NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
602640 | 2n9o | 25913 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -1 H1 GLY -1 -16.831 2.800 5.284 2 H2 GLY -1 H2 GLY -1 -17.112 2.551 3.638 3 H3 GLY -1 H3 GLY -1 -17.654 3.969 4.382 4 HA2 GLY -1 HA3 GLY -1 -15.701 4.458 3.106 5 HA3 GLY -1 HA2 GLY -1 -15.360 4.626 4.822 6 H SER 0 H SER 0 -13.184 4.186 4.755 7 HA SER 0 HA SER 0 -12.384 1.630 3.551 8 HB2 SER 0 HB2 SER 0 -10.680 4.016 4.299 9 HB3 SER 0 HB3 SER 0 -10.123 2.562 3.470 10 HG SER 0 HG SER 0 -11.454 3.085 1.725 11 H MET 1 H MET 1 -13.364 2.628 6.435 12 HA MET 1 HA MET 1 -11.285 1.447 8.063 13 HB2 MET 1 HB2 MET 1 -14.041 2.474 8.743 14 HB3 MET 1 HB3 MET 1 -12.963 1.752 9.925 15 HG2 MET 1 HG2 MET 1 -11.311 3.504 9.478 16 HG3 MET 1 HG3 MET 1 -12.417 4.236 8.317 17 HE1 MET 1 HE1 MET 1 -11.041 5.680 10.923 18 HE2 MET 1 HE2 MET 1 -12.398 6.695 11.415 19 HE3 MET 1 HE3 MET 1 -12.008 6.513 9.705 20 H ALA 2 H ALA 2 -11.326 -0.524 9.018 21 HA ALA 2 HA ALA 2 -11.760 -2.727 9.298 22 HB1 ALA 2 HB1 ALA 2 -14.066 -3.544 9.260 23 HB2 ALA 2 HB2 ALA 2 -14.600 -2.016 8.558 24 HB3 ALA 2 HB3 ALA 2 -13.931 -2.051 10.190 25 H GLU 3 H GLU 3 -10.876 -1.568 6.858 26 HA GLU 3 HA GLU 3 -10.230 -2.198 4.799 27 HB2 GLU 3 HB2 GLU 3 -10.262 -4.526 5.948 28 HB3 GLU 3 HB3 GLU 3 -11.747 -4.784 5.048 29 HG2 GLU 3 HG2 GLU 3 -10.018 -5.754 3.780 30 HG3 GLU 3 HG3 GLU 3 -10.451 -4.255 2.960 31 H ALA 4 H ALA 4 -13.318 -3.952 4.820 32 HA ALA 4 HA ALA 4 -15.211 -3.759 3.598 33 HB1 ALA 4 HB1 ALA 4 -15.405 -1.611 4.753 34 HB2 ALA 4 HB2 ALA 4 -16.082 -1.541 3.126 35 HB3 ALA 4 HB3 ALA 4 -14.502 -0.833 3.453 36 H SER 5 H SER 5 -16.010 -2.450 1.378 37 HA SER 5 HA SER 5 -14.455 -3.741 -0.625 38 HB2 SER 5 HB2 SER 5 -16.930 -3.541 -0.726 39 HB3 SER 5 HB3 SER 5 -16.752 -1.814 -1.014 40 HG SER 5 HG SER 5 -15.521 -3.760 -2.665 41 HA PRO 6 HA PRO 6 -13.055 0.646 -1.944 42 HB2 PRO 6 HB2 PRO 6 -13.645 2.794 -0.435 43 HB3 PRO 6 HB3 PRO 6 -14.741 2.205 -1.691 44 HG2 PRO 6 HG2 PRO 6 -14.847 1.786 1.268 45 HG3 PRO 6 HG3 PRO 6 -16.167 2.140 0.138 46 HD2 PRO 6 HD2 PRO 6 -15.602 -0.365 1.074 47 HD3 PRO 6 HD3 PRO 6 -16.384 -0.048 -0.483 48 H HIS 7 H HIS 7 -11.908 -1.178 -0.301 49 HA HIS 7 HA HIS 7 -10.776 -0.174 2.085 50 HB2 HIS 7 HB2 HIS 7 -9.563 -2.230 2.158 51 HB3 HIS 7 HB3 HIS 7 -11.134 -2.591 1.485 52 HD1 HIS 7 HD1 HIS 7 -7.991 -3.785 1.122 53 HD2 HIS 7 HD2 HIS 7 -10.647 -2.202 -1.658 54 HE1 HIS 7 HE1 HIS 7 -7.264 -4.701 -1.112 55 HE2 HIS 7 HE2 HIS 7 -8.782 -3.592 -2.791 56 HA PRO 8 HA PRO 8 -7.245 2.090 0.779 57 HB2 PRO 8 HB2 PRO 8 -5.295 1.172 2.470 58 HB3 PRO 8 HB3 PRO 8 -6.524 2.349 2.926 59 HG2 PRO 8 HG2 PRO 8 -6.371 -0.566 3.477 60 HG3 PRO 8 HG3 PRO 8 -6.981 0.743 4.504 61 HD2 PRO 8 HD2 PRO 8 -8.580 -0.953 3.136 62 HD3 PRO 8 HD3 PRO 8 -9.043 0.707 3.524 63 H GLY 9 H GLY 9 -5.036 1.933 -0.085 64 HA2 GLY 9 HA2 GLY 9 -3.876 -0.570 -0.769 65 HA3 GLY 9 HA3 GLY 9 -4.832 0.044 -2.112 66 H ARG 10 H ARG 10 -4.366 2.801 -1.609 67 HA ARG 10 HA ARG 10 -1.878 3.200 -2.885 68 HB2 ARG 10 HB2 ARG 10 -2.285 5.615 -2.389 69 HB3 ARG 10 HB3 ARG 10 -3.629 4.819 -3.196 70 HG2 ARG 10 HG2 ARG 10 -4.910 4.754 -1.224 71 HG3 ARG 10 HG3 ARG 10 -3.528 5.168 -0.216 72 HD2 ARG 10 HD2 ARG 10 -4.311 7.262 -0.324 73 HD3 ARG 10 HD3 ARG 10 -3.657 7.274 -1.960 74 HE ARG 10 HE ARG 10 -5.825 6.891 -2.810 75 HH11 ARG 10 HH11 ARG 10 -5.738 7.276 0.674 76 HH12 ARG 10 HH12 ARG 10 -7.442 7.599 0.803 77 HH21 ARG 10 HH21 ARG 10 -8.071 7.310 -2.635 78 HH22 ARG 10 HH22 ARG 10 -8.767 7.615 -1.074 79 H TYR 11 H TYR 11 -0.055 2.637 -1.882 80 HA TYR 11 HA TYR 11 0.361 3.641 0.854 81 HB2 TYR 11 HB2 TYR 11 1.310 1.156 -0.513 82 HB3 TYR 11 HB3 TYR 11 2.313 1.884 0.733 83 HD1 TYR 11 HD2 TYR 11 -1.251 0.845 0.208 84 HD2 TYR 11 HD1 TYR 11 2.038 1.193 2.881 85 HE1 TYR 11 HE2 TYR 11 -2.559 -0.293 1.960 86 HE2 TYR 11 HE1 TYR 11 0.761 0.062 4.631 87 HH TYR 11 HH TYR 11 -2.181 -1.574 3.991 88 H PHE 12 H PHE 12 2.585 4.266 1.346 89 HA PHE 12 HA PHE 12 4.045 5.185 -1.027 90 HB2 PHE 12 HB2 PHE 12 2.710 6.958 0.275 91 HB3 PHE 12 HB3 PHE 12 3.941 6.775 1.522 92 HD1 PHE 12 HD2 PHE 12 3.250 7.825 -1.900 93 HD2 PHE 12 HD1 PHE 12 6.151 7.620 1.198 94 HE1 PHE 12 HE2 PHE 12 4.685 9.390 -3.150 95 HE2 PHE 12 HE1 PHE 12 7.604 9.178 -0.049 96 HZ PHE 12 HZ PHE 12 6.863 10.069 -2.221 97 H CYS 13 H CYS 13 5.870 4.096 -1.086 98 HA CYS 13 HA CYS 13 6.956 2.849 1.260 99 HB2 CYS 13 HB2 CYS 13 7.134 1.604 -0.757 100 HB3 CYS 13 HB3 CYS 13 7.846 2.959 -1.616 101 H HIS 14 H HIS 14 8.563 3.512 2.510 102 HA HIS 14 HA HIS 14 9.557 6.190 2.238 103 HB2 HIS 14 HB2 HIS 14 9.834 3.992 4.231 104 HB3 HIS 14 HB3 HIS 14 11.047 5.271 4.242 105 HD1 HIS 14 HD1 HIS 14 10.388 6.549 6.292 106 HD2 HIS 14 HD2 HIS 14 7.174 5.827 3.761 107 HE1 HIS 14 HE1 HIS 14 8.473 7.881 7.232 108 HE2 HIS 14 HE2 HIS 14 6.611 7.600 5.556 109 H CYS 15 H CYS 15 10.737 3.009 1.494 110 HA CYS 15 HA CYS 15 13.482 3.764 1.236 111 HB2 CYS 15 HB2 CYS 15 12.711 1.439 1.699 112 HB3 CYS 15 HB3 CYS 15 12.056 1.365 0.071 113 HG CYS 15 HG CYS 15 15.094 2.261 -0.382 114 H CYS 16 H CYS 16 10.816 3.225 -1.032 115 HA CYS 16 HA CYS 16 12.481 3.994 -3.287 116 HB2 CYS 16 HB2 CYS 16 9.554 3.247 -3.173 117 HB3 CYS 16 HB3 CYS 16 10.469 3.535 -4.642 118 H SER 17 H SER 17 10.421 5.436 -1.065 119 HA SER 17 HA SER 17 9.234 7.325 -0.855 120 HB2 SER 17 HB2 SER 17 10.352 9.404 -1.701 121 HB3 SER 17 HB3 SER 17 11.377 8.360 -0.721 122 HG SER 17 HG SER 17 11.551 7.722 -3.355 123 H VAL 18 H VAL 18 8.154 5.696 -2.729 124 HA VAL 18 HA VAL 18 6.821 7.632 -4.481 125 HB VAL 18 HB VAL 18 6.686 6.040 -6.313 126 HG11 VAL 18 HG11 VAL 18 9.535 6.406 -5.412 127 HG12 VAL 18 HG12 VAL 18 8.574 7.564 -6.334 128 HG13 VAL 18 HG13 VAL 18 9.014 6.013 -7.050 129 HG21 VAL 18 HG21 VAL 18 7.978 3.951 -6.291 130 HG22 VAL 18 HG22 VAL 18 6.715 3.973 -5.061 131 HG23 VAL 18 HG23 VAL 18 8.395 4.245 -4.603 132 H GLU 19 H GLU 19 4.738 6.744 -5.296 133 HA GLU 19 HA GLU 19 3.323 5.490 -3.095 134 HB2 GLU 19 HB2 GLU 19 2.520 7.447 -4.645 135 HB3 GLU 19 HB3 GLU 19 2.049 6.148 -5.729 136 HG2 GLU 19 HG2 GLU 19 0.981 5.260 -3.440 137 HG3 GLU 19 HG3 GLU 19 0.901 6.992 -3.158 138 H ILE 20 H ILE 20 2.580 3.442 -3.058 139 HA ILE 20 HA ILE 20 3.051 1.718 -5.402 140 HB ILE 20 HB ILE 20 4.016 -0.012 -3.907 141 HG12 ILE 20 HG12 ILE 20 4.771 1.848 -1.797 142 HG13 ILE 20 HG13 ILE 20 3.033 1.598 -1.885 143 HG21 ILE 20 HG21 ILE 20 6.234 0.996 -3.668 144 HG22 ILE 20 HG22 ILE 20 5.533 2.591 -3.942 145 HG23 ILE 20 HG23 ILE 20 5.504 1.381 -5.225 146 HD11 ILE 20 HD11 ILE 20 3.998 0.049 -0.336 147 HD12 ILE 20 HD12 ILE 20 5.142 -0.517 -1.553 148 HD13 ILE 20 HD13 ILE 20 3.416 -0.831 -1.749 149 H VAL 21 H VAL 21 2.077 -0.404 -5.159 150 HA VAL 21 HA VAL 21 -0.108 -0.532 -3.195 151 HB VAL 21 HB VAL 21 -1.114 -0.509 -5.357 152 HG11 VAL 21 HG11 VAL 21 0.901 -0.974 -6.664 153 HG12 VAL 21 HG12 VAL 21 -0.458 -1.977 -7.181 154 HG13 VAL 21 HG13 VAL 21 0.820 -2.669 -6.180 155 HG21 VAL 21 HG21 VAL 21 -2.050 -2.166 -3.844 156 HG22 VAL 21 HG22 VAL 21 -0.907 -3.373 -4.430 157 HG23 VAL 21 HG23 VAL 21 -2.143 -2.732 -5.511 158 HA PRO 22 HA PRO 22 2.875 -3.418 -1.558 159 HB2 PRO 22 HB2 PRO 22 0.780 -4.007 0.422 160 HB3 PRO 22 HB3 PRO 22 2.400 -3.372 0.664 161 HG2 PRO 22 HG2 PRO 22 0.236 -1.842 0.972 162 HG3 PRO 22 HG3 PRO 22 1.750 -1.196 0.305 163 HD2 PRO 22 HD2 PRO 22 -0.752 -2.008 -1.121 164 HD3 PRO 22 HD3 PRO 22 0.306 -0.610 -1.407 165 H ARG 23 H ARG 23 3.230 -5.589 -1.590 166 HA ARG 23 HA ARG 23 1.273 -7.385 -2.659 167 HB2 ARG 23 HB2 ARG 23 3.877 -7.922 -1.205 168 HB3 ARG 23 HB3 ARG 23 2.917 -9.144 -2.019 169 HG2 ARG 23 HG2 ARG 23 3.297 -8.027 -4.153 170 HG3 ARG 23 HG3 ARG 23 4.256 -6.791 -3.333 171 HD2 ARG 23 HD2 ARG 23 5.786 -8.561 -2.550 172 HD3 ARG 23 HD3 ARG 23 4.858 -9.742 -3.471 173 HE ARG 23 HE ARG 23 5.514 -7.957 -5.360 174 HH11 ARG 23 HH11 ARG 23 7.403 -9.605 -2.916 175 HH12 ARG 23 HH12 ARG 23 8.885 -9.547 -3.824 176 HH21 ARG 23 HH21 ARG 23 7.444 -7.919 -6.588 177 HH22 ARG 23 HH22 ARG 23 8.894 -8.604 -5.927 178 H LEU 24 H LEU 24 -0.508 -7.669 -1.438 179 HA LEU 24 HA LEU 24 -0.671 -6.995 1.242 180 HB2 LEU 24 HB2 LEU 24 -2.428 -7.716 -0.788 181 HB3 LEU 24 HB3 LEU 24 -2.744 -8.829 0.525 182 HG LEU 24 HG LEU 24 -4.142 -6.765 0.559 183 HD11 LEU 24 HD11 LEU 24 -3.832 -8.075 2.572 184 HD12 LEU 24 HD12 LEU 24 -3.874 -6.355 2.960 185 HD13 LEU 24 HD13 LEU 24 -2.334 -7.213 2.920 186 HD21 LEU 24 HD21 LEU 24 -2.344 -5.241 -0.226 187 HD22 LEU 24 HD22 LEU 24 -1.581 -5.392 1.358 188 HD23 LEU 24 HD23 LEU 24 -3.182 -4.671 1.214 189 HA PRO 25 HA PRO 25 -0.576 -11.837 2.265 190 HB2 PRO 25 HB2 PRO 25 1.505 -12.438 0.217 191 HB3 PRO 25 HB3 PRO 25 0.235 -13.483 0.861 192 HG2 PRO 25 HG2 PRO 25 -0.028 -12.441 -1.542 193 HG3 PRO 25 HG3 PRO 25 -1.417 -12.455 -0.436 194 HD2 PRO 25 HD2 PRO 25 0.413 -10.197 -1.150 195 HD3 PRO 25 HD3 PRO 25 -1.345 -10.198 -0.935 196 H ASP 26 H ASP 26 2.000 -9.690 1.272 197 HA ASP 26 HA ASP 26 3.703 -10.740 3.443 198 HB2 ASP 26 HB2 ASP 26 4.499 -9.339 0.888 199 HB3 ASP 26 HB3 ASP 26 5.618 -9.741 2.182 200 H TYR 27 H TYR 27 2.030 -8.041 2.223 201 HA TYR 27 HA TYR 27 1.852 -5.858 2.714 202 HB2 TYR 27 HB2 TYR 27 2.432 -7.112 5.317 203 HB3 TYR 27 HB3 TYR 27 2.702 -5.373 5.239 204 HD1 TYR 27 HD1 TYR 27 0.625 -4.298 3.627 205 HD2 TYR 27 HD2 TYR 27 0.416 -7.569 6.344 206 HE1 TYR 27 HE1 TYR 27 -1.776 -3.884 3.927 207 HE2 TYR 27 HE2 TYR 27 -1.991 -7.167 6.648 208 HH TYR 27 HH TYR 27 -3.779 -5.071 4.625 209 H ILE 28 H ILE 28 4.162 -6.538 1.336 210 HA ILE 28 HA ILE 28 6.103 -4.622 2.437 211 HB ILE 28 HB ILE 28 7.784 -5.725 0.968 212 HG12 ILE 28 HG12 ILE 28 5.622 -7.812 0.644 213 HG13 ILE 28 HG13 ILE 28 6.226 -6.755 -0.624 214 HG21 ILE 28 HG21 ILE 28 8.136 -7.659 2.417 215 HG22 ILE 28 HG22 ILE 28 6.497 -7.487 3.042 216 HG23 ILE 28 HG23 ILE 28 7.691 -6.223 3.336 217 HD11 ILE 28 HD11 ILE 28 7.806 -8.869 0.821 218 HD12 ILE 28 HD12 ILE 28 8.422 -7.804 -0.442 219 HD13 ILE 28 HD13 ILE 28 7.163 -8.978 -0.818 220 H CYS 29 H CYS 29 7.618 -4.120 0.348 221 HA CYS 29 HA CYS 29 5.949 -2.465 -1.361 222 HB2 CYS 29 HB2 CYS 29 7.994 -1.591 -0.252 223 HB3 CYS 29 HB3 CYS 29 8.952 -2.759 -1.133 224 HA PRO 30 HA PRO 30 6.342 -5.414 -4.677 225 HB2 PRO 30 HB2 PRO 30 5.358 -3.948 -6.693 226 HB3 PRO 30 HB3 PRO 30 4.321 -4.497 -5.372 227 HG2 PRO 30 HG2 PRO 30 5.546 -1.811 -5.827 228 HG3 PRO 30 HG3 PRO 30 3.922 -2.215 -5.248 229 HD2 PRO 30 HD2 PRO 30 6.031 -1.487 -3.629 230 HD3 PRO 30 HD3 PRO 30 4.627 -2.433 -3.086 231 H ARG 31 H ARG 31 8.035 -2.502 -4.388 232 HA ARG 31 HA ARG 31 9.635 -2.984 -6.780 233 HB2 ARG 31 HB2 ARG 31 10.067 -0.636 -5.006 234 HB3 ARG 31 HB3 ARG 31 10.203 -0.758 -6.750 235 HG2 ARG 31 HG2 ARG 31 7.597 -1.135 -6.542 236 HG3 ARG 31 HG3 ARG 31 7.841 -0.235 -5.054 237 HD2 ARG 31 HD2 ARG 31 7.288 1.286 -6.822 238 HD3 ARG 31 HD3 ARG 31 8.960 1.530 -6.338 239 HE ARG 31 HE ARG 31 8.779 -0.288 -8.518 240 HH11 ARG 31 HH11 ARG 31 8.658 3.112 -7.721 241 HH12 ARG 31 HH12 ARG 31 9.149 3.634 -9.294 242 HH21 ARG 31 HH21 ARG 31 9.448 0.390 -10.592 243 HH22 ARG 31 HH22 ARG 31 9.614 2.084 -10.929 244 H CYS 32 H CYS 32 10.088 -2.413 -3.251 245 HA CYS 32 HA CYS 32 12.807 -3.466 -3.647 246 HB2 CYS 32 HB2 CYS 32 13.615 -2.080 -1.841 247 HB3 CYS 32 HB3 CYS 32 12.799 -1.081 -3.033 248 H GLU 33 H GLU 33 9.868 -4.091 -2.180 249 HA GLU 33 HA GLU 33 9.122 -5.737 -0.801 250 HB2 GLU 33 HB2 GLU 33 11.857 -6.930 -1.290 251 HB3 GLU 33 HB3 GLU 33 10.435 -7.791 -0.719 252 HG2 GLU 33 HG2 GLU 33 9.326 -7.509 -2.801 253 HG3 GLU 33 HG3 GLU 33 10.556 -6.383 -3.371 254 H SER 34 H SER 34 10.176 -3.496 0.473 255 HA SER 34 HA SER 34 11.946 -4.415 2.581 256 HB2 SER 34 HB2 SER 34 12.558 -2.324 1.596 257 HB3 SER 34 HB3 SER 34 10.929 -1.684 1.791 258 HG SER 34 HG SER 34 12.525 -2.479 3.996 259 H GLY 35 H GLY 35 8.856 -2.612 2.452 260 HA2 GLY 35 HA2 GLY 35 7.023 -3.494 3.856 261 HA3 GLY 35 HA3 GLY 35 8.245 -3.734 5.091 262 H PHE 36 H PHE 36 9.568 -1.200 4.366 263 HA PHE 36 HA PHE 36 8.220 0.601 6.071 264 HB2 PHE 36 HB2 PHE 36 10.511 0.867 4.147 265 HB3 PHE 36 HB3 PHE 36 9.861 2.274 4.976 266 HD1 PHE 36 HD1 PHE 36 11.467 -1.009 5.495 267 HD2 PHE 36 HD2 PHE 36 10.390 2.731 7.188 268 HE1 PHE 36 HE1 PHE 36 12.872 -1.499 7.454 269 HE2 PHE 36 HE2 PHE 36 11.790 2.254 9.158 270 HZ PHE 36 HZ PHE 36 13.035 0.132 9.290 271 H ILE 37 H ILE 37 6.081 0.769 5.229 272 HA ILE 37 HA ILE 37 5.867 2.617 2.969 273 HB ILE 37 HB ILE 37 3.911 1.375 2.108 274 HG12 ILE 37 HG12 ILE 37 4.742 -0.635 4.199 275 HG13 ILE 37 HG13 ILE 37 3.174 0.110 3.988 276 HG21 ILE 37 HG21 ILE 37 5.970 1.115 0.965 277 HG22 ILE 37 HG22 ILE 37 5.238 -0.488 1.087 278 HG23 ILE 37 HG23 ILE 37 6.562 -0.038 2.164 279 HD11 ILE 37 HD11 ILE 37 3.189 -2.230 3.290 280 HD12 ILE 37 HD12 ILE 37 4.426 -1.861 2.090 281 HD13 ILE 37 HD13 ILE 37 2.820 -1.148 1.949 282 H GLU 38 H GLU 38 3.961 3.864 2.933 283 HA GLU 38 HA GLU 38 2.626 4.026 5.547 284 HB2 GLU 38 HB2 GLU 38 3.363 6.159 3.567 285 HB3 GLU 38 HB3 GLU 38 2.174 6.434 4.834 286 HG2 GLU 38 HG2 GLU 38 3.958 5.745 6.476 287 HG3 GLU 38 HG3 GLU 38 5.096 5.822 5.132 288 H GLU 39 H GLU 39 0.526 3.675 5.602 289 HA GLU 39 HA GLU 39 -0.960 3.278 3.164 290 HB2 GLU 39 HB2 GLU 39 -1.174 1.884 5.271 291 HB3 GLU 39 HB3 GLU 39 -1.969 3.256 6.015 292 HG2 GLU 39 HG2 GLU 39 -3.007 2.058 3.479 293 HG3 GLU 39 HG3 GLU 39 -3.401 1.365 5.049 294 H LEU 40 H LEU 40 -1.686 4.967 2.083 295 HA LEU 40 HA LEU 40 -1.750 7.565 3.309 296 HB2 LEU 40 HB2 LEU 40 -2.398 6.715 0.500 297 HB3 LEU 40 HB3 LEU 40 -2.202 8.369 1.037 298 HG LEU 40 HG LEU 40 -0.022 6.277 1.064 299 HD11 LEU 40 HD11 LEU 40 -0.627 6.832 -1.201 300 HD12 LEU 40 HD12 LEU 40 0.931 7.552 -0.792 301 HD13 LEU 40 HD13 LEU 40 -0.519 8.555 -0.835 302 HD21 LEU 40 HD21 LEU 40 1.453 8.198 1.484 303 HD22 LEU 40 HD22 LEU 40 0.292 7.952 2.787 304 HD23 LEU 40 HD23 LEU 40 0.037 9.241 1.612 Start of MODEL 2 1 H1 GLY -1 H1 GLY -1 -22.240 2.277 -5.439 2 H2 GLY -1 H2 GLY -1 -21.241 3.635 -5.298 3 H3 GLY -1 H3 GLY -1 -21.076 2.347 -4.216 4 HA2 GLY -1 HA3 GLY -1 -20.510 2.246 -7.125 5 HA3 GLY -1 HA2 GLY -1 -19.301 2.318 -5.849 6 H SER 0 H SER 0 -18.334 0.388 -5.772 7 HA SER 0 HA SER 0 -20.056 -1.951 -5.427 8 HB2 SER 0 HB2 SER 0 -18.379 -3.257 -6.836 9 HB3 SER 0 HB3 SER 0 -19.448 -2.162 -7.709 10 HG SER 0 HG SER 0 -17.129 -0.964 -6.884 11 H MET 1 H MET 1 -19.545 -1.574 -3.204 12 HA MET 1 HA MET 1 -18.530 -2.172 -1.270 13 HB2 MET 1 HB2 MET 1 -16.930 -3.988 -3.081 14 HB3 MET 1 HB3 MET 1 -16.956 -4.087 -1.325 15 HG2 MET 1 HG2 MET 1 -19.307 -4.634 -1.355 16 HG3 MET 1 HG3 MET 1 -19.359 -4.422 -3.103 17 HE1 MET 1 HE1 MET 1 -20.493 -6.806 -3.366 18 HE2 MET 1 HE2 MET 1 -20.449 -7.011 -1.616 19 HE3 MET 1 HE3 MET 1 -19.832 -8.284 -2.670 20 H ALA 2 H ALA 2 -17.584 0.179 -2.412 21 HA ALA 2 HA ALA 2 -14.679 0.102 -2.038 22 HB1 ALA 2 HB1 ALA 2 -16.448 2.318 -3.074 23 HB2 ALA 2 HB2 ALA 2 -15.469 1.227 -4.053 24 HB3 ALA 2 HB3 ALA 2 -14.689 2.372 -2.963 25 H GLU 3 H GLU 3 -17.651 1.361 -0.745 26 HA GLU 3 HA GLU 3 -16.204 2.629 1.423 27 HB2 GLU 3 HB2 GLU 3 -18.740 3.184 2.065 28 HB3 GLU 3 HB3 GLU 3 -17.808 4.168 0.953 29 HG2 GLU 3 HG2 GLU 3 -20.056 3.739 0.139 30 HG3 GLU 3 HG3 GLU 3 -18.831 3.078 -0.937 31 H ALA 4 H ALA 4 -18.351 -0.014 0.711 32 HA ALA 4 HA ALA 4 -18.822 -0.830 3.385 33 HB1 ALA 4 HB1 ALA 4 -19.602 -2.920 2.410 34 HB2 ALA 4 HB2 ALA 4 -18.887 -2.480 0.859 35 HB3 ALA 4 HB3 ALA 4 -20.235 -1.544 1.505 36 H SER 5 H SER 5 -17.277 -1.398 4.734 37 HA SER 5 HA SER 5 -15.379 -2.252 5.619 38 HB2 SER 5 HB2 SER 5 -15.452 -4.135 3.250 39 HB3 SER 5 HB3 SER 5 -14.512 -4.360 4.726 40 HG SER 5 HG SER 5 -16.700 -4.154 5.784 41 HA PRO 6 HA PRO 6 -12.924 0.612 2.938 42 HB2 PRO 6 HB2 PRO 6 -11.701 0.908 5.643 43 HB3 PRO 6 HB3 PRO 6 -12.123 2.149 4.457 44 HG2 PRO 6 HG2 PRO 6 -13.639 1.777 6.601 45 HG3 PRO 6 HG3 PRO 6 -14.377 2.112 5.023 46 HD2 PRO 6 HD2 PRO 6 -14.157 -0.474 6.506 47 HD3 PRO 6 HD3 PRO 6 -15.484 0.141 5.502 48 H HIS 7 H HIS 7 -10.945 0.247 2.067 49 HA HIS 7 HA HIS 7 -9.245 -1.797 3.257 50 HB2 HIS 7 HB2 HIS 7 -9.075 -2.908 0.969 51 HB3 HIS 7 HB3 HIS 7 -10.549 -3.191 1.871 52 HD1 HIS 7 HD1 HIS 7 -12.726 -2.491 0.810 53 HD2 HIS 7 HD2 HIS 7 -9.398 -1.144 -1.294 54 HE1 HIS 7 HE1 HIS 7 -13.614 -1.581 -1.358 55 HE2 HIS 7 HE2 HIS 7 -11.595 -0.742 -2.604 56 HA PRO 8 HA PRO 8 -6.290 1.078 1.708 57 HB2 PRO 8 HB2 PRO 8 -4.086 -0.118 2.667 58 HB3 PRO 8 HB3 PRO 8 -5.248 0.683 3.724 59 HG2 PRO 8 HG2 PRO 8 -4.790 -2.209 3.253 60 HG3 PRO 8 HG3 PRO 8 -5.345 -1.380 4.714 61 HD2 PRO 8 HD2 PRO 8 -6.939 -2.736 2.838 62 HD3 PRO 8 HD3 PRO 8 -7.508 -1.674 4.136 63 H GLY 9 H GLY 9 -4.466 1.191 0.260 64 HA2 GLY 9 HA2 GLY 9 -3.511 -1.087 -1.154 65 HA3 GLY 9 HA3 GLY 9 -4.752 -0.258 -2.088 66 H ARG 10 H ARG 10 -4.162 2.342 -1.146 67 HA ARG 10 HA ARG 10 -1.814 2.954 -2.696 68 HB2 ARG 10 HB2 ARG 10 -2.427 5.320 -2.130 69 HB3 ARG 10 HB3 ARG 10 -3.678 4.420 -2.973 70 HG2 ARG 10 HG2 ARG 10 -4.963 4.173 -1.021 71 HG3 ARG 10 HG3 ARG 10 -3.641 4.705 0.014 72 HD2 ARG 10 HD2 ARG 10 -4.656 6.704 -0.072 73 HD3 ARG 10 HD3 ARG 10 -3.936 6.821 -1.673 74 HE ARG 10 HE ARG 10 -6.495 5.509 -1.650 75 HH11 ARG 10 HH11 ARG 10 -4.848 8.590 -1.862 76 HH12 ARG 10 HH12 ARG 10 -6.162 9.381 -2.671 77 HH21 ARG 10 HH21 ARG 10 -8.232 6.556 -2.699 78 HH22 ARG 10 HH22 ARG 10 -8.084 8.223 -3.155 79 H TYR 11 H TYR 11 0.065 2.593 -1.769 80 HA TYR 11 HA TYR 11 0.455 3.549 0.989 81 HB2 TYR 11 HB2 TYR 11 1.469 1.110 -0.406 82 HB3 TYR 11 HB3 TYR 11 2.464 1.863 0.831 83 HD1 TYR 11 HD2 TYR 11 -1.031 0.619 0.321 84 HD2 TYR 11 HD1 TYR 11 2.212 1.223 3.004 85 HE1 TYR 11 HE2 TYR 11 -2.258 -0.587 2.082 86 HE2 TYR 11 HE1 TYR 11 1.010 0.025 4.761 87 HH TYR 11 HH TYR 11 -1.246 -0.595 5.363 88 H PHE 12 H PHE 12 2.610 4.321 1.461 89 HA PHE 12 HA PHE 12 4.059 5.204 -0.938 90 HB2 PHE 12 HB2 PHE 12 2.804 7.004 0.367 91 HB3 PHE 12 HB3 PHE 12 3.996 6.758 1.641 92 HD1 PHE 12 HD2 PHE 12 3.396 7.949 -1.738 93 HD2 PHE 12 HD1 PHE 12 6.285 7.457 1.343 94 HE1 PHE 12 HE2 PHE 12 4.925 9.459 -2.937 95 HE2 PHE 12 HE1 PHE 12 7.831 8.965 0.143 96 HZ PHE 12 HZ PHE 12 7.141 9.971 -1.996 97 H CYS 13 H CYS 13 5.868 4.092 -1.055 98 HA CYS 13 HA CYS 13 7.015 2.832 1.250 99 HB2 CYS 13 HB2 CYS 13 7.144 1.660 -0.848 100 HB3 CYS 13 HB3 CYS 13 7.942 3.025 -1.617 101 H HIS 14 H HIS 14 8.655 3.488 2.483 102 HA HIS 14 HA HIS 14 9.729 6.148 2.050 103 HB2 HIS 14 HB2 HIS 14 9.665 4.210 4.305 104 HB3 HIS 14 HB3 HIS 14 11.009 5.351 4.261 105 HD1 HIS 14 HD1 HIS 14 10.385 6.999 6.022 106 HD2 HIS 14 HD2 HIS 14 7.241 6.188 3.429 107 HE1 HIS 14 HE1 HIS 14 8.571 8.629 6.628 108 HE2 HIS 14 HE2 HIS 14 6.625 8.032 5.135 109 H CYS 15 H CYS 15 10.593 2.956 1.370 110 HA CYS 15 HA CYS 15 13.447 3.433 1.302 111 HB2 CYS 15 HB2 CYS 15 11.777 1.068 0.428 112 HB3 CYS 15 HB3 CYS 15 13.532 1.093 0.456 113 HG CYS 15 HG CYS 15 13.570 1.595 3.292 114 H CYS 16 H CYS 16 10.743 3.430 -0.890 115 HA CYS 16 HA CYS 16 12.562 3.916 -3.157 116 HB2 CYS 16 HB2 CYS 16 9.628 3.186 -3.167 117 HB3 CYS 16 HB3 CYS 16 10.601 3.487 -4.595 118 H SER 17 H SER 17 10.525 5.409 -0.996 119 HA SER 17 HA SER 17 9.382 7.329 -0.795 120 HB2 SER 17 HB2 SER 17 10.478 9.360 -1.660 121 HB3 SER 17 HB3 SER 17 11.604 8.282 -0.844 122 HG SER 17 HG SER 17 11.550 7.636 -3.436 123 H VAL 18 H VAL 18 8.175 5.670 -2.559 124 HA VAL 18 HA VAL 18 6.865 7.570 -4.359 125 HB VAL 18 HB VAL 18 6.705 5.919 -6.155 126 HG11 VAL 18 HG11 VAL 18 9.560 6.395 -5.318 127 HG12 VAL 18 HG12 VAL 18 8.544 7.517 -6.229 128 HG13 VAL 18 HG13 VAL 18 9.012 5.971 -6.939 129 HG21 VAL 18 HG21 VAL 18 8.043 3.875 -6.105 130 HG22 VAL 18 HG22 VAL 18 6.843 3.901 -4.813 131 HG23 VAL 18 HG23 VAL 18 8.534 4.242 -4.453 132 H GLU 19 H GLU 19 4.779 6.708 -5.145 133 HA GLU 19 HA GLU 19 3.386 5.413 -2.947 134 HB2 GLU 19 HB2 GLU 19 2.516 7.483 -4.066 135 HB3 GLU 19 HB3 GLU 19 2.246 6.530 -5.516 136 HG2 GLU 19 HG2 GLU 19 1.043 5.437 -3.079 137 HG3 GLU 19 HG3 GLU 19 0.401 6.992 -3.597 138 H ILE 20 H ILE 20 2.645 3.389 -2.971 139 HA ILE 20 HA ILE 20 3.012 1.775 -5.411 140 HB ILE 20 HB ILE 20 3.969 -0.040 -3.982 141 HG12 ILE 20 HG12 ILE 20 4.893 1.758 -1.893 142 HG13 ILE 20 HG13 ILE 20 3.144 1.589 -1.897 143 HG21 ILE 20 HG21 ILE 20 5.456 1.274 -5.351 144 HG22 ILE 20 HG22 ILE 20 6.231 0.924 -3.808 145 HG23 ILE 20 HG23 ILE 20 5.547 2.521 -4.108 146 HD11 ILE 20 HD11 ILE 20 5.177 -0.610 -1.671 147 HD12 ILE 20 HD12 ILE 20 3.437 -0.861 -1.808 148 HD13 ILE 20 HD13 ILE 20 4.098 -0.016 -0.407 149 H VAL 21 H VAL 21 2.018 -0.332 -5.263 150 HA VAL 21 HA VAL 21 -0.152 -0.529 -3.288 151 HB VAL 21 HB VAL 21 -1.171 -0.401 -5.436 152 HG11 VAL 21 HG11 VAL 21 0.813 -0.804 -6.793 153 HG12 VAL 21 HG12 VAL 21 -0.545 -1.796 -7.334 154 HG13 VAL 21 HG13 VAL 21 0.752 -2.519 -6.381 155 HG21 VAL 21 HG21 VAL 21 -2.110 -2.118 -3.998 156 HG22 VAL 21 HG22 VAL 21 -0.987 -3.307 -4.657 157 HG23 VAL 21 HG23 VAL 21 -2.227 -2.598 -5.692 158 HA PRO 22 HA PRO 22 2.895 -3.408 -1.770 159 HB2 PRO 22 HB2 PRO 22 0.820 -3.973 0.255 160 HB3 PRO 22 HB3 PRO 22 2.469 -3.403 0.468 161 HG2 PRO 22 HG2 PRO 22 0.409 -1.772 0.836 162 HG3 PRO 22 HG3 PRO 22 1.903 -1.200 0.070 163 HD2 PRO 22 HD2 PRO 22 -0.696 -1.973 -1.200 164 HD3 PRO 22 HD3 PRO 22 0.363 -0.592 -1.553 165 H ARG 23 H ARG 23 3.258 -5.572 -1.655 166 HA ARG 23 HA ARG 23 1.335 -7.382 -2.778 167 HB2 ARG 23 HB2 ARG 23 3.992 -7.862 -1.400 168 HB3 ARG 23 HB3 ARG 23 3.051 -9.109 -2.202 169 HG2 ARG 23 HG2 ARG 23 3.278 -7.892 -4.324 170 HG3 ARG 23 HG3 ARG 23 4.250 -6.672 -3.505 171 HD2 ARG 23 HD2 ARG 23 5.870 -8.441 -2.905 172 HD3 ARG 23 HD3 ARG 23 4.919 -9.588 -3.848 173 HE ARG 23 HE ARG 23 5.450 -7.535 -5.579 174 HH11 ARG 23 HH11 ARG 23 7.350 -9.746 -3.655 175 HH12 ARG 23 HH12 ARG 23 8.730 -9.679 -4.700 176 HH21 ARG 23 HH21 ARG 23 7.273 -7.434 -6.971 177 HH22 ARG 23 HH22 ARG 23 8.688 -8.366 -6.592 178 H LEU 24 H LEU 24 -0.421 -7.791 -1.585 179 HA LEU 24 HA LEU 24 -0.681 -6.914 1.011 180 HB2 LEU 24 HB2 LEU 24 -2.327 -8.018 -0.986 181 HB3 LEU 24 HB3 LEU 24 -2.677 -8.842 0.513 182 HG LEU 24 HG LEU 24 -4.103 -6.851 0.093 183 HD11 LEU 24 HD11 LEU 24 -2.331 -6.758 2.522 184 HD12 LEU 24 HD12 LEU 24 -3.830 -7.670 2.345 185 HD13 LEU 24 HD13 LEU 24 -3.866 -5.907 2.352 186 HD21 LEU 24 HD21 LEU 24 -2.343 -5.485 -0.983 187 HD22 LEU 24 HD22 LEU 24 -1.571 -5.293 0.593 188 HD23 LEU 24 HD23 LEU 24 -3.185 -4.638 0.314 189 HA PRO 25 HA PRO 25 -0.615 -11.627 2.511 190 HB2 PRO 25 HB2 PRO 25 1.570 -12.444 0.653 191 HB3 PRO 25 HB3 PRO 25 0.255 -13.413 1.327 192 HG2 PRO 25 HG2 PRO 25 0.128 -12.609 -1.174 193 HG3 PRO 25 HG3 PRO 25 -1.313 -12.503 -0.146 194 HD2 PRO 25 HD2 PRO 25 0.578 -10.341 -0.988 195 HD3 PRO 25 HD3 PRO 25 -1.188 -10.310 -0.864 196 H ASP 26 H ASP 26 2.099 -9.711 1.380 197 HA ASP 26 HA ASP 26 3.591 -10.423 3.818 198 HB2 ASP 26 HB2 ASP 26 4.553 -9.466 1.127 199 HB3 ASP 26 HB3 ASP 26 5.588 -9.489 2.550 200 H TYR 27 H TYR 27 1.908 -7.967 2.250 201 HA TYR 27 HA TYR 27 1.640 -5.741 2.498 202 HB2 TYR 27 HB2 TYR 27 2.196 -6.732 5.209 203 HB3 TYR 27 HB3 TYR 27 2.484 -5.011 4.991 204 HD1 TYR 27 HD1 TYR 27 0.351 -4.255 3.110 205 HD2 TYR 27 HD2 TYR 27 0.244 -6.884 6.456 206 HE1 TYR 27 HE1 TYR 27 -2.044 -3.788 3.395 207 HE2 TYR 27 HE2 TYR 27 -2.155 -6.429 6.743 208 HH TYR 27 HH TYR 27 -3.747 -4.538 6.159 209 H ILE 28 H ILE 28 4.093 -6.548 1.298 210 HA ILE 28 HA ILE 28 5.955 -4.521 2.336 211 HB ILE 28 HB ILE 28 7.688 -5.673 0.952 212 HG12 ILE 28 HG12 ILE 28 5.595 -7.847 0.746 213 HG13 ILE 28 HG13 ILE 28 6.099 -6.810 -0.581 214 HG21 ILE 28 HG21 ILE 28 6.386 -7.365 3.079 215 HG22 ILE 28 HG22 ILE 28 7.502 -6.028 3.359 216 HG23 ILE 28 HG23 ILE 28 8.058 -7.478 2.526 217 HD11 ILE 28 HD11 ILE 28 8.352 -7.721 -0.442 218 HD12 ILE 28 HD12 ILE 28 7.154 -8.989 -0.700 219 HD13 ILE 28 HD13 ILE 28 7.853 -8.749 0.900 220 H CYS 29 H CYS 29 7.551 -4.104 0.299 221 HA CYS 29 HA CYS 29 5.952 -2.484 -1.497 222 HB2 CYS 29 HB2 CYS 29 8.001 -1.660 -0.307 223 HB3 CYS 29 HB3 CYS 29 8.945 -2.811 -1.226 224 HA PRO 30 HA PRO 30 6.502 -5.500 -4.746 225 HB2 PRO 30 HB2 PRO 30 5.518 -4.104 -6.805 226 HB3 PRO 30 HB3 PRO 30 4.471 -4.645 -5.491 227 HG2 PRO 30 HG2 PRO 30 5.610 -1.940 -6.014 228 HG3 PRO 30 HG3 PRO 30 4.008 -2.380 -5.401 229 HD2 PRO 30 HD2 PRO 30 6.162 -1.549 -3.856 230 HD3 PRO 30 HD3 PRO 30 4.741 -2.428 -3.247 231 H ARG 31 H ARG 31 8.145 -2.627 -4.359 232 HA ARG 31 HA ARG 31 9.737 -2.939 -6.782 233 HB2 ARG 31 HB2 ARG 31 9.936 -0.635 -4.875 234 HB3 ARG 31 HB3 ARG 31 10.290 -0.677 -6.592 235 HG2 ARG 31 HG2 ARG 31 7.746 -1.148 -6.818 236 HG3 ARG 31 HG3 ARG 31 7.665 -0.484 -5.201 237 HD2 ARG 31 HD2 ARG 31 8.538 1.578 -5.899 238 HD3 ARG 31 HD3 ARG 31 9.008 0.947 -7.469 239 HE ARG 31 HE ARG 31 6.189 0.759 -7.020 240 HH11 ARG 31 HH11 ARG 31 8.759 2.929 -7.976 241 HH12 ARG 31 HH12 ARG 31 7.722 3.953 -8.915 242 HH21 ARG 31 HH21 ARG 31 4.811 2.113 -8.253 243 HH22 ARG 31 HH22 ARG 31 5.478 3.485 -9.078 244 H CYS 32 H CYS 32 10.149 -2.464 -3.243 245 HA CYS 32 HA CYS 32 12.892 -3.463 -3.608 246 HB2 CYS 32 HB2 CYS 32 13.624 -2.096 -1.750 247 HB3 CYS 32 HB3 CYS 32 12.828 -1.092 -2.954 248 H GLU 33 H GLU 33 9.932 -4.160 -2.209 249 HA GLU 33 HA GLU 33 9.176 -5.771 -0.790 250 HB2 GLU 33 HB2 GLU 33 11.883 -7.013 -1.306 251 HB3 GLU 33 HB3 GLU 33 10.457 -7.844 -0.706 252 HG2 GLU 33 HG2 GLU 33 9.315 -7.522 -2.785 253 HG3 GLU 33 HG3 GLU 33 10.616 -6.497 -3.391 254 H SER 34 H SER 34 10.250 -3.552 0.498 255 HA SER 34 HA SER 34 12.002 -4.551 2.593 256 HB2 SER 34 HB2 SER 34 12.813 -2.518 1.759 257 HB3 SER 34 HB3 SER 34 11.211 -1.786 1.693 258 HG SER 34 HG SER 34 12.762 -1.217 3.496 259 H GLY 35 H GLY 35 9.011 -2.599 2.464 260 HA2 GLY 35 HA2 GLY 35 7.138 -3.484 3.834 261 HA3 GLY 35 HA3 GLY 35 8.344 -3.729 5.083 262 H PHE 36 H PHE 36 9.695 -1.189 4.341 263 HA PHE 36 HA PHE 36 8.311 0.600 6.044 264 HB2 PHE 36 HB2 PHE 36 10.642 0.880 4.178 265 HB3 PHE 36 HB3 PHE 36 9.946 2.299 4.951 266 HD1 PHE 36 HD2 PHE 36 11.623 -0.924 5.581 267 HD2 PHE 36 HD1 PHE 36 10.334 2.786 7.200 268 HE1 PHE 36 HE2 PHE 36 12.955 -1.352 7.605 269 HE2 PHE 36 HE1 PHE 36 11.662 2.364 9.235 270 HZ PHE 36 HZ PHE 36 12.974 0.292 9.437 271 H ILE 37 H ILE 37 6.193 0.705 5.170 272 HA ILE 37 HA ILE 37 5.953 2.604 2.959 273 HB ILE 37 HB ILE 37 4.029 1.334 2.055 274 HG12 ILE 37 HG12 ILE 37 4.930 -0.749 4.049 275 HG13 ILE 37 HG13 ILE 37 3.356 0.006 3.940 276 HG21 ILE 37 HG21 ILE 37 5.425 -0.484 1.017 277 HG22 ILE 37 HG22 ILE 37 6.731 0.024 2.091 278 HG23 ILE 37 HG23 ILE 37 6.077 1.151 0.902 279 HD11 ILE 37 HD11 ILE 37 4.535 -1.864 1.900 280 HD12 ILE 37 HD12 ILE 37 2.935 -1.127 1.833 281 HD13 ILE 37 HD13 ILE 37 3.320 -2.282 3.108 282 H GLU 38 H GLU 38 4.074 3.872 2.992 283 HA GLU 38 HA GLU 38 2.745 3.899 5.616 284 HB2 GLU 38 HB2 GLU 38 3.451 6.156 3.758 285 HB3 GLU 38 HB3 GLU 38 2.342 6.349 5.111 286 HG2 GLU 38 HG2 GLU 38 4.222 5.487 6.577 287 HG3 GLU 38 HG3 GLU 38 5.271 5.705 5.176 288 H GLU 39 H GLU 39 0.671 3.513 5.663 289 HA GLU 39 HA GLU 39 -0.810 3.065 3.254 290 HB2 GLU 39 HB2 GLU 39 -0.970 1.750 5.417 291 HB3 GLU 39 HB3 GLU 39 -1.834 3.114 6.096 292 HG2 GLU 39 HG2 GLU 39 -2.825 1.890 3.575 293 HG3 GLU 39 HG3 GLU 39 -3.097 1.054 5.102 294 H LEU 40 H LEU 40 -1.446 4.754 2.108 295 HA LEU 40 HA LEU 40 -1.664 7.365 3.218 296 HB2 LEU 40 HB2 LEU 40 -2.401 6.346 0.490 297 HB3 LEU 40 HB3 LEU 40 -2.310 8.036 0.939 298 HG LEU 40 HG LEU 40 -0.003 6.095 0.878 299 HD11 LEU 40 HD11 LEU 40 0.796 7.414 -0.985 300 HD12 LEU 40 HD12 LEU 40 -0.643 8.428 -0.902 301 HD13 LEU 40 HD13 LEU 40 -0.788 6.725 -1.334 302 HD21 LEU 40 HD21 LEU 40 -0.090 9.031 1.549 303 HD22 LEU 40 HD22 LEU 40 1.382 8.101 1.280 304 HD23 LEU 40 HD23 LEU 40 0.330 7.711 2.640 Start of MODEL 3 1 H1 GLY -1 H1 GLY -1 -13.816 6.761 4.250 2 H2 GLY -1 H2 GLY -1 -12.963 7.189 5.641 3 H3 GLY -1 H3 GLY -1 -13.921 8.337 4.850 4 HA2 GLY -1 HA3 GLY -1 -15.002 7.512 6.860 5 HA3 GLY -1 HA2 GLY -1 -15.920 7.148 5.406 6 H SER 0 H SER 0 -16.598 5.640 7.447 7 HA SER 0 HA SER 0 -15.689 3.013 6.652 8 HB2 SER 0 HB2 SER 0 -15.315 3.978 9.502 9 HB3 SER 0 HB3 SER 0 -15.135 2.306 8.972 10 HG SER 0 HG SER 0 -13.675 3.914 7.394 11 H MET 1 H MET 1 -16.831 1.420 8.441 12 HA MET 1 HA MET 1 -18.737 0.532 9.254 13 HB2 MET 1 HB2 MET 1 -19.616 3.408 9.463 14 HB3 MET 1 HB3 MET 1 -20.555 2.051 10.063 15 HG2 MET 1 HG2 MET 1 -18.691 1.458 11.555 16 HG3 MET 1 HG3 MET 1 -17.815 2.877 10.986 17 HE1 MET 1 HE1 MET 1 -17.508 3.866 13.410 18 HE2 MET 1 HE2 MET 1 -18.260 2.399 14.033 19 HE3 MET 1 HE3 MET 1 -18.815 3.978 14.587 20 H ALA 2 H ALA 2 -20.333 3.243 7.609 21 HA ALA 2 HA ALA 2 -21.849 1.272 6.066 22 HB1 ALA 2 HB1 ALA 2 -23.121 2.933 7.356 23 HB2 ALA 2 HB2 ALA 2 -23.413 3.085 5.624 24 HB3 ALA 2 HB3 ALA 2 -22.346 4.226 6.441 25 H GLU 3 H GLU 3 -19.303 3.438 5.824 26 HA GLU 3 HA GLU 3 -19.568 3.985 3.020 27 HB2 GLU 3 HB2 GLU 3 -18.530 5.623 4.526 28 HB3 GLU 3 HB3 GLU 3 -17.278 4.466 4.939 29 HG2 GLU 3 HG2 GLU 3 -16.467 6.121 3.378 30 HG3 GLU 3 HG3 GLU 3 -16.453 4.514 2.657 31 H ALA 4 H ALA 4 -17.820 3.361 1.496 32 HA ALA 4 HA ALA 4 -17.478 0.610 1.297 33 HB1 ALA 4 HB1 ALA 4 -15.755 2.764 0.072 34 HB2 ALA 4 HB2 ALA 4 -17.280 2.172 -0.588 35 HB3 ALA 4 HB3 ALA 4 -15.889 1.093 -0.480 36 H SER 5 H SER 5 -15.996 -0.802 1.958 37 HA SER 5 HA SER 5 -14.613 -0.410 4.309 38 HB2 SER 5 HB2 SER 5 -14.075 -2.487 2.180 39 HB3 SER 5 HB3 SER 5 -13.607 -2.597 3.875 40 HG SER 5 HG SER 5 -15.895 -2.419 4.359 41 HA PRO 6 HA PRO 6 -10.997 1.787 2.771 42 HB2 PRO 6 HB2 PRO 6 -10.149 1.735 5.569 43 HB3 PRO 6 HB3 PRO 6 -10.535 3.120 4.546 44 HG2 PRO 6 HG2 PRO 6 -12.109 2.341 6.601 45 HG3 PRO 6 HG3 PRO 6 -12.750 3.107 5.137 46 HD2 PRO 6 HD2 PRO 6 -12.733 0.217 5.912 47 HD3 PRO 6 HD3 PRO 6 -14.006 1.168 5.119 48 H HIS 7 H HIS 7 -10.686 -0.600 1.991 49 HA HIS 7 HA HIS 7 -8.781 -2.146 3.463 50 HB2 HIS 7 HB2 HIS 7 -8.651 -3.545 1.452 51 HB3 HIS 7 HB3 HIS 7 -10.315 -3.235 1.894 52 HD1 HIS 7 HD1 HIS 7 -11.751 -1.850 0.240 53 HD2 HIS 7 HD2 HIS 7 -7.822 -2.445 -0.991 54 HE1 HIS 7 HE1 HIS 7 -11.687 -1.179 -2.183 55 HE2 HIS 7 HE2 HIS 7 -9.328 -1.644 -2.933 56 HA PRO 8 HA PRO 8 -5.241 0.309 2.469 57 HB2 PRO 8 HB2 PRO 8 -3.712 -2.188 2.862 58 HB3 PRO 8 HB3 PRO 8 -3.577 -0.642 3.705 59 HG2 PRO 8 HG2 PRO 8 -4.646 -2.787 4.880 60 HG3 PRO 8 HG3 PRO 8 -5.255 -1.153 5.196 61 HD2 PRO 8 HD2 PRO 8 -6.411 -3.309 3.479 62 HD3 PRO 8 HD3 PRO 8 -7.230 -2.129 4.524 63 H GLY 9 H GLY 9 -4.731 0.849 0.440 64 HA2 GLY 9 HA2 GLY 9 -3.786 -1.270 -1.356 65 HA3 GLY 9 HA3 GLY 9 -5.079 -0.216 -1.906 66 H ARG 10 H ARG 10 -4.361 2.204 -1.048 67 HA ARG 10 HA ARG 10 -2.020 2.814 -2.615 68 HB2 ARG 10 HB2 ARG 10 -2.593 5.183 -1.986 69 HB3 ARG 10 HB3 ARG 10 -3.835 4.328 -2.873 70 HG2 ARG 10 HG2 ARG 10 -5.235 4.186 -1.068 71 HG3 ARG 10 HG3 ARG 10 -3.927 4.369 0.100 72 HD2 ARG 10 HD2 ARG 10 -4.861 6.450 0.205 73 HD3 ARG 10 HD3 ARG 10 -3.679 6.686 -1.077 74 HE ARG 10 HE ARG 10 -6.279 5.904 -2.026 75 HH11 ARG 10 HH11 ARG 10 -4.220 8.588 -1.138 76 HH12 ARG 10 HH12 ARG 10 -5.092 9.743 -2.093 77 HH21 ARG 10 HH21 ARG 10 -7.449 7.429 -3.270 78 HH22 ARG 10 HH22 ARG 10 -6.937 9.088 -3.290 79 H TYR 11 H TYR 11 -0.083 2.599 -1.758 80 HA TYR 11 HA TYR 11 0.334 3.554 0.996 81 HB2 TYR 11 HB2 TYR 11 1.375 1.100 -0.360 82 HB3 TYR 11 HB3 TYR 11 2.376 1.905 0.840 83 HD1 TYR 11 HD1 TYR 11 -1.133 0.667 0.444 84 HD2 TYR 11 HD2 TYR 11 2.214 1.222 3.011 85 HE1 TYR 11 HE1 TYR 11 -2.318 -0.519 2.251 86 HE2 TYR 11 HE2 TYR 11 1.052 0.040 4.811 87 HH TYR 11 HH TYR 11 -1.252 -0.497 5.482 88 H PHE 12 H PHE 12 2.559 4.252 1.402 89 HA PHE 12 HA PHE 12 3.934 5.177 -1.023 90 HB2 PHE 12 HB2 PHE 12 2.651 6.953 0.321 91 HB3 PHE 12 HB3 PHE 12 3.896 6.746 1.548 92 HD1 PHE 12 HD2 PHE 12 3.178 7.827 -1.858 93 HD2 PHE 12 HD1 PHE 12 6.104 7.599 1.216 94 HE1 PHE 12 HE2 PHE 12 4.610 9.396 -3.114 95 HE2 PHE 12 HE1 PHE 12 7.554 9.166 -0.032 96 HZ PHE 12 HZ PHE 12 6.794 10.070 -2.196 97 H CYS 13 H CYS 13 5.782 4.092 -1.129 98 HA CYS 13 HA CYS 13 6.912 2.842 1.191 99 HB2 CYS 13 HB2 CYS 13 7.079 1.676 -0.910 100 HB3 CYS 13 HB3 CYS 13 7.884 3.047 -1.658 101 H HIS 14 H HIS 14 8.533 3.504 2.439 102 HA HIS 14 HA HIS 14 9.558 6.188 2.016 103 HB2 HIS 14 HB2 HIS 14 9.439 4.284 4.296 104 HB3 HIS 14 HB3 HIS 14 10.754 5.458 4.293 105 HD1 HIS 14 HD1 HIS 14 9.903 6.965 6.146 106 HD2 HIS 14 HD2 HIS 14 7.103 6.346 3.136 107 HE1 HIS 14 HE1 HIS 14 8.037 8.582 6.614 108 HE2 HIS 14 HE2 HIS 14 6.426 8.292 4.700 109 H CYS 15 H CYS 15 10.483 3.032 1.347 110 HA CYS 15 HA CYS 15 13.334 3.541 1.344 111 HB2 CYS 15 HB2 CYS 15 11.737 1.188 0.306 112 HB3 CYS 15 HB3 CYS 15 13.481 1.231 0.499 113 HG CYS 15 HG CYS 15 13.084 1.798 3.366 114 H CYS 16 H CYS 16 10.657 3.445 -0.902 115 HA CYS 16 HA CYS 16 12.461 4.016 -3.153 116 HB2 CYS 16 HB2 CYS 16 9.536 3.253 -3.150 117 HB3 CYS 16 HB3 CYS 16 10.490 3.585 -4.581 118 H SER 17 H SER 17 10.422 5.500 -0.979 119 HA SER 17 HA SER 17 9.231 7.395 -0.795 120 HB2 SER 17 HB2 SER 17 10.303 9.452 -1.697 121 HB3 SER 17 HB3 SER 17 11.392 8.430 -0.768 122 HG SER 17 HG SER 17 11.552 7.651 -3.296 123 H VAL 18 H VAL 18 8.155 5.692 -2.676 124 HA VAL 18 HA VAL 18 6.798 7.626 -4.411 125 HB VAL 18 HB VAL 18 6.677 6.056 -6.260 126 HG11 VAL 18 HG11 VAL 18 8.988 6.090 -7.013 127 HG12 VAL 18 HG12 VAL 18 9.528 6.419 -5.366 128 HG13 VAL 18 HG13 VAL 18 8.555 7.611 -6.231 129 HG21 VAL 18 HG21 VAL 18 8.411 4.261 -4.578 130 HG22 VAL 18 HG22 VAL 18 7.995 3.983 -6.268 131 HG23 VAL 18 HG23 VAL 18 6.734 3.972 -5.036 132 H GLU 19 H GLU 19 4.738 6.794 -5.224 133 HA GLU 19 HA GLU 19 3.277 5.557 -3.059 134 HB2 GLU 19 HB2 GLU 19 2.588 7.517 -4.721 135 HB3 GLU 19 HB3 GLU 19 1.999 6.172 -5.684 136 HG2 GLU 19 HG2 GLU 19 0.802 5.449 -3.548 137 HG3 GLU 19 HG3 GLU 19 1.131 7.074 -2.972 138 H ILE 20 H ILE 20 2.603 3.494 -2.991 139 HA ILE 20 HA ILE 20 2.993 1.797 -5.372 140 HB ILE 20 HB ILE 20 3.958 0.033 -3.924 141 HG12 ILE 20 HG12 ILE 20 4.774 1.837 -1.790 142 HG13 ILE 20 HG13 ILE 20 3.030 1.617 -1.854 143 HG21 ILE 20 HG21 ILE 20 5.489 2.624 -3.981 144 HG22 ILE 20 HG22 ILE 20 5.468 1.376 -5.229 145 HG23 ILE 20 HG23 ILE 20 6.193 1.040 -3.657 146 HD11 ILE 20 HD11 ILE 20 3.979 0.015 -0.358 147 HD12 ILE 20 HD12 ILE 20 5.114 -0.531 -1.593 148 HD13 ILE 20 HD13 ILE 20 3.386 -0.826 -1.790 149 H VAL 21 H VAL 21 2.020 -0.319 -5.145 150 HA VAL 21 HA VAL 21 -0.151 -0.468 -3.161 151 HB VAL 21 HB VAL 21 -1.178 -0.419 -5.314 152 HG11 VAL 21 HG11 VAL 21 0.827 -0.853 -6.645 153 HG12 VAL 21 HG12 VAL 21 -0.535 -1.845 -7.171 154 HG13 VAL 21 HG13 VAL 21 0.752 -2.558 -6.197 155 HG21 VAL 21 HG21 VAL 21 -2.111 -2.100 -3.836 156 HG22 VAL 21 HG22 VAL 21 -0.952 -3.292 -4.424 157 HG23 VAL 21 HG23 VAL 21 -2.188 -2.655 -5.508 158 HA PRO 22 HA PRO 22 2.838 -3.379 -1.577 159 HB2 PRO 22 HB2 PRO 22 0.710 -3.979 0.377 160 HB3 PRO 22 HB3 PRO 22 2.351 -3.399 0.648 161 HG2 PRO 22 HG2 PRO 22 0.269 -1.791 0.980 162 HG3 PRO 22 HG3 PRO 22 1.778 -1.195 0.263 163 HD2 PRO 22 HD2 PRO 22 -0.776 -1.978 -1.092 164 HD3 PRO 22 HD3 PRO 22 0.273 -0.575 -1.390 165 H ARG 23 H ARG 23 3.208 -5.531 -1.628 166 HA ARG 23 HA ARG 23 1.260 -7.324 -2.722 167 HB2 ARG 23 HB2 ARG 23 3.912 -7.850 -1.347 168 HB3 ARG 23 HB3 ARG 23 2.972 -9.058 -2.203 169 HG2 ARG 23 HG2 ARG 23 3.266 -7.813 -4.286 170 HG3 ARG 23 HG3 ARG 23 4.191 -6.587 -3.422 171 HD2 ARG 23 HD2 ARG 23 5.819 -8.340 -2.787 172 HD3 ARG 23 HD3 ARG 23 4.921 -9.490 -3.772 173 HE ARG 23 HE ARG 23 5.501 -7.421 -5.475 174 HH11 ARG 23 HH11 ARG 23 7.346 -9.605 -3.459 175 HH12 ARG 23 HH12 ARG 23 8.766 -9.544 -4.454 176 HH21 ARG 23 HH21 ARG 23 7.370 -7.334 -6.804 177 HH22 ARG 23 HH22 ARG 23 8.773 -8.264 -6.375 178 H LEU 24 H LEU 24 -0.494 -7.677 -1.486 179 HA LEU 24 HA LEU 24 -0.680 -6.871 1.140 180 HB2 LEU 24 HB2 LEU 24 -2.410 -7.741 -0.831 181 HB3 LEU 24 HB3 LEU 24 -2.688 -8.824 0.514 182 HG LEU 24 HG LEU 24 -4.168 -6.822 0.474 183 HD11 LEU 24 HD11 LEU 24 -3.792 -8.055 2.536 184 HD12 LEU 24 HD12 LEU 24 -3.953 -6.327 2.854 185 HD13 LEU 24 HD13 LEU 24 -2.359 -7.081 2.864 186 HD21 LEU 24 HD21 LEU 24 -1.680 -5.311 1.245 187 HD22 LEU 24 HD22 LEU 24 -3.310 -4.666 1.047 188 HD23 LEU 24 HD23 LEU 24 -2.421 -5.258 -0.354 189 HA PRO 25 HA PRO 25 -0.624 -11.589 2.553 190 HB2 PRO 25 HB2 PRO 25 1.357 -12.502 0.526 191 HB3 PRO 25 HB3 PRO 25 0.034 -13.396 1.280 192 HG2 PRO 25 HG2 PRO 25 -0.216 -12.555 -1.199 193 HG3 PRO 25 HG3 PRO 25 -1.574 -12.366 -0.071 194 HD2 PRO 25 HD2 PRO 25 0.412 -10.321 -0.994 195 HD3 PRO 25 HD3 PRO 25 -1.342 -10.177 -0.794 196 H ASP 26 H ASP 26 2.062 -9.723 1.279 197 HA ASP 26 HA ASP 26 3.716 -10.624 3.548 198 HB2 ASP 26 HB2 ASP 26 4.482 -9.527 0.849 199 HB3 ASP 26 HB3 ASP 26 5.617 -9.559 2.192 200 H TYR 27 H TYR 27 2.012 -8.014 2.249 201 HA TYR 27 HA TYR 27 1.828 -5.806 2.656 202 HB2 TYR 27 HB2 TYR 27 2.444 -6.995 5.281 203 HB3 TYR 27 HB3 TYR 27 2.699 -5.257 5.164 204 HD1 TYR 27 HD2 TYR 27 0.582 -4.302 3.487 205 HD2 TYR 27 HD1 TYR 27 0.462 -7.392 6.409 206 HE1 TYR 27 HE2 TYR 27 -1.820 -3.904 3.794 207 HE2 TYR 27 HE1 TYR 27 -1.947 -7.006 6.722 208 HH TYR 27 HH TYR 27 -3.557 -5.081 6.392 209 H ILE 28 H ILE 28 4.140 -6.503 1.279 210 HA ILE 28 HA ILE 28 6.054 -4.542 2.348 211 HB ILE 28 HB ILE 28 7.759 -5.675 0.909 212 HG12 ILE 28 HG12 ILE 28 5.622 -7.810 0.716 213 HG13 ILE 28 HG13 ILE 28 6.202 -6.817 -0.613 214 HG21 ILE 28 HG21 ILE 28 7.678 -6.048 3.305 215 HG22 ILE 28 HG22 ILE 28 8.146 -7.524 2.462 216 HG23 ILE 28 HG23 ILE 28 6.503 -7.346 3.082 217 HD11 ILE 28 HD11 ILE 28 8.409 -7.819 -0.400 218 HD12 ILE 28 HD12 ILE 28 7.167 -9.038 -0.673 219 HD13 ILE 28 HD13 ILE 28 7.833 -8.807 0.942 220 H CYS 29 H CYS 29 7.586 -4.090 0.261 221 HA CYS 29 HA CYS 29 5.913 -2.454 -1.455 222 HB2 CYS 29 HB2 CYS 29 7.962 -1.593 -0.333 223 HB3 CYS 29 HB3 CYS 29 8.913 -2.753 -1.233 224 HA PRO 30 HA PRO 30 6.293 -5.411 -4.763 225 HB2 PRO 30 HB2 PRO 30 5.419 -3.889 -6.808 226 HB3 PRO 30 HB3 PRO 30 4.324 -4.475 -5.551 227 HG2 PRO 30 HG2 PRO 30 5.553 -1.776 -5.890 228 HG3 PRO 30 HG3 PRO 30 3.915 -2.202 -5.366 229 HD2 PRO 30 HD2 PRO 30 5.967 -1.492 -3.674 230 HD3 PRO 30 HD3 PRO 30 4.561 -2.469 -3.193 231 H ARG 31 H ARG 31 7.935 -2.418 -4.550 232 HA ARG 31 HA ARG 31 9.611 -2.941 -6.863 233 HB2 ARG 31 HB2 ARG 31 10.033 -0.626 -5.031 234 HB3 ARG 31 HB3 ARG 31 10.249 -0.725 -6.770 235 HG2 ARG 31 HG2 ARG 31 7.582 -1.101 -6.553 236 HG3 ARG 31 HG3 ARG 31 7.886 -0.037 -5.187 237 HD2 ARG 31 HD2 ARG 31 7.387 1.336 -7.051 238 HD3 ARG 31 HD3 ARG 31 9.114 1.471 -6.743 239 HE ARG 31 HE ARG 31 8.404 -0.520 -8.707 240 HH11 ARG 31 HH11 ARG 31 9.296 2.826 -8.170 241 HH12 ARG 31 HH12 ARG 31 9.781 3.088 -9.815 242 HH21 ARG 31 HH21 ARG 31 9.064 -0.178 -10.857 243 HH22 ARG 31 HH22 ARG 31 9.663 1.379 -11.335 244 H CYS 32 H CYS 32 10.026 -2.431 -3.320 245 HA CYS 32 HA CYS 32 12.745 -3.484 -3.702 246 HB2 CYS 32 HB2 CYS 32 13.544 -2.104 -1.894 247 HB3 CYS 32 HB3 CYS 32 12.724 -1.099 -3.079 248 H GLU 33 H GLU 33 9.801 -4.124 -2.239 249 HA GLU 33 HA GLU 33 9.064 -5.780 -0.862 250 HB2 GLU 33 HB2 GLU 33 11.801 -6.954 -1.382 251 HB3 GLU 33 HB3 GLU 33 10.400 -7.826 -0.780 252 HG2 GLU 33 HG2 GLU 33 9.249 -7.554 -2.851 253 HG3 GLU 33 HG3 GLU 33 10.486 -6.450 -3.452 254 H SER 34 H SER 34 10.287 -3.519 0.369 255 HA SER 34 HA SER 34 12.025 -4.525 2.453 256 HB2 SER 34 HB2 SER 34 12.764 -2.503 1.447 257 HB3 SER 34 HB3 SER 34 11.193 -1.732 1.654 258 HG SER 34 HG SER 34 13.116 -1.394 3.222 259 H GLY 35 H GLY 35 9.041 -2.559 2.396 260 HA2 GLY 35 HA2 GLY 35 7.200 -3.490 3.781 261 HA3 GLY 35 HA3 GLY 35 8.424 -3.729 5.013 262 H PHE 36 H PHE 36 9.699 -1.127 4.245 263 HA PHE 36 HA PHE 36 8.224 0.584 5.980 264 HB2 PHE 36 HB2 PHE 36 10.630 0.948 4.234 265 HB3 PHE 36 HB3 PHE 36 9.834 2.359 4.920 266 HD1 PHE 36 HD2 PHE 36 11.664 -0.730 5.719 267 HD2 PHE 36 HD1 PHE 36 9.985 2.881 7.209 268 HE1 PHE 36 HE2 PHE 36 12.866 -1.056 7.843 269 HE2 PHE 36 HE1 PHE 36 11.183 2.565 9.339 270 HZ PHE 36 HZ PHE 36 12.625 0.593 9.657 271 H ILE 37 H ILE 37 6.151 0.693 5.114 272 HA ILE 37 HA ILE 37 5.885 2.551 2.874 273 HB ILE 37 HB ILE 37 3.975 1.237 1.997 274 HG12 ILE 37 HG12 ILE 37 4.933 -0.788 4.020 275 HG13 ILE 37 HG13 ILE 37 3.337 -0.086 3.887 276 HG21 ILE 37 HG21 ILE 37 5.391 -0.535 0.939 277 HG22 ILE 37 HG22 ILE 37 6.693 -0.038 2.023 278 HG23 ILE 37 HG23 ILE 37 6.038 1.105 0.849 279 HD11 ILE 37 HD11 ILE 37 2.932 -1.290 1.839 280 HD12 ILE 37 HD12 ILE 37 3.420 -2.407 3.111 281 HD13 ILE 37 HD13 ILE 37 4.573 -1.934 1.863 282 H GLU 38 H GLU 38 4.058 3.845 2.941 283 HA GLU 38 HA GLU 38 2.771 3.888 5.584 284 HB2 GLU 38 HB2 GLU 38 3.426 6.136 3.704 285 HB3 GLU 38 HB3 GLU 38 2.487 6.325 5.181 286 HG2 GLU 38 HG2 GLU 38 5.365 5.504 4.922 287 HG3 GLU 38 HG3 GLU 38 4.719 6.979 5.629 288 H GLU 39 H GLU 39 0.727 3.327 5.583 289 HA GLU 39 HA GLU 39 -0.884 3.147 3.251 290 HB2 GLU 39 HB2 GLU 39 -1.033 1.751 5.366 291 HB3 GLU 39 HB3 GLU 39 -1.798 3.130 6.129 292 HG2 GLU 39 HG2 GLU 39 -2.924 1.969 3.621 293 HG3 GLU 39 HG3 GLU 39 -3.243 1.218 5.181 294 H LEU 40 H LEU 40 -1.716 4.815 2.237 295 HA LEU 40 HA LEU 40 -1.711 7.422 3.445 296 HB2 LEU 40 HB2 LEU 40 -2.619 6.524 0.723 297 HB3 LEU 40 HB3 LEU 40 -2.442 8.190 1.223 298 HG LEU 40 HG LEU 40 -0.189 6.191 1.007 299 HD11 LEU 40 HD11 LEU 40 -0.969 8.481 -0.773 300 HD12 LEU 40 HD12 LEU 40 -1.040 6.763 -1.165 301 HD13 LEU 40 HD13 LEU 40 0.519 7.543 -0.902 302 HD21 LEU 40 HD21 LEU 40 -0.182 9.141 1.626 303 HD22 LEU 40 HD22 LEU 40 1.251 8.164 1.314 304 HD23 LEU 40 HD23 LEU 40 0.254 7.837 2.730 Start of MODEL 4 1 H1 GLY -1 H1 GLY -1 -26.792 -2.422 -6.049 2 H2 GLY -1 H2 GLY -1 -26.556 -3.801 -6.996 3 H3 GLY -1 H3 GLY -1 -27.403 -2.482 -7.626 4 HA2 GLY -1 HA3 GLY -1 -25.172 -2.556 -8.528 5 HA3 GLY -1 HA2 GLY -1 -25.422 -1.120 -7.545 6 H SER 0 H SER 0 -24.297 -0.871 -5.641 7 HA SER 0 HA SER 0 -22.664 -3.034 -4.632 8 HB2 SER 0 HB2 SER 0 -21.284 -2.028 -6.454 9 HB3 SER 0 HB3 SER 0 -21.363 -0.481 -5.616 10 HG SER 0 HG SER 0 -19.693 -2.531 -5.198 11 H MET 1 H MET 1 -22.483 -2.884 -2.482 12 HA MET 1 HA MET 1 -23.516 -0.528 -1.136 13 HB2 MET 1 HB2 MET 1 -22.521 -3.178 -0.074 14 HB3 MET 1 HB3 MET 1 -23.147 -1.885 0.937 15 HG2 MET 1 HG2 MET 1 -25.306 -2.049 -0.185 16 HG3 MET 1 HG3 MET 1 -24.678 -3.340 -1.206 17 HE1 MET 1 HE1 MET 1 -24.099 -5.746 -0.381 18 HE2 MET 1 HE2 MET 1 -24.134 -6.255 1.306 19 HE3 MET 1 HE3 MET 1 -22.933 -5.083 0.764 20 H ALA 2 H ALA 2 -22.304 0.985 -0.111 21 HA ALA 2 HA ALA 2 -19.422 0.814 -0.538 22 HB1 ALA 2 HB1 ALA 2 -20.579 2.828 -1.302 23 HB2 ALA 2 HB2 ALA 2 -19.397 3.204 -0.047 24 HB3 ALA 2 HB3 ALA 2 -21.115 3.148 0.348 25 H GLU 3 H GLU 3 -21.370 -0.244 1.741 26 HA GLU 3 HA GLU 3 -20.330 0.793 4.140 27 HB2 GLU 3 HB2 GLU 3 -22.448 -0.503 3.960 28 HB3 GLU 3 HB3 GLU 3 -21.503 -1.952 3.652 29 HG2 GLU 3 HG2 GLU 3 -22.191 -1.936 5.939 30 HG3 GLU 3 HG3 GLU 3 -20.447 -1.695 5.865 31 H ALA 4 H ALA 4 -19.381 -1.855 2.044 32 HA ALA 4 HA ALA 4 -17.290 -2.741 3.827 33 HB1 ALA 4 HB1 ALA 4 -16.798 -4.393 2.110 34 HB2 ALA 4 HB2 ALA 4 -17.905 -3.590 0.998 35 HB3 ALA 4 HB3 ALA 4 -18.527 -4.360 2.458 36 H SER 5 H SER 5 -15.288 -1.967 3.855 37 HA SER 5 HA SER 5 -14.444 -0.037 1.889 38 HB2 SER 5 HB2 SER 5 -12.295 -0.107 3.314 39 HB3 SER 5 HB3 SER 5 -13.760 0.504 4.079 40 HG SER 5 HG SER 5 -13.770 -1.141 5.396 41 HA PRO 6 HA PRO 6 -12.558 -3.043 -0.737 42 HB2 PRO 6 HB2 PRO 6 -11.200 -1.385 -2.369 43 HB3 PRO 6 HB3 PRO 6 -12.961 -1.532 -2.420 44 HG2 PRO 6 HG2 PRO 6 -11.273 0.552 -1.088 45 HG3 PRO 6 HG3 PRO 6 -12.744 0.756 -2.056 46 HD2 PRO 6 HD2 PRO 6 -12.745 0.782 0.659 47 HD3 PRO 6 HD3 PRO 6 -14.126 0.219 -0.296 48 H HIS 7 H HIS 7 -11.056 -1.641 1.714 49 HA HIS 7 HA HIS 7 -9.140 -2.104 2.822 50 HB2 HIS 7 HB2 HIS 7 -9.289 -4.359 2.039 51 HB3 HIS 7 HB3 HIS 7 -8.640 -3.934 0.470 52 HD1 HIS 7 HD1 HIS 7 -6.061 -3.567 0.334 53 HD2 HIS 7 HD2 HIS 7 -7.447 -4.801 4.051 54 HE1 HIS 7 HE1 HIS 7 -4.016 -4.251 1.627 55 HE2 HIS 7 HE2 HIS 7 -4.886 -5.112 3.831 56 HA PRO 8 HA PRO 8 -6.562 1.148 1.388 57 HB2 PRO 8 HB2 PRO 8 -4.407 -0.076 3.002 58 HB3 PRO 8 HB3 PRO 8 -5.130 1.530 3.126 59 HG2 PRO 8 HG2 PRO 8 -5.635 -0.361 4.939 60 HG3 PRO 8 HG3 PRO 8 -6.893 0.780 4.423 61 HD2 PRO 8 HD2 PRO 8 -6.471 -2.073 3.623 62 HD3 PRO 8 HD3 PRO 8 -7.990 -1.222 3.965 63 H GLY 9 H GLY 9 -5.162 1.490 -0.267 64 HA2 GLY 9 HA2 GLY 9 -3.594 -0.801 -1.219 65 HA3 GLY 9 HA3 GLY 9 -4.728 -0.024 -2.311 66 H ARG 10 H ARG 10 -4.293 2.639 -1.445 67 HA ARG 10 HA ARG 10 -1.857 3.233 -2.825 68 HB2 ARG 10 HB2 ARG 10 -2.417 5.606 -2.212 69 HB3 ARG 10 HB3 ARG 10 -3.653 4.769 -3.139 70 HG2 ARG 10 HG2 ARG 10 -5.096 4.636 -1.353 71 HG3 ARG 10 HG3 ARG 10 -3.812 4.828 -0.161 72 HD2 ARG 10 HD2 ARG 10 -4.526 6.949 -0.051 73 HD3 ARG 10 HD3 ARG 10 -3.638 7.147 -1.558 74 HE ARG 10 HE ARG 10 -5.875 6.557 -2.633 75 HH11 ARG 10 HH11 ARG 10 -5.545 8.231 0.421 76 HH12 ARG 10 HH12 ARG 10 -7.019 9.126 0.233 77 HH21 ARG 10 HH21 ARG 10 -7.825 7.734 -2.881 78 HH22 ARG 10 HH22 ARG 10 -8.315 8.845 -1.644 79 H TYR 11 H TYR 11 -0.040 2.714 -1.819 80 HA TYR 11 HA TYR 11 0.350 3.733 0.918 81 HB2 TYR 11 HB2 TYR 11 1.275 1.217 -0.398 82 HB3 TYR 11 HB3 TYR 11 2.320 1.973 0.797 83 HD1 TYR 11 HD2 TYR 11 -1.233 0.868 0.381 84 HD2 TYR 11 HD1 TYR 11 2.075 1.426 2.998 85 HE1 TYR 11 HE2 TYR 11 -2.500 -0.190 2.211 86 HE2 TYR 11 HE1 TYR 11 0.834 0.376 4.822 87 HH TYR 11 HH TYR 11 -2.084 -1.335 4.325 88 H PHE 12 H PHE 12 2.606 4.327 1.395 89 HA PHE 12 HA PHE 12 4.053 5.225 -0.998 90 HB2 PHE 12 HB2 PHE 12 2.807 7.032 0.317 91 HB3 PHE 12 HB3 PHE 12 4.001 6.772 1.584 92 HD1 PHE 12 HD2 PHE 12 3.421 7.955 -1.810 93 HD2 PHE 12 HD1 PHE 12 6.269 7.514 1.319 94 HE1 PHE 12 HE2 PHE 12 4.948 9.489 -2.989 95 HE2 PHE 12 HE1 PHE 12 7.807 9.048 0.144 96 HZ PHE 12 HZ PHE 12 7.139 10.041 -2.007 97 H CYS 13 H CYS 13 5.860 4.100 -1.099 98 HA CYS 13 HA CYS 13 6.969 2.840 1.238 99 HB2 CYS 13 HB2 CYS 13 7.074 1.589 -0.802 100 HB3 CYS 13 HB3 CYS 13 7.849 2.921 -1.648 101 H HIS 14 H HIS 14 8.626 3.492 2.445 102 HA HIS 14 HA HIS 14 9.711 6.134 1.999 103 HB2 HIS 14 HB2 HIS 14 9.726 4.150 4.212 104 HB3 HIS 14 HB3 HIS 14 11.077 5.284 4.144 105 HD1 HIS 14 HD1 HIS 14 10.686 7.471 5.232 106 HD2 HIS 14 HD2 HIS 14 7.128 5.600 4.182 107 HE1 HIS 14 HE1 HIS 14 8.861 8.923 6.161 108 HE2 HIS 14 HE2 HIS 14 6.713 7.854 5.383 109 H CYS 15 H CYS 15 10.573 2.941 1.282 110 HA CYS 15 HA CYS 15 13.426 3.402 1.158 111 HB2 CYS 15 HB2 CYS 15 11.745 1.054 0.266 112 HB3 CYS 15 HB3 CYS 15 13.495 1.066 0.386 113 HG CYS 15 HG CYS 15 13.311 1.661 3.233 114 H CYS 16 H CYS 16 10.695 3.484 -0.953 115 HA CYS 16 HA CYS 16 12.462 3.877 -3.274 116 HB2 CYS 16 HB2 CYS 16 9.526 3.165 -3.190 117 HB3 CYS 16 HB3 CYS 16 10.448 3.453 -4.654 118 H SER 17 H SER 17 10.484 5.442 -1.099 119 HA SER 17 HA SER 17 9.297 7.341 -0.937 120 HB2 SER 17 HB2 SER 17 10.362 9.376 -1.814 121 HB3 SER 17 HB3 SER 17 11.513 8.322 -1.001 122 HG SER 17 HG SER 17 11.640 7.545 -3.447 123 H VAL 18 H VAL 18 8.131 5.634 -2.701 124 HA VAL 18 HA VAL 18 6.788 7.517 -4.494 125 HB VAL 18 HB VAL 18 6.622 5.877 -6.287 126 HG11 VAL 18 HG11 VAL 18 8.908 5.912 -7.097 127 HG12 VAL 18 HG12 VAL 18 9.493 6.285 -5.474 128 HG13 VAL 18 HG13 VAL 18 8.491 7.450 -6.342 129 HG21 VAL 18 HG21 VAL 18 8.395 4.159 -4.568 130 HG22 VAL 18 HG22 VAL 18 7.968 3.819 -6.244 131 HG23 VAL 18 HG23 VAL 18 6.717 3.841 -5.001 132 H GLU 19 H GLU 19 4.706 6.647 -5.261 133 HA GLU 19 HA GLU 19 3.310 5.450 -3.019 134 HB2 GLU 19 HB2 GLU 19 2.477 7.469 -4.298 135 HB3 GLU 19 HB3 GLU 19 2.161 6.392 -5.650 136 HG2 GLU 19 HG2 GLU 19 1.003 5.480 -3.137 137 HG3 GLU 19 HG3 GLU 19 0.397 7.044 -3.672 138 H ILE 20 H ILE 20 2.584 3.415 -2.951 139 HA ILE 20 HA ILE 20 2.930 1.701 -5.329 140 HB ILE 20 HB ILE 20 3.869 -0.064 -3.852 141 HG12 ILE 20 HG12 ILE 20 4.764 1.738 -1.764 142 HG13 ILE 20 HG13 ILE 20 3.012 1.620 -1.813 143 HG21 ILE 20 HG21 ILE 20 5.402 1.189 -5.192 144 HG22 ILE 20 HG22 ILE 20 6.126 0.926 -3.607 145 HG23 ILE 20 HG23 ILE 20 5.436 2.498 -4.012 146 HD11 ILE 20 HD11 ILE 20 3.871 0.003 -0.284 147 HD12 ILE 20 HD12 ILE 20 4.973 -0.634 -1.505 148 HD13 ILE 20 HD13 ILE 20 3.231 -0.839 -1.696 149 H VAL 21 H VAL 21 1.911 -0.385 -5.105 150 HA VAL 21 HA VAL 21 -0.228 -0.507 -3.086 151 HB VAL 21 HB VAL 21 -1.294 -0.517 -5.208 152 HG11 VAL 21 HG11 VAL 21 -0.647 -1.952 -7.065 153 HG12 VAL 21 HG12 VAL 21 0.681 -2.605 -6.106 154 HG13 VAL 21 HG13 VAL 21 0.688 -0.906 -6.577 155 HG21 VAL 21 HG21 VAL 21 -2.276 -2.755 -5.370 156 HG22 VAL 21 HG22 VAL 21 -2.143 -2.223 -3.693 157 HG23 VAL 21 HG23 VAL 21 -0.990 -3.389 -4.342 158 HA PRO 22 HA PRO 22 2.782 -3.304 -1.387 159 HB2 PRO 22 HB2 PRO 22 0.583 -4.003 0.470 160 HB3 PRO 22 HB3 PRO 22 2.195 -3.400 0.819 161 HG2 PRO 22 HG2 PRO 22 0.076 -1.828 1.080 162 HG3 PRO 22 HG3 PRO 22 1.603 -1.199 0.431 163 HD2 PRO 22 HD2 PRO 22 -0.889 -1.981 -1.023 164 HD3 PRO 22 HD3 PRO 22 0.178 -0.587 -1.288 165 H ARG 23 H ARG 23 3.299 -5.419 -1.506 166 HA ARG 23 HA ARG 23 1.498 -7.274 -2.747 167 HB2 ARG 23 HB2 ARG 23 4.196 -7.680 -1.434 168 HB3 ARG 23 HB3 ARG 23 3.305 -8.944 -2.271 169 HG2 ARG 23 HG2 ARG 23 3.390 -7.584 -4.332 170 HG3 ARG 23 HG3 ARG 23 4.379 -6.403 -3.476 171 HD2 ARG 23 HD2 ARG 23 6.107 -8.057 -3.127 172 HD3 ARG 23 HD3 ARG 23 5.103 -9.302 -3.868 173 HE ARG 23 HE ARG 23 5.377 -7.254 -5.725 174 HH11 ARG 23 HH11 ARG 23 7.443 -9.575 -4.101 175 HH12 ARG 23 HH12 ARG 23 8.572 -9.668 -5.414 176 HH21 ARG 23 HH21 ARG 23 6.849 -7.374 -7.440 177 HH22 ARG 23 HH22 ARG 23 8.231 -8.419 -7.323 178 H LEU 24 H LEU 24 -0.183 -7.976 -1.657 179 HA LEU 24 HA LEU 24 -0.638 -7.279 0.958 180 HB2 LEU 24 HB2 LEU 24 -2.047 -8.487 -1.174 181 HB3 LEU 24 HB3 LEU 24 -2.400 -9.357 0.300 182 HG LEU 24 HG LEU 24 -3.955 -7.448 -0.254 183 HD11 LEU 24 HD11 LEU 24 -2.493 -7.354 2.376 184 HD12 LEU 24 HD12 LEU 24 -3.833 -8.426 1.973 185 HD13 LEU 24 HD13 LEU 24 -4.095 -6.685 2.059 186 HD21 LEU 24 HD21 LEU 24 -2.061 -5.946 -0.982 187 HD22 LEU 24 HD22 LEU 24 -1.694 -5.724 0.731 188 HD23 LEU 24 HD23 LEU 24 -3.255 -5.216 0.086 189 HA PRO 25 HA PRO 25 -0.152 -12.079 2.158 190 HB2 PRO 25 HB2 PRO 25 2.310 -12.369 0.491 191 HB3 PRO 25 HB3 PRO 25 1.151 -13.604 0.994 192 HG2 PRO 25 HG2 PRO 25 1.064 -12.664 -1.461 193 HG3 PRO 25 HG3 PRO 25 -0.446 -12.889 -0.557 194 HD2 PRO 25 HD2 PRO 25 1.051 -10.370 -1.150 195 HD3 PRO 25 HD3 PRO 25 -0.695 -10.662 -1.098 196 H ASP 26 H ASP 26 2.694 -10.094 1.304 197 HA ASP 26 HA ASP 26 3.773 -10.595 3.991 198 HB2 ASP 26 HB2 ASP 26 5.055 -9.733 1.417 199 HB3 ASP 26 HB3 ASP 26 5.876 -9.512 2.954 200 H TYR 27 H TYR 27 2.125 -8.276 2.252 201 HA TYR 27 HA TYR 27 1.665 -6.075 2.468 202 HB2 TYR 27 HB2 TYR 27 2.180 -6.981 5.227 203 HB3 TYR 27 HB3 TYR 27 2.257 -5.241 4.977 204 HD1 TYR 27 HD2 TYR 27 0.190 -4.535 3.212 205 HD2 TYR 27 HD1 TYR 27 0.168 -7.641 6.121 206 HE1 TYR 27 HE2 TYR 27 -2.256 -4.381 3.342 207 HE2 TYR 27 HE1 TYR 27 -2.283 -7.500 6.259 208 HH TYR 27 HH TYR 27 -4.056 -5.888 5.821 209 H ILE 28 H ILE 28 4.147 -6.647 1.362 210 HA ILE 28 HA ILE 28 5.888 -4.560 2.482 211 HB ILE 28 HB ILE 28 7.674 -5.653 1.027 212 HG12 ILE 28 HG12 ILE 28 5.646 -7.903 1.031 213 HG13 ILE 28 HG13 ILE 28 6.118 -6.964 -0.376 214 HG21 ILE 28 HG21 ILE 28 8.156 -7.378 2.689 215 HG22 ILE 28 HG22 ILE 28 6.519 -7.223 3.327 216 HG23 ILE 28 HG23 ILE 28 7.643 -5.867 3.442 217 HD11 ILE 28 HD11 ILE 28 7.204 -9.139 -0.321 218 HD12 ILE 28 HD12 ILE 28 7.936 -8.737 1.233 219 HD13 ILE 28 HD13 ILE 28 8.377 -7.829 -0.213 220 H CYS 29 H CYS 29 7.513 -4.113 0.402 221 HA CYS 29 HA CYS 29 5.879 -2.499 -1.366 222 HB2 CYS 29 HB2 CYS 29 7.948 -1.649 -0.261 223 HB3 CYS 29 HB3 CYS 29 8.877 -2.842 -1.141 224 HA PRO 30 HA PRO 30 6.280 -5.539 -4.599 225 HB2 PRO 30 HB2 PRO 30 5.306 -4.124 -6.660 226 HB3 PRO 30 HB3 PRO 30 4.262 -4.659 -5.338 227 HG2 PRO 30 HG2 PRO 30 5.430 -1.966 -5.865 228 HG3 PRO 30 HG3 PRO 30 3.831 -2.387 -5.232 229 HD2 PRO 30 HD2 PRO 30 6.003 -1.577 -3.713 230 HD3 PRO 30 HD3 PRO 30 4.591 -2.461 -3.087 231 H ARG 31 H ARG 31 7.915 -2.606 -4.368 232 HA ARG 31 HA ARG 31 9.507 -3.029 -6.767 233 HB2 ARG 31 HB2 ARG 31 9.875 -0.729 -4.902 234 HB3 ARG 31 HB3 ARG 31 10.082 -0.793 -6.642 235 HG2 ARG 31 HG2 ARG 31 7.543 -1.138 -6.701 236 HG3 ARG 31 HG3 ARG 31 7.574 -0.560 -5.048 237 HD2 ARG 31 HD2 ARG 31 7.123 1.218 -6.682 238 HD3 ARG 31 HD3 ARG 31 8.567 1.503 -5.723 239 HE ARG 31 HE ARG 31 9.689 0.436 -7.833 240 HH11 ARG 31 HH11 ARG 31 6.975 2.645 -7.788 241 HH12 ARG 31 HH12 ARG 31 7.418 3.419 -9.273 242 HH21 ARG 31 HH21 ARG 31 10.264 1.440 -9.797 243 HH22 ARG 31 HH22 ARG 31 9.284 2.729 -10.420 244 H CYS 32 H CYS 32 10.003 -2.520 -3.242 245 HA CYS 32 HA CYS 32 12.710 -3.589 -3.669 246 HB2 CYS 32 HB2 CYS 32 13.548 -2.197 -1.876 247 HB3 CYS 32 HB3 CYS 32 12.732 -1.198 -3.071 248 H GLU 33 H GLU 33 9.780 -4.204 -2.199 249 HA GLU 33 HA GLU 33 9.032 -5.809 -0.770 250 HB2 GLU 33 HB2 GLU 33 11.731 -7.032 -1.369 251 HB3 GLU 33 HB3 GLU 33 10.360 -7.877 -0.666 252 HG2 GLU 33 HG2 GLU 33 9.093 -7.649 -2.669 253 HG3 GLU 33 HG3 GLU 33 10.294 -6.565 -3.368 254 H SER 34 H SER 34 10.249 -3.570 0.450 255 HA SER 34 HA SER 34 11.936 -4.596 2.574 256 HB2 SER 34 HB2 SER 34 12.794 -2.583 1.756 257 HB3 SER 34 HB3 SER 34 11.206 -1.828 1.642 258 HG SER 34 HG SER 34 12.816 -1.379 3.512 259 H GLY 35 H GLY 35 8.974 -2.606 2.420 260 HA2 GLY 35 HA2 GLY 35 7.070 -3.483 3.745 261 HA3 GLY 35 HA3 GLY 35 8.248 -3.759 5.014 262 H PHE 36 H PHE 36 9.611 -1.205 4.246 263 HA PHE 36 HA PHE 36 8.251 0.553 6.004 264 HB2 PHE 36 HB2 PHE 36 10.591 0.825 4.156 265 HB3 PHE 36 HB3 PHE 36 9.898 2.258 4.906 266 HD1 PHE 36 HD2 PHE 36 11.593 -0.947 5.566 267 HD2 PHE 36 HD1 PHE 36 10.205 2.733 7.175 268 HE1 PHE 36 HE2 PHE 36 12.880 -1.371 7.620 269 HE2 PHE 36 HE1 PHE 36 11.486 2.320 9.240 270 HZ PHE 36 HZ PHE 36 12.826 0.265 9.462 271 H ILE 37 H ILE 37 6.136 0.747 5.188 272 HA ILE 37 HA ILE 37 5.899 2.647 2.974 273 HB ILE 37 HB ILE 37 3.926 1.452 2.110 274 HG12 ILE 37 HG12 ILE 37 4.723 -0.622 4.152 275 HG13 ILE 37 HG13 ILE 37 3.182 0.184 3.993 276 HG21 ILE 37 HG21 ILE 37 5.961 1.161 0.952 277 HG22 ILE 37 HG22 ILE 37 5.211 -0.434 1.069 278 HG23 ILE 37 HG23 ILE 37 6.548 -0.006 2.138 279 HD11 ILE 37 HD11 ILE 37 3.150 -2.166 3.241 280 HD12 ILE 37 HD12 ILE 37 4.299 -1.745 1.971 281 HD13 ILE 37 HD13 ILE 37 2.690 -1.025 1.980 282 H GLU 38 H GLU 38 4.110 4.003 3.063 283 HA GLU 38 HA GLU 38 2.715 4.008 5.655 284 HB2 GLU 38 HB2 GLU 38 3.629 6.254 3.893 285 HB3 GLU 38 HB3 GLU 38 2.347 6.491 5.074 286 HG2 GLU 38 HG2 GLU 38 3.957 5.641 6.812 287 HG3 GLU 38 HG3 GLU 38 5.211 5.744 5.575 288 H GLU 39 H GLU 39 0.596 3.869 5.670 289 HA GLU 39 HA GLU 39 -0.857 3.562 3.213 290 HB2 GLU 39 HB2 GLU 39 -1.194 2.213 5.331 291 HB3 GLU 39 HB3 GLU 39 -1.924 3.639 6.041 292 HG2 GLU 39 HG2 GLU 39 -2.965 2.434 3.506 293 HG3 GLU 39 HG3 GLU 39 -3.453 1.834 5.088 294 H LEU 40 H LEU 40 -1.790 5.157 2.158 295 HA LEU 40 HA LEU 40 -1.602 7.831 3.261 296 HB2 LEU 40 HB2 LEU 40 -2.372 6.877 0.515 297 HB3 LEU 40 HB3 LEU 40 -2.159 8.554 0.967 298 HG LEU 40 HG LEU 40 0.023 6.468 1.035 299 HD11 LEU 40 HD11 LEU 40 -0.553 8.630 -0.972 300 HD12 LEU 40 HD12 LEU 40 -0.636 6.887 -1.237 301 HD13 LEU 40 HD13 LEU 40 0.916 7.657 -0.914 302 HD21 LEU 40 HD21 LEU 40 0.093 9.458 1.410 303 HD22 LEU 40 HD22 LEU 40 1.505 8.407 1.308 304 HD23 LEU 40 HD23 LEU 40 0.378 8.241 2.653 Start of MODEL 5 1 H1 GLY -1 H1 GLY -1 -8.819 -4.391 -5.889 2 H2 GLY -1 H2 GLY -1 -7.404 -3.952 -5.079 3 H3 GLY -1 H3 GLY -1 -7.354 -4.323 -6.726 4 HA2 GLY -1 HA3 GLY -1 -7.232 -1.940 -6.402 5 HA3 GLY -1 HA2 GLY -1 -8.699 -2.402 -7.251 6 H SER 0 H SER 0 -9.404 -0.253 -6.489 7 HA SER 0 HA SER 0 -9.884 0.119 -3.682 8 HB2 SER 0 HB2 SER 0 -10.937 1.685 -6.050 9 HB3 SER 0 HB3 SER 0 -10.956 2.206 -4.366 10 HG SER 0 HG SER 0 -8.965 2.828 -4.568 11 H MET 1 H MET 1 -11.386 -1.052 -2.691 12 HA MET 1 HA MET 1 -14.040 -1.260 -3.929 13 HB2 MET 1 HB2 MET 1 -12.500 -3.503 -2.612 14 HB3 MET 1 HB3 MET 1 -14.217 -3.578 -2.982 15 HG2 MET 1 HG2 MET 1 -13.738 -3.348 -5.349 16 HG3 MET 1 HG3 MET 1 -12.016 -3.209 -5.000 17 HE1 MET 1 HE1 MET 1 -12.394 -6.749 -6.705 18 HE2 MET 1 HE2 MET 1 -11.645 -5.158 -6.819 19 HE3 MET 1 HE3 MET 1 -13.384 -5.333 -7.054 20 H ALA 2 H ALA 2 -14.529 0.518 -2.501 21 HA ALA 2 HA ALA 2 -14.676 -0.200 0.343 22 HB1 ALA 2 HB1 ALA 2 -13.659 1.969 -0.186 23 HB2 ALA 2 HB2 ALA 2 -15.140 2.159 0.753 24 HB3 ALA 2 HB3 ALA 2 -15.150 2.471 -0.984 25 H GLU 3 H GLU 3 -16.402 -1.096 -1.985 26 HA GLU 3 HA GLU 3 -18.954 0.130 -1.568 27 HB2 GLU 3 HB2 GLU 3 -19.626 -1.938 -3.072 28 HB3 GLU 3 HB3 GLU 3 -18.811 -0.537 -3.744 29 HG2 GLU 3 HG2 GLU 3 -17.797 -2.492 -4.639 30 HG3 GLU 3 HG3 GLU 3 -16.655 -1.749 -3.525 31 H ALA 4 H ALA 4 -17.335 -2.711 -0.380 32 HA ALA 4 HA ALA 4 -19.507 -3.096 1.527 33 HB1 ALA 4 HB1 ALA 4 -18.490 -5.346 -0.207 34 HB2 ALA 4 HB2 ALA 4 -20.079 -4.589 -0.322 35 HB3 ALA 4 HB3 ALA 4 -19.639 -5.499 1.123 36 H SER 5 H SER 5 -16.299 -4.088 0.408 37 HA SER 5 HA SER 5 -15.511 -4.394 3.226 38 HB2 SER 5 HB2 SER 5 -15.769 -6.613 2.179 39 HB3 SER 5 HB3 SER 5 -14.639 -6.146 0.912 40 HG SER 5 HG SER 5 -14.071 -6.357 3.691 41 HA PRO 6 HA PRO 6 -12.778 -1.287 1.174 42 HB2 PRO 6 HB2 PRO 6 -12.775 -0.031 3.813 43 HB3 PRO 6 HB3 PRO 6 -13.278 0.641 2.262 44 HG2 PRO 6 HG2 PRO 6 -15.035 0.052 4.233 45 HG3 PRO 6 HG3 PRO 6 -15.451 -0.060 2.514 46 HD2 PRO 6 HD2 PRO 6 -14.725 -2.237 4.435 47 HD3 PRO 6 HD3 PRO 6 -15.970 -2.221 3.167 48 H HIS 7 H HIS 7 -10.603 -1.346 1.194 49 HA HIS 7 HA HIS 7 -9.215 -2.248 3.600 50 HB2 HIS 7 HB2 HIS 7 -7.963 -3.953 2.443 51 HB3 HIS 7 HB3 HIS 7 -9.666 -4.271 2.200 52 HD1 HIS 7 HD1 HIS 7 -6.561 -3.244 0.376 53 HD2 HIS 7 HD2 HIS 7 -10.553 -4.081 -0.452 54 HE1 HIS 7 HE1 HIS 7 -6.705 -3.456 -2.125 55 HE2 HIS 7 HE2 HIS 7 -9.150 -3.828 -2.613 56 HA PRO 8 HA PRO 8 -6.230 0.737 2.244 57 HB2 PRO 8 HB2 PRO 8 -3.954 -0.343 3.300 58 HB3 PRO 8 HB3 PRO 8 -5.137 0.554 4.245 59 HG2 PRO 8 HG2 PRO 8 -4.682 -2.371 4.043 60 HG3 PRO 8 HG3 PRO 8 -5.205 -1.406 5.430 61 HD2 PRO 8 HD2 PRO 8 -6.862 -2.938 3.881 62 HD3 PRO 8 HD3 PRO 8 -7.393 -1.552 4.842 63 H GLY 9 H GLY 9 -4.692 1.047 0.601 64 HA2 GLY 9 HA2 GLY 9 -3.544 -1.251 -0.730 65 HA3 GLY 9 HA3 GLY 9 -4.824 -0.461 -1.635 66 H ARG 10 H ARG 10 -4.297 2.189 -0.886 67 HA ARG 10 HA ARG 10 -2.018 2.755 -2.543 68 HB2 ARG 10 HB2 ARG 10 -2.626 5.146 -2.023 69 HB3 ARG 10 HB3 ARG 10 -3.880 4.207 -2.812 70 HG2 ARG 10 HG2 ARG 10 -5.130 4.014 -0.848 71 HG3 ARG 10 HG3 ARG 10 -3.794 4.560 0.162 72 HD2 ARG 10 HD2 ARG 10 -5.022 6.485 0.044 73 HD3 ARG 10 HD3 ARG 10 -3.992 6.685 -1.369 74 HE ARG 10 HE ARG 10 -5.962 5.618 -2.608 75 HH11 ARG 10 HH11 ARG 10 -6.261 7.736 0.160 76 HH12 ARG 10 HH12 ARG 10 -7.822 8.333 -0.303 77 HH21 ARG 10 HH21 ARG 10 -8.018 6.413 -3.230 78 HH22 ARG 10 HH22 ARG 10 -8.823 7.580 -2.227 79 H TYR 11 H TYR 11 -0.036 2.669 -1.763 80 HA TYR 11 HA TYR 11 0.419 3.635 0.978 81 HB2 TYR 11 HB2 TYR 11 1.397 1.146 -0.350 82 HB3 TYR 11 HB3 TYR 11 2.417 1.939 0.842 83 HD1 TYR 11 HD2 TYR 11 -1.094 0.731 0.430 84 HD2 TYR 11 HD1 TYR 11 2.197 1.353 3.041 85 HE1 TYR 11 HE2 TYR 11 -2.315 -0.394 2.235 86 HE2 TYR 11 HE1 TYR 11 0.996 0.235 4.853 87 HH TYR 11 HH TYR 11 -1.283 -0.291 5.499 88 H PHE 12 H PHE 12 2.628 4.298 1.388 89 HA PHE 12 HA PHE 12 4.046 5.186 -1.026 90 HB2 PHE 12 HB2 PHE 12 2.755 6.989 0.277 91 HB3 PHE 12 HB3 PHE 12 3.983 6.785 1.524 92 HD1 PHE 12 HD2 PHE 12 3.299 7.853 -1.885 93 HD2 PHE 12 HD1 PHE 12 6.221 7.577 1.193 94 HE1 PHE 12 HE2 PHE 12 4.766 9.386 -3.142 95 HE2 PHE 12 HE1 PHE 12 7.704 9.103 -0.062 96 HZ PHE 12 HZ PHE 12 6.962 10.011 -2.229 97 H CYS 13 H CYS 13 5.894 4.107 -1.100 98 HA CYS 13 HA CYS 13 7.009 2.881 1.248 99 HB2 CYS 13 HB2 CYS 13 7.157 1.677 -0.837 100 HB3 CYS 13 HB3 CYS 13 7.972 3.027 -1.611 101 H HIS 14 H HIS 14 8.635 3.559 2.480 102 HA HIS 14 HA HIS 14 9.697 6.214 2.106 103 HB2 HIS 14 HB2 HIS 14 9.884 4.104 4.209 104 HB3 HIS 14 HB3 HIS 14 11.148 5.330 4.156 105 HD1 HIS 14 HD1 HIS 14 10.659 7.118 5.767 106 HD2 HIS 14 HD2 HIS 14 7.198 5.648 4.004 107 HE1 HIS 14 HE1 HIS 14 8.780 8.475 6.735 108 HE2 HIS 14 HE2 HIS 14 6.722 7.708 5.493 109 H CYS 15 H CYS 15 10.747 2.936 1.688 110 HA CYS 15 HA CYS 15 13.511 3.425 1.371 111 HB2 CYS 15 HB2 CYS 15 11.865 1.157 0.235 112 HB3 CYS 15 HB3 CYS 15 13.587 1.130 0.583 113 HG CYS 15 HG CYS 15 13.071 -0.146 2.767 114 H CYS 16 H CYS 16 10.796 3.319 -0.880 115 HA CYS 16 HA CYS 16 12.590 3.913 -3.123 116 HB2 CYS 16 HB2 CYS 16 9.646 3.232 -3.112 117 HB3 CYS 16 HB3 CYS 16 10.607 3.534 -4.546 118 H SER 17 H SER 17 10.570 5.420 -0.936 119 HA SER 17 HA SER 17 9.401 7.329 -0.745 120 HB2 SER 17 HB2 SER 17 10.512 9.380 -1.629 121 HB3 SER 17 HB3 SER 17 11.558 8.341 -0.669 122 HG SER 17 HG SER 17 11.710 7.624 -3.256 123 H VAL 18 H VAL 18 8.297 5.678 -2.629 124 HA VAL 18 HA VAL 18 6.988 7.637 -4.368 125 HB VAL 18 HB VAL 18 6.883 6.085 -6.234 126 HG11 VAL 18 HG11 VAL 18 9.208 6.116 -6.948 127 HG12 VAL 18 HG12 VAL 18 9.721 6.434 -5.291 128 HG13 VAL 18 HG13 VAL 18 8.764 7.633 -6.165 129 HG21 VAL 18 HG21 VAL 18 8.582 4.270 -4.537 130 HG22 VAL 18 HG22 VAL 18 8.204 4.010 -6.239 131 HG23 VAL 18 HG23 VAL 18 6.916 3.989 -5.036 132 H GLU 19 H GLU 19 4.932 6.796 -5.231 133 HA GLU 19 HA GLU 19 3.442 5.575 -3.077 134 HB2 GLU 19 HB2 GLU 19 2.778 7.521 -4.761 135 HB3 GLU 19 HB3 GLU 19 2.199 6.170 -5.722 136 HG2 GLU 19 HG2 GLU 19 0.965 5.458 -3.618 137 HG3 GLU 19 HG3 GLU 19 1.308 7.069 -3.016 138 H ILE 20 H ILE 20 2.675 3.532 -3.018 139 HA ILE 20 HA ILE 20 3.101 1.789 -5.354 140 HB ILE 20 HB ILE 20 4.054 0.044 -3.893 141 HG12 ILE 20 HG12 ILE 20 4.817 1.844 -1.739 142 HG13 ILE 20 HG13 ILE 20 3.076 1.622 -1.841 143 HG21 ILE 20 HG21 ILE 20 5.596 2.632 -3.876 144 HG22 ILE 20 HG22 ILE 20 5.576 1.427 -5.164 145 HG23 ILE 20 HG23 ILE 20 6.281 1.030 -3.598 146 HD11 ILE 20 HD11 ILE 20 4.017 0.023 -0.323 147 HD12 ILE 20 HD12 ILE 20 5.149 -0.537 -1.556 148 HD13 ILE 20 HD13 ILE 20 3.418 -0.813 -1.755 149 H VAL 21 H VAL 21 2.114 -0.319 -5.083 150 HA VAL 21 HA VAL 21 -0.061 -0.425 -3.103 151 HB VAL 21 HB VAL 21 -1.093 -0.374 -5.257 152 HG11 VAL 21 HG11 VAL 21 -0.479 -1.856 -7.091 153 HG12 VAL 21 HG12 VAL 21 0.817 -2.543 -6.111 154 HG13 VAL 21 HG13 VAL 21 0.885 -0.848 -6.599 155 HG21 VAL 21 HG21 VAL 21 -2.160 -2.579 -5.414 156 HG22 VAL 21 HG22 VAL 21 -2.040 -2.026 -3.744 157 HG23 VAL 21 HG23 VAL 21 -0.922 -3.247 -4.350 158 HA PRO 22 HA PRO 22 2.883 -3.378 -1.540 159 HB2 PRO 22 HB2 PRO 22 0.807 -4.006 0.446 160 HB3 PRO 22 HB3 PRO 22 2.430 -3.370 0.682 161 HG2 PRO 22 HG2 PRO 22 0.268 -1.847 1.036 162 HG3 PRO 22 HG3 PRO 22 1.770 -1.190 0.358 163 HD2 PRO 22 HD2 PRO 22 -0.742 -2.003 -1.048 164 HD3 PRO 22 HD3 PRO 22 0.291 -0.585 -1.318 165 H ARG 23 H ARG 23 3.224 -5.553 -1.483 166 HA ARG 23 HA ARG 23 1.260 -7.299 -2.661 167 HB2 ARG 23 HB2 ARG 23 3.937 -7.870 -1.361 168 HB3 ARG 23 HB3 ARG 23 2.956 -9.067 -2.190 169 HG2 ARG 23 HG2 ARG 23 3.170 -7.804 -4.271 170 HG3 ARG 23 HG3 ARG 23 4.155 -6.605 -3.436 171 HD2 ARG 23 HD2 ARG 23 5.783 -8.388 -2.902 172 HD3 ARG 23 HD3 ARG 23 4.818 -9.514 -3.852 173 HE ARG 23 HE ARG 23 5.293 -7.523 -5.605 174 HH11 ARG 23 HH11 ARG 23 7.361 -9.453 -3.556 175 HH12 ARG 23 HH12 ARG 23 8.752 -9.291 -4.579 176 HH21 ARG 23 HH21 ARG 23 7.110 -7.313 -6.974 177 HH22 ARG 23 HH22 ARG 23 8.614 -8.059 -6.525 178 H LEU 24 H LEU 24 -0.467 -7.703 -1.455 179 HA LEU 24 HA LEU 24 -0.758 -6.970 1.155 180 HB2 LEU 24 HB2 LEU 24 -2.316 -8.257 -0.882 181 HB3 LEU 24 HB3 LEU 24 -2.726 -8.844 0.708 182 HG LEU 24 HG LEU 24 -4.058 -6.868 -0.164 183 HD11 LEU 24 HD11 LEU 24 -4.134 -5.787 2.025 184 HD12 LEU 24 HD12 LEU 24 -2.649 -6.622 2.481 185 HD13 LEU 24 HD13 LEU 24 -4.119 -7.544 2.161 186 HD21 LEU 24 HD21 LEU 24 -1.577 -5.346 0.614 187 HD22 LEU 24 HD22 LEU 24 -3.099 -4.681 0.019 188 HD23 LEU 24 HD23 LEU 24 -2.083 -5.647 -1.049 189 HA PRO 25 HA PRO 25 -0.532 -11.726 2.497 190 HB2 PRO 25 HB2 PRO 25 1.695 -12.395 0.630 191 HB3 PRO 25 HB3 PRO 25 0.421 -13.436 1.272 192 HG2 PRO 25 HG2 PRO 25 0.274 -12.568 -1.212 193 HG3 PRO 25 HG3 PRO 25 -1.178 -12.566 -0.191 194 HD2 PRO 25 HD2 PRO 25 0.598 -10.285 -0.962 195 HD3 PRO 25 HD3 PRO 25 -1.166 -10.344 -0.825 196 H ASP 26 H ASP 26 2.191 -9.759 1.399 197 HA ASP 26 HA ASP 26 3.632 -10.468 3.874 198 HB2 ASP 26 HB2 ASP 26 4.654 -9.625 1.171 199 HB3 ASP 26 HB3 ASP 26 5.669 -9.577 2.607 200 H TYR 27 H TYR 27 1.979 -8.025 2.311 201 HA TYR 27 HA TYR 27 1.784 -5.786 2.469 202 HB2 TYR 27 HB2 TYR 27 2.444 -6.630 5.240 203 HB3 TYR 27 HB3 TYR 27 2.497 -4.907 4.882 204 HD1 TYR 27 HD2 TYR 27 0.316 -4.345 3.176 205 HD2 TYR 27 HD1 TYR 27 0.494 -7.192 6.335 206 HE1 TYR 27 HE2 TYR 27 -2.118 -4.191 3.441 207 HE2 TYR 27 HE1 TYR 27 -1.946 -7.052 6.604 208 HH TYR 27 HH TYR 27 -3.760 -5.419 6.121 209 H ILE 28 H ILE 28 4.223 -6.702 1.331 210 HA ILE 28 HA ILE 28 6.121 -4.673 2.269 211 HB ILE 28 HB ILE 28 7.783 -5.854 0.810 212 HG12 ILE 28 HG12 ILE 28 5.634 -7.986 0.724 213 HG13 ILE 28 HG13 ILE 28 6.139 -7.005 -0.642 214 HG21 ILE 28 HG21 ILE 28 7.750 -6.175 3.210 215 HG22 ILE 28 HG22 ILE 28 8.152 -7.688 2.398 216 HG23 ILE 28 HG23 ILE 28 6.532 -7.440 3.050 217 HD11 ILE 28 HD11 ILE 28 7.123 -9.216 -0.735 218 HD12 ILE 28 HD12 ILE 28 7.857 -8.972 0.850 219 HD13 ILE 28 HD13 ILE 28 8.368 -7.987 -0.520 220 H CYS 29 H CYS 29 7.630 -4.181 0.228 221 HA CYS 29 HA CYS 29 5.958 -2.526 -1.471 222 HB2 CYS 29 HB2 CYS 29 7.981 -1.671 -0.296 223 HB3 CYS 29 HB3 CYS 29 8.961 -2.788 -1.217 224 HA PRO 30 HA PRO 30 6.481 -5.347 -4.883 225 HB2 PRO 30 HB2 PRO 30 5.567 -3.798 -6.875 226 HB3 PRO 30 HB3 PRO 30 4.484 -4.435 -5.632 227 HG2 PRO 30 HG2 PRO 30 5.657 -1.702 -5.908 228 HG3 PRO 30 HG3 PRO 30 4.027 -2.172 -5.398 229 HD2 PRO 30 HD2 PRO 30 6.073 -1.466 -3.689 230 HD3 PRO 30 HD3 PRO 30 4.673 -2.459 -3.227 231 H ARG 31 H ARG 31 8.071 -2.374 -4.473 232 HA ARG 31 HA ARG 31 9.746 -2.713 -6.827 233 HB2 ARG 31 HB2 ARG 31 10.035 -0.461 -4.892 234 HB3 ARG 31 HB3 ARG 31 10.300 -0.478 -6.623 235 HG2 ARG 31 HG2 ARG 31 7.680 -0.975 -6.569 236 HG3 ARG 31 HG3 ARG 31 7.833 -0.059 -5.079 237 HD2 ARG 31 HD2 ARG 31 7.320 1.437 -6.872 238 HD3 ARG 31 HD3 ARG 31 8.965 1.726 -6.330 239 HE ARG 31 HE ARG 31 9.655 0.339 -8.304 240 HH11 ARG 31 HH11 ARG 31 6.602 2.054 -8.300 241 HH12 ARG 31 HH12 ARG 31 6.554 2.228 -10.021 242 HH21 ARG 31 HH21 ARG 31 9.589 0.570 -10.576 243 HH22 ARG 31 HH22 ARG 31 8.254 1.396 -11.314 244 H CYS 32 H CYS 32 10.050 -2.548 -3.265 245 HA CYS 32 HA CYS 32 12.803 -3.512 -3.642 246 HB2 CYS 32 HB2 CYS 32 13.581 -2.184 -1.783 247 HB3 CYS 32 HB3 CYS 32 12.807 -1.148 -2.974 248 H GLU 33 H GLU 33 9.836 -4.175 -2.264 249 HA GLU 33 HA GLU 33 9.061 -5.812 -0.896 250 HB2 GLU 33 HB2 GLU 33 11.791 -7.007 -1.400 251 HB3 GLU 33 HB3 GLU 33 10.397 -7.870 -0.771 252 HG2 GLU 33 HG2 GLU 33 9.209 -7.570 -2.835 253 HG3 GLU 33 HG3 GLU 33 10.494 -6.543 -3.468 254 H SER 34 H SER 34 10.220 -3.570 0.391 255 HA SER 34 HA SER 34 11.831 -4.633 2.561 256 HB2 SER 34 HB2 SER 34 12.775 -2.661 1.713 257 HB3 SER 34 HB3 SER 34 11.224 -1.830 1.632 258 HG SER 34 HG SER 34 12.969 -2.157 3.752 259 H GLY 35 H GLY 35 8.960 -2.511 2.332 260 HA2 GLY 35 HA2 GLY 35 6.967 -3.290 3.543 261 HA3 GLY 35 HA3 GLY 35 8.064 -3.763 4.825 262 H PHE 36 H PHE 36 9.562 -1.138 4.139 263 HA PHE 36 HA PHE 36 8.220 0.516 6.041 264 HB2 PHE 36 HB2 PHE 36 10.612 0.871 4.278 265 HB3 PHE 36 HB3 PHE 36 9.913 2.267 5.089 266 HD1 PHE 36 HD2 PHE 36 10.933 -1.226 5.903 267 HD2 PHE 36 HD1 PHE 36 10.771 2.847 7.105 268 HE1 PHE 36 HE2 PHE 36 12.159 -1.794 7.957 269 HE2 PHE 36 HE1 PHE 36 11.994 2.290 9.172 270 HZ PHE 36 HZ PHE 36 12.690 -0.033 9.597 271 H ILE 37 H ILE 37 6.133 0.774 5.189 272 HA ILE 37 HA ILE 37 5.947 2.676 2.968 273 HB ILE 37 HB ILE 37 3.993 1.420 2.080 274 HG12 ILE 37 HG12 ILE 37 4.891 -0.634 4.106 275 HG13 ILE 37 HG13 ILE 37 3.312 0.107 3.966 276 HG21 ILE 37 HG21 ILE 37 6.042 1.217 0.922 277 HG22 ILE 37 HG22 ILE 37 5.373 -0.414 1.045 278 HG23 ILE 37 HG23 ILE 37 6.684 0.088 2.115 279 HD11 ILE 37 HD11 ILE 37 2.888 -1.086 1.913 280 HD12 ILE 37 HD12 ILE 37 3.349 -2.219 3.182 281 HD13 ILE 37 HD13 ILE 37 4.514 -1.764 1.938 282 H GLU 38 H GLU 38 4.088 3.976 2.974 283 HA GLU 38 HA GLU 38 2.704 4.046 5.570 284 HB2 GLU 38 HB2 GLU 38 3.529 6.247 3.707 285 HB3 GLU 38 HB3 GLU 38 2.306 6.497 4.944 286 HG2 GLU 38 HG2 GLU 38 4.001 5.724 6.623 287 HG3 GLU 38 HG3 GLU 38 5.195 5.780 5.327 288 H GLU 39 H GLU 39 0.630 3.642 5.567 289 HA GLU 39 HA GLU 39 -0.882 3.347 3.162 290 HB2 GLU 39 HB2 GLU 39 -1.133 1.981 5.275 291 HB3 GLU 39 HB3 GLU 39 -1.872 3.385 6.019 292 HG2 GLU 39 HG2 GLU 39 -2.992 2.298 3.483 293 HG3 GLU 39 HG3 GLU 39 -3.331 1.488 5.011 294 H LEU 40 H LEU 40 -1.788 4.944 2.099 295 HA LEU 40 HA LEU 40 -1.711 7.609 3.184 296 HB2 LEU 40 HB2 LEU 40 -2.692 6.613 0.521 297 HB3 LEU 40 HB3 LEU 40 -2.483 8.297 0.948 298 HG LEU 40 HG LEU 40 -0.284 6.244 0.726 299 HD11 LEU 40 HD11 LEU 40 0.432 7.605 -1.185 300 HD12 LEU 40 HD12 LEU 40 -1.049 8.552 -1.034 301 HD13 LEU 40 HD13 LEU 40 -1.134 6.834 -1.428 302 HD21 LEU 40 HD21 LEU 40 1.224 8.174 1.011 303 HD22 LEU 40 HD22 LEU 40 0.250 7.862 2.446 304 HD23 LEU 40 HD23 LEU 40 -0.174 9.189 1.364 Start of MODEL 6 1 H1 GLY -1 H1 GLY -1 -22.938 15.035 4.660 2 H2 GLY -1 H2 GLY -1 -23.404 14.736 3.065 3 H3 GLY -1 H3 GLY -1 -22.033 13.979 3.700 4 HA2 GLY -1 HA3 GLY -1 -23.369 12.717 5.237 5 HA3 GLY -1 HA2 GLY -1 -24.806 13.552 4.663 6 H SER 0 H SER 0 -22.036 11.858 3.189 7 HA SER 0 HA SER 0 -23.932 10.178 1.733 8 HB2 SER 0 HB2 SER 0 -21.644 11.688 0.450 9 HB3 SER 0 HB3 SER 0 -22.652 10.487 -0.360 10 HG SER 0 HG SER 0 -24.465 11.863 0.157 11 H MET 1 H MET 1 -23.397 8.413 2.931 12 HA MET 1 HA MET 1 -20.640 7.662 3.344 13 HB2 MET 1 HB2 MET 1 -23.241 6.264 4.001 14 HB3 MET 1 HB3 MET 1 -21.658 5.611 4.391 15 HG2 MET 1 HG2 MET 1 -22.538 6.634 6.346 16 HG3 MET 1 HG3 MET 1 -21.222 7.639 5.753 17 HE1 MET 1 HE1 MET 1 -21.973 9.645 7.254 18 HE2 MET 1 HE2 MET 1 -23.295 8.681 7.912 19 HE3 MET 1 HE3 MET 1 -23.608 10.301 7.292 20 H ALA 2 H ALA 2 -19.930 7.467 1.191 21 HA ALA 2 HA ALA 2 -21.182 5.389 -0.445 22 HB1 ALA 2 HB1 ALA 2 -20.774 7.567 -1.502 23 HB2 ALA 2 HB2 ALA 2 -19.846 6.284 -2.278 24 HB3 ALA 2 HB3 ALA 2 -19.051 7.400 -1.168 25 H GLU 3 H GLU 3 -18.352 6.186 1.356 26 HA GLU 3 HA GLU 3 -17.381 3.485 0.872 27 HB2 GLU 3 HB2 GLU 3 -15.882 5.094 -0.227 28 HB3 GLU 3 HB3 GLU 3 -15.666 5.934 1.302 29 HG2 GLU 3 HG2 GLU 3 -13.780 4.493 0.787 30 HG3 GLU 3 HG3 GLU 3 -14.605 3.986 2.260 31 H ALA 4 H ALA 4 -18.002 2.451 2.654 32 HA ALA 4 HA ALA 4 -17.636 3.769 5.252 33 HB1 ALA 4 HB1 ALA 4 -19.196 2.119 6.133 34 HB2 ALA 4 HB2 ALA 4 -19.275 1.331 4.558 35 HB3 ALA 4 HB3 ALA 4 -19.900 2.969 4.758 36 H SER 5 H SER 5 -15.969 1.815 3.257 37 HA SER 5 HA SER 5 -14.685 0.413 5.503 38 HB2 SER 5 HB2 SER 5 -14.967 -0.658 2.686 39 HB3 SER 5 HB3 SER 5 -14.266 -1.496 4.070 40 HG SER 5 HG SER 5 -16.967 -0.787 3.617 41 HA PRO 6 HA PRO 6 -11.465 3.146 3.708 42 HB2 PRO 6 HB2 PRO 6 -10.247 2.498 6.327 43 HB3 PRO 6 HB3 PRO 6 -10.511 4.071 5.570 44 HG2 PRO 6 HG2 PRO 6 -12.000 3.287 7.636 45 HG3 PRO 6 HG3 PRO 6 -12.711 4.197 6.289 46 HD2 PRO 6 HD2 PRO 6 -12.829 1.257 6.859 47 HD3 PRO 6 HD3 PRO 6 -14.116 2.348 6.299 48 H HIS 7 H HIS 7 -10.990 1.425 2.218 49 HA HIS 7 HA HIS 7 -9.421 -0.812 3.140 50 HB2 HIS 7 HB2 HIS 7 -11.093 -1.252 1.499 51 HB3 HIS 7 HB3 HIS 7 -10.460 -0.024 0.429 52 HD1 HIS 7 HD1 HIS 7 -9.886 -3.535 1.570 53 HD2 HIS 7 HD2 HIS 7 -8.316 -0.828 -1.166 54 HE1 HIS 7 HE1 HIS 7 -8.400 -4.883 0.061 55 HE2 HIS 7 HE2 HIS 7 -7.627 -3.259 -1.700 56 HA PRO 8 HA PRO 8 -5.591 1.193 2.186 57 HB2 PRO 8 HB2 PRO 8 -4.102 -1.140 2.723 58 HB3 PRO 8 HB3 PRO 8 -4.493 0.146 3.861 59 HG2 PRO 8 HG2 PRO 8 -5.423 -2.505 3.920 60 HG3 PRO 8 HG3 PRO 8 -6.010 -1.157 4.906 61 HD2 PRO 8 HD2 PRO 8 -7.187 -2.364 2.463 62 HD3 PRO 8 HD3 PRO 8 -7.982 -1.530 3.808 63 H GLY 9 H GLY 9 -4.772 1.543 0.222 64 HA2 GLY 9 HA2 GLY 9 -4.003 -0.738 -1.431 65 HA3 GLY 9 HA3 GLY 9 -5.135 0.414 -2.126 66 H ARG 10 H ARG 10 -4.336 2.779 -1.579 67 HA ARG 10 HA ARG 10 -1.836 3.150 -2.899 68 HB2 ARG 10 HB2 ARG 10 -2.247 5.581 -2.311 69 HB3 ARG 10 HB3 ARG 10 -3.491 4.807 -3.283 70 HG2 ARG 10 HG2 ARG 10 -5.003 4.741 -1.530 71 HG3 ARG 10 HG3 ARG 10 -3.748 4.917 -0.307 72 HD2 ARG 10 HD2 ARG 10 -4.275 7.074 -0.255 73 HD3 ARG 10 HD3 ARG 10 -3.520 7.206 -1.839 74 HE ARG 10 HE ARG 10 -5.783 6.791 -2.771 75 HH11 ARG 10 HH11 ARG 10 -5.466 7.963 0.513 76 HH12 ARG 10 HH12 ARG 10 -6.982 8.810 0.490 77 HH21 ARG 10 HH21 ARG 10 -7.804 7.884 -2.789 78 HH22 ARG 10 HH22 ARG 10 -8.312 8.754 -1.377 79 H TYR 11 H TYR 11 0.009 2.700 -1.907 80 HA TYR 11 HA TYR 11 0.374 3.684 0.849 81 HB2 TYR 11 HB2 TYR 11 1.358 1.200 -0.496 82 HB3 TYR 11 HB3 TYR 11 2.340 1.944 0.756 83 HD1 TYR 11 HD2 TYR 11 -1.192 0.815 0.197 84 HD2 TYR 11 HD1 TYR 11 2.041 1.303 2.919 85 HE1 TYR 11 HE2 TYR 11 -2.484 -0.342 1.940 86 HE2 TYR 11 HE1 TYR 11 0.769 0.155 4.662 87 HH TYR 11 HH TYR 11 -2.039 -1.627 4.000 88 H PHE 12 H PHE 12 2.624 4.275 1.354 89 HA PHE 12 HA PHE 12 4.108 5.189 -1.011 90 HB2 PHE 12 HB2 PHE 12 2.810 6.983 0.282 91 HB3 PHE 12 HB3 PHE 12 4.003 6.757 1.557 92 HD1 PHE 12 HD2 PHE 12 3.429 7.844 -1.871 93 HD2 PHE 12 HD1 PHE 12 6.237 7.583 1.309 94 HE1 PHE 12 HE2 PHE 12 4.918 9.395 -3.069 95 HE2 PHE 12 HE1 PHE 12 7.747 9.132 0.111 96 HZ PHE 12 HZ PHE 12 7.077 10.045 -2.076 97 H CYS 13 H CYS 13 5.982 4.177 -1.074 98 HA CYS 13 HA CYS 13 7.033 2.876 1.277 99 HB2 CYS 13 HB2 CYS 13 7.191 1.633 -0.747 100 HB3 CYS 13 HB3 CYS 13 7.923 2.983 -1.598 101 H HIS 14 H HIS 14 8.717 3.463 2.485 102 HA HIS 14 HA HIS 14 9.677 6.158 2.295 103 HB2 HIS 14 HB2 HIS 14 10.006 3.894 4.209 104 HB3 HIS 14 HB3 HIS 14 11.208 5.185 4.242 105 HD1 HIS 14 HD1 HIS 14 10.611 6.561 6.219 106 HD2 HIS 14 HD2 HIS 14 7.278 5.558 3.953 107 HE1 HIS 14 HE1 HIS 14 8.693 7.801 7.256 108 HE2 HIS 14 HE2 HIS 14 6.748 7.372 5.715 109 H CYS 15 H CYS 15 10.870 3.045 1.356 110 HA CYS 15 HA CYS 15 13.606 3.893 1.077 111 HB2 CYS 15 HB2 CYS 15 12.978 1.552 1.596 112 HB3 CYS 15 HB3 CYS 15 12.222 1.421 0.017 113 HG CYS 15 HG CYS 15 15.479 1.308 0.851 114 H CYS 16 H CYS 16 10.888 3.238 -1.081 115 HA CYS 16 HA CYS 16 12.454 3.975 -3.414 116 HB2 CYS 16 HB2 CYS 16 9.547 3.178 -3.186 117 HB3 CYS 16 HB3 CYS 16 10.416 3.436 -4.689 118 H SER 17 H SER 17 10.418 5.453 -1.177 119 HA SER 17 HA SER 17 9.240 7.356 -1.000 120 HB2 SER 17 HB2 SER 17 10.310 9.393 -1.862 121 HB3 SER 17 HB3 SER 17 11.455 8.333 -1.052 122 HG SER 17 HG SER 17 11.485 7.632 -3.588 123 H VAL 18 H VAL 18 8.156 5.627 -2.841 124 HA VAL 18 HA VAL 18 6.790 7.528 -4.607 125 HB VAL 18 HB VAL 18 6.601 5.882 -6.381 126 HG11 VAL 18 HG11 VAL 18 8.508 7.396 -6.456 127 HG12 VAL 18 HG12 VAL 18 8.905 5.830 -7.167 128 HG13 VAL 18 HG13 VAL 18 9.474 6.232 -5.546 129 HG21 VAL 18 HG21 VAL 18 8.317 4.126 -4.638 130 HG22 VAL 18 HG22 VAL 18 7.901 3.788 -6.317 131 HG23 VAL 18 HG23 VAL 18 6.637 3.848 -5.090 132 H GLU 19 H GLU 19 4.687 6.701 -5.328 133 HA GLU 19 HA GLU 19 3.296 5.471 -3.104 134 HB2 GLU 19 HB2 GLU 19 2.463 7.446 -4.555 135 HB3 GLU 19 HB3 GLU 19 2.064 6.220 -5.752 136 HG2 GLU 19 HG2 GLU 19 1.015 5.341 -3.291 137 HG3 GLU 19 HG3 GLU 19 0.593 7.041 -3.459 138 H ILE 20 H ILE 20 2.658 3.401 -3.016 139 HA ILE 20 HA ILE 20 3.059 1.703 -5.396 140 HB ILE 20 HB ILE 20 3.998 -0.058 -3.899 141 HG12 ILE 20 HG12 ILE 20 4.861 1.776 -1.828 142 HG13 ILE 20 HG13 ILE 20 3.110 1.628 -1.877 143 HG21 ILE 20 HG21 ILE 20 5.506 1.239 -5.256 144 HG22 ILE 20 HG22 ILE 20 6.241 0.929 -3.684 145 HG23 ILE 20 HG23 ILE 20 5.554 2.514 -4.037 146 HD11 ILE 20 HD11 ILE 20 3.373 -0.826 -1.742 147 HD12 ILE 20 HD12 ILE 20 3.993 0.036 -0.335 148 HD13 ILE 20 HD13 ILE 20 5.110 -0.590 -1.549 149 H VAL 21 H VAL 21 2.083 -0.400 -5.206 150 HA VAL 21 HA VAL 21 -0.091 -0.578 -3.234 151 HB VAL 21 HB VAL 21 -1.101 -0.606 -5.389 152 HG11 VAL 21 HG11 VAL 21 0.905 -2.689 -6.229 153 HG12 VAL 21 HG12 VAL 21 0.931 -0.988 -6.697 154 HG13 VAL 21 HG13 VAL 21 -0.396 -2.029 -7.223 155 HG21 VAL 21 HG21 VAL 21 -1.993 -2.289 -3.897 156 HG22 VAL 21 HG22 VAL 21 -0.785 -3.452 -4.446 157 HG23 VAL 21 HG23 VAL 21 -2.029 -2.883 -5.557 158 HA PRO 22 HA PRO 22 2.965 -3.341 -1.536 159 HB2 PRO 22 HB2 PRO 22 0.827 -4.001 0.383 160 HB3 PRO 22 HB3 PRO 22 2.430 -3.337 0.677 161 HG2 PRO 22 HG2 PRO 22 0.240 -1.839 0.930 162 HG3 PRO 22 HG3 PRO 22 1.750 -1.169 0.286 163 HD2 PRO 22 HD2 PRO 22 -0.709 -2.030 -1.174 164 HD3 PRO 22 HD3 PRO 22 0.331 -0.617 -1.450 165 H ARG 23 H ARG 23 3.408 -5.509 -1.563 166 HA ARG 23 HA ARG 23 1.553 -7.317 -2.775 167 HB2 ARG 23 HB2 ARG 23 4.126 -7.823 -1.257 168 HB3 ARG 23 HB3 ARG 23 3.217 -9.065 -2.099 169 HG2 ARG 23 HG2 ARG 23 3.588 -7.864 -4.218 170 HG3 ARG 23 HG3 ARG 23 4.561 -6.677 -3.346 171 HD2 ARG 23 HD2 ARG 23 6.062 -8.499 -2.627 172 HD3 ARG 23 HD3 ARG 23 5.121 -9.629 -3.595 173 HE ARG 23 HE ARG 23 5.825 -7.773 -5.411 174 HH11 ARG 23 HH11 ARG 23 7.643 -9.601 -3.050 175 HH12 ARG 23 HH12 ARG 23 9.133 -9.545 -3.946 176 HH21 ARG 23 HH21 ARG 23 7.761 -7.731 -6.628 177 HH22 ARG 23 HH22 ARG 23 9.185 -8.499 -6.000 178 H LEU 24 H LEU 24 -0.270 -7.664 -1.678 179 HA LEU 24 HA LEU 24 -0.629 -7.013 0.975 180 HB2 LEU 24 HB2 LEU 24 -2.213 -7.856 -1.176 181 HB3 LEU 24 HB3 LEU 24 -2.622 -8.871 0.189 182 HG LEU 24 HG LEU 24 -4.035 -6.845 0.000 183 HD11 LEU 24 HD11 LEU 24 -2.318 -7.030 2.462 184 HD12 LEU 24 HD12 LEU 24 -3.797 -7.936 2.143 185 HD13 LEU 24 HD13 LEU 24 -3.862 -6.187 2.360 186 HD21 LEU 24 HD21 LEU 24 -2.250 -5.360 -0.862 187 HD22 LEU 24 HD22 LEU 24 -1.527 -5.353 0.747 188 HD23 LEU 24 HD23 LEU 24 -3.135 -4.674 0.499 189 HA PRO 25 HA PRO 25 -0.551 -11.833 2.039 190 HB2 PRO 25 HB2 PRO 25 1.709 -12.454 0.200 191 HB3 PRO 25 HB3 PRO 25 0.382 -13.492 0.732 192 HG2 PRO 25 HG2 PRO 25 0.353 -12.470 -1.698 193 HG3 PRO 25 HG3 PRO 25 -1.136 -12.480 -0.731 194 HD2 PRO 25 HD2 PRO 25 0.752 -10.220 -1.277 195 HD3 PRO 25 HD3 PRO 25 -1.019 -10.226 -1.241 196 H ASP 26 H ASP 26 2.071 -9.638 1.301 197 HA ASP 26 HA ASP 26 3.515 -10.618 3.684 198 HB2 ASP 26 HB2 ASP 26 4.612 -9.490 1.113 199 HB3 ASP 26 HB3 ASP 26 5.580 -9.644 2.573 200 H TYR 27 H TYR 27 2.012 -7.984 2.172 201 HA TYR 27 HA TYR 27 1.739 -5.794 2.621 202 HB2 TYR 27 HB2 TYR 27 2.304 -6.949 5.276 203 HB3 TYR 27 HB3 TYR 27 2.529 -5.209 5.145 204 HD1 TYR 27 HD1 TYR 27 0.401 -4.402 3.318 205 HD2 TYR 27 HD2 TYR 27 0.333 -7.271 6.464 206 HE1 TYR 27 HE1 TYR 27 -2.009 -4.034 3.589 207 HE2 TYR 27 HE2 TYR 27 -2.085 -6.917 6.738 208 HH TYR 27 HH TYR 27 -3.985 -5.336 4.479 209 H ILE 28 H ILE 28 4.175 -6.576 1.394 210 HA ILE 28 HA ILE 28 6.017 -4.559 2.470 211 HB ILE 28 HB ILE 28 7.771 -5.690 1.085 212 HG12 ILE 28 HG12 ILE 28 5.688 -7.871 0.882 213 HG13 ILE 28 HG13 ILE 28 6.240 -6.867 -0.450 214 HG21 ILE 28 HG21 ILE 28 7.627 -6.033 3.483 215 HG22 ILE 28 HG22 ILE 28 8.149 -7.505 2.665 216 HG23 ILE 28 HG23 ILE 28 6.488 -7.357 3.241 217 HD11 ILE 28 HD11 ILE 28 7.287 -9.045 -0.510 218 HD12 ILE 28 HD12 ILE 28 7.915 -8.810 1.120 219 HD13 ILE 28 HD13 ILE 28 8.488 -7.792 -0.201 220 H CYS 29 H CYS 29 7.614 -4.114 0.422 221 HA CYS 29 HA CYS 29 5.981 -2.518 -1.376 222 HB2 CYS 29 HB2 CYS 29 8.024 -1.647 -0.209 223 HB3 CYS 29 HB3 CYS 29 8.984 -2.793 -1.117 224 HA PRO 30 HA PRO 30 6.528 -5.562 -4.594 225 HB2 PRO 30 HB2 PRO 30 5.518 -4.202 -6.665 226 HB3 PRO 30 HB3 PRO 30 4.477 -4.723 -5.334 227 HG2 PRO 30 HG2 PRO 30 5.649 -2.028 -5.881 228 HG3 PRO 30 HG3 PRO 30 4.025 -2.440 -5.309 229 HD2 PRO 30 HD2 PRO 30 6.103 -1.605 -3.698 230 HD3 PRO 30 HD3 PRO 30 4.701 -2.545 -3.131 231 H ARG 31 H ARG 31 8.096 -2.612 -4.292 232 HA ARG 31 HA ARG 31 9.678 -2.935 -6.716 233 HB2 ARG 31 HB2 ARG 31 9.791 -0.575 -4.875 234 HB3 ARG 31 HB3 ARG 31 10.140 -0.649 -6.591 235 HG2 ARG 31 HG2 ARG 31 7.597 -1.289 -6.727 236 HG3 ARG 31 HG3 ARG 31 7.539 -0.469 -5.182 237 HD2 ARG 31 HD2 ARG 31 8.283 1.540 -6.099 238 HD3 ARG 31 HD3 ARG 31 8.790 0.783 -7.602 239 HE ARG 31 HE ARG 31 5.962 0.583 -7.025 240 HH11 ARG 31 HH11 ARG 31 8.479 2.467 -8.566 241 HH12 ARG 31 HH12 ARG 31 7.398 3.211 -9.700 242 HH21 ARG 31 HH21 ARG 31 4.540 1.564 -8.516 243 HH22 ARG 31 HH22 ARG 31 5.159 2.701 -9.671 244 H CYS 32 H CYS 32 10.063 -2.606 -3.171 245 HA CYS 32 HA CYS 32 12.832 -3.507 -3.587 246 HB2 CYS 32 HB2 CYS 32 13.643 -2.080 -1.816 247 HB3 CYS 32 HB3 CYS 32 12.803 -1.106 -3.015 248 H GLU 33 H GLU 33 9.916 -4.194 -2.136 249 HA GLU 33 HA GLU 33 9.203 -5.808 -0.694 250 HB2 GLU 33 HB2 GLU 33 11.979 -6.955 -1.015 251 HB3 GLU 33 HB3 GLU 33 10.529 -7.819 -0.531 252 HG2 GLU 33 HG2 GLU 33 9.566 -7.535 -2.711 253 HG3 GLU 33 HG3 GLU 33 10.913 -6.514 -3.213 254 H SER 34 H SER 34 10.189 -3.480 0.503 255 HA SER 34 HA SER 34 11.905 -4.288 2.692 256 HB2 SER 34 HB2 SER 34 12.522 -2.199 1.806 257 HB3 SER 34 HB3 SER 34 10.851 -1.642 1.724 258 HG SER 34 HG SER 34 12.442 -2.028 4.045 259 H GLY 35 H GLY 35 8.749 -2.651 2.411 260 HA2 GLY 35 HA2 GLY 35 6.893 -3.459 3.775 261 HA3 GLY 35 HA3 GLY 35 8.077 -3.761 5.035 262 H PHE 36 H PHE 36 9.482 -1.240 4.364 263 HA PHE 36 HA PHE 36 8.147 0.528 6.121 264 HB2 PHE 36 HB2 PHE 36 10.505 0.777 4.288 265 HB3 PHE 36 HB3 PHE 36 9.861 2.193 5.110 266 HD1 PHE 36 HD1 PHE 36 11.156 -1.226 5.748 267 HD2 PHE 36 HD2 PHE 36 10.476 2.684 7.256 268 HE1 PHE 36 HE1 PHE 36 12.447 -1.794 7.766 269 HE2 PHE 36 HE2 PHE 36 11.766 2.131 9.286 270 HZ PHE 36 HZ PHE 36 12.751 -0.112 9.540 271 H ILE 37 H ILE 37 6.046 0.695 5.204 272 HA ILE 37 HA ILE 37 5.888 2.632 3.009 273 HB ILE 37 HB ILE 37 3.928 1.424 2.098 274 HG12 ILE 37 HG12 ILE 37 4.721 -0.621 4.168 275 HG13 ILE 37 HG13 ILE 37 3.159 0.128 3.941 276 HG21 ILE 37 HG21 ILE 37 5.999 1.169 0.975 277 HG22 ILE 37 HG22 ILE 37 5.265 -0.435 1.069 278 HG23 ILE 37 HG23 ILE 37 6.575 0.002 2.166 279 HD11 ILE 37 HD11 ILE 37 4.435 -1.813 2.029 280 HD12 ILE 37 HD12 ILE 37 2.827 -1.105 1.889 281 HD13 ILE 37 HD13 ILE 37 3.192 -2.206 3.216 282 H GLU 38 H GLU 38 4.002 3.910 2.995 283 HA GLU 38 HA GLU 38 2.643 4.006 5.599 284 HB2 GLU 38 HB2 GLU 38 3.436 6.210 3.716 285 HB3 GLU 38 HB3 GLU 38 2.280 6.453 5.022 286 HG2 GLU 38 HG2 GLU 38 4.040 5.646 6.600 287 HG3 GLU 38 HG3 GLU 38 5.171 5.671 5.250 288 H GLU 39 H GLU 39 0.539 3.752 5.638 289 HA GLU 39 HA GLU 39 -0.908 3.309 3.191 290 HB2 GLU 39 HB2 GLU 39 -1.159 1.967 5.317 291 HB3 GLU 39 HB3 GLU 39 -1.950 3.356 6.030 292 HG2 GLU 39 HG2 GLU 39 -2.985 2.164 3.497 293 HG3 GLU 39 HG3 GLU 39 -3.358 1.426 5.055 294 H LEU 40 H LEU 40 -1.614 4.963 2.045 295 HA LEU 40 HA LEU 40 -1.684 7.596 3.199 296 HB2 LEU 40 HB2 LEU 40 -2.244 6.672 0.394 297 HB3 LEU 40 HB3 LEU 40 -2.073 8.342 0.892 298 HG LEU 40 HG LEU 40 0.104 6.251 0.999 299 HD11 LEU 40 HD11 LEU 40 1.118 7.546 -0.798 300 HD12 LEU 40 HD12 LEU 40 -0.304 8.588 -0.846 301 HD13 LEU 40 HD13 LEU 40 -0.444 6.881 -1.268 302 HD21 LEU 40 HD21 LEU 40 0.367 7.882 2.774 303 HD22 LEU 40 HD22 LEU 40 0.155 9.200 1.623 304 HD23 LEU 40 HD23 LEU 40 1.572 8.157 1.516 Start of MODEL 7 1 H1 GLY -1 H1 GLY -1 -17.279 8.014 12.088 2 H2 GLY -1 H2 GLY -1 -18.635 7.892 11.086 3 H3 GLY -1 H3 GLY -1 -17.087 7.665 10.441 4 HA2 GLY -1 HA3 GLY -1 -18.461 5.905 12.398 5 HA3 GLY -1 HA2 GLY -1 -18.161 5.540 10.705 6 H SER 0 H SER 0 -15.540 6.595 10.558 7 HA SER 0 HA SER 0 -13.370 6.144 10.928 8 HB2 SER 0 HB2 SER 0 -13.884 6.957 13.223 9 HB3 SER 0 HB3 SER 0 -14.214 5.296 13.707 10 HG SER 0 HG SER 0 -11.748 6.018 12.530 11 H MET 1 H MET 1 -14.353 3.573 13.141 12 HA MET 1 HA MET 1 -12.855 1.688 11.530 13 HB2 MET 1 HB2 MET 1 -14.302 1.309 14.158 14 HB3 MET 1 HB3 MET 1 -13.267 0.117 13.387 15 HG2 MET 1 HG2 MET 1 -11.369 1.654 13.588 16 HG3 MET 1 HG3 MET 1 -12.413 2.818 14.400 17 HE1 MET 1 HE1 MET 1 -11.146 -1.269 16.123 18 HE2 MET 1 HE2 MET 1 -10.531 -0.586 14.619 19 HE3 MET 1 HE3 MET 1 -12.208 -1.123 14.723 20 H ALA 2 H ALA 2 -15.996 2.773 11.651 21 HA ALA 2 HA ALA 2 -17.141 0.261 10.676 22 HB1 ALA 2 HB1 ALA 2 -18.482 2.890 11.324 23 HB2 ALA 2 HB2 ALA 2 -18.433 1.470 12.370 24 HB3 ALA 2 HB3 ALA 2 -19.301 1.406 10.838 25 H GLU 3 H GLU 3 -15.298 2.477 9.483 26 HA GLU 3 HA GLU 3 -16.707 2.697 6.937 27 HB2 GLU 3 HB2 GLU 3 -14.668 4.533 8.184 28 HB3 GLU 3 HB3 GLU 3 -15.173 4.650 6.507 29 HG2 GLU 3 HG2 GLU 3 -17.441 5.106 7.185 30 HG3 GLU 3 HG3 GLU 3 -16.994 4.918 8.881 31 H ALA 4 H ALA 4 -15.153 0.457 7.872 32 HA ALA 4 HA ALA 4 -12.637 0.708 6.383 33 HB1 ALA 4 HB1 ALA 4 -12.397 0.105 8.725 34 HB2 ALA 4 HB2 ALA 4 -11.869 -1.216 7.682 35 HB3 ALA 4 HB3 ALA 4 -13.436 -1.297 8.484 36 H SER 5 H SER 5 -15.526 -0.052 5.470 37 HA SER 5 HA SER 5 -15.356 -2.651 4.418 38 HB2 SER 5 HB2 SER 5 -17.466 -1.374 4.486 39 HB3 SER 5 HB3 SER 5 -16.840 -0.274 3.263 40 HG SER 5 HG SER 5 -18.146 -1.855 2.319 41 HA PRO 6 HA PRO 6 -13.364 -0.579 0.450 42 HB2 PRO 6 HB2 PRO 6 -12.077 1.796 1.028 43 HB3 PRO 6 HB3 PRO 6 -13.646 1.675 0.228 44 HG2 PRO 6 HG2 PRO 6 -13.019 2.207 3.100 45 HG3 PRO 6 HG3 PRO 6 -14.258 2.941 2.065 46 HD2 PRO 6 HD2 PRO 6 -14.876 1.047 3.849 47 HD3 PRO 6 HD3 PRO 6 -15.683 1.126 2.272 48 H HIS 7 H HIS 7 -11.408 -1.430 0.062 49 HA HIS 7 HA HIS 7 -9.740 -2.024 2.374 50 HB2 HIS 7 HB2 HIS 7 -8.643 -3.662 0.934 51 HB3 HIS 7 HB3 HIS 7 -10.380 -3.867 0.875 52 HD1 HIS 7 HD1 HIS 7 -11.564 -3.366 -1.369 53 HD2 HIS 7 HD2 HIS 7 -7.437 -2.867 -1.467 54 HE1 HIS 7 HE1 HIS 7 -10.958 -3.197 -3.801 55 HE2 HIS 7 HE2 HIS 7 -8.446 -3.035 -3.842 56 HA PRO 8 HA PRO 8 -6.652 0.955 1.311 57 HB2 PRO 8 HB2 PRO 8 -4.514 -0.216 2.539 58 HB3 PRO 8 HB3 PRO 8 -5.750 0.700 3.399 59 HG2 PRO 8 HG2 PRO 8 -5.365 -2.234 3.176 60 HG3 PRO 8 HG3 PRO 8 -5.987 -1.280 4.529 61 HD2 PRO 8 HD2 PRO 8 -7.533 -2.735 2.795 62 HD3 PRO 8 HD3 PRO 8 -8.114 -1.361 3.746 63 H GLY 9 H GLY 9 -4.886 1.237 -0.086 64 HA2 GLY 9 HA2 GLY 9 -3.672 -1.055 -1.362 65 HA3 GLY 9 HA3 GLY 9 -4.804 -0.190 -2.392 66 H ARG 10 H ARG 10 -4.274 2.400 -1.364 67 HA ARG 10 HA ARG 10 -1.847 2.994 -2.778 68 HB2 ARG 10 HB2 ARG 10 -2.419 5.363 -2.182 69 HB3 ARG 10 HB3 ARG 10 -3.657 4.514 -3.094 70 HG2 ARG 10 HG2 ARG 10 -5.049 4.310 -1.241 71 HG3 ARG 10 HG3 ARG 10 -3.757 4.684 -0.106 72 HD2 ARG 10 HD2 ARG 10 -4.734 6.728 -0.136 73 HD3 ARG 10 HD3 ARG 10 -3.746 6.917 -1.581 74 HE ARG 10 HE ARG 10 -6.406 5.842 -2.003 75 HH11 ARG 10 HH11 ARG 10 -4.351 8.677 -1.993 76 HH12 ARG 10 HH12 ARG 10 -5.401 9.598 -3.020 77 HH21 ARG 10 HH21 ARG 10 -7.807 7.059 -3.324 78 HH22 ARG 10 HH22 ARG 10 -7.380 8.683 -3.765 79 H TYR 11 H TYR 11 0.013 2.634 -1.832 80 HA TYR 11 HA TYR 11 0.363 3.576 0.937 81 HB2 TYR 11 HB2 TYR 11 1.396 1.130 -0.434 82 HB3 TYR 11 HB3 TYR 11 2.373 1.887 0.814 83 HD1 TYR 11 HD1 TYR 11 -1.153 0.719 0.287 84 HD2 TYR 11 HD2 TYR 11 2.120 1.175 2.964 85 HE1 TYR 11 HE1 TYR 11 -2.405 -0.495 2.026 86 HE2 TYR 11 HE2 TYR 11 0.893 -0.027 4.699 87 HH TYR 11 HH TYR 11 -1.381 -0.604 5.296 88 H PHE 12 H PHE 12 2.571 4.287 1.420 89 HA PHE 12 HA PHE 12 4.008 5.209 -0.971 90 HB2 PHE 12 HB2 PHE 12 2.669 6.969 0.358 91 HB3 PHE 12 HB3 PHE 12 3.933 6.808 1.574 92 HD1 PHE 12 HD1 PHE 12 3.114 7.900 -1.802 93 HD2 PHE 12 HD2 PHE 12 6.156 7.631 1.156 94 HE1 PHE 12 HE1 PHE 12 4.499 9.474 -3.091 95 HE2 PHE 12 HE2 PHE 12 7.550 9.210 -0.123 96 HZ PHE 12 HZ PHE 12 6.715 10.137 -2.249 97 H CYS 13 H CYS 13 5.824 4.116 -1.046 98 HA CYS 13 HA CYS 13 6.924 2.842 1.270 99 HB2 CYS 13 HB2 CYS 13 7.096 1.665 -0.805 100 HB3 CYS 13 HB3 CYS 13 7.860 3.038 -1.591 101 H HIS 14 H HIS 14 8.395 3.572 2.613 102 HA HIS 14 HA HIS 14 9.503 6.195 2.389 103 HB2 HIS 14 HB2 HIS 14 9.724 3.930 4.327 104 HB3 HIS 14 HB3 HIS 14 10.954 5.186 4.373 105 HD1 HIS 14 HD1 HIS 14 10.373 6.473 6.406 106 HD2 HIS 14 HD2 HIS 14 7.053 5.747 4.015 107 HE1 HIS 14 HE1 HIS 14 8.492 7.756 7.460 108 HE2 HIS 14 HE2 HIS 14 6.542 7.443 5.901 109 H CYS 15 H CYS 15 10.513 3.027 1.526 110 HA CYS 15 HA CYS 15 13.321 3.603 1.405 111 HB2 CYS 15 HB2 CYS 15 11.736 1.249 0.363 112 HB3 CYS 15 HB3 CYS 15 13.482 1.303 0.546 113 HG CYS 15 HG CYS 15 12.732 -0.224 2.652 114 H CYS 16 H CYS 16 10.642 3.544 -0.853 115 HA CYS 16 HA CYS 16 12.485 4.120 -3.073 116 HB2 CYS 16 HB2 CYS 16 9.569 3.331 -3.131 117 HB3 CYS 16 HB3 CYS 16 10.545 3.684 -4.543 118 H SER 17 H SER 17 10.399 5.605 -0.943 119 HA SER 17 HA SER 17 9.219 7.508 -0.785 120 HB2 SER 17 HB2 SER 17 10.289 9.553 -1.735 121 HB3 SER 17 HB3 SER 17 11.377 8.552 -0.779 122 HG SER 17 HG SER 17 11.461 7.800 -3.370 123 H VAL 18 H VAL 18 8.073 5.795 -2.543 124 HA VAL 18 HA VAL 18 6.712 7.648 -4.351 125 HB VAL 18 HB VAL 18 6.644 6.026 -6.175 126 HG11 VAL 18 HG11 VAL 18 8.446 7.687 -6.164 127 HG12 VAL 18 HG12 VAL 18 8.938 6.184 -6.946 128 HG13 VAL 18 HG13 VAL 18 9.481 6.543 -5.306 129 HG21 VAL 18 HG21 VAL 18 8.484 4.370 -4.466 130 HG22 VAL 18 HG22 VAL 18 8.063 4.027 -6.142 131 HG23 VAL 18 HG23 VAL 18 6.819 3.981 -4.892 132 H GLU 19 H GLU 19 4.683 6.707 -5.183 133 HA GLU 19 HA GLU 19 3.279 5.430 -2.981 134 HB2 GLU 19 HB2 GLU 19 2.401 7.488 -4.076 135 HB3 GLU 19 HB3 GLU 19 2.207 6.582 -5.566 136 HG2 GLU 19 HG2 GLU 19 0.889 5.534 -3.130 137 HG3 GLU 19 HG3 GLU 19 0.218 6.979 -3.878 138 H ILE 20 H ILE 20 2.477 3.415 -3.026 139 HA ILE 20 HA ILE 20 2.858 1.783 -5.449 140 HB ILE 20 HB ILE 20 3.850 -0.017 -4.020 141 HG12 ILE 20 HG12 ILE 20 4.783 1.829 -1.970 142 HG13 ILE 20 HG13 ILE 20 3.040 1.613 -1.937 143 HG21 ILE 20 HG21 ILE 20 5.412 2.555 -4.175 144 HG22 ILE 20 HG22 ILE 20 5.286 1.324 -5.433 145 HG23 ILE 20 HG23 ILE 20 6.104 0.953 -3.916 146 HD11 ILE 20 HD11 ILE 20 3.395 -0.823 -1.814 147 HD12 ILE 20 HD12 ILE 20 4.077 0.058 -0.447 148 HD13 ILE 20 HD13 ILE 20 5.134 -0.534 -1.732 149 H VAL 21 H VAL 21 1.874 -0.333 -5.273 150 HA VAL 21 HA VAL 21 -0.245 -0.525 -3.242 151 HB VAL 21 HB VAL 21 -1.334 -0.401 -5.345 152 HG11 VAL 21 HG11 VAL 21 0.592 -2.480 -6.358 153 HG12 VAL 21 HG12 VAL 21 0.583 -0.767 -6.779 154 HG13 VAL 21 HG13 VAL 21 -0.761 -1.801 -7.263 155 HG21 VAL 21 HG21 VAL 21 -2.380 -2.605 -5.586 156 HG22 VAL 21 HG22 VAL 21 -2.217 -2.138 -3.894 157 HG23 VAL 21 HG23 VAL 21 -1.105 -3.313 -4.596 158 HA PRO 22 HA PRO 22 2.838 -3.402 -1.788 159 HB2 PRO 22 HB2 PRO 22 0.831 -3.970 0.299 160 HB3 PRO 22 HB3 PRO 22 2.477 -3.368 0.460 161 HG2 PRO 22 HG2 PRO 22 0.384 -1.782 0.871 162 HG3 PRO 22 HG3 PRO 22 1.858 -1.179 0.088 163 HD2 PRO 22 HD2 PRO 22 -0.749 -1.980 -1.144 164 HD3 PRO 22 HD3 PRO 22 0.296 -0.594 -1.516 165 H ARG 23 H ARG 23 3.206 -5.567 -1.667 166 HA ARG 23 HA ARG 23 1.233 -7.424 -2.626 167 HB2 ARG 23 HB2 ARG 23 3.917 -7.886 -1.287 168 HB3 ARG 23 HB3 ARG 23 2.959 -9.125 -2.083 169 HG2 ARG 23 HG2 ARG 23 3.215 -7.971 -4.211 170 HG3 ARG 23 HG3 ARG 23 4.133 -6.694 -3.418 171 HD2 ARG 23 HD2 ARG 23 5.838 -8.339 -2.781 172 HD3 ARG 23 HD3 ARG 23 4.925 -9.595 -3.616 173 HE ARG 23 HE ARG 23 5.342 -7.611 -5.476 174 HH11 ARG 23 HH11 ARG 23 7.343 -9.713 -3.520 175 HH12 ARG 23 HH12 ARG 23 8.652 -9.734 -4.655 176 HH21 ARG 23 HH21 ARG 23 7.062 -7.632 -6.979 177 HH22 ARG 23 HH22 ARG 23 8.497 -8.542 -6.625 178 H LEU 24 H LEU 24 -0.481 -7.759 -1.323 179 HA LEU 24 HA LEU 24 -0.544 -6.731 1.252 180 HB2 LEU 24 HB2 LEU 24 -2.399 -7.571 -0.575 181 HB3 LEU 24 HB3 LEU 24 -2.629 -8.680 0.761 182 HG LEU 24 HG LEU 24 -4.071 -6.645 0.835 183 HD11 LEU 24 HD11 LEU 24 -3.649 -7.926 2.848 184 HD12 LEU 24 HD12 LEU 24 -3.718 -6.203 3.218 185 HD13 LEU 24 HD13 LEU 24 -2.160 -7.025 3.127 186 HD21 LEU 24 HD21 LEU 24 -2.307 -5.102 -0.028 187 HD22 LEU 24 HD22 LEU 24 -1.535 -5.193 1.554 188 HD23 LEU 24 HD23 LEU 24 -3.158 -4.521 1.401 189 HA PRO 25 HA PRO 25 -0.618 -11.360 2.966 190 HB2 PRO 25 HB2 PRO 25 1.293 -12.430 0.943 191 HB3 PRO 25 HB3 PRO 25 -0.012 -13.261 1.799 192 HG2 PRO 25 HG2 PRO 25 -0.344 -12.570 -0.718 193 HG3 PRO 25 HG3 PRO 25 -1.659 -12.296 0.444 194 HD2 PRO 25 HD2 PRO 25 0.302 -10.338 -0.695 195 HD3 PRO 25 HD3 PRO 25 -1.436 -10.155 -0.408 196 H ASP 26 H ASP 26 2.071 -9.658 1.504 197 HA ASP 26 HA ASP 26 3.790 -10.471 3.752 198 HB2 ASP 26 HB2 ASP 26 4.516 -9.448 1.006 199 HB3 ASP 26 HB3 ASP 26 5.685 -9.683 2.300 200 H TYR 27 H TYR 27 2.074 -7.910 2.408 201 HA TYR 27 HA TYR 27 1.929 -5.684 2.722 202 HB2 TYR 27 HB2 TYR 27 2.652 -6.778 5.356 203 HB3 TYR 27 HB3 TYR 27 2.963 -5.057 5.163 204 HD1 TYR 27 HD2 TYR 27 0.810 -4.033 3.611 205 HD2 TYR 27 HD1 TYR 27 0.705 -7.103 6.553 206 HE1 TYR 27 HE2 TYR 27 -1.556 -3.533 4.033 207 HE2 TYR 27 HE1 TYR 27 -1.666 -6.614 6.986 208 HH TYR 27 HH TYR 27 -3.560 -4.724 4.941 209 H ILE 28 H ILE 28 4.189 -6.459 1.259 210 HA ILE 28 HA ILE 28 6.176 -4.503 2.185 211 HB ILE 28 HB ILE 28 7.809 -5.700 0.728 212 HG12 ILE 28 HG12 ILE 28 5.657 -7.830 0.665 213 HG13 ILE 28 HG13 ILE 28 6.166 -6.859 -0.708 214 HG21 ILE 28 HG21 ILE 28 6.590 -7.287 2.981 215 HG22 ILE 28 HG22 ILE 28 7.796 -6.009 3.132 216 HG23 ILE 28 HG23 ILE 28 8.207 -7.519 2.317 217 HD11 ILE 28 HD11 ILE 28 8.400 -7.847 -0.564 218 HD12 ILE 28 HD12 ILE 28 7.147 -9.066 -0.795 219 HD13 ILE 28 HD13 ILE 28 7.864 -8.832 0.798 220 H CYS 29 H CYS 29 7.637 -4.039 0.144 221 HA CYS 29 HA CYS 29 5.971 -2.438 -1.610 222 HB2 CYS 29 HB2 CYS 29 7.982 -1.565 -0.413 223 HB3 CYS 29 HB3 CYS 29 8.970 -2.687 -1.317 224 HA PRO 30 HA PRO 30 6.657 -5.342 -4.934 225 HB2 PRO 30 HB2 PRO 30 5.703 -3.882 -6.985 226 HB3 PRO 30 HB3 PRO 30 4.639 -4.572 -5.757 227 HG2 PRO 30 HG2 PRO 30 5.572 -1.770 -6.096 228 HG3 PRO 30 HG3 PRO 30 4.016 -2.373 -5.506 229 HD2 PRO 30 HD2 PRO 30 6.121 -1.445 -3.927 230 HD3 PRO 30 HD3 PRO 30 4.749 -2.421 -3.356 231 H ARG 31 H ARG 31 8.104 -2.272 -4.611 232 HA ARG 31 HA ARG 31 9.823 -2.614 -6.927 233 HB2 ARG 31 HB2 ARG 31 10.046 -0.349 -4.991 234 HB3 ARG 31 HB3 ARG 31 10.374 -0.371 -6.713 235 HG2 ARG 31 HG2 ARG 31 7.769 -0.888 -6.775 236 HG3 ARG 31 HG3 ARG 31 7.837 -0.001 -5.261 237 HD2 ARG 31 HD2 ARG 31 7.381 1.520 -7.054 238 HD3 ARG 31 HD3 ARG 31 8.988 1.832 -6.416 239 HE ARG 31 HE ARG 31 9.592 0.238 -8.438 240 HH11 ARG 31 HH11 ARG 31 7.338 2.915 -8.343 241 HH12 ARG 31 HH12 ARG 31 7.557 3.327 -10.010 242 HH21 ARG 31 HH21 ARG 31 9.885 0.779 -10.634 243 HH22 ARG 31 HH22 ARG 31 9.005 2.108 -11.318 244 H CYS 32 H CYS 32 10.112 -2.423 -3.360 245 HA CYS 32 HA CYS 32 12.883 -3.340 -3.722 246 HB2 CYS 32 HB2 CYS 32 13.621 -2.007 -1.845 247 HB3 CYS 32 HB3 CYS 32 12.832 -0.977 -3.030 248 H GLU 33 H GLU 33 9.912 -4.047 -2.362 249 HA GLU 33 HA GLU 33 9.129 -5.630 -0.941 250 HB2 GLU 33 HB2 GLU 33 11.793 -6.879 -1.615 251 HB3 GLU 33 HB3 GLU 33 10.495 -7.709 -0.772 252 HG2 GLU 33 HG2 GLU 33 9.052 -7.490 -2.684 253 HG3 GLU 33 HG3 GLU 33 10.269 -6.536 -3.529 254 H SER 34 H SER 34 10.282 -3.445 0.323 255 HA SER 34 HA SER 34 12.043 -4.453 2.388 256 HB2 SER 34 HB2 SER 34 12.776 -2.393 1.515 257 HB3 SER 34 HB3 SER 34 11.169 -1.677 1.585 258 HG SER 34 HG SER 34 12.789 -2.413 3.809 259 H GLY 35 H GLY 35 8.988 -2.585 2.338 260 HA2 GLY 35 HA2 GLY 35 7.144 -3.528 3.680 261 HA3 GLY 35 HA3 GLY 35 8.355 -3.858 4.904 262 H PHE 36 H PHE 36 9.631 -1.218 4.172 263 HA PHE 36 HA PHE 36 8.239 0.424 6.042 264 HB2 PHE 36 HB2 PHE 36 10.603 0.830 4.239 265 HB3 PHE 36 HB3 PHE 36 9.901 2.182 5.118 266 HD1 PHE 36 HD2 PHE 36 11.213 -1.253 5.671 267 HD2 PHE 36 HD1 PHE 36 10.601 2.647 7.234 268 HE1 PHE 36 HE2 PHE 36 12.513 -1.862 7.672 269 HE2 PHE 36 HE1 PHE 36 11.897 2.053 9.246 270 HZ PHE 36 HZ PHE 36 12.855 -0.206 9.464 271 H ILE 37 H ILE 37 6.140 0.628 5.166 272 HA ILE 37 HA ILE 37 5.948 2.532 2.942 273 HB ILE 37 HB ILE 37 3.979 1.298 2.070 274 HG12 ILE 37 HG12 ILE 37 4.840 -0.747 4.116 275 HG13 ILE 37 HG13 ILE 37 3.275 0.017 3.962 276 HG21 ILE 37 HG21 ILE 37 6.063 1.060 0.936 277 HG22 ILE 37 HG22 ILE 37 5.303 -0.532 1.006 278 HG23 ILE 37 HG23 ILE 37 6.624 -0.136 2.106 279 HD11 ILE 37 HD11 ILE 37 2.879 -1.178 1.882 280 HD12 ILE 37 HD12 ILE 37 3.222 -2.292 3.206 281 HD13 ILE 37 HD13 ILE 37 4.467 -1.934 2.008 282 H GLU 38 H GLU 38 4.013 3.780 2.904 283 HA GLU 38 HA GLU 38 2.741 3.962 5.545 284 HB2 GLU 38 HB2 GLU 38 3.573 6.049 3.588 285 HB3 GLU 38 HB3 GLU 38 2.273 6.379 4.726 286 HG2 GLU 38 HG2 GLU 38 5.066 5.530 5.448 287 HG3 GLU 38 HG3 GLU 38 4.426 7.166 5.535 288 H GLU 39 H GLU 39 0.692 3.427 5.622 289 HA GLU 39 HA GLU 39 -0.901 3.073 3.273 290 HB2 GLU 39 HB2 GLU 39 -1.020 1.756 5.462 291 HB3 GLU 39 HB3 GLU 39 -1.857 3.136 6.140 292 HG2 GLU 39 HG2 GLU 39 -2.832 1.692 3.698 293 HG3 GLU 39 HG3 GLU 39 -3.268 1.200 5.332 294 H LEU 40 H LEU 40 -1.684 4.724 2.185 295 HA LEU 40 HA LEU 40 -1.811 7.346 3.367 296 HB2 LEU 40 HB2 LEU 40 -2.528 6.434 0.593 297 HB3 LEU 40 HB3 LEU 40 -2.353 8.098 1.106 298 HG LEU 40 HG LEU 40 -0.154 6.044 0.960 299 HD11 LEU 40 HD11 LEU 40 0.721 7.454 -0.821 300 HD12 LEU 40 HD12 LEU 40 -0.706 8.483 -0.704 301 HD13 LEU 40 HD13 LEU 40 -0.868 6.803 -1.216 302 HD21 LEU 40 HD21 LEU 40 1.342 7.936 1.473 303 HD22 LEU 40 HD22 LEU 40 0.255 7.549 2.807 304 HD23 LEU 40 HD23 LEU 40 -0.073 8.943 1.777 Start of MODEL 8 1 H1 GLY -1 H1 GLY -1 -19.737 -8.501 5.442 2 H2 GLY -1 H2 GLY -1 -20.264 -6.926 5.749 3 H3 GLY -1 H3 GLY -1 -19.856 -7.943 7.034 4 HA2 GLY -1 HA3 GLY -1 -18.101 -6.354 6.663 5 HA3 GLY -1 HA2 GLY -1 -17.555 -7.987 6.310 6 H SER 0 H SER 0 -18.310 -4.865 5.018 7 HA SER 0 HA SER 0 -17.357 -5.749 2.369 8 HB2 SER 0 HB2 SER 0 -19.102 -3.375 3.067 9 HB3 SER 0 HB3 SER 0 -18.592 -3.834 1.445 10 HG SER 0 HG SER 0 -20.736 -4.560 2.084 11 H MET 1 H MET 1 -15.769 -4.550 1.333 12 HA MET 1 HA MET 1 -14.001 -3.076 3.051 13 HB2 MET 1 HB2 MET 1 -13.873 -3.640 0.082 14 HB3 MET 1 HB3 MET 1 -12.612 -2.818 0.985 15 HG2 MET 1 HG2 MET 1 -11.890 -5.031 0.774 16 HG3 MET 1 HG3 MET 1 -12.477 -4.889 2.427 17 HE1 MET 1 HE1 MET 1 -14.438 -5.355 -0.998 18 HE2 MET 1 HE2 MET 1 -14.636 -7.106 -0.993 19 HE3 MET 1 HE3 MET 1 -13.024 -6.402 -1.109 20 H ALA 2 H ALA 2 -15.840 -1.537 3.468 21 HA ALA 2 HA ALA 2 -15.277 0.931 2.122 22 HB1 ALA 2 HB1 ALA 2 -17.579 1.402 1.400 23 HB2 ALA 2 HB2 ALA 2 -18.049 -0.237 1.847 24 HB3 ALA 2 HB3 ALA 2 -16.897 0.022 0.538 25 H GLU 3 H GLU 3 -17.354 -0.893 4.301 26 HA GLU 3 HA GLU 3 -18.130 1.318 5.906 27 HB2 GLU 3 HB2 GLU 3 -18.903 -0.407 7.497 28 HB3 GLU 3 HB3 GLU 3 -19.446 -0.726 5.856 29 HG2 GLU 3 HG2 GLU 3 -17.626 -2.343 5.591 30 HG3 GLU 3 HG3 GLU 3 -17.165 -2.075 7.271 31 H ALA 4 H ALA 4 -15.474 -0.960 5.976 32 HA ALA 4 HA ALA 4 -14.180 0.694 8.024 33 HB1 ALA 4 HB1 ALA 4 -13.247 -1.299 9.078 34 HB2 ALA 4 HB2 ALA 4 -14.129 -2.321 7.945 35 HB3 ALA 4 HB3 ALA 4 -15.009 -1.337 9.111 36 H SER 5 H SER 5 -13.234 1.660 6.149 37 HA SER 5 HA SER 5 -11.477 2.085 4.794 38 HB2 SER 5 HB2 SER 5 -10.113 0.967 6.578 39 HB3 SER 5 HB3 SER 5 -10.301 -0.552 5.706 40 HG SER 5 HG SER 5 -8.490 1.327 5.319 41 HA PRO 6 HA PRO 6 -12.899 -0.133 1.211 42 HB2 PRO 6 HB2 PRO 6 -11.764 1.429 -0.661 43 HB3 PRO 6 HB3 PRO 6 -13.154 1.966 0.290 44 HG2 PRO 6 HG2 PRO 6 -10.258 2.621 0.628 45 HG3 PRO 6 HG3 PRO 6 -11.671 3.679 0.778 46 HD2 PRO 6 HD2 PRO 6 -10.353 2.553 2.906 47 HD3 PRO 6 HD3 PRO 6 -12.050 3.058 2.947 48 H HIS 7 H HIS 7 -10.552 -1.075 2.627 49 HA HIS 7 HA HIS 7 -8.852 -2.511 2.400 50 HB2 HIS 7 HB2 HIS 7 -10.077 -3.762 0.829 51 HB3 HIS 7 HB3 HIS 7 -9.765 -2.617 -0.452 52 HD1 HIS 7 HD1 HIS 7 -8.159 -5.415 1.466 53 HD2 HIS 7 HD2 HIS 7 -7.345 -2.958 -1.788 54 HE1 HIS 7 HE1 HIS 7 -6.152 -6.424 0.336 55 HE2 HIS 7 HE2 HIS 7 -5.690 -4.935 -1.644 56 HA PRO 8 HA PRO 8 -5.602 0.366 1.662 57 HB2 PRO 8 HB2 PRO 8 -3.819 -1.831 2.421 58 HB3 PRO 8 HB3 PRO 8 -4.117 -0.298 3.246 59 HG2 PRO 8 HG2 PRO 8 -4.970 -2.661 4.228 60 HG3 PRO 8 HG3 PRO 8 -5.866 -1.150 4.472 61 HD2 PRO 8 HD2 PRO 8 -6.392 -3.369 2.526 62 HD3 PRO 8 HD3 PRO 8 -7.536 -2.420 3.492 63 H GLY 9 H GLY 9 -4.425 0.841 -0.086 64 HA2 GLY 9 HA2 GLY 9 -3.155 -1.245 -1.647 65 HA3 GLY 9 HA3 GLY 9 -4.455 -0.391 -2.470 66 H ARG 10 H ARG 10 -4.098 2.131 -1.422 67 HA ARG 10 HA ARG 10 -1.768 3.039 -2.836 68 HB2 ARG 10 HB2 ARG 10 -2.594 5.300 -2.091 69 HB3 ARG 10 HB3 ARG 10 -3.722 4.372 -3.070 70 HG2 ARG 10 HG2 ARG 10 -5.065 3.845 -1.215 71 HG3 ARG 10 HG3 ARG 10 -3.839 4.391 -0.071 72 HD2 ARG 10 HD2 ARG 10 -4.842 6.374 -0.060 73 HD3 ARG 10 HD3 ARG 10 -4.344 6.573 -1.737 74 HE ARG 10 HE ARG 10 -6.754 5.049 -1.466 75 HH11 ARG 10 HH11 ARG 10 -5.435 8.284 -1.649 76 HH12 ARG 10 HH12 ARG 10 -6.912 8.991 -2.224 77 HH21 ARG 10 HH21 ARG 10 -8.690 5.963 -2.251 78 HH22 ARG 10 HH22 ARG 10 -8.764 7.667 -2.582 79 H TYR 11 H TYR 11 0.101 2.674 -1.848 80 HA TYR 11 HA TYR 11 0.377 3.604 0.934 81 HB2 TYR 11 HB2 TYR 11 1.467 1.175 -0.419 82 HB3 TYR 11 HB3 TYR 11 2.420 1.945 0.843 83 HD1 TYR 11 HD1 TYR 11 -1.043 0.674 0.231 84 HD2 TYR 11 HD2 TYR 11 2.110 1.292 3.019 85 HE1 TYR 11 HE1 TYR 11 -2.316 -0.546 1.947 86 HE2 TYR 11 HE2 TYR 11 0.857 0.078 4.733 87 HH TYR 11 HH TYR 11 -1.881 -1.798 4.019 88 H PHE 12 H PHE 12 2.602 4.273 1.467 89 HA PHE 12 HA PHE 12 4.065 5.257 -0.882 90 HB2 PHE 12 HB2 PHE 12 2.753 7.002 0.486 91 HB3 PHE 12 HB3 PHE 12 3.984 6.762 1.722 92 HD1 PHE 12 HD2 PHE 12 3.282 7.970 -1.636 93 HD2 PHE 12 HD1 PHE 12 6.226 7.556 1.398 94 HE1 PHE 12 HE2 PHE 12 4.737 9.553 -2.841 95 HE2 PHE 12 HE1 PHE 12 7.699 9.138 0.201 96 HZ PHE 12 HZ PHE 12 6.944 10.143 -1.919 97 H CYS 13 H CYS 13 5.865 4.120 -0.978 98 HA CYS 13 HA CYS 13 6.952 2.800 1.322 99 HB2 CYS 13 HB2 CYS 13 7.097 1.645 -0.773 100 HB3 CYS 13 HB3 CYS 13 7.879 3.018 -1.541 101 H HIS 14 H HIS 14 8.533 3.448 2.624 102 HA HIS 14 HA HIS 14 9.647 6.092 2.265 103 HB2 HIS 14 HB2 HIS 14 9.625 4.064 4.453 104 HB3 HIS 14 HB3 HIS 14 10.912 5.268 4.452 105 HD1 HIS 14 HD1 HIS 14 10.344 7.227 5.837 106 HD2 HIS 14 HD2 HIS 14 6.969 5.548 4.087 107 HE1 HIS 14 HE1 HIS 14 8.413 8.628 6.617 108 HE2 HIS 14 HE2 HIS 14 6.413 7.721 5.379 109 H CYS 15 H CYS 15 10.517 2.925 1.471 110 HA CYS 15 HA CYS 15 13.367 3.407 1.447 111 HB2 CYS 15 HB2 CYS 15 11.712 1.094 0.420 112 HB3 CYS 15 HB3 CYS 15 13.469 1.120 0.477 113 HG CYS 15 HG CYS 15 12.937 1.810 3.446 114 H CYS 16 H CYS 16 10.690 3.412 -0.813 115 HA CYS 16 HA CYS 16 12.521 4.003 -3.038 116 HB2 CYS 16 HB2 CYS 16 9.577 3.310 -3.063 117 HB3 CYS 16 HB3 CYS 16 10.537 3.667 -4.486 118 H SER 17 H SER 17 10.494 5.464 -0.835 119 HA SER 17 HA SER 17 9.350 7.373 -0.591 120 HB2 SER 17 HB2 SER 17 10.464 9.439 -1.411 121 HB3 SER 17 HB3 SER 17 11.530 8.361 -0.519 122 HG SER 17 HG SER 17 11.764 7.634 -3.018 123 H VAL 18 H VAL 18 8.227 5.760 -2.494 124 HA VAL 18 HA VAL 18 6.898 7.753 -4.181 125 HB VAL 18 HB VAL 18 6.748 6.224 -6.067 126 HG11 VAL 18 HG11 VAL 18 9.070 6.225 -6.817 127 HG12 VAL 18 HG12 VAL 18 9.603 6.556 -5.169 128 HG13 VAL 18 HG13 VAL 18 8.638 7.750 -6.043 129 HG21 VAL 18 HG21 VAL 18 8.462 4.374 -4.424 130 HG22 VAL 18 HG22 VAL 18 8.053 4.140 -6.123 131 HG23 VAL 18 HG23 VAL 18 6.784 4.115 -4.899 132 H GLU 19 H GLU 19 4.823 6.957 -5.008 133 HA GLU 19 HA GLU 19 3.373 5.615 -2.893 134 HB2 GLU 19 HB2 GLU 19 2.531 7.667 -4.079 135 HB3 GLU 19 HB3 GLU 19 2.336 6.686 -5.523 136 HG2 GLU 19 HG2 GLU 19 1.042 5.461 -3.262 137 HG3 GLU 19 HG3 GLU 19 0.474 7.111 -3.507 138 H ILE 20 H ILE 20 2.678 3.567 -2.934 139 HA ILE 20 HA ILE 20 3.160 1.964 -5.363 140 HB ILE 20 HB ILE 20 4.091 0.162 -3.908 141 HG12 ILE 20 HG12 ILE 20 4.867 2.009 -1.783 142 HG13 ILE 20 HG13 ILE 20 3.136 1.711 -1.849 143 HG21 ILE 20 HG21 ILE 20 5.599 1.514 -5.215 144 HG22 ILE 20 HG22 ILE 20 6.326 1.157 -3.648 145 HG23 ILE 20 HG23 ILE 20 5.630 2.748 -3.955 146 HD11 ILE 20 HD11 ILE 20 3.594 -0.709 -1.756 147 HD12 ILE 20 HD12 ILE 20 4.158 0.170 -0.336 148 HD13 ILE 20 HD13 ILE 20 5.311 -0.343 -1.569 149 H VAL 21 H VAL 21 2.227 -0.178 -5.243 150 HA VAL 21 HA VAL 21 -0.008 -0.429 -3.343 151 HB VAL 21 HB VAL 21 -0.965 -0.315 -5.518 152 HG11 VAL 21 HG11 VAL 21 -0.258 -1.682 -7.403 153 HG12 VAL 21 HG12 VAL 21 1.018 -2.397 -6.417 154 HG13 VAL 21 HG13 VAL 21 1.072 -0.678 -6.814 155 HG21 VAL 21 HG21 VAL 21 -1.906 -2.054 -4.107 156 HG22 VAL 21 HG22 VAL 21 -0.742 -3.218 -4.739 157 HG23 VAL 21 HG23 VAL 21 -1.968 -2.530 -5.803 158 HA PRO 22 HA PRO 22 3.020 -3.324 -1.781 159 HB2 PRO 22 HB2 PRO 22 0.935 -3.901 0.219 160 HB3 PRO 22 HB3 PRO 22 2.569 -3.292 0.448 161 HG2 PRO 22 HG2 PRO 22 0.443 -1.725 0.788 162 HG3 PRO 22 HG3 PRO 22 1.950 -1.104 0.089 163 HD2 PRO 22 HD2 PRO 22 -0.587 -1.897 -1.283 164 HD3 PRO 22 HD3 PRO 22 0.470 -0.502 -1.586 165 H ARG 23 H ARG 23 3.309 -5.528 -1.549 166 HA ARG 23 HA ARG 23 1.303 -7.294 -2.649 167 HB2 ARG 23 HB2 ARG 23 3.945 -7.869 -1.278 168 HB3 ARG 23 HB3 ARG 23 2.943 -9.076 -2.064 169 HG2 ARG 23 HG2 ARG 23 3.257 -7.930 -4.207 170 HG3 ARG 23 HG3 ARG 23 4.274 -6.731 -3.407 171 HD2 ARG 23 HD2 ARG 23 5.793 -8.562 -2.722 172 HD3 ARG 23 HD3 ARG 23 4.811 -9.685 -3.659 173 HE ARG 23 HE ARG 23 5.489 -7.708 -5.426 174 HH11 ARG 23 HH11 ARG 23 7.243 -9.951 -3.392 175 HH12 ARG 23 HH12 ARG 23 8.638 -9.993 -4.420 176 HH21 ARG 23 HH21 ARG 23 7.326 -7.758 -6.788 177 HH22 ARG 23 HH22 ARG 23 8.689 -8.736 -6.351 178 H LEU 24 H LEU 24 -0.437 -7.537 -1.404 179 HA LEU 24 HA LEU 24 -0.577 -6.663 1.216 180 HB2 LEU 24 HB2 LEU 24 -2.358 -7.471 -0.749 181 HB3 LEU 24 HB3 LEU 24 -2.686 -8.515 0.615 182 HG LEU 24 HG LEU 24 -4.065 -6.447 0.552 183 HD11 LEU 24 HD11 LEU 24 -2.254 -6.741 2.936 184 HD12 LEU 24 HD12 LEU 24 -3.737 -7.647 2.636 185 HD13 LEU 24 HD13 LEU 24 -3.809 -5.908 2.917 186 HD21 LEU 24 HD21 LEU 24 -1.504 -5.036 1.266 187 HD22 LEU 24 HD22 LEU 24 -3.105 -4.319 1.076 188 HD23 LEU 24 HD23 LEU 24 -2.263 -4.979 -0.324 189 HA PRO 25 HA PRO 25 -0.728 -11.376 2.648 190 HB2 PRO 25 HB2 PRO 25 1.287 -12.341 0.680 191 HB3 PRO 25 HB3 PRO 25 -0.073 -13.205 1.404 192 HG2 PRO 25 HG2 PRO 25 -0.235 -12.367 -1.088 193 HG3 PRO 25 HG3 PRO 25 -1.623 -12.160 0.002 194 HD2 PRO 25 HD2 PRO 25 0.406 -10.142 -0.885 195 HD3 PRO 25 HD3 PRO 25 -1.348 -9.973 -0.707 196 H ASP 26 H ASP 26 2.012 -9.567 1.434 197 HA ASP 26 HA ASP 26 3.611 -10.472 3.740 198 HB2 ASP 26 HB2 ASP 26 4.462 -9.412 1.049 199 HB3 ASP 26 HB3 ASP 26 5.571 -9.529 2.410 200 H TYR 27 H TYR 27 2.036 -7.833 2.311 201 HA TYR 27 HA TYR 27 1.885 -5.624 2.693 202 HB2 TYR 27 HB2 TYR 27 2.530 -6.733 5.347 203 HB3 TYR 27 HB3 TYR 27 2.837 -5.008 5.158 204 HD1 TYR 27 HD2 TYR 27 0.736 -4.033 3.499 205 HD2 TYR 27 HD1 TYR 27 0.548 -7.032 6.511 206 HE1 TYR 27 HE2 TYR 27 -1.647 -3.545 3.822 207 HE2 TYR 27 HE1 TYR 27 -1.840 -6.551 6.844 208 HH TYR 27 HH TYR 27 -3.398 -4.656 6.484 209 H ILE 28 H ILE 28 4.205 -6.545 1.362 210 HA ILE 28 HA ILE 28 6.192 -4.587 2.272 211 HB ILE 28 HB ILE 28 7.797 -5.772 0.787 212 HG12 ILE 28 HG12 ILE 28 5.610 -7.859 0.639 213 HG13 ILE 28 HG13 ILE 28 6.125 -6.837 -0.694 214 HG21 ILE 28 HG21 ILE 28 6.538 -7.416 2.976 215 HG22 ILE 28 HG22 ILE 28 7.780 -6.179 3.169 216 HG23 ILE 28 HG23 ILE 28 8.147 -7.669 2.299 217 HD11 ILE 28 HD11 ILE 28 8.349 -7.857 -0.591 218 HD12 ILE 28 HD12 ILE 28 7.081 -9.043 -0.890 219 HD13 ILE 28 HD13 ILE 28 7.795 -8.903 0.715 220 H CYS 29 H CYS 29 7.623 -4.121 0.173 221 HA CYS 29 HA CYS 29 5.910 -2.448 -1.464 222 HB2 CYS 29 HB2 CYS 29 7.969 -1.614 -0.360 223 HB3 CYS 29 HB3 CYS 29 8.913 -2.745 -1.304 224 HA PRO 30 HA PRO 30 6.202 -5.275 -4.905 225 HB2 PRO 30 HB2 PRO 30 5.298 -3.656 -6.857 226 HB3 PRO 30 HB3 PRO 30 4.222 -4.278 -5.599 227 HG2 PRO 30 HG2 PRO 30 5.524 -1.592 -5.822 228 HG3 PRO 30 HG3 PRO 30 3.866 -1.991 -5.338 229 HD2 PRO 30 HD2 PRO 30 5.875 -1.423 -3.571 230 HD3 PRO 30 HD3 PRO 30 4.482 -2.452 -3.177 231 H ARG 31 H ARG 31 7.826 -2.264 -4.619 232 HA ARG 31 HA ARG 31 9.508 -2.701 -6.935 233 HB2 ARG 31 HB2 ARG 31 9.934 -0.541 -4.903 234 HB3 ARG 31 HB3 ARG 31 10.277 -0.525 -6.623 235 HG2 ARG 31 HG2 ARG 31 7.512 -0.885 -6.371 236 HG3 ARG 31 HG3 ARG 31 7.961 0.377 -5.227 237 HD2 ARG 31 HD2 ARG 31 7.489 1.458 -7.251 238 HD3 ARG 31 HD3 ARG 31 9.237 1.452 -7.097 239 HE ARG 31 HE ARG 31 8.337 -0.800 -8.575 240 HH11 ARG 31 HH11 ARG 31 8.932 2.638 -8.853 241 HH12 ARG 31 HH12 ARG 31 9.165 2.586 -10.569 242 HH21 ARG 31 HH21 ARG 31 8.669 -0.873 -10.826 243 HH22 ARG 31 HH22 ARG 31 9.019 0.588 -11.694 244 H CYS 32 H CYS 32 9.987 -2.354 -3.379 245 HA CYS 32 HA CYS 32 12.674 -3.458 -3.837 246 HB2 CYS 32 HB2 CYS 32 13.507 -2.158 -1.983 247 HB3 CYS 32 HB3 CYS 32 12.702 -1.103 -3.135 248 H GLU 33 H GLU 33 9.743 -4.135 -2.352 249 HA GLU 33 HA GLU 33 9.024 -5.805 -0.989 250 HB2 GLU 33 HB2 GLU 33 11.743 -6.954 -1.627 251 HB3 GLU 33 HB3 GLU 33 10.425 -7.839 -0.879 252 HG2 GLU 33 HG2 GLU 33 9.072 -7.581 -2.856 253 HG3 GLU 33 HG3 GLU 33 10.317 -6.581 -3.606 254 H SER 34 H SER 34 10.282 -3.560 0.265 255 HA SER 34 HA SER 34 11.987 -4.636 2.340 256 HB2 SER 34 HB2 SER 34 12.780 -2.597 1.465 257 HB3 SER 34 HB3 SER 34 11.197 -1.830 1.575 258 HG SER 34 HG SER 34 12.944 -1.425 3.270 259 H GLY 35 H GLY 35 9.007 -2.658 2.315 260 HA2 GLY 35 HA2 GLY 35 7.158 -3.592 3.688 261 HA3 GLY 35 HA3 GLY 35 8.382 -3.866 4.913 262 H PHE 36 H PHE 36 9.679 -1.277 4.163 263 HA PHE 36 HA PHE 36 8.309 0.420 5.985 264 HB2 PHE 36 HB2 PHE 36 10.616 0.807 4.106 265 HB3 PHE 36 HB3 PHE 36 9.922 2.176 4.966 266 HD1 PHE 36 HD1 PHE 36 11.719 -1.006 5.345 267 HD2 PHE 36 HD2 PHE 36 10.256 2.487 7.274 268 HE1 PHE 36 HE1 PHE 36 13.080 -1.539 7.325 269 HE2 PHE 36 HE2 PHE 36 11.614 1.964 9.262 270 HZ PHE 36 HZ PHE 36 13.027 -0.052 9.286 271 H ILE 37 H ILE 37 6.199 0.729 5.250 272 HA ILE 37 HA ILE 37 5.943 2.600 3.025 273 HB ILE 37 HB ILE 37 3.982 1.380 2.158 274 HG12 ILE 37 HG12 ILE 37 4.814 -0.662 4.209 275 HG13 ILE 37 HG13 ILE 37 3.248 0.085 4.009 276 HG21 ILE 37 HG21 ILE 37 5.295 -0.497 1.116 277 HG22 ILE 37 HG22 ILE 37 6.633 -0.027 2.165 278 HG23 ILE 37 HG23 ILE 37 6.004 1.112 0.973 279 HD11 ILE 37 HD11 ILE 37 2.911 -1.136 1.931 280 HD12 ILE 37 HD12 ILE 37 3.233 -2.232 3.273 281 HD13 ILE 37 HD13 ILE 37 4.504 -1.876 2.102 282 H GLU 38 H GLU 38 4.024 3.841 3.058 283 HA GLU 38 HA GLU 38 2.682 3.898 5.676 284 HB2 GLU 38 HB2 GLU 38 3.446 6.087 3.780 285 HB3 GLU 38 HB3 GLU 38 2.161 6.324 4.957 286 HG2 GLU 38 HG2 GLU 38 3.815 5.671 6.728 287 HG3 GLU 38 HG3 GLU 38 5.060 5.744 5.479 288 H GLU 39 H GLU 39 0.579 3.536 5.729 289 HA GLU 39 HA GLU 39 -0.906 3.103 3.300 290 HB2 GLU 39 HB2 GLU 39 -1.069 1.797 5.507 291 HB3 GLU 39 HB3 GLU 39 -1.996 3.154 6.115 292 HG2 GLU 39 HG2 GLU 39 -2.791 1.682 3.631 293 HG3 GLU 39 HG3 GLU 39 -3.255 1.121 5.233 294 H LEU 40 H LEU 40 -1.661 4.762 2.186 295 HA LEU 40 HA LEU 40 -1.826 7.383 3.332 296 HB2 LEU 40 HB2 LEU 40 -2.583 6.398 0.592 297 HB3 LEU 40 HB3 LEU 40 -2.470 8.081 1.061 298 HG LEU 40 HG LEU 40 -0.183 6.117 0.930 299 HD11 LEU 40 HD11 LEU 40 -0.872 8.475 -0.798 300 HD12 LEU 40 HD12 LEU 40 -0.969 6.775 -1.254 301 HD13 LEU 40 HD13 LEU 40 0.597 7.506 -0.910 302 HD21 LEU 40 HD21 LEU 40 -0.218 9.044 1.649 303 HD22 LEU 40 HD22 LEU 40 1.234 8.089 1.357 304 HD23 LEU 40 HD23 LEU 40 0.186 7.703 2.721 Start of MODEL 9 1 H1 GLY -1 H1 GLY -1 -13.505 -7.466 -2.490 2 H2 GLY -1 H2 GLY -1 -14.258 -8.106 -1.118 3 H3 GLY -1 H3 GLY -1 -14.815 -6.661 -1.793 4 HA2 GLY -1 HA3 GLY -1 -16.281 -8.500 -2.356 5 HA3 GLY -1 HA2 GLY -1 -15.533 -7.788 -3.779 6 H SER 0 H SER 0 -16.179 -9.926 -4.679 7 HA SER 0 HA SER 0 -15.651 -11.953 -5.530 8 HB2 SER 0 HB2 SER 0 -12.848 -11.200 -4.673 9 HB3 SER 0 HB3 SER 0 -13.268 -12.459 -5.836 10 HG SER 0 HG SER 0 -13.794 -9.674 -6.080 11 H MET 1 H MET 1 -16.658 -12.011 -2.959 12 HA MET 1 HA MET 1 -17.000 -13.379 -1.183 13 HB2 MET 1 HB2 MET 1 -15.424 -15.344 -2.856 14 HB3 MET 1 HB3 MET 1 -16.369 -15.759 -1.433 15 HG2 MET 1 HG2 MET 1 -18.396 -14.977 -2.572 16 HG3 MET 1 HG3 MET 1 -17.435 -14.614 -4.004 17 HE1 MET 1 HE1 MET 1 -18.971 -16.105 -5.559 18 HE2 MET 1 HE2 MET 1 -20.005 -16.403 -4.161 19 HE3 MET 1 HE3 MET 1 -19.454 -17.753 -5.155 20 H ALA 2 H ALA 2 -14.725 -11.640 -1.141 21 HA ALA 2 HA ALA 2 -13.109 -13.029 0.868 22 HB1 ALA 2 HB1 ALA 2 -11.946 -11.367 -1.370 23 HB2 ALA 2 HB2 ALA 2 -11.829 -13.121 -1.221 24 HB3 ALA 2 HB3 ALA 2 -11.046 -12.082 -0.033 25 H GLU 3 H GLU 3 -15.060 -11.565 1.660 26 HA GLU 3 HA GLU 3 -15.657 -9.893 3.044 27 HB2 GLU 3 HB2 GLU 3 -12.776 -9.017 2.821 28 HB3 GLU 3 HB3 GLU 3 -13.957 -8.308 3.912 29 HG2 GLU 3 HG2 GLU 3 -14.216 -10.435 5.044 30 HG3 GLU 3 HG3 GLU 3 -13.054 -11.176 3.946 31 H ALA 4 H ALA 4 -17.006 -8.430 2.363 32 HA ALA 4 HA ALA 4 -16.391 -6.866 -0.013 33 HB1 ALA 4 HB1 ALA 4 -18.569 -7.958 0.107 34 HB2 ALA 4 HB2 ALA 4 -18.752 -6.204 0.065 35 HB3 ALA 4 HB3 ALA 4 -18.942 -7.074 1.587 36 H SER 5 H SER 5 -14.680 -5.823 1.381 37 HA SER 5 HA SER 5 -15.823 -3.495 2.773 38 HB2 SER 5 HB2 SER 5 -13.204 -4.886 3.399 39 HB3 SER 5 HB3 SER 5 -13.885 -3.505 4.261 40 HG SER 5 HG SER 5 -15.510 -5.745 4.021 41 HA PRO 6 HA PRO 6 -13.915 -0.698 -0.047 42 HB2 PRO 6 HB2 PRO 6 -12.522 0.410 2.363 43 HB3 PRO 6 HB3 PRO 6 -13.392 1.260 1.081 44 HG2 PRO 6 HG2 PRO 6 -14.539 0.870 3.441 45 HG3 PRO 6 HG3 PRO 6 -15.475 0.712 1.944 46 HD2 PRO 6 HD2 PRO 6 -14.463 -1.399 3.780 47 HD3 PRO 6 HD3 PRO 6 -15.923 -1.380 2.770 48 H HIS 7 H HIS 7 -11.541 -1.240 2.543 49 HA HIS 7 HA HIS 7 -9.471 -2.104 2.597 50 HB2 HIS 7 HB2 HIS 7 -10.257 -4.038 1.475 51 HB3 HIS 7 HB3 HIS 7 -10.247 -3.240 -0.082 52 HD1 HIS 7 HD1 HIS 7 -7.953 -4.764 2.475 53 HD2 HIS 7 HD2 HIS 7 -7.816 -3.303 -1.413 54 HE1 HIS 7 HE1 HIS 7 -5.698 -5.425 1.582 55 HE2 HIS 7 HE2 HIS 7 -5.584 -4.397 -0.717 56 HA PRO 8 HA PRO 8 -7.212 1.106 0.571 57 HB2 PRO 8 HB2 PRO 8 -5.011 0.929 2.147 58 HB3 PRO 8 HB3 PRO 8 -6.532 1.641 2.691 59 HG2 PRO 8 HG2 PRO 8 -5.281 -0.881 3.479 60 HG3 PRO 8 HG3 PRO 8 -6.583 0.017 4.270 61 HD2 PRO 8 HD2 PRO 8 -6.764 -2.295 2.528 62 HD3 PRO 8 HD3 PRO 8 -8.051 -1.507 3.457 63 H GLY 9 H GLY 9 -5.349 1.418 -0.714 64 HA2 GLY 9 HA2 GLY 9 -3.699 -0.916 -1.308 65 HA3 GLY 9 HA3 GLY 9 -4.660 -0.258 -2.623 66 H ARG 10 H ARG 10 -4.372 2.490 -1.703 67 HA ARG 10 HA ARG 10 -1.902 3.144 -2.935 68 HB2 ARG 10 HB2 ARG 10 -2.497 5.491 -2.156 69 HB3 ARG 10 HB3 ARG 10 -3.642 4.704 -3.235 70 HG2 ARG 10 HG2 ARG 10 -5.157 4.284 -1.489 71 HG3 ARG 10 HG3 ARG 10 -3.963 4.668 -0.251 72 HD2 ARG 10 HD2 ARG 10 -4.642 6.783 -0.262 73 HD3 ARG 10 HD3 ARG 10 -4.217 6.914 -1.967 74 HE ARG 10 HE ARG 10 -6.464 6.272 -2.520 75 HH11 ARG 10 HH11 ARG 10 -5.937 6.963 0.879 76 HH12 ARG 10 HH12 ARG 10 -7.603 7.370 1.170 77 HH21 ARG 10 HH21 ARG 10 -8.652 6.792 -2.118 78 HH22 ARG 10 HH22 ARG 10 -9.141 7.259 -0.521 79 H TYR 11 H TYR 11 -0.080 2.623 -1.949 80 HA TYR 11 HA TYR 11 0.309 3.597 0.803 81 HB2 TYR 11 HB2 TYR 11 1.290 1.111 -0.541 82 HB3 TYR 11 HB3 TYR 11 2.282 1.868 0.695 83 HD1 TYR 11 HD1 TYR 11 -1.301 0.841 0.232 84 HD2 TYR 11 HD2 TYR 11 2.066 1.105 2.815 85 HE1 TYR 11 HE1 TYR 11 -2.563 -0.330 1.991 86 HE2 TYR 11 HE2 TYR 11 0.834 -0.056 4.574 87 HH TYR 11 HH TYR 11 -1.572 -0.443 5.208 88 H PHE 12 H PHE 12 2.606 4.119 1.263 89 HA PHE 12 HA PHE 12 4.028 5.083 -1.114 90 HB2 PHE 12 HB2 PHE 12 2.717 6.852 0.206 91 HB3 PHE 12 HB3 PHE 12 3.928 6.633 1.466 92 HD1 PHE 12 HD1 PHE 12 3.314 7.719 -1.966 93 HD2 PHE 12 HD2 PHE 12 6.129 7.506 1.218 94 HE1 PHE 12 HE1 PHE 12 4.778 9.304 -3.161 95 HE2 PHE 12 HE2 PHE 12 7.610 9.087 0.024 96 HZ PHE 12 HZ PHE 12 6.925 9.990 -2.165 97 H CYS 13 H CYS 13 5.898 4.051 -1.192 98 HA CYS 13 HA CYS 13 6.981 2.777 1.154 99 HB2 CYS 13 HB2 CYS 13 7.165 1.548 -0.891 100 HB3 CYS 13 HB3 CYS 13 7.913 2.910 -1.712 101 H HIS 14 H HIS 14 8.543 3.478 2.426 102 HA HIS 14 HA HIS 14 9.580 6.142 2.102 103 HB2 HIS 14 HB2 HIS 14 9.707 4.012 4.181 104 HB3 HIS 14 HB3 HIS 14 10.974 5.237 4.193 105 HD1 HIS 14 HD1 HIS 14 10.440 7.117 5.679 106 HD2 HIS 14 HD2 HIS 14 7.015 5.460 4.014 107 HE1 HIS 14 HE1 HIS 14 8.523 8.417 6.653 108 HE2 HIS 14 HE2 HIS 14 6.483 7.540 5.456 109 H CYS 15 H CYS 15 10.644 2.942 1.442 110 HA CYS 15 HA CYS 15 13.443 3.531 1.309 111 HB2 CYS 15 HB2 CYS 15 11.857 1.175 0.268 112 HB3 CYS 15 HB3 CYS 15 13.603 1.226 0.443 113 HG CYS 15 HG CYS 15 13.642 1.280 3.173 114 H CYS 16 H CYS 16 10.768 3.439 -0.941 115 HA CYS 16 HA CYS 16 12.588 4.014 -3.177 116 HB2 CYS 16 HB2 CYS 16 9.666 3.245 -3.167 117 HB3 CYS 16 HB3 CYS 16 10.598 3.602 -4.608 118 H SER 17 H SER 17 10.550 5.495 -1.002 119 HA SER 17 HA SER 17 9.286 7.348 -0.840 120 HB2 SER 17 HB2 SER 17 10.346 9.441 -1.640 121 HB3 SER 17 HB3 SER 17 11.441 8.409 -0.728 122 HG SER 17 HG SER 17 11.530 7.849 -3.385 123 H VAL 18 H VAL 18 8.174 5.718 -2.615 124 HA VAL 18 HA VAL 18 6.913 7.575 -4.490 125 HB VAL 18 HB VAL 18 6.868 5.929 -6.287 126 HG11 VAL 18 HG11 VAL 18 8.688 7.529 -6.300 127 HG12 VAL 18 HG12 VAL 18 9.223 5.976 -6.947 128 HG13 VAL 18 HG13 VAL 18 9.665 6.449 -5.307 129 HG21 VAL 18 HG21 VAL 18 8.238 3.895 -6.167 130 HG22 VAL 18 HG22 VAL 18 6.936 3.902 -4.978 131 HG23 VAL 18 HG23 VAL 18 8.588 4.254 -4.478 132 H GLU 19 H GLU 19 4.898 6.644 -5.377 133 HA GLU 19 HA GLU 19 3.382 5.502 -3.179 134 HB2 GLU 19 HB2 GLU 19 2.789 7.489 -4.836 135 HB3 GLU 19 HB3 GLU 19 2.166 6.179 -5.821 136 HG2 GLU 19 HG2 GLU 19 0.828 5.489 -3.823 137 HG3 GLU 19 HG3 GLU 19 1.323 6.990 -3.066 138 H ILE 20 H ILE 20 2.664 3.454 -3.106 139 HA ILE 20 HA ILE 20 3.026 1.730 -5.479 140 HB ILE 20 HB ILE 20 3.980 -0.030 -4.029 141 HG12 ILE 20 HG12 ILE 20 4.787 1.735 -1.873 142 HG13 ILE 20 HG13 ILE 20 3.039 1.581 -1.968 143 HG21 ILE 20 HG21 ILE 20 5.532 2.553 -4.014 144 HG22 ILE 20 HG22 ILE 20 5.497 1.356 -5.308 145 HG23 ILE 20 HG23 ILE 20 6.215 0.949 -3.750 146 HD11 ILE 20 HD11 ILE 20 3.918 -0.055 -0.457 147 HD12 ILE 20 HD12 ILE 20 5.033 -0.650 -1.688 148 HD13 ILE 20 HD13 ILE 20 3.294 -0.868 -1.893 149 H VAL 21 H VAL 21 1.999 -0.369 -5.239 150 HA VAL 21 HA VAL 21 -0.150 -0.447 -3.229 151 HB VAL 21 HB VAL 21 -1.216 -0.358 -5.356 152 HG11 VAL 21 HG11 VAL 21 0.731 -0.866 -6.735 153 HG12 VAL 21 HG12 VAL 21 -0.675 -1.818 -7.221 154 HG13 VAL 21 HG13 VAL 21 0.613 -2.566 -6.277 155 HG21 VAL 21 HG21 VAL 21 -2.176 -1.998 -3.847 156 HG22 VAL 21 HG22 VAL 21 -1.090 -3.239 -4.475 157 HG23 VAL 21 HG23 VAL 21 -2.327 -2.541 -5.519 158 HA PRO 22 HA PRO 22 2.749 -3.444 -1.681 159 HB2 PRO 22 HB2 PRO 22 0.686 -4.008 0.336 160 HB3 PRO 22 HB3 PRO 22 2.321 -3.388 0.548 161 HG2 PRO 22 HG2 PRO 22 0.191 -1.830 0.900 162 HG3 PRO 22 HG3 PRO 22 1.686 -1.206 0.182 163 HD2 PRO 22 HD2 PRO 22 -0.858 -2.033 -1.167 164 HD3 PRO 22 HD3 PRO 22 0.172 -0.617 -1.470 165 H ARG 23 H ARG 23 3.076 -5.604 -1.660 166 HA ARG 23 HA ARG 23 1.092 -7.419 -2.663 167 HB2 ARG 23 HB2 ARG 23 3.706 -7.950 -1.224 168 HB3 ARG 23 HB3 ARG 23 2.758 -9.149 -2.078 169 HG2 ARG 23 HG2 ARG 23 3.159 -7.962 -4.178 170 HG3 ARG 23 HG3 ARG 23 4.128 -6.770 -3.308 171 HD2 ARG 23 HD2 ARG 23 5.613 -8.608 -2.565 172 HD3 ARG 23 HD3 ARG 23 4.689 -9.718 -3.567 173 HE ARG 23 HE ARG 23 5.429 -7.844 -5.339 174 HH11 ARG 23 HH11 ARG 23 7.208 -9.695 -2.960 175 HH12 ARG 23 HH12 ARG 23 8.703 -9.649 -3.846 176 HH21 ARG 23 HH21 ARG 23 7.394 -7.808 -6.526 177 HH22 ARG 23 HH22 ARG 23 8.794 -8.601 -5.884 178 H LEU 24 H LEU 24 -0.679 -7.728 -1.355 179 HA LEU 24 HA LEU 24 -0.723 -6.771 1.239 180 HB2 LEU 24 HB2 LEU 24 -2.592 -7.632 -0.574 181 HB3 LEU 24 HB3 LEU 24 -2.797 -8.725 0.779 182 HG LEU 24 HG LEU 24 -4.243 -6.681 0.830 183 HD11 LEU 24 HD11 LEU 24 -3.897 -6.246 3.214 184 HD12 LEU 24 HD12 LEU 24 -2.336 -7.061 3.128 185 HD13 LEU 24 HD13 LEU 24 -3.822 -7.968 2.846 186 HD21 LEU 24 HD21 LEU 24 -3.320 -4.561 1.377 187 HD22 LEU 24 HD22 LEU 24 -2.447 -5.160 -0.033 188 HD23 LEU 24 HD23 LEU 24 -1.705 -5.241 1.565 189 HA PRO 25 HA PRO 25 -0.616 -11.416 2.906 190 HB2 PRO 25 HB2 PRO 25 1.240 -12.410 0.797 191 HB3 PRO 25 HB3 PRO 25 -0.007 -13.284 1.692 192 HG2 PRO 25 HG2 PRO 25 -0.443 -12.579 -0.809 193 HG3 PRO 25 HG3 PRO 25 -1.727 -12.373 0.399 194 HD2 PRO 25 HD2 PRO 25 0.108 -10.322 -0.784 195 HD3 PRO 25 HD3 PRO 25 -1.621 -10.210 -0.421 196 H ASP 26 H ASP 26 2.012 -9.782 1.229 197 HA ASP 26 HA ASP 26 3.906 -10.557 3.322 198 HB2 ASP 26 HB2 ASP 26 4.268 -9.284 0.613 199 HB3 ASP 26 HB3 ASP 26 5.573 -9.384 1.787 200 H TYR 27 H TYR 27 2.061 -7.898 2.210 201 HA TYR 27 HA TYR 27 1.937 -5.695 2.662 202 HB2 TYR 27 HB2 TYR 27 2.686 -6.923 5.234 203 HB3 TYR 27 HB3 TYR 27 2.973 -5.191 5.118 204 HD1 TYR 27 HD1 TYR 27 0.764 -4.177 3.580 205 HD2 TYR 27 HD2 TYR 27 0.779 -7.277 6.495 206 HE1 TYR 27 HE1 TYR 27 -1.597 -3.720 4.066 207 HE2 TYR 27 HE2 TYR 27 -1.588 -6.832 6.981 208 HH TYR 27 HH TYR 27 -3.533 -4.846 5.005 209 H ILE 28 H ILE 28 4.221 -6.507 1.198 210 HA ILE 28 HA ILE 28 6.208 -4.586 2.189 211 HB ILE 28 HB ILE 28 7.857 -5.744 0.752 212 HG12 ILE 28 HG12 ILE 28 5.668 -7.812 0.451 213 HG13 ILE 28 HG13 ILE 28 6.261 -6.762 -0.828 214 HG21 ILE 28 HG21 ILE 28 7.750 -6.219 3.125 215 HG22 ILE 28 HG22 ILE 28 8.159 -7.679 2.224 216 HG23 ILE 28 HG23 ILE 28 6.523 -7.455 2.845 217 HD11 ILE 28 HD11 ILE 28 8.443 -7.819 -0.697 218 HD12 ILE 28 HD12 ILE 28 7.176 -9.008 -0.996 219 HD13 ILE 28 HD13 ILE 28 7.874 -8.849 0.616 220 H CYS 29 H CYS 29 7.689 -4.120 0.136 221 HA CYS 29 HA CYS 29 6.047 -2.477 -1.606 222 HB2 CYS 29 HB2 CYS 29 8.078 -1.627 -0.445 223 HB3 CYS 29 HB3 CYS 29 9.044 -2.794 -1.322 224 HA PRO 30 HA PRO 30 6.522 -5.449 -4.908 225 HB2 PRO 30 HB2 PRO 30 5.630 -3.964 -6.965 226 HB3 PRO 30 HB3 PRO 30 4.540 -4.547 -5.703 227 HG2 PRO 30 HG2 PRO 30 5.716 -1.833 -6.087 228 HG3 PRO 30 HG3 PRO 30 4.096 -2.284 -5.534 229 HD2 PRO 30 HD2 PRO 30 6.183 -1.512 -3.888 230 HD3 PRO 30 HD3 PRO 30 4.768 -2.456 -3.365 231 H ARG 31 H ARG 31 8.210 -2.547 -4.549 232 HA ARG 31 HA ARG 31 9.851 -2.963 -6.926 233 HB2 ARG 31 HB2 ARG 31 10.299 -0.638 -5.144 234 HB3 ARG 31 HB3 ARG 31 10.343 -0.731 -6.893 235 HG2 ARG 31 HG2 ARG 31 7.810 -0.980 -6.739 236 HG3 ARG 31 HG3 ARG 31 7.986 -0.430 -5.081 237 HD2 ARG 31 HD2 ARG 31 7.526 1.502 -6.327 238 HD3 ARG 31 HD3 ARG 31 9.257 1.538 -6.018 239 HE ARG 31 HE ARG 31 8.392 0.400 -8.556 240 HH11 ARG 31 HH11 ARG 31 9.783 3.115 -6.832 241 HH12 ARG 31 HH12 ARG 31 10.315 3.921 -8.269 242 HH21 ARG 31 HH21 ARG 31 9.095 1.465 -10.448 243 HH22 ARG 31 HH22 ARG 31 9.921 2.987 -10.322 244 H CYS 32 H CYS 32 10.215 -2.469 -3.380 245 HA CYS 32 HA CYS 32 12.950 -3.505 -3.706 246 HB2 CYS 32 HB2 CYS 32 13.718 -2.092 -1.915 247 HB3 CYS 32 HB3 CYS 32 12.901 -1.103 -3.116 248 H GLU 33 H GLU 33 9.978 -4.140 -2.346 249 HA GLU 33 HA GLU 33 9.188 -5.749 -0.953 250 HB2 GLU 33 HB2 GLU 33 11.930 -6.963 -1.312 251 HB3 GLU 33 HB3 GLU 33 10.479 -7.804 -0.789 252 HG2 GLU 33 HG2 GLU 33 9.450 -7.395 -2.962 253 HG3 GLU 33 HG3 GLU 33 10.897 -6.533 -3.486 254 H SER 34 H SER 34 10.318 -3.475 0.351 255 HA SER 34 HA SER 34 11.925 -4.515 2.525 256 HB2 SER 34 HB2 SER 34 12.829 -2.483 1.981 257 HB3 SER 34 HB3 SER 34 11.283 -1.773 1.523 258 HG SER 34 HG SER 34 12.560 -1.419 3.765 259 H GLY 35 H GLY 35 8.926 -2.576 2.335 260 HA2 GLY 35 HA2 GLY 35 6.999 -3.455 3.607 261 HA3 GLY 35 HA3 GLY 35 8.154 -3.823 4.874 262 H PHE 36 H PHE 36 9.552 -1.219 4.193 263 HA PHE 36 HA PHE 36 8.175 0.479 6.005 264 HB2 PHE 36 HB2 PHE 36 10.572 0.765 4.248 265 HB3 PHE 36 HB3 PHE 36 9.851 2.208 4.947 266 HD1 PHE 36 HD1 PHE 36 11.407 -1.040 5.768 267 HD2 PHE 36 HD2 PHE 36 10.165 2.771 7.182 268 HE1 PHE 36 HE1 PHE 36 12.611 -1.439 7.878 269 HE2 PHE 36 HE2 PHE 36 11.367 2.384 9.299 270 HZ PHE 36 HZ PHE 36 12.591 0.276 9.647 271 H ILE 37 H ILE 37 6.074 0.531 5.038 272 HA ILE 37 HA ILE 37 5.874 2.525 2.892 273 HB ILE 37 HB ILE 37 3.918 1.297 1.987 274 HG12 ILE 37 HG12 ILE 37 4.788 -0.775 4.002 275 HG13 ILE 37 HG13 ILE 37 3.215 -0.033 3.841 276 HG21 ILE 37 HG21 ILE 37 5.271 -0.515 0.911 277 HG22 ILE 37 HG22 ILE 37 6.590 -0.078 2.001 278 HG23 ILE 37 HG23 ILE 37 5.977 1.100 0.838 279 HD11 ILE 37 HD11 ILE 37 3.240 -2.346 3.056 280 HD12 ILE 37 HD12 ILE 37 4.447 -1.914 1.844 281 HD13 ILE 37 HD13 ILE 37 2.830 -1.214 1.770 282 H GLU 38 H GLU 38 4.001 3.805 2.915 283 HA GLU 38 HA GLU 38 2.599 3.801 5.498 284 HB2 GLU 38 HB2 GLU 38 3.477 6.068 3.743 285 HB3 GLU 38 HB3 GLU 38 2.218 6.277 4.955 286 HG2 GLU 38 HG2 GLU 38 3.885 5.384 6.635 287 HG3 GLU 38 HG3 GLU 38 5.103 5.573 5.373 288 H GLU 39 H GLU 39 0.528 3.370 5.432 289 HA GLU 39 HA GLU 39 -0.948 3.202 3.007 290 HB2 GLU 39 HB2 GLU 39 -1.328 1.761 5.013 291 HB3 GLU 39 HB3 GLU 39 -1.934 3.163 5.870 292 HG2 GLU 39 HG2 GLU 39 -3.214 2.407 3.297 293 HG3 GLU 39 HG3 GLU 39 -3.543 1.434 4.728 294 H LEU 40 H LEU 40 -1.780 4.842 1.957 295 HA LEU 40 HA LEU 40 -1.765 7.469 3.156 296 HB2 LEU 40 HB2 LEU 40 -2.487 6.597 0.368 297 HB3 LEU 40 HB3 LEU 40 -2.283 8.254 0.892 298 HG LEU 40 HG LEU 40 -0.103 6.166 0.826 299 HD11 LEU 40 HD11 LEU 40 0.804 7.510 -1.003 300 HD12 LEU 40 HD12 LEU 40 -0.647 8.511 -0.971 301 HD13 LEU 40 HD13 LEU 40 -0.762 6.804 -1.397 302 HD21 LEU 40 HD21 LEU 40 0.270 7.773 2.601 303 HD22 LEU 40 HD22 LEU 40 -0.019 9.106 1.485 304 HD23 LEU 40 HD23 LEU 40 1.392 8.071 1.274 Start of MODEL 10 1 H1 GLY -1 H1 GLY -1 -11.829 8.530 -6.081 2 H2 GLY -1 H2 GLY -1 -12.731 8.136 -7.452 3 H3 GLY -1 H3 GLY -1 -11.577 9.366 -7.529 4 HA2 GLY -1 HA3 GLY -1 -10.720 7.402 -8.590 5 HA3 GLY -1 HA2 GLY -1 -9.810 7.763 -7.132 6 H SER 0 H SER 0 -9.627 6.224 -5.612 7 HA SER 0 HA SER 0 -10.680 3.620 -6.250 8 HB2 SER 0 HB2 SER 0 -9.304 2.927 -4.255 9 HB3 SER 0 HB3 SER 0 -8.395 3.726 -5.537 10 HG SER 0 HG SER 0 -8.494 4.397 -3.011 11 H MET 1 H MET 1 -11.436 6.198 -4.069 12 HA MET 1 HA MET 1 -12.974 4.528 -2.276 13 HB2 MET 1 HB2 MET 1 -12.569 7.515 -2.428 14 HB3 MET 1 HB3 MET 1 -13.620 6.746 -1.246 15 HG2 MET 1 HG2 MET 1 -10.659 6.311 -1.553 16 HG3 MET 1 HG3 MET 1 -11.459 7.228 -0.277 17 HE1 MET 1 HE1 MET 1 -9.347 4.931 0.299 18 HE2 MET 1 HE2 MET 1 -10.133 4.062 1.616 19 HE3 MET 1 HE3 MET 1 -10.168 5.824 1.578 20 H ALA 2 H ALA 2 -13.966 4.026 -4.650 21 HA ALA 2 HA ALA 2 -16.542 5.465 -4.693 22 HB1 ALA 2 HB1 ALA 2 -16.693 4.937 -7.082 23 HB2 ALA 2 HB2 ALA 2 -15.108 4.168 -7.012 24 HB3 ALA 2 HB3 ALA 2 -15.259 5.901 -6.727 25 H GLU 3 H GLU 3 -16.099 3.426 -2.947 26 HA GLU 3 HA GLU 3 -16.713 1.374 -2.229 27 HB2 GLU 3 HB2 GLU 3 -18.825 1.864 -4.320 28 HB3 GLU 3 HB3 GLU 3 -18.797 0.388 -3.367 29 HG2 GLU 3 HG2 GLU 3 -20.321 1.876 -2.334 30 HG3 GLU 3 HG3 GLU 3 -18.888 1.803 -1.314 31 H ALA 4 H ALA 4 -14.542 1.135 -3.467 32 HA ALA 4 HA ALA 4 -14.797 -1.239 -5.152 33 HB1 ALA 4 HB1 ALA 4 -13.158 -0.411 -6.741 34 HB2 ALA 4 HB2 ALA 4 -13.040 1.109 -5.855 35 HB3 ALA 4 HB3 ALA 4 -14.544 0.677 -6.670 36 H SER 5 H SER 5 -12.602 0.913 -3.360 37 HA SER 5 HA SER 5 -11.101 -1.492 -2.565 38 HB2 SER 5 HB2 SER 5 -9.927 1.239 -3.139 39 HB3 SER 5 HB3 SER 5 -9.030 -0.197 -2.644 40 HG SER 5 HG SER 5 -10.235 -1.071 -4.675 41 HA PRO 6 HA PRO 6 -12.208 0.717 1.305 42 HB2 PRO 6 HB2 PRO 6 -13.678 -1.205 2.466 43 HB3 PRO 6 HB3 PRO 6 -14.365 -0.102 1.273 44 HG2 PRO 6 HG2 PRO 6 -13.627 -2.950 0.999 45 HG3 PRO 6 HG3 PRO 6 -14.858 -2.018 0.137 46 HD2 PRO 6 HD2 PRO 6 -12.255 -2.701 -0.774 47 HD3 PRO 6 HD3 PRO 6 -13.431 -1.645 -1.575 48 H HIS 7 H HIS 7 -9.913 -0.966 0.464 49 HA HIS 7 HA HIS 7 -9.060 -1.780 3.131 50 HB2 HIS 7 HB2 HIS 7 -8.057 -3.857 2.289 51 HB3 HIS 7 HB3 HIS 7 -9.789 -3.864 2.048 52 HD1 HIS 7 HD1 HIS 7 -10.570 -4.457 -0.236 53 HD2 HIS 7 HD2 HIS 7 -6.582 -3.284 -0.204 54 HE1 HIS 7 HE1 HIS 7 -9.722 -4.881 -2.563 55 HE2 HIS 7 HE2 HIS 7 -7.345 -4.046 -2.557 56 HA PRO 8 HA PRO 8 -5.358 0.423 2.307 57 HB2 PRO 8 HB2 PRO 8 -3.838 -2.057 2.947 58 HB3 PRO 8 HB3 PRO 8 -3.676 -0.431 3.620 59 HG2 PRO 8 HG2 PRO 8 -4.852 -2.362 5.008 60 HG3 PRO 8 HG3 PRO 8 -5.471 -0.702 5.054 61 HD2 PRO 8 HD2 PRO 8 -6.541 -3.086 3.621 62 HD3 PRO 8 HD3 PRO 8 -7.412 -1.745 4.390 63 H GLY 9 H GLY 9 -4.542 0.924 0.366 64 HA2 GLY 9 HA2 GLY 9 -3.518 -1.226 -1.333 65 HA3 GLY 9 HA3 GLY 9 -4.805 -0.221 -1.986 66 H ARG 10 H ARG 10 -4.182 2.230 -1.136 67 HA ARG 10 HA ARG 10 -1.823 2.885 -2.636 68 HB2 ARG 10 HB2 ARG 10 -2.468 5.239 -1.969 69 HB3 ARG 10 HB3 ARG 10 -3.654 4.359 -2.916 70 HG2 ARG 10 HG2 ARG 10 -5.020 3.978 -1.049 71 HG3 ARG 10 HG3 ARG 10 -3.769 4.498 0.078 72 HD2 ARG 10 HD2 ARG 10 -5.048 6.392 -0.004 73 HD3 ARG 10 HD3 ARG 10 -3.950 6.710 -1.341 74 HE ARG 10 HE ARG 10 -6.029 5.388 -2.501 75 HH11 ARG 10 HH11 ARG 10 -5.734 8.283 -0.554 76 HH12 ARG 10 HH12 ARG 10 -7.104 9.061 -1.274 77 HH21 ARG 10 HH21 ARG 10 -7.854 6.405 -3.439 78 HH22 ARG 10 HH22 ARG 10 -8.299 8.004 -2.919 79 H TYR 11 H TYR 11 0.045 2.492 -1.687 80 HA TYR 11 HA TYR 11 0.433 3.474 1.062 81 HB2 TYR 11 HB2 TYR 11 1.442 1.024 -0.312 82 HB3 TYR 11 HB3 TYR 11 2.463 1.801 0.889 83 HD1 TYR 11 HD2 TYR 11 -1.051 0.565 0.488 84 HD2 TYR 11 HD1 TYR 11 2.271 1.173 3.073 85 HE1 TYR 11 HE2 TYR 11 -2.242 -0.605 2.302 86 HE2 TYR 11 HE1 TYR 11 1.106 0.008 4.882 87 HH TYR 11 HH TYR 11 -1.124 -0.585 5.559 88 H PHE 12 H PHE 12 2.629 4.213 1.505 89 HA PHE 12 HA PHE 12 4.004 5.138 -0.917 90 HB2 PHE 12 HB2 PHE 12 2.683 6.894 0.420 91 HB3 PHE 12 HB3 PHE 12 3.956 6.734 1.632 92 HD1 PHE 12 HD1 PHE 12 3.140 7.744 -1.768 93 HD2 PHE 12 HD2 PHE 12 6.139 7.614 1.239 94 HE1 PHE 12 HE1 PHE 12 4.513 9.317 -3.078 95 HE2 PHE 12 HE2 PHE 12 7.533 9.184 -0.067 96 HZ PHE 12 HZ PHE 12 6.708 10.042 -2.226 97 H CYS 13 H CYS 13 5.851 4.097 -1.044 98 HA CYS 13 HA CYS 13 7.056 2.865 1.250 99 HB2 CYS 13 HB2 CYS 13 7.191 1.686 -0.838 100 HB3 CYS 13 HB3 CYS 13 7.916 3.075 -1.638 101 H HIS 14 H HIS 14 8.718 3.531 2.432 102 HA HIS 14 HA HIS 14 9.622 6.251 2.127 103 HB2 HIS 14 HB2 HIS 14 9.919 4.109 4.180 104 HB3 HIS 14 HB3 HIS 14 11.083 5.432 4.179 105 HD1 HIS 14 HD1 HIS 14 10.399 7.053 5.920 106 HD2 HIS 14 HD2 HIS 14 7.131 5.524 3.860 107 HE1 HIS 14 HE1 HIS 14 8.395 8.234 6.859 108 HE2 HIS 14 HE2 HIS 14 6.460 7.455 5.450 109 H CYS 15 H CYS 15 10.810 3.099 1.372 110 HA CYS 15 HA CYS 15 13.563 3.866 1.109 111 HB2 CYS 15 HB2 CYS 15 12.846 1.536 1.585 112 HB3 CYS 15 HB3 CYS 15 12.113 1.455 -0.008 113 HG CYS 15 HG CYS 15 15.379 1.328 0.855 114 H CYS 16 H CYS 16 10.863 3.306 -1.102 115 HA CYS 16 HA CYS 16 12.470 4.110 -3.394 116 HB2 CYS 16 HB2 CYS 16 9.566 3.277 -3.251 117 HB3 CYS 16 HB3 CYS 16 10.477 3.561 -4.722 118 H SER 17 H SER 17 10.437 5.488 -1.129 119 HA SER 17 HA SER 17 9.222 7.358 -0.873 120 HB2 SER 17 HB2 SER 17 10.242 9.452 -1.770 121 HB3 SER 17 HB3 SER 17 11.354 8.436 -0.860 122 HG SER 17 HG SER 17 11.412 7.770 -3.473 123 H VAL 18 H VAL 18 8.090 5.703 -2.725 124 HA VAL 18 HA VAL 18 6.696 7.650 -4.410 125 HB VAL 18 HB VAL 18 6.535 6.094 -6.272 126 HG11 VAL 18 HG11 VAL 18 8.401 7.683 -6.245 127 HG12 VAL 18 HG12 VAL 18 8.816 6.192 -7.091 128 HG13 VAL 18 HG13 VAL 18 9.410 6.471 -5.453 129 HG21 VAL 18 HG21 VAL 18 6.664 3.999 -5.055 130 HG22 VAL 18 HG22 VAL 18 8.352 4.311 -4.660 131 HG23 VAL 18 HG23 VAL 18 7.877 4.038 -6.335 132 H GLU 19 H GLU 19 4.606 6.811 -5.175 133 HA GLU 19 HA GLU 19 3.248 5.487 -2.985 134 HB2 GLU 19 HB2 GLU 19 2.429 7.484 -4.534 135 HB3 GLU 19 HB3 GLU 19 1.844 6.165 -5.534 136 HG2 GLU 19 HG2 GLU 19 0.759 5.303 -3.390 137 HG3 GLU 19 HG3 GLU 19 1.067 6.903 -2.744 138 H ILE 20 H ILE 20 2.545 3.433 -2.974 139 HA ILE 20 HA ILE 20 2.886 1.800 -5.406 140 HB ILE 20 HB ILE 20 3.841 -0.022 -3.980 141 HG12 ILE 20 HG12 ILE 20 4.769 1.819 -1.912 142 HG13 ILE 20 HG13 ILE 20 3.031 1.561 -1.882 143 HG21 ILE 20 HG21 ILE 20 5.459 2.517 -4.094 144 HG22 ILE 20 HG22 ILE 20 5.304 1.317 -5.377 145 HG23 ILE 20 HG23 ILE 20 6.109 0.893 -3.866 146 HD11 ILE 20 HD11 ILE 20 4.132 0.017 -0.410 147 HD12 ILE 20 HD12 ILE 20 5.167 -0.548 -1.722 148 HD13 ILE 20 HD13 ILE 20 3.431 -0.862 -1.770 149 H VAL 21 H VAL 21 1.863 -0.295 -5.231 150 HA VAL 21 HA VAL 21 -0.228 -0.462 -3.164 151 HB VAL 21 HB VAL 21 -1.352 -0.312 -5.258 152 HG11 VAL 21 HG11 VAL 21 -0.843 -1.700 -7.191 153 HG12 VAL 21 HG12 VAL 21 0.480 -2.459 -6.306 154 HG13 VAL 21 HG13 VAL 21 0.561 -0.743 -6.708 155 HG21 VAL 21 HG21 VAL 21 -2.447 -2.495 -5.469 156 HG22 VAL 21 HG22 VAL 21 -2.242 -2.024 -3.781 157 HG23 VAL 21 HG23 VAL 21 -1.168 -3.226 -4.499 158 HA PRO 22 HA PRO 22 2.822 -3.404 -1.809 159 HB2 PRO 22 HB2 PRO 22 0.857 -3.993 0.303 160 HB3 PRO 22 HB3 PRO 22 2.501 -3.392 0.442 161 HG2 PRO 22 HG2 PRO 22 0.398 -1.829 0.917 162 HG3 PRO 22 HG3 PRO 22 1.872 -1.202 0.156 163 HD2 PRO 22 HD2 PRO 22 -0.739 -1.944 -1.095 164 HD3 PRO 22 HD3 PRO 22 0.325 -0.565 -1.439 165 H ARG 23 H ARG 23 3.151 -5.577 -1.779 166 HA ARG 23 HA ARG 23 1.181 -7.376 -2.794 167 HB2 ARG 23 HB2 ARG 23 3.732 -7.928 -1.247 168 HB3 ARG 23 HB3 ARG 23 2.798 -9.130 -2.116 169 HG2 ARG 23 HG2 ARG 23 3.295 -7.982 -4.223 170 HG3 ARG 23 HG3 ARG 23 4.243 -6.787 -3.335 171 HD2 ARG 23 HD2 ARG 23 5.647 -8.667 -2.484 172 HD3 ARG 23 HD3 ARG 23 4.780 -9.740 -3.579 173 HE ARG 23 HE ARG 23 5.678 -7.809 -5.230 174 HH11 ARG 23 HH11 ARG 23 7.224 -9.824 -2.827 175 HH12 ARG 23 HH12 ARG 23 8.781 -9.785 -3.602 176 HH21 ARG 23 HH21 ARG 23 7.706 -7.788 -6.289 177 HH22 ARG 23 HH22 ARG 23 9.043 -8.656 -5.598 178 H LEU 24 H LEU 24 -0.624 -7.562 -1.583 179 HA LEU 24 HA LEU 24 -0.787 -6.756 1.060 180 HB2 LEU 24 HB2 LEU 24 -2.552 -7.491 -0.950 181 HB3 LEU 24 HB3 LEU 24 -2.924 -8.541 0.400 182 HG LEU 24 HG LEU 24 -4.244 -6.427 0.342 183 HD11 LEU 24 HD11 LEU 24 -4.006 -7.650 2.414 184 HD12 LEU 24 HD12 LEU 24 -3.962 -5.915 2.727 185 HD13 LEU 24 HD13 LEU 24 -2.467 -6.850 2.733 186 HD21 LEU 24 HD21 LEU 24 -3.213 -4.341 0.928 187 HD22 LEU 24 HD22 LEU 24 -2.394 -4.997 -0.490 188 HD23 LEU 24 HD23 LEU 24 -1.640 -5.116 1.097 189 HA PRO 25 HA PRO 25 -0.848 -11.561 2.283 190 HB2 PRO 25 HB2 PRO 25 1.326 -12.228 0.352 191 HB3 PRO 25 HB3 PRO 25 0.038 -13.259 0.986 192 HG2 PRO 25 HG2 PRO 25 -0.129 -12.310 -1.465 193 HG3 PRO 25 HG3 PRO 25 -1.561 -12.303 -0.419 194 HD2 PRO 25 HD2 PRO 25 0.254 -10.047 -1.159 195 HD3 PRO 25 HD3 PRO 25 -1.508 -10.067 -0.981 196 H ASP 26 H ASP 26 1.885 -9.615 1.193 197 HA ASP 26 HA ASP 26 3.448 -10.553 3.507 198 HB2 ASP 26 HB2 ASP 26 4.370 -9.375 0.884 199 HB3 ASP 26 HB3 ASP 26 5.441 -9.748 2.230 200 H TYR 27 H TYR 27 1.896 -7.886 2.130 201 HA TYR 27 HA TYR 27 1.726 -5.689 2.577 202 HB2 TYR 27 HB2 TYR 27 2.351 -6.888 5.195 203 HB3 TYR 27 HB3 TYR 27 2.642 -5.157 5.074 204 HD1 TYR 27 HD2 TYR 27 0.511 -4.157 3.430 205 HD2 TYR 27 HD1 TYR 27 0.390 -7.237 6.364 206 HE1 TYR 27 HE2 TYR 27 -1.877 -3.706 3.789 207 HE2 TYR 27 HE1 TYR 27 -1.999 -6.796 6.734 208 HH TYR 27 HH TYR 27 -3.897 -5.016 4.658 209 H ILE 28 H ILE 28 4.067 -6.454 1.200 210 HA ILE 28 HA ILE 28 6.001 -4.518 2.281 211 HB ILE 28 HB ILE 28 7.717 -5.699 0.908 212 HG12 ILE 28 HG12 ILE 28 5.592 -7.837 0.684 213 HG13 ILE 28 HG13 ILE 28 6.143 -6.823 -0.641 214 HG21 ILE 28 HG21 ILE 28 6.359 -7.310 3.056 215 HG22 ILE 28 HG22 ILE 28 7.576 -6.055 3.291 216 HG23 ILE 28 HG23 ILE 28 8.005 -7.559 2.474 217 HD11 ILE 28 HD11 ILE 28 7.805 -8.813 0.883 218 HD12 ILE 28 HD12 ILE 28 8.388 -7.777 -0.420 219 HD13 ILE 28 HD13 ILE 28 7.168 -9.007 -0.750 220 H CYS 29 H CYS 29 7.586 -4.051 0.283 221 HA CYS 29 HA CYS 29 5.985 -2.440 -1.530 222 HB2 CYS 29 HB2 CYS 29 8.004 -1.573 -0.323 223 HB3 CYS 29 HB3 CYS 29 8.986 -2.709 -1.221 224 HA PRO 30 HA PRO 30 6.513 -5.457 -4.758 225 HB2 PRO 30 HB2 PRO 30 5.596 -4.002 -6.836 226 HB3 PRO 30 HB3 PRO 30 4.519 -4.631 -5.585 227 HG2 PRO 30 HG2 PRO 30 5.577 -1.870 -5.961 228 HG3 PRO 30 HG3 PRO 30 3.982 -2.394 -5.395 229 HD2 PRO 30 HD2 PRO 30 6.053 -1.530 -3.772 230 HD3 PRO 30 HD3 PRO 30 4.680 -2.522 -3.230 231 H ARG 31 H ARG 31 8.048 -2.426 -4.541 232 HA ARG 31 HA ARG 31 9.758 -2.893 -6.839 233 HB2 ARG 31 HB2 ARG 31 10.131 -0.588 -4.986 234 HB3 ARG 31 HB3 ARG 31 10.356 -0.669 -6.724 235 HG2 ARG 31 HG2 ARG 31 7.724 -1.050 -6.614 236 HG3 ARG 31 HG3 ARG 31 7.936 -0.117 -5.140 237 HD2 ARG 31 HD2 ARG 31 7.473 1.399 -6.919 238 HD3 ARG 31 HD3 ARG 31 9.162 1.582 -6.460 239 HE ARG 31 HE ARG 31 8.360 -0.045 -8.783 240 HH11 ARG 31 HH11 ARG 31 10.284 2.545 -7.397 241 HH12 ARG 31 HH12 ARG 31 11.201 2.801 -8.843 242 HH21 ARG 31 HH21 ARG 31 9.582 0.287 -10.672 243 HH22 ARG 31 HH22 ARG 31 10.820 1.505 -10.697 244 H CYS 32 H CYS 32 10.113 -2.448 -3.280 245 HA CYS 32 HA CYS 32 12.847 -3.474 -3.639 246 HB2 CYS 32 HB2 CYS 32 13.647 -2.043 -1.869 247 HB3 CYS 32 HB3 CYS 32 12.826 -1.069 -3.080 248 H GLU 33 H GLU 33 9.899 -4.133 -2.229 249 HA GLU 33 HA GLU 33 9.155 -5.709 -0.761 250 HB2 GLU 33 HB2 GLU 33 11.901 -6.908 -1.132 251 HB3 GLU 33 HB3 GLU 33 10.473 -7.742 -0.544 252 HG2 GLU 33 HG2 GLU 33 9.406 -7.505 -2.698 253 HG3 GLU 33 HG3 GLU 33 10.775 -6.568 -3.298 254 H SER 34 H SER 34 10.092 -3.431 0.459 255 HA SER 34 HA SER 34 11.974 -4.165 2.538 256 HB2 SER 34 HB2 SER 34 12.430 -2.061 1.562 257 HB3 SER 34 HB3 SER 34 10.743 -1.563 1.651 258 HG SER 34 HG SER 34 12.728 -1.458 3.558 259 H GLY 35 H GLY 35 8.750 -2.637 2.450 260 HA2 GLY 35 HA2 GLY 35 7.012 -3.411 3.962 261 HA3 GLY 35 HA3 GLY 35 8.285 -3.720 5.132 262 H PHE 36 H PHE 36 9.603 -1.156 4.226 263 HA PHE 36 HA PHE 36 8.367 0.621 6.078 264 HB2 PHE 36 HB2 PHE 36 10.610 0.949 4.095 265 HB3 PHE 36 HB3 PHE 36 10.011 2.300 5.046 266 HD1 PHE 36 HD2 PHE 36 10.914 -1.258 5.734 267 HD2 PHE 36 HD1 PHE 36 11.322 2.831 6.814 268 HE1 PHE 36 HE2 PHE 36 12.398 -1.903 7.586 269 HE2 PHE 36 HE1 PHE 36 12.806 2.198 8.673 270 HZ PHE 36 HZ PHE 36 13.346 -0.172 9.059 271 H ILE 37 H ILE 37 6.214 0.643 5.166 272 HA ILE 37 HA ILE 37 5.956 2.587 2.988 273 HB ILE 37 HB ILE 37 4.040 1.290 2.082 274 HG12 ILE 37 HG12 ILE 37 5.006 -0.782 4.058 275 HG13 ILE 37 HG13 ILE 37 3.412 -0.071 3.957 276 HG21 ILE 37 HG21 ILE 37 5.466 -0.470 1.003 277 HG22 ILE 37 HG22 ILE 37 6.766 0.028 2.089 278 HG23 ILE 37 HG23 ILE 37 6.100 1.174 0.926 279 HD11 ILE 37 HD11 ILE 37 3.448 -2.360 3.118 280 HD12 ILE 37 HD12 ILE 37 4.632 -1.893 1.896 281 HD13 ILE 37 HD13 ILE 37 3.006 -1.212 1.855 282 H GLU 38 H GLU 38 4.062 3.829 3.024 283 HA GLU 38 HA GLU 38 2.718 3.824 5.639 284 HB2 GLU 38 HB2 GLU 38 3.583 6.052 3.844 285 HB3 GLU 38 HB3 GLU 38 2.240 6.294 4.957 286 HG2 GLU 38 HG2 GLU 38 3.779 5.525 6.794 287 HG3 GLU 38 HG3 GLU 38 5.089 5.624 5.617 288 H GLU 39 H GLU 39 0.679 3.287 5.643 289 HA GLU 39 HA GLU 39 -0.912 3.061 3.291 290 HB2 GLU 39 HB2 GLU 39 -1.060 1.675 5.428 291 HB3 GLU 39 HB3 GLU 39 -1.859 3.050 6.161 292 HG2 GLU 39 HG2 GLU 39 -2.896 1.749 3.671 293 HG3 GLU 39 HG3 GLU 39 -3.306 1.160 5.278 294 H LEU 40 H LEU 40 -1.781 4.714 2.275 295 HA LEU 40 HA LEU 40 -1.761 7.331 3.447 296 HB2 LEU 40 HB2 LEU 40 -2.782 6.390 0.779 297 HB3 LEU 40 HB3 LEU 40 -2.601 8.067 1.252 298 HG LEU 40 HG LEU 40 -0.352 6.079 0.950 299 HD11 LEU 40 HD11 LEU 40 -1.214 6.621 -1.188 300 HD12 LEU 40 HD12 LEU 40 0.283 7.522 -0.955 301 HD13 LEU 40 HD13 LEU 40 -1.271 8.338 -0.791 302 HD21 LEU 40 HD21 LEU 40 1.102 8.047 1.214 303 HD22 LEU 40 HD22 LEU 40 0.160 7.713 2.664 304 HD23 LEU 40 HD23 LEU 40 -0.317 9.025 1.586 Start of MODEL 11 1 H1 GLY -1 H1 GLY -1 -13.862 -2.772 16.848 2 H2 GLY -1 H2 GLY -1 -13.375 -3.436 15.372 3 H3 GLY -1 H3 GLY -1 -14.571 -2.245 15.406 4 HA2 GLY -1 HA3 GLY -1 -12.988 -0.622 16.213 5 HA3 GLY -1 HA2 GLY -1 -11.741 -1.861 16.196 6 H SER 0 H SER 0 -11.068 0.226 14.845 7 HA SER 0 HA SER 0 -10.545 1.187 12.878 8 HB2 SER 0 HB2 SER 0 -9.869 -0.367 11.065 9 HB3 SER 0 HB3 SER 0 -9.216 -0.821 12.637 10 HG SER 0 HG SER 0 -11.620 -1.994 12.185 11 H MET 1 H MET 1 -12.574 2.300 12.782 12 HA MET 1 HA MET 1 -14.670 1.249 11.099 13 HB2 MET 1 HB2 MET 1 -15.695 3.510 11.397 14 HB3 MET 1 HB3 MET 1 -15.362 2.670 12.902 15 HG2 MET 1 HG2 MET 1 -13.475 4.041 13.344 16 HG3 MET 1 HG3 MET 1 -13.532 4.746 11.729 17 HE1 MET 1 HE1 MET 1 -15.177 6.537 10.942 18 HE2 MET 1 HE2 MET 1 -16.592 7.081 11.844 19 HE3 MET 1 HE3 MET 1 -16.531 5.438 11.206 20 H ALA 2 H ALA 2 -12.453 1.127 9.634 21 HA ALA 2 HA ALA 2 -12.849 3.240 7.628 22 HB1 ALA 2 HB1 ALA 2 -10.737 3.653 8.819 23 HB2 ALA 2 HB2 ALA 2 -10.466 3.234 7.128 24 HB3 ALA 2 HB3 ALA 2 -10.188 2.033 8.388 25 H GLU 3 H GLU 3 -14.214 0.880 7.643 26 HA GLU 3 HA GLU 3 -12.817 -0.959 5.879 27 HB2 GLU 3 HB2 GLU 3 -15.504 -1.200 7.234 28 HB3 GLU 3 HB3 GLU 3 -14.760 -2.440 6.236 29 HG2 GLU 3 HG2 GLU 3 -12.878 -2.531 7.806 30 HG3 GLU 3 HG3 GLU 3 -13.717 -1.380 8.843 31 H ALA 4 H ALA 4 -14.207 1.800 5.303 32 HA ALA 4 HA ALA 4 -16.173 1.339 3.355 33 HB1 ALA 4 HB1 ALA 4 -15.632 3.548 2.502 34 HB2 ALA 4 HB2 ALA 4 -14.109 3.543 3.390 35 HB3 ALA 4 HB3 ALA 4 -15.641 3.569 4.264 36 H SER 5 H SER 5 -12.676 1.323 3.236 37 HA SER 5 HA SER 5 -12.799 0.064 0.587 38 HB2 SER 5 HB2 SER 5 -10.392 1.135 2.086 39 HB3 SER 5 HB3 SER 5 -10.410 0.534 0.428 40 HG SER 5 HG SER 5 -12.293 2.423 0.711 41 HA PRO 6 HA PRO 6 -12.804 -3.742 3.022 42 HB2 PRO 6 HB2 PRO 6 -12.134 -4.704 0.269 43 HB3 PRO 6 HB3 PRO 6 -13.290 -5.355 1.439 44 HG2 PRO 6 HG2 PRO 6 -14.148 -3.899 -0.601 45 HG3 PRO 6 HG3 PRO 6 -14.860 -3.693 1.012 46 HD2 PRO 6 HD2 PRO 6 -12.949 -1.938 -0.456 47 HD3 PRO 6 HD3 PRO 6 -14.245 -1.502 0.673 48 H HIS 7 H HIS 7 -10.256 -2.843 0.721 49 HA HIS 7 HA HIS 7 -8.310 -3.782 2.669 50 HB2 HIS 7 HB2 HIS 7 -6.987 -5.035 1.093 51 HB3 HIS 7 HB3 HIS 7 -8.615 -5.677 1.071 52 HD1 HIS 7 HD1 HIS 7 -6.212 -3.664 -1.015 53 HD2 HIS 7 HD2 HIS 7 -9.909 -5.538 -1.373 54 HE1 HIS 7 HE1 HIS 7 -6.739 -3.661 -3.473 55 HE2 HIS 7 HE2 HIS 7 -8.970 -4.814 -3.672 56 HA PRO 8 HA PRO 8 -6.321 0.071 1.531 57 HB2 PRO 8 HB2 PRO 8 -3.933 -1.425 2.492 58 HB3 PRO 8 HB3 PRO 8 -4.518 0.175 2.966 59 HG2 PRO 8 HG2 PRO 8 -4.822 -1.891 4.594 60 HG3 PRO 8 HG3 PRO 8 -6.135 -0.711 4.394 61 HD2 PRO 8 HD2 PRO 8 -5.845 -3.446 3.202 62 HD3 PRO 8 HD3 PRO 8 -7.284 -2.662 3.886 63 H GLY 9 H GLY 9 -4.676 0.780 0.012 64 HA2 GLY 9 HA2 GLY 9 -3.440 -1.260 -1.651 65 HA3 GLY 9 HA3 GLY 9 -4.673 -0.288 -2.438 66 H ARG 10 H ARG 10 -4.279 2.178 -1.570 67 HA ARG 10 HA ARG 10 -1.886 2.990 -2.878 68 HB2 ARG 10 HB2 ARG 10 -2.601 5.288 -2.076 69 HB3 ARG 10 HB3 ARG 10 -3.741 4.434 -3.108 70 HG2 ARG 10 HG2 ARG 10 -5.187 3.982 -1.346 71 HG3 ARG 10 HG3 ARG 10 -3.955 4.292 -0.126 72 HD2 ARG 10 HD2 ARG 10 -4.691 6.371 0.036 73 HD3 ARG 10 HD3 ARG 10 -4.220 6.652 -1.638 74 HE ARG 10 HE ARG 10 -6.521 5.743 -2.189 75 HH11 ARG 10 HH11 ARG 10 -5.824 7.363 0.837 76 HH12 ARG 10 HH12 ARG 10 -7.429 8.012 1.001 77 HH21 ARG 10 HH21 ARG 10 -8.648 6.559 -1.944 78 HH22 ARG 10 HH22 ARG 10 -9.037 7.537 -0.563 79 H TYR 11 H TYR 11 0.002 2.594 -1.933 80 HA TYR 11 HA TYR 11 0.371 3.567 0.823 81 HB2 TYR 11 HB2 TYR 11 1.449 1.128 -0.533 82 HB3 TYR 11 HB3 TYR 11 2.404 1.916 0.716 83 HD1 TYR 11 HD2 TYR 11 -1.079 0.676 0.164 84 HD2 TYR 11 HD1 TYR 11 2.149 1.214 2.875 85 HE1 TYR 11 HE2 TYR 11 -2.327 -0.533 1.891 86 HE2 TYR 11 HE1 TYR 11 0.917 0.007 4.609 87 HH TYR 11 HH TYR 11 -1.856 -1.828 3.945 88 H PHE 12 H PHE 12 2.595 4.247 1.285 89 HA PHE 12 HA PHE 12 4.030 5.175 -1.103 90 HB2 PHE 12 HB2 PHE 12 2.714 6.954 0.215 91 HB3 PHE 12 HB3 PHE 12 3.948 6.756 1.454 92 HD1 PHE 12 HD1 PHE 12 3.277 7.787 -1.984 93 HD2 PHE 12 HD2 PHE 12 6.136 7.641 1.156 94 HE1 PHE 12 HE1 PHE 12 4.711 9.361 -3.225 95 HE2 PHE 12 HE2 PHE 12 7.588 9.213 -0.077 96 HZ PHE 12 HZ PHE 12 6.865 10.080 -2.267 97 H CYS 13 H CYS 13 5.868 4.098 -1.165 98 HA CYS 13 HA CYS 13 6.937 2.820 1.167 99 HB2 CYS 13 HB2 CYS 13 7.150 1.656 -0.917 100 HB3 CYS 13 HB3 CYS 13 7.930 3.037 -1.672 101 H HIS 14 H HIS 14 8.457 3.524 2.504 102 HA HIS 14 HA HIS 14 9.472 6.205 2.189 103 HB2 HIS 14 HB2 HIS 14 9.453 4.156 4.345 104 HB3 HIS 14 HB3 HIS 14 10.737 5.361 4.391 105 HD1 HIS 14 HD1 HIS 14 9.639 6.302 6.586 106 HD2 HIS 14 HD2 HIS 14 7.303 6.642 3.164 107 HE1 HIS 14 HE1 HIS 14 7.823 7.938 7.168 108 HE2 HIS 14 HE2 HIS 14 6.383 8.085 5.108 109 H CYS 15 H CYS 15 10.526 3.089 1.379 110 HA CYS 15 HA CYS 15 13.351 3.725 1.413 111 HB2 CYS 15 HB2 CYS 15 12.477 1.432 1.877 112 HB3 CYS 15 HB3 CYS 15 11.926 1.339 0.213 113 HG CYS 15 HG CYS 15 14.413 -0.097 0.910 114 H CYS 16 H CYS 16 10.764 3.322 -0.948 115 HA CYS 16 HA CYS 16 12.554 4.036 -3.143 116 HB2 CYS 16 HB2 CYS 16 9.626 3.285 -3.156 117 HB3 CYS 16 HB3 CYS 16 10.585 3.616 -4.585 118 H SER 17 H SER 17 10.477 5.518 -0.987 119 HA SER 17 HA SER 17 9.267 7.403 -0.832 120 HB2 SER 17 HB2 SER 17 10.361 9.471 -1.700 121 HB3 SER 17 HB3 SER 17 11.409 8.454 -0.718 122 HG SER 17 HG SER 17 11.571 7.798 -3.352 123 H VAL 18 H VAL 18 8.205 5.729 -2.671 124 HA VAL 18 HA VAL 18 6.906 7.622 -4.484 125 HB VAL 18 HB VAL 18 6.831 6.008 -6.308 126 HG11 VAL 18 HG11 VAL 18 9.150 6.089 -7.026 127 HG12 VAL 18 HG12 VAL 18 9.663 6.440 -5.375 128 HG13 VAL 18 HG13 VAL 18 8.681 7.609 -6.262 129 HG21 VAL 18 HG21 VAL 18 8.570 4.292 -4.552 130 HG22 VAL 18 HG22 VAL 18 8.201 3.967 -6.244 131 HG23 VAL 18 HG23 VAL 18 6.912 3.953 -5.041 132 H GLU 19 H GLU 19 4.867 6.736 -5.338 133 HA GLU 19 HA GLU 19 3.392 5.548 -3.136 134 HB2 GLU 19 HB2 GLU 19 2.646 7.576 -4.510 135 HB3 GLU 19 HB3 GLU 19 2.278 6.435 -5.794 136 HG2 GLU 19 HG2 GLU 19 1.005 5.302 -3.699 137 HG3 GLU 19 HG3 GLU 19 0.861 7.009 -3.300 138 H ILE 20 H ILE 20 2.732 3.477 -3.082 139 HA ILE 20 HA ILE 20 3.075 1.835 -5.514 140 HB ILE 20 HB ILE 20 3.962 0.007 -4.061 141 HG12 ILE 20 HG12 ILE 20 4.866 1.805 -1.957 142 HG13 ILE 20 HG13 ILE 20 3.117 1.631 -1.987 143 HG21 ILE 20 HG21 ILE 20 5.578 2.545 -4.175 144 HG22 ILE 20 HG22 ILE 20 5.509 1.266 -5.390 145 HG23 ILE 20 HG23 ILE 20 6.235 0.948 -3.815 146 HD11 ILE 20 HD11 ILE 20 3.418 -0.819 -1.904 147 HD12 ILE 20 HD12 ILE 20 4.054 0.023 -0.492 148 HD13 ILE 20 HD13 ILE 20 5.155 -0.562 -1.739 149 H VAL 21 H VAL 21 2.048 -0.265 -5.373 150 HA VAL 21 HA VAL 21 -0.115 -0.443 -3.386 151 HB VAL 21 HB VAL 21 -1.180 -0.295 -5.502 152 HG11 VAL 21 HG11 VAL 21 0.743 -2.378 -6.518 153 HG12 VAL 21 HG12 VAL 21 0.766 -0.659 -6.909 154 HG13 VAL 21 HG13 VAL 21 -0.587 -1.666 -7.431 155 HG21 VAL 21 HG21 VAL 21 -0.973 -3.216 -4.779 156 HG22 VAL 21 HG22 VAL 21 -2.229 -2.496 -5.786 157 HG23 VAL 21 HG23 VAL 21 -2.095 -2.044 -4.086 158 HA PRO 22 HA PRO 22 2.922 -3.381 -1.969 159 HB2 PRO 22 HB2 PRO 22 0.958 -3.947 0.142 160 HB3 PRO 22 HB3 PRO 22 2.598 -3.316 0.274 161 HG2 PRO 22 HG2 PRO 22 0.465 -1.776 0.716 162 HG3 PRO 22 HG3 PRO 22 1.928 -1.138 -0.056 163 HD2 PRO 22 HD2 PRO 22 -0.661 -1.973 -1.299 164 HD3 PRO 22 HD3 PRO 22 0.358 -0.563 -1.655 165 H ARG 23 H ARG 23 3.221 -5.577 -1.684 166 HA ARG 23 HA ARG 23 1.227 -7.402 -2.674 167 HB2 ARG 23 HB2 ARG 23 3.815 -7.925 -1.183 168 HB3 ARG 23 HB3 ARG 23 2.840 -9.145 -1.977 169 HG2 ARG 23 HG2 ARG 23 3.283 -8.076 -4.141 170 HG3 ARG 23 HG3 ARG 23 4.293 -6.879 -3.326 171 HD2 ARG 23 HD2 ARG 23 5.672 -8.772 -2.457 172 HD3 ARG 23 HD3 ARG 23 4.741 -9.849 -3.489 173 HE ARG 23 HE ARG 23 5.616 -8.063 -5.264 174 HH11 ARG 23 HH11 ARG 23 7.248 -9.845 -2.744 175 HH12 ARG 23 HH12 ARG 23 8.808 -9.787 -3.516 176 HH21 ARG 23 HH21 ARG 23 7.655 -8.010 -6.325 177 HH22 ARG 23 HH22 ARG 23 9.024 -8.770 -5.579 178 H LEU 24 H LEU 24 -0.547 -7.583 -1.423 179 HA LEU 24 HA LEU 24 -0.695 -6.626 1.169 180 HB2 LEU 24 HB2 LEU 24 -2.452 -7.628 -0.792 181 HB3 LEU 24 HB3 LEU 24 -2.832 -8.418 0.722 182 HG LEU 24 HG LEU 24 -4.128 -6.337 0.307 183 HD11 LEU 24 HD11 LEU 24 -2.319 -6.270 2.709 184 HD12 LEU 24 HD12 LEU 24 -3.815 -7.192 2.569 185 HD13 LEU 24 HD13 LEU 24 -3.860 -5.430 2.548 186 HD21 LEU 24 HD21 LEU 24 -2.279 -5.110 -0.798 187 HD22 LEU 24 HD22 LEU 24 -1.502 -4.941 0.777 188 HD23 LEU 24 HD23 LEU 24 -3.072 -4.193 0.481 189 HA PRO 25 HA PRO 25 -0.793 -11.357 2.669 190 HB2 PRO 25 HB2 PRO 25 1.308 -12.200 0.723 191 HB3 PRO 25 HB3 PRO 25 0.014 -13.153 1.455 192 HG2 PRO 25 HG2 PRO 25 -0.226 -12.351 -1.034 193 HG3 PRO 25 HG3 PRO 25 -1.614 -12.212 0.063 194 HD2 PRO 25 HD2 PRO 25 0.284 -10.091 -0.867 195 HD3 PRO 25 HD3 PRO 25 -1.473 -10.019 -0.659 196 H ASP 26 H ASP 26 2.081 -9.732 1.358 197 HA ASP 26 HA ASP 26 3.596 -10.508 3.755 198 HB2 ASP 26 HB2 ASP 26 4.476 -9.462 1.067 199 HB3 ASP 26 HB3 ASP 26 5.568 -9.572 2.442 200 H TYR 27 H TYR 27 2.012 -7.896 2.317 201 HA TYR 27 HA TYR 27 1.831 -5.688 2.693 202 HB2 TYR 27 HB2 TYR 27 2.392 -6.826 5.331 203 HB3 TYR 27 HB3 TYR 27 2.816 -5.124 5.195 204 HD1 TYR 27 HD2 TYR 27 0.639 -4.293 3.254 205 HD2 TYR 27 HD1 TYR 27 0.528 -6.695 6.769 206 HE1 TYR 27 HE2 TYR 27 -1.705 -3.664 3.605 207 HE2 TYR 27 HE1 TYR 27 -1.824 -6.069 7.124 208 HH TYR 27 HH TYR 27 -3.324 -4.108 6.475 209 H ILE 28 H ILE 28 4.106 -6.436 1.290 210 HA ILE 28 HA ILE 28 6.084 -4.502 2.290 211 HB ILE 28 HB ILE 28 7.744 -5.690 0.853 212 HG12 ILE 28 HG12 ILE 28 5.607 -7.829 0.741 213 HG13 ILE 28 HG13 ILE 28 6.113 -6.833 -0.617 214 HG21 ILE 28 HG21 ILE 28 6.487 -7.299 3.068 215 HG22 ILE 28 HG22 ILE 28 7.685 -6.019 3.253 216 HG23 ILE 28 HG23 ILE 28 8.118 -7.517 2.431 217 HD11 ILE 28 HD11 ILE 28 8.344 -7.799 -0.500 218 HD12 ILE 28 HD12 ILE 28 7.113 -9.045 -0.700 219 HD13 ILE 28 HD13 ILE 28 7.849 -8.780 0.880 220 H CYS 29 H CYS 29 7.596 -4.057 0.231 221 HA CYS 29 HA CYS 29 5.951 -2.437 -1.533 222 HB2 CYS 29 HB2 CYS 29 7.997 -1.587 -0.380 223 HB3 CYS 29 HB3 CYS 29 8.952 -2.761 -1.257 224 HA PRO 30 HA PRO 30 6.385 -5.483 -4.756 225 HB2 PRO 30 HB2 PRO 30 5.457 -4.072 -6.849 226 HB3 PRO 30 HB3 PRO 30 4.384 -4.597 -5.546 227 HG2 PRO 30 HG2 PRO 30 5.565 -1.907 -6.066 228 HG3 PRO 30 HG3 PRO 30 3.959 -2.325 -5.449 229 HD2 PRO 30 HD2 PRO 30 6.115 -1.510 -3.905 230 HD3 PRO 30 HD3 PRO 30 4.692 -2.384 -3.294 231 H ARG 31 H ARG 31 8.039 -2.566 -4.498 232 HA ARG 31 HA ARG 31 9.722 -3.027 -6.830 233 HB2 ARG 31 HB2 ARG 31 10.128 -0.748 -4.955 234 HB3 ARG 31 HB3 ARG 31 10.335 -0.810 -6.693 235 HG2 ARG 31 HG2 ARG 31 7.806 -1.000 -6.809 236 HG3 ARG 31 HG3 ARG 31 7.808 -0.544 -5.119 237 HD2 ARG 31 HD2 ARG 31 7.472 1.351 -6.688 238 HD3 ARG 31 HD3 ARG 31 8.832 1.538 -5.592 239 HE ARG 31 HE ARG 31 10.201 0.715 -7.582 240 HH11 ARG 31 HH11 ARG 31 7.259 2.593 -7.907 241 HH12 ARG 31 HH12 ARG 31 7.745 3.330 -9.395 242 HH21 ARG 31 HH21 ARG 31 10.845 1.693 -9.541 243 HH22 ARG 31 HH22 ARG 31 9.782 2.818 -10.325 244 H CYS 32 H CYS 32 10.191 -2.300 -3.327 245 HA CYS 32 HA CYS 32 12.869 -3.466 -3.648 246 HB2 CYS 32 HB2 CYS 32 13.642 -2.070 -1.834 247 HB3 CYS 32 HB3 CYS 32 12.843 -1.072 -3.040 248 H GLU 33 H GLU 33 9.896 -4.085 -2.276 249 HA GLU 33 HA GLU 33 9.098 -5.714 -0.904 250 HB2 GLU 33 HB2 GLU 33 11.802 -6.955 -1.433 251 HB3 GLU 33 HB3 GLU 33 10.376 -7.800 -0.848 252 HG2 GLU 33 HG2 GLU 33 9.216 -7.377 -2.910 253 HG3 GLU 33 HG3 GLU 33 10.547 -6.381 -3.493 254 H SER 34 H SER 34 10.250 -3.528 0.422 255 HA SER 34 HA SER 34 11.944 -4.573 2.528 256 HB2 SER 34 HB2 SER 34 12.709 -2.508 1.692 257 HB3 SER 34 HB3 SER 34 11.091 -1.808 1.706 258 HG SER 34 HG SER 34 12.922 -2.146 3.784 259 H GLY 35 H GLY 35 8.947 -2.629 2.433 260 HA2 GLY 35 HA2 GLY 35 7.079 -3.532 3.810 261 HA3 GLY 35 HA3 GLY 35 8.294 -3.772 5.052 262 H PHE 36 H PHE 36 9.636 -1.232 4.296 263 HA PHE 36 HA PHE 36 8.225 0.560 5.981 264 HB2 PHE 36 HB2 PHE 36 10.589 0.855 4.151 265 HB3 PHE 36 HB3 PHE 36 9.876 2.260 4.931 266 HD1 PHE 36 HD1 PHE 36 11.578 -0.955 5.543 267 HD2 PHE 36 HD2 PHE 36 10.218 2.716 7.196 268 HE1 PHE 36 HE1 PHE 36 12.880 -1.400 7.585 269 HE2 PHE 36 HE2 PHE 36 11.517 2.284 9.245 270 HZ PHE 36 HZ PHE 36 12.851 0.222 9.439 271 H ILE 37 H ILE 37 6.127 0.692 5.097 272 HA ILE 37 HA ILE 37 5.925 2.556 2.851 273 HB ILE 37 HB ILE 37 3.989 1.292 1.962 274 HG12 ILE 37 HG12 ILE 37 4.859 -0.731 4.023 275 HG13 ILE 37 HG13 ILE 37 3.280 -0.004 3.834 276 HG21 ILE 37 HG21 ILE 37 5.360 -0.532 0.927 277 HG22 ILE 37 HG22 ILE 37 6.667 -0.071 2.019 278 HG23 ILE 37 HG23 ILE 37 6.062 1.084 0.829 279 HD11 ILE 37 HD11 ILE 37 2.951 -1.219 1.755 280 HD12 ILE 37 HD12 ILE 37 3.294 -2.316 3.092 281 HD13 ILE 37 HD13 ILE 37 4.553 -1.938 1.914 282 H GLU 38 H GLU 38 4.006 3.795 2.826 283 HA GLU 38 HA GLU 38 2.710 3.918 5.461 284 HB2 GLU 38 HB2 GLU 38 3.373 6.094 3.504 285 HB3 GLU 38 HB3 GLU 38 2.340 6.335 4.910 286 HG2 GLU 38 HG2 GLU 38 5.236 5.530 4.891 287 HG3 GLU 38 HG3 GLU 38 4.552 7.057 5.427 288 H GLU 39 H GLU 39 0.650 3.413 5.516 289 HA GLU 39 HA GLU 39 -0.927 3.042 3.154 290 HB2 GLU 39 HB2 GLU 39 -1.012 1.752 5.373 291 HB3 GLU 39 HB3 GLU 39 -1.913 3.112 6.008 292 HG2 GLU 39 HG2 GLU 39 -2.805 1.630 3.563 293 HG3 GLU 39 HG3 GLU 39 -3.204 1.075 5.186 294 H LEU 40 H LEU 40 -1.549 4.793 2.049 295 HA LEU 40 HA LEU 40 -1.599 7.376 3.242 296 HB2 LEU 40 HB2 LEU 40 -2.419 6.468 0.498 297 HB3 LEU 40 HB3 LEU 40 -2.246 8.142 0.985 298 HG LEU 40 HG LEU 40 -0.027 6.098 0.870 299 HD11 LEU 40 HD11 LEU 40 0.818 7.454 -0.967 300 HD12 LEU 40 HD12 LEU 40 -0.620 8.470 -0.876 301 HD13 LEU 40 HD13 LEU 40 -0.765 6.771 -1.329 302 HD21 LEU 40 HD21 LEU 40 1.449 8.012 1.319 303 HD22 LEU 40 HD22 LEU 40 0.356 7.687 2.662 304 HD23 LEU 40 HD23 LEU 40 0.032 9.030 1.565 Start of MODEL 12 1 H1 GLY -1 H1 GLY -1 -26.246 -7.430 -1.667 2 H2 GLY -1 H2 GLY -1 -27.259 -8.536 -0.893 3 H3 GLY -1 H3 GLY -1 -27.536 -8.126 -2.509 4 HA2 GLY -1 HA3 GLY -1 -26.516 -10.291 -2.382 5 HA3 GLY -1 HA2 GLY -1 -25.439 -9.133 -3.149 6 H SER 0 H SER 0 -23.960 -10.983 -2.446 7 HA SER 0 HA SER 0 -22.681 -10.156 0.045 8 HB2 SER 0 HB2 SER 0 -24.130 -12.062 0.661 9 HB3 SER 0 HB3 SER 0 -23.362 -13.043 -0.584 10 HG SER 0 HG SER 0 -21.908 -11.825 1.525 11 H MET 1 H MET 1 -20.508 -10.146 -0.107 12 HA MET 1 HA MET 1 -18.438 -10.178 -1.038 13 HB2 MET 1 HB2 MET 1 -19.391 -12.889 -1.980 14 HB3 MET 1 HB3 MET 1 -17.722 -12.345 -2.037 15 HG2 MET 1 HG2 MET 1 -17.688 -12.150 0.388 16 HG3 MET 1 HG3 MET 1 -19.374 -12.658 0.459 17 HE1 MET 1 HE1 MET 1 -17.494 -15.742 1.949 18 HE2 MET 1 HE2 MET 1 -18.765 -14.546 2.202 19 HE3 MET 1 HE3 MET 1 -17.076 -14.041 2.157 20 H ALA 2 H ALA 2 -20.167 -8.684 -2.483 21 HA ALA 2 HA ALA 2 -19.834 -9.490 -5.286 22 HB1 ALA 2 HB1 ALA 2 -21.762 -7.509 -4.080 23 HB2 ALA 2 HB2 ALA 2 -22.146 -9.156 -4.584 24 HB3 ALA 2 HB3 ALA 2 -21.668 -7.955 -5.785 25 H GLU 3 H GLU 3 -18.894 -7.196 -2.917 26 HA GLU 3 HA GLU 3 -17.177 -5.932 -4.857 27 HB2 GLU 3 HB2 GLU 3 -19.331 -4.602 -4.810 28 HB3 GLU 3 HB3 GLU 3 -18.954 -4.201 -3.141 29 HG2 GLU 3 HG2 GLU 3 -18.281 -2.388 -4.534 30 HG3 GLU 3 HG3 GLU 3 -16.832 -3.183 -3.915 31 H ALA 4 H ALA 4 -18.322 -5.279 -1.561 32 HA ALA 4 HA ALA 4 -17.287 -5.104 0.434 33 HB1 ALA 4 HB1 ALA 4 -15.423 -6.564 0.941 34 HB2 ALA 4 HB2 ALA 4 -15.158 -6.860 -0.778 35 HB3 ALA 4 HB3 ALA 4 -16.635 -7.429 -0.003 36 H SER 5 H SER 5 -14.249 -5.366 -1.336 37 HA SER 5 HA SER 5 -12.412 -4.037 -1.370 38 HB2 SER 5 HB2 SER 5 -13.913 -2.846 -2.963 39 HB3 SER 5 HB3 SER 5 -14.461 -1.822 -1.638 40 HG SER 5 HG SER 5 -12.704 -0.994 -3.023 41 HA PRO 6 HA PRO 6 -12.818 -2.424 2.953 42 HB2 PRO 6 HB2 PRO 6 -12.469 -4.620 4.442 43 HB3 PRO 6 HB3 PRO 6 -14.023 -4.261 3.684 44 HG2 PRO 6 HG2 PRO 6 -12.062 -6.348 3.015 45 HG3 PRO 6 HG3 PRO 6 -13.780 -6.251 2.600 46 HD2 PRO 6 HD2 PRO 6 -11.462 -5.509 0.994 47 HD3 PRO 6 HD3 PRO 6 -13.166 -5.627 0.505 48 H HIS 7 H HIS 7 -10.342 -3.241 1.098 49 HA HIS 7 HA HIS 7 -8.401 -3.265 3.318 50 HB2 HIS 7 HB2 HIS 7 -6.924 -4.677 2.087 51 HB3 HIS 7 HB3 HIS 7 -8.504 -5.425 2.021 52 HD1 HIS 7 HD1 HIS 7 -5.993 -3.632 -0.123 53 HD2 HIS 7 HD2 HIS 7 -9.576 -5.707 -0.535 54 HE1 HIS 7 HE1 HIS 7 -6.251 -4.059 -2.586 55 HE2 HIS 7 HE2 HIS 7 -8.502 -5.157 -2.826 56 HA PRO 8 HA PRO 8 -6.667 0.363 1.471 57 HB2 PRO 8 HB2 PRO 8 -4.150 0.215 2.482 58 HB3 PRO 8 HB3 PRO 8 -5.543 0.729 3.433 59 HG2 PRO 8 HG2 PRO 8 -4.110 -1.871 3.406 60 HG3 PRO 8 HG3 PRO 8 -4.888 -1.028 4.753 61 HD2 PRO 8 HD2 PRO 8 -5.961 -3.159 3.390 62 HD3 PRO 8 HD3 PRO 8 -6.899 -1.985 4.324 63 H GLY 9 H GLY 9 -4.885 1.044 0.009 64 HA2 GLY 9 HA2 GLY 9 -3.563 -1.144 -1.397 65 HA3 GLY 9 HA3 GLY 9 -4.732 -0.209 -2.315 66 H ARG 10 H ARG 10 -4.305 2.317 -1.571 67 HA ARG 10 HA ARG 10 -1.863 2.976 -2.863 68 HB2 ARG 10 HB2 ARG 10 -2.459 5.336 -2.193 69 HB3 ARG 10 HB3 ARG 10 -3.663 4.498 -3.161 70 HG2 ARG 10 HG2 ARG 10 -5.139 4.308 -1.410 71 HG3 ARG 10 HG3 ARG 10 -3.877 4.459 -0.188 72 HD2 ARG 10 HD2 ARG 10 -4.503 6.585 0.001 73 HD3 ARG 10 HD3 ARG 10 -3.743 6.837 -1.567 74 HE ARG 10 HE ARG 10 -6.052 6.270 -2.477 75 HH11 ARG 10 HH11 ARG 10 -5.538 7.759 0.657 76 HH12 ARG 10 HH12 ARG 10 -7.028 8.660 0.605 77 HH21 ARG 10 HH21 ARG 10 -8.017 7.449 -2.532 78 HH22 ARG 10 HH22 ARG 10 -8.428 8.486 -1.205 79 H TYR 11 H TYR 11 0.007 2.572 -1.913 80 HA TYR 11 HA TYR 11 0.392 3.554 0.837 81 HB2 TYR 11 HB2 TYR 11 1.386 1.074 -0.500 82 HB3 TYR 11 HB3 TYR 11 2.386 1.844 0.722 83 HD1 TYR 11 HD1 TYR 11 -1.106 0.611 0.217 84 HD2 TYR 11 HD2 TYR 11 2.101 1.295 2.924 85 HE1 TYR 11 HE1 TYR 11 -2.368 -0.518 2.001 86 HE2 TYR 11 HE2 TYR 11 0.862 0.173 4.705 87 HH TYR 11 HH TYR 11 -1.429 -0.397 5.289 88 H PHE 12 H PHE 12 2.645 4.165 1.305 89 HA PHE 12 HA PHE 12 4.091 5.080 -1.081 90 HB2 PHE 12 HB2 PHE 12 2.755 6.871 0.207 91 HB3 PHE 12 HB3 PHE 12 3.990 6.698 1.451 92 HD1 PHE 12 HD1 PHE 12 3.300 7.693 -1.990 93 HD2 PHE 12 HD2 PHE 12 6.189 7.572 1.129 94 HE1 PHE 12 HE1 PHE 12 4.726 9.255 -3.255 95 HE2 PHE 12 HE2 PHE 12 7.632 9.131 -0.133 96 HZ PHE 12 HZ PHE 12 6.892 9.975 -2.326 97 H CYS 13 H CYS 13 5.946 4.025 -1.119 98 HA CYS 13 HA CYS 13 7.013 2.778 1.233 99 HB2 CYS 13 HB2 CYS 13 7.236 1.582 -0.823 100 HB3 CYS 13 HB3 CYS 13 7.988 2.957 -1.612 101 H HIS 14 H HIS 14 8.622 3.424 2.510 102 HA HIS 14 HA HIS 14 9.530 6.146 2.269 103 HB2 HIS 14 HB2 HIS 14 9.637 4.026 4.340 104 HB3 HIS 14 HB3 HIS 14 10.906 5.247 4.388 105 HD1 HIS 14 HD1 HIS 14 10.169 6.595 6.370 106 HD2 HIS 14 HD2 HIS 14 7.114 6.003 3.612 107 HE1 HIS 14 HE1 HIS 14 8.269 8.056 7.137 108 HE2 HIS 14 HE2 HIS 14 6.482 7.786 5.378 109 H CYS 15 H CYS 15 10.737 3.076 1.366 110 HA CYS 15 HA CYS 15 13.505 3.940 1.324 111 HB2 CYS 15 HB2 CYS 15 12.850 1.583 1.846 112 HB3 CYS 15 HB3 CYS 15 12.294 1.413 0.188 113 HG CYS 15 HG CYS 15 14.716 0.112 0.295 114 H CYS 16 H CYS 16 10.915 3.237 -0.967 115 HA CYS 16 HA CYS 16 12.578 3.976 -3.231 116 HB2 CYS 16 HB2 CYS 16 9.662 3.188 -3.101 117 HB3 CYS 16 HB3 CYS 16 10.554 3.494 -4.579 118 H SER 17 H SER 17 10.528 5.467 -1.039 119 HA SER 17 HA SER 17 9.308 7.349 -0.885 120 HB2 SER 17 HB2 SER 17 10.364 9.409 -1.804 121 HB3 SER 17 HB3 SER 17 11.458 8.410 -0.854 122 HG SER 17 HG SER 17 11.626 7.617 -3.386 123 H VAL 18 H VAL 18 8.197 5.646 -2.661 124 HA VAL 18 HA VAL 18 6.897 7.498 -4.517 125 HB VAL 18 HB VAL 18 6.805 5.827 -6.292 126 HG11 VAL 18 HG11 VAL 18 8.652 7.427 -6.322 127 HG12 VAL 18 HG12 VAL 18 9.125 5.878 -7.023 128 HG13 VAL 18 HG13 VAL 18 9.641 6.299 -5.389 129 HG21 VAL 18 HG21 VAL 18 6.891 3.815 -4.955 130 HG22 VAL 18 HG22 VAL 18 8.555 4.166 -4.494 131 HG23 VAL 18 HG23 VAL 18 8.167 3.787 -6.172 132 H GLU 19 H GLU 19 4.852 6.597 -5.343 133 HA GLU 19 HA GLU 19 3.371 5.416 -3.151 134 HB2 GLU 19 HB2 GLU 19 2.713 7.365 -4.855 135 HB3 GLU 19 HB3 GLU 19 2.096 6.008 -5.780 136 HG2 GLU 19 HG2 GLU 19 0.840 5.352 -3.710 137 HG3 GLU 19 HG3 GLU 19 1.307 6.899 -3.033 138 H ILE 20 H ILE 20 2.662 3.353 -3.090 139 HA ILE 20 HA ILE 20 3.103 1.648 -5.453 140 HB ILE 20 HB ILE 20 4.031 -0.116 -3.966 141 HG12 ILE 20 HG12 ILE 20 4.855 1.723 -1.871 142 HG13 ILE 20 HG13 ILE 20 3.110 1.518 -1.932 143 HG21 ILE 20 HG21 ILE 20 6.274 0.862 -3.725 144 HG22 ILE 20 HG22 ILE 20 5.594 2.456 -4.052 145 HG23 ILE 20 HG23 ILE 20 5.550 1.206 -5.296 146 HD11 ILE 20 HD11 ILE 20 3.463 -0.932 -1.818 147 HD12 ILE 20 HD12 ILE 20 4.022 -0.054 -0.395 148 HD13 ILE 20 HD13 ILE 20 5.186 -0.626 -1.593 149 H VAL 21 H VAL 21 2.138 -0.462 -5.248 150 HA VAL 21 HA VAL 21 -0.084 -0.621 -3.323 151 HB VAL 21 HB VAL 21 -1.035 -0.550 -5.517 152 HG11 VAL 21 HG11 VAL 21 0.991 -1.036 -6.790 153 HG12 VAL 21 HG12 VAL 21 -0.371 -2.015 -7.341 154 HG13 VAL 21 HG13 VAL 21 0.878 -2.734 -6.323 155 HG21 VAL 21 HG21 VAL 21 -0.906 -3.416 -4.590 156 HG22 VAL 21 HG22 VAL 21 -2.094 -2.759 -5.715 157 HG23 VAL 21 HG23 VAL 21 -2.048 -2.187 -4.047 158 HA PRO 22 HA PRO 22 2.937 -3.482 -1.709 159 HB2 PRO 22 HB2 PRO 22 0.846 -4.048 0.292 160 HB3 PRO 22 HB3 PRO 22 2.482 -3.441 0.518 161 HG2 PRO 22 HG2 PRO 22 0.366 -1.855 0.834 162 HG3 PRO 22 HG3 PRO 22 1.870 -1.253 0.113 163 HD2 PRO 22 HD2 PRO 22 -0.679 -2.070 -1.225 164 HD3 PRO 22 HD3 PRO 22 0.374 -0.679 -1.557 165 H ARG 23 H ARG 23 3.306 -5.649 -1.608 166 HA ARG 23 HA ARG 23 1.391 -7.462 -2.743 167 HB2 ARG 23 HB2 ARG 23 4.054 -7.930 -1.373 168 HB3 ARG 23 HB3 ARG 23 3.111 -9.188 -2.159 169 HG2 ARG 23 HG2 ARG 23 3.328 -8.058 -4.290 170 HG3 ARG 23 HG3 ARG 23 4.199 -6.734 -3.521 171 HD2 ARG 23 HD2 ARG 23 5.962 -8.335 -2.867 172 HD3 ARG 23 HD3 ARG 23 5.102 -9.600 -3.743 173 HE ARG 23 HE ARG 23 5.437 -7.584 -5.568 174 HH11 ARG 23 HH11 ARG 23 7.555 -9.566 -3.608 175 HH12 ARG 23 HH12 ARG 23 8.894 -9.439 -4.702 176 HH21 ARG 23 HH21 ARG 23 7.205 -7.416 -7.010 177 HH22 ARG 23 HH22 ARG 23 8.703 -8.202 -6.626 178 H LEU 24 H LEU 24 -0.366 -7.892 -1.563 179 HA LEU 24 HA LEU 24 -0.668 -6.968 0.998 180 HB2 LEU 24 HB2 LEU 24 -2.260 -8.220 -0.988 181 HB3 LEU 24 HB3 LEU 24 -2.658 -8.881 0.578 182 HG LEU 24 HG LEU 24 -4.031 -6.907 -0.112 183 HD11 LEU 24 HD11 LEU 24 -3.875 -7.564 2.214 184 HD12 LEU 24 HD12 LEU 24 -3.919 -5.806 2.072 185 HD13 LEU 24 HD13 LEU 24 -2.392 -6.628 2.395 186 HD21 LEU 24 HD21 LEU 24 -1.501 -5.359 0.428 187 HD22 LEU 24 HD22 LEU 24 -3.078 -4.706 -0.021 188 HD23 LEU 24 HD23 LEU 24 -2.164 -5.671 -1.178 189 HA PRO 25 HA PRO 25 -0.624 -11.614 2.664 190 HB2 PRO 25 HB2 PRO 25 1.569 -12.526 0.860 191 HB3 PRO 25 HB3 PRO 25 0.239 -13.454 1.561 192 HG2 PRO 25 HG2 PRO 25 0.140 -12.755 -0.977 193 HG3 PRO 25 HG3 PRO 25 -1.310 -12.589 0.035 194 HD2 PRO 25 HD2 PRO 25 0.615 -10.482 -0.872 195 HD3 PRO 25 HD3 PRO 25 -1.151 -10.426 -0.770 196 H ASP 26 H ASP 26 2.142 -9.819 1.453 197 HA ASP 26 HA ASP 26 3.621 -10.449 3.923 198 HB2 ASP 26 HB2 ASP 26 4.603 -9.535 1.218 199 HB3 ASP 26 HB3 ASP 26 5.636 -9.645 2.637 200 H TYR 27 H TYR 27 1.957 -8.046 2.276 201 HA TYR 27 HA TYR 27 1.737 -5.808 2.379 202 HB2 TYR 27 HB2 TYR 27 2.045 -6.726 5.121 203 HB3 TYR 27 HB3 TYR 27 2.531 -5.046 4.919 204 HD1 TYR 27 HD2 TYR 27 0.610 -4.211 2.780 205 HD2 TYR 27 HD1 TYR 27 0.029 -6.546 6.291 206 HE1 TYR 27 HE2 TYR 27 -1.738 -3.501 2.856 207 HE2 TYR 27 HE1 TYR 27 -2.326 -5.842 6.371 208 HH TYR 27 HH TYR 27 -3.679 -3.849 5.529 209 H ILE 28 H ILE 28 4.193 -6.651 1.298 210 HA ILE 28 HA ILE 28 6.041 -4.612 2.321 211 HB ILE 28 HB ILE 28 7.780 -5.788 0.950 212 HG12 ILE 28 HG12 ILE 28 5.694 -7.974 0.810 213 HG13 ILE 28 HG13 ILE 28 6.196 -6.983 -0.549 214 HG21 ILE 28 HG21 ILE 28 8.096 -7.607 2.569 215 HG22 ILE 28 HG22 ILE 28 6.453 -7.348 3.159 216 HG23 ILE 28 HG23 ILE 28 7.667 -6.081 3.341 217 HD11 ILE 28 HD11 ILE 28 8.470 -7.877 -0.339 218 HD12 ILE 28 HD12 ILE 28 7.273 -9.140 -0.624 219 HD13 ILE 28 HD13 ILE 28 7.926 -8.896 0.995 220 H CYS 29 H CYS 29 7.640 -4.150 0.324 221 HA CYS 29 HA CYS 29 6.036 -2.543 -1.481 222 HB2 CYS 29 HB2 CYS 29 8.019 -1.646 -0.274 223 HB3 CYS 29 HB3 CYS 29 9.030 -2.800 -1.113 224 HA PRO 30 HA PRO 30 6.658 -5.531 -4.732 225 HB2 PRO 30 HB2 PRO 30 5.665 -4.141 -6.798 226 HB3 PRO 30 HB3 PRO 30 4.613 -4.714 -5.498 227 HG2 PRO 30 HG2 PRO 30 5.718 -1.984 -5.978 228 HG3 PRO 30 HG3 PRO 30 4.108 -2.452 -5.409 229 HD2 PRO 30 HD2 PRO 30 6.190 -1.594 -3.795 230 HD3 PRO 30 HD3 PRO 30 4.794 -2.546 -3.233 231 H ARG 31 H ARG 31 8.215 -2.603 -4.340 232 HA ARG 31 HA ARG 31 9.833 -2.869 -6.748 233 HB2 ARG 31 HB2 ARG 31 9.913 -0.542 -4.866 234 HB3 ARG 31 HB3 ARG 31 10.281 -0.586 -6.579 235 HG2 ARG 31 HG2 ARG 31 7.753 -1.212 -6.783 236 HG3 ARG 31 HG3 ARG 31 7.653 -0.465 -5.204 237 HD2 ARG 31 HD2 ARG 31 8.478 1.582 -6.026 238 HD3 ARG 31 HD3 ARG 31 8.898 0.880 -7.582 239 HE ARG 31 HE ARG 31 6.115 0.624 -7.038 240 HH11 ARG 31 HH11 ARG 31 8.545 2.913 -8.076 241 HH12 ARG 31 HH12 ARG 31 7.434 3.866 -9.006 242 HH21 ARG 31 HH21 ARG 31 4.642 1.893 -8.243 243 HH22 ARG 31 HH22 ARG 31 5.211 3.299 -9.086 244 H CYS 32 H CYS 32 10.153 -2.605 -3.188 245 HA CYS 32 HA CYS 32 12.924 -3.513 -3.576 246 HB2 CYS 32 HB2 CYS 32 13.724 -2.112 -1.781 247 HB3 CYS 32 HB3 CYS 32 12.906 -1.121 -2.983 248 H GLU 33 H GLU 33 9.985 -4.159 -2.126 249 HA GLU 33 HA GLU 33 9.240 -5.749 -0.685 250 HB2 GLU 33 HB2 GLU 33 11.926 -6.970 -1.315 251 HB3 GLU 33 HB3 GLU 33 10.604 -7.806 -0.520 252 HG2 GLU 33 HG2 GLU 33 9.220 -7.542 -2.496 253 HG3 GLU 33 HG3 GLU 33 10.515 -6.652 -3.294 254 H SER 34 H SER 34 10.222 -3.557 0.589 255 HA SER 34 HA SER 34 12.045 -4.453 2.673 256 HB2 SER 34 HB2 SER 34 12.652 -2.363 1.685 257 HB3 SER 34 HB3 SER 34 11.017 -1.732 1.862 258 HG SER 34 HG SER 34 12.862 -2.333 3.945 259 H GLY 35 H GLY 35 8.958 -2.673 2.509 260 HA2 GLY 35 HA2 GLY 35 7.110 -3.579 3.880 261 HA3 GLY 35 HA3 GLY 35 8.311 -3.788 5.143 262 H PHE 36 H PHE 36 9.622 -1.255 4.424 263 HA PHE 36 HA PHE 36 8.193 0.528 6.087 264 HB2 PHE 36 HB2 PHE 36 10.594 0.778 4.308 265 HB3 PHE 36 HB3 PHE 36 9.890 2.209 5.051 266 HD1 PHE 36 HD2 PHE 36 11.472 -1.051 5.762 267 HD2 PHE 36 HD1 PHE 36 10.218 2.706 7.297 268 HE1 PHE 36 HE2 PHE 36 12.707 -1.501 7.843 269 HE2 PHE 36 HE1 PHE 36 11.446 2.269 9.388 270 HZ PHE 36 HZ PHE 36 12.692 0.162 9.663 271 H ILE 37 H ILE 37 6.115 0.668 5.162 272 HA ILE 37 HA ILE 37 5.957 2.563 2.936 273 HB ILE 37 HB ILE 37 3.993 1.353 2.037 274 HG12 ILE 37 HG12 ILE 37 4.780 -0.695 4.109 275 HG13 ILE 37 HG13 ILE 37 3.226 0.078 3.898 276 HG21 ILE 37 HG21 ILE 37 6.069 1.082 0.918 277 HG22 ILE 37 HG22 ILE 37 5.309 -0.510 1.007 278 HG23 ILE 37 HG23 ILE 37 6.625 -0.098 2.106 279 HD11 ILE 37 HD11 ILE 37 2.870 -1.132 1.832 280 HD12 ILE 37 HD12 ILE 37 3.202 -2.246 3.158 281 HD13 ILE 37 HD13 ILE 37 4.460 -1.879 1.976 282 H GLU 38 H GLU 38 4.068 3.844 2.917 283 HA GLU 38 HA GLU 38 2.716 3.947 5.524 284 HB2 GLU 38 HB2 GLU 38 3.505 6.118 3.614 285 HB3 GLU 38 HB3 GLU 38 2.262 6.377 4.830 286 HG2 GLU 38 HG2 GLU 38 4.017 5.574 6.509 287 HG3 GLU 38 HG3 GLU 38 5.178 5.838 5.208 288 H GLU 39 H GLU 39 0.624 3.626 5.586 289 HA GLU 39 HA GLU 39 -0.892 3.247 3.173 290 HB2 GLU 39 HB2 GLU 39 -1.098 1.925 5.354 291 HB3 GLU 39 HB3 GLU 39 -1.938 3.317 6.005 292 HG2 GLU 39 HG2 GLU 39 -2.867 1.996 3.488 293 HG3 GLU 39 HG3 GLU 39 -3.297 1.346 5.068 294 H LEU 40 H LEU 40 -1.713 4.881 2.092 295 HA LEU 40 HA LEU 40 -1.655 7.521 3.253 296 HB2 LEU 40 HB2 LEU 40 -2.374 6.603 0.479 297 HB3 LEU 40 HB3 LEU 40 -2.183 8.273 0.967 298 HG LEU 40 HG LEU 40 0.018 6.203 1.004 299 HD11 LEU 40 HD11 LEU 40 -0.479 8.466 -0.910 300 HD12 LEU 40 HD12 LEU 40 -0.673 6.748 -1.262 301 HD13 LEU 40 HD13 LEU 40 0.924 7.399 -0.898 302 HD21 LEU 40 HD21 LEU 40 0.350 7.904 2.687 303 HD22 LEU 40 HD22 LEU 40 0.046 9.173 1.501 304 HD23 LEU 40 HD23 LEU 40 1.476 8.152 1.354 Start of MODEL 13 1 H1 GLY -1 H1 GLY -1 -9.718 -6.842 -11.947 2 H2 GLY -1 H2 GLY -1 -9.129 -7.132 -10.392 3 H3 GLY -1 H3 GLY -1 -8.596 -5.784 -11.255 4 HA2 GLY -1 HA3 GLY -1 -10.810 -4.830 -11.201 5 HA3 GLY -1 HA2 GLY -1 -11.366 -6.237 -10.305 6 H SER 0 H SER 0 -12.021 -4.846 -8.585 7 HA SER 0 HA SER 0 -9.864 -3.519 -7.127 8 HB2 SER 0 HB2 SER 0 -11.840 -2.682 -5.717 9 HB3 SER 0 HB3 SER 0 -11.733 -2.091 -7.376 10 HG SER 0 HG SER 0 -13.623 -2.930 -7.689 11 H MET 1 H MET 1 -11.880 -6.293 -7.058 12 HA MET 1 HA MET 1 -11.873 -8.172 -5.795 13 HB2 MET 1 HB2 MET 1 -9.421 -7.945 -5.730 14 HB3 MET 1 HB3 MET 1 -9.557 -6.907 -4.319 15 HG2 MET 1 HG2 MET 1 -10.547 -8.766 -3.063 16 HG3 MET 1 HG3 MET 1 -10.361 -9.803 -4.477 17 HE1 MET 1 HE1 MET 1 -7.618 -11.228 -2.101 18 HE2 MET 1 HE2 MET 1 -9.037 -11.589 -3.082 19 HE3 MET 1 HE3 MET 1 -9.199 -10.610 -1.625 20 H ALA 2 H ALA 2 -11.009 -5.607 -3.487 21 HA ALA 2 HA ALA 2 -13.203 -6.504 -1.760 22 HB1 ALA 2 HB1 ALA 2 -10.983 -6.421 -0.731 23 HB2 ALA 2 HB2 ALA 2 -12.076 -5.257 0.018 24 HB3 ALA 2 HB3 ALA 2 -10.858 -4.708 -1.133 25 H GLU 3 H GLU 3 -13.978 -5.235 -3.972 26 HA GLU 3 HA GLU 3 -14.189 -2.531 -4.177 27 HB2 GLU 3 HB2 GLU 3 -15.092 -4.177 -5.776 28 HB3 GLU 3 HB3 GLU 3 -16.390 -4.543 -4.652 29 HG2 GLU 3 HG2 GLU 3 -17.225 -2.275 -4.859 30 HG3 GLU 3 HG3 GLU 3 -15.920 -1.891 -5.984 31 H ALA 4 H ALA 4 -16.453 -4.599 -2.357 32 HA ALA 4 HA ALA 4 -17.726 -2.215 -1.256 33 HB1 ALA 4 HB1 ALA 4 -19.125 -3.994 -2.202 34 HB2 ALA 4 HB2 ALA 4 -19.467 -3.721 -0.494 35 HB3 ALA 4 HB3 ALA 4 -18.507 -5.114 -0.990 36 H SER 5 H SER 5 -15.048 -2.937 -0.344 37 HA SER 5 HA SER 5 -15.618 -2.879 2.499 38 HB2 SER 5 HB2 SER 5 -13.807 -5.000 1.314 39 HB3 SER 5 HB3 SER 5 -14.038 -4.694 3.035 40 HG SER 5 HG SER 5 -16.436 -4.996 1.932 41 HA PRO 6 HA PRO 6 -12.358 0.209 2.143 42 HB2 PRO 6 HB2 PRO 6 -12.262 -0.352 5.072 43 HB3 PRO 6 HB3 PRO 6 -12.353 1.199 4.228 44 HG2 PRO 6 HG2 PRO 6 -14.498 0.185 5.433 45 HG3 PRO 6 HG3 PRO 6 -14.638 1.027 3.878 46 HD2 PRO 6 HD2 PRO 6 -14.741 -1.895 4.469 47 HD3 PRO 6 HD3 PRO 6 -15.630 -0.954 3.254 48 H HIS 7 H HIS 7 -10.303 -0.240 1.602 49 HA HIS 7 HA HIS 7 -8.868 -2.348 3.009 50 HB2 HIS 7 HB2 HIS 7 -8.273 -3.479 0.886 51 HB3 HIS 7 HB3 HIS 7 -9.987 -3.563 1.235 52 HD1 HIS 7 HD1 HIS 7 -11.591 -2.435 -0.399 53 HD2 HIS 7 HD2 HIS 7 -7.582 -1.827 -1.325 54 HE1 HIS 7 HE1 HIS 7 -11.567 -1.457 -2.713 55 HE2 HIS 7 HE2 HIS 7 -9.158 -0.878 -3.138 56 HA PRO 8 HA PRO 8 -5.463 0.405 2.140 57 HB2 PRO 8 HB2 PRO 8 -3.640 -1.770 2.742 58 HB3 PRO 8 HB3 PRO 8 -3.974 -0.319 3.687 59 HG2 PRO 8 HG2 PRO 8 -4.696 -2.824 4.470 60 HG3 PRO 8 HG3 PRO 8 -5.572 -1.360 4.951 61 HD2 PRO 8 HD2 PRO 8 -6.242 -3.366 2.835 62 HD3 PRO 8 HD3 PRO 8 -7.311 -2.518 3.972 63 H GLY 9 H GLY 9 -4.483 0.869 0.260 64 HA2 GLY 9 HA2 GLY 9 -3.389 -1.280 -1.371 65 HA3 GLY 9 HA3 GLY 9 -4.685 -0.341 -2.096 66 H ARG 10 H ARG 10 -4.196 2.159 -1.335 67 HA ARG 10 HA ARG 10 -1.848 2.867 -2.823 68 HB2 ARG 10 HB2 ARG 10 -2.548 5.214 -2.216 69 HB3 ARG 10 HB3 ARG 10 -3.743 4.278 -3.104 70 HG2 ARG 10 HG2 ARG 10 -5.115 4.032 -1.263 71 HG3 ARG 10 HG3 ARG 10 -3.816 4.367 -0.120 72 HD2 ARG 10 HD2 ARG 10 -4.635 6.434 -0.022 73 HD3 ARG 10 HD3 ARG 10 -3.956 6.661 -1.630 74 HE ARG 10 HE ARG 10 -6.198 5.883 -2.463 75 HH11 ARG 10 HH11 ARG 10 -5.833 7.410 0.670 76 HH12 ARG 10 HH12 ARG 10 -7.439 8.079 0.665 77 HH21 ARG 10 HH21 ARG 10 -8.309 6.739 -2.459 78 HH22 ARG 10 HH22 ARG 10 -8.849 7.693 -1.113 79 H TYR 11 H TYR 11 0.056 2.546 -1.877 80 HA TYR 11 HA TYR 11 0.424 3.616 0.843 81 HB2 TYR 11 HB2 TYR 11 1.465 1.116 -0.419 82 HB3 TYR 11 HB3 TYR 11 2.449 1.940 0.782 83 HD1 TYR 11 HD1 TYR 11 -1.035 0.658 0.320 84 HD2 TYR 11 HD2 TYR 11 2.186 1.408 2.993 85 HE1 TYR 11 HE1 TYR 11 -2.274 -0.457 2.128 86 HE2 TYR 11 HE2 TYR 11 0.971 0.294 4.799 87 HH TYR 11 HH TYR 11 -1.400 -0.241 5.383 88 H PHE 12 H PHE 12 2.648 4.290 1.298 89 HA PHE 12 HA PHE 12 4.093 5.161 -1.107 90 HB2 PHE 12 HB2 PHE 12 2.783 6.971 0.145 91 HB3 PHE 12 HB3 PHE 12 3.974 6.783 1.428 92 HD1 PHE 12 HD1 PHE 12 3.409 7.790 -2.027 93 HD2 PHE 12 HD2 PHE 12 6.195 7.626 1.177 94 HE1 PHE 12 HE1 PHE 12 4.897 9.323 -3.254 95 HE2 PHE 12 HE2 PHE 12 7.702 9.159 -0.044 96 HZ PHE 12 HZ PHE 12 7.044 10.013 -2.260 97 H CYS 13 H CYS 13 5.954 4.116 -1.148 98 HA CYS 13 HA CYS 13 7.041 2.898 1.217 99 HB2 CYS 13 HB2 CYS 13 7.209 1.685 -0.854 100 HB3 CYS 13 HB3 CYS 13 8.017 3.036 -1.636 101 H HIS 14 H HIS 14 8.694 3.556 2.446 102 HA HIS 14 HA HIS 14 9.736 6.230 2.060 103 HB2 HIS 14 HB2 HIS 14 9.802 4.199 4.241 104 HB3 HIS 14 HB3 HIS 14 11.099 5.392 4.199 105 HD1 HIS 14 HD1 HIS 14 10.550 7.127 5.874 106 HD2 HIS 14 HD2 HIS 14 7.197 5.917 3.730 107 HE1 HIS 14 HE1 HIS 14 8.673 8.609 6.653 108 HE2 HIS 14 HE2 HIS 14 6.657 7.889 5.320 109 H CYS 15 H CYS 15 10.721 2.985 1.526 110 HA CYS 15 HA CYS 15 13.531 3.470 1.348 111 HB2 CYS 15 HB2 CYS 15 11.932 1.188 0.170 112 HB3 CYS 15 HB3 CYS 15 13.642 1.175 0.574 113 HG CYS 15 HG CYS 15 13.074 -0.109 2.734 114 H CYS 16 H CYS 16 10.848 3.292 -0.935 115 HA CYS 16 HA CYS 16 12.642 3.896 -3.171 116 HB2 CYS 16 HB2 CYS 16 9.699 3.202 -3.152 117 HB3 CYS 16 HB3 CYS 16 10.664 3.475 -4.590 118 H SER 17 H SER 17 10.564 5.392 -1.008 119 HA SER 17 HA SER 17 9.346 7.275 -0.860 120 HB2 SER 17 HB2 SER 17 10.463 9.350 -1.711 121 HB3 SER 17 HB3 SER 17 11.471 8.336 -0.685 122 HG SER 17 HG SER 17 11.688 7.721 -3.349 123 H VAL 18 H VAL 18 8.227 5.660 -2.643 124 HA VAL 18 HA VAL 18 7.004 7.536 -4.524 125 HB VAL 18 HB VAL 18 6.910 5.865 -6.304 126 HG11 VAL 18 HG11 VAL 18 9.257 5.882 -6.990 127 HG12 VAL 18 HG12 VAL 18 9.727 6.360 -5.359 128 HG13 VAL 18 HG13 VAL 18 8.752 7.447 -6.351 129 HG21 VAL 18 HG21 VAL 18 8.246 3.816 -6.175 130 HG22 VAL 18 HG22 VAL 18 6.979 3.858 -4.950 131 HG23 VAL 18 HG23 VAL 18 8.649 4.197 -4.503 132 H GLU 19 H GLU 19 4.955 6.658 -5.390 133 HA GLU 19 HA GLU 19 3.414 5.510 -3.223 134 HB2 GLU 19 HB2 GLU 19 2.838 7.410 -5.043 135 HB3 GLU 19 HB3 GLU 19 2.179 6.014 -5.878 136 HG2 GLU 19 HG2 GLU 19 0.938 5.535 -3.724 137 HG3 GLU 19 HG3 GLU 19 1.396 7.157 -3.229 138 H ILE 20 H ILE 20 2.758 3.442 -3.106 139 HA ILE 20 HA ILE 20 3.150 1.689 -5.446 140 HB ILE 20 HB ILE 20 4.073 -0.058 -3.944 141 HG12 ILE 20 HG12 ILE 20 4.906 1.802 -1.865 142 HG13 ILE 20 HG13 ILE 20 3.164 1.592 -1.924 143 HG21 ILE 20 HG21 ILE 20 6.324 0.909 -3.704 144 HG22 ILE 20 HG22 ILE 20 5.654 2.498 -4.072 145 HG23 ILE 20 HG23 ILE 20 5.606 1.217 -5.284 146 HD11 ILE 20 HD11 ILE 20 3.503 -0.847 -1.776 147 HD12 ILE 20 HD12 ILE 20 4.103 0.037 -0.374 148 HD13 ILE 20 HD13 ILE 20 5.234 -0.560 -1.590 149 H VAL 21 H VAL 21 2.142 -0.395 -5.200 150 HA VAL 21 HA VAL 21 -0.006 -0.509 -3.196 151 HB VAL 21 HB VAL 21 -1.060 -0.487 -5.332 152 HG11 VAL 21 HG11 VAL 21 -0.441 -1.946 -7.179 153 HG12 VAL 21 HG12 VAL 21 0.864 -2.632 -6.212 154 HG13 VAL 21 HG13 VAL 21 0.922 -0.934 -6.690 155 HG21 VAL 21 HG21 VAL 21 -1.955 -2.158 -3.805 156 HG22 VAL 21 HG22 VAL 21 -0.829 -3.359 -4.437 157 HG23 VAL 21 HG23 VAL 21 -2.095 -2.705 -5.477 158 HA PRO 22 HA PRO 22 2.988 -3.382 -1.580 159 HB2 PRO 22 HB2 PRO 22 0.872 -4.012 0.375 160 HB3 PRO 22 HB3 PRO 22 2.492 -3.385 0.641 161 HG2 PRO 22 HG2 PRO 22 0.349 -1.841 0.951 162 HG3 PRO 22 HG3 PRO 22 1.857 -1.202 0.271 163 HD2 PRO 22 HD2 PRO 22 -0.652 -2.022 -1.134 164 HD3 PRO 22 HD3 PRO 22 0.391 -0.612 -1.417 165 H ARG 23 H ARG 23 3.379 -5.553 -1.592 166 HA ARG 23 HA ARG 23 1.475 -7.314 -2.801 167 HB2 ARG 23 HB2 ARG 23 4.100 -7.837 -1.386 168 HB3 ARG 23 HB3 ARG 23 3.144 -9.092 -2.154 169 HG2 ARG 23 HG2 ARG 23 3.397 -7.934 -4.313 170 HG3 ARG 23 HG3 ARG 23 4.406 -6.722 -3.522 171 HD2 ARG 23 HD2 ARG 23 6.015 -8.440 -2.920 172 HD3 ARG 23 HD3 ARG 23 4.998 -9.675 -3.655 173 HE ARG 23 HE ARG 23 5.579 -7.709 -5.579 174 HH11 ARG 23 HH11 ARG 23 7.159 -10.263 -3.786 175 HH12 ARG 23 HH12 ARG 23 8.348 -10.563 -5.011 176 HH21 ARG 23 HH21 ARG 23 7.153 -8.102 -7.199 177 HH22 ARG 23 HH22 ARG 23 8.353 -9.329 -6.950 178 H LEU 24 H LEU 24 -0.321 -7.681 -1.683 179 HA LEU 24 HA LEU 24 -0.675 -6.965 0.940 180 HB2 LEU 24 HB2 LEU 24 -2.242 -7.932 -1.184 181 HB3 LEU 24 HB3 LEU 24 -2.666 -8.847 0.244 182 HG LEU 24 HG LEU 24 -4.045 -6.792 -0.155 183 HD11 LEU 24 HD11 LEU 24 -4.037 -6.090 2.185 184 HD12 LEU 24 HD12 LEU 24 -2.490 -6.905 2.419 185 HD13 LEU 24 HD13 LEU 24 -3.932 -7.844 2.037 186 HD21 LEU 24 HD21 LEU 24 -3.130 -4.631 0.308 187 HD22 LEU 24 HD22 LEU 24 -2.133 -5.394 -0.932 188 HD23 LEU 24 HD23 LEU 24 -1.568 -5.329 0.738 189 HA PRO 25 HA PRO 25 -0.612 -11.785 2.153 190 HB2 PRO 25 HB2 PRO 25 1.725 -12.345 0.382 191 HB3 PRO 25 HB3 PRO 25 0.454 -13.442 0.934 192 HG2 PRO 25 HG2 PRO 25 0.374 -12.505 -1.521 193 HG3 PRO 25 HG3 PRO 25 -1.115 -12.543 -0.554 194 HD2 PRO 25 HD2 PRO 25 0.668 -10.225 -1.195 195 HD3 PRO 25 HD3 PRO 25 -1.100 -10.300 -1.129 196 H ASP 26 H ASP 26 2.092 -9.673 1.356 197 HA ASP 26 HA ASP 26 3.368 -10.452 3.900 198 HB2 ASP 26 HB2 ASP 26 4.596 -9.686 1.266 199 HB3 ASP 26 HB3 ASP 26 5.509 -9.597 2.768 200 H TYR 27 H TYR 27 1.926 -7.960 2.177 201 HA TYR 27 HA TYR 27 1.671 -5.733 2.433 202 HB2 TYR 27 HB2 TYR 27 2.204 -6.679 5.190 203 HB3 TYR 27 HB3 TYR 27 2.333 -4.946 4.912 204 HD1 TYR 27 HD1 TYR 27 0.258 -4.111 3.284 205 HD2 TYR 27 HD2 TYR 27 0.180 -7.330 6.067 206 HE1 TYR 27 HE1 TYR 27 -2.175 -3.861 3.492 207 HE2 TYR 27 HE2 TYR 27 -2.258 -7.095 6.275 208 HH TYR 27 HH TYR 27 -3.964 -5.305 5.959 209 H ILE 28 H ILE 28 4.160 -6.601 1.356 210 HA ILE 28 HA ILE 28 5.994 -4.564 2.415 211 HB ILE 28 HB ILE 28 7.740 -5.750 1.017 212 HG12 ILE 28 HG12 ILE 28 5.639 -7.931 0.984 213 HG13 ILE 28 HG13 ILE 28 6.145 -6.996 -0.416 214 HG21 ILE 28 HG21 ILE 28 6.475 -7.278 3.288 215 HG22 ILE 28 HG22 ILE 28 7.641 -5.963 3.434 216 HG23 ILE 28 HG23 ILE 28 8.122 -7.488 2.691 217 HD11 ILE 28 HD11 ILE 28 7.890 -8.842 1.194 218 HD12 ILE 28 HD12 ILE 28 8.393 -7.916 -0.220 219 HD13 ILE 28 HD13 ILE 28 7.183 -9.188 -0.384 220 H CYS 29 H CYS 29 7.620 -4.117 0.392 221 HA CYS 29 HA CYS 29 5.999 -2.504 -1.397 222 HB2 CYS 29 HB2 CYS 29 8.034 -1.642 -0.221 223 HB3 CYS 29 HB3 CYS 29 8.998 -2.792 -1.122 224 HA PRO 30 HA PRO 30 6.638 -5.476 -4.671 225 HB2 PRO 30 HB2 PRO 30 5.580 -4.124 -6.719 226 HB3 PRO 30 HB3 PRO 30 4.560 -4.685 -5.387 227 HG2 PRO 30 HG2 PRO 30 5.634 -1.953 -5.935 228 HG3 PRO 30 HG3 PRO 30 4.045 -2.422 -5.312 229 HD2 PRO 30 HD2 PRO 30 6.188 -1.538 -3.784 230 HD3 PRO 30 HD3 PRO 30 4.787 -2.442 -3.161 231 H ARG 31 H ARG 31 8.172 -2.526 -4.287 232 HA ARG 31 HA ARG 31 9.777 -2.807 -6.704 233 HB2 ARG 31 HB2 ARG 31 9.825 -0.473 -4.824 234 HB3 ARG 31 HB3 ARG 31 10.261 -0.521 -6.520 235 HG2 ARG 31 HG2 ARG 31 7.730 -1.158 -6.800 236 HG3 ARG 31 HG3 ARG 31 7.588 -0.370 -5.245 237 HD2 ARG 31 HD2 ARG 31 8.493 1.643 -6.103 238 HD3 ARG 31 HD3 ARG 31 8.874 0.898 -7.648 239 HE ARG 31 HE ARG 31 6.098 0.697 -7.082 240 HH11 ARG 31 HH11 ARG 31 8.535 2.970 -8.161 241 HH12 ARG 31 HH12 ARG 31 7.403 3.965 -9.022 242 HH21 ARG 31 HH21 ARG 31 4.612 2.012 -8.204 243 HH22 ARG 31 HH22 ARG 31 5.172 3.426 -9.039 244 H CYS 32 H CYS 32 10.055 -2.675 -3.164 245 HA CYS 32 HA CYS 32 12.826 -3.569 -3.520 246 HB2 CYS 32 HB2 CYS 32 13.624 -2.184 -1.714 247 HB3 CYS 32 HB3 CYS 32 12.845 -1.182 -2.928 248 H GLU 33 H GLU 33 9.869 -4.216 -2.137 249 HA GLU 33 HA GLU 33 9.098 -5.800 -0.701 250 HB2 GLU 33 HB2 GLU 33 11.806 -7.017 -1.257 251 HB3 GLU 33 HB3 GLU 33 10.426 -7.866 -0.578 252 HG2 GLU 33 HG2 GLU 33 9.204 -7.692 -2.586 253 HG3 GLU 33 HG3 GLU 33 10.333 -6.517 -3.254 254 H SER 34 H SER 34 10.259 -3.560 0.543 255 HA SER 34 HA SER 34 11.888 -4.594 2.717 256 HB2 SER 34 HB2 SER 34 12.853 -2.647 1.857 257 HB3 SER 34 HB3 SER 34 11.306 -1.813 1.706 258 HG SER 34 HG SER 34 12.875 -2.296 4.000 259 H GLY 35 H GLY 35 9.017 -2.473 2.449 260 HA2 GLY 35 HA2 GLY 35 7.023 -3.258 3.681 261 HA3 GLY 35 HA3 GLY 35 8.126 -3.637 4.989 262 H PHE 36 H PHE 36 9.623 -1.092 4.263 263 HA PHE 36 HA PHE 36 8.283 0.694 6.013 264 HB2 PHE 36 HB2 PHE 36 10.644 0.931 4.186 265 HB3 PHE 36 HB3 PHE 36 9.968 2.369 4.939 266 HD1 PHE 36 HD1 PHE 36 11.592 -0.868 5.593 267 HD2 PHE 36 HD2 PHE 36 10.265 2.831 7.212 268 HE1 PHE 36 HE1 PHE 36 12.843 -1.335 7.660 269 HE2 PHE 36 HE2 PHE 36 11.517 2.378 9.285 270 HZ PHE 36 HZ PHE 36 12.806 0.290 9.508 271 H ILE 37 H ILE 37 6.192 0.829 5.137 272 HA ILE 37 HA ILE 37 5.955 2.713 2.913 273 HB ILE 37 HB ILE 37 4.028 1.440 2.030 274 HG12 ILE 37 HG12 ILE 37 4.882 -0.580 4.102 275 HG13 ILE 37 HG13 ILE 37 3.310 0.159 3.911 276 HG21 ILE 37 HG21 ILE 37 5.412 -0.419 1.037 277 HG22 ILE 37 HG22 ILE 37 6.717 0.105 2.103 278 HG23 ILE 37 HG23 ILE 37 6.076 1.208 0.886 279 HD11 ILE 37 HD11 ILE 37 3.338 -2.173 3.180 280 HD12 ILE 37 HD12 ILE 37 4.553 -1.771 1.967 281 HD13 ILE 37 HD13 ILE 37 2.938 -1.071 1.865 282 H GLU 38 H GLU 38 4.087 3.985 2.945 283 HA GLU 38 HA GLU 38 2.723 4.004 5.549 284 HB2 GLU 38 HB2 GLU 38 3.495 6.255 3.714 285 HB3 GLU 38 HB3 GLU 38 2.328 6.460 5.018 286 HG2 GLU 38 HG2 GLU 38 4.171 5.515 6.532 287 HG3 GLU 38 HG3 GLU 38 5.254 5.856 5.183 288 H GLU 39 H GLU 39 0.618 3.756 5.599 289 HA GLU 39 HA GLU 39 -0.852 3.295 3.172 290 HB2 GLU 39 HB2 GLU 39 -1.056 2.042 5.405 291 HB3 GLU 39 HB3 GLU 39 -1.956 3.429 5.980 292 HG2 GLU 39 HG2 GLU 39 -2.796 2.002 3.498 293 HG3 GLU 39 HG3 GLU 39 -3.204 1.357 5.082 294 H LEU 40 H LEU 40 -1.640 4.919 2.028 295 HA LEU 40 HA LEU 40 -1.632 7.579 3.118 296 HB2 LEU 40 HB2 LEU 40 -2.381 6.571 0.386 297 HB3 LEU 40 HB3 LEU 40 -2.233 8.261 0.819 298 HG LEU 40 HG LEU 40 0.017 6.249 0.847 299 HD11 LEU 40 HD11 LEU 40 -0.621 8.473 -1.071 300 HD12 LEU 40 HD12 LEU 40 -0.671 6.740 -1.403 301 HD13 LEU 40 HD13 LEU 40 0.868 7.528 -1.058 302 HD21 LEU 40 HD21 LEU 40 0.002 9.221 1.351 303 HD22 LEU 40 HD22 LEU 40 1.447 8.226 1.183 304 HD23 LEU 40 HD23 LEU 40 0.346 7.958 2.534 Start of MODEL 14 1 H1 GLY -1 H1 GLY -1 -24.421 -0.661 9.297 2 H2 GLY -1 H2 GLY -1 -24.752 -2.175 8.621 3 H3 GLY -1 H3 GLY -1 -24.854 -0.785 7.668 4 HA2 GLY -1 HA3 GLY -1 -22.485 -0.417 7.882 5 HA3 GLY -1 HA2 GLY -1 -22.375 -1.854 8.887 6 H SER 0 H SER 0 -20.884 -2.735 7.407 7 HA SER 0 HA SER 0 -20.215 -4.048 5.693 8 HB2 SER 0 HB2 SER 0 -22.220 -5.353 6.594 9 HB3 SER 0 HB3 SER 0 -23.128 -4.701 5.229 10 HG SER 0 HG SER 0 -20.716 -6.208 5.032 11 H MET 1 H MET 1 -20.941 -1.257 5.190 12 HA MET 1 HA MET 1 -21.760 -1.298 2.389 13 HB2 MET 1 HB2 MET 1 -22.722 0.474 3.729 14 HB3 MET 1 HB3 MET 1 -21.131 0.975 4.285 15 HG2 MET 1 HG2 MET 1 -20.545 1.644 2.012 16 HG3 MET 1 HG3 MET 1 -22.139 1.143 1.454 17 HE1 MET 1 HE1 MET 1 -24.515 3.710 3.130 18 HE2 MET 1 HE2 MET 1 -24.108 2.087 3.687 19 HE3 MET 1 HE3 MET 1 -24.367 2.391 1.970 20 H ALA 2 H ALA 2 -19.117 0.186 4.265 21 HA ALA 2 HA ALA 2 -17.331 -0.097 1.993 22 HB1 ALA 2 HB1 ALA 2 -16.778 0.991 4.751 23 HB2 ALA 2 HB2 ALA 2 -17.260 1.950 3.353 24 HB3 ALA 2 HB3 ALA 2 -15.715 1.102 3.350 25 H GLU 3 H GLU 3 -18.139 -1.632 4.946 26 HA GLU 3 HA GLU 3 -17.553 -3.567 5.942 27 HB2 GLU 3 HB2 GLU 3 -17.924 -4.380 3.578 28 HB3 GLU 3 HB3 GLU 3 -16.185 -4.291 3.347 29 HG2 GLU 3 HG2 GLU 3 -16.927 -6.551 3.848 30 HG3 GLU 3 HG3 GLU 3 -15.835 -5.930 5.082 31 H ALA 4 H ALA 4 -15.985 -1.444 6.526 32 HA ALA 4 HA ALA 4 -14.056 -0.837 7.542 33 HB1 ALA 4 HB1 ALA 4 -12.637 -2.570 8.501 34 HB2 ALA 4 HB2 ALA 4 -13.452 -3.791 7.525 35 HB3 ALA 4 HB3 ALA 4 -14.342 -2.927 8.778 36 H SER 5 H SER 5 -11.498 -1.238 7.355 37 HA SER 5 HA SER 5 -10.693 -2.008 4.695 38 HB2 SER 5 HB2 SER 5 -11.451 0.394 4.495 39 HB3 SER 5 HB3 SER 5 -10.140 0.828 5.589 40 HG SER 5 HG SER 5 -8.767 0.618 4.014 41 HA PRO 6 HA PRO 6 -7.355 -2.914 7.686 42 HB2 PRO 6 HB2 PRO 6 -6.986 -5.311 6.089 43 HB3 PRO 6 HB3 PRO 6 -7.417 -5.177 7.792 44 HG2 PRO 6 HG2 PRO 6 -9.133 -6.085 5.879 45 HG3 PRO 6 HG3 PRO 6 -9.663 -5.280 7.366 46 HD2 PRO 6 HD2 PRO 6 -9.403 -4.174 4.599 47 HD3 PRO 6 HD3 PRO 6 -10.660 -3.880 5.818 48 H HIS 7 H HIS 7 -7.762 -2.541 4.349 49 HA HIS 7 HA HIS 7 -5.239 -1.364 3.930 50 HB2 HIS 7 HB2 HIS 7 -4.373 -2.960 2.229 51 HB3 HIS 7 HB3 HIS 7 -4.366 -3.618 3.852 52 HD1 HIS 7 HD1 HIS 7 -5.847 -4.122 0.478 53 HD2 HIS 7 HD2 HIS 7 -6.223 -5.717 4.294 54 HE1 HIS 7 HE1 HIS 7 -7.111 -6.273 0.188 55 HE2 HIS 7 HE2 HIS 7 -7.490 -7.119 2.531 56 HA PRO 8 HA PRO 8 -8.001 0.088 0.742 57 HB2 PRO 8 HB2 PRO 8 -6.604 2.365 0.197 58 HB3 PRO 8 HB3 PRO 8 -7.685 2.189 1.579 59 HG2 PRO 8 HG2 PRO 8 -4.774 2.358 1.522 60 HG3 PRO 8 HG3 PRO 8 -5.878 2.530 2.893 61 HD2 PRO 8 HD2 PRO 8 -4.287 0.241 2.120 62 HD3 PRO 8 HD3 PRO 8 -5.271 0.463 3.574 63 H GLY 9 H GLY 9 -4.624 0.944 0.013 64 HA2 GLY 9 HA2 GLY 9 -3.862 -0.986 -1.718 65 HA3 GLY 9 HA3 GLY 9 -4.897 0.034 -2.716 66 H ARG 10 H ARG 10 -4.359 2.471 -1.594 67 HA ARG 10 HA ARG 10 -1.883 3.179 -2.794 68 HB2 ARG 10 HB2 ARG 10 -2.418 5.439 -1.852 69 HB3 ARG 10 HB3 ARG 10 -3.687 4.753 -2.855 70 HG2 ARG 10 HG2 ARG 10 -5.038 4.268 -1.021 71 HG3 ARG 10 HG3 ARG 10 -3.715 4.459 0.126 72 HD2 ARG 10 HD2 ARG 10 -4.712 6.473 0.423 73 HD3 ARG 10 HD3 ARG 10 -3.707 6.884 -0.960 74 HE ARG 10 HE ARG 10 -5.749 6.344 -2.330 75 HH11 ARG 10 HH11 ARG 10 -5.944 7.483 0.970 76 HH12 ARG 10 HH12 ARG 10 -7.490 8.245 0.748 77 HH21 ARG 10 HH21 ARG 10 -7.782 7.343 -2.629 78 HH22 ARG 10 HH22 ARG 10 -8.538 8.156 -1.298 79 H TYR 11 H TYR 11 0.014 2.772 -1.889 80 HA TYR 11 HA TYR 11 0.381 3.629 0.897 81 HB2 TYR 11 HB2 TYR 11 1.328 1.120 -0.416 82 HB3 TYR 11 HB3 TYR 11 2.359 1.890 0.779 83 HD1 TYR 11 HD2 TYR 11 -1.191 0.775 0.374 84 HD2 TYR 11 HD1 TYR 11 2.124 1.320 2.973 85 HE1 TYR 11 HE2 TYR 11 -2.435 -0.312 2.187 86 HE2 TYR 11 HE1 TYR 11 0.898 0.242 4.792 87 HH TYR 11 HH TYR 11 -1.856 -1.574 4.332 88 H PHE 12 H PHE 12 2.639 4.233 1.352 89 HA PHE 12 HA PHE 12 4.065 5.134 -1.051 90 HB2 PHE 12 HB2 PHE 12 2.746 6.928 0.223 91 HB3 PHE 12 HB3 PHE 12 3.958 6.751 1.489 92 HD1 PHE 12 HD2 PHE 12 3.326 7.757 -1.958 93 HD2 PHE 12 HD1 PHE 12 6.162 7.625 1.208 94 HE1 PHE 12 HE2 PHE 12 4.774 9.321 -3.196 95 HE2 PHE 12 HE1 PHE 12 7.626 9.184 -0.025 96 HZ PHE 12 HZ PHE 12 6.924 10.037 -2.229 97 H CYS 13 H CYS 13 5.930 4.096 -1.114 98 HA CYS 13 HA CYS 13 7.019 2.849 1.239 99 HB2 CYS 13 HB2 CYS 13 7.177 1.612 -0.803 100 HB3 CYS 13 HB3 CYS 13 7.936 2.960 -1.633 101 H HIS 14 H HIS 14 8.722 3.451 2.426 102 HA HIS 14 HA HIS 14 9.714 6.151 2.040 103 HB2 HIS 14 HB2 HIS 14 9.683 4.187 4.271 104 HB3 HIS 14 HB3 HIS 14 10.984 5.378 4.262 105 HD1 HIS 14 HD1 HIS 14 10.422 7.455 5.470 106 HD2 HIS 14 HD2 HIS 14 7.033 5.605 3.934 107 HE1 HIS 14 HE1 HIS 14 8.486 8.875 6.208 108 HE2 HIS 14 HE2 HIS 14 6.460 7.826 5.138 109 H CYS 15 H CYS 15 10.711 3.012 1.278 110 HA CYS 15 HA CYS 15 13.542 3.633 1.218 111 HB2 CYS 15 HB2 CYS 15 12.720 1.345 1.717 112 HB3 CYS 15 HB3 CYS 15 12.046 1.253 0.100 113 HG CYS 15 HG CYS 15 15.201 0.818 1.121 114 H CYS 16 H CYS 16 10.838 3.336 -0.981 115 HA CYS 16 HA CYS 16 12.540 3.986 -3.273 116 HB2 CYS 16 HB2 CYS 16 9.619 3.221 -3.160 117 HB3 CYS 16 HB3 CYS 16 10.531 3.513 -4.629 118 H SER 17 H SER 17 10.490 5.466 -1.059 119 HA SER 17 HA SER 17 9.262 7.341 -0.891 120 HB2 SER 17 HB2 SER 17 10.324 9.419 -1.738 121 HB3 SER 17 HB3 SER 17 11.425 8.393 -0.830 122 HG SER 17 HG SER 17 11.483 7.794 -3.475 123 H VAL 18 H VAL 18 8.163 5.668 -2.687 124 HA VAL 18 HA VAL 18 6.862 7.528 -4.533 125 HB VAL 18 HB VAL 18 6.767 5.851 -6.309 126 HG11 VAL 18 HG11 VAL 18 9.089 5.937 -7.046 127 HG12 VAL 18 HG12 VAL 18 9.596 6.381 -5.416 128 HG13 VAL 18 HG13 VAL 18 8.583 7.479 -6.356 129 HG21 VAL 18 HG21 VAL 18 8.187 3.840 -6.194 130 HG22 VAL 18 HG22 VAL 18 6.892 3.837 -4.996 131 HG23 VAL 18 HG23 VAL 18 8.542 4.220 -4.509 132 H GLU 19 H GLU 19 4.812 6.646 -5.352 133 HA GLU 19 HA GLU 19 3.327 5.490 -3.148 134 HB2 GLU 19 HB2 GLU 19 2.683 7.462 -4.801 135 HB3 GLU 19 HB3 GLU 19 2.071 6.139 -5.780 136 HG2 GLU 19 HG2 GLU 19 0.851 5.428 -3.646 137 HG3 GLU 19 HG3 GLU 19 1.196 7.052 -3.080 138 H ILE 20 H ILE 20 2.657 3.439 -3.044 139 HA ILE 20 HA ILE 20 3.013 1.701 -5.403 140 HB ILE 20 HB ILE 20 3.977 -0.041 -3.930 141 HG12 ILE 20 HG12 ILE 20 4.800 1.782 -1.819 142 HG13 ILE 20 HG13 ILE 20 3.055 1.591 -1.885 143 HG21 ILE 20 HG21 ILE 20 5.473 1.312 -5.261 144 HG22 ILE 20 HG22 ILE 20 6.214 0.950 -3.702 145 HG23 ILE 20 HG23 ILE 20 5.520 2.544 -4.001 146 HD11 ILE 20 HD11 ILE 20 3.359 -0.849 -1.760 147 HD12 ILE 20 HD12 ILE 20 3.993 0.005 -0.354 148 HD13 ILE 20 HD13 ILE 20 5.097 -0.596 -1.593 149 H VAL 21 H VAL 21 2.015 -0.403 -5.140 150 HA VAL 21 HA VAL 21 -0.119 -0.493 -3.113 151 HB VAL 21 HB VAL 21 -1.193 -0.472 -5.236 152 HG11 VAL 21 HG11 VAL 21 -0.605 -1.964 -7.074 153 HG12 VAL 21 HG12 VAL 21 0.717 -2.628 -6.114 154 HG13 VAL 21 HG13 VAL 21 0.755 -0.936 -6.616 155 HG21 VAL 21 HG21 VAL 21 -2.256 -2.675 -5.353 156 HG22 VAL 21 HG22 VAL 21 -2.085 -2.125 -3.687 157 HG23 VAL 21 HG23 VAL 21 -0.983 -3.341 -4.330 158 HA PRO 22 HA PRO 22 2.847 -3.368 -1.478 159 HB2 PRO 22 HB2 PRO 22 0.694 -4.026 0.431 160 HB3 PRO 22 HB3 PRO 22 2.315 -3.417 0.735 161 HG2 PRO 22 HG2 PRO 22 0.182 -1.860 1.033 162 HG3 PRO 22 HG3 PRO 22 1.705 -1.224 0.384 163 HD2 PRO 22 HD2 PRO 22 -0.795 -1.990 -1.064 164 HD3 PRO 22 HD3 PRO 22 0.278 -0.600 -1.325 165 H ARG 23 H ARG 23 3.293 -5.484 -1.678 166 HA ARG 23 HA ARG 23 1.445 -7.316 -2.832 167 HB2 ARG 23 HB2 ARG 23 4.072 -7.777 -1.393 168 HB3 ARG 23 HB3 ARG 23 3.176 -9.027 -2.241 169 HG2 ARG 23 HG2 ARG 23 3.460 -7.814 -4.340 170 HG3 ARG 23 HG3 ARG 23 4.345 -6.546 -3.490 171 HD2 ARG 23 HD2 ARG 23 6.059 -8.152 -2.865 172 HD3 ARG 23 HD3 ARG 23 5.164 -9.444 -3.659 173 HE ARG 23 HE ARG 23 5.635 -7.430 -5.540 174 HH11 ARG 23 HH11 ARG 23 7.404 -9.823 -3.699 175 HH12 ARG 23 HH12 ARG 23 8.702 -9.935 -4.844 176 HH21 ARG 23 HH21 ARG 23 7.328 -7.581 -7.059 177 HH22 ARG 23 HH22 ARG 23 8.652 -8.668 -6.769 178 H LEU 24 H LEU 24 -0.327 -7.833 -1.717 179 HA LEU 24 HA LEU 24 -0.673 -7.031 0.902 180 HB2 LEU 24 HB2 LEU 24 -2.273 -7.970 -1.166 181 HB3 LEU 24 HB3 LEU 24 -2.602 -9.018 0.197 182 HG LEU 24 HG LEU 24 -4.113 -7.055 0.054 183 HD11 LEU 24 HD11 LEU 24 -2.348 -7.181 2.487 184 HD12 LEU 24 HD12 LEU 24 -3.766 -8.181 2.175 185 HD13 LEU 24 HD13 LEU 24 -3.948 -6.443 2.416 186 HD21 LEU 24 HD21 LEU 24 -3.305 -4.855 0.570 187 HD22 LEU 24 HD22 LEU 24 -2.399 -5.480 -0.807 188 HD23 LEU 24 HD23 LEU 24 -1.665 -5.462 0.797 189 HA PRO 25 HA PRO 25 -0.574 -11.777 2.251 190 HB2 PRO 25 HB2 PRO 25 1.628 -12.522 0.385 191 HB3 PRO 25 HB3 PRO 25 0.316 -13.522 1.021 192 HG2 PRO 25 HG2 PRO 25 0.200 -12.649 -1.458 193 HG3 PRO 25 HG3 PRO 25 -1.252 -12.569 -0.438 194 HD2 PRO 25 HD2 PRO 25 0.652 -10.384 -1.191 195 HD3 PRO 25 HD3 PRO 25 -1.117 -10.352 -1.095 196 H ASP 26 H ASP 26 2.136 -9.784 1.234 197 HA ASP 26 HA ASP 26 3.603 -10.617 3.653 198 HB2 ASP 26 HB2 ASP 26 4.621 -9.639 0.990 199 HB3 ASP 26 HB3 ASP 26 5.638 -9.711 2.425 200 H TYR 27 H TYR 27 1.987 -8.074 2.167 201 HA TYR 27 HA TYR 27 1.722 -5.868 2.539 202 HB2 TYR 27 HB2 TYR 27 2.339 -6.969 5.213 203 HB3 TYR 27 HB3 TYR 27 2.470 -5.221 5.046 204 HD1 TYR 27 HD2 TYR 27 0.330 -4.484 3.282 205 HD2 TYR 27 HD1 TYR 27 0.365 -7.463 6.319 206 HE1 TYR 27 HE2 TYR 27 -2.100 -4.250 3.520 207 HE2 TYR 27 HE1 TYR 27 -2.071 -7.246 6.566 208 HH TYR 27 HH TYR 27 -3.816 -5.472 6.132 209 H ILE 28 H ILE 28 4.113 -6.527 1.261 210 HA ILE 28 HA ILE 28 5.980 -4.549 2.380 211 HB ILE 28 HB ILE 28 7.719 -5.708 0.983 212 HG12 ILE 28 HG12 ILE 28 5.570 -7.831 0.796 213 HG13 ILE 28 HG13 ILE 28 6.173 -6.864 -0.543 214 HG21 ILE 28 HG21 ILE 28 6.399 -7.309 3.169 215 HG22 ILE 28 HG22 ILE 28 7.599 -6.034 3.381 216 HG23 ILE 28 HG23 ILE 28 8.045 -7.541 2.580 217 HD11 ILE 28 HD11 ILE 28 7.740 -8.864 1.059 218 HD12 ILE 28 HD12 ILE 28 8.387 -7.868 -0.246 219 HD13 ILE 28 HD13 ILE 28 7.139 -9.067 -0.587 220 H CYS 29 H CYS 29 7.592 -4.144 0.304 221 HA CYS 29 HA CYS 29 5.979 -2.492 -1.458 222 HB2 CYS 29 HB2 CYS 29 8.042 -1.672 -0.297 223 HB3 CYS 29 HB3 CYS 29 8.976 -2.822 -1.227 224 HA PRO 30 HA PRO 30 6.400 -5.479 -4.749 225 HB2 PRO 30 HB2 PRO 30 5.500 -3.982 -6.795 226 HB3 PRO 30 HB3 PRO 30 4.417 -4.568 -5.530 227 HG2 PRO 30 HG2 PRO 30 5.600 -1.856 -5.906 228 HG3 PRO 30 HG3 PRO 30 3.980 -2.304 -5.350 229 HD2 PRO 30 HD2 PRO 30 6.073 -1.551 -3.707 230 HD3 PRO 30 HD3 PRO 30 4.662 -2.499 -3.184 231 H ARG 31 H ARG 31 8.038 -2.529 -4.459 232 HA ARG 31 HA ARG 31 9.703 -2.971 -6.804 233 HB2 ARG 31 HB2 ARG 31 10.084 -0.683 -4.929 234 HB3 ARG 31 HB3 ARG 31 10.299 -0.745 -6.666 235 HG2 ARG 31 HG2 ARG 31 7.691 -1.123 -6.598 236 HG3 ARG 31 HG3 ARG 31 7.859 -0.291 -5.064 237 HD2 ARG 31 HD2 ARG 31 7.378 1.274 -6.848 238 HD3 ARG 31 HD3 ARG 31 8.976 1.557 -6.171 239 HE ARG 31 HE ARG 31 9.457 -0.075 -8.287 240 HH11 ARG 31 HH11 ARG 31 7.715 2.943 -7.956 241 HH12 ARG 31 HH12 ARG 31 8.145 3.511 -9.535 242 HH21 ARG 31 HH21 ARG 31 10.013 0.659 -10.367 243 HH22 ARG 31 HH22 ARG 31 9.452 2.208 -10.912 244 H CYS 32 H CYS 32 10.068 -2.590 -3.251 245 HA CYS 32 HA CYS 32 12.799 -3.613 -3.613 246 HB2 CYS 32 HB2 CYS 32 13.620 -2.167 -1.869 247 HB3 CYS 32 HB3 CYS 32 12.787 -1.198 -3.075 248 H GLU 33 H GLU 33 9.855 -4.272 -2.225 249 HA GLU 33 HA GLU 33 9.096 -5.763 -0.687 250 HB2 GLU 33 HB2 GLU 33 11.810 -6.971 -1.217 251 HB3 GLU 33 HB3 GLU 33 10.554 -7.755 -0.278 252 HG2 GLU 33 HG2 GLU 33 9.077 -7.649 -2.271 253 HG3 GLU 33 HG3 GLU 33 10.449 -7.027 -3.189 254 H SER 34 H SER 34 10.113 -3.443 0.442 255 HA SER 34 HA SER 34 11.909 -4.180 2.588 256 HB2 SER 34 HB2 SER 34 12.482 -2.107 1.668 257 HB3 SER 34 HB3 SER 34 10.803 -1.582 1.567 258 HG SER 34 HG SER 34 12.587 -1.279 3.582 259 H GLY 35 H GLY 35 8.726 -2.573 2.401 260 HA2 GLY 35 HA2 GLY 35 6.931 -3.399 3.835 261 HA3 GLY 35 HA3 GLY 35 8.162 -3.685 5.053 262 H PHE 36 H PHE 36 9.515 -1.135 4.344 263 HA PHE 36 HA PHE 36 8.157 0.634 6.095 264 HB2 PHE 36 HB2 PHE 36 10.525 0.887 4.277 265 HB3 PHE 36 HB3 PHE 36 9.833 2.323 5.020 266 HD1 PHE 36 HD1 PHE 36 11.312 -0.985 5.786 267 HD2 PHE 36 HD2 PHE 36 10.294 2.888 7.206 268 HE1 PHE 36 HE1 PHE 36 12.581 -1.417 7.850 269 HE2 PHE 36 HE2 PHE 36 11.561 2.469 9.277 270 HZ PHE 36 HZ PHE 36 12.706 0.313 9.600 271 H ILE 37 H ILE 37 6.056 0.765 5.190 272 HA ILE 37 HA ILE 37 5.872 2.657 2.963 273 HB ILE 37 HB ILE 37 3.926 1.400 2.071 274 HG12 ILE 37 HG12 ILE 37 4.797 -0.648 4.116 275 HG13 ILE 37 HG13 ILE 37 3.227 0.106 3.966 276 HG21 ILE 37 HG21 ILE 37 5.301 -0.436 1.050 277 HG22 ILE 37 HG22 ILE 37 6.609 0.050 2.133 278 HG23 ILE 37 HG23 ILE 37 5.986 1.186 0.934 279 HD11 ILE 37 HD11 ILE 37 4.419 -1.792 1.959 280 HD12 ILE 37 HD12 ILE 37 2.799 -1.097 1.919 281 HD13 ILE 37 HD13 ILE 37 3.242 -2.223 3.198 282 H GLU 38 H GLU 38 3.995 3.934 2.955 283 HA GLU 38 HA GLU 38 2.648 4.043 5.564 284 HB2 GLU 38 HB2 GLU 38 3.414 6.204 3.631 285 HB3 GLU 38 HB3 GLU 38 2.190 6.468 4.866 286 HG2 GLU 38 HG2 GLU 38 3.955 5.715 6.535 287 HG3 GLU 38 HG3 GLU 38 5.111 5.902 5.215 288 H GLU 39 H GLU 39 0.554 3.718 5.628 289 HA GLU 39 HA GLU 39 -0.966 3.366 3.203 290 HB2 GLU 39 HB2 GLU 39 -1.192 1.965 5.304 291 HB3 GLU 39 HB3 GLU 39 -1.959 3.351 6.060 292 HG2 GLU 39 HG2 GLU 39 -3.082 2.439 3.483 293 HG3 GLU 39 HG3 GLU 39 -3.311 1.386 4.879 294 H LEU 40 H LEU 40 -1.681 5.079 2.150 295 HA LEU 40 HA LEU 40 -1.439 7.670 3.325 296 HB2 LEU 40 HB2 LEU 40 -2.412 6.827 0.615 297 HB3 LEU 40 HB3 LEU 40 -2.110 8.484 1.090 298 HG LEU 40 HG LEU 40 -0.035 6.300 0.940 299 HD11 LEU 40 HD11 LEU 40 -0.814 6.977 -1.247 300 HD12 LEU 40 HD12 LEU 40 0.827 7.555 -0.958 301 HD13 LEU 40 HD13 LEU 40 -0.535 8.670 -0.840 302 HD21 LEU 40 HD21 LEU 40 0.187 9.228 1.613 303 HD22 LEU 40 HD22 LEU 40 1.557 8.175 1.267 304 HD23 LEU 40 HD23 LEU 40 0.540 7.864 2.674 Start of MODEL 15 1 H1 GLY -1 H1 GLY -1 -21.280 -8.990 -8.132 2 H2 GLY -1 H2 GLY -1 -22.123 -7.682 -7.476 3 H3 GLY -1 H3 GLY -1 -20.572 -8.049 -6.916 4 HA2 GLY -1 HA3 GLY -1 -19.635 -7.517 -9.082 5 HA3 GLY -1 HA2 GLY -1 -21.249 -7.122 -9.651 6 H SER 0 H SER 0 -22.409 -5.463 -8.166 7 HA SER 0 HA SER 0 -20.739 -3.131 -8.194 8 HB2 SER 0 HB2 SER 0 -22.866 -1.987 -7.455 9 HB3 SER 0 HB3 SER 0 -22.992 -2.882 -8.969 10 HG SER 0 HG SER 0 -24.744 -3.486 -7.800 11 H MET 1 H MET 1 -19.674 -2.261 -6.573 12 HA MET 1 HA MET 1 -18.852 -1.804 -4.522 13 HB2 MET 1 HB2 MET 1 -21.096 -0.846 -4.183 14 HB3 MET 1 HB3 MET 1 -21.671 -2.402 -3.604 15 HG2 MET 1 HG2 MET 1 -21.214 -0.854 -1.774 16 HG3 MET 1 HG3 MET 1 -20.183 -2.282 -1.701 17 HE1 MET 1 HE1 MET 1 -19.587 0.335 -0.015 18 HE2 MET 1 HE2 MET 1 -17.847 0.495 -0.256 19 HE3 MET 1 HE3 MET 1 -18.557 -1.097 0.006 20 H ALA 2 H ALA 2 -17.614 -3.797 -4.871 21 HA ALA 2 HA ALA 2 -18.323 -5.918 -2.963 22 HB1 ALA 2 HB1 ALA 2 -16.675 -7.296 -4.116 23 HB2 ALA 2 HB2 ALA 2 -16.249 -5.937 -5.155 24 HB3 ALA 2 HB3 ALA 2 -17.857 -6.655 -5.258 25 H GLU 3 H GLU 3 -17.150 -3.189 -2.496 26 HA GLU 3 HA GLU 3 -15.644 -2.162 -1.173 27 HB2 GLU 3 HB2 GLU 3 -15.308 -4.935 -0.023 28 HB3 GLU 3 HB3 GLU 3 -14.700 -3.456 0.709 29 HG2 GLU 3 HG2 GLU 3 -16.986 -2.616 0.880 30 HG3 GLU 3 HG3 GLU 3 -17.584 -4.131 0.207 31 H ALA 4 H ALA 4 -14.752 -2.913 -3.695 32 HA ALA 4 HA ALA 4 -12.051 -3.916 -3.424 33 HB1 ALA 4 HB1 ALA 4 -13.409 -4.485 -5.398 34 HB2 ALA 4 HB2 ALA 4 -11.912 -3.661 -5.831 35 HB3 ALA 4 HB3 ALA 4 -13.440 -2.780 -5.849 36 H SER 5 H SER 5 -13.599 -0.972 -3.044 37 HA SER 5 HA SER 5 -11.167 0.544 -3.635 38 HB2 SER 5 HB2 SER 5 -13.912 1.606 -2.930 39 HB3 SER 5 HB3 SER 5 -12.532 2.548 -3.483 40 HG SER 5 HG SER 5 -12.654 1.008 -5.379 41 HA PRO 6 HA PRO 6 -11.921 1.638 1.003 42 HB2 PRO 6 HB2 PRO 6 -13.765 -0.329 2.101 43 HB3 PRO 6 HB3 PRO 6 -13.879 1.431 2.122 44 HG2 PRO 6 HG2 PRO 6 -15.539 -0.133 0.659 45 HG3 PRO 6 HG3 PRO 6 -15.077 1.508 0.167 46 HD2 PRO 6 HD2 PRO 6 -14.008 -1.126 -0.777 47 HD3 PRO 6 HD3 PRO 6 -14.414 0.324 -1.713 48 H HIS 7 H HIS 7 -9.831 0.648 0.764 49 HA HIS 7 HA HIS 7 -9.227 -1.162 2.830 50 HB2 HIS 7 HB2 HIS 7 -8.486 -3.114 1.635 51 HB3 HIS 7 HB3 HIS 7 -10.133 -2.805 1.126 52 HD1 HIS 7 HD1 HIS 7 -6.673 -3.091 -0.147 53 HD2 HIS 7 HD2 HIS 7 -10.374 -1.809 -1.542 54 HE1 HIS 7 HE1 HIS 7 -6.435 -2.926 -2.642 55 HE2 HIS 7 HE2 HIS 7 -8.642 -2.021 -3.450 56 HA PRO 8 HA PRO 8 -5.237 0.737 2.099 57 HB2 PRO 8 HB2 PRO 8 -3.987 -1.870 2.724 58 HB3 PRO 8 HB3 PRO 8 -3.758 -0.301 3.500 59 HG2 PRO 8 HG2 PRO 8 -5.113 -2.260 4.695 60 HG3 PRO 8 HG3 PRO 8 -5.591 -0.562 4.874 61 HD2 PRO 8 HD2 PRO 8 -6.807 -2.706 3.179 62 HD3 PRO 8 HD3 PRO 8 -7.597 -1.402 4.092 63 H GLY 9 H GLY 9 -4.561 1.103 0.084 64 HA2 GLY 9 HA2 GLY 9 -3.635 -1.142 -1.535 65 HA3 GLY 9 HA3 GLY 9 -4.931 -0.160 -2.201 66 H ARG 10 H ARG 10 -4.146 2.338 -1.313 67 HA ARG 10 HA ARG 10 -1.797 2.848 -2.940 68 HB2 ARG 10 HB2 ARG 10 -2.409 5.252 -2.474 69 HB3 ARG 10 HB3 ARG 10 -3.618 4.313 -3.341 70 HG2 ARG 10 HG2 ARG 10 -5.065 4.256 -1.565 71 HG3 ARG 10 HG3 ARG 10 -3.789 4.522 -0.377 72 HD2 ARG 10 HD2 ARG 10 -4.302 6.672 -0.369 73 HD3 ARG 10 HD3 ARG 10 -3.813 6.774 -2.058 74 HE ARG 10 HE ARG 10 -6.110 6.372 -2.677 75 HH11 ARG 10 HH11 ARG 10 -5.552 7.031 0.722 76 HH12 ARG 10 HH12 ARG 10 -7.160 7.630 0.994 77 HH21 ARG 10 HH21 ARG 10 -8.238 7.142 -2.308 78 HH22 ARG 10 HH22 ARG 10 -8.689 7.676 -0.719 79 H TYR 11 H TYR 11 0.055 2.462 -1.905 80 HA TYR 11 HA TYR 11 0.368 3.538 0.821 81 HB2 TYR 11 HB2 TYR 11 1.415 1.058 -0.471 82 HB3 TYR 11 HB3 TYR 11 2.402 1.851 0.746 83 HD1 TYR 11 HD1 TYR 11 -1.079 0.550 0.249 84 HD2 TYR 11 HD2 TYR 11 2.118 1.319 2.951 85 HE1 TYR 11 HE1 TYR 11 -2.311 -0.611 2.048 86 HE2 TYR 11 HE2 TYR 11 0.915 0.167 4.733 87 HH TYR 11 HH TYR 11 -1.499 -0.369 5.278 88 H PHE 12 H PHE 12 2.650 4.145 1.325 89 HA PHE 12 HA PHE 12 4.080 5.111 -1.055 90 HB2 PHE 12 HB2 PHE 12 2.755 6.871 0.260 91 HB3 PHE 12 HB3 PHE 12 3.962 6.662 1.527 92 HD1 PHE 12 HD1 PHE 12 3.344 7.750 -1.899 93 HD2 PHE 12 HD2 PHE 12 6.168 7.552 1.277 94 HE1 PHE 12 HE1 PHE 12 4.794 9.344 -3.092 95 HE2 PHE 12 HE2 PHE 12 7.632 9.145 0.084 96 HZ PHE 12 HZ PHE 12 6.937 10.045 -2.099 97 H CYS 13 H CYS 13 5.970 4.116 -1.135 98 HA CYS 13 HA CYS 13 7.061 2.815 1.193 99 HB2 CYS 13 HB2 CYS 13 7.231 1.626 -0.874 100 HB3 CYS 13 HB3 CYS 13 7.976 2.999 -1.675 101 H HIS 14 H HIS 14 8.669 3.462 2.452 102 HA HIS 14 HA HIS 14 9.588 6.174 2.262 103 HB2 HIS 14 HB2 HIS 14 9.980 3.926 4.203 104 HB3 HIS 14 HB3 HIS 14 11.016 5.347 4.297 105 HD1 HIS 14 HD1 HIS 14 10.007 6.035 6.576 106 HD2 HIS 14 HD2 HIS 14 7.244 5.849 3.478 107 HE1 HIS 14 HE1 HIS 14 7.950 7.184 7.436 108 HE2 HIS 14 HE2 HIS 14 6.401 7.278 5.453 109 H CYS 15 H CYS 15 10.795 3.113 1.267 110 HA CYS 15 HA CYS 15 13.549 3.986 1.123 111 HB2 CYS 15 HB2 CYS 15 12.900 1.616 1.607 112 HB3 CYS 15 HB3 CYS 15 12.286 1.494 -0.035 113 HG CYS 15 HG CYS 15 15.552 2.108 0.785 114 H CYS 16 H CYS 16 10.908 3.276 -1.120 115 HA CYS 16 HA CYS 16 12.504 4.073 -3.408 116 HB2 CYS 16 HB2 CYS 16 9.600 3.249 -3.229 117 HB3 CYS 16 HB3 CYS 16 10.473 3.553 -4.719 118 H SER 17 H SER 17 10.439 5.499 -1.168 119 HA SER 17 HA SER 17 9.206 7.369 -0.975 120 HB2 SER 17 HB2 SER 17 10.247 9.451 -1.819 121 HB3 SER 17 HB3 SER 17 11.372 8.420 -0.939 122 HG SER 17 HG SER 17 11.462 7.756 -3.524 123 H VAL 18 H VAL 18 8.036 5.732 -2.695 124 HA VAL 18 HA VAL 18 6.759 7.562 -4.584 125 HB VAL 18 HB VAL 18 6.649 5.835 -6.325 126 HG11 VAL 18 HG11 VAL 18 8.447 7.483 -6.433 127 HG12 VAL 18 HG12 VAL 18 8.964 5.927 -7.084 128 HG13 VAL 18 HG13 VAL 18 9.479 6.421 -5.471 129 HG21 VAL 18 HG21 VAL 18 8.112 3.851 -6.162 130 HG22 VAL 18 HG22 VAL 18 6.809 3.857 -4.975 131 HG23 VAL 18 HG23 VAL 18 8.447 4.278 -4.486 132 H GLU 19 H GLU 19 4.707 6.654 -5.389 133 HA GLU 19 HA GLU 19 3.222 5.498 -3.180 134 HB2 GLU 19 HB2 GLU 19 2.631 7.419 -5.007 135 HB3 GLU 19 HB3 GLU 19 1.873 6.027 -5.760 136 HG2 GLU 19 HG2 GLU 19 0.691 5.642 -3.608 137 HG3 GLU 19 HG3 GLU 19 1.343 7.171 -3.044 138 H ILE 20 H ILE 20 2.595 3.407 -3.091 139 HA ILE 20 HA ILE 20 2.978 1.729 -5.491 140 HB ILE 20 HB ILE 20 3.922 -0.051 -4.021 141 HG12 ILE 20 HG12 ILE 20 4.806 1.803 -1.958 142 HG13 ILE 20 HG13 ILE 20 3.062 1.579 -1.963 143 HG21 ILE 20 HG21 ILE 20 5.482 2.517 -4.168 144 HG22 ILE 20 HG22 ILE 20 5.410 1.252 -5.395 145 HG23 ILE 20 HG23 ILE 20 6.173 0.929 -3.838 146 HD11 ILE 20 HD11 ILE 20 3.424 -0.856 -1.823 147 HD12 ILE 20 HD12 ILE 20 4.080 0.031 -0.446 148 HD13 ILE 20 HD13 ILE 20 5.160 -0.558 -1.710 149 H VAL 21 H VAL 21 2.008 -0.376 -5.319 150 HA VAL 21 HA VAL 21 -0.187 -0.554 -3.368 151 HB VAL 21 HB VAL 21 -1.180 -0.421 -5.530 152 HG11 VAL 21 HG11 VAL 21 0.707 -2.584 -6.445 153 HG12 VAL 21 HG12 VAL 21 0.816 -0.873 -6.862 154 HG13 VAL 21 HG13 VAL 21 -0.563 -1.831 -7.413 155 HG21 VAL 21 HG21 VAL 21 -2.260 -2.612 -5.783 156 HG22 VAL 21 HG22 VAL 21 -2.172 -2.105 -4.096 157 HG23 VAL 21 HG23 VAL 21 -1.051 -3.319 -4.711 158 HA PRO 22 HA PRO 22 2.852 -3.441 -1.861 159 HB2 PRO 22 HB2 PRO 22 0.865 -3.976 0.242 160 HB3 PRO 22 HB3 PRO 22 2.499 -3.339 0.376 161 HG2 PRO 22 HG2 PRO 22 0.358 -1.795 0.763 162 HG3 PRO 22 HG3 PRO 22 1.833 -1.172 0.004 163 HD2 PRO 22 HD2 PRO 22 -0.740 -2.014 -1.265 164 HD3 PRO 22 HD3 PRO 22 0.297 -0.620 -1.633 165 H ARG 23 H ARG 23 3.181 -5.610 -1.638 166 HA ARG 23 HA ARG 23 1.221 -7.458 -2.627 167 HB2 ARG 23 HB2 ARG 23 3.839 -7.960 -1.182 168 HB3 ARG 23 HB3 ARG 23 2.889 -9.171 -2.024 169 HG2 ARG 23 HG2 ARG 23 3.273 -8.028 -4.136 170 HG3 ARG 23 HG3 ARG 23 4.191 -6.776 -3.300 171 HD2 ARG 23 HD2 ARG 23 5.752 -8.562 -2.525 172 HD3 ARG 23 HD3 ARG 23 4.887 -9.694 -3.561 173 HE ARG 23 HE ARG 23 5.566 -7.660 -5.233 174 HH11 ARG 23 HH11 ARG 23 7.321 -9.799 -3.108 175 HH12 ARG 23 HH12 ARG 23 8.811 -9.686 -3.993 176 HH21 ARG 23 HH21 ARG 23 7.511 -7.520 -6.436 177 HH22 ARG 23 HH22 ARG 23 8.901 -8.419 -5.922 178 H LEU 24 H LEU 24 -0.536 -7.743 -1.383 179 HA LEU 24 HA LEU 24 -0.758 -6.728 1.165 180 HB2 LEU 24 HB2 LEU 24 -2.411 -8.053 -0.742 181 HB3 LEU 24 HB3 LEU 24 -2.787 -8.607 0.867 182 HG LEU 24 HG LEU 24 -4.113 -6.632 0.011 183 HD11 LEU 24 HD11 LEU 24 -4.056 -7.263 2.364 184 HD12 LEU 24 HD12 LEU 24 -4.122 -5.512 2.169 185 HD13 LEU 24 HD13 LEU 24 -2.599 -6.295 2.587 186 HD21 LEU 24 HD21 LEU 24 -1.586 -5.122 0.650 187 HD22 LEU 24 HD22 LEU 24 -3.118 -4.455 0.080 188 HD23 LEU 24 HD23 LEU 24 -2.150 -5.474 -0.983 189 HA PRO 25 HA PRO 25 -0.745 -11.359 2.909 190 HB2 PRO 25 HB2 PRO 25 1.429 -12.294 1.094 191 HB3 PRO 25 HB3 PRO 25 0.115 -13.216 1.835 192 HG2 PRO 25 HG2 PRO 25 -0.033 -12.557 -0.707 193 HG3 PRO 25 HG3 PRO 25 -1.465 -12.376 0.328 194 HD2 PRO 25 HD2 PRO 25 0.437 -10.285 -0.659 195 HD3 PRO 25 HD3 PRO 25 -1.328 -10.226 -0.512 196 H ASP 26 H ASP 26 2.158 -9.756 1.617 197 HA ASP 26 HA ASP 26 3.486 -10.258 4.199 198 HB2 ASP 26 HB2 ASP 26 4.593 -9.716 1.455 199 HB3 ASP 26 HB3 ASP 26 5.581 -9.535 2.899 200 H TYR 27 H TYR 27 1.945 -7.899 2.440 201 HA TYR 27 HA TYR 27 1.751 -5.653 2.508 202 HB2 TYR 27 HB2 TYR 27 2.350 -6.426 5.301 203 HB3 TYR 27 HB3 TYR 27 2.508 -4.720 4.912 204 HD1 TYR 27 HD1 TYR 27 0.368 -4.083 3.158 205 HD2 TYR 27 HD2 TYR 27 0.375 -6.824 6.413 206 HE1 TYR 27 HE1 TYR 27 -2.051 -3.763 3.425 207 HE2 TYR 27 HE2 TYR 27 -2.049 -6.519 6.680 208 HH TYR 27 HH TYR 27 -3.990 -5.070 4.372 209 H ILE 28 H ILE 28 4.117 -6.486 1.295 210 HA ILE 28 HA ILE 28 6.039 -4.477 2.249 211 HB ILE 28 HB ILE 28 7.703 -5.734 0.799 212 HG12 ILE 28 HG12 ILE 28 5.648 -7.939 1.046 213 HG13 ILE 28 HG13 ILE 28 5.969 -7.054 -0.438 214 HG21 ILE 28 HG21 ILE 28 8.157 -7.380 2.552 215 HG22 ILE 28 HG22 ILE 28 6.553 -7.096 3.226 216 HG23 ILE 28 HG23 ILE 28 7.749 -5.799 3.219 217 HD11 ILE 28 HD11 ILE 28 8.270 -7.882 -0.423 218 HD12 ILE 28 HD12 ILE 28 7.094 -9.198 -0.431 219 HD13 ILE 28 HD13 ILE 28 7.930 -8.772 1.061 220 H CYS 29 H CYS 29 7.612 -4.113 0.189 221 HA CYS 29 HA CYS 29 5.997 -2.463 -1.571 222 HB2 CYS 29 HB2 CYS 29 8.041 -1.631 -0.397 223 HB3 CYS 29 HB3 CYS 29 8.995 -2.784 -1.302 224 HA PRO 30 HA PRO 30 6.494 -5.450 -4.848 225 HB2 PRO 30 HB2 PRO 30 5.501 -4.022 -6.895 226 HB3 PRO 30 HB3 PRO 30 4.459 -4.614 -5.596 227 HG2 PRO 30 HG2 PRO 30 5.536 -1.876 -6.064 228 HG3 PRO 30 HG3 PRO 30 3.956 -2.366 -5.434 229 HD2 PRO 30 HD2 PRO 30 6.118 -1.511 -3.909 230 HD3 PRO 30 HD3 PRO 30 4.722 -2.427 -3.292 231 H ARG 31 H ARG 31 8.036 -2.472 -4.551 232 HA ARG 31 HA ARG 31 9.690 -2.798 -6.919 233 HB2 ARG 31 HB2 ARG 31 9.946 -0.571 -4.938 234 HB3 ARG 31 HB3 ARG 31 10.270 -0.558 -6.662 235 HG2 ARG 31 HG2 ARG 31 7.720 -0.989 -6.853 236 HG3 ARG 31 HG3 ARG 31 7.681 -0.373 -5.214 237 HD2 ARG 31 HD2 ARG 31 7.280 1.348 -6.931 238 HD3 ARG 31 HD3 ARG 31 8.651 1.691 -5.886 239 HE ARG 31 HE ARG 31 9.762 0.440 -8.031 240 HH11 ARG 31 HH11 ARG 31 7.596 3.173 -7.737 241 HH12 ARG 31 HH12 ARG 31 8.295 4.035 -9.068 242 HH21 ARG 31 HH21 ARG 31 10.671 1.563 -9.801 243 HH22 ARG 31 HH22 ARG 31 10.042 3.116 -10.244 244 H CYS 32 H CYS 32 10.077 -2.522 -3.357 245 HA CYS 32 HA CYS 32 12.798 -3.562 -3.761 246 HB2 CYS 32 HB2 CYS 32 13.671 -2.133 -2.032 247 HB3 CYS 32 HB3 CYS 32 12.832 -1.145 -3.219 248 H GLU 33 H GLU 33 9.866 -4.195 -2.373 249 HA GLU 33 HA GLU 33 9.090 -5.700 -0.850 250 HB2 GLU 33 HB2 GLU 33 11.808 -6.973 -1.192 251 HB3 GLU 33 HB3 GLU 33 10.352 -7.764 -0.617 252 HG2 GLU 33 HG2 GLU 33 9.313 -7.529 -2.774 253 HG3 GLU 33 HG3 GLU 33 10.682 -6.590 -3.368 254 H SER 34 H SER 34 10.035 -3.422 0.332 255 HA SER 34 HA SER 34 11.917 -4.106 2.420 256 HB2 SER 34 HB2 SER 34 12.379 -2.001 1.519 257 HB3 SER 34 HB3 SER 34 10.677 -1.552 1.444 258 HG SER 34 HG SER 34 12.471 -1.425 3.562 259 H GLY 35 H GLY 35 8.651 -2.671 2.332 260 HA2 GLY 35 HA2 GLY 35 6.940 -3.487 3.845 261 HA3 GLY 35 HA3 GLY 35 8.222 -3.776 5.009 262 H PHE 36 H PHE 36 9.519 -1.212 4.226 263 HA PHE 36 HA PHE 36 8.221 0.514 6.085 264 HB2 PHE 36 HB2 PHE 36 10.510 0.896 4.163 265 HB3 PHE 36 HB3 PHE 36 9.904 2.207 5.163 266 HD1 PHE 36 HD1 PHE 36 10.693 -1.394 5.778 267 HD2 PHE 36 HD2 PHE 36 11.281 2.664 6.896 268 HE1 PHE 36 HE1 PHE 36 12.157 -2.122 7.616 269 HE2 PHE 36 HE2 PHE 36 12.742 1.948 8.741 270 HZ PHE 36 HZ PHE 36 13.184 -0.447 9.102 271 H ILE 37 H ILE 37 6.094 0.630 5.142 272 HA ILE 37 HA ILE 37 5.925 2.610 2.988 273 HB ILE 37 HB ILE 37 3.995 1.388 2.027 274 HG12 ILE 37 HG12 ILE 37 4.807 -0.709 4.038 275 HG13 ILE 37 HG13 ILE 37 3.244 0.052 3.856 276 HG21 ILE 37 HG21 ILE 37 6.063 1.177 0.904 277 HG22 ILE 37 HG22 ILE 37 5.375 -0.448 0.989 278 HG23 ILE 37 HG23 ILE 37 6.670 0.022 2.091 279 HD11 ILE 37 HD11 ILE 37 2.907 -1.089 1.742 280 HD12 ILE 37 HD12 ILE 37 3.236 -2.239 3.036 281 HD13 ILE 37 HD13 ILE 37 4.500 -1.831 1.877 282 H GLU 38 H GLU 38 4.005 3.844 2.973 283 HA GLU 38 HA GLU 38 2.652 3.900 5.582 284 HB2 GLU 38 HB2 GLU 38 3.475 6.082 3.713 285 HB3 GLU 38 HB3 GLU 38 2.185 6.340 4.886 286 HG2 GLU 38 HG2 GLU 38 5.037 5.581 5.467 287 HG3 GLU 38 HG3 GLU 38 4.260 7.128 5.781 288 H GLU 39 H GLU 39 0.574 3.535 5.641 289 HA GLU 39 HA GLU 39 -0.930 3.056 3.247 290 HB2 GLU 39 HB2 GLU 39 -1.054 1.830 5.499 291 HB3 GLU 39 HB3 GLU 39 -1.996 3.194 6.068 292 HG2 GLU 39 HG2 GLU 39 -2.782 1.622 3.643 293 HG3 GLU 39 HG3 GLU 39 -3.232 1.116 5.267 294 H LEU 40 H LEU 40 -1.456 4.776 2.084 295 HA LEU 40 HA LEU 40 -1.801 7.376 3.233 296 HB2 LEU 40 HB2 LEU 40 -2.263 6.419 0.420 297 HB3 LEU 40 HB3 LEU 40 -2.179 8.094 0.923 298 HG LEU 40 HG LEU 40 0.100 6.120 1.060 299 HD11 LEU 40 HD11 LEU 40 -0.425 6.629 -1.222 300 HD12 LEU 40 HD12 LEU 40 1.054 7.469 -0.756 301 HD13 LEU 40 HD13 LEU 40 -0.467 8.355 -0.864 302 HD21 LEU 40 HD21 LEU 40 1.470 8.107 1.528 303 HD22 LEU 40 HD22 LEU 40 0.275 7.810 2.791 304 HD23 LEU 40 HD23 LEU 40 0.003 9.083 1.602 Start of MODEL 16 1 H1 GLY -1 H1 GLY -1 -9.710 5.548 10.104 2 H2 GLY -1 H2 GLY -1 -10.358 5.797 11.644 3 H3 GLY -1 H3 GLY -1 -11.324 5.157 10.414 4 HA2 GLY -1 HA3 GLY -1 -8.954 3.829 11.601 5 HA3 GLY -1 HA2 GLY -1 -10.628 3.438 11.973 6 H SER 0 H SER 0 -8.331 1.943 10.662 7 HA SER 0 HA SER 0 -8.940 1.570 7.932 8 HB2 SER 0 HB2 SER 0 -7.602 -0.396 9.802 9 HB3 SER 0 HB3 SER 0 -7.445 -0.326 8.048 10 HG SER 0 HG SER 0 -6.426 1.694 8.277 11 H MET 1 H MET 1 -9.780 -0.351 10.815 12 HA MET 1 HA MET 1 -11.818 -1.716 9.183 13 HB2 MET 1 HB2 MET 1 -10.243 -2.651 11.572 14 HB3 MET 1 HB3 MET 1 -11.748 -3.429 11.112 15 HG2 MET 1 HG2 MET 1 -9.960 -4.695 10.203 16 HG3 MET 1 HG3 MET 1 -10.768 -3.871 8.874 17 HE1 MET 1 HE1 MET 1 -8.164 -2.462 11.506 18 HE2 MET 1 HE2 MET 1 -6.662 -2.655 10.604 19 HE3 MET 1 HE3 MET 1 -7.570 -4.075 11.119 20 H ALA 2 H ALA 2 -13.312 -0.018 9.489 21 HA ALA 2 HA ALA 2 -14.886 -0.314 11.880 22 HB1 ALA 2 HB1 ALA 2 -13.673 2.383 11.279 23 HB2 ALA 2 HB2 ALA 2 -13.218 1.330 12.619 24 HB3 ALA 2 HB3 ALA 2 -14.839 2.023 12.552 25 H GLU 3 H GLU 3 -15.816 -1.092 9.640 26 HA GLU 3 HA GLU 3 -17.610 -0.959 8.253 27 HB2 GLU 3 HB2 GLU 3 -18.800 0.296 9.973 28 HB3 GLU 3 HB3 GLU 3 -18.018 1.783 9.458 29 HG2 GLU 3 HG2 GLU 3 -19.140 1.632 7.305 30 HG3 GLU 3 HG3 GLU 3 -19.940 0.148 7.821 31 H ALA 4 H ALA 4 -16.241 2.330 8.318 32 HA ALA 4 HA ALA 4 -16.224 2.459 5.434 33 HB1 ALA 4 HB1 ALA 4 -16.712 4.460 6.738 34 HB2 ALA 4 HB2 ALA 4 -15.261 4.690 5.766 35 HB3 ALA 4 HB3 ALA 4 -15.123 4.371 7.494 36 H SER 5 H SER 5 -13.953 3.634 4.711 37 HA SER 5 HA SER 5 -11.823 3.262 4.056 38 HB2 SER 5 HB2 SER 5 -11.512 1.875 6.731 39 HB3 SER 5 HB3 SER 5 -10.204 2.450 5.697 40 HG SER 5 HG SER 5 -11.567 3.797 7.545 41 HA PRO 6 HA PRO 6 -12.838 -0.885 2.514 42 HB2 PRO 6 HB2 PRO 6 -12.096 -0.424 -0.037 43 HB3 PRO 6 HB3 PRO 6 -13.657 0.097 0.606 44 HG2 PRO 6 HG2 PRO 6 -11.159 1.679 0.181 45 HG3 PRO 6 HG3 PRO 6 -12.843 2.135 -0.135 46 HD2 PRO 6 HD2 PRO 6 -11.455 2.920 2.078 47 HD3 PRO 6 HD3 PRO 6 -13.217 2.736 2.045 48 H HIS 7 H HIS 7 -11.308 -2.045 0.591 49 HA HIS 7 HA HIS 7 -9.090 -2.977 1.967 50 HB2 HIS 7 HB2 HIS 7 -8.390 -4.025 -0.143 51 HB3 HIS 7 HB3 HIS 7 -10.099 -4.248 0.154 52 HD1 HIS 7 HD1 HIS 7 -11.748 -3.167 -1.512 53 HD2 HIS 7 HD2 HIS 7 -7.748 -2.428 -2.374 54 HE1 HIS 7 HE1 HIS 7 -11.722 -2.214 -3.835 55 HE2 HIS 7 HE2 HIS 7 -9.287 -1.882 -4.380 56 HA PRO 8 HA PRO 8 -6.140 0.334 1.436 57 HB2 PRO 8 HB2 PRO 8 -4.159 -1.697 2.224 58 HB3 PRO 8 HB3 PRO 8 -4.580 -0.177 3.018 59 HG2 PRO 8 HG2 PRO 8 -5.261 -2.555 4.064 60 HG3 PRO 8 HG3 PRO 8 -6.304 -1.129 4.219 61 HD2 PRO 8 HD2 PRO 8 -6.545 -3.461 2.356 62 HD3 PRO 8 HD3 PRO 8 -7.810 -2.593 3.253 63 H GLY 9 H GLY 9 -4.828 0.946 -0.225 64 HA2 GLY 9 HA2 GLY 9 -3.606 -1.101 -1.905 65 HA3 GLY 9 HA3 GLY 9 -4.801 -0.064 -2.668 66 H ARG 10 H ARG 10 -4.326 2.359 -1.724 67 HA ARG 10 HA ARG 10 -1.854 3.107 -2.936 68 HB2 ARG 10 HB2 ARG 10 -2.513 5.416 -2.155 69 HB3 ARG 10 HB3 ARG 10 -3.660 4.620 -3.219 70 HG2 ARG 10 HG2 ARG 10 -5.200 4.294 -1.543 71 HG3 ARG 10 HG3 ARG 10 -3.994 4.418 -0.262 72 HD2 ARG 10 HD2 ARG 10 -4.832 6.489 -0.024 73 HD3 ARG 10 HD3 ARG 10 -3.785 6.846 -1.393 74 HE ARG 10 HE ARG 10 -6.019 6.165 -2.654 75 HH11 ARG 10 HH11 ARG 10 -5.517 8.193 0.146 76 HH12 ARG 10 HH12 ARG 10 -6.836 9.261 -0.217 77 HH21 ARG 10 HH21 ARG 10 -7.794 7.560 -3.138 78 HH22 ARG 10 HH22 ARG 10 -8.137 8.893 -2.081 79 H TYR 11 H TYR 11 -0.028 2.629 -1.918 80 HA TYR 11 HA TYR 11 0.272 3.582 0.855 81 HB2 TYR 11 HB2 TYR 11 1.284 1.100 -0.460 82 HB3 TYR 11 HB3 TYR 11 2.297 1.880 0.744 83 HD1 TYR 11 HD2 TYR 11 -1.219 0.672 0.301 84 HD2 TYR 11 HD1 TYR 11 2.054 1.309 2.944 85 HE1 TYR 11 HE2 TYR 11 -2.462 -0.442 2.114 86 HE2 TYR 11 HE1 TYR 11 0.832 0.203 4.752 87 HH TYR 11 HH TYR 11 -1.989 -1.616 4.237 88 H PHE 12 H PHE 12 2.560 4.153 1.364 89 HA PHE 12 HA PHE 12 4.000 5.123 -1.001 90 HB2 PHE 12 HB2 PHE 12 2.690 6.897 0.315 91 HB3 PHE 12 HB3 PHE 12 3.897 6.670 1.579 92 HD1 PHE 12 HD1 PHE 12 3.257 7.850 -1.800 93 HD2 PHE 12 HD2 PHE 12 6.156 7.434 1.282 94 HE1 PHE 12 HE1 PHE 12 4.748 9.404 -2.999 95 HE2 PHE 12 HE2 PHE 12 7.662 8.989 0.089 96 HZ PHE 12 HZ PHE 12 6.948 9.977 -2.051 97 H CYS 13 H CYS 13 5.832 4.027 -1.076 98 HA CYS 13 HA CYS 13 6.950 2.786 1.262 99 HB2 CYS 13 HB2 CYS 13 7.111 1.579 -0.804 100 HB3 CYS 13 HB3 CYS 13 7.869 2.945 -1.608 101 H HIS 14 H HIS 14 8.660 3.401 2.445 102 HA HIS 14 HA HIS 14 9.637 6.105 2.100 103 HB2 HIS 14 HB2 HIS 14 9.746 4.045 4.236 104 HB3 HIS 14 HB3 HIS 14 11.069 5.210 4.187 105 HD1 HIS 14 HD1 HIS 14 10.651 7.151 5.626 106 HD2 HIS 14 HD2 HIS 14 7.122 5.609 4.066 107 HE1 HIS 14 HE1 HIS 14 8.813 8.582 6.573 108 HE2 HIS 14 HE2 HIS 14 6.716 7.769 5.430 109 H CYS 15 H CYS 15 10.724 2.882 1.491 110 HA CYS 15 HA CYS 15 13.508 3.529 1.289 111 HB2 CYS 15 HB2 CYS 15 12.567 1.250 1.811 112 HB3 CYS 15 HB3 CYS 15 12.061 1.141 0.133 113 HG CYS 15 HG CYS 15 15.334 1.717 0.839 114 H CYS 16 H CYS 16 10.804 3.224 -0.928 115 HA CYS 16 HA CYS 16 12.520 3.902 -3.204 116 HB2 CYS 16 HB2 CYS 16 9.584 3.183 -3.132 117 HB3 CYS 16 HB3 CYS 16 10.523 3.476 -4.581 118 H SER 17 H SER 17 10.498 5.340 -0.961 119 HA SER 17 HA SER 17 9.324 7.238 -0.712 120 HB2 SER 17 HB2 SER 17 10.409 9.317 -1.582 121 HB3 SER 17 HB3 SER 17 11.478 8.270 -0.654 122 HG SER 17 HG SER 17 11.564 7.620 -3.275 123 H VAL 18 H VAL 18 8.192 5.608 -2.602 124 HA VAL 18 HA VAL 18 6.849 7.580 -4.302 125 HB VAL 18 HB VAL 18 6.738 6.053 -6.189 126 HG11 VAL 18 HG11 VAL 18 9.590 6.400 -5.284 127 HG12 VAL 18 HG12 VAL 18 8.613 7.623 -6.099 128 HG13 VAL 18 HG13 VAL 18 9.044 6.134 -6.941 129 HG21 VAL 18 HG21 VAL 18 8.068 3.990 -6.235 130 HG22 VAL 18 HG22 VAL 18 6.803 3.946 -5.007 131 HG23 VAL 18 HG23 VAL 18 8.478 4.234 -4.538 132 H GLU 19 H GLU 19 4.797 6.726 -5.163 133 HA GLU 19 HA GLU 19 3.320 5.443 -3.034 134 HB2 GLU 19 HB2 GLU 19 2.502 7.452 -4.293 135 HB3 GLU 19 HB3 GLU 19 2.341 6.437 -5.718 136 HG2 GLU 19 HG2 GLU 19 0.984 5.339 -3.399 137 HG3 GLU 19 HG3 GLU 19 0.401 6.941 -3.840 138 H ILE 20 H ILE 20 2.509 3.417 -3.045 139 HA ILE 20 HA ILE 20 2.970 1.712 -5.402 140 HB ILE 20 HB ILE 20 3.924 -0.047 -3.933 141 HG12 ILE 20 HG12 ILE 20 4.736 1.790 -1.829 142 HG13 ILE 20 HG13 ILE 20 2.995 1.565 -1.888 143 HG21 ILE 20 HG21 ILE 20 5.476 2.532 -3.976 144 HG22 ILE 20 HG22 ILE 20 5.410 1.330 -5.265 145 HG23 ILE 20 HG23 ILE 20 6.158 0.926 -3.720 146 HD11 ILE 20 HD11 ILE 20 3.952 -0.000 -0.356 147 HD12 ILE 20 HD12 ILE 20 5.087 -0.571 -1.580 148 HD13 ILE 20 HD13 ILE 20 3.359 -0.874 -1.769 149 H VAL 21 H VAL 21 1.983 -0.402 -5.190 150 HA VAL 21 HA VAL 21 -0.192 -0.546 -3.218 151 HB VAL 21 HB VAL 21 -1.206 -0.484 -5.371 152 HG11 VAL 21 HG11 VAL 21 0.718 -2.628 -6.243 153 HG12 VAL 21 HG12 VAL 21 0.777 -0.929 -6.710 154 HG13 VAL 21 HG13 VAL 21 -0.580 -1.939 -7.219 155 HG21 VAL 21 HG21 VAL 21 -2.178 -2.137 -3.905 156 HG22 VAL 21 HG22 VAL 21 -1.024 -3.348 -4.460 157 HG23 VAL 21 HG23 VAL 21 -2.237 -2.713 -5.571 158 HA PRO 22 HA PRO 22 2.825 -3.419 -1.644 159 HB2 PRO 22 HB2 PRO 22 0.798 -3.968 0.418 160 HB3 PRO 22 HB3 PRO 22 2.434 -3.333 0.588 161 HG2 PRO 22 HG2 PRO 22 0.301 -1.777 0.941 162 HG3 PRO 22 HG3 PRO 22 1.778 -1.162 0.179 163 HD2 PRO 22 HD2 PRO 22 -0.786 -2.036 -1.097 164 HD3 PRO 22 HD3 PRO 22 0.231 -0.625 -1.459 165 H ARG 23 H ARG 23 3.206 -5.558 -1.646 166 HA ARG 23 HA ARG 23 1.234 -7.362 -2.698 167 HB2 ARG 23 HB2 ARG 23 4.003 -7.830 -1.563 168 HB3 ARG 23 HB3 ARG 23 3.028 -9.065 -2.344 169 HG2 ARG 23 HG2 ARG 23 3.073 -7.809 -4.426 170 HG3 ARG 23 HG3 ARG 23 4.001 -6.530 -3.646 171 HD2 ARG 23 HD2 ARG 23 5.817 -8.128 -3.232 172 HD3 ARG 23 HD3 ARG 23 4.887 -9.385 -4.045 173 HE ARG 23 HE ARG 23 5.040 -7.354 -5.866 174 HH11 ARG 23 HH11 ARG 23 7.389 -9.269 -4.107 175 HH12 ARG 23 HH12 ARG 23 8.603 -9.131 -5.340 176 HH21 ARG 23 HH21 ARG 23 6.619 -7.173 -7.474 177 HH22 ARG 23 HH22 ARG 23 8.166 -7.931 -7.260 178 H LEU 24 H LEU 24 -0.419 -7.879 -1.374 179 HA LEU 24 HA LEU 24 -0.436 -7.148 1.288 180 HB2 LEU 24 HB2 LEU 24 -2.269 -8.166 -0.614 181 HB3 LEU 24 HB3 LEU 24 -2.498 -9.004 0.899 182 HG LEU 24 HG LEU 24 -3.938 -7.027 0.696 183 HD11 LEU 24 HD11 LEU 24 -1.841 -6.779 2.836 184 HD12 LEU 24 HD12 LEU 24 -3.276 -7.800 2.906 185 HD13 LEU 24 HD13 LEU 24 -3.443 -6.045 2.867 186 HD21 LEU 24 HD21 LEU 24 -1.370 -5.457 0.751 187 HD22 LEU 24 HD22 LEU 24 -3.008 -4.798 0.745 188 HD23 LEU 24 HD23 LEU 24 -2.403 -5.670 -0.663 189 HA PRO 25 HA PRO 25 -0.271 -11.971 2.425 190 HB2 PRO 25 HB2 PRO 25 1.885 -12.578 0.456 191 HB3 PRO 25 HB3 PRO 25 0.622 -13.635 1.093 192 HG2 PRO 25 HG2 PRO 25 0.400 -12.652 -1.343 193 HG3 PRO 25 HG3 PRO 25 -1.017 -12.685 -0.273 194 HD2 PRO 25 HD2 PRO 25 0.749 -10.385 -1.006 195 HD3 PRO 25 HD3 PRO 25 -1.008 -10.439 -0.803 196 H ASP 26 H ASP 26 2.496 -10.091 1.251 197 HA ASP 26 HA ASP 26 3.944 -10.755 3.730 198 HB2 ASP 26 HB2 ASP 26 4.904 -9.676 1.082 199 HB3 ASP 26 HB3 ASP 26 5.917 -9.695 2.519 200 H TYR 27 H TYR 27 2.168 -8.389 2.210 201 HA TYR 27 HA TYR 27 1.683 -6.217 2.515 202 HB2 TYR 27 HB2 TYR 27 1.792 -7.348 5.047 203 HB3 TYR 27 HB3 TYR 27 2.765 -5.889 5.199 204 HD1 TYR 27 HD1 TYR 27 0.990 -4.507 2.902 205 HD2 TYR 27 HD2 TYR 27 0.166 -6.386 6.632 206 HE1 TYR 27 HE1 TYR 27 -1.063 -3.178 3.113 207 HE2 TYR 27 HE2 TYR 27 -1.892 -5.059 6.848 208 HH TYR 27 HH TYR 27 -2.824 -2.938 6.001 209 H ILE 28 H ILE 28 4.100 -6.660 1.233 210 HA ILE 28 HA ILE 28 5.841 -4.577 2.365 211 HB ILE 28 HB ILE 28 7.673 -5.657 1.032 212 HG12 ILE 28 HG12 ILE 28 5.633 -7.875 0.793 213 HG13 ILE 28 HG13 ILE 28 6.278 -6.917 -0.532 214 HG21 ILE 28 HG21 ILE 28 8.074 -7.424 2.662 215 HG22 ILE 28 HG22 ILE 28 6.392 -7.327 3.186 216 HG23 ILE 28 HG23 ILE 28 7.475 -5.957 3.436 217 HD11 ILE 28 HD11 ILE 28 8.493 -7.839 -0.112 218 HD12 ILE 28 HD12 ILE 28 7.314 -9.105 -0.441 219 HD13 ILE 28 HD13 ILE 28 7.843 -8.800 1.212 220 H CYS 29 H CYS 29 7.494 -4.174 0.288 221 HA CYS 29 HA CYS 29 5.866 -2.512 -1.445 222 HB2 CYS 29 HB2 CYS 29 7.914 -1.686 -0.284 223 HB3 CYS 29 HB3 CYS 29 8.864 -2.837 -1.195 224 HA PRO 30 HA PRO 30 6.328 -5.434 -4.788 225 HB2 PRO 30 HB2 PRO 30 5.372 -3.945 -6.807 226 HB3 PRO 30 HB3 PRO 30 4.315 -4.533 -5.519 227 HG2 PRO 30 HG2 PRO 30 5.462 -1.815 -5.942 228 HG3 PRO 30 HG3 PRO 30 3.870 -2.276 -5.320 229 HD2 PRO 30 HD2 PRO 30 6.054 -1.504 -3.781 230 HD3 PRO 30 HD3 PRO 30 4.633 -2.391 -3.181 231 H ARG 31 H ARG 31 8.024 -2.584 -4.373 232 HA ARG 31 HA ARG 31 9.635 -2.901 -6.787 233 HB2 ARG 31 HB2 ARG 31 10.019 -0.673 -4.850 234 HB3 ARG 31 HB3 ARG 31 10.186 -0.673 -6.594 235 HG2 ARG 31 HG2 ARG 31 7.682 -0.916 -6.688 236 HG3 ARG 31 HG3 ARG 31 7.675 -0.583 -4.969 237 HD2 ARG 31 HD2 ARG 31 7.255 1.410 -6.357 238 HD3 ARG 31 HD3 ARG 31 8.659 1.558 -5.310 239 HE ARG 31 HE ARG 31 9.990 0.984 -7.366 240 HH11 ARG 31 HH11 ARG 31 6.829 2.465 -7.638 241 HH12 ARG 31 HH12 ARG 31 7.224 3.327 -9.087 242 HH21 ARG 31 HH21 ARG 31 10.501 2.103 -9.284 243 HH22 ARG 31 HH22 ARG 31 9.308 3.120 -10.028 244 H CYS 32 H CYS 32 10.008 -2.585 -3.231 245 HA CYS 32 HA CYS 32 12.741 -3.608 -3.608 246 HB2 CYS 32 HB2 CYS 32 13.537 -2.215 -1.801 247 HB3 CYS 32 HB3 CYS 32 12.741 -1.215 -3.008 248 H GLU 33 H GLU 33 9.777 -4.238 -2.210 249 HA GLU 33 HA GLU 33 8.998 -5.768 -0.722 250 HB2 GLU 33 HB2 GLU 33 11.688 -6.997 -1.332 251 HB3 GLU 33 HB3 GLU 33 10.426 -7.810 -0.422 252 HG2 GLU 33 HG2 GLU 33 8.932 -7.612 -2.371 253 HG3 GLU 33 HG3 GLU 33 10.255 -6.878 -3.276 254 H SER 34 H SER 34 10.119 -3.495 0.449 255 HA SER 34 HA SER 34 11.886 -4.328 2.576 256 HB2 SER 34 HB2 SER 34 12.493 -2.240 1.724 257 HB3 SER 34 HB3 SER 34 10.822 -1.689 1.621 258 HG SER 34 HG SER 34 12.573 -1.712 3.783 259 H GLY 35 H GLY 35 8.714 -2.689 2.452 260 HA2 GLY 35 HA2 GLY 35 6.935 -3.500 3.922 261 HA3 GLY 35 HA3 GLY 35 8.188 -3.784 5.119 262 H PHE 36 H PHE 36 9.526 -1.244 4.291 263 HA PHE 36 HA PHE 36 8.241 0.566 6.064 264 HB2 PHE 36 HB2 PHE 36 10.538 0.763 4.148 265 HB3 PHE 36 HB3 PHE 36 9.905 2.210 4.920 266 HD1 PHE 36 HD1 PHE 36 11.555 -1.027 5.520 267 HD2 PHE 36 HD2 PHE 36 10.306 2.678 7.177 268 HE1 PHE 36 HE1 PHE 36 12.922 -1.468 7.518 269 HE2 PHE 36 HE2 PHE 36 11.668 2.249 9.186 270 HZ PHE 36 HZ PHE 36 12.979 0.172 9.355 271 H ILE 37 H ILE 37 6.092 0.678 5.185 272 HA ILE 37 HA ILE 37 5.884 2.597 2.982 273 HB ILE 37 HB ILE 37 3.925 1.378 2.093 274 HG12 ILE 37 HG12 ILE 37 4.740 -0.659 4.158 275 HG13 ILE 37 HG13 ILE 37 3.176 0.093 3.949 276 HG21 ILE 37 HG21 ILE 37 5.985 1.118 0.954 277 HG22 ILE 37 HG22 ILE 37 5.238 -0.479 1.050 278 HG23 ILE 37 HG23 ILE 37 6.563 -0.056 2.136 279 HD11 ILE 37 HD11 ILE 37 2.858 -1.125 1.868 280 HD12 ILE 37 HD12 ILE 37 3.147 -2.217 3.221 281 HD13 ILE 37 HD13 ILE 37 4.438 -1.882 2.066 282 H GLU 38 H GLU 38 4.011 3.886 3.010 283 HA GLU 38 HA GLU 38 2.638 3.925 5.610 284 HB2 GLU 38 HB2 GLU 38 3.355 6.192 3.764 285 HB3 GLU 38 HB3 GLU 38 2.290 6.371 5.155 286 HG2 GLU 38 HG2 GLU 38 4.188 5.468 6.552 287 HG3 GLU 38 HG3 GLU 38 5.204 5.662 5.126 288 H GLU 39 H GLU 39 0.525 3.677 5.641 289 HA GLU 39 HA GLU 39 -0.920 3.254 3.192 290 HB2 GLU 39 HB2 GLU 39 -1.146 1.949 5.381 291 HB3 GLU 39 HB3 GLU 39 -2.029 3.330 5.999 292 HG2 GLU 39 HG2 GLU 39 -2.882 1.942 3.492 293 HG3 GLU 39 HG3 GLU 39 -3.333 1.326 5.077 294 H LEU 40 H LEU 40 -1.801 4.845 2.078 295 HA LEU 40 HA LEU 40 -1.884 7.503 3.179 296 HB2 LEU 40 HB2 LEU 40 -2.632 6.484 0.451 297 HB3 LEU 40 HB3 LEU 40 -2.524 8.174 0.897 298 HG LEU 40 HG LEU 40 -0.221 6.217 0.844 299 HD11 LEU 40 HD11 LEU 40 -0.942 8.487 -0.991 300 HD12 LEU 40 HD12 LEU 40 -0.956 6.767 -1.378 301 HD13 LEU 40 HD13 LEU 40 0.569 7.579 -1.032 302 HD21 LEU 40 HD21 LEU 40 -0.296 9.168 1.450 303 HD22 LEU 40 HD22 LEU 40 1.170 8.219 1.206 304 HD23 LEU 40 HD23 LEU 40 0.113 7.872 2.575 Start of MODEL 17 1 H1 GLY -1 H1 GLY -1 -10.701 2.191 14.772 2 H2 GLY -1 H2 GLY -1 -12.330 1.927 15.127 3 H3 GLY -1 H3 GLY -1 -11.784 3.485 14.774 4 HA2 GLY -1 HA3 GLY -1 -11.254 2.830 12.519 5 HA3 GLY -1 HA2 GLY -1 -11.806 1.202 12.883 6 H SER 0 H SER 0 -12.685 3.863 11.298 7 HA SER 0 HA SER 0 -15.540 3.506 11.921 8 HB2 SER 0 HB2 SER 0 -14.128 6.011 10.971 9 HB3 SER 0 HB3 SER 0 -15.872 5.852 11.193 10 HG SER 0 HG SER 0 -15.485 5.435 13.403 11 H MET 1 H MET 1 -15.860 1.908 10.383 12 HA MET 1 HA MET 1 -15.642 2.811 7.590 13 HB2 MET 1 HB2 MET 1 -15.470 -0.032 8.608 14 HB3 MET 1 HB3 MET 1 -15.427 0.450 6.922 15 HG2 MET 1 HG2 MET 1 -13.207 0.058 7.441 16 HG3 MET 1 HG3 MET 1 -13.356 1.809 7.555 17 HE1 MET 1 HE1 MET 1 -13.106 -1.560 9.486 18 HE2 MET 1 HE2 MET 1 -14.580 -0.907 10.200 19 HE3 MET 1 HE3 MET 1 -13.117 -1.049 11.172 20 H ALA 2 H ALA 2 -17.521 2.969 6.533 21 HA ALA 2 HA ALA 2 -19.778 1.309 7.390 22 HB1 ALA 2 HB1 ALA 2 -19.984 4.297 7.046 23 HB2 ALA 2 HB2 ALA 2 -19.978 3.447 8.591 24 HB3 ALA 2 HB3 ALA 2 -21.298 3.192 7.450 25 H GLU 3 H GLU 3 -18.036 1.221 5.097 26 HA GLU 3 HA GLU 3 -19.788 2.056 2.921 27 HB2 GLU 3 HB2 GLU 3 -16.940 1.064 2.949 28 HB3 GLU 3 HB3 GLU 3 -17.853 1.285 1.467 29 HG2 GLU 3 HG2 GLU 3 -16.451 3.181 1.808 30 HG3 GLU 3 HG3 GLU 3 -18.125 3.672 2.033 31 H ALA 4 H ALA 4 -17.651 -0.732 2.978 32 HA ALA 4 HA ALA 4 -19.787 -2.638 3.243 33 HB1 ALA 4 HB1 ALA 4 -20.038 -2.022 0.880 34 HB2 ALA 4 HB2 ALA 4 -19.494 -3.691 1.061 35 HB3 ALA 4 HB3 ALA 4 -18.348 -2.434 0.597 36 H SER 5 H SER 5 -16.497 -2.187 2.007 37 HA SER 5 HA SER 5 -15.294 -3.653 4.106 38 HB2 SER 5 HB2 SER 5 -16.288 -5.536 2.757 39 HB3 SER 5 HB3 SER 5 -15.267 -5.041 1.409 40 HG SER 5 HG SER 5 -13.932 -5.404 3.802 41 HA PRO 6 HA PRO 6 -12.820 -0.479 1.724 42 HB2 PRO 6 HB2 PRO 6 -11.882 0.043 4.488 43 HB3 PRO 6 HB3 PRO 6 -12.420 1.181 3.248 44 HG2 PRO 6 HG2 PRO 6 -13.958 0.617 5.352 45 HG3 PRO 6 HG3 PRO 6 -14.661 0.863 3.741 46 HD2 PRO 6 HD2 PRO 6 -14.145 -1.690 5.218 47 HD3 PRO 6 HD3 PRO 6 -15.533 -1.232 4.208 48 H HIS 7 H HIS 7 -10.807 -0.840 0.982 49 HA HIS 7 HA HIS 7 -9.039 -2.565 2.555 50 HB2 HIS 7 HB2 HIS 7 -8.403 -3.816 0.537 51 HB3 HIS 7 HB3 HIS 7 -10.094 -4.025 0.928 52 HD1 HIS 7 HD1 HIS 7 -7.848 -3.015 -1.770 53 HD2 HIS 7 HD2 HIS 7 -11.868 -2.555 -0.833 54 HE1 HIS 7 HE1 HIS 7 -8.964 -2.316 -3.911 55 HE2 HIS 7 HE2 HIS 7 -11.419 -2.200 -3.353 56 HA PRO 8 HA PRO 8 -6.205 0.733 1.557 57 HB2 PRO 8 HB2 PRO 8 -4.155 -1.026 2.687 58 HB3 PRO 8 HB3 PRO 8 -4.716 0.545 3.263 59 HG2 PRO 8 HG2 PRO 8 -5.252 -1.755 4.570 60 HG3 PRO 8 HG3 PRO 8 -6.368 -0.377 4.567 61 HD2 PRO 8 HD2 PRO 8 -6.475 -2.912 2.979 62 HD3 PRO 8 HD3 PRO 8 -7.791 -2.007 3.759 63 H GLY 9 H GLY 9 -4.984 1.114 -0.202 64 HA2 GLY 9 HA2 GLY 9 -3.628 -1.143 -1.487 65 HA3 GLY 9 HA3 GLY 9 -4.775 -0.208 -2.435 66 H ARG 10 H ARG 10 -4.252 2.321 -1.488 67 HA ARG 10 HA ARG 10 -1.798 2.931 -2.839 68 HB2 ARG 10 HB2 ARG 10 -2.396 5.296 -2.234 69 HB3 ARG 10 HB3 ARG 10 -3.612 4.444 -3.174 70 HG2 ARG 10 HG2 ARG 10 -5.058 4.263 -1.385 71 HG3 ARG 10 HG3 ARG 10 -3.785 4.511 -0.193 72 HD2 ARG 10 HD2 ARG 10 -4.488 6.625 -0.111 73 HD3 ARG 10 HD3 ARG 10 -3.738 6.820 -1.691 74 HE ARG 10 HE ARG 10 -5.974 6.209 -2.623 75 HH11 ARG 10 HH11 ARG 10 -5.687 7.532 0.610 76 HH12 ARG 10 HH12 ARG 10 -7.259 8.276 0.575 77 HH21 ARG 10 HH21 ARG 10 -8.040 7.172 -2.662 78 HH22 ARG 10 HH22 ARG 10 -8.598 8.072 -1.290 79 H TYR 11 H TYR 11 0.069 2.647 -1.861 80 HA TYR 11 HA TYR 11 0.358 3.648 0.895 81 HB2 TYR 11 HB2 TYR 11 1.439 1.176 -0.391 82 HB3 TYR 11 HB3 TYR 11 2.395 1.982 0.845 83 HD1 TYR 11 HD1 TYR 11 -1.104 0.745 0.314 84 HD2 TYR 11 HD2 TYR 11 2.131 1.325 3.013 85 HE1 TYR 11 HE1 TYR 11 -2.353 -0.444 2.069 86 HE2 TYR 11 HE2 TYR 11 0.902 0.145 4.769 87 HH TYR 11 HH TYR 11 -1.825 -1.732 4.153 88 H PHE 12 H PHE 12 2.598 4.341 1.381 89 HA PHE 12 HA PHE 12 4.053 5.215 -1.018 90 HB2 PHE 12 HB2 PHE 12 2.731 7.026 0.256 91 HB3 PHE 12 HB3 PHE 12 3.968 6.864 1.496 92 HD1 PHE 12 HD2 PHE 12 3.279 7.833 -1.957 93 HD2 PHE 12 HD1 PHE 12 6.178 7.704 1.149 94 HE1 PHE 12 HE2 PHE 12 4.721 9.360 -3.245 95 HE2 PHE 12 HE1 PHE 12 7.636 9.225 -0.136 96 HZ PHE 12 HZ PHE 12 6.898 10.060 -2.333 97 H CYS 13 H CYS 13 5.887 4.140 -1.049 98 HA CYS 13 HA CYS 13 6.946 2.897 1.305 99 HB2 CYS 13 HB2 CYS 13 7.114 1.698 -0.764 100 HB3 CYS 13 HB3 CYS 13 7.925 3.048 -1.543 101 H HIS 14 H HIS 14 8.542 3.544 2.588 102 HA HIS 14 HA HIS 14 9.646 6.196 2.245 103 HB2 HIS 14 HB2 HIS 14 9.691 4.118 4.397 104 HB3 HIS 14 HB3 HIS 14 10.916 5.383 4.414 105 HD1 HIS 14 HD1 HIS 14 10.115 6.756 6.354 106 HD2 HIS 14 HD2 HIS 14 7.107 5.979 3.596 107 HE1 HIS 14 HE1 HIS 14 8.167 8.175 7.062 108 HE2 HIS 14 HE2 HIS 14 6.403 7.794 5.300 109 H CYS 15 H CYS 15 10.515 3.019 1.467 110 HA CYS 15 HA CYS 15 13.371 3.482 1.445 111 HB2 CYS 15 HB2 CYS 15 11.721 1.143 0.465 112 HB3 CYS 15 HB3 CYS 15 13.470 1.156 0.610 113 HG CYS 15 HG CYS 15 12.860 -0.280 2.770 114 H CYS 16 H CYS 16 10.698 3.449 -0.807 115 HA CYS 16 HA CYS 16 12.543 3.935 -3.048 116 HB2 CYS 16 HB2 CYS 16 9.602 3.236 -3.074 117 HB3 CYS 16 HB3 CYS 16 10.580 3.534 -4.502 118 H SER 17 H SER 17 10.443 5.465 -0.939 119 HA SER 17 HA SER 17 9.290 7.386 -0.810 120 HB2 SER 17 HB2 SER 17 10.416 9.411 -1.696 121 HB3 SER 17 HB3 SER 17 11.486 8.370 -0.766 122 HG SER 17 HG SER 17 11.606 7.618 -3.320 123 H VAL 18 H VAL 18 8.226 5.660 -2.669 124 HA VAL 18 HA VAL 18 6.930 7.572 -4.474 125 HB VAL 18 HB VAL 18 6.798 5.942 -6.276 126 HG11 VAL 18 HG11 VAL 18 9.150 5.883 -6.971 127 HG12 VAL 18 HG12 VAL 18 9.630 6.356 -5.340 128 HG13 VAL 18 HG13 VAL 18 8.676 7.458 -6.336 129 HG21 VAL 18 HG21 VAL 18 8.054 3.849 -6.214 130 HG22 VAL 18 HG22 VAL 18 6.826 3.906 -4.950 131 HG23 VAL 18 HG23 VAL 18 8.519 4.178 -4.547 132 H GLU 19 H GLU 19 4.863 6.739 -5.302 133 HA GLU 19 HA GLU 19 3.360 5.598 -3.103 134 HB2 GLU 19 HB2 GLU 19 2.741 7.585 -4.754 135 HB3 GLU 19 HB3 GLU 19 2.112 6.272 -5.733 136 HG2 GLU 19 HG2 GLU 19 0.810 5.573 -3.707 137 HG3 GLU 19 HG3 GLU 19 1.297 7.087 -2.970 138 H ILE 20 H ILE 20 2.636 3.545 -3.025 139 HA ILE 20 HA ILE 20 3.045 1.832 -5.389 140 HB ILE 20 HB ILE 20 3.991 0.074 -3.894 141 HG12 ILE 20 HG12 ILE 20 4.813 1.990 -1.844 142 HG13 ILE 20 HG13 ILE 20 3.082 1.682 -1.864 143 HG21 ILE 20 HG21 ILE 20 5.474 1.398 -5.275 144 HG22 ILE 20 HG22 ILE 20 6.236 1.039 -3.725 145 HG23 ILE 20 HG23 ILE 20 5.559 2.640 -4.027 146 HD11 ILE 20 HD11 ILE 20 3.566 -0.735 -1.716 147 HD12 ILE 20 HD12 ILE 20 4.138 0.190 -0.330 148 HD13 ILE 20 HD13 ILE 20 5.279 -0.345 -1.563 149 H VAL 21 H VAL 21 2.074 -0.277 -5.186 150 HA VAL 21 HA VAL 21 -0.076 -0.458 -3.188 151 HB VAL 21 HB VAL 21 -1.144 -0.404 -5.309 152 HG11 VAL 21 HG11 VAL 21 0.813 -0.770 -6.704 153 HG12 VAL 21 HG12 VAL 21 -0.514 -1.826 -7.190 154 HG13 VAL 21 HG13 VAL 21 0.831 -2.474 -6.250 155 HG21 VAL 21 HG21 VAL 21 -1.990 -2.136 -3.815 156 HG22 VAL 21 HG22 VAL 21 -0.861 -3.299 -4.513 157 HG23 VAL 21 HG23 VAL 21 -2.153 -2.621 -5.502 158 HA PRO 22 HA PRO 22 2.977 -3.314 -1.632 159 HB2 PRO 22 HB2 PRO 22 0.887 -3.896 0.367 160 HB3 PRO 22 HB3 PRO 22 2.530 -3.312 0.599 161 HG2 PRO 22 HG2 PRO 22 0.441 -1.706 0.942 162 HG3 PRO 22 HG3 PRO 22 1.947 -1.114 0.216 163 HD2 PRO 22 HD2 PRO 22 -0.621 -1.881 -1.112 164 HD3 PRO 22 HD3 PRO 22 0.450 -0.505 -1.443 165 H ARG 23 H ARG 23 3.363 -5.473 -1.575 166 HA ARG 23 HA ARG 23 1.459 -7.281 -2.737 167 HB2 ARG 23 HB2 ARG 23 4.133 -7.760 -1.393 168 HB3 ARG 23 HB3 ARG 23 3.183 -9.017 -2.169 169 HG2 ARG 23 HG2 ARG 23 3.383 -7.865 -4.303 170 HG3 ARG 23 HG3 ARG 23 4.308 -6.578 -3.532 171 HD2 ARG 23 HD2 ARG 23 6.048 -8.167 -2.939 172 HD3 ARG 23 HD3 ARG 23 5.110 -9.480 -3.648 173 HE ARG 23 HE ARG 23 5.474 -7.538 -5.615 174 HH11 ARG 23 HH11 ARG 23 7.404 -9.793 -3.755 175 HH12 ARG 23 HH12 ARG 23 8.610 -9.969 -4.987 176 HH21 ARG 23 HH21 ARG 23 7.058 -7.777 -7.240 177 HH22 ARG 23 HH22 ARG 23 8.416 -8.826 -6.972 178 H LEU 24 H LEU 24 -0.291 -7.776 -1.562 179 HA LEU 24 HA LEU 24 -0.529 -6.960 1.070 180 HB2 LEU 24 HB2 LEU 24 -2.210 -7.881 -0.965 181 HB3 LEU 24 HB3 LEU 24 -2.561 -8.836 0.455 182 HG LEU 24 HG LEU 24 -3.975 -6.815 0.243 183 HD11 LEU 24 HD11 LEU 24 -3.615 -7.836 2.419 184 HD12 LEU 24 HD12 LEU 24 -3.746 -6.084 2.555 185 HD13 LEU 24 HD13 LEU 24 -2.164 -6.859 2.642 186 HD21 LEU 24 HD21 LEU 24 -3.058 -4.630 0.607 187 HD22 LEU 24 HD22 LEU 24 -2.213 -5.377 -0.750 188 HD23 LEU 24 HD23 LEU 24 -1.442 -5.300 0.835 189 HA PRO 25 HA PRO 25 -0.475 -11.743 2.354 190 HB2 PRO 25 HB2 PRO 25 1.679 -12.452 0.411 191 HB3 PRO 25 HB3 PRO 25 0.396 -13.468 1.082 192 HG2 PRO 25 HG2 PRO 25 0.179 -12.567 -1.377 193 HG3 PRO 25 HG3 PRO 25 -1.232 -12.509 -0.301 194 HD2 PRO 25 HD2 PRO 25 0.631 -10.303 -1.104 195 HD3 PRO 25 HD3 PRO 25 -1.132 -10.282 -0.934 196 H ASP 26 H ASP 26 2.180 -9.692 1.346 197 HA ASP 26 HA ASP 26 3.693 -10.558 3.728 198 HB2 ASP 26 HB2 ASP 26 4.647 -9.521 1.070 199 HB3 ASP 26 HB3 ASP 26 5.682 -9.514 2.491 200 H TYR 27 H TYR 27 1.997 -8.023 2.314 201 HA TYR 27 HA TYR 27 1.768 -5.801 2.643 202 HB2 TYR 27 HB2 TYR 27 2.360 -6.897 5.299 203 HB3 TYR 27 HB3 TYR 27 2.701 -5.179 5.141 204 HD1 TYR 27 HD1 TYR 27 0.555 -4.298 3.322 205 HD2 TYR 27 HD2 TYR 27 0.431 -7.017 6.595 206 HE1 TYR 27 HE1 TYR 27 -1.814 -3.757 3.672 207 HE2 TYR 27 HE2 TYR 27 -1.946 -6.488 6.947 208 HH TYR 27 HH TYR 27 -3.484 -4.560 6.467 209 H ILE 28 H ILE 28 4.143 -6.587 1.342 210 HA ILE 28 HA ILE 28 6.066 -4.610 2.343 211 HB ILE 28 HB ILE 28 7.742 -5.764 0.907 212 HG12 ILE 28 HG12 ILE 28 5.560 -7.849 0.659 213 HG13 ILE 28 HG13 ILE 28 6.183 -6.852 -0.647 214 HG21 ILE 28 HG21 ILE 28 8.061 -7.664 2.427 215 HG22 ILE 28 HG22 ILE 28 6.429 -7.421 3.055 216 HG23 ILE 28 HG23 ILE 28 7.658 -6.177 3.284 217 HD11 ILE 28 HD11 ILE 28 7.099 -9.088 -0.741 218 HD12 ILE 28 HD12 ILE 28 7.730 -8.918 0.895 219 HD13 ILE 28 HD13 ILE 28 8.368 -7.912 -0.405 220 H CYS 29 H CYS 29 7.575 -4.116 0.300 221 HA CYS 29 HA CYS 29 5.902 -2.466 -1.409 222 HB2 CYS 29 HB2 CYS 29 7.920 -1.603 -0.240 223 HB3 CYS 29 HB3 CYS 29 8.902 -2.734 -1.145 224 HA PRO 30 HA PRO 30 6.388 -5.331 -4.790 225 HB2 PRO 30 HB2 PRO 30 5.475 -3.777 -6.790 226 HB3 PRO 30 HB3 PRO 30 4.399 -4.442 -5.559 227 HG2 PRO 30 HG2 PRO 30 5.529 -1.688 -5.799 228 HG3 PRO 30 HG3 PRO 30 3.904 -2.190 -5.305 229 HD2 PRO 30 HD2 PRO 30 5.909 -1.465 -3.564 230 HD3 PRO 30 HD3 PRO 30 4.542 -2.513 -3.131 231 H ARG 31 H ARG 31 7.955 -2.316 -4.451 232 HA ARG 31 HA ARG 31 9.634 -2.711 -6.790 233 HB2 ARG 31 HB2 ARG 31 9.927 -0.433 -4.875 234 HB3 ARG 31 HB3 ARG 31 10.228 -0.479 -6.603 235 HG2 ARG 31 HG2 ARG 31 7.539 -1.025 -6.383 236 HG3 ARG 31 HG3 ARG 31 7.826 0.194 -5.149 237 HD2 ARG 31 HD2 ARG 31 7.248 1.280 -7.182 238 HD3 ARG 31 HD3 ARG 31 8.944 1.583 -6.850 239 HE ARG 31 HE ARG 31 9.175 -0.486 -8.461 240 HH11 ARG 31 HH11 ARG 31 7.030 2.267 -8.768 241 HH12 ARG 31 HH12 ARG 31 7.025 2.225 -10.500 242 HH21 ARG 31 HH21 ARG 31 9.169 -0.542 -10.730 243 HH22 ARG 31 HH22 ARG 31 8.239 0.623 -11.620 244 H CYS 32 H CYS 32 9.972 -2.492 -3.222 245 HA CYS 32 HA CYS 32 12.719 -3.475 -3.623 246 HB2 CYS 32 HB2 CYS 32 13.518 -2.148 -1.774 247 HB3 CYS 32 HB3 CYS 32 12.724 -1.108 -2.947 248 H GLU 33 H GLU 33 9.758 -4.126 -2.191 249 HA GLU 33 HA GLU 33 9.010 -5.792 -0.839 250 HB2 GLU 33 HB2 GLU 33 11.742 -6.948 -1.414 251 HB3 GLU 33 HB3 GLU 33 10.392 -7.835 -0.724 252 HG2 GLU 33 HG2 GLU 33 9.116 -7.567 -2.741 253 HG3 GLU 33 HG3 GLU 33 10.359 -6.526 -3.433 254 H SER 34 H SER 34 10.228 -3.545 0.425 255 HA SER 34 HA SER 34 11.908 -4.598 2.538 256 HB2 SER 34 HB2 SER 34 12.720 -2.583 1.573 257 HB3 SER 34 HB3 SER 34 11.157 -1.784 1.733 258 HG SER 34 HG SER 34 12.501 -2.760 4.013 259 H GLY 35 H GLY 35 8.972 -2.557 2.428 260 HA2 GLY 35 HA2 GLY 35 7.068 -3.441 3.748 261 HA3 GLY 35 HA3 GLY 35 8.250 -3.764 5.001 262 H PHE 36 H PHE 36 9.621 -1.173 4.298 263 HA PHE 36 HA PHE 36 8.205 0.511 6.111 264 HB2 PHE 36 HB2 PHE 36 10.612 0.899 4.357 265 HB3 PHE 36 HB3 PHE 36 9.893 2.262 5.204 266 HD1 PHE 36 HD1 PHE 36 10.805 -1.262 6.042 267 HD2 PHE 36 HD2 PHE 36 10.947 2.847 7.123 268 HE1 PHE 36 HE1 PHE 36 12.072 -1.846 8.068 269 HE2 PHE 36 HE2 PHE 36 12.215 2.274 9.155 270 HZ PHE 36 HZ PHE 36 12.779 -0.077 9.629 271 H ILE 37 H ILE 37 6.143 0.812 5.266 272 HA ILE 37 HA ILE 37 5.983 2.661 3.005 273 HB ILE 37 HB ILE 37 4.001 1.430 2.145 274 HG12 ILE 37 HG12 ILE 37 4.842 -0.572 4.239 275 HG13 ILE 37 HG13 ILE 37 3.271 0.168 4.027 276 HG21 ILE 37 HG21 ILE 37 6.640 -0.017 2.202 277 HG22 ILE 37 HG22 ILE 37 6.083 1.162 1.012 278 HG23 ILE 37 HG23 ILE 37 5.317 -0.425 1.109 279 HD11 ILE 37 HD11 ILE 37 4.527 -1.806 2.135 280 HD12 ILE 37 HD12 ILE 37 2.918 -1.100 1.991 281 HD13 ILE 37 HD13 ILE 37 3.291 -2.174 3.338 282 H GLU 38 H GLU 38 4.039 3.914 2.945 283 HA GLU 38 HA GLU 38 2.698 4.078 5.561 284 HB2 GLU 38 HB2 GLU 38 3.562 6.174 3.623 285 HB3 GLU 38 HB3 GLU 38 2.162 6.479 4.642 286 HG2 GLU 38 HG2 GLU 38 3.622 5.934 6.614 287 HG3 GLU 38 HG3 GLU 38 4.989 5.951 5.498 288 H GLU 39 H GLU 39 0.646 3.539 5.584 289 HA GLU 39 HA GLU 39 -0.890 3.171 3.207 290 HB2 GLU 39 HB2 GLU 39 -1.098 1.884 5.393 291 HB3 GLU 39 HB3 GLU 39 -1.888 3.299 6.056 292 HG2 GLU 39 HG2 GLU 39 -2.908 1.929 3.596 293 HG3 GLU 39 HG3 GLU 39 -3.347 1.391 5.216 294 H LEU 40 H LEU 40 -1.704 4.796 2.084 295 HA LEU 40 HA LEU 40 -1.690 7.450 3.199 296 HB2 LEU 40 HB2 LEU 40 -2.363 6.452 0.445 297 HB3 LEU 40 HB3 LEU 40 -2.268 8.142 0.891 298 HG LEU 40 HG LEU 40 0.039 6.195 0.990 299 HD11 LEU 40 HD11 LEU 40 -0.648 6.649 -1.284 300 HD12 LEU 40 HD12 LEU 40 0.889 7.433 -0.923 301 HD13 LEU 40 HD13 LEU 40 -0.594 8.383 -0.969 302 HD21 LEU 40 HD21 LEU 40 -0.079 9.176 1.428 303 HD22 LEU 40 HD22 LEU 40 1.398 8.219 1.319 304 HD23 LEU 40 HD23 LEU 40 0.270 7.951 2.648 Start of MODEL 18 1 H1 GLY -1 H1 GLY -1 -16.675 12.331 2.489 2 H2 GLY -1 H2 GLY -1 -17.335 10.888 3.069 3 H3 GLY -1 H3 GLY -1 -18.344 12.203 2.734 4 HA2 GLY -1 HA3 GLY -1 -18.522 10.562 0.988 5 HA3 GLY -1 HA2 GLY -1 -17.814 12.053 0.387 6 H SER 0 H SER 0 -17.090 10.544 -1.335 7 HA SER 0 HA SER 0 -14.523 9.331 -0.575 8 HB2 SER 0 HB2 SER 0 -16.260 7.595 -1.036 9 HB3 SER 0 HB3 SER 0 -16.433 8.250 -2.662 10 HG SER 0 HG SER 0 -14.641 6.491 -1.755 11 H MET 1 H MET 1 -13.175 10.891 -1.303 12 HA MET 1 HA MET 1 -13.606 12.095 -3.916 13 HB2 MET 1 HB2 MET 1 -11.637 13.484 -3.355 14 HB3 MET 1 HB3 MET 1 -12.904 13.581 -2.140 15 HG2 MET 1 HG2 MET 1 -11.651 11.975 -0.753 16 HG3 MET 1 HG3 MET 1 -10.361 11.984 -1.955 17 HE1 MET 1 HE1 MET 1 -8.708 12.606 0.139 18 HE2 MET 1 HE2 MET 1 -10.108 12.650 1.210 19 HE3 MET 1 HE3 MET 1 -8.979 14.005 1.176 20 H ALA 2 H ALA 2 -12.448 9.272 -2.990 21 HA ALA 2 HA ALA 2 -11.167 8.739 -5.448 22 HB1 ALA 2 HB1 ALA 2 -8.922 8.225 -4.673 23 HB2 ALA 2 HB2 ALA 2 -9.339 8.754 -3.044 24 HB3 ALA 2 HB3 ALA 2 -9.291 9.921 -4.365 25 H GLU 3 H GLU 3 -10.873 7.664 -2.080 26 HA GLU 3 HA GLU 3 -12.545 5.416 -2.373 27 HB2 GLU 3 HB2 GLU 3 -10.562 4.653 -3.717 28 HB3 GLU 3 HB3 GLU 3 -9.589 4.772 -2.261 29 HG2 GLU 3 HG2 GLU 3 -10.876 3.049 -1.198 30 HG3 GLU 3 HG3 GLU 3 -11.988 2.986 -2.563 31 H ALA 4 H ALA 4 -9.675 4.839 -0.555 32 HA ALA 4 HA ALA 4 -9.225 4.786 1.668 33 HB1 ALA 4 HB1 ALA 4 -9.345 6.929 2.793 34 HB2 ALA 4 HB2 ALA 4 -10.451 7.533 1.560 35 HB3 ALA 4 HB3 ALA 4 -8.789 7.130 1.132 36 H SER 5 H SER 5 -11.200 3.164 1.596 37 HA SER 5 HA SER 5 -12.435 3.438 4.100 38 HB2 SER 5 HB2 SER 5 -13.915 5.019 2.927 39 HB3 SER 5 HB3 SER 5 -14.353 3.756 1.780 40 HG SER 5 HG SER 5 -14.913 3.881 4.557 41 HA PRO 6 HA PRO 6 -14.220 -0.577 2.051 42 HB2 PRO 6 HB2 PRO 6 -13.176 -1.237 -0.405 43 HB3 PRO 6 HB3 PRO 6 -14.733 -0.440 -0.162 44 HG2 PRO 6 HG2 PRO 6 -12.082 0.749 -0.866 45 HG3 PRO 6 HG3 PRO 6 -13.692 1.144 -1.498 46 HD2 PRO 6 HD2 PRO 6 -12.495 2.683 0.341 47 HD3 PRO 6 HD3 PRO 6 -14.247 2.412 0.361 48 H HIS 7 H HIS 7 -10.910 0.338 1.231 49 HA HIS 7 HA HIS 7 -9.742 -1.646 2.863 50 HB2 HIS 7 HB2 HIS 7 -8.693 -3.020 1.068 51 HB3 HIS 7 HB3 HIS 7 -10.431 -3.217 1.146 52 HD1 HIS 7 HD1 HIS 7 -11.676 -2.905 -0.988 53 HD2 HIS 7 HD2 HIS 7 -7.849 -1.297 -1.158 54 HE1 HIS 7 HE1 HIS 7 -11.361 -2.165 -3.366 55 HE2 HIS 7 HE2 HIS 7 -9.071 -1.124 -3.433 56 HA PRO 8 HA PRO 8 -6.301 1.066 1.954 57 HB2 PRO 8 HB2 PRO 8 -4.315 -0.371 3.115 58 HB3 PRO 8 HB3 PRO 8 -5.483 0.570 4.043 59 HG2 PRO 8 HG2 PRO 8 -5.304 -2.356 3.633 60 HG3 PRO 8 HG3 PRO 8 -5.933 -1.448 5.015 61 HD2 PRO 8 HD2 PRO 8 -7.445 -2.675 3.012 62 HD3 PRO 8 HD3 PRO 8 -8.031 -1.484 4.181 63 H GLY 9 H GLY 9 -4.943 1.259 0.236 64 HA2 GLY 9 HA2 GLY 9 -3.810 -1.098 -1.020 65 HA3 GLY 9 HA3 GLY 9 -5.046 -0.280 -1.963 66 H ARG 10 H ARG 10 -4.373 2.359 -1.077 67 HA ARG 10 HA ARG 10 -2.042 2.840 -2.710 68 HB2 ARG 10 HB2 ARG 10 -2.571 5.241 -2.257 69 HB3 ARG 10 HB3 ARG 10 -3.889 4.348 -3.000 70 HG2 ARG 10 HG2 ARG 10 -5.158 4.350 -1.075 71 HG3 ARG 10 HG3 ARG 10 -3.768 4.653 -0.034 72 HD2 ARG 10 HD2 ARG 10 -4.478 6.775 -0.043 73 HD3 ARG 10 HD3 ARG 10 -3.767 6.841 -1.653 74 HE ARG 10 HE ARG 10 -5.994 6.362 -2.541 75 HH11 ARG 10 HH11 ARG 10 -5.764 7.432 0.787 76 HH12 ARG 10 HH12 ARG 10 -7.351 8.141 0.795 77 HH21 ARG 10 HH21 ARG 10 -8.092 7.256 -2.518 78 HH22 ARG 10 HH22 ARG 10 -8.676 8.040 -1.081 79 H TYR 11 H TYR 11 -0.097 2.637 -1.836 80 HA TYR 11 HA TYR 11 0.297 3.648 0.901 81 HB2 TYR 11 HB2 TYR 11 1.328 1.155 -0.393 82 HB3 TYR 11 HB3 TYR 11 2.299 1.960 0.832 83 HD1 TYR 11 HD1 TYR 11 -1.216 0.758 0.336 84 HD2 TYR 11 HD2 TYR 11 2.048 1.328 3.003 85 HE1 TYR 11 HE1 TYR 11 -2.472 -0.382 2.121 86 HE2 TYR 11 HE2 TYR 11 0.820 0.191 4.784 87 HH TYR 11 HH TYR 11 -1.464 -0.345 5.396 88 H PHE 12 H PHE 12 2.557 4.262 1.329 89 HA PHE 12 HA PHE 12 3.959 5.150 -1.091 90 HB2 PHE 12 HB2 PHE 12 2.679 6.960 0.227 91 HB3 PHE 12 HB3 PHE 12 3.935 6.765 1.447 92 HD1 PHE 12 HD2 PHE 12 3.198 7.792 -1.975 93 HD2 PHE 12 HD1 PHE 12 6.142 7.585 1.083 94 HE1 PHE 12 HE2 PHE 12 4.631 9.328 -3.261 95 HE2 PHE 12 HE1 PHE 12 7.597 9.117 -0.203 96 HZ PHE 12 HZ PHE 12 6.829 9.992 -2.373 97 H CYS 13 H CYS 13 5.796 4.068 -1.173 98 HA CYS 13 HA CYS 13 6.940 2.876 1.188 99 HB2 CYS 13 HB2 CYS 13 7.042 1.574 -0.821 100 HB3 CYS 13 HB3 CYS 13 7.788 2.894 -1.710 101 H HIS 14 H HIS 14 8.588 3.582 2.361 102 HA HIS 14 HA HIS 14 9.650 6.220 1.881 103 HB2 HIS 14 HB2 HIS 14 9.845 4.191 4.061 104 HB3 HIS 14 HB3 HIS 14 11.075 5.450 3.976 105 HD1 HIS 14 HD1 HIS 14 10.476 7.074 5.748 106 HD2 HIS 14 HD2 HIS 14 7.158 5.851 3.568 107 HE1 HIS 14 HE1 HIS 14 8.561 8.456 6.604 108 HE2 HIS 14 HE2 HIS 14 6.613 7.846 5.120 109 H CYS 15 H CYS 15 10.648 2.951 1.418 110 HA CYS 15 HA CYS 15 13.434 3.476 1.120 111 HB2 CYS 15 HB2 CYS 15 11.715 1.133 0.288 112 HB3 CYS 15 HB3 CYS 15 13.470 1.139 0.209 113 HG CYS 15 HG CYS 15 13.952 0.639 2.699 114 H CYS 16 H CYS 16 10.672 3.413 -1.032 115 HA CYS 16 HA CYS 16 12.432 3.887 -3.337 116 HB2 CYS 16 HB2 CYS 16 9.491 3.195 -3.232 117 HB3 CYS 16 HB3 CYS 16 10.402 3.481 -4.702 118 H SER 17 H SER 17 10.447 5.448 -1.149 119 HA SER 17 HA SER 17 9.246 7.337 -0.998 120 HB2 SER 17 HB2 SER 17 10.330 9.387 -1.887 121 HB3 SER 17 HB3 SER 17 11.414 8.361 -0.957 122 HG SER 17 HG SER 17 11.668 7.547 -3.423 123 H VAL 18 H VAL 18 8.087 5.667 -2.759 124 HA VAL 18 HA VAL 18 6.771 7.559 -4.557 125 HB VAL 18 HB VAL 18 6.638 5.969 -6.385 126 HG11 VAL 18 HG11 VAL 18 9.493 6.337 -5.497 127 HG12 VAL 18 HG12 VAL 18 8.521 7.518 -6.375 128 HG13 VAL 18 HG13 VAL 18 8.955 5.989 -7.140 129 HG21 VAL 18 HG21 VAL 18 8.355 4.187 -4.670 130 HG22 VAL 18 HG22 VAL 18 7.972 3.896 -6.366 131 HG23 VAL 18 HG23 VAL 18 6.687 3.896 -5.158 132 H GLU 19 H GLU 19 4.694 6.725 -5.342 133 HA GLU 19 HA GLU 19 3.262 5.530 -3.128 134 HB2 GLU 19 HB2 GLU 19 2.552 7.486 -4.797 135 HB3 GLU 19 HB3 GLU 19 1.913 6.135 -5.718 136 HG2 GLU 19 HG2 GLU 19 0.729 5.452 -3.604 137 HG3 GLU 19 HG3 GLU 19 1.186 7.013 -2.949 138 H ILE 20 H ILE 20 2.574 3.471 -3.029 139 HA ILE 20 HA ILE 20 2.972 1.751 -5.393 140 HB ILE 20 HB ILE 20 3.940 0.007 -3.907 141 HG12 ILE 20 HG12 ILE 20 4.774 1.865 -1.829 142 HG13 ILE 20 HG13 ILE 20 3.030 1.650 -1.870 143 HG21 ILE 20 HG21 ILE 20 6.175 1.020 -3.697 144 HG22 ILE 20 HG22 ILE 20 5.468 2.599 -4.040 145 HG23 ILE 20 HG23 ILE 20 5.428 1.329 -5.264 146 HD11 ILE 20 HD11 ILE 20 5.107 -0.503 -1.579 147 HD12 ILE 20 HD12 ILE 20 3.371 -0.782 -1.718 148 HD13 ILE 20 HD13 ILE 20 4.013 0.099 -0.331 149 H VAL 21 H VAL 21 2.003 -0.347 -5.185 150 HA VAL 21 HA VAL 21 -0.177 -0.514 -3.211 151 HB VAL 21 HB VAL 21 -1.167 -0.537 -5.381 152 HG11 VAL 21 HG11 VAL 21 0.811 -2.661 -6.188 153 HG12 VAL 21 HG12 VAL 21 0.877 -0.964 -6.665 154 HG13 VAL 21 HG13 VAL 21 -0.466 -1.979 -7.198 155 HG21 VAL 21 HG21 VAL 21 -0.898 -3.390 -4.434 156 HG22 VAL 21 HG22 VAL 21 -2.144 -2.782 -5.523 157 HG23 VAL 21 HG23 VAL 21 -2.071 -2.205 -3.859 158 HA PRO 22 HA PRO 22 2.869 -3.295 -1.510 159 HB2 PRO 22 HB2 PRO 22 0.695 -3.879 0.413 160 HB3 PRO 22 HB3 PRO 22 2.330 -3.305 0.712 161 HG2 PRO 22 HG2 PRO 22 0.259 -1.672 0.967 162 HG3 PRO 22 HG3 PRO 22 1.783 -1.103 0.260 163 HD2 PRO 22 HD2 PRO 22 -0.759 -1.898 -1.112 164 HD3 PRO 22 HD3 PRO 22 0.311 -0.516 -1.435 165 H ARG 23 H ARG 23 3.298 -5.423 -1.601 166 HA ARG 23 HA ARG 23 1.393 -7.226 -2.757 167 HB2 ARG 23 HB2 ARG 23 4.104 -7.703 -1.491 168 HB3 ARG 23 HB3 ARG 23 3.159 -8.943 -2.304 169 HG2 ARG 23 HG2 ARG 23 3.277 -7.658 -4.385 170 HG3 ARG 23 HG3 ARG 23 4.240 -6.432 -3.565 171 HD2 ARG 23 HD2 ARG 23 5.982 -8.076 -3.136 172 HD3 ARG 23 HD3 ARG 23 5.011 -9.326 -3.911 173 HE ARG 23 HE ARG 23 5.307 -7.277 -5.758 174 HH11 ARG 23 HH11 ARG 23 7.380 -9.529 -4.054 175 HH12 ARG 23 HH12 ARG 23 8.557 -9.596 -5.324 176 HH21 ARG 23 HH21 ARG 23 6.849 -7.351 -7.414 177 HH22 ARG 23 HH22 ARG 23 8.258 -8.348 -7.240 178 H LEU 24 H LEU 24 -0.320 -7.671 -1.547 179 HA LEU 24 HA LEU 24 -0.502 -7.160 1.160 180 HB2 LEU 24 HB2 LEU 24 -2.231 -7.858 -0.896 181 HB3 LEU 24 HB3 LEU 24 -2.475 -9.070 0.343 182 HG LEU 24 HG LEU 24 -3.998 -7.118 0.526 183 HD11 LEU 24 HD11 LEU 24 -3.726 -6.814 2.935 184 HD12 LEU 24 HD12 LEU 24 -2.117 -7.527 2.837 185 HD13 LEU 24 HD13 LEU 24 -3.537 -8.503 2.465 186 HD21 LEU 24 HD21 LEU 24 -3.176 -4.993 1.276 187 HD22 LEU 24 HD22 LEU 24 -2.345 -5.428 -0.216 188 HD23 LEU 24 HD23 LEU 24 -1.522 -5.604 1.334 189 HA PRO 25 HA PRO 25 -0.155 -12.139 1.782 190 HB2 PRO 25 HB2 PRO 25 2.198 -12.130 -0.069 191 HB3 PRO 25 HB3 PRO 25 1.136 -13.471 0.379 192 HG2 PRO 25 HG2 PRO 25 0.800 -12.266 -1.933 193 HG3 PRO 25 HG3 PRO 25 -0.615 -12.670 -0.940 194 HD2 PRO 25 HD2 PRO 25 0.688 -10.027 -1.397 195 HD3 PRO 25 HD3 PRO 25 -1.021 -10.422 -1.164 196 H ASP 26 H ASP 26 2.337 -9.681 1.290 197 HA ASP 26 HA ASP 26 3.601 -10.578 3.798 198 HB2 ASP 26 HB2 ASP 26 4.896 -9.691 1.236 199 HB3 ASP 26 HB3 ASP 26 5.756 -9.625 2.769 200 H TYR 27 H TYR 27 1.940 -8.171 2.326 201 HA TYR 27 HA TYR 27 1.641 -5.942 2.556 202 HB2 TYR 27 HB2 TYR 27 2.112 -6.997 5.237 203 HB3 TYR 27 HB3 TYR 27 2.472 -5.280 5.101 204 HD1 TYR 27 HD1 TYR 27 0.548 -4.047 3.536 205 HD2 TYR 27 HD2 TYR 27 -0.003 -7.439 6.044 206 HE1 TYR 27 HE1 TYR 27 -1.838 -3.499 3.739 207 HE2 TYR 27 HE2 TYR 27 -2.395 -6.904 6.246 208 HH TYR 27 HH TYR 27 -3.868 -4.918 6.043 209 H ILE 28 H ILE 28 4.059 -6.574 1.317 210 HA ILE 28 HA ILE 28 5.881 -4.544 2.417 211 HB ILE 28 HB ILE 28 7.637 -5.688 0.985 212 HG12 ILE 28 HG12 ILE 28 5.548 -7.878 0.963 213 HG13 ILE 28 HG13 ILE 28 6.081 -6.962 -0.437 214 HG21 ILE 28 HG21 ILE 28 6.432 -7.232 3.276 215 HG22 ILE 28 HG22 ILE 28 7.580 -5.899 3.402 216 HG23 ILE 28 HG23 ILE 28 8.072 -7.418 2.654 217 HD11 ILE 28 HD11 ILE 28 8.311 -7.896 -0.210 218 HD12 ILE 28 HD12 ILE 28 7.099 -9.167 -0.362 219 HD13 ILE 28 HD13 ILE 28 7.797 -8.797 1.214 220 H CYS 29 H CYS 29 7.497 -4.148 0.314 221 HA CYS 29 HA CYS 29 5.856 -2.487 -1.407 222 HB2 CYS 29 HB2 CYS 29 7.953 -1.687 -0.316 223 HB3 CYS 29 HB3 CYS 29 8.853 -2.865 -1.244 224 HA PRO 30 HA PRO 30 6.117 -5.477 -4.694 225 HB2 PRO 30 HB2 PRO 30 5.232 -3.972 -6.740 226 HB3 PRO 30 HB3 PRO 30 4.153 -4.495 -5.443 227 HG2 PRO 30 HG2 PRO 30 5.444 -1.842 -5.886 228 HG3 PRO 30 HG3 PRO 30 3.818 -2.211 -5.288 229 HD2 PRO 30 HD2 PRO 30 5.977 -1.523 -3.704 230 HD3 PRO 30 HD3 PRO 30 4.539 -2.402 -3.134 231 H ARG 31 H ARG 31 7.923 -2.663 -4.403 232 HA ARG 31 HA ARG 31 9.532 -3.179 -6.781 233 HB2 ARG 31 HB2 ARG 31 10.104 -0.914 -4.951 234 HB3 ARG 31 HB3 ARG 31 10.187 -0.985 -6.699 235 HG2 ARG 31 HG2 ARG 31 7.634 -1.086 -6.602 236 HG3 ARG 31 HG3 ARG 31 7.815 -0.553 -4.941 237 HD2 ARG 31 HD2 ARG 31 7.456 1.327 -6.452 238 HD3 ARG 31 HD3 ARG 31 9.028 1.403 -5.669 239 HE ARG 31 HE ARG 31 8.589 0.575 -8.464 240 HH11 ARG 31 HH11 ARG 31 10.640 1.937 -5.970 241 HH12 ARG 31 HH12 ARG 31 11.879 2.424 -7.076 242 HH21 ARG 31 HH21 ARG 31 10.236 1.183 -9.912 243 HH22 ARG 31 HH22 ARG 31 11.655 1.985 -9.319 244 H CYS 32 H CYS 32 10.028 -2.489 -3.292 245 HA CYS 32 HA CYS 32 12.694 -3.674 -3.620 246 HB2 CYS 32 HB2 CYS 32 13.513 -2.211 -1.888 247 HB3 CYS 32 HB3 CYS 32 12.688 -1.255 -3.109 248 H GLU 33 H GLU 33 9.736 -4.258 -2.267 249 HA GLU 33 HA GLU 33 8.920 -5.753 -0.763 250 HB2 GLU 33 HB2 GLU 33 11.608 -7.024 -1.277 251 HB3 GLU 33 HB3 GLU 33 10.262 -7.822 -0.481 252 HG2 GLU 33 HG2 GLU 33 8.920 -7.598 -2.501 253 HG3 GLU 33 HG3 GLU 33 10.257 -6.771 -3.300 254 H SER 34 H SER 34 10.104 -3.482 0.426 255 HA SER 34 HA SER 34 11.743 -4.450 2.610 256 HB2 SER 34 HB2 SER 34 12.671 -2.470 1.924 257 HB3 SER 34 HB3 SER 34 11.125 -1.753 1.477 258 HG SER 34 HG SER 34 12.433 -1.179 3.576 259 H GLY 35 H GLY 35 8.775 -2.466 2.377 260 HA2 GLY 35 HA2 GLY 35 6.844 -3.179 3.702 261 HA3 GLY 35 HA3 GLY 35 7.990 -3.614 4.957 262 H PHE 36 H PHE 36 9.492 -1.055 4.156 263 HA PHE 36 HA PHE 36 8.298 0.709 6.035 264 HB2 PHE 36 HB2 PHE 36 10.526 0.993 4.041 265 HB3 PHE 36 HB3 PHE 36 9.938 2.387 4.937 266 HD1 PHE 36 HD1 PHE 36 10.852 -1.150 5.705 267 HD2 PHE 36 HD2 PHE 36 11.181 2.957 6.742 268 HE1 PHE 36 HE1 PHE 36 12.311 -1.748 7.591 269 HE2 PHE 36 HE2 PHE 36 12.640 2.368 8.632 270 HZ PHE 36 HZ PHE 36 13.207 0.012 9.061 271 H ILE 37 H ILE 37 6.126 0.780 5.168 272 HA ILE 37 HA ILE 37 5.861 2.704 2.967 273 HB ILE 37 HB ILE 37 3.910 1.444 2.123 274 HG12 ILE 37 HG12 ILE 37 4.762 -0.560 4.214 275 HG13 ILE 37 HG13 ILE 37 3.195 0.193 4.029 276 HG21 ILE 37 HG21 ILE 37 5.251 -0.434 1.133 277 HG22 ILE 37 HG22 ILE 37 6.574 0.057 2.191 278 HG23 ILE 37 HG23 ILE 37 5.957 1.174 0.974 279 HD11 ILE 37 HD11 ILE 37 3.180 -2.143 3.322 280 HD12 ILE 37 HD12 ILE 37 4.407 -1.782 2.108 281 HD13 ILE 37 HD13 ILE 37 2.804 -1.056 1.988 282 H GLU 38 H GLU 38 3.957 3.938 2.967 283 HA GLU 38 HA GLU 38 2.651 4.107 5.598 284 HB2 GLU 38 HB2 GLU 38 3.376 6.219 3.589 285 HB3 GLU 38 HB3 GLU 38 2.169 6.513 4.838 286 HG2 GLU 38 HG2 GLU 38 3.901 5.927 6.531 287 HG3 GLU 38 HG3 GLU 38 5.080 5.862 5.220 288 H GLU 39 H GLU 39 0.557 3.657 5.663 289 HA GLU 39 HA GLU 39 -0.972 3.267 3.260 290 HB2 GLU 39 HB2 GLU 39 -1.174 1.928 5.411 291 HB3 GLU 39 HB3 GLU 39 -1.973 3.321 6.113 292 HG2 GLU 39 HG2 GLU 39 -2.995 2.049 3.605 293 HG3 GLU 39 HG3 GLU 39 -3.398 1.399 5.192 294 H LEU 40 H LEU 40 -1.692 4.948 2.156 295 HA LEU 40 HA LEU 40 -1.664 7.565 3.328 296 HB2 LEU 40 HB2 LEU 40 -2.410 6.661 0.561 297 HB3 LEU 40 HB3 LEU 40 -2.205 8.329 1.050 298 HG LEU 40 HG LEU 40 -0.026 6.237 1.037 299 HD11 LEU 40 HD11 LEU 40 -0.557 8.541 -0.819 300 HD12 LEU 40 HD12 LEU 40 -0.698 6.825 -1.204 301 HD13 LEU 40 HD13 LEU 40 0.879 7.517 -0.832 302 HD21 LEU 40 HD21 LEU 40 1.471 8.137 1.445 303 HD22 LEU 40 HD22 LEU 40 0.332 7.903 2.769 304 HD23 LEU 40 HD23 LEU 40 0.072 9.197 1.599 Start of MODEL 19 1 H1 GLY -1 H1 GLY -1 -10.937 3.346 4.598 2 H2 GLY -1 H2 GLY -1 -9.449 2.595 4.887 3 H3 GLY -1 H3 GLY -1 -9.655 4.229 5.257 4 HA2 GLY -1 HA3 GLY -1 -11.298 3.661 6.943 5 HA3 GLY -1 HA2 GLY -1 -11.037 1.963 6.575 6 H SER 0 H SER 0 -10.357 1.538 8.709 7 HA SER 0 HA SER 0 -7.678 2.593 9.332 8 HB2 SER 0 HB2 SER 0 -8.321 2.167 11.751 9 HB3 SER 0 HB3 SER 0 -9.183 3.486 10.959 10 HG SER 0 HG SER 0 -10.133 1.108 11.950 11 H MET 1 H MET 1 -9.348 -0.092 8.384 12 HA MET 1 HA MET 1 -7.268 -1.866 9.423 13 HB2 MET 1 HB2 MET 1 -8.850 -3.570 10.076 14 HB3 MET 1 HB3 MET 1 -9.245 -2.078 10.917 15 HG2 MET 1 HG2 MET 1 -11.064 -1.657 9.396 16 HG3 MET 1 HG3 MET 1 -10.630 -3.070 8.437 17 HE1 MET 1 HE1 MET 1 -13.130 -3.998 8.592 18 HE2 MET 1 HE2 MET 1 -13.567 -2.555 9.506 19 HE3 MET 1 HE3 MET 1 -14.010 -4.152 10.111 20 H ALA 2 H ALA 2 -7.309 -4.001 8.308 21 HA ALA 2 HA ALA 2 -8.267 -3.735 5.531 22 HB1 ALA 2 HB1 ALA 2 -5.822 -3.645 5.674 23 HB2 ALA 2 HB2 ALA 2 -6.362 -5.103 4.841 24 HB3 ALA 2 HB3 ALA 2 -5.814 -5.195 6.515 25 H GLU 3 H GLU 3 -9.595 -4.855 7.904 26 HA GLU 3 HA GLU 3 -9.625 -7.712 7.284 27 HB2 GLU 3 HB2 GLU 3 -10.644 -6.335 9.771 28 HB3 GLU 3 HB3 GLU 3 -10.468 -8.066 9.520 29 HG2 GLU 3 HG2 GLU 3 -8.054 -7.798 9.351 30 HG3 GLU 3 HG3 GLU 3 -8.229 -6.068 9.634 31 H ALA 4 H ALA 4 -11.728 -8.796 7.497 32 HA ALA 4 HA ALA 4 -13.880 -9.137 6.913 33 HB1 ALA 4 HB1 ALA 4 -14.418 -7.578 8.713 34 HB2 ALA 4 HB2 ALA 4 -15.555 -7.432 7.373 35 HB3 ALA 4 HB3 ALA 4 -14.286 -6.228 7.589 36 H SER 5 H SER 5 -13.729 -5.778 5.777 37 HA SER 5 HA SER 5 -13.871 -6.776 3.031 38 HB2 SER 5 HB2 SER 5 -15.736 -4.648 4.095 39 HB3 SER 5 HB3 SER 5 -15.724 -5.328 2.469 40 HG SER 5 HG SER 5 -17.001 -6.219 4.625 41 HA PRO 6 HA PRO 6 -12.519 -2.030 2.916 42 HB2 PRO 6 HB2 PRO 6 -11.456 -1.298 5.398 43 HB3 PRO 6 HB3 PRO 6 -12.982 -0.731 4.717 44 HG2 PRO 6 HG2 PRO 6 -12.477 -2.917 6.681 45 HG3 PRO 6 HG3 PRO 6 -13.813 -1.750 6.613 46 HD2 PRO 6 HD2 PRO 6 -14.173 -4.264 5.833 47 HD3 PRO 6 HD3 PRO 6 -14.920 -2.931 4.938 48 H HIS 7 H HIS 7 -10.559 -1.896 2.047 49 HA HIS 7 HA HIS 7 -8.255 -3.001 3.413 50 HB2 HIS 7 HB2 HIS 7 -7.539 -4.378 1.522 51 HB3 HIS 7 HB3 HIS 7 -9.079 -4.933 2.138 52 HD1 HIS 7 HD1 HIS 7 -7.404 -3.907 -0.932 53 HD2 HIS 7 HD2 HIS 7 -11.325 -4.147 0.433 54 HE1 HIS 7 HE1 HIS 7 -8.843 -3.831 -2.989 55 HE2 HIS 7 HE2 HIS 7 -11.205 -3.767 -2.123 56 HA PRO 8 HA PRO 8 -6.660 0.606 1.411 57 HB2 PRO 8 HB2 PRO 8 -4.177 0.504 2.452 58 HB3 PRO 8 HB3 PRO 8 -5.585 0.967 3.409 59 HG2 PRO 8 HG2 PRO 8 -4.056 -1.570 3.389 60 HG3 PRO 8 HG3 PRO 8 -4.919 -0.786 4.718 61 HD2 PRO 8 HD2 PRO 8 -5.830 -2.936 3.174 62 HD3 PRO 8 HD3 PRO 8 -6.803 -1.945 4.273 63 H GLY 9 H GLY 9 -4.954 1.211 -0.104 64 HA2 GLY 9 HA2 GLY 9 -3.593 -1.025 -1.399 65 HA3 GLY 9 HA3 GLY 9 -4.769 -0.141 -2.357 66 H ARG 10 H ARG 10 -4.313 2.429 -1.486 67 HA ARG 10 HA ARG 10 -1.886 3.080 -2.850 68 HB2 ARG 10 HB2 ARG 10 -2.477 5.432 -2.191 69 HB3 ARG 10 HB3 ARG 10 -3.707 4.598 -3.122 70 HG2 ARG 10 HG2 ARG 10 -5.114 4.368 -1.304 71 HG3 ARG 10 HG3 ARG 10 -3.820 4.634 -0.139 72 HD2 ARG 10 HD2 ARG 10 -4.769 6.686 -0.051 73 HD3 ARG 10 HD3 ARG 10 -3.712 6.941 -1.433 74 HE ARG 10 HE ARG 10 -5.837 6.195 -2.733 75 HH11 ARG 10 HH11 ARG 10 -5.741 8.132 0.170 76 HH12 ARG 10 HH12 ARG 10 -7.118 9.093 -0.265 77 HH21 ARG 10 HH21 ARG 10 -7.666 7.444 -3.315 78 HH22 ARG 10 HH22 ARG 10 -8.222 8.695 -2.249 79 H TYR 11 H TYR 11 -0.038 2.618 -1.878 80 HA TYR 11 HA TYR 11 0.337 3.582 0.878 81 HB2 TYR 11 HB2 TYR 11 1.276 1.092 -0.468 82 HB3 TYR 11 HB3 TYR 11 2.322 1.842 0.730 83 HD1 TYR 11 HD2 TYR 11 -1.177 0.611 0.289 84 HD2 TYR 11 HD1 TYR 11 2.037 1.390 2.960 85 HE1 TYR 11 HE2 TYR 11 -2.427 -0.472 2.110 86 HE2 TYR 11 HE1 TYR 11 0.813 0.319 4.778 87 HH TYR 11 HH TYR 11 -1.995 -1.559 4.269 88 H PHE 12 H PHE 12 2.537 4.256 1.368 89 HA PHE 12 HA PHE 12 3.990 5.162 -1.018 90 HB2 PHE 12 HB2 PHE 12 2.663 6.941 0.273 91 HB3 PHE 12 HB3 PHE 12 3.885 6.759 1.529 92 HD1 PHE 12 HD1 PHE 12 3.212 7.790 -1.901 93 HD2 PHE 12 HD2 PHE 12 6.098 7.606 1.219 94 HE1 PHE 12 HE1 PHE 12 4.661 9.349 -3.151 95 HE2 PHE 12 HE2 PHE 12 7.561 9.159 -0.025 96 HZ PHE 12 HZ PHE 12 6.833 10.036 -2.211 97 H CYS 13 H CYS 13 5.825 4.098 -1.088 98 HA CYS 13 HA CYS 13 6.911 2.823 1.244 99 HB2 CYS 13 HB2 CYS 13 7.057 1.649 -0.849 100 HB3 CYS 13 HB3 CYS 13 7.875 3.006 -1.611 101 H HIS 14 H HIS 14 8.512 3.483 2.518 102 HA HIS 14 HA HIS 14 9.634 6.118 2.142 103 HB2 HIS 14 HB2 HIS 14 9.644 4.067 4.303 104 HB3 HIS 14 HB3 HIS 14 10.970 5.228 4.279 105 HD1 HIS 14 HD1 HIS 14 10.414 6.847 6.075 106 HD2 HIS 14 HD2 HIS 14 7.123 5.967 3.690 107 HE1 HIS 14 HE1 HIS 14 8.575 8.368 6.869 108 HE2 HIS 14 HE2 HIS 14 6.557 7.735 5.497 109 H CYS 15 H CYS 15 10.528 2.880 1.477 110 HA CYS 15 HA CYS 15 13.363 3.351 1.357 111 HB2 CYS 15 HB2 CYS 15 11.684 1.036 0.372 112 HB3 CYS 15 HB3 CYS 15 13.436 1.038 0.477 113 HG CYS 15 HG CYS 15 13.661 0.736 3.089 114 H CYS 16 H CYS 16 10.674 3.428 -0.846 115 HA CYS 16 HA CYS 16 12.503 3.921 -3.103 116 HB2 CYS 16 HB2 CYS 16 9.567 3.202 -3.135 117 HB3 CYS 16 HB3 CYS 16 10.550 3.504 -4.555 118 H SER 17 H SER 17 10.416 5.418 -0.958 119 HA SER 17 HA SER 17 9.218 7.309 -0.800 120 HB2 SER 17 HB2 SER 17 10.293 9.376 -1.642 121 HB3 SER 17 HB3 SER 17 11.393 8.341 -0.740 122 HG SER 17 HG SER 17 11.526 7.652 -3.311 123 H VAL 18 H VAL 18 8.100 5.641 -2.605 124 HA VAL 18 HA VAL 18 6.799 7.540 -4.403 125 HB VAL 18 HB VAL 18 6.709 5.945 -6.243 126 HG11 VAL 18 HG11 VAL 18 8.547 7.560 -6.205 127 HG12 VAL 18 HG12 VAL 18 9.020 6.051 -6.989 128 HG13 VAL 18 HG13 VAL 18 9.549 6.391 -5.341 129 HG21 VAL 18 HG21 VAL 18 6.817 3.881 -4.996 130 HG22 VAL 18 HG22 VAL 18 8.480 4.225 -4.524 131 HG23 VAL 18 HG23 VAL 18 8.091 3.912 -6.215 132 H GLU 19 H GLU 19 4.749 6.664 -5.247 133 HA GLU 19 HA GLU 19 3.285 5.420 -3.074 134 HB2 GLU 19 HB2 GLU 19 2.594 7.419 -4.664 135 HB3 GLU 19 HB3 GLU 19 2.025 6.118 -5.695 136 HG2 GLU 19 HG2 GLU 19 0.832 5.308 -3.555 137 HG3 GLU 19 HG3 GLU 19 1.086 6.950 -2.996 138 H ILE 20 H ILE 20 2.507 3.368 -3.064 139 HA ILE 20 HA ILE 20 2.895 1.683 -5.455 140 HB ILE 20 HB ILE 20 3.844 -0.104 -3.996 141 HG12 ILE 20 HG12 ILE 20 4.734 1.722 -1.917 142 HG13 ILE 20 HG13 ILE 20 2.986 1.543 -1.938 143 HG21 ILE 20 HG21 ILE 20 6.097 0.844 -3.833 144 HG22 ILE 20 HG22 ILE 20 5.429 2.456 -4.089 145 HG23 ILE 20 HG23 ILE 20 5.323 1.243 -5.365 146 HD11 ILE 20 HD11 ILE 20 3.289 -0.902 -1.810 147 HD12 ILE 20 HD12 ILE 20 3.939 -0.035 -0.417 148 HD13 ILE 20 HD13 ILE 20 5.028 -0.644 -1.667 149 H VAL 21 H VAL 21 1.863 -0.396 -5.289 150 HA VAL 21 HA VAL 21 -0.250 -0.586 -3.249 151 HB VAL 21 HB VAL 21 -1.334 -0.557 -5.363 152 HG11 VAL 21 HG11 VAL 21 0.647 -2.614 -6.317 153 HG12 VAL 21 HG12 VAL 21 0.619 -0.909 -6.767 154 HG13 VAL 21 HG13 VAL 21 -0.707 -1.971 -7.247 155 HG21 VAL 21 HG21 VAL 21 -2.312 -2.797 -5.552 156 HG22 VAL 21 HG22 VAL 21 -2.170 -2.285 -3.870 157 HG23 VAL 21 HG23 VAL 21 -1.019 -3.440 -4.541 158 HA PRO 22 HA PRO 22 2.817 -3.449 -1.749 159 HB2 PRO 22 HB2 PRO 22 0.864 -4.035 0.361 160 HB3 PRO 22 HB3 PRO 22 2.480 -3.342 0.488 161 HG2 PRO 22 HG2 PRO 22 0.281 -1.871 0.890 162 HG3 PRO 22 HG3 PRO 22 1.734 -1.196 0.135 163 HD2 PRO 22 HD2 PRO 22 -0.810 -2.117 -1.137 164 HD3 PRO 22 HD3 PRO 22 0.178 -0.684 -1.495 165 H ARG 23 H ARG 23 3.182 -5.626 -1.602 166 HA ARG 23 HA ARG 23 1.178 -7.439 -2.624 167 HB2 ARG 23 HB2 ARG 23 3.887 -8.012 -1.391 168 HB3 ARG 23 HB3 ARG 23 2.894 -9.167 -2.263 169 HG2 ARG 23 HG2 ARG 23 3.165 -7.877 -4.308 170 HG3 ARG 23 HG3 ARG 23 4.132 -6.685 -3.437 171 HD2 ARG 23 HD2 ARG 23 5.731 -8.502 -2.868 172 HD3 ARG 23 HD3 ARG 23 4.802 -9.586 -3.897 173 HE ARG 23 HE ARG 23 5.375 -7.537 -5.554 174 HH11 ARG 23 HH11 ARG 23 7.326 -9.588 -3.500 175 HH12 ARG 23 HH12 ARG 23 8.763 -9.411 -4.453 176 HH21 ARG 23 HH21 ARG 23 7.245 -7.311 -6.838 177 HH22 ARG 23 HH22 ARG 23 8.716 -8.110 -6.368 178 H LEU 24 H LEU 24 -0.479 -7.779 -1.257 179 HA LEU 24 HA LEU 24 -0.463 -7.065 1.401 180 HB2 LEU 24 HB2 LEU 24 -2.316 -8.071 -0.489 181 HB3 LEU 24 HB3 LEU 24 -2.541 -8.904 1.029 182 HG LEU 24 HG LEU 24 -3.958 -6.890 0.792 183 HD11 LEU 24 HD11 LEU 24 -3.406 -7.715 3.005 184 HD12 LEU 24 HD12 LEU 24 -3.476 -5.952 3.000 185 HD13 LEU 24 HD13 LEU 24 -1.915 -6.773 2.998 186 HD21 LEU 24 HD21 LEU 24 -2.987 -4.692 0.894 187 HD22 LEU 24 HD22 LEU 24 -2.323 -5.556 -0.491 188 HD23 LEU 24 HD23 LEU 24 -1.364 -5.375 0.978 189 HA PRO 25 HA PRO 25 -0.203 -12.009 2.389 190 HB2 PRO 25 HB2 PRO 25 2.090 -12.129 0.459 191 HB3 PRO 25 HB3 PRO 25 1.067 -13.444 1.051 192 HG2 PRO 25 HG2 PRO 25 0.612 -12.419 -1.329 193 HG3 PRO 25 HG3 PRO 25 -0.752 -12.761 -0.246 194 HD2 PRO 25 HD2 PRO 25 0.474 -10.149 -0.980 195 HD3 PRO 25 HD3 PRO 25 -1.207 -10.544 -0.595 196 H ASP 26 H ASP 26 2.679 -10.171 1.340 197 HA ASP 26 HA ASP 26 3.896 -10.652 3.968 198 HB2 ASP 26 HB2 ASP 26 4.994 -9.892 1.283 199 HB3 ASP 26 HB3 ASP 26 5.924 -9.550 2.737 200 H TYR 27 H TYR 27 2.230 -8.341 2.253 201 HA TYR 27 HA TYR 27 1.766 -6.150 2.463 202 HB2 TYR 27 HB2 TYR 27 1.956 -7.143 5.077 203 HB3 TYR 27 HB3 TYR 27 2.853 -5.627 5.092 204 HD1 TYR 27 HD1 TYR 27 1.153 -4.267 2.907 205 HD2 TYR 27 HD2 TYR 27 0.130 -6.412 6.439 206 HE1 TYR 27 HE1 TYR 27 -0.952 -3.012 3.052 207 HE2 TYR 27 HE2 TYR 27 -1.984 -5.162 6.588 208 HH TYR 27 HH TYR 27 -2.933 -3.052 5.826 209 H ILE 28 H ILE 28 4.191 -6.795 1.230 210 HA ILE 28 HA ILE 28 6.046 -4.748 2.221 211 HB ILE 28 HB ILE 28 7.723 -5.879 0.700 212 HG12 ILE 28 HG12 ILE 28 5.673 -8.105 0.753 213 HG13 ILE 28 HG13 ILE 28 6.037 -7.119 -0.653 214 HG21 ILE 28 HG21 ILE 28 7.784 -6.142 3.104 215 HG22 ILE 28 HG22 ILE 28 8.212 -7.657 2.309 216 HG23 ILE 28 HG23 ILE 28 6.607 -7.453 3.013 217 HD11 ILE 28 HD11 ILE 28 7.140 -9.277 -0.767 218 HD12 ILE 28 HD12 ILE 28 7.959 -8.949 0.759 219 HD13 ILE 28 HD13 ILE 28 8.319 -7.971 -0.663 220 H CYS 29 H CYS 29 7.555 -4.211 0.186 221 HA CYS 29 HA CYS 29 5.888 -2.585 -1.547 222 HB2 CYS 29 HB2 CYS 29 7.932 -1.751 -0.352 223 HB3 CYS 29 HB3 CYS 29 8.894 -2.857 -1.305 224 HA PRO 30 HA PRO 30 6.441 -5.508 -4.875 225 HB2 PRO 30 HB2 PRO 30 5.506 -4.035 -6.923 226 HB3 PRO 30 HB3 PRO 30 4.438 -4.656 -5.660 227 HG2 PRO 30 HG2 PRO 30 5.504 -1.907 -6.058 228 HG3 PRO 30 HG3 PRO 30 3.924 -2.420 -5.449 229 HD2 PRO 30 HD2 PRO 30 6.075 -1.574 -3.897 230 HD3 PRO 30 HD3 PRO 30 4.673 -2.493 -3.304 231 H ARG 31 H ARG 31 8.086 -2.640 -4.448 232 HA ARG 31 HA ARG 31 9.739 -2.929 -6.836 233 HB2 ARG 31 HB2 ARG 31 10.068 -0.704 -4.882 234 HB3 ARG 31 HB3 ARG 31 10.254 -0.691 -6.625 235 HG2 ARG 31 HG2 ARG 31 7.765 -0.952 -6.771 236 HG3 ARG 31 HG3 ARG 31 7.711 -0.684 -5.040 237 HD2 ARG 31 HD2 ARG 31 7.279 1.350 -6.384 238 HD3 ARG 31 HD3 ARG 31 8.629 1.492 -5.268 239 HE ARG 31 HE ARG 31 10.083 1.072 -7.255 240 HH11 ARG 31 HH11 ARG 31 6.844 2.346 -7.732 241 HH12 ARG 31 HH12 ARG 31 7.283 3.255 -9.140 242 HH21 ARG 31 HH21 ARG 31 10.646 2.243 -9.099 243 HH22 ARG 31 HH22 ARG 31 9.450 3.195 -9.922 244 H CYS 32 H CYS 32 10.152 -2.387 -3.308 245 HA CYS 32 HA CYS 32 12.873 -3.452 -3.625 246 HB2 CYS 32 HB2 CYS 32 13.557 -2.114 -1.720 247 HB3 CYS 32 HB3 CYS 32 12.790 -1.087 -2.924 248 H GLU 33 H GLU 33 9.875 -4.147 -2.343 249 HA GLU 33 HA GLU 33 9.053 -5.804 -1.025 250 HB2 GLU 33 HB2 GLU 33 11.780 -7.017 -1.513 251 HB3 GLU 33 HB3 GLU 33 10.354 -7.883 -0.959 252 HG2 GLU 33 HG2 GLU 33 9.232 -7.511 -3.029 253 HG3 GLU 33 HG3 GLU 33 10.494 -6.411 -3.577 254 H SER 34 H SER 34 10.178 -3.618 0.355 255 HA SER 34 HA SER 34 11.771 -4.742 2.508 256 HB2 SER 34 HB2 SER 34 12.714 -2.737 1.765 257 HB3 SER 34 HB3 SER 34 11.153 -1.926 1.638 258 HG SER 34 HG SER 34 12.843 -1.936 3.684 259 H GLY 35 H GLY 35 8.881 -2.642 2.318 260 HA2 GLY 35 HA2 GLY 35 6.909 -3.467 3.570 261 HA3 GLY 35 HA3 GLY 35 8.041 -3.851 4.853 262 H PHE 36 H PHE 36 9.522 -1.291 4.173 263 HA PHE 36 HA PHE 36 8.175 0.470 5.946 264 HB2 PHE 36 HB2 PHE 36 10.515 0.766 4.094 265 HB3 PHE 36 HB3 PHE 36 9.838 2.175 4.899 266 HD1 PHE 36 HD1 PHE 36 11.498 -1.071 5.441 267 HD2 PHE 36 HD2 PHE 36 10.207 2.590 7.173 268 HE1 PHE 36 HE1 PHE 36 12.827 -1.564 7.453 269 HE2 PHE 36 HE2 PHE 36 11.532 2.109 9.192 270 HZ PHE 36 HZ PHE 36 12.846 0.029 9.332 271 H ILE 37 H ILE 37 6.065 0.700 5.123 272 HA ILE 37 HA ILE 37 5.857 2.621 2.927 273 HB ILE 37 HB ILE 37 3.899 1.410 2.020 274 HG12 ILE 37 HG12 ILE 37 4.707 -0.640 4.073 275 HG13 ILE 37 HG13 ILE 37 3.140 0.095 3.840 276 HG21 ILE 37 HG21 ILE 37 5.931 1.160 0.860 277 HG22 ILE 37 HG22 ILE 37 5.230 -0.456 0.981 278 HG23 ILE 37 HG23 ILE 37 6.554 0.016 2.047 279 HD11 ILE 37 HD11 ILE 37 2.876 -1.109 1.740 280 HD12 ILE 37 HD12 ILE 37 3.141 -2.206 3.092 281 HD13 ILE 37 HD13 ILE 37 4.455 -1.857 1.970 282 H GLU 38 H GLU 38 4.006 3.933 2.993 283 HA GLU 38 HA GLU 38 2.625 3.915 5.591 284 HB2 GLU 38 HB2 GLU 38 3.516 6.165 3.826 285 HB3 GLU 38 HB3 GLU 38 2.205 6.396 4.980 286 HG2 GLU 38 HG2 GLU 38 3.847 5.483 6.722 287 HG3 GLU 38 HG3 GLU 38 5.087 5.783 5.505 288 H GLU 39 H GLU 39 0.520 3.664 5.623 289 HA GLU 39 HA GLU 39 -0.976 3.327 3.199 290 HB2 GLU 39 HB2 GLU 39 -1.198 2.031 5.402 291 HB3 GLU 39 HB3 GLU 39 -2.063 3.426 6.014 292 HG2 GLU 39 HG2 GLU 39 -2.915 1.987 3.529 293 HG3 GLU 39 HG3 GLU 39 -3.417 1.464 5.133 294 H LEU 40 H LEU 40 -1.856 4.930 2.118 295 HA LEU 40 HA LEU 40 -1.804 7.594 3.247 296 HB2 LEU 40 HB2 LEU 40 -2.517 6.663 0.479 297 HB3 LEU 40 HB3 LEU 40 -2.294 8.331 0.961 298 HG LEU 40 HG LEU 40 -0.154 6.206 0.959 299 HD11 LEU 40 HD11 LEU 40 -0.648 8.527 -0.879 300 HD12 LEU 40 HD12 LEU 40 -0.754 6.812 -1.277 301 HD13 LEU 40 HD13 LEU 40 0.804 7.527 -0.870 302 HD21 LEU 40 HD21 LEU 40 0.228 7.832 2.721 303 HD22 LEU 40 HD22 LEU 40 -0.013 9.154 1.578 304 HD23 LEU 40 HD23 LEU 40 1.375 8.081 1.405 Start of MODEL 20 1 H1 GLY -1 H1 GLY -1 -17.858 4.107 1.378 2 H2 GLY -1 H2 GLY -1 -18.983 4.326 2.617 3 H3 GLY -1 H3 GLY -1 -18.215 5.663 1.930 4 HA2 GLY -1 HA3 GLY -1 -20.459 5.495 1.104 5 HA3 GLY -1 HA2 GLY -1 -19.291 5.236 -0.183 6 H SER 0 H SER 0 -22.109 4.333 0.160 7 HA SER 0 HA SER 0 -22.133 1.551 0.657 8 HB2 SER 0 HB2 SER 0 -24.056 3.226 -0.976 9 HB3 SER 0 HB3 SER 0 -24.371 1.606 -0.350 10 HG SER 0 HG SER 0 -23.929 2.572 1.780 11 H MET 1 H MET 1 -21.958 -0.176 -0.659 12 HA MET 1 HA MET 1 -21.329 -1.474 -2.392 13 HB2 MET 1 HB2 MET 1 -22.216 0.912 -4.005 14 HB3 MET 1 HB3 MET 1 -21.586 -0.548 -4.751 15 HG2 MET 1 HG2 MET 1 -23.895 -0.795 -4.843 16 HG3 MET 1 HG3 MET 1 -23.407 -1.789 -3.475 17 HE1 MET 1 HE1 MET 1 -25.513 2.304 -3.185 18 HE2 MET 1 HE2 MET 1 -25.210 1.435 -4.689 19 HE3 MET 1 HE3 MET 1 -23.865 2.136 -3.788 20 H ALA 2 H ALA 2 -19.620 0.903 -1.224 21 HA ALA 2 HA ALA 2 -17.384 0.507 -3.101 22 HB1 ALA 2 HB1 ALA 2 -17.943 2.934 -1.398 23 HB2 ALA 2 HB2 ALA 2 -18.177 2.817 -3.143 24 HB3 ALA 2 HB3 ALA 2 -16.555 2.715 -2.462 25 H GLU 3 H GLU 3 -18.544 0.137 0.078 26 HA GLU 3 HA GLU 3 -15.962 0.200 1.357 27 HB2 GLU 3 HB2 GLU 3 -18.075 0.929 2.497 28 HB3 GLU 3 HB3 GLU 3 -18.591 -0.750 2.488 29 HG2 GLU 3 HG2 GLU 3 -16.583 -1.326 3.793 30 HG3 GLU 3 HG3 GLU 3 -16.216 0.393 3.920 31 H ALA 4 H ALA 4 -15.256 -1.477 -0.301 32 HA ALA 4 HA ALA 4 -15.615 -4.140 0.916 33 HB1 ALA 4 HB1 ALA 4 -16.592 -4.061 -1.329 34 HB2 ALA 4 HB2 ALA 4 -15.193 -5.134 -1.274 35 HB3 ALA 4 HB3 ALA 4 -15.044 -3.526 -1.984 36 H SER 5 H SER 5 -13.700 -1.826 1.295 37 HA SER 5 HA SER 5 -11.231 -3.354 0.937 38 HB2 SER 5 HB2 SER 5 -10.091 -1.174 0.445 39 HB3 SER 5 HB3 SER 5 -11.228 -1.687 -0.800 40 HG SER 5 HG SER 5 -11.878 0.118 1.295 41 HA PRO 6 HA PRO 6 -11.148 -2.166 5.376 42 HB2 PRO 6 HB2 PRO 6 -9.394 -4.529 5.449 43 HB3 PRO 6 HB3 PRO 6 -10.820 -4.171 6.426 44 HG2 PRO 6 HG2 PRO 6 -10.842 -6.083 4.535 45 HG3 PRO 6 HG3 PRO 6 -12.271 -5.092 4.885 46 HD2 PRO 6 HD2 PRO 6 -10.303 -4.858 2.638 47 HD3 PRO 6 HD3 PRO 6 -12.071 -4.681 2.611 48 H HIS 7 H HIS 7 -8.820 -3.195 3.017 49 HA HIS 7 HA HIS 7 -6.989 -1.087 3.922 50 HB2 HIS 7 HB2 HIS 7 -5.150 -2.473 2.856 51 HB3 HIS 7 HB3 HIS 7 -5.804 -3.116 4.346 52 HD1 HIS 7 HD1 HIS 7 -5.851 -3.734 0.620 53 HD2 HIS 7 HD2 HIS 7 -6.907 -5.633 4.162 54 HE1 HIS 7 HE1 HIS 7 -6.428 -6.091 -0.022 55 HE2 HIS 7 HE2 HIS 7 -7.206 -7.176 2.111 56 HA PRO 8 HA PRO 8 -8.104 0.479 -0.008 57 HB2 PRO 8 HB2 PRO 8 -6.305 2.520 -0.170 58 HB3 PRO 8 HB3 PRO 8 -7.755 2.566 0.833 59 HG2 PRO 8 HG2 PRO 8 -4.929 2.176 1.608 60 HG3 PRO 8 HG3 PRO 8 -6.266 2.872 2.532 61 HD2 PRO 8 HD2 PRO 8 -5.208 0.303 2.822 62 HD3 PRO 8 HD3 PRO 8 -6.746 0.877 3.480 63 H GLY 9 H GLY 9 -4.585 1.000 0.102 64 HA2 GLY 9 HA2 GLY 9 -3.402 -0.920 -1.224 65 HA3 GLY 9 HA3 GLY 9 -4.393 -0.279 -2.530 66 H ARG 10 H ARG 10 -4.235 2.434 -1.657 67 HA ARG 10 HA ARG 10 -1.814 3.253 -2.859 68 HB2 ARG 10 HB2 ARG 10 -2.524 5.535 -2.014 69 HB3 ARG 10 HB3 ARG 10 -3.660 4.712 -3.073 70 HG2 ARG 10 HG2 ARG 10 -5.131 4.239 -1.340 71 HG3 ARG 10 HG3 ARG 10 -3.905 4.495 -0.098 72 HD2 ARG 10 HD2 ARG 10 -4.756 6.538 0.135 73 HD3 ARG 10 HD3 ARG 10 -4.029 6.914 -1.423 74 HE ARG 10 HE ARG 10 -6.290 6.022 -2.310 75 HH11 ARG 10 HH11 ARG 10 -5.825 7.808 0.669 76 HH12 ARG 10 HH12 ARG 10 -7.382 8.581 0.598 77 HH21 ARG 10 HH21 ARG 10 -8.351 7.024 -2.400 78 HH22 ARG 10 HH22 ARG 10 -8.814 8.144 -1.158 79 H TYR 11 H TYR 11 0.051 2.817 -1.905 80 HA TYR 11 HA TYR 11 0.408 3.728 0.869 81 HB2 TYR 11 HB2 TYR 11 1.366 1.230 -0.465 82 HB3 TYR 11 HB3 TYR 11 2.363 1.972 0.777 83 HD1 TYR 11 HD1 TYR 11 -1.223 0.989 0.278 84 HD2 TYR 11 HD2 TYR 11 2.110 1.235 2.904 85 HE1 TYR 11 HE1 TYR 11 -2.523 -0.146 2.032 86 HE2 TYR 11 HE2 TYR 11 0.836 0.107 4.659 87 HH TYR 11 HH TYR 11 -1.382 -0.389 5.302 88 H PHE 12 H PHE 12 2.650 4.318 1.366 89 HA PHE 12 HA PHE 12 4.122 5.240 -1.003 90 HB2 PHE 12 HB2 PHE 12 2.819 7.021 0.301 91 HB3 PHE 12 HB3 PHE 12 4.015 6.791 1.574 92 HD1 PHE 12 HD1 PHE 12 3.410 7.956 -1.817 93 HD2 PHE 12 HD2 PHE 12 6.269 7.582 1.304 94 HE1 PHE 12 HE1 PHE 12 4.901 9.520 -3.005 95 HE2 PHE 12 HE2 PHE 12 7.770 9.148 0.129 96 HZ PHE 12 HZ PHE 12 7.080 10.121 -2.027 97 H CYS 13 H CYS 13 5.941 4.139 -1.072 98 HA CYS 13 HA CYS 13 7.017 2.841 1.252 99 HB2 CYS 13 HB2 CYS 13 7.167 1.637 -0.796 100 HB3 CYS 13 HB3 CYS 13 7.896 3.002 -1.624 101 H HIS 14 H HIS 14 8.606 3.486 2.535 102 HA HIS 14 HA HIS 14 9.597 6.155 2.355 103 HB2 HIS 14 HB2 HIS 14 9.970 3.860 4.228 104 HB3 HIS 14 HB3 HIS 14 11.138 5.176 4.283 105 HD1 HIS 14 HD1 HIS 14 10.418 6.105 6.535 106 HD2 HIS 14 HD2 HIS 14 7.298 5.846 3.803 107 HE1 HIS 14 HE1 HIS 14 8.509 7.366 7.570 108 HE2 HIS 14 HE2 HIS 14 6.698 7.347 5.824 109 H CYS 15 H CYS 15 10.807 3.041 1.426 110 HA CYS 15 HA CYS 15 13.536 3.836 1.100 111 HB2 CYS 15 HB2 CYS 15 13.039 1.515 1.483 112 HB3 CYS 15 HB3 CYS 15 11.957 1.461 0.104 113 HG CYS 15 HG CYS 15 15.266 1.069 0.226 114 H CYS 16 H CYS 16 10.848 3.233 -1.121 115 HA CYS 16 HA CYS 16 12.434 4.044 -3.397 116 HB2 CYS 16 HB2 CYS 16 9.521 3.265 -3.213 117 HB3 CYS 16 HB3 CYS 16 10.393 3.568 -4.705 118 H SER 17 H SER 17 10.411 5.514 -1.153 119 HA SER 17 HA SER 17 9.252 7.426 -0.946 120 HB2 SER 17 HB2 SER 17 10.338 9.474 -1.763 121 HB3 SER 17 HB3 SER 17 11.484 8.389 -0.983 122 HG SER 17 HG SER 17 11.667 7.663 -3.409 123 H VAL 18 H VAL 18 8.147 5.735 -2.780 124 HA VAL 18 HA VAL 18 6.781 7.637 -4.541 125 HB VAL 18 HB VAL 18 6.647 6.024 -6.352 126 HG11 VAL 18 HG11 VAL 18 8.963 6.037 -7.108 127 HG12 VAL 18 HG12 VAL 18 9.500 6.416 -5.471 128 HG13 VAL 18 HG13 VAL 18 8.522 7.579 -6.370 129 HG21 VAL 18 HG21 VAL 18 8.371 4.267 -4.620 130 HG22 VAL 18 HG22 VAL 18 7.985 3.954 -6.310 131 HG23 VAL 18 HG23 VAL 18 6.702 3.966 -5.100 132 H GLU 19 H GLU 19 4.711 6.753 -5.321 133 HA GLU 19 HA GLU 19 3.305 5.524 -3.104 134 HB2 GLU 19 HB2 GLU 19 2.470 7.525 -4.461 135 HB3 GLU 19 HB3 GLU 19 2.135 6.382 -5.754 136 HG2 GLU 19 HG2 GLU 19 1.022 5.512 -3.230 137 HG3 GLU 19 HG3 GLU 19 0.438 7.109 -3.696 138 H ILE 20 H ILE 20 2.602 3.475 -3.048 139 HA ILE 20 HA ILE 20 2.991 1.763 -5.416 140 HB ILE 20 HB ILE 20 3.970 0.017 -3.938 141 HG12 ILE 20 HG12 ILE 20 4.813 1.868 -1.859 142 HG13 ILE 20 HG13 ILE 20 3.067 1.660 -1.900 143 HG21 ILE 20 HG21 ILE 20 6.208 1.028 -3.728 144 HG22 ILE 20 HG22 ILE 20 5.501 2.607 -4.072 145 HG23 ILE 20 HG23 ILE 20 5.461 1.335 -5.294 146 HD11 ILE 20 HD11 ILE 20 5.133 -0.502 -1.613 147 HD12 ILE 20 HD12 ILE 20 3.396 -0.777 -1.765 148 HD13 ILE 20 HD13 ILE 20 4.033 0.095 -0.369 149 H VAL 21 H VAL 21 1.990 -0.340 -5.188 150 HA VAL 21 HA VAL 21 -0.142 -0.459 -3.159 151 HB VAL 21 HB VAL 21 -1.205 -0.436 -5.288 152 HG11 VAL 21 HG11 VAL 21 0.714 -2.584 -6.170 153 HG12 VAL 21 HG12 VAL 21 0.749 -0.891 -6.665 154 HG13 VAL 21 HG13 VAL 21 -0.610 -1.919 -7.129 155 HG21 VAL 21 HG21 VAL 21 -2.131 -2.074 -3.775 156 HG22 VAL 21 HG22 VAL 21 -0.984 -3.288 -4.341 157 HG23 VAL 21 HG23 VAL 21 -2.228 -2.674 -5.430 158 HA PRO 22 HA PRO 22 2.849 -3.329 -1.527 159 HB2 PRO 22 HB2 PRO 22 0.695 -3.916 0.409 160 HB3 PRO 22 HB3 PRO 22 2.337 -3.347 0.693 161 HG2 PRO 22 HG2 PRO 22 0.264 -1.712 0.988 162 HG3 PRO 22 HG3 PRO 22 1.785 -1.138 0.280 163 HD2 PRO 22 HD2 PRO 22 -0.766 -1.902 -1.086 164 HD3 PRO 22 HD3 PRO 22 0.311 -0.525 -1.397 165 H ARG 23 H ARG 23 3.255 -5.467 -1.562 166 HA ARG 23 HA ARG 23 1.357 -7.299 -2.688 167 HB2 ARG 23 HB2 ARG 23 4.003 -7.820 -1.301 168 HB3 ARG 23 HB3 ARG 23 3.081 -9.008 -2.205 169 HG2 ARG 23 HG2 ARG 23 3.387 -7.681 -4.244 170 HG3 ARG 23 HG3 ARG 23 4.344 -6.517 -3.327 171 HD2 ARG 23 HD2 ARG 23 5.921 -8.337 -2.758 172 HD3 ARG 23 HD3 ARG 23 4.995 -9.426 -3.785 173 HE ARG 23 HE ARG 23 5.663 -7.250 -5.357 174 HH11 ARG 23 HH11 ARG 23 7.324 -9.791 -3.626 175 HH12 ARG 23 HH12 ARG 23 8.711 -9.772 -4.667 176 HH21 ARG 23 HH21 ARG 23 7.504 -7.207 -6.729 177 HH22 ARG 23 HH22 ARG 23 8.817 -8.302 -6.429 178 H LEU 24 H LEU 24 -0.377 -7.754 -1.491 179 HA LEU 24 HA LEU 24 -0.638 -7.013 1.150 180 HB2 LEU 24 HB2 LEU 24 -2.271 -8.013 -0.900 181 HB3 LEU 24 HB3 LEU 24 -2.593 -8.963 0.532 182 HG LEU 24 HG LEU 24 -4.084 -7.010 0.306 183 HD11 LEU 24 HD11 LEU 24 -3.627 -7.970 2.502 184 HD12 LEU 24 HD12 LEU 24 -3.869 -6.225 2.596 185 HD13 LEU 24 HD13 LEU 24 -2.240 -6.896 2.680 186 HD21 LEU 24 HD21 LEU 24 -1.584 -5.395 0.776 187 HD22 LEU 24 HD22 LEU 24 -3.231 -4.774 0.651 188 HD23 LEU 24 HD23 LEU 24 -2.455 -5.504 -0.753 189 HA PRO 25 HA PRO 25 -0.442 -11.817 2.341 190 HB2 PRO 25 HB2 PRO 25 1.820 -12.393 0.487 191 HB3 PRO 25 HB3 PRO 25 0.556 -13.474 1.079 192 HG2 PRO 25 HG2 PRO 25 0.412 -12.527 -1.368 193 HG3 PRO 25 HG3 PRO 25 -1.047 -12.564 -0.357 194 HD2 PRO 25 HD2 PRO 25 0.730 -10.253 -1.041 195 HD3 PRO 25 HD3 PRO 25 -1.036 -10.323 -0.930 196 H ASP 26 H ASP 26 2.253 -9.728 1.431 197 HA ASP 26 HA ASP 26 3.577 -10.478 3.960 198 HB2 ASP 26 HB2 ASP 26 4.756 -9.692 1.309 199 HB3 ASP 26 HB3 ASP 26 5.692 -9.606 2.797 200 H TYR 27 H TYR 27 2.031 -8.013 2.310 201 HA TYR 27 HA TYR 27 1.782 -5.783 2.558 202 HB2 TYR 27 HB2 TYR 27 2.375 -6.735 5.291 203 HB3 TYR 27 HB3 TYR 27 2.566 -5.007 5.026 204 HD1 TYR 27 HD2 TYR 27 0.426 -4.329 3.201 205 HD2 TYR 27 HD1 TYR 27 0.404 -7.058 6.466 206 HE1 TYR 27 HE2 TYR 27 -1.996 -4.006 3.447 207 HE2 TYR 27 HE1 TYR 27 -2.021 -6.739 6.719 208 HH TYR 27 HH TYR 27 -3.703 -4.830 6.112 209 H ILE 28 H ILE 28 4.164 -6.558 1.318 210 HA ILE 28 HA ILE 28 6.059 -4.551 2.322 211 HB ILE 28 HB ILE 28 7.737 -5.744 0.842 212 HG12 ILE 28 HG12 ILE 28 5.657 -7.938 0.961 213 HG13 ILE 28 HG13 ILE 28 6.057 -7.015 -0.479 214 HG21 ILE 28 HG21 ILE 28 8.198 -7.460 2.524 215 HG22 ILE 28 HG22 ILE 28 6.590 -7.222 3.205 216 HG23 ILE 28 HG23 ILE 28 7.774 -5.915 3.259 217 HD11 ILE 28 HD11 ILE 28 8.326 -7.903 -0.420 218 HD12 ILE 28 HD12 ILE 28 7.126 -9.194 -0.491 219 HD13 ILE 28 HD13 ILE 28 7.929 -8.818 1.034 220 H CYS 29 H CYS 29 7.614 -4.123 0.237 221 HA CYS 29 HA CYS 29 5.954 -2.462 -1.475 222 HB2 CYS 29 HB2 CYS 29 8.025 -1.630 -0.350 223 HB3 CYS 29 HB3 CYS 29 8.960 -2.778 -1.283 224 HA PRO 30 HA PRO 30 6.272 -5.421 -4.782 225 HB2 PRO 30 HB2 PRO 30 5.416 -3.883 -6.831 226 HB3 PRO 30 HB3 PRO 30 4.318 -4.480 -5.582 227 HG2 PRO 30 HG2 PRO 30 5.525 -1.774 -5.913 228 HG3 PRO 30 HG3 PRO 30 3.903 -2.219 -5.358 229 HD2 PRO 30 HD2 PRO 30 5.995 -1.496 -3.710 230 HD3 PRO 30 HD3 PRO 30 4.591 -2.457 -3.195 231 H ARG 31 H ARG 31 7.920 -2.421 -4.629 232 HA ARG 31 HA ARG 31 9.626 -2.996 -6.900 233 HB2 ARG 31 HB2 ARG 31 10.092 -0.720 -5.024 234 HB3 ARG 31 HB3 ARG 31 10.362 -0.806 -6.755 235 HG2 ARG 31 HG2 ARG 31 7.657 -1.096 -6.568 236 HG3 ARG 31 HG3 ARG 31 8.011 0.013 -5.249 237 HD2 ARG 31 HD2 ARG 31 7.574 1.292 -7.208 238 HD3 ARG 31 HD3 ARG 31 9.287 1.411 -6.838 239 HE ARG 31 HE ARG 31 8.777 -0.687 -8.686 240 HH11 ARG 31 HH11 ARG 31 9.073 2.789 -8.451 241 HH12 ARG 31 HH12 ARG 31 9.506 2.997 -10.115 242 HH21 ARG 31 HH21 ARG 31 9.366 -0.422 -10.880 243 HH22 ARG 31 HH22 ARG 31 9.677 1.168 -11.499 244 H CYS 32 H CYS 32 10.114 -2.330 -3.389 245 HA CYS 32 HA CYS 32 12.781 -3.516 -3.745 246 HB2 CYS 32 HB2 CYS 32 13.617 -2.088 -1.998 247 HB3 CYS 32 HB3 CYS 32 12.774 -1.101 -3.184 248 H GLU 33 H GLU 33 9.836 -4.128 -2.346 249 HA GLU 33 HA GLU 33 9.048 -5.656 -0.858 250 HB2 GLU 33 HB2 GLU 33 11.752 -6.903 -1.362 251 HB3 GLU 33 HB3 GLU 33 10.384 -7.714 -0.618 252 HG2 GLU 33 HG2 GLU 33 9.117 -7.583 -2.634 253 HG3 GLU 33 HG3 GLU 33 10.336 -6.556 -3.389 254 H SER 34 H SER 34 10.063 -3.410 0.379 255 HA SER 34 HA SER 34 11.878 -4.234 2.480 256 HB2 SER 34 HB2 SER 34 12.442 -2.124 1.649 257 HB3 SER 34 HB3 SER 34 10.762 -1.604 1.558 258 HG SER 34 HG SER 34 12.501 -1.199 3.518 259 H GLY 35 H GLY 35 8.690 -2.620 2.399 260 HA2 GLY 35 HA2 GLY 35 6.912 -3.519 3.826 261 HA3 GLY 35 HA3 GLY 35 8.162 -3.814 5.023 262 H PHE 36 H PHE 36 9.487 -1.250 4.387 263 HA PHE 36 HA PHE 36 8.054 0.447 6.167 264 HB2 PHE 36 HB2 PHE 36 10.537 0.732 4.520 265 HB3 PHE 36 HB3 PHE 36 9.815 2.160 5.251 266 HD1 PHE 36 HD2 PHE 36 10.625 -1.339 6.293 267 HD2 PHE 36 HD1 PHE 36 10.708 2.809 7.227 268 HE1 PHE 36 HE2 PHE 36 11.734 -1.851 8.430 269 HE2 PHE 36 HE1 PHE 36 11.813 2.308 9.370 270 HZ PHE 36 HZ PHE 36 12.328 -0.023 9.973 271 H ILE 37 H ILE 37 6.025 0.680 5.221 272 HA ILE 37 HA ILE 37 5.923 2.600 3.012 273 HB ILE 37 HB ILE 37 3.952 1.390 2.092 274 HG12 ILE 37 HG12 ILE 37 4.781 -0.669 4.138 275 HG13 ILE 37 HG13 ILE 37 3.213 0.080 3.945 276 HG21 ILE 37 HG21 ILE 37 6.029 1.161 0.965 277 HG22 ILE 37 HG22 ILE 37 5.296 -0.443 1.041 278 HG23 ILE 37 HG23 ILE 37 6.607 -0.019 2.143 279 HD11 ILE 37 HD11 ILE 37 4.472 -1.840 2.003 280 HD12 ILE 37 HD12 ILE 37 2.868 -1.120 1.868 281 HD13 ILE 37 HD13 ILE 37 3.225 -2.236 3.185 282 H GLU 38 H GLU 38 4.032 3.887 2.960 283 HA GLU 38 HA GLU 38 2.684 4.050 5.565 284 HB2 GLU 38 HB2 GLU 38 3.419 6.202 3.607 285 HB3 GLU 38 HB3 GLU 38 2.375 6.467 4.998 286 HG2 GLU 38 HG2 GLU 38 5.256 5.611 5.035 287 HG3 GLU 38 HG3 GLU 38 4.598 7.170 5.508 288 H GLU 39 H GLU 39 0.538 3.816 5.593 289 HA GLU 39 HA GLU 39 -0.880 3.462 3.097 290 HB2 GLU 39 HB2 GLU 39 -1.214 1.981 5.092 291 HB3 GLU 39 HB3 GLU 39 -1.942 3.339 5.927 292 HG2 GLU 39 HG2 GLU 39 -3.110 2.687 3.306 293 HG3 GLU 39 HG3 GLU 39 -3.317 1.471 4.565 294 H LEU 40 H LEU 40 -1.716 5.098 2.052 295 HA LEU 40 HA LEU 40 -1.708 7.716 3.237 296 HB2 LEU 40 HB2 LEU 40 -2.504 6.819 0.476 297 HB3 LEU 40 HB3 LEU 40 -2.298 8.485 0.976 298 HG LEU 40 HG LEU 40 -0.104 6.408 0.891 299 HD11 LEU 40 HD11 LEU 40 -0.695 8.718 -0.940 300 HD12 LEU 40 HD12 LEU 40 -0.828 7.001 -1.329 301 HD13 LEU 40 HD13 LEU 40 0.751 7.708 -0.989 302 HD21 LEU 40 HD21 LEU 40 -0.014 9.364 1.474 303 HD22 LEU 40 HD22 LEU 40 1.389 8.317 1.276 304 HD23 LEU 40 HD23 LEU 40 0.285 8.063 2.626
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