NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
3598 | 1dx7 | 4303 | cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -1.121 -12.144 30.111 2 H2 ALA 1 H2 ALA 1 -0.793 -11.809 31.741 3 H3 ALA 1 H3 ALA 1 -1.559 -13.263 31.311 4 HA ALA 1 HA ALA 1 -3.577 -12.310 31.014 5 1HB ALA 1 1HB ALA 1 -2.339 -11.620 33.313 6 2HB ALA 1 2HB ALA 1 -3.992 -11.132 32.938 7 3HB ALA 1 3HB ALA 1 -2.659 -10.012 32.663 8 H ASP 2 H ASP 2 -4.479 -11.241 29.327 9 HA ASP 2 HA ASP 2 -3.866 -8.437 28.819 10 1HB ASP 2 1HB ASP 2 -3.110 -8.819 26.464 11 2HB ASP 2 2HB ASP 2 -1.962 -9.422 27.659 12 H LYS 3 H LYS 3 -5.046 -7.855 26.583 13 HA LYS 3 HA LYS 3 -7.793 -8.867 26.887 14 1HB LYS 3 1HB LYS 3 -6.471 -6.600 25.481 15 2HB LYS 3 2HB LYS 3 -7.955 -7.222 24.757 16 1HG LYS 3 1HG LYS 3 -8.662 -5.529 26.276 17 2HG LYS 3 2HG LYS 3 -8.987 -7.056 27.097 18 1HD LYS 3 1HD LYS 3 -7.332 -6.730 28.654 19 2HD LYS 3 2HD LYS 3 -6.293 -5.866 27.520 20 1HE LYS 3 1HE LYS 3 -7.841 -3.911 27.653 21 2HE LYS 3 2HE LYS 3 -7.105 -4.303 29.207 22 1HZ LYS 3 1HZ LYS 3 -9.760 -5.319 28.368 23 2HZ LYS 3 2HZ LYS 3 -9.068 -5.376 29.918 24 3HZ LYS 3 3HZ LYS 3 -9.556 -3.889 29.256 25 H SER 4 H SER 4 -6.737 -8.146 23.642 26 HA SER 4 HA SER 4 -6.892 -9.666 21.773 27 1HB SER 4 1HB SER 4 -5.524 -11.494 22.008 28 2HB SER 4 2HB SER 4 -5.031 -10.641 23.463 29 HG SER 4 HG SER 4 -5.660 -12.862 23.802 30 H ASP 5 H ASP 5 -9.027 -9.158 23.848 31 HA ASP 5 HA ASP 5 -10.831 -10.421 24.755 32 1HB ASP 5 1HB ASP 5 -11.351 -8.945 22.619 33 2HB ASP 5 2HB ASP 5 -11.863 -10.523 22.023 34 H LEU 6 H LEU 6 -8.912 -12.235 24.557 35 HA LEU 6 HA LEU 6 -8.414 -14.440 23.627 36 1HB LEU 6 1HB LEU 6 -10.094 -14.231 25.881 37 2HB LEU 6 2HB LEU 6 -10.570 -15.656 24.956 38 HG LEU 6 HG LEU 6 -8.009 -15.975 24.680 39 1HD1 LEU 6 1HD1 LEU 6 -7.525 -13.785 25.767 40 2HD1 LEU 6 2HD1 LEU 6 -8.116 -14.447 27.294 41 3HD1 LEU 6 3HD1 LEU 6 -6.682 -15.136 26.530 42 1HD2 LEU 6 1HD2 LEU 6 -9.751 -17.364 26.042 43 2HD2 LEU 6 2HD2 LEU 6 -8.044 -17.568 26.437 44 3HD2 LEU 6 3HD2 LEU 6 -9.070 -16.555 27.453 45 H GLY 7 H GLY 7 -9.459 -13.328 21.807 46 1HA GLY 7 1HA GLY 7 -10.535 -15.182 19.999 47 2HA GLY 7 2HA GLY 7 -11.938 -14.335 20.679 48 H TYR 8 H TYR 8 -10.926 -11.841 21.128 49 HA TYR 8 HA TYR 8 -10.929 -10.617 18.585 50 1HB TYR 8 1HB TYR 8 -11.581 -9.211 20.349 51 2HB TYR 8 2HB TYR 8 -10.276 -9.799 21.375 52 HD1 TYR 8 HD1 TYR 8 -10.883 -7.737 18.279 53 HD2 TYR 8 HD2 TYR 8 -8.347 -8.736 21.584 54 HE1 TYR 8 HE1 TYR 8 -9.426 -5.800 17.731 55 HE2 TYR 8 HE2 TYR 8 -6.868 -6.795 21.044 56 HH TYR 8 HH TYR 8 -6.422 -5.439 18.679 57 H THR 9 H THR 9 -8.636 -12.058 20.682 58 HA THR 9 HA THR 9 -6.143 -11.067 19.912 59 HB THR 9 HB THR 9 -6.699 -14.049 19.915 60 HG1 THR 9 HG1 THR 9 -7.700 -13.261 21.654 61 1HG2 THR 9 1HG2 THR 9 -4.349 -12.334 20.002 62 2HG2 THR 9 2HG2 THR 9 -4.411 -13.425 21.386 63 3HG2 THR 9 3HG2 THR 9 -4.450 -14.076 19.747 64 H GLY 10 H GLY 10 -7.941 -13.615 18.164 65 1HA GLY 10 1HA GLY 10 -6.159 -13.604 15.883 66 2HA GLY 10 2HA GLY 10 -7.743 -14.375 15.939 67 H LEU 11 H LEU 11 -9.657 -12.848 15.676 68 HA LEU 11 HA LEU 11 -9.691 -11.475 13.330 69 1HB LEU 11 1HB LEU 11 -11.535 -11.820 15.280 70 2HB LEU 11 2HB LEU 11 -11.768 -10.733 13.916 71 HG LEU 11 HG LEU 11 -10.308 -9.572 16.213 72 1HD1 LEU 11 1HD1 LEU 11 -11.390 -8.594 13.948 73 2HD1 LEU 11 2HD1 LEU 11 -12.770 -8.396 15.029 74 3HD1 LEU 11 3HD1 LEU 11 -11.230 -7.633 15.419 75 1HD2 LEU 11 1HD2 LEU 11 -12.207 -11.075 17.153 76 2HD2 LEU 11 2HD2 LEU 11 -12.180 -9.385 17.662 77 3HD2 LEU 11 3HD2 LEU 11 -13.305 -9.912 16.411 78 H THR 12 H THR 12 -8.273 -10.315 16.284 79 HA THR 12 HA THR 12 -7.973 -7.623 15.729 80 HB THR 12 HB THR 12 -6.050 -9.553 17.007 81 HG1 THR 12 HG1 THR 12 -8.185 -8.311 17.748 82 1HG2 THR 12 1HG2 THR 12 -4.807 -7.657 15.960 83 2HG2 THR 12 2HG2 THR 12 -5.809 -6.535 16.880 84 3HG2 THR 12 3HG2 THR 12 -4.719 -7.636 17.721 85 H ASP 13 H ASP 13 -5.531 -9.978 15.194 86 HA ASP 13 HA ASP 13 -3.812 -8.792 13.510 87 1HB ASP 13 1HB ASP 13 -4.635 -11.512 13.880 88 2HB ASP 13 2HB ASP 13 -4.374 -11.227 12.157 89 H GLU 14 H GLU 14 -7.087 -9.640 12.630 90 HA GLU 14 HA GLU 14 -6.564 -8.763 9.887 91 1HB GLU 14 1HB GLU 14 -8.441 -10.421 10.886 92 2HB GLU 14 2HB GLU 14 -9.345 -8.906 10.875 93 1HG GLU 14 1HG GLU 14 -9.693 -9.175 8.670 94 2HG GLU 14 2HG GLU 14 -7.955 -8.998 8.422 95 H GLN 15 H GLN 15 -8.484 -7.533 12.664 96 HA GLN 15 HA GLN 15 -9.132 -5.026 11.442 97 1HB GLN 15 1HB GLN 15 -9.873 -4.342 13.570 98 2HB GLN 15 2HB GLN 15 -8.752 -5.432 14.380 99 1HG GLN 15 1HG GLN 15 -11.211 -6.153 14.339 100 2HG GLN 15 2HG GLN 15 -10.021 -7.345 13.818 101 2HE2 GLN 15 2HE2 GLN 15 -11.994 -4.687 12.348 102 1HE2 GLN 15 1HE2 GLN 15 -12.352 -5.544 10.927 103 H ALA 16 H ALA 16 -6.734 -6.023 13.739 104 HA ALA 16 HA ALA 16 -5.276 -3.681 14.069 105 1HB ALA 16 1HB ALA 16 -4.090 -5.209 15.255 106 2HB ALA 16 2HB ALA 16 -3.382 -5.752 13.732 107 3HB ALA 16 3HB ALA 16 -4.841 -6.532 14.354 108 H GLN 17 H GLN 17 -5.663 -5.792 11.309 109 HA GLN 17 HA GLN 17 -3.476 -4.470 9.826 110 1HB GLN 17 1HB GLN 17 -4.793 -6.942 9.658 111 2HB GLN 17 2HB GLN 17 -3.510 -6.344 8.620 112 1HG GLN 17 1HG GLN 17 -6.495 -6.173 8.169 113 2HG GLN 17 2HG GLN 17 -5.350 -5.197 7.253 114 2HE2 GLN 17 2HE2 GLN 17 -5.825 -6.354 5.244 115 1HE2 GLN 17 1HE2 GLN 17 -5.290 -7.946 4.999 116 H GLU 18 H GLU 18 -6.959 -4.386 10.080 117 HA GLU 18 HA GLU 18 -7.741 -2.973 7.816 118 1HB GLU 18 1HB GLU 18 -8.755 -3.327 10.491 119 2HB GLU 18 2HB GLU 18 -8.951 -1.638 10.019 120 1HG GLU 18 1HG GLU 18 -10.009 -2.398 7.888 121 2HG GLU 18 2HG GLU 18 -10.918 -2.898 9.315 122 H LEU 19 H LEU 19 -5.660 -2.021 10.406 123 HA LEU 19 HA LEU 19 -5.496 0.729 9.291 124 1HB LEU 19 1HB LEU 19 -4.755 1.462 11.414 125 2HB LEU 19 2HB LEU 19 -6.093 0.376 11.763 126 HG LEU 19 HG LEU 19 -3.956 -1.345 11.710 127 1HD1 LEU 19 1HD1 LEU 19 -2.902 1.309 11.993 128 2HD1 LEU 19 2HD1 LEU 19 -2.680 0.450 13.519 129 3HD1 LEU 19 3HD1 LEU 19 -2.030 -0.224 12.025 130 1HD2 LEU 19 1HD2 LEU 19 -5.262 0.190 13.966 131 2HD2 LEU 19 2HD2 LEU 19 -5.601 -1.458 13.434 132 3HD2 LEU 19 3HD2 LEU 19 -4.088 -1.092 14.265 133 H HIS 20 H HIS 20 -3.740 -2.197 10.063 134 HA HIS 20 HA HIS 20 -1.150 -0.977 9.474 135 1HB HIS 20 1HB HIS 20 -2.091 -3.357 10.772 136 2HB HIS 20 2HB HIS 20 -0.908 -3.764 9.538 137 HD1 HIS 20 HD1 HIS 20 1.520 -2.992 9.901 138 HD2 HIS 20 HD2 HIS 20 -1.106 -1.630 12.835 139 HE1 HIS 20 HE1 HIS 20 2.957 -2.013 11.746 140 H SER 21 H SER 21 -2.389 -4.085 8.236 141 HA SER 21 HA SER 21 -0.997 -4.362 5.958 142 1HB SER 21 1HB SER 21 -3.982 -4.698 6.125 143 2HB SER 21 2HB SER 21 -2.992 -5.315 4.816 144 HG SER 21 HG SER 21 -2.158 -5.950 7.388 145 H VAL 22 H VAL 22 -4.134 -2.939 5.767 146 HA VAL 22 HA VAL 22 -4.147 -1.779 3.347 147 HB VAL 22 HB VAL 22 -6.085 -1.384 4.560 148 1HG1 VAL 22 1HG1 VAL 22 -4.207 -1.346 6.775 149 2HG1 VAL 22 2HG1 VAL 22 -5.406 -0.061 6.952 150 3HG1 VAL 22 3HG1 VAL 22 -5.928 -1.740 6.782 151 1HG2 VAL 22 1HG2 VAL 22 -4.539 1.197 4.948 152 2HG2 VAL 22 2HG2 VAL 22 -5.506 0.769 3.538 153 3HG2 VAL 22 3HG2 VAL 22 -6.289 1.040 5.095 154 H TYR 23 H TYR 23 -2.755 -0.319 6.262 155 HA TYR 23 HA TYR 23 -1.717 2.077 5.267 156 1HB TYR 23 1HB TYR 23 -1.500 0.647 7.621 157 2HB TYR 23 2HB TYR 23 0.152 0.644 7.021 158 HD1 TYR 23 HD1 TYR 23 0.594 3.118 5.741 159 HD2 TYR 23 HD2 TYR 23 -1.822 2.326 9.199 160 HE1 TYR 23 HE1 TYR 23 0.874 5.474 6.482 161 HE2 TYR 23 HE2 TYR 23 -1.544 4.666 9.946 162 HH TYR 23 HH TYR 23 0.714 6.618 9.062 163 H MET 24 H MET 24 0.306 -0.830 5.753 164 HA MET 24 HA MET 24 2.408 0.088 4.076 165 1HB MET 24 1HB MET 24 1.840 -2.221 5.643 166 2HB MET 24 2HB MET 24 2.318 -2.779 4.038 167 1HG MET 24 1HG MET 24 4.353 -1.422 4.140 168 2HG MET 24 2HG MET 24 3.865 -0.775 5.706 169 1HE MET 24 1HE MET 24 6.234 -2.222 4.357 170 2HE MET 24 2HE MET 24 6.890 -3.482 5.399 171 3HE MET 24 3HE MET 24 5.855 -3.922 4.043 172 H SER 25 H SER 25 -0.681 -0.970 3.166 173 HA SER 25 HA SER 25 0.113 -2.180 0.620 174 1HB SER 25 1HB SER 25 -2.128 -2.413 2.131 175 2HB SER 25 2HB SER 25 -2.662 -1.187 0.984 176 HG SER 25 HG SER 25 -3.062 -3.213 0.120 177 H GLY 26 H GLY 26 -2.053 0.602 1.234 178 1HA GLY 26 1HA GLY 26 -1.689 1.799 -1.304 179 2HA GLY 26 2HA GLY 26 -2.187 2.676 0.144 180 H LEU 27 H LEU 27 0.253 1.815 1.555 181 HA LEU 27 HA LEU 27 1.896 4.063 1.169 182 1HB LEU 27 1HB LEU 27 1.953 1.555 2.629 183 2HB LEU 27 2HB LEU 27 3.570 2.025 2.098 184 HG LEU 27 HG LEU 27 3.423 4.138 3.213 185 1HD1 LEU 27 1HD1 LEU 27 0.487 3.454 3.457 186 2HD1 LEU 27 2HD1 LEU 27 1.240 4.700 4.452 187 3HD1 LEU 27 3HD1 LEU 27 1.216 4.868 2.697 188 1HD2 LEU 27 1HD2 LEU 27 2.180 1.961 4.927 189 2HD2 LEU 27 2HD2 LEU 27 3.902 2.290 4.733 190 3HD2 LEU 27 3HD2 LEU 27 2.870 3.455 5.561 191 H TRP 28 H TRP 28 2.692 0.711 0.166 192 HA TRP 28 HA TRP 28 4.790 1.622 -1.582 193 1HB TRP 28 1HB TRP 28 4.461 -0.684 -0.361 194 2HB TRP 28 2HB TRP 28 3.580 -1.100 -1.833 195 HD1 TRP 28 HD1 TRP 28 6.625 1.150 -1.556 196 HE1 TRP 28 HE1 TRP 28 8.545 0.165 -2.983 197 HE3 TRP 28 HE3 TRP 28 4.456 -3.220 -3.005 198 HZ2 TRP 28 HZ2 TRP 28 9.071 -2.185 -4.536 199 HZ3 TRP 28 HZ3 TRP 28 5.677 -4.817 -4.455 200 HH2 TRP 28 HH2 TRP 28 7.979 -4.306 -5.222 201 H LEU 29 H LEU 29 1.594 1.976 -1.964 202 HA LEU 29 HA LEU 29 1.466 1.140 -4.780 203 1HB LEU 29 1HB LEU 29 -0.614 0.746 -3.884 204 2HB LEU 29 2HB LEU 29 -0.433 1.994 -2.659 205 HG LEU 29 HG LEU 29 -0.656 3.647 -4.672 206 1HD1 LEU 29 1HD1 LEU 29 -0.531 1.616 -6.275 207 2HD1 LEU 29 2HD1 LEU 29 -2.207 1.325 -5.807 208 3HD1 LEU 29 3HD1 LEU 29 -1.762 2.839 -6.596 209 1HD2 LEU 29 1HD2 LEU 29 -2.306 2.854 -2.739 210 2HD2 LEU 29 2HD2 LEU 29 -2.853 3.923 -4.033 211 3HD2 LEU 29 3HD2 LEU 29 -3.200 2.195 -4.112 212 H PHE 30 H PHE 30 0.863 4.193 -2.989 213 HA PHE 30 HA PHE 30 1.217 5.754 -5.340 214 1HB PHE 30 1HB PHE 30 0.548 6.217 -2.542 215 2HB PHE 30 2HB PHE 30 1.565 7.491 -3.218 216 HD1 PHE 30 HD1 PHE 30 -0.776 5.435 -5.213 217 HD2 PHE 30 HD2 PHE 30 -0.118 9.224 -3.300 218 HE1 PHE 30 HE1 PHE 30 -2.738 6.376 -6.403 219 HE2 PHE 30 HE2 PHE 30 -2.080 10.165 -4.490 220 HZ PHE 30 HZ PHE 30 -3.390 8.741 -6.042 221 H SER 31 H SER 31 3.381 4.145 -3.462 222 HA SER 31 HA SER 31 5.549 6.147 -3.787 223 1HB SER 31 1HB SER 31 5.855 5.233 -1.681 224 2HB SER 31 2HB SER 31 5.168 3.678 -2.141 225 HG SER 31 HG SER 31 7.690 4.718 -2.944 226 H ALA 32 H ALA 32 4.167 3.516 -5.383 227 HA ALA 32 HA ALA 32 6.684 2.980 -6.919 228 1HB ALA 32 1HB ALA 32 4.126 1.354 -6.630 229 2HB ALA 32 2HB ALA 32 5.704 0.948 -5.951 230 3HB ALA 32 3HB ALA 32 5.464 0.927 -7.699 231 H VAL 33 H VAL 33 3.140 3.312 -7.354 232 HA VAL 33 HA VAL 33 3.105 3.752 -10.129 233 HB VAL 33 HB VAL 33 1.528 5.218 -8.048 234 1HG1 VAL 33 1HG1 VAL 33 1.671 5.824 -10.649 235 2HG1 VAL 33 2HG1 VAL 33 0.455 4.544 -10.743 236 3HG1 VAL 33 3HG1 VAL 33 0.161 5.968 -9.743 237 1HG2 VAL 33 1HG2 VAL 33 1.524 2.435 -8.826 238 2HG2 VAL 33 2HG2 VAL 33 0.580 3.229 -7.564 239 3HG2 VAL 33 3HG2 VAL 33 -0.028 3.175 -9.219 240 H ALA 34 H ALA 34 3.570 6.075 -7.455 241 HA ALA 34 HA ALA 34 3.800 8.438 -8.958 242 1HB ALA 34 1HB ALA 34 5.059 7.446 -6.435 243 2HB ALA 34 2HB ALA 34 5.757 8.874 -7.210 244 3HB ALA 34 3HB ALA 34 4.065 8.885 -6.700 245 H ILE 35 H ILE 35 6.420 6.301 -7.915 246 HA ILE 35 HA ILE 35 8.567 7.285 -9.293 247 HB ILE 35 HB ILE 35 8.111 4.364 -9.594 248 1HG1 ILE 35 1HG1 ILE 35 8.194 5.796 -6.950 249 2HG1 ILE 35 2HG1 ILE 35 7.042 4.586 -7.523 250 1HG2 ILE 35 1HG2 ILE 35 10.175 6.051 -9.834 251 2HG2 ILE 35 2HG2 ILE 35 10.353 5.610 -8.137 252 3HG2 ILE 35 3HG2 ILE 35 10.381 4.355 -9.379 253 1HD1 ILE 35 1HD1 ILE 35 9.245 3.111 -7.754 254 2HD1 ILE 35 2HD1 ILE 35 9.833 4.215 -6.510 255 3HD1 ILE 35 3HD1 ILE 35 8.397 3.236 -6.213 256 H VAL 36 H VAL 36 5.817 5.509 -10.522 257 HA VAL 36 HA VAL 36 6.911 5.202 -13.183 258 HB VAL 36 HB VAL 36 3.982 5.265 -12.437 259 1HG1 VAL 36 1HG1 VAL 36 5.452 4.754 -14.822 260 2HG1 VAL 36 2HG1 VAL 36 4.798 3.210 -14.272 261 3HG1 VAL 36 3HG1 VAL 36 3.716 4.572 -14.562 262 1HG2 VAL 36 1HG2 VAL 36 5.667 3.787 -10.983 263 2HG2 VAL 36 2HG2 VAL 36 4.126 3.120 -11.534 264 3HG2 VAL 36 3HG2 VAL 36 5.609 2.741 -12.406 265 H ALA 37 H ALA 37 4.562 7.441 -11.719 266 HA ALA 37 HA ALA 37 4.027 9.078 -13.850 267 1HB ALA 37 1HB ALA 37 4.678 10.281 -11.174 268 2HB ALA 37 2HB ALA 37 3.274 9.223 -11.346 269 3HB ALA 37 3HB ALA 37 3.383 10.711 -12.291 270 H HIS 38 H HIS 38 6.984 8.796 -11.922 271 HA HIS 38 HA HIS 38 8.195 11.138 -13.171 272 1HB HIS 38 1HB HIS 38 9.360 8.899 -11.496 273 2HB HIS 38 2HB HIS 38 10.287 10.292 -12.056 274 HD1 HIS 38 HD1 HIS 38 10.281 10.322 -9.172 275 HD2 HIS 38 HD2 HIS 38 6.953 11.738 -11.245 276 HE1 HIS 38 HE1 HIS 38 9.017 11.817 -7.564 277 H LEU 39 H LEU 39 8.404 7.624 -13.592 278 HA LEU 39 HA LEU 39 10.249 7.943 -15.849 279 1HB LEU 39 1HB LEU 39 10.458 5.581 -15.830 280 2HB LEU 39 2HB LEU 39 8.916 5.373 -15.001 281 HG LEU 39 HG LEU 39 10.002 6.683 -13.060 282 1HD1 LEU 39 1HD1 LEU 39 10.494 3.881 -13.935 283 2HD1 LEU 39 2HD1 LEU 39 11.463 4.468 -12.583 284 3HD1 LEU 39 3HD1 LEU 39 9.702 4.482 -12.478 285 1HD2 LEU 39 1HD2 LEU 39 11.942 7.457 -14.456 286 2HD2 LEU 39 2HD2 LEU 39 12.435 6.635 -12.976 287 3HD2 LEU 39 3HD2 LEU 39 12.507 5.787 -14.520 288 H ALA 40 H ALA 40 7.209 6.115 -15.467 289 HA ALA 40 HA ALA 40 6.384 5.720 -18.008 290 1HB ALA 40 1HB ALA 40 4.744 5.097 -16.518 291 2HB ALA 40 2HB ALA 40 4.877 6.590 -15.586 292 3HB ALA 40 3HB ALA 40 4.023 6.586 -17.130 293 H VAL 41 H VAL 41 6.474 8.904 -16.438 294 HA VAL 41 HA VAL 41 5.153 10.243 -18.643 295 HB VAL 41 HB VAL 41 6.792 11.250 -16.309 296 1HG1 VAL 41 1HG1 VAL 41 6.138 12.581 -18.773 297 2HG1 VAL 41 2HG1 VAL 41 5.216 13.316 -17.462 298 3HG1 VAL 41 3HG1 VAL 41 6.975 13.231 -17.364 299 1HG2 VAL 41 1HG2 VAL 41 4.417 10.225 -16.079 300 2HG2 VAL 41 2HG2 VAL 41 4.704 11.804 -15.345 301 3HG2 VAL 41 3HG2 VAL 41 3.863 11.690 -16.890 302 H TYR 42 H TYR 42 8.547 10.081 -17.531 303 HA TYR 42 HA TYR 42 9.461 11.303 -20.029 304 1HB TYR 42 1HB TYR 42 11.092 10.099 -17.778 305 2HB TYR 42 2HB TYR 42 11.682 11.174 -19.046 306 HD1 TYR 42 HD1 TYR 42 9.345 13.076 -19.168 307 HD2 TYR 42 HD2 TYR 42 11.486 11.421 -15.832 308 HE1 TYR 42 HE1 TYR 42 8.723 15.044 -17.792 309 HE2 TYR 42 HE2 TYR 42 10.864 13.389 -14.457 310 HH TYR 42 HH TYR 42 9.710 15.280 -14.373 311 H ILE 43 H ILE 43 8.214 8.443 -19.562 312 HA ILE 43 HA ILE 43 10.346 6.891 -20.952 313 HB ILE 43 HB ILE 43 7.952 6.092 -19.289 314 1HG1 ILE 43 1HG1 ILE 43 10.914 5.438 -19.169 315 2HG1 ILE 43 2HG1 ILE 43 10.060 6.564 -18.112 316 1HG2 ILE 43 1HG2 ILE 43 8.046 4.700 -21.371 317 2HG2 ILE 43 2HG2 ILE 43 9.694 4.239 -20.942 318 3HG2 ILE 43 3HG2 ILE 43 8.348 3.773 -19.901 319 1HD1 ILE 43 1HD1 ILE 43 9.009 3.773 -18.333 320 2HD1 ILE 43 2HD1 ILE 43 10.467 4.038 -17.377 321 3HD1 ILE 43 3HD1 ILE 43 8.974 4.878 -16.959 322 H TRP 44 H TRP 44 7.136 8.220 -21.275 323 HA TRP 44 HA TRP 44 6.541 6.644 -23.678 324 1HB TRP 44 1HB TRP 44 5.109 8.650 -22.012 325 2HB TRP 44 2HB TRP 44 4.650 8.563 -23.713 326 HD1 TRP 44 HD1 TRP 44 5.033 6.254 -20.644 327 HE1 TRP 44 HE1 TRP 44 3.371 4.300 -20.894 328 HE3 TRP 44 HE3 TRP 44 3.139 7.290 -25.274 329 HZ2 TRP 44 HZ2 TRP 44 1.487 3.307 -22.803 330 HZ3 TRP 44 HZ3 TRP 44 1.414 5.825 -26.282 331 HH2 TRP 44 HH2 TRP 44 0.586 3.836 -25.054 332 H ARG 45 H ARG 45 8.680 8.985 -23.174 333 HA ARG 45 HA ARG 45 8.031 10.721 -25.435 334 1HB ARG 45 1HB ARG 45 9.844 10.806 -23.195 335 2HB ARG 45 2HB ARG 45 10.709 11.145 -24.695 336 1HG ARG 45 1HG ARG 45 8.349 12.576 -24.987 337 2HG ARG 45 2HG ARG 45 9.908 13.251 -24.512 338 1HD ARG 45 1HD ARG 45 8.589 12.002 -22.248 339 2HD ARG 45 2HD ARG 45 9.163 13.660 -22.422 340 HE ARG 45 HE ARG 45 6.836 13.651 -23.898 341 1HH1 ARG 45 1HH1 ARG 45 5.261 11.823 -22.629 342 2HH1 ARG 45 2HH1 ARG 45 4.785 12.508 -21.111 343 1HH2 ARG 45 1HH2 ARG 45 7.286 14.910 -21.109 344 2HH2 ARG 45 2HH2 ARG 45 5.932 14.256 -20.250 345 1HB PRO 46 1HB PRO 46 12.813 6.332 -25.860 346 2HB PRO 46 2HB PRO 46 13.349 8.016 -25.729 347 1HG PRO 46 1HG PRO 46 12.731 7.841 -23.514 348 2HG PRO 46 2HG PRO 46 11.722 6.417 -23.819 349 1HD PRO 46 1HD PRO 46 9.890 7.792 -23.759 350 2HD PRO 46 2HD PRO 46 10.916 9.235 -23.668 351 H TRP 47 H TRP 47 11.469 6.693 -28.828 352 HA TRP 47 HA TRP 47 9.908 4.305 -28.073 353 1HB TRP 47 1HB TRP 47 8.870 6.521 -29.762 354 2HB TRP 47 2HB TRP 47 8.586 4.886 -30.360 355 HD1 TRP 47 HD1 TRP 47 8.066 6.967 -27.148 356 HE1 TRP 47 HE1 TRP 47 5.987 6.056 -25.927 357 HE3 TRP 47 HE3 TRP 47 6.944 2.999 -30.160 358 HZ2 TRP 47 HZ2 TRP 47 4.097 3.925 -26.193 359 HZ3 TRP 47 HZ3 TRP 47 5.001 1.547 -29.654 360 HH2 TRP 47 HH2 TRP 47 3.577 2.004 -27.676 361 H PHE 48 H PHE 48 11.298 6.116 -30.828 362 HA PHE 48 HA PHE 48 12.552 5.343 -32.658 363 1HB PHE 48 1HB PHE 48 13.772 4.527 -30.304 364 2HB PHE 48 2HB PHE 48 13.684 3.038 -31.247 365 HD1 PHE 48 HD1 PHE 48 14.213 3.461 -33.884 366 HD2 PHE 48 HD2 PHE 48 15.681 5.817 -30.606 367 HE1 PHE 48 HE1 PHE 48 16.103 4.239 -35.289 368 HE2 PHE 48 HE2 PHE 48 17.571 6.594 -32.011 369 HZ PHE 48 HZ PHE 48 17.782 5.805 -34.353 No H/Q in entry = 369 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -26.327 17.491 16.499 2 H2 ALA 1 H2 ALA 1 -25.391 18.799 15.951 3 H3 ALA 1 H3 ALA 1 -26.988 18.606 15.405 4 HA ALA 1 HA ALA 1 -26.166 17.551 13.650 5 1HB ALA 1 1HB ALA 1 -23.620 17.418 15.288 6 2HB ALA 1 2HB ALA 1 -23.984 18.528 13.966 7 3HB ALA 1 3HB ALA 1 -23.744 16.812 13.637 8 H ASP 2 H ASP 2 -27.837 16.033 14.850 9 HA ASP 2 HA ASP 2 -26.502 13.375 15.111 10 1HB ASP 2 1HB ASP 2 -27.977 14.812 17.144 11 2HB ASP 2 2HB ASP 2 -28.806 13.309 16.739 12 H LYS 3 H LYS 3 -28.468 15.145 13.264 13 HA LYS 3 HA LYS 3 -30.346 12.878 12.736 14 1HB LYS 3 1HB LYS 3 -30.769 15.732 12.989 15 2HB LYS 3 2HB LYS 3 -31.268 15.177 11.390 16 1HG LYS 3 1HG LYS 3 -32.664 13.433 12.404 17 2HG LYS 3 2HG LYS 3 -32.133 13.924 14.013 18 1HD LYS 3 1HD LYS 3 -33.438 15.886 12.129 19 2HD LYS 3 2HD LYS 3 -34.399 14.846 13.181 20 1HE LYS 3 1HE LYS 3 -32.353 15.920 14.807 21 2HE LYS 3 2HE LYS 3 -32.972 17.264 13.848 22 1HZ LYS 3 1HZ LYS 3 -35.228 15.995 14.550 23 2HZ LYS 3 2HZ LYS 3 -34.264 15.728 15.924 24 3HZ LYS 3 3HZ LYS 3 -34.571 17.313 15.392 25 H SER 4 H SER 4 -27.742 14.724 11.513 26 HA SER 4 HA SER 4 -28.352 14.094 8.692 27 1HB SER 4 1HB SER 4 -25.788 15.299 9.734 28 2HB SER 4 2HB SER 4 -26.506 15.471 8.134 29 HG SER 4 HG SER 4 -27.462 17.164 8.910 30 H ASP 5 H ASP 5 -26.471 12.860 11.346 31 HA ASP 5 HA ASP 5 -24.553 11.353 9.835 32 1HB ASP 5 1HB ASP 5 -24.379 11.803 12.289 33 2HB ASP 5 2HB ASP 5 -24.199 10.093 11.894 34 H LEU 6 H LEU 6 -27.890 10.735 10.773 35 HA LEU 6 HA LEU 6 -27.894 7.923 10.151 36 1HB LEU 6 1HB LEU 6 -30.295 8.083 10.261 37 2HB LEU 6 2HB LEU 6 -30.239 9.833 10.009 38 HG LEU 6 HG LEU 6 -28.587 9.620 12.106 39 1HD1 LEU 6 1HD1 LEU 6 -30.856 10.884 11.717 40 2HD1 LEU 6 2HD1 LEU 6 -31.545 9.559 12.656 41 3HD1 LEU 6 3HD1 LEU 6 -30.309 10.596 13.369 42 1HD2 LEU 6 1HD2 LEU 6 -29.053 7.111 12.110 43 2HD2 LEU 6 2HD2 LEU 6 -29.282 7.934 13.653 44 3HD2 LEU 6 3HD2 LEU 6 -30.680 7.509 12.665 45 H GLY 7 H GLY 7 -28.662 10.847 8.339 46 1HA GLY 7 1HA GLY 7 -29.646 9.687 5.957 47 2HA GLY 7 2HA GLY 7 -28.771 11.219 6.015 48 H TYR 8 H TYR 8 -26.360 9.929 7.160 49 HA TYR 8 HA TYR 8 -25.303 8.879 4.667 50 1HB TYR 8 1HB TYR 8 -23.914 9.846 7.150 51 2HB TYR 8 2HB TYR 8 -23.087 9.216 5.724 52 HD1 TYR 8 HD1 TYR 8 -25.877 11.567 6.461 53 HD2 TYR 8 HD2 TYR 8 -22.292 10.803 4.256 54 HE1 TYR 8 HE1 TYR 8 -26.065 13.810 5.390 55 HE2 TYR 8 HE2 TYR 8 -22.456 13.031 3.183 56 HH TYR 8 HH TYR 8 -23.949 15.452 4.194 57 H THR 9 H THR 9 -24.280 8.228 7.935 58 HA THR 9 HA THR 9 -23.651 6.221 8.950 59 HB THR 9 HB THR 9 -26.284 5.215 7.954 60 HG1 THR 9 HG1 THR 9 -26.467 7.478 8.320 61 1HG2 THR 9 1HG2 THR 9 -24.568 4.992 10.368 62 2HG2 THR 9 2HG2 THR 9 -26.312 4.989 10.632 63 3HG2 THR 9 3HG2 THR 9 -25.575 3.768 9.594 64 H GLY 10 H GLY 10 -25.625 4.635 6.438 65 1HA GLY 10 1HA GLY 10 -23.496 2.746 5.904 66 2HA GLY 10 2HA GLY 10 -25.007 2.876 5.000 67 H LEU 11 H LEU 11 -24.944 5.391 3.958 68 HA LEU 11 HA LEU 11 -23.183 5.173 1.795 69 1HB LEU 11 1HB LEU 11 -25.327 6.840 2.544 70 2HB LEU 11 2HB LEU 11 -24.517 6.795 0.984 71 HG LEU 11 HG LEU 11 -23.261 8.372 3.187 72 1HD1 LEU 11 1HD1 LEU 11 -22.370 7.929 0.777 73 2HD1 LEU 11 2HD1 LEU 11 -23.585 9.110 0.286 74 3HD1 LEU 11 3HD1 LEU 11 -22.305 9.575 1.406 75 1HD2 LEU 11 1HD2 LEU 11 -25.905 8.790 2.676 76 2HD2 LEU 11 2HD2 LEU 11 -24.792 10.069 3.160 77 3HD2 LEU 11 3HD2 LEU 11 -25.170 9.828 1.455 78 H THR 12 H THR 12 -22.833 7.075 4.812 79 HA THR 12 HA THR 12 -20.555 8.452 4.167 80 HB THR 12 HB THR 12 -21.698 7.397 6.671 81 HG1 THR 12 HG1 THR 12 -20.935 9.682 5.442 82 1HG2 THR 12 1HG2 THR 12 -18.744 7.691 6.305 83 2HG2 THR 12 2HG2 THR 12 -19.449 8.376 7.770 84 3HG2 THR 12 3HG2 THR 12 -19.637 6.658 7.421 85 H ASP 13 H ASP 13 -20.326 5.621 6.044 86 HA ASP 13 HA ASP 13 -17.786 4.826 5.771 87 1HB ASP 13 1HB ASP 13 -20.304 3.275 5.840 88 2HB ASP 13 2HB ASP 13 -18.861 2.390 5.342 89 H GLU 14 H GLU 14 -20.053 4.774 3.071 90 HA GLU 14 HA GLU 14 -18.046 3.335 1.503 91 1HB GLU 14 1HB GLU 14 -20.809 3.802 1.224 92 2HB GLU 14 2HB GLU 14 -20.025 4.594 -0.144 93 1HG GLU 14 1HG GLU 14 -18.642 2.356 -0.265 94 2HG GLU 14 2HG GLU 14 -20.024 1.691 0.610 95 H GLN 15 H GLN 15 -19.372 6.665 1.555 96 HA GLN 15 HA GLN 15 -17.663 7.621 -0.531 97 1HB GLN 15 1HB GLN 15 -18.546 9.306 1.763 98 2HB GLN 15 2HB GLN 15 -18.366 9.765 0.071 99 1HG GLN 15 1HG GLN 15 -20.243 7.706 0.022 100 2HG GLN 15 2HG GLN 15 -20.672 8.639 1.456 101 2HE2 GLN 15 2HE2 GLN 15 -19.713 11.219 0.419 102 1HE2 GLN 15 1HE2 GLN 15 -20.791 11.687 -0.806 103 H ALA 16 H ALA 16 -17.469 7.463 2.905 104 HA ALA 16 HA ALA 16 -15.044 8.750 3.410 105 1HB ALA 16 1HB ALA 16 -15.619 7.971 5.461 106 2HB ALA 16 2HB ALA 16 -16.755 6.832 4.731 107 3HB ALA 16 3HB ALA 16 -15.064 6.373 4.959 108 H GLN 17 H GLN 17 -15.812 5.690 1.897 109 HA GLN 17 HA GLN 17 -12.964 4.901 1.773 110 1HB GLN 17 1HB GLN 17 -15.496 3.657 0.705 111 2HB GLN 17 2HB GLN 17 -13.890 3.027 0.338 112 1HG GLN 17 1HG GLN 17 -13.505 3.040 2.887 113 2HG GLN 17 2HG GLN 17 -15.255 3.209 3.016 114 2HE2 GLN 17 2HE2 GLN 17 -13.825 0.850 3.923 115 1HE2 GLN 17 1HE2 GLN 17 -14.326 -0.454 2.960 116 H GLU 18 H GLU 18 -15.390 6.422 -0.240 117 HA GLU 18 HA GLU 18 -14.318 6.152 -2.804 118 1HB GLU 18 1HB GLU 18 -16.115 7.954 -1.504 119 2HB GLU 18 2HB GLU 18 -14.955 8.924 -2.410 120 1HG GLU 18 1HG GLU 18 -16.006 8.402 -4.326 121 2HG GLU 18 2HG GLU 18 -15.695 6.690 -4.033 122 H LEU 19 H LEU 19 -13.060 7.721 -0.001 123 HA LEU 19 HA LEU 19 -10.803 8.821 -1.595 124 1HB LEU 19 1HB LEU 19 -10.459 10.399 0.130 125 2HB LEU 19 2HB LEU 19 -12.204 10.364 -0.087 126 HG LEU 19 HG LEU 19 -11.831 8.382 1.767 127 1HD1 LEU 19 1HD1 LEU 19 -9.412 9.884 1.714 128 2HD1 LEU 19 2HD1 LEU 19 -10.263 10.320 3.197 129 3HD1 LEU 19 3HD1 LEU 19 -9.880 8.630 2.864 130 1HD2 LEU 19 1HD2 LEU 19 -12.317 11.351 2.145 131 2HD2 LEU 19 2HD2 LEU 19 -13.534 10.087 1.956 132 3HD2 LEU 19 3HD2 LEU 19 -12.556 10.159 3.423 133 H HIS 20 H HIS 20 -11.752 6.672 0.977 134 HA HIS 20 HA HIS 20 -8.993 6.173 1.800 135 1HB HIS 20 1HB HIS 20 -11.602 5.746 2.898 136 2HB HIS 20 2HB HIS 20 -10.709 4.231 2.878 137 HD1 HIS 20 HD1 HIS 20 -8.598 4.056 4.358 138 HD2 HIS 20 HD2 HIS 20 -10.410 7.807 4.457 139 HE1 HIS 20 HE1 HIS 20 -7.511 5.324 6.267 140 H SER 21 H SER 21 -11.495 3.716 1.170 141 HA SER 21 HA SER 21 -10.022 1.578 0.508 142 1HB SER 21 1HB SER 21 -12.366 2.547 -1.113 143 2HB SER 21 2HB SER 21 -11.679 0.937 -1.243 144 HG SER 21 HG SER 21 -12.683 0.402 0.528 145 H VAL 22 H VAL 22 -11.210 3.533 -2.073 146 HA VAL 22 HA VAL 22 -9.711 2.792 -4.166 147 HB VAL 22 HB VAL 22 -11.184 4.520 -4.647 148 1HG1 VAL 22 1HG1 VAL 22 -10.542 5.288 -1.928 149 2HG1 VAL 22 2HG1 VAL 22 -10.546 6.710 -2.973 150 3HG1 VAL 22 3HG1 VAL 22 -11.977 5.680 -2.879 151 1HG2 VAL 22 1HG2 VAL 22 -8.541 5.970 -4.296 152 2HG2 VAL 22 2HG2 VAL 22 -9.082 5.128 -5.748 153 3HG2 VAL 22 3HG2 VAL 22 -9.912 6.590 -5.216 154 H TYR 23 H TYR 23 -8.711 5.150 -1.720 155 HA TYR 23 HA TYR 23 -6.121 5.793 -2.562 156 1HB TYR 23 1HB TYR 23 -7.636 6.284 -0.326 157 2HB TYR 23 2HB TYR 23 -6.352 5.282 0.327 158 HD1 TYR 23 HD1 TYR 23 -3.975 5.918 -1.043 159 HD2 TYR 23 HD2 TYR 23 -7.206 8.546 0.005 160 HE1 TYR 23 HE1 TYR 23 -2.422 7.859 -1.094 161 HE2 TYR 23 HE2 TYR 23 -5.666 10.478 -0.035 162 HH TYR 23 HH TYR 23 -3.348 10.951 -1.311 163 H MET 24 H MET 24 -6.718 3.474 0.078 164 HA MET 24 HA MET 24 -4.326 2.307 0.420 165 1HB MET 24 1HB MET 24 -5.383 0.391 1.236 166 2HB MET 24 2HB MET 24 -6.688 1.577 1.288 167 1HG MET 24 1HG MET 24 -7.098 0.686 -1.197 168 2HG MET 24 2HG MET 24 -6.305 -0.750 -0.554 169 1HE MET 24 1HE MET 24 -8.257 -2.039 -1.149 170 2HE MET 24 2HE MET 24 -9.845 -2.016 -0.386 171 3HE MET 24 3HE MET 24 -9.431 -0.789 -1.583 172 H SER 25 H SER 25 -6.278 1.766 -2.486 173 HA SER 25 HA SER 25 -4.621 -0.332 -3.561 174 1HB SER 25 1HB SER 25 -6.925 0.222 -4.385 175 2HB SER 25 2HB SER 25 -6.280 1.705 -5.081 176 HG SER 25 HG SER 25 -5.104 -0.791 -5.648 177 H GLY 26 H GLY 26 -4.875 3.028 -4.766 178 1HA GLY 26 1HA GLY 26 -2.202 2.888 -5.922 179 2HA GLY 26 2HA GLY 26 -3.252 4.301 -5.909 180 H LEU 27 H LEU 27 -2.848 2.901 -2.827 181 HA LEU 27 HA LEU 27 -1.277 5.206 -1.965 182 1HB LEU 27 1HB LEU 27 -3.305 3.746 -0.836 183 2HB LEU 27 2HB LEU 27 -1.890 3.095 -0.011 184 HG LEU 27 HG LEU 27 -2.198 6.071 -0.299 185 1HD1 LEU 27 1HD1 LEU 27 -4.339 5.070 0.641 186 2HD1 LEU 27 2HD1 LEU 27 -3.371 4.462 1.984 187 3HD1 LEU 27 3HD1 LEU 27 -3.508 6.198 1.712 188 1HD2 LEU 27 1HD2 LEU 27 -0.176 4.613 0.656 189 2HD2 LEU 27 2HD2 LEU 27 -0.625 6.147 1.400 190 3HD2 LEU 27 3HD2 LEU 27 -1.169 4.628 2.113 191 H TRP 28 H TRP 28 -1.026 1.655 -1.480 192 HA TRP 28 HA TRP 28 1.700 1.785 -0.683 193 1HB TRP 28 1HB TRP 28 0.389 -0.122 0.000 194 2HB TRP 28 2HB TRP 28 -0.040 -0.475 -1.672 195 HD1 TRP 28 HD1 TRP 28 2.351 -0.695 -3.230 196 HE1 TRP 28 HE1 TRP 28 4.324 -2.297 -2.735 197 HE3 TRP 28 HE3 TRP 28 1.575 -1.476 1.731 198 HZ2 TRP 28 HZ2 TRP 28 5.410 -3.721 -0.496 199 HZ3 TRP 28 HZ3 TRP 28 3.081 -2.954 3.031 200 HH2 TRP 28 HH2 TRP 28 4.995 -4.077 1.925 201 H LEU 29 H LEU 29 0.081 1.631 -3.694 202 HA LEU 29 HA LEU 29 2.658 1.194 -5.090 203 1HB LEU 29 1HB LEU 29 0.811 2.005 -7.029 204 2HB LEU 29 2HB LEU 29 1.306 0.347 -6.696 205 HG LEU 29 HG LEU 29 -0.905 1.773 -5.261 206 1HD1 LEU 29 1HD1 LEU 29 -0.851 0.193 -7.790 207 2HD1 LEU 29 2HD1 LEU 29 -2.217 -0.056 -6.703 208 3HD1 LEU 29 3HD1 LEU 29 -1.881 1.552 -7.344 209 1HD2 LEU 29 1HD2 LEU 29 0.525 -0.672 -4.824 210 2HD2 LEU 29 2HD2 LEU 29 -0.818 -0.017 -3.886 211 3HD2 LEU 29 3HD2 LEU 29 -1.137 -1.072 -5.264 212 H PHE 30 H PHE 30 0.505 3.750 -4.063 213 HA PHE 30 HA PHE 30 1.115 5.873 -5.653 214 1HB PHE 30 1HB PHE 30 0.227 5.611 -3.012 215 2HB PHE 30 2HB PHE 30 1.657 6.637 -2.911 216 HD1 PHE 30 HD1 PHE 30 -0.662 6.405 -5.812 217 HD2 PHE 30 HD2 PHE 30 0.642 8.750 -2.458 218 HE1 PHE 30 HE1 PHE 30 -1.967 8.335 -6.655 219 HE2 PHE 30 HE2 PHE 30 -0.665 10.681 -3.301 220 HZ PHE 30 HZ PHE 30 -1.970 10.474 -5.399 221 H SER 31 H SER 31 3.146 4.155 -3.505 222 HA SER 31 HA SER 31 5.477 5.880 -3.744 223 1HB SER 31 1HB SER 31 4.799 3.529 -2.302 224 2HB SER 31 2HB SER 31 6.174 3.104 -3.320 225 HG SER 31 HG SER 31 6.462 4.195 -1.117 226 H ALA 32 H ALA 32 4.664 2.681 -5.173 227 HA ALA 32 HA ALA 32 6.742 2.782 -7.194 228 1HB ALA 32 1HB ALA 32 4.336 1.223 -7.863 229 2HB ALA 32 2HB ALA 32 6.010 0.692 -7.701 230 3HB ALA 32 3HB ALA 32 4.992 0.852 -6.269 231 H VAL 33 H VAL 33 3.161 2.871 -7.766 232 HA VAL 33 HA VAL 33 3.062 3.847 -10.321 233 HB VAL 33 HB VAL 33 1.568 4.878 -7.942 234 1HG1 VAL 33 1HG1 VAL 33 1.684 5.944 -10.570 235 2HG1 VAL 33 2HG1 VAL 33 0.113 5.151 -10.401 236 3HG1 VAL 33 3HG1 VAL 33 0.592 6.413 -9.262 237 1HG2 VAL 33 1HG2 VAL 33 1.474 2.391 -8.885 238 2HG2 VAL 33 2HG2 VAL 33 0.007 3.207 -8.339 239 3HG2 VAL 33 3HG2 VAL 33 0.387 3.130 -10.059 240 H ALA 34 H ALA 34 3.713 5.878 -7.425 241 HA ALA 34 HA ALA 34 3.922 8.362 -8.763 242 1HB ALA 34 1HB ALA 34 5.862 8.734 -7.043 243 2HB ALA 34 2HB ALA 34 4.202 8.577 -6.452 244 3HB ALA 34 3HB ALA 34 5.308 7.199 -6.369 245 H ILE 35 H ILE 35 6.553 6.141 -7.901 246 HA ILE 35 HA ILE 35 8.639 7.250 -9.306 247 HB ILE 35 HB ILE 35 8.310 4.329 -9.687 248 1HG1 ILE 35 1HG1 ILE 35 8.292 5.658 -6.990 249 2HG1 ILE 35 2HG1 ILE 35 7.266 4.365 -7.609 250 1HG2 ILE 35 1HG2 ILE 35 10.291 6.101 -9.891 251 2HG2 ILE 35 2HG2 ILE 35 10.491 5.660 -8.195 252 3HG2 ILE 35 3HG2 ILE 35 10.588 4.417 -9.444 253 1HD1 ILE 35 1HD1 ILE 35 9.847 3.343 -7.860 254 2HD1 ILE 35 2HD1 ILE 35 9.868 4.179 -6.306 255 3HD1 ILE 35 3HD1 ILE 35 8.678 2.913 -6.610 256 H VAL 36 H VAL 36 5.809 5.596 -10.495 257 HA VAL 36 HA VAL 36 6.870 5.296 -13.180 258 HB VAL 36 HB VAL 36 3.952 5.385 -12.399 259 1HG1 VAL 36 1HG1 VAL 36 5.402 4.862 -14.796 260 2HG1 VAL 36 2HG1 VAL 36 4.721 3.328 -14.248 261 3HG1 VAL 36 3HG1 VAL 36 3.665 4.712 -14.528 262 1HG2 VAL 36 1HG2 VAL 36 5.451 3.915 -10.875 263 2HG2 VAL 36 2HG2 VAL 36 4.091 3.114 -11.674 264 3HG2 VAL 36 3HG2 VAL 36 5.721 2.930 -12.316 265 H ALA 37 H ALA 37 4.633 7.572 -11.602 266 HA ALA 37 HA ALA 37 4.092 9.253 -13.710 267 1HB ALA 37 1HB ALA 37 4.813 10.403 -11.030 268 2HB ALA 37 2HB ALA 37 3.385 9.377 -11.184 269 3HB ALA 37 3HB ALA 37 3.505 10.870 -12.116 270 H HIS 38 H HIS 38 7.045 8.850 -11.805 271 HA HIS 38 HA HIS 38 8.320 11.163 -13.053 272 1HB HIS 38 1HB HIS 38 10.312 10.484 -11.829 273 2HB HIS 38 2HB HIS 38 9.598 8.908 -11.486 274 HD1 HIS 38 HD1 HIS 38 10.272 10.208 -8.984 275 HD2 HIS 38 HD2 HIS 38 6.748 11.230 -10.964 276 HE1 HIS 38 HE1 HIS 38 8.753 11.257 -7.249 277 H LEU 39 H LEU 39 8.301 7.671 -13.556 278 HA LEU 39 HA LEU 39 10.256 7.946 -15.742 279 1HB LEU 39 1HB LEU 39 10.302 5.538 -15.799 280 2HB LEU 39 2HB LEU 39 8.842 5.436 -14.816 281 HG LEU 39 HG LEU 39 10.084 6.566 -12.962 282 1HD1 LEU 39 1HD1 LEU 39 11.219 3.991 -14.083 283 2HD1 LEU 39 2HD1 LEU 39 11.568 4.586 -12.459 284 3HD1 LEU 39 3HD1 LEU 39 9.915 4.159 -12.905 285 1HD2 LEU 39 1HD2 LEU 39 11.768 7.700 -14.379 286 2HD2 LEU 39 2HD2 LEU 39 12.542 6.715 -13.137 287 3HD2 LEU 39 3HD2 LEU 39 12.461 6.133 -14.801 288 H ALA 40 H ALA 40 7.156 6.229 -15.402 289 HA ALA 40 HA ALA 40 6.340 5.836 -17.943 290 1HB ALA 40 1HB ALA 40 4.518 5.349 -16.705 291 2HB ALA 40 2HB ALA 40 4.949 6.537 -15.471 292 3HB ALA 40 3HB ALA 40 4.064 7.043 -16.911 293 H VAL 41 H VAL 41 6.591 9.042 -16.432 294 HA VAL 41 HA VAL 41 5.256 10.415 -18.589 295 HB VAL 41 HB VAL 41 7.124 11.358 -16.409 296 1HG1 VAL 41 1HG1 VAL 41 5.701 12.889 -18.597 297 2HG1 VAL 41 2HG1 VAL 41 6.226 13.653 -17.098 298 3HG1 VAL 41 3HG1 VAL 41 7.415 12.934 -18.185 299 1HG2 VAL 41 1HG2 VAL 41 4.729 10.497 -15.958 300 2HG2 VAL 41 2HG2 VAL 41 5.142 12.094 -15.329 301 3HG2 VAL 41 3HG2 VAL 41 4.187 11.947 -16.805 302 H TYR 42 H TYR 42 8.735 10.395 -17.693 303 HA TYR 42 HA TYR 42 9.444 11.343 -20.358 304 1HB TYR 42 1HB TYR 42 11.223 10.387 -18.100 305 2HB TYR 42 2HB TYR 42 11.754 11.261 -19.537 306 HD1 TYR 42 HD1 TYR 42 10.920 13.608 -19.940 307 HD2 TYR 42 HD2 TYR 42 10.270 11.527 -16.242 308 HE1 TYR 42 HE1 TYR 42 10.405 15.761 -18.821 309 HE2 TYR 42 HE2 TYR 42 9.753 13.679 -15.120 310 HH TYR 42 HH TYR 42 9.466 16.677 -16.947 311 H ILE 43 H ILE 43 8.352 8.466 -19.512 312 HA ILE 43 HA ILE 43 10.418 6.905 -20.986 313 HB ILE 43 HB ILE 43 8.284 6.173 -18.990 314 1HG1 ILE 43 1HG1 ILE 43 11.259 5.724 -19.316 315 2HG1 ILE 43 2HG1 ILE 43 10.426 6.601 -18.032 316 1HG2 ILE 43 1HG2 ILE 43 9.679 4.270 -20.901 317 2HG2 ILE 43 2HG2 ILE 43 8.706 3.782 -19.513 318 3HG2 ILE 43 3HG2 ILE 43 7.952 4.623 -20.868 319 1HD1 ILE 43 1HD1 ILE 43 9.316 4.419 -17.391 320 2HD1 ILE 43 2HD1 ILE 43 10.397 3.613 -18.528 321 3HD1 ILE 43 3HD1 ILE 43 11.059 4.460 -17.130 322 H TRP 44 H TRP 44 7.160 8.115 -21.179 323 HA TRP 44 HA TRP 44 6.563 6.332 -23.469 324 1HB TRP 44 1HB TRP 44 4.905 8.278 -21.864 325 2HB TRP 44 2HB TRP 44 4.317 7.579 -23.372 326 HD1 TRP 44 HD1 TRP 44 6.039 6.182 -20.188 327 HE1 TRP 44 HE1 TRP 44 4.830 4.004 -19.522 328 HE3 TRP 44 HE3 TRP 44 2.531 5.950 -23.893 329 HZ2 TRP 44 HZ2 TRP 44 2.662 2.379 -20.440 330 HZ3 TRP 44 HZ3 TRP 44 0.909 4.080 -23.973 331 HH2 TRP 44 HH2 TRP 44 0.970 2.295 -22.252 332 H ARG 45 H ARG 45 8.299 9.010 -23.140 333 HA ARG 45 HA ARG 45 7.142 10.558 -25.345 334 1HB ARG 45 1HB ARG 45 8.539 12.276 -24.747 335 2HB ARG 45 2HB ARG 45 9.858 11.194 -24.310 336 1HG ARG 45 1HG ARG 45 8.762 12.348 -22.346 337 2HG ARG 45 2HG ARG 45 8.753 10.587 -22.242 338 1HD ARG 45 1HD ARG 45 6.427 11.655 -23.670 339 2HD ARG 45 2HD ARG 45 6.491 10.501 -22.339 340 HE ARG 45 HE ARG 45 7.040 12.878 -21.083 341 1HH1 ARG 45 1HH1 ARG 45 5.598 14.310 -23.251 342 2HH1 ARG 45 2HH1 ARG 45 3.961 14.299 -22.686 343 1HH2 ARG 45 1HH2 ARG 45 4.501 11.781 -20.363 344 2HH2 ARG 45 2HH2 ARG 45 3.339 12.867 -21.051 345 1HB PRO 46 1HB PRO 46 12.600 7.106 -26.118 346 2HB PRO 46 2HB PRO 46 12.843 8.853 -25.942 347 1HG PRO 46 1HG PRO 46 12.356 8.518 -23.716 348 2HG PRO 46 2HG PRO 46 11.619 6.938 -24.029 349 1HD PRO 46 1HD PRO 46 9.561 7.928 -23.875 350 2HD PRO 46 2HD PRO 46 10.298 9.533 -23.725 351 H TRP 47 H TRP 47 8.455 7.501 -26.835 352 HA TRP 47 HA TRP 47 8.995 5.235 -28.610 353 1HB TRP 47 1HB TRP 47 8.249 3.504 -27.089 354 2HB TRP 47 2HB TRP 47 7.894 4.694 -25.837 355 HD1 TRP 47 HD1 TRP 47 9.939 5.805 -24.564 356 HE1 TRP 47 HE1 TRP 47 12.404 5.096 -24.309 357 HE3 TRP 47 HE3 TRP 47 10.249 2.331 -28.295 358 HZ2 TRP 47 HZ2 TRP 47 14.262 3.294 -25.525 359 HZ3 TRP 47 HZ3 TRP 47 12.377 1.134 -28.724 360 HH2 TRP 47 HH2 TRP 47 14.382 1.611 -27.346 361 H PHE 48 H PHE 48 6.588 6.557 -26.309 362 HA PHE 48 HA PHE 48 4.295 6.964 -26.596 363 1HB PHE 48 1HB PHE 48 5.540 8.237 -28.607 364 2HB PHE 48 2HB PHE 48 4.607 7.081 -29.559 365 HD1 PHE 48 HD1 PHE 48 2.072 6.787 -28.700 366 HD2 PHE 48 HD2 PHE 48 4.520 10.264 -28.090 367 HE1 PHE 48 HE1 PHE 48 0.035 8.165 -28.379 368 HE2 PHE 48 HE2 PHE 48 2.483 11.641 -27.768 369 HZ PHE 48 HZ PHE 48 0.241 10.591 -27.913 No H/Q in entry = 369 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 28.442 10.894 31.944 2 H2 ALA 1 H2 ALA 1 29.834 10.713 30.994 3 H3 ALA 1 H3 ALA 1 29.975 11.156 32.628 4 HA ALA 1 HA ALA 1 29.153 13.293 32.267 5 1HB ALA 1 1HB ALA 1 30.936 14.088 31.106 6 2HB ALA 1 2HB ALA 1 30.518 13.165 29.662 7 3HB ALA 1 3HB ALA 1 31.412 12.395 30.972 8 H ASP 2 H ASP 2 28.327 11.040 29.717 9 HA ASP 2 HA ASP 2 26.361 13.039 28.676 10 1HB ASP 2 1HB ASP 2 28.131 11.083 27.322 11 2HB ASP 2 2HB ASP 2 26.492 11.210 26.683 12 H LYS 3 H LYS 3 26.324 9.669 27.799 13 HA LYS 3 HA LYS 3 24.863 7.919 28.415 14 1HB LYS 3 1HB LYS 3 24.985 9.530 30.738 15 2HB LYS 3 2HB LYS 3 23.275 9.221 30.438 16 1HG LYS 3 1HG LYS 3 23.508 6.921 30.665 17 2HG LYS 3 2HG LYS 3 25.212 6.945 30.208 18 1HD LYS 3 1HD LYS 3 25.297 8.451 32.469 19 2HD LYS 3 2HD LYS 3 25.546 6.704 32.454 20 1HE LYS 3 1HE LYS 3 22.919 6.627 32.637 21 2HE LYS 3 2HE LYS 3 23.887 6.922 34.082 22 1HZ LYS 3 1HZ LYS 3 23.573 9.395 33.024 23 2HZ LYS 3 2HZ LYS 3 22.069 8.670 32.709 24 3HZ LYS 3 3HZ LYS 3 22.654 8.748 34.299 25 H SER 4 H SER 4 24.067 10.948 27.286 26 HA SER 4 HA SER 4 21.177 10.720 27.223 27 1HB SER 4 1HB SER 4 23.065 12.703 26.599 28 2HB SER 4 2HB SER 4 22.280 12.324 25.069 29 HG SER 4 HG SER 4 20.482 13.152 25.798 30 H ASP 5 H ASP 5 23.791 9.515 25.259 31 HA ASP 5 HA ASP 5 22.325 9.049 22.841 32 1HB ASP 5 1HB ASP 5 24.940 8.562 23.784 33 2HB ASP 5 2HB ASP 5 24.291 6.984 23.333 34 H LEU 6 H LEU 6 22.587 7.252 25.861 35 HA LEU 6 HA LEU 6 21.469 4.786 24.943 36 1HB LEU 6 1HB LEU 6 21.008 4.317 27.272 37 2HB LEU 6 2HB LEU 6 21.110 6.033 27.683 38 HG LEU 6 HG LEU 6 23.460 5.724 26.448 39 1HD1 LEU 6 1HD1 LEU 6 22.764 5.143 29.337 40 2HD1 LEU 6 2HD1 LEU 6 24.426 5.331 28.776 41 3HD1 LEU 6 3HD1 LEU 6 23.293 6.676 28.647 42 1HD2 LEU 6 1HD2 LEU 6 22.883 3.254 26.151 43 2HD2 LEU 6 2HD2 LEU 6 24.455 3.593 26.875 44 3HD2 LEU 6 3HD2 LEU 6 23.104 3.093 27.894 45 H GLY 7 H GLY 7 19.812 7.203 26.968 46 1HA GLY 7 1HA GLY 7 17.195 6.602 26.860 47 2HA GLY 7 2HA GLY 7 17.683 8.262 26.514 48 H TYR 8 H TYR 8 18.835 8.084 24.077 49 HA TYR 8 HA TYR 8 16.734 7.956 22.238 50 1HB TYR 8 1HB TYR 8 18.663 9.263 21.771 51 2HB TYR 8 2HB TYR 8 19.734 7.903 22.072 52 HD1 TYR 8 HD1 TYR 8 17.198 9.271 19.744 53 HD2 TYR 8 HD2 TYR 8 20.307 6.373 20.369 54 HE1 TYR 8 HE1 TYR 8 17.270 8.831 17.298 55 HE2 TYR 8 HE2 TYR 8 20.385 5.928 17.918 56 HH TYR 8 HH TYR 8 18.399 7.814 15.646 57 H THR 9 H THR 9 19.587 5.972 21.983 58 HA THR 9 HA THR 9 19.628 3.807 20.868 59 HB THR 9 HB THR 9 20.152 4.066 23.395 60 HG1 THR 9 HG1 THR 9 21.049 2.475 22.308 61 1HG2 THR 9 1HG2 THR 9 17.423 3.445 23.622 62 2HG2 THR 9 2HG2 THR 9 18.279 1.986 24.121 63 3HG2 THR 9 3HG2 THR 9 18.607 3.517 24.926 64 H GLY 10 H GLY 10 17.809 1.734 22.410 65 1HA GLY 10 1HA GLY 10 16.090 0.953 20.470 66 2HA GLY 10 2HA GLY 10 15.654 0.810 22.168 67 H LEU 11 H LEU 11 15.391 3.751 22.657 68 HA LEU 11 HA LEU 11 12.724 4.120 21.991 69 1HB LEU 11 1HB LEU 11 13.144 5.840 23.413 70 2HB LEU 11 2HB LEU 11 14.874 5.715 23.122 71 HG LEU 11 HG LEU 11 14.449 6.927 20.944 72 1HD1 LEU 11 1HD1 LEU 11 11.935 6.492 21.104 73 2HD1 LEU 11 2HD1 LEU 11 11.894 7.769 22.320 74 3HD1 LEU 11 3HD1 LEU 11 12.406 8.137 20.674 75 1HD2 LEU 11 1HD2 LEU 11 15.138 7.814 23.385 76 2HD2 LEU 11 2HD2 LEU 11 14.975 8.900 22.005 77 3HD2 LEU 11 3HD2 LEU 11 13.654 8.743 23.163 78 H THR 12 H THR 12 15.607 5.281 20.330 79 HA THR 12 HA THR 12 14.653 6.547 18.162 80 HB THR 12 HB THR 12 16.640 4.306 17.925 81 HG1 THR 12 HG1 THR 12 16.660 6.574 19.392 82 1HG2 THR 12 1HG2 THR 12 15.785 5.615 15.884 83 2HG2 THR 12 2HG2 THR 12 16.651 6.994 16.554 84 3HG2 THR 12 3HG2 THR 12 17.531 5.533 16.106 85 H ASP 13 H ASP 13 15.240 3.131 18.106 86 HA ASP 13 HA ASP 13 14.116 2.291 15.845 87 1HB ASP 13 1HB ASP 13 14.048 1.146 18.543 88 2HB ASP 13 2HB ASP 13 12.768 0.544 17.489 89 H GLU 14 H GLU 14 12.105 3.428 18.517 90 HA GLU 14 HA GLU 14 9.809 3.210 16.682 91 1HB GLU 14 1HB GLU 14 10.083 3.206 19.506 92 2HB GLU 14 2HB GLU 14 9.133 4.627 19.070 93 1HG GLU 14 1HG GLU 14 7.354 3.261 18.845 94 2HG GLU 14 2HG GLU 14 8.153 2.595 17.420 95 H GLN 15 H GLN 15 11.745 5.740 18.280 96 HA GLN 15 HA GLN 15 10.197 7.931 17.231 97 1HB GLN 15 1HB GLN 15 11.472 8.616 19.004 98 2HB GLN 15 2HB GLN 15 12.826 7.598 18.555 99 1HG GLN 15 1HG GLN 15 13.841 9.350 17.569 100 2HG GLN 15 2HG GLN 15 12.449 9.587 16.509 101 2HE2 GLN 15 2HE2 GLN 15 11.006 11.310 16.997 102 1HE2 GLN 15 1HE2 GLN 15 11.214 12.352 18.322 103 H ALA 16 H ALA 16 13.073 6.267 16.239 104 HA ALA 16 HA ALA 16 13.662 7.692 13.888 105 1HB ALA 16 1HB ALA 16 14.223 5.049 15.015 106 2HB ALA 16 2HB ALA 16 15.252 6.058 13.993 107 3HB ALA 16 3HB ALA 16 14.050 4.994 13.258 108 H GLN 17 H GLN 17 11.126 5.471 14.829 109 HA GLN 17 HA GLN 17 10.108 5.255 12.074 110 1HB GLN 17 1HB GLN 17 9.122 4.231 14.731 111 2HB GLN 17 2HB GLN 17 8.169 4.092 13.253 112 1HG GLN 17 1HG GLN 17 10.049 2.925 12.161 113 2HG GLN 17 2HG GLN 17 10.966 3.026 13.662 114 2HE2 GLN 17 2HE2 GLN 17 10.032 0.539 12.295 115 1HE2 GLN 17 1HE2 GLN 17 9.038 -0.261 13.415 116 H GLU 18 H GLU 18 9.576 7.208 14.925 117 HA GLU 18 HA GLU 18 6.989 8.190 14.441 118 1HB GLU 18 1HB GLU 18 9.303 9.047 15.924 119 2HB GLU 18 2HB GLU 18 8.621 10.436 15.077 120 1HG GLU 18 1HG GLU 18 6.855 10.508 16.474 121 2HG GLU 18 2HG GLU 18 6.519 8.795 16.222 122 H LEU 19 H LEU 19 9.929 8.585 12.645 123 HA LEU 19 HA LEU 19 8.597 10.550 10.831 124 1HB LEU 19 1HB LEU 19 10.741 11.283 10.200 125 2HB LEU 19 2HB LEU 19 11.531 9.874 10.871 126 HG LEU 19 HG LEU 19 11.699 12.053 12.214 127 1HD1 LEU 19 1HD1 LEU 19 9.009 12.187 11.859 128 2HD1 LEU 19 2HD1 LEU 19 9.077 11.371 13.426 129 3HD1 LEU 19 3HD1 LEU 19 9.842 12.944 13.220 130 1HD2 LEU 19 1HD2 LEU 19 11.764 9.415 12.888 131 2HD2 LEU 19 2HD2 LEU 19 12.100 10.727 14.026 132 3HD2 LEU 19 3HD2 LEU 19 10.493 10.001 13.970 133 H HIS 20 H HIS 20 9.624 7.346 11.109 134 HA HIS 20 HA HIS 20 9.794 7.093 8.206 135 1HB HIS 20 1HB HIS 20 11.043 5.696 10.516 136 2HB HIS 20 2HB HIS 20 10.870 4.859 8.985 137 HD1 HIS 20 HD1 HIS 20 13.656 5.571 9.814 138 HD2 HIS 20 HD2 HIS 20 11.282 8.177 7.655 139 HE1 HIS 20 HE1 HIS 20 15.255 7.157 8.648 140 H SER 21 H SER 21 8.916 4.732 10.808 141 HA SER 21 HA SER 21 7.244 3.144 9.374 142 1HB SER 21 1HB SER 21 6.631 4.222 12.117 143 2HB SER 21 2HB SER 21 5.781 2.881 11.373 144 HG SER 21 HG SER 21 7.451 1.621 11.733 145 H VAL 22 H VAL 22 5.841 5.593 11.347 146 HA VAL 22 HA VAL 22 3.428 5.868 10.144 147 HB VAL 22 HB VAL 22 3.768 7.130 12.098 148 1HG1 VAL 22 1HG1 VAL 22 6.430 7.276 11.122 149 2HG1 VAL 22 2HG1 VAL 22 5.902 8.946 11.336 150 3HG1 VAL 22 3HG1 VAL 22 5.844 7.820 12.693 151 1HG2 VAL 22 1HG2 VAL 22 3.018 8.505 9.796 152 2HG2 VAL 22 2HG2 VAL 22 2.818 9.082 11.450 153 3HG2 VAL 22 3HG2 VAL 22 4.242 9.549 10.520 154 H TYR 23 H TYR 23 6.337 7.756 9.378 155 HA TYR 23 HA TYR 23 5.262 9.026 7.029 156 1HB TYR 23 1HB TYR 23 7.446 9.314 8.791 157 2HB TYR 23 2HB TYR 23 8.127 9.090 7.187 158 HD1 TYR 23 HD1 TYR 23 6.936 10.419 5.278 159 HD2 TYR 23 HD2 TYR 23 6.870 11.423 9.442 160 HE1 TYR 23 HE1 TYR 23 6.427 12.798 4.700 161 HE2 TYR 23 HE2 TYR 23 6.378 13.784 8.896 162 HH TYR 23 HH TYR 23 6.362 14.918 5.537 163 H MET 24 H MET 24 8.393 7.387 7.082 164 HA MET 24 HA MET 24 8.647 6.816 4.456 165 1HB MET 24 1HB MET 24 9.988 5.995 6.776 166 2HB MET 24 2HB MET 24 9.490 4.479 6.021 167 1HG MET 24 1HG MET 24 10.396 5.466 3.828 168 2HG MET 24 2HG MET 24 11.169 6.687 4.839 169 1HE MET 24 1HE MET 24 12.952 6.728 5.612 170 2HE MET 24 2HE MET 24 13.406 5.610 6.896 171 3HE MET 24 3HE MET 24 14.267 5.585 5.351 172 H SER 25 H SER 25 6.392 5.195 6.608 173 HA SER 25 HA SER 25 5.961 2.883 4.926 174 1HB SER 25 1HB SER 25 5.235 2.958 7.298 175 2HB SER 25 2HB SER 25 4.050 4.193 6.885 176 HG SER 25 HG SER 25 4.118 1.465 6.263 177 H GLY 26 H GLY 26 3.845 5.747 5.436 178 1HA GLY 26 1HA GLY 26 2.277 5.188 3.074 179 2HA GLY 26 2HA GLY 26 2.283 6.712 3.965 180 H LEU 27 H LEU 27 5.378 6.440 3.503 181 HA LEU 27 HA LEU 27 5.329 7.990 1.006 182 1HB LEU 27 1HB LEU 27 7.038 7.824 3.410 183 2HB LEU 27 2HB LEU 27 7.882 8.159 1.894 184 HG LEU 27 HG LEU 27 6.042 9.941 1.506 185 1HD1 LEU 27 1HD1 LEU 27 5.611 9.138 4.372 186 2HD1 LEU 27 2HD1 LEU 27 5.343 10.816 3.892 187 3HD1 LEU 27 3HD1 LEU 27 4.418 9.522 3.131 188 1HD2 LEU 27 1HD2 LEU 27 8.302 10.059 3.483 189 2HD2 LEU 27 2HD2 LEU 27 8.170 10.819 1.898 190 3HD2 LEU 27 3HD2 LEU 27 7.273 11.475 3.267 191 H TRP 28 H TRP 28 6.017 4.860 2.115 192 HA TRP 28 HA TRP 28 8.052 4.270 0.136 193 1HB TRP 28 1HB TRP 28 8.204 3.118 2.261 194 2HB TRP 28 2HB TRP 28 6.537 2.567 2.115 195 HD1 TRP 28 HD1 TRP 28 6.190 1.231 -0.394 196 HE1 TRP 28 HE1 TRP 28 7.599 -0.769 -1.237 197 HE3 TRP 28 HE3 TRP 28 10.366 1.886 2.433 198 HZ2 TRP 28 HZ2 TRP 28 10.177 -1.926 -0.752 199 HZ3 TRP 28 HZ3 TRP 28 12.286 0.331 2.234 200 HH2 TRP 28 HH2 TRP 28 12.197 -1.572 0.646 201 H LEU 29 H LEU 29 4.677 4.245 0.467 202 HA LEU 29 HA LEU 29 4.205 2.473 -1.817 203 1HB LEU 29 1HB LEU 29 2.281 2.258 -0.646 204 2HB LEU 29 2HB LEU 29 2.647 3.671 0.332 205 HG LEU 29 HG LEU 29 1.872 5.037 -1.748 206 1HD1 LEU 29 1HD1 LEU 29 1.783 2.632 -2.959 207 2HD1 LEU 29 2HD1 LEU 29 0.132 2.697 -2.342 208 3HD1 LEU 29 3HD1 LEU 29 0.721 3.962 -3.420 209 1HD2 LEU 29 1HD2 LEU 29 0.700 4.510 0.534 210 2HD2 LEU 29 2HD2 LEU 29 -0.251 5.193 -0.788 211 3HD2 LEU 29 3HD2 LEU 29 -0.330 3.463 -0.445 212 H PHE 30 H PHE 30 3.895 5.960 -1.093 213 HA PHE 30 HA PHE 30 3.193 6.659 -3.748 214 1HB PHE 30 1HB PHE 30 3.845 8.085 -1.263 215 2HB PHE 30 2HB PHE 30 4.266 8.958 -2.737 216 HD1 PHE 30 HD1 PHE 30 1.447 6.847 -1.422 217 HD2 PHE 30 HD2 PHE 30 2.623 10.320 -3.661 218 HE1 PHE 30 HE1 PHE 30 -0.937 7.442 -1.752 219 HE2 PHE 30 HE2 PHE 30 0.238 10.914 -3.991 220 HZ PHE 30 HZ PHE 30 -1.542 9.476 -3.036 221 H SER 31 H SER 31 6.044 5.607 -2.428 222 HA SER 31 HA SER 31 7.810 7.139 -4.228 223 1HB SER 31 1HB SER 31 8.551 6.504 -1.916 224 2HB SER 31 2HB SER 31 8.478 4.810 -2.395 225 HG SER 31 HG SER 31 10.450 6.538 -2.754 226 H ALA 32 H ALA 32 5.714 4.692 -4.652 227 HA ALA 32 HA ALA 32 7.401 3.389 -6.751 228 1HB ALA 32 1HB ALA 32 5.348 1.616 -6.310 229 2HB ALA 32 2HB ALA 32 6.938 1.490 -5.555 230 3HB ALA 32 3HB ALA 32 5.605 2.249 -4.684 231 H VAL 33 H VAL 33 4.078 4.363 -5.814 232 HA VAL 33 HA VAL 33 3.058 4.094 -8.495 233 HB VAL 33 HB VAL 33 2.090 5.930 -6.336 234 1HG1 VAL 33 1HG1 VAL 33 1.334 5.669 -8.969 235 2HG1 VAL 33 2HG1 VAL 33 0.184 4.612 -8.141 236 3HG1 VAL 33 3HG1 VAL 33 0.304 6.313 -7.685 237 1HG2 VAL 33 1HG2 VAL 33 2.081 3.009 -6.525 238 2HG2 VAL 33 2HG2 VAL 33 1.707 4.039 -5.142 239 3HG2 VAL 33 3HG2 VAL 33 0.460 3.678 -6.337 240 H ALA 34 H ALA 34 4.508 6.717 -6.616 241 HA ALA 34 HA ALA 34 4.051 8.864 -8.416 242 1HB ALA 34 1HB ALA 34 6.341 9.654 -7.584 243 2HB ALA 34 2HB ALA 34 5.109 9.404 -6.339 244 3HB ALA 34 3HB ALA 34 6.369 8.188 -6.601 245 H ILE 35 H ILE 35 6.524 6.417 -8.200 246 HA ILE 35 HA ILE 35 8.119 7.210 -10.391 247 HB ILE 35 HB ILE 35 7.803 4.310 -9.890 248 1HG1 ILE 35 1HG1 ILE 35 7.419 4.965 -7.659 249 2HG1 ILE 35 2HG1 ILE 35 9.123 4.536 -7.749 250 1HG2 ILE 35 1HG2 ILE 35 9.587 5.763 -11.152 251 2HG2 ILE 35 2HG2 ILE 35 10.253 5.959 -9.533 252 3HG2 ILE 35 3HG2 ILE 35 10.094 4.346 -10.233 253 1HD1 ILE 35 1HD1 ILE 35 8.946 7.280 -8.441 254 2HD1 ILE 35 2HD1 ILE 35 7.951 7.059 -7.000 255 3HD1 ILE 35 3HD1 ILE 35 9.651 6.588 -6.980 256 H VAL 36 H VAL 36 5.134 5.335 -10.118 257 HA VAL 36 HA VAL 36 5.314 4.584 -12.927 258 HB VAL 36 HB VAL 36 2.753 4.494 -11.383 259 1HG1 VAL 36 1HG1 VAL 36 3.998 3.323 -13.791 260 2HG1 VAL 36 2HG1 VAL 36 3.188 2.133 -12.764 261 3HG1 VAL 36 3HG1 VAL 36 2.289 3.516 -13.389 262 1HG2 VAL 36 1HG2 VAL 36 5.172 3.491 -10.364 263 2HG2 VAL 36 2HG2 VAL 36 3.552 2.990 -9.881 264 3HG2 VAL 36 3HG2 VAL 36 4.410 2.098 -11.135 265 H ALA 37 H ALA 37 4.284 7.230 -11.095 266 HA ALA 37 HA ALA 37 2.524 8.315 -13.088 267 1HB ALA 37 1HB ALA 37 3.937 9.730 -10.815 268 2HB ALA 37 2HB ALA 37 2.339 8.991 -10.688 269 3HB ALA 37 3HB ALA 37 2.593 10.371 -11.760 270 H HIS 38 H HIS 38 5.877 8.155 -12.301 271 HA HIS 38 HA HIS 38 6.562 10.096 -14.434 272 1HB HIS 38 1HB HIS 38 8.749 10.198 -13.388 273 2HB HIS 38 2HB HIS 38 8.316 8.906 -12.282 274 HD1 HIS 38 HD1 HIS 38 8.665 10.504 -10.236 275 HD2 HIS 38 HD2 HIS 38 5.650 11.708 -12.852 276 HE1 HIS 38 HE1 HIS 38 7.331 12.284 -9.022 277 H LEU 39 H LEU 39 5.899 7.015 -14.492 278 HA LEU 39 HA LEU 39 8.360 5.847 -15.416 279 1HB LEU 39 1HB LEU 39 6.876 3.917 -16.087 280 2HB LEU 39 2HB LEU 39 6.803 4.356 -14.391 281 HG LEU 39 HG LEU 39 4.593 4.852 -14.520 282 1HD1 LEU 39 1HD1 LEU 39 5.262 6.866 -16.217 283 2HD1 LEU 39 2HD1 LEU 39 4.366 5.832 -17.310 284 3HD1 LEU 39 3HD1 LEU 39 3.599 6.439 -15.860 285 1HD2 LEU 39 1HD2 LEU 39 5.242 2.873 -16.363 286 2HD2 LEU 39 2HD2 LEU 39 3.667 3.147 -15.617 287 3HD2 LEU 39 3HD2 LEU 39 4.043 3.879 -17.176 288 H ALA 40 H ALA 40 5.920 4.876 -17.503 289 HA ALA 40 HA ALA 40 7.217 5.450 -19.856 290 1HB ALA 40 1HB ALA 40 5.081 4.063 -19.439 291 2HB ALA 40 2HB ALA 40 4.243 5.580 -19.764 292 3HB ALA 40 3HB ALA 40 5.271 4.857 -21.003 293 H VAL 41 H VAL 41 6.009 7.767 -17.878 294 HA VAL 41 HA VAL 41 5.288 9.675 -19.932 295 HB VAL 41 HB VAL 41 5.821 10.462 -17.102 296 1HG1 VAL 41 1HG1 VAL 41 3.701 10.982 -19.190 297 2HG1 VAL 41 2HG1 VAL 41 3.546 11.540 -17.523 298 3HG1 VAL 41 3HG1 VAL 41 4.874 12.122 -18.530 299 1HG2 VAL 41 1HG2 VAL 41 4.225 8.132 -17.864 300 2HG2 VAL 41 2HG2 VAL 41 4.610 8.743 -16.247 301 3HG2 VAL 41 3HG2 VAL 41 3.213 9.381 -17.113 302 H TYR 42 H TYR 42 7.910 9.216 -17.581 303 HA TYR 42 HA TYR 42 9.475 11.426 -18.623 304 1HB TYR 42 1HB TYR 42 10.024 9.189 -16.667 305 2HB TYR 42 2HB TYR 42 11.287 10.322 -17.164 306 HD1 TYR 42 HD1 TYR 42 7.818 10.183 -15.799 307 HD2 TYR 42 HD2 TYR 42 11.464 12.430 -16.131 308 HE1 TYR 42 HE1 TYR 42 6.926 11.881 -14.212 309 HE2 TYR 42 HE2 TYR 42 10.576 14.116 -14.542 310 HH TYR 42 HH TYR 42 8.734 14.837 -13.471 311 H ILE 43 H ILE 43 9.442 7.905 -18.956 312 HA ILE 43 HA ILE 43 11.839 7.715 -20.539 313 HB ILE 43 HB ILE 43 9.439 5.912 -20.170 314 1HG1 ILE 43 1HG1 ILE 43 12.290 5.295 -19.457 315 2HG1 ILE 43 2HG1 ILE 43 11.357 6.373 -18.419 316 1HG2 ILE 43 1HG2 ILE 43 11.652 5.772 -22.145 317 2HG2 ILE 43 2HG2 ILE 43 11.302 4.282 -21.268 318 3HG2 ILE 43 3HG2 ILE 43 10.036 5.068 -22.210 319 1HD1 ILE 43 1HD1 ILE 43 9.598 4.645 -18.215 320 2HD1 ILE 43 2HD1 ILE 43 10.553 3.563 -19.229 321 3HD1 ILE 43 3HD1 ILE 43 11.155 4.046 -17.643 322 H TRP 44 H TRP 44 8.856 9.106 -21.250 323 HA TRP 44 HA TRP 44 9.270 8.636 -24.175 324 1HB TRP 44 1HB TRP 44 6.782 9.043 -22.533 325 2HB TRP 44 2HB TRP 44 6.788 9.464 -24.245 326 HD1 TRP 44 HD1 TRP 44 7.795 6.438 -22.045 327 HE1 TRP 44 HE1 TRP 44 7.204 4.285 -23.334 328 HE3 TRP 44 HE3 TRP 44 6.022 8.465 -26.384 329 HZ2 TRP 44 HZ2 TRP 44 6.122 3.523 -25.871 330 HZ3 TRP 44 HZ3 TRP 44 5.218 7.006 -28.218 331 HH2 TRP 44 HH2 TRP 44 5.265 4.539 -27.967 332 H ARG 45 H ARG 45 10.192 10.775 -22.060 333 HA ARG 45 HA ARG 45 9.091 13.287 -22.721 334 1HB ARG 45 1HB ARG 45 11.459 12.296 -21.416 335 2HB ARG 45 2HB ARG 45 11.903 13.629 -22.482 336 1HG ARG 45 1HG ARG 45 10.013 14.959 -21.465 337 2HG ARG 45 2HG ARG 45 11.313 14.574 -20.337 338 1HD ARG 45 1HD ARG 45 8.516 13.819 -20.230 339 2HD ARG 45 2HD ARG 45 9.545 12.387 -20.220 340 HE ARG 45 HE ARG 45 10.306 13.015 -18.073 341 1HH1 ARG 45 1HH1 ARG 45 7.816 15.045 -19.011 342 2HH1 ARG 45 2HH1 ARG 45 8.228 16.343 -17.942 343 1HH2 ARG 45 1HH2 ARG 45 11.244 14.941 -16.969 344 2HH2 ARG 45 2HH2 ARG 45 10.166 16.285 -16.787 345 1HB PRO 46 1HB PRO 46 11.671 16.691 -26.543 346 2HB PRO 46 2HB PRO 46 9.924 16.397 -26.500 347 1HG PRO 46 1HG PRO 46 10.040 17.371 -24.406 348 2HG PRO 46 2HG PRO 46 11.775 17.047 -24.251 349 1HD PRO 46 1HD PRO 46 11.192 15.291 -22.888 350 2HD PRO 46 2HD PRO 46 9.482 15.407 -23.355 351 H TRP 47 H TRP 47 12.210 12.726 -27.240 352 HA TRP 47 HA TRP 47 14.958 13.806 -27.050 353 1HB TRP 47 1HB TRP 47 15.866 11.892 -25.934 354 2HB TRP 47 2HB TRP 47 14.473 12.394 -24.976 355 HD1 TRP 47 HD1 TRP 47 12.299 10.858 -25.040 356 HE1 TRP 47 HE1 TRP 47 11.937 8.415 -25.770 357 HE3 TRP 47 HE3 TRP 47 16.637 10.049 -27.616 358 HZ2 TRP 47 HZ2 TRP 47 13.302 6.384 -27.248 359 HZ3 TRP 47 HZ3 TRP 47 17.079 7.851 -28.674 360 HH2 TRP 47 HH2 TRP 47 15.419 6.019 -28.492 361 H PHE 48 H PHE 48 12.745 12.885 -29.026 362 HA PHE 48 HA PHE 48 13.836 10.627 -30.442 363 1HB PHE 48 1HB PHE 48 12.137 11.018 -32.017 364 2HB PHE 48 2HB PHE 48 11.453 11.674 -30.530 365 HD1 PHE 48 HD1 PHE 48 11.915 14.213 -30.067 366 HD2 PHE 48 HD2 PHE 48 12.250 12.366 -33.930 367 HE1 PHE 48 HE1 PHE 48 11.694 16.434 -31.148 368 HE2 PHE 48 HE2 PHE 48 12.027 14.587 -35.011 369 HZ PHE 48 HZ PHE 48 11.750 16.621 -33.620 No H/Q in entry = 369 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -21.713 4.801 32.476 2 H2 ALA 1 H2 ALA 1 -22.771 5.677 33.477 3 H3 ALA 1 H3 ALA 1 -23.098 4.051 33.103 4 HA ALA 1 HA ALA 1 -24.271 4.662 31.348 5 1HB ALA 1 1HB ALA 1 -23.585 7.226 32.626 6 2HB ALA 1 2HB ALA 1 -24.002 7.363 30.918 7 3HB ALA 1 3HB ALA 1 -25.145 6.638 32.050 8 H ASP 2 H ASP 2 -23.473 3.941 29.432 9 HA ASP 2 HA ASP 2 -21.746 5.643 27.833 10 1HB ASP 2 1HB ASP 2 -19.963 4.715 29.130 11 2HB ASP 2 2HB ASP 2 -20.652 3.093 29.035 12 H LYS 3 H LYS 3 -21.469 2.201 27.468 13 HA LYS 3 HA LYS 3 -22.511 0.701 25.981 14 1HB LYS 3 1HB LYS 3 -24.546 2.609 26.590 15 2HB LYS 3 2HB LYS 3 -24.596 2.296 24.856 16 1HG LYS 3 1HG LYS 3 -24.773 -0.091 25.228 17 2HG LYS 3 2HG LYS 3 -24.521 0.118 26.963 18 1HD LYS 3 1HD LYS 3 -26.615 1.334 27.173 19 2HD LYS 3 2HD LYS 3 -26.848 1.305 25.425 20 1HE LYS 3 1HE LYS 3 -26.393 -1.377 26.343 21 2HE LYS 3 2HE LYS 3 -27.670 -0.649 27.319 22 1HZ LYS 3 1HZ LYS 3 -27.652 -0.420 24.372 23 2HZ LYS 3 2HZ LYS 3 -28.341 -1.763 25.152 24 3HZ LYS 3 3HZ LYS 3 -28.953 -0.208 25.444 25 H SER 4 H SER 4 -21.085 3.593 25.244 26 HA SER 4 HA SER 4 -21.322 3.145 22.301 27 1HB SER 4 1HB SER 4 -21.921 5.396 22.800 28 2HB SER 4 2HB SER 4 -20.594 5.576 23.944 29 HG SER 4 HG SER 4 -20.574 5.548 21.136 30 H ASP 5 H ASP 5 -19.210 2.885 24.992 31 HA ASP 5 HA ASP 5 -16.787 2.910 23.280 32 1HB ASP 5 1HB ASP 5 -15.530 2.836 25.330 33 2HB ASP 5 2HB ASP 5 -16.961 2.386 26.259 34 H LEU 6 H LEU 6 -19.136 0.721 24.250 35 HA LEU 6 HA LEU 6 -17.301 -1.584 24.444 36 1HB LEU 6 1HB LEU 6 -19.266 -2.878 24.975 37 2HB LEU 6 2HB LEU 6 -20.328 -1.573 24.431 38 HG LEU 6 HG LEU 6 -18.814 -0.229 26.184 39 1HD1 LEU 6 1HD1 LEU 6 -21.431 -1.479 26.185 40 2HD1 LEU 6 2HD1 LEU 6 -20.776 -1.414 27.821 41 3HD1 LEU 6 3HD1 LEU 6 -20.944 0.067 26.878 42 1HD2 LEU 6 1HD2 LEU 6 -17.587 -2.387 26.705 43 2HD2 LEU 6 2HD2 LEU 6 -18.264 -1.560 28.109 44 3HD2 LEU 6 3HD2 LEU 6 -19.083 -2.970 27.437 45 H GLY 7 H GLY 7 -19.847 -0.310 22.364 46 1HA GLY 7 1HA GLY 7 -19.634 -2.430 20.391 47 2HA GLY 7 2HA GLY 7 -20.476 -0.895 20.164 48 H TYR 8 H TYR 8 -18.481 0.960 20.480 49 HA TYR 8 HA TYR 8 -17.174 0.945 18.016 50 1HB TYR 8 1HB TYR 8 -17.354 3.060 18.888 51 2HB TYR 8 2HB TYR 8 -16.975 2.528 20.523 52 HD1 TYR 8 HD1 TYR 8 -15.511 3.199 17.171 53 HD2 TYR 8 HD2 TYR 8 -14.778 2.565 21.350 54 HE1 TYR 8 HE1 TYR 8 -13.153 3.921 16.862 55 HE2 TYR 8 HE2 TYR 8 -12.414 3.283 21.049 56 HH TYR 8 HH TYR 8 -10.967 3.583 18.001 57 H THR 9 H THR 9 -16.348 -0.591 20.996 58 HA THR 9 HA THR 9 -13.531 -0.730 20.847 59 HB THR 9 HB THR 9 -15.230 -3.107 21.626 60 HG1 THR 9 HG1 THR 9 -16.107 -1.316 22.622 61 1HG2 THR 9 1HG2 THR 9 -12.453 -2.207 21.996 62 2HG2 THR 9 2HG2 THR 9 -13.231 -2.768 23.476 63 3HG2 THR 9 3HG2 THR 9 -13.130 -3.835 22.075 64 H GLY 10 H GLY 10 -15.616 -3.455 19.854 65 1HA GLY 10 1HA GLY 10 -13.773 -4.775 18.213 66 2HA GLY 10 2HA GLY 10 -15.511 -4.770 17.879 67 H LEU 11 H LEU 11 -15.866 -2.033 17.445 68 HA LEU 11 HA LEU 11 -15.535 -1.622 14.806 69 1HB LEU 11 1HB LEU 11 -16.155 -0.075 17.072 70 2HB LEU 11 2HB LEU 11 -15.012 0.867 16.114 71 HG LEU 11 HG LEU 11 -16.602 -0.285 14.264 72 1HD1 LEU 11 1HD1 LEU 11 -18.094 -0.884 16.294 73 2HD1 LEU 11 2HD1 LEU 11 -18.502 0.832 16.313 74 3HD1 LEU 11 3HD1 LEU 11 -18.878 -0.148 14.897 75 1HD2 LEU 11 1HD2 LEU 11 -15.869 2.279 15.089 76 2HD2 LEU 11 2HD2 LEU 11 -16.725 1.878 13.601 77 3HD2 LEU 11 3HD2 LEU 11 -17.632 2.322 15.046 78 H THR 12 H THR 12 -13.484 0.279 16.905 79 HA THR 12 HA THR 12 -11.464 1.078 15.396 80 HB THR 12 HB THR 12 -10.845 -0.427 17.931 81 HG1 THR 12 HG1 THR 12 -12.403 1.647 17.410 82 1HG2 THR 12 1HG2 THR 12 -9.339 1.317 16.127 83 2HG2 THR 12 2HG2 THR 12 -9.346 1.912 17.787 84 3HG2 THR 12 3HG2 THR 12 -8.753 0.289 17.434 85 H ASP 13 H ASP 13 -11.908 -2.218 16.205 86 HA ASP 13 HA ASP 13 -9.497 -3.175 15.153 87 1HB ASP 13 1HB ASP 13 -11.249 -4.538 16.430 88 2HB ASP 13 2HB ASP 13 -12.113 -4.649 14.897 89 H GLU 14 H GLU 14 -12.672 -3.082 13.429 90 HA GLU 14 HA GLU 14 -11.077 -3.288 10.972 91 1HB GLU 14 1HB GLU 14 -13.244 -4.510 11.237 92 2HB GLU 14 2HB GLU 14 -13.145 -3.501 9.792 93 1HG GLU 14 1HG GLU 14 -14.107 -1.836 11.864 94 2HG GLU 14 2HG GLU 14 -15.008 -2.431 10.469 95 H GLN 15 H GLN 15 -12.335 -0.732 12.862 96 HA GLN 15 HA GLN 15 -12.638 1.114 10.634 97 1HB GLN 15 1HB GLN 15 -12.216 1.917 13.481 98 2HB GLN 15 2HB GLN 15 -13.124 2.764 12.228 99 1HG GLN 15 1HG GLN 15 -13.924 0.061 13.329 100 2HG GLN 15 2HG GLN 15 -14.539 1.579 13.979 101 2HE2 GLN 15 2HE2 GLN 15 -15.755 -0.745 12.217 102 1HE2 GLN 15 1HE2 GLN 15 -16.575 0.105 10.998 103 H ALA 16 H ALA 16 -10.427 0.263 13.131 104 HA ALA 16 HA ALA 16 -8.386 2.168 12.671 105 1HB ALA 16 1HB ALA 16 -8.164 0.572 14.497 106 2HB ALA 16 2HB ALA 16 -8.163 -0.776 13.362 107 3HB ALA 16 3HB ALA 16 -6.799 0.343 13.401 108 H GLN 17 H GLN 17 -9.436 -0.678 10.916 109 HA GLN 17 HA GLN 17 -7.233 -0.475 8.988 110 1HB GLN 17 1HB GLN 17 -9.061 -2.456 9.732 111 2HB GLN 17 2HB GLN 17 -7.854 -2.560 8.460 112 1HG GLN 17 1HG GLN 17 -10.763 -1.779 8.198 113 2HG GLN 17 2HG GLN 17 -9.587 -1.479 6.918 114 2HE2 GLN 17 2HE2 GLN 17 -10.481 -3.048 5.435 115 1HE2 GLN 17 1HE2 GLN 17 -10.411 -4.718 5.738 116 H GLU 18 H GLU 18 -10.587 0.519 9.301 117 HA GLU 18 HA GLU 18 -11.033 1.393 6.626 118 1HB GLU 18 1HB GLU 18 -12.597 1.456 8.784 119 2HB GLU 18 2HB GLU 18 -11.945 3.088 8.936 120 1HG GLU 18 1HG GLU 18 -13.071 3.847 7.105 121 2HG GLU 18 2HG GLU 18 -12.828 2.344 6.213 122 H LEU 19 H LEU 19 -9.049 2.476 9.209 123 HA LEU 19 HA LEU 19 -8.346 5.022 7.991 124 1HB LEU 19 1HB LEU 19 -8.625 3.964 10.562 125 2HB LEU 19 2HB LEU 19 -6.884 4.079 10.323 126 HG LEU 19 HG LEU 19 -7.980 6.071 11.303 127 1HD1 LEU 19 1HD1 LEU 19 -5.851 5.813 9.615 128 2HD1 LEU 19 2HD1 LEU 19 -6.819 7.007 8.739 129 3HD1 LEU 19 3HD1 LEU 19 -6.294 7.342 10.389 130 1HD2 LEU 19 1HD2 LEU 19 -9.959 5.788 9.631 131 2HD2 LEU 19 2HD2 LEU 19 -9.438 7.421 10.058 132 3HD2 LEU 19 3HD2 LEU 19 -8.928 6.708 8.527 133 H HIS 20 H HIS 20 -7.110 1.768 8.499 134 HA HIS 20 HA HIS 20 -4.517 2.691 7.514 135 1HB HIS 20 1HB HIS 20 -5.463 0.501 9.295 136 2HB HIS 20 2HB HIS 20 -3.898 0.384 8.497 137 HD1 HIS 20 HD1 HIS 20 -2.059 2.087 9.214 138 HD2 HIS 20 HD2 HIS 20 -5.719 2.782 10.999 139 HE1 HIS 20 HE1 HIS 20 -1.625 3.756 11.061 140 H SER 21 H SER 21 -6.417 -0.348 7.308 141 HA SER 21 HA SER 21 -5.351 -1.557 5.135 142 1HB SER 21 1HB SER 21 -8.284 -1.070 5.564 143 2HB SER 21 2HB SER 21 -7.629 -2.237 4.428 144 HG SER 21 HG SER 21 -6.899 -3.460 6.079 145 H VAL 22 H VAL 22 -7.717 0.982 5.036 146 HA VAL 22 HA VAL 22 -7.737 1.136 2.224 147 HB VAL 22 HB VAL 22 -9.378 2.762 2.561 148 1HG1 VAL 22 1HG1 VAL 22 -9.365 0.475 4.162 149 2HG1 VAL 22 2HG1 VAL 22 -9.877 1.777 5.238 150 3HG1 VAL 22 3HG1 VAL 22 -10.775 1.459 3.753 151 1HG2 VAL 22 1HG2 VAL 22 -7.930 4.336 3.841 152 2HG2 VAL 22 2HG2 VAL 22 -9.537 4.185 4.547 153 3HG2 VAL 22 3HG2 VAL 22 -8.171 3.341 5.278 154 H TYR 23 H TYR 23 -6.305 3.204 4.763 155 HA TYR 23 HA TYR 23 -5.203 5.138 2.964 156 1HB TYR 23 1HB TYR 23 -5.549 5.082 5.622 157 2HB TYR 23 2HB TYR 23 -3.854 4.599 5.563 158 HD1 TYR 23 HD1 TYR 23 -3.067 6.078 3.049 159 HD2 TYR 23 HD2 TYR 23 -5.343 7.298 6.479 160 HE1 TYR 23 HE1 TYR 23 -2.413 8.439 2.645 161 HE2 TYR 23 HE2 TYR 23 -4.692 9.655 6.080 162 HH TYR 23 HH TYR 23 -3.852 10.936 3.619 163 H MET 24 H MET 24 -3.369 2.832 4.980 164 HA MET 24 HA MET 24 -0.907 2.948 3.816 165 1HB MET 24 1HB MET 24 -1.576 1.381 5.659 166 2HB MET 24 2HB MET 24 -0.543 0.632 4.441 167 1HG MET 24 1HG MET 24 -3.477 0.494 3.964 168 2HG MET 24 2HG MET 24 -2.229 -0.712 3.651 169 1HE MET 24 1HE MET 24 -0.864 -1.612 5.221 170 2HE MET 24 2HE MET 24 -1.059 -1.709 6.969 171 3HE MET 24 3HE MET 24 -1.831 -2.908 5.921 172 H SER 25 H SER 25 -3.787 1.586 2.337 173 HA SER 25 HA SER 25 -2.534 0.133 0.223 174 1HB SER 25 1HB SER 25 -5.009 0.126 0.854 175 2HB SER 25 2HB SER 25 -5.141 1.655 -0.011 176 HG SER 25 HG SER 25 -3.919 0.243 -1.698 177 H GLY 26 H GLY 26 -3.908 3.444 0.165 178 1HA GLY 26 1HA GLY 26 -2.759 4.089 -2.395 179 2HA GLY 26 2HA GLY 26 -3.400 5.255 -1.239 180 H LEU 27 H LEU 27 -1.494 3.916 0.766 181 HA LEU 27 HA LEU 27 0.572 5.861 0.667 182 1HB LEU 27 1HB LEU 27 -0.174 3.543 2.251 183 2HB LEU 27 2HB LEU 27 1.577 3.701 2.110 184 HG LEU 27 HG LEU 27 1.005 6.261 2.621 185 1HD1 LEU 27 1HD1 LEU 27 -1.445 4.766 3.242 186 2HD1 LEU 27 2HD1 LEU 27 -0.847 5.712 4.606 187 3HD1 LEU 27 3HD1 LEU 27 -1.199 6.505 3.072 188 1HD2 LEU 27 1HD2 LEU 27 2.458 4.686 3.941 189 2HD2 LEU 27 2HD2 LEU 27 1.556 5.820 4.946 190 3HD2 LEU 27 3HD2 LEU 27 1.013 4.149 4.799 191 H TRP 28 H TRP 28 1.086 2.337 0.336 192 HA TRP 28 HA TRP 28 3.548 2.739 -1.098 193 1HB TRP 28 1HB TRP 28 2.739 0.741 0.419 194 2HB TRP 28 2HB TRP 28 2.121 0.113 -1.111 195 HD1 TRP 28 HD1 TRP 28 5.284 2.153 -0.605 196 HE1 TRP 28 HE1 TRP 28 7.322 0.768 -1.391 197 HE3 TRP 28 HE3 TRP 28 2.968 -2.256 -1.658 198 HZ2 TRP 28 HZ2 TRP 28 7.877 -1.878 -2.341 199 HZ3 TRP 28 HZ3 TRP 28 4.263 -4.195 -2.499 200 HH2 TRP 28 HH2 TRP 28 6.712 -4.012 -2.841 201 H LEU 29 H LEU 29 0.512 3.212 -2.154 202 HA LEU 29 HA LEU 29 0.886 1.930 -4.778 203 1HB LEU 29 1HB LEU 29 -1.316 1.618 -4.094 204 2HB LEU 29 2HB LEU 29 -1.380 3.164 -3.253 205 HG LEU 29 HG LEU 29 -1.281 4.279 -5.514 206 1HD1 LEU 29 1HD1 LEU 29 -0.434 1.989 -6.500 207 2HD1 LEU 29 2HD1 LEU 29 -2.159 1.643 -6.644 208 3HD1 LEU 29 3HD1 LEU 29 -1.465 3.035 -7.478 209 1HD2 LEU 29 1HD2 LEU 29 -3.371 3.457 -4.051 210 2HD2 LEU 29 2HD2 LEU 29 -3.578 4.281 -5.598 211 3HD2 LEU 29 3HD2 LEU 29 -3.684 2.522 -5.513 212 H PHE 30 H PHE 30 -0.264 5.175 -3.760 213 HA PHE 30 HA PHE 30 0.467 6.452 -6.113 214 1HB PHE 30 1HB PHE 30 -0.133 7.339 -3.353 215 2HB PHE 30 2HB PHE 30 0.703 8.496 -4.390 216 HD1 PHE 30 HD1 PHE 30 -2.308 6.315 -4.158 217 HD2 PHE 30 HD2 PHE 30 -0.439 9.638 -6.135 218 HE1 PHE 30 HE1 PHE 30 -4.446 6.838 -5.299 219 HE2 PHE 30 HE2 PHE 30 -2.577 10.162 -7.277 220 HZ PHE 30 HZ PHE 30 -4.582 8.761 -6.859 221 H SER 31 H SER 31 2.406 5.295 -3.616 222 HA SER 31 HA SER 31 4.680 7.076 -4.128 223 1HB SER 31 1HB SER 31 4.744 6.342 -1.921 224 2HB SER 31 2HB SER 31 4.146 4.737 -2.330 225 HG SER 31 HG SER 31 6.731 5.823 -2.595 226 H ALA 32 H ALA 32 3.983 3.601 -4.617 227 HA ALA 32 HA ALA 32 6.360 3.166 -6.215 228 1HB ALA 32 1HB ALA 32 3.798 1.537 -6.162 229 2HB ALA 32 2HB ALA 32 5.110 1.351 -4.996 230 3HB ALA 32 3HB ALA 32 5.386 0.987 -6.701 231 H VAL 33 H VAL 33 2.901 3.205 -7.202 232 HA VAL 33 HA VAL 33 3.283 3.274 -9.961 233 HB VAL 33 HB VAL 33 1.424 5.105 -8.549 234 1HG1 VAL 33 1HG1 VAL 33 1.402 3.597 -11.154 235 2HG1 VAL 33 2HG1 VAL 33 -0.093 4.225 -10.461 236 3HG1 VAL 33 3HG1 VAL 33 1.211 5.330 -10.892 237 1HG2 VAL 33 1HG2 VAL 33 1.609 2.233 -8.248 238 2HG2 VAL 33 2HG2 VAL 33 0.558 3.369 -7.401 239 3HG2 VAL 33 3HG2 VAL 33 0.055 2.686 -8.949 240 H ALA 34 H ALA 34 3.427 5.977 -7.617 241 HA ALA 34 HA ALA 34 3.829 8.072 -9.473 242 1HB ALA 34 1HB ALA 34 4.870 7.643 -6.673 243 2HB ALA 34 2HB ALA 34 3.599 8.747 -7.211 244 3HB ALA 34 3HB ALA 34 5.287 9.082 -7.608 245 H ILE 35 H ILE 35 6.171 5.883 -7.929 246 HA ILE 35 HA ILE 35 8.587 6.710 -8.792 247 HB ILE 35 HB ILE 35 7.517 4.442 -7.749 248 1HG1 ILE 35 1HG1 ILE 35 10.106 4.055 -9.033 249 2HG1 ILE 35 2HG1 ILE 35 9.927 5.548 -8.101 250 1HG2 ILE 35 1HG2 ILE 35 8.472 3.733 -10.525 251 2HG2 ILE 35 2HG2 ILE 35 8.065 2.573 -9.255 252 3HG2 ILE 35 3HG2 ILE 35 6.819 3.606 -9.948 253 1HD1 ILE 35 1HD1 ILE 35 8.962 4.078 -6.230 254 2HD1 ILE 35 2HD1 ILE 35 9.620 2.707 -7.126 255 3HD1 ILE 35 3HD1 ILE 35 10.701 3.956 -6.506 256 H VAL 36 H VAL 36 6.075 5.093 -10.613 257 HA VAL 36 HA VAL 36 7.689 5.175 -13.072 258 HB VAL 36 HB VAL 36 4.783 4.412 -12.801 259 1HG1 VAL 36 1HG1 VAL 36 6.790 4.374 -14.902 260 2HG1 VAL 36 2HG1 VAL 36 6.207 2.744 -14.564 261 3HG1 VAL 36 3HG1 VAL 36 5.067 4.014 -15.008 262 1HG2 VAL 36 1HG2 VAL 36 7.289 3.135 -11.825 263 2HG2 VAL 36 2HG2 VAL 36 5.633 2.968 -11.234 264 3HG2 VAL 36 3HG2 VAL 36 6.150 2.068 -12.661 265 H ALA 37 H ALA 37 4.973 6.866 -11.658 266 HA ALA 37 HA ALA 37 4.117 8.394 -13.800 267 1HB ALA 37 1HB ALA 37 4.531 9.511 -11.020 268 2HB ALA 37 2HB ALA 37 3.200 8.420 -11.413 269 3HB ALA 37 3HB ALA 37 3.315 9.995 -12.201 270 H HIS 38 H HIS 38 7.084 8.408 -12.000 271 HA HIS 38 HA HIS 38 7.948 10.996 -13.095 272 1HB HIS 38 1HB HIS 38 9.779 10.838 -11.674 273 2HB HIS 38 2HB HIS 38 9.841 9.079 -11.789 274 HD1 HIS 38 HD1 HIS 38 9.403 8.222 -9.488 275 HD2 HIS 38 HD2 HIS 38 6.819 11.338 -10.486 276 HE1 HIS 38 HE1 HIS 38 7.780 8.453 -7.557 277 H LEU 39 H LEU 39 9.182 7.640 -13.284 278 HA LEU 39 HA LEU 39 10.878 8.188 -15.537 279 1HB LEU 39 1HB LEU 39 11.213 5.807 -15.650 280 2HB LEU 39 2HB LEU 39 9.718 5.500 -14.766 281 HG LEU 39 HG LEU 39 10.712 6.719 -12.803 282 1HD1 LEU 39 1HD1 LEU 39 11.963 4.232 -13.951 283 2HD1 LEU 39 2HD1 LEU 39 12.509 4.872 -12.401 284 3HD1 LEU 39 3HD1 LEU 39 10.828 4.381 -12.610 285 1HD2 LEU 39 1HD2 LEU 39 12.365 8.015 -14.181 286 2HD2 LEU 39 2HD2 LEU 39 13.099 7.195 -12.803 287 3HD2 LEU 39 3HD2 LEU 39 13.269 6.521 -14.424 288 H ALA 40 H ALA 40 7.937 6.173 -15.413 289 HA ALA 40 HA ALA 40 7.361 5.690 -18.009 290 1HB ALA 40 1HB ALA 40 5.847 5.784 -15.692 291 2HB ALA 40 2HB ALA 40 5.278 5.235 -17.269 292 3HB ALA 40 3HB ALA 40 5.011 6.905 -16.765 293 H VAL 41 H VAL 41 6.625 8.851 -16.480 294 HA VAL 41 HA VAL 41 5.457 10.140 -18.662 295 HB VAL 41 HB VAL 41 7.346 11.211 -16.558 296 1HG1 VAL 41 1HG1 VAL 41 6.195 12.501 -18.959 297 2HG1 VAL 41 2HG1 VAL 41 5.945 13.380 -17.451 298 3HG1 VAL 41 3HG1 VAL 41 7.580 12.981 -17.978 299 1HG2 VAL 41 1HG2 VAL 41 4.968 10.273 -16.077 300 2HG2 VAL 41 2HG2 VAL 41 5.378 11.863 -15.430 301 3HG2 VAL 41 3HG2 VAL 41 4.394 11.732 -16.887 302 H TYR 42 H TYR 42 8.970 10.070 -17.943 303 HA TYR 42 HA TYR 42 9.742 11.378 -20.361 304 1HB TYR 42 1HB TYR 42 11.217 9.480 -18.517 305 2HB TYR 42 2HB TYR 42 11.985 10.255 -19.904 306 HD1 TYR 42 HD1 TYR 42 10.077 10.992 -16.769 307 HD2 TYR 42 HD2 TYR 42 12.794 12.466 -19.755 308 HE1 TYR 42 HE1 TYR 42 10.429 13.052 -15.435 309 HE2 TYR 42 HE2 TYR 42 13.146 14.524 -18.419 310 HH TYR 42 HH TYR 42 12.889 15.391 -16.278 311 H ILE 43 H ILE 43 9.468 7.927 -19.517 312 HA ILE 43 HA ILE 43 10.244 6.986 -22.139 313 HB ILE 43 HB ILE 43 8.852 5.732 -19.769 314 1HG1 ILE 43 1HG1 ILE 43 11.445 4.990 -21.140 315 2HG1 ILE 43 2HG1 ILE 43 11.366 6.201 -19.861 316 1HG2 ILE 43 1HG2 ILE 43 9.084 4.725 -22.569 317 2HG2 ILE 43 2HG2 ILE 43 9.394 3.578 -21.266 318 3HG2 ILE 43 3HG2 ILE 43 7.839 4.407 -21.360 319 1HD1 ILE 43 1HD1 ILE 43 10.014 4.276 -18.611 320 2HD1 ILE 43 2HD1 ILE 43 10.939 3.246 -19.703 321 3HD1 ILE 43 3HD1 ILE 43 11.776 4.319 -18.582 322 H TRP 44 H TRP 44 7.523 8.636 -21.110 323 HA TRP 44 HA TRP 44 5.808 7.374 -23.203 324 1HB TRP 44 1HB TRP 44 5.263 8.503 -20.533 325 2HB TRP 44 2HB TRP 44 4.143 9.037 -21.784 326 HD1 TRP 44 HD1 TRP 44 5.522 5.806 -20.213 327 HE1 TRP 44 HE1 TRP 44 3.785 3.932 -20.556 328 HE3 TRP 44 HE3 TRP 44 2.120 8.277 -23.111 329 HZ2 TRP 44 HZ2 TRP 44 1.282 3.535 -21.884 330 HZ3 TRP 44 HZ3 TRP 44 0.071 7.130 -23.900 331 HH2 TRP 44 HH2 TRP 44 -0.353 4.764 -23.290 332 H ARG 45 H ARG 45 7.968 9.638 -23.201 333 HA ARG 45 HA ARG 45 6.822 12.131 -23.761 334 1HB ARG 45 1HB ARG 45 9.332 10.826 -24.226 335 2HB ARG 45 2HB ARG 45 8.865 11.671 -25.703 336 1HG ARG 45 1HG ARG 45 9.891 13.413 -24.583 337 2HG ARG 45 2HG ARG 45 8.251 13.600 -23.959 338 1HD ARG 45 1HD ARG 45 8.965 12.006 -22.072 339 2HD ARG 45 2HD ARG 45 10.619 12.289 -22.616 340 HE ARG 45 HE ARG 45 10.386 14.619 -21.958 341 1HH1 ARG 45 1HH1 ARG 45 7.269 13.362 -22.067 342 2HH1 ARG 45 2HH1 ARG 45 6.730 14.108 -20.599 343 1HH2 ARG 45 1HH2 ARG 45 9.878 15.261 -19.717 344 2HH2 ARG 45 2HH2 ARG 45 8.207 15.181 -19.268 345 1HB PRO 46 1HB PRO 46 5.731 13.775 -29.157 346 2HB PRO 46 2HB PRO 46 4.634 14.047 -27.792 347 1HG PRO 46 1HG PRO 46 6.363 15.330 -26.951 348 2HG PRO 46 2HG PRO 46 7.573 14.527 -27.964 349 1HD PRO 46 1HD PRO 46 8.166 13.341 -26.090 350 2HD PRO 46 2HD PRO 46 6.724 13.882 -25.207 351 H TRP 47 H TRP 47 5.040 10.021 -28.903 352 HA TRP 47 HA TRP 47 7.309 10.089 -30.809 353 1HB TRP 47 1HB TRP 47 6.711 7.624 -29.152 354 2HB TRP 47 2HB TRP 47 8.064 7.874 -30.255 355 HD1 TRP 47 HD1 TRP 47 7.231 8.051 -26.700 356 HE1 TRP 47 HE1 TRP 47 9.006 9.393 -25.397 357 HE3 TRP 47 HE3 TRP 47 9.709 10.254 -30.588 358 HZ2 TRP 47 HZ2 TRP 47 11.188 11.165 -25.931 359 HZ3 TRP 47 HZ3 TRP 47 11.629 11.762 -30.162 360 HH2 TRP 47 HH2 TRP 47 12.370 12.220 -27.841 361 H PHE 48 H PHE 48 4.476 8.243 -29.665 362 HA PHE 48 HA PHE 48 2.915 6.979 -30.899 363 1HB PHE 48 1HB PHE 48 2.896 9.713 -31.634 364 2HB PHE 48 2HB PHE 48 2.694 8.794 -33.127 365 HD1 PHE 48 HD1 PHE 48 1.419 9.042 -29.618 366 HD2 PHE 48 HD2 PHE 48 0.609 7.837 -33.661 367 HE1 PHE 48 HE1 PHE 48 -0.937 8.565 -29.004 368 HE2 PHE 48 HE2 PHE 48 -1.746 7.360 -33.048 369 HZ PHE 48 HZ PHE 48 -2.519 7.725 -30.719 No H/Q in entry = 369 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -36.850 10.983 -6.206 2 H2 ALA 1 H2 ALA 1 -37.440 10.505 -7.726 3 H3 ALA 1 H3 ALA 1 -38.524 10.838 -6.464 4 HA ALA 1 HA ALA 1 -38.459 8.747 -5.790 5 1HB ALA 1 1HB ALA 1 -38.042 8.378 -8.258 6 2HB ALA 1 2HB ALA 1 -36.320 8.282 -7.885 7 3HB ALA 1 3HB ALA 1 -37.435 7.091 -7.216 8 H ASP 2 H ASP 2 -37.608 8.493 -3.775 9 HA ASP 2 HA ASP 2 -34.701 8.903 -3.364 10 1HB ASP 2 1HB ASP 2 -36.946 8.374 -1.390 11 2HB ASP 2 2HB ASP 2 -35.270 8.705 -0.954 12 H LYS 3 H LYS 3 -33.316 7.198 -3.194 13 HA LYS 3 HA LYS 3 -33.904 4.704 -1.982 14 1HB LYS 3 1HB LYS 3 -35.422 4.486 -3.968 15 2HB LYS 3 2HB LYS 3 -34.180 3.236 -3.898 16 1HG LYS 3 1HG LYS 3 -33.635 5.780 -5.399 17 2HG LYS 3 2HG LYS 3 -34.619 4.526 -6.154 18 1HD LYS 3 1HD LYS 3 -32.270 3.373 -4.902 19 2HD LYS 3 2HD LYS 3 -31.810 4.632 -6.047 20 1HE LYS 3 1HE LYS 3 -33.842 2.521 -6.770 21 2HE LYS 3 2HE LYS 3 -32.114 2.230 -6.966 22 1HZ LYS 3 1HZ LYS 3 -32.282 4.590 -8.113 23 2HZ LYS 3 2HZ LYS 3 -32.553 3.149 -8.971 24 3HZ LYS 3 3HZ LYS 3 -33.869 4.060 -8.410 25 H SER 4 H SER 4 -32.120 6.392 -4.479 26 HA SER 4 HA SER 4 -29.850 4.669 -4.600 27 1HB SER 4 1HB SER 4 -30.576 7.287 -5.581 28 2HB SER 4 2HB SER 4 -28.927 7.314 -4.964 29 HG SER 4 HG SER 4 -29.473 6.546 -7.261 30 H ASP 5 H ASP 5 -30.969 6.639 -2.058 31 HA ASP 5 HA ASP 5 -28.376 7.285 -0.902 32 1HB ASP 5 1HB ASP 5 -31.030 8.049 -0.431 33 2HB ASP 5 2HB ASP 5 -30.559 7.160 1.017 34 H LEU 6 H LEU 6 -30.807 4.737 -0.386 35 HA LEU 6 HA LEU 6 -29.666 3.487 1.870 36 1HB LEU 6 1HB LEU 6 -30.777 1.455 1.146 37 2HB LEU 6 2HB LEU 6 -30.888 2.064 -0.510 38 HG LEU 6 HG LEU 6 -32.010 4.109 0.807 39 1HD1 LEU 6 1HD1 LEU 6 -33.090 1.616 -0.424 40 2HD1 LEU 6 2HD1 LEU 6 -34.235 2.649 0.431 41 3HD1 LEU 6 3HD1 LEU 6 -33.304 3.294 -0.922 42 1HD2 LEU 6 1HD2 LEU 6 -31.710 2.797 2.965 43 2HD2 LEU 6 2HD2 LEU 6 -33.349 3.369 2.655 44 3HD2 LEU 6 3HD2 LEU 6 -32.934 1.681 2.357 45 H GLY 7 H GLY 7 -28.890 3.256 -1.536 46 1HA GLY 7 1HA GLY 7 -26.820 1.243 -1.209 47 2HA GLY 7 2HA GLY 7 -27.072 2.235 -2.649 48 H TYR 8 H TYR 8 -26.789 4.793 -1.617 49 HA TYR 8 HA TYR 8 -24.034 5.160 -1.572 50 1HB TYR 8 1HB TYR 8 -25.161 7.073 -2.150 51 2HB TYR 8 2HB TYR 8 -26.414 6.812 -0.944 52 HD1 TYR 8 HD1 TYR 8 -22.787 7.717 -1.293 53 HD2 TYR 8 HD2 TYR 8 -26.365 7.922 1.079 54 HE1 TYR 8 HE1 TYR 8 -21.682 9.328 0.241 55 HE2 TYR 8 HE2 TYR 8 -25.257 9.530 2.618 56 HH TYR 8 HH TYR 8 -23.462 10.882 2.879 57 H THR 9 H THR 9 -26.145 4.149 0.911 58 HA THR 9 HA THR 9 -24.621 5.065 3.177 59 HB THR 9 HB THR 9 -26.208 2.502 3.184 60 HG1 THR 9 HG1 THR 9 -27.512 3.931 2.117 61 1HG2 THR 9 1HG2 THR 9 -25.079 4.326 5.123 62 2HG2 THR 9 2HG2 THR 9 -26.822 4.192 5.348 63 3HG2 THR 9 3HG2 THR 9 -25.815 2.745 5.384 64 H GLY 10 H GLY 10 -24.703 2.040 1.318 65 1HA GLY 10 1HA GLY 10 -22.424 0.903 2.763 66 2HA GLY 10 2HA GLY 10 -23.184 0.218 1.321 67 H LEU 11 H LEU 11 -22.861 1.854 -0.683 68 HA LEU 11 HA LEU 11 -20.214 1.830 -1.451 69 1HB LEU 11 1HB LEU 11 -21.136 2.610 -3.362 70 2HB LEU 11 2HB LEU 11 -22.660 2.776 -2.502 71 HG LEU 11 HG LEU 11 -21.542 5.030 -1.670 72 1HD1 LEU 11 1HD1 LEU 11 -19.401 4.562 -2.834 73 2HD1 LEU 11 2HD1 LEU 11 -20.258 4.508 -4.372 74 3HD1 LEU 11 3HD1 LEU 11 -20.168 6.019 -3.466 75 1HD2 LEU 11 1HD2 LEU 11 -23.544 4.386 -3.382 76 2HD2 LEU 11 2HD2 LEU 11 -23.043 6.050 -3.082 77 3HD2 LEU 11 3HD2 LEU 11 -22.443 5.191 -4.501 78 H THR 12 H THR 12 -21.900 4.168 0.541 79 HA THR 12 HA THR 12 -20.115 6.240 0.606 80 HB THR 12 HB THR 12 -21.999 5.045 2.534 81 HG1 THR 12 HG1 THR 12 -21.388 7.358 1.260 82 1HG2 THR 12 1HG2 THR 12 -19.516 6.456 3.425 83 2HG2 THR 12 2HG2 THR 12 -21.032 6.893 4.213 84 3HG2 THR 12 3HG2 THR 12 -20.462 5.225 4.260 85 H ASP 13 H ASP 13 -20.093 3.845 3.045 86 HA ASP 13 HA ASP 13 -17.676 4.038 4.184 87 1HB ASP 13 1HB ASP 13 -19.447 1.826 3.702 88 2HB ASP 13 2HB ASP 13 -17.772 1.278 3.607 89 H GLU 14 H GLU 14 -18.107 2.918 0.875 90 HA GLU 14 HA GLU 14 -15.251 2.318 0.743 91 1HB GLU 14 1HB GLU 14 -17.505 1.658 -0.838 92 2HB GLU 14 2HB GLU 14 -16.399 2.576 -1.861 93 1HG GLU 14 1HG GLU 14 -15.272 0.628 -2.119 94 2HG GLU 14 2HG GLU 14 -14.692 0.909 -0.477 95 H GLN 15 H GLN 15 -17.424 4.845 -0.556 96 HA GLN 15 HA GLN 15 -15.393 6.329 -1.907 97 1HB GLN 15 1HB GLN 15 -16.928 8.161 -1.905 98 2HB GLN 15 2HB GLN 15 -17.793 7.493 -0.521 99 1HG GLN 15 1HG GLN 15 -17.816 5.444 -2.398 100 2HG GLN 15 2HG GLN 15 -19.166 6.500 -1.983 101 2HE2 GLN 15 2HE2 GLN 15 -19.080 8.730 -3.222 102 1HE2 GLN 15 1HE2 GLN 15 -18.624 8.656 -4.856 103 H ALA 16 H ALA 16 -16.696 6.420 1.269 104 HA ALA 16 HA ALA 16 -15.300 8.555 2.408 105 1HB ALA 16 1HB ALA 16 -16.473 7.752 4.172 106 2HB ALA 16 2HB ALA 16 -16.805 6.268 3.270 107 3HB ALA 16 3HB ALA 16 -15.350 6.393 4.268 108 H GLN 17 H GLN 17 -14.350 5.334 1.462 109 HA GLN 17 HA GLN 17 -11.663 5.622 2.658 110 1HB GLN 17 1HB GLN 17 -12.977 3.457 1.018 111 2HB GLN 17 2HB GLN 17 -11.275 3.413 1.476 112 1HG GLN 17 1HG GLN 17 -12.095 3.795 3.884 113 2HG GLN 17 2HG GLN 17 -13.692 3.363 3.276 114 2HE2 GLN 17 2HE2 GLN 17 -13.540 1.213 1.795 115 1HE2 GLN 17 1HE2 GLN 17 -12.641 -0.049 2.488 116 H GLU 18 H GLU 18 -13.273 6.071 -0.398 117 HA GLU 18 HA GLU 18 -11.160 5.943 -2.235 118 1HB GLU 18 1HB GLU 18 -13.685 6.662 -2.539 119 2HB GLU 18 2HB GLU 18 -13.043 8.288 -2.307 120 1HG GLU 18 1HG GLU 18 -11.292 7.637 -4.096 121 2HG GLU 18 2HG GLU 18 -12.935 7.968 -4.646 122 H LEU 19 H LEU 19 -11.714 8.056 0.422 123 HA LEU 19 HA LEU 19 -9.431 9.770 -0.410 124 1HB LEU 19 1HB LEU 19 -10.306 11.452 1.027 125 2HB LEU 19 2HB LEU 19 -11.692 10.834 0.136 126 HG LEU 19 HG LEU 19 -11.591 9.157 2.315 127 1HD1 LEU 19 1HD1 LEU 19 -10.062 11.506 2.949 128 2HD1 LEU 19 2HD1 LEU 19 -11.545 11.519 3.905 129 3HD1 LEU 19 3HD1 LEU 19 -10.453 10.137 3.991 130 1HD2 LEU 19 1HD2 LEU 19 -13.110 11.715 1.774 131 2HD2 LEU 19 2HD2 LEU 19 -13.659 10.054 1.543 132 3HD2 LEU 19 3HD2 LEU 19 -13.466 10.701 3.172 133 H HIS 20 H HIS 20 -10.677 7.565 1.970 134 HA HIS 20 HA HIS 20 -8.479 8.063 3.834 135 1HB HIS 20 1HB HIS 20 -11.089 6.894 3.965 136 2HB HIS 20 2HB HIS 20 -9.886 5.752 4.560 137 HD1 HIS 20 HD1 HIS 20 -8.542 6.405 6.679 138 HD2 HIS 20 HD2 HIS 20 -11.265 9.302 5.442 139 HE1 HIS 20 HE1 HIS 20 -8.705 8.083 8.574 140 H SER 21 H SER 21 -9.754 4.878 2.911 141 HA SER 21 HA SER 21 -7.622 3.299 3.249 142 1HB SER 21 1HB SER 21 -9.315 3.277 0.762 143 2HB SER 21 2HB SER 21 -8.217 1.984 1.213 144 HG SER 21 HG SER 21 -10.264 1.486 1.983 145 H VAL 22 H VAL 22 -8.182 4.488 0.056 146 HA VAL 22 HA VAL 22 -5.813 4.089 -1.147 147 HB VAL 22 HB VAL 22 -7.402 5.132 -2.493 148 1HG1 VAL 22 1HG1 VAL 22 -8.154 6.340 0.003 149 2HG1 VAL 22 2HG1 VAL 22 -8.025 7.606 -1.219 150 3HG1 VAL 22 3HG1 VAL 22 -9.093 6.226 -1.487 151 1HG2 VAL 22 1HG2 VAL 22 -5.598 7.417 -1.637 152 2HG2 VAL 22 2HG2 VAL 22 -5.266 6.259 -2.925 153 3HG2 VAL 22 3HG2 VAL 22 -6.592 7.410 -3.094 154 H TYR 23 H TYR 23 -6.628 6.875 0.878 155 HA TYR 23 HA TYR 23 -4.262 8.333 0.908 156 1HB TYR 23 1HB TYR 23 -6.560 8.378 2.376 157 2HB TYR 23 2HB TYR 23 -5.402 7.849 3.586 158 HD1 TYR 23 HD1 TYR 23 -2.928 9.176 2.669 159 HD2 TYR 23 HD2 TYR 23 -6.963 10.641 2.904 160 HE1 TYR 23 HE1 TYR 23 -2.079 11.505 2.885 161 HE2 TYR 23 HE2 TYR 23 -6.124 12.957 3.119 162 HH TYR 23 HH TYR 23 -2.770 13.650 3.662 163 H MET 24 H MET 24 -5.065 5.783 3.296 164 HA MET 24 HA MET 24 -2.308 5.668 4.198 165 1HB MET 24 1HB MET 24 -4.866 4.661 5.051 166 2HB MET 24 2HB MET 24 -3.693 3.340 5.038 167 1HG MET 24 1HG MET 24 -2.179 5.295 6.145 168 2HG MET 24 2HG MET 24 -3.773 5.782 6.719 169 1HE MET 24 1HE MET 24 -3.312 5.670 8.877 170 2HE MET 24 2HE MET 24 -4.746 4.652 9.061 171 3HE MET 24 3HE MET 24 -3.261 4.251 9.919 172 H SER 25 H SER 25 -4.097 2.738 3.316 173 HA SER 25 HA SER 25 -1.815 1.356 2.383 174 1HB SER 25 1HB SER 25 -3.688 0.013 2.865 175 2HB SER 25 2HB SER 25 -4.766 1.009 1.892 176 HG SER 25 HG SER 25 -2.572 -0.284 0.701 177 H GLY 26 H GLY 26 -4.195 3.269 0.552 178 1HA GLY 26 1HA GLY 26 -3.221 2.692 -2.049 179 2HA GLY 26 2HA GLY 26 -4.035 4.190 -1.604 180 H LEU 27 H LEU 27 -2.017 4.787 0.464 181 HA LEU 27 HA LEU 27 -0.273 6.432 -1.035 182 1HB LEU 27 1HB LEU 27 -0.821 5.919 1.664 183 2HB LEU 27 2HB LEU 27 0.899 5.584 1.477 184 HG LEU 27 HG LEU 27 1.162 7.797 0.340 185 1HD1 LEU 27 1HD1 LEU 27 -1.492 7.712 -0.086 186 2HD1 LEU 27 2HD1 LEU 27 -1.486 8.660 1.401 187 3HD1 LEU 27 3HD1 LEU 27 -0.602 9.232 -0.013 188 1HD2 LEU 27 1HD2 LEU 27 0.155 7.532 3.158 189 2HD2 LEU 27 2HD2 LEU 27 1.777 7.924 2.588 190 3HD2 LEU 27 3HD2 LEU 27 0.501 9.139 2.517 191 H TRP 28 H TRP 28 0.441 3.303 0.574 192 HA TRP 28 HA TRP 28 3.074 3.064 -0.340 193 1HB TRP 28 1HB TRP 28 1.610 1.562 1.302 194 2HB TRP 28 2HB TRP 28 1.404 0.607 -0.165 195 HD1 TRP 28 HD1 TRP 28 4.374 1.853 -1.023 196 HE1 TRP 28 HE1 TRP 28 6.442 0.497 -0.227 197 HE3 TRP 28 HE3 TRP 28 2.211 -0.864 2.678 198 HZ2 TRP 28 HZ2 TRP 28 7.055 -1.492 1.750 199 HZ3 TRP 28 HZ3 TRP 28 3.536 -2.481 4.009 200 HH2 TRP 28 HH2 TRP 28 5.953 -2.798 3.550 201 H LEU 29 H LEU 29 0.164 2.863 -2.040 202 HA LEU 29 HA LEU 29 1.367 1.352 -4.278 203 1HB LEU 29 1HB LEU 29 -0.774 0.688 -4.526 204 2HB LEU 29 2HB LEU 29 -1.302 1.828 -3.297 205 HG LEU 29 HG LEU 29 -1.121 3.587 -5.259 206 1HD1 LEU 29 1HD1 LEU 29 -0.119 1.640 -6.706 207 2HD1 LEU 29 2HD1 LEU 29 -1.805 1.160 -6.895 208 3HD1 LEU 29 3HD1 LEU 29 -1.276 2.750 -7.439 209 1HD2 LEU 29 1HD2 LEU 29 -3.164 2.508 -4.009 210 2HD2 LEU 29 2HD2 LEU 29 -3.430 3.386 -5.517 211 3HD2 LEU 29 3HD2 LEU 29 -3.377 1.623 -5.522 212 H PHE 30 H PHE 30 0.519 4.636 -3.385 213 HA PHE 30 HA PHE 30 0.971 5.651 -6.030 214 1HB PHE 30 1HB PHE 30 -0.557 6.610 -4.086 215 2HB PHE 30 2HB PHE 30 0.933 7.451 -3.659 216 HD1 PHE 30 HD1 PHE 30 -0.876 6.572 -6.837 217 HD2 PHE 30 HD2 PHE 30 1.103 9.599 -4.521 218 HE1 PHE 30 HE1 PHE 30 -1.284 8.222 -8.644 219 HE2 PHE 30 HE2 PHE 30 0.695 11.249 -6.326 220 HZ PHE 30 HZ PHE 30 -0.498 10.559 -8.389 221 H SER 31 H SER 31 2.859 4.765 -3.435 222 HA SER 31 HA SER 31 5.030 6.682 -3.900 223 1HB SER 31 1HB SER 31 4.700 5.770 -1.640 224 2HB SER 31 2HB SER 31 4.925 4.133 -2.249 225 HG SER 31 HG SER 31 6.975 4.463 -1.999 226 H ALA 32 H ALA 32 3.898 3.827 -5.313 227 HA ALA 32 HA ALA 32 6.567 3.245 -6.549 228 1HB ALA 32 1HB ALA 32 4.337 1.564 -5.611 229 2HB ALA 32 2HB ALA 32 6.006 1.112 -5.968 230 3HB ALA 32 3HB ALA 32 4.819 1.197 -7.271 231 H VAL 33 H VAL 33 3.064 3.476 -7.294 232 HA VAL 33 HA VAL 33 3.395 3.533 -10.126 233 HB VAL 33 HB VAL 33 1.357 4.963 -8.457 234 1HG1 VAL 33 1HG1 VAL 33 1.858 5.408 -11.053 235 2HG1 VAL 33 2HG1 VAL 33 0.805 3.998 -11.216 236 3HG1 VAL 33 3HG1 VAL 33 0.218 5.446 -10.395 237 1HG2 VAL 33 1HG2 VAL 33 1.761 2.147 -9.069 238 2HG2 VAL 33 2HG2 VAL 33 0.616 2.883 -7.949 239 3HG2 VAL 33 3HG2 VAL 33 0.196 2.712 -9.653 240 H ALA 34 H ALA 34 3.468 6.065 -7.636 241 HA ALA 34 HA ALA 34 3.585 8.323 -9.337 242 1HB ALA 34 1HB ALA 34 4.866 7.692 -6.682 243 2HB ALA 34 2HB ALA 34 3.572 8.847 -7.029 244 3HB ALA 34 3HB ALA 34 5.229 9.200 -7.529 245 H ILE 35 H ILE 35 6.200 6.420 -7.928 246 HA ILE 35 HA ILE 35 8.417 7.435 -9.172 247 HB ILE 35 HB ILE 35 8.125 4.477 -9.287 248 1HG1 ILE 35 1HG1 ILE 35 7.903 6.103 -6.766 249 2HG1 ILE 35 2HG1 ILE 35 6.871 4.789 -7.340 250 1HG2 ILE 35 1HG2 ILE 35 10.122 6.258 -9.477 251 2HG2 ILE 35 2HG2 ILE 35 10.172 5.935 -7.743 252 3HG2 ILE 35 3HG2 ILE 35 10.369 4.609 -8.893 253 1HD1 ILE 35 1HD1 ILE 35 9.078 3.374 -7.247 254 2HD1 ILE 35 2HD1 ILE 35 9.630 4.640 -6.150 255 3HD1 ILE 35 3HD1 ILE 35 8.199 3.689 -5.752 256 H VAL 36 H VAL 36 5.846 5.483 -10.519 257 HA VAL 36 HA VAL 36 7.215 5.068 -13.046 258 HB VAL 36 HB VAL 36 4.230 4.976 -12.599 259 1HG1 VAL 36 1HG1 VAL 36 6.053 4.307 -14.726 260 2HG1 VAL 36 2HG1 VAL 36 5.260 2.836 -14.155 261 3HG1 VAL 36 3HG1 VAL 36 4.291 4.201 -14.713 262 1HG2 VAL 36 1HG2 VAL 36 5.779 3.736 -10.837 263 2HG2 VAL 36 2HG2 VAL 36 4.402 2.888 -11.548 264 3HG2 VAL 36 3HG2 VAL 36 6.027 2.601 -12.167 265 H ALA 37 H ALA 37 4.637 7.222 -11.904 266 HA ALA 37 HA ALA 37 4.166 8.701 -14.165 267 1HB ALA 37 1HB ALA 37 4.517 10.097 -11.530 268 2HB ALA 37 2HB ALA 37 3.220 8.917 -11.724 269 3HB ALA 37 3HB ALA 37 3.275 10.348 -12.757 270 H HIS 38 H HIS 38 6.983 8.701 -12.023 271 HA HIS 38 HA HIS 38 8.123 11.068 -13.291 272 1HB HIS 38 1HB HIS 38 9.904 10.834 -11.789 273 2HB HIS 38 2HB HIS 38 9.740 9.079 -11.725 274 HD1 HIS 38 HD1 HIS 38 9.591 9.284 -9.079 275 HD2 HIS 38 HD2 HIS 38 6.457 11.085 -11.156 276 HE1 HIS 38 HE1 HIS 38 7.765 9.725 -7.379 277 H LEU 39 H LEU 39 8.697 7.562 -13.444 278 HA LEU 39 HA LEU 39 10.624 7.916 -15.620 279 1HB LEU 39 1HB LEU 39 9.462 5.285 -14.705 280 2HB LEU 39 2HB LEU 39 11.036 5.589 -15.442 281 HG LEU 39 HG LEU 39 10.224 6.677 -12.736 282 1HD1 LEU 39 1HD1 LEU 39 10.324 4.137 -12.881 283 2HD1 LEU 39 2HD1 LEU 39 12.030 4.313 -13.287 284 3HD1 LEU 39 3HD1 LEU 39 11.434 4.871 -11.725 285 1HD2 LEU 39 1HD2 LEU 39 12.563 6.903 -14.515 286 2HD2 LEU 39 2HD2 LEU 39 12.054 7.950 -13.191 287 3HD2 LEU 39 3HD2 LEU 39 12.966 6.478 -12.851 288 H ALA 40 H ALA 40 7.719 5.864 -15.310 289 HA ALA 40 HA ALA 40 7.145 5.273 -17.898 290 1HB ALA 40 1HB ALA 40 5.495 4.502 -16.491 291 2HB ALA 40 2HB ALA 40 5.370 6.034 -15.624 292 3HB ALA 40 3HB ALA 40 4.648 5.864 -17.225 293 H VAL 41 H VAL 41 6.675 8.493 -16.440 294 HA VAL 41 HA VAL 41 5.343 9.569 -18.763 295 HB VAL 41 HB VAL 41 6.727 10.854 -16.405 296 1HG1 VAL 41 1HG1 VAL 41 5.868 12.012 -18.964 297 2HG1 VAL 41 2HG1 VAL 41 5.125 12.787 -17.565 298 3HG1 VAL 41 3HG1 VAL 41 6.882 12.710 -17.701 299 1HG2 VAL 41 1HG2 VAL 41 4.463 9.581 -16.283 300 2HG2 VAL 41 2HG2 VAL 41 4.534 11.204 -15.592 301 3HG2 VAL 41 3HG2 VAL 41 3.812 10.954 -17.182 302 H TYR 42 H TYR 42 8.676 10.035 -17.518 303 HA TYR 42 HA TYR 42 9.631 11.449 -19.790 304 1HB TYR 42 1HB TYR 42 11.065 9.649 -17.818 305 2HB TYR 42 2HB TYR 42 11.898 10.617 -19.034 306 HD1 TYR 42 HD1 TYR 42 10.286 13.074 -19.091 307 HD2 TYR 42 HD2 TYR 42 11.557 10.687 -15.756 308 HE1 TYR 42 HE1 TYR 42 10.148 15.063 -17.617 309 HE2 TYR 42 HE2 TYR 42 11.418 12.676 -14.279 310 HH TYR 42 HH TYR 42 9.896 15.586 -15.258 311 H ILE 43 H ILE 43 8.724 8.187 -19.407 312 HA ILE 43 HA ILE 43 10.362 7.220 -21.665 313 HB ILE 43 HB ILE 43 8.499 5.948 -19.664 314 1HG1 ILE 43 1HG1 ILE 43 11.048 4.676 -20.365 315 2HG1 ILE 43 2HG1 ILE 43 11.236 6.331 -19.785 316 1HG2 ILE 43 1HG2 ILE 43 8.914 5.095 -22.423 317 2HG2 ILE 43 2HG2 ILE 43 9.464 3.877 -21.272 318 3HG2 ILE 43 3HG2 ILE 43 7.801 4.460 -21.209 319 1HD1 ILE 43 1HD1 ILE 43 9.293 4.843 -18.200 320 2HD1 ILE 43 2HD1 ILE 43 10.877 4.067 -18.195 321 3HD1 ILE 43 3HD1 ILE 43 10.714 5.742 -17.669 322 H TRP 44 H TRP 44 7.083 8.228 -20.919 323 HA TRP 44 HA TRP 44 6.193 7.398 -23.629 324 1HB TRP 44 1HB TRP 44 4.773 8.195 -21.103 325 2HB TRP 44 2HB TRP 44 3.940 8.337 -22.651 326 HD1 TRP 44 HD1 TRP 44 5.919 5.676 -20.665 327 HE1 TRP 44 HE1 TRP 44 4.889 3.366 -21.171 328 HE3 TRP 44 HE3 TRP 44 2.376 7.025 -24.082 329 HZ2 TRP 44 HZ2 TRP 44 2.831 2.242 -22.811 330 HZ3 TRP 44 HZ3 TRP 44 0.895 5.319 -25.099 331 HH2 TRP 44 HH2 TRP 44 1.117 2.932 -24.469 332 H ARG 45 H ARG 45 7.822 9.894 -22.488 333 HA ARG 45 HA ARG 45 6.506 12.281 -23.016 334 1HB ARG 45 1HB ARG 45 9.316 11.330 -23.426 335 2HB ARG 45 2HB ARG 45 8.869 12.884 -24.119 336 1HG ARG 45 1HG ARG 45 8.468 12.102 -21.215 337 2HG ARG 45 2HG ARG 45 9.786 13.109 -21.814 338 1HD ARG 45 1HD ARG 45 8.082 14.711 -22.714 339 2HD ARG 45 2HD ARG 45 6.825 13.741 -21.948 340 HE ARG 45 HE ARG 45 8.406 14.249 -19.820 341 1HH1 ARG 45 1HH1 ARG 45 5.994 15.941 -21.121 342 2HH1 ARG 45 2HH1 ARG 45 6.584 17.528 -20.756 343 1HH2 ARG 45 1HH2 ARG 45 9.760 16.439 -19.891 344 2HH2 ARG 45 2HH2 ARG 45 8.715 17.809 -20.059 345 1HB PRO 46 1HB PRO 46 6.184 14.839 -28.066 346 2HB PRO 46 2HB PRO 46 4.755 14.468 -27.086 347 1HG PRO 46 1HG PRO 46 5.741 15.881 -25.542 348 2HG PRO 46 2HG PRO 46 7.356 15.665 -26.237 349 1HD PRO 46 1HD PRO 46 7.752 14.236 -24.479 350 2HD PRO 46 2HD PRO 46 6.028 14.140 -24.068 351 H TRP 47 H TRP 47 6.665 11.058 -28.667 352 HA TRP 47 HA TRP 47 9.305 12.109 -29.583 353 1HB TRP 47 1HB TRP 47 8.715 9.175 -29.088 354 2HB TRP 47 2HB TRP 47 10.272 9.902 -29.481 355 HD1 TRP 47 HD1 TRP 47 8.193 8.874 -26.598 356 HE1 TRP 47 HE1 TRP 47 9.211 9.747 -24.400 357 HE3 TRP 47 HE3 TRP 47 11.613 12.188 -28.456 358 HZ2 TRP 47 HZ2 TRP 47 11.208 11.605 -23.537 359 HZ3 TRP 47 HZ3 TRP 47 13.058 13.493 -26.924 360 HH2 TRP 47 HH2 TRP 47 12.860 13.206 -24.469 361 H PHE 48 H PHE 48 6.739 9.712 -30.163 362 HA PHE 48 HA PHE 48 5.943 8.829 -32.193 363 1HB PHE 48 1HB PHE 48 5.265 11.433 -31.906 364 2HB PHE 48 2HB PHE 48 6.135 11.513 -33.440 365 HD1 PHE 48 HD1 PHE 48 3.852 8.995 -31.837 366 HD2 PHE 48 HD2 PHE 48 4.694 11.441 -35.265 367 HE1 PHE 48 HE1 PHE 48 1.888 8.032 -33.005 368 HE2 PHE 48 HE2 PHE 48 2.729 10.479 -36.434 369 HZ PHE 48 HZ PHE 48 1.327 8.774 -35.303 No H/Q in entry = 369 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -30.058 -3.479 9.247 2 H2 ALA 1 H2 ALA 1 -29.426 -4.797 10.114 3 H3 ALA 1 H3 ALA 1 -30.680 -5.035 8.992 4 HA ALA 1 HA ALA 1 -32.253 -3.938 10.334 5 1HB ALA 1 1HB ALA 1 -32.449 -5.600 11.875 6 2HB ALA 1 2HB ALA 1 -30.850 -5.286 12.551 7 3HB ALA 1 3HB ALA 1 -31.015 -6.266 11.093 8 H ASP 2 H ASP 2 -29.017 -3.009 10.891 9 HA ASP 2 HA ASP 2 -29.712 -0.549 12.130 10 1HB ASP 2 1HB ASP 2 -30.308 -2.073 14.034 11 2HB ASP 2 2HB ASP 2 -29.038 -0.917 14.438 12 H LYS 3 H LYS 3 -27.247 -0.687 13.923 13 HA LYS 3 HA LYS 3 -24.976 -1.410 12.367 14 1HB LYS 3 1HB LYS 3 -24.568 1.383 12.321 15 2HB LYS 3 2HB LYS 3 -24.775 0.319 10.935 16 1HG LYS 3 1HG LYS 3 -27.079 0.787 10.766 17 2HG LYS 3 2HG LYS 3 -27.168 1.390 12.422 18 1HD LYS 3 1HD LYS 3 -25.364 3.129 11.427 19 2HD LYS 3 2HD LYS 3 -26.261 2.772 9.950 20 1HE LYS 3 1HE LYS 3 -27.377 3.824 12.562 21 2HE LYS 3 2HE LYS 3 -27.344 4.650 11.004 22 1HZ LYS 3 1HZ LYS 3 -28.791 2.109 11.515 23 2HZ LYS 3 2HZ LYS 3 -29.517 3.641 11.551 24 3HZ LYS 3 3HZ LYS 3 -28.851 3.052 10.104 25 H SER 4 H SER 4 -23.928 -1.984 13.965 26 HA SER 4 HA SER 4 -22.354 -0.653 15.636 27 1HB SER 4 1HB SER 4 -23.707 -0.654 17.832 28 2HB SER 4 2HB SER 4 -24.090 0.628 16.688 29 HG SER 4 HG SER 4 -25.760 -1.052 17.704 30 H ASP 5 H ASP 5 -21.128 -2.254 16.345 31 HA ASP 5 HA ASP 5 -20.445 -4.518 16.341 32 1HB ASP 5 1HB ASP 5 -20.930 -5.457 18.520 33 2HB ASP 5 2HB ASP 5 -22.362 -4.438 18.682 34 H LEU 6 H LEU 6 -22.888 -4.209 14.658 35 HA LEU 6 HA LEU 6 -23.638 -7.036 14.514 36 1HB LEU 6 1HB LEU 6 -25.702 -4.836 14.948 37 2HB LEU 6 2HB LEU 6 -26.088 -6.477 14.426 38 HG LEU 6 HG LEU 6 -24.480 -6.045 16.892 39 1HD1 LEU 6 1HD1 LEU 6 -26.865 -4.772 16.669 40 2HD1 LEU 6 2HD1 LEU 6 -27.401 -6.354 17.238 41 3HD1 LEU 6 3HD1 LEU 6 -26.252 -5.416 18.192 42 1HD2 LEU 6 1HD2 LEU 6 -25.000 -8.302 15.694 43 2HD2 LEU 6 2HD2 LEU 6 -25.187 -8.218 17.446 44 3HD2 LEU 6 3HD2 LEU 6 -26.605 -8.114 16.401 45 H GLY 7 H GLY 7 -24.283 -3.722 13.675 46 1HA GLY 7 1HA GLY 7 -24.203 -4.408 10.768 47 2HA GLY 7 2HA GLY 7 -24.951 -2.947 11.434 48 H TYR 8 H TYR 8 -22.569 -2.996 13.463 49 HA TYR 8 HA TYR 8 -20.813 -1.407 11.773 50 1HB TYR 8 1HB TYR 8 -21.287 -0.284 13.764 51 2HB TYR 8 2HB TYR 8 -21.191 -1.773 14.695 52 HD1 TYR 8 HD1 TYR 8 -19.115 0.680 12.782 53 HD2 TYR 8 HD2 TYR 8 -19.205 -2.475 15.696 54 HE1 TYR 8 HE1 TYR 8 -16.750 1.152 13.361 55 HE2 TYR 8 HE2 TYR 8 -16.833 -2.005 16.276 56 HH TYR 8 HH TYR 8 -14.769 -0.732 14.667 57 H THR 9 H THR 9 -21.072 -4.552 12.935 58 HA THR 9 HA THR 9 -18.270 -5.119 13.346 59 HB THR 9 HB THR 9 -20.352 -7.146 12.510 60 HG1 THR 9 HG1 THR 9 -21.234 -5.902 14.153 61 1HG2 THR 9 1HG2 THR 9 -17.823 -7.639 12.857 62 2HG2 THR 9 2HG2 THR 9 -18.176 -7.436 14.573 63 3HG2 THR 9 3HG2 THR 9 -18.995 -8.694 13.648 64 H GLY 10 H GLY 10 -20.499 -6.101 10.740 65 1HA GLY 10 1HA GLY 10 -18.441 -6.897 8.919 66 2HA GLY 10 2HA GLY 10 -20.093 -6.486 8.456 67 H LEU 11 H LEU 11 -20.183 -3.792 9.284 68 HA LEU 11 HA LEU 11 -18.908 -2.526 7.115 69 1HB LEU 11 1HB LEU 11 -20.419 -0.940 7.630 70 2HB LEU 11 2HB LEU 11 -20.842 -1.845 9.078 71 HG LEU 11 HG LEU 11 -18.659 -0.696 10.034 72 1HD1 LEU 11 1HD1 LEU 11 -18.236 0.337 7.727 73 2HD1 LEU 11 2HD1 LEU 11 -19.610 1.390 8.060 74 3HD1 LEU 11 3HD1 LEU 11 -18.184 1.450 9.094 75 1HD2 LEU 11 1HD2 LEU 11 -21.428 -0.225 10.174 76 2HD2 LEU 11 2HD2 LEU 11 -20.205 0.354 11.304 77 3HD2 LEU 11 3HD2 LEU 11 -20.702 1.366 9.949 78 H THR 12 H THR 12 -17.971 -2.866 10.516 79 HA THR 12 HA THR 12 -15.823 -1.082 10.480 80 HB THR 12 HB THR 12 -16.195 -3.662 11.981 81 HG1 THR 12 HG1 THR 12 -17.180 -1.309 12.115 82 1HG2 THR 12 1HG2 THR 12 -14.020 -1.566 12.289 83 2HG2 THR 12 2HG2 THR 12 -14.315 -2.891 13.413 84 3HG2 THR 12 3HG2 THR 12 -13.780 -3.233 11.768 85 H ASP 13 H ASP 13 -16.272 -3.978 8.935 86 HA ASP 13 HA ASP 13 -13.522 -4.624 8.546 87 1HB ASP 13 1HB ASP 13 -15.665 -6.151 8.275 88 2HB ASP 13 2HB ASP 13 -15.611 -5.542 6.621 89 H GLU 14 H GLU 14 -15.973 -2.899 6.666 90 HA GLU 14 HA GLU 14 -13.800 -2.293 4.740 91 1HB GLU 14 1HB GLU 14 -16.688 -2.451 4.556 92 2HB GLU 14 2HB GLU 14 -16.061 -0.948 3.878 93 1HG GLU 14 1HG GLU 14 -14.275 -2.518 2.773 94 2HG GLU 14 2HG GLU 14 -15.484 -3.773 3.049 95 H GLN 15 H GLN 15 -15.132 -0.996 7.480 96 HA GLN 15 HA GLN 15 -14.645 1.797 6.695 97 1HB GLN 15 1HB GLN 15 -16.375 0.578 8.547 98 2HB GLN 15 2HB GLN 15 -16.143 2.298 8.288 99 1HG GLN 15 1HG GLN 15 -14.448 0.644 10.172 100 2HG GLN 15 2HG GLN 15 -15.852 1.580 10.680 101 2HE2 GLN 15 2HE2 GLN 15 -15.600 3.955 9.292 102 1HE2 GLN 15 1HE2 GLN 15 -14.134 4.722 9.672 103 H ALA 16 H ALA 16 -13.658 -0.688 8.860 104 HA ALA 16 HA ALA 16 -11.383 0.586 9.988 105 1HB ALA 16 1HB ALA 16 -12.052 -1.645 10.776 106 2HB ALA 16 2HB ALA 16 -10.394 -1.711 10.176 107 3HB ALA 16 3HB ALA 16 -11.717 -2.327 9.185 108 H GLN 17 H GLN 17 -12.144 -0.690 6.819 109 HA GLN 17 HA GLN 17 -9.339 -0.265 5.929 110 1HB GLN 17 1HB GLN 17 -11.772 -1.388 4.545 111 2HB GLN 17 2HB GLN 17 -10.230 -1.104 3.733 112 1HG GLN 17 1HG GLN 17 -9.326 -2.442 5.872 113 2HG GLN 17 2HG GLN 17 -10.943 -3.142 5.781 114 2HE2 GLN 17 2HE2 GLN 17 -11.543 -3.694 3.293 115 1HE2 GLN 17 1HE2 GLN 17 -10.324 -4.522 2.449 116 H GLU 18 H GLU 18 -12.484 1.247 5.833 117 HA GLU 18 HA GLU 18 -12.175 2.955 3.595 118 1HB GLU 18 1HB GLU 18 -13.782 4.374 4.619 119 2HB GLU 18 2HB GLU 18 -14.208 2.754 5.145 120 1HG GLU 18 1HG GLU 18 -12.330 3.804 7.015 121 2HG GLU 18 2HG GLU 18 -14.029 3.432 7.284 122 H LEU 19 H LEU 19 -10.646 2.813 6.624 123 HA LEU 19 HA LEU 19 -9.252 5.398 6.177 124 1HB LEU 19 1HB LEU 19 -8.818 5.416 8.510 125 2HB LEU 19 2HB LEU 19 -10.501 4.935 8.352 126 HG LEU 19 HG LEU 19 -9.124 2.535 8.210 127 1HD1 LEU 19 1HD1 LEU 19 -7.532 4.529 9.655 128 2HD1 LEU 19 2HD1 LEU 19 -7.917 3.121 10.647 129 3HD1 LEU 19 3HD1 LEU 19 -7.078 2.915 9.109 130 1HD2 LEU 19 1HD2 LEU 19 -10.410 3.933 10.582 131 2HD2 LEU 19 2HD2 LEU 19 -11.224 2.893 9.411 132 3HD2 LEU 19 3HD2 LEU 19 -10.037 2.210 10.525 133 H HIS 20 H HIS 20 -8.866 1.979 6.304 134 HA HIS 20 HA HIS 20 -5.952 2.181 6.589 135 1HB HIS 20 1HB HIS 20 -7.949 0.154 7.033 136 2HB HIS 20 2HB HIS 20 -6.653 -0.464 6.035 137 HD1 HIS 20 HD1 HIS 20 -4.370 -0.810 7.144 138 HD2 HIS 20 HD2 HIS 20 -7.109 1.122 9.618 139 HE1 HIS 20 HE1 HIS 20 -3.313 -0.716 9.444 140 H SER 21 H SER 21 -7.682 -0.061 4.447 141 HA SER 21 HA SER 21 -5.870 -0.287 2.462 142 1HB SER 21 1HB SER 21 -8.830 0.033 2.017 143 2HB SER 21 2HB SER 21 -7.706 -0.570 0.812 144 HG SER 21 HG SER 21 -7.164 -2.240 2.325 145 H VAL 22 H VAL 22 -8.564 1.742 1.749 146 HA VAL 22 HA VAL 22 -7.719 3.248 -0.263 147 HB VAL 22 HB VAL 22 -9.857 3.700 0.616 148 1HG1 VAL 22 1HG1 VAL 22 -8.628 3.146 3.060 149 2HG1 VAL 22 2HG1 VAL 22 -9.124 4.833 3.212 150 3HG1 VAL 22 3HG1 VAL 22 -10.323 3.593 2.837 151 1HG2 VAL 22 1HG2 VAL 22 -8.058 5.832 0.317 152 2HG2 VAL 22 2HG2 VAL 22 -9.818 5.941 0.318 153 3HG2 VAL 22 3HG2 VAL 22 -8.918 6.178 1.817 154 H TYR 23 H TYR 23 -6.838 3.696 3.086 155 HA TYR 23 HA TYR 23 -5.157 6.021 2.696 156 1HB TYR 23 1HB TYR 23 -6.320 5.749 4.761 157 2HB TYR 23 2HB TYR 23 -5.710 4.111 4.945 158 HD1 TYR 23 HD1 TYR 23 -3.284 6.504 3.714 159 HD2 TYR 23 HD2 TYR 23 -5.071 4.858 7.250 160 HE1 TYR 23 HE1 TYR 23 -1.387 7.352 5.075 161 HE2 TYR 23 HE2 TYR 23 -3.203 5.696 8.612 162 HH TYR 23 HH TYR 23 -1.280 7.977 7.888 163 H MET 24 H MET 24 -3.947 3.336 4.594 164 HA MET 24 HA MET 24 -1.291 3.566 3.754 165 1HB MET 24 1HB MET 24 -1.995 2.264 5.730 166 2HB MET 24 2HB MET 24 -0.925 1.329 4.687 167 1HG MET 24 1HG MET 24 -3.857 1.115 4.184 168 2HG MET 24 2HG MET 24 -3.224 0.323 5.623 169 1HE MET 24 1HE MET 24 -1.017 -0.742 5.614 170 2HE MET 24 2HE MET 24 -1.988 -2.201 5.422 171 3HE MET 24 3HE MET 24 -0.532 -1.986 4.453 172 H SER 25 H SER 25 -3.766 1.374 2.372 173 HA SER 25 HA SER 25 -1.936 0.192 0.485 174 1HB SER 25 1HB SER 25 -4.848 0.140 0.973 175 2HB SER 25 2HB SER 25 -4.373 -0.125 -0.700 176 HG SER 25 HG SER 25 -3.232 -1.881 -0.105 177 H GLY 26 H GLY 26 -4.040 3.031 0.375 178 1HA GLY 26 1HA GLY 26 -3.486 3.449 -2.486 179 2HA GLY 26 2HA GLY 26 -4.466 4.491 -1.456 180 H LEU 27 H LEU 27 -1.838 4.025 0.350 181 HA LEU 27 HA LEU 27 -0.609 6.529 -0.601 182 1HB LEU 27 1HB LEU 27 -1.048 5.229 1.973 183 2HB LEU 27 2HB LEU 27 0.598 5.843 1.795 184 HG LEU 27 HG LEU 27 -0.779 7.609 2.732 185 1HD1 LEU 27 1HD1 LEU 27 0.701 7.831 0.373 186 2HD1 LEU 27 2HD1 LEU 27 -0.792 8.706 0.031 187 3HD1 LEU 27 3HD1 LEU 27 0.200 9.161 1.418 188 1HD2 LEU 27 1HD2 LEU 27 -2.952 6.670 1.893 189 2HD2 LEU 27 2HD2 LEU 27 -2.796 8.404 1.617 190 3HD2 LEU 27 3HD2 LEU 27 -2.547 7.274 0.287 191 H TRP 28 H TRP 28 0.202 3.160 0.150 192 HA TRP 28 HA TRP 28 2.996 3.513 -0.476 193 1HB TRP 28 1HB TRP 28 2.402 1.833 1.156 194 2HB TRP 28 2HB TRP 28 1.274 1.088 0.028 195 HD1 TRP 28 HD1 TRP 28 2.620 0.482 -2.414 196 HE1 TRP 28 HE1 TRP 28 4.772 -0.941 -2.635 197 HE3 TRP 28 HE3 TRP 28 4.449 0.976 2.304 198 HZ2 TRP 28 HZ2 TRP 28 6.976 -1.753 -0.993 199 HZ3 TRP 28 HZ3 TRP 28 6.569 -0.124 2.962 200 HH2 TRP 28 HH2 TRP 28 7.835 -1.487 1.321 201 H LEU 29 H LEU 29 0.114 2.885 -2.132 202 HA LEU 29 HA LEU 29 1.339 1.698 -4.494 203 1HB LEU 29 1HB LEU 29 -0.838 1.065 -4.600 204 2HB LEU 29 2HB LEU 29 -1.345 2.341 -3.506 205 HG LEU 29 HG LEU 29 -1.014 3.890 -5.620 206 1HD1 LEU 29 1HD1 LEU 29 -1.395 1.127 -6.811 207 2HD1 LEU 29 2HD1 LEU 29 -1.589 2.637 -7.702 208 3HD1 LEU 29 3HD1 LEU 29 -0.009 2.189 -7.057 209 1HD2 LEU 29 1HD2 LEU 29 -3.135 2.949 -4.328 210 2HD2 LEU 29 2HD2 LEU 29 -3.310 3.818 -5.853 211 3HD2 LEU 29 3HD2 LEU 29 -3.362 2.055 -5.832 212 H PHE 30 H PHE 30 -0.104 4.907 -3.758 213 HA PHE 30 HA PHE 30 0.589 6.160 -6.136 214 1HB PHE 30 1HB PHE 30 -0.163 7.004 -3.454 215 2HB PHE 30 2HB PHE 30 0.953 8.135 -4.219 216 HD1 PHE 30 HD1 PHE 30 -1.457 5.960 -6.015 217 HD2 PHE 30 HD2 PHE 30 -0.573 9.938 -4.657 218 HE1 PHE 30 HE1 PHE 30 -3.308 6.848 -7.407 219 HE2 PHE 30 HE2 PHE 30 -2.425 10.825 -6.048 220 HZ PHE 30 HZ PHE 30 -3.792 9.279 -7.423 221 H SER 31 H SER 31 2.548 5.084 -3.598 222 HA SER 31 HA SER 31 4.826 6.803 -4.045 223 1HB SER 31 1HB SER 31 4.674 4.021 -2.839 224 2HB SER 31 2HB SER 31 6.085 5.074 -2.773 225 HG SER 31 HG SER 31 5.032 6.419 -1.439 226 H ALA 32 H ALA 32 4.345 3.346 -4.877 227 HA ALA 32 HA ALA 32 6.555 3.213 -6.711 228 1HB ALA 32 1HB ALA 32 4.154 1.546 -6.088 229 2HB ALA 32 2HB ALA 32 5.857 1.087 -6.146 230 3HB ALA 32 3HB ALA 32 4.943 1.270 -7.642 231 H VAL 33 H VAL 33 3.038 3.329 -7.459 232 HA VAL 33 HA VAL 33 3.181 3.697 -10.206 233 HB VAL 33 HB VAL 33 1.442 5.180 -8.272 234 1HG1 VAL 33 1HG1 VAL 33 1.816 5.691 -10.969 235 2HG1 VAL 33 2HG1 VAL 33 0.386 4.653 -10.951 236 3HG1 VAL 33 3HG1 VAL 33 0.397 6.156 -10.028 237 1HG2 VAL 33 1HG2 VAL 33 1.355 2.644 -8.243 238 2HG2 VAL 33 2HG2 VAL 33 -0.178 3.429 -8.625 239 3HG2 VAL 33 3HG2 VAL 33 0.795 2.721 -9.915 240 H ALA 34 H ALA 34 3.526 6.206 -7.684 241 HA ALA 34 HA ALA 34 3.794 8.432 -9.403 242 1HB ALA 34 1HB ALA 34 5.273 7.833 -6.832 243 2HB ALA 34 2HB ALA 34 5.234 9.406 -7.631 244 3HB ALA 34 3HB ALA 34 3.745 8.711 -6.971 245 H ILE 35 H ILE 35 6.333 6.412 -7.979 246 HA ILE 35 HA ILE 35 8.558 7.377 -9.277 247 HB ILE 35 HB ILE 35 8.277 4.425 -9.306 248 1HG1 ILE 35 1HG1 ILE 35 7.978 6.099 -6.825 249 2HG1 ILE 35 2HG1 ILE 35 7.015 4.729 -7.377 250 1HG2 ILE 35 1HG2 ILE 35 10.253 6.206 -9.531 251 2HG2 ILE 35 2HG2 ILE 35 10.284 5.972 -7.785 252 3HG2 ILE 35 3HG2 ILE 35 10.516 4.591 -8.860 253 1HD1 ILE 35 1HD1 ILE 35 9.927 4.544 -6.565 254 2HD1 ILE 35 2HD1 ILE 35 8.574 4.124 -5.514 255 3HD1 ILE 35 3HD1 ILE 35 8.866 3.200 -6.987 256 H VAL 36 H VAL 36 5.875 5.538 -10.518 257 HA VAL 36 HA VAL 36 7.192 4.981 -13.054 258 HB VAL 36 HB VAL 36 4.213 5.036 -12.554 259 1HG1 VAL 36 1HG1 VAL 36 5.873 4.375 -14.756 260 2HG1 VAL 36 2HG1 VAL 36 5.269 2.844 -14.111 261 3HG1 VAL 36 3HG1 VAL 36 4.135 4.103 -14.603 262 1HG2 VAL 36 1HG2 VAL 36 5.730 3.756 -10.798 263 2HG2 VAL 36 2HG2 VAL 36 4.311 2.952 -11.481 264 3HG2 VAL 36 3HG2 VAL 36 5.915 2.592 -12.114 265 H ALA 37 H ALA 37 4.740 7.280 -11.895 266 HA ALA 37 HA ALA 37 4.209 8.770 -14.106 267 1HB ALA 37 1HB ALA 37 4.944 10.125 -11.516 268 2HB ALA 37 2HB ALA 37 3.485 9.139 -11.640 269 3HB ALA 37 3HB ALA 37 3.677 10.565 -12.662 270 H HIS 38 H HIS 38 7.184 8.677 -12.166 271 HA HIS 38 HA HIS 38 8.399 10.794 -13.795 272 1HB HIS 38 1HB HIS 38 9.842 8.866 -11.964 273 2HB HIS 38 2HB HIS 38 10.361 10.479 -12.455 274 HD1 HIS 38 HD1 HIS 38 9.838 9.520 -9.436 275 HD2 HIS 38 HD2 HIS 38 7.251 11.803 -11.776 276 HE1 HIS 38 HE1 HIS 38 8.334 10.774 -7.828 277 H LEU 39 H LEU 39 9.397 7.410 -13.250 278 HA LEU 39 HA LEU 39 10.985 7.141 -15.555 279 1HB LEU 39 1HB LEU 39 9.207 4.956 -14.443 280 2HB LEU 39 2HB LEU 39 10.724 4.756 -15.318 281 HG LEU 39 HG LEU 39 10.413 6.049 -12.592 282 1HD1 LEU 39 1HD1 LEU 39 11.623 3.407 -13.454 283 2HD1 LEU 39 2HD1 LEU 39 11.678 4.065 -11.819 284 3HD1 LEU 39 3HD1 LEU 39 10.131 3.614 -12.536 285 1HD2 LEU 39 1HD2 LEU 39 12.243 6.938 -14.144 286 2HD2 LEU 39 2HD2 LEU 39 12.796 6.297 -12.597 287 3HD2 LEU 39 3HD2 LEU 39 12.960 5.329 -14.061 288 H ALA 40 H ALA 40 7.730 5.748 -15.276 289 HA ALA 40 HA ALA 40 7.189 5.265 -17.916 290 1HB ALA 40 1HB ALA 40 5.380 4.625 -16.710 291 2HB ALA 40 2HB ALA 40 5.483 6.007 -15.623 292 3HB ALA 40 3HB ALA 40 4.764 6.196 -17.221 293 H VAL 41 H VAL 41 5.991 8.358 -16.482 294 HA VAL 41 HA VAL 41 5.307 9.501 -18.935 295 HB VAL 41 HB VAL 41 6.479 11.020 -16.582 296 1HG1 VAL 41 1HG1 VAL 41 6.204 12.271 -18.743 297 2HG1 VAL 41 2HG1 VAL 41 4.486 11.877 -18.698 298 3HG1 VAL 41 3HG1 VAL 41 5.191 12.888 -17.437 299 1HG2 VAL 41 1HG2 VAL 41 4.406 9.321 -16.370 300 2HG2 VAL 41 2HG2 VAL 41 4.437 10.862 -15.513 301 3HG2 VAL 41 3HG2 VAL 41 3.543 10.712 -17.026 302 H TYR 42 H TYR 42 8.403 10.326 -17.264 303 HA TYR 42 HA TYR 42 9.566 11.734 -19.361 304 1HB TYR 42 1HB TYR 42 11.470 11.620 -18.149 305 2HB TYR 42 2HB TYR 42 10.495 10.753 -16.970 306 HD1 TYR 42 HD1 TYR 42 12.320 10.019 -20.165 307 HD2 TYR 42 HD2 TYR 42 11.355 8.789 -16.178 308 HE1 TYR 42 HE1 TYR 42 13.783 8.024 -20.435 309 HE2 TYR 42 HE2 TYR 42 12.814 6.789 -16.434 310 HH TYR 42 HH TYR 42 15.096 6.475 -18.779 311 H ILE 43 H ILE 43 8.939 8.328 -19.166 312 HA ILE 43 HA ILE 43 10.415 7.705 -21.633 313 HB ILE 43 HB ILE 43 8.708 6.174 -19.688 314 1HG1 ILE 43 1HG1 ILE 43 11.421 5.706 -20.960 315 2HG1 ILE 43 2HG1 ILE 43 11.134 6.344 -19.340 316 1HG2 ILE 43 1HG2 ILE 43 8.892 5.649 -22.576 317 2HG2 ILE 43 2HG2 ILE 43 9.371 4.279 -21.573 318 3HG2 ILE 43 3HG2 ILE 43 7.770 4.995 -21.381 319 1HD1 ILE 43 1HD1 ILE 43 9.724 4.148 -19.029 320 2HD1 ILE 43 2HD1 ILE 43 10.691 3.562 -20.381 321 3HD1 ILE 43 3HD1 ILE 43 11.482 4.079 -18.892 322 H TRP 44 H TRP 44 7.025 6.848 -20.987 323 HA TRP 44 HA TRP 44 6.277 7.573 -23.702 324 1HB TRP 44 1HB TRP 44 4.163 6.554 -23.204 325 2HB TRP 44 2HB TRP 44 5.410 5.538 -22.496 326 HD1 TRP 44 HD1 TRP 44 5.613 8.076 -20.209 327 HE1 TRP 44 HE1 TRP 44 4.024 7.832 -18.188 328 HE3 TRP 44 HE3 TRP 44 2.329 4.692 -22.115 329 HZ2 TRP 44 HZ2 TRP 44 1.660 6.375 -17.487 330 HZ3 TRP 44 HZ3 TRP 44 0.417 3.885 -20.760 331 HH2 TRP 44 HH2 TRP 44 0.078 4.722 -18.450 332 H ARG 45 H ARG 45 7.100 9.822 -22.213 333 HA ARG 45 HA ARG 45 4.986 11.263 -21.009 334 1HB ARG 45 1HB ARG 45 6.862 12.430 -20.557 335 2HB ARG 45 2HB ARG 45 7.692 11.774 -21.960 336 1HG ARG 45 1HG ARG 45 6.255 13.458 -23.331 337 2HG ARG 45 2HG ARG 45 5.970 14.243 -21.776 338 1HD ARG 45 1HD ARG 45 8.232 14.760 -21.485 339 2HD ARG 45 2HD ARG 45 8.757 13.503 -22.607 340 HE ARG 45 HE ARG 45 7.376 15.996 -23.530 341 1HH1 ARG 45 1HH1 ARG 45 7.516 15.252 -25.946 342 2HH1 ARG 45 2HH1 ARG 45 9.154 15.074 -26.478 343 1HH2 ARG 45 1HH2 ARG 45 10.469 15.019 -23.270 344 2HH2 ARG 45 2HH2 ARG 45 10.826 14.942 -24.963 345 1HB PRO 46 1HB PRO 46 5.440 11.998 -27.453 346 2HB PRO 46 2HB PRO 46 6.063 13.367 -26.517 347 1HG PRO 46 1HG PRO 46 7.854 11.984 -26.066 348 2HG PRO 46 2HG PRO 46 6.945 10.524 -26.489 349 1HD PRO 46 1HD PRO 46 6.679 10.152 -24.241 350 2HD PRO 46 2HD PRO 46 7.345 11.746 -23.837 351 H TRP 47 H TRP 47 2.074 12.353 -25.670 352 HA TRP 47 HA TRP 47 1.766 9.687 -26.962 353 1HB TRP 47 1HB TRP 47 0.782 10.528 -24.337 354 2HB TRP 47 2HB TRP 47 -0.522 10.000 -25.402 355 HD1 TRP 47 HD1 TRP 47 3.090 8.699 -24.953 356 HE1 TRP 47 HE1 TRP 47 2.981 6.146 -24.582 357 HE3 TRP 47 HE3 TRP 47 -1.969 8.016 -25.000 358 HZ2 TRP 47 HZ2 TRP 47 1.006 4.091 -24.334 359 HZ3 TRP 47 HZ3 TRP 47 -2.937 5.756 -24.693 360 HH2 TRP 47 HH2 TRP 47 -1.457 3.793 -24.361 361 H PHE 48 H PHE 48 1.501 12.835 -27.402 362 HA PHE 48 HA PHE 48 -1.233 13.241 -28.166 363 1HB PHE 48 1HB PHE 48 1.070 14.806 -27.974 364 2HB PHE 48 2HB PHE 48 0.683 14.817 -29.695 365 HD1 PHE 48 HD1 PHE 48 -2.210 14.650 -29.785 366 HD2 PHE 48 HD2 PHE 48 0.298 16.818 -27.053 367 HE1 PHE 48 HE1 PHE 48 -4.056 16.252 -29.360 368 HE2 PHE 48 HE2 PHE 48 -1.547 18.419 -26.629 369 HZ PHE 48 HZ PHE 48 -3.725 18.137 -27.783 No H/Q in entry = 369
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