG 16 3.563 4.588 2.346 118 2HG ARG 16 2HG ARG 16 2.401 3.261 2.294 119 1HD ARG 16 1HD ARG 16 1.926 3.788 4.795 120 2HD ARG 16 2HD ARG 16 2.908 5.240 4.559 121 HE ARG 16 HE ARG 16 0.711 4.937 2.646 122 1HH1 ARG 16 1HH1 ARG 16 1.551 6.104 5.910 123 2HH1 ARG 16 2HH1 ARG 16 0.207 7.218 5.968 124 1HH2 ARG 16 1HH2 ARG 16 -1.027 6.399 2.774 125 2HH2 ARG 16 2HH2 ARG 16 -1.240 7.403 4.193 126 H ALA 17 H ALA 17 4.329 3.105 0.288 127 HA ALA 17 HA ALA 17 2.827 0.770 -0.484 128 1HB ALA 17 1HB ALA 17 2.354 3.046 -1.322 129 2HB ALA 17 2HB ALA 17 3.897 3.050 -2.180 130 3HB ALA 17 3HB ALA 17 2.640 1.891 -2.642 131 H GLN 18 H GLN 18 6.128 1.989 -1.311 132 HA GLN 18 HA GLN 18 6.646 -0.118 -3.177 133 1HB GLN 18 1HB GLN 18 8.817 1.288 -1.584 134 2HB GLN 18 2HB GLN 18 8.889 0.610 -3.211 135 1HG GLN 18 1HG GLN 18 7.671 3.199 -2.266 136 2HG GLN 18 2HG GLN 18 8.898 2.944 -3.493 137 1HE2 GLN 18 2HE2 GLN 18 5.687 3.757 -3.071 138 2HE2 GLN 18 1HE2 GLN 18 5.080 3.312 -4.651 139 H ASP 19 H ASP 19 7.273 0.241 0.298 140 HA ASP 19 HA ASP 19 8.777 -2.150 0.684 141 1HB ASP 19 1HB ASP 19 8.758 -0.265 2.255 142 2HB ASP 19 2HB ASP 19 7.042 -0.528 2.596 143 H PHE 20 H PHE 20 5.273 -1.374 0.999 144 HA PHE 20 HA PHE 20 4.380 -3.951 1.743 145 1HB PHE 20 1HB PHE 20 3.025 -1.936 1.909 146 2HB PHE 20 2HB PHE 20 3.008 -1.765 0.155 147 HD1 PHE 20 HD1 PHE 20 1.726 -3.693 3.042 148 HD2 PHE 20 HD2 PHE 20 1.564 -3.168 -1.232 149 HE1 PHE 20 HE1 PHE 20 -0.409 -4.963 2.964 150 HE2 PHE 20 HE2 PHE 20 -0.577 -4.427 -1.304 151 HZ PHE 20 HZ PHE 20 -1.570 -5.314 0.794 152 H VAL 21 H VAL 21 4.964 -2.504 -1.544 153 HA VAL 21 HA VAL 21 3.930 -4.811 -2.911 154 HB VAL 21 HB VAL 21 5.711 -2.492 -3.735 155 1HG1 VAL 21 1HG1 VAL 21 5.403 -3.271 -6.097 156 2HG1 VAL 21 2HG1 VAL 21 6.466 -4.315 -5.151 157 3HG1 VAL 21 3HG1 VAL 21 4.789 -4.818 -5.476 158 1HG2 VAL 21 1HG2 VAL 21 2.910 -3.341 -4.609 159 2HG2 VAL 21 2HG2 VAL 21 3.226 -2.138 -3.352 160 3HG2 VAL 21 3HG2 VAL 21 3.742 -1.827 -5.017 161 H GLN 22 H GLN 22 7.249 -3.884 -1.944 162 HA GLN 22 HA GLN 22 8.576 -6.137 -2.964 163 1HB GLN 22 1HB GLN 22 9.616 -4.053 -2.013 164 2HB GLN 22 2HB GLN 22 9.171 -4.606 -0.394 165 1HG GLN 22 1HG GLN 22 11.491 -5.134 -0.821 166 2HG GLN 22 2HG GLN 22 10.571 -6.633 -0.691 167 1HE2 GLN 22 2HE2 GLN 22 11.689 -4.239 -3.175 168 2HE2 GLN 22 1HE2 GLN 22 12.046 -5.435 -4.404 169 H TRP 23 H TRP 23 6.618 -5.750 0.009 170 HA TRP 23 HA TRP 23 7.519 -8.177 1.294 171 1HB TRP 23 1HB TRP 23 6.577 -6.569 2.737 172 2HB TRP 23 2HB TRP 23 5.237 -6.226 1.654 173 HD1 TRP 23 HD1 TRP 23 6.445 -9.158 3.744 174 HE1 TRP 23 HE1 TRP 23 4.357 -10.523 4.590 175 HE3 TRP 23 HE3 TRP 23 2.873 -6.754 1.144 176 HZ2 TRP 23 HZ2 TRP 23 1.548 -10.543 4.087 177 HZ3 TRP 23 HZ3 TRP 23 0.484 -7.494 1.237 178 HH2 TRP 23 HH2 TRP 23 -0.174 -9.373 2.732 179 H LEU 24 H LEU 24 4.601 -7.190 -0.482 180 HA LEU 24 HA LEU 24 3.172 -9.551 -0.578 181 1HB LEU 24 1HB LEU 24 2.714 -7.106 -1.366 182 2HB LEU 24 2HB LEU 24 3.321 -7.641 -2.928 183 HG LEU 24 HG LEU 24 0.960 -8.775 -1.335 184 1HD1 LEU 24 1HD2 LEU 24 -0.415 -7.730 -3.084 185 2HD1 LEU 24 2HD2 LEU 24 0.597 -6.522 -2.274 186 3HD1 LEU 24 3HD2 LEU 24 1.048 -7.115 -3.887 187 1HD2 LEU 24 1HD1 LEU 24 1.778 -10.615 -2.636 188 2HD2 LEU 24 2HD1 LEU 24 0.404 -9.955 -3.516 189 3HD2 LEU 24 3HD1 LEU 24 2.054 -9.581 -4.063 190 H MET 25 H MET 25 5.749 -8.372 -2.714 191 HA MET 25 HA MET 25 5.780 -10.525 -4.605 192 1HB MET 25 1HB MET 25 7.888 -8.526 -3.728 193 2HB MET 25 2HB MET 25 8.193 -9.755 -4.962 194 1HG MET 25 1HG MET 25 6.551 -8.879 -6.428 195 2HG MET 25 2HG MET 25 5.831 -7.870 -5.177 196 1HE MET 25 1HE MET 25 9.778 -8.188 -5.819 197 2HE MET 25 2HE MET 25 9.007 -8.447 -7.405 198 3HE MET 25 3HE MET 25 9.952 -6.972 -7.099 199 H ASN 26 H ASN 26 7.797 -9.986 -1.649 200 HA ASN 26 HA ASN 26 9.283 -12.392 -1.909 201 1HB ASN 26 1HB ASN 26 8.754 -10.476 0.372 202 2HB ASN 26 2HB ASN 26 9.555 -12.020 0.674 203 1HD2 ASN 26 2HD2 ASN 26 9.787 -9.221 -1.609 204 2HD2 ASN 26 1HD2 ASN 26 11.530 -9.254 -1.707 205 H THR 27 H THR 27 6.361 -11.734 0.121 206 HA THR 27 HA THR 27 6.326 -14.388 1.179 207 HB THR 27 HB THR 27 5.342 -12.331 2.212 208 HG1 THR 27 HG1 THR 27 3.725 -14.641 1.977 209 1HG2 THR 27 1HG2 THR 27 3.063 -11.696 1.753 210 2HG2 THR 27 2HG2 THR 27 4.001 -11.530 0.261 211 3HG2 THR 27 3HG2 THR 27 2.904 -12.910 0.478 212 1HN NH2 28 1H NH2 28 4.695 -12.874 -1.648 213 2HN NH2 28 2H NH2 28 3.997 -14.367 -2.228 Start of MODEL 10 1 1H SER 1 1H SER 1 -15.380 2.575 -3.418 2 2H SER 1 2H SER 1 -16.692 1.620 -3.710 3 3H SER 1 3H SER 1 -16.658 2.587 -2.374 4 HA SER 1 HA SER 1 -16.273 0.324 -1.784 5 1HB SER 1 1HB SER 1 -14.212 -0.799 -2.569 6 2HB SER 1 2HB SER 1 -15.324 -0.430 -3.894 7 HG SER 1 HG SER 1 -13.099 1.182 -3.162 8 H GLN 2 H GLN 2 -16.278 2.258 -0.190 9 HA GLN 2 HA GLN 2 -13.975 3.589 0.615 10 1HB GLN 2 1HB GLN 2 -16.279 4.125 1.314 11 2HB GLN 2 2HB GLN 2 -16.309 2.687 2.352 12 1HG GLN 2 1HG GLN 2 -14.417 3.610 3.678 13 2HG GLN 2 2HG GLN 2 -14.343 5.012 2.596 14 1HE2 GLN 2 2HE2 GLN 2 -14.537 5.894 4.980 15 2HE2 GLN 2 1HE2 GLN 2 -16.169 6.291 5.477 16 H GLY 3 H GLY 3 -15.282 0.497 1.925 17 1HA GLY 3 1HA GLY 3 -13.003 0.023 3.666 18 2HA GLY 3 2HA GLY 3 -14.355 -1.064 3.327 19 H THR 4 H THR 4 -12.008 0.445 1.104 20 HA THR 4 HA THR 4 -10.395 -1.893 0.759 21 HB THR 4 HB THR 4 -11.837 -0.945 -1.756 22 HG1 THR 4 HG1 THR 4 -12.518 -2.999 0.039 23 1HG2 THR 4 1HG2 THR 4 -10.947 -3.028 -2.687 24 2HG2 THR 4 2HG2 THR 4 -9.631 -2.020 -2.056 25 3HG2 THR 4 3HG2 THR 4 -10.193 -3.430 -1.130 26 H THR 5 H THR 5 -11.483 0.974 -0.858 27 HA THR 5 HA THR 5 -9.076 1.971 -1.888 28 HB THR 5 HB THR 5 -11.552 3.525 -1.030 29 HG1 THR 5 HG1 THR 5 -10.878 2.252 -3.475 30 1HG2 THR 5 1HG2 THR 5 -9.390 4.138 -3.100 31 2HG2 THR 5 2HG2 THR 5 -10.893 5.057 -2.872 32 3HG2 THR 5 3HG2 THR 5 -9.673 5.031 -1.589 33 H SER 6 H SER 6 -10.704 2.770 1.253 34 HA SER 6 HA SER 6 -8.874 4.744 2.074 35 1HB SER 6 1HB SER 6 -10.571 2.862 3.760 36 2HB SER 6 2HB SER 6 -9.816 4.369 4.317 37 HG SER 6 HG SER 6 -11.036 5.461 2.700 38 H GLU 7 H GLU 7 -8.519 1.231 2.119 39 HA GLU 7 HA GLU 7 -6.278 1.330 4.044 40 1HB GLU 7 1HB GLU 7 -7.955 -0.438 4.269 41 2HB GLU 7 2HB GLU 7 -7.680 -0.961 2.601 42 1HG GLU 7 1HG GLU 7 -6.544 -2.427 4.209 43 2HG GLU 7 2HG GLU 7 -5.394 -1.627 3.139 44 H TYR 8 H TYR 8 -7.001 0.327 0.701 45 HA TYR 8 HA TYR 8 -4.508 -0.307 -0.304 46 1HB TYR 8 1HB TYR 8 -6.548 -0.679 -1.517 47 2HB TYR 8 2HB TYR 8 -6.927 1.041 -1.530 48 HD1 TYR 8 HD1 TYR 8 -6.139 2.486 -3.251 49 HD2 TYR 8 HD2 TYR 8 -4.465 -1.464 -2.823 50 HE1 TYR 8 HE1 TYR 8 -5.078 2.704 -5.462 51 HE2 TYR 8 HE2 TYR 8 -3.399 -1.253 -5.041 52 HH TYR 8 HH TYR 8 -3.749 1.693 -7.065 53 H SER 9 H SER 9 -6.037 2.925 -0.149 54 HA SER 9 HA SER 9 -4.150 4.403 -1.552 55 1HB SER 9 1HB SER 9 -5.104 6.361 -0.352 56 2HB SER 9 2HB SER 9 -6.324 5.283 -1.049 57 HG SER 9 HG SER 9 -6.685 4.420 0.977 58 H LYS 10 H LYS 10 -3.719 3.007 1.647 59 HA LYS 10 HA LYS 10 -1.650 4.860 2.498 60 1HB LYS 10 1HB LYS 10 -2.165 1.997 3.368 61 2HB LYS 10 2HB LYS 10 -1.201 3.214 4.202 62 1HG LYS 10 1HG LYS 10 -4.236 3.256 3.810 63 2HG LYS 10 2HG LYS 10 -3.336 2.904 5.276 64 1HD LYS 10 1HD LYS 10 -3.931 5.044 5.698 65 2HD LYS 10 2HD LYS 10 -2.349 5.341 4.968 66 1HE LYS 10 1HE LYS 10 -3.463 6.012 2.847 67 2HE LYS 10 2HE LYS 10 -5.021 5.456 3.468 68 1HZ LYS 10 1HZ LYS 10 -4.886 7.153 5.124 69 2HZ LYS 10 2HZ LYS 10 -3.423 7.656 4.551 70 3HZ LYS 10 3HZ LYS 10 -4.771 7.798 3.611 71 H TYR 11 H TYR 11 -1.637 1.499 1.110 72 HA TYR 11 HA TYR 11 1.241 1.777 0.546 73 1HB TYR 11 1HB TYR 11 0.985 -0.636 -0.094 74 2HB TYR 11 2HB TYR 11 0.850 -0.190 1.604 75 HD1 TYR 11 HD1 TYR 11 -1.137 -0.556 2.880 76 HD2 TYR 11 HD2 TYR 11 -1.066 -1.439 -1.342 77 HE1 TYR 11 HE1 TYR 11 -3.092 -2.047 3.150 78 HE2 TYR 11 HE2 TYR 11 -3.083 -2.835 -1.086 79 HH TYR 11 HH TYR 11 -4.635 -3.704 0.370 80 H LEU 12 H LEU 12 0.130 3.551 -0.754 81 HA LEU 12 HA LEU 12 0.078 2.723 -3.570 82 1HB LEU 12 1HB LEU 12 -2.214 2.954 -2.827 83 2HB LEU 12 2HB LEU 12 -1.884 4.539 -2.133 84 HG LEU 12 HG LEU 12 -3.213 4.493 -4.210 85 1HD1 LEU 12 1HD1 LEU 12 -0.674 6.113 -4.610 86 2HD1 LEU 12 2HD1 LEU 12 -2.296 6.439 -5.223 87 3HD1 LEU 12 3HD1 LEU 12 -1.982 6.535 -3.482 88 1HD2 LEU 12 1HD2 LEU 12 -2.182 4.107 -6.379 89 2HD2 LEU 12 2HD2 LEU 12 -0.599 3.817 -5.633 90 3HD2 LEU 12 3HD2 LEU 12 -1.930 2.673 -5.362 91 H ASP 13 H ASP 13 0.195 5.250 -1.109 92 HA ASP 13 HA ASP 13 1.190 7.481 -2.203 93 1HB ASP 13 1HB ASP 13 0.448 7.189 0.081 94 2HB ASP 13 2HB ASP 13 1.845 6.188 0.458 95 H SER 14 H SER 14 3.661 5.937 -0.341 96 HA SER 14 HA SER 14 5.582 5.966 -2.593 97 1HB SER 14 1HB SER 14 7.077 7.573 -1.495 98 2HB SER 14 2HB SER 14 5.524 8.301 -1.927 99 HG SER 14 HG SER 14 4.875 8.060 0.239 100 H ARG 15 H ARG 15 6.849 6.341 0.617 101 HA ARG 15 HA ARG 15 8.541 4.168 0.412 102 1HB ARG 15 1HB ARG 15 8.728 6.072 1.981 103 2HB ARG 15 2HB ARG 15 7.468 5.382 3.001 104 1HG ARG 15 1HG ARG 15 10.153 4.066 2.349 105 2HG ARG 15 2HG ARG 15 9.790 5.020 3.788 106 1HD ARG 15 1HD ARG 15 7.912 3.281 4.275 107 2HD ARG 15 2HD ARG 15 8.716 2.277 3.062 108 HE ARG 15 HE ARG 15 10.431 1.827 4.456 109 1HH1 ARG 15 1HH1 ARG 15 8.597 4.544 5.856 110 2HH1 ARG 15 2HH1 ARG 15 9.444 4.464 7.383 111 1HH2 ARG 15 1HH2 ARG 15 11.512 1.763 6.455 112 2HH2 ARG 15 2HH2 ARG 15 11.096 2.896 7.720 113 H ARG 16 H ARG 16 5.625 4.265 2.506 114 HA ARG 16 HA ARG 16 5.576 1.567 3.215 115 1HB ARG 16 1HB ARG 16 3.177 1.936 3.727 116 2HB ARG 16 2HB ARG 16 4.274 3.138 4.420 117 1HG ARG 16 1HG ARG 16 3.663 4.772 2.699 118 2HG ARG 16 2HG ARG 16 2.644 3.573 1.882 119 1HD ARG 16 1HD ARG 16 1.130 3.471 3.744 120 2HD ARG 16 2HD ARG 16 2.191 4.422 4.780 121 HE ARG 16 HE ARG 16 0.447 5.360 2.602 122 1HH1 ARG 16 1HH1 ARG 16 3.120 6.291 4.768 123 2HH1 ARG 16 2HH1 ARG 16 2.756 7.995 4.651 124 1HH2 ARG 16 1HH2 ARG 16 -0.026 7.579 2.524 125 2HH2 ARG 16 2HH2 ARG 16 0.983 8.726 3.374 126 H ALA 17 H ALA 17 4.439 3.067 0.193 127 HA ALA 17 HA ALA 17 2.934 0.776 -0.693 128 1HB ALA 17 1HB ALA 17 2.731 1.939 -2.761 129 2HB ALA 17 2HB ALA 17 2.633 3.151 -1.460 130 3HB ALA 17 3HB ALA 17 4.108 2.989 -2.407 131 H GLN 18 H GLN 18 6.297 1.951 -1.326 132 HA GLN 18 HA GLN 18 6.895 -0.201 -3.122 133 1HB GLN 18 1HB GLN 18 8.960 1.291 -1.468 134 2HB GLN 18 2HB GLN 18 9.167 0.458 -3.008 135 1HG GLN 18 1HG GLN 18 8.046 3.170 -2.431 136 2HG GLN 18 2HG GLN 18 9.228 2.678 -3.625 137 1HE2 GLN 18 2HE2 GLN 18 6.063 3.680 -3.205 138 2HE2 GLN 18 1HE2 GLN 18 5.393 3.166 -4.739 139 H ASP 19 H ASP 19 7.228 0.233 0.372 140 HA ASP 19 HA ASP 19 8.773 -2.118 0.922 141 1HB ASP 19 1HB ASP 19 8.593 -0.226 2.478 142 2HB ASP 19 2HB ASP 19 6.854 -0.497 2.652 143 H PHE 20 H PHE 20 5.265 -1.362 1.000 144 HA PHE 20 HA PHE 20 4.328 -3.913 1.728 145 1HB PHE 20 1HB PHE 20 2.976 -1.893 1.821 146 2HB PHE 20 2HB PHE 20 3.029 -1.742 0.062 147 HD1 PHE 20 HD1 PHE 20 1.586 -3.551 2.936 148 HD2 PHE 20 HD2 PHE 20 1.685 -3.243 -1.361 149 HE1 PHE 20 HE1 PHE 20 -0.454 -4.963 2.786 150 HE2 PHE 20 HE2 PHE 20 -0.337 -4.679 -1.509 151 HZ PHE 20 HZ PHE 20 -1.406 -5.541 0.564 152 H VAL 21 H VAL 21 4.992 -2.532 -1.610 153 HA VAL 21 HA VAL 21 3.837 -4.928 -2.751 154 HB VAL 21 HB VAL 21 3.879 -2.675 -3.872 155 1HG1 VAL 21 1HG1 VAL 21 6.331 -2.250 -3.625 156 2HG1 VAL 21 2HG1 VAL 21 6.659 -3.537 -4.799 157 3HG1 VAL 21 3HG1 VAL 21 5.752 -2.093 -5.288 158 1HG2 VAL 21 1HG2 VAL 21 3.140 -4.743 -4.985 159 2HG2 VAL 21 2HG2 VAL 21 3.986 -3.674 -6.115 160 3HG2 VAL 21 3HG2 VAL 21 4.813 -5.102 -5.463 161 H GLN 22 H GLN 22 7.173 -3.883 -2.034 162 HA GLN 22 HA GLN 22 8.527 -6.101 -3.114 163 1HB GLN 22 1HB GLN 22 9.644 -4.090 -2.269 164 2HB GLN 22 2HB GLN 22 9.097 -4.439 -0.623 165 1HG GLN 22 1HG GLN 22 11.441 -5.024 -0.920 166 2HG GLN 22 2HG GLN 22 10.494 -6.459 -0.545 167 1HE2 GLN 22 2HE2 GLN 22 10.130 -8.044 -2.245 168 2HE2 GLN 22 1HE2 GLN 22 11.135 -8.063 -3.683 169 H TRP 23 H TRP 23 6.727 -5.714 -0.014 170 HA TRP 23 HA TRP 23 7.699 -8.140 1.192 171 1HB TRP 23 1HB TRP 23 6.880 -6.486 2.672 172 2HB TRP 23 2HB TRP 23 5.449 -6.177 1.695 173 HD1 TRP 23 HD1 TRP 23 6.853 -9.013 3.804 174 HE1 TRP 23 HE1 TRP 23 4.851 -10.386 4.822 175 HE3 TRP 23 HE3 TRP 23 3.068 -6.739 1.382 176 HZ2 TRP 23 HZ2 TRP 23 2.015 -10.479 4.498 177 HZ3 TRP 23 HZ3 TRP 23 0.704 -7.518 1.656 178 HH2 TRP 23 HH2 TRP 23 0.186 -9.377 3.230 179 H LEU 24 H LEU 24 4.644 -7.156 -0.327 180 HA LEU 24 HA LEU 24 3.205 -9.497 -0.345 181 1HB LEU 24 1HB LEU 24 2.392 -7.270 -1.012 182 2HB LEU 24 2HB LEU 24 3.394 -7.326 -2.463 183 HG LEU 24 HG LEU 24 2.069 -9.248 -3.323 184 1HD1 LEU 24 1HD2 LEU 24 1.292 -10.287 -1.236 185 2HD1 LEU 24 2HD2 LEU 24 0.398 -8.811 -0.802 186 3HD1 LEU 24 3HD2 LEU 24 -0.103 -9.789 -2.197 187 1HD2 LEU 24 1HD1 LEU 24 0.390 -6.851 -2.488 188 2HD2 LEU 24 2HD1 LEU 24 1.469 -6.921 -3.898 189 3HD2 LEU 24 3HD1 LEU 24 0.038 -7.966 -3.825 190 H MET 25 H MET 25 5.709 -8.406 -2.609 191 HA MET 25 HA MET 25 5.477 -10.634 -4.438 192 1HB MET 25 1HB MET 25 7.622 -8.534 -3.985 193 2HB MET 25 2HB MET 25 7.789 -9.816 -5.189 194 1HG MET 25 1HG MET 25 5.418 -7.915 -5.128 195 2HG MET 25 2HG MET 25 6.890 -7.635 -6.065 196 1HE MET 25 1HE MET 25 4.188 -8.458 -8.767 197 2HE MET 25 2HE MET 25 3.926 -7.605 -7.229 198 3HE MET 25 3HE MET 25 5.386 -7.275 -8.193 199 H ASN 26 H ASN 26 7.698 -9.947 -1.667 200 HA ASN 26 HA ASN 26 9.252 -12.306 -1.975 201 1HB ASN 26 1HB ASN 26 8.619 -10.719 0.554 202 2HB ASN 26 2HB ASN 26 9.848 -11.979 0.423 203 1HD2 ASN 26 2HD2 ASN 26 11.114 -11.437 -2.004 204 2HD2 ASN 26 1HD2 ASN 26 11.873 -9.864 -1.898 205 H THR 27 H THR 27 6.379 -11.727 0.137 206 HA THR 27 HA THR 27 6.406 -14.407 1.147 207 HB THR 27 HB THR 27 5.472 -12.415 2.295 208 HG1 THR 27 HG1 THR 27 3.778 -13.639 3.202 209 1HG2 THR 27 1HG2 THR 27 4.105 -11.486 0.413 210 2HG2 THR 27 2HG2 THR 27 2.972 -12.840 0.611 211 3HG2 THR 27 3HG2 THR 27 3.211 -11.683 1.927 212 1HN NH2 28 1H NH2 28 4.565 -12.803 -1.512 213 2HN NH2 28 2H NH2 28 3.904 -14.293 -2.141 Start of MODEL 11 1 1H SER 1 1H SER 1 -11.209 -0.845 12.404 2 2H SER 1 2H SER 1 -12.083 0.465 11.912 3 3H SER 1 3H SER 1 -12.655 -1.060 11.643 4 HA SER 1 HA SER 1 -11.832 -0.110 9.652 5 1HB SER 1 1HB SER 1 -10.186 1.365 10.814 6 2HB SER 1 2HB SER 1 -9.136 -0.041 11.067 7 HG SER 1 HG SER 1 -10.071 0.781 8.512 8 H GLN 2 H GLN 2 -9.392 -1.306 8.694 9 HA GLN 2 HA GLN 2 -9.475 -4.164 9.175 10 1HB GLN 2 1HB GLN 2 -10.306 -4.771 6.971 11 2HB GLN 2 2HB GLN 2 -11.545 -3.874 7.842 12 1HG GLN 2 1HG GLN 2 -9.723 -2.737 5.671 13 2HG GLN 2 2HG GLN 2 -11.384 -3.261 5.442 14 1HE2 GLN 2 2HE2 GLN 2 -13.089 -2.144 6.825 15 2HE2 GLN 2 1HE2 GLN 2 -12.873 -0.427 7.096 16 H GLY 3 H GLY 3 -7.963 -5.268 7.574 17 1HA GLY 3 1HA GLY 3 -5.509 -3.707 7.433 18 2HA GLY 3 2HA GLY 3 -5.733 -5.413 7.045 19 H THR 4 H THR 4 -7.537 -2.682 5.607 20 HA THR 4 HA THR 4 -6.005 -2.413 3.274 21 HB THR 4 HB THR 4 -6.853 -4.655 2.700 22 HG1 THR 4 HG1 THR 4 -7.736 -4.110 0.724 23 1HG2 THR 4 1HG2 THR 4 -9.245 -5.040 2.285 24 2HG2 THR 4 2HG2 THR 4 -8.937 -4.699 3.996 25 3HG2 THR 4 3HG2 THR 4 -9.638 -3.445 2.953 26 H THR 5 H THR 5 -7.908 -1.441 1.532 27 HA THR 5 HA THR 5 -8.830 0.531 1.016 28 HB THR 5 HB THR 5 -11.020 1.009 2.015 29 HG1 THR 5 HG1 THR 5 -10.222 -0.964 3.868 30 1HG2 THR 5 1HG2 THR 5 -12.100 -1.086 1.368 31 2HG2 THR 5 2HG2 THR 5 -10.807 -0.667 0.230 32 3HG2 THR 5 3HG2 THR 5 -10.551 -1.945 1.434 33 H SER 6 H SER 6 -9.820 1.256 4.315 34 HA SER 6 HA SER 6 -8.699 3.850 4.325 35 1HB SER 6 1HB SER 6 -9.417 2.082 6.699 36 2HB SER 6 2HB SER 6 -9.306 3.853 6.690 37 HG SER 6 HG SER 6 -11.002 3.828 5.117 38 H GLU 7 H GLU 7 -7.311 0.722 5.166 39 HA GLU 7 HA GLU 7 -4.987 1.892 6.559 40 1HB GLU 7 1HB GLU 7 -6.124 -0.078 7.503 41 2HB GLU 7 2HB GLU 7 -5.864 -0.966 5.993 42 1HG GLU 7 1HG GLU 7 -4.243 -1.614 7.729 43 2HG GLU 7 2HG GLU 7 -3.477 -0.932 6.298 44 H TYR 8 H TYR 8 -5.948 0.128 3.617 45 HA TYR 8 HA TYR 8 -3.452 -0.228 2.390 46 1HB TYR 8 1HB TYR 8 -5.509 -1.233 1.542 47 2HB TYR 8 2HB TYR 8 -6.180 0.363 1.194 48 HD1 TYR 8 HD1 TYR 8 -5.863 1.317 -0.934 49 HD2 TYR 8 HD2 TYR 8 -3.303 -1.887 0.381 50 HE1 TYR 8 HE1 TYR 8 -4.776 1.297 -3.123 51 HE2 TYR 8 HE2 TYR 8 -2.099 -1.821 -1.749 52 HH TYR 8 HH TYR 8 -3.030 0.434 -4.408 53 H SER 9 H SER 9 -5.563 2.633 2.544 54 HA SER 9 HA SER 9 -4.381 4.324 0.713 55 1HB SER 9 1HB SER 9 -5.554 4.993 3.436 56 2HB SER 9 2HB SER 9 -5.232 6.165 2.144 57 HG SER 9 HG SER 9 -6.949 3.911 1.952 58 H LYS 10 H LYS 10 -2.960 3.273 3.798 59 HA LYS 10 HA LYS 10 -0.974 5.404 3.914 60 1HB LYS 10 1HB LYS 10 -0.950 2.672 5.228 61 2HB LYS 10 2HB LYS 10 -0.028 4.104 5.684 62 1HG LYS 10 1HG LYS 10 -3.050 3.713 5.958 63 2HG LYS 10 2HG LYS 10 -1.834 3.733 7.221 64 1HD LYS 10 1HD LYS 10 -2.763 5.794 7.443 65 2HD LYS 10 2HD LYS 10 -1.333 6.182 6.481 66 1HE LYS 10 1HE LYS 10 -2.715 6.526 4.496 67 2HE LYS 10 2HE LYS 10 -4.088 5.694 5.240 68 1HZ LYS 10 1HZ LYS 10 -4.339 8.041 5.232 69 2HZ LYS 10 2HZ LYS 10 -4.244 7.492 6.783 70 3HZ LYS 10 3HZ LYS 10 -2.950 8.250 6.096 71 H TYR 11 H TYR 11 -0.987 1.927 2.911 72 HA TYR 11 HA TYR 11 1.649 2.293 1.631 73 1HB TYR 11 1HB TYR 11 1.490 -0.195 1.422 74 2HB TYR 11 2HB TYR 11 1.767 0.511 3.010 75 HD1 TYR 11 HD1 TYR 11 0.249 0.347 4.827 76 HD2 TYR 11 HD2 TYR 11 -0.679 -1.417 1.007 77 HE1 TYR 11 HE1 TYR 11 -1.267 -1.252 5.938 78 HE2 TYR 11 HE2 TYR 11 -2.252 -2.987 2.124 79 HH TYR 11 HH TYR 11 -3.275 -3.604 4.115 80 H LEU 12 H LEU 12 -0.041 3.756 0.594 81 HA LEU 12 HA LEU 12 -0.374 2.699 -2.116 82 1HB LEU 12 1HB LEU 12 -2.573 2.725 -1.225 83 2HB LEU 12 2HB LEU 12 -2.308 4.282 -0.435 84 HG LEU 12 HG LEU 12 -2.302 5.447 -2.578 85 1HD1 LEU 12 1HD1 LEU 12 -2.940 2.705 -3.792 86 2HD1 LEU 12 2HD1 LEU 12 -2.979 4.249 -4.662 87 3HD1 LEU 12 3HD1 LEU 12 -1.444 3.608 -4.067 88 1HD2 LEU 12 1HD2 LEU 12 -4.405 5.245 -1.419 89 2HD2 LEU 12 2HD2 LEU 12 -4.689 5.106 -3.159 90 3HD2 LEU 12 3HD2 LEU 12 -4.711 3.650 -2.141 91 H ASP 13 H ASP 13 0.663 5.121 0.181 92 HA ASP 13 HA ASP 13 1.074 7.303 -1.650 93 1HB ASP 13 1HB ASP 13 0.449 7.450 0.768 94 2HB ASP 13 2HB ASP 13 2.027 6.798 1.198 95 H SER 14 H SER 14 3.828 7.270 0.192 96 HA SER 14 HA SER 14 5.462 6.596 -2.162 97 1HB SER 14 1HB SER 14 6.094 8.112 0.398 98 2HB SER 14 2HB SER 14 7.178 7.911 -1.003 99 HG SER 14 HG SER 14 5.519 8.928 -2.254 100 H ARG 15 H ARG 15 7.193 6.446 0.782 101 HA ARG 15 HA ARG 15 8.523 4.153 0.265 102 1HB ARG 15 1HB ARG 15 9.055 5.863 1.957 103 2HB ARG 15 2HB ARG 15 7.823 5.216 3.040 104 1HG ARG 15 1HG ARG 15 10.202 3.607 1.993 105 2HG ARG 15 2HG ARG 15 10.238 4.575 3.468 106 1HD ARG 15 1HD ARG 15 8.312 3.212 4.369 107 2HD ARG 15 2HD ARG 15 8.520 2.095 3.023 108 HE ARG 15 HE ARG 15 10.150 2.313 5.373 109 1HH1 ARG 15 1HH1 ARG 15 10.280 1.396 1.928 110 2HH1 ARG 15 2HH1 ARG 15 11.613 0.292 2.168 111 1HH2 ARG 15 1HH2 ARG 15 11.871 0.853 5.638 112 2HH2 ARG 15 2HH2 ARG 15 12.510 -0.019 4.263 113 H ARG 16 H ARG 16 5.665 4.359 2.420 114 HA ARG 16 HA ARG 16 5.471 1.750 3.294 115 1HB ARG 16 1HB ARG 16 3.308 3.768 2.569 116 2HB ARG 16 2HB ARG 16 3.016 2.274 3.493 117 1HG ARG 16 1HG ARG 16 4.583 2.921 5.189 118 2HG ARG 16 2HG ARG 16 4.950 4.442 4.342 119 1HD ARG 16 1HD ARG 16 2.169 3.622 5.280 120 2HD ARG 16 2HD ARG 16 3.231 4.661 6.232 121 HE ARG 16 HE ARG 16 1.704 5.353 3.836 122 1HH1 ARG 16 1HH1 ARG 16 4.510 6.317 5.810 123 2HH1 ARG 16 2HH1 ARG 16 4.415 7.989 5.311 124 1HH2 ARG 16 1HH2 ARG 16 1.594 7.541 3.245 125 2HH2 ARG 16 2HH2 ARG 16 2.775 8.680 3.848 126 H ALA 17 H ALA 17 4.086 3.117 0.268 127 HA ALA 17 HA ALA 17 2.797 0.719 -0.579 128 1HB ALA 17 1HB ALA 17 2.296 2.980 -1.448 129 2HB ALA 17 2HB ALA 17 3.870 3.014 -2.257 130 3HB ALA 17 3HB ALA 17 2.656 1.815 -2.742 131 H GLN 18 H GLN 18 6.143 1.938 -0.919 132 HA GLN 18 HA GLN 18 6.836 0.030 -3.000 133 1HB GLN 18 1HB GLN 18 8.840 1.377 -1.156 134 2HB GLN 18 2HB GLN 18 9.075 0.743 -2.784 135 1HG GLN 18 1HG GLN 18 7.715 3.284 -1.909 136 2HG GLN 18 2HG GLN 18 9.078 3.088 -2.997 137 1HE2 GLN 18 2HE2 GLN 18 5.837 3.826 -2.909 138 2HE2 GLN 18 1HE2 GLN 18 5.399 3.401 -4.554 139 H ASP 19 H ASP 19 7.186 0.219 0.496 140 HA ASP 19 HA ASP 19 8.785 -2.131 0.885 141 1HB ASP 19 1HB ASP 19 8.537 -0.264 2.517 142 2HB ASP 19 2HB ASP 19 6.854 -0.721 2.789 143 H PHE 20 H PHE 20 5.302 -1.399 0.988 144 HA PHE 20 HA PHE 20 4.318 -3.942 1.633 145 1HB PHE 20 1HB PHE 20 3.015 -1.921 1.767 146 2HB PHE 20 2HB PHE 20 3.102 -1.683 0.019 147 HD1 PHE 20 HD1 PHE 20 1.826 -3.978 2.683 148 HD2 PHE 20 HD2 PHE 20 1.503 -2.710 -1.423 149 HE1 PHE 20 HE1 PHE 20 -0.229 -5.348 2.420 150 HE2 PHE 20 HE2 PHE 20 -0.540 -4.098 -1.690 151 HZ PHE 20 HZ PHE 20 -1.405 -5.421 0.229 152 H VAL 21 H VAL 21 5.087 -2.540 -1.687 153 HA VAL 21 HA VAL 21 3.969 -4.978 -2.843 154 HB VAL 21 HB VAL 21 4.789 -4.275 -4.998 155 1HG1 VAL 21 1HG2 VAL 21 3.334 -2.314 -5.235 156 2HG1 VAL 21 2HG2 VAL 21 2.595 -3.562 -4.218 157 3HG1 VAL 21 3HG2 VAL 21 3.289 -2.112 -3.474 158 1HG2 VAL 21 1HG1 VAL 21 5.794 -2.079 -5.362 159 2HG2 VAL 21 2HG1 VAL 21 5.895 -1.827 -3.615 160 3HG2 VAL 21 3HG1 VAL 21 6.865 -3.097 -4.388 161 H GLN 22 H GLN 22 7.284 -3.933 -2.054 162 HA GLN 22 HA GLN 22 8.658 -6.176 -3.123 163 1HB GLN 22 1HB GLN 22 9.125 -4.519 -0.605 164 2HB GLN 22 2HB GLN 22 10.270 -5.724 -1.203 165 1HG GLN 22 1HG GLN 22 9.281 -3.378 -2.865 166 2HG GLN 22 2HG GLN 22 10.731 -3.329 -1.853 167 1HE2 GLN 22 2HE2 GLN 22 12.364 -5.182 -2.310 168 2HE2 GLN 22 1HE2 GLN 22 12.602 -5.604 -3.993 169 H TRP 23 H TRP 23 6.860 -5.724 -0.069 170 HA TRP 23 HA TRP 23 7.748 -8.169 1.170 171 1HB TRP 23 1HB TRP 23 6.969 -6.469 2.622 172 2HB TRP 23 2HB TRP 23 5.532 -6.163 1.649 173 HD1 TRP 23 HD1 TRP 23 6.929 -8.975 3.797 174 HE1 TRP 23 HE1 TRP 23 4.926 -10.337 4.827 175 HE3 TRP 23 HE3 TRP 23 3.161 -6.726 1.345 176 HZ2 TRP 23 HZ2 TRP 23 2.093 -10.447 4.480 177 HZ3 TRP 23 HZ3 TRP 23 0.800 -7.551 1.568 178 HH2 TRP 23 HH2 TRP 23 0.274 -9.384 3.166 179 H LEU 24 H LEU 24 4.721 -7.141 -0.357 180 HA LEU 24 HA LEU 24 3.223 -9.444 -0.346 181 1HB LEU 24 1HB LEU 24 2.474 -7.204 -1.031 182 2HB LEU 24 2HB LEU 24 3.473 -7.300 -2.484 183 HG LEU 24 HG LEU 24 2.080 -9.158 -3.346 184 1HD1 LEU 24 1HD1 LEU 24 -0.089 -9.671 -2.203 185 2HD1 LEU 24 2HD1 LEU 24 1.306 -10.210 -1.264 186 3HD1 LEU 24 3HD1 LEU 24 0.447 -8.723 -0.801 187 1HD2 LEU 24 1HD2 LEU 24 0.472 -6.729 -2.447 188 2HD2 LEU 24 2HD2 LEU 24 1.523 -6.809 -3.878 189 3HD2 LEU 24 3HD2 LEU 24 0.066 -7.816 -3.793 190 H MET 25 H MET 25 5.763 -8.457 -2.625 191 HA MET 25 HA MET 25 5.445 -10.718 -4.409 192 1HB MET 25 1HB MET 25 7.638 -8.649 -4.043 193 2HB MET 25 2HB MET 25 7.752 -9.960 -5.223 194 1HG MET 25 1HG MET 25 5.431 -7.998 -5.151 195 2HG MET 25 2HG MET 25 6.884 -7.784 -6.132 196 1HE MET 25 1HE MET 25 5.328 -7.436 -8.228 197 2HE MET 25 2HE MET 25 4.090 -8.604 -8.744 198 3HE MET 25 3HE MET 25 3.886 -7.709 -7.221 199 H ASN 26 H ASN 26 7.684 -9.993 -1.673 200 HA ASN 26 HA ASN 26 9.242 -12.351 -1.923 201 1HB ASN 26 1HB ASN 26 8.577 -10.797 0.617 202 2HB ASN 26 2HB ASN 26 9.878 -11.972 0.424 203 1HD2 ASN 26 2HD2 ASN 26 10.818 -11.125 -2.216 204 2HD2 ASN 26 1HD2 ASN 26 11.564 -9.561 -1.981 205 H THR 27 H THR 27 6.337 -11.745 0.136 206 HA THR 27 HA THR 27 6.334 -14.426 1.166 207 HB THR 27 HB THR 27 5.404 -12.434 2.306 208 HG1 THR 27 HG1 THR 27 3.673 -13.636 3.171 209 1HG2 THR 27 1HG2 THR 27 2.933 -12.806 0.567 210 2HG2 THR 27 2HG2 THR 27 3.158 -11.669 1.903 211 3HG2 THR 27 3HG2 THR 27 4.087 -11.463 0.412 212 1HN NH2 28 1H NH2 28 4.535 -12.800 -1.511 213 2HN NH2 28 2H NH2 28 3.879 -14.285 -2.156 Start of MODEL 12 1 1H SER 1 1H SER 1 -10.180 -1.237 4.088 2 2H SER 1 2H SER 1 -10.955 -2.035 2.872 3 3H SER 1 3H SER 1 -11.714 -0.805 3.667 4 HA SER 1 HA SER 1 -11.736 -2.008 5.680 5 1HB SER 1 1HB SER 1 -13.393 -3.732 5.058 6 2HB SER 1 2HB SER 1 -13.686 -2.172 4.275 7 HG SER 1 HG SER 1 -12.560 -3.079 2.413 8 H GLN 2 H GLN 2 -11.476 -4.792 3.535 9 HA GLN 2 HA GLN 2 -9.605 -6.118 5.370 10 1HB GLN 2 1HB GLN 2 -9.973 -8.059 3.880 11 2HB GLN 2 2HB GLN 2 -11.440 -7.422 4.621 12 1HG GLN 2 1HG GLN 2 -12.198 -6.420 2.586 13 2HG GLN 2 2HG GLN 2 -10.647 -6.660 1.776 14 1HE2 GLN 2 2HE2 GLN 2 -9.898 -9.011 1.593 15 2HE2 GLN 2 1HE2 GLN 2 -11.138 -10.189 1.212 16 H GLY 3 H GLY 3 -8.140 -4.142 4.681 17 1HA GLY 3 1HA GLY 3 -6.123 -3.546 3.775 18 2HA GLY 3 2HA GLY 3 -5.985 -5.149 3.039 19 H THR 4 H THR 4 -8.531 -2.652 2.681 20 HA THR 4 HA THR 4 -7.937 -2.310 -0.214 21 HB THR 4 HB THR 4 -10.417 -2.523 -0.601 22 HG1 THR 4 HG1 THR 4 -10.384 -3.744 1.955 23 1HG2 THR 4 1HG2 THR 4 -8.877 -4.376 -1.170 24 2HG2 THR 4 2HG2 THR 4 -9.089 -5.055 0.457 25 3HG2 THR 4 3HG2 THR 4 -10.470 -4.958 -0.649 26 H THR 5 H THR 5 -9.120 -0.505 -1.117 27 HA THR 5 HA THR 5 -9.443 1.700 -1.244 28 HB THR 5 HB THR 5 -11.531 1.013 0.864 29 HG1 THR 5 HG1 THR 5 -11.539 0.762 -1.951 30 1HG2 THR 5 1HG2 THR 5 -11.449 3.463 0.368 31 2HG2 THR 5 2HG2 THR 5 -11.496 3.104 -1.370 32 3HG2 THR 5 3HG2 THR 5 -12.885 2.711 -0.339 33 H SER 6 H SER 6 -10.387 2.010 2.161 34 HA SER 6 HA SER 6 -8.818 4.345 2.510 35 1HB SER 6 1HB SER 6 -9.573 4.084 4.895 36 2HB SER 6 2HB SER 6 -10.882 4.004 3.702 37 HG SER 6 HG SER 6 -9.611 1.794 4.952 38 H GLU 7 H GLU 7 -8.129 0.933 3.095 39 HA GLU 7 HA GLU 7 -5.805 1.509 4.813 40 1HB GLU 7 1HB GLU 7 -7.306 -0.351 5.384 41 2HB GLU 7 2HB GLU 7 -7.041 -1.086 3.795 42 1HG GLU 7 1HG GLU 7 -5.704 -2.149 5.608 43 2HG GLU 7 2HG GLU 7 -4.718 -1.503 4.293 44 H TYR 8 H TYR 8 -6.701 0.286 1.587 45 HA TYR 8 HA TYR 8 -4.148 -0.256 0.548 46 1HB TYR 8 1HB TYR 8 -6.181 -0.889 -0.588 47 2HB TYR 8 2HB TYR 8 -6.670 0.798 -0.774 48 HD1 TYR 8 HD1 TYR 8 -4.089 -1.698 -1.759 49 HD2 TYR 8 HD2 TYR 8 -5.807 2.172 -2.548 50 HE1 TYR 8 HE1 TYR 8 -2.598 -1.441 -3.695 51 HE2 TYR 8 HE2 TYR 8 -4.386 2.409 -4.530 52 HH TYR 8 HH TYR 8 -2.746 1.425 -5.864 53 H SER 9 H SER 9 -5.928 2.837 0.802 54 HA SER 9 HA SER 9 -4.261 4.506 -0.674 55 1HB SER 9 1HB SER 9 -5.862 5.113 1.840 56 2HB SER 9 2HB SER 9 -5.155 6.331 0.763 57 HG SER 9 HG SER 9 -7.040 4.355 0.003 58 H LYS 10 H LYS 10 -3.470 2.970 2.407 59 HA LYS 10 HA LYS 10 -1.376 4.861 3.119 60 1HB LYS 10 1HB LYS 10 -1.743 1.968 3.963 61 2HB LYS 10 2HB LYS 10 -0.764 3.200 4.751 62 1HG LYS 10 1HG LYS 10 -3.819 3.138 4.599 63 2HG LYS 10 2HG LYS 10 -2.793 2.783 5.978 64 1HD LYS 10 1HD LYS 10 -3.460 4.882 6.498 65 2HD LYS 10 2HD LYS 10 -1.926 5.250 5.703 66 1HE LYS 10 1HE LYS 10 -3.148 5.978 3.676 67 2HE LYS 10 2HE LYS 10 -4.662 5.332 4.322 68 1HZ LYS 10 1HZ LYS 10 -4.529 6.960 6.048 69 2HZ LYS 10 2HZ LYS 10 -3.107 7.541 5.448 70 3HZ LYS 10 3HZ LYS 10 -4.492 7.676 4.563 71 H TYR 11 H TYR 11 -1.465 1.544 1.645 72 HA TYR 11 HA TYR 11 1.342 1.852 0.841 73 1HB TYR 11 1HB TYR 11 1.004 -0.565 0.148 74 2HB TYR 11 2HB TYR 11 1.119 -0.144 1.855 75 HD1 TYR 11 HD1 TYR 11 -1.135 -1.463 -0.773 76 HD2 TYR 11 HD2 TYR 11 -0.679 -0.460 3.399 77 HE1 TYR 11 HE1 TYR 11 -2.994 -2.992 -0.194 78 HE2 TYR 11 HE2 TYR 11 -2.499 -2.027 3.971 79 HH TYR 11 HH TYR 11 -4.366 -3.795 1.478 80 H LEU 12 H LEU 12 0.237 3.626 -0.289 81 HA LEU 12 HA LEU 12 -0.073 2.944 -3.110 82 1HB LEU 12 1HB LEU 12 -2.311 3.164 -2.299 83 2HB LEU 12 2HB LEU 12 -1.936 4.646 -1.429 84 HG LEU 12 HG LEU 12 -3.342 4.845 -3.469 85 1HD1 LEU 12 1HD1 LEU 12 -0.849 6.568 -3.665 86 2HD1 LEU 12 2HD1 LEU 12 -2.487 6.934 -4.205 87 3HD1 LEU 12 3HD1 LEU 12 -2.149 6.788 -2.473 88 1HD2 LEU 12 1HD2 LEU 12 -0.751 4.439 -5.028 89 2HD2 LEU 12 2HD2 LEU 12 -2.058 3.248 -4.904 90 3HD2 LEU 12 3HD2 LEU 12 -2.354 4.812 -5.685 91 H ASP 13 H ASP 13 0.291 5.337 -0.537 92 HA ASP 13 HA ASP 13 1.269 7.607 -1.572 93 1HB ASP 13 1HB ASP 13 0.717 7.189 0.744 94 2HB ASP 13 2HB ASP 13 2.115 6.133 0.929 95 H SER 14 H SER 14 3.871 5.969 -0.010 96 HA SER 14 HA SER 14 5.568 6.014 -2.437 97 1HB SER 14 1HB SER 14 7.182 7.582 -1.421 98 2HB SER 14 2HB SER 14 5.613 8.331 -1.754 99 HG SER 14 HG SER 14 5.094 8.084 0.448 100 H ARG 15 H ARG 15 6.876 6.291 0.821 101 HA ARG 15 HA ARG 15 8.645 4.153 0.475 102 1HB ARG 15 1HB ARG 15 8.864 5.994 2.109 103 2HB ARG 15 2HB ARG 15 7.602 5.288 3.114 104 1HG ARG 15 1HG ARG 15 10.271 3.967 2.410 105 2HG ARG 15 2HG ARG 15 9.914 4.863 3.890 106 1HD ARG 15 1HD ARG 15 8.051 3.155 4.345 107 2HD ARG 15 2HD ARG 15 8.784 2.172 3.056 108 HE ARG 15 HE ARG 15 10.841 2.907 4.817 109 1HH1 ARG 15 1HH1 ARG 15 7.916 0.880 4.781 110 2HH1 ARG 15 2HH1 ARG 15 8.559 -0.264 5.934 111 1HH2 ARG 15 1HH2 ARG 15 11.653 1.388 6.318 112 2HH2 ARG 15 2HH2 ARG 15 10.676 0.023 6.806 113 H ARG 16 H ARG 16 5.784 4.183 2.638 114 HA ARG 16 HA ARG 16 5.763 1.447 3.219 115 1HB ARG 16 1HB ARG 16 3.425 1.825 3.948 116 2HB ARG 16 2HB ARG 16 4.601 2.970 4.607 117 1HG ARG 16 1HG ARG 16 3.885 4.703 3.021 118 2HG ARG 16 2HG ARG 16 2.788 3.557 2.233 119 1HD ARG 16 1HD ARG 16 1.473 3.364 4.292 120 2HD ARG 16 2HD ARG 16 2.639 4.379 5.164 121 HE ARG 16 HE ARG 16 1.323 5.501 2.767 122 1HH1 ARG 16 1HH1 ARG 16 1.298 5.379 6.335 123 2HH1 ARG 16 2HH1 ARG 16 0.336 6.830 6.471 124 1HH2 ARG 16 1HH2 ARG 16 0.110 7.395 3.000 125 2HH2 ARG 16 2HH2 ARG 16 -0.346 7.965 4.589 126 H ALA 17 H ALA 17 4.645 3.039 0.270 127 HA ALA 17 HA ALA 17 2.830 0.904 -0.521 128 1HB ALA 17 1HB ALA 17 2.616 3.299 -1.202 129 2HB ALA 17 2HB ALA 17 4.070 3.137 -2.180 130 3HB ALA 17 3HB ALA 17 2.641 2.163 -2.576 131 H GLN 18 H GLN 18 6.046 2.036 -1.598 132 HA GLN 18 HA GLN 18 6.661 -0.146 -3.317 133 1HB GLN 18 1HB GLN 18 8.225 1.933 -1.752 134 2HB GLN 18 2HB GLN 18 9.082 0.657 -2.609 135 1HG GLN 18 1HG GLN 18 8.622 2.984 -3.759 136 2HG GLN 18 2HG GLN 18 8.634 1.463 -4.659 137 1HE2 GLN 18 2HE2 GLN 18 6.372 3.868 -3.171 138 2HE2 GLN 18 1HE2 GLN 18 5.093 3.544 -4.319 139 H ASP 19 H ASP 19 7.317 0.351 0.167 140 HA ASP 19 HA ASP 19 8.777 -2.029 0.623 141 1HB ASP 19 1HB ASP 19 8.687 -0.147 2.194 142 2HB ASP 19 2HB ASP 19 6.966 -0.443 2.486 143 H PHE 20 H PHE 20 5.250 -1.341 0.936 144 HA PHE 20 HA PHE 20 4.419 -3.932 1.665 145 1HB PHE 20 1HB PHE 20 3.029 -1.952 1.844 146 2HB PHE 20 2HB PHE 20 2.982 -1.784 0.088 147 HD1 PHE 20 HD1 PHE 20 1.651 -3.537 3.018 148 HD2 PHE 20 HD2 PHE 20 1.672 -3.383 -1.288 149 HE1 PHE 20 HE1 PHE 20 -0.392 -4.951 2.956 150 HE2 PHE 20 HE2 PHE 20 -0.339 -4.846 -1.349 151 HZ PHE 20 HZ PHE 20 -1.379 -5.616 0.774 152 H VAL 21 H VAL 21 5.106 -2.528 -1.601 153 HA VAL 21 HA VAL 21 4.052 -4.822 -2.987 154 HB VAL 21 HB VAL 21 5.885 -2.550 -3.822 155 1HG1 VAL 21 1HG1 VAL 21 6.587 -4.435 -5.202 156 2HG1 VAL 21 2HG1 VAL 21 4.891 -4.871 -5.522 157 3HG1 VAL 21 3HG1 VAL 21 5.570 -3.361 -6.166 158 1HG2 VAL 21 1HG2 VAL 21 3.941 -1.859 -5.121 159 2HG2 VAL 21 2HG2 VAL 21 3.067 -3.342 -4.688 160 3HG2 VAL 21 3HG2 VAL 21 3.411 -2.124 -3.452 161 H GLN 22 H GLN 22 7.393 -3.963 -1.979 162 HA GLN 22 HA GLN 22 8.662 -6.309 -2.968 163 1HB GLN 22 1HB GLN 22 9.256 -4.678 -0.461 164 2HB GLN 22 2HB GLN 22 10.354 -5.858 -1.185 165 1HG GLN 22 1HG GLN 22 9.328 -3.383 -2.622 166 2HG GLN 22 2HG GLN 22 10.838 -3.476 -1.713 167 1HE2 GLN 22 2HE2 GLN 22 9.107 -4.567 -4.625 168 2HE2 GLN 22 1HE2 GLN 22 10.518 -5.170 -5.470 169 H TRP 23 H TRP 23 6.731 -5.726 -0.051 170 HA TRP 23 HA TRP 23 7.536 -8.145 1.322 171 1HB TRP 23 1HB TRP 23 6.712 -6.379 2.662 172 2HB TRP 23 2HB TRP 23 5.321 -6.109 1.621 173 HD1 TRP 23 HD1 TRP 23 6.619 -8.818 3.939 174 HE1 TRP 23 HE1 TRP 23 4.568 -10.099 4.987 175 HE3 TRP 23 HE3 TRP 23 2.957 -6.673 1.252 176 HZ2 TRP 23 HZ2 TRP 23 1.750 -10.225 4.532 177 HZ3 TRP 23 HZ3 TRP 23 0.585 -7.488 1.420 178 HH2 TRP 23 HH2 TRP 23 -0.012 -9.228 3.093 179 H LEU 24 H LEU 24 4.563 -7.139 -0.346 180 HA LEU 24 HA LEU 24 3.110 -9.472 -0.453 181 1HB LEU 24 1HB LEU 24 2.411 -7.214 -1.126 182 2HB LEU 24 2HB LEU 24 3.420 -7.286 -2.563 183 HG LEU 24 HG LEU 24 0.946 -7.583 -2.849 184 1HD1 LEU 24 1HD1 LEU 24 2.481 -9.953 -3.962 185 2HD1 LEU 24 2HD1 LEU 24 1.048 -9.161 -4.615 186 3HD1 LEU 24 3HD1 LEU 24 2.591 -8.292 -4.583 187 1HD2 LEU 24 1HD2 LEU 24 -0.132 -9.690 -2.379 188 2HD2 LEU 24 2HD2 LEU 24 1.361 -10.378 -1.719 189 3HD2 LEU 24 3HD2 LEU 24 0.547 -9.039 -0.875 190 H MET 25 H MET 25 5.757 -8.408 -2.562 191 HA MET 25 HA MET 25 5.621 -10.563 -4.466 192 1HB MET 25 1HB MET 25 7.736 -8.551 -3.664 193 2HB MET 25 2HB MET 25 8.102 -9.845 -4.810 194 1HG MET 25 1HG MET 25 6.410 -9.118 -6.342 195 2HG MET 25 2HG MET 25 5.764 -7.940 -5.196 196 1HE MET 25 1HE MET 25 5.803 -6.293 -7.300 197 2HE MET 25 2HE MET 25 7.290 -5.804 -8.145 198 3HE MET 25 3HE MET 25 6.663 -7.458 -8.332 199 H ASN 26 H ASN 26 7.876 -9.974 -1.713 200 HA ASN 26 HA ASN 26 9.322 -12.364 -1.902 201 1HB ASN 26 1HB ASN 26 8.656 -10.672 0.545 202 2HB ASN 26 2HB ASN 26 9.879 -11.951 0.507 203 1HD2 ASN 26 2HD2 ASN 26 10.682 -9.463 1.275 204 2HD2 ASN 26 1HD2 ASN 26 11.661 -8.731 0.020 205 H THR 27 H THR 27 6.314 -11.702 -0.078 206 HA THR 27 HA THR 27 6.180 -14.318 1.124 207 HB THR 27 HB THR 27 3.858 -13.616 1.695 208 HG1 THR 27 HG1 THR 27 4.575 -11.192 0.401 209 1HG2 THR 27 1HG2 THR 27 5.801 -13.040 3.133 210 2HG2 THR 27 2HG2 THR 27 6.002 -11.511 2.258 211 3HG2 THR 27 3HG2 THR 27 4.522 -11.811 3.191 212 1HN NH2 28 1H NH2 28 4.412 -12.808 -1.663 213 2HN NH2 28 2H NH2 28 3.971 -14.339 -2.391 Start of MODEL 13 1 1H SER 1 1H SER 1 -9.378 5.676 10.799 2 2H SER 1 2H SER 1 -8.170 4.855 10.031 3 3H SER 1 3H SER 1 -8.090 6.496 10.177 4 HA SER 1 HA SER 1 -8.668 5.895 7.982 5 1HB SER 1 1HB SER 1 -10.828 4.773 7.532 6 2HB SER 1 2HB SER 1 -9.725 3.742 8.460 7 HG SER 1 HG SER 1 -10.875 4.365 10.342 8 H GLN 2 H GLN 2 -10.062 7.211 6.691 9 HA GLN 2 HA GLN 2 -12.065 8.914 7.907 10 1HB GLN 2 1HB GLN 2 -10.935 11.038 7.386 11 2HB GLN 2 2HB GLN 2 -10.076 10.120 8.627 12 1HG GLN 2 1HG GLN 2 -8.463 9.317 6.852 13 2HG GLN 2 2HG GLN 2 -9.306 10.343 5.680 14 1HE2 GLN 2 2HE2 GLN 2 -7.686 10.514 8.902 15 2HE2 GLN 2 1HE2 GLN 2 -6.996 12.103 8.640 16 H GLY 3 H GLY 3 -13.486 9.658 6.359 17 1HA GLY 3 1HA GLY 3 -14.504 9.855 4.331 18 2HA GLY 3 2HA GLY 3 -12.901 10.018 3.601 19 H THR 4 H THR 4 -12.216 8.360 2.317 20 HA THR 4 HA THR 4 -13.136 5.626 2.514 21 HB THR 4 HB THR 4 -14.109 7.338 0.182 22 HG1 THR 4 HG1 THR 4 -16.144 6.689 0.932 23 1HG2 THR 4 1HG2 THR 4 -14.369 4.342 0.704 24 2HG2 THR 4 2HG2 THR 4 -15.188 5.237 -0.593 25 3HG2 THR 4 3HG2 THR 4 -13.426 5.093 -0.603 26 H THR 5 H THR 5 -12.058 7.952 0.163 27 HA THR 5 HA THR 5 -10.335 6.224 -1.263 28 HB THR 5 HB THR 5 -9.476 8.350 -2.312 29 HG1 THR 5 HG1 THR 5 -10.517 10.264 -1.635 30 1HG2 THR 5 1HG2 THR 5 -11.514 7.214 -3.172 31 2HG2 THR 5 2HG2 THR 5 -12.517 8.175 -2.063 32 3HG2 THR 5 3HG2 THR 5 -11.603 8.974 -3.356 33 H SER 6 H SER 6 -9.668 8.581 1.305 34 HA SER 6 HA SER 6 -6.933 8.688 1.343 35 1HB SER 6 1HB SER 6 -8.711 8.536 3.795 36 2HB SER 6 2HB SER 6 -7.143 9.349 3.658 37 HG SER 6 HG SER 6 -8.120 10.717 2.074 38 H GLU 7 H GLU 7 -8.970 5.978 2.472 39 HA GLU 7 HA GLU 7 -7.077 4.711 4.123 40 1HB GLU 7 1HB GLU 7 -9.462 3.679 2.562 41 2HB GLU 7 2HB GLU 7 -8.409 2.592 3.465 42 1HG GLU 7 1HG GLU 7 -10.341 3.224 4.811 43 2HG GLU 7 2HG GLU 7 -8.819 3.730 5.550 44 H TYR 8 H TYR 8 -7.838 4.063 0.632 45 HA TYR 8 HA TYR 8 -5.629 2.238 0.412 46 1HB TYR 8 1HB TYR 8 -6.128 2.080 -1.914 47 2HB TYR 8 2HB TYR 8 -7.595 1.957 -0.959 48 HD1 TYR 8 HD1 TYR 8 -5.558 4.398 -2.998 49 HD2 TYR 8 HD2 TYR 8 -9.469 3.223 -1.616 50 HE1 TYR 8 HE1 TYR 8 -6.588 6.106 -4.458 51 HE2 TYR 8 HE2 TYR 8 -10.500 4.775 -3.251 52 HH TYR 8 HH TYR 8 -8.547 7.015 -5.250 53 H SER 9 H SER 9 -5.989 5.692 -0.089 54 HA SER 9 HA SER 9 -3.962 6.275 -1.841 55 1HB SER 9 1HB SER 9 -4.786 7.880 0.591 56 2HB SER 9 2HB SER 9 -3.846 8.484 -0.783 57 HG SER 9 HG SER 9 -6.456 7.373 -0.935 58 H LYS 10 H LYS 10 -3.560 5.348 1.588 59 HA LYS 10 HA LYS 10 -0.892 6.249 1.914 60 1HB LYS 10 1HB LYS 10 -2.309 3.949 3.298 61 2HB LYS 10 2HB LYS 10 -0.919 4.858 3.895 62 1HG LYS 10 1HG LYS 10 -3.773 5.879 3.566 63 2HG LYS 10 2HG LYS 10 -2.907 5.513 5.043 64 1HD LYS 10 1HD LYS 10 -2.809 7.778 5.016 65 2HD LYS 10 2HD LYS 10 -1.228 7.361 4.354 66 1HE LYS 10 1HE LYS 10 -2.014 8.024 2.081 67 2HE LYS 10 2HE LYS 10 -3.670 8.145 2.676 68 1HZ LYS 10 1HZ LYS 10 -1.404 9.799 3.512 69 2HZ LYS 10 2HZ LYS 10 -2.607 10.245 2.476 70 3HZ LYS 10 3HZ LYS 10 -2.954 9.943 4.060 71 H TYR 11 H TYR 11 -2.119 2.911 1.176 72 HA TYR 11 HA TYR 11 0.628 2.014 0.747 73 1HB TYR 11 1HB TYR 11 -0.428 -0.144 0.278 74 2HB TYR 11 2HB TYR 11 -0.796 0.547 1.856 75 HD1 TYR 11 HD1 TYR 11 -2.250 0.192 -1.612 76 HD2 TYR 11 HD2 TYR 11 -3.013 0.566 2.620 77 HE1 TYR 11 HE1 TYR 11 -4.622 -0.392 -1.983 78 HE2 TYR 11 HE2 TYR 11 -5.362 -0.099 2.253 79 HH TYR 11 HH TYR 11 -6.954 -0.740 0.715 80 H LEU 12 H LEU 12 -1.334 3.896 -1.066 81 HA LEU 12 HA LEU 12 -0.443 2.844 -3.652 82 1HB LEU 12 1HB LEU 12 -2.771 3.313 -3.496 83 2HB LEU 12 2HB LEU 12 -2.471 4.859 -2.707 84 HG LEU 12 HG LEU 12 -1.600 5.836 -4.744 85 1HD1 LEU 12 1HD2 LEU 12 -0.691 3.745 -5.860 86 2HD1 LEU 12 2HD2 LEU 12 -2.351 3.156 -6.051 87 3HD1 LEU 12 3HD2 LEU 12 -1.814 4.610 -6.917 88 1HD2 LEU 12 1HD1 LEU 12 -4.289 4.480 -5.138 89 2HD2 LEU 12 2HD1 LEU 12 -3.986 6.002 -4.266 90 3HD2 LEU 12 3HD1 LEU 12 -3.700 5.910 -6.011 91 H ASP 13 H ASP 13 0.477 5.080 -1.167 92 HA ASP 13 HA ASP 13 1.467 7.183 -2.854 93 1HB ASP 13 1HB ASP 13 0.500 7.467 -0.586 94 2HB ASP 13 2HB ASP 13 1.920 6.682 0.100 95 H SER 14 H SER 14 3.875 6.918 -0.598 96 HA SER 14 HA SER 14 5.788 6.120 -2.721 97 1HB SER 14 1HB SER 14 6.094 7.958 -0.322 98 2HB SER 14 2HB SER 14 7.331 7.614 -1.558 99 HG SER 14 HG SER 14 4.775 8.762 -2.001 100 H ARG 15 H ARG 15 7.258 6.385 0.324 101 HA ARG 15 HA ARG 15 8.601 4.052 0.130 102 1HB ARG 15 1HB ARG 15 9.271 5.850 1.590 103 2HB ARG 15 2HB ARG 15 7.856 5.618 2.623 104 1HG ARG 15 1HG ARG 15 9.878 4.725 3.653 105 2HG ARG 15 2HG ARG 15 8.699 3.443 3.382 106 1HD ARG 15 1HD ARG 15 9.942 2.686 1.382 107 2HD ARG 15 2HD ARG 15 11.094 4.012 1.568 108 HE ARG 15 HE ARG 15 10.939 1.491 3.026 109 1HH1 ARG 15 1HH1 ARG 15 12.186 4.825 3.221 110 2HH1 ARG 15 2HH1 ARG 15 13.428 4.402 4.376 111 1HH2 ARG 15 1HH2 ARG 15 12.564 0.987 4.533 112 2HH2 ARG 15 2HH2 ARG 15 13.640 2.234 5.122 113 H ARG 16 H ARG 16 5.690 4.462 2.227 114 HA ARG 16 HA ARG 16 5.647 1.836 3.222 115 1HB ARG 16 1HB ARG 16 3.329 2.266 3.836 116 2HB ARG 16 2HB ARG 16 4.390 3.627 4.205 117 1HG ARG 16 1HG ARG 16 3.591 4.695 2.018 118 2HG ARG 16 2HG ARG 16 2.378 3.405 1.935 119 1HD ARG 16 1HD ARG 16 1.229 4.191 3.819 120 2HD ARG 16 2HD ARG 16 2.633 5.069 4.445 121 HE ARG 16 HE ARG 16 1.374 5.913 1.900 122 1HH1 ARG 16 1HH1 ARG 16 2.003 6.731 5.327 123 2HH1 ARG 16 2HH1 ARG 16 1.587 8.409 5.091 124 1HH2 ARG 16 1HH2 ARG 16 0.861 8.101 1.663 125 2HH2 ARG 16 2HH2 ARG 16 0.933 9.182 3.035 126 H ALA 17 H ALA 17 4.074 3.158 0.267 127 HA ALA 17 HA ALA 17 2.790 0.799 -0.578 128 1HB ALA 17 1HB ALA 17 2.704 1.839 -2.762 129 2HB ALA 17 2HB ALA 17 2.395 3.064 -1.510 130 3HB ALA 17 3HB ALA 17 3.963 2.994 -2.327 131 H GLN 18 H GLN 18 6.124 2.019 -1.327 132 HA GLN 18 HA GLN 18 6.810 -0.135 -3.044 133 1HB GLN 18 1HB GLN 18 8.795 1.306 -1.236 134 2HB GLN 18 2HB GLN 18 9.093 0.472 -2.760 135 1HG GLN 18 1HG GLN 18 7.923 3.190 -2.271 136 2HG GLN 18 2HG GLN 18 9.224 2.708 -3.341 137 1HE2 GLN 18 2HE2 GLN 18 5.920 3.518 -3.166 138 2HE2 GLN 18 1HE2 GLN 18 5.455 3.017 -4.782 139 H ASP 19 H ASP 19 7.210 0.248 0.485 140 HA ASP 19 HA ASP 19 8.643 -2.139 0.990 141 1HB ASP 19 1HB ASP 19 8.445 -0.329 2.619 142 2HB ASP 19 2HB ASP 19 6.701 -0.581 2.748 143 H PHE 20 H PHE 20 5.110 -1.464 1.053 144 HA PHE 20 HA PHE 20 4.280 -4.117 1.619 145 1HB PHE 20 1HB PHE 20 2.844 -1.931 0.086 146 2HB PHE 20 2HB PHE 20 2.088 -3.367 0.773 147 HD1 PHE 20 HD1 PHE 20 1.657 -0.242 1.234 148 HD2 PHE 20 HD2 PHE 20 3.511 -3.394 3.526 149 HE1 PHE 20 HE1 PHE 20 1.171 0.985 3.331 150 HE2 PHE 20 HE2 PHE 20 3.079 -2.137 5.595 151 HZ PHE 20 HZ PHE 20 1.904 0.051 5.514 152 H VAL 21 H VAL 21 5.123 -2.567 -1.527 153 HA VAL 21 HA VAL 21 4.107 -4.812 -3.035 154 HB VAL 21 HB VAL 21 5.996 -2.534 -3.718 155 1HG1 VAL 21 1HG2 VAL 21 5.068 -4.800 -5.535 156 2HG1 VAL 21 2HG2 VAL 21 5.793 -3.280 -6.097 157 3HG1 VAL 21 3HG2 VAL 21 6.748 -4.394 -5.116 158 1HG2 VAL 21 1HG1 VAL 21 4.126 -1.786 -5.096 159 2HG2 VAL 21 2HG1 VAL 21 3.218 -3.272 -4.749 160 3HG2 VAL 21 3HG1 VAL 21 3.509 -2.092 -3.465 161 H GLN 22 H GLN 22 7.429 -3.937 -1.997 162 HA GLN 22 HA GLN 22 8.774 -6.217 -2.953 163 1HB GLN 22 1HB GLN 22 9.186 -4.609 -0.392 164 2HB GLN 22 2HB GLN 22 10.351 -5.775 -1.028 165 1HG GLN 22 1HG GLN 22 9.361 -3.342 -2.561 166 2HG GLN 22 2HG GLN 22 10.821 -3.377 -1.568 167 1HE2 GLN 22 2HE2 GLN 22 12.427 -5.214 -2.168 168 2HE2 GLN 22 1HE2 GLN 22 12.633 -5.536 -3.878 169 H TRP 23 H TRP 23 6.753 -5.774 -0.068 170 HA TRP 23 HA TRP 23 7.605 -8.213 1.253 171 1HB TRP 23 1HB TRP 23 6.780 -6.506 2.667 172 2HB TRP 23 2HB TRP 23 5.390 -6.193 1.629 173 HD1 TRP 23 HD1 TRP 23 6.678 -9.067 3.776 174 HE1 TRP 23 HE1 TRP 23 4.621 -10.401 4.733 175 HE3 TRP 23 HE3 TRP 23 3.014 -6.679 1.293 176 HZ2 TRP 23 HZ2 TRP 23 1.793 -10.422 4.341 177 HZ3 TRP 23 HZ3 TRP 23 0.619 -7.389 1.515 178 HH2 TRP 23 HH2 TRP 23 0.020 -9.258 3.048 179 H LEU 24 H LEU 24 4.622 -7.164 -0.397 180 HA LEU 24 HA LEU 24 3.159 -9.502 -0.410 181 1HB LEU 24 1HB LEU 24 2.351 -7.285 -1.074 182 2HB LEU 24 2HB LEU 24 3.392 -7.306 -2.500 183 HG LEU 24 HG LEU 24 2.087 -9.206 -3.438 184 1HD1 LEU 24 1HD1 LEU 24 1.280 -10.304 -1.392 185 2HD1 LEU 24 2HD1 LEU 24 0.364 -8.848 -0.940 186 3HD1 LEU 24 3HD1 LEU 24 -0.100 -9.795 -2.369 187 1HD2 LEU 24 1HD2 LEU 24 1.483 -6.874 -3.968 188 2HD2 LEU 24 2HD2 LEU 24 0.052 -7.921 -3.936 189 3HD2 LEU 24 3HD2 LEU 24 0.385 -6.833 -2.571 190 H MET 25 H MET 25 5.660 -8.405 -2.662 191 HA MET 25 HA MET 25 5.453 -10.592 -4.536 192 1HB MET 25 1HB MET 25 7.649 -8.574 -3.924 193 2HB MET 25 2HB MET 25 7.802 -9.800 -5.187 194 1HG MET 25 1HG MET 25 5.519 -7.790 -5.093 195 2HG MET 25 2HG MET 25 7.022 -7.551 -5.990 196 1HE MET 25 1HE MET 25 4.342 -8.115 -8.779 197 2HE MET 25 2HE MET 25 4.093 -7.311 -7.212 198 3HE MET 25 3HE MET 25 5.591 -7.026 -8.132 199 H ASN 26 H ASN 26 7.689 -9.918 -1.794 200 HA ASN 26 HA ASN 26 9.268 -12.218 -2.073 201 1HB ASN 26 1HB ASN 26 9.904 -10.267 -0.733 202 2HB ASN 26 2HB ASN 26 8.606 -10.603 0.424 203 1HD2 ASN 26 2HD2 ASN 26 11.491 -12.140 -1.109 204 2HD2 ASN 26 1HD2 ASN 26 11.965 -13.048 0.310 205 H THR 27 H THR 27 6.403 -11.714 0.073 206 HA THR 27 HA THR 27 6.502 -14.387 1.110 207 HB THR 27 HB THR 27 5.548 -12.369 2.242 208 HG1 THR 27 HG1 THR 27 3.950 -14.695 2.042 209 1HG2 THR 27 1HG2 THR 27 4.080 -11.547 0.378 210 2HG2 THR 27 2HG2 THR 27 3.017 -12.943 0.649 211 3HG2 THR 27 3HG2 THR 27 3.248 -11.744 1.928 212 1HN NH2 28 1H NH2 28 4.673 -12.823 -1.572 213 2HN NH2 28 2H NH2 28 3.981 -14.315 -2.162 Start of MODEL 14 1 1H SER 1 1H SER 1 -8.236 9.407 -12.520 2 2H SER 1 2H SER 1 -8.760 8.084 -13.355 3 3H SER 1 3H SER 1 -9.356 8.400 -11.848 4 HA SER 1 HA SER 1 -7.827 6.621 -11.755 5 1HB SER 1 1HB SER 1 -5.836 8.638 -12.874 6 2HB SER 1 2HB SER 1 -5.450 6.995 -12.322 7 HG SER 1 HG SER 1 -6.891 6.217 -13.926 8 H GLN 2 H GLN 2 -6.572 6.268 -9.910 9 HA GLN 2 HA GLN 2 -6.299 6.503 -7.699 10 1HB GLN 2 1HB GLN 2 -4.478 8.103 -7.097 11 2HB GLN 2 2HB GLN 2 -4.151 6.947 -8.386 12 1HG GLN 2 1HG GLN 2 -4.371 8.647 -10.104 13 2HG GLN 2 2HG GLN 2 -4.863 9.860 -8.914 14 1HE2 GLN 2 2HE2 GLN 2 -3.123 11.267 -9.357 15 2HE2 GLN 2 1HE2 GLN 2 -1.472 10.865 -8.937 16 H GLY 3 H GLY 3 -5.769 9.816 -7.164 17 1HA GLY 3 1HA GLY 3 -8.531 10.633 -6.843 18 2HA GLY 3 2HA GLY 3 -7.728 10.224 -5.310 19 H THR 4 H THR 4 -7.764 12.413 -4.614 20 HA THR 4 HA THR 4 -6.266 14.445 -6.142 21 HB THR 4 HB THR 4 -8.386 15.030 -5.047 22 HG1 THR 4 HG1 THR 4 -7.572 16.908 -4.100 23 1HG2 THR 4 1HG2 THR 4 -8.479 15.336 -2.598 24 2HG2 THR 4 2HG2 THR 4 -8.308 13.628 -3.019 25 3HG2 THR 4 3HG2 THR 4 -6.906 14.543 -2.421 26 H THR 5 H THR 5 -4.856 15.846 -4.495 27 HA THR 5 HA THR 5 -2.451 14.492 -4.176 28 HB THR 5 HB THR 5 -2.552 16.870 -4.403 29 HG1 THR 5 HG1 THR 5 -0.803 15.855 -3.234 30 1HG2 THR 5 1HG2 THR 5 -3.204 18.396 -2.641 31 2HG2 THR 5 2HG2 THR 5 -4.595 17.371 -3.023 32 3HG2 THR 5 3HG2 THR 5 -3.634 17.070 -1.556 33 H SER 6 H SER 6 -4.884 15.174 -1.628 34 HA SER 6 HA SER 6 -3.577 14.152 0.587 35 1HB SER 6 1HB SER 6 -6.537 13.861 -0.072 36 2HB SER 6 2HB SER 6 -5.798 13.885 1.540 37 HG SER 6 HG SER 6 -5.086 16.024 1.062 38 H GLU 7 H GLU 7 -5.022 12.349 -2.099 39 HA GLU 7 HA GLU 7 -4.927 9.789 -0.651 40 1HB GLU 7 1HB GLU 7 -5.758 10.337 -3.526 41 2HB GLU 7 2HB GLU 7 -6.052 8.887 -2.563 42 1HG GLU 7 1HG GLU 7 -7.245 11.660 -2.138 43 2HG GLU 7 2HG GLU 7 -8.081 10.209 -2.690 44 H TYR 8 H TYR 8 -3.625 11.069 -3.797 45 HA TYR 8 HA TYR 8 -2.019 8.725 -4.058 46 1HB TYR 8 1HB TYR 8 -1.223 9.560 -6.099 47 2HB TYR 8 2HB TYR 8 -2.949 9.868 -5.979 48 HD1 TYR 8 HD1 TYR 8 0.445 11.476 -5.711 49 HD2 TYR 8 HD2 TYR 8 -3.766 12.040 -6.389 50 HE1 TYR 8 HE1 TYR 8 0.866 13.826 -6.351 51 HE2 TYR 8 HE2 TYR 8 -3.339 14.376 -7.116 52 HH TYR 8 HH TYR 8 -0.058 15.815 -7.056 53 H SER 9 H SER 9 -1.246 11.991 -2.880 54 HA SER 9 HA SER 9 1.518 11.856 -3.282 55 1HB SER 9 1HB SER 9 0.122 13.443 -1.123 56 2HB SER 9 2HB SER 9 1.738 13.711 -1.793 57 HG SER 9 HG SER 9 -0.728 13.852 -3.170 58 H LYS 10 H LYS 10 -0.389 10.153 -0.896 59 HA LYS 10 HA LYS 10 1.542 10.000 1.206 60 1HB LYS 10 1HB LYS 10 -0.664 8.017 0.554 61 2HB LYS 10 2HB LYS 10 0.108 8.310 2.113 62 1HG LYS 10 1HG LYS 10 -1.821 10.125 0.593 63 2HG LYS 10 2HG LYS 10 -2.100 9.240 2.079 64 1HD LYS 10 1HD LYS 10 -1.856 11.366 2.844 65 2HD LYS 10 2HD LYS 10 -0.235 10.725 3.133 66 1HE LYS 10 1HE LYS 10 0.657 12.023 1.276 67 2HE LYS 10 2HE LYS 10 -0.966 12.295 0.612 68 1HZ LYS 10 1HZ LYS 10 -1.434 13.649 2.503 69 2HZ LYS 10 2HZ LYS 10 0.070 13.378 3.125 70 3HZ LYS 10 3HZ LYS 10 -0.100 14.200 1.705 71 H TYR 11 H TYR 11 0.576 7.613 -1.346 72 HA TYR 11 HA TYR 11 2.688 5.801 -0.548 73 1HB TYR 11 1HB TYR 11 1.972 4.549 -2.541 74 2HB TYR 11 2HB TYR 11 0.748 4.822 -1.300 75 HD1 TYR 11 HD1 TYR 11 1.948 6.085 -4.652 76 HD2 TYR 11 HD2 TYR 11 -1.385 5.564 -1.960 77 HE1 TYR 11 HE1 TYR 11 0.386 6.733 -6.456 78 HE2 TYR 11 HE2 TYR 11 -2.947 6.069 -3.809 79 HH TYR 11 HH TYR 11 -1.836 7.093 -7.051 80 H LEU 12 H LEU 12 2.266 8.351 -2.925 81 HA LEU 12 HA LEU 12 4.585 7.895 -4.456 82 1HB LEU 12 1HB LEU 12 2.812 9.341 -5.202 83 2HB LEU 12 2HB LEU 12 2.950 10.324 -3.742 84 HG LEU 12 HG LEU 12 5.077 11.233 -4.439 85 1HD1 LEU 12 1HD2 LEU 12 5.928 10.806 -6.756 86 2HD1 LEU 12 2HD2 LEU 12 5.953 9.313 -5.810 87 3HD1 LEU 12 3HD2 LEU 12 4.662 9.584 -6.996 88 1HD2 LEU 12 1HD1 LEU 12 3.017 12.375 -5.103 89 2HD2 LEU 12 2HD1 LEU 12 4.264 12.568 -6.345 90 3HD2 LEU 12 3HD1 LEU 12 2.937 11.414 -6.596 91 H ASP 13 H ASP 13 4.070 9.432 -1.286 92 HA ASP 13 HA ASP 13 6.169 11.115 -1.100 93 1HB ASP 13 1HB ASP 13 4.341 10.886 0.576 94 2HB ASP 13 2HB ASP 13 5.086 9.395 1.156 95 H SER 14 H SER 14 6.372 7.911 0.242 96 HA SER 14 HA SER 14 9.375 8.031 0.068 97 1HB SER 14 1HB SER 14 7.679 7.327 2.498 98 2HB SER 14 2HB SER 14 9.426 7.013 2.354 99 HG SER 14 HG SER 14 8.137 9.533 2.197 100 H ARG 15 H ARG 15 7.744 5.431 1.745 101 HA ARG 15 HA ARG 15 7.758 3.672 -0.533 102 1HB ARG 15 1HB ARG 15 9.586 2.185 0.398 103 2HB ARG 15 2HB ARG 15 10.111 3.715 -0.278 104 1HG ARG 15 1HG ARG 15 11.365 3.248 1.698 105 2HG ARG 15 2HG ARG 15 10.381 4.685 1.978 106 1HD ARG 15 1HD ARG 15 8.804 3.372 3.334 107 2HD ARG 15 2HD ARG 15 9.669 1.871 2.912 108 HE ARG 15 HE ARG 15 11.474 3.722 4.107 109 1HH1 ARG 15 1HH1 ARG 15 8.729 1.627 4.966 110 2HH1 ARG 15 2HH1 ARG 15 9.257 1.423 6.620 111 1HH2 ARG 15 1HH2 ARG 15 12.136 3.435 6.276 112 2HH2 ARG 15 2HH2 ARG 15 11.186 2.447 7.363 113 H ARG 16 H ARG 16 5.859 4.532 1.552 114 HA ARG 16 HA ARG 16 5.386 2.328 3.314 115 1HB ARG 16 1HB ARG 16 3.137 3.189 3.514 116 2HB ARG 16 2HB ARG 16 4.377 4.446 3.661 117 1HG ARG 16 1HG ARG 16 3.880 5.021 1.199 118 2HG ARG 16 2HG ARG 16 2.463 3.955 1.366 119 1HD ARG 16 1HD ARG 16 1.659 6.089 1.829 120 2HD ARG 16 2HD ARG 16 1.825 5.338 3.415 121 HE ARG 16 HE ARG 16 3.536 7.441 2.148 122 1HH1 ARG 16 1HH1 ARG 16 2.767 5.667 5.158 123 2HH1 ARG 16 2HH1 ARG 16 3.700 6.767 6.142 124 1HH2 ARG 16 1HH2 ARG 16 4.745 8.803 3.464 125 2HH2 ARG 16 2HH2 ARG 16 4.824 8.530 5.189 126 H ALA 17 H ALA 17 4.051 3.138 0.111 127 HA ALA 17 HA ALA 17 2.703 0.636 -0.312 128 1HB ALA 17 1HB ALA 17 3.533 2.913 -2.139 129 2HB ALA 17 2HB ALA 17 2.479 1.564 -2.628 130 3HB ALA 17 3HB ALA 17 1.960 2.669 -1.334 131 H GLN 18 H GLN 18 5.857 2.006 -1.336 132 HA GLN 18 HA GLN 18 6.593 -0.045 -3.143 133 1HB GLN 18 1HB GLN 18 8.285 1.776 -1.387 134 2HB GLN 18 2HB GLN 18 8.941 0.708 -2.608 135 1HG GLN 18 1HG GLN 18 8.798 3.004 -3.437 136 2HG GLN 18 2HG GLN 18 7.879 1.849 -4.402 137 1HE2 GLN 18 2HE2 GLN 18 7.631 4.829 -2.418 138 2HE2 GLN 18 1HE2 GLN 18 5.932 5.039 -2.734 139 H ASP 19 H ASP 19 7.138 0.291 0.376 140 HA ASP 19 HA ASP 19 8.565 -2.113 0.837 141 1HB ASP 19 1HB ASP 19 8.411 -0.357 2.522 142 2HB ASP 19 2HB ASP 19 6.655 -0.548 2.626 143 H PHE 20 H PHE 20 5.021 -1.403 0.957 144 HA PHE 20 HA PHE 20 4.178 -4.036 1.549 145 1HB PHE 20 1HB PHE 20 2.719 -1.953 -0.099 146 2HB PHE 20 2HB PHE 20 2.002 -3.350 0.693 147 HD1 PHE 20 HD1 PHE 20 0.987 -0.584 1.001 148 HD2 PHE 20 HD2 PHE 20 3.879 -2.776 3.350 149 HE1 PHE 20 HE1 PHE 20 0.585 0.921 2.927 150 HE2 PHE 20 HE2 PHE 20 3.463 -1.278 5.252 151 HZ PHE 20 HZ PHE 20 1.834 0.588 5.051 152 H VAL 21 H VAL 21 5.067 -2.570 -1.614 153 HA VAL 21 HA VAL 21 4.072 -4.849 -3.093 154 HB VAL 21 HB VAL 21 5.941 -2.564 -3.824 155 1HG1 VAL 21 1HG2 VAL 21 6.656 -4.449 -5.210 156 2HG1 VAL 21 2HG2 VAL 21 4.965 -4.846 -5.595 157 3HG1 VAL 21 3HG2 VAL 21 5.693 -3.339 -6.188 158 1HG2 VAL 21 1HG1 VAL 21 3.474 -2.083 -3.535 159 2HG2 VAL 21 2HG1 VAL 21 4.047 -1.837 -5.191 160 3HG2 VAL 21 3HG1 VAL 21 3.134 -3.300 -4.773 161 H GLN 22 H GLN 22 7.378 -3.897 -2.052 162 HA GLN 22 HA GLN 22 8.759 -6.173 -2.972 163 1HB GLN 22 1HB GLN 22 9.129 -4.544 -0.417 164 2HB GLN 22 2HB GLN 22 10.305 -5.713 -1.025 165 1HG GLN 22 1HG GLN 22 9.333 -3.296 -2.592 166 2HG GLN 22 2HG GLN 22 10.783 -3.322 -1.582 167 1HE2 GLN 22 2HE2 GLN 22 12.387 -5.178 -2.143 168 2HE2 GLN 22 1HE2 GLN 22 12.617 -5.511 -3.847 169 H TRP 23 H TRP 23 6.719 -5.718 -0.095 170 HA TRP 23 HA TRP 23 7.591 -8.127 1.256 171 1HB TRP 23 1HB TRP 23 6.716 -6.415 2.636 172 2HB TRP 23 2HB TRP 23 5.330 -6.147 1.580 173 HD1 TRP 23 HD1 TRP 23 6.657 -8.943 3.803 174 HE1 TRP 23 HE1 TRP 23 4.620 -10.310 4.759 175 HE3 TRP 23 HE3 TRP 23 2.976 -6.711 1.208 176 HZ2 TRP 23 HZ2 TRP 23 1.799 -10.414 4.323 177 HZ3 TRP 23 HZ3 TRP 23 0.596 -7.479 1.406 178 HH2 TRP 23 HH2 TRP 23 0.019 -9.328 2.974 179 H LEU 24 H LEU 24 4.613 -7.153 -0.436 180 HA LEU 24 HA LEU 24 3.189 -9.510 -0.472 181 1HB LEU 24 1HB LEU 24 2.366 -7.316 -1.180 182 2HB LEU 24 2HB LEU 24 3.442 -7.335 -2.579 183 HG LEU 24 HG LEU 24 2.192 -9.263 -3.530 184 1HD1 LEU 24 1HD1 LEU 24 1.352 -10.357 -1.495 185 2HD1 LEU 24 2HD1 LEU 24 0.402 -8.912 -1.078 186 3HD1 LEU 24 3HD1 LEU 24 -0.011 -9.879 -2.509 187 1HD2 LEU 24 1HD2 LEU 24 1.562 -6.946 -4.096 188 2HD2 LEU 24 2HD2 LEU 24 0.149 -8.016 -4.089 189 3HD2 LEU 24 3HD2 LEU 24 0.430 -6.911 -2.726 190 H MET 25 H MET 25 5.754 -8.420 -2.662 191 HA MET 25 HA MET 25 5.587 -10.635 -4.509 192 1HB MET 25 1HB MET 25 7.746 -8.573 -3.929 193 2HB MET 25 2HB MET 25 7.921 -9.821 -5.169 194 1HG MET 25 1HG MET 25 5.606 -7.849 -5.114 195 2HG MET 25 2HG MET 25 7.106 -7.603 -6.013 196 1HE MET 25 1HE MET 25 4.176 -7.435 -7.244 197 2HE MET 25 2HE MET 25 5.670 -7.141 -8.166 198 3HE MET 25 3HE MET 25 4.442 -8.264 -8.795 199 H ASN 26 H ASN 26 7.783 -9.927 -1.735 200 HA ASN 26 HA ASN 26 9.345 -12.271 -1.957 201 1HB ASN 26 1HB ASN 26 8.663 -10.570 0.476 202 2HB ASN 26 2HB ASN 26 9.893 -11.840 0.451 203 1HD2 ASN 26 2HD2 ASN 26 10.639 -9.304 1.183 204 2HD2 ASN 26 1HD2 ASN 26 11.632 -8.596 -0.075 205 H THR 27 H THR 27 6.432 -11.680 0.097 206 HA THR 27 HA THR 27 6.487 -14.333 1.188 207 HB THR 27 HB THR 27 5.515 -12.286 2.254 208 HG1 THR 27 HG1 THR 27 3.917 -14.613 2.071 209 1HG2 THR 27 1HG2 THR 27 3.223 -11.667 1.874 210 2HG2 THR 27 2HG2 THR 27 4.094 -11.506 0.341 211 3HG2 THR 27 3HG2 THR 27 3.021 -12.894 0.615 212 1HN NH2 28 1H NH2 28 4.733 -12.822 -1.572 213 2HN NH2 28 2H NH2 28 4.048 -14.324 -2.143 Start of MODEL 15 1 1H SER 1 1H SER 1 -14.813 3.417 1.135 2 2H SER 1 2H SER 1 -14.719 4.964 0.571 3 3H SER 1 3H SER 1 -15.913 3.962 0.030 4 HA SER 1 HA SER 1 -14.338 2.524 -0.987 5 1HB SER 1 1HB SER 1 -14.069 5.437 -1.843 6 2HB SER 1 2HB SER 1 -13.700 4.022 -2.850 7 HG SER 1 HG SER 1 -15.885 3.391 -2.606 8 H GLN 2 H GLN 2 -12.113 2.496 -2.006 9 HA GLN 2 HA GLN 2 -10.141 2.689 0.105 10 1HB GLN 2 1HB GLN 2 -9.917 1.811 -2.809 11 2HB GLN 2 2HB GLN 2 -8.627 1.737 -1.605 12 1HG GLN 2 1HG GLN 2 -9.573 -0.437 -1.715 13 2HG GLN 2 2HG GLN 2 -10.048 0.276 -0.169 14 1HE2 GLN 2 2HE2 GLN 2 -11.863 -1.131 0.068 15 2HE2 GLN 2 1HE2 GLN 2 -13.284 -0.991 -0.946 16 H GLY 3 H GLY 3 -10.263 4.010 -3.253 17 1HA GLY 3 1HA GLY 3 -8.057 5.817 -2.768 18 2HA GLY 3 2HA GLY 3 -9.039 5.678 -4.230 19 H THR 4 H THR 4 -9.242 6.850 -0.832 20 HA THR 4 HA THR 4 -11.099 9.043 -1.677 21 HB THR 4 HB THR 4 -11.683 9.099 0.729 22 HG1 THR 4 HG1 THR 4 -10.273 6.633 0.841 23 1HG2 THR 4 1HG2 THR 4 -13.096 7.894 -0.865 24 2HG2 THR 4 2HG2 THR 4 -12.096 6.438 -0.692 25 3HG2 THR 4 3HG2 THR 4 -13.045 7.034 0.687 26 H THR 5 H THR 5 -9.636 9.401 1.325 27 HA THR 5 HA THR 5 -7.455 11.187 0.386 28 HB THR 5 HB THR 5 -8.332 12.972 1.924 29 HG1 THR 5 HG1 THR 5 -10.571 12.862 2.395 30 1HG2 THR 5 1HG2 THR 5 -10.217 12.346 -0.388 31 2HG2 THR 5 2HG2 THR 5 -9.907 13.925 0.351 32 3HG2 THR 5 3HG2 THR 5 -8.619 13.110 -0.555 33 H SER 6 H SER 6 -9.307 10.308 3.313 34 HA SER 6 HA SER 6 -7.382 10.631 5.232 35 1HB SER 6 1HB SER 6 -8.742 8.997 6.569 36 2HB SER 6 2HB SER 6 -9.696 10.260 5.767 37 HG SER 6 HG SER 6 -10.597 8.170 5.490 38 H GLU 7 H GLU 7 -8.027 7.579 3.460 39 HA GLU 7 HA GLU 7 -5.633 6.298 4.639 40 1HB GLU 7 1HB GLU 7 -6.373 4.312 3.447 41 2HB GLU 7 2HB GLU 7 -7.601 4.942 4.563 42 1HG GLU 7 1HG GLU 7 -8.820 5.933 2.623 43 2HG GLU 7 2HG GLU 7 -7.608 5.226 1.538 44 H TYR 8 H TYR 8 -6.969 7.413 1.590 45 HA TYR 8 HA TYR 8 -5.215 6.365 -0.222 46 1HB TYR 8 1HB TYR 8 -7.304 7.436 -0.733 47 2HB TYR 8 2HB TYR 8 -6.686 9.003 -0.200 48 HD1 TYR 8 HD1 TYR 8 -5.735 6.228 -2.551 49 HD2 TYR 8 HD2 TYR 8 -5.831 10.471 -1.821 50 HE1 TYR 8 HE1 TYR 8 -4.837 6.609 -4.783 51 HE2 TYR 8 HE2 TYR 8 -4.976 10.886 -4.068 52 HH TYR 8 HH TYR 8 -4.222 9.936 -6.063 53 H SER 9 H SER 9 -4.976 9.676 1.158 54 HA SER 9 HA SER 9 -2.640 10.412 -0.155 55 1HB SER 9 1HB SER 9 -3.706 11.365 2.524 56 2HB SER 9 2HB SER 9 -2.515 12.212 1.515 57 HG SER 9 HG SER 9 -4.113 12.244 -0.146 58 H LYS 10 H LYS 10 -2.912 8.146 2.488 59 HA LYS 10 HA LYS 10 -0.186 8.522 3.473 60 1HB LYS 10 1HB LYS 10 -1.975 6.126 3.921 61 2HB LYS 10 2HB LYS 10 -0.620 6.688 4.892 62 1HG LYS 10 1HG LYS 10 -3.346 8.051 4.596 63 2HG LYS 10 2HG LYS 10 -2.771 7.088 5.945 64 1HD LYS 10 1HD LYS 10 -2.548 9.213 6.727 65 2HD LYS 10 2HD LYS 10 -0.891 8.831 6.239 66 1HE LYS 10 1HE LYS 10 -1.085 10.303 4.299 67 2HE LYS 10 2HE LYS 10 -2.848 10.370 4.464 68 1HZ LYS 10 1HZ LYS 10 -0.897 11.471 6.347 69 2HZ LYS 10 2HZ LYS 10 -1.783 12.327 5.251 70 3HZ LYS 10 3HZ LYS 10 -2.537 11.556 6.498 71 H TYR 11 H TYR 11 -1.849 5.819 1.689 72 HA TYR 11 HA TYR 11 0.714 4.598 1.118 73 1HB TYR 11 1HB TYR 11 -0.574 2.994 -0.148 74 2HB TYR 11 2HB TYR 11 -1.095 3.204 1.529 75 HD1 TYR 11 HD1 TYR 11 -1.979 4.072 -2.018 76 HD2 TYR 11 HD2 TYR 11 -3.379 3.600 2.035 77 HE1 TYR 11 HE1 TYR 11 -4.318 4.091 -2.819 78 HE2 TYR 11 HE2 TYR 11 -5.712 3.590 1.227 79 HH TYR 11 HH TYR 11 -7.119 3.873 -0.601 80 H LEU 12 H LEU 12 -1.198 7.007 -0.417 81 HA LEU 12 HA LEU 12 -0.299 6.894 -3.039 82 1HB LEU 12 1HB LEU 12 -1.998 8.381 -2.316 83 2HB LEU 12 2HB LEU 12 -0.942 9.082 -1.075 84 HG LEU 12 HG LEU 12 0.426 10.183 -2.790 85 1HD1 LEU 12 1HD1 LEU 12 -0.379 10.242 -5.160 86 2HD1 LEU 12 2HD1 LEU 12 0.063 8.594 -4.696 87 3HD1 LEU 12 3HD1 LEU 12 -1.647 9.066 -4.755 88 1HD2 LEU 12 1HD2 LEU 12 -1.394 11.436 -1.829 89 2HD2 LEU 12 2HD2 LEU 12 -1.260 11.838 -3.546 90 3HD2 LEU 12 3HD2 LEU 12 -2.549 10.748 -2.993 91 H ASP 13 H ASP 13 1.337 7.939 -0.035 92 HA ASP 13 HA ASP 13 3.627 9.120 -1.263 93 1HB ASP 13 1HB ASP 13 2.877 9.521 1.092 94 2HB ASP 13 2HB ASP 13 3.318 7.850 1.484 95 H SER 14 H SER 14 5.733 8.349 -1.357 96 HA SER 14 HA SER 14 5.832 5.552 -2.313 97 1HB SER 14 1HB SER 14 7.597 7.914 -2.943 98 2HB SER 14 2HB SER 14 7.704 6.273 -3.637 99 HG SER 14 HG SER 14 5.539 6.596 -4.403 100 H ARG 15 H ARG 15 6.155 4.595 -0.335 101 HA ARG 15 HA ARG 15 8.817 3.959 0.193 102 1HB ARG 15 1HB ARG 15 9.101 6.090 1.297 103 2HB ARG 15 2HB ARG 15 7.585 5.911 2.189 104 1HG ARG 15 1HG ARG 15 9.546 5.526 3.606 105 2HG ARG 15 2HG ARG 15 8.505 4.102 3.537 106 1HD ARG 15 1HD ARG 15 10.023 3.001 1.957 107 2HD ARG 15 2HD ARG 15 11.029 4.450 1.850 108 HE ARG 15 HE ARG 15 10.968 2.408 3.930 109 1HH1 ARG 15 1HH1 ARG 15 11.869 5.797 3.290 110 2HH1 ARG 15 2HH1 ARG 15 13.027 5.844 4.598 111 1HH2 ARG 15 1HH2 ARG 15 12.480 2.516 5.624 112 2HH2 ARG 15 2HH2 ARG 15 13.370 3.991 5.921 113 H ARG 16 H ARG 16 5.671 4.486 1.841 114 HA ARG 16 HA ARG 16 5.803 1.975 3.240 115 1HB ARG 16 1HB ARG 16 3.712 2.542 4.128 116 2HB ARG 16 2HB ARG 16 4.675 4.026 4.007 117 1HG ARG 16 1HG ARG 16 3.350 4.550 1.868 118 2HG ARG 16 2HG ARG 16 2.321 3.166 2.315 119 1HD ARG 16 1HD ARG 16 1.201 4.891 3.352 120 2HD ARG 16 2HD ARG 16 2.212 4.332 4.674 121 HE ARG 16 HE ARG 16 2.492 6.782 3.006 122 1HH1 ARG 16 1HH1 ARG 16 3.691 5.005 5.870 123 2HH1 ARG 16 2HH1 ARG 16 4.601 6.378 6.447 124 1HH2 ARG 16 1HH2 ARG 16 3.727 8.499 3.776 125 2HH2 ARG 16 2HH2 ARG 16 4.625 8.349 5.269 126 H ALA 17 H ALA 17 4.003 3.136 0.336 127 HA ALA 17 HA ALA 17 2.698 0.649 -0.194 128 1HB ALA 17 1HB ALA 17 2.373 1.645 -2.466 129 2HB ALA 17 2HB ALA 17 1.844 2.661 -1.111 130 3HB ALA 17 3HB ALA 17 3.368 3.030 -1.952 131 H GLN 18 H GLN 18 5.827 2.045 -1.268 132 HA GLN 18 HA GLN 18 6.419 0.007 -3.162 133 1HB GLN 18 1HB GLN 18 8.566 1.429 -1.568 134 2HB GLN 18 2HB GLN 18 8.608 0.844 -3.233 135 1HG GLN 18 1HG GLN 18 7.246 3.291 -2.101 136 2HG GLN 18 2HG GLN 18 8.518 3.222 -3.312 137 1HE2 GLN 18 2HE2 GLN 18 5.258 3.737 -2.846 138 2HE2 GLN 18 1HE2 GLN 18 4.699 3.501 -4.482 139 H ASP 19 H ASP 19 7.175 0.360 0.314 140 HA ASP 19 HA ASP 19 8.692 -2.006 0.672 141 1HB ASP 19 1HB ASP 19 8.648 -0.227 2.321 142 2HB ASP 19 2HB ASP 19 6.917 -0.457 2.597 143 H PHE 20 H PHE 20 5.159 -1.385 1.029 144 HA PHE 20 HA PHE 20 4.394 -4.027 1.698 145 1HB PHE 20 1HB PHE 20 2.823 -1.991 0.095 146 2HB PHE 20 2HB PHE 20 2.167 -3.382 0.952 147 HD1 PHE 20 HD1 PHE 20 4.193 -2.704 3.486 148 HD2 PHE 20 HD2 PHE 20 1.159 -0.593 1.240 149 HE1 PHE 20 HE1 PHE 20 3.829 -1.191 5.387 150 HE2 PHE 20 HE2 PHE 20 0.812 0.926 3.164 151 HZ PHE 20 HZ PHE 20 2.146 0.632 5.241 152 H VAL 21 H VAL 21 5.062 -2.542 -1.518 153 HA VAL 21 HA VAL 21 4.138 -4.873 -2.937 154 HB VAL 21 HB VAL 21 5.857 -2.505 -3.740 155 1HG1 VAL 21 1HG2 VAL 21 5.642 -3.330 -6.084 156 2HG1 VAL 21 2HG2 VAL 21 6.702 -4.336 -5.095 157 3HG1 VAL 21 3HG2 VAL 21 5.048 -4.883 -5.459 158 1HG2 VAL 21 1HG1 VAL 21 3.369 -2.206 -3.419 159 2HG2 VAL 21 2HG1 VAL 21 3.906 -1.933 -5.084 160 3HG2 VAL 21 3HG1 VAL 21 3.104 -3.455 -4.644 161 H GLN 22 H GLN 22 7.398 -3.921 -1.715 162 HA GLN 22 HA GLN 22 8.749 -6.179 -2.801 163 1HB GLN 22 1HB GLN 22 9.377 -4.989 -0.074 164 2HB GLN 22 2HB GLN 22 10.448 -5.849 -1.181 165 1HG GLN 22 1HG GLN 22 9.392 -3.045 -1.352 166 2HG GLN 22 2HG GLN 22 11.054 -3.597 -1.318 167 1HE2 GLN 22 2HE2 GLN 22 8.464 -2.624 -3.347 168 2HE2 GLN 22 1HE2 GLN 22 9.167 -3.088 -4.887 169 H TRP 23 H TRP 23 6.714 -5.791 0.099 170 HA TRP 23 HA TRP 23 7.510 -8.262 1.363 171 1HB TRP 23 1HB TRP 23 6.594 -6.612 2.785 172 2HB TRP 23 2HB TRP 23 5.257 -6.273 1.690 173 HD1 TRP 23 HD1 TRP 23 6.451 -9.171 3.853 174 HE1 TRP 23 HE1 TRP 23 4.356 -10.539 4.675 175 HE3 TRP 23 HE3 TRP 23 2.916 -6.814 1.167 176 HZ2 TRP 23 HZ2 TRP 23 1.555 -10.586 4.118 177 HZ3 TRP 23 HZ3 TRP 23 0.520 -7.553 1.238 178 HH2 TRP 23 HH2 TRP 23 -0.149 -9.436 2.726 179 H LEU 24 H LEU 24 4.619 -7.193 -0.404 180 HA LEU 24 HA LEU 24 3.164 -9.512 -0.625 181 1HB LEU 24 1HB LEU 24 2.438 -7.264 -1.295 182 2HB LEU 24 2HB LEU 24 3.576 -7.278 -2.643 183 HG LEU 24 HG LEU 24 2.322 -9.143 -3.703 184 1HD1 LEU 24 1HD1 LEU 24 1.353 -10.267 -1.745 185 2HD1 LEU 24 2HD1 LEU 24 0.428 -8.806 -1.329 186 3HD1 LEU 24 3HD1 LEU 24 0.053 -9.717 -2.806 187 1HD2 LEU 24 1HD2 LEU 24 0.590 -6.762 -2.919 188 2HD2 LEU 24 2HD2 LEU 24 1.786 -6.794 -4.234 189 3HD2 LEU 24 3HD2 LEU 24 0.344 -7.822 -4.324 190 H MET 25 H MET 25 5.875 -8.401 -2.625 191 HA MET 25 HA MET 25 5.778 -10.524 -4.577 192 1HB MET 25 1HB MET 25 7.932 -8.553 -3.750 193 2HB MET 25 2HB MET 25 8.200 -9.795 -4.981 194 1HG MET 25 1HG MET 25 6.506 -8.925 -6.409 195 2HG MET 25 2HG MET 25 5.863 -7.872 -5.153 196 1HE MET 25 1HE MET 25 9.743 -8.361 -6.081 197 2HE MET 25 2HE MET 25 8.835 -8.549 -7.603 198 3HE MET 25 3HE MET 25 9.873 -7.128 -7.350 199 H ASN 26 H ASN 26 7.832 -10.026 -1.647 200 HA ASN 26 HA ASN 26 9.286 -12.449 -1.909 201 1HB ASN 26 1HB ASN 26 8.765 -10.532 0.373 202 2HB ASN 26 2HB ASN 26 9.537 -12.089 0.681 203 1HD2 ASN 26 2HD2 ASN 26 9.857 -9.233 -1.519 204 2HD2 ASN 26 1HD2 ASN 26 11.604 -9.329 -1.612 205 H THR 27 H THR 27 6.331 -11.766 0.061 206 HA THR 27 HA THR 27 6.229 -14.438 1.088 207 HB THR 27 HB THR 27 5.268 -12.385 2.147 208 HG1 THR 27 HG1 THR 27 4.772 -14.510 2.805 209 1HG2 THR 27 1HG2 THR 27 3.031 -11.663 1.646 210 2HG2 THR 27 2HG2 THR 27 3.991 -11.518 0.166 211 3HG2 THR 27 3HG2 THR 27 2.849 -12.864 0.361 212 1HN NH2 28 1H NH2 28 4.617 -12.809 -1.700 213 2HN NH2 28 2H NH2 28 3.950 -14.284 -2.356 Start of MODEL 16 1 1H SER 1 1H SER 1 -10.549 0.359 -4.691 2 2H SER 1 2H SER 1 -11.596 -0.837 -5.129 3 3H SER 1 3H SER 1 -11.883 0.721 -5.591 4 HA SER 1 HA SER 1 -12.191 1.416 -3.367 5 1HB SER 1 1HB SER 1 -13.932 -0.964 -4.130 6 2HB SER 1 2HB SER 1 -14.323 0.260 -2.904 7 HG SER 1 HG SER 1 -13.882 0.720 -5.671 8 H GLN 2 H GLN 2 -11.896 -2.168 -3.536 9 HA GLN 2 HA GLN 2 -11.255 -3.726 -2.048 10 1HB GLN 2 1HB GLN 2 -9.152 -2.232 -2.414 11 2HB GLN 2 2HB GLN 2 -9.470 -1.630 -0.781 12 1HG GLN 2 1HG GLN 2 -9.399 -4.103 -0.024 13 2HG GLN 2 2HG GLN 2 -8.856 -4.482 -1.661 14 1HE2 GLN 2 2HE2 GLN 2 -8.114 -2.410 1.196 15 2HE2 GLN 2 1HE2 GLN 2 -6.372 -2.447 0.969 16 H GLY 3 H GLY 3 -13.635 -2.346 -1.336 17 1HA GLY 3 1HA GLY 3 -15.104 -2.226 0.423 18 2HA GLY 3 2HA GLY 3 -13.861 -2.828 1.530 19 H THR 4 H THR 4 -12.032 -1.244 1.982 20 HA THR 4 HA THR 4 -13.086 1.514 2.423 21 HB THR 4 HB THR 4 -10.907 -0.059 3.849 22 HG1 THR 4 HG1 THR 4 -12.461 -0.096 5.508 23 1HG2 THR 4 1HG2 THR 4 -12.176 2.653 4.463 24 2HG2 THR 4 2HG2 THR 4 -11.027 1.788 5.505 25 3HG2 THR 4 3HG2 THR 4 -10.505 2.386 3.924 26 H THR 5 H THR 5 -12.387 2.801 0.779 27 HA THR 5 HA THR 5 -10.214 2.357 -0.915 28 HB THR 5 HB THR 5 -11.446 5.025 -0.092 29 HG1 THR 5 HG1 THR 5 -12.230 3.145 -2.063 30 1HG2 THR 5 1HG2 THR 5 -10.119 4.150 -2.695 31 2HG2 THR 5 2HG2 THR 5 -10.895 5.716 -2.396 32 3HG2 THR 5 3HG2 THR 5 -9.421 5.281 -1.515 33 H SER 6 H SER 6 -10.387 4.309 2.068 34 HA SER 6 HA SER 6 -7.851 5.424 2.085 35 1HB SER 6 1HB SER 6 -9.447 4.473 4.493 36 2HB SER 6 2HB SER 6 -8.211 5.744 4.461 37 HG SER 6 HG SER 6 -9.571 6.885 2.998 38 H GLU 7 H GLU 7 -8.714 2.040 2.703 39 HA GLU 7 HA GLU 7 -6.531 1.345 4.354 40 1HB GLU 7 1HB GLU 7 -8.541 -0.044 4.056 41 2HB GLU 7 2HB GLU 7 -8.085 -0.371 2.376 42 1HG GLU 7 1HG GLU 7 -7.485 -2.253 3.786 43 2HG GLU 7 2HG GLU 7 -6.026 -1.501 3.141 44 H TYR 8 H TYR 8 -6.938 0.816 0.785 45 HA TYR 8 HA TYR 8 -4.175 0.091 0.488 46 1HB TYR 8 1HB TYR 8 -4.583 -0.146 -1.807 47 2HB TYR 8 2HB TYR 8 -5.976 -0.784 -0.954 48 HD1 TYR 8 HD1 TYR 8 -4.697 2.063 -3.005 49 HD2 TYR 8 HD2 TYR 8 -8.175 0.221 -1.257 50 HE1 TYR 8 HE1 TYR 8 -6.156 3.346 -4.545 51 HE2 TYR 8 HE2 TYR 8 -9.616 1.388 -2.915 52 HH TYR 8 HH TYR 8 -8.291 3.663 -5.332 53 H SER 9 H SER 9 -5.871 3.170 0.351 54 HA SER 9 HA SER 9 -4.160 4.719 -1.189 55 1HB SER 9 1HB SER 9 -5.548 5.513 1.392 56 2HB SER 9 2HB SER 9 -4.882 6.621 0.183 57 HG SER 9 HG SER 9 -6.923 4.705 -0.291 58 H LYS 10 H LYS 10 -3.609 3.466 2.118 59 HA LYS 10 HA LYS 10 -1.263 5.004 2.681 60 1HB LYS 10 1HB LYS 10 -2.060 2.257 3.699 61 2HB LYS 10 2HB LYS 10 -0.904 3.370 4.433 62 1HG LYS 10 1HG LYS 10 -3.920 3.741 4.227 63 2HG LYS 10 2HG LYS 10 -2.960 3.380 5.648 64 1HD LYS 10 1HD LYS 10 -3.347 5.591 5.962 65 2HD LYS 10 2HD LYS 10 -1.760 5.660 5.194 66 1HE LYS 10 1HE LYS 10 -2.837 6.384 3.062 67 2HE LYS 10 2HE LYS 10 -4.433 6.049 3.740 68 1HZ LYS 10 1HZ LYS 10 -3.875 8.347 3.781 69 2HZ LYS 10 2HZ LYS 10 -4.028 7.783 5.323 70 3HZ LYS 10 3HZ LYS 10 -2.530 8.063 4.691 71 H TYR 11 H TYR 11 -1.668 1.615 1.397 72 HA TYR 11 HA TYR 11 1.201 1.602 0.752 73 1HB TYR 11 1HB TYR 11 0.764 -0.781 0.219 74 2HB TYR 11 2HB TYR 11 0.633 -0.284 1.900 75 HD1 TYR 11 HD1 TYR 11 -1.282 -1.561 -1.019 76 HD2 TYR 11 HD2 TYR 11 -1.443 -0.389 3.131 77 HE1 TYR 11 HE1 TYR 11 -3.372 -2.854 -0.729 78 HE2 TYR 11 HE2 TYR 11 -3.490 -1.741 3.428 79 HH TYR 11 HH TYR 11 -4.910 -3.277 2.477 80 H LEU 12 H LEU 12 -0.010 3.447 -0.552 81 HA LEU 12 HA LEU 12 0.177 2.593 -3.323 82 1HB LEU 12 1HB LEU 12 -2.164 2.636 -3.103 83 2HB LEU 12 2HB LEU 12 -2.132 4.076 -2.081 84 HG LEU 12 HG LEU 12 -1.611 5.522 -3.838 85 1HD1 LEU 12 1HD2 LEU 12 -1.292 5.048 -5.807 86 2HD1 LEU 12 2HD2 LEU 12 -1.345 3.870 -6.403 87 3HD1 LEU 12 3HD2 LEU 12 -1.571 3.116 -5.327 88 1HD2 LEU 12 1HD1 LEU 12 -3.576 5.283 -5.306 89 2HD2 LEU 12 2HD1 LEU 12 -3.967 4.889 -3.625 90 3HD2 LEU 12 3HD1 LEU 12 -3.753 3.587 -4.813 91 H ASP 13 H ASP 13 0.010 5.130 -0.863 92 HA ASP 13 HA ASP 13 0.866 7.416 -1.959 93 1HB ASP 13 1HB ASP 13 0.152 7.113 0.329 94 2HB ASP 13 2HB ASP 13 1.609 6.198 0.706 95 H SER 14 H SER 14 3.410 5.997 -0.095 96 HA SER 14 HA SER 14 5.385 6.369 -2.299 97 1HB SER 14 1HB SER 14 5.437 7.888 0.342 98 2HB SER 14 2HB SER 14 6.738 7.874 -0.874 99 HG SER 14 HG SER 14 4.081 8.752 -1.312 100 H ARG 15 H ARG 15 6.876 6.407 0.754 101 HA ARG 15 HA ARG 15 8.453 4.227 0.258 102 1HB ARG 15 1HB ARG 15 8.855 6.009 1.908 103 2HB ARG 15 2HB ARG 15 7.650 5.321 2.994 104 1HG ARG 15 1HG ARG 15 10.201 3.904 2.069 105 2HG ARG 15 2HG ARG 15 10.024 4.833 3.562 106 1HD ARG 15 1HD ARG 15 8.130 3.220 4.207 107 2HD ARG 15 2HD ARG 15 8.713 2.182 2.886 108 HE ARG 15 HE ARG 15 10.938 2.859 4.451 109 1HH1 ARG 15 1HH1 ARG 15 7.933 0.969 4.710 110 2HH1 ARG 15 2HH1 ARG 15 8.621 -0.181 5.831 111 1HH2 ARG 15 1HH2 ARG 15 11.807 1.332 5.916 112 2HH2 ARG 15 2HH2 ARG 15 10.813 0.024 6.515 113 H ARG 16 H ARG 16 5.691 4.245 2.556 114 HA ARG 16 HA ARG 16 5.755 1.542 3.241 115 1HB ARG 16 1HB ARG 16 3.426 1.864 3.987 116 2HB ARG 16 2HB ARG 16 4.524 3.144 4.527 117 1HG ARG 16 1HG ARG 16 3.693 4.636 2.725 118 2HG ARG 16 2HG ARG 16 2.627 3.341 2.160 119 1HD ARG 16 1HD ARG 16 1.338 3.417 4.195 120 2HD ARG 16 2HD ARG 16 2.521 4.484 4.973 121 HE ARG 16 HE ARG 16 1.105 5.351 2.508 122 1HH1 ARG 16 1HH1 ARG 16 1.509 5.837 6.030 123 2HH1 ARG 16 2HH1 ARG 16 0.683 7.374 6.000 124 1HH2 ARG 16 1HH2 ARG 16 0.064 7.355 2.536 125 2HH2 ARG 16 2HH2 ARG 16 -0.142 8.228 4.036 126 H ALA 17 H ALA 17 4.372 3.052 0.332 127 HA ALA 17 HA ALA 17 2.862 0.744 -0.506 128 1HB ALA 17 1HB ALA 17 2.513 3.143 -1.233 129 2HB ALA 17 2HB ALA 17 3.931 2.973 -2.271 130 3HB ALA 17 3HB ALA 17 2.534 1.928 -2.538 131 H GLN 18 H GLN 18 6.141 2.028 -1.335 132 HA GLN 18 HA GLN 18 6.739 -0.060 -3.186 133 1HB GLN 18 1HB GLN 18 8.846 1.305 -1.473 134 2HB GLN 18 2HB GLN 18 8.993 0.625 -3.094 135 1HG GLN 18 1HG GLN 18 7.792 3.239 -2.209 136 2HG GLN 18 2HG GLN 18 9.044 2.944 -3.402 137 1HE2 GLN 18 2HE2 GLN 18 5.858 3.834 -3.055 138 2HE2 GLN 18 1HE2 GLN 18 5.262 3.414 -4.648 139 H ASP 19 H ASP 19 7.368 0.283 0.305 140 HA ASP 19 HA ASP 19 8.786 -2.120 0.739 141 1HB ASP 19 1HB ASP 19 8.671 -0.262 2.340 142 2HB ASP 19 2HB ASP 19 6.943 -0.546 2.588 143 H PHE 20 H PHE 20 5.272 -1.387 0.968 144 HA PHE 20 HA PHE 20 4.355 -3.961 1.632 145 1HB PHE 20 1HB PHE 20 3.018 -1.929 1.774 146 2HB PHE 20 2HB PHE 20 3.014 -1.773 0.018 147 HD1 PHE 20 HD1 PHE 20 1.585 -3.482 2.930 148 HD2 PHE 20 HD2 PHE 20 1.680 -3.332 -1.376 149 HE1 PHE 20 HE1 PHE 20 -0.540 -4.765 2.837 150 HE2 PHE 20 HE2 PHE 20 -0.427 -4.648 -1.466 151 HZ PHE 20 HZ PHE 20 -1.541 -5.357 0.640 152 H VAL 21 H VAL 21 5.170 -2.534 -1.601 153 HA VAL 21 HA VAL 21 4.095 -4.804 -3.023 154 HB VAL 21 HB VAL 21 5.942 -2.528 -3.814 155 1HG1 VAL 21 1HG1 VAL 21 6.667 -4.399 -5.204 156 2HG1 VAL 21 2HG1 VAL 21 4.976 -4.833 -5.552 157 3HG1 VAL 21 3HG1 VAL 21 5.662 -3.316 -6.171 158 1HG2 VAL 21 1HG2 VAL 21 3.141 -3.317 -4.737 159 2HG2 VAL 21 2HG2 VAL 21 3.455 -2.119 -3.475 160 3HG2 VAL 21 3HG2 VAL 21 4.015 -1.823 -5.129 161 H GLN 22 H GLN 22 7.440 -3.966 -2.020 162 HA GLN 22 HA GLN 22 8.690 -6.322 -3.006 163 1HB GLN 22 1HB GLN 22 9.301 -4.696 -0.500 164 2HB GLN 22 2HB GLN 22 10.394 -5.872 -1.242 165 1HG GLN 22 1HG GLN 22 9.363 -3.363 -2.620 166 2HG GLN 22 2HG GLN 22 10.900 -3.509 -1.769 167 1HE2 GLN 22 2HE2 GLN 22 9.052 -4.461 -4.650 168 2HE2 GLN 22 1HE2 GLN 22 10.414 -5.091 -5.553 169 H TRP 23 H TRP 23 6.773 -5.719 -0.084 170 HA TRP 23 HA TRP 23 7.591 -8.116 1.316 171 1HB TRP 23 1HB TRP 23 6.775 -6.328 2.634 172 2HB TRP 23 2HB TRP 23 5.384 -6.069 1.588 173 HD1 TRP 23 HD1 TRP 23 6.658 -8.743 3.968 174 HE1 TRP 23 HE1 TRP 23 4.589 -9.953 5.063 175 HE3 TRP 23 HE3 TRP 23 3.005 -6.579 1.269 176 HZ2 TRP 23 HZ2 TRP 23 1.761 -10.008 4.661 177 HZ3 TRP 23 HZ3 TRP 23 0.615 -7.300 1.514 178 HH2 TRP 23 HH2 TRP 23 0.000 -8.987 3.239 179 H LEU 24 H LEU 24 4.592 -7.123 -0.319 180 HA LEU 24 HA LEU 24 3.157 -9.467 -0.385 181 1HB LEU 24 1HB LEU 24 2.372 -7.230 -1.060 182 2HB LEU 24 2HB LEU 24 3.417 -7.278 -2.482 183 HG LEU 24 HG LEU 24 2.097 -9.177 -3.400 184 1HD1 LEU 24 1HD1 LEU 24 -0.104 -9.723 -2.330 185 2HD1 LEU 24 2HD1 LEU 24 1.267 -10.242 -1.346 186 3HD1 LEU 24 3HD1 LEU 24 0.371 -8.768 -0.911 187 1HD2 LEU 24 1HD2 LEU 24 0.413 -6.781 -2.566 188 2HD2 LEU 24 2HD2 LEU 24 0.081 -7.875 -3.925 189 3HD2 LEU 24 3HD2 LEU 24 1.520 -6.840 -3.955 190 H MET 25 H MET 25 5.775 -8.407 -2.526 191 HA MET 25 HA MET 25 5.564 -10.529 -4.466 192 1HB MET 25 1HB MET 25 7.712 -8.542 -3.700 193 2HB MET 25 2HB MET 25 8.053 -9.840 -4.848 194 1HG MET 25 1HG MET 25 6.342 -9.113 -6.354 195 2HG MET 25 2HG MET 25 5.719 -7.926 -5.204 196 1HE MET 25 1HE MET 25 6.591 -7.480 -8.363 197 2HE MET 25 2HE MET 25 5.738 -6.307 -7.335 198 3HE MET 25 3HE MET 25 7.218 -5.825 -8.196 199 H ASN 26 H ASN 26 7.913 -10.027 -1.763 200 HA ASN 26 HA ASN 26 9.234 -12.504 -2.073 201 1HB ASN 26 1HB ASN 26 8.982 -10.532 0.215 202 2HB ASN 26 2HB ASN 26 9.783 -12.087 0.450 203 1HD2 ASN 26 2HD2 ASN 26 9.875 -9.202 -1.723 204 2HD2 ASN 26 1HD2 ASN 26 11.592 -9.328 -2.048 205 H THR 27 H THR 27 6.382 -11.672 -0.066 206 HA THR 27 HA THR 27 6.205 -14.271 1.166 207 HB THR 27 HB THR 27 3.933 -13.506 1.822 208 HG1 THR 27 HG1 THR 27 4.641 -11.117 0.466 209 1HG2 THR 27 1HG2 THR 27 5.935 -12.954 3.180 210 2HG2 THR 27 2HG2 THR 27 6.142 -11.443 2.276 211 3HG2 THR 27 3HG2 THR 27 4.690 -11.692 3.265 212 1HN NH2 28 1H NH2 28 4.395 -12.740 -1.586 213 2HN NH2 28 2H NH2 28 3.872 -14.265 -2.268
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