NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16405 | 2a2b | 6737 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 -20.466 4.490 10.352 2 HA ALA 1 HA ALA 1 -18.359 5.043 12.325 3 1HB ALA 1 1HB ALA 1 -20.399 4.593 13.914 4 2HB ALA 1 2HB ALA 1 -20.268 6.162 13.083 5 3HB ALA 1 3HB ALA 1 -21.372 4.913 12.458 6 H ARG 2 H ARG 2 -17.547 3.337 13.570 7 HA ARG 2 HA ARG 2 -18.796 0.779 13.284 8 2HB ARG 2 2HB ARG 2 -16.456 -0.232 12.684 9 2HG ARG 2 2HG ARG 2 -18.004 1.446 10.655 10 2HD ARG 2 2HD ARG 2 -16.285 -1.000 10.079 11 HE ARG 2 HE ARG 2 -18.038 0.588 8.493 12 1HH1 ARG 2 2HH2 ARG 2 -14.762 -0.691 8.362 13 2HH1 ARG 2 1HH2 ARG 2 -14.722 -0.762 6.632 14 1HH2 ARG 2 2HH1 ARG 2 -17.985 0.495 6.210 15 2HH2 ARG 2 1HH1 ARG 2 -16.568 -0.083 5.399 16 H SER 3 H SER 3 -17.110 -0.911 14.528 17 HA SER 3 HA SER 3 -15.493 0.215 16.488 18 2HB SER 3 2HB SER 3 -17.142 -0.660 18.414 19 HG SER 3 HG SER 3 -17.940 1.543 18.604 20 H TYR 4 H TYR 4 -15.119 -1.815 14.641 21 HA TYR 4 HA TYR 4 -15.760 -4.370 15.747 22 2HB TYR 4 2HB TYR 4 -13.755 -4.745 13.890 23 HD1 TYR 4 1HD TYR 4 -15.263 -6.601 13.434 24 HD2 TYR 4 2HD TYR 4 -16.416 -2.578 12.548 25 HE1 TYR 4 1HE TYR 4 -17.193 -7.458 12.018 26 HE2 TYR 4 2HE TYR 4 -18.343 -3.449 11.135 27 HH TYR 4 HH TYR 4 -19.224 -5.213 10.191 28 H GLY 5 H GLY 5 -13.217 -1.995 16.195 29 1HA GLY 5 1HA GLY 5 -11.986 -3.622 18.216 30 2HA GLY 5 2HA GLY 5 -10.991 -3.458 16.782 31 H ASN 6 H ASN 6 -9.412 -1.976 17.257 32 HA ASN 6 HA ASN 6 -10.253 0.387 18.717 33 2HB ASN 6 2HB ASN 6 -7.940 0.667 19.336 34 1HD2 ASN 6 1HD2 ASN 6 -7.197 -2.492 18.282 35 2HD2 ASN 6 2HD2 ASN 6 -7.581 -3.371 19.725 36 H GLY 7 H GLY 7 -11.294 1.124 16.577 37 1HA GLY 7 1HA GLY 7 -10.428 3.164 15.316 38 2HA GLY 7 2HA GLY 7 -9.303 2.028 14.598 39 H VAL 8 H VAL 8 -9.932 0.838 12.819 40 HA VAL 8 HA VAL 8 -11.215 -0.007 11.227 41 HB VAL 8 HB VAL 8 -13.557 0.388 13.096 42 1HG1 VAL 8 1HG1 VAL 8 -13.301 -0.688 10.436 43 2HG1 VAL 8 2HG1 VAL 8 -13.786 -1.980 11.560 44 3HG1 VAL 8 3HG1 VAL 8 -14.759 -0.496 11.438 45 1HG2 VAL 8 1HG2 VAL 8 -11.273 -1.108 13.631 46 2HG2 VAL 8 2HG2 VAL 8 -12.871 -1.307 14.391 47 3HG2 VAL 8 3HG2 VAL 8 -12.424 -2.303 12.986 48 H TYR 9 H TYR 9 -13.313 2.500 12.829 49 HA TYR 9 HA TYR 9 -13.832 3.639 10.212 50 2HB TYR 9 2HB TYR 9 -15.676 3.335 11.838 51 HD1 TYR 9 1HD TYR 9 -15.218 2.138 13.895 52 HD2 TYR 9 2HD TYR 9 -14.241 6.288 13.530 53 HE1 TYR 9 1HE TYR 9 -14.882 2.287 16.410 54 HE2 TYR 9 2HE TYR 9 -13.909 6.423 16.046 55 HH TYR 9 HH TYR 9 -15.086 4.364 18.132 56 H CYS 10 H CYS 10 -11.078 3.821 11.145 57 HA CYS 10 HA CYS 10 -9.466 5.312 11.181 58 2HB CYS 10 2HB CYS 10 -9.900 7.681 10.583 59 H ASN 11 H ASN 11 -8.724 7.402 12.518 60 HA ASN 11 HA ASN 11 -9.402 6.840 15.178 61 2HB ASN 11 2HB ASN 11 -7.885 9.226 13.994 62 1HD2 ASN 11 1HD2 ASN 11 -7.807 10.770 15.431 63 2HD2 ASN 11 2HD2 ASN 11 -7.613 10.603 17.144 64 H ASN 12 H ASN 12 -9.553 9.976 13.310 65 HA ASN 12 HA ASN 12 -12.238 10.405 14.051 66 2HB ASN 12 2HB ASN 12 -11.641 12.631 15.287 67 1HD2 ASN 12 1HD2 ASN 12 -9.597 10.409 16.911 68 2HD2 ASN 12 2HD2 ASN 12 -10.738 9.758 18.039 69 H LYS 13 H LYS 13 -9.241 12.442 13.580 70 HA LYS 13 HA LYS 13 -10.574 13.734 11.326 71 2HB LYS 13 2HB LYS 13 -9.675 15.113 13.208 72 2HG LYS 13 2HG LYS 13 -6.907 14.863 12.145 73 2HD LYS 13 2HD LYS 13 -7.373 14.580 15.040 74 2HE LYS 13 2HE LYS 13 -6.240 17.106 14.019 75 1HZ LYS 13 1HZ LYS 13 -5.191 14.856 15.589 76 2HZ LYS 13 2HZ LYS 13 -4.394 16.260 15.341 77 3HZ LYS 13 3HZ LYS 13 -5.794 16.253 16.182 78 H LYS 14 H LYS 14 -7.781 11.714 12.256 79 HA LYS 14 HA LYS 14 -6.632 11.889 9.629 80 2HB LYS 14 2HB LYS 14 -4.933 10.416 10.504 81 2HG LYS 14 2HG LYS 14 -5.861 12.787 12.044 82 2HD LYS 14 2HD LYS 14 -4.018 12.418 13.767 83 2HE LYS 14 2HE LYS 14 -6.480 10.622 13.719 84 1HZ LYS 14 1HZ LYS 14 -4.446 10.979 15.793 85 2HZ LYS 14 2HZ LYS 14 -5.979 10.555 16.164 86 3HZ LYS 14 3HZ LYS 14 -5.069 9.584 15.218 87 H CYS 15 H CYS 15 -5.916 8.935 9.704 88 HA CYS 15 HA CYS 15 -8.177 7.372 9.615 89 2HB CYS 15 2HB CYS 15 -7.980 7.316 6.881 90 H TRP 16 H TRP 16 -6.943 5.618 10.253 91 HA TRP 16 HA TRP 16 -4.402 5.170 8.893 92 2HB TRP 16 2HB TRP 16 -4.154 5.116 11.218 93 HD1 TRP 16 HD TRP 16 -7.102 2.587 10.683 94 HE1 TRP 16 1HE TRP 16 -8.638 2.502 12.828 95 HE3 TRP 16 3HE TRP 16 -4.340 5.853 13.431 96 HZ2 TRP 16 2HZ TRP 16 -8.527 3.782 15.375 97 HZ3 TRP 16 3HZ TRP 16 -5.124 6.382 15.739 98 HH2 TRP 16 HH TRP 16 -7.139 5.405 16.717 99 H VAL 17 H VAL 17 -3.931 2.877 8.183 100 HA VAL 17 HA VAL 17 -6.350 1.379 7.527 101 HB VAL 17 HB VAL 17 -5.281 1.025 5.226 102 1HG1 VAL 17 1HG1 VAL 17 -6.149 3.552 4.649 103 2HG1 VAL 17 2HG1 VAL 17 -7.214 2.151 4.919 104 3HG1 VAL 17 3HG1 VAL 17 -6.884 3.288 6.249 105 1HG2 VAL 17 1HG2 VAL 17 -3.718 3.408 6.222 106 2HG2 VAL 17 2HG2 VAL 17 -3.135 1.944 5.392 107 3HG2 VAL 17 3HG2 VAL 17 -4.046 3.178 4.487 108 H ASN 18 H ASN 18 -6.091 -0.811 7.784 109 HA ASN 18 HA ASN 18 -5.176 -2.649 8.494 110 2HB ASN 18 2HB ASN 18 -2.512 -2.371 7.256 111 1HD2 ASN 18 1HD2 ASN 18 -3.645 -3.565 4.782 112 2HD2 ASN 18 2HD2 ASN 18 -4.078 -5.194 5.178 113 H ARG 19 H ARG 19 -4.851 -2.201 10.754 114 HA ARG 19 HA ARG 19 -2.605 -0.694 11.574 115 2HB ARG 19 2HB ARG 19 -3.383 -1.536 13.906 116 2HG ARG 19 2HG ARG 19 -5.868 -0.433 12.869 117 2HD ARG 19 2HD ARG 19 -5.211 1.496 14.250 118 HE ARG 19 HE ARG 19 -5.276 -1.149 15.289 119 1HH1 ARG 19 2HH2 ARG 19 -4.073 2.025 16.220 120 2HH1 ARG 19 1HH2 ARG 19 -4.214 1.721 17.919 121 1HH2 ARG 19 2HH1 ARG 19 -5.463 -1.550 17.531 122 2HH2 ARG 19 1HH1 ARG 19 -5.010 -0.326 18.670 123 H GLY 20 H GLY 20 -3.653 -4.160 12.005 124 1HA GLY 20 1HA GLY 20 -1.365 -5.120 13.232 125 2HA GLY 20 2HA GLY 20 -2.472 -6.055 12.246 126 H GLU 21 H GLU 21 -2.218 -5.239 9.691 127 HA GLU 21 HA GLU 21 0.072 -6.395 8.836 128 2HB GLU 21 2HB GLU 21 -1.458 -4.205 7.366 129 2HG GLU 21 2HG GLU 21 -0.784 -6.239 5.588 130 HE2 GLU 21 HE2 GLU 21 1.671 -3.171 5.913 131 H ALA 22 H ALA 22 -0.603 -2.823 9.030 132 HA ALA 22 HA ALA 22 1.913 -1.993 8.223 133 1HB ALA 22 1HB ALA 22 1.251 0.147 9.097 134 2HB ALA 22 2HB ALA 22 -0.221 -0.639 8.478 135 3HB ALA 22 3HB ALA 22 0.100 -0.603 10.228 136 H THR 23 H THR 23 0.608 -2.693 11.530 137 HA THR 23 HA THR 23 2.870 -1.962 12.959 138 HB THR 23 HB THR 23 0.447 -3.703 13.328 139 HG1 THR 23 1HG THR 23 1.928 -1.698 14.880 140 1HG2 THR 23 1HG2 THR 23 3.036 -4.076 14.794 141 2HG2 THR 23 2HG2 THR 23 1.597 -3.842 15.815 142 3HG2 THR 23 3HG2 THR 23 1.652 -5.185 14.648 143 H GLN 24 H GLN 24 1.951 -5.364 12.083 144 HA GLN 24 HA GLN 24 4.335 -6.446 12.820 145 2HB GLN 24 2HB GLN 24 2.282 -7.733 12.256 146 2HG GLN 24 2HG GLN 24 2.875 -6.587 9.553 147 1HE2 GLN 24 1HE2 GLN 24 1.812 -7.610 7.700 148 2HE2 GLN 24 2HE2 GLN 24 1.934 -9.325 7.488 149 H SER 25 H SER 25 3.557 -4.470 10.029 150 HA SER 25 HA SER 25 5.438 -5.352 8.245 151 2HB SER 25 2HB SER 25 5.076 -2.403 8.371 152 HG SER 25 HG SER 25 4.162 -2.930 6.192 153 H ILE 26 H ILE 26 7.655 -4.878 7.882 154 HA ILE 26 HA ILE 26 9.229 -4.439 10.111 155 HB ILE 26 HB ILE 26 11.050 -4.094 8.420 156 2HG1 ILE 26 2HG1 ILE 26 8.720 -3.786 6.663 157 1HG2 ILE 26 1HG2 ILE 26 10.215 -6.314 9.355 158 2HG2 ILE 26 2HG2 ILE 26 9.365 -6.522 7.805 159 3HG2 ILE 26 3HG2 ILE 26 11.138 -6.370 7.835 160 1HD1 ILE 26 1HD1 ILE 26 10.192 -2.001 6.497 161 2HD1 ILE 26 2HD1 ILE 26 11.620 -3.013 6.819 162 3HD1 ILE 26 3HD1 ILE 26 10.857 -3.036 5.210 163 H ILE 27 H ILE 27 8.075 -2.163 7.560 164 HA ILE 27 HA ILE 27 9.541 0.039 8.301 165 HB ILE 27 HB ILE 27 7.991 -0.356 6.313 166 2HG1 ILE 27 2HG1 ILE 27 9.106 1.915 7.410 167 1HG2 ILE 27 1HG2 ILE 27 5.723 0.772 6.660 168 2HG2 ILE 27 2HG2 ILE 27 5.920 -0.883 7.283 169 3HG2 ILE 27 3HG2 ILE 27 5.987 0.502 8.399 170 1HD1 ILE 27 1HD1 ILE 27 9.215 2.595 5.207 171 2HD1 ILE 27 2HD1 ILE 27 8.700 0.916 4.922 172 3HD1 ILE 27 3HD1 ILE 27 7.501 2.231 4.900 173 H GLY 28 H GLY 28 6.629 -1.407 9.786 174 1HA GLY 28 1HA GLY 28 5.645 -1.035 11.772 175 2HA GLY 28 2HA GLY 28 7.125 -0.255 12.293 176 H GLY 29 H GLY 29 3.875 0.209 10.987 177 1HA GLY 29 1HA GLY 29 4.121 3.006 10.460 178 2HA GLY 29 2HA GLY 29 2.649 2.060 10.564 179 H MET 30 H MET 30 2.516 1.066 13.094 180 HA MET 30 HA MET 30 1.728 3.248 14.565 181 2HB MET 30 2HB MET 30 2.057 1.338 16.492 182 2HG MET 30 2HG MET 30 -0.002 0.214 14.916 183 1HE MET 30 1HE MET 30 -0.010 -0.593 17.465 184 2HE MET 30 2HE MET 30 -1.416 0.073 18.332 185 3HE MET 30 3HE MET 30 -1.590 -0.493 16.653 186 H ILE 31 H ILE 31 4.698 1.184 14.915 187 HA ILE 31 HA ILE 31 5.766 2.495 17.096 188 HB ILE 31 HB ILE 31 6.570 0.372 16.329 189 2HG1 ILE 31 2HG1 ILE 31 8.117 1.722 17.631 190 1HG2 ILE 31 1HG2 ILE 31 8.016 1.528 13.987 191 2HG2 ILE 31 2HG2 ILE 31 7.415 -0.123 14.267 192 3HG2 ILE 31 3HG2 ILE 31 6.281 1.173 13.820 193 1HD1 ILE 31 1HD1 ILE 31 9.359 0.214 15.290 194 2HD1 ILE 31 2HD1 ILE 31 10.304 0.819 16.672 195 3HD1 ILE 31 3HD1 ILE 31 9.034 -0.402 16.929 196 H SER 32 H SER 32 6.369 3.094 13.563 197 HA SER 32 HA SER 32 8.130 5.075 13.717 198 2HB SER 32 2HB SER 32 5.676 4.948 11.909 199 HG SER 32 HG SER 32 7.454 6.931 12.111 200 H GLY 33 H GLY 33 4.645 5.236 14.512 201 1HA GLY 33 1HA GLY 33 4.502 8.078 14.701 202 2HA GLY 33 2HA GLY 33 3.346 6.907 15.302 203 H TRP 34 H TRP 34 5.069 5.362 17.025 204 HA TRP 34 HA TRP 34 4.913 6.862 19.355 205 2HB TRP 34 2HB TRP 34 6.700 4.475 18.875 206 HD1 TRP 34 HD TRP 34 4.446 6.201 21.577 207 HE1 TRP 34 1HE TRP 34 5.376 5.709 23.997 208 HE3 TRP 34 3HE TRP 34 8.258 3.191 20.071 209 HZ2 TRP 34 2HZ TRP 34 7.552 4.150 24.988 210 HZ3 TRP 34 3HZ TRP 34 9.738 2.225 21.829 211 HH2 TRP 34 HH TRP 34 9.434 2.661 24.215 212 H ALA 35 H ALA 35 7.801 5.916 17.347 213 HA ALA 35 HA ALA 35 9.637 7.411 18.821 214 1HB ALA 35 1HB ALA 35 11.129 6.961 16.993 215 2HB ALA 35 2HB ALA 35 10.064 5.543 17.150 216 3HB ALA 35 3HB ALA 35 9.774 6.736 15.860 217 H SER 36 H SER 36 7.447 8.232 16.101 218 HA SER 36 HA SER 36 8.627 10.681 15.527 219 2HB SER 36 2HB SER 36 5.952 11.003 14.855 220 HG SER 36 HG SER 36 6.696 10.679 12.838 221 H GLY 37 H GLY 37 6.238 9.602 17.951 222 1HA GLY 37 1HA GLY 37 5.300 12.178 18.691 223 2HA GLY 37 2HA GLY 37 5.145 10.686 19.597 224 H LEU 38 H LEU 38 7.631 9.867 20.272 225 HA LEU 38 HA LEU 38 8.357 11.606 22.311 226 2HB LEU 38 2HB LEU 38 8.761 9.272 22.481 227 HG LEU 38 HG LEU 38 9.448 9.080 19.911 228 1HD1 LEU 38 1HD1 LEU 38 11.627 9.281 19.370 229 2HD1 LEU 38 2HD1 LEU 38 11.648 10.402 20.752 230 3HD1 LEU 38 3HD1 LEU 38 12.191 8.720 20.962 231 1HD2 LEU 38 1HD2 LEU 38 10.669 6.899 20.601 232 2HD2 LEU 38 2HD2 LEU 38 10.225 7.371 22.258 233 3HD2 LEU 38 3HD2 LEU 38 8.957 7.114 21.036 234 H ALA 39 H ALA 39 9.856 11.002 19.071 235 HA ALA 39 HA ALA 39 11.905 12.910 19.471 236 1HB ALA 39 1HB ALA 39 12.600 12.255 17.373 237 2HB ALA 39 2HB ALA 39 11.565 10.864 17.778 238 3HB ALA 39 3HB ALA 39 10.941 12.162 16.732 239 H GLY 40 H GLY 40 8.550 12.998 18.270 240 1HA GLY 40 1HA GLY 40 8.780 15.634 17.144 241 2HA GLY 40 2HA GLY 40 7.323 14.688 17.379 242 H MET 41 H MET 41 9.893 16.210 19.467 243 HA MET 41 HA MET 41 9.763 17.265 21.372 244 2HB MET 41 2HB MET 41 7.113 18.531 20.750 245 2HG MET 41 2HG MET 41 9.175 20.439 20.640 246 1HE MET 41 1HE MET 41 6.992 22.574 22.465 247 2HE MET 41 2HE MET 41 8.056 22.177 21.094 248 3HE MET 41 3HE MET 41 6.367 21.615 21.101 Start of MODEL 2 1 1H ALA 1 1H ALA 1 -16.637 11.122 13.053 2 HA ALA 1 HA ALA 1 -16.453 8.782 14.168 3 1HB ALA 1 1HB ALA 1 -19.176 8.985 13.670 4 2HB ALA 1 2HB ALA 1 -18.599 7.971 12.324 5 3HB ALA 1 3HB ALA 1 -18.292 7.476 14.006 6 H ARG 2 H ARG 2 -14.520 9.493 12.940 7 HA ARG 2 HA ARG 2 -14.432 9.709 10.238 8 2HB ARG 2 2HB ARG 2 -11.990 8.470 10.940 9 2HG ARG 2 2HG ARG 2 -13.004 11.108 10.311 10 2HD ARG 2 2HD ARG 2 -10.717 11.957 11.683 11 HE ARG 2 HE ARG 2 -13.268 12.423 13.042 12 1HH1 ARG 2 2HH2 ARG 2 -11.319 13.233 10.226 13 2HH1 ARG 2 1HH2 ARG 2 -12.116 14.746 9.950 14 1HH2 ARG 2 2HH1 ARG 2 -14.320 14.420 12.679 15 2HH2 ARG 2 1HH1 ARG 2 -13.835 15.426 11.355 16 H SER 3 H SER 3 -12.614 7.866 9.148 17 HA SER 3 HA SER 3 -13.254 5.217 9.708 18 2HB SER 3 2HB SER 3 -15.383 5.347 8.764 19 HG SER 3 HG SER 3 -15.793 7.261 7.862 20 H TYR 4 H TYR 4 -13.071 6.708 6.419 21 HA TYR 4 HA TYR 4 -11.588 6.342 4.784 22 2HB TYR 4 2HB TYR 4 -9.236 7.138 5.608 23 HD1 TYR 4 1HD TYR 4 -11.280 8.947 8.002 24 HD2 TYR 4 2HD TYR 4 -10.134 8.734 3.885 25 HE1 TYR 4 1HE TYR 4 -12.117 11.321 7.638 26 HE2 TYR 4 2HE TYR 4 -10.975 11.108 3.535 27 HH TYR 4 HH TYR 4 -12.889 12.703 5.869 28 H GLY 5 H GLY 5 -12.272 3.873 6.064 29 1HA GLY 5 1HA GLY 5 -10.981 1.920 5.110 30 2HA GLY 5 2HA GLY 5 -9.675 2.467 6.142 31 H ASN 6 H ASN 6 -10.028 2.530 8.526 32 HA ASN 6 HA ASN 6 -12.288 1.613 9.742 33 2HB ASN 6 2HB ASN 6 -11.944 -0.561 8.634 34 1HD2 ASN 6 1HD2 ASN 6 -9.853 -1.745 10.898 35 2HD2 ASN 6 2HD2 ASN 6 -8.412 -1.931 9.953 36 H GLY 7 H GLY 7 -8.706 1.602 9.524 37 1HA GLY 7 1HA GLY 7 -8.540 2.050 12.443 38 2HA GLY 7 2HA GLY 7 -7.292 1.308 11.464 39 H VAL 8 H VAL 8 -9.248 4.367 11.650 40 HA VAL 8 HA VAL 8 -6.785 5.795 10.916 41 HB VAL 8 HB VAL 8 -9.637 6.194 10.040 42 1HG1 VAL 8 1HG1 VAL 8 -7.400 8.214 9.686 43 2HG1 VAL 8 2HG1 VAL 8 -9.093 8.366 9.156 44 3HG1 VAL 8 3HG1 VAL 8 -8.701 8.357 10.892 45 1HG2 VAL 8 1HG2 VAL 8 -8.928 5.578 7.994 46 2HG2 VAL 8 2HG2 VAL 8 -7.420 6.513 8.126 47 3HG2 VAL 8 3HG2 VAL 8 -7.528 4.892 8.854 48 H TYR 9 H TYR 9 -10.097 6.449 12.279 49 HA TYR 9 HA TYR 9 -9.470 8.612 13.790 50 2HB TYR 9 2HB TYR 9 -11.752 7.773 13.575 51 HD1 TYR 9 1HD TYR 9 -11.026 5.396 16.280 52 HD2 TYR 9 2HD TYR 9 -11.957 5.809 12.125 53 HE1 TYR 9 1HE TYR 9 -11.586 2.919 16.151 54 HE2 TYR 9 2HE TYR 9 -12.515 3.331 12.011 55 HH TYR 9 HH TYR 9 -11.740 1.248 13.388 56 H CYS 10 H CYS 10 -9.001 5.134 14.635 57 HA CYS 10 HA CYS 10 -7.841 4.155 16.217 58 2HB CYS 10 2HB CYS 10 -6.109 5.866 15.234 59 H ASN 11 H ASN 11 -7.596 4.027 18.633 60 HA ASN 11 HA ASN 11 -9.813 5.157 19.877 61 2HB ASN 11 2HB ASN 11 -7.577 4.230 21.632 62 1HD2 ASN 11 1HD2 ASN 11 -8.631 4.240 23.462 63 2HD2 ASN 11 2HD2 ASN 11 -10.219 3.616 23.764 64 H ASN 12 H ASN 12 -8.843 5.930 22.468 65 HA ASN 12 HA ASN 12 -7.623 8.459 21.759 66 2HB ASN 12 2HB ASN 12 -9.609 8.828 23.034 67 1HD2 ASN 12 1HD2 ASN 12 -10.654 6.737 22.835 68 2HD2 ASN 12 2HD2 ASN 12 -10.859 5.734 24.232 69 H LYS 13 H LYS 13 -7.507 5.815 24.265 70 HA LYS 13 HA LYS 13 -4.922 6.732 25.168 71 2HB LYS 13 2HB LYS 13 -6.812 4.545 26.057 72 2HG LYS 13 2HG LYS 13 -4.975 4.736 28.062 73 2HD LYS 13 2HD LYS 13 -3.856 2.673 26.919 74 2HE LYS 13 2HE LYS 13 -5.970 2.773 28.507 75 1HZ LYS 13 1HZ LYS 13 -7.700 1.540 26.950 76 2HZ LYS 13 2HZ LYS 13 -7.763 3.144 27.250 77 3HZ LYS 13 3HZ LYS 13 -7.089 2.599 25.867 78 H LYS 14 H LYS 14 -6.381 3.923 23.431 79 HA LYS 14 HA LYS 14 -3.849 2.650 23.119 80 2HB LYS 14 2HB LYS 14 -5.186 1.165 21.563 81 2HG LYS 14 2HG LYS 14 -6.149 1.697 24.410 82 2HD LYS 14 2HD LYS 14 -6.890 -0.773 24.221 83 2HE LYS 14 2HE LYS 14 -9.015 -0.047 22.815 84 1HZ LYS 14 1HZ LYS 14 -8.824 1.762 24.977 85 2HZ LYS 14 2HZ LYS 14 -9.787 0.455 24.806 86 3HZ LYS 14 3HZ LYS 14 -8.275 0.283 25.397 87 H CYS 15 H CYS 15 -6.121 3.622 20.479 88 HA CYS 15 HA CYS 15 -5.793 4.768 18.626 89 2HB CYS 15 2HB CYS 15 -3.072 5.610 19.634 90 H TRP 16 H TRP 16 -5.739 3.006 17.202 91 HA TRP 16 HA TRP 16 -3.073 1.863 16.715 92 2HB TRP 16 2HB TRP 16 -4.373 0.154 17.687 93 HD1 TRP 16 HD TRP 16 -6.635 0.440 14.533 94 HE1 TRP 16 1HE TRP 16 -9.184 0.312 15.197 95 HE3 TRP 16 3HE TRP 16 -5.864 0.414 19.558 96 HZ2 TRP 16 2HZ TRP 16 -10.563 0.216 17.695 97 HZ3 TRP 16 3HZ TRP 16 -7.866 0.302 21.040 98 HH2 TRP 16 HH TRP 16 -10.153 0.205 20.183 99 H VAL 17 H VAL 17 -2.621 1.373 14.430 100 HA VAL 17 HA VAL 17 -4.246 3.055 12.650 101 HB VAL 17 HB VAL 17 -1.312 2.517 12.889 102 1HG1 VAL 17 1HG1 VAL 17 -1.244 2.024 10.676 103 2HG1 VAL 17 2HG1 VAL 17 -2.832 2.761 10.350 104 3HG1 VAL 17 3HG1 VAL 17 -1.387 3.790 10.499 105 1HG2 VAL 17 1HG2 VAL 17 -2.846 4.633 13.605 106 2HG2 VAL 17 2HG2 VAL 17 -1.129 4.762 13.151 107 3HG2 VAL 17 3HG2 VAL 17 -2.395 5.117 11.952 108 H ASN 18 H ASN 18 -1.904 0.286 12.359 109 HA ASN 18 HA ASN 18 -4.011 -1.214 11.084 110 2HB ASN 18 2HB ASN 18 -1.476 -1.502 9.602 111 1HD2 ASN 18 1HD2 ASN 18 -3.800 0.691 8.379 112 2HD2 ASN 18 2HD2 ASN 18 -4.718 -0.397 7.393 113 H ARG 19 H ARG 19 -3.872 -2.737 12.835 114 HA ARG 19 HA ARG 19 -1.610 -3.535 14.079 115 2HB ARG 19 2HB ARG 19 -3.011 -5.789 14.367 116 2HG ARG 19 2HG ARG 19 -2.949 -3.378 15.733 117 2HD ARG 19 2HD ARG 19 -5.013 -2.614 14.517 118 HE ARG 19 HE ARG 19 -5.926 -5.198 14.734 119 1HH1 ARG 19 2HH2 ARG 19 -7.134 -2.135 15.975 120 2HH1 ARG 19 1HH2 ARG 19 -8.792 -2.634 15.953 121 1HH2 ARG 19 2HH1 ARG 19 -8.115 -5.857 14.705 122 2HH2 ARG 19 1HH1 ARG 19 -9.354 -4.765 15.226 123 H GLY 20 H GLY 20 -3.271 -5.120 11.255 124 1HA GLY 20 1HA GLY 20 -1.779 -7.302 10.796 125 2HA GLY 20 2HA GLY 20 -2.374 -6.264 9.516 126 H GLU 21 H GLU 21 -0.912 -3.976 9.586 127 HA GLU 21 HA GLU 21 1.415 -4.651 8.378 128 2HB GLU 21 2HB GLU 21 1.008 -2.077 9.956 129 2HG GLU 21 2HG GLU 21 2.824 -3.018 7.796 130 HE2 GLU 21 HE2 GLU 21 2.031 0.711 7.565 131 H ALA 22 H ALA 22 0.791 -3.993 11.860 132 HA ALA 22 HA ALA 22 3.402 -3.845 12.739 133 1HB ALA 22 1HB ALA 22 1.099 -5.166 14.218 134 2HB ALA 22 2HB ALA 22 2.480 -4.279 14.907 135 3HB ALA 22 3HB ALA 22 1.226 -3.405 13.995 136 H THR 23 H THR 23 1.251 -6.746 12.375 137 HA THR 23 HA THR 23 3.184 -8.594 13.227 138 HB THR 23 HB THR 23 0.591 -8.662 11.642 139 HG1 THR 23 1HG THR 23 1.668 -9.835 14.110 140 1HG2 THR 23 1HG2 THR 23 0.727 -11.193 11.923 141 2HG2 THR 23 2HG2 THR 23 1.839 -10.551 10.690 142 3HG2 THR 23 3HG2 THR 23 2.456 -11.001 12.298 143 H GLN 24 H GLN 24 2.310 -7.384 9.938 144 HA GLN 24 HA GLN 24 3.817 -9.044 8.461 145 2HB GLN 24 2HB GLN 24 4.041 -7.113 6.844 146 2HG GLN 24 2HG GLN 24 1.548 -6.644 6.708 147 1HE2 GLN 24 1HE2 GLN 24 1.251 -9.625 8.319 148 2HE2 GLN 24 2HE2 GLN 24 1.429 -10.700 6.972 149 H SER 25 H SER 25 4.959 -5.852 9.794 150 HA SER 25 HA SER 25 7.604 -7.053 9.925 151 2HB SER 25 2HB SER 25 8.149 -4.383 9.389 152 HG SER 25 HG SER 25 8.802 -6.645 8.341 153 H ILE 26 H ILE 26 8.742 -6.553 11.825 154 HA ILE 26 HA ILE 26 7.338 -5.683 14.025 155 HB ILE 26 HB ILE 26 9.622 -5.418 15.046 156 2HG1 ILE 26 2HG1 ILE 26 10.380 -5.530 12.220 157 1HG2 ILE 26 1HG2 ILE 26 9.158 -7.524 15.566 158 2HG2 ILE 26 2HG2 ILE 26 8.283 -7.771 14.036 159 3HG2 ILE 26 3HG2 ILE 26 10.043 -8.026 14.105 160 1HD1 ILE 26 1HD1 ILE 26 12.556 -4.706 13.302 161 2HD1 ILE 26 2HD1 ILE 26 11.122 -3.690 13.585 162 3HD1 ILE 26 3HD1 ILE 26 11.701 -4.786 14.861 163 H ILE 27 H ILE 27 9.472 -3.847 11.768 164 HA ILE 27 HA ILE 27 9.564 -1.470 13.130 165 HB ILE 27 HB ILE 27 10.712 -2.254 10.973 166 2HG1 ILE 27 2HG1 ILE 27 10.532 0.156 12.221 167 1HG2 ILE 27 1HG2 ILE 27 8.206 -2.273 9.929 168 2HG2 ILE 27 2HG2 ILE 27 8.772 -0.666 9.414 169 3HG2 ILE 27 3HG2 ILE 27 9.699 -2.120 8.971 170 1HD1 ILE 27 1HD1 ILE 27 11.981 0.200 9.613 171 2HD1 ILE 27 2HD1 ILE 27 12.586 0.517 11.257 172 3HD1 ILE 27 3HD1 ILE 27 12.377 -1.158 10.693 173 H GLY 28 H GLY 28 6.896 -2.962 11.313 174 1HA GLY 28 1HA GLY 28 5.224 -0.961 10.688 175 2HA GLY 28 2HA GLY 28 4.685 -2.466 11.406 176 H GLY 29 H GLY 29 6.123 -2.012 13.996 177 1HA GLY 29 1HA GLY 29 4.061 -0.547 15.317 178 2HA GLY 29 2HA GLY 29 5.487 -1.271 16.033 179 H MET 30 H MET 30 7.621 -0.022 14.781 180 HA MET 30 HA MET 30 7.712 2.385 16.130 181 2HB MET 30 2HB MET 30 9.738 2.642 14.314 182 2HG MET 30 2HG MET 30 10.937 0.763 15.774 183 1HE MET 30 1HE MET 30 11.684 1.070 18.023 184 2HE MET 30 2HE MET 30 12.632 2.571 18.146 185 3HE MET 30 3HE MET 30 11.161 2.364 19.127 186 H ILE 31 H ILE 31 7.327 1.686 12.589 187 HA ILE 31 HA ILE 31 7.277 4.303 11.720 188 HB ILE 31 HB ILE 31 7.512 2.441 10.232 189 2HG1 ILE 31 2HG1 ILE 31 6.638 4.500 9.279 190 1HG2 ILE 31 1HG2 ILE 31 5.750 1.078 11.666 191 2HG2 ILE 31 2HG2 ILE 31 4.633 1.667 10.411 192 3HG2 ILE 31 3HG2 ILE 31 6.058 0.704 9.954 193 1HD1 ILE 31 1HD1 ILE 31 5.319 3.505 7.357 194 2HD1 ILE 31 2HD1 ILE 31 6.844 2.657 7.704 195 3HD1 ILE 31 3HD1 ILE 31 5.298 1.962 8.245 196 H SER 32 H SER 32 4.493 2.170 12.663 197 HA SER 32 HA SER 32 2.469 3.840 12.229 198 2HB SER 32 2HB SER 32 3.005 1.839 14.424 199 HG SER 32 HG SER 32 1.530 2.904 15.603 200 H GLY 33 H GLY 33 4.877 4.007 14.875 201 1HA GLY 33 1HA GLY 33 3.523 5.999 16.400 202 2HA GLY 33 2HA GLY 33 5.197 5.499 16.539 203 H TRP 34 H TRP 34 6.029 6.006 13.797 204 HA TRP 34 HA TRP 34 6.741 8.686 14.012 205 2HB TRP 34 2HB TRP 34 6.672 7.045 11.479 206 HD1 TRP 34 HD TRP 34 8.698 9.816 13.366 207 HE1 TRP 34 1HE TRP 34 9.897 11.412 11.641 208 HE3 TRP 34 3HE TRP 34 7.203 7.306 9.204 209 HZ2 TRP 34 2HZ TRP 34 10.083 11.445 8.793 210 HZ3 TRP 34 3HZ TRP 34 7.937 8.187 6.991 211 HH2 TRP 34 HH TRP 34 9.328 10.181 6.746 212 H ALA 35 H ALA 35 4.380 7.058 11.763 213 HA ALA 35 HA ALA 35 3.375 9.408 10.677 214 1HB ALA 35 1HB ALA 35 3.113 7.005 9.871 215 2HB ALA 35 2HB ALA 35 1.847 6.816 11.107 216 3HB ALA 35 3HB ALA 35 1.641 8.004 9.798 217 H SER 36 H SER 36 2.534 7.585 13.655 218 HA SER 36 HA SER 36 0.174 8.864 14.210 219 2HB SER 36 2HB SER 36 1.433 8.398 16.701 220 HG SER 36 HG SER 36 0.302 6.104 15.783 221 H GLY 37 H GLY 37 3.584 9.825 14.781 222 1HA GLY 37 1HA GLY 37 2.998 12.048 16.460 223 2HA GLY 37 2HA GLY 37 4.504 11.701 15.633 224 H LEU 38 H LEU 38 3.788 11.669 12.931 225 HA LEU 38 HA LEU 38 3.746 14.374 12.325 226 2HB LEU 38 2HB LEU 38 3.528 13.668 10.031 227 HG LEU 38 HG LEU 38 5.323 12.024 11.770 228 1HD1 LEU 38 1HD1 LEU 38 5.174 10.273 10.375 229 2HD1 LEU 38 2HD1 LEU 38 4.406 11.229 9.084 230 3HD1 LEU 38 3HD1 LEU 38 6.173 11.274 9.293 231 1HD2 LEU 38 1HD2 LEU 38 5.496 14.405 10.145 232 2HD2 LEU 38 2HD2 LEU 38 6.652 13.745 11.324 233 3HD2 LEU 38 3HD2 LEU 38 6.705 13.206 9.629 234 H ALA 39 H ALA 39 1.097 11.902 12.182 235 HA ALA 39 HA ALA 39 -0.854 13.715 11.302 236 1HB ALA 39 1HB ALA 39 -2.032 11.620 12.850 237 2HB ALA 39 2HB ALA 39 -1.900 11.742 11.080 238 3HB ALA 39 3HB ALA 39 -0.615 10.940 12.015 239 H GLY 40 H GLY 40 0.630 13.073 14.436 240 1HA GLY 40 1HA GLY 40 -1.453 14.071 16.076 241 2HA GLY 40 2HA GLY 40 0.236 13.879 16.501 242 H MET 41 H MET 41 -2.002 16.007 14.601 243 HA MET 41 HA MET 41 -0.213 18.089 14.304 244 2HB MET 41 2HB MET 41 -3.005 18.970 14.642 245 2HG MET 41 2HG MET 41 -0.963 18.775 12.420 246 1HE MET 41 1HE MET 41 -3.304 20.490 9.628 247 2HE MET 41 2HE MET 41 -3.123 21.393 11.151 248 3HE MET 41 3HE MET 41 -1.713 20.589 10.420 Start of MODEL 3 1 1H ALA 1 1H ALA 1 -19.450 6.324 14.910 2 HA ALA 1 HA ALA 1 -20.687 5.027 13.040 3 1HB ALA 1 1HB ALA 1 -19.415 4.591 11.242 4 2HB ALA 1 2HB ALA 1 -18.067 5.485 11.987 5 3HB ALA 1 3HB ALA 1 -18.238 3.735 12.269 6 H ARG 2 H ARG 2 -17.526 4.282 14.684 7 HA ARG 2 HA ARG 2 -19.008 2.228 16.122 8 2HB ARG 2 2HB ARG 2 -16.386 1.408 16.340 9 2HG ARG 2 2HG ARG 2 -16.903 -0.109 14.356 10 2HD ARG 2 2HD ARG 2 -18.878 0.299 16.630 11 HE ARG 2 HE ARG 2 -19.239 -1.450 14.289 12 1HH1 ARG 2 2HH2 ARG 2 -20.008 -0.919 17.682 13 2HH1 ARG 2 1HH2 ARG 2 -21.429 -1.909 17.646 14 1HH2 ARG 2 2HH1 ARG 2 -21.113 -2.757 14.242 15 2HH2 ARG 2 1HH1 ARG 2 -22.062 -2.961 15.677 16 H SER 3 H SER 3 -17.176 1.570 18.114 17 HA SER 3 HA SER 3 -15.955 3.838 19.228 18 2HB SER 3 2HB SER 3 -17.622 3.525 21.360 19 HG SER 3 HG SER 3 -18.926 5.284 19.853 20 H TYR 4 H TYR 4 -15.025 1.288 18.574 21 HA TYR 4 HA TYR 4 -15.221 -0.524 20.749 22 2HB TYR 4 2HB TYR 4 -12.897 -1.106 19.324 23 HD1 TYR 4 1HD TYR 4 -15.617 -0.838 16.929 24 HD2 TYR 4 2HD TYR 4 -13.981 -3.245 20.066 25 HE1 TYR 4 1HE TYR 4 -17.017 -2.814 16.154 26 HE2 TYR 4 2HE TYR 4 -15.386 -5.212 19.278 27 HH TYR 4 HH TYR 4 -17.217 -5.041 16.297 28 H GLY 5 H GLY 5 -12.146 0.890 19.484 29 1HA GLY 5 1HA GLY 5 -11.348 2.414 21.604 30 2HA GLY 5 2HA GLY 5 -10.965 0.776 22.098 31 H ASN 6 H ASN 6 -10.463 -0.261 19.367 32 HA ASN 6 HA ASN 6 -7.811 0.823 19.128 33 2HB ASN 6 2HB ASN 6 -9.120 -1.509 17.635 34 1HD2 ASN 6 1HD2 ASN 6 -7.936 -2.261 16.062 35 2HD2 ASN 6 2HD2 ASN 6 -6.240 -2.013 15.807 36 H GLY 7 H GLY 7 -10.034 2.528 18.286 37 1HA GLY 7 1HA GLY 7 -10.254 4.008 16.557 38 2HA GLY 7 2HA GLY 7 -9.251 2.996 15.536 39 H VAL 8 H VAL 8 -10.202 1.034 14.542 40 HA VAL 8 HA VAL 8 -11.800 -0.090 13.505 41 HB VAL 8 HB VAL 8 -13.698 1.128 15.521 42 1HG1 VAL 8 1HG1 VAL 8 -13.916 -1.211 13.615 43 2HG1 VAL 8 2HG1 VAL 8 -14.944 -1.063 15.060 44 3HG1 VAL 8 3HG1 VAL 8 -15.004 0.186 13.794 45 1HG2 VAL 8 1HG2 VAL 8 -11.792 -1.190 15.682 46 2HG2 VAL 8 2HG2 VAL 8 -12.176 0.055 16.895 47 3HG2 VAL 8 3HG2 VAL 8 -13.336 -1.253 16.565 48 H TYR 9 H TYR 9 -13.407 3.017 14.518 49 HA TYR 9 HA TYR 9 -14.321 3.359 11.786 50 2HB TYR 9 2HB TYR 9 -15.841 3.802 13.692 51 HD1 TYR 9 1HD TYR 9 -15.080 3.245 15.925 52 HD2 TYR 9 2HD TYR 9 -13.923 6.931 14.086 53 HE1 TYR 9 1HE TYR 9 -14.266 4.119 18.171 54 HE2 TYR 9 2HE TYR 9 -13.113 7.792 16.337 55 HH TYR 9 HH TYR 9 -13.942 6.337 19.226 56 H CYS 10 H CYS 10 -11.437 3.468 12.155 57 HA CYS 10 HA CYS 10 -9.779 4.683 11.364 58 2HB CYS 10 2HB CYS 10 -10.108 6.750 10.164 59 H ASN 11 H ASN 11 -8.606 6.955 11.888 60 HA ASN 11 HA ASN 11 -8.937 7.254 14.729 61 2HB ASN 11 2HB ASN 11 -6.868 8.965 13.589 62 1HD2 ASN 11 1HD2 ASN 11 -5.493 9.169 15.172 63 2HD2 ASN 11 2HD2 ASN 11 -5.146 8.022 16.422 64 H ASN 12 H ASN 12 -8.051 9.601 12.085 65 HA ASN 12 HA ASN 12 -10.356 11.138 12.395 66 2HB ASN 12 2HB ASN 12 -9.569 12.015 14.462 67 1HD2 ASN 12 1HD2 ASN 12 -8.120 10.588 15.395 68 2HD2 ASN 12 2HD2 ASN 12 -6.405 10.833 15.382 69 H LYS 13 H LYS 13 -6.754 11.406 11.887 70 HA LYS 13 HA LYS 13 -7.121 13.135 9.626 71 2HB LYS 13 2HB LYS 13 -5.245 13.379 11.235 72 2HG LYS 13 2HG LYS 13 -3.538 11.355 10.019 73 2HD LYS 13 2HD LYS 13 -4.478 11.829 12.888 74 2HE LYS 13 2HE LYS 13 -2.876 9.717 11.729 75 1HZ LYS 13 1HZ LYS 13 -1.408 11.843 12.905 76 2HZ LYS 13 2HZ LYS 13 -1.159 10.423 13.672 77 3HZ LYS 13 3HZ LYS 13 -0.870 10.547 12.070 78 H LYS 14 H LYS 14 -6.591 9.677 10.288 79 HA LYS 14 HA LYS 14 -7.243 9.118 7.539 80 2HB LYS 14 2HB LYS 14 -4.873 9.403 7.278 81 2HG LYS 14 2HG LYS 14 -4.552 8.818 9.888 82 2HD LYS 14 2HD LYS 14 -3.294 6.333 8.885 83 2HE LYS 14 2HE LYS 14 -4.407 5.480 11.038 84 1HZ LYS 14 1HZ LYS 14 -3.046 7.643 12.096 85 2HZ LYS 14 2HZ LYS 14 -2.496 6.121 11.878 86 3HZ LYS 14 3HZ LYS 14 -2.291 7.239 10.705 87 H CYS 15 H CYS 15 -7.040 6.480 7.356 88 HA CYS 15 HA CYS 15 -8.559 5.582 9.675 89 2HB CYS 15 2HB CYS 15 -9.168 3.668 8.120 90 H TRP 16 H TRP 16 -7.076 3.270 7.466 91 HA TRP 16 HA TRP 16 -4.700 2.925 9.043 92 2HB TRP 16 2HB TRP 16 -5.185 1.084 10.228 93 HD1 TRP 16 HD TRP 16 -8.886 0.961 9.312 94 HE1 TRP 16 1HE TRP 16 -10.401 2.000 11.207 95 HE3 TRP 16 3HE TRP 16 -5.058 2.918 12.028 96 HZ2 TRP 16 2HZ TRP 16 -9.841 3.490 13.575 97 HZ3 TRP 16 3HZ TRP 16 -5.629 4.150 14.118 98 HH2 TRP 16 HH TRP 16 -7.924 4.450 14.903 99 H VAL 17 H VAL 17 -7.069 1.549 6.668 100 HA VAL 17 HA VAL 17 -6.803 0.709 4.643 101 HB VAL 17 HB VAL 17 -4.363 2.419 4.903 102 1HG1 VAL 17 1HG1 VAL 17 -4.106 1.867 2.332 103 2HG1 VAL 17 2HG1 VAL 17 -3.313 0.862 3.568 104 3HG1 VAL 17 3HG1 VAL 17 -4.830 0.315 2.816 105 1HG2 VAL 17 1HG2 VAL 17 -6.908 3.024 4.275 106 2HG2 VAL 17 2HG2 VAL 17 -5.510 3.905 3.613 107 3HG2 VAL 17 3HG2 VAL 17 -6.299 2.634 2.649 108 H ASN 18 H ASN 18 -3.317 0.530 5.585 109 HA ASN 18 HA ASN 18 -3.689 -2.348 5.798 110 2HB ASN 18 2HB ASN 18 -1.031 -1.603 4.780 111 1HD2 ASN 18 1HD2 ASN 18 -2.079 -2.355 2.050 112 2HD2 ASN 18 2HD2 ASN 18 -2.331 -4.067 2.102 113 H ARG 19 H ARG 19 -3.511 -2.252 8.122 114 HA ARG 19 HA ARG 19 -1.299 -0.799 9.217 115 2HB ARG 19 2HB ARG 19 -3.128 -2.612 10.824 116 2HG ARG 19 2HG ARG 19 -1.166 -0.609 11.409 117 2HD ARG 19 2HD ARG 19 -3.303 0.899 11.044 118 HE ARG 19 HE ARG 19 -5.020 -0.034 12.381 119 1HH1 ARG 19 2HH2 ARG 19 -2.102 0.451 14.285 120 2HH1 ARG 19 1HH2 ARG 19 -2.893 0.176 15.802 121 1HH2 ARG 19 2HH1 ARG 19 -6.063 -0.396 14.380 122 2HH2 ARG 19 1HH1 ARG 19 -5.162 -0.309 15.857 123 H GLY 20 H GLY 20 -2.555 -4.211 9.153 124 1HA GLY 20 1HA GLY 20 -0.774 -5.606 10.566 125 2HA GLY 20 2HA GLY 20 -1.384 -6.156 9.018 126 H GLU 21 H GLU 21 -0.215 -4.710 7.078 127 HA GLU 21 HA GLU 21 2.279 -5.736 6.870 128 2HB GLU 21 2HB GLU 21 2.607 -4.115 5.008 129 2HG GLU 21 2HG GLU 21 -0.335 -4.760 4.909 130 HE2 GLU 21 HE2 GLU 21 0.296 -6.307 2.071 131 H ALA 22 H ALA 22 1.318 -2.436 8.009 132 HA ALA 22 HA ALA 22 3.879 -1.424 8.333 133 1HB ALA 22 1HB ALA 22 1.552 -0.771 10.155 134 2HB ALA 22 2HB ALA 22 2.817 0.311 9.527 135 3HB ALA 22 3HB ALA 22 1.544 -0.294 8.440 136 H THR 23 H THR 23 1.717 -3.127 10.702 137 HA THR 23 HA THR 23 3.480 -3.066 12.845 138 HB THR 23 HB THR 23 1.140 -4.771 11.948 139 HG1 THR 23 1HG THR 23 1.133 -2.555 13.007 140 1HG2 THR 23 1HG2 THR 23 3.191 -5.544 13.943 141 2HG2 THR 23 2HG2 THR 23 1.563 -5.384 14.646 142 3HG2 THR 23 3HG2 THR 23 1.841 -6.502 13.289 143 H GLN 24 H GLN 24 2.880 -5.955 10.728 144 HA GLN 24 HA GLN 24 4.937 -7.426 11.649 145 2HB GLN 24 2HB GLN 24 3.203 -8.220 10.057 146 2HG GLN 24 2HG GLN 24 4.877 -6.758 7.959 147 1HE2 GLN 24 1HE2 GLN 24 5.025 -8.230 6.405 148 2HE2 GLN 24 2HE2 GLN 24 3.708 -9.103 5.695 149 H SER 25 H SER 25 5.013 -4.858 9.120 150 HA SER 25 HA SER 25 7.501 -5.248 8.145 151 2HB SER 25 2HB SER 25 7.406 -2.525 8.163 152 HG SER 25 HG SER 25 7.228 -3.803 6.240 153 H ILE 26 H ILE 26 9.624 -4.855 8.827 154 HA ILE 26 HA ILE 26 10.024 -4.537 11.613 155 HB ILE 26 HB ILE 26 11.862 -4.704 9.233 156 2HG1 ILE 26 2HG1 ILE 26 10.455 -6.693 10.130 157 1HG2 ILE 26 1HG2 ILE 26 12.880 -3.292 11.008 158 2HG2 ILE 26 2HG2 ILE 26 12.693 -4.647 12.146 159 3HG2 ILE 26 3HG2 ILE 26 13.748 -4.820 10.723 160 1HD1 ILE 26 1HD1 ILE 26 12.522 -6.743 8.588 161 2HD1 ILE 26 2HD1 ILE 26 13.471 -7.090 10.053 162 3HD1 ILE 26 3HD1 ILE 26 12.201 -8.220 9.529 163 H ILE 27 H ILE 27 10.487 -2.436 8.713 164 HA ILE 27 HA ILE 27 11.625 -0.304 10.131 165 HB ILE 27 HB ILE 27 10.263 -0.602 7.475 166 2HG1 ILE 27 2HG1 ILE 27 13.044 -0.510 8.510 167 1HG2 ILE 27 1HG2 ILE 27 10.757 1.702 6.932 168 2HG2 ILE 27 2HG2 ILE 27 9.686 1.637 8.352 169 3HG2 ILE 27 3HG2 ILE 27 11.420 1.980 8.561 170 1HD1 ILE 27 1HD1 ILE 27 13.368 -1.980 6.510 171 2HD1 ILE 27 2HD1 ILE 27 12.084 -2.581 7.586 172 3HD1 ILE 27 3HD1 ILE 27 11.659 -1.734 6.079 173 H GLY 28 H GLY 28 8.260 -1.333 9.507 174 1HA GLY 28 1HA GLY 28 6.283 -0.440 10.144 175 2HA GLY 28 2HA GLY 28 7.097 -0.241 11.683 176 H GLY 29 H GLY 29 6.100 1.354 8.663 177 1HA GLY 29 1HA GLY 29 7.280 3.888 9.249 178 2HA GLY 29 2HA GLY 29 6.072 3.525 8.032 179 H MET 30 H MET 30 3.860 2.634 9.321 180 HA MET 30 HA MET 30 2.755 4.926 10.330 181 2HB MET 30 2HB MET 30 1.085 3.032 11.340 182 2HG MET 30 2HG MET 30 1.229 2.863 8.364 183 1HE MET 30 1HE MET 30 -2.478 4.064 8.027 184 2HE MET 30 2HE MET 30 -1.483 5.385 8.683 185 3HE MET 30 3HE MET 30 -0.834 4.332 7.403 186 H ILE 31 H ILE 31 3.915 1.981 12.112 187 HA ILE 31 HA ILE 31 3.244 2.830 14.649 188 HB ILE 31 HB ILE 31 3.867 0.571 14.154 189 2HG1 ILE 31 2HG1 ILE 31 4.159 1.308 16.453 190 1HG2 ILE 31 1HG2 ILE 31 5.831 -0.154 13.247 191 2HG2 ILE 31 2HG2 ILE 31 5.729 1.453 12.489 192 3HG2 ILE 31 3HG2 ILE 31 6.774 1.204 13.908 193 1HD1 ILE 31 1HD1 ILE 31 4.804 -0.990 16.092 194 2HD1 ILE 31 2HD1 ILE 31 6.356 -0.506 15.368 195 3HD1 ILE 31 3HD1 ILE 31 6.071 -0.262 17.108 196 H SER 32 H SER 32 6.388 3.236 12.875 197 HA SER 32 HA SER 32 7.780 4.533 14.747 198 2HB SER 32 2HB SER 32 7.657 5.222 11.778 199 HG SER 32 HG SER 32 9.882 5.510 13.603 200 H GLY 33 H GLY 33 5.097 5.806 12.751 201 1HA GLY 33 1HA GLY 33 5.479 8.545 13.508 202 2HA GLY 33 2HA GLY 33 4.108 7.843 12.671 203 H TRP 34 H TRP 34 3.523 5.748 14.657 204 HA TRP 34 HA TRP 34 1.811 7.202 16.317 205 2HB TRP 34 2HB TRP 34 2.763 4.374 16.768 206 HD1 TRP 34 HD TRP 34 -0.347 6.736 17.065 207 HE1 TRP 34 1HE TRP 34 -1.911 5.952 19.041 208 HE3 TRP 34 3HE TRP 34 2.374 2.617 18.283 209 HZ2 TRP 34 2HZ TRP 34 -1.837 3.747 20.851 210 HZ3 TRP 34 3HZ TRP 34 1.559 1.202 20.166 211 HH2 TRP 34 HH TRP 34 -0.469 1.710 21.434 212 H ALA 35 H ALA 35 4.828 5.310 17.090 213 HA ALA 35 HA ALA 35 4.993 6.176 19.733 214 1HB ALA 35 1HB ALA 35 7.192 5.208 19.677 215 2HB ALA 35 2HB ALA 35 6.163 4.218 18.615 216 3HB ALA 35 3HB ALA 35 7.298 5.394 17.910 217 H SER 36 H SER 36 6.276 7.528 16.650 218 HA SER 36 HA SER 36 7.873 9.455 17.827 219 2HB SER 36 2HB SER 36 6.458 9.349 15.132 220 HG SER 36 HG SER 36 8.511 10.902 14.812 221 H GLY 37 H GLY 37 4.379 9.302 17.110 222 1HA GLY 37 1HA GLY 37 3.834 12.072 17.429 223 2HA GLY 37 2HA GLY 37 2.687 10.748 17.471 224 H LEU 38 H LEU 38 3.298 9.195 19.600 225 HA LEU 38 HA LEU 38 2.494 10.789 21.775 226 2HB LEU 38 2HB LEU 38 1.759 8.541 21.613 227 HG LEU 38 HG LEU 38 4.148 7.764 20.617 228 1HD1 LEU 38 1HD1 LEU 38 5.028 8.087 23.058 229 2HD1 LEU 38 2HD1 LEU 38 4.265 6.503 23.337 230 3HD1 LEU 38 3HD1 LEU 38 5.534 6.674 22.101 231 1HD2 LEU 38 1HD2 LEU 38 2.781 5.580 22.043 232 2HD2 LEU 38 2HD2 LEU 38 1.715 6.616 21.065 233 3HD2 LEU 38 3HD2 LEU 38 3.105 5.803 20.307 234 H ALA 39 H ALA 39 5.618 9.142 20.950 235 HA ALA 39 HA ALA 39 6.950 10.133 23.230 236 1HB ALA 39 1HB ALA 39 8.365 9.406 20.673 237 2HB ALA 39 2HB ALA 39 8.793 9.016 22.356 238 3HB ALA 39 3HB ALA 39 7.461 8.150 21.552 239 H GLY 40 H GLY 40 6.204 11.421 20.012 240 1HA GLY 40 1HA GLY 40 8.053 13.281 19.480 241 2HA GLY 40 2HA GLY 40 6.334 13.573 19.301 242 H MET 41 H MET 41 5.587 13.464 22.113 243 HA MET 41 HA MET 41 5.277 14.891 23.733 244 2HB MET 41 2HB MET 41 8.069 15.771 24.090 245 2HG MET 41 2HG MET 41 6.364 13.737 25.607 246 1HE MET 41 1HE MET 41 8.462 12.195 27.426 247 2HE MET 41 2HE MET 41 7.981 12.268 25.715 248 3HE MET 41 3HE MET 41 9.691 12.468 26.168 Start of MODEL 4 1 1H ALA 1 1H ALA 1 -20.351 11.720 12.715 2 HA ALA 1 HA ALA 1 -19.830 10.728 10.327 3 1HB ALA 1 1HB ALA 1 -17.118 11.257 10.472 4 2HB ALA 1 2HB ALA 1 -18.266 12.055 9.370 5 3HB ALA 1 3HB ALA 1 -17.839 12.821 10.919 6 H ARG 2 H ARG 2 -19.872 8.647 11.002 7 HA ARG 2 HA ARG 2 -19.020 7.948 13.559 8 2HB ARG 2 2HB ARG 2 -19.123 5.552 12.108 9 2HG ARG 2 2HG ARG 2 -20.465 6.511 14.195 10 2HD ARG 2 2HD ARG 2 -21.941 7.574 11.891 11 HE ARG 2 HE ARG 2 -23.932 6.463 13.668 12 1HH1 ARG 2 2HH2 ARG 2 -21.919 5.650 10.899 13 2HH1 ARG 2 1HH2 ARG 2 -23.001 4.433 10.308 14 1HH2 ARG 2 2HH1 ARG 2 -25.360 4.858 12.889 15 2HH2 ARG 2 1HH1 ARG 2 -24.972 3.980 11.448 16 H SER 3 H SER 3 -17.154 6.741 14.255 17 HA SER 3 HA SER 3 -15.267 5.813 12.396 18 2HB SER 3 2HB SER 3 -14.638 8.402 13.874 19 HG SER 3 HG SER 3 -12.523 8.081 13.474 20 H TYR 4 H TYR 4 -15.914 7.058 15.726 21 HA TYR 4 HA TYR 4 -15.131 6.373 17.719 22 2HB TYR 4 2HB TYR 4 -15.691 3.788 17.894 23 HD1 TYR 4 1HD TYR 4 -17.020 5.172 19.552 24 HD2 TYR 4 2HD TYR 4 -18.185 4.744 15.458 25 HE1 TYR 4 1HE TYR 4 -19.376 5.928 20.137 26 HE2 TYR 4 2HE TYR 4 -20.537 5.501 16.056 27 HH TYR 4 HH TYR 4 -21.285 6.694 19.270 28 H GLY 5 H GLY 5 -12.876 6.799 16.204 29 1HA GLY 5 1HA GLY 5 -10.663 6.340 16.447 30 2HA GLY 5 2HA GLY 5 -11.050 4.898 17.364 31 H ASN 6 H ASN 6 -10.682 2.942 16.399 32 HA ASN 6 HA ASN 6 -10.840 2.876 13.502 33 2HB ASN 6 2HB ASN 6 -8.747 1.558 13.378 34 1HD2 ASN 6 1HD2 ASN 6 -8.760 3.644 12.260 35 2HD2 ASN 6 2HD2 ASN 6 -7.768 4.935 12.851 36 H GLY 7 H GLY 7 -12.538 1.401 13.241 37 1HA GLY 7 1HA GLY 7 -12.900 -1.021 13.200 38 2HA GLY 7 2HA GLY 7 -12.453 -1.052 14.895 39 H VAL 8 H VAL 8 -14.950 -0.133 12.535 40 HA VAL 8 HA VAL 8 -17.044 -0.624 14.265 41 HB VAL 8 HB VAL 8 -16.703 1.180 15.619 42 1HG1 VAL 8 1HG1 VAL 8 -14.958 2.479 15.070 43 2HG1 VAL 8 2HG1 VAL 8 -15.222 2.247 13.325 44 3HG1 VAL 8 3HG1 VAL 8 -16.139 3.492 14.206 45 1HG2 VAL 8 1HG2 VAL 8 -18.590 2.383 15.353 46 2HG2 VAL 8 2HG2 VAL 8 -18.111 2.967 13.741 47 3HG2 VAL 8 3HG2 VAL 8 -18.848 1.356 13.922 48 H TYR 9 H TYR 9 -16.795 2.298 12.173 49 HA TYR 9 HA TYR 9 -18.975 1.845 10.658 50 2HB TYR 9 2HB TYR 9 -17.643 3.884 10.475 51 HD1 TYR 9 1HD TYR 9 -15.706 3.905 11.991 52 HD2 TYR 9 2HD TYR 9 -15.452 2.157 8.094 53 HE1 TYR 9 1HE TYR 9 -13.168 3.916 12.143 54 HE2 TYR 9 2HE TYR 9 -12.916 2.174 8.259 55 HH TYR 9 HH TYR 9 -11.279 3.926 10.666 56 H CYS 10 H CYS 10 -15.786 0.263 10.358 57 HA CYS 10 HA CYS 10 -15.140 -1.500 9.219 58 2HB CYS 10 2HB CYS 10 -16.812 -3.033 8.190 59 H ASN 11 H ASN 11 -14.791 -2.249 6.888 60 HA ASN 11 HA ASN 11 -14.862 0.073 5.222 61 2HB ASN 11 2HB ASN 11 -13.780 -2.748 4.702 62 1HD2 ASN 11 1HD2 ASN 11 -12.436 -2.958 2.936 63 2HD2 ASN 11 2HD2 ASN 11 -12.434 -1.855 1.601 64 H ASN 12 H ASN 12 -15.594 -3.464 4.670 65 HA ASN 12 HA ASN 12 -18.155 -2.795 3.619 66 2HB ASN 12 2HB ASN 12 -17.739 -3.850 1.382 67 1HD2 ASN 12 1HD2 ASN 12 -14.624 -2.431 1.734 68 2HD2 ASN 12 2HD2 ASN 12 -14.976 -0.849 1.124 69 H LYS 13 H LYS 13 -15.636 -5.405 3.175 70 HA LYS 13 HA LYS 13 -17.594 -7.358 4.090 71 2HB LYS 13 2HB LYS 13 -14.915 -7.636 2.700 72 2HG LYS 13 2HG LYS 13 -16.148 -10.058 2.447 73 2HD LYS 13 2HD LYS 13 -14.737 -10.588 4.693 74 2HE LYS 13 2HE LYS 13 -14.225 -10.901 2.074 75 1HZ LYS 13 1HZ LYS 13 -13.083 -8.429 2.682 76 2HZ LYS 13 2HZ LYS 13 -11.885 -9.483 2.337 77 3HZ LYS 13 3HZ LYS 13 -13.083 -9.227 1.257 78 H LYS 14 H LYS 14 -14.231 -6.202 4.778 79 HA LYS 14 HA LYS 14 -14.207 -7.766 7.211 80 2HB LYS 14 2HB LYS 14 -11.915 -7.205 7.355 81 2HG LYS 14 2HG LYS 14 -12.783 -7.486 4.445 82 2HD LYS 14 2HD LYS 14 -10.386 -8.360 4.155 83 2HE LYS 14 2HE LYS 14 -9.410 -6.093 3.864 84 1HZ LYS 14 1HZ LYS 14 -11.243 -6.926 2.408 85 2HZ LYS 14 2HZ LYS 14 -12.269 -5.966 3.240 86 3HZ LYS 14 3HZ LYS 14 -11.029 -5.307 2.406 87 H CYS 15 H CYS 15 -12.452 -5.446 8.366 88 HA CYS 15 HA CYS 15 -14.223 -3.309 8.792 89 2HB CYS 15 2HB CYS 15 -13.952 -5.064 11.225 90 H TRP 16 H TRP 16 -11.753 -5.393 10.476 91 HA TRP 16 HA TRP 16 -9.729 -4.950 11.254 92 2HB TRP 16 2HB TRP 16 -9.582 -3.966 8.850 93 HD1 TRP 16 HD TRP 16 -8.973 -1.159 11.526 94 HE1 TRP 16 1HE TRP 16 -9.437 1.218 10.478 95 HE3 TRP 16 3HE TRP 16 -10.241 -2.863 6.906 96 HZ2 TRP 16 2HZ TRP 16 -10.265 2.099 7.892 97 HZ3 TRP 16 3HZ TRP 16 -10.863 -1.179 5.178 98 HH2 TRP 16 HH TRP 16 -10.889 1.227 5.610 99 H VAL 17 H VAL 17 -9.285 -4.241 13.306 100 HA VAL 17 HA VAL 17 -10.641 -1.773 14.148 101 HB VAL 17 HB VAL 17 -11.609 -3.564 15.308 102 1HG1 VAL 17 1HG1 VAL 17 -10.297 -5.308 16.495 103 2HG1 VAL 17 2HG1 VAL 17 -10.054 -5.337 14.732 104 3HG1 VAL 17 3HG1 VAL 17 -8.808 -4.633 15.791 105 1HG2 VAL 17 1HG2 VAL 17 -9.620 -3.001 17.429 106 2HG2 VAL 17 2HG2 VAL 17 -10.329 -1.569 16.643 107 3HG2 VAL 17 3HG2 VAL 17 -11.385 -2.775 17.417 108 H ASN 18 H ASN 18 -7.673 -3.816 14.426 109 HA ASN 18 HA ASN 18 -6.324 -1.490 15.510 110 2HB ASN 18 2HB ASN 18 -4.919 -4.137 15.167 111 1HD2 ASN 18 1HD2 ASN 18 -6.048 -2.850 18.180 112 2HD2 ASN 18 2HD2 ASN 18 -4.565 -2.146 18.735 113 H ARG 19 H ARG 19 -5.225 -0.239 13.993 114 HA ARG 19 HA ARG 19 -4.525 -1.531 11.505 115 2HB ARG 19 2HB ARG 19 -4.000 0.977 10.880 116 2HG ARG 19 2HG ARG 19 -6.883 0.915 11.497 117 2HD ARG 19 2HD ARG 19 -6.958 0.870 8.940 118 HE ARG 19 HE ARG 19 -5.727 2.990 10.556 119 1HH1 ARG 19 2HH2 ARG 19 -6.855 2.073 7.351 120 2HH1 ARG 19 1HH2 ARG 19 -7.065 3.708 6.818 121 1HH2 ARG 19 2HH1 ARG 19 -6.003 5.147 9.852 122 2HH2 ARG 19 1HH1 ARG 19 -6.577 5.468 8.250 123 H GLY 20 H GLY 20 -3.114 0.766 13.958 124 1HA GLY 20 1HA GLY 20 -1.021 0.675 14.893 125 2HA GLY 20 2HA GLY 20 -0.552 -0.589 13.773 126 H GLU 21 H GLU 21 0.961 1.846 14.474 127 HA GLU 21 HA GLU 21 0.666 3.742 12.449 128 2HB GLU 21 2HB GLU 21 1.806 4.247 14.563 129 2HG GLU 21 2HG GLU 21 4.367 3.295 14.419 130 HE2 GLU 21 HE2 GLU 21 4.520 1.545 16.460 131 H ALA 22 H ALA 22 1.807 0.513 12.386 132 HA ALA 22 HA ALA 22 3.927 0.705 10.577 133 1HB ALA 22 1HB ALA 22 3.447 -1.295 11.907 134 2HB ALA 22 2HB ALA 22 1.891 -1.506 11.069 135 3HB ALA 22 3HB ALA 22 3.418 -1.698 10.174 136 H THR 23 H THR 23 0.378 0.131 10.064 137 HA THR 23 HA THR 23 0.702 0.308 7.211 138 HB THR 23 HB THR 23 -0.958 -1.176 8.476 139 HG1 THR 23 1HG THR 23 -1.344 -0.678 6.256 140 1HG2 THR 23 1HG2 THR 23 -1.727 0.640 10.103 141 2HG2 THR 23 2HG2 THR 23 -2.490 1.462 8.721 142 3HG2 THR 23 3HG2 THR 23 -3.054 -0.151 9.219 143 H GLN 24 H GLN 24 -0.846 2.352 9.772 144 HA GLN 24 HA GLN 24 -1.823 4.313 8.275 145 2HB GLN 24 2HB GLN 24 -1.210 5.872 10.199 146 2HG GLN 24 2HG GLN 24 -2.131 3.313 11.462 147 1HE2 GLN 24 1HE2 GLN 24 -4.625 3.944 11.993 148 2HE2 GLN 24 2HE2 GLN 24 -4.784 5.438 12.854 149 H SER 25 H SER 25 1.624 4.155 9.422 150 HA SER 25 HA SER 25 2.303 5.706 7.064 151 2HB SER 25 2HB SER 25 4.133 6.671 8.866 152 HG SER 25 HG SER 25 2.227 7.698 7.429 153 H ILE 26 H ILE 26 4.077 4.862 5.983 154 HA ILE 26 HA ILE 26 5.155 2.416 6.921 155 HB ILE 26 HB ILE 26 6.520 2.536 4.886 156 2HG1 ILE 26 2HG1 ILE 26 5.653 5.373 4.952 157 1HG2 ILE 26 1HG2 ILE 26 4.231 1.637 4.836 158 2HG2 ILE 26 2HG2 ILE 26 3.611 3.255 4.431 159 3HG2 ILE 26 3HG2 ILE 26 4.686 2.404 3.297 160 1HD1 ILE 26 1HD1 ILE 26 7.998 3.896 3.670 161 2HD1 ILE 26 2HD1 ILE 26 7.839 5.660 3.851 162 3HD1 ILE 26 3HD1 ILE 26 8.018 4.630 5.292 163 H ILE 27 H ILE 27 6.324 5.820 6.728 164 HA ILE 27 HA ILE 27 8.942 5.339 7.481 165 HB ILE 27 HB ILE 27 8.703 7.744 8.414 166 2HG1 ILE 27 2HG1 ILE 27 5.994 7.170 8.125 167 1HG2 ILE 27 1HG2 ILE 27 9.844 7.450 6.395 168 2HG2 ILE 27 2HG2 ILE 27 8.387 6.885 5.543 169 3HG2 ILE 27 3HG2 ILE 27 8.543 8.599 5.997 170 1HD1 ILE 27 1HD1 ILE 27 5.729 9.265 9.091 171 2HD1 ILE 27 2HD1 ILE 27 7.466 9.025 9.403 172 3HD1 ILE 27 3HD1 ILE 27 6.938 10.023 8.027 173 H GLY 28 H GLY 28 5.932 5.538 9.397 174 1HA GLY 28 1HA GLY 28 5.601 4.546 11.443 175 2HA GLY 28 2HA GLY 28 7.329 4.327 11.641 176 H GLY 29 H GLY 29 4.574 6.431 12.207 177 1HA GLY 29 1HA GLY 29 6.050 8.761 12.956 178 2HA GLY 29 2HA GLY 29 4.354 8.427 13.247 179 H MET 30 H MET 30 4.312 6.143 14.793 180 HA MET 30 HA MET 30 4.877 7.117 17.288 181 2HB MET 30 2HB MET 30 4.798 4.425 17.740 182 2HG MET 30 2HG MET 30 2.169 4.830 16.948 183 1HE MET 30 1HE MET 30 1.115 6.945 19.409 184 2HE MET 30 2HE MET 30 0.475 5.449 18.688 185 3HE MET 30 3HE MET 30 0.770 5.537 20.441 186 H ILE 31 H ILE 31 6.709 4.660 15.334 187 HA ILE 31 HA ILE 31 8.683 4.152 17.192 188 HB ILE 31 HB ILE 31 8.333 2.785 15.257 189 2HG1 ILE 31 2HG1 ILE 31 10.549 2.723 16.253 190 1HG2 ILE 31 1HG2 ILE 31 8.412 3.438 13.072 191 2HG2 ILE 31 2HG2 ILE 31 7.854 4.956 13.815 192 3HG2 ILE 31 3HG2 ILE 31 9.569 4.754 13.383 193 1HD1 ILE 31 1HD1 ILE 31 10.320 1.289 14.324 194 2HD1 ILE 31 2HD1 ILE 31 10.484 2.665 13.206 195 3HD1 ILE 31 3HD1 ILE 31 11.886 2.119 14.159 196 H SER 32 H SER 32 8.678 6.579 14.489 197 HA SER 32 HA SER 32 11.088 7.641 14.793 198 2HB SER 32 2HB SER 32 8.695 9.491 14.577 199 HG SER 32 HG SER 32 10.613 10.569 14.188 200 H GLY 33 H GLY 33 8.287 8.038 16.981 201 1HA GLY 33 1HA GLY 33 9.418 10.149 18.536 202 2HA GLY 33 2HA GLY 33 8.032 9.153 18.931 203 H TRP 34 H TRP 34 9.227 6.543 18.812 204 HA TRP 34 HA TRP 34 10.273 6.352 21.379 205 2HB TRP 34 2HB TRP 34 10.642 4.361 19.140 206 HD1 TRP 34 HD TRP 34 10.027 4.642 23.002 207 HE1 TRP 34 1HE TRP 34 11.136 2.603 24.258 208 HE3 TRP 34 3HE TRP 34 11.693 2.289 18.812 209 HZ2 TRP 34 2HZ TRP 34 12.553 0.287 23.378 210 HZ3 TRP 34 3HZ TRP 34 12.930 0.144 19.100 211 HH2 TRP 34 HH TRP 34 13.368 -0.859 21.285 212 H ALA 35 H ALA 35 11.903 6.092 18.134 213 HA ALA 35 HA ALA 35 14.489 5.908 19.161 214 1HB ALA 35 1HB ALA 35 15.176 6.273 16.890 215 2HB ALA 35 2HB ALA 35 13.646 5.366 16.823 216 3HB ALA 35 3HB ALA 35 13.659 7.117 16.499 217 H SER 36 H SER 36 12.375 8.697 18.376 218 HA SER 36 HA SER 36 14.364 10.622 18.532 219 2HB SER 36 2HB SER 36 12.100 11.969 19.326 220 HG SER 36 HG SER 36 12.047 12.617 17.248 221 H GLY 37 H GLY 37 12.382 8.941 20.981 222 1HA GLY 37 1HA GLY 37 12.924 10.707 23.140 223 2HA GLY 37 2HA GLY 37 12.315 9.067 23.231 224 H LEU 38 H LEU 38 14.228 7.418 22.266 225 HA LEU 38 HA LEU 38 16.176 7.479 24.296 226 2HB LEU 38 2HB LEU 38 15.329 5.414 23.420 227 HG LEU 38 HG LEU 38 15.337 6.371 20.913 228 1HD1 LEU 38 1HD1 LEU 38 17.583 4.518 20.490 229 2HD1 LEU 38 2HD1 LEU 38 17.185 6.056 19.686 230 3HD1 LEU 38 3HD1 LEU 38 18.027 6.063 21.254 231 1HD2 LEU 38 1HD2 LEU 38 15.825 3.508 20.801 232 2HD2 LEU 38 2HD2 LEU 38 14.768 3.950 22.163 233 3HD2 LEU 38 3HD2 LEU 38 14.331 4.430 20.505 234 H ALA 39 H ALA 39 16.310 8.110 20.729 235 HA ALA 39 HA ALA 39 19.055 8.744 20.749 236 1HB ALA 39 1HB ALA 39 18.721 9.266 18.482 237 2HB ALA 39 2HB ALA 39 17.441 8.073 18.809 238 3HB ALA 39 3HB ALA 39 17.048 9.809 18.752 239 H GLY 40 H GLY 40 16.089 10.518 21.525 240 1HA GLY 40 1HA GLY 40 16.659 13.119 21.140 241 2HA GLY 40 2HA GLY 40 15.861 12.509 22.577 242 H MET 41 H MET 41 18.103 10.958 23.642 243 HA MET 41 HA MET 41 20.428 12.428 23.783 244 2HB MET 41 2HB MET 41 18.977 14.144 24.901 245 2HG MET 41 2HG MET 41 17.613 11.988 25.971 246 1HE MET 41 1HE MET 41 16.814 11.566 28.894 247 2HE MET 41 2HE MET 41 17.724 12.571 30.047 248 3HE MET 41 3HE MET 41 16.835 13.336 28.709 Start of MODEL 5 1 1H ALA 1 1H ALA 1 -25.229 7.981 4.152 2 HA ALA 1 HA ALA 1 -25.954 6.506 5.684 3 1HB ALA 1 1HB ALA 1 -26.928 5.002 4.332 4 2HB ALA 1 2HB ALA 1 -25.775 5.437 3.047 5 3HB ALA 1 3HB ALA 1 -25.392 4.115 4.176 6 H ARG 2 H ARG 2 -23.000 5.008 4.171 7 HA ARG 2 HA ARG 2 -21.286 4.014 5.029 8 2HB ARG 2 2HB ARG 2 -21.674 5.258 7.760 9 2HG ARG 2 2HG ARG 2 -19.454 4.336 6.022 10 2HD ARG 2 2HD ARG 2 -19.416 7.029 6.232 11 HE ARG 2 HE ARG 2 -19.284 6.450 8.909 12 1HH1 ARG 2 2HH2 ARG 2 -16.904 7.715 6.647 13 2HH1 ARG 2 1HH2 ARG 2 -16.050 8.620 7.852 14 1HH2 ARG 2 2HH1 ARG 2 -18.158 7.644 10.500 15 2HH2 ARG 2 1HH1 ARG 2 -16.769 8.580 10.058 16 H SER 3 H SER 3 -21.363 1.831 5.452 17 HA SER 3 HA SER 3 -22.602 1.014 7.929 18 2HB SER 3 2HB SER 3 -24.464 0.661 6.493 19 HG SER 3 HG SER 3 -24.334 0.025 4.400 20 H TYR 4 H TYR 4 -21.742 -1.009 5.078 21 HA TYR 4 HA TYR 4 -20.329 -2.737 4.944 22 2HB TYR 4 2HB TYR 4 -17.992 -1.916 5.030 23 HD1 TYR 4 1HD TYR 4 -19.461 1.396 5.582 24 HD2 TYR 4 2HD TYR 4 -18.559 -1.590 2.654 25 HE1 TYR 4 1HE TYR 4 -19.818 3.098 3.728 26 HE2 TYR 4 2HE TYR 4 -18.920 0.122 0.809 27 HH TYR 4 HH TYR 4 -18.775 3.179 1.136 28 H GLY 5 H GLY 5 -17.948 -3.408 6.371 29 1HA GLY 5 1HA GLY 5 -18.796 -3.723 9.160 30 2HA GLY 5 2HA GLY 5 -18.574 -5.171 8.196 31 H ASN 6 H ASN 6 -16.892 -5.484 10.031 32 HA ASN 6 HA ASN 6 -14.799 -5.734 10.552 33 2HB ASN 6 2HB ASN 6 -14.073 -4.291 7.949 34 1HD2 ASN 6 1HD2 ASN 6 -12.045 -3.725 8.089 35 2HD2 ASN 6 2HD2 ASN 6 -10.748 -4.627 8.802 36 H GLY 7 H GLY 7 -16.176 -3.515 11.612 37 1HA GLY 7 1HA GLY 7 -15.915 -1.512 12.598 38 2HA GLY 7 2HA GLY 7 -14.208 -1.900 12.658 39 H VAL 8 H VAL 8 -16.666 -0.891 10.165 40 HA VAL 8 HA VAL 8 -14.647 0.507 8.688 41 HB VAL 8 HB VAL 8 -16.893 -0.737 7.988 42 1HG1 VAL 8 1HG1 VAL 8 -17.731 2.163 8.314 43 2HG1 VAL 8 2HG1 VAL 8 -18.627 0.945 7.376 44 3HG1 VAL 8 3HG1 VAL 8 -18.428 0.745 9.133 45 1HG2 VAL 8 1HG2 VAL 8 -15.577 -0.219 6.199 46 2HG2 VAL 8 2HG2 VAL 8 -16.843 1.008 5.948 47 3HG2 VAL 8 3HG2 VAL 8 -15.311 1.458 6.736 48 H TYR 9 H TYR 9 -17.196 1.248 11.079 49 HA TYR 9 HA TYR 9 -16.321 4.057 10.970 50 2HB TYR 9 2HB TYR 9 -18.644 4.026 10.390 51 HD1 TYR 9 1HD TYR 9 -18.268 1.530 13.172 52 HD2 TYR 9 2HD TYR 9 -20.447 2.735 9.692 53 HE1 TYR 9 1HE TYR 9 -19.675 -0.582 13.312 54 HE2 TYR 9 2HE TYR 9 -21.847 0.618 9.846 55 HH TYR 9 HH TYR 9 -21.142 -1.835 12.299 56 H CYS 10 H CYS 10 -14.633 2.578 12.421 57 HA CYS 10 HA CYS 10 -13.740 2.362 14.413 58 2HB CYS 10 2HB CYS 10 -14.219 3.878 16.155 59 H ASN 11 H ASN 11 -14.376 1.640 16.852 60 HA ASN 11 HA ASN 11 -16.166 -0.551 16.451 61 2HB ASN 11 2HB ASN 11 -14.641 0.261 18.980 62 1HD2 ASN 11 1HD2 ASN 11 -14.297 -1.446 20.421 63 2HD2 ASN 11 2HD2 ASN 11 -15.325 -2.839 20.477 64 H ASN 12 H ASN 12 -15.680 1.905 19.113 65 HA ASN 12 HA ASN 12 -18.436 2.586 19.044 66 2HB ASN 12 2HB ASN 12 -19.111 1.740 21.170 67 1HD2 ASN 12 1HD2 ASN 12 -16.407 -0.352 21.315 68 2HD2 ASN 12 2HD2 ASN 12 -17.079 -1.733 20.513 69 H LYS 13 H LYS 13 -15.743 2.405 21.507 70 HA LYS 13 HA LYS 13 -15.993 5.292 21.869 71 2HB LYS 13 2HB LYS 13 -16.193 3.805 23.849 72 2HG LYS 13 2HG LYS 13 -13.250 3.359 23.929 73 2HD LYS 13 2HD LYS 13 -14.665 0.971 24.406 74 2HE LYS 13 2HE LYS 13 -13.842 3.185 26.347 75 1HZ LYS 13 1HZ LYS 13 -13.616 0.784 27.528 76 2HZ LYS 13 2HZ LYS 13 -14.822 1.851 27.794 77 3HZ LYS 13 3HZ LYS 13 -15.031 0.633 26.726 78 H LYS 14 H LYS 14 -13.773 2.692 20.831 79 HA LYS 14 HA LYS 14 -11.649 4.637 20.458 80 2HB LYS 14 2HB LYS 14 -10.248 2.720 19.988 81 2HG LYS 14 2HG LYS 14 -11.670 3.137 22.432 82 2HD LYS 14 2HD LYS 14 -12.783 0.941 22.020 83 2HE LYS 14 2HE LYS 14 -10.180 -0.512 22.325 84 1HZ LYS 14 1HZ LYS 14 -11.369 -2.140 21.316 85 2HZ LYS 14 2HZ LYS 14 -12.597 -1.340 22.037 86 3HZ LYS 14 3HZ LYS 14 -12.305 -1.124 20.445 87 H CYS 15 H CYS 15 -10.491 3.288 18.131 88 HA CYS 15 HA CYS 15 -12.346 3.188 16.042 89 2HB CYS 15 2HB CYS 15 -10.751 5.750 16.026 90 H TRP 16 H TRP 16 -10.159 1.656 17.123 91 HA TRP 16 HA TRP 16 -8.470 0.447 16.331 92 2HB TRP 16 2HB TRP 16 -8.156 0.196 14.121 93 HD1 TRP 16 HD TRP 16 -9.944 2.574 12.167 94 HE1 TRP 16 1HE TRP 16 -12.504 2.056 11.788 95 HE3 TRP 16 3HE TRP 16 -10.365 -0.794 15.954 96 HZ2 TRP 16 2HZ TRP 16 -14.375 0.336 13.084 97 HZ3 TRP 16 3HZ TRP 16 -12.593 -1.847 16.330 98 HH2 TRP 16 HH TRP 16 -14.556 -1.331 14.967 99 H VAL 17 H VAL 17 -7.754 3.633 14.743 100 HA VAL 17 HA VAL 17 -6.133 5.102 15.048 101 HB VAL 17 HB VAL 17 -6.481 4.053 17.837 102 1HG1 VAL 17 1HG1 VAL 17 -4.283 5.840 16.832 103 2HG1 VAL 17 2HG1 VAL 17 -4.981 6.121 18.445 104 3HG1 VAL 17 3HG1 VAL 17 -4.233 4.553 18.060 105 1HG2 VAL 17 1HG2 VAL 17 -8.007 5.749 16.483 106 2HG2 VAL 17 2HG2 VAL 17 -7.687 5.971 18.219 107 3HG2 VAL 17 3HG2 VAL 17 -6.777 6.919 17.019 108 H ASN 18 H ASN 18 -4.079 5.046 14.264 109 HA ASN 18 HA ASN 18 -2.264 4.108 13.484 110 2HB ASN 18 2HB ASN 18 -1.218 2.846 15.870 111 1HD2 ASN 18 1HD2 ASN 18 0.492 4.281 16.833 112 2HD2 ASN 18 2HD2 ASN 18 1.362 5.331 15.764 113 H ARG 19 H ARG 19 -3.189 2.363 12.183 114 HA ARG 19 HA ARG 19 -3.275 -0.200 13.549 115 2HB ARG 19 2HB ARG 19 -4.330 -0.007 10.761 116 2HG ARG 19 2HG ARG 19 -5.192 -1.191 13.419 117 2HD ARG 19 2HD ARG 19 -7.220 -0.164 12.333 118 HE ARG 19 HE ARG 19 -6.158 -1.530 9.948 119 1HH1 ARG 19 2HH2 ARG 19 -8.976 -0.074 11.473 120 2HH1 ARG 19 1HH2 ARG 19 -9.805 0.194 9.977 121 1HH2 ARG 19 2HH1 ARG 19 -7.253 -1.176 7.974 122 2HH2 ARG 19 1HH1 ARG 19 -8.819 -0.436 7.973 123 H GLY 20 H GLY 20 -2.107 1.553 10.613 124 1HA GLY 20 1HA GLY 20 -0.833 -0.557 9.318 125 2HA GLY 20 2HA GLY 20 -0.416 1.141 9.193 126 H GLU 21 H GLU 21 0.789 2.044 11.279 127 HA GLU 21 HA GLU 21 3.216 0.853 11.386 128 2HB GLU 21 2HB GLU 21 2.678 3.178 12.135 129 2HG GLU 21 2HG GLU 21 0.695 2.190 13.634 130 HE2 GLU 21 HE2 GLU 21 0.742 2.116 16.553 131 H ALA 22 H ALA 22 0.296 0.167 13.314 132 HA ALA 22 HA ALA 22 1.521 -1.294 15.358 133 1HB ALA 22 1HB ALA 22 -0.678 -0.681 15.793 134 2HB ALA 22 2HB ALA 22 -1.230 -1.093 14.152 135 3HB ALA 22 3HB ALA 22 -0.890 -2.385 15.327 136 H THR 23 H THR 23 0.034 -2.336 12.212 137 HA THR 23 HA THR 23 0.832 -5.052 12.606 138 HB THR 23 HB THR 23 -1.188 -4.400 11.313 139 HG1 THR 23 1HG THR 23 -0.078 -6.330 10.643 140 1HG2 THR 23 1HG2 THR 23 -0.746 -3.502 8.946 141 2HG2 THR 23 2HG2 THR 23 -0.544 -2.305 10.247 142 3HG2 THR 23 3HG2 THR 23 0.886 -3.062 9.505 143 H GLN 24 H GLN 24 2.181 -2.198 10.914 144 HA GLN 24 HA GLN 24 4.024 -3.447 9.373 145 2HB GLN 24 2HB GLN 24 5.398 -1.308 9.712 146 2HG GLN 24 2HG GLN 24 2.676 -0.258 9.291 147 1HE2 GLN 24 1HE2 GLN 24 2.844 -0.548 6.465 148 2HE2 GLN 24 2HE2 GLN 24 4.171 0.404 5.885 149 H SER 25 H SER 25 4.665 -2.091 12.696 150 HA SER 25 HA SER 25 6.176 -4.418 13.331 151 2HB SER 25 2HB SER 25 7.879 -2.075 13.833 152 HG SER 25 HG SER 25 9.391 -3.533 12.615 153 H ILE 26 H ILE 26 6.527 -4.593 15.639 154 HA ILE 26 HA ILE 26 4.647 -3.172 17.178 155 HB ILE 26 HB ILE 26 5.896 -4.342 19.078 156 2HG1 ILE 26 2HG1 ILE 26 7.836 -4.701 17.090 157 1HG2 ILE 26 1HG2 ILE 26 3.820 -5.192 18.248 158 2HG2 ILE 26 2HG2 ILE 26 4.608 -5.870 16.803 159 3HG2 ILE 26 3HG2 ILE 26 4.949 -6.559 18.409 160 1HD1 ILE 26 1HD1 ILE 26 7.674 -6.449 19.554 161 2HD1 ILE 26 2HD1 ILE 26 9.088 -5.628 18.849 162 3HD1 ILE 26 3HD1 ILE 26 7.861 -4.688 19.732 163 H ILE 27 H ILE 27 8.151 -2.811 16.546 164 HA ILE 27 HA ILE 27 8.599 -0.946 18.610 165 HB ILE 27 HB ILE 27 10.186 -2.418 17.081 166 2HG1 ILE 27 2HG1 ILE 27 10.534 -0.654 19.109 167 1HG2 ILE 27 1HG2 ILE 27 11.265 -1.273 15.332 168 2HG2 ILE 27 2HG2 ILE 27 9.525 -1.022 15.056 169 3HG2 ILE 27 3HG2 ILE 27 10.509 0.281 15.765 170 1HD1 ILE 27 1HD1 ILE 27 12.532 -1.756 19.396 171 2HD1 ILE 27 2HD1 ILE 27 11.903 -2.778 18.081 172 3HD1 ILE 27 3HD1 ILE 27 13.048 -1.466 17.718 173 H GLY 28 H GLY 28 7.413 -0.733 15.249 174 1HA GLY 28 1HA GLY 28 6.022 0.989 14.527 175 2HA GLY 28 2HA GLY 28 6.650 2.046 15.777 176 H GLY 29 H GLY 29 6.786 1.240 12.463 177 1HA GLY 29 1HA GLY 29 9.505 1.932 11.918 178 2HA GLY 29 2HA GLY 29 8.192 1.756 10.769 179 H MET 30 H MET 30 6.311 3.645 11.712 180 HA MET 30 HA MET 30 7.336 5.957 10.596 181 2HB MET 30 2HB MET 30 5.156 6.872 11.961 182 2HG MET 30 2HG MET 30 3.727 5.689 10.136 183 1HE MET 30 1HE MET 30 6.339 6.168 7.490 184 2HE MET 30 2HE MET 30 4.573 5.990 7.361 185 3HE MET 30 3HE MET 30 5.354 7.507 6.855 186 H ILE 31 H ILE 31 6.609 5.136 14.061 187 HA ILE 31 HA ILE 31 7.364 7.556 15.150 188 HB ILE 31 HB ILE 31 6.143 5.899 16.376 189 2HG1 ILE 31 2HG1 ILE 31 7.428 7.499 17.679 190 1HG2 ILE 31 1HG2 ILE 31 7.603 3.996 15.253 191 2HG2 ILE 31 2HG2 ILE 31 8.520 4.137 16.771 192 3HG2 ILE 31 3HG2 ILE 31 6.782 3.753 16.813 193 1HD1 ILE 31 1HD1 ILE 31 7.775 6.123 19.756 194 2HD1 ILE 31 2HD1 ILE 31 6.211 5.807 18.969 195 3HD1 ILE 31 3HD1 ILE 31 7.552 4.654 18.777 196 H SER 32 H SER 32 9.363 4.562 14.661 197 HA SER 32 HA SER 32 11.676 5.371 15.682 198 2HB SER 32 2HB SER 32 12.224 4.185 13.083 199 HG SER 32 HG SER 32 12.412 3.498 15.835 200 H GLY 33 H GLY 33 10.176 6.474 12.629 201 1HA GLY 33 1HA GLY 33 12.486 7.873 11.675 202 2HA GLY 33 2HA GLY 33 10.844 7.975 11.071 203 H TRP 34 H TRP 34 9.499 8.707 13.532 204 HA TRP 34 HA TRP 34 9.833 11.476 13.440 205 2HB TRP 34 2HB TRP 34 8.558 9.899 15.676 206 HD1 TRP 34 HD TRP 34 8.229 13.199 13.587 207 HE1 TRP 34 1HE TRP 34 7.171 15.116 15.061 208 HE3 TRP 34 3HE TRP 34 7.513 10.340 17.730 209 HZ2 TRP 34 2HZ TRP 34 6.176 15.218 17.733 210 HZ3 TRP 34 3HZ TRP 34 6.493 11.425 19.729 211 HH2 TRP 34 HH TRP 34 5.832 13.778 19.775 212 H ALA 35 H ALA 35 10.703 9.055 16.020 213 HA ALA 35 HA ALA 35 12.064 10.874 17.631 214 1HB ALA 35 1HB ALA 35 12.821 8.932 18.804 215 2HB ALA 35 2HB ALA 35 11.204 8.532 18.179 216 3HB ALA 35 3HB ALA 35 12.655 7.907 17.359 217 H SER 36 H SER 36 13.102 8.846 14.848 218 HA SER 36 HA SER 36 15.805 9.202 15.143 219 2HB SER 36 2HB SER 36 15.551 9.067 12.427 220 HG SER 36 HG SER 36 16.263 7.398 14.167 221 H GLY 37 H GLY 37 13.277 11.298 13.704 222 1HA GLY 37 1HA GLY 37 15.054 13.143 12.470 223 2HA GLY 37 2HA GLY 37 13.351 13.370 12.817 224 H LEU 38 H LEU 38 13.137 13.193 15.564 225 HA LEU 38 HA LEU 38 14.028 15.691 16.391 226 2HB LEU 38 2HB LEU 38 13.183 15.072 18.556 227 HG LEU 38 HG LEU 38 11.576 14.175 16.199 228 1HD1 LEU 38 1HD1 LEU 38 10.833 12.465 17.569 229 2HD1 LEU 38 2HD1 LEU 38 11.005 13.433 19.054 230 3HD1 LEU 38 3HD1 LEU 38 9.672 13.768 17.922 231 1HD2 LEU 38 1HD2 LEU 38 11.723 16.464 18.012 232 2HD2 LEU 38 2HD2 LEU 38 11.057 16.338 16.366 233 3HD2 LEU 38 3HD2 LEU 38 10.063 15.870 17.766 234 H ALA 39 H ALA 39 15.290 12.372 17.129 235 HA ALA 39 HA ALA 39 17.411 13.320 18.721 236 1HB ALA 39 1HB ALA 39 17.701 11.109 19.078 237 2HB ALA 39 2HB ALA 39 16.245 10.875 18.080 238 3HB ALA 39 3HB ALA 39 17.859 10.767 17.337 239 H GLY 40 H GLY 40 16.870 13.035 15.242 240 1HA GLY 40 1HA GLY 40 19.651 13.121 14.522 241 2HA GLY 40 2HA GLY 40 18.262 13.282 13.467 242 H MET 41 H MET 41 19.705 15.120 16.264 243 HA MET 41 HA MET 41 20.157 17.227 16.540 244 2HB MET 41 2HB MET 41 20.219 18.397 13.938 245 2HG MET 41 2HG MET 41 22.480 16.926 15.377 246 1HE MET 41 1HE MET 41 25.335 18.235 14.273 247 2HE MET 41 2HE MET 41 24.370 16.806 14.710 248 3HE MET 41 3HE MET 41 24.853 17.070 13.017 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -22.746 4.085 11.834 2 HA ALA 1 HA ALA 1 -23.309 2.616 14.011 3 1HB ALA 1 1HB ALA 1 -23.258 0.232 13.040 4 2HB ALA 1 2HB ALA 1 -24.788 1.130 12.894 5 3HB ALA 1 3HB ALA 1 -23.706 0.979 11.489 6 H ARG 2 H ARG 2 -21.611 1.860 10.879 7 HA ARG 2 HA ARG 2 -19.521 1.626 10.391 8 2HB ARG 2 2HB ARG 2 -18.523 3.064 12.853 9 2HG ARG 2 2HG ARG 2 -17.693 2.602 10.075 10 2HD ARG 2 2HD ARG 2 -16.625 5.146 10.371 11 HE ARG 2 HE ARG 2 -18.693 3.974 8.636 12 1HH1 ARG 2 2HH2 ARG 2 -16.734 6.815 9.325 13 2HH1 ARG 2 1HH2 ARG 2 -16.894 7.469 7.730 14 1HH2 ARG 2 2HH1 ARG 2 -18.903 4.836 6.531 15 2HH2 ARG 2 1HH1 ARG 2 -18.135 6.336 6.129 16 H SER 3 H SER 3 -17.759 0.149 10.778 17 HA SER 3 HA SER 3 -17.098 -0.768 13.307 18 2HB SER 3 2HB SER 3 -19.004 -2.559 11.742 19 HG SER 3 HG SER 3 -17.035 -3.599 12.844 20 H TYR 4 H TYR 4 -17.685 -2.739 10.318 21 HA TYR 4 HA TYR 4 -16.260 -3.905 9.062 22 2HB TYR 4 2HB TYR 4 -14.525 -2.384 8.022 23 HD1 TYR 4 1HD TYR 4 -16.464 -2.680 6.425 24 HD2 TYR 4 2HD TYR 4 -16.396 0.388 9.406 25 HE1 TYR 4 1HE TYR 4 -18.280 -1.414 5.175 26 HE2 TYR 4 2HE TYR 4 -18.212 1.644 8.145 27 HH TYR 4 HH TYR 4 -19.016 0.960 4.988 28 H GLY 5 H GLY 5 -15.641 -5.463 10.707 29 1HA GLY 5 1HA GLY 5 -14.225 -6.473 12.162 30 2HA GLY 5 2HA GLY 5 -13.040 -6.075 10.934 31 H ASN 6 H ASN 6 -11.540 -4.381 11.265 32 HA ASN 6 HA ASN 6 -11.908 -2.702 13.553 33 2HB ASN 6 2HB ASN 6 -10.785 -4.813 14.442 34 1HD2 ASN 6 1HD2 ASN 6 -7.859 -4.209 14.722 35 2HD2 ASN 6 2HD2 ASN 6 -7.082 -4.991 13.388 36 H GLY 7 H GLY 7 -11.076 -0.678 12.969 37 1HA GLY 7 1HA GLY 7 -9.174 0.571 12.172 38 2HA GLY 7 2HA GLY 7 -8.958 -0.620 10.906 39 H VAL 8 H VAL 8 -11.613 1.504 12.215 40 HA VAL 8 HA VAL 8 -11.925 2.763 9.680 41 HB VAL 8 HB VAL 8 -13.809 0.602 10.554 42 1HG1 VAL 8 1HG1 VAL 8 -14.562 3.242 9.485 43 2HG1 VAL 8 2HG1 VAL 8 -15.201 1.867 8.552 44 3HG1 VAL 8 3HG1 VAL 8 -15.552 2.003 10.292 45 1HG2 VAL 8 1HG2 VAL 8 -12.263 1.335 8.102 46 2HG2 VAL 8 2HG2 VAL 8 -12.529 -0.254 8.859 47 3HG2 VAL 8 3HG2 VAL 8 -13.820 0.496 7.890 48 H TYR 9 H TYR 9 -13.322 1.940 12.907 49 HA TYR 9 HA TYR 9 -15.055 3.894 13.376 50 2HB TYR 9 2HB TYR 9 -14.195 3.747 15.731 51 HD1 TYR 9 1HD TYR 9 -16.154 2.213 15.638 52 HD2 TYR 9 2HD TYR 9 -12.228 0.914 14.542 53 HE1 TYR 9 1HE TYR 9 -16.892 -0.212 15.838 54 HE2 TYR 9 2HE TYR 9 -12.979 -1.507 14.746 55 HH TYR 9 HH TYR 9 -16.329 -2.283 15.656 56 H CYS 10 H CYS 10 -11.503 4.363 14.031 57 HA CYS 10 HA CYS 10 -10.253 6.165 14.061 58 2HB CYS 10 2HB CYS 10 -11.203 8.107 12.457 59 H ASN 11 H ASN 11 -10.327 7.108 16.087 60 HA ASN 11 HA ASN 11 -12.455 7.891 17.462 61 2HB ASN 11 2HB ASN 11 -10.372 9.887 17.891 62 1HD2 ASN 11 1HD2 ASN 11 -12.186 9.904 19.457 63 2HD2 ASN 11 2HD2 ASN 11 -12.070 8.917 20.876 64 H ASN 12 H ASN 12 -10.271 10.352 15.886 65 HA ASN 12 HA ASN 12 -12.255 11.554 14.391 66 2HB ASN 12 2HB ASN 12 -13.345 12.412 16.335 67 1HD2 ASN 12 1HD2 ASN 12 -12.746 11.169 18.116 68 2HD2 ASN 12 2HD2 ASN 12 -11.624 11.726 19.312 69 H LYS 13 H LYS 13 -9.487 12.337 16.631 70 HA LYS 13 HA LYS 13 -8.267 13.906 14.492 71 2HB LYS 13 2HB LYS 13 -7.827 13.755 17.479 72 2HG LYS 13 2HG LYS 13 -6.302 15.827 16.120 73 2HD LYS 13 2HD LYS 13 -6.119 14.452 18.468 74 2HE LYS 13 2HE LYS 13 -3.770 13.356 16.896 75 1HZ LYS 13 1HZ LYS 13 -5.162 12.325 19.262 76 2HZ LYS 13 2HZ LYS 13 -3.678 11.915 18.718 77 3HZ LYS 13 3HZ LYS 13 -3.931 13.394 19.364 78 H LYS 14 H LYS 14 -7.579 11.193 16.791 79 HA LYS 14 HA LYS 14 -5.048 10.622 15.763 80 2HB LYS 14 2HB LYS 14 -5.313 8.475 16.938 81 2HG LYS 14 2HG LYS 14 -6.250 11.033 18.286 82 2HD LYS 14 2HD LYS 14 -5.690 9.715 20.456 83 2HE LYS 14 2HE LYS 14 -8.101 8.409 20.026 84 1HZ LYS 14 1HZ LYS 14 -7.206 10.747 21.204 85 2HZ LYS 14 2HZ LYS 14 -8.589 11.112 20.415 86 3HZ LYS 14 3HZ LYS 14 -8.576 9.920 21.531 87 H CYS 15 H CYS 15 -8.076 8.670 15.274 88 HA CYS 15 HA CYS 15 -8.832 7.578 13.526 89 2HB CYS 15 2HB CYS 15 -6.937 9.111 11.744 90 H TRP 16 H TRP 16 -8.334 5.435 13.185 91 HA TRP 16 HA TRP 16 -5.530 4.792 12.601 92 2HB TRP 16 2HB TRP 16 -5.624 4.217 14.840 93 HD1 TRP 16 HD TRP 16 -8.781 2.152 13.782 94 HE1 TRP 16 1HE TRP 16 -10.657 2.330 15.630 95 HE3 TRP 16 3HE TRP 16 -6.236 5.354 16.804 96 HZ2 TRP 16 2HZ TRP 16 -10.860 3.756 18.094 97 HZ3 TRP 16 3HZ TRP 16 -7.345 6.090 18.912 98 HH2 TRP 16 HH TRP 16 -9.576 5.343 19.574 99 H VAL 17 H VAL 17 -5.358 2.614 11.493 100 HA VAL 17 HA VAL 17 -7.734 1.438 10.464 101 HB VAL 17 HB VAL 17 -7.843 3.301 9.025 102 1HG1 VAL 17 1HG1 VAL 17 -4.871 2.931 8.523 103 2HG1 VAL 17 2HG1 VAL 17 -5.922 4.070 7.646 104 3HG1 VAL 17 3HG1 VAL 17 -5.652 4.273 9.394 105 1HG2 VAL 17 1HG2 VAL 17 -7.470 2.332 6.808 106 2HG2 VAL 17 2HG2 VAL 17 -6.416 1.083 7.517 107 3HG2 VAL 17 3HG2 VAL 17 -8.149 1.121 7.922 108 H ASN 18 H ASN 18 -4.184 2.004 10.109 109 HA ASN 18 HA ASN 18 -3.930 -0.808 9.441 110 2HB ASN 18 2HB ASN 18 -1.809 1.403 9.378 111 1HD2 ASN 18 1HD2 ASN 18 0.059 0.862 8.259 112 2HD2 ASN 18 2HD2 ASN 18 0.565 -0.774 8.002 113 H ARG 19 H ARG 19 -4.113 -1.741 11.577 114 HA ARG 19 HA ARG 19 -2.172 -0.741 13.494 115 2HB ARG 19 2HB ARG 19 -4.000 -2.695 14.632 116 2HG ARG 19 2HG ARG 19 -3.177 0.148 15.042 117 2HD ARG 19 2HD ARG 19 -5.731 0.225 14.968 118 HE ARG 19 HE ARG 19 -5.684 -2.150 16.330 119 1HH1 ARG 19 2HH2 ARG 19 -6.806 1.058 17.242 120 2HH1 ARG 19 1HH2 ARG 19 -8.020 0.465 18.324 121 1HH2 ARG 19 2HH1 ARG 19 -7.287 -2.933 17.758 122 2HH2 ARG 19 1HH1 ARG 19 -8.297 -1.820 18.619 123 H GLY 20 H GLY 20 -3.566 -3.715 11.979 124 1HA GLY 20 1HA GLY 20 -1.986 -5.624 13.255 125 2HA GLY 20 2HA GLY 20 -2.733 -5.779 11.677 126 H GLU 21 H GLU 21 -1.560 -4.542 9.815 127 HA GLU 21 HA GLU 21 0.977 -5.563 9.613 128 2HB GLU 21 2HB GLU 21 0.031 -3.136 8.049 129 2HG GLU 21 2HG GLU 21 2.330 -4.518 7.781 130 HE2 GLU 21 HE2 GLU 21 0.841 -5.420 4.920 131 H ALA 22 H ALA 22 -0.173 -2.670 11.193 132 HA ALA 22 HA ALA 22 2.149 -1.102 10.975 133 1HB ALA 22 1HB ALA 22 1.040 -0.225 13.262 134 2HB ALA 22 2HB ALA 22 0.341 0.140 11.666 135 3HB ALA 22 3HB ALA 22 -0.331 -1.183 12.650 136 H THR 23 H THR 23 0.955 -3.379 13.539 137 HA THR 23 HA THR 23 3.508 -3.181 14.900 138 HB THR 23 HB THR 23 1.286 -3.222 16.103 139 HG1 THR 23 1HG THR 23 2.990 -4.037 17.346 140 1HG2 THR 23 1HG2 THR 23 -0.032 -5.216 16.202 141 2HG2 THR 23 2HG2 THR 23 0.301 -5.023 14.465 142 3HG2 THR 23 3HG2 THR 23 1.238 -6.191 15.426 143 H GLN 24 H GLN 24 1.618 -5.589 13.001 144 HA GLN 24 HA GLN 24 3.247 -7.729 13.405 145 2HB GLN 24 2HB GLN 24 2.436 -8.448 11.074 146 2HG GLN 24 2HG GLN 24 -0.004 -7.444 12.441 147 1HE2 GLN 24 1HE2 GLN 24 -1.537 -8.703 11.739 148 2HE2 GLN 24 2HE2 GLN 24 -1.396 -10.348 11.212 149 H SER 25 H SER 25 3.485 -5.189 10.818 150 HA SER 25 HA SER 25 5.694 -6.249 9.577 151 2HB SER 25 2HB SER 25 4.213 -4.389 8.727 152 HG SER 25 HG SER 25 4.673 -3.151 10.908 153 H ILE 26 H ILE 26 7.889 -6.267 10.044 154 HA ILE 26 HA ILE 26 8.725 -5.620 12.635 155 HB ILE 26 HB ILE 26 11.002 -6.060 11.685 156 2HG1 ILE 26 2HG1 ILE 26 9.551 -5.707 9.192 157 1HG2 ILE 26 1HG2 ILE 26 8.757 -8.049 11.311 158 2HG2 ILE 26 2HG2 ILE 26 10.477 -8.477 11.157 159 3HG2 ILE 26 3HG2 ILE 26 9.849 -7.861 12.704 160 1HD1 ILE 26 1HD1 ILE 26 12.448 -6.353 9.188 161 2HD1 ILE 26 2HD1 ILE 26 11.598 -4.934 8.531 162 3HD1 ILE 26 3HD1 ILE 26 11.997 -5.010 10.264 163 H ILE 27 H ILE 27 8.910 -3.891 9.489 164 HA ILE 27 HA ILE 27 10.634 -1.874 10.261 165 HB ILE 27 HB ILE 27 9.262 -0.559 8.495 166 2HG1 ILE 27 2HG1 ILE 27 7.492 -2.679 8.871 167 1HG2 ILE 27 1HG2 ILE 27 11.251 -2.647 8.343 168 2HG2 ILE 27 2HG2 ILE 27 10.239 -2.637 6.879 169 3HG2 ILE 27 3HG2 ILE 27 11.088 -1.156 7.384 170 1HD1 ILE 27 1HD1 ILE 27 7.189 -0.288 7.915 171 2HD1 ILE 27 2HD1 ILE 27 7.655 -0.991 6.347 172 3HD1 ILE 27 3HD1 ILE 27 6.202 -1.581 7.190 173 H GLY 28 H GLY 28 7.156 -2.371 10.910 174 1HA GLY 28 1HA GLY 28 5.736 -1.312 12.292 175 2HA GLY 28 2HA GLY 28 7.140 -0.758 13.184 176 H GLY 29 H GLY 29 4.694 0.058 10.777 177 1HA GLY 29 1HA GLY 29 5.858 2.524 9.925 178 2HA GLY 29 2HA GLY 29 4.216 1.969 9.667 179 H MET 30 H MET 30 3.180 1.616 12.215 180 HA MET 30 HA MET 30 2.536 4.189 12.921 181 2HB MET 30 2HB MET 30 1.932 2.800 15.195 182 2HG MET 30 2HG MET 30 0.167 1.639 13.309 183 1HE MET 30 1HE MET 30 -2.157 4.841 13.550 184 2HE MET 30 2HE MET 30 -1.640 3.469 12.539 185 3HE MET 30 3HE MET 30 -2.752 3.201 13.903 186 H ILE 31 H ILE 31 4.797 1.857 14.549 187 HA ILE 31 HA ILE 31 5.521 3.494 16.649 188 HB ILE 31 HB ILE 31 6.020 1.152 16.590 189 2HG1 ILE 31 2HG1 ILE 31 7.429 2.535 18.007 190 1HG2 ILE 31 1HG2 ILE 31 8.237 1.459 14.615 191 2HG2 ILE 31 2HG2 ILE 31 7.244 0.038 15.019 192 3HG2 ILE 31 3HG2 ILE 31 6.570 1.337 14.005 193 1HD1 ILE 31 1HD1 ILE 31 9.550 1.106 17.937 194 2HD1 ILE 31 2HD1 ILE 31 8.024 0.197 18.055 195 3HD1 ILE 31 3HD1 ILE 31 8.870 0.318 16.493 196 H SER 32 H SER 32 7.131 3.098 13.416 197 HA SER 32 HA SER 32 9.176 4.765 13.699 198 2HB SER 32 2HB SER 32 7.445 4.983 11.220 199 HG SER 32 HG SER 32 9.739 5.923 11.564 200 H GLY 33 H GLY 33 5.723 5.646 13.370 201 1HA GLY 33 1HA GLY 33 6.146 8.431 12.945 202 2HA GLY 33 2HA GLY 33 4.655 7.634 13.404 203 H TRP 34 H TRP 34 5.494 6.340 15.828 204 HA TRP 34 HA TRP 34 5.077 8.357 17.668 205 2HB TRP 34 2HB TRP 34 6.453 5.720 18.192 206 HD1 TRP 34 HD TRP 34 3.966 8.306 19.773 207 HE1 TRP 34 1HE TRP 34 4.188 8.303 22.402 208 HE3 TRP 34 3HE TRP 34 7.438 4.598 20.000 209 HZ2 TRP 34 2HZ TRP 34 5.757 6.785 24.241 210 HZ3 TRP 34 3HZ TRP 34 8.262 3.915 22.251 211 HH2 TRP 34 HH TRP 34 7.478 4.943 24.325 212 H ALA 35 H ALA 35 8.141 6.681 16.662 213 HA ALA 35 HA ALA 35 9.792 8.258 18.311 214 1HB ALA 35 1HB ALA 35 10.570 6.828 15.746 215 2HB ALA 35 2HB ALA 35 11.585 7.159 17.171 216 3HB ALA 35 3HB ALA 35 10.263 5.972 17.276 217 H SER 36 H SER 36 8.486 8.600 15.000 218 HA SER 36 HA SER 36 10.217 10.632 14.219 219 2HB SER 36 2HB SER 36 7.352 10.119 13.302 220 HG SER 36 HG SER 36 7.787 11.728 11.967 221 H GLY 37 H GLY 37 7.179 10.552 16.096 222 1HA GLY 37 1HA GLY 37 6.672 13.361 15.971 223 2HA GLY 37 2HA GLY 37 5.937 12.186 17.043 224 H LEU 38 H LEU 38 8.078 11.117 18.466 225 HA LEU 38 HA LEU 38 8.510 13.042 20.403 226 2HB LEU 38 2HB LEU 38 10.052 11.453 21.376 227 HG LEU 38 HG LEU 38 7.531 10.355 20.197 228 1HD1 LEU 38 1HD1 LEU 38 9.831 8.716 21.131 229 2HD1 LEU 38 2HD1 LEU 38 8.209 8.246 21.694 230 3HD1 LEU 38 3HD1 LEU 38 8.551 8.344 19.951 231 1HD2 LEU 38 1HD2 LEU 38 8.163 10.031 23.059 232 2HD2 LEU 38 2HD2 LEU 38 8.089 11.714 22.487 233 3HD2 LEU 38 3HD2 LEU 38 6.692 10.636 22.261 234 H ALA 39 H ALA 39 10.717 11.853 17.783 235 HA ALA 39 HA ALA 39 12.821 13.580 18.467 236 1HB ALA 39 1HB ALA 39 12.655 12.888 15.629 237 2HB ALA 39 2HB ALA 39 13.853 12.396 16.851 238 3HB ALA 39 3HB ALA 39 12.335 11.483 16.675 239 H GLY 40 H GLY 40 9.768 14.027 16.770 240 1HA GLY 40 1HA GLY 40 10.543 16.368 15.317 241 2HA GLY 40 2HA GLY 40 8.922 15.759 15.584 242 H MET 41 H MET 41 11.645 17.134 17.577 243 HA MET 41 HA MET 41 11.616 18.457 19.319 244 2HB MET 41 2HB MET 41 9.998 20.552 18.880 245 2HG MET 41 2HG MET 41 11.641 20.754 16.593 246 1HE MET 41 1HE MET 41 12.050 23.760 17.219 247 2HE MET 41 2HE MET 41 10.617 22.710 17.113 248 3HE MET 41 3HE MET 41 10.841 23.772 18.525 Start of MODEL 7 1 1H ALA 1 1H ALA 1 -12.739 -2.192 2.980 2 HA ALA 1 HA ALA 1 -14.705 -1.960 5.065 3 1HB ALA 1 1HB ALA 1 -16.176 -1.810 3.141 4 2HB ALA 1 2HB ALA 1 -15.379 -3.202 2.368 5 3HB ALA 1 3HB ALA 1 -16.339 -3.434 3.849 6 H ARG 2 H ARG 2 -12.776 -2.866 6.142 7 HA ARG 2 HA ARG 2 -11.904 -5.418 5.254 8 2HB ARG 2 2HB ARG 2 -10.770 -5.206 7.711 9 2HG ARG 2 2HG ARG 2 -10.102 -4.092 5.028 10 2HD ARG 2 2HD ARG 2 -8.088 -3.382 7.096 11 HE ARG 2 HE ARG 2 -8.815 -1.324 5.247 12 1HH1 ARG 2 2HH2 ARG 2 -7.467 -4.575 5.261 13 2HH1 ARG 2 1HH2 ARG 2 -6.579 -4.350 3.791 14 1HH2 ARG 2 2HH1 ARG 2 -7.644 -1.027 3.308 15 2HH2 ARG 2 1HH1 ARG 2 -6.680 -2.319 2.673 16 H SER 3 H SER 3 -12.969 -4.386 8.576 17 HA SER 3 HA SER 3 -14.548 -5.188 9.883 18 2HB SER 3 2HB SER 3 -16.261 -6.605 9.163 19 HG SER 3 HG SER 3 -15.551 -4.851 7.433 20 H TYR 4 H TYR 4 -12.642 -5.655 11.218 21 HA TYR 4 HA TYR 4 -11.983 -8.524 11.258 22 2HB TYR 4 2HB TYR 4 -10.033 -6.964 12.645 23 HD1 TYR 4 1HD TYR 4 -9.585 -6.388 9.128 24 HD2 TYR 4 2HD TYR 4 -9.247 -9.367 12.181 25 HE1 TYR 4 1HE TYR 4 -8.025 -7.742 7.645 26 HE2 TYR 4 2HE TYR 4 -7.689 -10.711 10.687 27 HH TYR 4 HH TYR 4 -6.104 -9.507 8.193 28 H GLY 5 H GLY 5 -12.047 -5.541 13.345 29 1HA GLY 5 1HA GLY 5 -13.268 -7.192 15.463 30 2HA GLY 5 2HA GLY 5 -11.855 -6.210 15.800 31 H ASN 6 H ASN 6 -12.835 -4.744 17.242 32 HA ASN 6 HA ASN 6 -15.267 -3.485 16.488 33 2HB ASN 6 2HB ASN 6 -13.295 -3.133 18.791 34 1HD2 ASN 6 1HD2 ASN 6 -16.174 -1.899 17.172 35 2HD2 ASN 6 2HD2 ASN 6 -16.323 -0.416 18.054 36 H GLY 7 H GLY 7 -14.197 -2.686 14.349 37 1HA GLY 7 1HA GLY 7 -13.873 -0.594 13.353 38 2HA GLY 7 2HA GLY 7 -13.091 -0.006 14.807 39 H VAL 8 H VAL 8 -12.342 -0.417 11.749 40 HA VAL 8 HA VAL 8 -9.590 -0.988 12.318 41 HB VAL 8 HB VAL 8 -10.020 -3.216 12.041 42 1HG1 VAL 8 1HG1 VAL 8 -12.408 -2.278 10.637 43 2HG1 VAL 8 2HG1 VAL 8 -11.674 -3.704 9.864 44 3HG1 VAL 8 3HG1 VAL 8 -12.143 -3.763 11.580 45 1HG2 VAL 8 1HG2 VAL 8 -8.764 -3.737 10.245 46 2HG2 VAL 8 2HG2 VAL 8 -9.886 -2.953 9.108 47 3HG2 VAL 8 3HG2 VAL 8 -8.686 -1.978 9.988 48 H TYR 9 H TYR 9 -11.382 -1.408 9.225 49 HA TYR 9 HA TYR 9 -9.833 0.073 7.638 50 2HB TYR 9 2HB TYR 9 -11.766 -1.056 6.733 51 HD1 TYR 9 1HD TYR 9 -13.039 -2.480 8.180 52 HD2 TYR 9 2HD TYR 9 -13.770 1.735 8.133 53 HE1 TYR 9 1HE TYR 9 -15.171 -2.828 9.519 54 HE2 TYR 9 2HE TYR 9 -15.901 1.373 9.472 55 HH TYR 9 HH TYR 9 -16.957 -0.114 10.800 56 H CYS 10 H CYS 10 -12.374 1.363 9.853 57 HA CYS 10 HA CYS 10 -11.022 3.893 9.826 58 2HB CYS 10 2HB CYS 10 -13.014 5.202 9.226 59 H ASN 11 H ASN 11 -11.566 5.106 11.745 60 HA ASN 11 HA ASN 11 -12.289 3.597 13.903 61 2HB ASN 11 2HB ASN 11 -12.703 6.620 13.716 62 1HD2 ASN 11 1HD2 ASN 11 -12.689 7.634 15.641 63 2HD2 ASN 11 2HD2 ASN 11 -12.653 6.846 17.183 64 H ASN 12 H ASN 12 -14.167 6.351 12.403 65 HA ASN 12 HA ASN 12 -16.551 4.866 12.399 66 2HB ASN 12 2HB ASN 12 -17.005 5.270 14.651 67 1HD2 ASN 12 1HD2 ASN 12 -15.287 5.275 15.963 68 2HD2 ASN 12 2HD2 ASN 12 -14.400 6.679 16.457 69 H LYS 13 H LYS 13 -15.513 8.314 13.025 70 HA LYS 13 HA LYS 13 -17.060 9.120 10.683 71 2HB LYS 13 2HB LYS 13 -17.559 10.249 12.799 72 2HG LYS 13 2HG LYS 13 -14.767 10.162 13.195 73 2HD LYS 13 2HD LYS 13 -15.614 12.779 12.107 74 2HE LYS 13 2HE LYS 13 -15.700 13.261 14.587 75 1HZ LYS 13 1HZ LYS 13 -13.080 13.292 15.211 76 2HZ LYS 13 2HZ LYS 13 -14.170 12.206 15.759 77 3HZ LYS 13 3HZ LYS 13 -13.244 11.851 14.461 78 H LYS 14 H LYS 14 -13.779 8.766 11.961 79 HA LYS 14 HA LYS 14 -12.681 10.300 9.758 80 2HB LYS 14 2HB LYS 14 -10.561 10.018 10.875 81 2HG LYS 14 2HG LYS 14 -12.813 10.534 12.876 82 2HD LYS 14 2HD LYS 14 -11.020 12.013 13.944 83 2HE LYS 14 2HE LYS 14 -9.791 10.054 15.011 84 1HZ LYS 14 1HZ LYS 14 -11.723 9.228 16.013 85 2HZ LYS 14 2HZ LYS 14 -12.063 10.782 15.647 86 3HZ LYS 14 3HZ LYS 14 -12.671 9.575 14.729 87 H CYS 15 H CYS 15 -10.256 8.509 9.676 88 HA CYS 15 HA CYS 15 -11.105 5.968 8.827 89 2HB CYS 15 2HB CYS 15 -10.148 6.741 6.364 90 H TRP 16 H TRP 16 -9.298 4.713 9.181 91 HA TRP 16 HA TRP 16 -6.686 5.900 8.630 92 2HB TRP 16 2HB TRP 16 -6.954 6.367 10.946 93 HD1 TRP 16 HD TRP 16 -7.852 2.579 10.613 94 HE1 TRP 16 1HE TRP 16 -9.274 1.779 12.686 95 HE3 TRP 16 3HE TRP 16 -7.601 6.980 13.147 96 HZ2 TRP 16 2HZ TRP 16 -10.115 3.049 15.100 97 HZ3 TRP 16 3HZ TRP 16 -8.749 7.115 15.355 98 HH2 TRP 16 HH TRP 16 -9.975 5.242 16.336 99 H VAL 17 H VAL 17 -5.142 3.716 9.515 100 HA VAL 17 HA VAL 17 -6.326 1.463 8.049 101 HB VAL 17 HB VAL 17 -3.682 2.830 7.731 102 1HG1 VAL 17 1HG1 VAL 17 -4.130 -0.096 7.758 103 2HG1 VAL 17 2HG1 VAL 17 -3.270 0.531 6.331 104 3HG1 VAL 17 3HG1 VAL 17 -2.630 0.842 7.963 105 1HG2 VAL 17 1HG2 VAL 17 -4.206 2.892 5.477 106 2HG2 VAL 17 2HG2 VAL 17 -5.257 1.459 5.569 107 3HG2 VAL 17 3HG2 VAL 17 -5.820 3.019 6.216 108 H ASN 18 H ASN 18 -6.506 -0.304 9.318 109 HA ASN 18 HA ASN 18 -6.171 -1.741 10.904 110 2HB ASN 18 2HB ASN 18 -3.453 -1.060 11.789 111 1HD2 ASN 18 1HD2 ASN 18 -2.271 -2.886 12.009 112 2HD2 ASN 18 2HD2 ASN 18 -2.836 -4.481 11.642 113 H ARG 19 H ARG 19 -7.292 -1.279 12.807 114 HA ARG 19 HA ARG 19 -7.159 1.116 14.104 115 2HB ARG 19 2HB ARG 19 -7.867 -0.886 16.039 116 2HG ARG 19 2HG ARG 19 -10.014 0.177 14.273 117 2HD ARG 19 2HD ARG 19 -10.968 0.873 16.409 118 HE ARG 19 HE ARG 19 -10.402 -1.782 15.919 119 1HH1 ARG 19 2HH2 ARG 19 -10.509 0.152 18.857 120 2HH1 ARG 19 1HH2 ARG 19 -10.963 -1.179 19.869 121 1HH2 ARG 19 2HH1 ARG 19 -11.001 -3.538 17.253 122 2HH2 ARG 19 1HH1 ARG 19 -11.246 -3.292 18.951 123 H GLY 20 H GLY 20 -5.104 -1.755 14.336 124 1HA GLY 20 1HA GLY 20 -4.027 -1.611 16.848 125 2HA GLY 20 2HA GLY 20 -3.157 -2.104 15.410 126 H GLU 21 H GLU 21 -2.104 -0.382 14.055 127 HA GLU 21 HA GLU 21 -0.495 1.204 15.544 128 2HB GLU 21 2HB GLU 21 0.021 0.652 13.234 129 2HG GLU 21 2HG GLU 21 -2.400 2.388 12.564 130 HE2 GLU 21 HE2 GLU 21 -1.671 3.625 10.623 131 H ALA 22 H ALA 22 -3.757 1.886 14.262 132 HA ALA 22 HA ALA 22 -3.772 4.642 14.532 133 1HB ALA 22 1HB ALA 22 -6.111 2.787 15.090 134 2HB ALA 22 2HB ALA 22 -6.149 4.430 14.407 135 3HB ALA 22 3HB ALA 22 -5.486 3.084 13.449 136 H THR 23 H THR 23 -4.582 2.038 16.919 137 HA THR 23 HA THR 23 -5.217 3.843 18.997 138 HB THR 23 HB THR 23 -4.552 0.884 18.748 139 HG1 THR 23 1HG THR 23 -6.852 0.954 19.477 140 1HG2 THR 23 1HG2 THR 23 -5.311 2.407 21.297 141 2HG2 THR 23 2HG2 THR 23 -5.226 0.636 21.130 142 3HG2 THR 23 3HG2 THR 23 -3.742 1.614 21.015 143 H GLN 24 H GLN 24 -2.180 2.171 18.029 144 HA GLN 24 HA GLN 24 -0.685 2.751 20.205 145 2HB GLN 24 2HB GLN 24 1.280 2.719 18.618 146 2HG GLN 24 2HG GLN 24 0.675 0.452 17.576 147 1HE2 GLN 24 1HE2 GLN 24 2.075 -0.592 18.759 148 2HE2 GLN 24 2HE2 GLN 24 2.052 -0.802 20.479 149 H SER 25 H SER 25 -0.834 4.778 17.180 150 HA SER 25 HA SER 25 -0.341 7.065 18.918 151 2HB SER 25 2HB SER 25 1.722 6.908 17.820 152 HG SER 25 HG SER 25 0.187 5.733 15.749 153 H ILE 26 H ILE 26 -1.573 8.943 18.448 154 HA ILE 26 HA ILE 26 -3.946 8.487 16.970 155 HB ILE 26 HB ILE 26 -2.762 10.849 18.404 156 2HG1 ILE 26 2HG1 ILE 26 -3.988 8.640 19.389 157 1HG2 ILE 26 1HG2 ILE 26 -4.743 12.131 17.976 158 2HG2 ILE 26 2HG2 ILE 26 -4.048 11.632 16.415 159 3HG2 ILE 26 3HG2 ILE 26 -5.476 10.791 17.064 160 1HD1 ILE 26 1HD1 ILE 26 -4.397 11.462 20.475 161 2HD1 ILE 26 2HD1 ILE 26 -4.370 9.947 21.410 162 3HD1 ILE 26 3HD1 ILE 26 -2.882 10.543 20.639 163 H ILE 27 H ILE 27 -1.012 10.555 16.469 164 HA ILE 27 HA ILE 27 -1.929 11.456 13.936 165 HB ILE 27 HB ILE 27 0.516 12.199 13.775 166 2HG1 ILE 27 2HG1 ILE 27 1.115 10.429 15.623 167 1HG2 ILE 27 1HG2 ILE 27 -0.815 13.965 14.254 168 2HG2 ILE 27 2HG2 ILE 27 -1.623 13.138 15.607 169 3HG2 ILE 27 3HG2 ILE 27 -0.005 13.844 15.834 170 1HD1 ILE 27 1HD1 ILE 27 2.608 12.730 16.460 171 2HD1 ILE 27 2HD1 ILE 27 3.107 11.455 15.323 172 3HD1 ILE 27 3HD1 ILE 27 2.279 12.910 14.719 173 H GLY 28 H GLY 28 0.086 8.759 15.140 174 1HA GLY 28 1HA GLY 28 0.388 6.761 14.033 175 2HA GLY 28 2HA GLY 28 -0.152 7.485 12.532 176 H GLY 29 H GLY 29 1.671 9.911 13.003 177 1HA GLY 29 1HA GLY 29 3.939 8.878 11.606 178 2HA GLY 29 2HA GLY 29 3.665 10.526 12.134 179 H MET 30 H MET 30 3.065 9.038 14.946 180 HA MET 30 HA MET 30 5.416 9.781 16.129 181 2HB MET 30 2HB MET 30 4.473 7.913 17.885 182 2HG MET 30 2HG MET 30 2.582 9.683 18.407 183 1HE MET 30 1HE MET 30 4.337 12.570 18.161 184 2HE MET 30 2HE MET 30 3.367 12.203 19.607 185 3HE MET 30 3HE MET 30 5.088 12.619 19.775 186 H ILE 31 H ILE 31 4.452 6.666 14.654 187 HA ILE 31 HA ILE 31 6.397 5.037 15.735 188 HB ILE 31 HB ILE 31 4.533 4.190 14.493 189 2HG1 ILE 31 2HG1 ILE 31 6.508 2.777 14.596 190 1HG2 ILE 31 1HG2 ILE 31 4.749 6.223 12.802 191 2HG2 ILE 31 2HG2 ILE 31 5.640 5.014 11.847 192 3HG2 ILE 31 3HG2 ILE 31 3.962 4.693 12.343 193 1HD1 ILE 31 1HD1 ILE 31 4.710 1.788 13.337 194 2HD1 ILE 31 2HD1 ILE 31 5.046 2.816 11.923 195 3HD1 ILE 31 3HD1 ILE 31 6.186 1.527 12.378 196 H SER 32 H SER 32 6.518 6.998 12.680 197 HA SER 32 HA SER 32 8.970 6.350 11.845 198 2HB SER 32 2HB SER 32 8.445 9.279 11.786 199 HG SER 32 HG SER 32 9.029 9.021 9.701 200 H GLY 33 H GLY 33 8.112 8.720 14.436 201 1HA GLY 33 1HA GLY 33 10.707 9.689 14.910 202 2HA GLY 33 2HA GLY 33 9.349 9.732 16.015 203 H TRP 34 H TRP 34 8.838 6.900 16.259 204 HA TRP 34 HA TRP 34 10.575 6.250 18.312 205 2HB TRP 34 2HB TRP 34 8.961 4.311 16.651 206 HD1 TRP 34 HD TRP 34 10.229 5.003 20.293 207 HE1 TRP 34 1HE TRP 34 10.559 2.733 21.597 208 HE3 TRP 34 3HE TRP 34 8.563 2.000 16.543 209 HZ2 TRP 34 2HZ TRP 34 10.098 -0.004 20.928 210 HZ3 TRP 34 3HZ TRP 34 8.535 -0.459 16.950 211 HH2 TRP 34 HH TRP 34 9.267 -1.469 19.052 212 H ALA 35 H ALA 35 10.416 4.987 14.899 213 HA ALA 35 HA ALA 35 12.728 3.433 15.104 214 1HB ALA 35 1HB ALA 35 10.860 3.351 13.365 215 2HB ALA 35 2HB ALA 35 11.641 4.751 12.593 216 3HB ALA 35 3HB ALA 35 12.517 3.208 12.732 217 H SER 36 H SER 36 12.159 6.884 14.332 218 HA SER 36 HA SER 36 14.648 7.425 13.286 219 2HB SER 36 2HB SER 36 13.614 9.635 14.902 220 HG SER 36 HG SER 36 14.726 10.089 12.990 221 H GLY 37 H GLY 37 13.470 7.151 16.658 222 1HA GLY 37 1HA GLY 37 15.810 8.256 17.870 223 2HA GLY 37 2HA GLY 37 14.521 7.360 18.649 224 H LEU 38 H LEU 38 14.560 4.906 17.244 225 HA LEU 38 HA LEU 38 16.649 3.596 18.550 226 2HB LEU 38 2HB LEU 38 15.878 1.626 17.372 227 HG LEU 38 HG LEU 38 13.752 3.468 18.419 228 1HD1 LEU 38 1HD1 LEU 38 13.313 1.040 16.748 229 2HD1 LEU 38 2HD1 LEU 38 12.287 1.259 18.185 230 3HD1 LEU 38 3HD1 LEU 38 12.330 2.514 16.923 231 1HD2 LEU 38 1HD2 LEU 38 15.237 1.061 19.342 232 2HD2 LEU 38 2HD2 LEU 38 14.723 2.514 20.234 233 3HD2 LEU 38 3HD2 LEU 38 13.545 1.231 19.869 234 H ALA 39 H ALA 39 16.175 4.460 15.060 235 HA ALA 39 HA ALA 39 18.667 3.409 14.266 236 1HB ALA 39 1HB ALA 39 17.771 3.833 12.247 237 2HB ALA 39 2HB ALA 39 16.357 4.523 13.079 238 3HB ALA 39 3HB ALA 39 17.704 5.578 12.590 239 H GLY 40 H GLY 40 17.645 6.381 15.847 240 1HA GLY 40 1HA GLY 40 19.889 7.971 15.077 241 2HA GLY 40 2HA GLY 40 18.738 8.292 16.359 242 H MET 41 H MET 41 21.516 6.108 15.532 243 HA MET 41 HA MET 41 22.020 5.773 18.349 244 2HB MET 41 2HB MET 41 23.999 4.670 16.431 245 2HG MET 41 2HG MET 41 23.537 3.897 18.834 246 1HE MET 41 1HE MET 41 21.449 2.770 20.754 247 2HE MET 41 2HE MET 41 22.070 4.351 20.221 248 3HE MET 41 3HE MET 41 20.316 4.047 20.250 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -16.694 7.659 22.192 2 HA ALA 1 HA ALA 1 -16.403 7.376 20.013 3 1HB ALA 1 1HB ALA 1 -14.727 9.343 19.107 4 2HB ALA 1 2HB ALA 1 -16.448 9.587 19.484 5 3HB ALA 1 3HB ALA 1 -15.207 10.004 20.688 6 H ARG 2 H ARG 2 -15.344 5.678 19.130 7 HA ARG 2 HA ARG 2 -12.735 5.082 20.053 8 2HB ARG 2 2HB ARG 2 -13.221 3.339 17.935 9 2HG ARG 2 2HG ARG 2 -12.757 2.918 20.467 10 2HD ARG 2 2HD ARG 2 -15.175 4.015 20.924 11 HE ARG 2 HE ARG 2 -15.968 1.630 19.689 12 1HH1 ARG 2 2HH2 ARG 2 -16.421 3.106 22.851 13 2HH1 ARG 2 1HH2 ARG 2 -17.956 2.350 23.124 14 1HH2 ARG 2 2HH1 ARG 2 -17.992 0.633 20.049 15 2HH2 ARG 2 1HH1 ARG 2 -18.855 0.934 21.521 16 H SER 3 H SER 3 -10.926 4.510 18.417 17 HA SER 3 HA SER 3 -10.826 5.216 15.856 18 2HB SER 3 2HB SER 3 -9.523 7.628 16.687 19 HG SER 3 HG SER 3 -11.542 8.500 15.480 20 H TYR 4 H TYR 4 -9.188 5.741 19.028 21 HA TYR 4 HA TYR 4 -7.024 5.555 19.609 22 2HB TYR 4 2HB TYR 4 -6.263 3.116 18.832 23 HD1 TYR 4 1HD TYR 4 -9.929 3.158 19.410 24 HD2 TYR 4 2HD TYR 4 -6.058 2.803 21.197 25 HE1 TYR 4 1HE TYR 4 -10.996 2.383 21.583 26 HE2 TYR 4 2HE TYR 4 -7.139 2.029 23.365 27 HH TYR 4 HH TYR 4 -10.271 0.976 23.541 28 H GLY 5 H GLY 5 -7.391 6.973 17.010 29 1HA GLY 5 1HA GLY 5 -5.929 7.922 15.561 30 2HA GLY 5 2HA GLY 5 -4.651 6.885 16.164 31 H ASN 6 H ASN 6 -5.603 7.633 13.336 32 HA ASN 6 HA ASN 6 -5.495 6.630 11.403 33 2HB ASN 6 2HB ASN 6 -5.571 3.837 12.591 34 1HD2 ASN 6 1HD2 ASN 6 -3.642 6.114 10.635 35 2HD2 ASN 6 2HD2 ASN 6 -3.482 5.113 9.231 36 H GLY 7 H GLY 7 -7.231 4.222 13.535 37 1HA GLY 7 1HA GLY 7 -9.802 4.805 13.250 38 2HA GLY 7 2HA GLY 7 -9.462 4.145 11.662 39 H VAL 8 H VAL 8 -10.260 3.413 14.924 40 HA VAL 8 HA VAL 8 -9.304 0.668 14.703 41 HB VAL 8 HB VAL 8 -9.180 2.322 16.758 42 1HG1 VAL 8 1HG1 VAL 8 -11.924 1.057 17.054 43 2HG1 VAL 8 2HG1 VAL 8 -11.025 1.844 18.373 44 3HG1 VAL 8 3HG1 VAL 8 -11.542 2.793 16.958 45 1HG2 VAL 8 1HG2 VAL 8 -8.804 0.464 18.162 46 2HG2 VAL 8 2HG2 VAL 8 -9.987 -0.543 17.292 47 3HG2 VAL 8 3HG2 VAL 8 -8.439 -0.122 16.521 48 H TYR 9 H TYR 9 -12.304 2.646 14.915 49 HA TYR 9 HA TYR 9 -14.250 0.883 15.277 50 2HB TYR 9 2HB TYR 9 -14.941 3.072 14.675 51 HD1 TYR 9 1HD TYR 9 -13.163 4.696 14.874 52 HD2 TYR 9 2HD TYR 9 -13.705 2.509 11.237 53 HE1 TYR 9 1HE TYR 9 -11.592 6.292 13.672 54 HE2 TYR 9 2HE TYR 9 -12.131 4.113 10.047 55 HH TYR 9 HH TYR 9 -10.047 6.052 11.570 56 H CYS 10 H CYS 10 -12.395 1.245 12.190 57 HA CYS 10 HA CYS 10 -12.198 -0.059 10.438 58 2HB CYS 10 2HB CYS 10 -12.893 -2.204 12.447 59 H ASN 11 H ASN 11 -13.488 -1.435 8.816 60 HA ASN 11 HA ASN 11 -16.291 -0.754 9.148 61 2HB ASN 11 2HB ASN 11 -14.519 -1.279 6.723 62 1HD2 ASN 11 1HD2 ASN 11 -15.386 -2.685 5.388 63 2HD2 ASN 11 2HD2 ASN 11 -17.039 -2.750 4.874 64 H ASN 12 H ASN 12 -14.624 -3.202 7.050 65 HA ASN 12 HA ASN 12 -15.484 -5.378 8.616 66 2HB ASN 12 2HB ASN 12 -16.932 -6.333 6.651 67 1HD2 ASN 12 1HD2 ASN 12 -18.203 -3.158 7.080 68 2HD2 ASN 12 2HD2 ASN 12 -19.302 -3.482 8.380 69 H LYS 13 H LYS 13 -15.376 -4.928 5.007 70 HA LYS 13 HA LYS 13 -13.153 -6.809 4.915 71 2HB LYS 13 2HB LYS 13 -15.155 -7.249 3.541 72 2HG LYS 13 2HG LYS 13 -15.321 -4.582 3.090 73 2HD LYS 13 2HD LYS 13 -13.410 -5.668 1.069 74 2HE LYS 13 2HE LYS 13 -15.436 -5.448 -0.339 75 1HZ LYS 13 1HZ LYS 13 -16.853 -3.808 -0.017 76 2HZ LYS 13 2HZ LYS 13 -16.047 -3.415 1.349 77 3HZ LYS 13 3HZ LYS 13 -15.699 -2.654 -0.053 78 H LYS 14 H LYS 14 -14.049 -3.416 4.256 79 HA LYS 14 HA LYS 14 -11.649 -2.809 2.873 80 2HB LYS 14 2HB LYS 14 -12.392 -0.516 3.029 81 2HG LYS 14 2HG LYS 14 -14.710 -2.476 2.681 82 2HD LYS 14 2HD LYS 14 -15.624 -0.618 1.196 83 2HE LYS 14 2HE LYS 14 -15.914 0.930 3.491 84 1HZ LYS 14 1HZ LYS 14 -17.578 -1.228 3.741 85 2HZ LYS 14 2HZ LYS 14 -17.909 0.185 2.994 86 3HZ LYS 14 3HZ LYS 14 -17.323 -1.075 2.136 87 H CYS 15 H CYS 15 -12.815 -2.092 6.242 88 HA CYS 15 HA CYS 15 -11.701 -1.492 8.049 89 2HB CYS 15 2HB CYS 15 -9.409 -3.280 7.464 90 H TRP 16 H TRP 16 -11.110 -0.038 5.469 91 HA TRP 16 HA TRP 16 -9.790 1.590 4.760 92 2HB TRP 16 2HB TRP 16 -8.026 2.442 6.487 93 HD1 TRP 16 HD TRP 16 -9.095 4.823 6.150 94 HE1 TRP 16 1HE TRP 16 -11.314 6.084 6.817 95 HE3 TRP 16 3HE TRP 16 -11.490 0.728 7.982 96 HZ2 TRP 16 2HZ TRP 16 -13.767 5.246 8.012 97 HZ3 TRP 16 3HZ TRP 16 -13.795 1.037 8.881 98 HH2 TRP 16 HH TRP 16 -14.933 3.200 8.915 99 H VAL 17 H VAL 17 -8.936 0.161 3.118 100 HA VAL 17 HA VAL 17 -7.062 -1.740 3.323 101 HB VAL 17 HB VAL 17 -6.289 -0.939 1.046 102 1HG1 VAL 17 1HG1 VAL 17 -9.300 -1.140 1.293 103 2HG1 VAL 17 2HG1 VAL 17 -8.254 -1.714 -0.028 104 3HG1 VAL 17 3HG1 VAL 17 -8.218 -2.528 1.554 105 1HG2 VAL 17 1HG2 VAL 17 -8.053 1.340 1.844 106 2HG2 VAL 17 2HG2 VAL 17 -6.563 1.329 0.870 107 3HG2 VAL 17 3HG2 VAL 17 -8.101 0.798 0.149 108 H ASN 18 H ASN 18 -6.300 1.788 2.858 109 HA ASN 18 HA ASN 18 -3.922 1.309 4.439 110 2HB ASN 18 2HB ASN 18 -3.244 3.215 2.384 111 1HD2 ASN 18 1HD2 ASN 18 -1.143 3.041 2.133 112 2HD2 ASN 18 2HD2 ASN 18 -0.161 1.663 2.504 113 H ARG 19 H ARG 19 -3.784 2.943 5.997 114 HA ARG 19 HA ARG 19 -5.391 5.308 5.477 115 2HB ARG 19 2HB ARG 19 -5.148 5.575 8.064 116 2HG ARG 19 2HG ARG 19 -6.566 3.010 7.744 117 2HD ARG 19 2HD ARG 19 -7.122 4.681 9.493 118 HE ARG 19 HE ARG 19 -6.747 6.636 7.623 119 1HH1 ARG 19 2HH2 ARG 19 -9.603 5.664 9.435 120 2HH1 ARG 19 1HH2 ARG 19 -10.301 7.250 9.432 121 1HH2 ARG 19 2HH1 ARG 19 -7.667 8.728 7.619 122 2HH2 ARG 19 1HH1 ARG 19 -9.193 9.004 8.392 123 H GLY 20 H GLY 20 -2.303 4.182 7.037 124 1HA GLY 20 1HA GLY 20 -0.764 6.252 5.853 125 2HA GLY 20 2HA GLY 20 -1.151 6.656 7.514 126 H GLU 21 H GLU 21 0.657 6.249 8.727 127 HA GLU 21 HA GLU 21 2.419 4.163 8.011 128 2HB GLU 21 2HB GLU 21 3.395 6.097 9.015 129 2HG GLU 21 2HG GLU 21 2.385 6.066 11.703 130 HE2 GLU 21 HE2 GLU 21 0.696 8.606 11.097 131 H ALA 22 H ALA 22 -0.550 4.280 9.718 132 HA ALA 22 HA ALA 22 -0.146 2.494 11.796 133 1HB ALA 22 1HB ALA 22 -2.657 2.018 11.347 134 2HB ALA 22 2HB ALA 22 -2.180 3.688 11.739 135 3HB ALA 22 3HB ALA 22 -2.509 3.230 10.051 136 H THR 23 H THR 23 -1.146 1.882 8.358 137 HA THR 23 HA THR 23 -1.067 -0.951 8.725 138 HB THR 23 HB THR 23 -2.589 0.182 7.114 139 HG1 THR 23 1HG THR 23 -1.523 -1.991 6.734 140 1HG2 THR 23 1HG2 THR 23 -1.106 2.065 6.394 141 2HG2 THR 23 2HG2 THR 23 0.017 0.891 5.664 142 3HG2 THR 23 3HG2 THR 23 -1.621 1.091 4.995 143 H GLN 24 H GLN 24 1.191 1.552 7.518 144 HA GLN 24 HA GLN 24 2.985 0.004 6.248 145 2HB GLN 24 2HB GLN 24 4.719 1.695 7.177 146 2HG GLN 24 2HG GLN 24 2.464 3.344 6.183 147 1HE2 GLN 24 1HE2 GLN 24 3.445 3.239 3.505 148 2HE2 GLN 24 2HE2 GLN 24 5.016 3.969 3.463 149 H SER 25 H SER 25 3.011 0.773 9.806 150 HA SER 25 HA SER 25 4.758 -1.533 10.123 151 2HB SER 25 2HB SER 25 5.818 0.379 11.055 152 HG SER 25 HG SER 25 3.321 0.973 12.404 153 H ILE 26 H ILE 26 4.027 -3.331 11.248 154 HA ILE 26 HA ILE 26 1.271 -3.458 11.887 155 HB ILE 26 HB ILE 26 1.901 -5.737 12.717 156 2HG1 ILE 26 2HG1 ILE 26 4.537 -4.594 12.643 157 1HG2 ILE 26 1HG2 ILE 26 1.716 -4.708 10.113 158 2HG2 ILE 26 2HG2 ILE 26 3.086 -5.843 10.086 159 3HG2 ILE 26 3HG2 ILE 26 1.486 -6.392 10.638 160 1HD1 ILE 26 1HD1 ILE 26 4.102 -7.498 13.204 161 2HD1 ILE 26 2HD1 ILE 26 4.938 -6.264 14.177 162 3HD1 ILE 26 3HD1 ILE 26 3.160 -6.358 14.195 163 H ILE 27 H ILE 27 4.306 -2.995 13.734 164 HA ILE 27 HA ILE 27 3.265 -3.412 16.271 165 HB ILE 27 HB ILE 27 5.681 -3.104 15.429 166 2HG1 ILE 27 2HG1 ILE 27 4.513 -3.130 17.922 167 1HG2 ILE 27 1HG2 ILE 27 4.958 -0.647 14.706 168 2HG2 ILE 27 2HG2 ILE 27 5.462 -0.285 16.375 169 3HG2 ILE 27 3HG2 ILE 27 6.611 -1.036 15.240 170 1HD1 ILE 27 1HD1 ILE 27 7.486 -2.806 17.813 171 2HD1 ILE 27 2HD1 ILE 27 6.509 -4.102 18.545 172 3HD1 ILE 27 3HD1 ILE 27 6.790 -4.085 16.787 173 H GLY 28 H GLY 28 3.103 -0.611 14.058 174 1HA GLY 28 1HA GLY 28 0.924 0.601 14.506 175 2HA GLY 28 2HA GLY 28 1.573 0.858 16.114 176 H GLY 29 H GLY 29 1.061 2.458 13.327 177 1HA GLY 29 1HA GLY 29 3.610 3.633 12.788 178 2HA GLY 29 2HA GLY 29 2.043 4.157 12.204 179 H MET 30 H MET 30 0.596 4.727 14.506 180 HA MET 30 HA MET 30 1.547 7.225 15.151 181 2HB MET 30 2HB MET 30 -0.166 6.704 17.215 182 2HG MET 30 2HG MET 30 -1.695 6.621 14.707 183 1HE MET 30 1HE MET 30 -1.556 9.816 14.493 184 2HE MET 30 2HE MET 30 -2.212 10.685 15.902 185 3HE MET 30 3HE MET 30 -0.506 10.178 15.884 186 H ILE 31 H ILE 31 1.587 4.160 17.100 187 HA ILE 31 HA ILE 31 2.775 5.205 19.360 188 HB ILE 31 HB ILE 31 1.747 3.042 19.310 189 2HG1 ILE 31 2HG1 ILE 31 3.431 3.414 21.024 190 1HG2 ILE 31 1HG2 ILE 31 2.738 2.631 16.888 191 2HG2 ILE 31 2HG2 ILE 31 3.997 1.775 17.811 192 3HG2 ILE 31 3HG2 ILE 31 2.292 1.284 17.962 193 1HD1 ILE 31 1HD1 ILE 31 4.184 1.012 21.348 194 2HD1 ILE 31 2HD1 ILE 31 2.440 1.194 21.047 195 3HD1 ILE 31 3HD1 ILE 31 3.515 0.648 19.739 196 H SER 32 H SER 32 4.349 3.638 16.486 197 HA SER 32 HA SER 32 6.898 3.759 17.228 198 2HB SER 32 2HB SER 32 6.132 4.732 14.461 199 HG SER 32 HG SER 32 7.941 3.642 13.852 200 H GLY 33 H GLY 33 4.814 6.494 16.227 201 1HA GLY 33 1HA GLY 33 6.909 8.412 15.996 202 2HA GLY 33 2HA GLY 33 5.187 8.718 16.106 203 H TRP 34 H TRP 34 4.644 7.376 18.617 204 HA TRP 34 HA TRP 34 5.209 9.433 20.396 205 2HB TRP 34 2HB TRP 34 4.516 6.582 21.109 206 HD1 TRP 34 HD TRP 34 3.948 10.305 22.188 207 HE1 TRP 34 1HE TRP 34 3.588 10.459 24.799 208 HE3 TRP 34 3HE TRP 34 4.166 5.298 23.044 209 HZ2 TRP 34 2HZ TRP 34 3.437 8.514 26.881 210 HZ3 TRP 34 3HZ TRP 34 3.903 4.508 25.394 211 HH2 TRP 34 HH TRP 34 3.550 6.026 27.278 212 H ALA 35 H ALA 35 6.594 6.070 20.169 213 HA ALA 35 HA ALA 35 8.528 6.445 22.133 214 1HB ALA 35 1HB ALA 35 9.440 4.389 21.318 215 2HB ALA 35 2HB ALA 35 7.682 4.286 21.059 216 3HB ALA 35 3HB ALA 35 8.764 4.650 19.692 217 H SER 36 H SER 36 8.480 7.180 18.620 218 HA SER 36 HA SER 36 11.172 7.631 18.314 219 2HB SER 36 2HB SER 36 9.831 9.504 16.659 220 HG SER 36 HG SER 36 10.948 6.916 16.417 221 H GLY 37 H GLY 37 8.544 9.684 19.622 222 1HA GLY 37 1HA GLY 37 10.067 12.100 19.678 223 2HA GLY 37 2HA GLY 37 8.543 11.775 20.480 224 H LEU 38 H LEU 38 9.159 9.568 22.118 225 HA LEU 38 HA LEU 38 10.378 10.839 24.281 226 2HB LEU 38 2HB LEU 38 10.155 8.724 25.403 227 HG LEU 38 HG LEU 38 7.880 9.508 23.621 228 1HD1 LEU 38 1HD1 LEU 38 7.102 7.419 23.521 229 2HD1 LEU 38 2HD1 LEU 38 8.266 6.829 24.732 230 3HD1 LEU 38 3HD1 LEU 38 6.749 7.600 25.256 231 1HD2 LEU 38 1HD2 LEU 38 7.901 10.867 25.469 232 2HD2 LEU 38 2HD2 LEU 38 6.834 9.559 26.033 233 3HD2 LEU 38 3HD2 LEU 38 8.540 9.596 26.540 234 H ALA 39 H ALA 39 11.589 8.271 22.024 235 HA ALA 39 HA ALA 39 14.131 8.135 23.221 236 1HB ALA 39 1HB ALA 39 14.065 7.474 20.376 237 2HB ALA 39 2HB ALA 39 14.324 6.414 21.782 238 3HB ALA 39 3HB ALA 39 12.670 6.786 21.242 239 H GLY 40 H GLY 40 12.603 10.350 20.932 240 1HA GLY 40 1HA GLY 40 15.067 11.403 19.887 241 2HA GLY 40 2HA GLY 40 13.446 12.026 19.653 242 H MET 41 H MET 41 15.778 11.546 22.411 243 HA MET 41 HA MET 41 14.725 13.582 23.946 244 2HB MET 41 2HB MET 41 17.315 13.490 24.796 245 2HG MET 41 2HG MET 41 15.838 10.896 25.155 246 1HE MET 41 1HE MET 41 15.136 13.178 27.869 247 2HE MET 41 2HE MET 41 16.632 13.441 28.798 248 3HE MET 41 3HE MET 41 16.397 14.265 27.237 Start of MODEL 9 1 1H ALA 1 1H ALA 1 -18.123 0.172 23.217 2 HA ALA 1 HA ALA 1 -17.438 3.010 23.364 3 1HB ALA 1 1HB ALA 1 -15.234 2.342 23.233 4 2HB ALA 1 2HB ALA 1 -15.933 0.881 23.971 5 3HB ALA 1 3HB ALA 1 -15.608 0.927 22.221 6 H ARG 2 H ARG 2 -16.156 3.728 21.238 7 HA ARG 2 HA ARG 2 -18.104 3.610 19.214 8 2HB ARG 2 2HB ARG 2 -15.317 4.641 18.668 9 2HG ARG 2 2HG ARG 2 -18.092 5.149 17.794 10 2HD ARG 2 2HD ARG 2 -16.298 7.446 18.669 11 HE ARG 2 HE ARG 2 -17.960 7.338 16.264 12 1HH1 ARG 2 2HH2 ARG 2 -16.748 9.431 18.820 13 2HH1 ARG 2 1HH2 ARG 2 -16.928 10.883 17.893 14 1HH2 ARG 2 2HH1 ARG 2 -18.196 9.253 15.039 15 2HH2 ARG 2 1HH1 ARG 2 -17.757 10.781 15.727 16 H SER 3 H SER 3 -17.233 3.249 16.789 17 HA SER 3 HA SER 3 -15.147 1.710 16.154 18 2HB SER 3 2HB SER 3 -17.362 0.047 17.338 19 HG SER 3 HG SER 3 -17.367 -1.073 15.472 20 H TYR 4 H TYR 4 -18.675 0.931 15.686 21 HA TYR 4 HA TYR 4 -19.826 0.708 13.771 22 2HB TYR 4 2HB TYR 4 -19.928 3.013 12.624 23 HD1 TYR 4 1HD TYR 4 -22.096 2.619 13.812 24 HD2 TYR 4 2HD TYR 4 -18.658 4.171 15.831 25 HE1 TYR 4 1HE TYR 4 -23.571 3.426 15.719 26 HE2 TYR 4 2HE TYR 4 -20.145 4.973 17.730 27 HH TYR 4 HH TYR 4 -22.812 3.932 18.491 28 H GLY 5 H GLY 5 -17.223 -0.493 13.488 29 1HA GLY 5 1HA GLY 5 -16.741 -1.491 11.289 30 2HA GLY 5 2HA GLY 5 -16.651 0.139 10.652 31 H ASN 6 H ASN 6 -14.440 -0.224 9.959 32 HA ASN 6 HA ASN 6 -12.544 -0.755 12.055 33 2HB ASN 6 2HB ASN 6 -11.006 -0.268 9.837 34 1HD2 ASN 6 1HD2 ASN 6 -10.589 -1.781 11.832 35 2HD2 ASN 6 2HD2 ASN 6 -10.690 -3.478 11.505 36 H GLY 7 H GLY 7 -13.707 1.838 9.862 37 1HA GLY 7 1HA GLY 7 -11.650 3.704 10.759 38 2HA GLY 7 2HA GLY 7 -12.858 3.960 9.515 39 H VAL 8 H VAL 8 -14.089 5.695 10.128 40 HA VAL 8 HA VAL 8 -15.550 6.888 11.285 41 HB VAL 8 HB VAL 8 -15.683 4.601 13.254 42 1HG1 VAL 8 1HG1 VAL 8 -17.071 7.140 12.986 43 2HG1 VAL 8 2HG1 VAL 8 -18.206 5.770 12.905 44 3HG1 VAL 8 3HG1 VAL 8 -17.123 5.947 14.307 45 1HG2 VAL 8 1HG2 VAL 8 -17.490 4.945 10.854 46 2HG2 VAL 8 2HG2 VAL 8 -16.005 3.964 10.792 47 3HG2 VAL 8 3HG2 VAL 8 -17.310 3.532 11.922 48 H TYR 9 H TYR 9 -13.598 5.062 13.758 49 HA TYR 9 HA TYR 9 -13.116 7.590 15.117 50 2HB TYR 9 2HB TYR 9 -13.796 5.604 16.430 51 HD1 TYR 9 1HD TYR 9 -14.478 3.620 15.207 52 HD2 TYR 9 2HD TYR 9 -10.337 4.436 15.904 53 HE1 TYR 9 1HE TYR 9 -13.886 1.242 14.526 54 HE2 TYR 9 2HE TYR 9 -9.759 2.057 15.221 55 HH TYR 9 HH TYR 9 -10.810 0.304 13.750 56 H CYS 10 H CYS 10 -11.335 4.877 13.522 57 HA CYS 10 HA CYS 10 -9.225 4.669 12.920 58 2HB CYS 10 2HB CYS 10 -8.247 6.568 11.669 59 H ASN 11 H ASN 11 -6.910 6.218 13.058 60 HA ASN 11 HA ASN 11 -6.710 6.586 15.933 61 2HB ASN 11 2HB ASN 11 -4.208 6.576 14.310 62 1HD2 ASN 11 1HD2 ASN 11 -3.123 7.045 16.128 63 2HD2 ASN 11 2HD2 ASN 11 -3.044 6.040 17.536 64 H ASN 12 H ASN 12 -4.974 7.804 12.960 65 HA ASN 12 HA ASN 12 -5.715 10.482 13.587 66 2HB ASN 12 2HB ASN 12 -3.847 10.778 14.932 67 1HD2 ASN 12 1HD2 ASN 12 -1.426 9.716 12.866 68 2HD2 ASN 12 2HD2 ASN 12 -0.969 8.244 13.657 69 H LYS 13 H LYS 13 -2.891 8.842 11.957 70 HA LYS 13 HA LYS 13 -3.678 10.152 9.468 71 2HB LYS 13 2HB LYS 13 -1.091 9.032 10.529 72 2HG LYS 13 2HG LYS 13 -0.410 9.952 8.060 73 2HD LYS 13 2HD LYS 13 -0.583 7.458 7.322 74 2HE LYS 13 2HE LYS 13 0.809 8.194 9.943 75 1HZ LYS 13 1HZ LYS 13 1.634 6.144 8.033 76 2HZ LYS 13 2HZ LYS 13 2.105 6.342 9.584 77 3HZ LYS 13 3HZ LYS 13 0.609 5.778 9.250 78 H LYS 14 H LYS 14 -3.423 7.026 11.100 79 HA LYS 14 HA LYS 14 -3.690 5.554 8.641 80 2HB LYS 14 2HB LYS 14 -3.407 3.640 9.939 81 2HG LYS 14 2HG LYS 14 -1.687 5.819 10.372 82 2HD LYS 14 2HD LYS 14 -2.610 6.154 12.642 83 2HE LYS 14 2HE LYS 14 -2.878 3.326 12.619 84 1HZ LYS 14 1HZ LYS 14 -1.722 3.092 14.889 85 2HZ LYS 14 2HZ LYS 14 -0.857 2.863 13.523 86 3HZ LYS 14 3HZ LYS 14 -0.735 4.272 14.341 87 H CYS 15 H CYS 15 -5.581 3.600 10.036 88 HA CYS 15 HA CYS 15 -7.954 4.701 10.720 89 2HB CYS 15 2HB CYS 15 -8.920 4.180 8.169 90 H TRP 16 H TRP 16 -6.386 2.438 11.305 91 HA TRP 16 HA TRP 16 -6.402 0.224 11.465 92 2HB TRP 16 2HB TRP 16 -8.919 -0.692 11.222 93 HD1 TRP 16 HD TRP 16 -8.884 -1.942 13.506 94 HE1 TRP 16 1HE TRP 16 -8.352 -1.436 16.040 95 HE3 TRP 16 3HE TRP 16 -7.544 2.912 12.800 96 HZ2 TRP 16 2HZ TRP 16 -7.451 0.885 17.435 97 HZ3 TRP 16 3HZ TRP 16 -6.851 4.228 14.801 98 HH2 TRP 16 HH TRP 16 -6.791 3.289 17.056 99 H VAL 17 H VAL 17 -7.512 -1.912 10.235 100 HA VAL 17 HA VAL 17 -7.694 -3.078 8.359 101 HB VAL 17 HB VAL 17 -7.708 -0.605 6.665 102 1HG1 VAL 17 1HG1 VAL 17 -7.855 -2.666 5.460 103 2HG1 VAL 17 2HG1 VAL 17 -9.103 -3.296 6.563 104 3HG1 VAL 17 3HG1 VAL 17 -9.483 -1.944 5.469 105 1HG2 VAL 17 1HG2 VAL 17 -10.336 -0.831 7.207 106 2HG2 VAL 17 2HG2 VAL 17 -9.671 -1.320 8.784 107 3HG2 VAL 17 3HG2 VAL 17 -9.249 0.265 8.094 108 H ASN 18 H ASN 18 -5.158 -1.683 9.538 109 HA ASN 18 HA ASN 18 -3.389 -2.943 7.796 110 2HB ASN 18 2HB ASN 18 -2.687 -0.031 7.836 111 1HD2 ASN 18 1HD2 ASN 18 -0.722 -1.363 7.578 112 2HD2 ASN 18 2HD2 ASN 18 -0.266 -1.885 5.992 113 H ARG 19 H ARG 19 -3.928 -3.103 10.553 114 HA ARG 19 HA ARG 19 -2.091 -1.394 11.919 115 2HB ARG 19 2HB ARG 19 -2.829 -2.994 13.897 116 2HG ARG 19 2HG ARG 19 -4.608 -1.054 12.381 117 2HD ARG 19 2HD ARG 19 -6.158 -1.085 14.322 118 HE ARG 19 HE ARG 19 -6.090 -3.076 12.373 119 1HH1 ARG 19 2HH2 ARG 19 -7.136 -2.915 15.729 120 2HH1 ARG 19 1HH2 ARG 19 -8.352 -4.134 15.542 121 1HH2 ARG 19 2HH1 ARG 19 -7.695 -4.684 12.126 122 2HH2 ARG 19 1HH1 ARG 19 -8.673 -5.147 13.478 123 H GLY 20 H GLY 20 -2.548 -4.983 11.469 124 1HA GLY 20 1HA GLY 20 -0.183 -5.825 12.651 125 2HA GLY 20 2HA GLY 20 -1.077 -6.679 11.409 126 H GLU 21 H GLU 21 -0.866 -5.291 9.110 127 HA GLU 21 HA GLU 21 1.619 -5.854 8.205 128 2HB GLU 21 2HB GLU 21 1.036 -4.500 6.225 129 2HG GLU 21 2HG GLU 21 -1.045 -5.575 5.649 130 HE2 GLU 21 HE2 GLU 21 1.270 -7.664 5.543 131 H ALA 22 H ALA 22 0.465 -2.950 9.892 132 HA ALA 22 HA ALA 22 2.495 -1.191 9.162 133 1HB ALA 22 1HB ALA 22 1.294 0.161 10.501 134 2HB ALA 22 2HB ALA 22 0.235 -1.230 10.838 135 3HB ALA 22 3HB ALA 22 1.603 -0.871 11.918 136 H THR 23 H THR 23 2.221 -3.460 11.984 137 HA THR 23 HA THR 23 4.861 -2.858 12.883 138 HB THR 23 HB THR 23 2.810 -3.663 14.244 139 HG1 THR 23 1HG THR 23 4.623 -3.955 15.485 140 1HG2 THR 23 1HG2 THR 23 3.186 -5.965 12.491 141 2HG2 THR 23 2HG2 THR 23 3.511 -6.435 14.176 142 3HG2 THR 23 3HG2 THR 23 1.943 -5.716 13.740 143 H GLN 24 H GLN 24 3.489 -4.994 10.466 144 HA GLN 24 HA GLN 24 5.477 -6.925 10.507 145 2HB GLN 24 2HB GLN 24 4.720 -7.270 8.061 146 2HG GLN 24 2HG GLN 24 2.270 -7.770 8.863 147 1HE2 GLN 24 1HE2 GLN 24 2.031 -9.886 9.132 148 2HE2 GLN 24 2HE2 GLN 24 3.272 -11.005 9.585 149 H SER 25 H SER 25 5.099 -3.945 8.460 150 HA SER 25 HA SER 25 7.341 -4.219 6.973 151 2HB SER 25 2HB SER 25 7.314 -1.543 7.196 152 HG SER 25 HG SER 25 6.514 -2.740 5.343 153 H ILE 26 H ILE 26 9.564 -3.820 7.243 154 HA ILE 26 HA ILE 26 10.627 -4.040 9.788 155 HB ILE 26 HB ILE 26 11.814 -3.103 7.179 156 2HG1 ILE 26 2HG1 ILE 26 10.857 -5.521 7.640 157 1HG2 ILE 26 1HG2 ILE 26 13.410 -3.993 9.581 158 2HG2 ILE 26 2HG2 ILE 26 13.973 -3.202 8.089 159 3HG2 ILE 26 3HG2 ILE 26 13.022 -2.282 9.279 160 1HD1 ILE 26 1HD1 ILE 26 13.690 -5.393 6.577 161 2HD1 ILE 26 2HD1 ILE 26 12.303 -6.324 5.962 162 3HD1 ILE 26 3HD1 ILE 26 12.375 -4.563 5.711 163 H ILE 27 H ILE 27 10.004 -1.145 7.730 164 HA ILE 27 HA ILE 27 11.247 0.685 9.436 165 HB ILE 27 HB ILE 27 9.141 0.881 7.305 166 2HG1 ILE 27 2HG1 ILE 27 11.774 0.491 7.048 167 1HG2 ILE 27 1HG2 ILE 27 10.341 3.240 8.775 168 2HG2 ILE 27 2HG2 ILE 27 9.151 3.275 7.453 169 3HG2 ILE 27 3HG2 ILE 27 8.697 2.614 9.042 170 1HD1 ILE 27 1HD1 ILE 27 9.657 1.341 5.401 171 2HD1 ILE 27 2HD1 ILE 27 10.941 2.541 5.126 172 3HD1 ILE 27 3HD1 ILE 27 11.267 0.812 4.860 173 H GLY 28 H GLY 28 8.017 -0.838 9.426 174 1HA GLY 28 1HA GLY 28 6.506 -0.992 11.099 175 2HA GLY 28 2HA GLY 28 7.618 -0.164 12.170 176 H GLY 29 H GLY 29 4.721 0.097 10.330 177 1HA GLY 29 1HA GLY 29 4.720 2.923 9.904 178 2HA GLY 29 2HA GLY 29 3.364 1.820 9.780 179 H MET 30 H MET 30 3.186 0.688 12.327 180 HA MET 30 HA MET 30 1.864 2.691 13.698 181 2HB MET 30 2HB MET 30 2.263 0.801 15.632 182 2HG MET 30 2HG MET 30 0.548 -0.621 14.018 183 1HE MET 30 1HE MET 30 -0.695 -1.132 16.473 184 2HE MET 30 2HE MET 30 0.972 -0.549 16.694 185 3HE MET 30 3HE MET 30 -0.341 0.109 17.699 186 H ILE 31 H ILE 31 5.084 1.135 14.310 187 HA ILE 31 HA ILE 31 5.689 2.478 16.641 188 HB ILE 31 HB ILE 31 6.917 0.566 15.844 189 2HG1 ILE 31 2HG1 ILE 31 8.039 2.041 17.417 190 1HG2 ILE 31 1HG2 ILE 31 6.778 1.157 13.413 191 2HG2 ILE 31 2HG2 ILE 31 8.102 2.317 13.679 192 3HG2 ILE 31 3HG2 ILE 31 8.373 0.580 13.953 193 1HD1 ILE 31 1HD1 ILE 31 9.344 0.123 16.583 194 2HD1 ILE 31 2HD1 ILE 31 9.875 1.075 15.176 195 3HD1 ILE 31 3HD1 ILE 31 10.412 1.528 16.812 196 H SER 32 H SER 32 6.532 3.379 13.223 197 HA SER 32 HA SER 32 7.880 5.627 13.657 198 2HB SER 32 2HB SER 32 5.696 5.725 11.578 199 HG SER 32 HG SER 32 8.495 6.375 11.747 200 H GLY 33 H GLY 33 4.344 5.140 13.989 201 1HA GLY 33 1HA GLY 33 3.665 7.887 14.271 202 2HA GLY 33 2HA GLY 33 2.689 6.496 14.700 203 H TRP 34 H TRP 34 4.508 5.213 16.555 204 HA TRP 34 HA TRP 34 3.806 6.506 18.902 205 2HB TRP 34 2HB TRP 34 6.105 4.583 18.530 206 HD1 TRP 34 HD TRP 34 3.271 5.585 21.048 207 HE1 TRP 34 1HE TRP 34 4.067 5.182 23.531 208 HE3 TRP 34 3HE TRP 34 7.820 3.665 19.834 209 HZ2 TRP 34 2HZ TRP 34 6.456 4.129 24.683 210 HZ3 TRP 34 3HZ TRP 34 9.324 2.974 21.698 211 HH2 TRP 34 HH TRP 34 8.705 3.180 24.054 212 H ALA 35 H ALA 35 6.958 6.399 17.096 213 HA ALA 35 HA ALA 35 8.291 8.133 18.854 214 1HB ALA 35 1HB ALA 35 8.853 7.691 15.900 215 2HB ALA 35 2HB ALA 35 10.010 8.135 17.178 216 3HB ALA 35 3HB ALA 35 9.280 6.512 17.164 217 H SER 36 H SER 36 6.196 8.621 15.994 218 HA SER 36 HA SER 36 6.853 11.262 15.538 219 2HB SER 36 2HB SER 36 4.020 10.682 15.054 220 HG SER 36 HG SER 36 6.267 10.868 13.235 221 H GLY 37 H GLY 37 4.633 9.691 17.865 222 1HA GLY 37 1HA GLY 37 3.308 12.093 18.668 223 2HA GLY 37 2HA GLY 37 3.274 10.533 19.465 224 H LEU 38 H LEU 38 5.972 10.038 20.043 225 HA LEU 38 HA LEU 38 6.328 11.510 22.362 226 2HB LEU 38 2HB LEU 38 8.472 10.415 22.511 227 HG LEU 38 HG LEU 38 6.190 8.761 21.507 228 1HD1 LEU 38 1HD1 LEU 38 7.961 6.817 22.216 229 2HD1 LEU 38 2HD1 LEU 38 7.593 7.299 20.542 230 3HD1 LEU 38 3HD1 LEU 38 9.025 7.964 21.366 231 1HD2 LEU 38 1HD2 LEU 38 5.839 8.970 23.718 232 2HD2 LEU 38 2HD2 LEU 38 7.036 7.657 23.838 233 3HD2 LEU 38 3HD2 LEU 38 7.544 9.348 24.066 234 H ALA 39 H ALA 39 7.953 11.813 19.135 235 HA ALA 39 HA ALA 39 9.522 14.017 19.915 236 1HB ALA 39 1HB ALA 39 10.456 13.479 17.946 237 2HB ALA 39 2HB ALA 39 9.131 12.332 17.635 238 3HB ALA 39 3HB ALA 39 8.991 14.022 17.093 239 H GLY 40 H GLY 40 6.163 13.614 18.919 240 1HA GLY 40 1HA GLY 40 5.749 16.318 18.082 241 2HA GLY 40 2HA GLY 40 4.533 15.103 18.422 242 H MET 41 H MET 41 7.033 17.061 20.203 243 HA MET 41 HA MET 41 5.799 16.865 22.656 244 2HB MET 41 2HB MET 41 7.083 19.360 22.660 245 2HG MET 41 2HG MET 41 7.741 16.584 23.368 246 1HE MET 41 1HE MET 41 10.888 17.355 24.786 247 2HE MET 41 2HE MET 41 9.881 15.924 24.463 248 3HE MET 41 3HE MET 41 11.475 16.082 23.689 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -20.819 9.188 10.015 2 HA ALA 1 HA ALA 1 -19.482 7.915 12.289 3 1HB ALA 1 1HB ALA 1 -22.150 8.261 12.346 4 2HB ALA 1 2HB ALA 1 -22.091 6.786 11.352 5 3HB ALA 1 3HB ALA 1 -21.366 6.794 12.979 6 H ARG 2 H ARG 2 -18.523 5.909 11.798 7 HA ARG 2 HA ARG 2 -18.948 4.959 9.102 8 2HB ARG 2 2HB ARG 2 -16.235 4.561 9.332 9 2HG ARG 2 2HG ARG 2 -17.468 7.169 8.333 10 2HD ARG 2 2HD ARG 2 -15.422 5.893 6.676 11 HE ARG 2 HE ARG 2 -16.235 8.476 7.183 12 1HH1 ARG 2 2HH2 ARG 2 -13.125 6.850 7.436 13 2HH1 ARG 2 1HH2 ARG 2 -12.206 8.282 7.110 14 1HH2 ARG 2 2HH1 ARG 2 -15.023 10.365 6.752 15 2HH2 ARG 2 1HH1 ARG 2 -13.293 10.295 6.719 16 H SER 3 H SER 3 -17.130 2.854 9.023 17 HA SER 3 HA SER 3 -16.504 1.439 11.162 18 2HB SER 3 2HB SER 3 -18.451 1.054 12.281 19 HG SER 3 HG SER 3 -20.356 1.770 11.558 20 H TYR 4 H TYR 4 -14.994 0.801 9.511 21 HA TYR 4 HA TYR 4 -16.036 -1.322 7.790 22 2HB TYR 4 2HB TYR 4 -14.278 -0.230 6.105 23 HD1 TYR 4 1HD TYR 4 -16.240 2.681 7.004 24 HD2 TYR 4 2HD TYR 4 -16.338 -1.037 4.889 25 HE1 TYR 4 1HE TYR 4 -18.295 3.456 5.722 26 HE2 TYR 4 2HE TYR 4 -18.392 -0.251 3.615 27 HH TYR 4 HH TYR 4 -19.445 1.778 2.979 28 H GLY 5 H GLY 5 -15.042 -2.527 9.696 29 1HA GLY 5 1HA GLY 5 -13.294 -4.122 9.800 30 2HA GLY 5 2HA GLY 5 -12.181 -2.948 9.125 31 H ASN 6 H ASN 6 -10.970 -1.656 10.491 32 HA ASN 6 HA ASN 6 -11.814 -1.663 13.279 33 2HB ASN 6 2HB ASN 6 -9.347 -1.708 13.878 34 1HD2 ASN 6 1HD2 ASN 6 -7.925 -3.810 13.394 35 2HD2 ASN 6 2HD2 ASN 6 -8.819 -5.293 13.425 36 H GLY 7 H GLY 7 -9.807 -0.164 10.654 37 1HA GLY 7 1HA GLY 7 -9.538 2.335 12.096 38 2HA GLY 7 2HA GLY 7 -8.905 1.933 10.511 39 H VAL 8 H VAL 8 -9.699 3.469 9.119 40 HA VAL 8 HA VAL 8 -11.158 4.577 7.881 41 HB VAL 8 HB VAL 8 -13.268 2.781 9.094 42 1HG1 VAL 8 1HG1 VAL 8 -14.617 4.189 7.957 43 2HG1 VAL 8 2HG1 VAL 8 -13.282 4.843 6.979 44 3HG1 VAL 8 3HG1 VAL 8 -14.045 3.300 6.525 45 1HG2 VAL 8 1HG2 VAL 8 -12.625 1.893 6.504 46 2HG2 VAL 8 2HG2 VAL 8 -11.064 2.175 7.313 47 3HG2 VAL 8 3HG2 VAL 8 -12.263 1.084 8.049 48 H TYR 9 H TYR 9 -13.102 3.840 10.867 49 HA TYR 9 HA TYR 9 -13.776 6.639 11.070 50 2HB TYR 9 2HB TYR 9 -15.442 4.861 11.527 51 HD1 TYR 9 1HD TYR 9 -13.679 4.527 14.759 52 HD2 TYR 9 2HD TYR 9 -14.841 2.551 11.147 53 HE1 TYR 9 1HE TYR 9 -13.067 2.282 15.782 54 HE2 TYR 9 2HE TYR 9 -14.225 0.311 12.182 55 HH TYR 9 HH TYR 9 -12.861 0.156 15.460 56 H CYS 10 H CYS 10 -11.935 4.157 12.958 57 HA CYS 10 HA CYS 10 -10.417 4.346 14.529 58 2HB CYS 10 2HB CYS 10 -9.526 6.005 12.694 59 H ASN 11 H ASN 11 -10.076 5.230 16.750 60 HA ASN 11 HA ASN 11 -12.522 6.056 17.846 61 2HB ASN 11 2HB ASN 11 -10.164 6.470 19.580 62 1HD2 ASN 11 1HD2 ASN 11 -11.302 6.657 21.357 63 2HD2 ASN 11 2HD2 ASN 11 -12.534 5.582 21.927 64 H ASN 12 H ASN 12 -11.521 7.885 19.924 65 HA ASN 12 HA ASN 12 -11.367 10.259 18.290 66 2HB ASN 12 2HB ASN 12 -11.792 11.418 20.537 67 1HD2 ASN 12 1HD2 ASN 12 -13.446 8.305 20.530 68 2HD2 ASN 12 2HD2 ASN 12 -14.974 8.851 19.924 69 H LYS 13 H LYS 13 -10.008 9.269 21.531 70 HA LYS 13 HA LYS 13 -7.684 10.876 21.114 71 2HB LYS 13 2HB LYS 13 -8.479 10.808 23.324 72 2HG LYS 13 2HG LYS 13 -8.334 8.266 24.357 73 2HD LYS 13 2HD LYS 13 -10.567 9.957 23.263 74 2HE LYS 13 2HE LYS 13 -10.734 7.110 23.193 75 1HZ LYS 13 1HZ LYS 13 -11.927 6.529 24.967 76 2HZ LYS 13 2HZ LYS 13 -11.197 7.790 25.704 77 3HZ LYS 13 3HZ LYS 13 -12.704 7.959 25.097 78 H LYS 14 H LYS 14 -8.573 7.419 20.869 79 HA LYS 14 HA LYS 14 -5.866 6.582 20.518 80 2HB LYS 14 2HB LYS 14 -7.033 4.418 19.829 81 2HG LYS 14 2HG LYS 14 -7.225 5.829 22.479 82 2HD LYS 14 2HD LYS 14 -8.104 3.466 23.309 83 2HE LYS 14 2HE LYS 14 -9.779 5.714 22.126 84 1HZ LYS 14 1HZ LYS 14 -11.592 4.685 23.368 85 2HZ LYS 14 2HZ LYS 14 -11.123 3.768 22.100 86 3HZ LYS 14 3HZ LYS 14 -10.685 3.351 23.617 87 H CYS 15 H CYS 15 -8.724 6.485 18.269 88 HA CYS 15 HA CYS 15 -8.838 6.608 16.078 89 2HB CYS 15 2HB CYS 15 -6.542 8.566 16.224 90 H TRP 16 H TRP 16 -8.144 4.382 15.763 91 HA TRP 16 HA TRP 16 -5.310 4.079 15.075 92 2HB TRP 16 2HB TRP 16 -6.032 2.573 16.791 93 HD1 TRP 16 HD TRP 16 -7.948 0.699 13.995 94 HE1 TRP 16 1HE TRP 16 -10.360 0.002 14.805 95 HE3 TRP 16 3HE TRP 16 -7.749 3.186 18.424 96 HZ2 TRP 16 2HZ TRP 16 -11.881 0.558 17.156 97 HZ3 TRP 16 3HZ TRP 16 -9.740 3.058 19.920 98 HH2 TRP 16 HH TRP 16 -11.757 1.801 19.347 99 H VAL 17 H VAL 17 -5.057 2.353 13.185 100 HA VAL 17 HA VAL 17 -7.139 2.825 11.179 101 HB VAL 17 HB VAL 17 -4.225 3.485 11.061 102 1HG1 VAL 17 1HG1 VAL 17 -4.574 3.572 8.493 103 2HG1 VAL 17 2HG1 VAL 17 -4.222 2.002 9.253 104 3HG1 VAL 17 3HG1 VAL 17 -5.891 2.410 8.786 105 1HG2 VAL 17 1HG2 VAL 17 -6.443 5.029 11.249 106 2HG2 VAL 17 2HG2 VAL 17 -4.928 5.562 10.483 107 3HG2 VAL 17 3HG2 VAL 17 -6.265 4.949 9.480 108 H ASN 18 H ASN 18 -3.948 1.131 11.633 109 HA ASN 18 HA ASN 18 -5.301 -1.369 11.384 110 2HB ASN 18 2HB ASN 18 -3.047 -1.378 9.501 111 1HD2 ASN 18 1HD2 ASN 18 -5.161 -1.075 7.337 112 2HD2 ASN 18 2HD2 ASN 18 -6.032 -2.572 7.339 113 H ARG 19 H ARG 19 -4.364 -1.849 13.461 114 HA ARG 19 HA ARG 19 -1.568 -1.417 13.814 115 2HB ARG 19 2HB ARG 19 -2.015 -2.447 16.093 116 2HG ARG 19 2HG ARG 19 -3.296 -0.037 14.969 117 2HD ARG 19 2HD ARG 19 -4.741 0.373 16.962 118 HE ARG 19 HE ARG 19 -5.502 -1.141 14.818 119 1HH1 ARG 19 2HH2 ARG 19 -6.212 -1.440 18.251 120 2HH1 ARG 19 1HH2 ARG 19 -7.757 -2.182 17.998 121 1HH2 ARG 19 2HH1 ARG 19 -7.539 -2.119 14.483 122 2HH2 ARG 19 1HH1 ARG 19 -8.517 -2.570 15.839 123 H GLY 20 H GLY 20 -3.115 -3.587 11.976 124 1HA GLY 20 1HA GLY 20 -2.133 -6.094 12.965 125 2HA GLY 20 2HA GLY 20 -2.878 -5.769 11.412 126 H GLU 21 H GLU 21 -1.460 -4.400 9.822 127 HA GLU 21 HA GLU 21 0.779 -5.827 9.247 128 2HB GLU 21 2HB GLU 21 -0.207 -4.508 7.524 129 2HG GLU 21 2HG GLU 21 -0.598 -2.597 9.579 130 HE2 GLU 21 HE2 GLU 21 -0.569 -0.182 7.936 131 H ALA 22 H ALA 22 0.345 -3.136 11.499 132 HA ALA 22 HA ALA 22 2.932 -2.183 11.663 133 1HB ALA 22 1HB ALA 22 2.249 -1.333 13.829 134 2HB ALA 22 2HB ALA 22 0.858 -1.233 12.723 135 3HB ALA 22 3HB ALA 22 0.938 -2.533 13.937 136 H THR 23 H THR 23 1.344 -4.886 13.497 137 HA THR 23 HA THR 23 3.774 -5.580 14.822 138 HB THR 23 HB THR 23 1.004 -6.823 14.500 139 HG1 THR 23 1HG THR 23 2.634 -5.718 16.679 140 1HG2 THR 23 1HG2 THR 23 1.909 -8.145 16.619 141 2HG2 THR 23 2HG2 THR 23 2.241 -8.787 14.992 142 3HG2 THR 23 3HG2 THR 23 3.501 -7.884 15.867 143 H GLN 24 H GLN 24 1.960 -6.882 11.986 144 HA GLN 24 HA GLN 24 3.309 -9.118 11.509 145 2HB GLN 24 2HB GLN 24 2.952 -8.632 9.044 146 2HG GLN 24 2HG GLN 24 0.481 -7.658 10.453 147 1HE2 GLN 24 1HE2 GLN 24 -0.163 -10.672 10.031 148 2HE2 GLN 24 2HE2 GLN 24 -0.589 -10.780 8.355 149 H SER 25 H SER 25 4.362 -5.841 10.318 150 HA SER 25 HA SER 25 6.930 -6.979 9.691 151 2HB SER 25 2HB SER 25 6.491 -4.041 9.407 152 HG SER 25 HG SER 25 7.930 -6.051 8.214 153 H ILE 26 H ILE 26 8.916 -6.316 10.693 154 HA ILE 26 HA ILE 26 8.650 -5.605 13.421 155 HB ILE 26 HB ILE 26 11.092 -5.717 13.429 156 2HG1 ILE 26 2HG1 ILE 26 10.726 -5.475 10.504 157 1HG2 ILE 26 1HG2 ILE 26 9.319 -7.767 13.131 158 2HG2 ILE 26 2HG2 ILE 26 10.467 -8.098 11.811 159 3HG2 ILE 26 3HG2 ILE 26 11.052 -7.958 13.486 160 1HD1 ILE 26 1HD1 ILE 26 12.314 -3.897 10.842 161 2HD1 ILE 26 2HD1 ILE 26 12.188 -4.229 12.586 162 3HD1 ILE 26 3HD1 ILE 26 13.399 -5.086 11.603 163 H ILE 27 H ILE 27 9.599 -3.886 10.410 164 HA ILE 27 HA ILE 27 10.583 -1.582 11.555 165 HB ILE 27 HB ILE 27 10.105 -0.530 9.438 166 2HG1 ILE 27 2HG1 ILE 27 7.993 -2.569 9.294 167 1HG2 ILE 27 1HG2 ILE 27 11.270 -2.090 7.954 168 2HG2 ILE 27 2HG2 ILE 27 12.006 -2.056 9.574 169 3HG2 ILE 27 3HG2 ILE 27 10.963 -3.417 9.100 170 1HD1 ILE 27 1HD1 ILE 27 8.120 -0.302 7.379 171 2HD1 ILE 27 2HD1 ILE 27 6.811 -0.787 8.483 172 3HD1 ILE 27 3HD1 ILE 27 8.179 0.177 9.092 173 H GLY 28 H GLY 28 7.234 -2.734 11.148 174 1HA GLY 28 1HA GLY 28 5.667 -0.585 11.362 175 2HA GLY 28 2HA GLY 28 5.386 -2.051 12.281 176 H GLY 29 H GLY 29 7.826 -1.858 13.944 177 1HA GLY 29 1HA GLY 29 6.782 -0.164 15.995 178 2HA GLY 29 2HA GLY 29 8.254 -1.114 16.036 179 H MET 30 H MET 30 9.736 -0.119 13.876 180 HA MET 30 HA MET 30 10.759 2.207 15.000 181 2HB MET 30 2HB MET 30 11.835 2.205 12.487 182 2HG MET 30 2HG MET 30 13.203 0.068 13.428 183 1HE MET 30 1HE MET 30 14.962 2.665 16.299 184 2HE MET 30 2HE MET 30 13.457 1.747 16.537 185 3HE MET 30 3HE MET 30 14.914 0.923 15.934 186 H ILE 31 H ILE 31 8.789 1.640 12.006 187 HA ILE 31 HA ILE 31 8.751 4.248 11.107 188 HB ILE 31 HB ILE 31 8.036 2.397 9.764 189 2HG1 ILE 31 2HG1 ILE 31 7.146 4.581 9.177 190 1HG2 ILE 31 1HG2 ILE 31 6.897 1.300 11.891 191 2HG2 ILE 31 2HG2 ILE 31 5.445 2.073 11.210 192 3HG2 ILE 31 3HG2 ILE 31 6.373 0.909 10.235 193 1HD1 ILE 31 1HD1 ILE 31 4.963 3.824 8.098 194 2HD1 ILE 31 2HD1 ILE 31 6.367 2.788 7.748 195 3HD1 ILE 31 3HD1 ILE 31 5.163 2.276 8.954 196 H SER 32 H SER 32 6.376 2.557 13.276 197 HA SER 32 HA SER 32 4.631 4.523 13.671 198 2HB SER 32 2HB SER 32 5.196 3.439 16.275 199 HG SER 32 HG SER 32 3.082 3.331 15.901 200 H GLY 33 H GLY 33 7.943 4.274 15.024 201 1HA GLY 33 1HA GLY 33 7.701 6.426 16.865 202 2HA GLY 33 2HA GLY 33 9.175 5.685 16.280 203 H TRP 34 H TRP 34 8.771 6.109 13.430 204 HA TRP 34 HA TRP 34 9.878 8.640 13.164 205 2HB TRP 34 2HB TRP 34 8.424 7.081 11.024 206 HD1 TRP 34 HD TRP 34 11.490 9.450 11.614 207 HE1 TRP 34 1HE TRP 34 11.959 10.897 9.458 208 HE3 TRP 34 3HE TRP 34 7.830 7.356 8.773 209 HZ2 TRP 34 2HZ TRP 34 10.774 11.001 6.863 210 HZ3 TRP 34 3HZ TRP 34 7.552 8.186 6.440 211 HH2 TRP 34 HH TRP 34 8.951 9.944 5.477 212 H ALA 35 H ALA 35 6.519 7.433 12.451 213 HA ALA 35 HA ALA 35 5.491 9.938 11.767 214 1HB ALA 35 1HB ALA 35 4.006 7.581 12.988 215 2HB ALA 35 2HB ALA 35 3.347 8.841 11.917 216 3HB ALA 35 3HB ALA 35 4.515 7.654 11.284 217 H SER 36 H SER 36 5.931 8.242 14.893 218 HA SER 36 HA SER 36 4.334 10.018 16.348 219 2HB SER 36 2HB SER 36 6.682 8.423 17.442 220 HG SER 36 HG SER 36 4.075 8.785 18.607 221 H GLY 37 H GLY 37 7.748 9.977 15.305 222 1HA GLY 37 1HA GLY 37 8.715 11.975 17.053 223 2HA GLY 37 2HA GLY 37 9.427 11.457 15.538 224 H LEU 38 H LEU 38 7.669 12.103 13.565 225 HA LEU 38 HA LEU 38 7.993 14.846 13.301 226 2HB LEU 38 2HB LEU 38 7.854 13.468 11.387 227 HG LEU 38 HG LEU 38 6.064 11.856 12.486 228 1HD1 LEU 38 1HD1 LEU 38 4.127 13.174 10.671 229 2HD1 LEU 38 2HD1 LEU 38 3.868 12.294 12.196 230 3HD1 LEU 38 3HD1 LEU 38 4.429 13.982 12.228 231 1HD2 LEU 38 1HD2 LEU 38 6.841 10.902 10.613 232 2HD2 LEU 38 2HD2 LEU 38 5.333 11.500 9.879 233 3HD2 LEU 38 3HD2 LEU 38 6.839 12.433 9.706 234 H ALA 39 H ALA 39 5.170 12.870 14.366 235 HA ALA 39 HA ALA 39 3.350 14.974 14.504 236 1HB ALA 39 1HB ALA 39 3.608 12.189 15.454 237 2HB ALA 39 2HB ALA 39 2.578 13.214 16.483 238 3HB ALA 39 3HB ALA 39 2.207 13.033 14.751 239 H GLY 40 H GLY 40 5.963 13.890 16.674 240 1HA GLY 40 1HA GLY 40 5.122 15.354 18.957 241 2HA GLY 40 2HA GLY 40 6.711 14.685 18.645 242 H MET 41 H MET 41 4.533 17.424 17.705 243 HA MET 41 HA MET 41 6.122 18.996 16.318 244 2HB MET 41 2HB MET 41 3.768 19.448 17.310 245 2HG MET 41 2HG MET 41 4.918 21.157 19.426 246 1HE MET 41 1HE MET 41 2.308 21.344 21.568 247 2HE MET 41 2HE MET 41 2.722 19.682 22.055 248 3HE MET 41 3HE MET 41 4.010 20.823 21.602 Start of MODEL 11 1 1H ALA 1 1H ALA 1 -23.459 7.411 7.160 2 HA ALA 1 HA ALA 1 -22.770 6.903 9.199 3 1HB ALA 1 1HB ALA 1 -24.384 5.598 10.065 4 2HB ALA 1 2HB ALA 1 -24.674 4.830 8.485 5 3HB ALA 1 3HB ALA 1 -23.428 4.178 9.575 6 H ARG 2 H ARG 2 -20.562 6.997 9.217 7 HA ARG 2 HA ARG 2 -18.838 5.663 7.730 8 2HB ARG 2 2HB ARG 2 -17.816 5.758 10.485 9 2HG ARG 2 2HG ARG 2 -16.874 6.322 7.947 10 2HD ARG 2 2HD ARG 2 -16.539 9.004 9.119 11 HE ARG 2 HE ARG 2 -16.734 7.798 6.493 12 1HH1 ARG 2 2HH2 ARG 2 -17.185 10.839 8.206 13 2HH1 ARG 2 1HH2 ARG 2 -16.904 11.817 6.805 14 1HH2 ARG 2 2HH1 ARG 2 -16.363 9.089 4.644 15 2HH2 ARG 2 1HH1 ARG 2 -16.433 10.815 4.766 16 H SER 3 H SER 3 -17.672 3.655 7.781 17 HA SER 3 HA SER 3 -17.676 1.879 9.844 18 2HB SER 3 2HB SER 3 -20.069 1.594 8.021 19 HG SER 3 HG SER 3 -19.864 -0.658 9.431 20 H TYR 4 H TYR 4 -18.661 1.167 6.423 21 HA TYR 4 HA TYR 4 -17.605 0.132 4.772 22 2HB TYR 4 2HB TYR 4 -15.193 0.886 4.475 23 HD1 TYR 4 1HD TYR 4 -16.676 2.062 2.799 24 HD2 TYR 4 2HD TYR 4 -16.014 3.588 6.741 25 HE1 TYR 4 1HE TYR 4 -17.490 4.354 2.056 26 HE2 TYR 4 2HE TYR 4 -16.830 5.874 5.985 27 HH TYR 4 HH TYR 4 -17.636 7.051 4.368 28 H GLY 5 H GLY 5 -17.655 -2.068 4.964 29 1HA GLY 5 1HA GLY 5 -16.907 -4.149 5.375 30 2HA GLY 5 2HA GLY 5 -15.339 -3.469 5.760 31 H ASN 6 H ASN 6 -14.890 -2.730 7.972 32 HA ASN 6 HA ASN 6 -16.838 -3.137 9.965 33 2HB ASN 6 2HB ASN 6 -16.245 -5.514 9.627 34 1HD2 ASN 6 1HD2 ASN 6 -13.589 -5.303 11.641 35 2HD2 ASN 6 2HD2 ASN 6 -12.320 -5.701 10.532 36 H GLY 7 H GLY 7 -15.893 -0.828 9.991 37 1HA GLY 7 1HA GLY 7 -14.779 0.484 11.589 38 2HA GLY 7 2HA GLY 7 -13.554 -0.757 11.770 39 H VAL 8 H VAL 8 -13.507 2.247 10.995 40 HA VAL 8 HA VAL 8 -11.445 1.954 9.040 41 HB VAL 8 HB VAL 8 -14.162 2.909 8.297 42 1HG1 VAL 8 1HG1 VAL 8 -12.844 4.155 6.346 43 2HG1 VAL 8 2HG1 VAL 8 -13.281 4.980 7.861 44 3HG1 VAL 8 3HG1 VAL 8 -11.630 4.356 7.631 45 1HG2 VAL 8 1HG2 VAL 8 -13.195 2.070 6.021 46 2HG2 VAL 8 2HG2 VAL 8 -11.922 1.344 7.031 47 3HG2 VAL 8 3HG2 VAL 8 -13.624 0.888 7.281 48 H TYR 9 H TYR 9 -13.735 4.121 10.803 49 HA TYR 9 HA TYR 9 -11.730 6.202 10.911 50 2HB TYR 9 2HB TYR 9 -14.120 6.764 10.626 51 HD1 TYR 9 1HD TYR 9 -15.695 4.959 10.273 52 HD2 TYR 9 2HD TYR 9 -14.415 5.986 14.224 53 HE1 TYR 9 1HE TYR 9 -17.573 3.554 11.254 54 HE2 TYR 9 2HE TYR 9 -16.298 4.578 15.192 55 HH TYR 9 HH TYR 9 -18.148 2.445 13.222 56 H CYS 10 H CYS 10 -13.430 3.933 13.163 57 HA CYS 10 HA CYS 10 -11.215 3.597 14.779 58 2HB CYS 10 2HB CYS 10 -13.140 5.679 15.825 59 H ASN 11 H ASN 11 -11.878 2.327 16.812 60 HA ASN 11 HA ASN 11 -14.226 0.806 16.120 61 2HB ASN 11 2HB ASN 11 -12.255 0.264 18.392 62 1HD2 ASN 11 1HD2 ASN 11 -12.820 -1.427 19.517 63 2HD2 ASN 11 2HD2 ASN 11 -13.926 -2.678 19.055 64 H ASN 12 H ASN 12 -15.685 0.100 18.043 65 HA ASN 12 HA ASN 12 -16.942 2.107 19.185 66 2HB ASN 12 2HB ASN 12 -18.021 0.109 19.666 67 1HD2 ASN 12 1HD2 ASN 12 -17.098 -1.260 18.092 68 2HD2 ASN 12 2HD2 ASN 12 -16.031 -2.557 18.519 69 H LYS 13 H LYS 13 -14.652 0.043 21.140 70 HA LYS 13 HA LYS 13 -14.117 2.376 22.814 71 2HB LYS 13 2HB LYS 13 -13.975 -0.597 23.224 72 2HG LYS 13 2HG LYS 13 -12.995 0.273 25.565 73 2HD LYS 13 2HD LYS 13 -10.625 0.138 24.074 74 2HE LYS 13 2HE LYS 13 -11.463 -1.269 26.078 75 1HZ LYS 13 1HZ LYS 13 -13.314 -2.096 24.387 76 2HZ LYS 13 2HZ LYS 13 -12.223 -3.297 24.195 77 3HZ LYS 13 3HZ LYS 13 -12.826 -2.970 25.677 78 H LYS 14 H LYS 14 -12.455 -0.265 20.977 79 HA LYS 14 HA LYS 14 -9.882 0.802 21.421 80 2HB LYS 14 2HB LYS 14 -9.206 -0.803 19.660 81 2HG LYS 14 2HG LYS 14 -11.279 -2.042 21.521 82 2HD LYS 14 2HD LYS 14 -9.692 -3.919 21.581 83 2HE LYS 14 2HE LYS 14 -9.742 -4.611 19.171 84 1HZ LYS 14 1HZ LYS 14 -11.766 -4.606 20.574 85 2HZ LYS 14 2HZ LYS 14 -12.197 -3.180 19.904 86 3HZ LYS 14 3HZ LYS 14 -12.066 -4.514 18.971 87 H CYS 15 H CYS 15 -8.574 1.086 19.059 88 HA CYS 15 HA CYS 15 -10.043 2.773 17.288 89 2HB CYS 15 2HB CYS 15 -7.774 4.311 18.297 90 H TRP 16 H TRP 16 -9.274 1.084 15.834 91 HA TRP 16 HA TRP 16 -6.793 0.063 15.595 92 2HB TRP 16 2HB TRP 16 -8.171 -0.891 14.098 93 HD1 TRP 16 HD TRP 16 -8.851 2.568 12.445 94 HE1 TRP 16 1HE TRP 16 -11.444 2.987 12.191 95 HE3 TRP 16 3HE TRP 16 -10.305 -1.620 14.936 96 HZ2 TRP 16 2HZ TRP 16 -13.760 1.552 13.039 97 HZ3 TRP 16 3HZ TRP 16 -12.751 -2.037 15.179 98 HH2 TRP 16 HH TRP 16 -14.455 -0.532 14.279 99 H VAL 17 H VAL 17 -8.001 3.153 14.099 100 HA VAL 17 HA VAL 17 -6.947 4.981 13.448 101 HB VAL 17 HB VAL 17 -5.014 3.918 15.483 102 1HG1 VAL 17 1HG1 VAL 17 -3.891 6.239 15.257 103 2HG1 VAL 17 2HG1 VAL 17 -3.459 4.971 14.084 104 3HG1 VAL 17 3HG1 VAL 17 -4.599 6.260 13.624 105 1HG2 VAL 17 1HG2 VAL 17 -6.080 6.616 15.822 106 2HG2 VAL 17 2HG2 VAL 17 -7.365 5.399 15.630 107 3HG2 VAL 17 3HG2 VAL 17 -6.148 5.213 16.915 108 H ASN 18 H ASN 18 -3.968 2.965 13.800 109 HA ASN 18 HA ASN 18 -3.884 2.850 10.896 110 2HB ASN 18 2HB ASN 18 -1.212 3.066 12.121 111 1HD2 ASN 18 1HD2 ASN 18 -1.677 6.052 11.221 112 2HD2 ASN 18 2HD2 ASN 18 -1.483 5.987 9.501 113 H ARG 19 H ARG 19 -4.250 0.589 10.756 114 HA ARG 19 HA ARG 19 -3.066 -1.145 12.653 115 2HB ARG 19 2HB ARG 19 -3.952 -2.820 10.664 116 2HG ARG 19 2HG ARG 19 -5.522 -1.336 12.810 117 2HD ARG 19 2HD ARG 19 -7.110 -2.073 11.026 118 HE ARG 19 HE ARG 19 -5.421 -4.313 10.773 119 1HH1 ARG 19 2HH2 ARG 19 -8.867 -3.729 11.175 120 2HH1 ARG 19 1HH2 ARG 19 -9.340 -5.170 10.336 121 1HH2 ARG 19 2HH1 ARG 19 -6.043 -6.213 9.667 122 2HH2 ARG 19 1HH1 ARG 19 -7.722 -6.591 9.472 123 H GLY 20 H GLY 20 -2.582 -0.303 9.169 124 1HA GLY 20 1HA GLY 20 -0.824 -2.085 8.244 125 2HA GLY 20 2HA GLY 20 -0.666 -0.365 7.947 126 H GLU 21 H GLU 21 0.453 0.944 9.782 127 HA GLU 21 HA GLU 21 2.990 0.046 10.072 128 2HB GLU 21 2HB GLU 21 2.502 2.373 10.399 129 2HG GLU 21 2HG GLU 21 0.232 1.458 11.783 130 HE2 GLU 21 HE2 GLU 21 -0.420 2.065 14.254 131 H ALA 22 H ALA 22 0.166 -0.441 12.237 132 HA ALA 22 HA ALA 22 1.556 -1.462 14.427 133 1HB ALA 22 1HB ALA 22 -0.910 -0.713 14.160 134 2HB ALA 22 2HB ALA 22 -1.202 -2.360 13.552 135 3HB ALA 22 3HB ALA 22 -0.578 -2.116 15.202 136 H THR 23 H THR 23 0.094 -3.087 11.536 137 HA THR 23 HA THR 23 0.692 -5.695 12.277 138 HB THR 23 HB THR 23 0.114 -4.167 9.742 139 HG1 THR 23 1HG THR 23 -1.641 -5.016 10.935 140 1HG2 THR 23 1HG2 THR 23 1.469 -6.855 9.903 141 2HG2 THR 23 2HG2 THR 23 0.080 -6.709 8.801 142 3HG2 THR 23 3HG2 THR 23 1.499 -5.657 8.587 143 H GLN 24 H GLN 24 2.568 -3.757 9.850 144 HA GLN 24 HA GLN 24 4.651 -5.407 9.624 145 2HB GLN 24 2HB GLN 24 4.494 -3.423 8.261 146 2HG GLN 24 2HG GLN 24 4.928 -1.882 10.864 147 1HE2 GLN 24 1HE2 GLN 24 6.910 -1.125 9.812 148 2HE2 GLN 24 2HE2 GLN 24 6.826 0.170 8.666 149 H SER 25 H SER 25 4.077 -3.020 12.260 150 HA SER 25 HA SER 25 5.894 -4.527 13.887 151 2HB SER 25 2HB SER 25 6.697 -1.932 14.520 152 HG SER 25 HG SER 25 8.690 -2.550 13.454 153 H ILE 26 H ILE 26 5.129 -4.597 16.001 154 HA ILE 26 HA ILE 26 2.624 -3.387 16.525 155 HB ILE 26 HB ILE 26 2.858 -4.437 18.721 156 2HG1 ILE 26 2HG1 ILE 26 5.705 -4.617 17.899 157 1HG2 ILE 26 1HG2 ILE 26 2.093 -6.274 17.746 158 2HG2 ILE 26 2HG2 ILE 26 2.752 -5.708 16.192 159 3HG2 ILE 26 3HG2 ILE 26 3.741 -6.737 17.256 160 1HD1 ILE 26 1HD1 ILE 26 5.946 -3.656 19.935 161 2HD1 ILE 26 2HD1 ILE 26 4.172 -3.577 20.045 162 3HD1 ILE 26 3HD1 ILE 26 5.042 -4.977 20.716 163 H ILE 27 H ILE 27 6.029 -2.736 17.500 164 HA ILE 27 HA ILE 27 5.513 -0.807 19.406 165 HB ILE 27 HB ILE 27 7.687 -1.979 18.701 166 2HG1 ILE 27 2HG1 ILE 27 7.137 0.176 20.297 167 1HG2 ILE 27 1HG2 ILE 27 8.912 -1.260 16.955 168 2HG2 ILE 27 2HG2 ILE 27 7.339 -0.700 16.338 169 3HG2 ILE 27 3HG2 ILE 27 8.425 0.439 17.170 170 1HD1 ILE 27 1HD1 ILE 27 9.043 -0.486 21.435 171 2HD1 ILE 27 2HD1 ILE 27 8.870 -1.889 20.353 172 3HD1 ILE 27 3HD1 ILE 27 10.020 -0.591 19.951 173 H GLY 28 H GLY 28 5.371 -0.680 15.853 174 1HA GLY 28 1HA GLY 28 3.903 0.918 14.865 175 2HA GLY 28 2HA GLY 28 4.359 2.083 16.092 176 H GLY 29 H GLY 29 4.928 1.007 12.903 177 1HA GLY 29 1HA GLY 29 7.693 1.680 12.657 178 2HA GLY 29 2HA GLY 29 6.539 1.404 11.367 179 H MET 30 H MET 30 4.566 3.332 11.817 180 HA MET 30 HA MET 30 5.719 5.555 10.685 181 2HB MET 30 2HB MET 30 3.396 6.566 11.711 182 2HG MET 30 2HG MET 30 2.190 5.248 9.823 183 1HE MET 30 1HE MET 30 3.714 7.002 6.598 184 2HE MET 30 2HE MET 30 3.817 5.306 7.131 185 3HE MET 30 3HE MET 30 2.271 6.181 7.240 186 H ILE 31 H ILE 31 4.631 4.997 14.103 187 HA ILE 31 HA ILE 31 5.225 7.509 15.074 188 HB ILE 31 HB ILE 31 3.914 5.888 16.278 189 2HG1 ILE 31 2HG1 ILE 31 4.966 7.661 17.568 190 1HG2 ILE 31 1HG2 ILE 31 4.788 3.901 17.269 191 2HG2 ILE 31 2HG2 ILE 31 5.235 3.887 15.545 192 3HG2 ILE 31 3HG2 ILE 31 6.449 4.312 16.776 193 1HD1 ILE 31 1HD1 ILE 31 5.102 4.941 18.948 194 2HD1 ILE 31 2HD1 ILE 31 5.089 6.511 19.787 195 3HD1 ILE 31 3HD1 ILE 31 3.673 5.994 18.840 196 H SER 32 H SER 32 7.318 4.539 15.047 197 HA SER 32 HA SER 32 9.497 5.506 16.222 198 2HB SER 32 2HB SER 32 9.921 3.997 13.650 199 HG SER 32 HG SER 32 11.307 4.371 15.892 200 H GLY 33 H GLY 33 8.318 6.249 12.924 201 1HA GLY 33 1HA GLY 33 10.677 7.595 12.055 202 2HA GLY 33 2HA GLY 33 9.088 7.636 11.317 203 H TRP 34 H TRP 34 7.567 8.572 13.613 204 HA TRP 34 HA TRP 34 7.872 11.319 13.287 205 2HB TRP 34 2HB TRP 34 6.518 9.927 15.599 206 HD1 TRP 34 HD TRP 34 6.276 13.045 13.239 207 HE1 TRP 34 1HE TRP 34 5.124 15.059 14.496 208 HE3 TRP 34 3HE TRP 34 5.341 10.509 17.546 209 HZ2 TRP 34 2HZ TRP 34 3.977 15.360 17.091 210 HZ3 TRP 34 3HZ TRP 34 4.201 11.737 19.392 211 HH2 TRP 34 HH TRP 34 3.525 14.079 19.216 212 H ALA 35 H ALA 35 8.641 9.189 16.142 213 HA ALA 35 HA ALA 35 9.897 11.171 17.628 214 1HB ALA 35 1HB ALA 35 10.571 8.209 17.647 215 2HB ALA 35 2HB ALA 35 10.650 9.363 19.001 216 3HB ALA 35 3HB ALA 35 9.071 8.864 18.347 217 H SER 36 H SER 36 11.100 8.960 15.066 218 HA SER 36 HA SER 36 13.782 9.406 15.449 219 2HB SER 36 2HB SER 36 13.509 9.103 12.688 220 HG SER 36 HG SER 36 13.947 7.458 14.907 221 H GLY 37 H GLY 37 11.272 11.309 13.737 222 1HA GLY 37 1HA GLY 37 13.066 13.095 12.438 223 2HA GLY 37 2HA GLY 37 11.342 13.300 12.678 224 H LEU 38 H LEU 38 11.024 13.302 15.441 225 HA LEU 38 HA LEU 38 11.755 15.897 16.102 226 2HB LEU 38 2HB LEU 38 10.881 15.392 18.286 227 HG LEU 38 HG LEU 38 9.392 14.237 15.962 228 1HD1 LEU 38 1HD1 LEU 38 8.557 12.637 17.338 229 2HD1 LEU 38 2HD1 LEU 38 8.885 13.569 18.819 230 3HD1 LEU 38 3HD1 LEU 38 7.479 13.975 17.804 231 1HD2 LEU 38 1HD2 LEU 38 8.932 16.487 17.928 232 2HD2 LEU 38 2HD2 LEU 38 9.260 16.592 16.181 233 3HD2 LEU 38 3HD2 LEU 38 7.706 15.943 16.759 234 H ALA 39 H ALA 39 13.165 12.722 17.142 235 HA ALA 39 HA ALA 39 15.169 13.879 18.727 236 1HB ALA 39 1HB ALA 39 15.911 11.324 17.542 237 2HB ALA 39 2HB ALA 39 15.502 11.712 19.230 238 3HB ALA 39 3HB ALA 39 14.211 11.314 18.070 239 H GLY 40 H GLY 40 14.783 13.410 15.249 240 1HA GLY 40 1HA GLY 40 17.578 13.647 14.624 241 2HA GLY 40 2HA GLY 40 16.222 13.674 13.514 242 H MET 41 H MET 41 17.406 15.720 16.288 243 HA MET 41 HA MET 41 17.499 17.884 16.545 244 2HB MET 41 2HB MET 41 18.431 19.134 14.416 245 2HG MET 41 2HG MET 41 19.742 16.760 15.783 246 1HE MET 41 1HE MET 41 22.951 19.080 14.460 247 2HE MET 41 2HE MET 41 22.135 18.579 15.961 248 3HE MET 41 3HE MET 41 23.216 17.446 15.114 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -17.756 9.190 5.157 2 HA ALA 1 HA ALA 1 -17.471 6.568 6.453 3 1HB ALA 1 1HB ALA 1 -19.211 6.922 4.473 4 2HB ALA 1 2HB ALA 1 -17.744 6.815 3.470 5 3HB ALA 1 3HB ALA 1 -18.188 5.468 4.545 6 H ARG 2 H ARG 2 -15.397 5.819 6.539 7 HA ARG 2 HA ARG 2 -13.544 6.662 4.554 8 2HB ARG 2 2HB ARG 2 -13.373 8.574 6.105 9 2HG ARG 2 2HG ARG 2 -12.405 7.979 8.462 10 2HD ARG 2 2HD ARG 2 -15.128 8.220 7.477 11 HE ARG 2 HE ARG 2 -14.768 5.966 9.242 12 1HH1 ARG 2 2HH2 ARG 2 -16.848 8.756 8.719 13 2HH1 ARG 2 1HH2 ARG 2 -18.228 8.030 9.473 14 1HH2 ARG 2 2HH1 ARG 2 -16.588 5.007 10.236 15 2HH2 ARG 2 1HH1 ARG 2 -18.079 5.883 10.341 16 H SER 3 H SER 3 -11.133 5.882 5.765 17 HA SER 3 HA SER 3 -11.419 3.586 7.335 18 2HB SER 3 2HB SER 3 -12.258 2.464 5.380 19 HG SER 3 HG SER 3 -11.615 3.862 3.697 20 H TYR 4 H TYR 4 -9.485 5.201 4.728 21 HA TYR 4 HA TYR 4 -7.259 5.422 4.499 22 2HB TYR 4 2HB TYR 4 -6.385 6.673 6.614 23 HD1 TYR 4 1HD TYR 4 -6.309 8.387 4.874 24 HD2 TYR 4 2HD TYR 4 -10.006 7.313 6.740 25 HE1 TYR 4 1HE TYR 4 -7.403 10.478 3.927 26 HE2 TYR 4 2HE TYR 4 -11.088 9.407 5.788 27 HH TYR 4 HH TYR 4 -10.278 10.936 3.426 28 H GLY 5 H GLY 5 -6.532 3.234 4.258 29 1HA GLY 5 1HA GLY 5 -5.477 1.327 4.850 30 2HA GLY 5 2HA GLY 5 -4.469 2.399 5.802 31 H ASN 6 H ASN 6 -4.776 2.590 8.079 32 HA ASN 6 HA ASN 6 -6.972 1.159 9.233 33 2HB ASN 6 2HB ASN 6 -5.451 -0.226 10.701 34 1HD2 ASN 6 1HD2 ASN 6 -7.090 -1.425 9.561 35 2HD2 ASN 6 2HD2 ASN 6 -6.675 -2.398 8.189 36 H GLY 7 H GLY 7 -7.583 2.303 11.098 37 1HA GLY 7 1HA GLY 7 -7.040 3.340 13.154 38 2HA GLY 7 2HA GLY 7 -5.530 3.909 12.470 39 H VAL 8 H VAL 8 -9.098 4.116 11.774 40 HA VAL 8 HA VAL 8 -9.020 6.954 11.898 41 HB VAL 8 HB VAL 8 -8.939 5.558 9.253 42 1HG1 VAL 8 1HG1 VAL 8 -9.814 8.075 8.578 43 2HG1 VAL 8 2HG1 VAL 8 -10.817 6.605 8.590 44 3HG1 VAL 8 3HG1 VAL 8 -10.821 7.696 9.996 45 1HG2 VAL 8 1HG2 VAL 8 -7.780 7.922 8.830 46 2HG2 VAL 8 2HG2 VAL 8 -7.583 7.856 10.599 47 3HG2 VAL 8 3HG2 VAL 8 -6.909 6.563 9.578 48 H TYR 9 H TYR 9 -10.672 3.964 10.733 49 HA TYR 9 HA TYR 9 -13.219 4.670 10.515 50 2HB TYR 9 2HB TYR 9 -13.672 2.386 11.426 51 HD1 TYR 9 1HD TYR 9 -13.509 2.350 8.869 52 HD2 TYR 9 2HD TYR 9 -10.152 1.649 11.427 53 HE1 TYR 9 1HE TYR 9 -12.273 1.227 6.951 54 HE2 TYR 9 2HE TYR 9 -8.927 0.528 9.502 55 HH TYR 9 HH TYR 9 -10.524 0.087 6.364 56 H CYS 10 H CYS 10 -11.501 4.241 13.673 57 HA CYS 10 HA CYS 10 -11.964 4.960 15.693 58 2HB CYS 10 2HB CYS 10 -14.097 6.862 15.133 59 H ASN 11 H ASN 11 -13.370 4.308 17.399 60 HA ASN 11 HA ASN 11 -15.826 3.067 16.439 61 2HB ASN 11 2HB ASN 11 -13.883 2.348 18.671 62 1HD2 ASN 11 1HD2 ASN 11 -14.709 1.894 20.553 63 2HD2 ASN 11 2HD2 ASN 11 -16.256 1.194 20.887 64 H ASN 12 H ASN 12 -14.713 3.673 19.818 65 HA ASN 12 HA ASN 12 -16.396 5.959 20.079 66 2HB ASN 12 2HB ASN 12 -17.582 4.769 22.119 67 1HD2 ASN 12 1HD2 ASN 12 -17.783 2.869 19.163 68 2HD2 ASN 12 2HD2 ASN 12 -19.272 3.520 18.563 69 H LYS 13 H LYS 13 -15.613 3.452 22.564 70 HA LYS 13 HA LYS 13 -14.514 5.110 24.404 71 2HB LYS 13 2HB LYS 13 -15.140 2.750 24.767 72 2HG LYS 13 2HG LYS 13 -12.588 1.552 24.131 73 2HD LYS 13 2HD LYS 13 -15.448 1.128 23.156 74 2HE LYS 13 2HE LYS 13 -12.908 -0.046 22.214 75 1HZ LYS 13 1HZ LYS 13 -14.817 -1.669 23.627 76 2HZ LYS 13 2HZ LYS 13 -14.354 -2.239 22.168 77 3HZ LYS 13 3HZ LYS 13 -13.235 -1.945 23.322 78 H LYS 14 H LYS 14 -13.032 3.799 21.444 79 HA LYS 14 HA LYS 14 -10.882 5.696 21.770 80 2HB LYS 14 2HB LYS 14 -9.940 3.835 22.978 81 2HG LYS 14 2HG LYS 14 -11.495 2.138 21.667 82 2HD LYS 14 2HD LYS 14 -9.193 1.227 20.133 83 2HE LYS 14 2HE LYS 14 -11.068 1.638 18.266 84 1HZ LYS 14 1HZ LYS 14 -10.348 -0.455 19.579 85 2HZ LYS 14 2HZ LYS 14 -11.799 -0.289 20.308 86 3HZ LYS 14 3HZ LYS 14 -11.716 -0.478 18.687 87 H CYS 15 H CYS 15 -9.371 5.427 19.682 88 HA CYS 15 HA CYS 15 -11.256 5.438 17.488 89 2HB CYS 15 2HB CYS 15 -8.436 6.071 16.934 90 H TRP 16 H TRP 16 -7.774 4.422 17.694 91 HA TRP 16 HA TRP 16 -8.001 1.740 17.505 92 2HB TRP 16 2HB TRP 16 -7.587 2.035 14.722 93 HD1 TRP 16 HD TRP 16 -7.673 -0.634 16.031 94 HE1 TRP 16 1HE TRP 16 -9.612 -2.422 15.920 95 HE3 TRP 16 3HE TRP 16 -11.344 2.653 14.777 96 HZ2 TRP 16 2HZ TRP 16 -12.401 -2.263 15.334 97 HZ3 TRP 16 3HZ TRP 16 -13.648 1.756 14.454 98 HH2 TRP 16 HH TRP 16 -14.202 -0.611 14.713 99 H VAL 17 H VAL 17 -6.157 2.948 18.775 100 HA VAL 17 HA VAL 17 -4.052 4.182 17.555 101 HB VAL 17 HB VAL 17 -2.718 3.273 19.467 102 1HG1 VAL 17 1HG1 VAL 17 -4.521 4.218 21.216 103 2HG1 VAL 17 2HG1 VAL 17 -3.630 5.268 20.088 104 3HG1 VAL 17 3HG1 VAL 17 -5.292 4.758 19.704 105 1HG2 VAL 17 1HG2 VAL 17 -5.134 1.543 19.706 106 2HG2 VAL 17 2HG2 VAL 17 -3.430 1.196 20.084 107 3HG2 VAL 17 3HG2 VAL 17 -4.416 2.153 21.216 108 H ASN 18 H ASN 18 -4.633 0.635 17.987 109 HA ASN 18 HA ASN 18 -2.898 0.235 15.714 110 2HB ASN 18 2HB ASN 18 -2.432 -1.893 17.654 111 1HD2 ASN 18 1HD2 ASN 18 -0.223 0.587 18.072 112 2HD2 ASN 18 2HD2 ASN 18 0.931 0.187 16.843 113 H ARG 19 H ARG 19 -3.416 -1.810 14.594 114 HA ARG 19 HA ARG 19 -5.974 -2.864 15.473 115 2HB ARG 19 2HB ARG 19 -5.909 -3.808 12.996 116 2HG ARG 19 2HG ARG 19 -6.218 -1.077 12.386 117 2HD ARG 19 2HD ARG 19 -8.691 -1.606 13.059 118 HE ARG 19 HE ARG 19 -7.095 -2.856 10.927 119 1HH1 ARG 19 2HH2 ARG 19 -10.317 -2.397 12.265 120 2HH1 ARG 19 1HH2 ARG 19 -11.126 -2.753 10.774 121 1HH2 ARG 19 2HH1 ARG 19 -8.160 -3.325 8.961 122 2HH2 ARG 19 1HH1 ARG 19 -9.890 -3.285 8.883 123 H GLY 20 H GLY 20 -2.876 -3.895 13.852 124 1HA GLY 20 1HA GLY 20 -2.092 -5.881 15.504 125 2HA GLY 20 2HA GLY 20 -3.325 -6.665 14.537 126 H GLU 21 H GLU 21 -3.118 -5.963 12.008 127 HA GLU 21 HA GLU 21 -0.914 -7.220 11.071 128 2HB GLU 21 2HB GLU 21 -2.265 -4.995 9.509 129 2HG GLU 21 2HG GLU 21 -0.642 -7.390 8.922 130 HE2 GLU 21 HE2 GLU 21 -2.684 -8.745 9.194 131 H ALA 22 H ALA 22 -1.380 -3.732 11.787 132 HA ALA 22 HA ALA 22 0.883 -2.734 10.559 133 1HB ALA 22 1HB ALA 22 0.597 -0.845 12.059 134 2HB ALA 22 2HB ALA 22 -1.011 -1.443 11.585 135 3HB ALA 22 3HB ALA 22 -0.353 -1.836 13.191 136 H THR 23 H THR 23 0.453 -4.004 13.933 137 HA THR 23 HA THR 23 3.125 -3.637 14.690 138 HB THR 23 HB THR 23 0.779 -5.339 15.617 139 HG1 THR 23 1HG THR 23 0.994 -3.727 17.309 140 1HG2 THR 23 1HG2 THR 23 3.573 -5.867 16.202 141 2HG2 THR 23 2HG2 THR 23 2.811 -5.151 17.642 142 3HG2 THR 23 3HG2 THR 23 2.136 -6.631 16.922 143 H GLN 24 H GLN 24 1.433 -6.574 13.406 144 HA GLN 24 HA GLN 24 3.425 -8.332 13.527 145 2HB GLN 24 2HB GLN 24 2.448 -9.398 11.495 146 2HG GLN 24 2HG GLN 24 0.069 -8.184 12.882 147 1HE2 GLN 24 1HE2 GLN 24 -1.079 -10.170 13.932 148 2HE2 GLN 24 2HE2 GLN 24 -1.245 -11.561 12.915 149 H SER 25 H SER 25 2.921 -5.995 10.784 150 HA SER 25 HA SER 25 5.067 -6.710 9.298 151 2HB SER 25 2HB SER 25 5.030 -4.289 8.493 152 HG SER 25 HG SER 25 2.390 -4.588 8.350 153 H ILE 26 H ILE 26 7.295 -6.450 9.431 154 HA ILE 26 HA ILE 26 8.390 -5.649 11.903 155 HB ILE 26 HB ILE 26 10.537 -6.049 10.802 156 2HG1 ILE 26 2HG1 ILE 26 8.904 -5.754 8.367 157 1HG2 ILE 26 1HG2 ILE 26 10.326 -8.310 10.869 158 2HG2 ILE 26 2HG2 ILE 26 8.755 -7.872 11.581 159 3HG2 ILE 26 3HG2 ILE 26 8.858 -8.322 9.862 160 1HD1 ILE 26 1HD1 ILE 26 10.715 -4.524 7.750 161 2HD1 ILE 26 2HD1 ILE 26 11.263 -4.705 9.433 162 3HD1 ILE 26 3HD1 ILE 26 11.844 -5.829 8.182 163 H ILE 27 H ILE 27 7.968 -4.078 8.704 164 HA ILE 27 HA ILE 27 9.608 -1.893 9.129 165 HB ILE 27 HB ILE 27 7.897 -0.789 7.527 166 2HG1 ILE 27 2HG1 ILE 27 6.175 -2.643 8.230 167 1HG2 ILE 27 1HG2 ILE 27 8.985 -3.183 6.194 168 2HG2 ILE 27 2HG2 ILE 27 9.257 -1.454 5.870 169 3HG2 ILE 27 3HG2 ILE 27 10.157 -2.267 7.173 170 1HD1 ILE 27 1HD1 ILE 27 6.008 -0.813 6.399 171 2HD1 ILE 27 2HD1 ILE 27 6.487 -2.091 5.258 172 3HD1 ILE 27 3HD1 ILE 27 4.987 -2.256 6.199 173 H GLY 28 H GLY 28 6.318 -2.638 10.301 174 1HA GLY 28 1HA GLY 28 5.024 -1.628 11.835 175 2HA GLY 28 2HA GLY 28 6.484 -0.904 12.480 176 H GLY 29 H GLY 29 3.678 -0.460 10.368 177 1HA GLY 29 1HA GLY 29 4.474 2.064 9.290 178 2HA GLY 29 2HA GLY 29 2.880 1.336 9.251 179 H MET 30 H MET 30 2.012 1.074 11.789 180 HA MET 30 HA MET 30 1.326 3.630 12.500 181 2HB MET 30 2HB MET 30 0.906 2.263 14.827 182 2HG MET 30 2HG MET 30 -1.146 1.223 13.686 183 1HE MET 30 1HE MET 30 -1.723 4.683 11.531 184 2HE MET 30 2HE MET 30 -2.179 2.962 11.510 185 3HE MET 30 3HE MET 30 -3.202 4.143 12.363 186 H ILE 31 H ILE 31 3.763 1.410 14.028 187 HA ILE 31 HA ILE 31 4.547 3.110 16.055 188 HB ILE 31 HB ILE 31 5.127 0.787 16.006 189 2HG1 ILE 31 2HG1 ILE 31 6.564 2.247 17.314 190 1HG2 ILE 31 1HG2 ILE 31 5.518 0.944 13.390 191 2HG2 ILE 31 2HG2 ILE 31 7.213 1.137 13.899 192 3HG2 ILE 31 3HG2 ILE 31 6.298 -0.311 14.383 193 1HD1 ILE 31 1HD1 ILE 31 8.720 0.891 17.163 194 2HD1 ILE 31 2HD1 ILE 31 7.238 -0.078 17.348 195 3HD1 ILE 31 3HD1 ILE 31 8.014 0.066 15.753 196 H SER 32 H SER 32 5.980 2.714 12.741 197 HA SER 32 HA SER 32 7.963 4.490 12.906 198 2HB SER 32 2HB SER 32 6.936 5.036 10.377 199 HG SER 32 HG SER 32 8.762 3.260 11.511 200 H GLY 33 H GLY 33 4.458 5.159 12.634 201 1HA GLY 33 1HA GLY 33 4.738 7.956 12.119 202 2HA GLY 33 2HA GLY 33 3.286 7.093 12.583 203 H TRP 34 H TRP 34 4.401 5.868 15.030 204 HA TRP 34 HA TRP 34 3.772 7.894 16.841 205 2HB TRP 34 2HB TRP 34 5.348 5.387 17.429 206 HD1 TRP 34 HD TRP 34 2.662 7.832 18.895 207 HE1 TRP 34 1HE TRP 34 2.806 7.883 21.529 208 HE3 TRP 34 3HE TRP 34 6.314 4.315 19.288 209 HZ2 TRP 34 2HZ TRP 34 4.396 6.480 23.439 210 HZ3 TRP 34 3HZ TRP 34 7.106 3.713 21.574 211 HH2 TRP 34 HH TRP 34 6.208 4.733 23.606 212 H ALA 35 H ALA 35 6.964 6.313 16.072 213 HA ALA 35 HA ALA 35 8.492 8.066 17.603 214 1HB ALA 35 1HB ALA 35 9.126 5.802 16.627 215 2HB ALA 35 2HB ALA 35 9.360 6.630 15.069 216 3HB ALA 35 3HB ALA 35 10.361 7.074 16.473 217 H SER 36 H SER 36 7.337 8.198 14.198 218 HA SER 36 HA SER 36 8.888 10.360 13.446 219 2HB SER 36 2HB SER 36 6.647 10.647 11.896 220 HG SER 36 HG SER 36 8.389 8.378 11.533 221 H GLY 37 H GLY 37 5.799 10.087 15.219 222 1HA GLY 37 1HA GLY 37 5.003 12.797 14.991 223 2HA GLY 37 2HA GLY 37 4.450 11.621 16.167 224 H LEU 38 H LEU 38 6.584 10.934 17.695 225 HA LEU 38 HA LEU 38 6.955 13.212 19.290 226 2HB LEU 38 2HB LEU 38 6.866 11.040 20.260 227 HG LEU 38 HG LEU 38 8.206 9.945 18.232 228 1HD1 LEU 38 1HD1 LEU 38 10.451 9.649 20.088 229 2HD1 LEU 38 2HD1 LEU 38 10.436 9.922 18.329 230 3HD1 LEU 38 3HD1 LEU 38 10.275 11.300 19.446 231 1HD2 LEU 38 1HD2 LEU 38 7.407 9.134 20.862 232 2HD2 LEU 38 2HD2 LEU 38 7.518 8.171 19.369 233 3HD2 LEU 38 3HD2 LEU 38 8.933 8.324 20.437 234 H ALA 39 H ALA 39 9.141 11.423 17.024 235 HA ALA 39 HA ALA 39 11.333 13.139 17.468 236 1HB ALA 39 1HB ALA 39 12.387 11.837 15.852 237 2HB ALA 39 2HB ALA 39 11.116 10.726 16.415 238 3HB ALA 39 3HB ALA 39 10.900 11.629 14.896 239 H GLY 40 H GLY 40 8.441 13.259 15.407 240 1HA GLY 40 1HA GLY 40 9.390 15.226 13.591 241 2HA GLY 40 2HA GLY 40 7.726 14.766 13.891 242 H MET 41 H MET 41 10.470 16.630 15.354 243 HA MET 41 HA MET 41 8.661 18.091 16.998 244 2HB MET 41 2HB MET 41 11.429 19.138 16.526 245 2HG MET 41 2HG MET 41 10.544 18.022 19.162 246 1HE MET 41 1HE MET 41 9.980 21.382 19.526 247 2HE MET 41 2HE MET 41 11.502 22.305 19.528 248 3HE MET 41 3HE MET 41 10.733 21.861 17.985 Start of MODEL 13 1 1H ALA 1 1H ALA 1 -20.331 5.241 2.059 2 HA ALA 1 HA ALA 1 -21.294 3.798 3.946 3 1HB ALA 1 1HB ALA 1 -19.800 1.537 2.784 4 2HB ALA 1 2HB ALA 1 -21.389 1.566 3.587 5 3HB ALA 1 3HB ALA 1 -21.257 1.979 1.861 6 H ARG 2 H ARG 2 -19.827 5.430 4.784 7 HA ARG 2 HA ARG 2 -17.208 5.634 4.338 8 2HB ARG 2 2HB ARG 2 -17.833 5.772 7.235 9 2HG ARG 2 2HG ARG 2 -16.209 7.131 5.432 10 2HD ARG 2 2HD ARG 2 -18.683 8.340 5.068 11 HE ARG 2 HE ARG 2 -17.533 9.492 7.485 12 1HH1 ARG 2 2HH2 ARG 2 -19.378 10.239 4.583 13 2HH1 ARG 2 1HH2 ARG 2 -20.138 11.635 5.271 14 1HH2 ARG 2 2HH1 ARG 2 -18.535 11.333 8.394 15 2HH2 ARG 2 1HH1 ARG 2 -19.656 12.262 7.453 16 H SER 3 H SER 3 -15.250 4.695 5.185 17 HA SER 3 HA SER 3 -15.274 2.750 7.171 18 2HB SER 3 2HB SER 3 -16.235 1.132 5.777 19 HG SER 3 HG SER 3 -16.377 1.505 3.683 20 H TYR 4 H TYR 4 -13.764 3.916 4.102 21 HA TYR 4 HA TYR 4 -11.648 4.308 3.538 22 2HB TYR 4 2HB TYR 4 -10.359 5.359 5.618 23 HD1 TYR 4 1HD TYR 4 -13.793 6.410 6.239 24 HD2 TYR 4 2HD TYR 4 -10.363 7.018 3.755 25 HE1 TYR 4 1HE TYR 4 -14.755 8.624 5.439 26 HE2 TYR 4 2HE TYR 4 -11.337 9.229 2.963 27 HH TYR 4 HH TYR 4 -13.291 10.932 4.342 28 H GLY 5 H GLY 5 -9.162 4.029 4.409 29 1HA GLY 5 1HA GLY 5 -8.575 1.355 4.298 30 2HA GLY 5 2HA GLY 5 -7.523 2.590 4.960 31 H ASN 6 H ASN 6 -8.159 3.349 7.310 32 HA ASN 6 HA ASN 6 -9.636 1.662 8.917 33 2HB ASN 6 2HB ASN 6 -6.819 1.206 9.757 34 1HD2 ASN 6 1HD2 ASN 6 -7.514 0.363 11.610 35 2HD2 ASN 6 2HD2 ASN 6 -8.556 -1.011 11.776 36 H GLY 7 H GLY 7 -10.258 3.502 10.108 37 1HA GLY 7 1HA GLY 7 -9.206 4.563 12.207 38 2HA GLY 7 2HA GLY 7 -8.144 5.325 11.040 39 H VAL 8 H VAL 8 -11.690 4.554 10.874 40 HA VAL 8 HA VAL 8 -12.262 7.405 10.928 41 HB VAL 8 HB VAL 8 -12.638 5.570 8.592 42 1HG1 VAL 8 1HG1 VAL 8 -14.832 6.112 8.529 43 2HG1 VAL 8 2HG1 VAL 8 -14.630 7.503 9.621 44 3HG1 VAL 8 3HG1 VAL 8 -14.233 7.663 7.893 45 1HG2 VAL 8 1HG2 VAL 8 -11.780 7.377 7.324 46 2HG2 VAL 8 2HG2 VAL 8 -12.064 8.542 8.640 47 3HG2 VAL 8 3HG2 VAL 8 -10.786 7.313 8.799 48 H TYR 9 H TYR 9 -14.275 4.652 9.779 49 HA TYR 9 HA TYR 9 -16.517 5.160 11.111 50 2HB TYR 9 2HB TYR 9 -16.246 3.233 9.617 51 HD1 TYR 9 1HD TYR 9 -15.123 1.250 12.480 52 HD2 TYR 9 2HD TYR 9 -13.933 3.019 8.771 53 HE1 TYR 9 1HE TYR 9 -13.035 -0.200 12.449 54 HE2 TYR 9 2HE TYR 9 -11.849 1.563 8.753 55 HH TYR 9 HH TYR 9 -10.469 0.370 10.930 56 H CYS 10 H CYS 10 -13.651 3.455 12.517 57 HA CYS 10 HA CYS 10 -13.030 3.133 14.597 58 2HB CYS 10 2HB CYS 10 -14.450 4.564 16.380 59 H ASN 11 H ASN 11 -13.922 2.244 16.821 60 HA ASN 11 HA ASN 11 -15.761 0.223 16.150 61 2HB ASN 11 2HB ASN 11 -14.041 -0.332 17.749 62 1HD2 ASN 11 1HD2 ASN 11 -14.797 0.221 20.620 63 2HD2 ASN 11 2HD2 ASN 11 -14.015 1.711 21.028 64 H ASN 12 H ASN 12 -15.750 3.172 18.264 65 HA ASN 12 HA ASN 12 -18.553 3.434 17.908 66 2HB ASN 12 2HB ASN 12 -19.169 2.336 19.823 67 1HD2 ASN 12 1HD2 ASN 12 -17.021 3.147 22.161 68 2HD2 ASN 12 2HD2 ASN 12 -15.993 1.755 22.181 69 H LYS 13 H LYS 13 -16.628 4.413 20.801 70 HA LYS 13 HA LYS 13 -16.870 7.185 19.937 71 2HB LYS 13 2HB LYS 13 -16.488 7.765 22.227 72 2HG LYS 13 2HG LYS 13 -18.516 5.787 21.465 73 2HD LYS 13 2HD LYS 13 -17.546 4.542 23.413 74 2HE LYS 13 2HE LYS 13 -17.870 7.256 24.687 75 1HZ LYS 13 1HZ LYS 13 -18.375 6.405 26.698 76 2HZ LYS 13 2HZ LYS 13 -19.229 5.349 25.793 77 3HZ LYS 13 3HZ LYS 13 -17.772 4.919 26.391 78 H LYS 14 H LYS 14 -14.409 4.791 21.090 79 HA LYS 14 HA LYS 14 -12.322 6.629 20.231 80 2HB LYS 14 2HB LYS 14 -10.810 5.194 21.434 81 2HG LYS 14 2HG LYS 14 -13.318 6.174 22.693 82 2HD LYS 14 2HD LYS 14 -12.888 5.145 24.872 83 2HE LYS 14 2HE LYS 14 -13.902 3.746 22.657 84 1HZ LYS 14 1HZ LYS 14 -12.718 1.619 24.071 85 2HZ LYS 14 2HZ LYS 14 -12.777 1.877 22.459 86 3HZ LYS 14 3HZ LYS 14 -11.570 2.527 23.347 87 H CYS 15 H CYS 15 -10.576 4.112 19.805 88 HA CYS 15 HA CYS 15 -11.727 3.048 17.387 89 2HB CYS 15 2HB CYS 15 -9.106 3.825 16.634 90 H TRP 16 H TRP 16 -8.261 3.387 18.321 91 HA TRP 16 HA TRP 16 -8.076 1.089 19.884 92 2HB TRP 16 2HB TRP 16 -8.226 -0.572 18.440 93 HD1 TRP 16 HD TRP 16 -7.061 1.853 15.605 94 HE1 TRP 16 1HE TRP 16 -8.808 1.870 13.627 95 HE3 TRP 16 3HE TRP 16 -10.436 -1.206 17.863 96 HZ2 TRP 16 2HZ TRP 16 -11.348 0.629 13.238 97 HZ3 TRP 16 3HZ TRP 16 -12.524 -1.753 16.616 98 HH2 TRP 16 HH TRP 16 -13.006 -0.889 14.381 99 H VAL 17 H VAL 17 -5.458 0.263 19.221 100 HA VAL 17 HA VAL 17 -3.943 2.745 18.963 101 HB VAL 17 HB VAL 17 -4.081 0.932 21.334 102 1HG1 VAL 17 1HG1 VAL 17 -1.767 2.303 21.829 103 2HG1 VAL 17 2HG1 VAL 17 -1.848 0.615 21.274 104 3HG1 VAL 17 3HG1 VAL 17 -1.589 1.927 20.099 105 1HG2 VAL 17 1HG2 VAL 17 -4.581 2.818 22.455 106 2HG2 VAL 17 2HG2 VAL 17 -3.303 3.753 21.645 107 3HG2 VAL 17 3HG2 VAL 17 -4.876 3.520 20.847 108 H ASN 18 H ASN 18 -3.716 -0.844 19.505 109 HA ASN 18 HA ASN 18 -2.266 -1.071 17.071 110 2HB ASN 18 2HB ASN 18 -0.691 -2.402 19.176 111 1HD2 ASN 18 1HD2 ASN 18 1.377 -0.355 18.971 112 2HD2 ASN 18 2HD2 ASN 18 2.032 -0.439 17.369 113 H ARG 19 H ARG 19 -3.109 -2.977 16.216 114 HA ARG 19 HA ARG 19 -4.228 -4.853 18.105 115 2HB ARG 19 2HB ARG 19 -4.476 -5.029 15.076 116 2HG ARG 19 2HG ARG 19 -6.000 -6.019 17.491 117 2HD ARG 19 2HD ARG 19 -7.901 -6.565 15.856 118 HE ARG 19 HE ARG 19 -7.357 -3.897 16.982 119 1HH1 ARG 19 2HH2 ARG 19 -9.699 -5.971 15.371 120 2HH1 ARG 19 1HH2 ARG 19 -11.066 -5.037 15.878 121 1HH2 ARG 19 2HH1 ARG 19 -9.162 -2.665 17.652 122 2HH2 ARG 19 1HH1 ARG 19 -10.759 -3.145 17.185 123 H GLY 20 H GLY 20 -2.222 -4.829 15.063 124 1HA GLY 20 1HA GLY 20 -0.191 -6.465 16.005 125 2HA GLY 20 2HA GLY 20 -1.394 -7.531 15.306 126 H GLU 21 H GLU 21 -2.414 -6.129 13.143 127 HA GLU 21 HA GLU 21 -0.571 -6.590 11.210 128 2HB GLU 21 2HB GLU 21 -2.064 -5.259 9.720 129 2HG GLU 21 2HG GLU 21 -4.137 -6.507 10.149 130 HE2 GLU 21 HE2 GLU 21 -2.363 -7.785 8.489 131 H ALA 22 H ALA 22 -1.375 -3.458 12.840 132 HA ALA 22 HA ALA 22 0.378 -1.894 11.317 133 1HB ALA 22 1HB ALA 22 -1.582 -1.288 12.953 134 2HB ALA 22 2HB ALA 22 -0.311 -1.314 14.198 135 3HB ALA 22 3HB ALA 22 -0.185 -0.194 12.821 136 H THR 23 H THR 23 0.770 -3.805 14.344 137 HA THR 23 HA THR 23 3.400 -2.876 14.861 138 HB THR 23 HB THR 23 1.492 -4.976 15.862 139 HG1 THR 23 1HG THR 23 1.829 -2.726 16.681 140 1HG2 THR 23 1HG2 THR 23 4.478 -4.927 16.548 141 2HG2 THR 23 2HG2 THR 23 3.235 -5.904 17.366 142 3HG2 THR 23 3HG2 THR 23 3.662 -6.244 15.671 143 H GLN 24 H GLN 24 2.307 -6.158 13.755 144 HA GLN 24 HA GLN 24 4.769 -7.072 13.122 145 2HB GLN 24 2HB GLN 24 2.801 -8.510 13.132 146 2HG GLN 24 2HG GLN 24 1.636 -6.462 11.562 147 1HE2 GLN 24 1HE2 GLN 24 0.596 -6.393 9.608 148 2HE2 GLN 24 2HE2 GLN 24 0.977 -7.430 8.273 149 H SER 25 H SER 25 2.764 -4.732 11.382 150 HA SER 25 HA SER 25 3.720 -4.934 8.866 151 2HB SER 25 2HB SER 25 3.576 -2.136 9.495 152 HG SER 25 HG SER 25 1.226 -3.501 8.710 153 H ILE 26 H ILE 26 5.662 -4.517 7.821 154 HA ILE 26 HA ILE 26 7.951 -4.057 9.415 155 HB ILE 26 HB ILE 26 9.068 -3.955 7.144 156 2HG1 ILE 26 2HG1 ILE 26 6.473 -3.485 6.240 157 1HG2 ILE 26 1HG2 ILE 26 9.058 -5.979 8.440 158 2HG2 ILE 26 2HG2 ILE 26 7.395 -6.355 7.928 159 3HG2 ILE 26 3HG2 ILE 26 8.720 -6.385 6.739 160 1HD1 ILE 26 1HD1 ILE 26 9.189 -3.872 5.152 161 2HD1 ILE 26 2HD1 ILE 26 7.908 -4.319 4.000 162 3HD1 ILE 26 3HD1 ILE 26 7.945 -2.681 4.701 163 H ILE 27 H ILE 27 5.833 -2.031 7.367 164 HA ILE 27 HA ILE 27 7.529 0.185 7.224 165 HB ILE 27 HB ILE 27 5.375 -0.418 5.939 166 2HG1 ILE 27 2HG1 ILE 27 6.877 1.874 6.193 167 1HG2 ILE 27 1HG2 ILE 27 3.787 -0.617 7.686 168 2HG2 ILE 27 2HG2 ILE 27 4.234 0.963 8.375 169 3HG2 ILE 27 3HG2 ILE 27 3.387 0.881 6.811 170 1HD1 ILE 27 1HD1 ILE 27 6.228 2.210 4.009 171 2HD1 ILE 27 2HD1 ILE 27 5.543 0.579 4.204 172 3HD1 ILE 27 3HD1 ILE 27 4.499 2.010 4.383 173 H GLY 28 H GLY 28 5.273 -1.003 9.727 174 1HA GLY 28 1HA GLY 28 4.792 -0.242 11.792 175 2HA GLY 28 2HA GLY 28 6.490 0.179 11.863 176 H GLY 29 H GLY 29 3.205 1.366 11.511 177 1HA GLY 29 1HA GLY 29 3.865 4.008 10.643 178 2HA GLY 29 2HA GLY 29 2.337 3.442 11.288 179 H MET 30 H MET 30 3.059 2.465 13.831 180 HA MET 30 HA MET 30 3.117 4.819 15.275 181 2HB MET 30 2HB MET 30 3.845 2.956 17.138 182 2HG MET 30 2HG MET 30 1.259 2.100 16.641 183 1HE MET 30 1HE MET 30 -0.149 5.232 17.252 184 2HE MET 30 2HE MET 30 0.811 6.134 18.448 185 3HE MET 30 3HE MET 30 1.453 5.870 16.809 186 H ILE 31 H ILE 31 5.701 2.316 14.759 187 HA ILE 31 HA ILE 31 7.648 3.513 16.304 188 HB ILE 31 HB ILE 31 7.823 1.263 15.500 189 2HG1 ILE 31 2HG1 ILE 31 9.903 2.390 16.055 190 1HG2 ILE 31 1HG2 ILE 31 6.769 2.012 13.187 191 2HG2 ILE 31 2HG2 ILE 31 8.482 2.087 12.707 192 3HG2 ILE 31 3HG2 ILE 31 7.798 0.566 13.327 193 1HD1 ILE 31 1HD1 ILE 31 10.052 0.657 13.548 194 2HD1 ILE 31 2HD1 ILE 31 11.462 1.094 14.543 195 3HD1 ILE 31 3HD1 ILE 31 10.154 0.107 15.238 196 H SER 32 H SER 32 7.025 3.883 12.743 197 HA SER 32 HA SER 32 8.984 5.567 12.109 198 2HB SER 32 2HB SER 32 6.078 5.901 11.238 199 HG SER 32 HG SER 32 7.724 7.535 10.520 200 H GLY 33 H GLY 33 6.037 6.299 14.003 201 1HA GLY 33 1HA GLY 33 6.363 9.137 13.973 202 2HA GLY 33 2HA GLY 33 5.313 8.191 15.007 203 H TRP 34 H TRP 34 7.329 6.433 16.164 204 HA TRP 34 HA TRP 34 8.134 8.005 18.313 205 2HB TRP 34 2HB TRP 34 9.342 5.372 17.466 206 HD1 TRP 34 HD TRP 34 8.342 7.505 20.595 207 HE1 TRP 34 1HE TRP 34 9.919 6.941 22.634 208 HE3 TRP 34 3HE TRP 34 10.989 3.870 18.219 209 HZ2 TRP 34 2HZ TRP 34 12.048 5.079 23.016 210 HZ3 TRP 34 3HZ TRP 34 12.799 2.729 19.497 211 HH2 TRP 34 HH TRP 34 13.345 3.281 21.815 212 H ALA 35 H ALA 35 10.096 6.526 15.622 213 HA ALA 35 HA ALA 35 12.469 7.812 16.292 214 1HB ALA 35 1HB ALA 35 11.559 6.986 13.510 215 2HB ALA 35 2HB ALA 35 13.224 7.063 14.137 216 3HB ALA 35 3HB ALA 35 12.100 5.827 14.748 217 H SER 36 H SER 36 9.672 8.806 14.265 218 HA SER 36 HA SER 36 10.926 11.051 13.196 219 2HB SER 36 2HB SER 36 7.972 10.459 13.667 220 HG SER 36 HG SER 36 7.650 12.414 12.873 221 H GLY 37 H GLY 37 9.184 10.394 16.242 222 1HA GLY 37 1HA GLY 37 8.755 13.089 17.009 223 2HA GLY 37 2HA GLY 37 8.731 11.672 18.041 224 H LEU 38 H LEU 38 11.219 10.619 18.062 225 HA LEU 38 HA LEU 38 12.651 12.333 19.692 226 2HB LEU 38 2HB LEU 38 12.938 9.997 19.870 227 HG LEU 38 HG LEU 38 12.689 9.600 17.271 228 1HD1 LEU 38 1HD1 LEU 38 15.566 9.066 17.178 229 2HD1 LEU 38 2HD1 LEU 38 14.487 9.787 15.960 230 3HD1 LEU 38 3HD1 LEU 38 15.168 10.799 17.256 231 1HD2 LEU 38 1HD2 LEU 38 14.047 8.021 19.394 232 2HD2 LEU 38 2HD2 LEU 38 12.585 7.663 18.446 233 3HD2 LEU 38 3HD2 LEU 38 14.195 7.435 17.721 234 H ALA 39 H ALA 39 13.136 11.510 16.194 235 HA ALA 39 HA ALA 39 15.330 13.264 15.906 236 1HB ALA 39 1HB ALA 39 14.241 11.219 14.462 237 2HB ALA 39 2HB ALA 39 13.660 12.622 13.534 238 3HB ALA 39 3HB ALA 39 15.405 12.394 13.802 239 H GLY 40 H GLY 40 11.804 13.622 15.824 240 1HA GLY 40 1HA GLY 40 11.841 16.164 14.478 241 2HA GLY 40 2HA GLY 40 10.479 15.376 15.251 242 H MET 41 H MET 41 13.670 16.880 16.153 243 HA MET 41 HA MET 41 14.252 18.186 17.789 244 2HB MET 41 2HB MET 41 11.856 19.438 18.699 245 2HG MET 41 2HG MET 41 12.973 20.686 16.287 246 1HE MET 41 1HE MET 41 14.804 23.195 18.297 247 2HE MET 41 2HE MET 41 14.283 22.672 16.678 248 3HE MET 41 3HE MET 41 13.399 23.966 17.522 Start of MODEL 14 1 1H ALA 1 1H ALA 1 -23.331 3.339 12.991 2 HA ALA 1 HA ALA 1 -21.867 4.233 14.816 3 1HB ALA 1 1HB ALA 1 -23.334 3.903 16.673 4 2HB ALA 1 2HB ALA 1 -23.560 2.181 16.282 5 3HB ALA 1 3HB ALA 1 -21.993 2.755 16.899 6 H ARG 2 H ARG 2 -22.850 0.729 14.701 7 HA ARG 2 HA ARG 2 -21.607 -1.045 14.387 8 2HB ARG 2 2HB ARG 2 -22.269 -0.323 12.066 9 2HG ARG 2 2HG ARG 2 -20.053 0.468 10.754 10 2HD ARG 2 2HD ARG 2 -22.271 1.965 12.094 11 HE ARG 2 HE ARG 2 -20.756 3.740 12.470 12 1HH1 ARG 2 2HH2 ARG 2 -20.299 2.404 9.247 13 2HH1 ARG 2 1HH2 ARG 2 -19.279 3.699 8.716 14 1HH2 ARG 2 2HH1 ARG 2 -19.410 5.450 11.770 15 2HH2 ARG 2 1HH1 ARG 2 -18.770 5.442 10.160 16 H SER 3 H SER 3 -19.085 -1.366 12.890 17 HA SER 3 HA SER 3 -17.122 0.346 13.802 18 2HB SER 3 2HB SER 3 -17.500 -2.148 15.515 19 HG SER 3 HG SER 3 -15.229 -0.634 14.936 20 H TYR 4 H TYR 4 -18.120 -3.008 12.991 21 HA TYR 4 HA TYR 4 -17.075 -4.636 11.859 22 2HB TYR 4 2HB TYR 4 -16.094 -3.463 9.627 23 HD1 TYR 4 1HD TYR 4 -17.637 -5.379 9.061 24 HD2 TYR 4 2HD TYR 4 -19.099 -1.543 10.267 25 HE1 TYR 4 1HE TYR 4 -19.923 -5.939 8.099 26 HE2 TYR 4 2HE TYR 4 -21.379 -2.116 9.300 27 HH TYR 4 HH TYR 4 -22.675 -3.984 8.737 28 H GLY 5 H GLY 5 -15.394 -5.218 13.366 29 1HA GLY 5 1HA GLY 5 -13.273 -5.492 14.065 30 2HA GLY 5 2HA GLY 5 -12.851 -5.366 12.369 31 H ASN 6 H ASN 6 -12.055 -3.377 11.496 32 HA ASN 6 HA ASN 6 -11.871 -1.160 13.314 33 2HB ASN 6 2HB ASN 6 -9.281 -1.897 11.971 34 1HD2 ASN 6 1HD2 ASN 6 -8.479 -2.300 14.919 35 2HD2 ASN 6 2HD2 ASN 6 -8.294 -0.695 15.543 36 H GLY 7 H GLY 7 -11.210 0.852 12.110 37 1HA GLY 7 1HA GLY 7 -10.978 2.166 10.283 38 2HA GLY 7 2HA GLY 7 -10.701 0.746 9.297 39 H VAL 8 H VAL 8 -13.364 2.422 11.115 40 HA VAL 8 HA VAL 8 -15.015 2.376 8.790 41 HB VAL 8 HB VAL 8 -15.435 0.421 11.018 42 1HG1 VAL 8 1HG1 VAL 8 -17.853 0.259 9.985 43 2HG1 VAL 8 2HG1 VAL 8 -17.495 1.433 11.275 44 3HG1 VAL 8 3HG1 VAL 8 -17.568 1.969 9.578 45 1HG2 VAL 8 1HG2 VAL 8 -15.302 0.403 8.042 46 2HG2 VAL 8 2HG2 VAL 8 -14.697 -0.779 9.228 47 3HG2 VAL 8 3HG2 VAL 8 -16.426 -0.745 8.809 48 H TYR 9 H TYR 9 -15.677 2.277 12.358 49 HA TYR 9 HA TYR 9 -17.435 4.365 12.406 50 2HB TYR 9 2HB TYR 9 -17.006 2.889 14.323 51 HD1 TYR 9 1HD TYR 9 -14.217 5.110 15.212 52 HD2 TYR 9 2HD TYR 9 -15.298 1.174 13.930 53 HE1 TYR 9 1HE TYR 9 -11.897 4.266 15.823 54 HE2 TYR 9 2HE TYR 9 -12.975 0.344 14.544 55 HH TYR 9 HH TYR 9 -11.174 0.919 15.948 56 H CYS 10 H CYS 10 -13.833 4.478 12.757 57 HA CYS 10 HA CYS 10 -12.406 6.114 12.400 58 2HB CYS 10 2HB CYS 10 -14.379 8.154 11.533 59 H ASN 11 H ASN 11 -11.525 7.756 13.761 60 HA ASN 11 HA ASN 11 -12.873 8.104 16.180 61 2HB ASN 11 2HB ASN 11 -10.576 9.875 15.257 62 1HD2 ASN 11 1HD2 ASN 11 -9.487 10.754 16.907 63 2HD2 ASN 11 2HD2 ASN 11 -9.868 10.556 18.585 64 H ASN 12 H ASN 12 -11.649 10.578 13.785 65 HA ASN 12 HA ASN 12 -14.139 11.910 13.772 66 2HB ASN 12 2HB ASN 12 -13.041 14.128 14.614 67 1HD2 ASN 12 1HD2 ASN 12 -12.183 11.750 16.990 68 2HD2 ASN 12 2HD2 ASN 12 -13.606 11.844 17.975 69 H LYS 13 H LYS 13 -10.717 13.145 13.647 70 HA LYS 13 HA LYS 13 -11.161 13.833 10.844 71 2HB LYS 13 2HB LYS 13 -10.509 15.708 12.146 72 2HG LYS 13 2HG LYS 13 -7.932 15.197 13.119 73 2HD LYS 13 2HD LYS 13 -10.242 14.777 14.987 74 2HE LYS 13 2HE LYS 13 -7.589 16.114 14.927 75 1HZ LYS 13 1HZ LYS 13 -9.876 17.607 15.541 76 2HZ LYS 13 2HZ LYS 13 -8.991 17.398 16.898 77 3HZ LYS 13 3HZ LYS 13 -8.311 18.073 15.575 78 H LYS 14 H LYS 14 -9.162 11.860 13.050 79 HA LYS 14 HA LYS 14 -7.472 11.020 10.858 80 2HB LYS 14 2HB LYS 14 -6.232 9.815 12.549 81 2HG LYS 14 2HG LYS 14 -7.151 12.564 13.516 82 2HD LYS 14 2HD LYS 14 -4.875 12.591 14.628 83 2HE LYS 14 2HE LYS 14 -5.517 11.139 16.550 84 1HZ LYS 14 1HZ LYS 14 -7.962 12.312 15.455 85 2HZ LYS 14 2HZ LYS 14 -7.479 12.241 17.014 86 3HZ LYS 14 3HZ LYS 14 -6.733 13.256 15.974 87 H CYS 15 H CYS 15 -7.147 8.266 11.731 88 HA CYS 15 HA CYS 15 -9.472 6.849 11.945 89 2HB CYS 15 2HB CYS 15 -8.882 6.481 9.103 90 H TRP 16 H TRP 16 -8.620 4.944 12.707 91 HA TRP 16 HA TRP 16 -6.020 4.127 11.604 92 2HB TRP 16 2HB TRP 16 -5.654 4.625 13.847 93 HD1 TRP 16 HD TRP 16 -8.296 1.897 14.703 94 HE1 TRP 16 1HE TRP 16 -9.933 2.742 16.594 95 HE3 TRP 16 3HE TRP 16 -6.445 6.627 14.919 96 HZ2 TRP 16 2HZ TRP 16 -10.261 5.239 17.937 97 HZ3 TRP 16 3HZ TRP 16 -7.479 8.207 16.548 98 HH2 TRP 16 HH TRP 16 -9.323 7.579 18.024 99 H VAL 17 H VAL 17 -5.738 1.656 11.629 100 HA VAL 17 HA VAL 17 -8.003 0.000 11.769 101 HB VAL 17 HB VAL 17 -8.794 1.067 9.813 102 1HG1 VAL 17 1HG1 VAL 17 -6.013 0.696 8.654 103 2HG1 VAL 17 2HG1 VAL 17 -7.430 1.264 7.738 104 3HG1 VAL 17 3HG1 VAL 17 -6.797 2.232 9.091 105 1HG2 VAL 17 1HG2 VAL 17 -7.400 -1.428 8.804 106 2HG2 VAL 17 2HG2 VAL 17 -8.812 -1.461 9.887 107 3HG2 VAL 17 3HG2 VAL 17 -8.952 -0.743 8.265 108 H ASN 18 H ASN 18 -4.785 0.684 10.303 109 HA ASN 18 HA ASN 18 -4.112 -2.083 10.930 110 2HB ASN 18 2HB ASN 18 -2.223 -1.671 9.182 111 1HD2 ASN 18 1HD2 ASN 18 -2.688 -2.062 6.858 112 2HD2 ASN 18 2HD2 ASN 18 -4.146 -2.894 6.433 113 H ARG 19 H ARG 19 -3.408 -1.527 13.114 114 HA ARG 19 HA ARG 19 -1.223 0.385 13.197 115 2HB ARG 19 2HB ARG 19 -1.917 -0.309 15.853 116 2HG ARG 19 2HG ARG 19 -2.250 2.015 14.016 117 2HD ARG 19 2HD ARG 19 -4.560 1.799 15.000 118 HE ARG 19 HE ARG 19 -3.053 1.447 17.491 119 1HH1 ARG 19 2HH2 ARG 19 -6.127 2.429 16.087 120 2HH1 ARG 19 1HH2 ARG 19 -7.030 2.130 17.536 121 1HH2 ARG 19 2HH1 ARG 19 -4.243 1.051 19.402 122 2HH2 ARG 19 1HH1 ARG 19 -5.951 1.341 19.433 123 H GLY 20 H GLY 20 -2.330 -2.773 14.638 124 1HA GLY 20 1HA GLY 20 0.061 -3.550 15.800 125 2HA GLY 20 2HA GLY 20 -1.200 -4.623 15.225 126 H GLU 21 H GLU 21 -1.260 -4.568 12.559 127 HA GLU 21 HA GLU 21 0.890 -6.015 11.779 128 2HB GLU 21 2HB GLU 21 -0.631 -4.274 9.815 129 2HG GLU 21 2HG GLU 21 0.844 -6.874 9.801 130 HE2 GLU 21 HE2 GLU 21 -0.296 -8.607 9.531 131 H ALA 22 H ALA 22 0.392 -2.461 11.634 132 HA ALA 22 HA ALA 22 2.508 -1.795 9.990 133 1HB ALA 22 1HB ALA 22 2.271 0.407 10.931 134 2HB ALA 22 2HB ALA 22 0.648 -0.321 10.890 135 3HB ALA 22 3HB ALA 22 1.550 -0.242 12.422 136 H THR 23 H THR 23 2.416 -2.187 13.598 137 HA THR 23 HA THR 23 5.153 -1.647 13.959 138 HB THR 23 HB THR 23 2.902 -2.933 15.541 139 HG1 THR 23 1HG THR 23 3.069 -0.628 15.490 140 1HG2 THR 23 1HG2 THR 23 5.862 -2.763 16.292 141 2HG2 THR 23 2HG2 THR 23 4.564 -2.834 17.508 142 3HG2 THR 23 3HG2 THR 23 4.805 -4.193 16.384 143 H GLN 24 H GLN 24 3.338 -4.723 13.454 144 HA GLN 24 HA GLN 24 5.330 -6.468 13.945 145 2HB GLN 24 2HB GLN 24 4.192 -7.952 12.242 146 2HG GLN 24 2HG GLN 24 1.907 -7.824 13.327 147 1HE2 GLN 24 1HE2 GLN 24 2.187 -7.163 16.153 148 2HE2 GLN 24 2HE2 GLN 24 3.288 -8.305 16.847 149 H SER 25 H SER 25 4.666 -4.746 10.820 150 HA SER 25 HA SER 25 6.596 -5.900 9.317 151 2HB SER 25 2HB SER 25 6.593 -3.749 8.007 152 HG SER 25 HG SER 25 3.904 -3.792 8.498 153 H ILE 26 H ILE 26 8.823 -5.361 8.798 154 HA ILE 26 HA ILE 26 10.334 -4.600 11.058 155 HB ILE 26 HB ILE 26 10.983 -6.244 9.298 156 2HG1 ILE 26 2HG1 ILE 26 12.525 -4.745 10.929 157 1HG2 ILE 26 1HG2 ILE 26 11.496 -3.747 7.659 158 2HG2 ILE 26 2HG2 ILE 26 12.059 -5.385 7.248 159 3HG2 ILE 26 3HG2 ILE 26 10.315 -5.033 7.311 160 1HD1 ILE 26 1HD1 ILE 26 12.750 -7.163 9.473 161 2HD1 ILE 26 2HD1 ILE 26 14.250 -6.267 9.135 162 3HD1 ILE 26 3HD1 ILE 26 13.786 -6.622 10.816 163 H ILE 27 H ILE 27 9.433 -2.974 7.964 164 HA ILE 27 HA ILE 27 10.973 -0.691 8.363 165 HB ILE 27 HB ILE 27 8.486 -1.294 6.790 166 2HG1 ILE 27 2HG1 ILE 27 10.827 -2.198 6.213 167 1HG2 ILE 27 1HG2 ILE 27 8.563 0.871 5.763 168 2HG2 ILE 27 2HG2 ILE 27 8.434 1.090 7.525 169 3HG2 ILE 27 3HG2 ILE 27 9.999 1.328 6.710 170 1HD1 ILE 27 1HD1 ILE 27 10.449 -1.838 3.810 171 2HD1 ILE 27 2HD1 ILE 27 8.891 -2.120 4.623 172 3HD1 ILE 27 3HD1 ILE 27 9.369 -0.468 4.162 173 H GLY 28 H GLY 28 7.824 -1.722 9.669 174 1HA GLY 28 1HA GLY 28 6.364 -0.685 11.054 175 2HA GLY 28 2HA GLY 28 7.821 -0.267 11.934 176 H GLY 29 H GLY 29 5.364 0.860 9.622 177 1HA GLY 29 1HA GLY 29 6.534 3.425 9.157 178 2HA GLY 29 2HA GLY 29 4.905 2.904 8.773 179 H MET 30 H MET 30 3.657 2.297 11.089 180 HA MET 30 HA MET 30 3.111 4.756 12.178 181 2HB MET 30 2HB MET 30 2.194 3.071 14.113 182 2HG MET 30 2HG MET 30 0.289 2.456 12.469 183 1HE MET 30 1HE MET 30 0.322 3.350 14.808 184 2HE MET 30 2HE MET 30 0.163 5.060 15.278 185 3HE MET 30 3HE MET 30 -1.229 4.194 14.586 186 H ILE 31 H ILE 31 5.066 2.016 13.543 187 HA ILE 31 HA ILE 31 5.684 3.204 15.955 188 HB ILE 31 HB ILE 31 6.050 0.877 15.518 189 2HG1 ILE 31 2HG1 ILE 31 7.398 1.885 17.270 190 1HG2 ILE 31 1HG2 ILE 31 7.347 -0.033 13.876 191 2HG2 ILE 31 2HG2 ILE 31 6.847 1.469 13.061 192 3HG2 ILE 31 3HG2 ILE 31 8.456 1.359 13.817 193 1HD1 ILE 31 1HD1 ILE 31 7.853 -0.461 16.952 194 2HD1 ILE 31 2HD1 ILE 31 8.835 -0.139 15.503 195 3HD1 ILE 31 3HD1 ILE 31 9.436 0.339 17.109 196 H SER 32 H SER 32 7.563 3.260 12.847 197 HA SER 32 HA SER 32 9.666 4.696 13.590 198 2HB SER 32 2HB SER 32 8.015 5.074 11.053 199 HG SER 32 HG SER 32 10.623 5.375 10.564 200 H GLY 33 H GLY 33 6.316 5.869 13.161 201 1HA GLY 33 1HA GLY 33 6.968 8.651 13.312 202 2HA GLY 33 2HA GLY 33 5.382 7.913 13.423 203 H TRP 34 H TRP 34 5.839 6.104 15.621 204 HA TRP 34 HA TRP 34 5.342 7.807 17.766 205 2HB TRP 34 2HB TRP 34 6.309 4.951 17.930 206 HD1 TRP 34 HD TRP 34 3.883 7.529 19.614 207 HE1 TRP 34 1HE TRP 34 3.662 7.030 22.195 208 HE3 TRP 34 3HE TRP 34 6.854 3.403 19.605 209 HZ2 TRP 34 2HZ TRP 34 4.731 5.010 23.906 210 HZ3 TRP 34 3HZ TRP 34 7.214 2.226 21.772 211 HH2 TRP 34 HH TRP 34 6.208 2.967 23.873 212 H ALA 35 H ALA 35 8.278 5.824 16.923 213 HA ALA 35 HA ALA 35 9.853 6.820 19.004 214 1HB ALA 35 1HB ALA 35 10.799 5.820 16.294 215 2HB ALA 35 2HB ALA 35 11.659 5.737 17.851 216 3HB ALA 35 3HB ALA 35 10.207 4.743 17.582 217 H SER 36 H SER 36 9.197 7.962 15.664 218 HA SER 36 HA SER 36 11.222 9.878 15.658 219 2HB SER 36 2HB SER 36 8.614 9.649 14.100 220 HG SER 36 HG SER 36 9.556 11.882 14.180 221 H GLY 37 H GLY 37 7.852 9.815 16.843 222 1HA GLY 37 1HA GLY 37 7.482 12.594 17.150 223 2HA GLY 37 2HA GLY 37 6.609 11.314 17.968 224 H LEU 38 H LEU 38 8.356 10.013 19.568 225 HA LEU 38 HA LEU 38 8.736 11.769 21.682 226 2HB LEU 38 2HB LEU 38 8.414 9.464 22.086 227 HG LEU 38 HG LEU 38 9.786 8.739 19.940 228 1HD1 LEU 38 1HD1 LEU 38 11.999 8.165 20.209 229 2HD1 LEU 38 2HD1 LEU 38 11.908 9.670 21.155 230 3HD1 LEU 38 3HD1 LEU 38 11.883 8.096 21.984 231 1HD2 LEU 38 1HD2 LEU 38 8.736 6.920 20.698 232 2HD2 LEU 38 2HD2 LEU 38 10.268 6.531 21.517 233 3HD2 LEU 38 3HD2 LEU 38 8.975 7.377 22.401 234 H ALA 39 H ALA 39 10.930 10.667 19.065 235 HA ALA 39 HA ALA 39 13.265 11.767 20.182 236 1HB ALA 39 1HB ALA 39 13.877 10.344 18.524 237 2HB ALA 39 2HB ALA 39 12.353 10.574 17.633 238 3HB ALA 39 3HB ALA 39 13.672 11.757 17.460 239 H GLY 40 H GLY 40 10.564 13.078 18.258 240 1HA GLY 40 1HA GLY 40 11.815 15.468 17.430 241 2HA GLY 40 2HA GLY 40 10.095 15.158 17.544 242 H MET 41 H MET 41 12.997 15.898 19.584 243 HA MET 41 HA MET 41 11.783 18.040 20.819 244 2HB MET 41 2HB MET 41 10.443 16.047 21.830 245 2HG MET 41 2HG MET 41 12.950 14.943 22.225 246 1HE MET 41 1HE MET 41 11.968 14.827 26.380 247 2HE MET 41 2HE MET 41 11.815 13.784 24.946 248 3HE MET 41 3HE MET 41 13.387 13.948 25.763 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -20.133 -3.093 13.041 2 HA ALA 1 HA ALA 1 -21.037 -0.992 13.039 3 1HB ALA 1 1HB ALA 1 -19.632 0.656 14.736 4 2HB ALA 1 2HB ALA 1 -21.132 -0.201 15.165 5 3HB ALA 1 3HB ALA 1 -19.553 -0.899 15.597 6 H ARG 2 H ARG 2 -20.110 -1.062 10.919 7 HA ARG 2 HA ARG 2 -18.823 -0.424 9.305 8 2HB ARG 2 2HB ARG 2 -17.274 1.664 10.742 9 2HG ARG 2 2HG ARG 2 -18.216 1.273 8.170 10 2HD ARG 2 2HD ARG 2 -19.749 3.509 8.134 11 HE ARG 2 HE ARG 2 -20.442 0.650 8.206 12 1HH1 ARG 2 2HH2 ARG 2 -21.639 3.928 7.753 13 2HH1 ARG 2 1HH2 ARG 2 -23.039 3.431 6.863 14 1HH2 ARG 2 2HH1 ARG 2 -22.290 -0.006 7.033 15 2HH2 ARG 2 1HH1 ARG 2 -23.412 1.177 6.451 16 H SER 3 H SER 3 -16.476 -0.269 8.491 17 HA SER 3 HA SER 3 -14.342 -0.716 10.170 18 2HB SER 3 2HB SER 3 -15.228 -3.299 8.823 19 HG SER 3 HG SER 3 -12.895 -2.655 9.719 20 H TYR 4 H TYR 4 -15.835 -1.695 7.015 21 HA TYR 4 HA TYR 4 -14.932 -1.823 4.959 22 2HB TYR 4 2HB TYR 4 -13.915 0.581 4.448 23 HD1 TYR 4 1HD TYR 4 -16.471 1.316 6.950 24 HD2 TYR 4 2HD TYR 4 -15.801 0.200 2.875 25 HE1 TYR 4 1HE TYR 4 -18.859 1.967 6.372 26 HE2 TYR 4 2HE TYR 4 -18.191 0.854 2.310 27 HH TYR 4 HH TYR 4 -20.300 1.091 3.421 28 H GLY 5 H GLY 5 -13.322 -3.516 5.531 29 1HA GLY 5 1HA GLY 5 -11.211 -4.312 5.805 30 2HA GLY 5 2HA GLY 5 -10.903 -3.265 4.435 31 H ASN 6 H ASN 6 -11.729 -2.372 7.849 32 HA ASN 6 HA ASN 6 -10.665 -1.235 9.359 33 2HB ASN 6 2HB ASN 6 -8.150 -1.267 9.439 34 1HD2 ASN 6 1HD2 ASN 6 -8.177 -2.623 11.069 35 2HD2 ASN 6 2HD2 ASN 6 -8.548 -4.315 11.014 36 H GLY 7 H GLY 7 -9.175 0.851 9.641 37 1HA GLY 7 1HA GLY 7 -8.717 2.973 9.063 38 2HA GLY 7 2HA GLY 7 -8.365 2.384 7.451 39 H VAL 8 H VAL 8 -11.100 3.305 9.635 40 HA VAL 8 HA VAL 8 -12.285 4.897 7.638 41 HB VAL 8 HB VAL 8 -13.176 2.079 7.908 42 1HG1 VAL 8 1HG1 VAL 8 -15.195 2.774 8.720 43 2HG1 VAL 8 2HG1 VAL 8 -15.030 4.415 8.050 44 3HG1 VAL 8 3HG1 VAL 8 -15.488 3.061 6.988 45 1HG2 VAL 8 1HG2 VAL 8 -14.078 3.192 5.510 46 2HG2 VAL 8 2HG2 VAL 8 -12.524 4.003 5.820 47 3HG2 VAL 8 3HG2 VAL 8 -12.602 2.225 5.752 48 H TYR 9 H TYR 9 -12.669 2.925 10.628 49 HA TYR 9 HA TYR 9 -14.538 4.867 11.698 50 2HB TYR 9 2HB TYR 9 -14.876 2.450 12.105 51 HD1 TYR 9 1HD TYR 9 -12.131 2.770 14.549 52 HD2 TYR 9 2HD TYR 9 -13.431 0.893 10.931 53 HE1 TYR 9 1HE TYR 9 -10.215 1.107 14.715 54 HE2 TYR 9 2HE TYR 9 -11.510 -0.762 11.109 55 HH TYR 9 HH TYR 9 -9.463 -1.043 12.095 56 H CYS 10 H CYS 10 -11.936 5.952 11.079 57 HA CYS 10 HA CYS 10 -10.386 5.967 13.461 58 2HB CYS 10 2HB CYS 10 -10.064 8.127 11.449 59 H ASN 11 H ASN 11 -11.911 6.614 15.119 60 HA ASN 11 HA ASN 11 -13.640 8.697 14.948 61 2HB ASN 11 2HB ASN 11 -12.387 8.588 17.603 62 1HD2 ASN 11 1HD2 ASN 11 -14.024 9.650 18.458 63 2HD2 ASN 11 2HD2 ASN 11 -15.697 9.203 18.389 64 H ASN 12 H ASN 12 -13.133 10.624 16.904 65 HA ASN 12 HA ASN 12 -11.053 12.130 15.626 66 2HB ASN 12 2HB ASN 12 -11.937 14.016 17.026 67 1HD2 ASN 12 1HD2 ASN 12 -14.735 11.945 16.866 68 2HD2 ASN 12 2HD2 ASN 12 -15.433 12.575 15.410 69 H LYS 13 H LYS 13 -12.113 11.618 19.086 70 HA LYS 13 HA LYS 13 -9.594 12.277 20.143 71 2HB LYS 13 2HB LYS 13 -11.714 12.518 21.367 72 2HG LYS 13 2HG LYS 13 -11.797 9.666 22.174 73 2HD LYS 13 2HD LYS 13 -14.303 10.568 21.209 74 2HE LYS 13 2HE LYS 13 -13.204 10.833 24.046 75 1HZ LYS 13 1HZ LYS 13 -15.674 9.984 24.213 76 2HZ LYS 13 2HZ LYS 13 -15.300 11.573 24.197 77 3HZ LYS 13 3HZ LYS 13 -15.816 10.842 22.831 78 H LYS 14 H LYS 14 -11.122 9.230 19.069 79 HA LYS 14 HA LYS 14 -8.857 7.717 20.073 80 2HB LYS 14 2HB LYS 14 -10.183 5.772 19.188 81 2HG LYS 14 2HG LYS 14 -11.363 7.729 21.196 82 2HD LYS 14 2HD LYS 14 -12.643 5.542 21.930 83 2HE LYS 14 2HE LYS 14 -14.538 6.127 20.279 84 1HZ LYS 14 1HZ LYS 14 -13.742 8.655 21.266 85 2HZ LYS 14 2HZ LYS 14 -15.014 7.728 21.702 86 3HZ LYS 14 3HZ LYS 14 -13.554 7.491 22.395 87 H CYS 15 H CYS 15 -10.439 6.886 17.017 88 HA CYS 15 HA CYS 15 -9.749 7.201 14.896 89 2HB CYS 15 2HB CYS 15 -6.969 8.014 15.627 90 H TRP 16 H TRP 16 -7.559 5.926 17.448 91 HA TRP 16 HA TRP 16 -6.524 3.981 17.668 92 2HB TRP 16 2HB TRP 16 -7.227 2.050 16.228 93 HD1 TRP 16 HD TRP 16 -7.939 1.409 18.796 94 HE1 TRP 16 1HE TRP 16 -10.202 1.484 20.150 95 HE3 TRP 16 3HE TRP 16 -10.365 4.521 15.589 96 HZ2 TRP 16 2HZ TRP 16 -12.697 2.807 19.738 97 HZ3 TRP 16 3HZ TRP 16 -12.713 5.155 16.139 98 HH2 TRP 16 HH TRP 16 -13.877 4.352 18.131 99 H VAL 17 H VAL 17 -4.523 5.086 17.139 100 HA VAL 17 HA VAL 17 -3.632 5.554 14.561 101 HB VAL 17 HB VAL 17 -2.658 6.558 16.527 102 1HG1 VAL 17 1HG1 VAL 17 -2.896 4.246 17.812 103 2HG1 VAL 17 2HG1 VAL 17 -1.203 4.058 17.297 104 3HG1 VAL 17 3HG1 VAL 17 -1.681 5.456 18.288 105 1HG2 VAL 17 1HG2 VAL 17 -1.150 6.647 14.752 106 2HG2 VAL 17 2HG2 VAL 17 -0.177 5.931 16.060 107 3HG2 VAL 17 3HG2 VAL 17 -0.851 4.893 14.781 108 H ASN 18 H ASN 18 -3.338 2.648 16.679 109 HA ASN 18 HA ASN 18 -2.879 1.121 14.284 110 2HB ASN 18 2HB ASN 18 -0.582 1.390 14.876 111 1HD2 ASN 18 1HD2 ASN 18 1.137 1.121 16.533 112 2HD2 ASN 18 2HD2 ASN 18 0.868 1.767 18.118 113 H ARG 19 H ARG 19 -4.746 -0.159 14.561 114 HA ARG 19 HA ARG 19 -5.892 -0.758 16.951 115 2HB ARG 19 2HB ARG 19 -6.676 -2.907 15.459 116 2HG ARG 19 2HG ARG 19 -8.046 -0.876 16.175 117 2HD ARG 19 2HD ARG 19 -6.492 0.756 14.893 118 HE ARG 19 HE ARG 19 -7.249 -0.754 12.666 119 1HH1 ARG 19 2HH2 ARG 19 -7.476 2.631 13.597 120 2HH1 ARG 19 1HH2 ARG 19 -7.405 3.217 11.968 121 1HH2 ARG 19 2HH1 ARG 19 -7.154 0.017 10.517 122 2HH2 ARG 19 1HH1 ARG 19 -7.220 1.719 10.205 123 H GLY 20 H GLY 20 -3.761 -2.892 14.902 124 1HA GLY 20 1HA GLY 20 -2.326 -3.924 17.102 125 2HA GLY 20 2HA GLY 20 -3.607 -5.038 16.675 126 H GLU 21 H GLU 21 -3.817 -4.964 13.947 127 HA GLU 21 HA GLU 21 -1.795 -6.556 13.112 128 2HB GLU 21 2HB GLU 21 -3.047 -4.818 11.024 129 2HG GLU 21 2HG GLU 21 -2.920 -7.830 11.522 130 HE2 GLU 21 HE2 GLU 21 -5.227 -8.387 9.413 131 H ALA 22 H ALA 22 -2.154 -2.982 12.623 132 HA ALA 22 HA ALA 22 0.115 -2.608 11.082 133 1HB ALA 22 1HB ALA 22 -1.776 -0.985 11.595 134 2HB ALA 22 2HB ALA 22 -0.991 -0.688 13.165 135 3HB ALA 22 3HB ALA 22 -0.138 -0.288 11.654 136 H THR 23 H THR 23 -0.320 -2.628 14.676 137 HA THR 23 HA THR 23 2.282 -1.922 15.343 138 HB THR 23 HB THR 23 -0.076 -3.281 16.611 139 HG1 THR 23 1HG THR 23 0.562 -1.504 18.124 140 1HG2 THR 23 1HG2 THR 23 2.689 -3.198 17.927 141 2HG2 THR 23 2HG2 THR 23 1.170 -3.738 18.683 142 3HG2 THR 23 3HG2 THR 23 1.899 -4.693 17.370 143 H GLN 24 H GLN 24 0.929 -5.292 15.322 144 HA GLN 24 HA GLN 24 3.367 -6.492 15.635 145 2HB GLN 24 2HB GLN 24 1.294 -7.716 15.958 146 2HG GLN 24 2HG GLN 24 0.870 -7.081 13.017 147 1HE2 GLN 24 1HE2 GLN 24 -1.892 -8.051 14.420 148 2HE2 GLN 24 2HE2 GLN 24 -1.980 -9.709 13.926 149 H SER 25 H SER 25 1.776 -5.197 12.725 150 HA SER 25 HA SER 25 3.123 -6.512 10.778 151 2HB SER 25 2HB SER 25 2.975 -3.774 9.968 152 HG SER 25 HG SER 25 1.439 -6.154 9.603 153 H ILE 26 H ILE 26 5.009 -5.809 9.407 154 HA ILE 26 HA ILE 26 7.246 -5.274 11.031 155 HB ILE 26 HB ILE 26 6.879 -5.382 8.038 156 2HG1 ILE 26 2HG1 ILE 26 6.471 -7.440 9.575 157 1HG2 ILE 26 1HG2 ILE 26 8.828 -4.012 8.581 158 2HG2 ILE 26 2HG2 ILE 26 9.454 -5.303 9.634 159 3HG2 ILE 26 3HG2 ILE 26 9.312 -5.575 7.881 160 1HD1 ILE 26 1HD1 ILE 26 6.828 -7.442 7.056 161 2HD1 ILE 26 2HD1 ILE 26 8.565 -7.667 7.369 162 3HD1 ILE 26 3HD1 ILE 26 7.400 -8.911 7.884 163 H ILE 27 H ILE 27 5.368 -3.308 8.646 164 HA ILE 27 HA ILE 27 6.964 -1.064 8.687 165 HB ILE 27 HB ILE 27 5.188 0.050 7.693 166 2HG1 ILE 27 2HG1 ILE 27 3.391 -1.748 9.318 167 1HG2 ILE 27 1HG2 ILE 27 4.048 -2.465 6.799 168 2HG2 ILE 27 2HG2 ILE 27 5.051 -1.286 5.921 169 3HG2 ILE 27 3HG2 ILE 27 5.823 -2.552 6.906 170 1HD1 ILE 27 1HD1 ILE 27 4.338 0.943 9.523 171 2HD1 ILE 27 2HD1 ILE 27 2.621 1.029 9.058 172 3HD1 ILE 27 3HD1 ILE 27 3.103 0.142 10.524 173 H GLY 28 H GLY 28 4.669 -2.319 11.092 174 1HA GLY 28 1HA GLY 28 4.031 -0.168 12.607 175 2HA GLY 28 2HA GLY 28 4.419 -1.746 13.263 176 H GLY 29 H GLY 29 7.239 -1.769 12.336 177 1HA GLY 29 1HA GLY 29 8.395 -0.391 14.556 178 2HA GLY 29 2HA GLY 29 9.223 -1.320 13.322 179 H MET 30 H MET 30 8.383 0.042 10.957 180 HA MET 30 HA MET 30 10.201 2.148 10.983 181 2HB MET 30 2HB MET 30 8.765 2.592 8.701 182 2HG MET 30 2HG MET 30 10.146 -0.036 8.568 183 1HE MET 30 1HE MET 30 11.812 0.376 5.515 184 2HE MET 30 2HE MET 30 12.907 1.256 6.609 185 3HE MET 30 3HE MET 30 12.021 -0.172 7.196 186 H ILE 31 H ILE 31 6.573 2.094 10.841 187 HA ILE 31 HA ILE 31 6.192 4.822 10.682 188 HB ILE 31 HB ILE 31 4.443 3.237 10.274 189 2HG1 ILE 31 2HG1 ILE 31 3.761 5.475 10.933 190 1HG2 ILE 31 1HG2 ILE 31 3.647 1.657 11.717 191 2HG2 ILE 31 2HG2 ILE 31 5.335 1.745 12.275 192 3HG2 ILE 31 3HG2 ILE 31 4.056 2.604 13.167 193 1HD1 ILE 31 1HD1 ILE 31 1.917 3.951 10.536 194 2HD1 ILE 31 2HD1 ILE 31 2.106 3.220 12.148 195 3HD1 ILE 31 3HD1 ILE 31 1.521 4.894 11.993 196 H SER 32 H SER 32 6.318 2.715 13.639 197 HA SER 32 HA SER 32 5.897 4.538 15.525 198 2HB SER 32 2HB SER 32 8.211 2.586 15.781 199 HG SER 32 HG SER 32 6.169 2.693 17.702 200 H GLY 33 H GLY 33 8.849 4.141 13.539 201 1HA GLY 33 1HA GLY 33 10.485 5.914 15.053 202 2HA GLY 33 2HA GLY 33 10.772 5.316 13.432 203 H TRP 34 H TRP 34 8.330 6.230 12.168 204 HA TRP 34 HA TRP 34 9.095 8.800 11.443 205 2HB TRP 34 2HB TRP 34 6.339 7.602 11.159 206 HD1 TRP 34 HD TRP 34 8.942 9.923 9.373 207 HE1 TRP 34 1HE TRP 34 7.704 11.728 7.899 208 HE3 TRP 34 3HE TRP 34 4.241 8.222 10.304 209 HZ2 TRP 34 2HZ TRP 34 4.959 12.230 7.301 210 HZ3 TRP 34 3HZ TRP 34 2.337 9.427 9.236 211 HH2 TRP 34 HH TRP 34 2.639 11.366 7.780 212 H ALA 35 H ALA 35 6.306 7.667 13.495 213 HA ALA 35 HA ALA 35 5.486 10.213 14.259 214 1HB ALA 35 1HB ALA 35 4.149 9.054 15.882 215 2HB ALA 35 2HB ALA 35 4.253 7.996 14.454 216 3HB ALA 35 3HB ALA 35 5.251 7.658 15.888 217 H SER 36 H SER 36 7.974 7.982 15.567 218 HA SER 36 HA SER 36 8.386 9.293 17.952 219 2HB SER 36 2HB SER 36 10.904 8.305 17.130 220 HG SER 36 HG SER 36 10.139 6.364 18.354 221 H GLY 37 H GLY 37 9.569 9.924 14.632 222 1HA GLY 37 1HA GLY 37 11.554 11.832 15.368 223 2HA GLY 37 2HA GLY 37 10.882 11.548 13.775 224 H LEU 38 H LEU 38 8.153 12.054 14.104 225 HA LEU 38 HA LEU 38 8.078 14.828 13.979 226 2HB LEU 38 2HB LEU 38 5.688 14.573 13.847 227 HG LEU 38 HG LEU 38 7.330 12.541 12.395 228 1HD1 LEU 38 1HD1 LEU 38 4.947 12.127 11.194 229 2HD1 LEU 38 2HD1 LEU 38 5.624 11.067 12.454 230 3HD1 LEU 38 3HD1 LEU 38 4.418 12.304 12.884 231 1HD2 LEU 38 1HD2 LEU 38 7.420 14.321 11.054 232 2HD2 LEU 38 2HD2 LEU 38 5.750 13.912 10.598 233 3HD2 LEU 38 3HD2 LEU 38 6.054 15.120 11.869 234 H ALA 39 H ALA 39 7.069 12.562 16.626 235 HA ALA 39 HA ALA 39 6.268 14.591 18.380 236 1HB ALA 39 1HB ALA 39 6.493 11.731 18.315 237 2HB ALA 39 2HB ALA 39 7.247 12.316 19.818 238 3HB ALA 39 3HB ALA 39 5.561 12.745 19.442 239 H GLY 40 H GLY 40 9.422 13.329 17.420 240 1HA GLY 40 1HA GLY 40 10.853 14.248 19.717 241 2HA GLY 40 2HA GLY 40 11.514 13.723 18.182 242 H MET 41 H MET 41 9.549 16.470 19.538 243 HA MET 41 HA MET 41 10.141 18.252 17.542 244 2HB MET 41 2HB MET 41 9.899 19.828 19.833 245 2HG MET 41 2HG MET 41 7.634 18.341 18.413 246 1HE MET 41 1HE MET 41 6.648 22.488 19.215 247 2HE MET 41 2HE MET 41 7.374 21.586 17.864 248 3HE MET 41 3HE MET 41 5.647 21.379 18.248 Start of MODEL 16 1 1H ALA 1 1H ALA 1 -20.180 8.131 14.089 2 HA ALA 1 HA ALA 1 -18.879 7.166 15.616 3 1HB ALA 1 1HB ALA 1 -19.377 9.324 16.946 4 2HB ALA 1 2HB ALA 1 -20.563 8.346 17.843 5 3HB ALA 1 3HB ALA 1 -18.840 7.899 17.868 6 H ARG 2 H ARG 2 -19.073 4.989 15.672 7 HA ARG 2 HA ARG 2 -21.594 3.974 16.722 8 2HB ARG 2 2HB ARG 2 -20.781 1.868 15.257 9 2HG ARG 2 2HG ARG 2 -22.079 4.418 14.204 10 2HD ARG 2 2HD ARG 2 -22.102 1.657 12.899 11 HE ARG 2 HE ARG 2 -23.895 3.712 12.560 12 1HH1 ARG 2 2HH2 ARG 2 -21.384 2.383 10.483 13 2HH1 ARG 2 1HH2 ARG 2 -22.208 2.787 9.013 14 1HH2 ARG 2 2HH1 ARG 2 -24.982 4.245 10.622 15 2HH2 ARG 2 1HH1 ARG 2 -24.269 3.854 9.094 16 H SER 3 H SER 3 -21.379 1.719 17.747 17 HA SER 3 HA SER 3 -18.696 1.346 18.813 18 2HB SER 3 2HB SER 3 -20.088 2.483 20.522 19 HG SER 3 HG SER 3 -22.035 0.893 19.618 20 H TYR 4 H TYR 4 -20.962 0.132 16.822 21 HA TYR 4 HA TYR 4 -21.852 -2.269 17.514 22 2HB TYR 4 2HB TYR 4 -20.694 -2.789 15.043 23 HD1 TYR 4 1HD TYR 4 -22.311 0.432 14.715 24 HD2 TYR 4 2HD TYR 4 -23.027 -3.759 15.192 25 HE1 TYR 4 1HE TYR 4 -24.705 0.743 13.918 26 HE2 TYR 4 2HE TYR 4 -25.418 -3.434 14.394 27 HH TYR 4 HH TYR 4 -26.919 -0.557 14.326 28 H GLY 5 H GLY 5 -18.520 -1.892 16.093 29 1HA GLY 5 1HA GLY 5 -17.595 -4.005 17.916 30 2HA GLY 5 2HA GLY 5 -17.403 -4.225 16.188 31 H ASN 6 H ASN 6 -15.119 -4.207 17.735 32 HA ASN 6 HA ASN 6 -14.018 -1.732 18.208 33 2HB ASN 6 2HB ASN 6 -12.653 -4.357 17.407 34 1HD2 ASN 6 1HD2 ASN 6 -11.097 -3.133 16.232 35 2HD2 ASN 6 2HD2 ASN 6 -9.843 -2.255 17.043 36 H GLY 7 H GLY 7 -14.592 -0.419 16.282 37 1HA GLY 7 1HA GLY 7 -13.391 0.646 14.528 38 2HA GLY 7 2HA GLY 7 -12.773 -0.911 14.013 39 H VAL 8 H VAL 8 -15.462 1.356 13.869 40 HA VAL 8 HA VAL 8 -16.596 -0.242 11.715 41 HB VAL 8 HB VAL 8 -18.063 -1.010 13.270 42 1HG1 VAL 8 1HG1 VAL 8 -18.898 0.908 15.060 43 2HG1 VAL 8 2HG1 VAL 8 -17.631 -0.305 15.363 44 3HG1 VAL 8 3HG1 VAL 8 -17.186 1.331 14.822 45 1HG2 VAL 8 1HG2 VAL 8 -19.486 1.622 12.966 46 2HG2 VAL 8 2HG2 VAL 8 -19.157 0.620 11.532 47 3HG2 VAL 8 3HG2 VAL 8 -20.129 -0.035 12.872 48 H TYR 9 H TYR 9 -17.829 2.632 13.522 49 HA TYR 9 HA TYR 9 -18.605 4.153 11.491 50 2HB TYR 9 2HB TYR 9 -18.802 4.990 13.741 51 HD1 TYR 9 1HD TYR 9 -18.144 3.283 15.382 52 HD2 TYR 9 2HD TYR 9 -15.270 5.983 13.723 53 HE1 TYR 9 1HE TYR 9 -16.496 2.668 17.218 54 HE2 TYR 9 2HE TYR 9 -13.632 5.359 15.563 55 HH TYR 9 HH TYR 9 -14.454 2.857 17.936 56 H CYS 10 H CYS 10 -15.186 3.684 12.515 57 HA CYS 10 HA CYS 10 -14.069 5.675 10.965 58 2HB CYS 10 2HB CYS 10 -12.169 3.684 10.955 59 H ASN 11 H ASN 11 -12.240 4.497 9.186 60 HA ASN 11 HA ASN 11 -14.018 3.865 7.046 61 2HB ASN 11 2HB ASN 11 -11.357 3.574 6.127 62 1HD2 ASN 11 1HD2 ASN 11 -13.387 3.858 4.699 63 2HD2 ASN 11 2HD2 ASN 11 -13.662 5.449 4.070 64 H ASN 12 H ASN 12 -10.731 2.464 7.600 65 HA ASN 12 HA ASN 12 -11.348 0.032 8.549 66 2HB ASN 12 2HB ASN 12 -12.746 -0.675 6.779 67 1HD2 ASN 12 1HD2 ASN 12 -9.960 -0.183 4.706 68 2HD2 ASN 12 2HD2 ASN 12 -10.702 0.872 3.548 69 H LYS 13 H LYS 13 -9.650 1.782 5.881 70 HA LYS 13 HA LYS 13 -7.223 0.258 6.442 71 2HB LYS 13 2HB LYS 13 -7.822 0.295 4.124 72 2HG LYS 13 2HG LYS 13 -8.204 3.249 4.640 73 2HD LYS 13 2HD LYS 13 -6.867 2.056 2.288 74 2HE LYS 13 2HE LYS 13 -9.543 3.403 2.018 75 1HZ LYS 13 1HZ LYS 13 -8.854 4.315 -0.070 76 2HZ LYS 13 2HZ LYS 13 -7.961 4.986 1.122 77 3HZ LYS 13 3HZ LYS 13 -7.309 3.839 0.158 78 H LYS 14 H LYS 14 -8.648 3.549 6.489 79 HA LYS 14 HA LYS 14 -6.226 4.425 7.905 80 2HB LYS 14 2HB LYS 14 -6.546 6.620 7.017 81 2HG LYS 14 2HG LYS 14 -6.487 4.278 5.190 82 2HD LYS 14 2HD LYS 14 -6.648 5.674 3.139 83 2HE LYS 14 2HE LYS 14 -8.912 5.089 4.931 84 1HZ LYS 14 1HZ LYS 14 -9.063 7.328 3.055 85 2HZ LYS 14 2HZ LYS 14 -10.383 6.434 3.414 86 3HZ LYS 14 3HZ LYS 14 -9.607 7.254 4.594 87 H CYS 15 H CYS 15 -7.584 6.939 8.711 88 HA CYS 15 HA CYS 15 -9.071 7.719 10.174 89 2HB CYS 15 2HB CYS 15 -10.159 4.968 10.735 90 H TRP 16 H TRP 16 -6.379 6.088 10.481 91 HA TRP 16 HA TRP 16 -6.226 6.476 13.325 92 2HB TRP 16 2HB TRP 16 -5.625 4.276 13.954 93 HD1 TRP 16 HD TRP 16 -8.229 4.925 14.906 94 HE1 TRP 16 1HE TRP 16 -10.568 3.784 14.466 95 HE3 TRP 16 3HE TRP 16 -6.847 2.530 10.640 96 HZ2 TRP 16 2HZ TRP 16 -11.555 2.047 12.428 97 HZ3 TRP 16 3HZ TRP 16 -8.558 1.131 9.486 98 HH2 TRP 16 HH TRP 16 -10.843 0.870 10.314 99 H VAL 17 H VAL 17 -5.104 7.910 11.205 100 HA VAL 17 HA VAL 17 -3.207 8.429 10.135 101 HB VAL 17 HB VAL 17 -2.916 9.221 12.436 102 1HG1 VAL 17 1HG1 VAL 17 -1.207 7.853 13.840 103 2HG1 VAL 17 2HG1 VAL 17 -2.915 7.348 13.828 104 3HG1 VAL 17 3HG1 VAL 17 -1.723 6.481 12.830 105 1HG2 VAL 17 1HG2 VAL 17 -1.192 10.024 11.143 106 2HG2 VAL 17 2HG2 VAL 17 -0.270 9.109 12.360 107 3HG2 VAL 17 3HG2 VAL 17 -0.575 8.400 10.757 108 H ASN 18 H ASN 18 -3.929 5.952 9.248 109 HA ASN 18 HA ASN 18 -3.214 4.106 8.359 110 2HB ASN 18 2HB ASN 18 -0.337 4.490 8.277 111 1HD2 ASN 18 1HD2 ASN 18 0.111 3.439 6.512 112 2HD2 ASN 18 2HD2 ASN 18 -0.808 3.396 5.044 113 H ARG 19 H ARG 19 -3.611 2.684 10.187 114 HA ARG 19 HA ARG 19 -1.359 2.313 11.967 115 2HB ARG 19 2HB ARG 19 -3.597 2.671 13.001 116 2HG ARG 19 2HG ARG 19 -4.295 0.287 11.262 117 2HD ARG 19 2HD ARG 19 -4.899 -0.423 13.548 118 HE ARG 19 HE ARG 19 -5.445 2.335 13.995 119 1HH1 ARG 19 2HH2 ARG 19 -6.872 -0.801 14.708 120 2HH1 ARG 19 1HH2 ARG 19 -7.652 -0.259 16.156 121 1HH2 ARG 19 2HH1 ARG 19 -6.475 3.051 15.906 122 2HH2 ARG 19 1HH1 ARG 19 -7.424 1.946 16.842 123 H GLY 20 H GLY 20 -2.967 0.948 9.211 124 1HA GLY 20 1HA GLY 20 -2.475 -1.808 9.663 125 2HA GLY 20 2HA GLY 20 -2.827 -1.027 8.136 126 H GLU 21 H GLU 21 -0.927 0.375 7.205 127 HA GLU 21 HA GLU 21 1.142 -1.270 6.636 128 2HB GLU 21 2HB GLU 21 1.228 1.778 6.689 129 2HG GLU 21 2HG GLU 21 2.737 -0.308 5.046 130 HE2 GLU 21 HE2 GLU 21 4.683 2.157 4.273 131 H ALA 22 H ALA 22 0.652 0.760 9.481 132 HA ALA 22 HA ALA 22 3.352 0.909 10.286 133 1HB ALA 22 1HB ALA 22 2.158 1.338 12.564 134 2HB ALA 22 2HB ALA 22 1.897 2.492 11.235 135 3HB ALA 22 3HB ALA 22 0.658 1.271 11.610 136 H THR 23 H THR 23 0.599 -1.276 11.196 137 HA THR 23 HA THR 23 2.304 -2.907 12.819 138 HB THR 23 HB THR 23 -0.192 -2.461 13.160 139 HG1 THR 23 1HG THR 23 0.821 -5.171 12.651 140 1HG2 THR 23 1HG2 THR 23 -1.088 -2.741 10.900 141 2HG2 THR 23 2HG2 THR 23 -0.316 -4.336 10.743 142 3HG2 THR 23 3HG2 THR 23 -1.670 -4.110 11.876 143 H GLN 24 H GLN 24 1.043 -3.009 9.467 144 HA GLN 24 HA GLN 24 1.676 -5.605 8.912 145 2HB GLN 24 2HB GLN 24 1.933 -4.732 6.504 146 2HG GLN 24 2HG GLN 24 -0.538 -3.492 7.688 147 1HE2 GLN 24 1HE2 GLN 24 -2.411 -4.849 6.627 148 2HE2 GLN 24 2HE2 GLN 24 -2.265 -5.091 4.919 149 H SER 25 H SER 25 3.720 -2.659 8.268 150 HA SER 25 HA SER 25 5.952 -4.306 7.677 151 2HB SER 25 2HB SER 25 5.758 -2.201 6.513 152 HG SER 25 HG SER 25 4.559 -0.919 7.954 153 H ILE 26 H ILE 26 7.818 -4.677 8.973 154 HA ILE 26 HA ILE 26 7.361 -4.656 11.761 155 HB ILE 26 HB ILE 26 9.768 -5.281 10.057 156 2HG1 ILE 26 2HG1 ILE 26 7.462 -6.682 10.295 157 1HG2 ILE 26 1HG2 ILE 26 9.509 -5.918 12.997 158 2HG2 ILE 26 2HG2 ILE 26 10.937 -6.063 11.944 159 3HG2 ILE 26 3HG2 ILE 26 10.327 -4.454 12.399 160 1HD1 ILE 26 1HD1 ILE 26 10.320 -7.729 10.080 161 2HD1 ILE 26 2HD1 ILE 26 8.876 -8.708 9.728 162 3HD1 ILE 26 3HD1 ILE 26 9.240 -7.272 8.740 163 H ILE 27 H ILE 27 9.501 -2.739 9.556 164 HA ILE 27 HA ILE 27 10.765 -1.231 11.463 165 HB ILE 27 HB ILE 27 11.090 -1.385 8.928 166 2HG1 ILE 27 2HG1 ILE 27 12.035 0.332 10.840 167 1HG2 ILE 27 1HG2 ILE 27 8.799 -0.653 8.334 168 2HG2 ILE 27 2HG2 ILE 27 9.178 0.965 8.973 169 3HG2 ILE 27 3HG2 ILE 27 10.071 0.329 7.570 170 1HD1 ILE 27 1HD1 ILE 27 12.935 0.857 8.039 171 2HD1 ILE 27 2HD1 ILE 27 13.887 0.408 9.475 172 3HD1 ILE 27 3HD1 ILE 27 12.991 -0.840 8.574 173 H GLY 28 H GLY 28 7.450 -0.962 10.157 174 1HA GLY 28 1HA GLY 28 6.610 1.493 10.791 175 2HA GLY 28 2HA GLY 28 5.658 0.057 11.111 176 H GLY 29 H GLY 29 7.465 -1.099 13.139 177 1HA GLY 29 1HA GLY 29 6.462 0.292 15.422 178 2HA GLY 29 2HA GLY 29 7.507 -1.115 15.399 179 H MET 30 H MET 30 9.749 -0.217 13.960 180 HA MET 30 HA MET 30 11.089 1.177 15.953 181 2HB MET 30 2HB MET 30 12.741 1.448 13.793 182 2HG MET 30 2HG MET 30 13.190 -1.156 14.134 183 1HE MET 30 1HE MET 30 15.827 -0.969 16.810 184 2HE MET 30 2HE MET 30 14.257 -1.744 17.130 185 3HE MET 30 3HE MET 30 15.003 -1.879 15.520 186 H ILE 31 H ILE 31 9.923 2.204 12.672 187 HA ILE 31 HA ILE 31 10.907 4.780 12.740 188 HB ILE 31 HB ILE 31 10.072 3.757 10.742 189 2HG1 ILE 31 2HG1 ILE 31 10.066 6.187 10.812 190 1HG2 ILE 31 1HG2 ILE 31 7.978 2.922 10.390 191 2HG2 ILE 31 2HG2 ILE 31 8.123 2.630 12.139 192 3HG2 ILE 31 3HG2 ILE 31 7.210 4.037 11.544 193 1HD1 ILE 31 1HD1 ILE 31 9.191 5.198 8.756 194 2HD1 ILE 31 2HD1 ILE 31 7.587 4.983 9.500 195 3HD1 ILE 31 3HD1 ILE 31 8.203 6.621 9.167 196 H SER 32 H SER 32 7.640 3.568 13.768 197 HA SER 32 HA SER 32 6.534 5.868 14.538 198 2HB SER 32 2HB SER 32 6.381 3.400 16.307 199 HG SER 32 HG SER 32 4.783 4.624 17.063 200 H GLY 33 H GLY 33 9.097 4.018 16.227 201 1HA GLY 33 1HA GLY 33 9.004 5.525 18.648 202 2HA GLY 33 2HA GLY 33 10.266 4.430 18.116 203 H TRP 34 H TRP 34 10.828 5.723 15.543 204 HA TRP 34 HA TRP 34 12.753 7.548 16.363 205 2HB TRP 34 2HB TRP 34 11.513 7.363 13.616 206 HD1 TRP 34 HD TRP 34 14.904 8.000 15.475 207 HE1 TRP 34 1HE TRP 34 16.426 9.636 14.071 208 HE3 TRP 34 3HE TRP 34 11.713 8.438 11.541 209 HZ2 TRP 34 2HZ TRP 34 16.131 10.902 11.531 210 HZ3 TRP 34 3HZ TRP 34 12.405 9.894 9.640 211 HH2 TRP 34 HH TRP 34 14.530 11.102 9.593 212 H ALA 35 H ALA 35 9.503 8.045 14.807 213 HA ALA 35 HA ALA 35 9.628 10.848 14.930 214 1HB ALA 35 1HB ALA 35 7.323 10.746 14.262 215 2HB ALA 35 2HB ALA 35 8.153 9.388 13.464 216 3HB ALA 35 3HB ALA 35 7.146 9.095 14.903 217 H SER 36 H SER 36 8.506 8.300 17.189 218 HA SER 36 HA SER 36 7.137 9.958 18.913 219 2HB SER 36 2HB SER 36 8.727 7.467 19.663 220 HG SER 36 HG SER 36 6.635 7.281 21.014 221 H GLY 37 H GLY 37 10.619 9.182 18.573 222 1HA GLY 37 1HA GLY 37 11.436 10.361 21.035 223 2HA GLY 37 2HA GLY 37 12.448 9.912 19.677 224 H LEU 38 H LEU 38 11.490 11.437 17.560 225 HA LEU 38 HA LEU 38 12.677 13.894 18.027 226 2HB LEU 38 2HB LEU 38 11.823 14.508 15.846 227 HG LEU 38 HG LEU 38 12.848 11.707 16.146 228 1HD1 LEU 38 1HD1 LEU 38 11.533 11.192 14.338 229 2HD1 LEU 38 2HD1 LEU 38 11.557 12.854 13.700 230 3HD1 LEU 38 3HD1 LEU 38 12.989 11.811 13.524 231 1HD2 LEU 38 1HD2 LEU 38 14.303 13.339 14.309 232 2HD2 LEU 38 2HD2 LEU 38 13.971 14.289 15.777 233 3HD2 LEU 38 3HD2 LEU 38 14.802 12.719 15.900 234 H ALA 39 H ALA 39 9.167 12.994 17.875 235 HA ALA 39 HA ALA 39 8.275 15.602 18.455 236 1HB ALA 39 1HB ALA 39 7.186 13.089 17.750 237 2HB ALA 39 2HB ALA 39 6.450 13.513 19.315 238 3HB ALA 39 3HB ALA 39 6.315 14.630 17.936 239 H GLY 40 H GLY 40 9.587 12.972 20.390 240 1HA GLY 40 1HA GLY 40 8.429 13.752 22.879 241 2HA GLY 40 2HA GLY 40 9.780 12.665 22.620 242 H MET 41 H MET 41 8.975 16.202 22.324 243 HA MET 41 HA MET 41 11.690 16.917 22.666 244 2HB MET 41 2HB MET 41 9.276 18.742 23.079 245 2HG MET 41 2HG MET 41 10.920 20.157 21.517 246 1HE MET 41 1HE MET 41 13.425 19.491 23.600 247 2HE MET 41 2HE MET 41 13.413 20.838 24.763 248 3HE MET 41 3HE MET 41 12.793 19.240 25.245 Start of MODEL 17 1 1H ALA 1 1H ALA 1 -19.286 9.410 9.322 2 HA ALA 1 HA ALA 1 -19.872 11.399 11.154 3 1HB ALA 1 1HB ALA 1 -21.547 8.894 11.392 4 2HB ALA 1 2HB ALA 1 -21.070 9.803 12.847 5 3HB ALA 1 3HB ALA 1 -22.034 10.597 11.579 6 H ARG 2 H ARG 2 -17.804 11.504 11.883 7 HA ARG 2 HA ARG 2 -15.921 10.942 12.779 8 2HB ARG 2 2HB ARG 2 -17.011 8.261 13.707 9 2HG ARG 2 2HG ARG 2 -15.198 10.402 14.909 10 2HD ARG 2 2HD ARG 2 -15.308 7.910 16.404 11 HE ARG 2 HE ARG 2 -14.657 9.746 17.729 12 1HH1 ARG 2 2HH2 ARG 2 -17.792 10.380 16.262 13 2HH1 ARG 2 1HH2 ARG 2 -18.096 11.794 17.215 14 1HH2 ARG 2 2HH1 ARG 2 -15.056 11.611 18.986 15 2HH2 ARG 2 1HH1 ARG 2 -16.529 12.499 18.776 16 H SER 3 H SER 3 -14.029 10.158 11.840 17 HA SER 3 HA SER 3 -14.070 7.566 10.629 18 2HB SER 3 2HB SER 3 -13.458 8.277 8.398 19 HG SER 3 HG SER 3 -15.525 10.165 9.010 20 H TYR 4 H TYR 4 -12.356 10.711 11.134 21 HA TYR 4 HA TYR 4 -10.245 11.198 11.619 22 2HB TYR 4 2HB TYR 4 -9.184 9.191 13.082 23 HD1 TYR 4 1HD TYR 4 -12.749 9.540 13.967 24 HD2 TYR 4 2HD TYR 4 -8.809 11.116 14.512 25 HE1 TYR 4 1HE TYR 4 -13.564 10.913 15.946 26 HE2 TYR 4 2HE TYR 4 -9.637 12.483 16.489 27 HH TYR 4 HH TYR 4 -12.394 11.873 18.072 28 H GLY 5 H GLY 5 -7.831 10.373 11.523 29 1HA GLY 5 1HA GLY 5 -7.074 9.877 8.996 30 2HA GLY 5 2HA GLY 5 -6.156 9.346 10.391 31 H ASN 6 H ASN 6 -6.918 7.189 11.429 32 HA ASN 6 HA ASN 6 -8.364 5.462 9.713 33 2HB ASN 6 2HB ASN 6 -6.494 3.831 9.354 34 1HD2 ASN 6 1HD2 ASN 6 -7.616 4.612 7.433 35 2HD2 ASN 6 2HD2 ASN 6 -6.808 5.690 6.345 36 H GLY 7 H GLY 7 -9.091 3.629 10.952 37 1HA GLY 7 1HA GLY 7 -9.097 2.140 12.703 38 2HA GLY 7 2HA GLY 7 -7.784 3.007 13.474 39 H VAL 8 H VAL 8 -11.214 3.654 12.431 40 HA VAL 8 HA VAL 8 -11.845 4.440 15.136 41 HB VAL 8 HB VAL 8 -11.678 6.355 12.835 42 1HG1 VAL 8 1HG1 VAL 8 -13.744 7.115 13.264 43 2HG1 VAL 8 2HG1 VAL 8 -13.879 6.157 14.757 44 3HG1 VAL 8 3HG1 VAL 8 -13.071 7.741 14.788 45 1HG2 VAL 8 1HG2 VAL 8 -10.917 7.841 14.806 46 2HG2 VAL 8 2HG2 VAL 8 -10.807 6.322 15.727 47 3HG2 VAL 8 3HG2 VAL 8 -9.824 6.547 14.260 48 H TYR 9 H TYR 9 -13.433 5.328 12.026 49 HA TYR 9 HA TYR 9 -15.941 4.662 12.605 50 2HB TYR 9 2HB TYR 9 -15.324 5.561 10.429 51 HD1 TYR 9 1HD TYR 9 -14.560 2.175 9.260 52 HD2 TYR 9 2HD TYR 9 -12.898 5.985 10.270 53 HE1 TYR 9 1HE TYR 9 -12.401 1.556 8.069 54 HE2 TYR 9 2HE TYR 9 -10.744 5.354 9.074 55 HH TYR 9 HH TYR 9 -9.577 3.115 8.535 56 H CYS 10 H CYS 10 -13.413 2.318 11.491 57 HA CYS 10 HA CYS 10 -13.350 0.123 11.493 58 2HB CYS 10 2HB CYS 10 -15.228 -0.392 13.668 59 H ASN 11 H ASN 11 -14.935 -1.998 11.577 60 HA ASN 11 HA ASN 11 -16.881 -1.418 9.588 61 2HB ASN 11 2HB ASN 11 -16.455 -4.093 11.001 62 1HD2 ASN 11 1HD2 ASN 11 -17.152 -5.828 9.835 63 2HD2 ASN 11 2HD2 ASN 11 -18.158 -5.716 8.429 64 H ASN 12 H ASN 12 -16.854 -3.032 12.864 65 HA ASN 12 HA ASN 12 -19.257 -1.733 13.577 66 2HB ASN 12 2HB ASN 12 -20.428 -4.037 14.042 67 1HD2 ASN 12 1HD2 ASN 12 -19.479 -4.358 10.759 68 2HD2 ASN 12 2HD2 ASN 12 -20.799 -3.524 10.008 69 H LYS 13 H LYS 13 -17.902 -5.035 14.311 70 HA LYS 13 HA LYS 13 -17.580 -4.212 17.083 71 2HB LYS 13 2HB LYS 13 -18.822 -6.259 16.667 72 2HG LYS 13 2HG LYS 13 -17.029 -8.196 15.909 73 2HD LYS 13 2HD LYS 13 -19.098 -6.578 14.442 74 2HE LYS 13 2HE LYS 13 -16.935 -7.330 12.960 75 1HZ LYS 13 1HZ LYS 13 -18.069 -9.707 13.706 76 2HZ LYS 13 2HZ LYS 13 -18.525 -9.489 12.153 77 3HZ LYS 13 3HZ LYS 13 -16.941 -9.478 12.547 78 H LYS 14 H LYS 14 -15.748 -5.109 14.166 79 HA LYS 14 HA LYS 14 -13.341 -4.233 15.545 80 2HB LYS 14 2HB LYS 14 -13.257 -6.612 15.889 81 2HG LYS 14 2HG LYS 14 -14.829 -6.986 13.768 82 2HD LYS 14 2HD LYS 14 -12.420 -8.009 12.399 83 2HE LYS 14 2HE LYS 14 -13.589 -6.992 10.430 84 1HZ LYS 14 1HZ LYS 14 -14.804 -8.807 10.481 85 2HZ LYS 14 2HZ LYS 14 -14.572 -8.974 12.089 86 3HZ LYS 14 3HZ LYS 14 -15.861 -8.141 11.533 87 H CYS 15 H CYS 15 -11.468 -4.247 13.721 88 HA CYS 15 HA CYS 15 -12.698 -2.807 11.504 89 2HB CYS 15 2HB CYS 15 -10.245 -2.080 11.151 90 H TRP 16 H TRP 16 -9.402 -4.078 11.328 91 HA TRP 16 HA TRP 16 -9.714 -6.585 10.348 92 2HB TRP 16 2HB TRP 16 -11.126 -6.155 8.607 93 HD1 TRP 16 HD TRP 16 -8.612 -3.249 7.815 94 HE1 TRP 16 1HE TRP 16 -9.919 -1.094 7.035 95 HE3 TRP 16 3HE TRP 16 -13.261 -5.243 8.333 96 HZ2 TRP 16 2HZ TRP 16 -12.689 -0.480 6.728 97 HZ3 TRP 16 3HZ TRP 16 -15.213 -3.798 7.772 98 HH2 TRP 16 HH TRP 16 -14.983 -1.493 6.994 99 H VAL 17 H VAL 17 -7.623 -7.284 10.476 100 HA VAL 17 HA VAL 17 -5.415 -7.201 10.651 101 HB VAL 17 HB VAL 17 -5.883 -7.130 8.165 102 1HG1 VAL 17 1HG1 VAL 17 -5.416 -4.209 8.693 103 2HG1 VAL 17 2HG1 VAL 17 -4.885 -4.917 7.150 104 3HG1 VAL 17 3HG1 VAL 17 -6.599 -4.998 7.623 105 1HG2 VAL 17 1HG2 VAL 17 -3.232 -5.835 8.536 106 2HG2 VAL 17 2HG2 VAL 17 -3.555 -7.277 9.529 107 3HG2 VAL 17 3HG2 VAL 17 -3.662 -7.377 7.755 108 H ASN 18 H ASN 18 -3.373 -5.538 10.563 109 HA ASN 18 HA ASN 18 -3.778 -3.862 12.685 110 2HB ASN 18 2HB ASN 18 -1.543 -2.801 11.864 111 1HD2 ASN 18 1HD2 ASN 18 -0.930 -3.506 13.825 112 2HD2 ASN 18 2HD2 ASN 18 -0.449 -5.127 14.201 113 H ARG 19 H ARG 19 -5.390 -2.242 12.480 114 HA ARG 19 HA ARG 19 -5.423 -0.697 10.059 115 2HB ARG 19 2HB ARG 19 -7.374 0.449 11.556 116 2HG ARG 19 2HG ARG 19 -8.285 -2.227 10.766 117 2HD ARG 19 2HD ARG 19 -9.647 -0.087 10.789 118 HE ARG 19 HE ARG 19 -8.620 1.686 9.675 119 1HH1 ARG 19 2HH2 ARG 19 -8.132 -1.251 7.798 120 2HH1 ARG 19 1HH2 ARG 19 -7.362 -0.434 6.480 121 1HH2 ARG 19 2HH1 ARG 19 -7.604 2.765 7.936 122 2HH2 ARG 19 1HH1 ARG 19 -7.060 1.867 6.559 123 H GLY 20 H GLY 20 -3.303 -0.620 12.389 124 1HA GLY 20 1HA GLY 20 -3.341 2.319 12.685 125 2HA GLY 20 2HA GLY 20 -3.000 1.266 14.043 126 H GLU 21 H GLU 21 -1.236 -0.547 13.467 127 HA GLU 21 HA GLU 21 1.127 0.735 13.159 128 2HB GLU 21 2HB GLU 21 2.118 -1.515 12.840 129 2HG GLU 21 2HG GLU 21 1.261 -2.556 14.848 130 HE2 GLU 21 HE2 GLU 21 0.923 0.593 16.883 131 H ALA 22 H ALA 22 -0.933 -0.826 10.651 132 HA ALA 22 HA ALA 22 0.850 -0.737 8.541 133 1HB ALA 22 1HB ALA 22 -1.563 -1.743 8.823 134 2HB ALA 22 2HB ALA 22 -2.092 -0.167 8.188 135 3HB ALA 22 3HB ALA 22 -1.018 -1.203 7.218 136 H THR 23 H THR 23 -1.522 1.752 9.696 137 HA THR 23 HA THR 23 -0.932 3.641 7.720 138 HB THR 23 HB THR 23 -2.181 3.615 10.482 139 HG1 THR 23 1HG THR 23 -3.820 3.414 9.012 140 1HG2 THR 23 1HG2 THR 23 -1.155 5.826 10.501 141 2HG2 THR 23 2HG2 THR 23 -1.524 6.068 8.776 142 3HG2 THR 23 3HG2 THR 23 -2.841 6.046 9.972 143 H GLN 24 H GLN 24 0.613 2.943 10.883 144 HA GLN 24 HA GLN 24 2.197 5.227 10.875 145 2HB GLN 24 2HB GLN 24 3.523 4.041 12.601 146 2HG GLN 24 2HG GLN 24 1.554 3.294 14.076 147 1HE2 GLN 24 1HE2 GLN 24 -0.061 5.640 12.183 148 2HE2 GLN 24 2HE2 GLN 24 0.418 7.068 13.038 149 H SER 25 H SER 25 3.414 1.827 10.456 150 HA SER 25 HA SER 25 4.737 2.574 8.048 151 2HB SER 25 2HB SER 25 6.343 1.985 10.571 152 HG SER 25 HG SER 25 7.608 0.988 9.101 153 H ILE 26 H ILE 26 6.225 0.559 7.351 154 HA ILE 26 HA ILE 26 4.566 -1.642 7.190 155 HB ILE 26 HB ILE 26 6.789 -2.792 6.528 156 2HG1 ILE 26 2HG1 ILE 26 7.849 -0.461 7.670 157 1HG2 ILE 26 1HG2 ILE 26 4.931 -1.724 5.082 158 2HG2 ILE 26 2HG2 ILE 26 6.082 -0.381 4.871 159 3HG2 ILE 26 3HG2 ILE 26 6.525 -2.024 4.349 160 1HD1 ILE 26 1HD1 ILE 26 9.933 -1.472 7.164 161 2HD1 ILE 26 2HD1 ILE 26 8.810 -2.852 7.246 162 3HD1 ILE 26 3HD1 ILE 26 9.313 -2.205 5.665 163 H ILE 27 H ILE 27 7.260 -0.895 9.466 164 HA ILE 27 HA ILE 27 6.901 -3.431 10.789 165 HB ILE 27 HB ILE 27 8.564 -1.198 11.869 166 2HG1 ILE 27 2HG1 ILE 27 8.850 -2.390 9.189 167 1HG2 ILE 27 1HG2 ILE 27 9.850 -2.872 12.803 168 2HG2 ILE 27 2HG2 ILE 27 8.220 -3.584 12.862 169 3HG2 ILE 27 3HG2 ILE 27 9.361 -4.078 11.590 170 1HD1 ILE 27 1HD1 ILE 27 8.933 0.140 10.334 171 2HD1 ILE 27 2HD1 ILE 27 10.657 -0.234 10.099 172 3HD1 ILE 27 3HD1 ILE 27 9.542 -0.271 8.713 173 H GLY 28 H GLY 28 6.016 0.011 11.205 174 1HA GLY 28 1HA GLY 28 4.296 0.858 12.428 175 2HA GLY 28 2HA GLY 28 3.947 -0.737 13.065 176 H GLY 29 H GLY 29 6.299 -1.542 14.291 177 1HA GLY 29 1HA GLY 29 6.270 0.041 16.672 178 2HA GLY 29 2HA GLY 29 7.231 -1.388 16.346 179 H MET 30 H MET 30 8.614 -0.559 13.976 180 HA MET 30 HA MET 30 10.751 0.738 15.087 181 2HB MET 30 2HB MET 30 11.304 1.156 12.539 182 2HG MET 30 2HG MET 30 11.176 -1.511 12.179 183 1HE MET 30 1HE MET 30 13.456 -2.938 14.130 184 2HE MET 30 2HE MET 30 13.072 -2.823 12.397 185 3HE MET 30 3HE MET 30 14.678 -2.334 12.988 186 H ILE 31 H ILE 31 8.202 2.070 12.862 187 HA ILE 31 HA ILE 31 9.179 4.647 12.744 188 HB ILE 31 HB ILE 31 7.494 3.800 11.255 189 2HG1 ILE 31 2HG1 ILE 31 7.619 6.209 11.524 190 1HG2 ILE 31 1HG2 ILE 31 5.241 3.309 11.891 191 2HG2 ILE 31 2HG2 ILE 31 6.327 2.373 12.945 192 3HG2 ILE 31 3HG2 ILE 31 5.536 3.842 13.564 193 1HD1 ILE 31 1HD1 ILE 31 5.269 6.804 10.918 194 2HD1 ILE 31 2HD1 ILE 31 5.834 5.358 10.048 195 3HD1 ILE 31 3HD1 ILE 31 4.742 5.187 11.444 196 H SER 32 H SER 32 6.701 3.258 15.008 197 HA SER 32 HA SER 32 6.117 5.425 16.433 198 2HB SER 32 2HB SER 32 5.947 3.815 18.443 199 HG SER 32 HG SER 32 4.262 4.115 16.712 200 H GLY 33 H GLY 33 9.162 3.561 16.496 201 1HA GLY 33 1HA GLY 33 10.218 4.755 18.860 202 2HA GLY 33 2HA GLY 33 11.085 3.831 17.649 203 H TRP 34 H TRP 34 10.445 5.416 15.311 204 HA TRP 34 HA TRP 34 12.472 7.309 15.440 205 2HB TRP 34 2HB TRP 34 10.165 7.255 13.491 206 HD1 TRP 34 HD TRP 34 13.983 8.090 13.782 207 HE1 TRP 34 1HE TRP 34 14.639 9.991 12.072 208 HE3 TRP 34 3HE TRP 34 9.375 8.512 11.674 209 HZ2 TRP 34 2HZ TRP 34 13.190 11.424 10.075 210 HZ3 TRP 34 3HZ TRP 34 9.080 10.187 9.851 211 HH2 TRP 34 HH TRP 34 10.895 11.613 9.047 212 H ALA 35 H ALA 35 8.854 7.689 15.472 213 HA ALA 35 HA ALA 35 8.896 10.458 15.847 214 1HB ALA 35 1HB ALA 35 6.973 9.027 15.062 215 2HB ALA 35 2HB ALA 35 6.772 8.470 16.740 216 3HB ALA 35 3HB ALA 35 6.543 10.190 16.340 217 H SER 36 H SER 36 9.056 7.674 18.101 218 HA SER 36 HA SER 36 8.544 9.055 20.418 219 2HB SER 36 2HB SER 36 10.544 7.049 20.936 220 HG SER 36 HG SER 36 8.961 6.352 22.206 221 H GLY 37 H GLY 37 11.528 8.703 18.463 222 1HA GLY 37 1HA GLY 37 13.279 9.855 20.406 223 2HA GLY 37 2HA GLY 37 13.606 9.559 18.710 224 H LEU 38 H LEU 38 11.698 11.053 17.355 225 HA LEU 38 HA LEU 38 12.776 13.595 17.424 226 2HB LEU 38 2HB LEU 38 10.989 14.200 15.917 227 HG LEU 38 HG LEU 38 12.232 11.508 15.531 228 1HD1 LEU 38 1HD1 LEU 38 10.484 10.736 14.375 229 2HD1 LEU 38 2HD1 LEU 38 9.700 12.333 14.310 230 3HD1 LEU 38 3HD1 LEU 38 10.959 11.912 13.125 231 1HD2 LEU 38 1HD2 LEU 38 13.705 12.688 14.368 232 2HD2 LEU 38 2HD2 LEU 38 12.423 13.326 13.311 233 3HD2 LEU 38 3HD2 LEU 38 12.834 14.171 14.823 234 H ALA 39 H ALA 39 9.672 12.362 18.831 235 HA ALA 39 HA ALA 39 8.941 14.841 19.934 236 1HB ALA 39 1HB ALA 39 7.067 13.679 20.398 237 2HB ALA 39 2HB ALA 39 7.848 12.274 19.633 238 3HB ALA 39 3HB ALA 39 7.963 12.507 21.394 239 H GLY 40 H GLY 40 11.231 12.335 20.871 240 1HA GLY 40 1HA GLY 40 11.327 13.003 23.652 241 2HA GLY 40 2HA GLY 40 12.453 12.012 22.748 242 H MET 41 H MET 41 11.398 15.493 22.911 243 HA MET 41 HA MET 41 12.516 17.357 22.859 244 2HB MET 41 2HB MET 41 15.136 16.837 23.728 245 2HG MET 41 2HG MET 41 12.939 16.815 25.789 246 1HE MET 41 1HE MET 41 13.155 19.412 26.846 247 2HE MET 41 2HE MET 41 13.768 18.357 28.141 248 3HE MET 41 3HE MET 41 14.678 19.814 27.674 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -22.259 4.297 18.584 2 HA ALA 1 HA ALA 1 -22.522 2.038 18.156 3 1HB ALA 1 1HB ALA 1 -23.336 2.218 15.544 4 2HB ALA 1 2HB ALA 1 -24.306 2.749 16.939 5 3HB ALA 1 3HB ALA 1 -23.339 3.931 16.026 6 H ARG 2 H ARG 2 -20.815 3.492 15.286 7 HA ARG 2 HA ARG 2 -19.850 1.186 14.280 8 2HB ARG 2 2HB ARG 2 -17.937 3.491 14.244 9 2HG ARG 2 2HG ARG 2 -19.129 1.492 12.371 10 2HD ARG 2 2HD ARG 2 -18.391 4.331 11.522 11 HE ARG 2 HE ARG 2 -17.613 2.120 10.103 12 1HH1 ARG 2 2HH2 ARG 2 -20.165 4.482 9.563 13 2HH1 ARG 2 1HH2 ARG 2 -20.119 4.328 7.839 14 1HH2 ARG 2 2HH1 ARG 2 -17.552 1.916 7.827 15 2HH2 ARG 2 1HH1 ARG 2 -18.623 2.859 6.845 16 H SER 3 H SER 3 -17.954 -0.104 14.587 17 HA SER 3 HA SER 3 -15.883 0.649 16.271 18 2HB SER 3 2HB SER 3 -17.731 -1.418 17.534 19 HG SER 3 HG SER 3 -15.256 -1.128 18.003 20 H TYR 4 H TYR 4 -17.924 -2.009 14.949 21 HA TYR 4 HA TYR 4 -17.422 -3.922 13.943 22 2HB TYR 4 2HB TYR 4 -15.076 -3.717 12.675 23 HD1 TYR 4 1HD TYR 4 -16.387 -4.202 10.746 24 HD2 TYR 4 2HD TYR 4 -16.845 -0.447 12.744 25 HE1 TYR 4 1HE TYR 4 -17.783 -3.333 8.807 26 HE2 TYR 4 2HE TYR 4 -18.239 0.410 10.799 27 HH TYR 4 HH TYR 4 -19.752 -0.825 8.988 28 H GLY 5 H GLY 5 -13.957 -3.226 14.547 29 1HA GLY 5 1HA GLY 5 -13.938 -5.291 16.649 30 2HA GLY 5 2HA GLY 5 -12.888 -5.441 15.255 31 H ASN 6 H ASN 6 -11.506 -3.381 14.743 32 HA ASN 6 HA ASN 6 -10.920 -1.876 17.124 33 2HB ASN 6 2HB ASN 6 -8.486 -2.954 15.752 34 1HD2 ASN 6 1HD2 ASN 6 -7.261 -1.517 16.799 35 2HD2 ASN 6 2HD2 ASN 6 -7.110 -1.379 18.519 36 H GLY 7 H GLY 7 -11.314 0.129 16.104 37 1HA GLY 7 1HA GLY 7 -10.849 1.920 14.814 38 2HA GLY 7 2HA GLY 7 -9.433 1.090 14.197 39 H VAL 8 H VAL 8 -12.272 2.482 13.235 40 HA VAL 8 HA VAL 8 -12.198 1.113 10.717 41 HB VAL 8 HB VAL 8 -14.424 0.724 12.678 42 1HG1 VAL 8 1HG1 VAL 8 -15.555 -0.105 10.316 43 2HG1 VAL 8 2HG1 VAL 8 -15.936 1.414 11.161 44 3HG1 VAL 8 3HG1 VAL 8 -14.750 1.407 9.833 45 1HG2 VAL 8 1HG2 VAL 8 -12.713 -0.954 10.894 46 2HG2 VAL 8 2HG2 VAL 8 -13.239 -1.231 12.572 47 3HG2 VAL 8 3HG2 VAL 8 -14.369 -1.514 11.225 48 H TYR 9 H TYR 9 -14.547 3.105 12.657 49 HA TYR 9 HA TYR 9 -15.324 4.759 10.619 50 2HB TYR 9 2HB TYR 9 -16.451 4.826 12.757 51 HD1 TYR 9 1HD TYR 9 -15.858 3.147 14.376 52 HD2 TYR 9 2HD TYR 9 -13.528 6.718 14.021 53 HE1 TYR 9 1HE TYR 9 -14.681 2.605 16.564 54 HE2 TYR 9 2HE TYR 9 -12.359 6.164 16.209 55 HH TYR 9 HH TYR 9 -11.860 4.066 17.501 56 H CYS 10 H CYS 10 -12.224 4.615 12.235 57 HA CYS 10 HA CYS 10 -10.351 5.701 11.847 58 2HB CYS 10 2HB CYS 10 -11.055 7.759 9.982 59 H ASN 11 H ASN 11 -9.332 7.569 12.796 60 HA ASN 11 HA ASN 11 -10.946 8.934 14.603 61 2HB ASN 11 2HB ASN 11 -8.070 9.264 13.650 62 1HD2 ASN 11 1HD2 ASN 11 -10.053 10.188 16.459 63 2HD2 ASN 11 2HD2 ASN 11 -9.481 11.816 16.607 64 H ASN 12 H ASN 12 -8.642 10.602 12.362 65 HA ASN 12 HA ASN 12 -10.461 11.816 10.731 66 2HB ASN 12 2HB ASN 12 -11.484 13.137 12.393 67 1HD2 ASN 12 1HD2 ASN 12 -8.244 14.335 13.045 68 2HD2 ASN 12 2HD2 ASN 12 -8.204 14.006 14.744 69 H LYS 13 H LYS 13 -7.597 12.492 12.866 70 HA LYS 13 HA LYS 13 -6.224 13.684 10.580 71 2HB LYS 13 2HB LYS 13 -5.802 13.790 13.566 72 2HG LYS 13 2HG LYS 13 -3.928 15.454 12.180 73 2HD LYS 13 2HD LYS 13 -3.830 14.305 14.507 74 2HE LYS 13 2HE LYS 13 -3.091 12.035 12.642 75 1HZ LYS 13 1HZ LYS 13 -2.192 12.271 15.426 76 2HZ LYS 13 2HZ LYS 13 -1.882 11.047 14.391 77 3HZ LYS 13 3HZ LYS 13 -1.214 12.517 14.142 78 H LYS 14 H LYS 14 -5.833 11.151 13.142 79 HA LYS 14 HA LYS 14 -3.468 10.137 11.921 80 2HB LYS 14 2HB LYS 14 -3.799 9.983 14.321 81 2HG LYS 14 2HG LYS 14 -6.150 8.166 13.607 82 2HD LYS 14 2HD LYS 14 -4.431 7.957 15.802 83 2HE LYS 14 2HE LYS 14 -6.156 10.177 16.318 84 1HZ LYS 14 1HZ LYS 14 -6.776 8.326 18.379 85 2HZ LYS 14 2HZ LYS 14 -7.745 9.402 17.624 86 3HZ LYS 14 3HZ LYS 14 -7.486 7.931 16.962 87 H CYS 15 H CYS 15 -6.940 9.124 12.078 88 HA CYS 15 HA CYS 15 -8.021 7.526 10.988 89 2HB CYS 15 2HB CYS 15 -6.558 8.433 8.521 90 H TRP 16 H TRP 16 -6.915 5.708 12.042 91 HA TRP 16 HA TRP 16 -4.535 4.605 11.439 92 2HB TRP 16 2HB TRP 16 -5.504 3.474 13.119 93 HD1 TRP 16 HD TRP 16 -8.528 2.436 10.929 94 HE1 TRP 16 1HE TRP 16 -10.805 3.083 12.095 95 HE3 TRP 16 3HE TRP 16 -6.430 5.009 14.779 96 HZ2 TRP 16 2HZ TRP 16 -11.458 4.565 14.445 97 HZ3 TRP 16 3HZ TRP 16 -7.957 6.025 16.467 98 HH2 TRP 16 HH TRP 16 -10.391 5.836 16.344 99 H VAL 17 H VAL 17 -7.692 3.796 9.807 100 HA VAL 17 HA VAL 17 -8.151 3.081 7.768 101 HB VAL 17 HB VAL 17 -5.558 4.511 7.300 102 1HG1 VAL 17 1HG1 VAL 17 -5.269 2.915 5.634 103 2HG1 VAL 17 2HG1 VAL 17 -7.018 2.737 5.353 104 3HG1 VAL 17 3HG1 VAL 17 -6.169 4.192 4.782 105 1HG2 VAL 17 1HG2 VAL 17 -7.571 5.526 5.656 106 2HG2 VAL 17 2HG2 VAL 17 -8.410 5.105 7.168 107 3HG2 VAL 17 3HG2 VAL 17 -7.013 6.208 7.203 108 H ASN 18 H ASN 18 -4.591 2.528 7.521 109 HA ASN 18 HA ASN 18 -5.155 -0.308 7.813 110 2HB ASN 18 2HB ASN 18 -2.998 0.128 5.900 111 1HD2 ASN 18 1HD2 ASN 18 -6.080 0.009 4.487 112 2HD2 ASN 18 2HD2 ASN 18 -6.257 -1.705 4.314 113 H ARG 19 H ARG 19 -4.147 -0.220 9.937 114 HA ARG 19 HA ARG 19 -1.374 0.648 9.899 115 2HB ARG 19 2HB ARG 19 -2.594 1.844 11.597 116 2HG ARG 19 2HG ARG 19 -3.792 -0.879 12.216 117 2HD ARG 19 2HD ARG 19 -4.876 0.304 14.207 118 HE ARG 19 HE ARG 19 -1.990 0.187 14.800 119 1HH1 ARG 19 2HH2 ARG 19 -4.958 -1.641 14.311 120 2HH1 ARG 19 1HH2 ARG 19 -4.385 -3.041 15.155 121 1HH2 ARG 19 2HH1 ARG 19 -1.235 -1.660 15.913 122 2HH2 ARG 19 1HH1 ARG 19 -2.253 -3.052 16.073 123 H GLY 20 H GLY 20 -3.510 -2.086 10.066 124 1HA GLY 20 1HA GLY 20 -2.249 -3.895 11.704 125 2HA GLY 20 2HA GLY 20 -3.120 -4.293 10.236 126 H GLU 21 H GLU 21 -1.640 -3.341 8.155 127 HA GLU 21 HA GLU 21 0.359 -5.192 7.927 128 2HB GLU 21 2HB GLU 21 -0.664 -4.194 5.969 129 2HG GLU 21 2HG GLU 21 -0.616 -1.813 7.316 130 HE2 GLU 21 HE2 GLU 21 1.537 0.460 5.782 131 H ALA 22 H ALA 22 0.449 -1.803 9.084 132 HA ALA 22 HA ALA 22 3.226 -1.484 9.037 133 1HB ALA 22 1HB ALA 22 1.340 -0.235 11.055 134 2HB ALA 22 2HB ALA 22 2.804 0.463 10.321 135 3HB ALA 22 3HB ALA 22 1.334 0.245 9.342 136 H THR 23 H THR 23 0.961 -2.584 11.652 137 HA THR 23 HA THR 23 2.919 -2.986 13.594 138 HB THR 23 HB THR 23 0.103 -3.938 13.031 139 HG1 THR 23 1HG THR 23 1.572 -2.676 15.238 140 1HG2 THR 23 1HG2 THR 23 0.034 -5.276 15.028 141 2HG2 THR 23 2HG2 THR 23 1.468 -5.861 14.152 142 3HG2 THR 23 3HG2 THR 23 1.659 -4.748 15.527 143 H GLN 24 H GLN 24 1.317 -5.562 11.597 144 HA GLN 24 HA GLN 24 2.983 -7.559 12.348 145 2HB GLN 24 2HB GLN 24 1.036 -8.115 11.096 146 2HG GLN 24 2HG GLN 24 1.567 -5.771 9.659 147 1HE2 GLN 24 1HE2 GLN 24 0.146 -7.030 7.217 148 2HE2 GLN 24 2HE2 GLN 24 1.434 -7.433 6.131 149 H SER 25 H SER 25 3.581 -4.881 10.110 150 HA SER 25 HA SER 25 5.816 -6.110 8.889 151 2HB SER 25 2HB SER 25 6.239 -3.633 8.165 152 HG SER 25 HG SER 25 3.986 -3.773 6.960 153 H ILE 26 H ILE 26 8.006 -5.963 9.452 154 HA ILE 26 HA ILE 26 8.714 -5.548 12.058 155 HB ILE 26 HB ILE 26 10.990 -5.593 11.297 156 2HG1 ILE 26 2HG1 ILE 26 11.698 -5.289 9.055 157 1HG2 ILE 26 1HG2 ILE 26 10.521 -7.512 9.410 158 2HG2 ILE 26 2HG2 ILE 26 10.444 -7.762 11.171 159 3HG2 ILE 26 3HG2 ILE 26 8.953 -7.441 10.251 160 1HD1 ILE 26 1HD1 ILE 26 9.466 -6.386 8.156 161 2HD1 ILE 26 2HD1 ILE 26 8.878 -4.706 8.123 162 3HD1 ILE 26 3HD1 ILE 26 10.306 -5.169 7.166 163 H ILE 27 H ILE 27 8.615 -3.206 9.330 164 HA ILE 27 HA ILE 27 9.918 -1.113 10.568 165 HB ILE 27 HB ILE 27 8.333 0.265 9.042 166 2HG1 ILE 27 2HG1 ILE 27 6.773 -1.863 8.949 167 1HG2 ILE 27 1HG2 ILE 27 10.533 0.075 8.348 168 2HG2 ILE 27 2HG2 ILE 27 10.455 -1.699 8.220 169 3HG2 ILE 27 3HG2 ILE 27 9.642 -0.682 7.006 170 1HD1 ILE 27 1HD1 ILE 27 7.027 -0.828 6.208 171 2HD1 ILE 27 2HD1 ILE 27 5.686 -0.650 7.364 172 3HD1 ILE 27 3HD1 ILE 27 7.068 0.471 7.424 173 H GLY 28 H GLY 28 6.720 -2.500 11.131 174 1HA GLY 28 1HA GLY 28 5.193 -0.586 12.190 175 2HA GLY 28 2HA GLY 28 5.362 -2.168 12.924 176 H GLY 29 H GLY 29 8.211 -1.893 13.653 177 1HA GLY 29 1HA GLY 29 7.863 -0.566 16.158 178 2HA GLY 29 2HA GLY 29 9.310 -1.345 15.550 179 H MET 30 H MET 30 10.003 -0.002 13.265 180 HA MET 30 HA MET 30 11.191 2.266 14.241 181 2HB MET 30 2HB MET 30 11.220 2.726 11.550 182 2HG MET 30 2HG MET 30 13.014 1.673 13.282 183 1HE MET 30 1HE MET 30 14.967 -0.009 12.666 184 2HE MET 30 2HE MET 30 14.222 -0.726 14.117 185 3HE MET 30 3HE MET 30 14.636 -1.757 12.725 186 H ILE 31 H ILE 31 8.264 1.946 12.116 187 HA ILE 31 HA ILE 31 7.782 4.642 11.783 188 HB ILE 31 HB ILE 31 6.703 2.954 10.469 189 2HG1 ILE 31 2HG1 ILE 31 5.566 5.094 10.649 190 1HG2 ILE 31 1HG2 ILE 31 6.481 1.426 12.621 191 2HG2 ILE 31 2HG2 ILE 31 4.849 2.135 12.660 192 3HG2 ILE 31 3HG2 ILE 31 5.397 1.242 11.222 193 1HD1 ILE 31 1HD1 ILE 31 3.174 4.282 10.298 194 2HD1 ILE 31 2HD1 ILE 31 4.394 3.470 9.288 195 3HD1 ILE 31 3HD1 ILE 31 3.743 2.651 10.728 196 H SER 32 H SER 32 6.453 2.390 14.306 197 HA SER 32 HA SER 32 4.893 4.065 15.652 198 2HB SER 32 2HB SER 32 5.788 2.796 17.773 199 HG SER 32 HG SER 32 4.732 1.462 15.432 200 H GLY 33 H GLY 33 8.473 4.016 15.623 201 1HA GLY 33 1HA GLY 33 8.831 5.818 17.799 202 2HA GLY 33 2HA GLY 33 10.015 5.347 16.596 203 H TRP 34 H TRP 34 8.603 6.144 14.204 204 HA TRP 34 HA TRP 34 9.366 8.810 14.052 205 2HB TRP 34 2HB TRP 34 7.371 7.412 12.268 206 HD1 TRP 34 HD TRP 34 10.247 10.070 12.283 207 HE1 TRP 34 1HE TRP 34 9.862 11.852 10.376 208 HE3 TRP 34 3HE TRP 34 6.079 7.884 10.359 209 HZ2 TRP 34 2HZ TRP 34 7.901 12.142 8.323 210 HZ3 TRP 34 3HZ TRP 34 4.991 8.981 8.404 211 HH2 TRP 34 HH TRP 34 5.836 11.037 7.388 212 H ALA 35 H ALA 35 6.031 7.343 14.128 213 HA ALA 35 HA ALA 35 4.671 9.748 14.348 214 1HB ALA 35 1HB ALA 35 2.788 8.376 14.963 215 2HB ALA 35 2HB ALA 35 3.760 7.449 13.794 216 3HB ALA 35 3HB ALA 35 3.853 7.068 15.531 217 H SER 36 H SER 36 6.217 7.643 16.811 218 HA SER 36 HA SER 36 5.101 8.974 18.996 219 2HB SER 36 2HB SER 36 7.411 7.942 20.017 220 HG SER 36 HG SER 36 6.202 5.878 20.152 221 H GLY 37 H GLY 37 7.963 9.515 16.932 222 1HA GLY 37 1HA GLY 37 9.298 11.349 18.634 223 2HA GLY 37 2HA GLY 37 9.544 11.120 16.915 224 H LEU 38 H LEU 38 7.264 11.826 15.648 225 HA LEU 38 HA LEU 38 7.284 14.588 15.735 226 2HB LEU 38 2HB LEU 38 6.631 13.434 13.772 227 HG LEU 38 HG LEU 38 5.366 11.538 15.113 228 1HD1 LEU 38 1HD1 LEU 38 3.280 11.914 15.784 229 2HD1 LEU 38 2HD1 LEU 38 3.576 13.644 15.486 230 3HD1 LEU 38 3HD1 LEU 38 2.831 12.637 14.220 231 1HD2 LEU 38 1HD2 LEU 38 5.170 12.535 12.347 232 2HD2 LEU 38 2HD2 LEU 38 5.555 10.912 12.967 233 3HD2 LEU 38 3HD2 LEU 38 3.859 11.437 12.843 234 H ALA 39 H ALA 39 4.908 12.240 17.145 235 HA ALA 39 HA ALA 39 3.321 14.274 18.297 236 1HB ALA 39 1HB ALA 39 3.026 11.614 17.773 237 2HB ALA 39 2HB ALA 39 3.344 11.566 19.524 238 3HB ALA 39 3HB ALA 39 1.984 12.525 18.891 239 H GLY 40 H GLY 40 6.285 12.571 19.227 240 1HA GLY 40 1HA GLY 40 6.122 13.230 22.014 241 2HA GLY 40 2HA GLY 40 7.497 12.580 21.143 242 H MET 41 H MET 41 5.538 15.637 21.369 243 HA MET 41 HA MET 41 7.268 17.339 20.222 244 2HB MET 41 2HB MET 41 5.969 18.181 22.825 245 2HG MET 41 2HG MET 41 6.662 19.363 20.227 246 1HE MET 41 1HE MET 41 5.668 21.295 19.096 247 2HE MET 41 2HE MET 41 3.931 21.628 18.903 248 3HE MET 41 3HE MET 41 4.783 22.171 20.367 Start of MODEL 19 1 1H ALA 1 1H ALA 1 -18.960 -0.489 15.240 2 HA ALA 1 HA ALA 1 -20.524 -2.891 14.581 3 1HB ALA 1 1HB ALA 1 -20.302 -0.212 13.156 4 2HB ALA 1 2HB ALA 1 -21.049 -1.659 12.439 5 3HB ALA 1 3HB ALA 1 -21.753 -0.927 13.900 6 H ARG 2 H ARG 2 -18.065 -0.610 13.161 7 HA ARG 2 HA ARG 2 -16.970 -2.749 11.663 8 2HB ARG 2 2HB ARG 2 -15.117 -0.777 11.374 9 2HG ARG 2 2HG ARG 2 -16.740 -1.709 9.635 10 2HD ARG 2 2HD ARG 2 -18.655 0.159 9.297 11 HE ARG 2 HE ARG 2 -18.692 -2.416 10.730 12 1HH1 ARG 2 2HH2 ARG 2 -20.603 0.218 9.391 13 2HH1 ARG 2 1HH2 ARG 2 -22.055 -0.720 9.283 14 1HH2 ARG 2 2HH1 ARG 2 -20.609 -3.654 10.589 15 2HH2 ARG 2 1HH1 ARG 2 -22.058 -2.937 9.969 16 H SER 3 H SER 3 -14.655 -3.455 11.823 17 HA SER 3 HA SER 3 -12.921 -2.736 13.757 18 2HB SER 3 2HB SER 3 -13.360 -4.952 15.255 19 HG SER 3 HG SER 3 -14.180 -2.254 15.485 20 H TYR 4 H TYR 4 -12.852 -3.575 11.082 21 HA TYR 4 HA TYR 4 -12.153 -6.346 10.924 22 2HB TYR 4 2HB TYR 4 -11.395 -5.407 8.584 23 HD1 TYR 4 1HD TYR 4 -14.310 -3.344 9.478 24 HD2 TYR 4 2HD TYR 4 -13.009 -7.141 7.997 25 HE1 TYR 4 1HE TYR 4 -16.675 -3.858 8.698 26 HE2 TYR 4 2HE TYR 4 -15.378 -7.642 7.222 27 HH TYR 4 HH TYR 4 -18.038 -5.690 8.180 28 H GLY 5 H GLY 5 -10.368 -6.901 12.167 29 1HA GLY 5 1HA GLY 5 -8.251 -6.811 12.978 30 2HA GLY 5 2HA GLY 5 -7.849 -6.701 11.276 31 H ASN 6 H ASN 6 -9.532 -4.272 13.372 32 HA ASN 6 HA ASN 6 -9.154 -2.147 13.662 33 2HB ASN 6 2HB ASN 6 -7.003 -1.560 14.684 34 1HD2 ASN 6 1HD2 ASN 6 -6.287 -2.323 16.685 35 2HD2 ASN 6 2HD2 ASN 6 -7.038 -3.655 17.499 36 H GLY 7 H GLY 7 -9.584 -1.219 11.572 37 1HA GLY 7 1HA GLY 7 -7.910 0.372 10.291 38 2HA GLY 7 2HA GLY 7 -7.435 -1.165 9.596 39 H VAL 8 H VAL 8 -10.523 0.568 10.453 40 HA VAL 8 HA VAL 8 -11.385 0.540 7.750 41 HB VAL 8 HB VAL 8 -12.255 -1.615 9.605 42 1HG1 VAL 8 1HG1 VAL 8 -14.406 -1.767 8.150 43 2HG1 VAL 8 2HG1 VAL 8 -14.366 -0.626 9.516 44 3HG1 VAL 8 3HG1 VAL 8 -14.131 -0.033 7.853 45 1HG2 VAL 8 1HG2 VAL 8 -12.692 -2.567 7.142 46 2HG2 VAL 8 2HG2 VAL 8 -11.536 -1.279 6.728 47 3HG2 VAL 8 3HG2 VAL 8 -11.076 -2.550 7.887 48 H TYR 9 H TYR 9 -12.234 0.710 11.253 49 HA TYR 9 HA TYR 9 -14.276 2.684 10.685 50 2HB TYR 9 2HB TYR 9 -14.642 0.973 12.431 51 HD1 TYR 9 1HD TYR 9 -12.987 -0.801 12.613 52 HD2 TYR 9 2HD TYR 9 -12.351 2.984 14.504 53 HE1 TYR 9 1HE TYR 9 -11.096 -1.798 13.989 54 HE2 TYR 9 2HE TYR 9 -10.463 1.973 15.875 55 HH TYR 9 HH TYR 9 -10.018 -1.311 16.183 56 H CYS 10 H CYS 10 -11.670 3.509 9.831 57 HA CYS 10 HA CYS 10 -10.242 4.924 11.708 58 2HB CYS 10 2HB CYS 10 -10.175 6.375 9.268 59 H ASN 11 H ASN 11 -10.186 7.635 10.849 60 HA ASN 11 HA ASN 11 -12.867 8.615 10.957 61 2HB ASN 11 2HB ASN 11 -10.907 8.919 13.272 62 1HD2 ASN 11 1HD2 ASN 11 -11.297 10.494 14.829 63 2HD2 ASN 11 2HD2 ASN 11 -12.094 11.990 14.474 64 H ASN 12 H ASN 12 -9.544 9.779 11.928 65 HA ASN 12 HA ASN 12 -9.827 11.831 9.884 66 2HB ASN 12 2HB ASN 12 -8.446 13.239 11.223 67 1HD2 ASN 12 1HD2 ASN 12 -8.333 11.568 14.048 68 2HD2 ASN 12 2HD2 ASN 12 -9.850 12.004 14.761 69 H LYS 13 H LYS 13 -6.880 12.457 10.111 70 HA LYS 13 HA LYS 13 -5.875 11.026 8.040 71 2HB LYS 13 2HB LYS 13 -4.929 13.108 9.007 72 2HG LYS 13 2HG LYS 13 -3.022 12.311 10.797 73 2HD LYS 13 2HD LYS 13 -5.853 13.030 11.670 74 2HE LYS 13 2HE LYS 13 -3.419 12.718 13.088 75 1HZ LYS 13 1HZ LYS 13 -3.976 15.453 13.508 76 2HZ LYS 13 2HZ LYS 13 -2.536 14.715 13.286 77 3HZ LYS 13 3HZ LYS 13 -3.413 15.199 11.997 78 H LYS 14 H LYS 14 -6.305 10.012 11.381 79 HA LYS 14 HA LYS 14 -5.210 7.414 10.621 80 2HB LYS 14 2HB LYS 14 -3.363 8.270 11.783 81 2HG LYS 14 2HG LYS 14 -5.243 10.024 12.977 82 2HD LYS 14 2HD LYS 14 -4.042 9.610 15.410 83 2HE LYS 14 2HE LYS 14 -6.296 8.269 15.903 84 1HZ LYS 14 1HZ LYS 14 -5.847 10.630 16.342 85 2HZ LYS 14 2HZ LYS 14 -6.396 11.008 14.851 86 3HZ LYS 14 3HZ LYS 14 -7.404 10.340 15.947 87 H CYS 15 H CYS 15 -5.979 5.668 12.176 88 HA CYS 15 HA CYS 15 -8.774 6.010 12.507 89 2HB CYS 15 2HB CYS 15 -8.613 3.686 13.497 90 H TRP 16 H TRP 16 -7.215 4.200 15.064 91 HA TRP 16 HA TRP 16 -8.043 6.272 16.966 92 2HB TRP 16 2HB TRP 16 -7.524 3.977 18.406 93 HD1 TRP 16 HD TRP 16 -9.419 4.303 20.159 94 HE1 TRP 16 1HE TRP 16 -11.968 4.984 20.229 95 HE3 TRP 16 3HE TRP 16 -9.921 4.969 15.143 96 HZ2 TRP 16 2HZ TRP 16 -13.865 5.709 18.223 97 HZ3 TRP 16 3HZ TRP 16 -12.155 5.663 14.281 98 HH2 TRP 16 HH TRP 16 -14.086 6.032 15.732 99 H VAL 17 H VAL 17 -6.486 5.407 19.169 100 HA VAL 17 HA VAL 17 -4.232 6.813 19.014 101 HB VAL 17 HB VAL 17 -4.964 5.907 21.069 102 1HG1 VAL 17 1HG1 VAL 17 -5.502 3.746 21.510 103 2HG1 VAL 17 2HG1 VAL 17 -5.643 3.656 19.738 104 3HG1 VAL 17 3HG1 VAL 17 -4.157 3.095 20.543 105 1HG2 VAL 17 1HG2 VAL 17 -2.609 6.308 21.089 106 2HG2 VAL 17 2HG2 VAL 17 -2.882 4.768 21.940 107 3HG2 VAL 17 3HG2 VAL 17 -2.272 4.766 20.267 108 H ASN 18 H ASN 18 -4.383 3.246 18.312 109 HA ASN 18 HA ASN 18 -2.536 3.623 16.190 110 2HB ASN 18 2HB ASN 18 -0.969 3.503 18.135 111 1HD2 ASN 18 1HD2 ASN 18 0.130 0.967 18.816 112 2HD2 ASN 18 2HD2 ASN 18 -0.830 0.266 20.075 113 H ARG 19 H ARG 19 -4.959 2.747 15.703 114 HA ARG 19 HA ARG 19 -4.937 -0.141 16.023 115 2HB ARG 19 2HB ARG 19 -7.457 0.620 14.994 116 2HG ARG 19 2HG ARG 19 -6.319 -0.274 17.602 117 2HD ARG 19 2HD ARG 19 -8.723 1.496 17.421 118 HE ARG 19 HE ARG 19 -9.342 -1.102 17.998 119 1HH1 ARG 19 2HH2 ARG 19 -9.037 1.734 20.060 120 2HH1 ARG 19 1HH2 ARG 19 -10.196 1.174 21.219 121 1HH2 ARG 19 2HH1 ARG 19 -10.871 -1.842 19.527 122 2HH2 ARG 19 1HH1 ARG 19 -11.246 -0.874 20.914 123 H GLY 20 H GLY 20 -4.549 2.482 13.783 124 1HA GLY 20 1HA GLY 20 -5.515 1.236 11.417 125 2HA GLY 20 2HA GLY 20 -4.448 2.621 11.535 126 H GLU 21 H GLU 21 -2.726 2.170 10.205 127 HA GLU 21 HA GLU 21 -1.822 -0.293 9.546 128 2HB GLU 21 2HB GLU 21 -1.176 1.843 8.434 129 2HG GLU 21 2HG GLU 21 1.020 2.847 9.567 130 HE2 GLU 21 HE2 GLU 21 -1.810 4.431 11.601 131 H ALA 22 H ALA 22 -1.414 1.443 12.561 132 HA ALA 22 HA ALA 22 0.965 0.403 13.491 133 1HB ALA 22 1HB ALA 22 -0.166 0.744 15.764 134 2HB ALA 22 2HB ALA 22 -0.126 2.159 14.685 135 3HB ALA 22 3HB ALA 22 -1.623 1.213 14.856 136 H THR 23 H THR 23 -2.399 -0.932 13.774 137 HA THR 23 HA THR 23 -1.364 -3.373 14.921 138 HB THR 23 HB THR 23 -4.094 -2.215 14.223 139 HG1 THR 23 1HG THR 23 -4.094 -2.146 16.495 140 1HG2 THR 23 1HG2 THR 23 -3.329 -5.074 14.683 141 2HG2 THR 23 2HG2 THR 23 -4.633 -4.457 15.727 142 3HG2 THR 23 3HG2 THR 23 -4.810 -4.403 13.957 143 H GLN 24 H GLN 24 -3.132 -2.469 11.883 144 HA GLN 24 HA GLN 24 -3.220 -4.842 10.699 145 2HB GLN 24 2HB GLN 24 -2.972 -3.600 8.508 146 2HG GLN 24 2HG GLN 24 -4.578 -1.825 10.345 147 1HE2 GLN 24 1HE2 GLN 24 -4.201 -0.682 8.253 148 2HE2 GLN 24 2HE2 GLN 24 -5.291 -0.989 6.942 149 H SER 25 H SER 25 -0.390 -2.568 10.416 150 HA SER 25 HA SER 25 1.178 -4.892 9.631 151 2HB SER 25 2HB SER 25 2.757 -2.632 9.168 152 HG SER 25 HG SER 25 1.881 -4.600 7.754 153 H ILE 26 H ILE 26 2.843 -5.593 10.962 154 HA ILE 26 HA ILE 26 3.009 -4.505 13.563 155 HB ILE 26 HB ILE 26 4.916 -6.148 13.754 156 2HG1 ILE 26 2HG1 ILE 26 4.727 -6.093 10.913 157 1HG2 ILE 26 1HG2 ILE 26 3.459 -7.864 14.180 158 2HG2 ILE 26 2HG2 ILE 26 2.327 -6.492 14.107 159 3HG2 ILE 26 3HG2 ILE 26 2.505 -7.574 12.706 160 1HD1 ILE 26 1HD1 ILE 26 6.339 -8.204 12.274 161 2HD1 ILE 26 2HD1 ILE 26 6.842 -6.973 11.093 162 3HD1 ILE 26 3HD1 ILE 26 6.646 -6.534 12.806 163 H ILE 27 H ILE 27 4.929 -4.187 10.554 164 HA ILE 27 HA ILE 27 7.155 -2.956 11.667 165 HB ILE 27 HB ILE 27 6.689 -3.891 9.305 166 2HG1 ILE 27 2HG1 ILE 27 8.707 -2.407 10.394 167 1HG2 ILE 27 1HG2 ILE 27 6.000 -0.994 8.766 168 2HG2 ILE 27 2HG2 ILE 27 6.035 -2.350 7.612 169 3HG2 ILE 27 3HG2 ILE 27 4.790 -2.296 8.884 170 1HD1 ILE 27 1HD1 ILE 27 8.522 -4.368 8.554 171 2HD1 ILE 27 2HD1 ILE 27 8.876 -3.012 7.457 172 3HD1 ILE 27 3HD1 ILE 27 10.011 -3.416 8.767 173 H GLY 28 H GLY 28 3.919 -1.711 10.800 174 1HA GLY 28 1HA GLY 28 2.994 0.335 11.023 175 2HA GLY 28 2HA GLY 28 3.840 0.355 12.558 176 H GLY 29 H GLY 29 3.906 1.398 9.155 177 1HA GLY 29 1HA GLY 29 6.458 2.676 9.279 178 2HA GLY 29 2HA GLY 29 5.230 2.853 8.041 179 H MET 30 H MET 30 3.044 3.944 9.145 180 HA MET 30 HA MET 30 3.735 6.568 9.514 181 2HB MET 30 2HB MET 30 1.247 6.471 10.640 182 2HG MET 30 2HG MET 30 0.507 5.936 8.067 183 1HE MET 30 1HE MET 30 3.075 9.216 9.350 184 2HE MET 30 2HE MET 30 3.353 8.039 8.044 185 3HE MET 30 3HE MET 30 2.677 9.643 7.669 186 H ILE 31 H ILE 31 2.732 4.098 11.979 187 HA ILE 31 HA ILE 31 2.813 5.756 14.183 188 HB ILE 31 HB ILE 31 1.816 3.578 14.228 189 2HG1 ILE 31 2HG1 ILE 31 2.554 4.487 16.358 190 1HG2 ILE 31 1HG2 ILE 31 2.827 1.586 13.766 191 2HG2 ILE 31 2HG2 ILE 31 3.779 2.655 12.706 192 3HG2 ILE 31 3HG2 ILE 31 4.436 2.148 14.281 193 1HD1 ILE 31 1HD1 ILE 31 2.999 2.283 17.574 194 2HD1 ILE 31 2HD1 ILE 31 1.553 2.294 16.535 195 3HD1 ILE 31 3HD1 ILE 31 3.045 1.503 15.974 196 H SER 32 H SER 32 5.442 3.646 12.830 197 HA SER 32 HA SER 32 7.379 4.133 14.580 198 2HB SER 32 2HB SER 32 8.849 4.264 12.287 199 HG SER 32 HG SER 32 8.026 2.332 13.944 200 H GLY 33 H GLY 33 6.119 6.378 12.090 201 1HA GLY 33 1HA GLY 33 8.176 8.328 12.350 202 2HA GLY 33 2HA GLY 33 6.603 8.528 11.606 203 H TRP 34 H TRP 34 4.927 7.812 13.852 204 HA TRP 34 HA TRP 34 4.729 10.272 15.120 205 2HB TRP 34 2HB TRP 34 3.678 7.633 16.144 206 HD1 TRP 34 HD TRP 34 2.806 11.447 15.892 207 HE1 TRP 34 1HE TRP 34 1.352 12.194 17.963 208 HE3 TRP 34 3HE TRP 34 2.511 6.835 18.015 209 HZ2 TRP 34 2HZ TRP 34 0.266 10.804 20.206 210 HZ3 TRP 34 3HZ TRP 34 1.235 6.617 20.145 211 HH2 TRP 34 HH TRP 34 0.135 8.507 21.238 212 H ALA 35 H ALA 35 6.018 7.087 16.316 213 HA ALA 35 HA ALA 35 6.863 8.072 18.791 214 1HB ALA 35 1HB ALA 35 8.085 5.770 17.228 215 2HB ALA 35 2HB ALA 35 7.982 5.963 18.995 216 3HB ALA 35 3HB ALA 35 6.507 5.659 18.045 217 H SER 36 H SER 36 8.372 7.983 15.543 218 HA SER 36 HA SER 36 10.947 8.545 16.331 219 2HB SER 36 2HB SER 36 10.346 9.893 13.841 220 HG SER 36 HG SER 36 12.032 8.701 13.298 221 H GLY 37 H GLY 37 8.080 10.637 15.850 222 1HA GLY 37 1HA GLY 37 9.504 13.111 15.969 223 2HA GLY 37 2HA GLY 37 7.773 12.863 16.096 224 H LEU 38 H LEU 38 7.476 11.206 18.312 225 HA LEU 38 HA LEU 38 7.774 13.032 20.410 226 2HB LEU 38 2HB LEU 38 6.861 11.304 21.793 227 HG LEU 38 HG LEU 38 5.689 11.511 19.047 228 1HD1 LEU 38 1HD1 LEU 38 5.052 9.334 19.209 229 2HD1 LEU 38 2HD1 LEU 38 5.133 9.320 20.987 230 3HD1 LEU 38 3HD1 LEU 38 3.746 10.076 20.166 231 1HD2 LEU 38 1HD2 LEU 38 4.047 12.762 20.050 232 2HD2 LEU 38 2HD2 LEU 38 4.216 11.939 21.618 233 3HD2 LEU 38 3HD2 LEU 38 5.434 13.131 21.102 234 H ALA 39 H ALA 39 9.553 9.978 19.596 235 HA ALA 39 HA ALA 39 11.319 10.177 21.772 236 1HB ALA 39 1HB ALA 39 12.205 8.243 20.910 237 2HB ALA 39 2HB ALA 39 10.677 8.254 19.996 238 3HB ALA 39 3HB ALA 39 12.174 8.846 19.236 239 H GLY 40 H GLY 40 11.166 11.699 18.579 240 1HA GLY 40 1HA GLY 40 13.918 12.478 18.482 241 2HA GLY 40 2HA GLY 40 12.603 13.054 17.475 242 H MET 41 H MET 41 13.515 13.190 21.001 243 HA MET 41 HA MET 41 13.200 14.796 22.472 244 2HB MET 41 2HB MET 41 14.269 17.084 21.333 245 2HG MET 41 2HG MET 41 16.495 15.334 21.650 246 1HE MET 41 1HE MET 41 18.334 17.163 23.498 247 2HE MET 41 2HE MET 41 17.833 16.840 21.821 248 3HE MET 41 3HE MET 41 17.650 18.473 22.504 Start of MODEL 20 1 1H ALA 1 1H ALA 1 -21.899 4.551 19.478 2 HA ALA 1 HA ALA 1 -20.636 4.463 17.504 3 1HB ALA 1 1HB ALA 1 -19.445 6.349 19.570 4 2HB ALA 1 2HB ALA 1 -19.035 6.414 17.839 5 3HB ALA 1 3HB ALA 1 -20.710 6.701 18.369 6 H ARG 2 H ARG 2 -18.265 4.536 16.605 7 HA ARG 2 HA ARG 2 -16.988 2.253 17.779 8 2HB ARG 2 2HB ARG 2 -15.416 2.857 15.628 9 2HG ARG 2 2HG ARG 2 -17.003 0.826 16.113 10 2HD ARG 2 2HD ARG 2 -18.894 2.792 15.129 11 HE ARG 2 HE ARG 2 -18.104 1.248 12.984 12 1HH1 ARG 2 2HH2 ARG 2 -21.049 1.367 14.907 13 2HH1 ARG 2 1HH2 ARG 2 -22.071 0.850 13.607 14 1HH2 ARG 2 2HH1 ARG 2 -19.451 0.568 11.269 15 2HH2 ARG 2 1HH1 ARG 2 -21.155 0.392 11.524 16 H SER 3 H SER 3 -14.561 2.244 18.113 17 HA SER 3 HA SER 3 -12.901 4.313 17.998 18 2HB SER 3 2HB SER 3 -13.141 4.910 20.675 19 HG SER 3 HG SER 3 -14.298 6.192 18.360 20 H TYR 4 H TYR 4 -12.822 1.511 17.894 21 HA TYR 4 HA TYR 4 -11.863 0.442 20.368 22 2HB TYR 4 2HB TYR 4 -11.253 -1.440 18.637 23 HD1 TYR 4 1HD TYR 4 -14.339 0.223 17.425 24 HD2 TYR 4 2HD TYR 4 -12.697 -2.732 20.046 25 HE1 TYR 4 1HE TYR 4 -16.669 -0.700 17.855 26 HE2 TYR 4 2HE TYR 4 -15.032 -3.645 20.468 27 HH TYR 4 HH TYR 4 -17.249 -3.038 20.343 28 H GLY 5 H GLY 5 -9.848 0.653 21.196 29 1HA GLY 5 1HA GLY 5 -7.615 0.904 21.312 30 2HA GLY 5 2HA GLY 5 -7.510 0.407 19.634 31 H ASN 6 H ASN 6 -6.787 1.903 18.180 32 HA ASN 6 HA ASN 6 -6.170 4.471 19.054 33 2HB ASN 6 2HB ASN 6 -6.315 4.397 16.166 34 1HD2 ASN 6 1HD2 ASN 6 -4.488 5.229 15.375 35 2HD2 ASN 6 2HD2 ASN 6 -3.049 5.556 16.281 36 H GLY 7 H GLY 7 -8.523 3.254 16.538 37 1HA GLY 7 1HA GLY 7 -10.530 5.150 17.348 38 2HA GLY 7 2HA GLY 7 -9.769 5.562 15.824 39 H VAL 8 H VAL 8 -9.333 3.230 14.494 40 HA VAL 8 HA VAL 8 -10.247 1.463 13.486 41 HB VAL 8 HB VAL 8 -11.501 1.402 15.978 42 1HG1 VAL 8 1HG1 VAL 8 -13.553 2.318 15.130 43 2HG1 VAL 8 2HG1 VAL 8 -13.540 1.207 13.740 44 3HG1 VAL 8 3HG1 VAL 8 -13.797 0.573 15.383 45 1HG2 VAL 8 1HG2 VAL 8 -10.360 -0.493 15.126 46 2HG2 VAL 8 2HG2 VAL 8 -12.067 -0.977 15.253 47 3HG2 VAL 8 3HG2 VAL 8 -11.379 -0.551 13.668 48 H TYR 9 H TYR 9 -12.733 3.928 14.446 49 HA TYR 9 HA TYR 9 -14.306 3.708 12.184 50 2HB TYR 9 2HB TYR 9 -14.797 4.974 14.311 51 HD1 TYR 9 1HD TYR 9 -13.253 7.730 12.372 52 HD2 TYR 9 2HD TYR 9 -13.112 5.414 15.967 53 HE1 TYR 9 1HE TYR 9 -11.618 9.391 13.388 54 HE2 TYR 9 2HE TYR 9 -11.478 7.084 16.970 55 HH TYR 9 HH TYR 9 -9.996 9.531 15.048 56 H CYS 10 H CYS 10 -11.387 5.751 12.803 57 HA CYS 10 HA CYS 10 -10.523 5.688 10.202 58 2HB CYS 10 2HB CYS 10 -11.539 8.442 10.475 59 H ASN 11 H ASN 11 -9.276 8.243 9.995 60 HA ASN 11 HA ASN 11 -7.839 8.308 12.532 61 2HB ASN 11 2HB ASN 11 -6.839 8.904 9.697 62 1HD2 ASN 11 1HD2 ASN 11 -4.511 9.104 9.590 63 2HD2 ASN 11 2HD2 ASN 11 -3.644 9.905 10.858 64 H ASN 12 H ASN 12 -8.152 10.333 9.509 65 HA ASN 12 HA ASN 12 -9.351 12.436 11.017 66 2HB ASN 12 2HB ASN 12 -7.258 13.326 11.520 67 1HD2 ASN 12 1HD2 ASN 12 -5.356 12.503 11.876 68 2HD2 ASN 12 2HD2 ASN 12 -4.336 11.671 10.751 69 H LYS 13 H LYS 13 -7.314 12.014 8.013 70 HA LYS 13 HA LYS 13 -9.491 13.197 6.469 71 2HB LYS 13 2HB LYS 13 -7.450 14.333 6.111 72 2HG LYS 13 2HG LYS 13 -6.297 11.629 6.393 73 2HD LYS 13 2HD LYS 13 -5.251 13.503 4.217 74 2HE LYS 13 2HE LYS 13 -3.861 11.014 4.267 75 1HZ LYS 13 1HZ LYS 13 -2.164 12.417 4.120 76 2HZ LYS 13 2HZ LYS 13 -3.285 13.598 4.005 77 3HZ LYS 13 3HZ LYS 13 -2.580 13.279 5.443 78 H LYS 14 H LYS 14 -7.550 10.231 6.918 79 HA LYS 14 HA LYS 14 -9.454 8.890 5.135 80 2HB LYS 14 2HB LYS 14 -7.487 9.085 3.815 81 2HG LYS 14 2HG LYS 14 -6.011 9.519 5.956 82 2HD LYS 14 2HD LYS 14 -4.881 6.834 5.709 83 2HE LYS 14 2HE LYS 14 -5.329 6.983 8.281 84 1HZ LYS 14 1HZ LYS 14 -3.367 7.926 6.766 85 2HZ LYS 14 2HZ LYS 14 -3.814 9.294 7.537 86 3HZ LYS 14 3HZ LYS 14 -3.361 7.983 8.399 87 H CYS 15 H CYS 15 -8.857 6.286 5.535 88 HA CYS 15 HA CYS 15 -9.125 6.045 8.441 89 2HB CYS 15 2HB CYS 15 -10.255 3.838 7.843 90 H TRP 16 H TRP 16 -8.724 3.254 6.306 91 HA TRP 16 HA TRP 16 -5.956 3.109 6.190 92 2HB TRP 16 2HB TRP 16 -5.360 2.703 8.284 93 HD1 TRP 16 HD TRP 16 -8.843 1.010 8.841 94 HE1 TRP 16 1HE TRP 16 -10.036 2.033 10.961 95 HE3 TRP 16 3HE TRP 16 -5.270 4.492 9.823 96 HZ2 TRP 16 2HZ TRP 16 -9.367 4.137 12.769 97 HZ3 TRP 16 3HZ TRP 16 -5.617 5.991 11.783 98 HH2 TRP 16 HH TRP 16 -7.580 5.856 13.233 99 H VAL 17 H VAL 17 -5.566 0.334 6.338 100 HA VAL 17 HA VAL 17 -7.783 -0.766 4.769 101 HB VAL 17 HB VAL 17 -4.899 -0.478 4.032 102 1HG1 VAL 17 1HG1 VAL 17 -6.530 -2.919 3.675 103 2HG1 VAL 17 2HG1 VAL 17 -5.747 -2.311 2.197 104 3HG1 VAL 17 3HG1 VAL 17 -4.764 -2.696 3.631 105 1HG2 VAL 17 1HG2 VAL 17 -7.008 -0.590 1.970 106 2HG2 VAL 17 2HG2 VAL 17 -7.194 0.726 3.155 107 3HG2 VAL 17 3HG2 VAL 17 -5.693 0.585 2.209 108 H ASN 18 H ASN 18 -4.540 -1.636 6.174 109 HA ASN 18 HA ASN 18 -5.830 -3.487 7.908 110 2HB ASN 18 2HB ASN 18 -3.720 -4.959 6.493 111 1HD2 ASN 18 1HD2 ASN 18 -6.084 -6.186 4.947 112 2HD2 ASN 18 2HD2 ASN 18 -6.887 -7.193 6.105 113 H ARG 19 H ARG 19 -4.710 -2.824 9.760 114 HA ARG 19 HA ARG 19 -2.161 -1.719 9.615 115 2HB ARG 19 2HB ARG 19 -3.285 -2.935 12.161 116 2HG ARG 19 2HG ARG 19 -1.352 -0.845 11.401 117 2HD ARG 19 2HD ARG 19 -3.536 0.450 12.107 118 HE ARG 19 HE ARG 19 -3.182 -1.158 14.436 119 1HH1 ARG 19 2HH2 ARG 19 -3.727 2.210 13.577 120 2HH1 ARG 19 1HH2 ARG 19 -4.541 2.589 15.058 121 1HH2 ARG 19 2HH1 ARG 19 -4.255 -0.660 16.390 122 2HH2 ARG 19 1HH1 ARG 19 -4.843 0.946 16.669 123 H GLY 20 H GLY 20 -3.422 -5.009 10.181 124 1HA GLY 20 1HA GLY 20 -1.453 -6.349 11.434 125 2HA GLY 20 2HA GLY 20 -2.348 -6.997 10.075 126 H GLU 21 H GLU 21 -1.534 -6.131 7.804 127 HA GLU 21 HA GLU 21 1.038 -7.041 7.501 128 2HB GLU 21 2HB GLU 21 -0.491 -7.070 5.637 129 2HG GLU 21 2HG GLU 21 -0.921 -4.259 6.429 130 HE2 GLU 21 HE2 GLU 21 0.411 -2.747 4.727 131 H ALA 22 H ALA 22 -0.226 -3.800 8.212 132 HA ALA 22 HA ALA 22 1.994 -2.302 7.440 133 1HB ALA 22 1HB ALA 22 -0.401 -1.599 8.161 134 2HB ALA 22 2HB ALA 22 0.237 -1.666 9.822 135 3HB ALA 22 3HB ALA 22 0.959 -0.552 8.635 136 H THR 23 H THR 23 1.108 -3.773 10.640 137 HA THR 23 HA THR 23 3.305 -2.927 12.065 138 HB THR 23 HB THR 23 1.349 -5.223 12.165 139 HG1 THR 23 1HG THR 23 0.848 -3.982 14.042 140 1HG2 THR 23 1HG2 THR 23 3.671 -6.114 12.919 141 2HG2 THR 23 2HG2 THR 23 3.596 -4.889 14.207 142 3HG2 THR 23 3HG2 THR 23 2.371 -6.179 14.133 143 H GLN 24 H GLN 24 3.012 -6.236 10.603 144 HA GLN 24 HA GLN 24 5.578 -6.955 10.995 145 2HB GLN 24 2HB GLN 24 3.925 -8.534 10.190 146 2HG GLN 24 2HG GLN 24 3.949 -6.878 7.622 147 1HE2 GLN 24 1HE2 GLN 24 3.357 -7.868 5.841 148 2HE2 GLN 24 2HE2 GLN 24 2.719 -9.472 5.704 149 H SER 25 H SER 25 4.242 -4.799 8.485 150 HA SER 25 HA SER 25 6.239 -4.814 6.670 151 2HB SER 25 2HB SER 25 5.261 -2.093 7.332 152 HG SER 25 HG SER 25 4.208 -2.975 5.058 153 H ILE 26 H ILE 26 8.040 -3.189 6.292 154 HA ILE 26 HA ILE 26 9.749 -3.130 8.519 155 HB ILE 26 HB ILE 26 11.142 -1.681 6.988 156 2HG1 ILE 26 2HG1 ILE 26 8.651 -1.472 5.600 157 1HG2 ILE 26 1HG2 ILE 26 11.916 -3.781 6.805 158 2HG2 ILE 26 2HG2 ILE 26 10.289 -4.480 6.617 159 3HG2 ILE 26 3HG2 ILE 26 11.110 -3.746 5.218 160 1HD1 ILE 26 1HD1 ILE 26 11.315 -0.529 4.524 161 2HD1 ILE 26 2HD1 ILE 26 9.743 0.306 4.523 162 3HD1 ILE 26 3HD1 ILE 26 10.678 0.171 6.032 163 H ILE 27 H ILE 27 7.540 -0.733 7.020 164 HA ILE 27 HA ILE 27 8.426 1.519 8.340 165 HB ILE 27 HB ILE 27 6.714 1.228 6.465 166 2HG1 ILE 27 2HG1 ILE 27 7.320 3.313 8.158 167 1HG2 ILE 27 1HG2 ILE 27 5.248 0.016 8.563 168 2HG2 ILE 27 2HG2 ILE 27 4.423 1.540 8.159 169 3HG2 ILE 27 3HG2 ILE 27 4.732 0.331 6.890 170 1HD1 ILE 27 1HD1 ILE 27 6.775 4.615 6.325 171 2HD1 ILE 27 2HD1 ILE 27 6.753 3.022 5.531 172 3HD1 ILE 27 3HD1 ILE 27 5.229 3.775 6.057 173 H GLY 28 H GLY 28 6.776 -1.332 9.550 174 1HA GLY 28 1HA GLY 28 5.352 -0.557 11.695 175 2HA GLY 28 2HA GLY 28 6.416 -1.950 11.698 176 H GLY 29 H GLY 29 8.946 -0.510 11.387 177 1HA GLY 29 1HA GLY 29 9.401 0.152 14.130 178 2HA GLY 29 2HA GLY 29 10.553 0.201 12.811 179 H MET 30 H MET 30 9.393 1.999 11.000 180 HA MET 30 HA MET 30 10.134 4.409 12.104 181 2HB MET 30 2HB MET 30 8.610 5.185 9.973 182 2HG MET 30 2HG MET 30 10.818 3.667 8.856 183 1HE MET 30 1HE MET 30 13.103 6.194 9.005 184 2HE MET 30 2HE MET 30 12.624 4.960 7.815 185 3HE MET 30 3HE MET 30 12.564 6.685 7.382 186 H ILE 31 H ILE 31 6.817 3.115 11.377 187 HA ILE 31 HA ILE 31 5.396 5.319 12.233 188 HB ILE 31 HB ILE 31 4.407 3.546 10.964 189 2HG1 ILE 31 2HG1 ILE 31 2.903 4.887 12.323 190 1HG2 ILE 31 1HG2 ILE 31 4.303 1.336 11.525 191 2HG2 ILE 31 2HG2 ILE 31 5.823 1.778 12.339 192 3HG2 ILE 31 3HG2 ILE 31 4.313 1.658 13.275 193 1HD1 ILE 31 1HD1 ILE 31 1.801 3.129 11.072 194 2HD1 ILE 31 2HD1 ILE 31 2.275 1.904 12.273 195 3HD1 ILE 31 3HD1 ILE 31 1.079 3.150 12.700 196 H SER 32 H SER 32 6.352 2.362 14.115 197 HA SER 32 HA SER 32 5.259 2.902 16.464 198 2HB SER 32 2HB SER 32 8.167 2.142 16.539 199 HG SER 32 HG SER 32 5.942 1.726 18.043 200 H GLY 33 H GLY 33 8.059 4.571 14.988 201 1HA GLY 33 1HA GLY 33 8.815 6.014 17.334 202 2HA GLY 33 2HA GLY 33 9.327 6.307 15.684 203 H TRP 34 H TRP 34 6.807 6.712 14.398 204 HA TRP 34 HA TRP 34 6.386 9.408 14.926 205 2HB TRP 34 2HB TRP 34 4.451 7.530 13.569 206 HD1 TRP 34 HD TRP 34 5.876 11.179 13.433 207 HE1 TRP 34 1HE TRP 34 4.039 12.847 12.536 208 HE3 TRP 34 3HE TRP 34 2.315 7.644 12.610 209 HZ2 TRP 34 2HZ TRP 34 1.363 12.511 11.605 210 HZ3 TRP 34 3HZ TRP 34 0.118 8.398 11.707 211 HH2 TRP 34 HH TRP 34 -0.385 10.737 11.206 212 H ALA 35 H ALA 35 4.307 6.510 15.669 213 HA ALA 35 HA ALA 35 2.414 7.910 17.147 214 1HB ALA 35 1HB ALA 35 2.297 5.557 16.178 215 2HB ALA 35 2HB ALA 35 3.273 5.025 17.568 216 3HB ALA 35 3HB ALA 35 1.663 5.738 17.830 217 H SER 36 H SER 36 5.579 6.466 18.029 218 HA SER 36 HA SER 36 5.275 6.606 20.759 219 2HB SER 36 2HB SER 36 7.726 6.803 18.968 220 HG SER 36 HG SER 36 8.876 6.183 20.989 221 H GLY 37 H GLY 37 6.206 9.070 18.325 222 1HA GLY 37 1HA GLY 37 7.083 11.036 20.185 223 2HA GLY 37 2HA GLY 37 6.663 11.271 18.499 224 H LEU 38 H LEU 38 3.991 10.498 18.345 225 HA LEU 38 HA LEU 38 2.695 12.751 19.340 226 2HB LEU 38 2HB LEU 38 0.682 11.729 18.513 227 HG LEU 38 HG LEU 38 3.126 11.370 16.821 228 1HD1 LEU 38 1HD1 LEU 38 2.164 9.551 15.872 229 2HD1 LEU 38 2HD1 LEU 38 0.522 10.004 16.389 230 3HD1 LEU 38 3HD1 LEU 38 1.263 10.802 14.981 231 1HD2 LEU 38 1HD2 LEU 38 2.554 13.489 16.418 232 2HD2 LEU 38 2HD2 LEU 38 1.238 12.817 15.425 233 3HD2 LEU 38 3HD2 LEU 38 0.930 13.280 17.117 234 H ALA 39 H ALA 39 2.674 9.308 20.478 235 HA ALA 39 HA ALA 39 0.979 9.817 22.658 236 1HB ALA 39 1HB ALA 39 2.140 7.612 21.401 237 2HB ALA 39 2HB ALA 39 2.890 7.621 23.017 238 3HB ALA 39 3HB ALA 39 1.117 7.574 22.858 239 H GLY 40 H GLY 40 4.424 10.323 22.062 240 1HA GLY 40 1HA GLY 40 5.158 10.488 24.837 241 2HA GLY 40 2HA GLY 40 6.130 10.909 23.441 242 H MET 41 H MET 41 3.011 12.064 24.930 243 HA MET 41 HA MET 41 2.244 14.061 25.323 244 2HB MET 41 2HB MET 41 4.215 15.798 25.971 245 2HG MET 41 2HG MET 41 4.529 14.368 28.165 246 1HE MET 41 1HE MET 41 1.328 13.297 28.197 247 2HE MET 41 2HE MET 41 0.224 14.638 28.585 248 3HE MET 41 3HE MET 41 0.611 14.267 26.888
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