NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566030 | 2m1a | 18852 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.636 0.792 0.548 2 H2 GLY 1 H2 GLY 1 1.606 -0.848 0.474 3 H3 GLY 1 H3 GLY 1 0.365 0.141 -0.263 4 HA2 GLY 1 HA2 GLY 1 2.622 -0.936 -1.321 5 HA3 GLY 1 HA3 GLY 1 1.360 0.070 -2.071 6 H ALA 2 H ALA 2 3.814 0.412 -3.069 7 HA ALA 2 HA ALA 2 5.310 2.452 -1.653 8 HB1 ALA 2 HB1 ALA 2 5.432 1.555 -4.553 9 HB2 ALA 2 HB2 ALA 2 6.634 2.567 -3.718 10 HB3 ALA 2 HB3 ALA 2 6.387 0.879 -3.212 11 H MET 3 H MET 3 2.981 2.442 -4.358 12 HA MET 3 HA MET 3 3.190 5.321 -4.752 13 HB2 MET 3 HB2 MET 3 0.995 3.432 -5.617 14 HB3 MET 3 HB3 MET 3 1.376 5.037 -6.286 15 HG2 MET 3 HG2 MET 3 3.622 4.104 -6.962 16 HG3 MET 3 HG3 MET 3 3.010 2.497 -6.504 17 HE1 MET 3 HE1 MET 3 3.129 5.293 -9.150 18 HE2 MET 3 HE2 MET 3 1.653 5.040 -10.112 19 HE3 MET 3 HE3 MET 3 1.534 5.652 -8.445 20 H ALA 4 H ALA 4 1.265 3.183 -2.742 21 HA ALA 4 HA ALA 4 -0.931 4.814 -2.186 22 HB1 ALA 4 HB1 ALA 4 0.619 3.060 -0.246 23 HB2 ALA 4 HB2 ALA 4 -1.050 3.641 -0.030 24 HB3 ALA 4 HB3 ALA 4 -0.665 2.511 -1.350 25 H THR 5 H THR 5 2.385 5.064 -0.949 26 HA THR 5 HA THR 5 1.741 7.114 1.013 27 HB THR 5 HB THR 5 4.230 7.468 1.019 28 HG1 THR 5 HG1 THR 5 5.467 5.962 -0.231 29 HG21 THR 5 HG21 THR 5 3.327 4.566 1.217 30 HG22 THR 5 HG22 THR 5 4.797 5.250 1.951 31 HG23 THR 5 HG23 THR 5 3.193 5.787 2.505 32 H ARG 6 H ARG 6 2.825 7.135 -2.366 33 HA ARG 6 HA ARG 6 3.446 9.898 -2.534 34 HB2 ARG 6 HB2 ARG 6 3.744 7.936 -4.219 35 HB3 ARG 6 HB3 ARG 6 2.109 8.386 -4.756 36 HG2 ARG 6 HG2 ARG 6 3.371 9.655 -6.200 37 HG3 ARG 6 HG3 ARG 6 3.161 10.807 -4.860 38 HD2 ARG 6 HD2 ARG 6 5.440 10.976 -5.178 39 HD3 ARG 6 HD3 ARG 6 5.390 9.660 -3.981 40 HE ARG 6 HE ARG 6 5.285 8.366 -6.413 41 HH11 ARG 6 HH11 ARG 6 7.434 10.707 -4.915 42 HH12 ARG 6 HH12 ARG 6 8.853 10.133 -5.768 43 HH21 ARG 6 HH21 ARG 6 7.129 7.626 -7.514 44 HH22 ARG 6 HH22 ARG 6 8.681 8.392 -7.237 45 H GLN 7 H GLN 7 0.385 8.290 -3.540 46 HA GLN 7 HA GLN 7 -1.016 10.772 -3.873 47 HB2 GLN 7 HB2 GLN 7 -1.572 8.493 -4.837 48 HB3 GLN 7 HB3 GLN 7 -2.216 8.078 -3.230 49 HG2 GLN 7 HG2 GLN 7 -4.042 8.774 -4.676 50 HG3 GLN 7 HG3 GLN 7 -3.790 9.990 -3.401 51 HE21 GLN 7 HE22 GLN 7 -2.984 9.212 -6.800 52 HE22 GLN 7 HE21 GLN 7 -2.918 10.877 -7.346 53 H ALA 8 H ALA 8 -0.375 8.751 -1.078 54 HA ALA 8 HA ALA 8 -2.456 9.707 0.597 55 HB1 ALA 8 HB1 ALA 8 0.351 8.808 1.339 56 HB2 ALA 8 HB2 ALA 8 -1.035 8.937 2.448 57 HB3 ALA 8 HB3 ALA 8 -1.061 7.746 1.126 58 H ARG 9 H ARG 9 0.800 11.000 -0.065 59 HA ARG 9 HA ARG 9 0.889 13.009 1.895 60 HB2 ARG 9 HB2 ARG 9 2.596 12.262 0.082 61 HB3 ARG 9 HB3 ARG 9 1.801 13.497 -0.923 62 HG2 ARG 9 HG2 ARG 9 3.576 14.678 0.007 63 HG3 ARG 9 HG3 ARG 9 2.229 15.074 1.100 64 HD2 ARG 9 HD2 ARG 9 4.106 14.561 2.489 65 HD3 ARG 9 HD3 ARG 9 3.010 13.161 2.573 66 HE ARG 9 HE ARG 9 4.907 12.729 0.502 67 HH11 ARG 9 HH11 ARG 9 4.686 12.946 4.001 68 HH12 ARG 9 HH12 ARG 9 6.039 11.865 4.274 69 HH21 ARG 9 HH21 ARG 9 6.659 11.330 0.865 70 HH22 ARG 9 HH22 ARG 9 7.153 10.952 2.503 71 H ARG 10 H ARG 10 -1.002 12.866 -1.069 72 HA ARG 10 HA ARG 10 -1.758 15.703 -0.884 73 HB2 ARG 10 HB2 ARG 10 -2.608 13.400 -2.644 74 HB3 ARG 10 HB3 ARG 10 -3.326 15.026 -2.735 75 HG2 ARG 10 HG2 ARG 10 -1.409 15.975 -3.617 76 HG3 ARG 10 HG3 ARG 10 -0.347 14.724 -2.928 77 HD2 ARG 10 HD2 ARG 10 -0.801 13.207 -4.628 78 HD3 ARG 10 HD3 ARG 10 -2.370 13.951 -5.014 79 HE ARG 10 HE ARG 10 -0.232 15.767 -5.589 80 HH11 ARG 10 HH11 ARG 10 -1.798 12.842 -6.744 81 HH12 ARG 10 HH12 ARG 10 -1.362 13.124 -8.418 82 HH21 ARG 10 HH21 ARG 10 0.326 16.128 -7.762 83 HH22 ARG 10 HH22 ARG 10 -0.162 14.981 -8.994 84 H ASN 11 H ASN 11 -2.998 12.576 0.131 85 HA ASN 11 HA ASN 11 -5.713 13.382 0.576 86 HB2 ASN 11 HB2 ASN 11 -3.931 11.188 1.631 87 HB3 ASN 11 HB3 ASN 11 -5.555 11.447 2.310 88 HD21 ASN 11 HD22 ASN 11 -4.217 11.624 -1.022 89 HD22 ASN 11 HD21 ASN 11 -5.353 10.485 -1.717 90 H ARG 12 H ARG 12 -2.854 13.335 2.733 91 HA ARG 12 HA ARG 12 -4.248 14.287 5.042 92 HB2 ARG 12 HB2 ARG 12 -1.351 14.629 4.241 93 HB3 ARG 12 HB3 ARG 12 -2.027 14.877 5.868 94 HG2 ARG 12 HG2 ARG 12 -2.389 12.228 4.502 95 HG3 ARG 12 HG3 ARG 12 -0.819 12.619 5.242 96 HD2 ARG 12 HD2 ARG 12 -2.187 13.247 7.343 97 HD3 ARG 12 HD3 ARG 12 -3.527 12.370 6.567 98 HE ARG 12 HE ARG 12 -2.520 10.399 7.168 99 HH11 ARG 12 HH11 ARG 12 -0.117 12.961 7.143 100 HH12 ARG 12 HH12 ARG 12 1.159 11.937 7.771 101 HH21 ARG 12 HH21 ARG 12 -0.863 9.078 7.986 102 HH22 ARG 12 HH22 ARG 12 0.738 9.742 8.248 103 H ARG 13 H ARG 13 -2.682 15.965 2.329 104 HA ARG 13 HA ARG 13 -2.924 18.593 3.516 105 HB2 ARG 13 HB2 ARG 13 -2.529 17.609 0.687 106 HB3 ARG 13 HB3 ARG 13 -2.570 19.330 1.137 107 HG2 ARG 13 HG2 ARG 13 -0.618 19.063 2.542 108 HG3 ARG 13 HG3 ARG 13 -0.622 17.303 2.276 109 HD2 ARG 13 HD2 ARG 13 0.073 17.517 0.039 110 HD3 ARG 13 HD3 ARG 13 -0.408 19.228 -0.042 111 HE ARG 13 HE ARG 13 1.656 18.854 1.908 112 HH11 ARG 13 HH11 ARG 13 1.068 18.968 -1.555 113 HH12 ARG 13 HH12 ARG 13 2.691 19.509 -1.936 114 HH21 ARG 13 HH21 ARG 13 3.758 19.558 1.405 115 HH22 ARG 13 HH22 ARG 13 4.210 19.842 -0.264 116 H ARG 14 H ARG 14 -4.976 16.611 1.402 117 HA ARG 14 HA ARG 14 -6.868 18.757 0.893 118 HB2 ARG 14 HB2 ARG 14 -6.415 16.650 -0.489 119 HB3 ARG 14 HB3 ARG 14 -7.397 15.796 0.725 120 HG2 ARG 14 HG2 ARG 14 -9.314 17.199 0.218 121 HG3 ARG 14 HG3 ARG 14 -8.341 18.170 -0.912 122 HD2 ARG 14 HD2 ARG 14 -7.923 15.731 -1.974 123 HD3 ARG 14 HD3 ARG 14 -9.521 15.448 -1.243 124 HE ARG 14 HE ARG 14 -8.898 17.114 -3.550 125 HH11 ARG 14 HH11 ARG 14 -11.162 16.461 -0.943 126 HH12 ARG 14 HH12 ARG 14 -12.522 17.182 -1.781 127 HH21 ARG 14 HH21 ARG 14 -10.666 18.046 -4.630 128 HH22 ARG 14 HH22 ARG 14 -12.243 18.077 -3.864 129 H ARG 15 H ARG 15 -6.696 16.024 3.183 130 HA ARG 15 HA ARG 15 -9.268 16.214 4.290 131 HB2 ARG 15 HB2 ARG 15 -7.167 14.664 4.756 132 HB3 ARG 15 HB3 ARG 15 -6.923 15.816 6.090 133 HG2 ARG 15 HG2 ARG 15 -9.277 15.357 6.819 134 HG3 ARG 15 HG3 ARG 15 -9.360 14.084 5.578 135 HD2 ARG 15 HD2 ARG 15 -7.395 12.976 6.657 136 HD3 ARG 15 HD3 ARG 15 -7.458 14.201 7.947 137 HE ARG 15 HE ARG 15 -10.013 13.024 7.754 138 HH11 ARG 15 HH11 ARG 15 -6.719 12.140 8.594 139 HH12 ARG 15 HH12 ARG 15 -7.212 10.888 9.718 140 HH21 ARG 15 HH21 ARG 15 -10.644 11.400 9.214 141 HH22 ARG 15 HH22 ARG 15 -9.429 10.470 10.068 142 H TRP 16 H TRP 16 -6.391 18.197 4.957 143 HA TRP 16 HA TRP 16 -7.726 19.667 7.100 144 HB2 TRP 16 HB2 TRP 16 -5.101 20.005 5.600 145 HB3 TRP 16 HB3 TRP 16 -5.666 21.171 6.820 146 HD1 TRP 16 HD1 TRP 16 -3.393 18.652 6.573 147 HE1 TRP 16 HE1 TRP 16 -2.939 17.357 8.904 148 HE3 TRP 16 HE3 TRP 16 -7.559 20.149 9.078 149 HZ2 TRP 16 HZ2 TRP 16 -4.257 17.127 11.317 150 HZ3 TRP 16 HZ3 TRP 16 -7.944 19.408 11.335 151 HH2 TRP 16 HH2 TRP 16 -6.337 17.908 12.503 152 H ARG 17 H ARG 17 -7.275 20.038 3.622 153 HA ARG 17 HA ARG 17 -7.937 22.795 3.412 154 HB2 ARG 17 HB2 ARG 17 -7.149 20.937 1.680 155 HB3 ARG 17 HB3 ARG 17 -8.899 20.851 1.369 156 HG2 ARG 17 HG2 ARG 17 -7.389 23.468 1.340 157 HG3 ARG 17 HG3 ARG 17 -7.499 22.431 -0.102 158 HD2 ARG 17 HD2 ARG 17 -10.066 22.472 0.371 159 HD3 ARG 17 HD3 ARG 17 -9.690 23.903 1.361 160 HE ARG 17 HE ARG 17 -8.459 24.460 -1.016 161 HH11 ARG 17 HH11 ARG 17 -11.704 23.447 -0.128 162 HH12 ARG 17 HH12 ARG 17 -12.462 24.278 -1.472 163 HH21 ARG 17 HH21 ARG 17 -9.448 25.534 -2.755 164 HH22 ARG 17 HH22 ARG 17 -11.188 25.457 -2.956 165 H GLU 18 H GLU 18 -10.099 19.946 2.996 166 HA GLU 18 HA GLU 18 -12.484 21.528 2.858 167 HB2 GLU 18 HB2 GLU 18 -13.648 19.501 2.975 168 HB3 GLU 18 HB3 GLU 18 -12.140 19.143 2.099 169 HG2 GLU 18 HG2 GLU 18 -11.173 18.285 4.224 170 HG3 GLU 18 HG3 GLU 18 -12.754 18.532 5.002 171 H ARG 19 H ARG 19 -10.605 20.272 5.551 172 HA ARG 19 HA ARG 19 -12.624 20.504 7.564 173 HB2 ARG 19 HB2 ARG 19 -9.639 20.415 7.483 174 HB3 ARG 19 HB3 ARG 19 -10.438 20.949 8.981 175 HG2 ARG 19 HG2 ARG 19 -11.077 18.344 7.569 176 HG3 ARG 19 HG3 ARG 19 -9.869 18.486 8.868 177 HD2 ARG 19 HD2 ARG 19 -11.613 19.342 10.391 178 HD3 ARG 19 HD3 ARG 19 -12.819 19.186 9.092 179 HE ARG 19 HE ARG 19 -11.651 16.665 9.377 180 HH11 ARG 19 HH11 ARG 19 -13.475 18.928 11.350 181 HH12 ARG 19 HH12 ARG 19 -14.216 17.672 12.322 182 HH21 ARG 19 HH21 ARG 19 -12.615 15.042 10.642 183 HH22 ARG 19 HH22 ARG 19 -13.731 15.476 11.922 184 H GLN 20 H GLN 20 -10.389 22.862 6.137 185 HA GLN 20 HA GLN 20 -10.898 24.939 8.060 186 HB2 GLN 20 HB2 GLN 20 -9.088 24.606 6.137 187 HB3 GLN 20 HB3 GLN 20 -10.268 25.570 5.218 188 HG2 GLN 20 HG2 GLN 20 -10.086 27.404 6.739 189 HG3 GLN 20 HG3 GLN 20 -9.170 26.424 7.909 190 HE21 GLN 20 HE22 GLN 20 -7.033 25.571 7.134 191 HE22 GLN 20 HE21 GLN 20 -6.069 26.630 6.123 192 H ARG 21 H ARG 21 -12.654 23.770 5.265 193 HA ARG 21 HA ARG 21 -14.200 26.009 4.602 194 HB2 ARG 21 HB2 ARG 21 -14.126 23.530 3.715 195 HB3 ARG 21 HB3 ARG 21 -15.484 23.320 4.846 196 HG2 ARG 21 HG2 ARG 21 -16.390 25.491 3.633 197 HG3 ARG 21 HG3 ARG 21 -15.314 24.940 2.327 198 HD2 ARG 21 HD2 ARG 21 -16.491 22.620 2.739 199 HD3 ARG 21 HD3 ARG 21 -17.765 23.622 3.473 200 HE ARG 21 HE ARG 21 -17.151 24.749 0.969 201 HH11 ARG 21 HH11 ARG 21 -18.468 21.773 2.294 202 HH12 ARG 21 HH12 ARG 21 -19.467 21.448 0.891 203 HH21 ARG 21 HH21 ARG 21 -18.450 24.322 -0.845 204 HH22 ARG 21 HH22 ARG 21 -19.457 22.888 -0.882 205 H ALA 22 H ALA 22 -14.425 23.915 7.430 206 HA ALA 22 HA ALA 22 -17.012 24.761 8.277 207 HB1 ALA 22 HB1 ALA 22 -14.648 23.807 9.931 208 HB2 ALA 22 HB2 ALA 22 -16.342 23.883 10.471 209 HB3 ALA 22 HB3 ALA 22 -15.873 22.767 9.167 210 H ALA 23 H ALA 23 -13.753 26.062 8.922 211 HA ALA 23 HA ALA 23 -14.867 28.172 10.620 212 HB1 ALA 23 HB1 ALA 23 -12.058 27.742 9.543 213 HB2 ALA 23 HB2 ALA 23 -12.533 28.922 10.787 214 HB3 ALA 23 HB3 ALA 23 -12.668 27.179 11.117 215 H ALA 24 H ALA 24 -13.093 28.082 7.491 216 HA ALA 24 HA ALA 24 -13.365 30.817 6.901 217 HB1 ALA 24 HB1 ALA 24 -13.330 28.466 4.976 218 HB2 ALA 24 HB2 ALA 24 -12.984 30.162 4.565 219 HB3 ALA 24 HB3 ALA 24 -11.900 29.274 5.661 220 H ALA 25 H ALA 25 -15.591 28.115 6.180 221 HA ALA 25 HA ALA 25 -17.618 30.172 5.411 222 HB1 ALA 25 HB1 ALA 25 -17.416 27.256 4.584 223 HB2 ALA 25 HB2 ALA 25 -18.683 28.401 4.085 224 HB3 ALA 25 HB3 ALA 25 -16.998 28.658 3.571 225 H ARG 26 H ARG 26 -19.456 30.337 6.514 226 HA ARG 26 HA ARG 26 -19.774 28.660 8.908 227 HB2 ARG 26 HB2 ARG 26 -21.249 31.029 7.758 228 HB3 ARG 26 HB3 ARG 26 -21.803 30.149 9.201 229 HG2 ARG 26 HG2 ARG 26 -19.692 30.676 10.340 230 HG3 ARG 26 HG3 ARG 26 -19.125 31.544 8.894 231 HD2 ARG 26 HD2 ARG 26 -21.111 33.071 9.123 232 HD3 ARG 26 HD3 ARG 26 -21.484 32.269 10.668 233 HE ARG 26 HE ARG 26 -19.807 33.487 11.672 234 HH11 ARG 26 HH11 ARG 26 -19.376 33.542 8.186 235 HH12 ARG 26 HH12 ARG 26 -18.070 34.710 8.245 236 HH21 ARG 26 HH21 ARG 26 -18.115 35.000 11.740 237 HH22 ARG 26 HH22 ARG 26 -17.358 35.534 10.252 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 2.260 0.878 -2.956 2 H2 GLY 1 H2 GLY 1 1.890 -0.267 -1.839 3 H3 GLY 1 H3 GLY 1 2.903 -0.608 -3.224 4 HA2 GLY 1 HA2 GLY 1 3.564 0.101 -0.686 5 HA3 GLY 1 HA3 GLY 1 4.595 -0.246 -2.095 6 H ALA 2 H ALA 2 5.737 1.375 -2.983 7 HA ALA 2 HA ALA 2 5.806 3.932 -1.733 8 HB1 ALA 2 HB1 ALA 2 6.853 3.083 -4.457 9 HB2 ALA 2 HB2 ALA 2 7.326 4.547 -3.562 10 HB3 ALA 2 HB3 ALA 2 7.726 2.939 -2.913 11 H MET 3 H MET 3 3.923 2.683 -4.413 12 HA MET 3 HA MET 3 3.162 5.309 -5.421 13 HB2 MET 3 HB2 MET 3 1.652 4.118 -6.825 14 HB3 MET 3 HB3 MET 3 3.202 3.243 -6.788 15 HG2 MET 3 HG2 MET 3 2.157 1.774 -4.986 16 HG3 MET 3 HG3 MET 3 0.601 2.517 -5.429 17 HE1 MET 3 HE1 MET 3 -0.935 1.059 -6.709 18 HE2 MET 3 HE2 MET 3 -0.403 -0.456 -7.476 19 HE3 MET 3 HE3 MET 3 -0.082 -0.172 -5.748 20 H ALA 4 H ALA 4 1.997 3.122 -2.938 21 HA ALA 4 HA ALA 4 -0.625 4.287 -2.726 22 HB1 ALA 4 HB1 ALA 4 1.022 2.763 -0.677 23 HB2 ALA 4 HB2 ALA 4 -0.725 3.090 -0.584 24 HB3 ALA 4 HB3 ALA 4 -0.083 2.042 -1.871 25 H THR 5 H THR 5 2.521 5.023 -1.270 26 HA THR 5 HA THR 5 1.467 6.911 0.667 27 HB THR 5 HB THR 5 3.796 7.605 0.938 28 HG1 THR 5 HG1 THR 5 5.398 6.672 -0.447 29 HG21 THR 5 HG21 THR 5 3.576 4.591 0.547 30 HG22 THR 5 HG22 THR 5 4.816 5.427 1.511 31 HG23 THR 5 HG23 THR 5 3.110 5.486 2.013 32 H ARG 6 H ARG 6 2.300 7.098 -2.726 33 HA ARG 6 HA ARG 6 2.768 9.847 -3.010 34 HB2 ARG 6 HB2 ARG 6 2.446 7.718 -4.683 35 HB3 ARG 6 HB3 ARG 6 0.963 8.648 -5.005 36 HG2 ARG 6 HG2 ARG 6 2.086 10.369 -5.989 37 HG3 ARG 6 HG3 ARG 6 3.509 10.182 -4.937 38 HD2 ARG 6 HD2 ARG 6 2.761 8.378 -7.268 39 HD3 ARG 6 HD3 ARG 6 4.044 9.611 -7.275 40 HE ARG 6 HE ARG 6 4.692 7.980 -5.151 41 HH11 ARG 6 HH11 ARG 6 4.037 7.491 -8.569 42 HH12 ARG 6 HH12 ARG 6 5.103 6.105 -8.698 43 HH21 ARG 6 HH21 ARG 6 6.072 6.186 -5.329 44 HH22 ARG 6 HH22 ARG 6 6.252 5.368 -6.869 45 H GLN 7 H GLN 7 -0.432 8.232 -3.344 46 HA GLN 7 HA GLN 7 -1.829 10.774 -3.276 47 HB2 GLN 7 HB2 GLN 7 -2.650 8.755 -4.441 48 HB3 GLN 7 HB3 GLN 7 -2.845 7.955 -2.864 49 HG2 GLN 7 HG2 GLN 7 -4.698 9.197 -2.302 50 HG3 GLN 7 HG3 GLN 7 -4.191 10.594 -3.281 51 HE21 GLN 7 HE22 GLN 7 -5.444 10.988 -4.972 52 HE22 GLN 7 HE21 GLN 7 -6.323 9.787 -5.898 53 H ALA 8 H ALA 8 -0.793 8.443 -0.867 54 HA ALA 8 HA ALA 8 -2.547 9.091 1.226 55 HB1 ALA 8 HB1 ALA 8 0.414 8.427 1.391 56 HB2 ALA 8 HB2 ALA 8 -0.761 8.314 2.723 57 HB3 ALA 8 HB3 ALA 8 -0.916 7.247 1.307 58 H ARG 9 H ARG 9 0.626 10.607 0.479 59 HA ARG 9 HA ARG 9 0.435 12.585 2.538 60 HB2 ARG 9 HB2 ARG 9 2.009 12.249 0.011 61 HB3 ARG 9 HB3 ARG 9 2.032 13.809 0.866 62 HG2 ARG 9 HG2 ARG 9 2.726 11.147 2.143 63 HG3 ARG 9 HG3 ARG 9 3.926 12.267 1.456 64 HD2 ARG 9 HD2 ARG 9 2.965 14.040 3.017 65 HD3 ARG 9 HD3 ARG 9 2.081 12.720 3.819 66 HE ARG 9 HE ARG 9 4.715 11.876 3.774 67 HH11 ARG 9 HH11 ARG 9 2.976 14.682 4.975 68 HH12 ARG 9 HH12 ARG 9 4.090 14.957 6.300 69 HH21 ARG 9 HH21 ARG 9 6.154 12.238 5.494 70 HH22 ARG 9 HH22 ARG 9 5.885 13.577 6.594 71 H ARG 10 H ARG 10 -0.897 12.402 -0.711 72 HA ARG 10 HA ARG 10 -1.536 15.233 -0.876 73 HB2 ARG 10 HB2 ARG 10 -1.230 13.732 -2.828 74 HB3 ARG 10 HB3 ARG 10 -2.712 12.869 -2.352 75 HG2 ARG 10 HG2 ARG 10 -3.892 15.131 -2.519 76 HG3 ARG 10 HG3 ARG 10 -2.425 15.714 -3.340 77 HD2 ARG 10 HD2 ARG 10 -2.703 13.795 -4.971 78 HD3 ARG 10 HD3 ARG 10 -4.292 13.492 -4.230 79 HE ARG 10 HE ARG 10 -5.145 15.295 -5.379 80 HH11 ARG 10 HH11 ARG 10 -1.637 15.467 -5.350 81 HH12 ARG 10 HH12 ARG 10 -1.573 16.823 -6.460 82 HH21 ARG 10 HH21 ARG 10 -5.055 17.051 -6.816 83 HH22 ARG 10 HH22 ARG 10 -3.504 17.717 -7.288 84 H ASN 11 H ASN 11 -3.103 12.377 0.447 85 HA ASN 11 HA ASN 11 -5.728 13.607 0.653 86 HB2 ASN 11 HB2 ASN 11 -4.516 11.235 2.118 87 HB3 ASN 11 HB3 ASN 11 -6.241 11.674 2.082 88 HD21 ASN 11 HD22 ASN 11 -5.329 9.150 1.301 89 HD22 ASN 11 HD21 ASN 11 -5.577 8.971 -0.425 90 H ARG 12 H ARG 12 -2.993 13.110 2.904 91 HA ARG 12 HA ARG 12 -4.205 14.107 5.239 92 HB2 ARG 12 HB2 ARG 12 -1.423 13.967 4.171 93 HB3 ARG 12 HB3 ARG 12 -1.732 14.988 5.596 94 HG2 ARG 12 HG2 ARG 12 -1.130 12.949 6.548 95 HG3 ARG 12 HG3 ARG 12 -2.908 12.888 6.562 96 HD2 ARG 12 HD2 ARG 12 -2.886 11.551 4.495 97 HD3 ARG 12 HD3 ARG 12 -1.108 11.624 4.462 98 HE ARG 12 HE ARG 12 -1.608 10.534 6.907 99 HH11 ARG 12 HH11 ARG 12 -2.732 9.798 3.661 100 HH12 ARG 12 HH12 ARG 12 -2.918 8.085 3.983 101 HH21 ARG 12 HH21 ARG 12 -1.853 8.313 7.316 102 HH22 ARG 12 HH22 ARG 12 -2.422 7.246 6.047 103 H ARG 13 H ARG 13 -2.469 15.923 2.682 104 HA ARG 13 HA ARG 13 -2.917 18.482 3.953 105 HB2 ARG 13 HB2 ARG 13 -2.209 19.393 1.785 106 HB3 ARG 13 HB3 ARG 13 -1.083 18.177 2.434 107 HG2 ARG 13 HG2 ARG 13 -1.949 16.499 0.906 108 HG3 ARG 13 HG3 ARG 13 -3.186 17.634 0.315 109 HD2 ARG 13 HD2 ARG 13 -0.304 18.448 0.154 110 HD3 ARG 13 HD3 ARG 13 -0.909 17.246 -1.010 111 HE ARG 13 HE ARG 13 -2.699 19.459 -0.920 112 HH11 ARG 13 HH11 ARG 13 0.526 18.577 -1.995 113 HH12 ARG 13 HH12 ARG 13 0.547 19.754 -3.294 114 HH21 ARG 13 HH21 ARG 13 -2.666 20.980 -2.604 115 HH22 ARG 13 HH22 ARG 13 -1.257 21.112 -3.638 116 H ARG 14 H ARG 14 -4.785 16.454 1.788 117 HA ARG 14 HA ARG 14 -6.561 18.529 0.856 118 HB2 ARG 14 HB2 ARG 14 -6.128 16.167 -0.076 119 HB3 ARG 14 HB3 ARG 14 -7.268 15.622 1.177 120 HG2 ARG 14 HG2 ARG 14 -9.064 16.827 0.222 121 HG3 ARG 14 HG3 ARG 14 -7.976 17.796 -0.800 122 HD2 ARG 14 HD2 ARG 14 -7.710 16.118 -2.354 123 HD3 ARG 14 HD3 ARG 14 -7.958 14.824 -1.157 124 HE ARG 14 HE ARG 14 -10.227 14.871 -1.595 125 HH11 ARG 14 HH11 ARG 14 -8.681 17.729 -2.935 126 HH12 ARG 14 HH12 ARG 14 -10.110 18.239 -3.810 127 HH21 ARG 14 HH21 ARG 14 -12.074 15.542 -2.732 128 HH22 ARG 14 HH22 ARG 14 -12.027 17.005 -3.696 129 H ARG 15 H ARG 15 -6.831 16.091 3.474 130 HA ARG 15 HA ARG 15 -9.410 16.812 4.365 131 HB2 ARG 15 HB2 ARG 15 -6.979 15.709 5.761 132 HB3 ARG 15 HB3 ARG 15 -8.507 16.014 6.621 133 HG2 ARG 15 HG2 ARG 15 -9.681 14.428 5.266 134 HG3 ARG 15 HG3 ARG 15 -8.299 14.266 4.156 135 HD2 ARG 15 HD2 ARG 15 -6.959 13.257 5.950 136 HD3 ARG 15 HD3 ARG 15 -8.317 13.449 7.085 137 HE ARG 15 HE ARG 15 -9.020 11.920 4.725 138 HH11 ARG 15 HH11 ARG 15 -7.536 11.798 7.907 139 HH12 ARG 15 HH12 ARG 15 -7.866 10.091 8.130 140 HH21 ARG 15 HH21 ARG 15 -9.445 9.708 5.021 141 HH22 ARG 15 HH22 ARG 15 -8.945 8.910 6.499 142 H TRP 16 H TRP 16 -6.322 18.424 4.823 143 HA TRP 16 HA TRP 16 -7.188 20.107 7.009 144 HB2 TRP 16 HB2 TRP 16 -4.783 19.634 6.428 145 HB3 TRP 16 HB3 TRP 16 -4.984 20.627 4.965 146 HD1 TRP 16 HD1 TRP 16 -6.274 21.411 8.408 147 HE1 TRP 16 HE1 TRP 16 -5.179 23.744 9.229 148 HE3 TRP 16 HE3 TRP 16 -3.130 22.174 4.485 149 HZ2 TRP 16 HZ2 TRP 16 -3.289 25.489 8.231 150 HZ3 TRP 16 HZ3 TRP 16 -1.724 24.129 4.425 151 HH2 TRP 16 HH2 TRP 16 -1.753 25.809 6.261 152 H ARG 17 H ARG 17 -7.415 20.310 3.492 153 HA ARG 17 HA ARG 17 -8.199 23.112 3.489 154 HB2 ARG 17 HB2 ARG 17 -7.164 21.663 1.607 155 HB3 ARG 17 HB3 ARG 17 -8.834 21.109 1.342 156 HG2 ARG 17 HG2 ARG 17 -8.229 24.050 1.458 157 HG3 ARG 17 HG3 ARG 17 -7.877 23.135 -0.027 158 HD2 ARG 17 HD2 ARG 17 -10.284 22.286 0.098 159 HD3 ARG 17 HD3 ARG 17 -10.552 23.526 1.346 160 HE ARG 17 HE ARG 17 -10.667 25.108 -0.313 161 HH11 ARG 17 HH11 ARG 17 -8.986 22.273 -1.531 162 HH12 ARG 17 HH12 ARG 17 -8.877 22.891 -3.167 163 HH21 ARG 17 HH21 ARG 17 -10.526 25.899 -2.437 164 HH22 ARG 17 HH22 ARG 17 -9.747 24.939 -3.680 165 H GLU 18 H GLU 18 -10.016 20.069 2.859 166 HA GLU 18 HA GLU 18 -12.573 21.290 2.759 167 HB2 GLU 18 HB2 GLU 18 -11.634 18.524 3.511 168 HB3 GLU 18 HB3 GLU 18 -13.355 18.975 3.475 169 HG2 GLU 18 HG2 GLU 18 -13.224 19.498 1.123 170 HG3 GLU 18 HG3 GLU 18 -11.464 19.238 1.126 171 H ARG 19 H ARG 19 -10.563 20.377 5.498 172 HA ARG 19 HA ARG 19 -12.688 20.546 7.460 173 HB2 ARG 19 HB2 ARG 19 -10.677 19.269 7.878 174 HB3 ARG 19 HB3 ARG 19 -9.678 20.727 7.679 175 HG2 ARG 19 HG2 ARG 19 -10.634 21.715 9.671 176 HG3 ARG 19 HG3 ARG 19 -11.780 20.363 9.835 177 HD2 ARG 19 HD2 ARG 19 -8.824 19.805 9.776 178 HD3 ARG 19 HD3 ARG 19 -9.568 20.417 11.272 179 HE ARG 19 HE ARG 19 -9.838 17.762 10.127 180 HH11 ARG 19 HH11 ARG 19 -11.316 20.200 12.179 181 HH12 ARG 19 HH12 ARG 19 -12.262 19.037 13.088 182 HH21 ARG 19 HH21 ARG 19 -11.067 16.260 11.310 183 HH22 ARG 19 HH22 ARG 19 -12.121 16.812 12.597 184 H GLN 20 H GLN 20 -10.481 22.857 5.970 185 HA GLN 20 HA GLN 20 -10.923 24.961 7.898 186 HB2 GLN 20 HB2 GLN 20 -9.144 24.576 5.946 187 HB3 GLN 20 HB3 GLN 20 -10.320 25.566 5.048 188 HG2 GLN 20 HG2 GLN 20 -9.820 27.457 6.210 189 HG3 GLN 20 HG3 GLN 20 -9.563 26.574 7.733 190 HE21 GLN 20 HE22 GLN 20 -8.024 26.184 4.520 191 HE22 GLN 20 HE21 GLN 20 -6.391 26.496 5.076 192 H ARG 21 H ARG 21 -12.718 23.775 5.134 193 HA ARG 21 HA ARG 21 -14.246 26.025 4.458 194 HB2 ARG 21 HB2 ARG 21 -14.208 23.520 3.616 195 HB3 ARG 21 HB3 ARG 21 -15.574 23.365 4.746 196 HG2 ARG 21 HG2 ARG 21 -16.415 23.825 2.516 197 HG3 ARG 21 HG3 ARG 21 -16.721 25.222 3.576 198 HD2 ARG 21 HD2 ARG 21 -15.185 26.559 2.493 199 HD3 ARG 21 HD3 ARG 21 -14.178 25.180 1.992 200 HE ARG 21 HE ARG 21 -15.331 25.130 0.011 201 HH11 ARG 21 HH11 ARG 21 -17.298 26.728 2.444 202 HH12 ARG 21 HH12 ARG 21 -18.575 27.139 1.316 203 HH21 ARG 21 HH21 ARG 21 -16.989 25.664 -1.444 204 HH22 ARG 21 HH22 ARG 21 -18.401 26.538 -0.881 205 H ALA 22 H ALA 22 -14.462 23.973 7.317 206 HA ALA 22 HA ALA 22 -17.033 24.922 8.168 207 HB1 ALA 22 HB1 ALA 22 -14.732 23.782 9.790 208 HB2 ALA 22 HB2 ALA 22 -16.417 23.951 10.337 209 HB3 ALA 22 HB3 ALA 22 -16.021 22.839 9.004 210 H ALA 23 H ALA 23 -13.708 26.049 8.736 211 HA ALA 23 HA ALA 23 -14.631 28.130 10.572 212 HB1 ALA 23 HB1 ALA 23 -11.920 27.658 9.282 213 HB2 ALA 23 HB2 ALA 23 -12.268 28.802 10.600 214 HB3 ALA 23 HB3 ALA 23 -12.437 27.051 10.873 215 H ALA 24 H ALA 24 -13.080 28.113 7.325 216 HA ALA 24 HA ALA 24 -13.364 30.893 6.883 217 HB1 ALA 24 HB1 ALA 24 -13.338 28.628 4.858 218 HB2 ALA 24 HB2 ALA 24 -13.029 30.346 4.512 219 HB3 ALA 24 HB3 ALA 24 -11.905 29.430 5.544 220 H ALA 25 H ALA 25 -15.554 28.188 6.056 221 HA ALA 25 HA ALA 25 -17.597 30.217 5.297 222 HB1 ALA 25 HB1 ALA 25 -17.483 27.230 4.751 223 HB2 ALA 25 HB2 ALA 25 -18.742 28.351 4.181 224 HB3 ALA 25 HB3 ALA 25 -17.070 28.517 3.594 225 H ARG 26 H ARG 26 -19.067 30.747 6.736 226 HA ARG 26 HA ARG 26 -19.478 29.128 9.130 227 HB2 ARG 26 HB2 ARG 26 -20.861 31.594 8.054 228 HB3 ARG 26 HB3 ARG 26 -21.179 30.854 9.641 229 HG2 ARG 26 HG2 ARG 26 -18.844 31.267 10.299 230 HG3 ARG 26 HG3 ARG 26 -18.532 32.013 8.714 231 HD2 ARG 26 HD2 ARG 26 -20.410 33.007 10.885 232 HD3 ARG 26 HD3 ARG 26 -18.910 33.780 10.318 233 HE ARG 26 HE ARG 26 -20.492 33.607 8.062 234 HH11 ARG 26 HH11 ARG 26 -20.839 34.967 11.282 235 HH12 ARG 26 HH12 ARG 26 -21.906 36.254 10.756 236 HH21 ARG 26 HH21 ARG 26 -21.876 35.276 7.387 237 HH22 ARG 26 HH22 ARG 26 -22.492 36.429 8.555 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 1.580 1.629 -0.697 2 H2 GLY 1 H2 GLY 1 1.855 0.015 -0.569 3 H3 GLY 1 H3 GLY 1 0.359 0.658 -1.209 4 HA2 GLY 1 HA2 GLY 1 2.617 -0.158 -2.482 5 HA3 GLY 1 HA3 GLY 1 1.095 0.495 -3.133 6 H ALA 2 H ALA 2 3.499 1.024 -4.402 7 HA ALA 2 HA ALA 2 4.803 3.392 -3.593 8 HB1 ALA 2 HB1 ALA 2 4.281 2.375 -6.409 9 HB2 ALA 2 HB2 ALA 2 5.510 3.573 -5.939 10 HB3 ALA 2 HB3 ALA 2 5.637 1.894 -5.362 11 H MET 3 H MET 3 1.751 2.922 -5.321 12 HA MET 3 HA MET 3 1.484 5.778 -5.924 13 HB2 MET 3 HB2 MET 3 0.563 4.027 -7.385 14 HB3 MET 3 HB3 MET 3 -0.499 3.496 -6.059 15 HG2 MET 3 HG2 MET 3 -1.785 4.855 -7.573 16 HG3 MET 3 HG3 MET 3 -1.546 5.751 -6.054 17 HE1 MET 3 HE1 MET 3 -2.559 7.260 -8.608 18 HE2 MET 3 HE2 MET 3 -1.327 7.841 -9.753 19 HE3 MET 3 HE3 MET 3 -1.747 6.112 -9.698 20 H ALA 4 H ALA 4 0.543 3.572 -3.359 21 HA ALA 4 HA ALA 4 -1.428 5.372 -2.230 22 HB1 ALA 4 HB1 ALA 4 0.040 3.012 -1.001 23 HB2 ALA 4 HB2 ALA 4 -1.395 3.820 -0.326 24 HB3 ALA 4 HB3 ALA 4 -1.513 2.937 -1.866 25 H THR 5 H THR 5 1.943 4.496 -1.358 26 HA THR 5 HA THR 5 2.164 6.234 0.882 27 HB THR 5 HB THR 5 3.825 4.456 0.254 28 HG1 THR 5 HG1 THR 5 5.634 5.768 0.861 29 HG21 THR 5 HG21 THR 5 4.686 6.519 -1.815 30 HG22 THR 5 HG22 THR 5 5.562 5.024 -1.410 31 HG23 THR 5 HG23 THR 5 3.954 4.935 -2.167 32 H ARG 6 H ARG 6 2.376 6.904 -2.573 33 HA ARG 6 HA ARG 6 3.457 9.583 -2.170 34 HB2 ARG 6 HB2 ARG 6 3.471 7.933 -4.248 35 HB3 ARG 6 HB3 ARG 6 1.952 8.785 -4.619 36 HG2 ARG 6 HG2 ARG 6 4.533 10.252 -4.039 37 HG3 ARG 6 HG3 ARG 6 4.105 9.699 -5.676 38 HD2 ARG 6 HD2 ARG 6 1.853 10.937 -5.246 39 HD3 ARG 6 HD3 ARG 6 2.742 11.763 -3.944 40 HE ARG 6 HE ARG 6 3.916 12.973 -5.526 41 HH11 ARG 6 HH11 ARG 6 2.213 10.309 -7.056 42 HH12 ARG 6 HH12 ARG 6 2.544 10.871 -8.683 43 HH21 ARG 6 HH21 ARG 6 4.340 13.697 -7.638 44 HH22 ARG 6 HH22 ARG 6 3.745 12.785 -9.012 45 H GLN 7 H GLN 7 0.269 8.407 -3.363 46 HA GLN 7 HA GLN 7 -1.017 10.922 -3.262 47 HB2 GLN 7 HB2 GLN 7 -1.767 8.651 -4.245 48 HB3 GLN 7 HB3 GLN 7 -2.400 8.333 -2.613 49 HG2 GLN 7 HG2 GLN 7 -4.262 9.208 -3.704 50 HG3 GLN 7 HG3 GLN 7 -3.584 10.638 -2.891 51 HE21 GLN 7 HE22 GLN 7 -4.947 11.737 -4.555 52 HE22 GLN 7 HE21 GLN 7 -4.221 12.046 -6.121 53 H ALA 8 H ALA 8 -0.216 8.687 -0.686 54 HA ALA 8 HA ALA 8 -2.041 9.495 1.276 55 HB1 ALA 8 HB1 ALA 8 0.894 8.791 1.630 56 HB2 ALA 8 HB2 ALA 8 -0.348 8.775 2.904 57 HB3 ALA 8 HB3 ALA 8 -0.453 7.631 1.545 58 H ARG 9 H ARG 9 0.807 11.175 0.050 59 HA ARG 9 HA ARG 9 0.870 13.145 2.181 60 HB2 ARG 9 HB2 ARG 9 2.647 12.373 0.361 61 HB3 ARG 9 HB3 ARG 9 1.912 13.711 -0.553 62 HG2 ARG 9 HG2 ARG 9 3.755 14.679 0.557 63 HG3 ARG 9 HG3 ARG 9 2.333 15.149 1.520 64 HD2 ARG 9 HD2 ARG 9 2.882 13.736 3.275 65 HD3 ARG 9 HD3 ARG 9 3.809 12.631 2.234 66 HE ARG 9 HE ARG 9 5.034 15.242 2.427 67 HH11 ARG 9 HH11 ARG 9 4.611 12.153 4.047 68 HH12 ARG 9 HH12 ARG 9 6.111 12.282 4.946 69 HH21 ARG 9 HH21 ARG 9 6.977 15.398 3.592 70 HH22 ARG 9 HH22 ARG 9 7.447 14.114 4.689 71 H ARG 10 H ARG 10 -0.878 12.798 -0.845 72 HA ARG 10 HA ARG 10 -1.712 15.610 -0.882 73 HB2 ARG 10 HB2 ARG 10 -2.588 13.170 -2.440 74 HB3 ARG 10 HB3 ARG 10 -3.190 14.822 -2.714 75 HG2 ARG 10 HG2 ARG 10 -0.550 15.294 -2.890 76 HG3 ARG 10 HG3 ARG 10 -0.565 13.592 -3.410 77 HD2 ARG 10 HD2 ARG 10 -0.846 14.705 -5.434 78 HD3 ARG 10 HD3 ARG 10 -2.530 14.370 -4.965 79 HE ARG 10 HE ARG 10 -1.563 16.946 -4.038 80 HH11 ARG 10 HH11 ARG 10 -2.979 15.172 -6.719 81 HH12 ARG 10 HH12 ARG 10 -3.706 16.597 -7.437 82 HH21 ARG 10 HH21 ARG 10 -2.509 18.789 -4.974 83 HH22 ARG 10 HH22 ARG 10 -3.440 18.639 -6.452 84 H ASN 11 H ASN 11 -2.941 12.534 0.320 85 HA ASN 11 HA ASN 11 -5.613 13.636 0.840 86 HB2 ASN 11 HB2 ASN 11 -4.247 11.027 1.572 87 HB3 ASN 11 HB3 ASN 11 -5.924 11.431 2.008 88 HD21 ASN 11 HD22 ASN 11 -4.929 9.228 0.347 89 HD22 ASN 11 HD21 ASN 11 -5.680 9.428 -1.224 90 H ARG 12 H ARG 12 -2.578 13.220 2.563 91 HA ARG 12 HA ARG 12 -3.692 13.595 5.205 92 HB2 ARG 12 HB2 ARG 12 -1.568 12.524 4.937 93 HB3 ARG 12 HB3 ARG 12 -0.920 13.923 4.049 94 HG2 ARG 12 HG2 ARG 12 -1.938 14.653 6.686 95 HG3 ARG 12 HG3 ARG 12 -0.661 13.416 6.777 96 HD2 ARG 12 HD2 ARG 12 0.937 14.802 5.792 97 HD3 ARG 12 HD3 ARG 12 -0.290 15.838 5.024 98 HE ARG 12 HE ARG 12 -0.406 17.112 6.951 99 HH11 ARG 12 HH11 ARG 12 1.320 14.117 7.581 100 HH12 ARG 12 HH12 ARG 12 1.849 14.616 9.176 101 HH21 ARG 12 HH21 ARG 12 0.287 17.752 9.017 102 HH22 ARG 12 HH22 ARG 12 1.266 16.669 9.987 103 H ARG 13 H ARG 13 -2.368 15.779 2.728 104 HA ARG 13 HA ARG 13 -2.519 18.110 4.474 105 HB2 ARG 13 HB2 ARG 13 -2.025 19.354 2.436 106 HB3 ARG 13 HB3 ARG 13 -0.893 18.005 2.689 107 HG2 ARG 13 HG2 ARG 13 -2.142 16.660 1.043 108 HG3 ARG 13 HG3 ARG 13 -3.252 18.025 0.779 109 HD2 ARG 13 HD2 ARG 13 -1.760 18.294 -0.984 110 HD3 ARG 13 HD3 ARG 13 -1.044 19.351 0.256 111 HE ARG 13 HE ARG 13 0.125 16.836 0.603 112 HH11 ARG 13 HH11 ARG 13 -0.106 19.278 -1.913 113 HH12 ARG 13 HH12 ARG 13 1.452 18.881 -2.610 114 HH21 ARG 13 HH21 ARG 13 2.144 16.329 -0.306 115 HH22 ARG 13 HH22 ARG 13 2.724 17.215 -1.702 116 H ARG 14 H ARG 14 -4.556 16.671 1.930 117 HA ARG 14 HA ARG 14 -6.405 18.777 1.629 118 HB2 ARG 14 HB2 ARG 14 -6.120 16.333 0.563 119 HB3 ARG 14 HB3 ARG 14 -7.432 15.992 1.717 120 HG2 ARG 14 HG2 ARG 14 -8.947 17.306 0.605 121 HG3 ARG 14 HG3 ARG 14 -7.695 18.402 -0.027 122 HD2 ARG 14 HD2 ARG 14 -8.241 17.298 -1.970 123 HD3 ARG 14 HD3 ARG 14 -6.969 16.212 -1.362 124 HE ARG 14 HE ARG 14 -8.547 14.560 -1.187 125 HH11 ARG 14 HH11 ARG 14 -10.148 17.685 -1.104 126 HH12 ARG 14 HH12 ARG 14 -11.759 16.996 -1.075 127 HH21 ARG 14 HH21 ARG 14 -10.639 13.672 -1.150 128 HH22 ARG 14 HH22 ARG 14 -12.037 14.729 -1.101 129 H ARG 15 H ARG 15 -6.075 16.400 4.219 130 HA ARG 15 HA ARG 15 -8.594 16.632 5.438 131 HB2 ARG 15 HB2 ARG 15 -5.811 16.142 6.425 132 HB3 ARG 15 HB3 ARG 15 -7.125 16.397 7.597 133 HG2 ARG 15 HG2 ARG 15 -7.209 14.318 5.393 134 HG3 ARG 15 HG3 ARG 15 -6.628 13.983 7.042 135 HD2 ARG 15 HD2 ARG 15 -9.397 14.999 6.301 136 HD3 ARG 15 HD3 ARG 15 -8.993 13.329 6.766 137 HE ARG 15 HE ARG 15 -9.361 15.607 8.523 138 HH11 ARG 15 HH11 ARG 15 -7.791 12.491 8.116 139 HH12 ARG 15 HH12 ARG 15 -7.653 12.198 9.839 140 HH21 ARG 15 HH21 ARG 15 -9.179 15.220 10.755 141 HH22 ARG 15 HH22 ARG 15 -8.437 13.739 11.329 142 H TRP 16 H TRP 16 -5.718 18.723 5.886 143 HA TRP 16 HA TRP 16 -6.965 20.457 7.796 144 HB2 TRP 16 HB2 TRP 16 -4.693 21.010 5.838 145 HB3 TRP 16 HB3 TRP 16 -5.100 21.991 7.266 146 HD1 TRP 16 HD1 TRP 16 -2.680 19.808 6.283 147 HE1 TRP 16 HE1 TRP 16 -1.593 18.393 8.317 148 HE3 TRP 16 HE3 TRP 16 -6.328 20.562 9.744 149 HZ2 TRP 16 HZ2 TRP 16 -2.317 17.808 10.913 150 HZ3 TRP 16 HZ3 TRP 16 -6.130 19.594 11.941 151 HH2 TRP 16 HH2 TRP 16 -4.158 18.217 12.582 152 H ARG 17 H ARG 17 -6.639 20.669 4.237 153 HA ARG 17 HA ARG 17 -7.866 23.212 3.945 154 HB2 ARG 17 HB2 ARG 17 -6.667 21.546 2.271 155 HB3 ARG 17 HB3 ARG 17 -8.344 21.045 1.949 156 HG2 ARG 17 HG2 ARG 17 -7.422 23.926 1.821 157 HG3 ARG 17 HG3 ARG 17 -7.388 22.836 0.414 158 HD2 ARG 17 HD2 ARG 17 -9.902 22.403 1.054 159 HD3 ARG 17 HD3 ARG 17 -9.748 23.953 1.914 160 HE ARG 17 HE ARG 17 -8.773 24.559 -0.552 161 HH11 ARG 17 HH11 ARG 17 -11.693 22.943 0.546 162 HH12 ARG 17 HH12 ARG 17 -12.652 23.484 -0.817 163 HH21 ARG 17 HH21 ARG 17 -10.022 25.259 -2.314 164 HH22 ARG 17 HH22 ARG 17 -11.708 24.793 -2.434 165 H GLU 18 H GLU 18 -9.303 19.941 4.076 166 HA GLU 18 HA GLU 18 -11.989 20.838 3.564 167 HB2 GLU 18 HB2 GLU 18 -10.733 18.379 4.748 168 HB3 GLU 18 HB3 GLU 18 -12.496 18.615 4.797 169 HG2 GLU 18 HG2 GLU 18 -12.260 19.049 2.247 170 HG3 GLU 18 HG3 GLU 18 -10.684 18.240 2.424 171 H ARG 19 H ARG 19 -10.066 20.453 6.523 172 HA ARG 19 HA ARG 19 -12.237 20.818 8.358 173 HB2 ARG 19 HB2 ARG 19 -9.932 19.934 8.848 174 HB3 ARG 19 HB3 ARG 19 -9.346 21.610 8.732 175 HG2 ARG 19 HG2 ARG 19 -11.242 22.066 10.504 176 HG3 ARG 19 HG3 ARG 19 -11.079 20.322 10.821 177 HD2 ARG 19 HD2 ARG 19 -9.637 21.539 12.349 178 HD3 ARG 19 HD3 ARG 19 -8.630 20.663 11.172 179 HE ARG 19 HE ARG 19 -8.903 23.136 10.034 180 HH11 ARG 19 HH11 ARG 19 -7.917 21.999 13.209 181 HH12 ARG 19 HH12 ARG 19 -6.832 23.346 13.489 182 HH21 ARG 19 HH21 ARG 19 -7.494 24.879 10.406 183 HH22 ARG 19 HH22 ARG 19 -6.593 24.973 11.906 184 H GLN 20 H GLN 20 -10.358 23.060 6.424 185 HA GLN 20 HA GLN 20 -11.157 25.409 7.957 186 HB2 GLN 20 HB2 GLN 20 -9.150 24.926 6.265 187 HB3 GLN 20 HB3 GLN 20 -10.331 25.577 5.104 188 HG2 GLN 20 HG2 GLN 20 -10.478 27.652 6.301 189 HG3 GLN 20 HG3 GLN 20 -9.522 27.004 7.655 190 HE21 GLN 20 HE22 GLN 20 -7.292 26.089 6.894 191 HE22 GLN 20 HE21 GLN 20 -6.389 27.152 5.833 192 H ARG 21 H ARG 21 -12.503 23.531 5.324 193 HA ARG 21 HA ARG 21 -14.203 25.412 4.125 194 HB2 ARG 21 HB2 ARG 21 -13.774 22.837 3.739 195 HB3 ARG 21 HB3 ARG 21 -15.218 22.676 4.767 196 HG2 ARG 21 HG2 ARG 21 -16.172 24.491 3.070 197 HG3 ARG 21 HG3 ARG 21 -14.940 23.780 2.000 198 HD2 ARG 21 HD2 ARG 21 -15.929 21.504 2.617 199 HD3 ARG 21 HD3 ARG 21 -17.288 22.402 3.334 200 HE ARG 21 HE ARG 21 -16.818 21.902 0.538 201 HH11 ARG 21 HH11 ARG 21 -18.114 24.240 2.819 202 HH12 ARG 21 HH12 ARG 21 -19.229 24.934 1.658 203 HH21 ARG 21 HH21 ARG 21 -18.267 22.807 -0.959 204 HH22 ARG 21 HH22 ARG 21 -19.316 24.125 -0.475 205 H ALA 22 H ALA 22 -14.461 23.873 7.282 206 HA ALA 22 HA ALA 22 -17.208 24.546 7.736 207 HB1 ALA 22 HB1 ALA 22 -14.948 24.116 9.721 208 HB2 ALA 22 HB2 ALA 22 -16.688 24.107 10.096 209 HB3 ALA 22 HB3 ALA 22 -15.998 22.847 9.045 210 H ALA 23 H ALA 23 -14.155 26.270 8.371 211 HA ALA 23 HA ALA 23 -15.588 28.493 9.628 212 HB1 ALA 23 HB1 ALA 23 -12.681 28.200 8.792 213 HB2 ALA 23 HB2 ALA 23 -13.356 29.507 9.794 214 HB3 ALA 23 HB3 ALA 23 -13.344 27.835 10.403 215 H ALA 24 H ALA 24 -13.592 28.096 6.661 216 HA ALA 24 HA ALA 24 -14.157 30.669 5.622 217 HB1 ALA 24 HB1 ALA 24 -13.542 28.094 4.130 218 HB2 ALA 24 HB2 ALA 24 -13.407 29.742 3.474 219 HB3 ALA 24 HB3 ALA 24 -12.340 29.222 4.800 220 H ALA 25 H ALA 25 -15.842 27.553 5.130 221 HA ALA 25 HA ALA 25 -18.002 29.072 3.747 222 HB1 ALA 25 HB1 ALA 25 -17.396 26.094 3.773 223 HB2 ALA 25 HB2 ALA 25 -18.702 26.889 2.862 224 HB3 ALA 25 HB3 ALA 25 -17.002 27.226 2.458 225 H ARG 26 H ARG 26 -19.843 29.457 4.745 226 HA ARG 26 HA ARG 26 -20.409 27.965 7.263 227 HB2 ARG 26 HB2 ARG 26 -21.310 30.607 6.122 228 HB3 ARG 26 HB3 ARG 26 -22.142 29.825 7.488 229 HG2 ARG 26 HG2 ARG 26 -19.765 29.738 8.556 230 HG3 ARG 26 HG3 ARG 26 -19.366 30.990 7.355 231 HD2 ARG 26 HD2 ARG 26 -21.726 31.200 9.250 232 HD3 ARG 26 HD3 ARG 26 -20.111 31.839 9.637 233 HE ARG 26 HE ARG 26 -21.142 32.772 7.088 234 HH11 ARG 26 HH11 ARG 26 -21.109 33.276 10.565 235 HH12 ARG 26 HH12 ARG 26 -21.500 34.980 10.444 236 HH21 ARG 26 HH21 ARG 26 -21.646 34.983 6.939 237 HH22 ARG 26 HH22 ARG 26 -21.804 35.945 8.396 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 3.807 -0.574 -1.952 2 H2 GLY 1 H2 GLY 1 2.366 -1.204 -2.426 3 H3 GLY 1 H3 GLY 1 3.266 -1.850 -1.072 4 HA2 GLY 1 HA2 GLY 1 1.257 -0.022 -1.145 5 HA3 GLY 1 HA3 GLY 1 2.172 -0.680 0.233 6 H ALA 2 H ALA 2 4.756 0.307 -0.893 7 HA ALA 2 HA ALA 2 4.853 2.804 0.436 8 HB1 ALA 2 HB1 ALA 2 6.715 1.697 -1.694 9 HB2 ALA 2 HB2 ALA 2 7.085 3.022 -0.565 10 HB3 ALA 2 HB3 ALA 2 6.821 1.374 0.053 11 H MET 3 H MET 3 4.258 2.001 -2.962 12 HA MET 3 HA MET 3 4.538 4.652 -3.998 13 HB2 MET 3 HB2 MET 3 4.321 2.350 -5.180 14 HB3 MET 3 HB3 MET 3 2.570 2.642 -5.046 15 HG2 MET 3 HG2 MET 3 4.357 4.756 -6.210 16 HG3 MET 3 HG3 MET 3 3.885 3.359 -7.206 17 HE1 MET 3 HE1 MET 3 2.650 4.776 -9.024 18 HE2 MET 3 HE2 MET 3 1.489 6.073 -8.657 19 HE3 MET 3 HE3 MET 3 3.196 6.249 -8.188 20 H ALA 4 H ALA 4 1.753 2.917 -2.599 21 HA ALA 4 HA ALA 4 -0.220 4.831 -3.192 22 HB1 ALA 4 HB1 ALA 4 0.030 3.078 -0.723 23 HB2 ALA 4 HB2 ALA 4 -1.455 3.874 -1.297 24 HB3 ALA 4 HB3 ALA 4 -0.695 2.596 -2.275 25 H THR 5 H THR 5 2.098 4.719 -0.487 26 HA THR 5 HA THR 5 1.034 6.893 1.012 27 HB THR 5 HB THR 5 4.006 6.547 0.790 28 HG1 THR 5 HG1 THR 5 3.835 4.632 2.076 29 HG21 THR 5 HG21 THR 5 2.061 6.726 3.128 30 HG22 THR 5 HG22 THR 5 3.836 6.716 3.250 31 HG23 THR 5 HG23 THR 5 3.007 8.076 2.457 32 H ARG 6 H ARG 6 3.021 6.862 -1.900 33 HA ARG 6 HA ARG 6 3.943 9.522 -1.861 34 HB2 ARG 6 HB2 ARG 6 4.203 7.493 -3.557 35 HB3 ARG 6 HB3 ARG 6 2.904 8.367 -4.404 36 HG2 ARG 6 HG2 ARG 6 4.953 9.129 -5.344 37 HG3 ARG 6 HG3 ARG 6 4.361 10.430 -4.284 38 HD2 ARG 6 HD2 ARG 6 6.810 10.012 -4.041 39 HD3 ARG 6 HD3 ARG 6 5.905 9.766 -2.528 40 HE ARG 6 HE ARG 6 6.290 7.340 -4.097 41 HH11 ARG 6 HH11 ARG 6 7.616 9.487 -1.652 42 HH12 ARG 6 HH12 ARG 6 8.629 8.247 -0.938 43 HH21 ARG 6 HH21 ARG 6 7.605 5.739 -3.166 44 HH22 ARG 6 HH22 ARG 6 8.623 6.129 -1.793 45 H GLN 7 H GLN 7 0.959 8.338 -3.490 46 HA GLN 7 HA GLN 7 -0.021 10.985 -4.010 47 HB2 GLN 7 HB2 GLN 7 -0.684 8.867 -5.176 48 HB3 GLN 7 HB3 GLN 7 -1.601 8.424 -3.716 49 HG2 GLN 7 HG2 GLN 7 -3.175 9.366 -5.242 50 HG3 GLN 7 HG3 GLN 7 -2.873 10.598 -3.994 51 HE21 GLN 7 HE22 GLN 7 -2.520 12.600 -4.684 52 HE22 GLN 7 HE21 GLN 7 -1.943 13.043 -6.279 53 H ALA 8 H ALA 8 -0.187 8.888 -1.206 54 HA ALA 8 HA ALA 8 -2.422 9.955 0.100 55 HB1 ALA 8 HB1 ALA 8 0.219 9.082 1.323 56 HB2 ALA 8 HB2 ALA 8 -1.332 9.239 2.182 57 HB3 ALA 8 HB3 ALA 8 -1.141 8.012 0.907 58 H ARG 9 H ARG 9 0.738 11.390 -0.420 59 HA ARG 9 HA ARG 9 0.677 13.382 1.597 60 HB2 ARG 9 HB2 ARG 9 2.541 12.716 -0.034 61 HB3 ARG 9 HB3 ARG 9 1.736 13.803 -1.190 62 HG2 ARG 9 HG2 ARG 9 3.420 15.121 -0.198 63 HG3 ARG 9 HG3 ARG 9 1.914 15.601 0.621 64 HD2 ARG 9 HD2 ARG 9 2.532 13.855 2.405 65 HD3 ARG 9 HD3 ARG 9 4.148 13.839 1.660 66 HE ARG 9 HE ARG 9 3.185 16.501 2.348 67 HH11 ARG 9 HH11 ARG 9 4.861 13.621 3.463 68 HH12 ARG 9 HH12 ARG 9 5.733 14.471 4.725 69 HH21 ARG 9 HH21 ARG 9 4.318 17.594 3.984 70 HH22 ARG 9 HH22 ARG 9 5.426 16.715 5.019 71 H ARG 10 H ARG 10 -0.922 13.228 -1.559 72 HA ARG 10 HA ARG 10 -1.818 16.005 -1.431 73 HB2 ARG 10 HB2 ARG 10 -1.418 14.442 -3.482 74 HB3 ARG 10 HB3 ARG 10 -3.062 13.864 -3.123 75 HG2 ARG 10 HG2 ARG 10 -3.400 15.545 -4.720 76 HG3 ARG 10 HG3 ARG 10 -3.736 16.350 -3.168 77 HD2 ARG 10 HD2 ARG 10 -2.367 17.916 -4.197 78 HD3 ARG 10 HD3 ARG 10 -1.177 16.968 -3.275 79 HE ARG 10 HE ARG 10 -0.252 16.236 -5.256 80 HH11 ARG 10 HH11 ARG 10 -3.425 17.618 -5.861 81 HH12 ARG 10 HH12 ARG 10 -3.255 17.556 -7.605 82 HH21 ARG 10 HH21 ARG 10 -0.037 16.161 -7.517 83 HH22 ARG 10 HH22 ARG 10 -1.341 16.733 -8.540 84 H ASN 11 H ASN 11 -3.199 12.808 -0.693 85 HA ASN 11 HA ASN 11 -5.880 13.589 -0.295 86 HB2 ASN 11 HB2 ASN 11 -4.113 11.435 0.838 87 HB3 ASN 11 HB3 ASN 11 -5.743 11.684 1.508 88 HD21 ASN 11 HD22 ASN 11 -3.982 11.192 -1.572 89 HD22 ASN 11 HD21 ASN 11 -5.262 10.287 -2.357 90 H ARG 12 H ARG 12 -3.072 13.915 1.850 91 HA ARG 12 HA ARG 12 -4.457 14.610 4.222 92 HB2 ARG 12 HB2 ARG 12 -1.947 14.170 3.760 93 HB3 ARG 12 HB3 ARG 12 -1.883 15.905 3.369 94 HG2 ARG 12 HG2 ARG 12 -1.226 15.657 5.660 95 HG3 ARG 12 HG3 ARG 12 -2.856 16.373 5.636 96 HD2 ARG 12 HD2 ARG 12 -3.858 14.209 6.128 97 HD3 ARG 12 HD3 ARG 12 -2.268 13.415 6.027 98 HE ARG 12 HE ARG 12 -2.388 15.539 8.010 99 HH11 ARG 12 HH11 ARG 12 -2.996 12.143 7.343 100 HH12 ARG 12 HH12 ARG 12 -2.861 11.664 9.024 101 HH21 ARG 12 HH21 ARG 12 -2.212 14.909 10.184 102 HH22 ARG 12 HH22 ARG 12 -2.418 13.226 10.629 103 H ARG 13 H ARG 13 -3.379 16.665 1.500 104 HA ARG 13 HA ARG 13 -4.287 19.122 2.701 105 HB2 ARG 13 HB2 ARG 13 -3.720 18.286 -0.146 106 HB3 ARG 13 HB3 ARG 13 -4.185 19.938 0.323 107 HG2 ARG 13 HG2 ARG 13 -2.182 20.328 1.443 108 HG3 ARG 13 HG3 ARG 13 -1.845 18.592 1.649 109 HD2 ARG 13 HD2 ARG 13 -0.322 19.278 -0.013 110 HD3 ARG 13 HD3 ARG 13 -1.650 18.520 -0.923 111 HE ARG 13 HE ARG 13 -2.130 20.560 -1.887 112 HH11 ARG 13 HH11 ARG 13 -0.058 21.021 0.913 113 HH12 ARG 13 HH12 ARG 13 0.205 22.724 0.589 114 HH21 ARG 13 HH21 ARG 13 -1.781 22.765 -2.302 115 HH22 ARG 13 HH22 ARG 13 -0.768 23.709 -1.227 116 H ARG 14 H ARG 14 -5.849 16.637 0.737 117 HA ARG 14 HA ARG 14 -8.153 18.124 -0.026 118 HB2 ARG 14 HB2 ARG 14 -7.855 15.180 0.606 119 HB3 ARG 14 HB3 ARG 14 -9.229 15.928 -0.243 120 HG2 ARG 14 HG2 ARG 14 -7.554 16.741 -1.970 121 HG3 ARG 14 HG3 ARG 14 -6.360 15.682 -1.184 122 HD2 ARG 14 HD2 ARG 14 -7.154 14.270 -2.835 123 HD3 ARG 14 HD3 ARG 14 -8.250 13.857 -1.495 124 HE ARG 14 HE ARG 14 -9.385 15.974 -3.023 125 HH11 ARG 14 HH11 ARG 14 -8.636 12.545 -3.213 126 HH12 ARG 14 HH12 ARG 14 -9.942 12.199 -4.330 127 HH21 ARG 14 HH21 ARG 14 -11.076 15.515 -4.467 128 HH22 ARG 14 HH22 ARG 14 -11.320 13.876 -5.038 129 H ARG 15 H ARG 15 -7.710 15.910 2.774 130 HA ARG 15 HA ARG 15 -10.271 16.573 3.919 131 HB2 ARG 15 HB2 ARG 15 -9.469 15.400 5.868 132 HB3 ARG 15 HB3 ARG 15 -9.082 14.491 4.388 133 HG2 ARG 15 HG2 ARG 15 -6.777 15.143 4.499 134 HG3 ARG 15 HG3 ARG 15 -7.109 16.295 5.814 135 HD2 ARG 15 HD2 ARG 15 -7.455 13.280 6.001 136 HD3 ARG 15 HD3 ARG 15 -6.057 14.188 6.624 137 HE ARG 15 HE ARG 15 -8.694 13.963 7.826 138 HH11 ARG 15 HH11 ARG 15 -5.775 15.900 7.563 139 HH12 ARG 15 HH12 ARG 15 -6.004 16.676 9.118 140 HH21 ARG 15 HH21 ARG 15 -8.983 14.973 9.841 141 HH22 ARG 15 HH22 ARG 15 -7.816 16.153 10.405 142 H TRP 16 H TRP 16 -7.074 18.016 4.105 143 HA TRP 16 HA TRP 16 -7.568 19.571 6.485 144 HB2 TRP 16 HB2 TRP 16 -5.303 19.017 5.328 145 HB3 TRP 16 HB3 TRP 16 -5.686 20.379 4.249 146 HD1 TRP 16 HD1 TRP 16 -6.517 20.407 7.882 147 HE1 TRP 16 HE1 TRP 16 -5.055 22.326 9.107 148 HE3 TRP 16 HE3 TRP 16 -3.530 21.676 3.967 149 HZ2 TRP 16 HZ2 TRP 16 -2.996 24.006 8.363 150 HZ3 TRP 16 HZ3 TRP 16 -1.865 23.397 4.224 151 HH2 TRP 16 HH2 TRP 16 -1.548 24.587 6.387 152 H ARG 17 H ARG 17 -8.431 19.959 3.114 153 HA ARG 17 HA ARG 17 -9.034 22.807 3.378 154 HB2 ARG 17 HB2 ARG 17 -8.880 20.813 1.301 155 HB3 ARG 17 HB3 ARG 17 -10.428 21.686 1.204 156 HG2 ARG 17 HG2 ARG 17 -7.687 22.987 1.293 157 HG3 ARG 17 HG3 ARG 17 -8.640 22.715 -0.185 158 HD2 ARG 17 HD2 ARG 17 -10.499 24.062 0.920 159 HD3 ARG 17 HD3 ARG 17 -9.310 24.512 2.166 160 HE ARG 17 HE ARG 17 -8.416 26.033 0.698 161 HH11 ARG 17 HH11 ARG 17 -10.217 23.612 -1.101 162 HH12 ARG 17 HH12 ARG 17 -10.009 24.424 -2.640 163 HH21 ARG 17 HH21 ARG 17 -8.154 27.082 -1.299 164 HH22 ARG 17 HH22 ARG 17 -8.844 26.385 -2.752 165 H GLU 18 H GLU 18 -11.075 19.885 2.861 166 HA GLU 18 HA GLU 18 -13.548 21.201 3.279 167 HB2 GLU 18 HB2 GLU 18 -12.716 18.342 3.812 168 HB3 GLU 18 HB3 GLU 18 -14.395 18.932 3.825 169 HG2 GLU 18 HG2 GLU 18 -12.549 19.154 1.440 170 HG3 GLU 18 HG3 GLU 18 -13.649 17.780 1.704 171 H ARG 19 H ARG 19 -11.139 20.078 5.565 172 HA ARG 19 HA ARG 19 -12.927 20.180 7.864 173 HB2 ARG 19 HB2 ARG 19 -10.911 18.759 7.748 174 HB3 ARG 19 HB3 ARG 19 -9.907 20.227 7.695 175 HG2 ARG 19 HG2 ARG 19 -9.780 19.779 9.936 176 HG3 ARG 19 HG3 ARG 19 -11.248 20.785 9.921 177 HD2 ARG 19 HD2 ARG 19 -12.471 18.483 9.563 178 HD3 ARG 19 HD3 ARG 19 -10.973 17.804 10.243 179 HE ARG 19 HE ARG 19 -13.044 19.283 11.654 180 HH11 ARG 19 HH11 ARG 19 -9.669 18.307 11.617 181 HH12 ARG 19 HH12 ARG 19 -9.476 18.469 13.352 182 HH21 ARG 19 HH21 ARG 19 -12.787 19.491 13.902 183 HH22 ARG 19 HH22 ARG 19 -11.238 19.138 14.642 184 H GLN 20 H GLN 20 -10.327 22.305 6.594 185 HA GLN 20 HA GLN 20 -10.689 24.321 8.606 186 HB2 GLN 20 HB2 GLN 20 -8.801 23.838 6.796 187 HB3 GLN 20 HB3 GLN 20 -9.755 25.015 5.863 188 HG2 GLN 20 HG2 GLN 20 -9.534 26.640 7.712 189 HG3 GLN 20 HG3 GLN 20 -8.552 25.463 8.616 190 HE21 GLN 20 HE22 GLN 20 -6.856 24.436 6.767 191 HE22 GLN 20 HE21 GLN 20 -5.832 25.696 6.107 192 H ARG 21 H ARG 21 -12.372 23.598 5.622 193 HA ARG 21 HA ARG 21 -13.521 26.078 5.011 194 HB2 ARG 21 HB2 ARG 21 -13.743 23.663 3.972 195 HB3 ARG 21 HB3 ARG 21 -15.207 23.612 4.983 196 HG2 ARG 21 HG2 ARG 21 -14.752 25.990 3.219 197 HG3 ARG 21 HG3 ARG 21 -15.284 24.466 2.470 198 HD2 ARG 21 HD2 ARG 21 -17.078 24.482 4.392 199 HD3 ARG 21 HD3 ARG 21 -16.712 26.222 4.457 200 HE ARG 21 HE ARG 21 -17.883 26.510 2.498 201 HH11 ARG 21 HH11 ARG 21 -17.037 23.120 2.870 202 HH12 ARG 21 HH12 ARG 21 -17.977 22.609 1.481 203 HH21 ARG 21 HH21 ARG 21 -19.100 25.839 0.701 204 HH22 ARG 21 HH22 ARG 21 -19.142 24.144 0.257 205 H ALA 22 H ALA 22 -14.261 23.887 7.672 206 HA ALA 22 HA ALA 22 -16.761 25.031 8.400 207 HB1 ALA 22 HB1 ALA 22 -14.655 23.719 10.154 208 HB2 ALA 22 HB2 ALA 22 -16.360 23.986 10.587 209 HB3 ALA 22 HB3 ALA 22 -15.941 22.874 9.262 210 H ALA 23 H ALA 23 -13.424 25.848 9.383 211 HA ALA 23 HA ALA 23 -14.403 28.045 11.057 212 HB1 ALA 23 HB1 ALA 23 -11.585 27.243 10.251 213 HB2 ALA 23 HB2 ALA 23 -12.018 28.443 11.492 214 HB3 ALA 23 HB3 ALA 23 -12.433 26.729 11.729 215 H ALA 24 H ALA 24 -12.326 27.794 8.130 216 HA ALA 24 HA ALA 24 -12.110 30.536 7.624 217 HB1 ALA 24 HB1 ALA 24 -12.326 28.277 5.604 218 HB2 ALA 24 HB2 ALA 24 -11.662 29.899 5.295 219 HB3 ALA 24 HB3 ALA 24 -10.837 28.801 6.426 220 H ALA 25 H ALA 25 -14.696 28.289 6.601 221 HA ALA 25 HA ALA 25 -16.254 30.681 5.732 222 HB1 ALA 25 HB1 ALA 25 -16.564 27.761 4.951 223 HB2 ALA 25 HB2 ALA 25 -17.551 29.116 4.353 224 HB3 ALA 25 HB3 ALA 25 -15.818 29.033 3.955 225 H ARG 26 H ARG 26 -18.163 31.173 6.624 226 HA ARG 26 HA ARG 26 -19.016 29.492 8.930 227 HB2 ARG 26 HB2 ARG 26 -19.364 32.357 8.114 228 HB3 ARG 26 HB3 ARG 26 -20.529 31.597 9.225 229 HG2 ARG 26 HG2 ARG 26 -18.463 30.906 10.604 230 HG3 ARG 26 HG3 ARG 26 -17.579 32.104 9.628 231 HD2 ARG 26 HD2 ARG 26 -18.264 33.239 11.612 232 HD3 ARG 26 HD3 ARG 26 -19.354 33.792 10.318 233 HE ARG 26 HE ARG 26 -20.621 31.616 11.524 234 HH11 ARG 26 HH11 ARG 26 -19.453 34.793 12.461 235 HH12 ARG 26 HH12 ARG 26 -20.666 35.005 13.709 236 HH21 ARG 26 HH21 ARG 26 -22.189 31.897 13.143 237 HH22 ARG 26 HH22 ARG 26 -22.212 33.369 14.095 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 0.377 1.099 0.239 2 H2 GLY 1 H2 GLY 1 0.576 -0.489 0.607 3 H3 GLY 1 H3 GLY 1 -0.548 0.050 -0.621 4 HA2 GLY 1 HA2 GLY 1 2.024 -0.796 -0.833 5 HA3 GLY 1 HA3 GLY 1 0.881 -0.248 -2.082 6 H ALA 2 H ALA 2 3.378 0.341 -2.667 7 HA ALA 2 HA ALA 2 4.363 2.780 -1.523 8 HB1 ALA 2 HB1 ALA 2 4.916 1.525 -4.236 9 HB2 ALA 2 HB2 ALA 2 5.880 2.802 -3.456 10 HB3 ALA 2 HB3 ALA 2 5.797 1.179 -2.729 11 H MET 3 H MET 3 2.517 2.096 -4.520 12 HA MET 3 HA MET 3 2.404 4.712 -5.533 13 HB2 MET 3 HB2 MET 3 1.578 2.621 -6.623 14 HB3 MET 3 HB3 MET 3 0.166 2.677 -5.541 15 HG2 MET 3 HG2 MET 3 -0.673 4.629 -6.540 16 HG3 MET 3 HG3 MET 3 0.884 5.006 -7.316 17 HE1 MET 3 HE1 MET 3 1.305 4.611 -9.729 18 HE2 MET 3 HE2 MET 3 -0.038 4.116 -10.787 19 HE3 MET 3 HE3 MET 3 -0.251 5.471 -9.653 20 H ALA 4 H ALA 4 0.328 3.183 -3.057 21 HA ALA 4 HA ALA 4 -1.408 5.442 -2.782 22 HB1 ALA 4 HB1 ALA 4 -0.725 3.251 -0.790 23 HB2 ALA 4 HB2 ALA 4 -2.117 4.356 -0.696 24 HB3 ALA 4 HB3 ALA 4 -2.005 3.176 -2.023 25 H THR 5 H THR 5 1.642 4.528 -1.206 26 HA THR 5 HA THR 5 1.609 6.488 0.864 27 HB THR 5 HB THR 5 3.997 5.382 -0.671 28 HG1 THR 5 HG1 THR 5 4.051 3.884 1.093 29 HG21 THR 5 HG21 THR 5 3.777 6.632 2.098 30 HG22 THR 5 HG22 THR 5 5.251 5.932 1.387 31 HG23 THR 5 HG23 THR 5 4.523 7.390 0.671 32 H ARG 6 H ARG 6 2.510 6.737 -2.553 33 HA ARG 6 HA ARG 6 3.696 9.342 -2.349 34 HB2 ARG 6 HB2 ARG 6 3.772 7.607 -4.253 35 HB3 ARG 6 HB3 ARG 6 2.206 8.295 -4.745 36 HG2 ARG 6 HG2 ARG 6 3.214 10.490 -5.023 37 HG3 ARG 6 HG3 ARG 6 4.773 9.882 -4.416 38 HD2 ARG 6 HD2 ARG 6 5.005 8.412 -6.333 39 HD3 ARG 6 HD3 ARG 6 3.376 8.841 -6.906 40 HE ARG 6 HE ARG 6 4.223 10.787 -7.817 41 HH11 ARG 6 HH11 ARG 6 6.560 9.378 -5.604 42 HH12 ARG 6 HH12 ARG 6 7.843 10.481 -6.064 43 HH21 ARG 6 HH21 ARG 6 5.889 12.212 -8.408 44 HH22 ARG 6 HH22 ARG 6 7.463 12.082 -7.649 45 H GLN 7 H GLN 7 0.441 8.409 -3.570 46 HA GLN 7 HA GLN 7 -0.536 11.076 -3.717 47 HB2 GLN 7 HB2 GLN 7 -1.464 8.824 -4.634 48 HB3 GLN 7 HB3 GLN 7 -2.276 8.723 -3.054 49 HG2 GLN 7 HG2 GLN 7 -3.753 9.698 -4.772 50 HG3 GLN 7 HG3 GLN 7 -3.398 10.858 -3.469 51 HE21 GLN 7 HE22 GLN 7 -3.434 12.822 -4.375 52 HE22 GLN 7 HE21 GLN 7 -2.552 13.283 -5.817 53 H ALA 8 H ALA 8 -0.180 8.889 -1.001 54 HA ALA 8 HA ALA 8 -2.028 9.962 0.793 55 HB1 ALA 8 HB1 ALA 8 0.802 9.025 1.380 56 HB2 ALA 8 HB2 ALA 8 -0.517 9.181 2.565 57 HB3 ALA 8 HB3 ALA 8 -0.636 7.984 1.254 58 H ARG 9 H ARG 9 1.250 11.164 0.024 59 HA ARG 9 HA ARG 9 1.403 13.214 1.944 60 HB2 ARG 9 HB2 ARG 9 2.388 13.159 -0.916 61 HB3 ARG 9 HB3 ARG 9 2.874 14.353 0.310 62 HG2 ARG 9 HG2 ARG 9 3.287 11.362 0.593 63 HG3 ARG 9 HG3 ARG 9 4.515 12.476 -0.054 64 HD2 ARG 9 HD2 ARG 9 3.246 12.658 2.703 65 HD3 ARG 9 HD3 ARG 9 4.861 11.998 2.355 66 HE ARG 9 HE ARG 9 4.798 14.583 1.276 67 HH11 ARG 9 HH11 ARG 9 4.510 13.038 4.418 68 HH12 ARG 9 HH12 ARG 9 5.179 14.405 5.288 69 HH21 ARG 9 HH21 ARG 9 5.662 16.352 2.410 70 HH22 ARG 9 HH22 ARG 9 5.830 16.278 4.153 71 H ARG 10 H ARG 10 -0.506 13.041 -1.000 72 HA ARG 10 HA ARG 10 -1.152 15.908 -0.924 73 HB2 ARG 10 HB2 ARG 10 -0.975 14.278 -2.962 74 HB3 ARG 10 HB3 ARG 10 -2.638 13.841 -2.503 75 HG2 ARG 10 HG2 ARG 10 -3.069 15.514 -4.019 76 HG3 ARG 10 HG3 ARG 10 -2.980 16.462 -2.515 77 HD2 ARG 10 HD2 ARG 10 -1.612 17.708 -3.922 78 HD3 ARG 10 HD3 ARG 10 -0.427 16.648 -3.122 79 HE ARG 10 HE ARG 10 -1.236 15.294 -5.423 80 HH11 ARG 10 HH11 ARG 10 0.284 18.358 -4.617 81 HH12 ARG 10 HH12 ARG 10 1.199 18.435 -6.109 82 HH21 ARG 10 HH21 ARG 10 -0.046 15.401 -7.354 83 HH22 ARG 10 HH22 ARG 10 1.013 16.765 -7.656 84 H ASN 11 H ASN 11 -2.495 12.881 0.248 85 HA ASN 11 HA ASN 11 -5.162 13.874 0.714 86 HB2 ASN 11 HB2 ASN 11 -3.526 11.517 1.595 87 HB3 ASN 11 HB3 ASN 11 -5.019 11.908 2.481 88 HD21 ASN 11 HD22 ASN 11 -3.651 11.021 -0.667 89 HD22 ASN 11 HD21 ASN 11 -5.145 10.413 -1.354 90 H ARG 12 H ARG 12 -2.155 13.944 2.575 91 HA ARG 12 HA ARG 12 -3.159 14.586 5.115 92 HB2 ARG 12 HB2 ARG 12 -0.740 15.813 3.779 93 HB3 ARG 12 HB3 ARG 12 -1.047 15.661 5.525 94 HG2 ARG 12 HG2 ARG 12 -0.641 13.362 3.586 95 HG3 ARG 12 HG3 ARG 12 0.579 13.988 4.720 96 HD2 ARG 12 HD2 ARG 12 -1.175 13.512 6.559 97 HD3 ARG 12 HD3 ARG 12 -1.999 12.527 5.328 98 HE ARG 12 HE ARG 12 0.662 11.683 5.344 99 HH11 ARG 12 HH11 ARG 12 -2.025 11.856 7.600 100 HH12 ARG 12 HH12 ARG 12 -1.505 10.455 8.516 101 HH21 ARG 12 HH21 ARG 12 1.330 9.867 6.536 102 HH22 ARG 12 HH22 ARG 12 0.389 9.332 7.915 103 H ARG 13 H ARG 13 -2.177 16.939 2.575 104 HA ARG 13 HA ARG 13 -3.282 19.181 4.012 105 HB2 ARG 13 HB2 ARG 13 -3.006 20.349 1.843 106 HB3 ARG 13 HB3 ARG 13 -1.534 19.543 2.438 107 HG2 ARG 13 HG2 ARG 13 -1.775 17.762 0.856 108 HG3 ARG 13 HG3 ARG 13 -3.399 18.319 0.388 109 HD2 ARG 13 HD2 ARG 13 -2.540 19.701 -1.154 110 HD3 ARG 13 HD3 ARG 13 -1.483 20.461 0.060 111 HE ARG 13 HE ARG 13 -0.758 18.420 -1.890 112 HH11 ARG 13 HH11 ARG 13 0.026 19.947 1.175 113 HH12 ARG 13 HH12 ARG 13 1.719 19.498 1.104 114 HH21 ARG 13 HH21 ARG 13 1.436 17.841 -1.974 115 HH22 ARG 13 HH22 ARG 13 2.516 18.309 -0.675 116 H ARG 14 H ARG 14 -4.577 16.915 1.629 117 HA ARG 14 HA ARG 14 -6.845 18.315 0.767 118 HB2 ARG 14 HB2 ARG 14 -5.923 15.940 0.210 119 HB3 ARG 14 HB3 ARG 14 -6.996 15.419 1.530 120 HG2 ARG 14 HG2 ARG 14 -8.430 15.168 -0.240 121 HG3 ARG 14 HG3 ARG 14 -8.771 16.862 0.184 122 HD2 ARG 14 HD2 ARG 14 -6.567 16.302 -1.770 123 HD3 ARG 14 HD3 ARG 14 -8.248 16.127 -2.327 124 HE ARG 14 HE ARG 14 -7.823 18.624 -0.944 125 HH11 ARG 14 HH11 ARG 14 -7.369 16.942 -3.996 126 HH12 ARG 14 HH12 ARG 14 -7.381 18.414 -4.948 127 HH21 ARG 14 HH21 ARG 14 -7.836 20.527 -2.185 128 HH22 ARG 14 HH22 ARG 14 -7.644 20.439 -3.925 129 H ARG 15 H ARG 15 -6.746 16.033 3.550 130 HA ARG 15 HA ARG 15 -9.338 16.568 4.499 131 HB2 ARG 15 HB2 ARG 15 -7.398 14.906 5.232 132 HB3 ARG 15 HB3 ARG 15 -7.119 16.174 6.449 133 HG2 ARG 15 HG2 ARG 15 -8.570 14.533 7.426 134 HG3 ARG 15 HG3 ARG 15 -9.535 15.990 7.090 135 HD2 ARG 15 HD2 ARG 15 -10.742 13.933 6.448 136 HD3 ARG 15 HD3 ARG 15 -10.401 14.964 5.038 137 HE ARG 15 HE ARG 15 -9.118 13.274 4.152 138 HH11 ARG 15 HH11 ARG 15 -9.551 12.734 7.597 139 HH12 ARG 15 HH12 ARG 15 -8.784 11.158 7.569 140 HH21 ARG 15 HH21 ARG 15 -8.128 11.231 4.124 141 HH22 ARG 15 HH22 ARG 15 -7.979 10.309 5.607 142 H TRP 16 H TRP 16 -6.276 18.237 5.311 143 HA TRP 16 HA TRP 16 -7.279 19.995 7.261 144 HB2 TRP 16 HB2 TRP 16 -4.880 19.813 6.748 145 HB3 TRP 16 HB3 TRP 16 -5.151 20.514 5.135 146 HD1 TRP 16 HD1 TRP 16 -5.952 21.538 8.690 147 HE1 TRP 16 HE1 TRP 16 -5.318 24.150 8.983 148 HE3 TRP 16 HE3 TRP 16 -4.316 22.439 3.961 149 HZ2 TRP 16 HZ2 TRP 16 -4.292 26.122 7.348 150 HZ3 TRP 16 HZ3 TRP 16 -3.534 24.632 3.349 151 HH2 TRP 16 HH2 TRP 16 -3.495 26.504 4.990 152 H ARG 17 H ARG 17 -7.498 20.198 3.723 153 HA ARG 17 HA ARG 17 -8.564 22.880 3.689 154 HB2 ARG 17 HB2 ARG 17 -7.512 21.392 1.813 155 HB3 ARG 17 HB3 ARG 17 -9.181 20.809 1.614 156 HG2 ARG 17 HG2 ARG 17 -8.690 23.763 1.684 157 HG3 ARG 17 HG3 ARG 17 -8.245 22.866 0.213 158 HD2 ARG 17 HD2 ARG 17 -10.641 21.849 0.404 159 HD3 ARG 17 HD3 ARG 17 -10.965 23.237 1.470 160 HE ARG 17 HE ARG 17 -10.978 24.627 -0.373 161 HH11 ARG 17 HH11 ARG 17 -9.527 21.540 -1.216 162 HH12 ARG 17 HH12 ARG 17 -9.462 21.902 -2.930 163 HH21 ARG 17 HH21 ARG 17 -10.893 25.086 -2.593 164 HH22 ARG 17 HH22 ARG 17 -10.233 23.905 -3.708 165 H GLU 18 H GLU 18 -10.139 19.666 3.352 166 HA GLU 18 HA GLU 18 -12.796 20.647 3.238 167 HB2 GLU 18 HB2 GLU 18 -11.818 18.062 4.465 168 HB3 GLU 18 HB3 GLU 18 -13.464 18.417 3.887 169 HG2 GLU 18 HG2 GLU 18 -10.994 18.398 2.136 170 HG3 GLU 18 HG3 GLU 18 -12.087 17.008 2.336 171 H ARG 19 H ARG 19 -10.641 20.138 5.980 172 HA ARG 19 HA ARG 19 -12.743 20.383 7.974 173 HB2 ARG 19 HB2 ARG 19 -10.721 19.193 8.492 174 HB3 ARG 19 HB3 ARG 19 -9.731 20.615 8.085 175 HG2 ARG 19 HG2 ARG 19 -9.892 20.372 10.504 176 HG3 ARG 19 HG3 ARG 19 -10.739 21.844 9.973 177 HD2 ARG 19 HD2 ARG 19 -12.784 21.050 10.585 178 HD3 ARG 19 HD3 ARG 19 -12.392 19.380 10.110 179 HE ARG 19 HE ARG 19 -12.080 20.592 12.739 180 HH11 ARG 19 HH11 ARG 19 -11.047 18.040 10.557 181 HH12 ARG 19 HH12 ARG 19 -10.517 16.983 11.851 182 HH21 ARG 19 HH21 ARG 19 -11.390 19.216 14.409 183 HH22 ARG 19 HH22 ARG 19 -10.711 17.646 14.026 184 H GLN 20 H GLN 20 -10.418 22.609 6.449 185 HA GLN 20 HA GLN 20 -11.008 24.845 8.146 186 HB2 GLN 20 HB2 GLN 20 -9.131 24.351 6.330 187 HB3 GLN 20 HB3 GLN 20 -10.277 25.219 5.281 188 HG2 GLN 20 HG2 GLN 20 -10.251 27.117 6.894 189 HG3 GLN 20 HG3 GLN 20 -9.015 26.255 7.842 190 HE21 GLN 20 HE22 GLN 20 -7.192 25.350 6.195 191 HE22 GLN 20 HE21 GLN 20 -6.498 26.615 5.199 192 H ARG 21 H ARG 21 -12.670 23.437 5.403 193 HA ARG 21 HA ARG 21 -14.185 25.610 4.493 194 HB2 ARG 21 HB2 ARG 21 -14.092 23.028 3.876 195 HB3 ARG 21 HB3 ARG 21 -15.532 22.986 4.920 196 HG2 ARG 21 HG2 ARG 21 -16.299 25.013 3.431 197 HG3 ARG 21 HG3 ARG 21 -15.121 24.349 2.274 198 HD2 ARG 21 HD2 ARG 21 -16.308 22.091 2.641 199 HD3 ARG 21 HD3 ARG 21 -17.608 23.039 3.400 200 HE ARG 21 HE ARG 21 -16.908 24.082 0.808 201 HH11 ARG 21 HH11 ARG 21 -18.668 21.530 2.460 202 HH12 ARG 21 HH12 ARG 21 -19.807 21.299 1.148 203 HH21 ARG 21 HH21 ARG 21 -18.387 23.776 -0.889 204 HH22 ARG 21 HH22 ARG 21 -19.649 22.568 -0.744 205 H ALA 22 H ALA 22 -14.509 23.780 7.490 206 HA ALA 22 HA ALA 22 -17.122 24.684 8.172 207 HB1 ALA 22 HB1 ALA 22 -14.805 23.917 9.982 208 HB2 ALA 22 HB2 ALA 22 -16.516 24.028 10.460 209 HB3 ALA 22 HB3 ALA 22 -15.998 22.796 9.285 210 H ALA 23 H ALA 23 -13.892 26.063 8.814 211 HA ALA 23 HA ALA 23 -15.083 28.325 10.244 212 HB1 ALA 23 HB1 ALA 23 -12.226 27.802 9.352 213 HB2 ALA 23 HB2 ALA 23 -12.761 29.097 10.449 214 HB3 ALA 23 HB3 ALA 23 -12.913 27.394 10.943 215 H ALA 24 H ALA 24 -13.147 27.940 7.236 216 HA ALA 24 HA ALA 24 -13.364 30.590 6.356 217 HB1 ALA 24 HB1 ALA 24 -13.317 28.058 4.677 218 HB2 ALA 24 HB2 ALA 24 -12.921 29.698 4.110 219 HB3 ALA 24 HB3 ALA 24 -11.892 28.905 5.326 220 H ALA 25 H ALA 25 -15.612 27.865 5.798 221 HA ALA 25 HA ALA 25 -17.580 29.880 4.802 222 HB1 ALA 25 HB1 ALA 25 -17.384 26.911 4.186 223 HB2 ALA 25 HB2 ALA 25 -18.618 28.032 3.562 224 HB3 ALA 25 HB3 ALA 25 -16.913 28.236 3.094 225 H ARG 26 H ARG 26 -19.164 30.345 6.137 226 HA ARG 26 HA ARG 26 -19.775 28.504 8.366 227 HB2 ARG 26 HB2 ARG 26 -20.887 31.224 7.646 228 HB3 ARG 26 HB3 ARG 26 -21.200 30.321 9.147 229 HG2 ARG 26 HG2 ARG 26 -18.451 31.237 8.255 230 HG3 ARG 26 HG3 ARG 26 -19.497 32.166 9.355 231 HD2 ARG 26 HD2 ARG 26 -18.565 29.317 9.856 232 HD3 ARG 26 HD3 ARG 26 -17.788 30.766 10.537 233 HE ARG 26 HE ARG 26 -20.514 30.893 11.206 234 HH11 ARG 26 HH11 ARG 26 -17.726 28.846 11.822 235 HH12 ARG 26 HH12 ARG 26 -18.291 28.343 13.403 236 HH21 ARG 26 HH21 ARG 26 -21.240 30.236 13.256 237 HH22 ARG 26 HH22 ARG 26 -20.276 29.129 14.213 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 0.532 -1.102 -1.333 2 H2 GLY 1 H2 GLY 1 1.124 -2.485 -1.989 3 H3 GLY 1 H3 GLY 1 -0.261 -1.654 -2.660 4 HA2 GLY 1 HA2 GLY 1 2.372 -1.501 -3.310 5 HA3 GLY 1 HA3 GLY 1 0.963 -0.656 -3.992 6 H ALA 2 H ALA 2 3.923 -0.091 -2.808 7 HA ALA 2 HA ALA 2 3.678 1.855 -0.815 8 HB1 ALA 2 HB1 ALA 2 5.618 1.813 -3.154 9 HB2 ALA 2 HB2 ALA 2 5.820 2.729 -1.641 10 HB3 ALA 2 HB3 ALA 2 5.825 0.949 -1.611 11 H MET 3 H MET 3 3.027 2.118 -4.276 12 HA MET 3 HA MET 3 2.993 4.910 -4.573 13 HB2 MET 3 HB2 MET 3 1.599 4.577 -6.436 14 HB3 MET 3 HB3 MET 3 2.657 3.149 -6.336 15 HG2 MET 3 HG2 MET 3 0.795 1.935 -5.188 16 HG3 MET 3 HG3 MET 3 -0.249 3.343 -5.495 17 HE1 MET 3 HE1 MET 3 0.174 4.375 -8.280 18 HE2 MET 3 HE2 MET 3 -0.841 3.312 -9.283 19 HE3 MET 3 HE3 MET 3 -1.422 3.853 -7.690 20 H ALA 4 H ALA 4 0.689 2.812 -2.931 21 HA ALA 4 HA ALA 4 -1.538 4.482 -2.806 22 HB1 ALA 4 HB1 ALA 4 -0.413 2.731 -0.593 23 HB2 ALA 4 HB2 ALA 4 -2.082 3.339 -0.702 24 HB3 ALA 4 HB3 ALA 4 -1.473 2.188 -1.915 25 H THR 5 H THR 5 1.181 4.409 -0.451 26 HA THR 5 HA THR 5 0.252 6.681 1.039 27 HB THR 5 HB THR 5 2.621 6.786 1.858 28 HG1 THR 5 HG1 THR 5 4.033 5.114 1.107 29 HG21 THR 5 HG21 THR 5 1.404 3.994 1.789 30 HG22 THR 5 HG22 THR 5 2.617 4.571 2.956 31 HG23 THR 5 HG23 THR 5 0.986 5.282 2.944 32 H ARG 6 H ARG 6 2.207 6.396 -1.883 33 HA ARG 6 HA ARG 6 3.360 8.947 -1.963 34 HB2 ARG 6 HB2 ARG 6 3.161 6.818 -3.658 35 HB3 ARG 6 HB3 ARG 6 2.152 8.027 -4.486 36 HG2 ARG 6 HG2 ARG 6 3.922 9.364 -4.992 37 HG3 ARG 6 HG3 ARG 6 4.786 8.970 -3.486 38 HD2 ARG 6 HD2 ARG 6 4.536 7.172 -5.926 39 HD3 ARG 6 HD3 ARG 6 5.982 8.098 -5.457 40 HE ARG 6 HE ARG 6 5.459 6.572 -3.241 41 HH11 ARG 6 HH11 ARG 6 5.862 5.885 -6.662 42 HH12 ARG 6 HH12 ARG 6 6.523 4.284 -6.387 43 HH21 ARG 6 HH21 ARG 6 6.317 4.498 -2.892 44 HH22 ARG 6 HH22 ARG 6 6.780 3.501 -4.257 45 H GLN 7 H GLN 7 0.219 8.058 -3.482 46 HA GLN 7 HA GLN 7 -0.498 10.809 -3.951 47 HB2 GLN 7 HB2 GLN 7 -1.335 8.630 -5.064 48 HB3 GLN 7 HB3 GLN 7 -2.445 8.536 -3.676 49 HG2 GLN 7 HG2 GLN 7 -3.681 9.603 -5.391 50 HG3 GLN 7 HG3 GLN 7 -3.176 10.906 -4.289 51 HE21 GLN 7 HE22 GLN 7 -1.461 12.321 -4.917 52 HE22 GLN 7 HE21 GLN 7 -1.059 12.533 -6.610 53 H ALA 8 H ALA 8 -0.884 8.633 -1.222 54 HA ALA 8 HA ALA 8 -2.982 10.015 0.097 55 HB1 ALA 8 HB1 ALA 8 -0.653 8.467 1.287 56 HB2 ALA 8 HB2 ALA 8 -2.164 8.894 2.124 57 HB3 ALA 8 HB3 ALA 8 -2.198 7.771 0.744 58 H ARG 9 H ARG 9 0.474 10.682 -0.129 59 HA ARG 9 HA ARG 9 0.593 12.570 2.032 60 HB2 ARG 9 HB2 ARG 9 2.458 11.373 0.650 61 HB3 ARG 9 HB3 ARG 9 2.273 12.765 -0.443 62 HG2 ARG 9 HG2 ARG 9 4.063 13.284 1.052 63 HG3 ARG 9 HG3 ARG 9 2.660 14.263 1.545 64 HD2 ARG 9 HD2 ARG 9 2.194 12.821 3.397 65 HD3 ARG 9 HD3 ARG 9 3.340 11.591 2.812 66 HE ARG 9 HE ARG 9 3.949 13.988 4.349 67 HH11 ARG 9 HH11 ARG 9 5.176 11.554 2.132 68 HH12 ARG 9 HH12 ARG 9 6.843 11.766 2.630 69 HH21 ARG 9 HH21 ARG 9 6.111 14.260 4.987 70 HH22 ARG 9 HH22 ARG 9 7.372 13.295 4.243 71 H ARG 10 H ARG 10 -0.352 12.833 -1.367 72 HA ARG 10 HA ARG 10 -0.378 15.729 -1.393 73 HB2 ARG 10 HB2 ARG 10 -0.192 14.310 -3.406 74 HB3 ARG 10 HB3 ARG 10 -1.850 13.731 -3.122 75 HG2 ARG 10 HG2 ARG 10 -2.737 15.962 -3.457 76 HG3 ARG 10 HG3 ARG 10 -1.094 16.631 -3.594 77 HD2 ARG 10 HD2 ARG 10 -0.710 15.324 -5.633 78 HD3 ARG 10 HD3 ARG 10 -2.325 14.591 -5.484 79 HE ARG 10 HE ARG 10 -2.801 17.311 -5.539 80 HH11 ARG 10 HH11 ARG 10 -1.149 15.000 -7.607 81 HH12 ARG 10 HH12 ARG 10 -1.498 15.885 -9.079 82 HH21 ARG 10 HH21 ARG 10 -3.249 18.451 -7.451 83 HH22 ARG 10 HH22 ARG 10 -2.684 17.835 -8.992 84 H ASN 11 H ASN 11 -2.696 13.228 -0.489 85 HA ASN 11 HA ASN 11 -4.904 15.160 -0.306 86 HB2 ASN 11 HB2 ASN 11 -4.756 12.308 0.719 87 HB3 ASN 11 HB3 ASN 11 -6.216 13.280 0.415 88 HD21 ASN 11 HD22 ASN 11 -4.910 10.657 -0.687 89 HD22 ASN 11 HD21 ASN 11 -5.100 10.836 -2.420 90 H ARG 12 H ARG 12 -2.491 13.714 1.809 91 HA ARG 12 HA ARG 12 -3.660 14.142 4.320 92 HB2 ARG 12 HB2 ARG 12 -1.294 13.239 3.485 93 HB3 ARG 12 HB3 ARG 12 -0.806 14.891 3.931 94 HG2 ARG 12 HG2 ARG 12 -1.141 14.541 6.167 95 HG3 ARG 12 HG3 ARG 12 -2.449 13.364 5.897 96 HD2 ARG 12 HD2 ARG 12 -0.995 11.591 5.658 97 HD3 ARG 12 HD3 ARG 12 0.323 12.616 5.042 98 HE ARG 12 HE ARG 12 -0.126 13.323 7.734 99 HH11 ARG 12 HH11 ARG 12 0.961 10.571 5.840 100 HH12 ARG 12 HH12 ARG 12 1.997 9.951 7.111 101 HH21 ARG 12 HH21 ARG 12 1.220 12.516 9.375 102 HH22 ARG 12 HH22 ARG 12 2.143 11.050 9.109 103 H ARG 13 H ARG 13 -1.666 16.468 2.441 104 HA ARG 13 HA ARG 13 -2.071 18.614 4.319 105 HB2 ARG 13 HB2 ARG 13 -1.125 20.018 2.614 106 HB3 ARG 13 HB3 ARG 13 -0.197 18.505 2.741 107 HG2 ARG 13 HG2 ARG 13 -1.861 17.767 0.793 108 HG3 ARG 13 HG3 ARG 13 -1.919 19.524 0.518 109 HD2 ARG 13 HD2 ARG 13 0.671 17.960 0.744 110 HD3 ARG 13 HD3 ARG 13 -0.153 18.259 -0.805 111 HE ARG 13 HE ARG 13 0.082 20.764 0.272 112 HH11 ARG 13 HH11 ARG 13 2.332 18.132 -0.324 113 HH12 ARG 13 HH12 ARG 13 3.700 19.197 -0.579 114 HH21 ARG 13 HH21 ARG 13 1.859 22.138 -0.061 115 HH22 ARG 13 HH22 ARG 13 3.433 21.461 -0.431 116 H ARG 14 H ARG 14 -3.805 17.537 1.415 117 HA ARG 14 HA ARG 14 -5.449 19.824 1.070 118 HB2 ARG 14 HB2 ARG 14 -5.647 16.915 0.408 119 HB3 ARG 14 HB3 ARG 14 -7.093 17.939 0.243 120 HG2 ARG 14 HG2 ARG 14 -5.546 19.504 -1.131 121 HG3 ARG 14 HG3 ARG 14 -4.472 18.089 -1.243 122 HD2 ARG 14 HD2 ARG 14 -5.818 18.007 -3.195 123 HD3 ARG 14 HD3 ARG 14 -6.515 16.798 -2.090 124 HE ARG 14 HE ARG 14 -8.467 18.006 -2.066 125 HH11 ARG 14 HH11 ARG 14 -5.831 20.081 -3.110 126 HH12 ARG 14 HH12 ARG 14 -6.881 21.436 -3.475 127 HH21 ARG 14 HH21 ARG 14 -9.821 19.767 -2.543 128 HH22 ARG 14 HH22 ARG 14 -9.134 21.259 -3.154 129 H ARG 15 H ARG 15 -5.604 17.195 3.404 130 HA ARG 15 HA ARG 15 -8.277 17.385 4.235 131 HB2 ARG 15 HB2 ARG 15 -6.251 15.899 5.006 132 HB3 ARG 15 HB3 ARG 15 -6.072 17.163 6.246 133 HG2 ARG 15 HG2 ARG 15 -7.442 15.688 7.362 134 HG3 ARG 15 HG3 ARG 15 -8.655 16.739 6.591 135 HD2 ARG 15 HD2 ARG 15 -7.683 14.326 5.094 136 HD3 ARG 15 HD3 ARG 15 -8.825 14.088 6.438 137 HE ARG 15 HE ARG 15 -9.755 16.153 4.683 138 HH11 ARG 15 HH11 ARG 15 -9.371 12.670 4.944 139 HH12 ARG 15 HH12 ARG 15 -10.712 12.320 3.871 140 HH21 ARG 15 HH21 ARG 15 -11.491 15.692 3.294 141 HH22 ARG 15 HH22 ARG 15 -11.910 14.027 2.938 142 H TRP 16 H TRP 16 -5.528 19.493 5.042 143 HA TRP 16 HA TRP 16 -6.672 20.988 7.118 144 HB2 TRP 16 HB2 TRP 16 -4.756 21.723 4.881 145 HB3 TRP 16 HB3 TRP 16 -5.247 22.904 6.118 146 HD1 TRP 16 HD1 TRP 16 -4.735 19.352 7.041 147 HE1 TRP 16 HE1 TRP 16 -2.552 19.146 8.625 148 HE3 TRP 16 HE3 TRP 16 -3.016 24.114 6.560 149 HZ2 TRP 16 HZ2 TRP 16 -0.533 20.846 9.423 150 HZ3 TRP 16 HZ3 TRP 16 -1.012 24.799 7.707 151 HH2 TRP 16 HH2 TRP 16 0.269 23.218 9.142 152 H ARG 17 H ARG 17 -6.890 21.687 3.597 153 HA ARG 17 HA ARG 17 -8.607 23.930 3.850 154 HB2 ARG 17 HB2 ARG 17 -7.332 22.795 1.815 155 HB3 ARG 17 HB3 ARG 17 -8.923 22.037 1.567 156 HG2 ARG 17 HG2 ARG 17 -8.794 24.999 1.982 157 HG3 ARG 17 HG3 ARG 17 -8.276 24.342 0.411 158 HD2 ARG 17 HD2 ARG 17 -10.416 23.335 0.031 159 HD3 ARG 17 HD3 ARG 17 -10.933 23.655 1.703 160 HE ARG 17 HE ARG 17 -11.032 25.479 -0.545 161 HH11 ARG 17 HH11 ARG 17 -10.757 25.223 2.949 162 HH12 ARG 17 HH12 ARG 17 -11.422 26.818 3.240 163 HH21 ARG 17 HH21 ARG 17 -11.891 27.546 -0.159 164 HH22 ARG 17 HH22 ARG 17 -12.063 28.131 1.484 165 H GLU 18 H GLU 18 -9.464 20.495 3.221 166 HA GLU 18 HA GLU 18 -12.248 20.800 3.153 167 HB2 GLU 18 HB2 GLU 18 -10.423 18.598 4.068 168 HB3 GLU 18 HB3 GLU 18 -12.188 18.445 4.241 169 HG2 GLU 18 HG2 GLU 18 -10.937 19.174 1.603 170 HG3 GLU 18 HG3 GLU 18 -11.026 17.477 2.131 171 H ARG 19 H ARG 19 -10.144 20.370 6.015 172 HA ARG 19 HA ARG 19 -12.306 20.343 7.907 173 HB2 ARG 19 HB2 ARG 19 -9.735 19.731 8.067 174 HB3 ARG 19 HB3 ARG 19 -9.611 21.427 8.594 175 HG2 ARG 19 HG2 ARG 19 -9.876 20.346 10.621 176 HG3 ARG 19 HG3 ARG 19 -11.559 20.764 10.221 177 HD2 ARG 19 HD2 ARG 19 -11.556 18.400 9.059 178 HD3 ARG 19 HD3 ARG 19 -10.178 18.090 10.142 179 HE ARG 19 HE ARG 19 -12.241 19.160 11.719 180 HH11 ARG 19 HH11 ARG 19 -11.629 16.326 9.734 181 HH12 ARG 19 HH12 ARG 19 -12.680 15.289 10.678 182 HH21 ARG 19 HH21 ARG 19 -13.599 17.808 12.939 183 HH22 ARG 19 HH22 ARG 19 -13.793 16.126 12.488 184 H GLN 20 H GLN 20 -10.186 22.968 6.705 185 HA GLN 20 HA GLN 20 -11.220 25.019 8.368 186 HB2 GLN 20 HB2 GLN 20 -9.243 24.887 6.596 187 HB3 GLN 20 HB3 GLN 20 -10.483 25.607 5.542 188 HG2 GLN 20 HG2 GLN 20 -9.488 27.514 6.377 189 HG3 GLN 20 HG3 GLN 20 -10.785 27.270 7.570 190 HE21 GLN 20 HE22 GLN 20 -7.363 26.384 6.940 191 HE22 GLN 20 HE21 GLN 20 -6.851 26.493 8.613 192 H ARG 21 H ARG 21 -12.572 23.472 5.532 193 HA ARG 21 HA ARG 21 -14.382 25.418 4.644 194 HB2 ARG 21 HB2 ARG 21 -13.873 22.926 3.923 195 HB3 ARG 21 HB3 ARG 21 -15.286 22.588 4.950 196 HG2 ARG 21 HG2 ARG 21 -16.484 24.406 3.580 197 HG3 ARG 21 HG3 ARG 21 -15.132 24.254 2.433 198 HD2 ARG 21 HD2 ARG 21 -15.690 21.680 2.592 199 HD3 ARG 21 HD3 ARG 21 -17.278 22.269 3.140 200 HE ARG 21 HE ARG 21 -16.247 22.297 0.452 201 HH11 ARG 21 HH11 ARG 21 -18.274 24.048 2.727 202 HH12 ARG 21 HH12 ARG 21 -19.260 24.777 1.474 203 HH21 ARG 21 HH21 ARG 21 -17.530 23.246 -1.166 204 HH22 ARG 21 HH22 ARG 21 -18.840 24.324 -0.725 205 H ALA 22 H ALA 22 -14.495 23.448 7.568 206 HA ALA 22 HA ALA 22 -17.241 23.955 8.186 207 HB1 ALA 22 HB1 ALA 22 -14.905 23.358 10.036 208 HB2 ALA 22 HB2 ALA 22 -16.630 23.230 10.452 209 HB3 ALA 22 HB3 ALA 22 -15.929 22.148 9.226 210 H ALA 23 H ALA 23 -14.234 25.706 8.950 211 HA ALA 23 HA ALA 23 -15.704 27.684 10.536 212 HB1 ALA 23 HB1 ALA 23 -12.819 27.622 9.581 213 HB2 ALA 23 HB2 ALA 23 -13.506 28.758 10.767 214 HB3 ALA 23 HB3 ALA 23 -13.411 27.022 11.149 215 H ALA 24 H ALA 24 -13.806 27.756 7.479 216 HA ALA 24 HA ALA 24 -14.494 30.418 6.806 217 HB1 ALA 24 HB1 ALA 24 -13.858 28.083 4.968 218 HB2 ALA 24 HB2 ALA 24 -13.800 29.807 4.530 219 HB3 ALA 24 HB3 ALA 24 -12.666 29.157 5.738 220 H ALA 25 H ALA 25 -16.133 27.339 6.060 221 HA ALA 25 HA ALA 25 -18.401 28.956 4.981 222 HB1 ALA 25 HB1 ALA 25 -17.658 26.057 4.452 223 HB2 ALA 25 HB2 ALA 25 -19.045 26.927 3.754 224 HB3 ALA 25 HB3 ALA 25 -17.386 27.422 3.343 225 H ARG 26 H ARG 26 -20.068 29.180 6.280 226 HA ARG 26 HA ARG 26 -20.414 27.412 8.587 227 HB2 ARG 26 HB2 ARG 26 -22.185 29.613 7.507 228 HB3 ARG 26 HB3 ARG 26 -22.290 28.848 9.110 229 HG2 ARG 26 HG2 ARG 26 -19.895 30.420 8.114 230 HG3 ARG 26 HG3 ARG 26 -21.199 31.108 9.111 231 HD2 ARG 26 HD2 ARG 26 -19.577 28.686 9.949 232 HD3 ARG 26 HD3 ARG 26 -19.114 30.353 10.367 233 HE ARG 26 HE ARG 26 -21.829 29.869 11.120 234 HH11 ARG 26 HH11 ARG 26 -18.520 29.086 12.006 235 HH12 ARG 26 HH12 ARG 26 -18.902 28.851 13.701 236 HH21 ARG 26 HH21 ARG 26 -22.314 29.564 13.318 237 HH22 ARG 26 HH22 ARG 26 -21.043 29.121 14.442 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -1.962 1.137 -1.519 2 H2 GLY 1 H2 GLY 1 -2.691 -0.315 -1.750 3 H3 GLY 1 H3 GLY 1 -2.699 0.936 -2.972 4 HA2 GLY 1 HA2 GLY 1 -1.031 -1.179 -2.624 5 HA3 GLY 1 HA3 GLY 1 -1.039 0.094 -3.867 6 H ALA 2 H ALA 2 1.367 -0.938 -3.095 7 HA ALA 2 HA ALA 2 2.593 0.452 -0.923 8 HB1 ALA 2 HB1 ALA 2 3.841 -0.711 -3.438 9 HB2 ALA 2 HB2 ALA 2 4.707 -0.265 -1.949 10 HB3 ALA 2 HB3 ALA 2 3.525 -1.595 -1.927 11 H MET 3 H MET 3 1.955 1.349 -4.263 12 HA MET 3 HA MET 3 3.728 3.690 -4.127 13 HB2 MET 3 HB2 MET 3 1.750 2.627 -6.144 14 HB3 MET 3 HB3 MET 3 2.564 4.199 -6.326 15 HG2 MET 3 HG2 MET 3 4.040 1.581 -5.970 16 HG3 MET 3 HG3 MET 3 3.615 2.253 -7.562 17 HE1 MET 3 HE1 MET 3 6.530 1.652 -7.383 18 HE2 MET 3 HE2 MET 3 7.597 2.741 -6.464 19 HE3 MET 3 HE3 MET 3 6.501 1.634 -5.603 20 H ALA 4 H ALA 4 0.353 2.922 -3.552 21 HA ALA 4 HA ALA 4 -0.815 5.443 -3.821 22 HB1 ALA 4 HB1 ALA 4 -1.366 3.359 -1.679 23 HB2 ALA 4 HB2 ALA 4 -2.458 4.679 -2.162 24 HB3 ALA 4 HB3 ALA 4 -2.066 3.382 -3.316 25 H THR 5 H THR 5 1.260 4.225 -1.224 26 HA THR 5 HA THR 5 0.791 6.189 0.742 27 HB THR 5 HB THR 5 2.299 4.181 0.986 28 HG1 THR 5 HG1 THR 5 3.807 5.348 2.297 29 HG21 THR 5 HG21 THR 5 4.247 5.954 -0.544 30 HG22 THR 5 HG22 THR 5 4.651 4.419 0.261 31 HG23 THR 5 HG23 THR 5 3.546 4.428 -1.134 32 H ARG 6 H ARG 6 2.552 6.462 -2.295 33 HA ARG 6 HA ARG 6 3.888 8.923 -1.681 34 HB2 ARG 6 HB2 ARG 6 4.080 7.192 -3.672 35 HB3 ARG 6 HB3 ARG 6 2.914 8.300 -4.433 36 HG2 ARG 6 HG2 ARG 6 4.425 10.107 -4.387 37 HG3 ARG 6 HG3 ARG 6 5.483 9.302 -3.204 38 HD2 ARG 6 HD2 ARG 6 6.151 7.653 -4.879 39 HD3 ARG 6 HD3 ARG 6 5.034 8.372 -6.063 40 HE ARG 6 HE ARG 6 6.892 10.330 -5.085 41 HH11 ARG 6 HH11 ARG 6 6.591 7.565 -7.232 42 HH12 ARG 6 HH12 ARG 6 7.876 8.100 -8.299 43 HH21 ARG 6 HH21 ARG 6 8.555 11.016 -6.471 44 HH22 ARG 6 HH22 ARG 6 8.985 10.049 -7.869 45 H GLN 7 H GLN 7 0.940 8.392 -3.678 46 HA GLN 7 HA GLN 7 0.268 11.144 -3.870 47 HB2 GLN 7 HB2 GLN 7 -0.639 9.210 -5.209 48 HB3 GLN 7 HB3 GLN 7 -1.656 8.816 -3.802 49 HG2 GLN 7 HG2 GLN 7 -2.966 10.091 -5.392 50 HG3 GLN 7 HG3 GLN 7 -2.667 11.088 -3.948 51 HE21 GLN 7 HE22 GLN 7 -2.105 13.124 -4.322 52 HE22 GLN 7 HE21 GLN 7 -1.301 13.715 -5.763 53 H ALA 8 H ALA 8 -0.210 8.838 -1.272 54 HA ALA 8 HA ALA 8 -2.299 10.107 0.115 55 HB1 ALA 8 HB1 ALA 8 0.127 8.676 1.255 56 HB2 ALA 8 HB2 ALA 8 -1.398 9.000 2.113 57 HB3 ALA 8 HB3 ALA 8 -1.381 7.901 0.713 58 H ARG 9 H ARG 9 1.175 10.861 0.057 59 HA ARG 9 HA ARG 9 1.309 12.677 2.185 60 HB2 ARG 9 HB2 ARG 9 3.056 11.809 0.389 61 HB3 ARG 9 HB3 ARG 9 2.647 13.354 -0.393 62 HG2 ARG 9 HG2 ARG 9 3.652 14.608 1.231 63 HG3 ARG 9 HG3 ARG 9 3.286 13.432 2.515 64 HD2 ARG 9 HD2 ARG 9 5.558 13.108 2.354 65 HD3 ARG 9 HD3 ARG 9 5.009 11.939 1.130 66 HE ARG 9 HE ARG 9 5.991 13.227 -0.512 67 HH11 ARG 9 HH11 ARG 9 5.680 15.101 2.444 68 HH12 ARG 9 HH12 ARG 9 6.622 16.447 1.833 69 HH21 ARG 9 HH21 ARG 9 7.214 14.972 -1.294 70 HH22 ARG 9 HH22 ARG 9 7.489 16.374 -0.279 71 H ARG 10 H ARG 10 0.122 13.227 -1.132 72 HA ARG 10 HA ARG 10 -0.295 16.063 -0.738 73 HB2 ARG 10 HB2 ARG 10 -1.410 14.070 -2.720 74 HB3 ARG 10 HB3 ARG 10 -1.713 15.823 -2.778 75 HG2 ARG 10 HG2 ARG 10 1.121 14.873 -2.672 76 HG3 ARG 10 HG3 ARG 10 0.229 14.679 -4.199 77 HD2 ARG 10 HD2 ARG 10 -0.272 17.071 -4.245 78 HD3 ARG 10 HD3 ARG 10 0.530 17.290 -2.671 79 HE ARG 10 HE ARG 10 2.359 16.115 -4.511 80 HH11 ARG 10 HH11 ARG 10 0.689 19.133 -3.841 81 HH12 ARG 10 HH12 ARG 10 1.941 20.126 -4.561 82 HH21 ARG 10 HH21 ARG 10 3.978 17.409 -5.440 83 HH22 ARG 10 HH22 ARG 10 3.799 19.153 -5.464 84 H ASN 11 H ASN 11 -2.534 13.252 -0.783 85 HA ASN 11 HA ASN 11 -4.906 14.641 -0.225 86 HB2 ASN 11 HB2 ASN 11 -3.893 11.872 0.325 87 HB3 ASN 11 HB3 ASN 11 -5.404 12.399 1.103 88 HD21 ASN 11 HD22 ASN 11 -4.311 10.663 -1.396 89 HD22 ASN 11 HD21 ASN 11 -5.559 10.977 -2.587 90 H ARG 12 H ARG 12 -2.338 13.619 2.010 91 HA ARG 12 HA ARG 12 -3.666 14.110 4.448 92 HB2 ARG 12 HB2 ARG 12 -0.794 14.381 3.577 93 HB3 ARG 12 HB3 ARG 12 -1.314 14.720 5.245 94 HG2 ARG 12 HG2 ARG 12 -2.236 12.413 5.381 95 HG3 ARG 12 HG3 ARG 12 -1.588 12.090 3.755 96 HD2 ARG 12 HD2 ARG 12 -0.082 11.229 5.508 97 HD3 ARG 12 HD3 ARG 12 0.692 12.524 4.564 98 HE ARG 12 HE ARG 12 -0.572 13.621 6.879 99 HH11 ARG 12 HH11 ARG 12 2.185 11.686 5.879 100 HH12 ARG 12 HH12 ARG 12 3.179 12.184 7.234 101 HH21 ARG 12 HH21 ARG 12 0.724 14.262 8.630 102 HH22 ARG 12 HH22 ARG 12 2.355 13.638 8.788 103 H ARG 13 H ARG 13 -1.946 16.391 2.303 104 HA ARG 13 HA ARG 13 -2.327 18.649 4.075 105 HB2 ARG 13 HB2 ARG 13 -1.425 18.192 1.267 106 HB3 ARG 13 HB3 ARG 13 -1.942 19.829 1.738 107 HG2 ARG 13 HG2 ARG 13 0.376 19.844 2.097 108 HG3 ARG 13 HG3 ARG 13 -0.315 19.572 3.714 109 HD2 ARG 13 HD2 ARG 13 -0.011 17.070 3.254 110 HD3 ARG 13 HD3 ARG 13 0.989 17.556 1.864 111 HE ARG 13 HE ARG 13 2.695 18.126 3.309 112 HH11 ARG 13 HH11 ARG 13 -0.308 17.739 5.092 113 HH12 ARG 13 HH12 ARG 13 0.467 17.850 6.660 114 HH21 ARG 13 HH21 ARG 13 3.692 18.268 5.345 115 HH22 ARG 13 HH22 ARG 13 2.727 18.148 6.804 116 H ARG 14 H ARG 14 -4.149 17.274 1.352 117 HA ARG 14 HA ARG 14 -5.957 19.441 0.990 118 HB2 ARG 14 HB2 ARG 14 -5.528 17.156 -0.292 119 HB3 ARG 14 HB3 ARG 14 -6.884 16.620 0.729 120 HG2 ARG 14 HG2 ARG 14 -8.103 18.723 -0.137 121 HG3 ARG 14 HG3 ARG 14 -6.839 18.772 -1.389 122 HD2 ARG 14 HD2 ARG 14 -7.437 16.395 -1.970 123 HD3 ARG 14 HD3 ARG 14 -8.813 16.528 -0.848 124 HE ARG 14 HE ARG 14 -8.755 18.637 -2.839 125 HH11 ARG 14 HH11 ARG 14 -9.708 15.324 -2.163 126 HH12 ARG 14 HH12 ARG 14 -10.977 15.314 -3.373 127 HH21 ARG 14 HH21 ARG 14 -10.400 18.615 -4.405 128 HH22 ARG 14 HH22 ARG 14 -11.368 17.172 -4.639 129 H ARG 15 H ARG 15 -5.895 16.809 3.353 130 HA ARG 15 HA ARG 15 -8.533 16.979 4.319 131 HB2 ARG 15 HB2 ARG 15 -6.503 15.445 4.937 132 HB3 ARG 15 HB3 ARG 15 -6.209 16.680 6.184 133 HG2 ARG 15 HG2 ARG 15 -8.262 16.250 7.258 134 HG3 ARG 15 HG3 ARG 15 -8.909 15.369 5.853 135 HD2 ARG 15 HD2 ARG 15 -7.447 13.506 6.247 136 HD3 ARG 15 HD3 ARG 15 -6.532 14.410 7.477 137 HE ARG 15 HE ARG 15 -9.324 14.158 8.164 138 HH11 ARG 15 HH11 ARG 15 -6.228 12.498 8.136 139 HH12 ARG 15 HH12 ARG 15 -6.645 11.444 9.473 140 HH21 ARG 15 HH21 ARG 15 -9.856 12.788 9.896 141 HH22 ARG 15 HH22 ARG 15 -8.693 11.607 10.467 142 H TRP 16 H TRP 16 -5.793 19.142 4.842 143 HA TRP 16 HA TRP 16 -6.946 20.581 7.051 144 HB2 TRP 16 HB2 TRP 16 -4.542 20.708 6.549 145 HB3 TRP 16 HB3 TRP 16 -4.891 21.437 4.963 146 HD1 TRP 16 HD1 TRP 16 -5.585 22.184 8.602 147 HE1 TRP 16 HE1 TRP 16 -5.341 24.850 8.986 148 HE3 TRP 16 HE3 TRP 16 -4.611 23.539 3.797 149 HZ2 TRP 16 HZ2 TRP 16 -4.815 27.030 7.378 150 HZ3 TRP 16 HZ3 TRP 16 -4.249 25.855 3.245 151 HH2 TRP 16 HH2 TRP 16 -4.338 27.636 4.981 152 H ARG 17 H ARG 17 -6.788 21.364 3.545 153 HA ARG 17 HA ARG 17 -8.278 23.742 3.640 154 HB2 ARG 17 HB2 ARG 17 -7.074 22.413 1.698 155 HB3 ARG 17 HB3 ARG 17 -8.720 21.794 1.419 156 HG2 ARG 17 HG2 ARG 17 -7.989 24.736 1.540 157 HG3 ARG 17 HG3 ARG 17 -8.120 23.797 0.033 158 HD2 ARG 17 HD2 ARG 17 -10.500 23.176 0.992 159 HD3 ARG 17 HD3 ARG 17 -10.274 24.662 1.945 160 HE ARG 17 HE ARG 17 -10.777 24.453 -0.917 161 HH11 ARG 17 HH11 ARG 17 -9.503 26.428 1.694 162 HH12 ARG 17 HH12 ARG 17 -9.727 27.935 0.828 163 HH21 ARG 17 HH21 ARG 17 -11.067 26.411 -2.033 164 HH22 ARG 17 HH22 ARG 17 -10.611 27.925 -1.278 165 H GLU 18 H GLU 18 -9.461 20.374 3.402 166 HA GLU 18 HA GLU 18 -12.220 21.041 3.126 167 HB2 GLU 18 HB2 GLU 18 -10.734 18.648 4.199 168 HB3 GLU 18 HB3 GLU 18 -12.512 18.731 4.196 169 HG2 GLU 18 HG2 GLU 18 -10.926 19.217 1.685 170 HG3 GLU 18 HG3 GLU 18 -11.286 17.561 2.228 171 H ARG 19 H ARG 19 -10.101 20.924 5.932 172 HA ARG 19 HA ARG 19 -12.228 20.916 7.893 173 HB2 ARG 19 HB2 ARG 19 -9.721 20.319 8.127 174 HB3 ARG 19 HB3 ARG 19 -9.485 22.074 8.300 175 HG2 ARG 19 HG2 ARG 19 -10.546 22.160 10.343 176 HG3 ARG 19 HG3 ARG 19 -11.554 20.735 9.998 177 HD2 ARG 19 HD2 ARG 19 -9.689 19.246 10.351 178 HD3 ARG 19 HD3 ARG 19 -8.557 20.614 10.471 179 HE ARG 19 HE ARG 19 -10.357 21.091 12.486 180 HH11 ARG 19 HH11 ARG 19 -8.365 18.352 11.552 181 HH12 ARG 19 HH12 ARG 19 -8.178 17.773 13.196 182 HH21 ARG 19 HH21 ARG 19 -10.109 20.334 14.614 183 HH22 ARG 19 HH22 ARG 19 -9.163 18.892 14.925 184 H GLN 20 H GLN 20 -10.520 23.430 6.089 185 HA GLN 20 HA GLN 20 -11.277 25.666 7.660 186 HB2 GLN 20 HB2 GLN 20 -9.778 25.330 5.478 187 HB3 GLN 20 HB3 GLN 20 -11.277 25.880 4.692 188 HG2 GLN 20 HG2 GLN 20 -10.406 27.943 5.034 189 HG3 GLN 20 HG3 GLN 20 -11.053 27.725 6.678 190 HE21 GLN 20 HE22 GLN 20 -9.467 26.421 8.157 191 HE22 GLN 20 HE21 GLN 20 -7.806 26.980 8.117 192 H ARG 21 H ARG 21 -13.146 23.676 5.464 193 HA ARG 21 HA ARG 21 -15.245 25.408 4.797 194 HB2 ARG 21 HB2 ARG 21 -14.750 22.869 4.285 195 HB3 ARG 21 HB3 ARG 21 -15.835 22.612 5.672 196 HG2 ARG 21 HG2 ARG 21 -17.367 24.320 4.333 197 HG3 ARG 21 HG3 ARG 21 -16.423 23.717 2.950 198 HD2 ARG 21 HD2 ARG 21 -17.010 21.368 3.727 199 HD3 ARG 21 HD3 ARG 21 -18.154 22.119 4.865 200 HE ARG 21 HE ARG 21 -18.652 23.120 2.252 201 HH11 ARG 21 HH11 ARG 21 -18.917 20.172 4.146 202 HH12 ARG 21 HH12 ARG 21 -20.279 19.561 3.228 203 HH21 ARG 21 HH21 ARG 21 -20.419 22.322 1.070 204 HH22 ARG 21 HH22 ARG 21 -21.128 20.775 1.491 205 H ALA 22 H ALA 22 -14.548 23.845 7.885 206 HA ALA 22 HA ALA 22 -17.105 24.378 9.066 207 HB1 ALA 22 HB1 ALA 22 -14.384 24.017 10.372 208 HB2 ALA 22 HB2 ALA 22 -15.961 23.923 11.192 209 HB3 ALA 22 HB3 ALA 22 -15.525 22.714 9.962 210 H ALA 23 H ALA 23 -14.096 26.251 8.837 211 HA ALA 23 HA ALA 23 -15.178 28.368 10.543 212 HB1 ALA 23 HB1 ALA 23 -12.667 28.261 8.835 213 HB2 ALA 23 HB2 ALA 23 -13.061 29.510 10.040 214 HB3 ALA 23 HB3 ALA 23 -12.774 27.832 10.559 215 H ALA 24 H ALA 24 -14.194 28.134 7.091 216 HA ALA 24 HA ALA 24 -15.216 30.686 6.381 217 HB1 ALA 24 HB1 ALA 24 -14.878 28.202 4.664 218 HB2 ALA 24 HB2 ALA 24 -15.070 29.868 4.069 219 HB3 ALA 24 HB3 ALA 24 -13.621 29.417 4.999 220 H ALA 25 H ALA 25 -16.738 27.459 6.360 221 HA ALA 25 HA ALA 25 -19.321 28.812 5.723 222 HB1 ALA 25 HB1 ALA 25 -18.510 25.901 5.409 223 HB2 ALA 25 HB2 ALA 25 -20.087 26.602 4.975 224 HB3 ALA 25 HB3 ALA 25 -18.621 27.099 4.098 225 H ARG 26 H ARG 26 -20.760 29.044 7.272 226 HA ARG 26 HA ARG 26 -20.349 27.704 9.851 227 HB2 ARG 26 HB2 ARG 26 -22.568 29.531 8.909 228 HB3 ARG 26 HB3 ARG 26 -22.216 29.053 10.587 229 HG2 ARG 26 HG2 ARG 26 -19.901 30.125 10.192 230 HG3 ARG 26 HG3 ARG 26 -20.648 30.886 8.768 231 HD2 ARG 26 HD2 ARG 26 -21.960 31.077 11.479 232 HD3 ARG 26 HD3 ARG 26 -20.634 32.179 11.037 233 HE ARG 26 HE ARG 26 -23.366 32.282 10.119 234 HH11 ARG 26 HH11 ARG 26 -20.033 32.931 9.216 235 HH12 ARG 26 HH12 ARG 26 -20.461 34.180 8.063 236 HH21 ARG 26 HH21 ARG 26 -23.913 33.901 8.623 237 HH22 ARG 26 HH22 ARG 26 -22.653 34.728 7.728 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 4.204 -0.513 -1.992 2 H2 GLY 1 H2 GLY 1 2.830 -1.344 -2.337 3 H3 GLY 1 H3 GLY 1 3.906 -1.819 -1.042 4 HA2 GLY 1 HA2 GLY 1 1.670 -0.276 -1.001 5 HA3 GLY 1 HA3 GLY 1 2.765 -0.760 0.316 6 H ALA 2 H ALA 2 5.047 0.555 -1.245 7 HA ALA 2 HA ALA 2 4.893 3.099 0.073 8 HB1 ALA 2 HB1 ALA 2 6.791 2.126 -2.092 9 HB2 ALA 2 HB2 ALA 2 7.029 3.551 -1.054 10 HB3 ALA 2 HB3 ALA 2 7.017 1.922 -0.338 11 H MET 3 H MET 3 4.092 2.000 -3.169 12 HA MET 3 HA MET 3 4.011 4.626 -4.370 13 HB2 MET 3 HB2 MET 3 2.952 3.568 -6.196 14 HB3 MET 3 HB3 MET 3 4.186 2.443 -5.579 15 HG2 MET 3 HG2 MET 3 2.277 1.363 -4.248 16 HG3 MET 3 HG3 MET 3 1.182 2.295 -5.297 17 HE1 MET 3 HE1 MET 3 2.707 -1.018 -4.747 18 HE2 MET 3 HE2 MET 3 3.417 -1.547 -6.291 19 HE3 MET 3 HE3 MET 3 4.211 -0.272 -5.337 20 H ALA 4 H ALA 4 1.705 2.683 -2.527 21 HA ALA 4 HA ALA 4 -0.595 4.263 -3.181 22 HB1 ALA 4 HB1 ALA 4 -0.022 2.565 -0.727 23 HB2 ALA 4 HB2 ALA 4 -1.619 3.161 -1.239 24 HB3 ALA 4 HB3 ALA 4 -0.740 1.988 -2.249 25 H THR 5 H THR 5 1.796 4.436 -0.535 26 HA THR 5 HA THR 5 0.473 6.570 0.882 27 HB THR 5 HB THR 5 3.001 6.947 1.625 28 HG1 THR 5 HG1 THR 5 4.162 4.958 1.394 29 HG21 THR 5 HG21 THR 5 1.425 4.435 2.322 30 HG22 THR 5 HG22 THR 5 2.730 5.148 3.299 31 HG23 THR 5 HG23 THR 5 1.207 6.038 3.064 32 H ARG 6 H ARG 6 2.587 6.509 -1.915 33 HA ARG 6 HA ARG 6 3.542 9.147 -1.901 34 HB2 ARG 6 HB2 ARG 6 3.874 7.161 -3.559 35 HB3 ARG 6 HB3 ARG 6 2.483 7.880 -4.404 36 HG2 ARG 6 HG2 ARG 6 4.859 9.570 -3.654 37 HG3 ARG 6 HG3 ARG 6 4.910 8.546 -5.108 38 HD2 ARG 6 HD2 ARG 6 2.755 9.643 -5.843 39 HD3 ARG 6 HD3 ARG 6 2.945 10.777 -4.484 40 HE ARG 6 HE ARG 6 4.484 11.936 -5.729 41 HH11 ARG 6 HH11 ARG 6 4.213 8.666 -6.983 42 HH12 ARG 6 HH12 ARG 6 5.275 8.970 -8.344 43 HH21 ARG 6 HH21 ARG 6 5.860 12.323 -7.495 44 HH22 ARG 6 HH22 ARG 6 6.206 11.036 -8.634 45 H GLN 7 H GLN 7 0.532 8.012 -3.517 46 HA GLN 7 HA GLN 7 -0.387 10.672 -4.077 47 HB2 GLN 7 HB2 GLN 7 -1.140 8.673 -5.278 48 HB3 GLN 7 HB3 GLN 7 -1.916 8.077 -3.792 49 HG2 GLN 7 HG2 GLN 7 -3.626 9.643 -3.892 50 HG3 GLN 7 HG3 GLN 7 -2.663 10.781 -4.863 51 HE21 GLN 7 HE22 GLN 7 -2.165 10.110 -7.125 52 HE22 GLN 7 HE21 GLN 7 -3.399 9.225 -8.000 53 H ALA 8 H ALA 8 -0.619 8.613 -1.245 54 HA ALA 8 HA ALA 8 -2.816 9.748 0.051 55 HB1 ALA 8 HB1 ALA 8 -0.182 8.865 1.283 56 HB2 ALA 8 HB2 ALA 8 -1.728 9.061 2.143 57 HB3 ALA 8 HB3 ALA 8 -1.559 7.805 0.894 58 H ARG 9 H ARG 9 0.507 11.002 -0.195 59 HA ARG 9 HA ARG 9 0.362 13.085 1.675 60 HB2 ARG 9 HB2 ARG 9 1.620 13.301 -1.059 61 HB3 ARG 9 HB3 ARG 9 2.081 14.155 0.433 62 HG2 ARG 9 HG2 ARG 9 2.289 11.493 1.148 63 HG3 ARG 9 HG3 ARG 9 2.851 11.495 -0.540 64 HD2 ARG 9 HD2 ARG 9 4.064 13.743 0.607 65 HD3 ARG 9 HD3 ARG 9 4.171 12.490 1.866 66 HE ARG 9 HE ARG 9 5.749 11.403 0.598 67 HH11 ARG 9 HH11 ARG 9 3.927 13.605 -1.445 68 HH12 ARG 9 HH12 ARG 9 4.939 13.332 -2.850 69 HH21 ARG 9 HH21 ARG 9 7.055 11.055 -1.226 70 HH22 ARG 9 HH22 ARG 9 6.707 11.891 -2.727 71 H ARG 10 H ARG 10 -0.848 13.019 -1.681 72 HA ARG 10 HA ARG 10 -1.607 15.753 -1.830 73 HB2 ARG 10 HB2 ARG 10 -3.047 13.408 -3.077 74 HB3 ARG 10 HB3 ARG 10 -3.017 15.096 -3.640 75 HG2 ARG 10 HG2 ARG 10 -0.563 14.858 -4.045 76 HG3 ARG 10 HG3 ARG 10 -0.701 13.135 -3.620 77 HD2 ARG 10 HD2 ARG 10 -0.917 12.973 -5.905 78 HD3 ARG 10 HD3 ARG 10 -2.625 13.215 -5.466 79 HE ARG 10 HE ARG 10 -1.613 15.767 -5.857 80 HH11 ARG 10 HH11 ARG 10 -1.874 12.813 -7.740 81 HH12 ARG 10 HH12 ARG 10 -1.996 13.656 -9.272 82 HH21 ARG 10 HH21 ARG 10 -1.774 16.852 -7.846 83 HH22 ARG 10 HH22 ARG 10 -1.939 15.938 -9.332 84 H ASN 11 H ASN 11 -3.780 12.951 -1.210 85 HA ASN 11 HA ASN 11 -6.011 14.501 -0.431 86 HB2 ASN 11 HB2 ASN 11 -5.151 11.719 0.437 87 HB3 ASN 11 HB3 ASN 11 -6.757 12.426 0.733 88 HD21 ASN 11 HD22 ASN 11 -4.635 10.905 -1.559 89 HD22 ASN 11 HD21 ASN 11 -5.776 10.815 -2.886 90 H ARG 12 H ARG 12 -3.203 13.425 1.444 91 HA ARG 12 HA ARG 12 -4.125 13.911 4.044 92 HB2 ARG 12 HB2 ARG 12 -1.534 13.880 2.647 93 HB3 ARG 12 HB3 ARG 12 -1.572 14.867 4.127 94 HG2 ARG 12 HG2 ARG 12 -2.372 11.946 3.926 95 HG3 ARG 12 HG3 ARG 12 -0.823 12.549 4.561 96 HD2 ARG 12 HD2 ARG 12 -2.181 13.888 6.248 97 HD3 ARG 12 HD3 ARG 12 -3.600 12.955 5.714 98 HE ARG 12 HE ARG 12 -2.831 11.141 6.911 99 HH11 ARG 12 HH11 ARG 12 -0.240 13.478 6.501 100 HH12 ARG 12 HH12 ARG 12 0.855 12.636 7.581 101 HH21 ARG 12 HH21 ARG 12 -1.408 10.058 8.312 102 HH22 ARG 12 HH22 ARG 12 0.195 10.705 8.604 103 H ARG 13 H ARG 13 -2.541 16.277 1.848 104 HA ARG 13 HA ARG 13 -3.013 18.484 3.664 105 HB2 ARG 13 HB2 ARG 13 -2.522 18.639 0.694 106 HB3 ARG 13 HB3 ARG 13 -2.151 19.851 1.944 107 HG2 ARG 13 HG2 ARG 13 -0.807 17.150 1.602 108 HG3 ARG 13 HG3 ARG 13 -0.112 18.729 1.165 109 HD2 ARG 13 HD2 ARG 13 -0.963 18.951 3.857 110 HD3 ARG 13 HD3 ARG 13 -0.131 17.384 3.727 111 HE ARG 13 HE ARG 13 1.877 18.487 3.390 112 HH11 ARG 13 HH11 ARG 13 -0.811 20.731 3.095 113 HH12 ARG 13 HH12 ARG 13 0.219 22.149 3.064 114 HH21 ARG 13 HH21 ARG 13 3.204 20.329 3.349 115 HH22 ARG 13 HH22 ARG 13 2.487 21.922 3.207 116 H ARG 14 H ARG 14 -4.715 17.168 0.830 117 HA ARG 14 HA ARG 14 -6.565 19.291 0.483 118 HB2 ARG 14 HB2 ARG 14 -6.945 16.317 0.073 119 HB3 ARG 14 HB3 ARG 14 -7.986 17.604 -0.581 120 HG2 ARG 14 HG2 ARG 14 -5.051 17.641 -1.198 121 HG3 ARG 14 HG3 ARG 14 -6.099 16.490 -2.061 122 HD2 ARG 14 HD2 ARG 14 -6.939 19.368 -1.868 123 HD3 ARG 14 HD3 ARG 14 -5.666 18.918 -3.028 124 HE ARG 14 HE ARG 14 -8.007 17.220 -3.210 125 HH11 ARG 14 HH11 ARG 14 -6.591 20.289 -4.169 126 HH12 ARG 14 HH12 ARG 14 -7.572 20.429 -5.615 127 HH21 ARG 14 HH21 ARG 14 -9.276 17.409 -5.086 128 HH22 ARG 14 HH22 ARG 14 -9.089 18.803 -6.133 129 H ARG 15 H ARG 15 -6.577 16.538 2.728 130 HA ARG 15 HA ARG 15 -9.263 16.868 3.645 131 HB2 ARG 15 HB2 ARG 15 -7.422 15.008 4.027 132 HB3 ARG 15 HB3 ARG 15 -7.077 15.981 5.476 133 HG2 ARG 15 HG2 ARG 15 -9.392 15.738 6.217 134 HG3 ARG 15 HG3 ARG 15 -9.784 14.822 4.743 135 HD2 ARG 15 HD2 ARG 15 -7.807 13.272 5.556 136 HD3 ARG 15 HD3 ARG 15 -8.167 13.996 7.141 137 HE ARG 15 HE ARG 15 -10.069 12.709 7.259 138 HH11 ARG 15 HH11 ARG 15 -8.983 12.887 3.922 139 HH12 ARG 15 HH12 ARG 15 -10.167 11.730 3.347 140 HH21 ARG 15 HH21 ARG 15 -11.598 11.209 6.508 141 HH22 ARG 15 HH22 ARG 15 -11.646 10.781 4.809 142 H TRP 16 H TRP 16 -6.216 18.425 4.581 143 HA TRP 16 HA TRP 16 -7.203 19.699 6.943 144 HB2 TRP 16 HB2 TRP 16 -4.752 19.456 6.057 145 HB3 TRP 16 HB3 TRP 16 -5.112 20.934 5.133 146 HD1 TRP 16 HD1 TRP 16 -6.289 20.236 8.621 147 HE1 TRP 16 HE1 TRP 16 -5.234 22.092 10.283 148 HE3 TRP 16 HE3 TRP 16 -3.251 22.579 5.283 149 HZ2 TRP 16 HZ2 TRP 16 -3.409 24.146 10.033 150 HZ3 TRP 16 HZ3 TRP 16 -1.895 24.441 5.981 151 HH2 TRP 16 HH2 TRP 16 -1.923 25.262 8.331 152 H ARG 17 H ARG 17 -6.905 20.939 3.583 153 HA ARG 17 HA ARG 17 -7.986 23.488 4.020 154 HB2 ARG 17 HB2 ARG 17 -7.046 22.238 1.888 155 HB3 ARG 17 HB3 ARG 17 -8.776 21.943 1.590 156 HG2 ARG 17 HG2 ARG 17 -7.632 24.698 2.110 157 HG3 ARG 17 HG3 ARG 17 -7.774 24.003 0.478 158 HD2 ARG 17 HD2 ARG 17 -10.266 23.585 1.156 159 HD3 ARG 17 HD3 ARG 17 -9.949 24.812 2.404 160 HE ARG 17 HE ARG 17 -9.111 25.707 -0.202 161 HH11 ARG 17 HH11 ARG 17 -11.908 25.230 1.869 162 HH12 ARG 17 HH12 ARG 17 -12.852 26.484 1.087 163 HH21 ARG 17 HH21 ARG 17 -10.340 27.332 -1.208 164 HH22 ARG 17 HH22 ARG 17 -11.966 27.670 -0.650 165 H GLU 18 H GLU 18 -9.731 20.435 3.342 166 HA GLU 18 HA GLU 18 -12.337 21.608 3.308 167 HB2 GLU 18 HB2 GLU 18 -11.212 18.866 3.738 168 HB3 GLU 18 HB3 GLU 18 -12.930 19.177 4.087 169 HG2 GLU 18 HG2 GLU 18 -12.854 20.267 1.675 170 HG3 GLU 18 HG3 GLU 18 -11.464 19.174 1.480 171 H ARG 19 H ARG 19 -10.285 20.447 5.954 172 HA ARG 19 HA ARG 19 -12.291 20.467 7.985 173 HB2 ARG 19 HB2 ARG 19 -10.000 19.450 8.105 174 HB3 ARG 19 HB3 ARG 19 -9.350 21.098 8.279 175 HG2 ARG 19 HG2 ARG 19 -11.087 21.231 10.259 176 HG3 ARG 19 HG3 ARG 19 -10.960 19.456 10.208 177 HD2 ARG 19 HD2 ARG 19 -8.595 19.534 10.614 178 HD3 ARG 19 HD3 ARG 19 -8.555 21.299 10.388 179 HE ARG 19 HE ARG 19 -10.299 20.457 12.551 180 HH11 ARG 19 HH11 ARG 19 -6.998 21.216 11.619 181 HH12 ARG 19 HH12 ARG 19 -6.506 21.638 13.248 182 HH21 ARG 19 HH21 ARG 19 -9.656 21.010 14.657 183 HH22 ARG 19 HH22 ARG 19 -8.008 21.522 14.965 184 H GLN 20 H GLN 20 -10.261 23.038 6.623 185 HA GLN 20 HA GLN 20 -11.024 24.993 8.630 186 HB2 GLN 20 HB2 GLN 20 -9.014 24.852 6.896 187 HB3 GLN 20 HB3 GLN 20 -10.157 25.770 5.887 188 HG2 GLN 20 HG2 GLN 20 -10.230 27.574 7.425 189 HG3 GLN 20 HG3 GLN 20 -9.454 26.613 8.706 190 HE21 GLN 20 HE22 GLN 20 -7.232 25.610 7.790 191 HE22 GLN 20 HE21 GLN 20 -6.162 26.826 7.120 192 H ARG 21 H ARG 21 -12.419 23.834 5.634 193 HA ARG 21 HA ARG 21 -14.032 26.000 4.894 194 HB2 ARG 21 HB2 ARG 21 -13.719 23.544 3.962 195 HB3 ARG 21 HB3 ARG 21 -15.188 23.248 4.922 196 HG2 ARG 21 HG2 ARG 21 -16.017 25.432 3.650 197 HG3 ARG 21 HG3 ARG 21 -14.800 24.909 2.461 198 HD2 ARG 21 HD2 ARG 21 -15.949 22.575 2.689 199 HD3 ARG 21 HD3 ARG 21 -17.307 23.499 3.373 200 HE ARG 21 HE ARG 21 -16.778 24.835 1.054 201 HH11 ARG 21 HH11 ARG 21 -17.310 21.450 1.837 202 HH12 ARG 21 HH12 ARG 21 -18.020 21.077 0.279 203 HH21 ARG 21 HH21 ARG 21 -17.702 24.342 -0.962 204 HH22 ARG 21 HH22 ARG 21 -18.242 22.709 -1.302 205 H ALA 22 H ALA 22 -14.405 23.784 7.615 206 HA ALA 22 HA ALA 22 -17.107 24.437 8.229 207 HB1 ALA 22 HB1 ALA 22 -14.854 23.586 10.081 208 HB2 ALA 22 HB2 ALA 22 -16.593 23.532 10.454 209 HB3 ALA 22 HB3 ALA 22 -15.925 22.493 9.172 210 H ALA 23 H ALA 23 -14.021 25.910 9.262 211 HA ALA 23 HA ALA 23 -15.440 27.894 10.878 212 HB1 ALA 23 HB1 ALA 23 -12.511 27.669 10.100 213 HB2 ALA 23 HB2 ALA 23 -13.190 28.777 11.316 214 HB3 ALA 23 HB3 ALA 23 -13.248 27.018 11.583 215 H ALA 24 H ALA 24 -13.329 28.024 7.968 216 HA ALA 24 HA ALA 24 -13.694 30.748 7.418 217 HB1 ALA 24 HB1 ALA 24 -13.362 28.464 5.441 218 HB2 ALA 24 HB2 ALA 24 -13.062 30.187 5.112 219 HB3 ALA 24 HB3 ALA 24 -12.044 29.315 6.282 220 H ALA 25 H ALA 25 -15.696 27.972 6.382 221 HA ALA 25 HA ALA 25 -17.735 29.956 5.474 222 HB1 ALA 25 HB1 ALA 25 -17.335 27.062 4.638 223 HB2 ALA 25 HB2 ALA 25 -18.595 28.163 4.032 224 HB3 ALA 25 HB3 ALA 25 -16.882 28.494 3.684 225 H ARG 26 H ARG 26 -19.765 29.922 6.256 226 HA ARG 26 HA ARG 26 -20.209 28.272 8.662 227 HB2 ARG 26 HB2 ARG 26 -21.894 30.398 7.319 228 HB3 ARG 26 HB3 ARG 26 -22.243 29.622 8.883 229 HG2 ARG 26 HG2 ARG 26 -19.990 30.507 9.670 230 HG3 ARG 26 HG3 ARG 26 -19.963 31.490 8.186 231 HD2 ARG 26 HD2 ARG 26 -22.370 32.217 9.004 232 HD3 ARG 26 HD3 ARG 26 -21.756 31.697 10.591 233 HE ARG 26 HE ARG 26 -19.834 33.400 9.389 234 HH11 ARG 26 HH11 ARG 26 -23.076 33.492 10.738 235 HH12 ARG 26 HH12 ARG 26 -22.948 35.164 11.248 236 HH21 ARG 26 HH21 ARG 26 -19.674 35.565 10.057 237 HH22 ARG 26 HH22 ARG 26 -21.026 36.335 10.864 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 0.567 1.684 1.744 2 H2 GLY 1 H2 GLY 1 0.533 0.229 2.504 3 H3 GLY 1 H3 GLY 1 -0.074 0.446 0.878 4 HA2 GLY 1 HA2 GLY 1 2.362 -0.373 1.758 5 HA3 GLY 1 HA3 GLY 1 1.745 -0.153 0.103 6 H ALA 2 H ALA 2 4.062 0.450 -0.264 7 HA ALA 2 HA ALA 2 4.970 2.988 0.811 8 HB1 ALA 2 HB1 ALA 2 5.998 1.336 -1.524 9 HB2 ALA 2 HB2 ALA 2 6.845 2.696 -0.750 10 HB3 ALA 2 HB3 ALA 2 6.539 1.202 0.166 11 H MET 3 H MET 3 3.860 1.913 -2.435 12 HA MET 3 HA MET 3 4.004 4.449 -3.682 13 HB2 MET 3 HB2 MET 3 2.390 3.553 -5.270 14 HB3 MET 3 HB3 MET 3 3.685 2.386 -4.909 15 HG2 MET 3 HG2 MET 3 2.256 1.039 -3.600 16 HG3 MET 3 HG3 MET 3 1.019 2.314 -3.494 17 HE1 MET 3 HE1 MET 3 -0.075 3.295 -5.914 18 HE2 MET 3 HE2 MET 3 -1.066 1.989 -6.607 19 HE3 MET 3 HE3 MET 3 -1.059 2.263 -4.849 20 H ALA 4 H ALA 4 1.649 3.146 -1.429 21 HA ALA 4 HA ALA 4 -0.409 5.070 -2.002 22 HB1 ALA 4 HB1 ALA 4 0.146 3.480 0.528 23 HB2 ALA 4 HB2 ALA 4 -1.369 4.329 0.134 24 HB3 ALA 4 HB3 ALA 4 -0.847 2.939 -0.847 25 H THR 5 H THR 5 2.324 5.004 0.280 26 HA THR 5 HA THR 5 1.672 7.274 1.825 27 HB THR 5 HB THR 5 4.473 6.617 0.852 28 HG1 THR 5 HG1 THR 5 4.526 5.157 2.647 29 HG21 THR 5 HG21 THR 5 3.386 7.737 3.467 30 HG22 THR 5 HG22 THR 5 5.100 7.434 3.099 31 HG23 THR 5 HG23 THR 5 4.202 8.675 2.194 32 H ARG 6 H ARG 6 2.880 7.094 -1.477 33 HA ARG 6 HA ARG 6 3.633 9.869 -1.661 34 HB2 ARG 6 HB2 ARG 6 4.081 7.753 -3.193 35 HB3 ARG 6 HB3 ARG 6 2.614 8.340 -4.012 36 HG2 ARG 6 HG2 ARG 6 4.208 9.461 -5.224 37 HG3 ARG 6 HG3 ARG 6 3.908 10.650 -3.934 38 HD2 ARG 6 HD2 ARG 6 6.259 10.516 -4.057 39 HD3 ARG 6 HD3 ARG 6 5.832 9.484 -2.671 40 HE ARG 6 HE ARG 6 5.991 7.990 -5.138 41 HH11 ARG 6 HH11 ARG 6 7.869 9.427 -2.539 42 HH12 ARG 6 HH12 ARG 6 9.210 8.314 -2.729 43 HH21 ARG 6 HH21 ARG 6 7.731 6.552 -5.377 44 HH22 ARG 6 HH22 ARG 6 9.132 6.690 -4.333 45 H GLN 7 H GLN 7 0.757 8.169 -3.003 46 HA GLN 7 HA GLN 7 -0.613 10.565 -3.711 47 HB2 GLN 7 HB2 GLN 7 -1.026 8.088 -4.358 48 HB3 GLN 7 HB3 GLN 7 -1.996 8.035 -2.867 49 HG2 GLN 7 HG2 GLN 7 -3.604 8.544 -4.466 50 HG3 GLN 7 HG3 GLN 7 -3.158 10.157 -3.860 51 HE21 GLN 7 HE22 GLN 7 -4.397 10.098 -6.235 52 HE22 GLN 7 HE21 GLN 7 -3.271 10.399 -7.544 53 H ALA 8 H ALA 8 -0.293 8.881 -0.650 54 HA ALA 8 HA ALA 8 -2.536 9.953 0.685 55 HB1 ALA 8 HB1 ALA 8 0.217 9.320 1.802 56 HB2 ALA 8 HB2 ALA 8 -1.280 9.509 2.747 57 HB3 ALA 8 HB3 ALA 8 -1.117 8.160 1.598 58 H ARG 9 H ARG 9 0.586 11.409 -0.090 59 HA ARG 9 HA ARG 9 0.503 13.619 1.672 60 HB2 ARG 9 HB2 ARG 9 1.510 13.552 -1.179 61 HB3 ARG 9 HB3 ARG 9 1.961 14.720 0.086 62 HG2 ARG 9 HG2 ARG 9 2.413 11.782 0.530 63 HG3 ARG 9 HG3 ARG 9 3.547 12.703 -0.487 64 HD2 ARG 9 HD2 ARG 9 3.857 14.318 1.385 65 HD3 ARG 9 HD3 ARG 9 2.802 13.305 2.399 66 HE ARG 9 HE ARG 9 5.060 11.872 1.252 67 HH11 ARG 9 HH11 ARG 9 3.922 13.878 3.903 68 HH12 ARG 9 HH12 ARG 9 5.138 13.299 5.024 69 HH21 ARG 9 HH21 ARG 9 6.633 11.127 2.711 70 HH22 ARG 9 HH22 ARG 9 6.670 11.745 4.351 71 H ARG 10 H ARG 10 -0.496 13.625 -1.786 72 HA ARG 10 HA ARG 10 -1.809 16.169 -1.575 73 HB2 ARG 10 HB2 ARG 10 -2.770 15.603 -3.739 74 HB3 ARG 10 HB3 ARG 10 -1.020 15.289 -3.685 75 HG2 ARG 10 HG2 ARG 10 -1.485 12.884 -3.330 76 HG3 ARG 10 HG3 ARG 10 -3.229 13.220 -3.452 77 HD2 ARG 10 HD2 ARG 10 -1.132 13.600 -5.618 78 HD3 ARG 10 HD3 ARG 10 -2.437 12.390 -5.590 79 HE ARG 10 HE ARG 10 -2.627 15.141 -6.438 80 HH11 ARG 10 HH11 ARG 10 -4.384 12.497 -4.934 81 HH12 ARG 10 HH12 ARG 10 -5.953 13.086 -5.449 82 HH21 ARG 10 HH21 ARG 10 -4.662 15.897 -7.103 83 HH22 ARG 10 HH22 ARG 10 -6.110 15.007 -6.674 84 H ASN 11 H ASN 11 -2.903 12.836 -1.100 85 HA ASN 11 HA ASN 11 -5.712 13.413 -1.080 86 HB2 ASN 11 HB2 ASN 11 -3.944 11.200 -0.084 87 HB3 ASN 11 HB3 ASN 11 -5.631 11.278 0.478 88 HD21 ASN 11 HD22 ASN 11 -4.038 9.427 -1.381 89 HD22 ASN 11 HD21 ASN 11 -5.044 9.316 -2.813 90 H ARG 12 H ARG 12 -3.175 13.849 1.301 91 HA ARG 12 HA ARG 12 -5.046 14.179 3.527 92 HB2 ARG 12 HB2 ARG 12 -2.834 13.339 3.952 93 HB3 ARG 12 HB3 ARG 12 -2.101 14.759 3.168 94 HG2 ARG 12 HG2 ARG 12 -3.919 15.484 5.341 95 HG3 ARG 12 HG3 ARG 12 -2.589 14.436 5.889 96 HD2 ARG 12 HD2 ARG 12 -1.009 16.031 5.532 97 HD3 ARG 12 HD3 ARG 12 -1.803 16.631 4.057 98 HE ARG 12 HE ARG 12 -3.381 17.356 6.299 99 HH11 ARG 12 HH11 ARG 12 -0.270 18.055 4.825 100 HH12 ARG 12 HH12 ARG 12 -0.209 19.695 5.440 101 HH21 ARG 12 HH21 ARG 12 -3.298 19.482 7.092 102 HH22 ARG 12 HH22 ARG 12 -1.921 20.502 6.722 103 H ARG 13 H ARG 13 -2.835 16.412 1.772 104 HA ARG 13 HA ARG 13 -3.885 18.774 2.981 105 HB2 ARG 13 HB2 ARG 13 -2.811 19.942 1.126 106 HB3 ARG 13 HB3 ARG 13 -1.742 18.734 1.876 107 HG2 ARG 13 HG2 ARG 13 -2.622 17.176 -0.036 108 HG3 ARG 13 HG3 ARG 13 -3.059 18.708 -0.829 109 HD2 ARG 13 HD2 ARG 13 -0.827 17.938 -1.538 110 HD3 ARG 13 HD3 ARG 13 -0.732 19.479 -0.651 111 HE ARG 13 HE ARG 13 -0.372 17.256 1.125 112 HH11 ARG 13 HH11 ARG 13 1.228 19.138 -1.373 113 HH12 ARG 13 HH12 ARG 13 2.837 18.814 -0.757 114 HH21 ARG 13 HH21 ARG 13 1.716 16.843 1.919 115 HH22 ARG 13 HH22 ARG 13 3.112 17.517 1.103 116 H ARG 14 H ARG 14 -5.035 16.794 0.327 117 HA ARG 14 HA ARG 14 -6.713 18.723 -0.938 118 HB2 ARG 14 HB2 ARG 14 -6.172 16.606 -1.964 119 HB3 ARG 14 HB3 ARG 14 -6.966 15.725 -0.637 120 HG2 ARG 14 HG2 ARG 14 -9.131 16.690 -1.288 121 HG3 ARG 14 HG3 ARG 14 -8.339 17.580 -2.610 122 HD2 ARG 14 HD2 ARG 14 -7.802 15.563 -3.771 123 HD3 ARG 14 HD3 ARG 14 -8.226 14.560 -2.363 124 HE ARG 14 HE ARG 14 -10.444 14.648 -2.991 125 HH11 ARG 14 HH11 ARG 14 -8.620 17.114 -4.703 126 HH12 ARG 14 HH12 ARG 14 -9.951 17.537 -5.761 127 HH21 ARG 14 HH21 ARG 14 -12.165 15.201 -4.366 128 HH22 ARG 14 HH22 ARG 14 -11.955 16.456 -5.571 129 H ARG 15 H ARG 15 -7.694 16.137 1.363 130 HA ARG 15 HA ARG 15 -10.302 17.228 1.784 131 HB2 ARG 15 HB2 ARG 15 -8.563 15.398 3.445 132 HB3 ARG 15 HB3 ARG 15 -10.252 15.797 3.841 133 HG2 ARG 15 HG2 ARG 15 -10.678 14.979 1.363 134 HG3 ARG 15 HG3 ARG 15 -9.146 14.110 1.620 135 HD2 ARG 15 HD2 ARG 15 -11.657 13.901 3.322 136 HD3 ARG 15 HD3 ARG 15 -11.033 12.668 2.201 137 HE ARG 15 HE ARG 15 -8.996 13.249 4.066 138 HH11 ARG 15 HH11 ARG 15 -12.216 11.849 3.964 139 HH12 ARG 15 HH12 ARG 15 -11.930 10.786 5.329 140 HH21 ARG 15 HH21 ARG 15 -8.631 11.870 5.831 141 HH22 ARG 15 HH22 ARG 15 -9.904 10.798 6.384 142 H TRP 16 H TRP 16 -7.179 17.977 3.191 143 HA TRP 16 HA TRP 16 -7.971 19.201 5.597 144 HB2 TRP 16 HB2 TRP 16 -5.591 18.804 4.733 145 HB3 TRP 16 HB3 TRP 16 -5.798 20.281 3.762 146 HD1 TRP 16 HD1 TRP 16 -6.874 19.694 7.322 147 HE1 TRP 16 HE1 TRP 16 -5.670 21.532 8.898 148 HE3 TRP 16 HE3 TRP 16 -3.978 21.919 3.784 149 HZ2 TRP 16 HZ2 TRP 16 -3.802 23.528 8.520 150 HZ3 TRP 16 HZ3 TRP 16 -2.523 23.742 4.384 151 HH2 TRP 16 HH2 TRP 16 -2.391 24.586 6.723 152 H ARG 17 H ARG 17 -7.782 20.648 2.323 153 HA ARG 17 HA ARG 17 -8.568 23.266 3.087 154 HB2 ARG 17 HB2 ARG 17 -7.720 22.221 0.823 155 HB3 ARG 17 HB3 ARG 17 -9.462 22.054 0.502 156 HG2 ARG 17 HG2 ARG 17 -8.352 24.692 1.421 157 HG3 ARG 17 HG3 ARG 17 -8.170 24.204 -0.281 158 HD2 ARG 17 HD2 ARG 17 -10.659 23.812 -0.348 159 HD3 ARG 17 HD3 ARG 17 -10.757 24.527 1.278 160 HE ARG 17 HE ARG 17 -9.388 26.283 -0.531 161 HH11 ARG 17 HH11 ARG 17 -12.569 25.074 0.343 162 HH12 ARG 17 HH12 ARG 17 -13.403 26.513 -0.212 163 HH21 ARG 17 HH21 ARG 17 -10.476 28.143 -1.250 164 HH22 ARG 17 HH22 ARG 17 -12.221 28.246 -1.112 165 H GLU 18 H GLU 18 -10.606 20.591 1.804 166 HA GLU 18 HA GLU 18 -13.079 21.931 2.028 167 HB2 GLU 18 HB2 GLU 18 -12.357 19.012 2.324 168 HB3 GLU 18 HB3 GLU 18 -14.027 19.622 2.255 169 HG2 GLU 18 HG2 GLU 18 -11.904 19.760 0.102 170 HG3 GLU 18 HG3 GLU 18 -13.424 18.834 0.073 171 H ARG 19 H ARG 19 -11.239 20.119 4.480 172 HA ARG 19 HA ARG 19 -13.316 20.270 6.484 173 HB2 ARG 19 HB2 ARG 19 -11.477 18.616 6.468 174 HB3 ARG 19 HB3 ARG 19 -10.325 19.934 6.786 175 HG2 ARG 19 HG2 ARG 19 -10.738 18.901 8.886 176 HG3 ARG 19 HG3 ARG 19 -11.654 20.427 8.890 177 HD2 ARG 19 HD2 ARG 19 -12.953 18.502 9.808 178 HD3 ARG 19 HD3 ARG 19 -13.715 19.247 8.382 179 HE ARG 19 HE ARG 19 -13.470 17.260 7.249 180 HH11 ARG 19 HH11 ARG 19 -11.333 17.294 10.037 181 HH12 ARG 19 HH12 ARG 19 -10.844 15.622 9.835 182 HH21 ARG 19 HH21 ARG 19 -12.834 15.093 6.996 183 HH22 ARG 19 HH22 ARG 19 -11.692 14.380 8.118 184 H GLN 20 H GLN 20 -10.747 22.432 5.435 185 HA GLN 20 HA GLN 20 -10.584 24.085 7.732 186 HB2 GLN 20 HB2 GLN 20 -9.334 24.019 5.374 187 HB3 GLN 20 HB3 GLN 20 -10.504 25.313 5.023 188 HG2 GLN 20 HG2 GLN 20 -9.626 26.726 6.677 189 HG3 GLN 20 HG3 GLN 20 -8.807 25.388 7.517 190 HE21 GLN 20 HE22 GLN 20 -7.103 24.230 6.124 191 HE22 GLN 20 HE21 GLN 20 -6.035 25.274 5.207 192 H ARG 21 H ARG 21 -13.080 23.807 5.291 193 HA ARG 21 HA ARG 21 -14.350 26.294 5.506 194 HB2 ARG 21 HB2 ARG 21 -14.879 24.084 4.161 195 HB3 ARG 21 HB3 ARG 21 -15.980 23.791 5.528 196 HG2 ARG 21 HG2 ARG 21 -16.068 26.470 4.206 197 HG3 ARG 21 HG3 ARG 21 -16.753 25.087 3.319 198 HD2 ARG 21 HD2 ARG 21 -17.976 24.580 5.577 199 HD3 ARG 21 HD3 ARG 21 -17.611 26.281 5.952 200 HE ARG 21 HE ARG 21 -19.273 26.921 4.499 201 HH11 ARG 21 HH11 ARG 21 -18.308 23.619 3.785 202 HH12 ARG 21 HH12 ARG 21 -19.571 23.379 2.594 203 HH21 ARG 21 HH21 ARG 21 -20.910 26.600 2.959 204 HH22 ARG 21 HH22 ARG 21 -21.041 25.063 2.127 205 H ALA 22 H ALA 22 -14.291 23.626 7.816 206 HA ALA 22 HA ALA 22 -16.447 24.542 9.441 207 HB1 ALA 22 HB1 ALA 22 -13.975 22.951 10.215 208 HB2 ALA 22 HB2 ALA 22 -15.471 23.092 11.169 209 HB3 ALA 22 HB3 ALA 22 -15.497 22.273 9.589 210 H ALA 23 H ALA 23 -12.954 25.267 9.487 211 HA ALA 23 HA ALA 23 -13.279 27.015 11.813 212 HB1 ALA 23 HB1 ALA 23 -10.907 26.553 9.970 213 HB2 ALA 23 HB2 ALA 23 -10.878 27.442 11.512 214 HB3 ALA 23 HB3 ALA 23 -11.223 25.696 11.497 215 H ALA 24 H ALA 24 -12.321 27.489 8.378 216 HA ALA 24 HA ALA 24 -12.279 30.306 8.475 217 HB1 ALA 24 HB1 ALA 24 -13.004 28.499 6.143 218 HB2 ALA 24 HB2 ALA 24 -12.505 30.203 6.032 219 HB3 ALA 24 HB3 ALA 24 -11.357 28.977 6.618 220 H ALA 25 H ALA 25 -14.988 28.073 7.858 221 HA ALA 25 HA ALA 25 -16.801 30.445 8.003 222 HB1 ALA 25 HB1 ALA 25 -17.226 27.784 6.601 223 HB2 ALA 25 HB2 ALA 25 -18.386 29.132 6.664 224 HB3 ALA 25 HB3 ALA 25 -16.839 29.329 5.808 225 H ARG 26 H ARG 26 -18.205 30.569 9.611 226 HA ARG 26 HA ARG 26 -18.460 28.199 11.403 227 HB2 ARG 26 HB2 ARG 26 -18.773 31.166 11.721 228 HB3 ARG 26 HB3 ARG 26 -19.591 30.050 12.841 229 HG2 ARG 26 HG2 ARG 26 -17.561 29.206 13.671 230 HG3 ARG 26 HG3 ARG 26 -16.632 29.837 12.291 231 HD2 ARG 26 HD2 ARG 26 -17.964 31.501 14.459 232 HD3 ARG 26 HD3 ARG 26 -16.221 31.167 14.324 233 HE ARG 26 HE ARG 26 -17.053 32.322 11.895 234 HH11 ARG 26 HH11 ARG 26 -16.786 33.168 15.295 235 HH12 ARG 26 HH12 ARG 26 -16.522 34.871 14.975 236 HH21 ARG 26 HH21 ARG 26 -16.709 34.531 11.489 237 HH22 ARG 26 HH22 ARG 26 -16.478 35.641 12.826 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 5.324 -0.499 -0.996 2 H2 GLY 1 H2 GLY 1 4.388 -1.510 -1.889 3 H3 GLY 1 H3 GLY 1 4.446 -1.592 -0.142 4 HA2 GLY 1 HA2 GLY 1 2.720 -0.295 -1.792 5 HA3 GLY 1 HA3 GLY 1 2.779 -0.378 -0.015 6 H ALA 2 H ALA 2 5.172 0.987 -2.299 7 HA ALA 2 HA ALA 2 5.349 3.414 -0.728 8 HB1 ALA 2 HB1 ALA 2 6.490 2.733 -3.461 9 HB2 ALA 2 HB2 ALA 2 6.959 4.116 -2.444 10 HB3 ALA 2 HB3 ALA 2 7.294 2.456 -1.897 11 H MET 3 H MET 3 3.704 2.460 -3.711 12 HA MET 3 HA MET 3 3.044 5.069 -4.641 13 HB2 MET 3 HB2 MET 3 2.753 2.654 -5.660 14 HB3 MET 3 HB3 MET 3 1.143 2.779 -4.911 15 HG2 MET 3 HG2 MET 3 0.676 4.804 -6.173 16 HG3 MET 3 HG3 MET 3 2.315 4.779 -6.866 17 HE1 MET 3 HE1 MET 3 2.644 1.596 -7.337 18 HE2 MET 3 HE2 MET 3 2.155 1.477 -9.045 19 HE3 MET 3 HE3 MET 3 3.180 2.828 -8.504 20 H ALA 4 H ALA 4 1.334 2.883 -2.384 21 HA ALA 4 HA ALA 4 -0.990 4.397 -2.040 22 HB1 ALA 4 HB1 ALA 4 0.537 2.824 0.064 23 HB2 ALA 4 HB2 ALA 4 -1.172 3.312 0.157 24 HB3 ALA 4 HB3 ALA 4 -0.643 2.153 -1.086 25 H THR 5 H THR 5 2.021 4.620 -0.084 26 HA THR 5 HA THR 5 1.190 6.800 1.532 27 HB THR 5 HB THR 5 3.576 7.212 1.910 28 HG1 THR 5 HG1 THR 5 5.112 6.004 0.668 29 HG21 THR 5 HG21 THR 5 2.979 4.237 1.647 30 HG22 THR 5 HG22 THR 5 4.266 4.956 2.644 31 HG23 THR 5 HG23 THR 5 2.558 5.263 3.039 32 H ARG 6 H ARG 6 2.697 6.799 -1.695 33 HA ARG 6 HA ARG 6 3.228 9.540 -1.932 34 HB2 ARG 6 HB2 ARG 6 3.492 7.459 -3.556 35 HB3 ARG 6 HB3 ARG 6 1.968 8.097 -4.218 36 HG2 ARG 6 HG2 ARG 6 3.544 9.165 -5.542 37 HG3 ARG 6 HG3 ARG 6 3.247 10.372 -4.268 38 HD2 ARG 6 HD2 ARG 6 5.462 8.338 -3.995 39 HD3 ARG 6 HD3 ARG 6 5.706 9.831 -4.931 40 HE ARG 6 HE ARG 6 4.719 10.765 -2.569 41 HH11 ARG 6 HH11 ARG 6 7.310 8.541 -3.397 42 HH12 ARG 6 HH12 ARG 6 8.278 8.955 -1.996 43 HH21 ARG 6 HH21 ARG 6 5.979 11.297 -0.756 44 HH22 ARG 6 HH22 ARG 6 7.526 10.512 -0.504 45 H GLN 7 H GLN 7 0.205 7.906 -3.003 46 HA GLN 7 HA GLN 7 -1.186 10.341 -3.526 47 HB2 GLN 7 HB2 GLN 7 -1.665 7.789 -4.078 48 HB3 GLN 7 HB3 GLN 7 -2.640 7.911 -2.595 49 HG2 GLN 7 HG2 GLN 7 -4.186 8.409 -4.274 50 HG3 GLN 7 HG3 GLN 7 -3.665 10.017 -3.718 51 HE21 GLN 7 HE22 GLN 7 -4.864 9.866 -6.135 52 HE22 GLN 7 HE21 GLN 7 -3.693 10.082 -7.421 53 H ALA 8 H ALA 8 -0.594 8.575 -0.554 54 HA ALA 8 HA ALA 8 -2.694 9.744 0.985 55 HB1 ALA 8 HB1 ALA 8 0.036 8.741 1.869 56 HB2 ALA 8 HB2 ALA 8 -1.365 9.035 2.926 57 HB3 ALA 8 HB3 ALA 8 -1.433 7.751 1.695 58 H ARG 9 H ARG 9 0.555 10.867 0.133 59 HA ARG 9 HA ARG 9 0.625 13.047 2.007 60 HB2 ARG 9 HB2 ARG 9 2.467 11.914 0.504 61 HB3 ARG 9 HB3 ARG 9 1.966 13.160 -0.663 62 HG2 ARG 9 HG2 ARG 9 3.761 14.152 0.470 63 HG3 ARG 9 HG3 ARG 9 2.322 14.833 1.265 64 HD2 ARG 9 HD2 ARG 9 3.743 14.237 3.053 65 HD3 ARG 9 HD3 ARG 9 2.572 12.900 2.956 66 HE ARG 9 HE ARG 9 4.893 12.332 1.371 67 HH11 ARG 9 HH11 ARG 9 3.736 12.503 4.684 68 HH12 ARG 9 HH12 ARG 9 4.881 11.315 5.274 69 HH21 ARG 9 HH21 ARG 9 6.374 10.793 2.143 70 HH22 ARG 9 HH22 ARG 9 6.372 10.348 3.839 71 H ARG 10 H ARG 10 -0.767 12.657 -1.216 72 HA ARG 10 HA ARG 10 -1.238 15.496 -1.607 73 HB2 ARG 10 HB2 ARG 10 -1.034 13.835 -3.434 74 HB3 ARG 10 HB3 ARG 10 -2.554 13.091 -2.884 75 HG2 ARG 10 HG2 ARG 10 -3.751 15.185 -3.341 76 HG3 ARG 10 HG3 ARG 10 -2.232 15.941 -3.876 77 HD2 ARG 10 HD2 ARG 10 -2.076 14.064 -5.606 78 HD3 ARG 10 HD3 ARG 10 -3.760 13.673 -5.184 79 HE ARG 10 HE ARG 10 -4.469 15.522 -6.366 80 HH11 ARG 10 HH11 ARG 10 -1.011 15.728 -5.785 81 HH12 ARG 10 HH12 ARG 10 -0.795 17.119 -6.829 82 HH21 ARG 10 HH21 ARG 10 -4.182 17.322 -7.720 83 HH22 ARG 10 HH22 ARG 10 -2.587 18.020 -7.923 84 H ASN 11 H ASN 11 -3.375 12.735 -0.754 85 HA ASN 11 HA ASN 11 -5.727 14.270 -0.383 86 HB2 ASN 11 HB2 ASN 11 -4.841 11.742 1.052 87 HB3 ASN 11 HB3 ASN 11 -6.502 12.378 0.985 88 HD21 ASN 11 HD22 ASN 11 -5.266 9.801 0.039 89 HD22 ASN 11 HD21 ASN 11 -5.714 9.689 -1.651 90 H ARG 12 H ARG 12 -2.908 13.878 1.664 91 HA ARG 12 HA ARG 12 -3.981 14.603 4.164 92 HB2 ARG 12 HB2 ARG 12 -1.569 13.938 3.373 93 HB3 ARG 12 HB3 ARG 12 -1.356 15.698 3.227 94 HG2 ARG 12 HG2 ARG 12 -0.587 15.273 5.383 95 HG3 ARG 12 HG3 ARG 12 -2.272 15.776 5.655 96 HD2 ARG 12 HD2 ARG 12 -2.942 13.383 5.733 97 HD3 ARG 12 HD3 ARG 12 -1.234 12.920 5.546 98 HE ARG 12 HE ARG 12 -0.869 13.419 7.774 99 HH11 ARG 12 HH11 ARG 12 -3.953 14.742 6.731 100 HH12 ARG 12 HH12 ARG 12 -4.450 15.182 8.353 101 HH21 ARG 12 HH21 ARG 12 -1.521 13.993 9.871 102 HH22 ARG 12 HH22 ARG 12 -3.077 14.759 10.127 103 H ARG 13 H ARG 13 -2.349 16.859 1.885 104 HA ARG 13 HA ARG 13 -3.224 19.205 3.247 105 HB2 ARG 13 HB2 ARG 13 -2.215 18.590 0.488 106 HB3 ARG 13 HB3 ARG 13 -2.832 20.212 0.881 107 HG2 ARG 13 HG2 ARG 13 -0.473 20.298 1.184 108 HG3 ARG 13 HG3 ARG 13 -1.196 20.247 2.809 109 HD2 ARG 13 HD2 ARG 13 -0.552 18.020 3.164 110 HD3 ARG 13 HD3 ARG 13 -0.337 17.706 1.426 111 HE ARG 13 HE ARG 13 1.832 18.455 1.589 112 HH11 ARG 13 HH11 ARG 13 -0.006 19.571 4.367 113 HH12 ARG 13 HH12 ARG 13 1.398 20.227 5.186 114 HH21 ARG 13 HH21 ARG 13 3.647 19.305 2.658 115 HH22 ARG 13 HH22 ARG 13 3.462 20.077 4.221 116 H ARG 14 H ARG 14 -4.730 17.252 0.701 117 HA ARG 14 HA ARG 14 -6.766 19.092 -0.044 118 HB2 ARG 14 HB2 ARG 14 -6.097 16.890 -1.129 119 HB3 ARG 14 HB3 ARG 14 -7.070 16.096 0.131 120 HG2 ARG 14 HG2 ARG 14 -9.054 17.356 -0.622 121 HG3 ARG 14 HG3 ARG 14 -8.075 18.114 -1.901 122 HD2 ARG 14 HD2 ARG 14 -7.863 16.117 -3.102 123 HD3 ARG 14 HD3 ARG 14 -8.238 15.111 -1.683 124 HE ARG 14 HE ARG 14 -10.549 16.547 -2.126 125 HH11 ARG 14 HH11 ARG 14 -8.503 14.434 -4.048 126 HH12 ARG 14 HH12 ARG 14 -9.826 13.852 -5.039 127 HH21 ARG 14 HH21 ARG 14 -12.259 15.789 -3.415 128 HH22 ARG 14 HH22 ARG 14 -11.948 14.617 -4.682 129 H ARG 15 H ARG 15 -6.983 16.358 2.287 130 HA ARG 15 HA ARG 15 -9.577 16.967 3.221 131 HB2 ARG 15 HB2 ARG 15 -7.941 14.960 3.650 132 HB3 ARG 15 HB3 ARG 15 -7.457 15.929 5.062 133 HG2 ARG 15 HG2 ARG 15 -9.113 14.650 6.010 134 HG3 ARG 15 HG3 ARG 15 -10.070 16.046 5.459 135 HD2 ARG 15 HD2 ARG 15 -9.670 13.643 3.675 136 HD3 ARG 15 HD3 ARG 15 -10.930 13.642 4.931 137 HE ARG 15 HE ARG 15 -10.961 15.072 2.412 138 HH11 ARG 15 HH11 ARG 15 -12.108 15.062 5.733 139 HH12 ARG 15 HH12 ARG 15 -13.530 16.021 5.373 140 HH21 ARG 15 HH21 ARG 15 -12.805 16.316 1.954 141 HH22 ARG 15 HH22 ARG 15 -13.924 16.730 3.238 142 H TRP 16 H TRP 16 -6.412 18.211 4.281 143 HA TRP 16 HA TRP 16 -7.341 19.629 6.566 144 HB2 TRP 16 HB2 TRP 16 -4.957 19.814 4.737 145 HB3 TRP 16 HB3 TRP 16 -5.273 21.153 5.867 146 HD1 TRP 16 HD1 TRP 16 -3.306 18.350 5.640 147 HE1 TRP 16 HE1 TRP 16 -2.633 17.313 8.047 148 HE3 TRP 16 HE3 TRP 16 -6.841 20.672 8.462 149 HZ2 TRP 16 HZ2 TRP 16 -3.572 17.563 10.628 150 HZ3 TRP 16 HZ3 TRP 16 -6.946 20.277 10.834 151 HH2 TRP 16 HH2 TRP 16 -5.346 18.745 11.970 152 H ARG 17 H ARG 17 -7.520 20.378 3.132 153 HA ARG 17 HA ARG 17 -8.239 23.175 3.585 154 HB2 ARG 17 HB2 ARG 17 -7.493 21.508 1.405 155 HB3 ARG 17 HB3 ARG 17 -9.099 22.186 1.048 156 HG2 ARG 17 HG2 ARG 17 -6.656 23.802 1.844 157 HG3 ARG 17 HG3 ARG 17 -7.231 23.579 0.174 158 HD2 ARG 17 HD2 ARG 17 -9.459 24.545 0.959 159 HD3 ARG 17 HD3 ARG 17 -8.620 25.011 2.458 160 HE ARG 17 HE ARG 17 -8.383 26.257 -0.164 161 HH11 ARG 17 HH11 ARG 17 -6.885 25.731 2.970 162 HH12 ARG 17 HH12 ARG 17 -5.898 27.177 2.877 163 HH21 ARG 17 HH21 ARG 17 -7.098 28.127 -0.278 164 HH22 ARG 17 HH22 ARG 17 -6.018 28.530 1.042 165 H GLU 18 H GLU 18 -10.032 20.287 2.406 166 HA GLU 18 HA GLU 18 -12.579 21.522 2.354 167 HB2 GLU 18 HB2 GLU 18 -11.563 18.721 2.589 168 HB3 GLU 18 HB3 GLU 18 -13.288 19.041 2.886 169 HG2 GLU 18 HG2 GLU 18 -11.999 20.133 0.414 170 HG3 GLU 18 HG3 GLU 18 -12.400 18.400 0.481 171 H ARG 19 H ARG 19 -10.692 20.289 5.044 172 HA ARG 19 HA ARG 19 -12.936 20.223 6.899 173 HB2 ARG 19 HB2 ARG 19 -9.958 19.973 7.054 174 HB3 ARG 19 HB3 ARG 19 -10.884 20.307 8.537 175 HG2 ARG 19 HG2 ARG 19 -12.193 18.283 8.220 176 HG3 ARG 19 HG3 ARG 19 -11.382 17.969 6.668 177 HD2 ARG 19 HD2 ARG 19 -9.238 17.691 7.819 178 HD3 ARG 19 HD3 ARG 19 -10.007 18.073 9.378 179 HE ARG 19 HE ARG 19 -10.003 15.533 8.012 180 HH11 ARG 19 HH11 ARG 19 -11.879 17.629 10.118 181 HH12 ARG 19 HH12 ARG 19 -12.759 16.304 10.854 182 HH21 ARG 19 HH21 ARG 19 -11.151 13.822 8.969 183 HH22 ARG 19 HH22 ARG 19 -12.348 14.153 10.205 184 H GLN 20 H GLN 20 -10.381 22.558 6.061 185 HA GLN 20 HA GLN 20 -10.851 24.404 8.159 186 HB2 GLN 20 HB2 GLN 20 -9.086 24.259 6.177 187 HB3 GLN 20 HB3 GLN 20 -10.236 25.382 5.412 188 HG2 GLN 20 HG2 GLN 20 -8.601 26.739 6.485 189 HG3 GLN 20 HG3 GLN 20 -10.055 26.803 7.508 190 HE21 GLN 20 HE22 GLN 20 -7.050 24.869 7.104 191 HE22 GLN 20 HE21 GLN 20 -6.732 24.702 8.820 192 H ARG 21 H ARG 21 -12.707 23.711 5.272 193 HA ARG 21 HA ARG 21 -14.152 26.089 4.952 194 HB2 ARG 21 HB2 ARG 21 -14.217 23.718 3.768 195 HB3 ARG 21 HB3 ARG 21 -15.598 23.482 4.865 196 HG2 ARG 21 HG2 ARG 21 -15.478 25.996 3.248 197 HG3 ARG 21 HG3 ARG 21 -15.901 24.482 2.416 198 HD2 ARG 21 HD2 ARG 21 -17.593 24.158 4.370 199 HD3 ARG 21 HD3 ARG 21 -17.359 25.901 4.647 200 HE ARG 21 HE ARG 21 -18.591 26.355 2.745 201 HH11 ARG 21 HH11 ARG 21 -17.693 22.959 2.819 202 HH12 ARG 21 HH12 ARG 21 -18.719 22.533 1.462 203 HH21 ARG 21 HH21 ARG 21 -19.917 25.794 0.988 204 HH22 ARG 21 HH22 ARG 21 -19.975 24.134 0.428 205 H ALA 22 H ALA 22 -14.430 23.646 7.482 206 HA ALA 22 HA ALA 22 -16.958 24.514 8.493 207 HB1 ALA 22 HB1 ALA 22 -14.642 23.171 9.932 208 HB2 ALA 22 HB2 ALA 22 -16.319 23.277 10.517 209 HB3 ALA 22 HB3 ALA 22 -15.946 22.339 9.052 210 H ALA 23 H ALA 23 -13.614 25.522 9.191 211 HA ALA 23 HA ALA 23 -14.537 27.401 11.242 212 HB1 ALA 23 HB1 ALA 23 -11.800 26.993 9.986 213 HB2 ALA 23 HB2 ALA 23 -12.159 27.993 11.413 214 HB3 ALA 23 HB3 ALA 23 -12.384 26.229 11.484 215 H ALA 24 H ALA 24 -12.879 27.701 8.063 216 HA ALA 24 HA ALA 24 -13.040 30.510 7.913 217 HB1 ALA 24 HB1 ALA 24 -13.125 28.481 5.652 218 HB2 ALA 24 HB2 ALA 24 -12.723 30.208 5.495 219 HB3 ALA 24 HB3 ALA 24 -11.654 29.125 6.419 220 H ALA 25 H ALA 25 -15.384 28.030 6.859 221 HA ALA 25 HA ALA 25 -17.335 30.250 6.429 222 HB1 ALA 25 HB1 ALA 25 -17.279 27.463 5.221 223 HB2 ALA 25 HB2 ALA 25 -18.504 28.715 4.909 224 HB3 ALA 25 HB3 ALA 25 -16.821 28.968 4.390 225 H ARG 26 H ARG 26 -19.214 30.294 7.506 226 HA ARG 26 HA ARG 26 -19.511 28.455 9.763 227 HB2 ARG 26 HB2 ARG 26 -21.429 30.571 8.783 228 HB3 ARG 26 HB3 ARG 26 -21.330 29.846 10.405 229 HG2 ARG 26 HG2 ARG 26 -19.132 30.898 10.742 230 HG3 ARG 26 HG3 ARG 26 -19.230 31.623 9.120 231 HD2 ARG 26 HD2 ARG 26 -21.367 32.112 11.203 232 HD3 ARG 26 HD3 ARG 26 -19.881 33.090 11.152 233 HE ARG 26 HE ARG 26 -20.823 33.193 8.571 234 HH11 ARG 26 HH11 ARG 26 -22.183 33.874 11.738 235 HH12 ARG 26 HH12 ARG 26 -23.264 35.117 11.140 236 HH21 ARG 26 HH21 ARG 26 -22.228 34.804 7.805 237 HH22 ARG 26 HH22 ARG 26 -23.290 35.642 8.920 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 2.623 0.566 0.900 2 H2 GLY 1 H2 GLY 1 3.188 -0.974 0.827 3 H3 GLY 1 H3 GLY 1 1.962 -0.378 -0.270 4 HA2 GLY 1 HA2 GLY 1 4.660 -0.528 -0.551 5 HA3 GLY 1 HA3 GLY 1 3.413 0.078 -1.667 6 H ALA 2 H ALA 2 6.052 1.155 -1.412 7 HA ALA 2 HA ALA 2 5.926 3.551 0.210 8 HB1 ALA 2 HB1 ALA 2 7.777 2.802 -2.081 9 HB2 ALA 2 HB2 ALA 2 8.020 4.139 -0.932 10 HB3 ALA 2 HB3 ALA 2 8.058 2.455 -0.358 11 H MET 3 H MET 3 5.117 2.727 -3.124 12 HA MET 3 HA MET 3 4.932 5.438 -4.078 13 HB2 MET 3 HB2 MET 3 3.452 2.979 -5.028 14 HB3 MET 3 HB3 MET 3 3.721 4.489 -5.931 15 HG2 MET 3 HG2 MET 3 5.948 2.676 -4.968 16 HG3 MET 3 HG3 MET 3 5.206 2.552 -6.581 17 HE1 MET 3 HE1 MET 3 8.380 3.087 -5.783 18 HE2 MET 3 HE2 MET 3 8.855 4.802 -5.781 19 HE3 MET 3 HE3 MET 3 7.899 4.142 -4.433 20 H ALA 4 H ALA 4 2.690 3.280 -2.393 21 HA ALA 4 HA ALA 4 0.362 4.891 -2.844 22 HB1 ALA 4 HB1 ALA 4 0.990 2.945 -0.596 23 HB2 ALA 4 HB2 ALA 4 -0.621 3.572 -1.020 24 HB3 ALA 4 HB3 ALA 4 0.256 2.527 -2.162 25 H THR 5 H THR 5 3.044 5.139 -0.620 26 HA THR 5 HA THR 5 1.725 6.839 1.318 27 HB THR 5 HB THR 5 4.686 6.898 0.695 28 HG1 THR 5 HG1 THR 5 4.857 5.049 2.077 29 HG21 THR 5 HG21 THR 5 3.077 7.054 3.277 30 HG22 THR 5 HG22 THR 5 4.847 7.187 3.145 31 HG23 THR 5 HG23 THR 5 3.804 8.434 2.420 32 H ARG 6 H ARG 6 3.362 7.436 -1.749 33 HA ARG 6 HA ARG 6 3.586 10.287 -1.386 34 HB2 ARG 6 HB2 ARG 6 4.777 8.739 -3.053 35 HB3 ARG 6 HB3 ARG 6 3.286 8.854 -4.017 36 HG2 ARG 6 HG2 ARG 6 3.620 11.076 -4.533 37 HG3 ARG 6 HG3 ARG 6 4.584 11.381 -3.068 38 HD2 ARG 6 HD2 ARG 6 6.474 10.165 -4.016 39 HD3 ARG 6 HD3 ARG 6 5.512 9.737 -5.451 40 HE ARG 6 HE ARG 6 5.482 12.528 -5.289 41 HH11 ARG 6 HH11 ARG 6 7.853 9.959 -5.644 42 HH12 ARG 6 HH12 ARG 6 8.964 10.948 -6.571 43 HH21 ARG 6 HH21 ARG 6 6.929 13.802 -6.489 44 HH22 ARG 6 HH22 ARG 6 8.443 13.118 -7.049 45 H GLN 7 H GLN 7 1.308 8.373 -3.413 46 HA GLN 7 HA GLN 7 -0.380 10.566 -4.043 47 HB2 GLN 7 HB2 GLN 7 -0.226 8.051 -4.880 48 HB3 GLN 7 HB3 GLN 7 -1.520 7.836 -3.678 49 HG2 GLN 7 HG2 GLN 7 -2.515 8.234 -5.853 50 HG3 GLN 7 HG3 GLN 7 -2.813 9.640 -4.803 51 HE21 GLN 7 HE22 GLN 7 -3.197 10.943 -6.656 52 HE22 GLN 7 HE21 GLN 7 -1.865 11.524 -7.636 53 H ALA 8 H ALA 8 -0.174 8.571 -1.161 54 HA ALA 8 HA ALA 8 -2.730 9.102 -0.080 55 HB1 ALA 8 HB1 ALA 8 -0.083 8.744 1.369 56 HB2 ALA 8 HB2 ALA 8 -1.702 8.580 2.089 57 HB3 ALA 8 HB3 ALA 8 -1.165 7.435 0.837 58 H ARG 9 H ARG 9 0.225 11.063 -0.095 59 HA ARG 9 HA ARG 9 -0.540 12.997 1.824 60 HB2 ARG 9 HB2 ARG 9 0.992 13.466 -0.740 61 HB3 ARG 9 HB3 ARG 9 1.027 14.462 0.735 62 HG2 ARG 9 HG2 ARG 9 1.689 11.734 1.386 63 HG3 ARG 9 HG3 ARG 9 2.717 12.291 0.044 64 HD2 ARG 9 HD2 ARG 9 2.366 14.233 2.255 65 HD3 ARG 9 HD3 ARG 9 3.246 12.748 2.688 66 HE ARG 9 HE ARG 9 4.178 13.999 0.230 67 HH11 ARG 9 HH11 ARG 9 4.432 13.897 3.732 68 HH12 ARG 9 HH12 ARG 9 6.054 14.561 3.756 69 HH21 ARG 9 HH21 ARG 9 6.278 14.862 0.269 70 HH22 ARG 9 HH22 ARG 9 7.098 15.107 1.799 71 H ARG 10 H ARG 10 -1.294 12.795 -1.660 72 HA ARG 10 HA ARG 10 -2.532 15.304 -1.963 73 HB2 ARG 10 HB2 ARG 10 -2.039 13.290 -3.607 74 HB3 ARG 10 HB3 ARG 10 -3.731 12.884 -3.233 75 HG2 ARG 10 HG2 ARG 10 -4.368 15.209 -3.919 76 HG3 ARG 10 HG3 ARG 10 -2.686 15.463 -4.442 77 HD2 ARG 10 HD2 ARG 10 -3.592 14.796 -6.445 78 HD3 ARG 10 HD3 ARG 10 -3.158 13.202 -5.783 79 HE ARG 10 HE ARG 10 -5.793 13.857 -4.952 80 HH11 ARG 10 HH11 ARG 10 -3.969 13.029 -7.839 81 HH12 ARG 10 HH12 ARG 10 -5.342 12.293 -8.642 82 HH21 ARG 10 HH21 ARG 10 -7.567 12.902 -5.999 83 HH22 ARG 10 HH22 ARG 10 -7.374 12.221 -7.603 84 H ASN 11 H ASN 11 -4.210 12.193 -1.283 85 HA ASN 11 HA ASN 11 -6.732 13.399 -0.743 86 HB2 ASN 11 HB2 ASN 11 -5.516 10.789 0.220 87 HB3 ASN 11 HB3 ASN 11 -7.224 11.245 0.424 88 HD21 ASN 11 HD22 ASN 11 -4.712 10.275 -1.839 89 HD22 ASN 11 HD21 ASN 11 -5.782 9.918 -3.181 90 H ARG 12 H ARG 12 -3.988 12.631 1.396 91 HA ARG 12 HA ARG 12 -5.219 13.132 3.875 92 HB2 ARG 12 HB2 ARG 12 -2.424 13.544 2.838 93 HB3 ARG 12 HB3 ARG 12 -2.871 13.959 4.509 94 HG2 ARG 12 HG2 ARG 12 -3.312 11.724 5.076 95 HG3 ARG 12 HG3 ARG 12 -3.436 11.223 3.372 96 HD2 ARG 12 HD2 ARG 12 -1.270 10.654 3.381 97 HD3 ARG 12 HD3 ARG 12 -0.834 12.335 3.768 98 HE ARG 12 HE ARG 12 -0.909 10.062 5.589 99 HH11 ARG 12 HH11 ARG 12 -1.030 13.560 5.273 100 HH12 ARG 12 HH12 ARG 12 -0.476 13.848 6.910 101 HH21 ARG 12 HH21 ARG 12 -0.190 10.445 7.709 102 HH22 ARG 12 HH22 ARG 12 -0.002 12.089 8.286 103 H ARG 13 H ARG 13 -3.297 15.502 1.964 104 HA ARG 13 HA ARG 13 -4.043 17.736 3.573 105 HB2 ARG 13 HB2 ARG 13 -2.395 17.219 1.377 106 HB3 ARG 13 HB3 ARG 13 -3.595 18.392 0.786 107 HG2 ARG 13 HG2 ARG 13 -2.095 19.888 1.609 108 HG3 ARG 13 HG3 ARG 13 -2.969 19.560 3.124 109 HD2 ARG 13 HD2 ARG 13 -1.270 18.203 3.966 110 HD3 ARG 13 HD3 ARG 13 -0.614 17.850 2.351 111 HE ARG 13 HE ARG 13 -0.377 20.646 3.055 112 HH11 ARG 13 HH11 ARG 13 1.040 17.456 3.455 113 HH12 ARG 13 HH12 ARG 13 2.650 18.076 3.767 114 HH21 ARG 13 HH21 ARG 13 1.712 21.442 3.459 115 HH22 ARG 13 HH22 ARG 13 3.029 20.328 3.769 116 H ARG 14 H ARG 14 -5.688 16.089 0.948 117 HA ARG 14 HA ARG 14 -7.460 18.101 0.100 118 HB2 ARG 14 HB2 ARG 14 -7.105 15.593 -0.606 119 HB3 ARG 14 HB3 ARG 14 -8.425 15.306 0.553 120 HG2 ARG 14 HG2 ARG 14 -9.979 16.471 -0.719 121 HG3 ARG 14 HG3 ARG 14 -8.731 17.417 -1.563 122 HD2 ARG 14 HD2 ARG 14 -7.993 15.149 -2.575 123 HD3 ARG 14 HD3 ARG 14 -9.578 14.552 -2.028 124 HE ARG 14 HE ARG 14 -10.565 15.670 -3.776 125 HH11 ARG 14 HH11 ARG 14 -7.365 16.999 -3.199 126 HH12 ARG 14 HH12 ARG 14 -7.410 18.040 -4.608 127 HH21 ARG 14 HH21 ARG 14 -10.616 17.022 -5.600 128 HH22 ARG 14 HH22 ARG 14 -9.246 18.053 -5.964 129 H ARG 15 H ARG 15 -7.943 15.747 2.772 130 HA ARG 15 HA ARG 15 -10.456 16.733 3.614 131 HB2 ARG 15 HB2 ARG 15 -8.208 15.229 4.878 132 HB3 ARG 15 HB3 ARG 15 -9.477 15.906 5.927 133 HG2 ARG 15 HG2 ARG 15 -9.965 13.575 5.345 134 HG3 ARG 15 HG3 ARG 15 -11.186 14.680 4.671 135 HD2 ARG 15 HD2 ARG 15 -8.826 13.975 2.967 136 HD3 ARG 15 HD3 ARG 15 -10.082 12.738 3.206 137 HE ARG 15 HE ARG 15 -11.238 15.264 2.472 138 HH11 ARG 15 HH11 ARG 15 -9.506 12.483 1.206 139 HH12 ARG 15 HH12 ARG 15 -10.165 12.654 -0.409 140 HH21 ARG 15 HH21 ARG 15 -12.088 15.481 0.377 141 HH22 ARG 15 HH22 ARG 15 -11.625 14.348 -0.878 142 H TRP 16 H TRP 16 -7.163 17.777 4.513 143 HA TRP 16 HA TRP 16 -7.855 19.578 6.569 144 HB2 TRP 16 HB2 TRP 16 -5.511 18.841 5.683 145 HB3 TRP 16 HB3 TRP 16 -5.688 20.197 4.544 146 HD1 TRP 16 HD1 TRP 16 -6.794 20.224 8.127 147 HE1 TRP 16 HE1 TRP 16 -5.409 22.136 9.448 148 HE3 TRP 16 HE3 TRP 16 -3.615 21.557 4.387 149 HZ2 TRP 16 HZ2 TRP 16 -3.324 23.835 8.833 150 HZ3 TRP 16 HZ3 TRP 16 -1.973 23.280 4.753 151 HH2 TRP 16 HH2 TRP 16 -1.778 24.447 6.942 152 H ARG 17 H ARG 17 -8.000 19.989 3.046 153 HA ARG 17 HA ARG 17 -8.540 22.818 3.128 154 HB2 ARG 17 HB2 ARG 17 -7.788 21.279 1.180 155 HB3 ARG 17 HB3 ARG 17 -9.526 20.946 0.997 156 HG2 ARG 17 HG2 ARG 17 -8.635 23.798 1.151 157 HG3 ARG 17 HG3 ARG 17 -8.314 22.900 -0.351 158 HD2 ARG 17 HD2 ARG 17 -10.782 22.233 -0.309 159 HD3 ARG 17 HD3 ARG 17 -10.987 23.459 0.964 160 HE ARG 17 HE ARG 17 -10.849 25.116 -0.633 161 HH11 ARG 17 HH11 ARG 17 -9.667 22.084 -1.956 162 HH12 ARG 17 HH12 ARG 17 -9.540 22.705 -3.590 163 HH21 ARG 17 HH21 ARG 17 -10.685 25.913 -2.753 164 HH22 ARG 17 HH22 ARG 17 -10.115 24.869 -4.041 165 H GLU 18 H GLU 18 -10.735 20.017 2.589 166 HA GLU 18 HA GLU 18 -13.129 21.544 2.638 167 HB2 GLU 18 HB2 GLU 18 -12.418 18.674 3.137 168 HB3 GLU 18 HB3 GLU 18 -14.065 19.256 3.479 169 HG2 GLU 18 HG2 GLU 18 -14.136 20.130 1.117 170 HG3 GLU 18 HG3 GLU 18 -12.603 19.273 0.830 171 H ARG 19 H ARG 19 -11.102 20.325 5.243 172 HA ARG 19 HA ARG 19 -13.097 20.723 7.317 173 HB2 ARG 19 HB2 ARG 19 -11.007 19.218 7.315 174 HB3 ARG 19 HB3 ARG 19 -10.111 20.709 7.692 175 HG2 ARG 19 HG2 ARG 19 -11.219 20.982 9.763 176 HG3 ARG 19 HG3 ARG 19 -12.482 19.805 9.333 177 HD2 ARG 19 HD2 ARG 19 -10.542 18.089 9.211 178 HD3 ARG 19 HD3 ARG 19 -9.605 19.303 10.114 179 HE ARG 19 HE ARG 19 -11.679 17.572 11.142 180 HH11 ARG 19 HH11 ARG 19 -10.126 20.704 11.497 181 HH12 ARG 19 HH12 ARG 19 -10.533 20.849 13.195 182 HH21 ARG 19 HH21 ARG 19 -12.205 17.770 13.343 183 HH22 ARG 19 HH22 ARG 19 -11.707 19.192 14.238 184 H GLN 20 H GLN 20 -10.672 22.731 5.743 185 HA GLN 20 HA GLN 20 -10.500 24.793 7.693 186 HB2 GLN 20 HB2 GLN 20 -9.268 24.317 5.388 187 HB3 GLN 20 HB3 GLN 20 -10.499 25.452 4.787 188 HG2 GLN 20 HG2 GLN 20 -9.661 27.231 6.036 189 HG3 GLN 20 HG3 GLN 20 -8.857 26.160 7.208 190 HE21 GLN 20 HE22 GLN 20 -7.251 24.562 5.875 191 HE22 GLN 20 HE21 GLN 20 -6.097 25.445 4.895 192 H ARG 21 H ARG 21 -13.025 23.986 5.406 193 HA ARG 21 HA ARG 21 -14.365 26.434 5.166 194 HB2 ARG 21 HB2 ARG 21 -14.855 24.022 4.252 195 HB3 ARG 21 HB3 ARG 21 -15.891 23.914 5.695 196 HG2 ARG 21 HG2 ARG 21 -16.833 26.207 4.832 197 HG3 ARG 21 HG3 ARG 21 -16.153 25.679 3.275 198 HD2 ARG 21 HD2 ARG 21 -17.426 23.446 3.778 199 HD3 ARG 21 HD3 ARG 21 -18.369 24.448 4.906 200 HE ARG 21 HE ARG 21 -18.269 25.758 2.394 201 HH11 ARG 21 HH11 ARG 21 -19.622 22.894 3.912 202 HH12 ARG 21 HH12 ARG 21 -21.006 22.830 2.839 203 HH21 ARG 21 HH21 ARG 21 -20.065 25.670 1.006 204 HH22 ARG 21 HH22 ARG 21 -21.257 24.399 1.197 205 H ALA 22 H ALA 22 -14.183 24.267 7.943 206 HA ALA 22 HA ALA 22 -16.340 25.431 9.408 207 HB1 ALA 22 HB1 ALA 22 -13.830 24.046 10.416 208 HB2 ALA 22 HB2 ALA 22 -15.312 24.342 11.355 209 HB3 ALA 22 HB3 ALA 22 -15.350 23.243 9.956 210 H ALA 23 H ALA 23 -12.869 26.213 9.226 211 HA ALA 23 HA ALA 23 -13.172 28.349 11.205 212 HB1 ALA 23 HB1 ALA 23 -10.839 27.603 9.406 213 HB2 ALA 23 HB2 ALA 23 -10.791 28.758 10.759 214 HB3 ALA 23 HB3 ALA 23 -11.094 27.032 11.072 215 H ALA 24 H ALA 24 -12.303 28.214 7.717 216 HA ALA 24 HA ALA 24 -12.347 31.006 7.309 217 HB1 ALA 24 HB1 ALA 24 -13.035 28.786 5.351 218 HB2 ALA 24 HB2 ALA 24 -12.595 30.457 4.927 219 HB3 ALA 24 HB3 ALA 24 -11.400 29.393 5.706 220 H ALA 25 H ALA 25 -14.984 28.607 7.031 221 HA ALA 25 HA ALA 25 -16.873 30.878 6.661 222 HB1 ALA 25 HB1 ALA 25 -17.256 27.894 6.228 223 HB2 ALA 25 HB2 ALA 25 -18.459 29.164 5.898 224 HB3 ALA 25 HB3 ALA 25 -16.951 29.101 4.956 225 H ARG 26 H ARG 26 -18.015 31.584 8.309 226 HA ARG 26 HA ARG 26 -18.142 29.955 10.773 227 HB2 ARG 26 HB2 ARG 26 -18.887 32.786 10.047 228 HB3 ARG 26 HB3 ARG 26 -19.320 32.048 11.607 229 HG2 ARG 26 HG2 ARG 26 -17.027 31.786 12.219 230 HG3 ARG 26 HG3 ARG 26 -16.476 32.194 10.577 231 HD2 ARG 26 HD2 ARG 26 -17.669 34.469 10.989 232 HD3 ARG 26 HD3 ARG 26 -17.616 34.008 12.707 233 HE ARG 26 HE ARG 26 -15.024 33.656 11.763 234 HH11 ARG 26 HH11 ARG 26 -17.343 36.285 11.989 235 HH12 ARG 26 HH12 ARG 26 -16.110 37.521 12.151 236 HH21 ARG 26 HH21 ARG 26 -13.432 35.263 11.975 237 HH22 ARG 26 HH22 ARG 26 -13.901 36.944 12.143 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 2.887 -1.277 -1.516 2 H2 GLY 1 H2 GLY 1 1.833 -2.072 -2.492 3 H3 GLY 1 H3 GLY 1 1.627 -2.006 -0.756 4 HA2 GLY 1 HA2 GLY 1 0.581 -0.446 -2.717 5 HA3 GLY 1 HA3 GLY 1 0.372 -0.378 -0.951 6 H ALA 2 H ALA 2 3.033 0.278 -3.293 7 HA ALA 2 HA ALA 2 3.937 2.530 -1.681 8 HB1 ALA 2 HB1 ALA 2 4.788 1.583 -4.441 9 HB2 ALA 2 HB2 ALA 2 5.636 2.784 -3.437 10 HB3 ALA 2 HB3 ALA 2 5.525 1.092 -2.897 11 H MET 3 H MET 3 1.838 2.059 -4.439 12 HA MET 3 HA MET 3 1.941 4.755 -5.438 13 HB2 MET 3 HB2 MET 3 -0.398 2.850 -5.560 14 HB3 MET 3 HB3 MET 3 -0.006 4.185 -6.670 15 HG2 MET 3 HG2 MET 3 1.966 2.988 -7.454 16 HG3 MET 3 HG3 MET 3 1.650 1.672 -6.298 17 HE1 MET 3 HE1 MET 3 1.696 2.321 -9.826 18 HE2 MET 3 HE2 MET 3 0.068 2.068 -10.499 19 HE3 MET 3 HE3 MET 3 0.418 3.528 -9.544 20 H ALA 4 H ALA 4 0.012 3.159 -2.918 21 HA ALA 4 HA ALA 4 -1.800 5.344 -2.545 22 HB1 ALA 4 HB1 ALA 4 -0.910 3.189 -0.595 23 HB2 ALA 4 HB2 ALA 4 -2.339 4.235 -0.420 24 HB3 ALA 4 HB3 ALA 4 -2.256 3.057 -1.751 25 H THR 5 H THR 5 1.359 4.545 -1.118 26 HA THR 5 HA THR 5 1.404 6.455 0.964 27 HB THR 5 HB THR 5 3.759 5.745 -0.824 28 HG1 THR 5 HG1 THR 5 4.052 3.996 0.661 29 HG21 THR 5 HG21 THR 5 3.552 6.496 2.120 30 HG22 THR 5 HG22 THR 5 5.051 6.085 1.255 31 HG23 THR 5 HG23 THR 5 4.145 7.553 0.817 32 H ARG 6 H ARG 6 2.316 6.894 -2.467 33 HA ARG 6 HA ARG 6 3.140 9.594 -2.234 34 HB2 ARG 6 HB2 ARG 6 3.129 7.825 -4.216 35 HB3 ARG 6 HB3 ARG 6 1.633 8.689 -4.641 36 HG2 ARG 6 HG2 ARG 6 2.738 10.652 -5.135 37 HG3 ARG 6 HG3 ARG 6 4.097 10.284 -4.046 38 HD2 ARG 6 HD2 ARG 6 5.132 9.925 -6.069 39 HD3 ARG 6 HD3 ARG 6 4.473 8.297 -5.784 40 HE ARG 6 HE ARG 6 3.127 8.563 -7.625 41 HH11 ARG 6 HH11 ARG 6 4.182 11.717 -6.492 42 HH12 ARG 6 HH12 ARG 6 3.466 12.576 -7.842 43 HH21 ARG 6 HH21 ARG 6 2.201 9.684 -9.370 44 HH22 ARG 6 HH22 ARG 6 2.347 11.428 -9.468 45 H GLN 7 H GLN 7 -0.059 8.400 -3.378 46 HA GLN 7 HA GLN 7 -1.312 10.929 -3.428 47 HB2 GLN 7 HB2 GLN 7 -2.076 8.571 -4.235 48 HB3 GLN 7 HB3 GLN 7 -2.767 8.440 -2.600 49 HG2 GLN 7 HG2 GLN 7 -4.578 9.282 -3.764 50 HG3 GLN 7 HG3 GLN 7 -3.816 10.785 -3.191 51 HE21 GLN 7 HE22 GLN 7 -4.585 12.108 -4.813 52 HE22 GLN 7 HE21 GLN 7 -4.076 11.959 -6.484 53 H ALA 8 H ALA 8 -0.564 8.834 -0.716 54 HA ALA 8 HA ALA 8 -2.381 9.855 1.174 55 HB1 ALA 8 HB1 ALA 8 0.489 8.952 1.605 56 HB2 ALA 8 HB2 ALA 8 -0.764 9.096 2.861 57 HB3 ALA 8 HB3 ALA 8 -0.941 7.894 1.561 58 H ARG 9 H ARG 9 0.577 11.262 -0.119 59 HA ARG 9 HA ARG 9 0.890 13.284 1.904 60 HB2 ARG 9 HB2 ARG 9 1.704 13.335 -1.008 61 HB3 ARG 9 HB3 ARG 9 2.332 14.371 0.295 62 HG2 ARG 9 HG2 ARG 9 2.593 11.353 0.286 63 HG3 ARG 9 HG3 ARG 9 3.824 12.440 -0.401 64 HD2 ARG 9 HD2 ARG 9 4.671 12.213 1.727 65 HD3 ARG 9 HD3 ARG 9 3.595 13.607 1.987 66 HE ARG 9 HE ARG 9 2.236 12.295 3.321 67 HH11 ARG 9 HH11 ARG 9 4.485 10.277 1.532 68 HH12 ARG 9 HH12 ARG 9 4.083 8.824 2.426 69 HH21 ARG 9 HH21 ARG 9 1.720 10.410 4.477 70 HH22 ARG 9 HH22 ARG 9 2.520 8.899 4.091 71 H ARG 10 H ARG 10 -0.695 13.311 -1.313 72 HA ARG 10 HA ARG 10 -1.552 16.046 -1.122 73 HB2 ARG 10 HB2 ARG 10 -2.589 13.688 -2.706 74 HB3 ARG 10 HB3 ARG 10 -3.164 15.361 -2.901 75 HG2 ARG 10 HG2 ARG 10 -0.813 16.030 -3.452 76 HG3 ARG 10 HG3 ARG 10 -0.366 14.308 -3.421 77 HD2 ARG 10 HD2 ARG 10 -0.772 15.002 -5.721 78 HD3 ARG 10 HD3 ARG 10 -2.047 13.873 -5.203 79 HE ARG 10 HE ARG 10 -2.947 16.502 -4.699 80 HH11 ARG 10 HH11 ARG 10 -2.125 14.411 -7.400 81 HH12 ARG 10 HH12 ARG 10 -3.245 15.189 -8.502 82 HH21 ARG 10 HH21 ARG 10 -4.397 17.506 -6.132 83 HH22 ARG 10 HH22 ARG 10 -4.529 16.938 -7.785 84 H ASN 11 H ASN 11 -2.905 13.006 0.046 85 HA ASN 11 HA ASN 11 -5.514 14.158 0.651 86 HB2 ASN 11 HB2 ASN 11 -4.184 11.620 1.663 87 HB3 ASN 11 HB3 ASN 11 -5.908 12.038 1.803 88 HD21 ASN 11 HD22 ASN 11 -4.474 9.758 0.467 89 HD22 ASN 11 HD21 ASN 11 -5.057 9.772 -1.186 90 H ARG 12 H ARG 12 -2.435 13.820 2.319 91 HA ARG 12 HA ARG 12 -3.550 14.450 4.941 92 HB2 ARG 12 HB2 ARG 12 -0.824 14.111 3.748 93 HB3 ARG 12 HB3 ARG 12 -1.001 14.927 5.319 94 HG2 ARG 12 HG2 ARG 12 -1.671 13.013 6.400 95 HG3 ARG 12 HG3 ARG 12 -2.377 12.301 4.929 96 HD2 ARG 12 HD2 ARG 12 0.170 12.290 4.148 97 HD3 ARG 12 HD3 ARG 12 0.459 12.276 5.904 98 HE ARG 12 HE ARG 12 -0.520 10.098 4.272 99 HH11 ARG 12 HH11 ARG 12 -0.573 11.534 7.477 100 HH12 ARG 12 HH12 ARG 12 -0.922 10.018 8.285 101 HH21 ARG 12 HH21 ARG 12 -0.969 8.135 5.325 102 HH22 ARG 12 HH22 ARG 12 -1.146 8.097 7.068 103 H ARG 13 H ARG 13 -1.842 16.251 2.375 104 HA ARG 13 HA ARG 13 -1.773 18.718 3.898 105 HB2 ARG 13 HB2 ARG 13 -1.556 18.244 0.919 106 HB3 ARG 13 HB3 ARG 13 -1.102 19.726 1.795 107 HG2 ARG 13 HG2 ARG 13 0.166 17.031 2.336 108 HG3 ARG 13 HG3 ARG 13 0.805 18.174 1.131 109 HD2 ARG 13 HD2 ARG 13 0.419 18.742 4.094 110 HD3 ARG 13 HD3 ARG 13 1.972 18.390 3.298 111 HE ARG 13 HE ARG 13 0.518 20.906 3.294 112 HH11 ARG 13 HH11 ARG 13 2.842 18.892 1.593 113 HH12 ARG 13 HH12 ARG 13 3.603 20.246 0.781 114 HH21 ARG 13 HH21 ARG 13 1.510 22.654 2.239 115 HH22 ARG 13 HH22 ARG 13 2.851 22.372 1.146 116 H ARG 14 H ARG 14 -4.076 17.194 1.710 117 HA ARG 14 HA ARG 14 -5.652 19.618 1.340 118 HB2 ARG 14 HB2 ARG 14 -5.989 16.696 0.733 119 HB3 ARG 14 HB3 ARG 14 -7.363 17.819 0.598 120 HG2 ARG 14 HG2 ARG 14 -6.278 19.089 -1.100 121 HG3 ARG 14 HG3 ARG 14 -4.723 18.275 -0.810 122 HD2 ARG 14 HD2 ARG 14 -5.569 17.280 -2.784 123 HD3 ARG 14 HD3 ARG 14 -5.918 16.108 -1.491 124 HE ARG 14 HE ARG 14 -8.184 16.453 -1.802 125 HH11 ARG 14 HH11 ARG 14 -6.336 18.923 -3.483 126 HH12 ARG 14 HH12 ARG 14 -7.729 19.557 -4.337 127 HH21 ARG 14 HH21 ARG 14 -9.984 17.277 -2.917 128 HH22 ARG 14 HH22 ARG 14 -9.790 18.628 -4.017 129 H ARG 15 H ARG 15 -5.571 16.963 3.649 130 HA ARG 15 HA ARG 15 -8.161 17.180 4.739 131 HB2 ARG 15 HB2 ARG 15 -6.074 15.631 5.248 132 HB3 ARG 15 HB3 ARG 15 -5.805 16.828 6.537 133 HG2 ARG 15 HG2 ARG 15 -8.523 15.596 6.202 134 HG3 ARG 15 HG3 ARG 15 -7.233 14.659 6.992 135 HD2 ARG 15 HD2 ARG 15 -6.878 16.746 8.467 136 HD3 ARG 15 HD3 ARG 15 -8.456 17.293 7.850 137 HE ARG 15 HE ARG 15 -9.510 15.708 9.167 138 HH11 ARG 15 HH11 ARG 15 -6.057 15.076 9.033 139 HH12 ARG 15 HH12 ARG 15 -6.108 13.857 10.292 140 HH21 ARG 15 HH21 ARG 15 -9.568 14.129 10.798 141 HH22 ARG 15 HH22 ARG 15 -8.092 13.322 11.289 142 H TRP 16 H TRP 16 -5.253 19.135 5.392 143 HA TRP 16 HA TRP 16 -6.428 20.647 7.538 144 HB2 TRP 16 HB2 TRP 16 -3.985 20.532 7.178 145 HB3 TRP 16 HB3 TRP 16 -4.166 21.378 5.622 146 HD1 TRP 16 HD1 TRP 16 -3.433 23.637 5.826 147 HE1 TRP 16 HE1 TRP 16 -3.548 25.634 7.646 148 HE3 TRP 16 HE3 TRP 16 -5.894 21.142 9.512 149 HZ2 TRP 16 HZ2 TRP 16 -4.564 25.917 10.195 150 HZ3 TRP 16 HZ3 TRP 16 -6.414 22.251 11.584 151 HH2 TRP 16 HH2 TRP 16 -5.786 24.627 11.981 152 H ARG 17 H ARG 17 -6.656 20.864 4.050 153 HA ARG 17 HA ARG 17 -7.705 23.593 4.081 154 HB2 ARG 17 HB2 ARG 17 -6.447 22.411 2.196 155 HB3 ARG 17 HB3 ARG 17 -7.971 21.546 1.886 156 HG2 ARG 17 HG2 ARG 17 -7.908 24.554 2.018 157 HG3 ARG 17 HG3 ARG 17 -7.423 23.706 0.530 158 HD2 ARG 17 HD2 ARG 17 -9.675 22.431 0.797 159 HD3 ARG 17 HD3 ARG 17 -10.115 23.755 1.902 160 HE ARG 17 HE ARG 17 -9.985 23.854 -0.985 161 HH11 ARG 17 HH11 ARG 17 -9.623 25.726 1.965 162 HH12 ARG 17 HH12 ARG 17 -10.012 27.250 1.191 163 HH21 ARG 17 HH21 ARG 17 -10.484 25.831 -1.982 164 HH22 ARG 17 HH22 ARG 17 -10.499 27.309 -1.040 165 H GLU 18 H GLU 18 -9.158 20.409 3.237 166 HA GLU 18 HA GLU 18 -11.826 21.331 3.113 167 HB2 GLU 18 HB2 GLU 18 -12.451 18.997 3.496 168 HB3 GLU 18 HB3 GLU 18 -11.163 19.169 2.280 169 HG2 GLU 18 HG2 GLU 18 -10.229 17.473 3.442 170 HG3 GLU 18 HG3 GLU 18 -9.651 18.808 4.467 171 H ARG 19 H ARG 19 -9.864 20.371 5.903 172 HA ARG 19 HA ARG 19 -11.973 20.206 7.807 173 HB2 ARG 19 HB2 ARG 19 -9.709 19.404 8.218 174 HB3 ARG 19 HB3 ARG 19 -9.092 21.071 8.131 175 HG2 ARG 19 HG2 ARG 19 -9.251 20.479 10.448 176 HG3 ARG 19 HG3 ARG 19 -10.557 21.633 10.090 177 HD2 ARG 19 HD2 ARG 19 -12.131 19.719 9.841 178 HD3 ARG 19 HD3 ARG 19 -10.818 18.612 10.306 179 HE ARG 19 HE ARG 19 -10.966 20.480 12.357 180 HH11 ARG 19 HH11 ARG 19 -13.131 18.172 10.831 181 HH12 ARG 19 HH12 ARG 19 -14.062 17.896 12.290 182 HH21 ARG 19 HH21 ARG 19 -12.177 20.117 14.244 183 HH22 ARG 19 HH22 ARG 19 -13.524 18.995 14.218 184 H GLN 20 H GLN 20 -10.188 22.982 6.512 185 HA GLN 20 HA GLN 20 -11.371 24.844 8.425 186 HB2 GLN 20 HB2 GLN 20 -9.146 24.927 6.979 187 HB3 GLN 20 HB3 GLN 20 -10.236 25.707 5.808 188 HG2 GLN 20 HG2 GLN 20 -10.863 27.368 7.543 189 HG3 GLN 20 HG3 GLN 20 -9.698 26.612 8.657 190 HE21 GLN 20 HE22 GLN 20 -7.417 26.333 7.591 191 HE22 GLN 20 HE21 GLN 20 -6.804 27.770 6.798 192 H ARG 21 H ARG 21 -12.224 23.542 5.287 193 HA ARG 21 HA ARG 21 -13.951 25.521 4.314 194 HB2 ARG 21 HB2 ARG 21 -13.248 23.117 3.459 195 HB3 ARG 21 HB3 ARG 21 -14.791 22.658 4.217 196 HG2 ARG 21 HG2 ARG 21 -15.775 24.634 2.840 197 HG3 ARG 21 HG3 ARG 21 -14.284 24.492 1.878 198 HD2 ARG 21 HD2 ARG 21 -14.884 21.968 1.733 199 HD3 ARG 21 HD3 ARG 21 -16.509 22.480 2.247 200 HE ARG 21 HE ARG 21 -15.326 22.796 -0.364 201 HH11 ARG 21 HH11 ARG 21 -17.551 24.229 1.946 202 HH12 ARG 21 HH12 ARG 21 -18.495 25.045 0.715 203 HH21 ARG 21 HH21 ARG 21 -16.553 23.859 -1.954 204 HH22 ARG 21 HH22 ARG 21 -17.932 24.836 -1.489 205 H ALA 22 H ALA 22 -14.428 23.282 6.995 206 HA ALA 22 HA ALA 22 -17.251 23.655 7.230 207 HB1 ALA 22 HB1 ALA 22 -15.196 22.968 9.359 208 HB2 ALA 22 HB2 ALA 22 -16.957 22.751 9.495 209 HB3 ALA 22 HB3 ALA 22 -16.033 21.804 8.305 210 H ALA 23 H ALA 23 -14.472 25.416 8.596 211 HA ALA 23 HA ALA 23 -16.253 27.206 10.083 212 HB1 ALA 23 HB1 ALA 23 -13.252 27.301 9.614 213 HB2 ALA 23 HB2 ALA 23 -14.166 28.310 10.761 214 HB3 ALA 23 HB3 ALA 23 -14.067 26.550 11.007 215 H ALA 24 H ALA 24 -13.888 27.599 7.401 216 HA ALA 24 HA ALA 24 -14.549 30.291 6.847 217 HB1 ALA 24 HB1 ALA 24 -13.563 28.137 4.943 218 HB2 ALA 24 HB2 ALA 24 -13.491 29.893 4.666 219 HB3 ALA 24 HB3 ALA 24 -12.540 29.160 5.980 220 H ALA 25 H ALA 25 -15.998 27.262 5.664 221 HA ALA 25 HA ALA 25 -18.106 28.929 4.360 222 HB1 ALA 25 HB1 ALA 25 -17.200 26.103 3.704 223 HB2 ALA 25 HB2 ALA 25 -18.491 27.007 2.878 224 HB3 ALA 25 HB3 ALA 25 -16.805 27.566 2.772 225 H ARG 26 H ARG 26 -19.993 28.972 5.334 226 HA ARG 26 HA ARG 26 -20.647 26.830 7.285 227 HB2 ARG 26 HB2 ARG 26 -21.791 29.555 6.674 228 HB3 ARG 26 HB3 ARG 26 -22.573 28.396 7.774 229 HG2 ARG 26 HG2 ARG 26 -21.379 29.606 9.307 230 HG3 ARG 26 HG3 ARG 26 -20.160 28.379 8.888 231 HD2 ARG 26 HD2 ARG 26 -19.317 30.015 7.123 232 HD3 ARG 26 HD3 ARG 26 -20.362 31.236 7.888 233 HE ARG 26 HE ARG 26 -17.807 30.304 8.826 234 HH11 ARG 26 HH11 ARG 26 -20.963 31.434 9.874 235 HH12 ARG 26 HH12 ARG 26 -20.369 32.057 11.401 236 HH21 ARG 26 HH21 ARG 26 -17.043 31.112 10.809 237 HH22 ARG 26 HH22 ARG 26 -18.154 31.875 11.930 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 0.816 -0.698 -3.054 2 H2 GLY 1 H2 GLY 1 -0.820 -0.658 -2.930 3 H3 GLY 1 H3 GLY 1 0.161 -1.739 -1.966 4 HA2 GLY 1 HA2 GLY 1 -0.822 0.730 -1.401 5 HA3 GLY 1 HA3 GLY 1 0.177 -0.370 -0.420 6 H ALA 2 H ALA 2 2.305 -0.336 -2.571 7 HA ALA 2 HA ALA 2 3.945 1.677 -1.474 8 HB1 ALA 2 HB1 ALA 2 4.129 0.357 -4.205 9 HB2 ALA 2 HB2 ALA 2 5.440 1.223 -3.370 10 HB3 ALA 2 HB3 ALA 2 4.798 -0.290 -2.688 11 H MET 3 H MET 3 1.727 1.779 -4.232 12 HA MET 3 HA MET 3 2.642 4.425 -5.081 13 HB2 MET 3 HB2 MET 3 0.462 2.516 -5.839 14 HB3 MET 3 HB3 MET 3 0.351 4.220 -6.338 15 HG2 MET 3 HG2 MET 3 1.381 3.218 -8.165 16 HG3 MET 3 HG3 MET 3 2.751 3.879 -7.241 17 HE1 MET 3 HE1 MET 3 1.641 1.016 -9.254 18 HE2 MET 3 HE2 MET 3 1.940 -0.465 -8.313 19 HE3 MET 3 HE3 MET 3 0.593 0.612 -7.873 20 H ALA 4 H ALA 4 -0.144 3.113 -3.264 21 HA ALA 4 HA ALA 4 -1.603 5.478 -2.986 22 HB1 ALA 4 HB1 ALA 4 -1.199 3.287 -0.919 23 HB2 ALA 4 HB2 ALA 4 -2.525 4.475 -0.942 24 HB3 ALA 4 HB3 ALA 4 -2.390 3.266 -2.242 25 H THR 5 H THR 5 1.377 4.518 -1.378 26 HA THR 5 HA THR 5 1.304 6.434 0.754 27 HB THR 5 HB THR 5 3.854 5.594 -0.632 28 HG1 THR 5 HG1 THR 5 3.720 3.636 0.597 29 HG21 THR 5 HG21 THR 5 3.057 5.946 2.286 30 HG22 THR 5 HG22 THR 5 4.683 5.529 1.695 31 HG23 THR 5 HG23 THR 5 3.977 7.117 1.311 32 H ARG 6 H ARG 6 2.107 6.738 -2.655 33 HA ARG 6 HA ARG 6 3.435 9.288 -2.403 34 HB2 ARG 6 HB2 ARG 6 3.306 7.507 -4.351 35 HB3 ARG 6 HB3 ARG 6 1.910 8.493 -4.846 36 HG2 ARG 6 HG2 ARG 6 3.589 10.491 -4.560 37 HG3 ARG 6 HG3 ARG 6 4.826 9.222 -4.726 38 HD2 ARG 6 HD2 ARG 6 4.147 8.675 -6.910 39 HD3 ARG 6 HD3 ARG 6 2.561 9.456 -6.711 40 HE ARG 6 HE ARG 6 3.491 11.447 -7.388 41 HH11 ARG 6 HH11 ARG 6 6.039 9.244 -6.388 42 HH12 ARG 6 HH12 ARG 6 7.331 10.305 -6.915 43 HH21 ARG 6 HH21 ARG 6 5.171 12.815 -8.070 44 HH22 ARG 6 HH22 ARG 6 6.840 12.323 -7.865 45 H GLN 7 H GLN 7 0.157 8.488 -3.659 46 HA GLN 7 HA GLN 7 -0.743 11.177 -3.755 47 HB2 GLN 7 HB2 GLN 7 -1.791 9.139 -4.799 48 HB3 GLN 7 HB3 GLN 7 -2.420 8.731 -3.185 49 HG2 GLN 7 HG2 GLN 7 -4.149 9.857 -4.477 50 HG3 GLN 7 HG3 GLN 7 -3.623 10.896 -3.132 51 HE21 GLN 7 HE22 GLN 7 -2.914 10.243 -6.591 52 HE22 GLN 7 HE21 GLN 7 -2.646 11.920 -7.025 53 H ALA 8 H ALA 8 -0.450 8.949 -1.062 54 HA ALA 8 HA ALA 8 -2.248 10.095 0.751 55 HB1 ALA 8 HB1 ALA 8 0.524 8.988 1.317 56 HB2 ALA 8 HB2 ALA 8 -0.781 9.203 2.507 57 HB3 ALA 8 HB3 ALA 8 -0.971 8.033 1.180 58 H ARG 9 H ARG 9 0.934 11.258 -0.275 59 HA ARG 9 HA ARG 9 1.351 13.196 1.749 60 HB2 ARG 9 HB2 ARG 9 2.176 12.880 -1.112 61 HB3 ARG 9 HB3 ARG 9 2.489 14.419 -0.275 62 HG2 ARG 9 HG2 ARG 9 4.471 13.237 0.061 63 HG3 ARG 9 HG3 ARG 9 3.564 12.939 1.564 64 HD2 ARG 9 HD2 ARG 9 2.782 10.775 0.638 65 HD3 ARG 9 HD3 ARG 9 3.747 11.070 -0.828 66 HE ARG 9 HE ARG 9 4.696 10.106 1.727 67 HH11 ARG 9 HH11 ARG 9 5.557 11.944 -1.140 68 HH12 ARG 9 HH12 ARG 9 7.271 11.612 -0.987 69 HH21 ARG 9 HH21 ARG 9 6.918 9.679 1.919 70 HH22 ARG 9 HH22 ARG 9 8.041 10.332 0.742 71 H ARG 10 H ARG 10 -0.268 13.572 -1.436 72 HA ARG 10 HA ARG 10 -1.019 16.306 -0.959 73 HB2 ARG 10 HB2 ARG 10 -2.395 14.292 -2.740 74 HB3 ARG 10 HB3 ARG 10 -2.412 16.066 -2.880 75 HG2 ARG 10 HG2 ARG 10 0.152 15.850 -3.167 76 HG3 ARG 10 HG3 ARG 10 -0.178 14.132 -3.493 77 HD2 ARG 10 HD2 ARG 10 -0.268 14.970 -5.641 78 HD3 ARG 10 HD3 ARG 10 -1.973 15.148 -5.165 79 HE ARG 10 HE ARG 10 -0.846 17.539 -4.429 80 HH11 ARG 10 HH11 ARG 10 -0.938 15.658 -7.395 81 HH12 ARG 10 HH12 ARG 10 -0.856 17.067 -8.435 82 HH21 ARG 10 HH21 ARG 10 -0.744 19.361 -5.783 83 HH22 ARG 10 HH22 ARG 10 -0.746 19.159 -7.524 84 H ASN 11 H ASN 11 -2.683 13.197 -0.421 85 HA ASN 11 HA ASN 11 -5.217 14.255 0.287 86 HB2 ASN 11 HB2 ASN 11 -3.708 11.745 1.028 87 HB3 ASN 11 HB3 ASN 11 -5.306 12.104 1.725 88 HD21 ASN 11 HD22 ASN 11 -4.138 10.067 -0.304 89 HD22 ASN 11 HD21 ASN 11 -5.289 10.123 -1.626 90 H ARG 12 H ARG 12 -2.271 13.790 2.232 91 HA ARG 12 HA ARG 12 -3.432 14.377 4.765 92 HB2 ARG 12 HB2 ARG 12 -1.146 13.425 4.253 93 HB3 ARG 12 HB3 ARG 12 -0.642 15.084 3.853 94 HG2 ARG 12 HG2 ARG 12 0.044 14.752 6.088 95 HG3 ARG 12 HG3 ARG 12 -1.438 15.732 6.188 96 HD2 ARG 12 HD2 ARG 12 -2.742 13.657 6.620 97 HD3 ARG 12 HD3 ARG 12 -1.224 12.727 6.605 98 HE ARG 12 HE ARG 12 -0.769 13.470 8.741 99 HH11 ARG 12 HH11 ARG 12 -3.304 15.435 7.308 100 HH12 ARG 12 HH12 ARG 12 -3.660 16.280 8.802 101 HH21 ARG 12 HH21 ARG 12 -1.235 14.570 10.672 102 HH22 ARG 12 HH22 ARG 12 -2.492 15.792 10.703 103 H ARG 13 H ARG 13 -2.238 16.487 2.176 104 HA ARG 13 HA ARG 13 -2.439 18.904 3.780 105 HB2 ARG 13 HB2 ARG 13 -2.404 18.582 0.775 106 HB3 ARG 13 HB3 ARG 13 -2.052 20.057 1.706 107 HG2 ARG 13 HG2 ARG 13 -0.425 17.506 1.894 108 HG3 ARG 13 HG3 ARG 13 -0.027 18.854 0.802 109 HD2 ARG 13 HD2 ARG 13 -0.210 20.284 3.019 110 HD3 ARG 13 HD3 ARG 13 0.096 18.716 3.804 111 HE ARG 13 HE ARG 13 2.012 19.090 1.748 112 HH11 ARG 13 HH11 ARG 13 1.089 20.403 4.873 113 HH12 ARG 13 HH12 ARG 13 2.718 20.907 5.280 114 HH21 ARG 13 HH21 ARG 13 4.120 19.746 2.280 115 HH22 ARG 13 HH22 ARG 13 4.431 20.535 3.814 116 H ARG 14 H ARG 14 -4.558 17.181 1.505 117 HA ARG 14 HA ARG 14 -6.537 19.249 1.313 118 HB2 ARG 14 HB2 ARG 14 -6.300 17.318 -0.224 119 HB3 ARG 14 HB3 ARG 14 -6.861 16.250 1.084 120 HG2 ARG 14 HG2 ARG 14 -9.016 17.365 1.127 121 HG3 ARG 14 HG3 ARG 14 -8.461 18.549 -0.080 122 HD2 ARG 14 HD2 ARG 14 -8.154 16.701 -1.711 123 HD3 ARG 14 HD3 ARG 14 -8.790 15.557 -0.505 124 HE ARG 14 HE ARG 14 -10.936 16.297 -0.949 125 HH11 ARG 14 HH11 ARG 14 -8.581 18.484 -2.366 126 HH12 ARG 14 HH12 ARG 14 -9.781 19.381 -3.276 127 HH21 ARG 14 HH21 ARG 14 -12.486 17.467 -2.128 128 HH22 ARG 14 HH22 ARG 14 -11.987 18.807 -3.142 129 H ARG 15 H ARG 15 -5.886 16.771 3.722 130 HA ARG 15 HA ARG 15 -8.399 16.705 5.016 131 HB2 ARG 15 HB2 ARG 15 -6.490 15.208 5.478 132 HB3 ARG 15 HB3 ARG 15 -5.641 16.568 6.251 133 HG2 ARG 15 HG2 ARG 15 -6.538 15.496 8.092 134 HG3 ARG 15 HG3 ARG 15 -7.798 16.701 7.734 135 HD2 ARG 15 HD2 ARG 15 -9.069 14.992 6.483 136 HD3 ARG 15 HD3 ARG 15 -7.814 13.788 6.862 137 HE ARG 15 HE ARG 15 -8.983 15.078 9.201 138 HH11 ARG 15 HH11 ARG 15 -9.214 12.446 6.886 139 HH12 ARG 15 HH12 ARG 15 -10.144 11.421 7.961 140 HH21 ARG 15 HH21 ARG 15 -10.184 13.743 10.590 141 HH22 ARG 15 HH22 ARG 15 -10.692 12.153 10.054 142 H TRP 16 H TRP 16 -5.552 18.678 5.990 143 HA TRP 16 HA TRP 16 -6.980 20.248 7.880 144 HB2 TRP 16 HB2 TRP 16 -4.386 20.541 6.370 145 HB3 TRP 16 HB3 TRP 16 -5.025 21.933 7.278 146 HD1 TRP 16 HD1 TRP 16 -2.966 19.068 7.614 147 HE1 TRP 16 HE1 TRP 16 -2.437 18.518 10.210 148 HE3 TRP 16 HE3 TRP 16 -6.523 22.019 9.737 149 HZ2 TRP 16 HZ2 TRP 16 -3.475 19.312 12.641 150 HZ3 TRP 16 HZ3 TRP 16 -6.745 22.111 12.133 151 HH2 TRP 16 HH2 TRP 16 -5.254 20.794 13.629 152 H ARG 17 H ARG 17 -6.616 20.575 4.379 153 HA ARG 17 HA ARG 17 -7.607 23.263 4.199 154 HB2 ARG 17 HB2 ARG 17 -6.419 21.685 2.470 155 HB3 ARG 17 HB3 ARG 17 -8.087 21.201 2.083 156 HG2 ARG 17 HG2 ARG 17 -7.279 24.106 2.151 157 HG3 ARG 17 HG3 ARG 17 -6.984 23.107 0.708 158 HD2 ARG 17 HD2 ARG 17 -9.523 22.459 1.014 159 HD3 ARG 17 HD3 ARG 17 -9.589 23.980 1.935 160 HE ARG 17 HE ARG 17 -9.478 25.142 -0.044 161 HH11 ARG 17 HH11 ARG 17 -8.326 21.862 -0.553 162 HH12 ARG 17 HH12 ARG 17 -8.178 22.055 -2.289 163 HH21 ARG 17 HH21 ARG 17 -9.285 25.383 -2.294 164 HH22 ARG 17 HH22 ARG 17 -8.719 24.043 -3.273 165 H GLU 18 H GLU 18 -9.234 20.079 4.014 166 HA GLU 18 HA GLU 18 -11.847 21.233 3.553 167 HB2 GLU 18 HB2 GLU 18 -10.891 18.529 4.500 168 HB3 GLU 18 HB3 GLU 18 -12.607 18.936 4.266 169 HG2 GLU 18 HG2 GLU 18 -10.435 18.958 2.155 170 HG3 GLU 18 HG3 GLU 18 -11.724 17.744 2.331 171 H ARG 19 H ARG 19 -9.968 20.417 6.428 172 HA ARG 19 HA ARG 19 -12.093 20.473 8.321 173 HB2 ARG 19 HB2 ARG 19 -9.803 19.665 8.755 174 HB3 ARG 19 HB3 ARG 19 -9.214 21.340 8.646 175 HG2 ARG 19 HG2 ARG 19 -9.416 20.829 10.967 176 HG3 ARG 19 HG3 ARG 19 -10.767 21.909 10.549 177 HD2 ARG 19 HD2 ARG 19 -11.173 18.936 10.403 178 HD3 ARG 19 HD3 ARG 19 -11.172 19.729 11.996 179 HE ARG 19 HE ARG 19 -12.890 21.194 10.305 180 HH11 ARG 19 HH11 ARG 19 -12.655 18.011 11.774 181 HH12 ARG 19 HH12 ARG 19 -14.391 17.788 11.859 182 HH21 ARG 19 HH21 ARG 19 -15.138 20.900 10.421 183 HH22 ARG 19 HH22 ARG 19 -15.795 19.421 11.095 184 H GLN 20 H GLN 20 -10.301 23.067 6.729 185 HA GLN 20 HA GLN 20 -11.387 25.130 8.498 186 HB2 GLN 20 HB2 GLN 20 -9.190 25.021 7.006 187 HB3 GLN 20 HB3 GLN 20 -10.287 25.723 5.793 188 HG2 GLN 20 HG2 GLN 20 -10.465 27.717 6.900 189 HG3 GLN 20 HG3 GLN 20 -10.287 26.965 8.503 190 HE21 GLN 20 HE22 GLN 20 -8.182 26.797 5.607 191 HE22 GLN 20 HE21 GLN 20 -6.768 27.480 6.386 192 H ARG 21 H ARG 21 -12.330 23.561 5.512 193 HA ARG 21 HA ARG 21 -14.030 25.479 4.385 194 HB2 ARG 21 HB2 ARG 21 -13.402 22.977 3.768 195 HB3 ARG 21 HB3 ARG 21 -14.954 22.650 4.576 196 HG2 ARG 21 HG2 ARG 21 -15.948 24.432 3.031 197 HG3 ARG 21 HG3 ARG 21 -14.430 24.321 2.109 198 HD2 ARG 21 HD2 ARG 21 -14.978 21.717 2.211 199 HD3 ARG 21 HD3 ARG 21 -16.640 22.318 2.416 200 HE ARG 21 HE ARG 21 -15.306 23.601 0.206 201 HH11 ARG 21 HH11 ARG 21 -16.938 20.659 1.219 202 HH12 ARG 21 HH12 ARG 21 -17.455 20.243 -0.403 203 HH21 ARG 21 HH21 ARG 21 -15.978 23.055 -1.892 204 HH22 ARG 21 HH22 ARG 21 -16.913 21.597 -2.162 205 H ALA 22 H ALA 22 -14.514 23.507 7.271 206 HA ALA 22 HA ALA 22 -17.316 23.947 7.529 207 HB1 ALA 22 HB1 ALA 22 -15.220 23.499 9.684 208 HB2 ALA 22 HB2 ALA 22 -16.979 23.311 9.879 209 HB3 ALA 22 HB3 ALA 22 -16.083 22.226 8.789 210 H ALA 23 H ALA 23 -14.503 25.819 8.678 211 HA ALA 23 HA ALA 23 -16.264 27.796 9.938 212 HB1 ALA 23 HB1 ALA 23 -13.258 27.785 9.494 213 HB2 ALA 23 HB2 ALA 23 -14.162 28.933 10.509 214 HB3 ALA 23 HB3 ALA 23 -14.098 27.211 10.954 215 H ALA 24 H ALA 24 -13.864 27.844 7.257 216 HA ALA 24 HA ALA 24 -14.404 30.453 6.386 217 HB1 ALA 24 HB1 ALA 24 -13.640 28.036 4.712 218 HB2 ALA 24 HB2 ALA 24 -13.460 29.741 4.234 219 HB3 ALA 24 HB3 ALA 24 -12.511 29.093 5.592 220 H ALA 25 H ALA 25 -16.015 27.402 5.452 221 HA ALA 25 HA ALA 25 -18.101 29.067 4.115 222 HB1 ALA 25 HB1 ALA 25 -17.358 26.155 3.669 223 HB2 ALA 25 HB2 ALA 25 -18.629 27.055 2.808 224 HB3 ALA 25 HB3 ALA 25 -16.922 27.516 2.608 225 H ARG 26 H ARG 26 -20.091 29.120 4.899 226 HA ARG 26 HA ARG 26 -20.694 27.599 7.327 227 HB2 ARG 26 HB2 ARG 26 -22.516 29.361 5.686 228 HB3 ARG 26 HB3 ARG 26 -22.707 28.872 7.387 229 HG2 ARG 26 HG2 ARG 26 -20.375 30.084 7.657 230 HG3 ARG 26 HG3 ARG 26 -20.883 30.922 6.171 231 HD2 ARG 26 HD2 ARG 26 -22.488 30.775 8.749 232 HD3 ARG 26 HD3 ARG 26 -21.522 32.172 8.216 233 HE ARG 26 HE ARG 26 -23.328 31.539 6.146 234 HH11 ARG 26 HH11 ARG 26 -23.366 32.676 9.471 235 HH12 ARG 26 HH12 ARG 26 -24.850 33.586 9.271 236 HH21 ARG 26 HH21 ARG 26 -25.249 32.725 5.895 237 HH22 ARG 26 HH22 ARG 26 -25.914 33.614 7.251 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 5.047 -0.134 -0.494 2 H2 GLY 1 H2 GLY 1 5.178 -1.363 -1.575 3 H3 GLY 1 H3 GLY 1 3.665 -0.968 -0.790 4 HA2 GLY 1 HA2 GLY 1 4.660 -0.193 -3.197 5 HA3 GLY 1 HA3 GLY 1 3.121 0.209 -2.399 6 H ALA 2 H ALA 2 5.720 1.572 -3.821 7 HA ALA 2 HA ALA 2 6.282 3.687 -1.904 8 HB1 ALA 2 HB1 ALA 2 6.921 3.461 -4.866 9 HB2 ALA 2 HB2 ALA 2 7.602 4.655 -3.736 10 HB3 ALA 2 HB3 ALA 2 7.968 2.925 -3.530 11 H MET 3 H MET 3 4.400 3.434 -4.942 12 HA MET 3 HA MET 3 3.561 6.173 -4.960 13 HB2 MET 3 HB2 MET 3 1.801 5.372 -6.479 14 HB3 MET 3 HB3 MET 3 3.429 4.821 -6.938 15 HG2 MET 3 HG2 MET 3 3.001 2.614 -6.130 16 HG3 MET 3 HG3 MET 3 1.482 3.127 -5.358 17 HE1 MET 3 HE1 MET 3 3.336 2.727 -8.840 18 HE2 MET 3 HE2 MET 3 2.010 3.107 -9.964 19 HE3 MET 3 HE3 MET 3 2.654 4.370 -8.888 20 H ALA 4 H ALA 4 2.392 3.332 -3.245 21 HA ALA 4 HA ALA 4 -0.193 4.199 -2.586 22 HB1 ALA 4 HB1 ALA 4 1.770 2.659 -0.852 23 HB2 ALA 4 HB2 ALA 4 0.006 2.730 -0.627 24 HB3 ALA 4 HB3 ALA 4 0.688 1.955 -2.077 25 H THR 5 H THR 5 2.883 4.884 -0.877 26 HA THR 5 HA THR 5 1.635 6.519 1.155 27 HB THR 5 HB THR 5 4.103 7.435 1.258 28 HG1 THR 5 HG1 THR 5 5.573 5.896 0.349 29 HG21 THR 5 HG21 THR 5 3.455 4.517 1.846 30 HG22 THR 5 HG22 THR 5 4.789 5.451 2.563 31 HG23 THR 5 HG23 THR 5 3.102 5.896 2.914 32 H ARG 6 H ARG 6 3.090 7.241 -2.006 33 HA ARG 6 HA ARG 6 3.171 10.043 -1.809 34 HB2 ARG 6 HB2 ARG 6 3.639 8.181 -3.751 35 HB3 ARG 6 HB3 ARG 6 2.166 8.973 -4.359 36 HG2 ARG 6 HG2 ARG 6 3.226 10.944 -4.775 37 HG3 ARG 6 HG3 ARG 6 4.328 10.766 -3.388 38 HD2 ARG 6 HD2 ARG 6 4.530 9.244 -6.014 39 HD3 ARG 6 HD3 ARG 6 5.530 10.642 -5.551 40 HE ARG 6 HE ARG 6 5.884 7.899 -4.735 41 HH11 ARG 6 HH11 ARG 6 6.270 11.241 -3.719 42 HH12 ARG 6 HH12 ARG 6 7.577 10.879 -2.608 43 HH21 ARG 6 HH21 ARG 6 7.575 7.438 -3.293 44 HH22 ARG 6 HH22 ARG 6 8.314 8.729 -2.367 45 H GLN 7 H GLN 7 0.487 8.131 -3.257 46 HA GLN 7 HA GLN 7 -1.293 10.356 -3.421 47 HB2 GLN 7 HB2 GLN 7 -1.551 8.273 -4.688 48 HB3 GLN 7 HB3 GLN 7 -1.881 7.397 -3.174 49 HG2 GLN 7 HG2 GLN 7 -3.984 8.352 -2.921 50 HG3 GLN 7 HG3 GLN 7 -3.578 9.762 -3.928 51 HE21 GLN 7 HE22 GLN 7 -3.425 9.471 -6.250 52 HE22 GLN 7 HE21 GLN 7 -4.367 8.211 -7.025 53 H ALA 8 H ALA 8 -0.443 8.234 -0.766 54 HA ALA 8 HA ALA 8 -2.715 8.642 0.868 55 HB1 ALA 8 HB1 ALA 8 0.188 8.280 1.691 56 HB2 ALA 8 HB2 ALA 8 -1.234 8.042 2.734 57 HB3 ALA 8 HB3 ALA 8 -0.966 6.972 1.336 58 H ARG 9 H ARG 9 0.051 10.725 0.200 59 HA ARG 9 HA ARG 9 -0.663 12.595 2.353 60 HB2 ARG 9 HB2 ARG 9 1.674 12.026 1.328 61 HB3 ARG 9 HB3 ARG 9 1.191 13.198 0.079 62 HG2 ARG 9 HG2 ARG 9 2.373 14.518 1.593 63 HG3 ARG 9 HG3 ARG 9 0.679 14.771 2.076 64 HD2 ARG 9 HD2 ARG 9 0.894 13.248 3.919 65 HD3 ARG 9 HD3 ARG 9 2.489 12.698 3.354 66 HE ARG 9 HE ARG 9 2.601 15.494 3.818 67 HH11 ARG 9 HH11 ARG 9 2.255 12.462 5.558 68 HH12 ARG 9 HH12 ARG 9 3.002 13.076 7.020 69 HH21 ARG 9 HH21 ARG 9 3.569 16.281 5.715 70 HH22 ARG 9 HH22 ARG 9 3.745 15.233 7.109 71 H ARG 10 H ARG 10 -1.306 12.172 -1.071 72 HA ARG 10 HA ARG 10 -2.083 14.849 -1.677 73 HB2 ARG 10 HB2 ARG 10 -3.148 12.242 -2.784 74 HB3 ARG 10 HB3 ARG 10 -3.319 13.853 -3.521 75 HG2 ARG 10 HG2 ARG 10 -0.850 13.982 -3.732 76 HG3 ARG 10 HG3 ARG 10 -0.731 12.332 -3.077 77 HD2 ARG 10 HD2 ARG 10 -0.675 11.883 -5.343 78 HD3 ARG 10 HD3 ARG 10 -2.425 11.783 -5.036 79 HE ARG 10 HE ARG 10 -1.577 14.447 -5.783 80 HH11 ARG 10 HH11 ARG 10 -2.431 11.261 -6.990 81 HH12 ARG 10 HH12 ARG 10 -2.939 11.857 -8.558 82 HH21 ARG 10 HH21 ARG 10 -2.237 15.212 -7.817 83 HH22 ARG 10 HH22 ARG 10 -2.830 14.090 -9.026 84 H ASN 11 H ASN 11 -3.860 12.137 -0.217 85 HA ASN 11 HA ASN 11 -6.329 13.764 -0.114 86 HB2 ASN 11 HB2 ASN 11 -7.247 11.703 0.983 87 HB3 ASN 11 HB3 ASN 11 -6.621 11.441 -0.662 88 HD21 ASN 11 HD22 ASN 11 -5.547 9.602 -0.886 89 HD22 ASN 11 HD21 ASN 11 -4.555 8.837 0.341 90 H ARG 12 H ARG 12 -3.656 12.795 1.939 91 HA ARG 12 HA ARG 12 -4.996 13.478 4.430 92 HB2 ARG 12 HB2 ARG 12 -3.175 11.880 4.369 93 HB3 ARG 12 HB3 ARG 12 -2.084 13.116 3.699 94 HG2 ARG 12 HG2 ARG 12 -3.433 13.715 6.293 95 HG3 ARG 12 HG3 ARG 12 -2.136 12.497 6.305 96 HD2 ARG 12 HD2 ARG 12 -0.884 14.370 4.868 97 HD3 ARG 12 HD3 ARG 12 -2.004 15.436 5.749 98 HE ARG 12 HE ARG 12 0.310 14.056 6.812 99 HH11 ARG 12 HH11 ARG 12 -2.858 15.372 7.569 100 HH12 ARG 12 HH12 ARG 12 -2.484 15.621 9.263 101 HH21 ARG 12 HH21 ARG 12 0.787 14.380 9.009 102 HH22 ARG 12 HH22 ARG 12 -0.425 15.061 10.077 103 H ARG 13 H ARG 13 -3.062 15.203 2.039 104 HA ARG 13 HA ARG 13 -2.666 17.528 3.762 105 HB2 ARG 13 HB2 ARG 13 -1.688 18.540 1.841 106 HB3 ARG 13 HB3 ARG 13 -1.108 16.862 1.957 107 HG2 ARG 13 HG2 ARG 13 -1.574 16.923 -0.281 108 HG3 ARG 13 HG3 ARG 13 -3.171 16.430 0.330 109 HD2 ARG 13 HD2 ARG 13 -4.121 18.488 -0.084 110 HD3 ARG 13 HD3 ARG 13 -2.584 19.359 0.126 111 HE ARG 13 HE ARG 13 -3.656 18.234 -2.334 112 HH11 ARG 13 HH11 ARG 13 -0.770 19.260 -0.612 113 HH12 ARG 13 HH12 ARG 13 0.146 19.554 -2.077 114 HH21 ARG 13 HH21 ARG 13 -2.460 18.616 -4.228 115 HH22 ARG 13 HH22 ARG 13 -0.808 19.190 -4.119 116 H ARG 14 H ARG 14 -5.096 16.417 1.493 117 HA ARG 14 HA ARG 14 -6.309 19.047 1.149 118 HB2 ARG 14 HB2 ARG 14 -6.393 16.817 -0.294 119 HB3 ARG 14 HB3 ARG 14 -7.811 16.506 0.737 120 HG2 ARG 14 HG2 ARG 14 -8.756 17.568 -1.106 121 HG3 ARG 14 HG3 ARG 14 -8.537 18.907 0.046 122 HD2 ARG 14 HD2 ARG 14 -6.186 19.114 -1.170 123 HD3 ARG 14 HD3 ARG 14 -7.052 18.293 -2.490 124 HE ARG 14 HE ARG 14 -7.419 21.032 -1.565 125 HH11 ARG 14 HH11 ARG 14 -8.828 18.304 -3.274 126 HH12 ARG 14 HH12 ARG 14 -9.936 19.299 -4.199 127 HH21 ARG 14 HH21 ARG 14 -8.858 22.315 -2.768 128 HH22 ARG 14 HH22 ARG 14 -9.953 21.565 -3.913 129 H ARG 15 H ARG 15 -6.578 16.412 3.444 130 HA ARG 15 HA ARG 15 -9.137 16.848 4.496 131 HB2 ARG 15 HB2 ARG 15 -7.130 15.214 5.107 132 HB3 ARG 15 HB3 ARG 15 -6.861 16.435 6.374 133 HG2 ARG 15 HG2 ARG 15 -8.806 15.924 7.481 134 HG3 ARG 15 HG3 ARG 15 -9.636 15.394 5.999 135 HD2 ARG 15 HD2 ARG 15 -8.091 13.381 5.988 136 HD3 ARG 15 HD3 ARG 15 -7.558 13.879 7.611 137 HE ARG 15 HE ARG 15 -10.298 13.774 7.823 138 HH11 ARG 15 HH11 ARG 15 -7.802 11.544 6.756 139 HH12 ARG 15 HH12 ARG 15 -8.690 10.119 7.261 140 HH21 ARG 15 HH21 ARG 15 -11.441 11.924 8.475 141 HH22 ARG 15 HH22 ARG 15 -10.745 10.333 8.232 142 H TRP 16 H TRP 16 -6.195 18.762 4.937 143 HA TRP 16 HA TRP 16 -7.220 20.367 7.103 144 HB2 TRP 16 HB2 TRP 16 -4.944 20.611 5.125 145 HB3 TRP 16 HB3 TRP 16 -5.373 21.982 6.175 146 HD1 TRP 16 HD1 TRP 16 -3.046 19.485 6.029 147 HE1 TRP 16 HE1 TRP 16 -2.133 18.713 8.455 148 HE3 TRP 16 HE3 TRP 16 -6.772 21.443 8.883 149 HZ2 TRP 16 HZ2 TRP 16 -2.996 18.986 11.062 150 HZ3 TRP 16 HZ3 TRP 16 -6.722 21.191 11.277 151 HH2 TRP 16 HH2 TRP 16 -4.871 19.980 12.418 152 H ARG 17 H ARG 17 -7.379 20.624 3.567 153 HA ARG 17 HA ARG 17 -8.439 23.302 3.534 154 HB2 ARG 17 HB2 ARG 17 -7.412 21.762 1.663 155 HB3 ARG 17 HB3 ARG 17 -9.106 21.262 1.454 156 HG2 ARG 17 HG2 ARG 17 -8.349 24.179 1.492 157 HG3 ARG 17 HG3 ARG 17 -8.167 23.215 0.007 158 HD2 ARG 17 HD2 ARG 17 -10.601 22.530 0.304 159 HD3 ARG 17 HD3 ARG 17 -10.707 23.778 1.568 160 HE ARG 17 HE ARG 17 -9.638 24.961 -0.772 161 HH11 ARG 17 HH11 ARG 17 -12.617 23.530 0.418 162 HH12 ARG 17 HH12 ARG 17 -13.642 24.501 -0.622 163 HH21 ARG 17 HH21 ARG 17 -10.971 26.216 -2.115 164 HH22 ARG 17 HH22 ARG 17 -12.712 26.019 -2.053 165 H GLU 18 H GLU 18 -10.096 20.153 2.984 166 HA GLU 18 HA GLU 18 -12.718 21.182 2.978 167 HB2 GLU 18 HB2 GLU 18 -13.441 18.947 3.460 168 HB3 GLU 18 HB3 GLU 18 -12.078 18.900 2.316 169 HG2 GLU 18 HG2 GLU 18 -10.555 18.331 4.147 170 HG3 GLU 18 HG3 GLU 18 -11.912 18.387 5.297 171 H ARG 19 H ARG 19 -10.563 20.516 5.680 172 HA ARG 19 HA ARG 19 -12.672 20.718 7.685 173 HB2 ARG 19 HB2 ARG 19 -9.664 20.640 7.715 174 HB3 ARG 19 HB3 ARG 19 -10.597 21.018 9.183 175 HG2 ARG 19 HG2 ARG 19 -11.044 18.519 7.533 176 HG3 ARG 19 HG3 ARG 19 -9.893 18.590 8.888 177 HD2 ARG 19 HD2 ARG 19 -11.988 19.572 10.180 178 HD3 ARG 19 HD3 ARG 19 -12.894 18.717 8.910 179 HE ARG 19 HE ARG 19 -11.409 17.541 11.123 180 HH11 ARG 19 HH11 ARG 19 -12.745 17.053 7.912 181 HH12 ARG 19 HH12 ARG 19 -12.850 15.312 8.087 182 HH21 ARG 19 HH21 ARG 19 -11.545 15.285 11.342 183 HH22 ARG 19 HH22 ARG 19 -12.172 14.313 10.025 184 H GLN 20 H GLN 20 -10.553 22.943 6.002 185 HA GLN 20 HA GLN 20 -10.828 25.112 7.897 186 HB2 GLN 20 HB2 GLN 20 -9.168 24.651 5.871 187 HB3 GLN 20 HB3 GLN 20 -10.392 25.594 4.989 188 HG2 GLN 20 HG2 GLN 20 -10.120 27.452 6.557 189 HG3 GLN 20 HG3 GLN 20 -8.938 26.508 7.495 190 HE21 GLN 20 HE22 GLN 20 -7.133 25.538 5.944 191 HE22 GLN 20 HE21 GLN 20 -6.386 26.733 4.901 192 H ARG 21 H ARG 21 -12.808 23.868 5.289 193 HA ARG 21 HA ARG 21 -14.348 26.115 4.639 194 HB2 ARG 21 HB2 ARG 21 -14.404 23.645 3.809 195 HB3 ARG 21 HB3 ARG 21 -15.611 23.433 5.099 196 HG2 ARG 21 HG2 ARG 21 -16.777 23.870 3.038 197 HG3 ARG 21 HG3 ARG 21 -16.934 25.296 4.091 198 HD2 ARG 21 HD2 ARG 21 -15.584 26.605 2.758 199 HD3 ARG 21 HD3 ARG 21 -14.646 25.216 2.161 200 HE ARG 21 HE ARG 21 -17.174 24.855 1.103 201 HH11 ARG 21 HH11 ARG 21 -14.760 27.407 1.060 202 HH12 ARG 21 HH12 ARG 21 -15.230 27.991 -0.525 203 HH21 ARG 21 HH21 ARG 21 -17.774 25.614 -0.952 204 HH22 ARG 21 HH22 ARG 21 -16.933 26.978 -1.662 205 H ALA 22 H ALA 22 -14.435 24.134 7.561 206 HA ALA 22 HA ALA 22 -16.925 25.129 8.546 207 HB1 ALA 22 HB1 ALA 22 -14.511 24.080 10.065 208 HB2 ALA 22 HB2 ALA 22 -16.159 24.261 10.712 209 HB3 ALA 22 HB3 ALA 22 -15.839 23.093 9.408 210 H ALA 23 H ALA 23 -13.581 26.304 8.843 211 HA ALA 23 HA ALA 23 -14.424 28.474 10.622 212 HB1 ALA 23 HB1 ALA 23 -11.766 27.921 9.257 213 HB2 ALA 23 HB2 ALA 23 -12.060 29.136 10.523 214 HB3 ALA 23 HB3 ALA 23 -12.222 27.403 10.897 215 H ALA 24 H ALA 24 -13.000 28.274 7.325 216 HA ALA 24 HA ALA 24 -13.295 31.026 6.743 217 HB1 ALA 24 HB1 ALA 24 -13.354 28.656 4.843 218 HB2 ALA 24 HB2 ALA 24 -13.053 30.351 4.394 219 HB3 ALA 24 HB3 ALA 24 -11.893 29.486 5.429 220 H ALA 25 H ALA 25 -15.535 28.297 6.209 221 HA ALA 25 HA ALA 25 -17.612 30.309 5.470 222 HB1 ALA 25 HB1 ALA 25 -17.484 27.331 4.880 223 HB2 ALA 25 HB2 ALA 25 -18.776 28.445 4.374 224 HB3 ALA 25 HB3 ALA 25 -17.130 28.639 3.726 225 H ARG 26 H ARG 26 -19.406 30.552 6.643 226 HA ARG 26 HA ARG 26 -19.671 28.809 9.055 227 HB2 ARG 26 HB2 ARG 26 -20.469 31.631 8.388 228 HB3 ARG 26 HB3 ARG 26 -21.257 30.735 9.709 229 HG2 ARG 26 HG2 ARG 26 -19.225 30.547 10.926 230 HG3 ARG 26 HG3 ARG 26 -18.255 31.068 9.528 231 HD2 ARG 26 HD2 ARG 26 -20.315 32.847 10.864 232 HD3 ARG 26 HD3 ARG 26 -18.606 32.807 11.359 233 HE ARG 26 HE ARG 26 -18.813 33.231 8.538 234 HH11 ARG 26 HH11 ARG 26 -19.289 34.823 11.633 235 HH12 ARG 26 HH12 ARG 26 -18.978 36.425 10.993 236 HH21 ARG 26 HH21 ARG 26 -18.407 35.309 7.718 237 HH22 ARG 26 HH22 ARG 26 -18.479 36.700 8.782 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 2.509 -0.579 0.684 2 H2 GLY 1 H2 GLY 1 1.702 -1.746 -0.142 3 H3 GLY 1 H3 GLY 1 0.998 -0.917 1.229 4 HA2 GLY 1 HA2 GLY 1 0.793 -0.413 -1.432 5 HA3 GLY 1 HA3 GLY 1 0.077 0.429 -0.038 6 H ALA 2 H ALA 2 3.059 0.151 -1.999 7 HA ALA 2 HA ALA 2 4.320 2.482 -0.978 8 HB1 ALA 2 HB1 ALA 2 4.537 1.228 -3.737 9 HB2 ALA 2 HB2 ALA 2 5.685 2.382 -3.018 10 HB3 ALA 2 HB3 ALA 2 5.485 0.764 -2.304 11 H MET 3 H MET 3 2.037 2.041 -3.684 12 HA MET 3 HA MET 3 2.171 4.823 -4.501 13 HB2 MET 3 HB2 MET 3 0.029 2.746 -5.002 14 HB3 MET 3 HB3 MET 3 0.260 4.277 -5.881 15 HG2 MET 3 HG2 MET 3 2.615 3.343 -6.424 16 HG3 MET 3 HG3 MET 3 1.931 1.770 -5.948 17 HE1 MET 3 HE1 MET 3 2.087 4.598 -8.598 18 HE2 MET 3 HE2 MET 3 0.637 4.316 -9.589 19 HE3 MET 3 HE3 MET 3 0.471 4.907 -7.919 20 H ALA 4 H ALA 4 0.307 3.006 -2.141 21 HA ALA 4 HA ALA 4 -1.742 5.005 -1.813 22 HB1 ALA 4 HB1 ALA 4 -0.783 2.835 0.086 23 HB2 ALA 4 HB2 ALA 4 -2.300 3.755 0.227 24 HB3 ALA 4 HB3 ALA 4 -2.051 2.653 -1.149 25 H THR 5 H THR 5 1.429 4.443 -0.331 26 HA THR 5 HA THR 5 1.046 6.519 1.697 27 HB THR 5 HB THR 5 3.664 6.218 1.764 28 HG1 THR 5 HG1 THR 5 4.253 4.126 0.965 29 HG21 THR 5 HG21 THR 5 1.772 3.957 2.528 30 HG22 THR 5 HG22 THR 5 3.399 4.223 3.198 31 HG23 THR 5 HG23 THR 5 2.106 5.407 3.503 32 H ARG 6 H ARG 6 2.286 6.371 -1.586 33 HA ARG 6 HA ARG 6 3.722 8.853 -1.518 34 HB2 ARG 6 HB2 ARG 6 3.828 7.013 -3.256 35 HB3 ARG 6 HB3 ARG 6 2.284 7.642 -3.880 36 HG2 ARG 6 HG2 ARG 6 3.945 8.625 -5.240 37 HG3 ARG 6 HG3 ARG 6 3.459 9.896 -4.094 38 HD2 ARG 6 HD2 ARG 6 5.432 9.644 -2.809 39 HD3 ARG 6 HD3 ARG 6 5.819 8.078 -3.560 40 HE ARG 6 HE ARG 6 5.898 9.795 -5.678 41 HH11 ARG 6 HH11 ARG 6 7.353 9.820 -2.481 42 HH12 ARG 6 HH12 ARG 6 8.772 10.710 -3.001 43 HH21 ARG 6 HH21 ARG 6 7.740 10.944 -6.344 44 HH22 ARG 6 HH22 ARG 6 8.990 11.345 -5.183 45 H GLN 7 H GLN 7 0.459 8.134 -2.858 46 HA GLN 7 HA GLN 7 -0.202 10.891 -3.255 47 HB2 GLN 7 HB2 GLN 7 -1.473 8.285 -3.465 48 HB3 GLN 7 HB3 GLN 7 -2.583 9.519 -2.823 49 HG2 GLN 7 HG2 GLN 7 -1.505 10.901 -4.878 50 HG3 GLN 7 HG3 GLN 7 -1.369 9.250 -5.528 51 HE21 GLN 7 HE22 GLN 7 -3.373 11.949 -5.140 52 HE22 GLN 7 HE21 GLN 7 -4.898 11.203 -5.577 53 H ALA 8 H ALA 8 -0.352 8.800 -0.443 54 HA ALA 8 HA ALA 8 -2.241 10.164 1.105 55 HB1 ALA 8 HB1 ALA 8 0.364 8.899 2.025 56 HB2 ALA 8 HB2 ALA 8 -1.042 9.269 3.052 57 HB3 ALA 8 HB3 ALA 8 -1.176 8.044 1.768 58 H ARG 9 H ARG 9 1.003 11.140 0.209 59 HA ARG 9 HA ARG 9 1.325 13.159 2.238 60 HB2 ARG 9 HB2 ARG 9 2.990 12.031 0.514 61 HB3 ARG 9 HB3 ARG 9 2.521 13.428 -0.483 62 HG2 ARG 9 HG2 ARG 9 4.352 14.310 0.587 63 HG3 ARG 9 HG3 ARG 9 3.071 14.766 1.735 64 HD2 ARG 9 HD2 ARG 9 3.572 12.634 2.996 65 HD3 ARG 9 HD3 ARG 9 4.983 12.415 1.934 66 HE ARG 9 HE ARG 9 4.937 15.011 3.219 67 HH11 ARG 9 HH11 ARG 9 5.776 11.621 3.604 68 HH12 ARG 9 HH12 ARG 9 6.998 11.937 4.820 69 HH21 ARG 9 HH21 ARG 9 6.519 15.411 4.796 70 HH22 ARG 9 HH22 ARG 9 7.418 14.078 5.494 71 H ARG 10 H ARG 10 0.566 13.520 -1.261 72 HA ARG 10 HA ARG 10 -0.164 16.277 -1.014 73 HB2 ARG 10 HB2 ARG 10 -1.140 16.000 -3.221 74 HB3 ARG 10 HB3 ARG 10 0.479 15.268 -3.123 75 HG2 ARG 10 HG2 ARG 10 -0.586 13.041 -2.829 76 HG3 ARG 10 HG3 ARG 10 -2.179 13.806 -3.041 77 HD2 ARG 10 HD2 ARG 10 0.064 13.560 -5.067 78 HD3 ARG 10 HD3 ARG 10 -1.579 12.883 -5.165 79 HE ARG 10 HE ARG 10 -2.022 15.580 -5.007 80 HH11 ARG 10 HH11 ARG 10 -0.015 13.542 -7.046 81 HH12 ARG 10 HH12 ARG 10 -0.124 14.612 -8.431 82 HH21 ARG 10 HH21 ARG 10 -2.159 16.960 -6.805 83 HH22 ARG 10 HH22 ARG 10 -1.335 16.543 -8.294 84 H ASN 11 H ASN 11 -2.081 13.271 -0.890 85 HA ASN 11 HA ASN 11 -4.657 14.385 -0.918 86 HB2 ASN 11 HB2 ASN 11 -3.396 11.931 0.217 87 HB3 ASN 11 HB3 ASN 11 -4.999 12.380 0.844 88 HD21 ASN 11 HD22 ASN 11 -3.709 10.282 -1.144 89 HD22 ASN 11 HD21 ASN 11 -4.869 10.265 -2.457 90 H ARG 12 H ARG 12 -2.371 14.106 1.803 91 HA ARG 12 HA ARG 12 -4.071 14.890 3.895 92 HB2 ARG 12 HB2 ARG 12 -1.517 14.234 3.768 93 HB3 ARG 12 HB3 ARG 12 -1.303 16.000 3.723 94 HG2 ARG 12 HG2 ARG 12 -2.043 16.291 5.877 95 HG3 ARG 12 HG3 ARG 12 -3.091 14.853 5.825 96 HD2 ARG 12 HD2 ARG 12 -0.805 13.556 5.667 97 HD3 ARG 12 HD3 ARG 12 -0.135 15.050 6.364 98 HE ARG 12 HE ARG 12 -2.439 14.033 7.811 99 HH11 ARG 12 HH11 ARG 12 1.041 13.821 7.380 100 HH12 ARG 12 HH12 ARG 12 1.327 13.211 8.998 101 HH21 ARG 12 HH21 ARG 12 -2.060 13.241 9.906 102 HH22 ARG 12 HH22 ARG 12 -0.425 12.883 10.425 103 H ARG 13 H ARG 13 -2.394 16.917 1.494 104 HA ARG 13 HA ARG 13 -3.148 19.418 2.709 105 HB2 ARG 13 HB2 ARG 13 -2.610 18.915 -0.214 106 HB3 ARG 13 HB3 ARG 13 -2.390 20.421 0.709 107 HG2 ARG 13 HG2 ARG 13 -0.557 19.401 1.968 108 HG3 ARG 13 HG3 ARG 13 -0.794 17.868 1.095 109 HD2 ARG 13 HD2 ARG 13 0.039 20.528 -0.120 110 HD3 ARG 13 HD3 ARG 13 1.086 19.112 0.137 111 HE ARG 13 HE ARG 13 -1.153 18.353 -1.448 112 HH11 ARG 13 HH11 ARG 13 1.791 20.265 -1.594 113 HH12 ARG 13 HH12 ARG 13 1.992 20.045 -3.321 114 HH21 ARG 13 HH21 ARG 13 -0.883 18.070 -3.685 115 HH22 ARG 13 HH22 ARG 13 0.481 18.805 -4.503 116 H ARG 14 H ARG 14 -4.606 17.409 0.136 117 HA ARG 14 HA ARG 14 -6.669 19.203 -0.599 118 HB2 ARG 14 HB2 ARG 14 -6.329 16.224 -0.638 119 HB3 ARG 14 HB3 ARG 14 -7.904 16.947 -1.044 120 HG2 ARG 14 HG2 ARG 14 -6.531 18.420 -2.691 121 HG3 ARG 14 HG3 ARG 14 -5.266 17.185 -2.487 122 HD2 ARG 14 HD2 ARG 14 -8.057 16.279 -3.102 123 HD3 ARG 14 HD3 ARG 14 -7.096 17.000 -4.415 124 HE ARG 14 HE ARG 14 -6.747 14.388 -3.215 125 HH11 ARG 14 HH11 ARG 14 -5.123 17.049 -4.836 126 HH12 ARG 14 HH12 ARG 14 -3.837 16.039 -5.467 127 HH21 ARG 14 HH21 ARG 14 -5.077 13.087 -4.036 128 HH22 ARG 14 HH22 ARG 14 -3.811 13.801 -5.016 129 H ARG 15 H ARG 15 -6.753 16.556 1.830 130 HA ARG 15 HA ARG 15 -9.414 17.093 2.706 131 HB2 ARG 15 HB2 ARG 15 -7.021 15.675 3.795 132 HB3 ARG 15 HB3 ARG 15 -8.374 16.038 4.892 133 HG2 ARG 15 HG2 ARG 15 -8.735 13.832 4.064 134 HG3 ARG 15 HG3 ARG 15 -9.895 14.896 3.233 135 HD2 ARG 15 HD2 ARG 15 -7.214 14.306 1.988 136 HD3 ARG 15 HD3 ARG 15 -8.541 13.127 1.852 137 HE ARG 15 HE ARG 15 -8.278 15.640 0.444 138 HH11 ARG 15 HH11 ARG 15 -10.554 13.306 1.750 139 HH12 ARG 15 HH12 ARG 15 -11.829 13.738 0.627 140 HH21 ARG 15 HH21 ARG 15 -9.934 16.197 -1.007 141 HH22 ARG 15 HH22 ARG 15 -11.479 15.371 -0.931 142 H TRP 16 H TRP 16 -6.306 18.531 3.577 143 HA TRP 16 HA TRP 16 -7.048 19.825 5.970 144 HB2 TRP 16 HB2 TRP 16 -4.745 19.709 4.685 145 HB3 TRP 16 HB3 TRP 16 -5.311 21.218 3.930 146 HD1 TRP 16 HD1 TRP 16 -5.747 20.152 7.512 147 HE1 TRP 16 HE1 TRP 16 -4.577 21.997 9.107 148 HE3 TRP 16 HE3 TRP 16 -3.725 23.090 3.888 149 HZ2 TRP 16 HZ2 TRP 16 -3.069 24.273 8.706 150 HZ3 TRP 16 HZ3 TRP 16 -2.456 25.047 4.485 151 HH2 TRP 16 HH2 TRP 16 -2.092 25.685 6.864 152 H ARG 17 H ARG 17 -7.498 20.896 2.588 153 HA ARG 17 HA ARG 17 -8.528 23.465 3.133 154 HB2 ARG 17 HB2 ARG 17 -8.100 21.914 0.913 155 HB3 ARG 17 HB3 ARG 17 -9.877 21.993 0.982 156 HG2 ARG 17 HG2 ARG 17 -8.079 24.430 1.096 157 HG3 ARG 17 HG3 ARG 17 -8.759 23.781 -0.416 158 HD2 ARG 17 HD2 ARG 17 -10.847 24.041 1.562 159 HD3 ARG 17 HD3 ARG 17 -9.973 25.583 1.407 160 HE ARG 17 HE ARG 17 -11.774 24.404 -0.509 161 HH11 ARG 17 HH11 ARG 17 -8.889 26.378 -0.163 162 HH12 ARG 17 HH12 ARG 17 -9.135 27.218 -1.682 163 HH21 ARG 17 HH21 ARG 17 -12.086 25.495 -2.474 164 HH22 ARG 17 HH22 ARG 17 -10.942 26.719 -2.988 165 H GLU 18 H GLU 18 -10.438 20.473 2.537 166 HA GLU 18 HA GLU 18 -12.947 21.599 3.200 167 HB2 GLU 18 HB2 GLU 18 -11.880 18.783 3.454 168 HB3 GLU 18 HB3 GLU 18 -13.582 19.228 3.720 169 HG2 GLU 18 HG2 GLU 18 -13.836 19.926 1.450 170 HG3 GLU 18 HG3 GLU 18 -12.088 19.784 1.150 171 H ARG 19 H ARG 19 -10.441 20.186 5.284 172 HA ARG 19 HA ARG 19 -11.964 20.039 7.673 173 HB2 ARG 19 HB2 ARG 19 -9.550 19.246 7.065 174 HB3 ARG 19 HB3 ARG 19 -9.080 20.860 7.648 175 HG2 ARG 19 HG2 ARG 19 -10.567 20.174 9.726 176 HG3 ARG 19 HG3 ARG 19 -10.209 18.527 9.156 177 HD2 ARG 19 HD2 ARG 19 -7.737 19.327 9.095 178 HD3 ARG 19 HD3 ARG 19 -8.303 20.656 10.135 179 HE ARG 19 HE ARG 19 -7.851 17.913 10.903 180 HH11 ARG 19 HH11 ARG 19 -9.821 20.756 11.519 181 HH12 ARG 19 HH12 ARG 19 -10.170 20.305 13.177 182 HH21 ARG 19 HH21 ARG 19 -8.308 17.333 13.052 183 HH22 ARG 19 HH22 ARG 19 -9.315 18.371 14.043 184 H GLN 20 H GLN 20 -10.470 22.784 6.044 185 HA GLN 20 HA GLN 20 -10.917 24.546 8.364 186 HB2 GLN 20 HB2 GLN 20 -9.055 24.570 6.467 187 HB3 GLN 20 HB3 GLN 20 -10.281 25.554 5.633 188 HG2 GLN 20 HG2 GLN 20 -10.185 27.260 7.234 189 HG3 GLN 20 HG3 GLN 20 -9.449 26.199 8.459 190 HE21 GLN 20 HE22 GLN 20 -7.215 25.399 7.971 191 HE22 GLN 20 HE21 GLN 20 -6.117 26.513 7.179 192 H ARG 21 H ARG 21 -12.540 23.625 5.398 193 HA ARG 21 HA ARG 21 -14.224 25.826 4.983 194 HB2 ARG 21 HB2 ARG 21 -13.960 23.454 3.822 195 HB3 ARG 21 HB3 ARG 21 -15.366 23.075 4.845 196 HG2 ARG 21 HG2 ARG 21 -16.133 23.776 2.655 197 HG3 ARG 21 HG3 ARG 21 -16.565 25.011 3.861 198 HD2 ARG 21 HD2 ARG 21 -15.011 26.536 3.059 199 HD3 ARG 21 HD3 ARG 21 -13.969 25.269 2.368 200 HE ARG 21 HE ARG 21 -16.287 25.125 0.881 201 HH11 ARG 21 HH11 ARG 21 -13.992 27.655 1.704 202 HH12 ARG 21 HH12 ARG 21 -14.237 28.533 0.207 203 HH21 ARG 21 HH21 ARG 21 -16.597 26.267 -1.058 204 HH22 ARG 21 HH22 ARG 21 -15.709 27.748 -1.354 205 H ALA 22 H ALA 22 -14.352 23.379 7.518 206 HA ALA 22 HA ALA 22 -17.013 24.002 8.391 207 HB1 ALA 22 HB1 ALA 22 -14.675 22.818 9.928 208 HB2 ALA 22 HB2 ALA 22 -16.383 22.780 10.427 209 HB3 ALA 22 HB3 ALA 22 -15.862 21.903 8.969 210 H ALA 23 H ALA 23 -13.811 25.307 9.205 211 HA ALA 23 HA ALA 23 -14.951 27.026 11.286 212 HB1 ALA 23 HB1 ALA 23 -12.171 26.937 10.061 213 HB2 ALA 23 HB2 ALA 23 -12.650 27.858 11.507 214 HB3 ALA 23 HB3 ALA 23 -12.690 26.079 11.531 215 H ALA 24 H ALA 24 -13.288 27.580 8.143 216 HA ALA 24 HA ALA 24 -13.816 30.369 8.084 217 HB1 ALA 24 HB1 ALA 24 -13.430 28.436 5.773 218 HB2 ALA 24 HB2 ALA 24 -13.284 30.207 5.693 219 HB3 ALA 24 HB3 ALA 24 -12.133 29.263 6.668 220 H ALA 25 H ALA 25 -15.704 27.596 6.884 221 HA ALA 25 HA ALA 25 -17.900 29.520 6.254 222 HB1 ALA 25 HB1 ALA 25 -17.405 26.716 5.191 223 HB2 ALA 25 HB2 ALA 25 -18.757 27.782 4.743 224 HB3 ALA 25 HB3 ALA 25 -17.090 28.233 4.316 225 H ARG 26 H ARG 26 -19.522 29.599 7.624 226 HA ARG 26 HA ARG 26 -19.852 27.527 9.661 227 HB2 ARG 26 HB2 ARG 26 -21.269 30.093 8.962 228 HB3 ARG 26 HB3 ARG 26 -21.888 28.976 10.202 229 HG2 ARG 26 HG2 ARG 26 -19.889 29.239 11.524 230 HG3 ARG 26 HG3 ARG 26 -19.110 30.191 10.238 231 HD2 ARG 26 HD2 ARG 26 -20.510 32.051 10.602 232 HD3 ARG 26 HD3 ARG 26 -21.707 31.086 11.499 233 HE ARG 26 HE ARG 26 -19.367 30.940 12.995 234 HH11 ARG 26 HH11 ARG 26 -21.493 33.466 11.794 235 HH12 ARG 26 HH12 ARG 26 -21.165 34.547 13.135 236 HH21 ARG 26 HH21 ARG 26 -18.949 32.345 14.729 237 HH22 ARG 26 HH22 ARG 26 -19.728 33.914 14.793 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 2.509 0.866 0.875 2 H2 GLY 1 H2 GLY 1 2.676 -0.748 0.620 3 H3 GLY 1 H3 GLY 1 1.359 0.173 -0.070 4 HA2 GLY 1 HA2 GLY 1 3.770 -0.513 -1.116 5 HA3 GLY 1 HA3 GLY 1 2.430 0.424 -1.819 6 H ALA 2 H ALA 2 5.591 0.594 -1.519 7 HA ALA 2 HA ALA 2 6.253 2.950 -0.172 8 HB1 ALA 2 HB1 ALA 2 7.377 1.933 -2.805 9 HB2 ALA 2 HB2 ALA 2 8.160 3.099 -1.712 10 HB3 ALA 2 HB3 ALA 2 7.897 1.421 -1.182 11 H MET 3 H MET 3 5.067 2.602 -3.535 12 HA MET 3 HA MET 3 5.071 5.487 -3.962 13 HB2 MET 3 HB2 MET 3 5.357 3.703 -5.723 14 HB3 MET 3 HB3 MET 3 3.626 3.341 -5.522 15 HG2 MET 3 HG2 MET 3 3.754 4.777 -7.391 16 HG3 MET 3 HG3 MET 3 3.191 5.789 -6.040 17 HE1 MET 3 HE1 MET 3 4.345 7.011 -8.756 18 HE2 MET 3 HE2 MET 3 6.105 7.270 -8.819 19 HE3 MET 3 HE3 MET 3 5.440 5.628 -8.989 20 H ALA 4 H ALA 4 2.690 3.042 -2.996 21 HA ALA 4 HA ALA 4 0.345 4.527 -3.321 22 HB1 ALA 4 HB1 ALA 4 1.050 2.632 -1.052 23 HB2 ALA 4 HB2 ALA 4 -0.590 3.129 -1.530 24 HB3 ALA 4 HB3 ALA 4 0.405 2.159 -2.642 25 H THR 5 H THR 5 2.847 4.841 -0.854 26 HA THR 5 HA THR 5 1.402 6.417 1.028 27 HB THR 5 HB THR 5 4.293 6.989 0.409 28 HG1 THR 5 HG1 THR 5 4.830 5.055 1.561 29 HG21 THR 5 HG21 THR 5 2.728 6.536 2.984 30 HG22 THR 5 HG22 THR 5 4.439 7.014 2.877 31 HG23 THR 5 HG23 THR 5 3.169 8.119 2.300 32 H ARG 6 H ARG 6 3.096 7.356 -1.956 33 HA ARG 6 HA ARG 6 3.009 10.146 -1.635 34 HB2 ARG 6 HB2 ARG 6 3.907 8.543 -3.541 35 HB3 ARG 6 HB3 ARG 6 2.335 8.935 -4.279 36 HG2 ARG 6 HG2 ARG 6 2.882 11.142 -4.618 37 HG3 ARG 6 HG3 ARG 6 4.012 11.184 -3.244 38 HD2 ARG 6 HD2 ARG 6 5.528 11.220 -4.974 39 HD3 ARG 6 HD3 ARG 6 5.356 9.460 -4.772 40 HE ARG 6 HE ARG 6 3.424 10.063 -6.610 41 HH11 ARG 6 HH11 ARG 6 6.858 10.758 -6.358 42 HH12 ARG 6 HH12 ARG 6 7.106 10.775 -8.093 43 HH21 ARG 6 HH21 ARG 6 3.754 10.083 -8.857 44 HH22 ARG 6 HH22 ARG 6 5.352 10.394 -9.505 45 H GLN 7 H GLN 7 0.569 8.168 -3.396 46 HA GLN 7 HA GLN 7 -1.304 10.261 -3.720 47 HB2 GLN 7 HB2 GLN 7 -1.246 7.940 -4.773 48 HB3 GLN 7 HB3 GLN 7 -2.006 7.363 -3.271 49 HG2 GLN 7 HG2 GLN 7 -3.727 7.735 -4.938 50 HG3 GLN 7 HG3 GLN 7 -3.879 8.957 -3.653 51 HE21 GLN 7 HE22 GLN 7 -5.066 10.318 -5.067 52 HE22 GLN 7 HE21 GLN 7 -4.257 11.234 -6.325 53 H ALA 8 H ALA 8 -0.575 8.274 -0.920 54 HA ALA 8 HA ALA 8 -2.989 8.759 0.514 55 HB1 ALA 8 HB1 ALA 8 -0.179 8.268 1.561 56 HB2 ALA 8 HB2 ALA 8 -1.687 8.110 2.493 57 HB3 ALA 8 HB3 ALA 8 -1.364 7.013 1.130 58 H ARG 9 H ARG 9 -0.014 10.652 0.157 59 HA ARG 9 HA ARG 9 -0.781 12.582 2.206 60 HB2 ARG 9 HB2 ARG 9 1.385 12.284 0.170 61 HB3 ARG 9 HB3 ARG 9 1.060 13.897 0.847 62 HG2 ARG 9 HG2 ARG 9 2.691 13.123 2.290 63 HG3 ARG 9 HG3 ARG 9 1.204 12.651 3.147 64 HD2 ARG 9 HD2 ARG 9 2.690 10.765 3.208 65 HD3 ARG 9 HD3 ARG 9 1.400 10.386 2.042 66 HE ARG 9 HE ARG 9 2.988 10.254 0.389 67 HH11 ARG 9 HH11 ARG 9 4.277 12.088 3.094 68 HH12 ARG 9 HH12 ARG 9 5.884 12.207 2.406 69 HH21 ARG 9 HH21 ARG 9 5.073 10.411 -0.497 70 HH22 ARG 9 HH22 ARG 9 6.334 11.259 0.376 71 H ARG 10 H ARG 10 -1.238 12.230 -1.270 72 HA ARG 10 HA ARG 10 -1.882 14.892 -1.941 73 HB2 ARG 10 HB2 ARG 10 -2.834 12.214 -2.935 74 HB3 ARG 10 HB3 ARG 10 -3.462 13.738 -3.608 75 HG2 ARG 10 HG2 ARG 10 -0.922 14.322 -3.901 76 HG3 ARG 10 HG3 ARG 10 -0.701 12.560 -3.784 77 HD2 ARG 10 HD2 ARG 10 -2.387 12.296 -5.628 78 HD3 ARG 10 HD3 ARG 10 -2.401 14.067 -5.802 79 HE ARG 10 HE ARG 10 -0.353 12.216 -6.721 80 HH11 ARG 10 HH11 ARG 10 -1.076 15.517 -5.758 81 HH12 ARG 10 HH12 ARG 10 0.255 16.203 -6.669 82 HH21 ARG 10 HH21 ARG 10 1.370 13.112 -7.898 83 HH22 ARG 10 HH22 ARG 10 1.637 14.845 -7.878 84 H ASN 11 H ASN 11 -4.205 12.291 -1.044 85 HA ASN 11 HA ASN 11 -6.417 14.110 -0.814 86 HB2 ASN 11 HB2 ASN 11 -7.439 12.171 0.474 87 HB3 ASN 11 HB3 ASN 11 -6.908 11.815 -1.187 88 HD21 ASN 11 HD22 ASN 11 -5.683 10.070 -1.494 89 HD22 ASN 11 HD21 ASN 11 -4.785 9.228 -0.247 90 H ARG 12 H ARG 12 -4.044 12.860 1.520 91 HA ARG 12 HA ARG 12 -5.298 13.769 3.890 92 HB2 ARG 12 HB2 ARG 12 -2.472 13.258 3.034 93 HB3 ARG 12 HB3 ARG 12 -2.790 14.046 4.597 94 HG2 ARG 12 HG2 ARG 12 -3.986 12.161 5.415 95 HG3 ARG 12 HG3 ARG 12 -4.076 11.426 3.797 96 HD2 ARG 12 HD2 ARG 12 -2.379 10.202 4.877 97 HD3 ARG 12 HD3 ARG 12 -1.493 11.387 3.888 98 HE ARG 12 HE ARG 12 -2.011 12.311 6.591 99 HH11 ARG 12 HH11 ARG 12 0.113 10.406 4.541 100 HH12 ARG 12 HH12 ARG 12 1.497 10.587 5.600 101 HH21 ARG 12 HH21 ARG 12 -0.212 12.541 7.957 102 HH22 ARG 12 HH22 ARG 12 1.314 11.793 7.530 103 H ARG 13 H ARG 13 -3.244 15.501 1.555 104 HA ARG 13 HA ARG 13 -3.092 17.914 3.148 105 HB2 ARG 13 HB2 ARG 13 -2.646 17.319 0.220 106 HB3 ARG 13 HB3 ARG 13 -2.398 18.921 0.953 107 HG2 ARG 13 HG2 ARG 13 -0.533 18.241 2.145 108 HG3 ARG 13 HG3 ARG 13 -1.026 16.531 2.141 109 HD2 ARG 13 HD2 ARG 13 0.945 17.021 0.667 110 HD3 ARG 13 HD3 ARG 13 -0.439 16.302 -0.191 111 HE ARG 13 HE ARG 13 -0.646 18.232 -1.436 112 HH11 ARG 13 HH11 ARG 13 1.382 18.834 1.369 113 HH12 ARG 13 HH12 ARG 13 1.852 20.437 0.836 114 HH21 ARG 13 HH21 ARG 13 -0.033 20.309 -2.120 115 HH22 ARG 13 HH22 ARG 13 1.053 21.270 -1.135 116 H ARG 14 H ARG 14 -5.413 16.604 0.862 117 HA ARG 14 HA ARG 14 -6.763 19.129 0.380 118 HB2 ARG 14 HB2 ARG 14 -6.783 17.027 -1.058 119 HB3 ARG 14 HB3 ARG 14 -7.915 16.352 0.138 120 HG2 ARG 14 HG2 ARG 14 -9.622 17.792 -0.455 121 HG3 ARG 14 HG3 ARG 14 -8.504 19.031 -1.073 122 HD2 ARG 14 HD2 ARG 14 -7.935 17.153 -2.855 123 HD3 ARG 14 HD3 ARG 14 -9.548 16.550 -2.408 124 HE ARG 14 HE ARG 14 -9.824 19.293 -2.914 125 HH11 ARG 14 HH11 ARG 14 -8.880 16.382 -4.642 126 HH12 ARG 14 HH12 ARG 14 -9.449 16.971 -6.192 127 HH21 ARG 14 HH21 ARG 14 -10.559 20.048 -4.927 128 HH22 ARG 14 HH22 ARG 14 -10.397 19.042 -6.353 129 H ARG 15 H ARG 15 -7.078 16.511 2.746 130 HA ARG 15 HA ARG 15 -9.622 17.196 3.790 131 HB2 ARG 15 HB2 ARG 15 -7.148 15.964 4.990 132 HB3 ARG 15 HB3 ARG 15 -8.626 16.236 5.942 133 HG2 ARG 15 HG2 ARG 15 -9.835 14.918 4.093 134 HG3 ARG 15 HG3 ARG 15 -8.212 14.410 3.570 135 HD2 ARG 15 HD2 ARG 15 -7.795 13.255 5.584 136 HD3 ARG 15 HD3 ARG 15 -9.113 14.092 6.439 137 HE ARG 15 HE ARG 15 -10.601 12.522 5.642 138 HH11 ARG 15 HH11 ARG 15 -7.609 12.362 3.810 139 HH12 ARG 15 HH12 ARG 15 -8.070 10.905 2.951 140 HH21 ARG 15 HH21 ARG 15 -11.192 10.634 4.525 141 HH22 ARG 15 HH22 ARG 15 -10.094 9.928 3.355 142 H TRP 16 H TRP 16 -6.373 18.313 4.835 143 HA TRP 16 HA TRP 16 -7.191 19.994 6.927 144 HB2 TRP 16 HB2 TRP 16 -4.822 19.506 6.432 145 HB3 TRP 16 HB3 TRP 16 -4.933 20.443 4.923 146 HD1 TRP 16 HD1 TRP 16 -6.412 21.565 8.166 147 HE1 TRP 16 HE1 TRP 16 -5.161 23.825 8.966 148 HE3 TRP 16 HE3 TRP 16 -2.779 21.698 4.611 149 HZ2 TRP 16 HZ2 TRP 16 -2.987 25.283 8.096 150 HZ3 TRP 16 HZ3 TRP 16 -1.163 23.484 4.600 151 HH2 TRP 16 HH2 TRP 16 -1.212 25.293 6.308 152 H ARG 17 H ARG 17 -7.401 20.516 3.443 153 HA ARG 17 HA ARG 17 -8.108 23.343 3.755 154 HB2 ARG 17 HB2 ARG 17 -6.936 22.176 1.774 155 HB3 ARG 17 HB3 ARG 17 -8.570 21.630 1.325 156 HG2 ARG 17 HG2 ARG 17 -8.036 24.544 1.851 157 HG3 ARG 17 HG3 ARG 17 -7.589 23.827 0.285 158 HD2 ARG 17 HD2 ARG 17 -10.014 22.909 0.253 159 HD3 ARG 17 HD3 ARG 17 -10.329 24.106 1.532 160 HE ARG 17 HE ARG 17 -9.029 25.310 -0.734 161 HH11 ARG 17 HH11 ARG 17 -12.110 24.101 0.446 162 HH12 ARG 17 HH12 ARG 17 -13.057 25.157 -0.583 163 HH21 ARG 17 HH21 ARG 17 -10.263 26.675 -2.066 164 HH22 ARG 17 HH22 ARG 17 -12.014 26.611 -2.003 165 H GLU 18 H GLU 18 -9.866 20.397 2.667 166 HA GLU 18 HA GLU 18 -12.411 21.596 2.465 167 HB2 GLU 18 HB2 GLU 18 -11.731 18.785 3.354 168 HB3 GLU 18 HB3 GLU 18 -13.301 19.348 2.732 169 HG2 GLU 18 HG2 GLU 18 -10.785 19.611 1.101 170 HG3 GLU 18 HG3 GLU 18 -11.691 18.080 1.142 171 H ARG 19 H ARG 19 -10.642 20.491 5.310 172 HA ARG 19 HA ARG 19 -12.949 20.658 7.078 173 HB2 ARG 19 HB2 ARG 19 -9.967 20.448 7.476 174 HB3 ARG 19 HB3 ARG 19 -11.103 20.634 8.834 175 HG2 ARG 19 HG2 ARG 19 -12.226 18.562 8.218 176 HG3 ARG 19 HG3 ARG 19 -11.174 18.390 6.793 177 HD2 ARG 19 HD2 ARG 19 -9.236 18.046 8.162 178 HD3 ARG 19 HD3 ARG 19 -10.120 18.508 9.636 179 HE ARG 19 HE ARG 19 -11.423 16.283 8.465 180 HH11 ARG 19 HH11 ARG 19 -8.408 17.129 10.055 181 HH12 ARG 19 HH12 ARG 19 -8.162 15.523 10.714 182 HH21 ARG 19 HH21 ARG 19 -11.101 14.204 9.324 183 HH22 ARG 19 HH22 ARG 19 -9.684 13.870 10.301 184 H GLN 20 H GLN 20 -10.527 22.894 5.884 185 HA GLN 20 HA GLN 20 -10.705 24.879 7.904 186 HB2 GLN 20 HB2 GLN 20 -9.275 24.586 5.658 187 HB3 GLN 20 HB3 GLN 20 -10.516 25.712 5.060 188 HG2 GLN 20 HG2 GLN 20 -9.129 27.318 5.841 189 HG3 GLN 20 HG3 GLN 20 -9.817 26.892 7.426 190 HE21 GLN 20 HE22 GLN 20 -8.673 24.887 8.455 191 HE22 GLN 20 HE21 GLN 20 -6.921 24.956 8.436 192 H ARG 21 H ARG 21 -12.950 23.976 5.372 193 HA ARG 21 HA ARG 21 -14.459 26.320 5.100 194 HB2 ARG 21 HB2 ARG 21 -14.850 23.448 4.743 195 HB3 ARG 21 HB3 ARG 21 -16.343 24.300 5.205 196 HG2 ARG 21 HG2 ARG 21 -14.665 25.495 3.043 197 HG3 ARG 21 HG3 ARG 21 -15.580 24.019 2.656 198 HD2 ARG 21 HD2 ARG 21 -17.631 25.183 3.599 199 HD3 ARG 21 HD3 ARG 21 -16.662 26.675 3.646 200 HE ARG 21 HE ARG 21 -16.547 25.501 1.042 201 HH11 ARG 21 HH11 ARG 21 -18.680 27.258 3.211 202 HH12 ARG 21 HH12 ARG 21 -19.594 27.996 1.910 203 HH21 ARG 21 HH21 ARG 21 -17.736 26.463 -0.639 204 HH22 ARG 21 HH22 ARG 21 -19.061 27.547 -0.264 205 H ALA 22 H ALA 22 -14.435 23.984 7.766 206 HA ALA 22 HA ALA 22 -16.764 24.850 9.090 207 HB1 ALA 22 HB1 ALA 22 -14.156 23.862 10.297 208 HB2 ALA 22 HB2 ALA 22 -15.737 23.908 11.113 209 HB3 ALA 22 HB3 ALA 22 -15.489 22.837 9.713 210 H ALA 23 H ALA 23 -13.423 26.108 9.316 211 HA ALA 23 HA ALA 23 -14.293 28.196 11.179 212 HB1 ALA 23 HB1 ALA 23 -11.632 27.736 9.787 213 HB2 ALA 23 HB2 ALA 23 -11.940 28.898 11.099 214 HB3 ALA 23 HB3 ALA 23 -12.075 27.150 11.407 215 H ALA 24 H ALA 24 -12.892 28.134 7.866 216 HA ALA 24 HA ALA 24 -13.084 30.858 7.323 217 HB1 ALA 24 HB1 ALA 24 -13.590 28.552 5.410 218 HB2 ALA 24 HB2 ALA 24 -13.172 30.220 4.952 219 HB3 ALA 24 HB3 ALA 24 -11.997 29.220 5.839 220 H ALA 25 H ALA 25 -15.627 28.371 6.935 221 HA ALA 25 HA ALA 25 -17.556 30.576 6.405 222 HB1 ALA 25 HB1 ALA 25 -17.820 27.576 5.994 223 HB2 ALA 25 HB2 ALA 25 -19.036 28.803 5.566 224 HB3 ALA 25 HB3 ALA 25 -17.466 28.774 4.727 225 H ARG 26 H ARG 26 -18.925 31.223 7.902 226 HA ARG 26 HA ARG 26 -19.413 29.395 10.228 227 HB2 ARG 26 HB2 ARG 26 -19.002 32.352 9.981 228 HB3 ARG 26 HB3 ARG 26 -20.039 31.710 11.277 229 HG2 ARG 26 HG2 ARG 26 -18.214 30.407 12.171 230 HG3 ARG 26 HG3 ARG 26 -17.172 30.845 10.796 231 HD2 ARG 26 HD2 ARG 26 -17.498 33.280 11.532 232 HD3 ARG 26 HD3 ARG 26 -18.169 32.618 13.041 233 HE ARG 26 HE ARG 26 -15.595 31.476 12.407 234 HH11 ARG 26 HH11 ARG 26 -17.215 34.288 13.753 235 HH12 ARG 26 HH12 ARG 26 -15.853 34.743 14.759 236 HH21 ARG 26 HH21 ARG 26 -13.835 32.072 13.712 237 HH22 ARG 26 HH22 ARG 26 -13.943 33.491 14.736 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 3.706 0.930 1.005 2 H2 GLY 1 H2 GLY 1 4.036 -0.598 0.503 3 H3 GLY 1 H3 GLY 1 2.418 -0.085 0.927 4 HA2 GLY 1 HA2 GLY 1 3.661 -0.187 -1.487 5 HA3 GLY 1 HA3 GLY 1 2.015 0.335 -1.055 6 H ALA 2 H ALA 2 5.068 1.296 -2.220 7 HA ALA 2 HA ALA 2 5.251 3.969 -1.372 8 HB1 ALA 2 HB1 ALA 2 5.976 2.798 -4.081 9 HB2 ALA 2 HB2 ALA 2 6.571 4.335 -3.411 10 HB3 ALA 2 HB3 ALA 2 7.011 2.796 -2.634 11 H MET 3 H MET 3 3.126 2.500 -3.769 12 HA MET 3 HA MET 3 2.284 5.023 -4.936 13 HB2 MET 3 HB2 MET 3 1.158 2.222 -4.937 14 HB3 MET 3 HB3 MET 3 0.383 3.587 -5.776 15 HG2 MET 3 HG2 MET 3 3.270 3.000 -6.314 16 HG3 MET 3 HG3 MET 3 2.033 1.944 -7.037 17 HE1 MET 3 HE1 MET 3 1.537 2.323 -9.428 18 HE2 MET 3 HE2 MET 3 2.119 3.758 -10.305 19 HE3 MET 3 HE3 MET 3 3.264 2.751 -9.387 20 H ALA 4 H ALA 4 0.868 2.797 -2.508 21 HA ALA 4 HA ALA 4 -1.480 4.314 -2.064 22 HB1 ALA 4 HB1 ALA 4 0.054 2.548 -0.124 23 HB2 ALA 4 HB2 ALA 4 -1.637 3.074 0.051 24 HB3 ALA 4 HB3 ALA 4 -1.175 1.996 -1.288 25 H THR 5 H THR 5 1.805 4.739 -0.884 26 HA THR 5 HA THR 5 1.032 6.677 1.175 27 HB THR 5 HB THR 5 3.752 6.076 -0.055 28 HG1 THR 5 HG1 THR 5 4.008 4.805 1.862 29 HG21 THR 5 HG21 THR 5 2.964 7.466 2.538 30 HG22 THR 5 HG22 THR 5 4.627 7.109 2.013 31 HG23 THR 5 HG23 THR 5 3.632 8.262 1.093 32 H ARG 6 H ARG 6 2.178 6.796 -2.177 33 HA ARG 6 HA ARG 6 2.799 9.536 -2.328 34 HB2 ARG 6 HB2 ARG 6 2.836 7.526 -4.065 35 HB3 ARG 6 HB3 ARG 6 1.286 8.253 -4.551 36 HG2 ARG 6 HG2 ARG 6 2.277 10.215 -5.286 37 HG3 ARG 6 HG3 ARG 6 3.710 9.999 -4.253 38 HD2 ARG 6 HD2 ARG 6 4.635 9.456 -6.287 39 HD3 ARG 6 HD3 ARG 6 4.042 7.850 -5.799 40 HE ARG 6 HE ARG 6 1.948 9.047 -7.198 41 HH11 ARG 6 HH11 ARG 6 5.284 8.130 -7.811 42 HH12 ARG 6 HH12 ARG 6 5.016 7.831 -9.517 43 HH21 ARG 6 HH21 ARG 6 1.609 8.656 -9.410 44 HH22 ARG 6 HH22 ARG 6 2.940 8.128 -10.421 45 H GLN 7 H GLN 7 -0.353 8.049 -3.229 46 HA GLN 7 HA GLN 7 -1.729 10.510 -3.517 47 HB2 GLN 7 HB2 GLN 7 -2.392 8.100 -4.163 48 HB3 GLN 7 HB3 GLN 7 -3.009 7.988 -2.497 49 HG2 GLN 7 HG2 GLN 7 -4.914 8.639 -3.652 50 HG3 GLN 7 HG3 GLN 7 -4.266 10.205 -3.109 51 HE21 GLN 7 HE22 GLN 7 -3.622 11.714 -4.586 52 HE22 GLN 7 HE21 GLN 7 -3.737 11.486 -6.320 53 H ALA 8 H ALA 8 -0.859 8.699 -0.645 54 HA ALA 8 HA ALA 8 -2.740 9.899 1.130 55 HB1 ALA 8 HB1 ALA 8 0.051 8.838 1.691 56 HB2 ALA 8 HB2 ALA 8 -1.215 9.149 2.903 57 HB3 ALA 8 HB3 ALA 8 -1.446 7.877 1.680 58 H ARG 9 H ARG 9 0.562 10.861 0.161 59 HA ARG 9 HA ARG 9 0.947 12.997 1.933 60 HB2 ARG 9 HB2 ARG 9 1.809 12.388 -0.864 61 HB3 ARG 9 HB3 ARG 9 2.109 14.015 -0.206 62 HG2 ARG 9 HG2 ARG 9 2.969 11.475 1.201 63 HG3 ARG 9 HG3 ARG 9 4.004 12.330 0.032 64 HD2 ARG 9 HD2 ARG 9 2.835 13.541 2.565 65 HD3 ARG 9 HD3 ARG 9 4.509 12.965 2.379 66 HE ARG 9 HE ARG 9 3.413 15.478 1.470 67 HH11 ARG 9 HH11 ARG 9 5.811 12.998 0.809 68 HH12 ARG 9 HH12 ARG 9 6.887 14.092 -0.039 69 HH21 ARG 9 HH21 ARG 9 4.811 16.890 0.369 70 HH22 ARG 9 HH22 ARG 9 6.322 16.292 -0.288 71 H ARG 10 H ARG 10 -0.327 13.334 -1.417 72 HA ARG 10 HA ARG 10 -1.116 16.026 -1.168 73 HB2 ARG 10 HB2 ARG 10 -1.001 14.642 -3.253 74 HB3 ARG 10 HB3 ARG 10 -2.527 13.874 -2.754 75 HG2 ARG 10 HG2 ARG 10 -3.662 16.040 -2.827 76 HG3 ARG 10 HG3 ARG 10 -2.135 16.840 -3.270 77 HD2 ARG 10 HD2 ARG 10 -2.186 15.038 -5.234 78 HD3 ARG 10 HD3 ARG 10 -3.935 15.093 -4.912 79 HE ARG 10 HE ARG 10 -3.074 17.750 -5.114 80 HH11 ARG 10 HH11 ARG 10 -3.203 14.876 -7.129 81 HH12 ARG 10 HH12 ARG 10 -3.371 15.781 -8.621 82 HH21 ARG 10 HH21 ARG 10 -3.291 18.916 -7.051 83 HH22 ARG 10 HH22 ARG 10 -3.421 18.063 -8.577 84 H ASN 11 H ASN 11 -2.923 13.052 -0.364 85 HA ASN 11 HA ASN 11 -5.398 14.323 0.246 86 HB2 ASN 11 HB2 ASN 11 -4.065 11.748 1.073 87 HB3 ASN 11 HB3 ASN 11 -5.597 12.254 1.824 88 HD21 ASN 11 HD22 ASN 11 -4.737 10.025 -0.115 89 HD22 ASN 11 HD21 ASN 11 -5.918 10.129 -1.406 90 H ARG 12 H ARG 12 -2.463 13.833 2.181 91 HA ARG 12 HA ARG 12 -3.477 14.484 4.723 92 HB2 ARG 12 HB2 ARG 12 -1.113 13.757 3.920 93 HB3 ARG 12 HB3 ARG 12 -0.827 15.505 3.751 94 HG2 ARG 12 HG2 ARG 12 -0.015 14.947 5.899 95 HG3 ARG 12 HG3 ARG 12 -1.595 15.718 6.173 96 HD2 ARG 12 HD2 ARG 12 -2.598 13.389 6.232 97 HD3 ARG 12 HD3 ARG 12 -0.934 12.756 6.241 98 HE ARG 12 HE ARG 12 -0.988 14.563 8.325 99 HH11 ARG 12 HH11 ARG 12 -2.865 11.741 7.401 100 HH12 ARG 12 HH12 ARG 12 -3.238 11.296 9.055 101 HH21 ARG 12 HH21 ARG 12 -1.475 13.980 10.466 102 HH22 ARG 12 HH22 ARG 12 -2.452 12.561 10.787 103 H ARG 13 H ARG 13 -2.007 16.747 2.344 104 HA ARG 13 HA ARG 13 -2.824 19.063 3.897 105 HB2 ARG 13 HB2 ARG 13 -2.051 20.324 1.948 106 HB3 ARG 13 HB3 ARG 13 -0.849 19.142 2.518 107 HG2 ARG 13 HG2 ARG 13 -1.438 17.622 0.709 108 HG3 ARG 13 HG3 ARG 13 -2.722 18.728 0.167 109 HD2 ARG 13 HD2 ARG 13 0.118 19.708 0.371 110 HD3 ARG 13 HD3 ARG 13 -0.384 18.742 -1.036 111 HE ARG 13 HE ARG 13 -1.028 21.502 -0.496 112 HH11 ARG 13 HH11 ARG 13 -2.206 18.539 -1.973 113 HH12 ARG 13 HH12 ARG 13 -3.238 19.376 -3.117 114 HH21 ARG 13 HH21 ARG 13 -2.367 22.578 -1.982 115 HH22 ARG 13 HH22 ARG 13 -3.329 21.657 -3.122 116 H ARG 14 H ARG 14 -4.187 17.212 1.217 117 HA ARG 14 HA ARG 14 -6.120 19.126 0.366 118 HB2 ARG 14 HB2 ARG 14 -5.482 17.051 -0.835 119 HB3 ARG 14 HB3 ARG 14 -6.330 16.109 0.414 120 HG2 ARG 14 HG2 ARG 14 -8.442 16.910 -0.248 121 HG3 ARG 14 HG3 ARG 14 -7.737 18.259 -1.170 122 HD2 ARG 14 HD2 ARG 14 -6.994 16.821 -2.908 123 HD3 ARG 14 HD3 ARG 14 -7.254 15.364 -1.919 124 HE ARG 14 HE ARG 14 -9.684 16.878 -2.408 125 HH11 ARG 14 HH11 ARG 14 -7.478 14.448 -3.658 126 HH12 ARG 14 HH12 ARG 14 -8.692 13.692 -4.672 127 HH21 ARG 14 HH21 ARG 14 -11.252 15.893 -3.725 128 HH22 ARG 14 HH22 ARG 14 -10.823 14.508 -4.709 129 H ARG 15 H ARG 15 -6.347 16.506 2.804 130 HA ARG 15 HA ARG 15 -9.058 16.942 3.502 131 HB2 ARG 15 HB2 ARG 15 -6.696 15.967 5.115 132 HB3 ARG 15 HB3 ARG 15 -8.376 15.949 5.701 133 HG2 ARG 15 HG2 ARG 15 -7.515 14.577 3.145 134 HG3 ARG 15 HG3 ARG 15 -7.473 13.767 4.729 135 HD2 ARG 15 HD2 ARG 15 -9.984 15.128 3.747 136 HD3 ARG 15 HD3 ARG 15 -9.581 13.474 3.229 137 HE ARG 15 HE ARG 15 -9.352 13.377 5.966 138 HH11 ARG 15 HH11 ARG 15 -11.855 14.393 3.719 139 HH12 ARG 15 HH12 ARG 15 -13.168 13.957 4.795 140 HH21 ARG 15 HH21 ARG 15 -11.060 12.816 7.356 141 HH22 ARG 15 HH22 ARG 15 -12.719 13.066 6.850 142 H TRP 16 H TRP 16 -6.135 18.684 4.417 143 HA TRP 16 HA TRP 16 -7.198 20.085 6.662 144 HB2 TRP 16 HB2 TRP 16 -4.752 19.959 5.863 145 HB3 TRP 16 HB3 TRP 16 -5.186 21.228 4.692 146 HD1 TRP 16 HD1 TRP 16 -6.531 21.159 8.169 147 HE1 TRP 16 HE1 TRP 16 -5.595 23.308 9.518 148 HE3 TRP 16 HE3 TRP 16 -3.254 22.860 4.672 149 HZ2 TRP 16 HZ2 TRP 16 -3.749 25.296 9.016 150 HZ3 TRP 16 HZ3 TRP 16 -1.942 24.835 5.103 151 HH2 TRP 16 HH2 TRP 16 -2.143 26.087 7.245 152 H ARG 17 H ARG 17 -7.122 20.969 3.187 153 HA ARG 17 HA ARG 17 -8.354 23.499 3.446 154 HB2 ARG 17 HB2 ARG 17 -7.318 22.192 1.411 155 HB3 ARG 17 HB3 ARG 17 -9.005 21.687 1.159 156 HG2 ARG 17 HG2 ARG 17 -8.298 24.596 1.510 157 HG3 ARG 17 HG3 ARG 17 -8.111 23.803 -0.072 158 HD2 ARG 17 HD2 ARG 17 -10.527 23.051 0.146 159 HD3 ARG 17 HD3 ARG 17 -10.651 24.126 1.559 160 HE ARG 17 HE ARG 17 -10.814 25.921 0.133 161 HH11 ARG 17 HH11 ARG 17 -9.415 23.192 -1.582 162 HH12 ARG 17 HH12 ARG 17 -9.433 24.002 -3.136 163 HH21 ARG 17 HH21 ARG 17 -10.831 26.966 -1.882 164 HH22 ARG 17 HH22 ARG 17 -10.234 26.136 -3.306 165 H GLU 18 H GLU 18 -9.890 20.306 2.857 166 HA GLU 18 HA GLU 18 -12.567 21.341 2.918 167 HB2 GLU 18 HB2 GLU 18 -11.686 18.555 3.672 168 HB3 GLU 18 HB3 GLU 18 -13.259 19.076 3.022 169 HG2 GLU 18 HG2 GLU 18 -11.795 19.877 0.989 170 HG3 GLU 18 HG3 GLU 18 -10.635 18.686 1.624 171 H ARG 19 H ARG 19 -10.397 20.090 5.437 172 HA ARG 19 HA ARG 19 -12.367 19.960 7.512 173 HB2 ARG 19 HB2 ARG 19 -10.163 18.874 7.601 174 HB3 ARG 19 HB3 ARG 19 -9.390 20.475 7.674 175 HG2 ARG 19 HG2 ARG 19 -9.419 19.797 9.909 176 HG3 ARG 19 HG3 ARG 19 -10.850 20.848 9.777 177 HD2 ARG 19 HD2 ARG 19 -12.212 18.746 9.357 178 HD3 ARG 19 HD3 ARG 19 -10.764 17.815 9.808 179 HE ARG 19 HE ARG 19 -11.153 18.316 12.026 180 HH11 ARG 19 HH11 ARG 19 -13.050 20.443 9.970 181 HH12 ARG 19 HH12 ARG 19 -13.958 21.123 11.306 182 HH21 ARG 19 HH21 ARG 19 -12.336 19.202 13.751 183 HH22 ARG 19 HH22 ARG 19 -13.555 20.423 13.441 184 H GLN 20 H GLN 20 -10.134 22.565 6.496 185 HA GLN 20 HA GLN 20 -11.014 24.381 8.571 186 HB2 GLN 20 HB2 GLN 20 -8.879 24.293 6.968 187 HB3 GLN 20 HB3 GLN 20 -9.905 25.373 5.994 188 HG2 GLN 20 HG2 GLN 20 -8.582 26.801 7.351 189 HG3 GLN 20 HG3 GLN 20 -10.195 26.775 8.102 190 HE21 GLN 20 HE22 GLN 20 -6.931 25.331 8.269 191 HE22 GLN 20 HE21 GLN 20 -6.963 25.032 9.996 192 H ARG 21 H ARG 21 -12.195 23.537 5.385 193 HA ARG 21 HA ARG 21 -13.664 25.824 4.709 194 HB2 ARG 21 HB2 ARG 21 -13.355 23.501 3.547 195 HB3 ARG 21 HB3 ARG 21 -14.852 23.089 4.416 196 HG2 ARG 21 HG2 ARG 21 -14.775 25.627 2.832 197 HG3 ARG 21 HG3 ARG 21 -14.890 24.087 1.948 198 HD2 ARG 21 HD2 ARG 21 -16.805 23.562 3.664 199 HD3 ARG 21 HD3 ARG 21 -16.834 25.327 3.888 200 HE ARG 21 HE ARG 21 -16.945 24.491 1.102 201 HH11 ARG 21 HH11 ARG 21 -18.780 25.152 4.024 202 HH12 ARG 21 HH12 ARG 21 -20.267 25.488 3.159 203 HH21 ARG 21 HH21 ARG 21 -18.875 24.930 -0.011 204 HH22 ARG 21 HH22 ARG 21 -20.321 25.363 0.881 205 H ALA 22 H ALA 22 -14.330 23.417 7.198 206 HA ALA 22 HA ALA 22 -17.053 24.127 7.647 207 HB1 ALA 22 HB1 ALA 22 -14.991 23.031 9.591 208 HB2 ALA 22 HB2 ALA 22 -16.756 23.019 9.819 209 HB3 ALA 22 HB3 ALA 22 -16.022 22.064 8.510 210 H ALA 23 H ALA 23 -14.010 25.395 9.013 211 HA ALA 23 HA ALA 23 -15.485 27.289 10.692 212 HB1 ALA 23 HB1 ALA 23 -12.514 27.015 10.117 213 HB2 ALA 23 HB2 ALA 23 -13.248 28.045 11.369 214 HB3 ALA 23 HB3 ALA 23 -13.384 26.274 11.481 215 H ALA 24 H ALA 24 -13.208 27.539 7.921 216 HA ALA 24 HA ALA 24 -13.454 30.332 7.596 217 HB1 ALA 24 HB1 ALA 24 -12.952 28.207 5.483 218 HB2 ALA 24 HB2 ALA 24 -12.607 29.945 5.323 219 HB3 ALA 24 HB3 ALA 24 -11.715 28.967 6.511 220 H ALA 25 H ALA 25 -15.414 27.677 6.240 221 HA ALA 25 HA ALA 25 -17.301 29.758 5.228 222 HB1 ALA 25 HB1 ALA 25 -16.915 26.882 4.326 223 HB2 ALA 25 HB2 ALA 25 -18.082 28.045 3.651 224 HB3 ALA 25 HB3 ALA 25 -16.335 28.331 3.469 225 H ARG 26 H ARG 26 -19.153 30.000 6.246 226 HA ARG 26 HA ARG 26 -20.031 27.850 8.109 227 HB2 ARG 26 HB2 ARG 26 -20.807 30.753 7.775 228 HB3 ARG 26 HB3 ARG 26 -21.593 29.627 8.908 229 HG2 ARG 26 HG2 ARG 26 -20.069 30.682 10.293 230 HG3 ARG 26 HG3 ARG 26 -19.156 29.242 9.783 231 HD2 ARG 26 HD2 ARG 26 -17.807 30.465 8.304 232 HD3 ARG 26 HD3 ARG 26 -18.954 31.824 8.233 233 HE ARG 26 HE ARG 26 -16.831 31.416 10.162 234 HH11 ARG 26 HH11 ARG 26 -19.990 32.857 9.615 235 HH12 ARG 26 HH12 ARG 26 -19.775 34.087 10.845 236 HH21 ARG 26 HH21 ARG 26 -16.563 33.012 11.756 237 HH22 ARG 26 HH22 ARG 26 -17.840 34.175 12.054 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -1.487 0.863 -1.488 2 H2 GLY 1 H2 GLY 1 -2.890 0.587 -0.681 3 H3 GLY 1 H3 GLY 1 -1.774 -0.700 -1.077 4 HA2 GLY 1 HA2 GLY 1 -2.029 0.779 1.187 5 HA3 GLY 1 HA3 GLY 1 -0.894 -0.531 0.784 6 H ALA 2 H ALA 2 1.127 -0.004 -0.239 7 HA ALA 2 HA ALA 2 2.343 2.341 0.834 8 HB1 ALA 2 HB1 ALA 2 3.290 0.518 -1.405 9 HB2 ALA 2 HB2 ALA 2 4.295 1.674 -0.499 10 HB3 ALA 2 HB3 ALA 2 3.581 0.272 0.333 11 H MET 3 H MET 3 1.164 1.565 -2.449 12 HA MET 3 HA MET 3 2.050 4.052 -3.608 13 HB2 MET 3 HB2 MET 3 0.061 1.925 -4.365 14 HB3 MET 3 HB3 MET 3 0.215 3.427 -5.307 15 HG2 MET 3 HG2 MET 3 2.504 1.529 -4.724 16 HG3 MET 3 HG3 MET 3 1.523 1.482 -6.208 17 HE1 MET 3 HE1 MET 3 4.850 2.120 -5.393 18 HE2 MET 3 HE2 MET 3 5.246 3.844 -5.582 19 HE3 MET 3 HE3 MET 3 4.301 3.297 -4.177 20 H ALA 4 H ALA 4 -0.790 3.101 -1.773 21 HA ALA 4 HA ALA 4 -2.332 5.438 -2.523 22 HB1 ALA 4 HB1 ALA 4 -2.634 3.529 -0.179 23 HB2 ALA 4 HB2 ALA 4 -3.843 4.714 -0.727 24 HB3 ALA 4 HB3 ALA 4 -3.397 3.347 -1.776 25 H THR 5 H THR 5 -0.635 4.487 0.505 26 HA THR 5 HA THR 5 -1.035 6.962 1.852 27 HB THR 5 HB THR 5 1.214 6.241 3.000 28 HG1 THR 5 HG1 THR 5 1.620 3.986 2.668 29 HG21 THR 5 HG21 THR 5 -1.249 4.451 3.090 30 HG22 THR 5 HG22 THR 5 0.011 4.551 4.343 31 HG23 THR 5 HG23 THR 5 -1.025 5.959 4.008 32 H ARG 6 H ARG 6 1.581 5.931 -0.339 33 HA ARG 6 HA ARG 6 3.279 8.149 -0.012 34 HB2 ARG 6 HB2 ARG 6 3.515 5.991 -1.424 35 HB3 ARG 6 HB3 ARG 6 2.705 6.932 -2.699 36 HG2 ARG 6 HG2 ARG 6 4.538 8.708 -2.233 37 HG3 ARG 6 HG3 ARG 6 5.402 7.379 -1.424 38 HD2 ARG 6 HD2 ARG 6 5.502 6.096 -3.436 39 HD3 ARG 6 HD3 ARG 6 4.341 7.165 -4.257 40 HE ARG 6 HE ARG 6 6.644 8.654 -3.456 41 HH11 ARG 6 HH11 ARG 6 5.571 6.239 -5.770 42 HH12 ARG 6 HH12 ARG 6 6.747 6.705 -6.984 43 HH21 ARG 6 HH21 ARG 6 8.161 9.254 -5.035 44 HH22 ARG 6 HH22 ARG 6 8.210 8.407 -6.570 45 H GLN 7 H GLN 7 0.773 7.780 -2.569 46 HA GLN 7 HA GLN 7 0.963 10.462 -3.489 47 HB2 GLN 7 HB2 GLN 7 -0.160 8.467 -4.583 48 HB3 GLN 7 HB3 GLN 7 -1.527 8.756 -3.481 49 HG2 GLN 7 HG2 GLN 7 -2.244 9.938 -5.322 50 HG3 GLN 7 HG3 GLN 7 -1.356 11.214 -4.455 51 HE21 GLN 7 HE22 GLN 7 -1.420 12.132 -6.715 52 HE22 GLN 7 HE21 GLN 7 -0.094 11.708 -7.780 53 H ALA 8 H ALA 8 -0.721 9.073 -0.735 54 HA ALA 8 HA ALA 8 -2.487 11.284 -0.291 55 HB1 ALA 8 HB1 ALA 8 -1.350 9.267 1.676 56 HB2 ALA 8 HB2 ALA 8 -2.752 10.327 1.955 57 HB3 ALA 8 HB3 ALA 8 -2.829 9.060 0.709 58 H ARG 9 H ARG 9 0.903 10.769 0.385 59 HA ARG 9 HA ARG 9 1.336 12.556 2.503 60 HB2 ARG 9 HB2 ARG 9 2.932 11.025 1.083 61 HB3 ARG 9 HB3 ARG 9 3.180 12.517 0.146 62 HG2 ARG 9 HG2 ARG 9 4.919 12.539 1.721 63 HG3 ARG 9 HG3 ARG 9 3.693 13.633 2.404 64 HD2 ARG 9 HD2 ARG 9 2.921 11.924 3.925 65 HD3 ARG 9 HD3 ARG 9 3.952 10.699 3.146 66 HE ARG 9 HE ARG 9 5.622 12.783 4.057 67 HH11 ARG 9 HH11 ARG 9 3.490 10.301 5.337 68 HH12 ARG 9 HH12 ARG 9 4.386 10.133 6.834 69 HH21 ARG 9 HH21 ARG 9 6.777 12.560 5.999 70 HH22 ARG 9 HH22 ARG 9 6.243 11.409 7.208 71 H ARG 10 H ARG 10 0.979 13.271 -0.977 72 HA ARG 10 HA ARG 10 1.319 16.154 -0.471 73 HB2 ARG 10 HB2 ARG 10 0.886 16.341 -2.884 74 HB3 ARG 10 HB3 ARG 10 2.237 15.251 -2.491 75 HG2 ARG 10 HG2 ARG 10 1.030 13.336 -3.076 76 HG3 ARG 10 HG3 ARG 10 -0.538 14.167 -2.936 77 HD2 ARG 10 HD2 ARG 10 -0.120 13.861 -5.276 78 HD3 ARG 10 HD3 ARG 10 0.154 15.583 -4.920 79 HE ARG 10 HE ARG 10 2.612 14.155 -4.700 80 HH11 ARG 10 HH11 ARG 10 0.277 15.278 -7.072 81 HH12 ARG 10 HH12 ARG 10 1.463 15.414 -8.355 82 HH21 ARG 10 HH21 ARG 10 4.144 14.338 -6.365 83 HH22 ARG 10 HH22 ARG 10 3.648 14.884 -7.956 84 H ASN 11 H ASN 11 -1.278 13.823 -0.857 85 HA ASN 11 HA ASN 11 -3.374 15.646 -1.503 86 HB2 ASN 11 HB2 ASN 11 -3.423 13.042 0.061 87 HB3 ASN 11 HB3 ASN 11 -4.858 13.891 -0.562 88 HD21 ASN 11 HD22 ASN 11 -4.773 11.432 -1.400 89 HD22 ASN 11 HD21 ASN 11 -4.173 11.288 -3.041 90 H ARG 12 H ARG 12 -1.709 14.975 1.506 91 HA ARG 12 HA ARG 12 -3.590 15.847 3.389 92 HB2 ARG 12 HB2 ARG 12 -1.795 16.249 4.831 93 HB3 ARG 12 HB3 ARG 12 -1.267 14.924 3.766 94 HG2 ARG 12 HG2 ARG 12 -0.072 16.644 2.369 95 HG3 ARG 12 HG3 ARG 12 -0.460 17.843 3.625 96 HD2 ARG 12 HD2 ARG 12 0.970 15.262 4.288 97 HD3 ARG 12 HD3 ARG 12 1.858 16.696 3.720 98 HE ARG 12 HE ARG 12 0.192 17.508 5.844 99 HH11 ARG 12 HH11 ARG 12 2.949 15.408 5.264 100 HH12 ARG 12 HH12 ARG 12 3.596 15.609 6.880 101 HH21 ARG 12 HH21 ARG 12 1.039 17.764 7.936 102 HH22 ARG 12 HH22 ARG 12 2.518 16.939 8.390 103 H ARG 13 H ARG 13 -1.670 17.755 1.116 104 HA ARG 13 HA ARG 13 -2.299 20.301 2.357 105 HB2 ARG 13 HB2 ARG 13 -1.431 19.653 -0.467 106 HB3 ARG 13 HB3 ARG 13 -1.407 21.254 0.311 107 HG2 ARG 13 HG2 ARG 13 0.134 18.915 1.441 108 HG3 ARG 13 HG3 ARG 13 0.811 19.939 0.153 109 HD2 ARG 13 HD2 ARG 13 -0.159 20.902 2.869 110 HD3 ARG 13 HD3 ARG 13 1.541 20.695 2.385 111 HE ARG 13 HE ARG 13 -0.250 22.882 1.673 112 HH11 ARG 13 HH11 ARG 13 2.662 21.095 0.853 113 HH12 ARG 13 HH12 ARG 13 3.368 22.422 -0.048 114 HH21 ARG 13 HH21 ARG 13 0.674 24.598 0.506 115 HH22 ARG 13 HH22 ARG 13 2.246 24.401 -0.244 116 H ARG 14 H ARG 14 -3.758 18.310 -0.195 117 HA ARG 14 HA ARG 14 -5.644 20.355 -1.014 118 HB2 ARG 14 HB2 ARG 14 -5.894 17.365 -1.328 119 HB3 ARG 14 HB3 ARG 14 -6.654 18.641 -2.308 120 HG2 ARG 14 HG2 ARG 14 -3.667 18.134 -2.154 121 HG3 ARG 14 HG3 ARG 14 -4.730 17.497 -3.432 122 HD2 ARG 14 HD2 ARG 14 -5.367 19.815 -4.033 123 HD3 ARG 14 HD3 ARG 14 -4.257 20.430 -2.785 124 HE ARG 14 HE ARG 14 -2.918 18.687 -4.651 125 HH11 ARG 14 HH11 ARG 14 -4.162 21.938 -4.184 126 HH12 ARG 14 HH12 ARG 14 -3.037 22.663 -5.316 127 HH21 ARG 14 HH21 ARG 14 -1.460 19.633 -6.113 128 HH22 ARG 14 HH22 ARG 14 -1.510 21.361 -6.405 129 H ARG 15 H ARG 15 -5.845 17.481 1.116 130 HA ARG 15 HA ARG 15 -8.605 17.743 1.741 131 HB2 ARG 15 HB2 ARG 15 -6.216 16.501 3.045 132 HB3 ARG 15 HB3 ARG 15 -7.733 16.647 3.964 133 HG2 ARG 15 HG2 ARG 15 -8.904 15.243 2.480 134 HG3 ARG 15 HG3 ARG 15 -7.662 15.401 1.215 135 HD2 ARG 15 HD2 ARG 15 -7.245 13.266 2.069 136 HD3 ARG 15 HD3 ARG 15 -6.086 14.277 2.964 137 HE ARG 15 HE ARG 15 -8.263 14.263 4.608 138 HH11 ARG 15 HH11 ARG 15 -6.435 11.739 2.986 139 HH12 ARG 15 HH12 ARG 15 -6.744 10.546 4.232 140 HH21 ARG 15 HH21 ARG 15 -8.658 12.711 6.219 141 HH22 ARG 15 HH22 ARG 15 -7.999 11.095 6.058 142 H TRP 16 H TRP 16 -5.747 19.363 3.062 143 HA TRP 16 HA TRP 16 -6.852 20.453 5.404 144 HB2 TRP 16 HB2 TRP 16 -4.436 20.640 4.283 145 HB3 TRP 16 HB3 TRP 16 -5.093 22.180 3.679 146 HD1 TRP 16 HD1 TRP 16 -4.325 23.965 5.060 147 HE1 TRP 16 HE1 TRP 16 -3.938 24.449 7.693 148 HE3 TRP 16 HE3 TRP 16 -5.629 19.389 6.854 149 HZ2 TRP 16 HZ2 TRP 16 -4.197 22.990 10.021 150 HZ3 TRP 16 HZ3 TRP 16 -5.552 18.950 9.219 151 HH2 TRP 16 HH2 TRP 16 -4.855 20.701 10.845 152 H ARG 17 H ARG 17 -7.411 21.350 2.045 153 HA ARG 17 HA ARG 17 -8.653 23.892 2.631 154 HB2 ARG 17 HB2 ARG 17 -7.691 22.943 0.418 155 HB3 ARG 17 HB3 ARG 17 -9.284 22.167 0.254 156 HG2 ARG 17 HG2 ARG 17 -8.998 25.133 0.749 157 HG3 ARG 17 HG3 ARG 17 -8.924 24.449 -0.892 158 HD2 ARG 17 HD2 ARG 17 -11.155 23.302 -0.331 159 HD3 ARG 17 HD3 ARG 17 -11.231 24.396 1.071 160 HE ARG 17 HE ARG 17 -10.744 25.824 -1.389 161 HH11 ARG 17 HH11 ARG 17 -13.219 24.275 0.565 162 HH12 ARG 17 HH12 ARG 17 -14.515 25.268 -0.072 163 HH21 ARG 17 HH21 ARG 17 -12.429 27.106 -2.210 164 HH22 ARG 17 HH22 ARG 17 -14.069 26.867 -1.640 165 H GLU 18 H GLU 18 -10.121 20.783 1.561 166 HA GLU 18 HA GLU 18 -12.794 21.574 2.086 167 HB2 GLU 18 HB2 GLU 18 -13.328 19.230 1.997 168 HB3 GLU 18 HB3 GLU 18 -12.152 19.640 0.725 169 HG2 GLU 18 HG2 GLU 18 -10.346 18.698 2.046 170 HG3 GLU 18 HG3 GLU 18 -11.469 18.362 3.385 171 H ARG 19 H ARG 19 -10.271 20.420 4.238 172 HA ARG 19 HA ARG 19 -12.051 19.750 6.423 173 HB2 ARG 19 HB2 ARG 19 -9.552 19.112 5.924 174 HB3 ARG 19 HB3 ARG 19 -9.214 20.626 6.796 175 HG2 ARG 19 HG2 ARG 19 -10.782 19.644 8.623 176 HG3 ARG 19 HG3 ARG 19 -10.497 18.090 7.805 177 HD2 ARG 19 HD2 ARG 19 -7.982 18.691 8.004 178 HD3 ARG 19 HD3 ARG 19 -8.514 19.891 9.206 179 HE ARG 19 HE ARG 19 -8.277 17.051 9.582 180 HH11 ARG 19 HH11 ARG 19 -10.182 19.866 10.471 181 HH12 ARG 19 HH12 ARG 19 -10.688 19.189 12.007 182 HH21 ARG 19 HH21 ARG 19 -8.938 16.180 11.573 183 HH22 ARG 19 HH22 ARG 19 -9.985 17.107 12.630 184 H GLN 20 H GLN 20 -10.529 22.708 5.275 185 HA GLN 20 HA GLN 20 -10.828 24.234 7.680 186 HB2 GLN 20 HB2 GLN 20 -9.610 24.667 5.358 187 HB3 GLN 20 HB3 GLN 20 -11.143 25.494 4.997 188 HG2 GLN 20 HG2 GLN 20 -10.772 27.162 6.538 189 HG3 GLN 20 HG3 GLN 20 -9.784 26.118 7.587 190 HE21 GLN 20 HE22 GLN 20 -7.596 25.550 6.813 191 HE22 GLN 20 HE21 GLN 20 -6.717 26.737 5.869 192 H ARG 21 H ARG 21 -13.106 23.250 5.207 193 HA ARG 21 HA ARG 21 -15.109 25.187 5.490 194 HB2 ARG 21 HB2 ARG 21 -14.888 22.941 4.090 195 HB3 ARG 21 HB3 ARG 21 -15.879 22.307 5.425 196 HG2 ARG 21 HG2 ARG 21 -17.309 24.495 4.894 197 HG3 ARG 21 HG3 ARG 21 -16.566 24.285 3.290 198 HD2 ARG 21 HD2 ARG 21 -17.339 21.801 3.536 199 HD3 ARG 21 HD3 ARG 21 -18.432 22.443 4.785 200 HE ARG 21 HE ARG 21 -18.736 22.671 1.937 201 HH11 ARG 21 HH11 ARG 21 -19.260 24.364 4.971 202 HH12 ARG 21 HH12 ARG 21 -20.601 25.309 4.352 203 HH21 ARG 21 HH21 ARG 21 -20.476 23.899 1.144 204 HH22 ARG 21 HH22 ARG 21 -21.287 25.047 2.191 205 H ALA 22 H ALA 22 -14.180 22.617 7.719 206 HA ALA 22 HA ALA 22 -16.508 22.688 9.350 207 HB1 ALA 22 HB1 ALA 22 -13.632 22.076 10.118 208 HB2 ALA 22 HB2 ALA 22 -15.080 21.653 11.061 209 HB3 ALA 22 HB3 ALA 22 -14.808 20.909 9.467 210 H ALA 23 H ALA 23 -13.476 24.577 9.494 211 HA ALA 23 HA ALA 23 -14.471 26.082 11.805 212 HB1 ALA 23 HB1 ALA 23 -11.990 26.453 10.089 213 HB2 ALA 23 HB2 ALA 23 -12.335 27.282 11.626 214 HB3 ALA 23 HB3 ALA 23 -12.081 25.521 11.602 215 H ALA 24 H ALA 24 -13.535 26.903 8.428 216 HA ALA 24 HA ALA 24 -14.398 29.567 8.487 217 HB1 ALA 24 HB1 ALA 24 -14.500 27.616 6.159 218 HB2 ALA 24 HB2 ALA 24 -14.545 29.391 6.041 219 HB3 ALA 24 HB3 ALA 24 -13.086 28.576 6.653 220 H ALA 25 H ALA 25 -16.284 26.617 7.799 221 HA ALA 25 HA ALA 25 -18.734 28.318 7.832 222 HB1 ALA 25 HB1 ALA 25 -18.300 25.540 6.680 223 HB2 ALA 25 HB2 ALA 25 -19.815 26.472 6.624 224 HB3 ALA 25 HB3 ALA 25 -18.379 27.054 5.748 225 H ARG 26 H ARG 26 -20.005 28.246 9.536 226 HA ARG 26 HA ARG 26 -19.612 26.062 11.509 227 HB2 ARG 26 HB2 ARG 26 -20.944 28.763 11.537 228 HB3 ARG 26 HB3 ARG 26 -21.241 27.558 12.812 229 HG2 ARG 26 HG2 ARG 26 -18.624 27.487 12.958 230 HG3 ARG 26 HG3 ARG 26 -18.727 29.072 12.156 231 HD2 ARG 26 HD2 ARG 26 -19.863 30.052 13.957 232 HD3 ARG 26 HD3 ARG 26 -20.388 28.480 14.604 233 HE ARG 26 HE ARG 26 -17.620 28.439 14.770 234 HH11 ARG 26 HH11 ARG 26 -20.215 30.490 15.957 235 HH12 ARG 26 HH12 ARG 26 -19.345 30.961 17.404 236 HH21 ARG 26 HH21 ARG 26 -16.500 29.054 16.649 237 HH22 ARG 26 HH22 ARG 26 -17.246 30.150 17.795 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 4.695 2.177 1.842 2 H2 GLY 1 H2 GLY 1 4.831 0.561 1.585 3 H3 GLY 1 H3 GLY 1 3.279 1.360 1.692 4 HA2 GLY 1 HA2 GLY 1 4.795 0.732 -0.472 5 HA3 GLY 1 HA3 GLY 1 3.216 1.545 -0.364 6 H ALA 2 H ALA 2 5.977 1.912 -1.865 7 HA ALA 2 HA ALA 2 6.736 4.607 -1.091 8 HB1 ALA 2 HB1 ALA 2 7.403 2.986 -3.574 9 HB2 ALA 2 HB2 ALA 2 8.199 4.494 -3.062 10 HB3 ALA 2 HB3 ALA 2 8.351 3.025 -2.069 11 H MET 3 H MET 3 5.040 3.203 -3.932 12 HA MET 3 HA MET 3 4.439 5.780 -5.079 13 HB2 MET 3 HB2 MET 3 3.049 4.583 -6.587 14 HB3 MET 3 HB3 MET 3 4.524 3.625 -6.313 15 HG2 MET 3 HG2 MET 3 3.073 2.440 -4.485 16 HG3 MET 3 HG3 MET 3 1.705 3.104 -5.409 17 HE1 MET 3 HE1 MET 3 0.782 2.122 -7.546 18 HE2 MET 3 HE2 MET 3 1.072 0.388 -7.823 19 HE3 MET 3 HE3 MET 3 0.567 0.960 -6.215 20 H ALA 4 H ALA 4 2.742 3.638 -2.816 21 HA ALA 4 HA ALA 4 0.227 4.927 -2.897 22 HB1 ALA 4 HB1 ALA 4 1.607 3.580 -0.550 23 HB2 ALA 4 HB2 ALA 4 -0.133 3.927 -0.683 24 HB3 ALA 4 HB3 ALA 4 0.630 2.763 -1.793 25 H THR 5 H THR 5 3.223 5.808 -1.248 26 HA THR 5 HA THR 5 2.202 7.701 0.596 27 HB THR 5 HB THR 5 4.758 8.133 -0.969 28 HG1 THR 5 HG1 THR 5 5.732 6.663 0.531 29 HG21 THR 5 HG21 THR 5 3.984 8.552 1.947 30 HG22 THR 5 HG22 THR 5 5.562 8.945 1.223 31 HG23 THR 5 HG23 THR 5 4.103 9.826 0.710 32 H ARG 6 H ARG 6 2.608 7.934 -2.889 33 HA ARG 6 HA ARG 6 2.464 10.758 -3.137 34 HB2 ARG 6 HB2 ARG 6 2.918 8.926 -4.890 35 HB3 ARG 6 HB3 ARG 6 1.147 8.828 -5.032 36 HG2 ARG 6 HG2 ARG 6 2.613 11.452 -5.309 37 HG3 ARG 6 HG3 ARG 6 2.433 10.343 -6.689 38 HD2 ARG 6 HD2 ARG 6 -0.112 10.366 -5.952 39 HD3 ARG 6 HD3 ARG 6 0.345 11.916 -5.206 40 HE ARG 6 HE ARG 6 0.462 12.867 -7.301 41 HH11 ARG 6 HH11 ARG 6 0.476 9.364 -7.585 42 HH12 ARG 6 HH12 ARG 6 0.327 9.384 -9.331 43 HH21 ARG 6 HH21 ARG 6 0.270 12.883 -9.565 44 HH22 ARG 6 HH22 ARG 6 0.211 11.371 -10.450 45 H GLN 7 H GLN 7 -0.234 8.404 -3.510 46 HA GLN 7 HA GLN 7 -2.242 10.465 -3.457 47 HB2 GLN 7 HB2 GLN 7 -2.317 8.033 -4.352 48 HB3 GLN 7 HB3 GLN 7 -2.703 7.603 -2.669 49 HG2 GLN 7 HG2 GLN 7 -4.812 7.823 -3.659 50 HG3 GLN 7 HG3 GLN 7 -4.561 9.396 -2.866 51 HE21 GLN 7 HE22 GLN 7 -6.426 9.033 -4.925 52 HE22 GLN 7 HE21 GLN 7 -5.885 9.924 -6.334 53 H ALA 8 H ALA 8 -0.658 8.549 -0.955 54 HA ALA 8 HA ALA 8 -2.483 8.935 1.143 55 HB1 ALA 8 HB1 ALA 8 0.554 8.893 1.274 56 HB2 ALA 8 HB2 ALA 8 -0.557 8.615 2.636 57 HB3 ALA 8 HB3 ALA 8 -0.510 7.466 1.278 58 H ARG 9 H ARG 9 -0.309 11.222 -0.372 59 HA ARG 9 HA ARG 9 -0.528 13.171 1.807 60 HB2 ARG 9 HB2 ARG 9 0.550 13.305 -1.014 61 HB3 ARG 9 HB3 ARG 9 0.576 14.664 0.135 62 HG2 ARG 9 HG2 ARG 9 1.839 11.985 0.753 63 HG3 ARG 9 HG3 ARG 9 2.722 13.282 -0.087 64 HD2 ARG 9 HD2 ARG 9 2.195 14.801 1.838 65 HD3 ARG 9 HD3 ARG 9 1.484 13.407 2.686 66 HE ARG 9 HE ARG 9 3.604 12.669 3.201 67 HH11 ARG 9 HH11 ARG 9 3.773 15.036 0.610 68 HH12 ARG 9 HH12 ARG 9 5.524 15.117 0.635 69 HH21 ARG 9 HH21 ARG 9 5.873 12.782 3.227 70 HH22 ARG 9 HH22 ARG 9 6.710 13.845 2.112 71 H ARG 10 H ARG 10 -2.216 12.414 -1.178 72 HA ARG 10 HA ARG 10 -3.558 14.953 -1.439 73 HB2 ARG 10 HB2 ARG 10 -3.243 12.940 -3.094 74 HB3 ARG 10 HB3 ARG 10 -4.746 12.358 -2.340 75 HG2 ARG 10 HG2 ARG 10 -5.887 14.429 -2.971 76 HG3 ARG 10 HG3 ARG 10 -4.381 15.055 -3.683 77 HD2 ARG 10 HD2 ARG 10 -5.376 14.235 -5.586 78 HD3 ARG 10 HD3 ARG 10 -4.514 12.772 -5.054 79 HE ARG 10 HE ARG 10 -6.969 12.581 -3.826 80 HH11 ARG 10 HH11 ARG 10 -5.864 13.025 -7.130 81 HH12 ARG 10 HH12 ARG 10 -7.241 12.195 -7.831 82 HH21 ARG 10 HH21 ARG 10 -8.751 11.510 -4.741 83 HH22 ARG 10 HH22 ARG 10 -8.872 11.339 -6.481 84 H ASN 11 H ASN 11 -4.876 11.775 -0.383 85 HA ASN 11 HA ASN 11 -7.309 12.803 0.621 86 HB2 ASN 11 HB2 ASN 11 -7.218 10.709 2.100 87 HB3 ASN 11 HB3 ASN 11 -7.168 10.467 0.337 88 HD21 ASN 11 HD22 ASN 11 -5.836 8.882 -0.212 89 HD22 ASN 11 HD21 ASN 11 -4.287 8.539 0.535 90 H ARG 12 H ARG 12 -4.100 12.707 2.079 91 HA ARG 12 HA ARG 12 -5.056 13.395 4.743 92 HB2 ARG 12 HB2 ARG 12 -2.993 12.200 4.494 93 HB3 ARG 12 HB3 ARG 12 -2.342 13.457 3.415 94 HG2 ARG 12 HG2 ARG 12 -3.153 14.652 5.903 95 HG3 ARG 12 HG3 ARG 12 -2.096 13.260 6.237 96 HD2 ARG 12 HD2 ARG 12 -0.269 14.235 5.264 97 HD3 ARG 12 HD3 ARG 12 -1.243 15.095 4.049 98 HE ARG 12 HE ARG 12 -1.217 16.933 5.417 99 HH11 ARG 12 HH11 ARG 12 -0.652 14.057 7.353 100 HH12 ARG 12 HH12 ARG 12 -0.391 14.957 8.834 101 HH21 ARG 12 HH21 ARG 12 -0.874 18.094 7.339 102 HH22 ARG 12 HH22 ARG 12 -0.516 17.239 8.826 103 H ARG 13 H ARG 13 -3.803 15.183 1.935 104 HA ARG 13 HA ARG 13 -3.631 17.714 3.309 105 HB2 ARG 13 HB2 ARG 13 -3.637 16.772 0.468 106 HB3 ARG 13 HB3 ARG 13 -3.876 18.501 0.815 107 HG2 ARG 13 HG2 ARG 13 -1.744 18.712 1.803 108 HG3 ARG 13 HG3 ARG 13 -1.552 16.950 1.964 109 HD2 ARG 13 HD2 ARG 13 -1.250 16.681 -0.396 110 HD3 ARG 13 HD3 ARG 13 -1.756 18.357 -0.717 111 HE ARG 13 HE ARG 13 0.470 18.550 0.942 112 HH11 ARG 13 HH11 ARG 13 -0.289 17.177 -2.202 113 HH12 ARG 13 HH12 ARG 13 1.329 17.415 -2.832 114 HH21 ARG 13 HH21 ARG 13 2.565 18.856 0.117 115 HH22 ARG 13 HH22 ARG 13 2.941 18.363 -1.522 116 H ARG 14 H ARG 14 -6.089 16.339 1.079 117 HA ARG 14 HA ARG 14 -7.876 18.531 1.182 118 HB2 ARG 14 HB2 ARG 14 -9.530 17.032 0.371 119 HB3 ARG 14 HB3 ARG 14 -7.977 16.606 -0.385 120 HG2 ARG 14 HG2 ARG 14 -7.717 14.706 1.076 121 HG3 ARG 14 HG3 ARG 14 -9.146 15.183 2.023 122 HD2 ARG 14 HD2 ARG 14 -9.202 14.433 -0.921 123 HD3 ARG 14 HD3 ARG 14 -9.581 13.314 0.409 124 HE ARG 14 HE ARG 14 -11.253 15.454 0.848 125 HH11 ARG 14 HH11 ARG 14 -10.597 13.322 -1.865 126 HH12 ARG 14 HH12 ARG 14 -12.226 13.431 -2.503 127 HH21 ARG 14 HH21 ARG 14 -13.362 15.592 0.016 128 HH22 ARG 14 HH22 ARG 14 -13.789 14.714 -1.440 129 H ARG 15 H ARG 15 -7.278 15.952 3.498 130 HA ARG 15 HA ARG 15 -9.696 16.314 5.019 131 HB2 ARG 15 HB2 ARG 15 -7.034 15.025 5.418 132 HB3 ARG 15 HB3 ARG 15 -8.034 15.363 6.851 133 HG2 ARG 15 HG2 ARG 15 -9.816 13.993 6.034 134 HG3 ARG 15 HG3 ARG 15 -9.045 13.837 4.438 135 HD2 ARG 15 HD2 ARG 15 -7.442 12.339 5.207 136 HD3 ARG 15 HD3 ARG 15 -7.574 12.903 6.890 137 HE ARG 15 HE ARG 15 -10.044 11.754 6.220 138 HH11 ARG 15 HH11 ARG 15 -6.681 10.784 6.516 139 HH12 ARG 15 HH12 ARG 15 -7.068 9.136 6.969 140 HH21 ARG 15 HH21 ARG 15 -10.540 9.617 6.807 141 HH22 ARG 15 HH22 ARG 15 -9.250 8.476 7.133 142 H TRP 16 H TRP 16 -6.445 17.762 5.209 143 HA TRP 16 HA TRP 16 -7.118 19.296 7.601 144 HB2 TRP 16 HB2 TRP 16 -4.763 19.055 5.743 145 HB3 TRP 16 HB3 TRP 16 -4.902 20.512 6.755 146 HD1 TRP 16 HD1 TRP 16 -3.548 17.255 6.744 147 HE1 TRP 16 HE1 TRP 16 -2.853 16.443 9.228 148 HE3 TRP 16 HE3 TRP 16 -6.067 20.779 9.409 149 HZ2 TRP 16 HZ2 TRP 16 -3.387 17.292 11.798 150 HZ3 TRP 16 HZ3 TRP 16 -5.977 20.768 11.815 151 HH2 TRP 16 HH2 TRP 16 -4.658 19.063 13.059 152 H ARG 17 H ARG 17 -7.363 19.753 4.136 153 HA ARG 17 HA ARG 17 -7.692 22.652 4.331 154 HB2 ARG 17 HB2 ARG 17 -7.348 20.667 2.295 155 HB3 ARG 17 HB3 ARG 17 -8.813 21.614 1.945 156 HG2 ARG 17 HG2 ARG 17 -6.026 22.720 2.420 157 HG3 ARG 17 HG3 ARG 17 -6.852 22.595 0.848 158 HD2 ARG 17 HD2 ARG 17 -8.686 24.057 1.839 159 HD3 ARG 17 HD3 ARG 17 -7.594 24.343 3.214 160 HE ARG 17 HE ARG 17 -6.150 24.927 0.877 161 HH11 ARG 17 HH11 ARG 17 -8.989 26.084 2.591 162 HH12 ARG 17 HH12 ARG 17 -8.806 27.734 2.030 163 HH21 ARG 17 HH21 ARG 17 -5.918 27.068 0.155 164 HH22 ARG 17 HH22 ARG 17 -7.071 28.290 0.654 165 H GLU 18 H GLU 18 -9.908 19.939 3.499 166 HA GLU 18 HA GLU 18 -12.270 21.502 3.462 167 HB2 GLU 18 HB2 GLU 18 -11.759 18.599 4.114 168 HB3 GLU 18 HB3 GLU 18 -13.389 19.305 4.011 169 HG2 GLU 18 HG2 GLU 18 -12.615 20.108 1.663 170 HG3 GLU 18 HG3 GLU 18 -11.358 18.860 1.837 171 H ARG 19 H ARG 19 -10.406 20.243 6.154 172 HA ARG 19 HA ARG 19 -12.451 20.429 8.150 173 HB2 ARG 19 HB2 ARG 19 -10.338 19.211 8.428 174 HB3 ARG 19 HB3 ARG 19 -9.452 20.754 8.380 175 HG2 ARG 19 HG2 ARG 19 -11.636 20.429 10.399 176 HG3 ARG 19 HG3 ARG 19 -10.101 19.573 10.678 177 HD2 ARG 19 HD2 ARG 19 -9.050 21.930 10.105 178 HD3 ARG 19 HD3 ARG 19 -10.659 22.525 10.579 179 HE ARG 19 HE ARG 19 -9.854 20.796 12.614 180 HH11 ARG 19 HH11 ARG 19 -8.691 23.756 11.120 181 HH12 ARG 19 HH12 ARG 19 -7.922 24.337 12.584 182 HH21 ARG 19 HH21 ARG 19 -8.859 21.557 14.509 183 HH22 ARG 19 HH22 ARG 19 -8.017 23.095 14.499 184 H GLN 20 H GLN 20 -9.932 22.761 7.107 185 HA GLN 20 HA GLN 20 -10.927 24.817 8.914 186 HB2 GLN 20 HB2 GLN 20 -8.563 24.396 7.767 187 HB3 GLN 20 HB3 GLN 20 -9.272 25.450 6.520 188 HG2 GLN 20 HG2 GLN 20 -9.248 27.299 7.868 189 HG3 GLN 20 HG3 GLN 20 -9.506 26.351 9.352 190 HE21 GLN 20 HE22 GLN 20 -6.999 26.055 6.811 191 HE22 GLN 20 HE21 GLN 20 -5.638 26.325 7.883 192 H ARG 21 H ARG 21 -11.608 23.807 5.631 193 HA ARG 21 HA ARG 21 -12.675 26.152 4.533 194 HB2 ARG 21 HB2 ARG 21 -12.439 23.668 3.663 195 HB3 ARG 21 HB3 ARG 21 -14.133 23.568 4.198 196 HG2 ARG 21 HG2 ARG 21 -14.064 24.123 1.838 197 HG3 ARG 21 HG3 ARG 21 -14.673 25.515 2.764 198 HD2 ARG 21 HD2 ARG 21 -12.768 26.771 2.397 199 HD3 ARG 21 HD3 ARG 21 -11.731 25.337 2.210 200 HE ARG 21 HE ARG 21 -13.568 25.402 0.055 201 HH11 ARG 21 HH11 ARG 21 -10.824 27.188 1.328 202 HH12 ARG 21 HH12 ARG 21 -10.310 27.759 -0.247 203 HH21 ARG 21 HH21 ARG 21 -12.895 26.143 -1.983 204 HH22 ARG 21 HH22 ARG 21 -11.479 27.169 -2.118 205 H ALA 22 H ALA 22 -14.033 24.051 7.019 206 HA ALA 22 HA ALA 22 -16.697 25.048 6.902 207 HB1 ALA 22 HB1 ALA 22 -15.144 23.951 9.272 208 HB2 ALA 22 HB2 ALA 22 -16.913 24.124 9.168 209 HB3 ALA 22 HB3 ALA 22 -16.064 22.987 8.093 210 H ALA 23 H ALA 23 -13.824 26.157 8.701 211 HA ALA 23 HA ALA 23 -15.364 28.325 9.936 212 HB1 ALA 23 HB1 ALA 23 -12.385 27.724 9.948 213 HB2 ALA 23 HB2 ALA 23 -13.214 28.930 10.960 214 HB3 ALA 23 HB3 ALA 23 -13.559 27.197 11.176 215 H ALA 24 H ALA 24 -12.579 28.129 7.666 216 HA ALA 24 HA ALA 24 -12.445 30.871 7.083 217 HB1 ALA 24 HB1 ALA 24 -11.888 28.526 5.233 218 HB2 ALA 24 HB2 ALA 24 -11.303 30.192 5.016 219 HB3 ALA 24 HB3 ALA 24 -10.743 29.225 6.401 220 H ALA 25 H ALA 25 -14.423 28.340 5.512 221 HA ALA 25 HA ALA 25 -15.793 30.488 3.979 222 HB1 ALA 25 HB1 ALA 25 -15.881 27.467 3.673 223 HB2 ALA 25 HB2 ALA 25 -16.687 28.651 2.617 224 HB3 ALA 25 HB3 ALA 25 -14.910 28.586 2.688 225 H ARG 26 H ARG 26 -17.818 31.102 4.355 226 HA ARG 26 HA ARG 26 -19.302 29.632 6.494 227 HB2 ARG 26 HB2 ARG 26 -19.288 32.480 5.519 228 HB3 ARG 26 HB3 ARG 26 -20.648 31.820 6.458 229 HG2 ARG 26 HG2 ARG 26 -19.076 31.241 8.281 230 HG3 ARG 26 HG3 ARG 26 -17.751 31.975 7.346 231 HD2 ARG 26 HD2 ARG 26 -20.224 33.392 8.404 232 HD3 ARG 26 HD3 ARG 26 -18.565 33.554 9.026 233 HE ARG 26 HE ARG 26 -18.457 34.224 6.313 234 HH11 ARG 26 HH11 ARG 26 -20.064 35.365 9.222 235 HH12 ARG 26 HH12 ARG 26 -20.122 37.032 8.682 236 HH21 ARG 26 HH21 ARG 26 -18.533 36.385 5.623 237 HH22 ARG 26 HH22 ARG 26 -19.257 37.608 6.649 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 1.909 1.279 0.253 2 H2 GLY 1 H2 GLY 1 2.320 -0.310 0.283 3 H3 GLY 1 H3 GLY 1 0.777 0.241 -0.329 4 HA2 GLY 1 HA2 GLY 1 3.100 -0.298 -1.630 5 HA3 GLY 1 HA3 GLY 1 1.530 0.263 -2.253 6 H ALA 2 H ALA 2 4.100 1.017 -3.288 7 HA ALA 2 HA ALA 2 4.953 3.546 -2.319 8 HB1 ALA 2 HB1 ALA 2 5.081 2.422 -5.140 9 HB2 ALA 2 HB2 ALA 2 6.037 3.784 -4.511 10 HB3 ALA 2 HB3 ALA 2 6.280 2.149 -3.854 11 H MET 3 H MET 3 2.558 2.691 -4.838 12 HA MET 3 HA MET 3 1.967 5.444 -5.492 13 HB2 MET 3 HB2 MET 3 1.565 3.321 -6.870 14 HB3 MET 3 HB3 MET 3 0.131 3.082 -5.845 15 HG2 MET 3 HG2 MET 3 -0.537 5.460 -6.524 16 HG3 MET 3 HG3 MET 3 0.713 5.325 -7.783 17 HE1 MET 3 HE1 MET 3 -2.908 5.068 -7.101 18 HE2 MET 3 HE2 MET 3 -3.474 3.527 -7.786 19 HE3 MET 3 HE3 MET 3 -2.505 3.534 -6.294 20 H ALA 4 H ALA 4 0.754 3.157 -3.095 21 HA ALA 4 HA ALA 4 -1.575 4.726 -2.427 22 HB1 ALA 4 HB1 ALA 4 -0.087 2.617 -0.824 23 HB2 ALA 4 HB2 ALA 4 -1.716 3.243 -0.474 24 HB3 ALA 4 HB3 ALA 4 -1.420 2.312 -1.962 25 H THR 5 H THR 5 1.771 4.604 -1.252 26 HA THR 5 HA THR 5 1.216 6.470 0.950 27 HB THR 5 HB THR 5 3.738 6.482 1.128 28 HG1 THR 5 HG1 THR 5 4.824 4.878 -0.137 29 HG21 THR 5 HG21 THR 5 2.407 3.742 1.088 30 HG22 THR 5 HG22 THR 5 3.907 4.157 1.951 31 HG23 THR 5 HG23 THR 5 2.365 4.899 2.440 32 H ARG 6 H ARG 6 2.634 6.636 -2.307 33 HA ARG 6 HA ARG 6 3.627 9.271 -2.181 34 HB2 ARG 6 HB2 ARG 6 3.890 7.593 -4.034 35 HB3 ARG 6 HB3 ARG 6 2.233 7.998 -4.539 36 HG2 ARG 6 HG2 ARG 6 3.851 9.219 -5.895 37 HG3 ARG 6 HG3 ARG 6 2.917 10.342 -4.879 38 HD2 ARG 6 HD2 ARG 6 4.723 10.754 -3.448 39 HD3 ARG 6 HD3 ARG 6 5.567 9.262 -3.926 40 HE ARG 6 HE ARG 6 5.742 11.858 -5.193 41 HH11 ARG 6 HH11 ARG 6 5.943 8.389 -5.713 42 HH12 ARG 6 HH12 ARG 6 6.997 8.536 -7.106 43 HH21 ARG 6 HH21 ARG 6 7.105 12.041 -6.997 44 HH22 ARG 6 HH22 ARG 6 7.654 10.601 -7.832 45 H GLN 7 H GLN 7 0.423 8.280 -3.490 46 HA GLN 7 HA GLN 7 -0.575 10.942 -3.684 47 HB2 GLN 7 HB2 GLN 7 -1.593 9.133 -4.884 48 HB3 GLN 7 HB3 GLN 7 -1.956 8.273 -3.368 49 HG2 GLN 7 HG2 GLN 7 -3.727 9.658 -2.840 50 HG3 GLN 7 HG3 GLN 7 -3.071 11.028 -3.768 51 HE21 GLN 7 HE22 GLN 7 -3.544 11.253 -5.939 52 HE22 GLN 7 HE21 GLN 7 -4.716 10.244 -6.764 53 H ALA 8 H ALA 8 -0.320 8.743 -0.965 54 HA ALA 8 HA ALA 8 -2.264 9.785 0.748 55 HB1 ALA 8 HB1 ALA 8 0.548 8.880 1.460 56 HB2 ALA 8 HB2 ALA 8 -0.825 9.014 2.584 57 HB3 ALA 8 HB3 ALA 8 -0.869 7.822 1.264 58 H ARG 9 H ARG 9 0.888 11.150 -0.121 59 HA ARG 9 HA ARG 9 1.045 13.138 1.894 60 HB2 ARG 9 HB2 ARG 9 2.102 12.800 -0.880 61 HB3 ARG 9 HB3 ARG 9 2.223 14.397 -0.105 62 HG2 ARG 9 HG2 ARG 9 4.279 13.275 0.329 63 HG3 ARG 9 HG3 ARG 9 3.348 13.250 1.846 64 HD2 ARG 9 HD2 ARG 9 2.743 10.959 1.545 65 HD3 ARG 9 HD3 ARG 9 3.320 10.957 -0.138 66 HE ARG 9 HE ARG 9 4.887 10.516 2.247 67 HH11 ARG 9 HH11 ARG 9 4.967 11.778 -1.030 68 HH12 ARG 9 HH12 ARG 9 6.686 11.495 -1.227 69 HH21 ARG 9 HH21 ARG 9 7.112 10.152 1.985 70 HH22 ARG 9 HH22 ARG 9 7.898 10.576 0.476 71 H ARG 10 H ARG 10 -0.829 13.017 -1.101 72 HA ARG 10 HA ARG 10 -1.594 15.830 -0.954 73 HB2 ARG 10 HB2 ARG 10 -2.833 13.538 -2.490 74 HB3 ARG 10 HB3 ARG 10 -3.101 15.276 -2.761 75 HG2 ARG 10 HG2 ARG 10 -1.004 15.590 -3.710 76 HG3 ARG 10 HG3 ARG 10 -0.322 14.144 -2.928 77 HD2 ARG 10 HD2 ARG 10 -1.944 12.795 -4.395 78 HD3 ARG 10 HD3 ARG 10 -2.175 14.299 -5.319 79 HE ARG 10 HE ARG 10 0.616 13.652 -5.010 80 HH11 ARG 10 HH11 ARG 10 -2.298 12.873 -6.808 81 HH12 ARG 10 HH12 ARG 10 -1.423 12.320 -8.223 82 HH21 ARG 10 HH21 ARG 10 1.743 12.938 -6.848 83 HH22 ARG 10 HH22 ARG 10 0.860 12.357 -8.246 84 H ASN 11 H ASN 11 -3.263 12.715 -0.316 85 HA ASN 11 HA ASN 11 -5.711 13.875 0.554 86 HB2 ASN 11 HB2 ASN 11 -4.336 11.248 1.182 87 HB3 ASN 11 HB3 ASN 11 -5.952 11.666 1.798 88 HD21 ASN 11 HD22 ASN 11 -4.595 9.768 -0.363 89 HD22 ASN 11 HD21 ASN 11 -5.725 9.884 -1.699 90 H ARG 12 H ARG 12 -2.634 13.425 2.196 91 HA ARG 12 HA ARG 12 -3.591 13.743 4.874 92 HB2 ARG 12 HB2 ARG 12 -1.285 12.996 3.950 93 HB3 ARG 12 HB3 ARG 12 -0.930 14.739 3.903 94 HG2 ARG 12 HG2 ARG 12 -0.078 13.854 5.971 95 HG3 ARG 12 HG3 ARG 12 -1.501 14.861 6.332 96 HD2 ARG 12 HD2 ARG 12 -2.869 12.980 6.746 97 HD3 ARG 12 HD3 ARG 12 -1.731 11.870 5.947 98 HE ARG 12 HE ARG 12 -0.530 13.140 8.233 99 HH11 ARG 12 HH11 ARG 12 -2.768 10.616 7.249 100 HH12 ARG 12 HH12 ARG 12 -2.492 9.645 8.682 101 HH21 ARG 12 HH21 ARG 12 -0.176 11.876 10.085 102 HH22 ARG 12 HH22 ARG 12 -1.028 10.357 10.285 103 H ARG 13 H ARG 13 -1.896 16.173 2.833 104 HA ARG 13 HA ARG 13 -2.546 18.366 4.537 105 HB2 ARG 13 HB2 ARG 13 -1.896 19.760 2.666 106 HB3 ARG 13 HB3 ARG 13 -0.748 18.420 2.896 107 HG2 ARG 13 HG2 ARG 13 -2.065 17.195 1.074 108 HG3 ARG 13 HG3 ARG 13 -2.837 18.762 0.734 109 HD2 ARG 13 HD2 ARG 13 0.171 18.506 0.837 110 HD3 ARG 13 HD3 ARG 13 -0.729 18.077 -0.637 111 HE ARG 13 HE ARG 13 -1.582 20.638 0.207 112 HH11 ARG 13 HH11 ARG 13 1.274 19.023 -1.049 113 HH12 ARG 13 HH12 ARG 13 1.888 20.462 -1.839 114 HH21 ARG 13 HH21 ARG 13 -0.778 22.499 -0.820 115 HH22 ARG 13 HH22 ARG 13 0.730 22.424 -1.710 116 H ARG 14 H ARG 14 -4.269 16.905 1.800 117 HA ARG 14 HA ARG 14 -6.182 18.917 1.340 118 HB2 ARG 14 HB2 ARG 14 -6.237 15.916 1.164 119 HB3 ARG 14 HB3 ARG 14 -7.688 16.885 0.815 120 HG2 ARG 14 HG2 ARG 14 -5.103 17.570 -0.545 121 HG3 ARG 14 HG3 ARG 14 -6.035 16.166 -1.117 122 HD2 ARG 14 HD2 ARG 14 -7.327 18.872 -0.719 123 HD3 ARG 14 HD3 ARG 14 -6.488 18.456 -2.232 124 HE ARG 14 HE ARG 14 -8.481 16.502 -1.389 125 HH11 ARG 14 HH11 ARG 14 -7.849 19.458 -3.180 126 HH12 ARG 14 HH12 ARG 14 -9.246 19.269 -4.222 127 HH21 ARG 14 HH21 ARG 14 -10.291 16.265 -2.741 128 HH22 ARG 14 HH22 ARG 14 -10.626 17.465 -3.974 129 H ARG 15 H ARG 15 -5.980 16.556 3.961 130 HA ARG 15 HA ARG 15 -8.600 16.722 4.968 131 HB2 ARG 15 HB2 ARG 15 -6.453 15.385 5.707 132 HB3 ARG 15 HB3 ARG 15 -6.258 16.756 6.825 133 HG2 ARG 15 HG2 ARG 15 -7.493 15.363 8.161 134 HG3 ARG 15 HG3 ARG 15 -8.811 16.233 7.341 135 HD2 ARG 15 HD2 ARG 15 -9.485 14.016 7.105 136 HD3 ARG 15 HD3 ARG 15 -8.621 14.303 5.576 137 HE ARG 15 HE ARG 15 -6.678 13.322 7.260 138 HH11 ARG 15 HH11 ARG 15 -9.855 12.238 6.226 139 HH12 ARG 15 HH12 ARG 15 -9.453 10.537 6.362 140 HH21 ARG 15 HH21 ARG 15 -6.164 11.118 7.435 141 HH22 ARG 15 HH22 ARG 15 -7.368 9.904 7.045 142 H TRP 16 H TRP 16 -5.794 18.791 5.835 143 HA TRP 16 HA TRP 16 -7.194 20.500 7.602 144 HB2 TRP 16 HB2 TRP 16 -4.727 20.812 5.878 145 HB3 TRP 16 HB3 TRP 16 -5.365 22.196 6.798 146 HD1 TRP 16 HD1 TRP 16 -2.966 19.698 7.034 147 HE1 TRP 16 HE1 TRP 16 -2.250 19.171 9.588 148 HE3 TRP 16 HE3 TRP 16 -6.887 21.933 9.378 149 HZ2 TRP 16 HZ2 TRP 16 -3.310 19.707 12.079 150 HZ3 TRP 16 HZ3 TRP 16 -7.026 21.918 11.782 151 HH2 TRP 16 HH2 TRP 16 -5.277 20.831 13.180 152 H ARG 17 H ARG 17 -7.039 20.482 4.071 153 HA ARG 17 HA ARG 17 -8.220 23.092 3.730 154 HB2 ARG 17 HB2 ARG 17 -6.907 21.619 2.066 155 HB3 ARG 17 HB3 ARG 17 -8.463 20.798 1.801 156 HG2 ARG 17 HG2 ARG 17 -8.379 23.783 1.620 157 HG3 ARG 17 HG3 ARG 17 -7.674 22.840 0.286 158 HD2 ARG 17 HD2 ARG 17 -9.822 21.578 0.106 159 HD3 ARG 17 HD3 ARG 17 -10.514 22.643 1.353 160 HE ARG 17 HE ARG 17 -10.772 24.299 -0.234 161 HH11 ARG 17 HH11 ARG 17 -8.584 21.826 -1.436 162 HH12 ARG 17 HH12 ARG 17 -8.524 22.495 -3.055 163 HH21 ARG 17 HH21 ARG 17 -10.688 25.159 -2.333 164 HH22 ARG 17 HH22 ARG 17 -9.712 24.378 -3.562 165 H GLU 18 H GLU 18 -9.604 19.783 3.472 166 HA GLU 18 HA GLU 18 -12.286 20.651 3.076 167 HB2 GLU 18 HB2 GLU 18 -11.356 18.137 4.469 168 HB3 GLU 18 HB3 GLU 18 -12.917 18.415 3.661 169 HG2 GLU 18 HG2 GLU 18 -10.273 18.544 2.206 170 HG3 GLU 18 HG3 GLU 18 -11.178 17.024 2.405 171 H ARG 19 H ARG 19 -10.351 20.286 6.000 172 HA ARG 19 HA ARG 19 -12.638 20.502 7.794 173 HB2 ARG 19 HB2 ARG 19 -10.364 19.419 8.238 174 HB3 ARG 19 HB3 ARG 19 -9.750 21.078 8.434 175 HG2 ARG 19 HG2 ARG 19 -10.961 21.444 10.380 176 HG3 ARG 19 HG3 ARG 19 -12.162 20.190 9.989 177 HD2 ARG 19 HD2 ARG 19 -10.229 18.509 10.261 178 HD3 ARG 19 HD3 ARG 19 -9.342 19.844 11.035 179 HE ARG 19 HE ARG 19 -10.630 19.571 12.922 180 HH11 ARG 19 HH11 ARG 19 -12.180 17.984 10.199 181 HH12 ARG 19 HH12 ARG 19 -13.423 17.239 11.184 182 HH21 ARG 19 HH21 ARG 19 -12.243 18.601 14.193 183 HH22 ARG 19 HH22 ARG 19 -13.459 17.587 13.442 184 H GLN 20 H GLN 20 -10.434 22.738 6.202 185 HA GLN 20 HA GLN 20 -10.976 25.006 7.879 186 HB2 GLN 20 HB2 GLN 20 -9.233 24.477 5.901 187 HB3 GLN 20 HB3 GLN 20 -10.455 25.388 4.984 188 HG2 GLN 20 HG2 GLN 20 -10.236 27.274 6.533 189 HG3 GLN 20 HG3 GLN 20 -9.051 26.360 7.497 190 HE21 GLN 20 HE22 GLN 20 -7.123 25.516 6.165 191 HE22 GLN 20 HE21 GLN 20 -6.417 26.664 5.045 192 H ARG 21 H ARG 21 -12.760 23.477 5.281 193 HA ARG 21 HA ARG 21 -14.389 25.581 4.408 194 HB2 ARG 21 HB2 ARG 21 -14.506 22.665 4.518 195 HB3 ARG 21 HB3 ARG 21 -16.110 23.429 4.628 196 HG2 ARG 21 HG2 ARG 21 -16.089 24.065 2.469 197 HG3 ARG 21 HG3 ARG 21 -14.389 24.586 2.547 198 HD2 ARG 21 HD2 ARG 21 -13.612 22.323 2.232 199 HD3 ARG 21 HD3 ARG 21 -15.266 21.682 2.382 200 HE ARG 21 HE ARG 21 -14.022 22.723 0.011 201 HH11 ARG 21 HH11 ARG 21 -17.080 22.507 1.727 202 HH12 ARG 21 HH12 ARG 21 -18.046 22.630 0.269 203 HH21 ARG 21 HH21 ARG 21 -15.279 22.879 -1.874 204 HH22 ARG 21 HH22 ARG 21 -17.028 22.840 -1.766 205 H ALA 22 H ALA 22 -14.568 23.730 7.427 206 HA ALA 22 HA ALA 22 -17.123 24.566 8.268 207 HB1 ALA 22 HB1 ALA 22 -14.647 24.052 9.954 208 HB2 ALA 22 HB2 ALA 22 -16.327 24.075 10.540 209 HB3 ALA 22 HB3 ALA 22 -15.801 22.819 9.394 210 H ALA 23 H ALA 23 -13.953 26.170 8.691 211 HA ALA 23 HA ALA 23 -15.234 28.438 10.034 212 HB1 ALA 23 HB1 ALA 23 -12.376 28.023 9.089 213 HB2 ALA 23 HB2 ALA 23 -12.954 29.347 10.127 214 HB3 ALA 23 HB3 ALA 23 -12.997 27.669 10.719 215 H ALA 24 H ALA 24 -13.378 27.976 6.987 216 HA ALA 24 HA ALA 24 -13.703 30.542 5.954 217 HB1 ALA 24 HB1 ALA 24 -13.749 27.914 4.427 218 HB2 ALA 24 HB2 ALA 24 -13.401 29.519 3.740 219 HB3 ALA 24 HB3 ALA 24 -12.291 28.801 4.932 220 H ALA 25 H ALA 25 -15.961 27.780 5.690 221 HA ALA 25 HA ALA 25 -18.039 29.757 4.853 222 HB1 ALA 25 HB1 ALA 25 -17.757 26.854 3.998 223 HB2 ALA 25 HB2 ALA 25 -19.071 27.960 3.534 224 HB3 ALA 25 HB3 ALA 25 -17.407 28.277 2.988 225 H ARG 26 H ARG 26 -19.469 30.083 6.393 226 HA ARG 26 HA ARG 26 -19.837 28.170 8.559 227 HB2 ARG 26 HB2 ARG 26 -20.758 30.883 7.827 228 HB3 ARG 26 HB3 ARG 26 -21.890 29.915 8.801 229 HG2 ARG 26 HG2 ARG 26 -19.110 29.847 9.768 230 HG3 ARG 26 HG3 ARG 26 -19.843 31.469 9.796 231 HD2 ARG 26 HD2 ARG 26 -21.179 30.942 11.529 232 HD3 ARG 26 HD3 ARG 26 -21.669 29.404 10.779 233 HE ARG 26 HE ARG 26 -19.597 29.814 12.783 234 HH11 ARG 26 HH11 ARG 26 -20.801 27.747 10.211 235 HH12 ARG 26 HH12 ARG 26 -20.013 26.310 10.832 236 HH21 ARG 26 HH21 ARG 26 -18.577 27.947 13.581 237 HH22 ARG 26 HH22 ARG 26 -18.758 26.422 12.735
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